From wozniak at ci.uchicago.edu Fri Apr 1 17:41:47 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Fri, 1 Apr 2011 17:41:47 -0500 (CDT) Subject: [Swift-commit] r4237 - test Message-ID: <20110401224147.7748C9CC94@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-01 17:41:47 -0500 (Fri, 01 Apr 2011) New Revision: 4237 Added: test/asciidoc-manual/ Log: Adding From wozniak at ci.uchicago.edu Fri Apr 1 17:43:33 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Fri, 1 Apr 2011 17:43:33 -0500 (CDT) Subject: [Swift-commit] r4238 - test Message-ID: <20110401224333.B4CD29CC94@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-01 17:43:32 -0500 (Fri, 01 Apr 2011) New Revision: 4238 Added: test/manual.txt Log: Import Swift User Guide section 1 Cf. http://www.mcs.anl.gov/~wozniak/manual.html Added: test/manual.txt =================================================================== --- test/manual.txt (rev 0) +++ test/manual.txt 2011-04-01 22:43:32 UTC (rev 4238) @@ -0,0 +1,27 @@ + +Swift User Manual +================= +Swift team +v0.92, March 2011 + +Overview +-------- + +This manual provides reference material for Swift: the SwiftScript +language and the Swift runtime system. For introductory material, +consult the Swift tutorial. + +Swift is a data-oriented coarse grained scripting language that +supports dataset typing and mapping, dataset iteration, conditional +branching, and procedural composition. + +Swift programs (or workflows) are written in a language called +SwiftScript. + +SwiftScript programs are dataflow oriented - they are primarily +concerned with processing (possibly large) collections of data files, +by invoking programs to do that processing. Swift handles execution of +such programs on remote sites by choosing sites, handling the staging +of input and output files to and from the chosen sites and remote +execution of program code. + From wozniak at ci.uchicago.edu Fri Apr 1 17:44:43 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Fri, 1 Apr 2011 17:44:43 -0500 (CDT) Subject: [Swift-commit] r4239 - in test: . asciidoc-manual Message-ID: <20110401224443.945949CC94@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-01 17:44:39 -0500 (Fri, 01 Apr 2011) New Revision: 4239 Added: test/asciidoc-manual/manual.txt Removed: test/manual.txt Log: Put this where it belongs Copied: test/asciidoc-manual/manual.txt (from rev 4238, test/manual.txt) =================================================================== --- test/asciidoc-manual/manual.txt (rev 0) +++ test/asciidoc-manual/manual.txt 2011-04-01 22:44:39 UTC (rev 4239) @@ -0,0 +1,27 @@ + +Swift User Manual +================= +Swift team +v0.92, March 2011 + +Overview +-------- + +This manual provides reference material for Swift: the SwiftScript +language and the Swift runtime system. For introductory material, +consult the Swift tutorial. + +Swift is a data-oriented coarse grained scripting language that +supports dataset typing and mapping, dataset iteration, conditional +branching, and procedural composition. + +Swift programs (or workflows) are written in a language called +SwiftScript. + +SwiftScript programs are dataflow oriented - they are primarily +concerned with processing (possibly large) collections of data files, +by invoking programs to do that processing. Swift handles execution of +such programs on remote sites by choosing sites, handling the staging +of input and output files to and from the chosen sites and remote +execution of program code. + Deleted: test/manual.txt =================================================================== --- test/manual.txt 2011-04-01 22:43:32 UTC (rev 4238) +++ test/manual.txt 2011-04-01 22:44:39 UTC (rev 4239) @@ -1,27 +0,0 @@ - -Swift User Manual -================= -Swift team -v0.92, March 2011 - -Overview --------- - -This manual provides reference material for Swift: the SwiftScript -language and the Swift runtime system. For introductory material, -consult the Swift tutorial. - -Swift is a data-oriented coarse grained scripting language that -supports dataset typing and mapping, dataset iteration, conditional -branching, and procedural composition. - -Swift programs (or workflows) are written in a language called -SwiftScript. - -SwiftScript programs are dataflow oriented - they are primarily -concerned with processing (possibly large) collections of data files, -by invoking programs to do that processing. Swift handles execution of -such programs on remote sites by choosing sites, handling the staging -of input and output files to and from the chosen sites and remote -execution of program code. - From wozniak at ci.uchicago.edu Fri Apr 1 17:51:02 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Fri, 1 Apr 2011 17:51:02 -0500 (CDT) Subject: [Swift-commit] r4240 - test/asciidoc-manual Message-ID: <20110401225102.83C6BFC41@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-01 17:51:01 -0500 (Fri, 01 Apr 2011) New Revision: 4240 Added: test/asciidoc-manual/README.txt Log: Adding Added: test/asciidoc-manual/README.txt =================================================================== --- test/asciidoc-manual/README.txt (rev 0) +++ test/asciidoc-manual/README.txt 2011-04-01 22:51:01 UTC (rev 4240) @@ -0,0 +1,13 @@ + +This is the asciidoc version of the Swift User Guide + +Notes: + +AsciiDoc User Guide: +http://www.methods.co.nz/asciidoc/userguide.html + +Just run: +asciidoc manual.txt +which generates manual.html + +Word-wrap at column 70 via emacs ESC-q (fill-paragraph) From wilde at ci.uchicago.edu Sat Apr 2 08:31:23 2011 From: wilde at ci.uchicago.edu (wilde at ci.uchicago.edu) Date: Sat, 2 Apr 2011 08:31:23 -0500 (CDT) Subject: [Swift-commit] r4241 - www/downloads Message-ID: <20110402133123.AEA45FC41@svn.ci.uchicago.edu> Author: wilde Date: 2011-04-02 08:31:23 -0500 (Sat, 02 Apr 2011) New Revision: 4241 Modified: www/downloads/index.php Log: Updated notice to users about the twice-each bug to clarify that even the 0.92 binary release is bad. Modified: www/downloads/index.php =================================================================== --- www/downloads/index.php 2011-04-01 22:51:01 UTC (rev 4240) +++ www/downloads/index.php 2011-04-02 13:31:23 UTC (rev 4241) @@ -56,7 +56,7 @@

Latest Release

-

WARNING: Code Problem: the source code for the latest release has a known concurrency defect, discovered Mar 29 2011. Please do not use or trust this SVN branch until we post that the problem has been corrected.

+

WARNING: Code Problem: the latest Swift release, 0.92, has a known concurrency defect, discovered Mar 29 2011. Please do not use or trust this release until we post that the problem has been corrected. We suggest you use release 0.91, below, or use 0.92 with caution.

Checkout CoG: From hategan at ci.uchicago.edu Sat Apr 2 14:01:11 2011 From: hategan at ci.uchicago.edu (hategan at ci.uchicago.edu) Date: Sat, 2 Apr 2011 14:01:11 -0500 (CDT) Subject: [Swift-commit] r4242 - in branches/release-0.92: . docs docs/formatting docs/historical etc libexec src/org/griphyn/vdl/karajan src/org/griphyn/vdl/karajan/lib src/org/griphyn/vdl/karajan/lib/cache src/org/griphyn/vdl/karajan/lib/swiftscript src/org/griphyn/vdl/mapping src/org/griphyn/vdl/mapping/file tests tests/groups tests/mpi Message-ID: <20110402190111.9E8DCFC41@svn.ci.uchicago.edu> Author: hategan Date: 2011-04-02 14:01:11 -0500 (Sat, 02 Apr 2011) New Revision: 4242 Removed: branches/release-0.92/src/org/griphyn/vdl/karajan/HangChecker.java branches/release-0.92/src/org/griphyn/vdl/karajan/lib/Stagein.java branches/release-0.92/src/org/griphyn/vdl/karajan/lib/Stageout.java branches/release-0.92/tests/groups/group-mpi.sh branches/release-0.92/tests/groups/group-pc.sh branches/release-0.92/tests/persistent-coasters/ Modified: branches/release-0.92/.classpath branches/release-0.92/build.xml branches/release-0.92/docs/ branches/release-0.92/docs/formatting/ branches/release-0.92/docs/historical/ branches/release-0.92/etc/log4j.properties branches/release-0.92/libexec/_swiftwrap branches/release-0.92/libexec/_swiftwrap.staging branches/release-0.92/libexec/execute-default.k branches/release-0.92/libexec/vdl-int-staging.k branches/release-0.92/libexec/vdl-int.k branches/release-0.92/libexec/vdl-sc.k branches/release-0.92/libexec/vdl.k branches/release-0.92/src/org/griphyn/vdl/karajan/ArrayIndexFutureList.java branches/release-0.92/src/org/griphyn/vdl/karajan/DSHandleFutureWrapper.java branches/release-0.92/src/org/griphyn/vdl/karajan/FuturePairIterator.java branches/release-0.92/src/org/griphyn/vdl/karajan/Loader.java branches/release-0.92/src/org/griphyn/vdl/karajan/Monitor.java branches/release-0.92/src/org/griphyn/vdl/karajan/ScalabilityTest.java branches/release-0.92/src/org/griphyn/vdl/karajan/VDL2ExecutionContext.java branches/release-0.92/src/org/griphyn/vdl/karajan/VDL2FutureException.java branches/release-0.92/src/org/griphyn/vdl/karajan/lib/CacheAddAndLockFile.java branches/release-0.92/src/org/griphyn/vdl/karajan/lib/FileCopier.java branches/release-0.92/src/org/griphyn/vdl/karajan/lib/InfiniteCountingWhile.java branches/release-0.92/src/org/griphyn/vdl/karajan/lib/Log.java branches/release-0.92/src/org/griphyn/vdl/karajan/lib/RuntimeStats.java branches/release-0.92/src/org/griphyn/vdl/karajan/lib/SequentialWithID.java branches/release-0.92/src/org/griphyn/vdl/karajan/lib/ThrottledParallelFor.java branches/release-0.92/src/org/griphyn/vdl/karajan/lib/VDLFunction.java branches/release-0.92/src/org/griphyn/vdl/karajan/lib/cache/File.java branches/release-0.92/src/org/griphyn/vdl/karajan/lib/swiftscript/FileName.java branches/release-0.92/src/org/griphyn/vdl/mapping/AbstractDataNode.java branches/release-0.92/src/org/griphyn/vdl/mapping/DSHandle.java branches/release-0.92/src/org/griphyn/vdl/mapping/file/AbstractFileMapper.java branches/release-0.92/src/org/griphyn/vdl/mapping/file/ArrayFileMapper.java branches/release-0.92/tests/groups/group-all-local.sh branches/release-0.92/tests/meta.sh branches/release-0.92/tests/mpi/ branches/release-0.92/tests/nightly.sh Log: reverted to r4200 Modified: branches/release-0.92/.classpath =================================================================== --- branches/release-0.92/.classpath 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/.classpath 2011-04-02 19:01:11 UTC (rev 4242) @@ -18,6 +18,7 @@ + Modified: branches/release-0.92/build.xml =================================================================== --- branches/release-0.92/build.xml 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/build.xml 2011-04-02 19:01:11 UTC (rev 4242) @@ -366,7 +366,7 @@ - + Swift ${version} Property changes on: branches/release-0.92/docs ___________________________________________________________________ Name: svn:ignore - docbook userguide *.php index.html Property changes on: branches/release-0.92/docs/formatting ___________________________________________________________________ Name: svn:ignore - docbook Property changes on: branches/release-0.92/docs/historical ___________________________________________________________________ Name: svn:ignore - *.php Modified: branches/release-0.92/etc/log4j.properties =================================================================== --- branches/release-0.92/etc/log4j.properties 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/etc/log4j.properties 2011-04-02 19:01:11 UTC (rev 4242) @@ -28,4 +28,5 @@ log4j.logger.org.griphyn.vdl.engine.Karajan=INFO log4j.logger.org.globus.cog.abstraction.coaster.rlog=INFO +# log4j.logger.org.globus.swift.data.Director=DEBUG log4j.logger.org.griphyn.vdl.karajan.lib=INFO Modified: branches/release-0.92/libexec/_swiftwrap =================================================================== --- branches/release-0.92/libexec/_swiftwrap 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/libexec/_swiftwrap 2011-04-02 19:01:11 UTC (rev 4242) @@ -238,7 +238,7 @@ openinfo "$INFOFILE" logstate "LOG_START" -infosection "Wrapper (_swiftwrap)" +infosection "Wrapper" getarg "-e" "$@" EXEC=$VALUE Modified: branches/release-0.92/libexec/_swiftwrap.staging =================================================================== --- branches/release-0.92/libexec/_swiftwrap.staging 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/libexec/_swiftwrap.staging 2011-04-02 19:01:11 UTC (rev 4242) @@ -1,20 +1,5 @@ # this script must be invoked inside of bash, not plain sh -openinfo() { - exec 3<> $1 - INFO=3 -} - -closeinfo() { - exec 3>&- -} - -# Clobbered by SWIFTWRAP_FAST -log() { - echo "$@" >& "$INFO" -} - -# Clobbered by SWIFTWRAP_FAST infosection() { echo >& "$INFO" echo "_____________________________________________________________________________" >& "$INFO" @@ -53,11 +38,14 @@ fi } -# Clobbered by SWIFTWRAP_FAST logstate() { echo "Progress " `date +"%Y-%m-%d %H:%M:%S.%N%z"` " $@" >& "$INFO" } +log() { + echo "$@" >& "$INFO" +} + fail() { EC=$1 shift @@ -89,32 +77,13 @@ fi } -# Clobbered by SWIFTWRAP_FAST -checkMissing() { - MISSING= - for O in $OUTF ; do - if [ ! -f "$O" ]; then - if [ "$MISSING" == "" ]; then - MISSING=$O - else - MISSING="$MISSING, $O" - fi - fi - done - if [ "$MISSING" != "" ]; then - fail 254 "The following output files were not created by the application: $MISSING" - fi -} - checkparamfile() { log "checking for paramfile" if [ "$1" == "-p" ]; then JOBDIR=$2 PARAMFILE=${WFDIR}/parameters/${JOBDIR}/param-${ID} - log "paramfile is: $PARAMFILE" - else - log "no paramfile: using command line arguments" fi + log "paramfile is: $PARAMFILE" } getarg() { @@ -138,6 +107,15 @@ fi } +openinfo() { + exec 3<> $1 + INFO=3 +} + +closeinfo() { + exec 3>&- +} + COMMANDLINE=$@ # make the WFDIR absolute @@ -147,24 +125,13 @@ checkparamfile "$@" -# # SWIFTWRAP_FAST: Turn things off for speed -if [[ $SWIFTWRAP_FAST == "1" ]]; then - shopt -s expand_aliases - alias infosection=: - alias logstate=: - alias log=: - alias checkMissing=: -fi - if [ "X$INFODIR" == "X" ]; then INFODIR="." fi logstate "LOG_START" -infosection "Wrapper (_swiftwrap.staging)" +infosection "Wrapper" -log $COMMANDLINE - getarg "-e" "$@" EXEC=$VALUE shift $SHIFTCOUNT @@ -286,6 +253,7 @@ logstate "EXECUTE" +#ls >>$WRAPPERLOG if [ ! -f "$EXEC" ]; then fail 254 "The executable $EXEC does not exist" fi @@ -322,7 +290,19 @@ logstate "EXECUTE_DONE" log "Job ran successfully" -checkMissing +MISSING= +for O in $OUTF ; do + if [ ! -f "$O" ]; then + if [ "$MISSING" == "" ]; then + MISSING=$O + else + MISSING="$MISSING, $O" + fi + fi +done +if [ "$MISSING" != "" ]; then + fail 254 "The following output files were not created by the application: $MISSING" +fi logstate "END" Modified: branches/release-0.92/libexec/execute-default.k =================================================================== --- branches/release-0.92/libexec/execute-default.k 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/libexec/execute-default.k 2011-04-02 19:01:11 UTC (rev 4242) @@ -1,6 +1,7 @@ element([tr, optional(arguments, stdin, stdout, stderr, deperror, mdeperror), channel(stagein), channel(stageout), channel(restartout)] vdl:initprogressstate() + vdl:setprogress("Initializing") done := isDone(restartout) derr := try(deperror, false) @@ -8,26 +9,31 @@ if( derr == false then( + if(done + vdl:setprogress("Finished in previous run") + ) if( sys:not(done) try( sequential( - log(LOG:INFO, "START thread={#thread} tr={tr}") + log(LOG:INFO, "START thread={#thread} tr={tr}") vdl:setprogress("Selecting site") restartOnError(".*", vdl:configProperty("execution.retries"), replicationChannel := channel() discard(append(replicationChannel, true)) //trigger the first job replicationGroup := uid() parallelFor(i, replicationChannel - ignoreErrors(match = "^Abort$" + try( execute2( tr, maybe(arguments=arguments), maybe(stdin=stdin), maybe(stdout=stdout), maybe(stderr=stderr), stagein, stageout, restartout, replicationGroup, replicationChannel ) + catch("^Abort$") ) ) ) mark(restartout, err=false, mapping=false) + graphStuff(tr, stagein, stageout, err=false, maybe(args=arguments)) log(LOG:INFO, "END_SUCCESS thread={#thread} tr={tr}") vdl:setprogress("Finished successfully") ) @@ -48,9 +54,6 @@ ) ) ) - else ( - vdl:setprogress("Finished in previous run") - ) ) ) else ( Modified: branches/release-0.92/libexec/vdl-int-staging.k =================================================================== --- branches/release-0.92/libexec/vdl-int-staging.k 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/libexec/vdl-int-staging.k 2011-04-02 19:01:11 UTC (rev 4242) @@ -88,6 +88,7 @@ stdout := try(stdout, "stdout.txt") stderr := try(stderr, "stderr.txt") + vdl:setprogress("Stage in") wfdir := "{VDL:SCRIPTNAME}-{VDL:RUNID}" tmpdir := dircat("{wfdir}/jobs/{jobdir}", jobid) cdmfile := cdm:file() @@ -168,7 +169,7 @@ "Host: {rhost}", nl(), "Directory: {tmpdir}", "TODO: outs", nl(), - "- - -", nl() + "----", nl() ) exception ) Modified: branches/release-0.92/libexec/vdl-int.k =================================================================== --- branches/release-0.92/libexec/vdl-int.k 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/libexec/vdl-int.k 2011-04-02 19:01:11 UTC (rev 4242) @@ -256,8 +256,7 @@ if (policy == "DEFAULT" then( restartOnError(".*", 2 task:transfer(srcprovider=provider, srchost=srchost, srcfile=srcfile, - srcdir=srcdir, desthost=desthost, destdir=destdir, - transferParams(srchost, desthost, provider)))) + srcdir=srcdir, desthost=desthost, destdir=destdir))) policy == "BROADCAST" then( log(LOG:DEBUG, "FILE_STAGE_IN_BROADCAST file={srcfile} policy={policy}") cdm:broadcast(srcfile=srcfile, srcdir=srcdir)) @@ -297,8 +296,7 @@ then( restartOnError(".*", 2 task:transfer(srchost=host, srcfile=bname,srcdir=rdir, - destdir=ldir, desthost=dhost, destprovider=provider, - transferParams(host, dhost, provider)))) + destdir=ldir, desthost=dhost, destprovider=provider))) else(log(LOG:DEBUG, "FILE_STAGE_OUT_SKIP srcname={bname}")) ) log(LOG:DEBUG, "FILE_STAGE_OUT_END srcname={bname} srcdir={rdir} srchost={host} ", Modified: branches/release-0.92/libexec/vdl-sc.k =================================================================== --- branches/release-0.92/libexec/vdl-sc.k 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/libexec/vdl-sc.k 2011-04-02 19:01:11 UTC (rev 4242) @@ -32,7 +32,7 @@ major == "4" "GT4" major == "2" "GT2" throw("Unknown job manager version: major = {major}, minor = {minor}, patch = {patch}, url = {url}") - ) + ) service(type="execution", provider=provider, url=url) ) @@ -89,7 +89,7 @@ ) element(surveyorCoasterParams, [optional(averageJobTime, blockSize)] - print("Setting Surveyor coaster params:") + print("Setting Surveyor coaster params:") p("scratch", "/scratch") p("workersPerNode", "4") p("kernelprofile", "zeptoos") Modified: branches/release-0.92/libexec/vdl.k =================================================================== --- branches/release-0.92/libexec/vdl.k 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/libexec/vdl.k 2011-04-02 19:01:11 UTC (rev 4242) @@ -23,9 +23,6 @@ log("info","RUNID id=run:{VDL:RUNID}") echo("RunID: {VDL:RUNID}") ) - - export("stagein", elementDef(classname="org.griphyn.vdl.karajan.lib.Stagein")) - export("stageout", elementDef(classname="org.griphyn.vdl.karajan.lib.Stageout")) export( @@ -59,7 +56,72 @@ ) ) ) - + + element(stagein, [var] + if( + vdl:isFileBound(var) try( + sequential( + fp := vdl:fringePaths(var) + try ( + for(path, fp + vdl:waitFieldValue(path=path, var) + ) +// NOTE this string-based catch is messy, and needs to match with the string used in DataDependentException and VDLFunction + catch(".*errors in data dependencies.*" + log(LOG:DEBUG, exception) + deperror = true + ) + ) + channel:to(stagein, + for(path, fp + vdl:absFileName(vdl:getfield(var, path = path)) + ) + ) + ) + catch(".*not mapped.*" + log(LOG:DEBUG, exception) + mdeperror = true + deperror = true + ) + ) + else( + //we still wait until the primitive value is there + vdl:waitFieldValue(var) + ) + ) + ) + + element(stageout, [var] + try( + if(vdl:isFileBound(var) + channel:to(stageout, + for(path, vdl:fringePaths(var) + list(path, var) + ) + ) + ) + catch(".*not mapped.*" + log(LOG:DEBUG, exception) + mdeperror = true + deperror = true + ) + ) + try( + if(vdl:isRestartable(var) + channel:to(restartout, + for(path, vdl:fringePaths(var) + list(path, var) + ) + ) + ) + catch(".*not mapped.*" + log(LOG:DEBUG, exception) + mdeperror = true + deperror = true + ) + ) + ) + element(mapping, [descriptor, ...] mapping=map(map:entry("descriptor", descriptor), each(...)) ) Modified: branches/release-0.92/src/org/griphyn/vdl/karajan/ArrayIndexFutureList.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/karajan/ArrayIndexFutureList.java 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/src/org/griphyn/vdl/karajan/ArrayIndexFutureList.java 2011-04-02 19:01:11 UTC (rev 4242) @@ -12,13 +12,13 @@ import org.globus.cog.karajan.stack.VariableNotFoundException; import org.globus.cog.karajan.stack.VariableStack; import org.globus.cog.karajan.workflow.ExecutionException; +import org.globus.cog.karajan.workflow.events.Event; +import org.globus.cog.karajan.workflow.events.EventListener; import org.globus.cog.karajan.workflow.events.EventTargetPair; import org.globus.cog.karajan.workflow.futures.FutureEvaluationException; import org.globus.cog.karajan.workflow.futures.FutureIterator; import org.globus.cog.karajan.workflow.futures.FutureList; -import org.globus.cog.karajan.workflow.futures.FutureListener; import org.globus.cog.karajan.workflow.futures.FutureNotYetAvailable; -import org.globus.cog.karajan.workflow.futures.ListenerStackPair; import org.globus.cog.util.CopyOnWriteArrayList; import org.griphyn.vdl.mapping.DSHandle; import org.griphyn.vdl.mapping.DSHandleListener; @@ -27,7 +27,7 @@ private ArrayList keys; private Map values; private boolean closed; - private CopyOnWriteArrayList listeners; + private CopyOnWriteArrayList listeners; private FutureEvaluationException exception; public ArrayIndexFutureList(DSHandle handle, Map values) { @@ -90,13 +90,13 @@ return this; } - public synchronized void addModificationAction(FutureListener target, - VariableStack stack) { + public synchronized void addModificationAction(EventListener target, + Event event) { if (listeners == null) { - listeners = new CopyOnWriteArrayList(); + listeners = new CopyOnWriteArrayList(); } - listeners.add(new ListenerStackPair(target, stack)); + listeners.add(new EventTargetPair(event, target)); if (closed) { notifyListeners(); } @@ -107,12 +107,17 @@ return; } - Iterator i = listeners.iterator(); + Iterator i = listeners.iterator(); try { while (i.hasNext()) { - ListenerStackPair etp = i.next(); - i.remove(); - etp.listener.futureModified(this, etp.stack); + try { + EventTargetPair etp = i.next(); + i.remove(); + etp.getTarget().event(etp.getEvent()); + } + catch (ExecutionException e) { + e.printStackTrace(); + } } } finally { Modified: branches/release-0.92/src/org/griphyn/vdl/karajan/DSHandleFutureWrapper.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/karajan/DSHandleFutureWrapper.java 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/src/org/griphyn/vdl/karajan/DSHandleFutureWrapper.java 2011-04-02 19:01:11 UTC (rev 4242) @@ -6,19 +6,18 @@ import java.util.LinkedList; import org.globus.cog.karajan.stack.VariableNotFoundException; -import org.globus.cog.karajan.stack.VariableStack; +import org.globus.cog.karajan.workflow.events.Event; import org.globus.cog.karajan.workflow.events.EventBus; +import org.globus.cog.karajan.workflow.events.EventListener; import org.globus.cog.karajan.workflow.events.EventTargetPair; import org.globus.cog.karajan.workflow.futures.Future; import org.globus.cog.karajan.workflow.futures.FutureEvaluationException; -import org.globus.cog.karajan.workflow.futures.FutureListener; -import org.globus.cog.karajan.workflow.futures.ListenerStackPair; import org.griphyn.vdl.mapping.DSHandle; import org.griphyn.vdl.mapping.DSHandleListener; public class DSHandleFutureWrapper implements Future, DSHandleListener { private DSHandle handle; - private LinkedList listeners; + private LinkedList listeners; public DSHandleFutureWrapper(DSHandle handle) { this.handle = handle; @@ -43,7 +42,7 @@ } } - public synchronized void addModificationAction(FutureListener target, VariableStack stack) { + public synchronized void addModificationAction(EventListener target, Event event) { /** * TODO So, the strategy is the following: getValue() or something else * throws a future exception; then some entity catches that and calls @@ -53,10 +52,10 @@ * this method and call notifyListeners(). */ if (listeners == null) { - listeners = new LinkedList(); + listeners = new LinkedList(); } - listeners.add(new ListenerStackPair(target, stack)); - WaitingThreadsMonitor.addThread(stack); + listeners.add(new EventTargetPair(event, target)); + WaitingThreadsMonitor.addThread(event.getStack()); if (handle.isClosed()) { notifyListeners(); } @@ -67,13 +66,9 @@ return; } while (!listeners.isEmpty()) { - final ListenerStackPair etp = listeners.removeFirst(); - WaitingThreadsMonitor.removeThread(etp.stack); - EventBus.post(new Runnable() { - public void run() { - etp.listener.futureModified(DSHandleFutureWrapper.this, etp.stack); - } - }); + EventTargetPair etp = (EventTargetPair) listeners.removeFirst(); + WaitingThreadsMonitor.removeThread(etp.getEvent().getStack()); + EventBus.post(etp.getTarget(), etp.getEvent()); } listeners = null; } @@ -97,19 +92,7 @@ } public String toString() { - String l; - if (listeners == null) { - l = "no listeners"; - } - else { - l = listeners.size() + " listeners"; - } - if (!isClosed()) { - return "Open, " + l; - } - else { - return "Closed, " + l; - } + return "F/" + handle; } public void fail(FutureEvaluationException e) { Modified: branches/release-0.92/src/org/griphyn/vdl/karajan/FuturePairIterator.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/karajan/FuturePairIterator.java 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/src/org/griphyn/vdl/karajan/FuturePairIterator.java 2011-04-02 19:01:11 UTC (rev 4242) @@ -5,10 +5,11 @@ import org.globus.cog.karajan.stack.VariableNotFoundException; import org.globus.cog.karajan.stack.VariableStack; +import org.globus.cog.karajan.workflow.events.Event; +import org.globus.cog.karajan.workflow.events.EventListener; import org.globus.cog.karajan.workflow.futures.FutureEvaluationException; import org.globus.cog.karajan.workflow.futures.FutureIterator; import org.globus.cog.karajan.workflow.futures.FutureIteratorIncomplete; -import org.globus.cog.karajan.workflow.futures.FutureListener; import org.globus.cog.karajan.workflow.futures.FutureNotYetAvailable; public class FuturePairIterator implements FutureIterator { @@ -93,9 +94,9 @@ return this; } - public synchronized void addModificationAction(FutureListener target, VariableStack stack) { - WaitingThreadsMonitor.addThread(stack); - array.addModificationAction(target, stack); + public synchronized void addModificationAction(EventListener target, Event event) { + WaitingThreadsMonitor.addThread(event.getStack()); + array.addModificationAction(target, event); } private static volatile int cnt = 0; Deleted: branches/release-0.92/src/org/griphyn/vdl/karajan/HangChecker.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/karajan/HangChecker.java 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/src/org/griphyn/vdl/karajan/HangChecker.java 2011-04-02 19:01:11 UTC (rev 4242) @@ -1,66 +0,0 @@ -//---------------------------------------------------------------------- -//This code is developed as part of the Java CoG Kit project -//The terms of the license can be found at http://www.cogkit.org/license -//This message may not be removed or altered. -//---------------------------------------------------------------------- - -/* - * Created on Mar 6, 2011 - */ -package org.griphyn.vdl.karajan; - -import java.io.ByteArrayOutputStream; -import java.io.PrintStream; -import java.util.Timer; -import java.util.TimerTask; - -import org.apache.log4j.Logger; -import org.globus.cog.karajan.scheduler.LateBindingScheduler; -import org.globus.cog.karajan.stack.VariableStack; -import org.globus.cog.karajan.workflow.ExecutionException; -import org.globus.cog.karajan.workflow.events.EventBus; -import org.globus.cog.karajan.workflow.nodes.grid.SchedulerNode; -import org.griphyn.vdl.karajan.lib.VDLFunction; - -public class HangChecker extends TimerTask { - public static final Logger logger = Logger.getLogger(HangChecker.class); - - public static final int CHECK_INTERVAL = 10000; - private Timer timer; - private long lastEventCount; - private WrapperMap map; - private VariableStack stack; - - public HangChecker(VariableStack stack) throws ExecutionException { - this.stack = stack; - map = VDLFunction.getFutureWrapperMap(stack); - } - - public void start() { - timer = new Timer("Hang checker"); - timer.scheduleAtFixedRate(this, CHECK_INTERVAL, CHECK_INTERVAL); - } - - public void run() { - try { - LateBindingScheduler s = (LateBindingScheduler) stack.getGlobal(SchedulerNode.SCHEDULER); - if (s != null) { - int running = s.getRunning(); - - if (running == 0 && EventBus.eventCount == lastEventCount) { - logger.warn("No events in " + (CHECK_INTERVAL / 1000) + "s."); - ByteArrayOutputStream os = new ByteArrayOutputStream(); - PrintStream ps = new PrintStream(os); - Monitor.dumpVariables(map, ps); - Monitor.dumpThreads(ps); - logger.warn(os.toString()); - ps.close(); - } - } - lastEventCount = EventBus.eventCount; - } - catch (Exception e) { - logger.warn("Exception caught during hang check", e); - } - } -} Modified: branches/release-0.92/src/org/griphyn/vdl/karajan/Loader.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/karajan/Loader.java 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/src/org/griphyn/vdl/karajan/Loader.java 2011-04-02 19:01:11 UTC (rev 4242) @@ -128,10 +128,9 @@ } try { - //Thread.sleep(20000); setupLogging(ap, projectName, runID); logger.debug("Max heap: " + Runtime.getRuntime().maxMemory()); - + if (ap.isPresent(ARG_CDMFILE)) { loadCDM(ap); } @@ -193,8 +192,7 @@ arguments.add("-rlog:resume=" + ap.getStringValue(ARG_RESUME)); } ec.setArguments(arguments); - long start = System.currentTimeMillis(); - new HangChecker(stack).start(); + ec.start(stack); ec.waitFor(); if (ec.isFailed()) { @@ -207,10 +205,10 @@ } if (runerror) { - logger.info("Swift finished with errors"); + logger.debug("Swift finished with errors"); } else { - logger.info("Swift finished with no errors"); + logger.debug("Swift finished with no errors"); } if (ap.isPresent(ARG_TUI)) { ma.close(); Modified: branches/release-0.92/src/org/griphyn/vdl/karajan/Monitor.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/karajan/Monitor.java 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/src/org/griphyn/vdl/karajan/Monitor.java 2011-04-02 19:01:11 UTC (rev 4242) @@ -40,7 +40,6 @@ import org.globus.cog.karajan.workflow.events.EventTargetPair; import org.globus.cog.karajan.workflow.futures.Future; import org.griphyn.vdl.karajan.WrapperMap.FutureWrappers; -import org.griphyn.vdl.mapping.AbstractDataNode; import org.griphyn.vdl.mapping.ArrayDataNode; import org.griphyn.vdl.mapping.DSHandle; import org.griphyn.vdl.mapping.DependentException; @@ -209,12 +208,8 @@ public void dumpVariables() { dumpVariables(System.out); } - - public void dumpVariables(PrintStream ps) { - dumpVariables(map, ps); - } - public static void dumpVariables(WrapperMap map, PrintStream ps) { + public void dumpVariables(PrintStream ps) { ps.println("\nRegistered futures:"); synchronized (map) { Iterator i = map.entrySet().iterator(); @@ -228,7 +223,7 @@ else if (fw.arrayWrapper != null) { f = fw.arrayWrapper; } - AbstractDataNode handle = (AbstractDataNode) en.getKey(); + DSHandle handle = (DSHandle) en.getKey(); String value = "-"; try { if (handle.getValue() != null) { @@ -238,7 +233,8 @@ catch (DependentException e) { value = "Dependent exception"; } - ps.println(handle.getType() + " " + handle.getDisplayableName() + " " + value + " " + f); + ps.println(handle.getType() + " " + handle + " " + value + " " + f + " " + + (handle.isClosed() ? "Closed" : "Open")); } ps.println("----"); } @@ -248,7 +244,7 @@ dumpThreads(System.out); } - public static void dumpThreads(PrintStream pw) { + public void dumpThreads(PrintStream pw) { pw.println("\nWaiting threads:"); Collection c = WaitingThreadsMonitor.getAllThreads(); Iterator i = c.iterator(); @@ -294,10 +290,10 @@ else { EventTargetPair[] l = Monitor.this.getListeners(rowIndex); if (l != null) { - ArrayList a = new ArrayList(); + ArrayList a = new ArrayList(); for (int i = 0; i < l.length; i++) { try { - a.add(ThreadingContext.get(l[i].getEvent())); + a.add(ThreadingContext.get(l[i].getEvent().getStack())); } catch (VariableNotFoundException e) { a.add("unknown"); @@ -371,7 +367,7 @@ try { for (int i = 0; i < l.length; i++) { displayPopup("Stack trace for " + t.getValueAt(row, 1), - Trace.get(l[i].getEvent())); + Trace.get(l[i].getEvent().getStack())); } } catch (NullPointerException ex) { Modified: branches/release-0.92/src/org/griphyn/vdl/karajan/ScalabilityTest.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/karajan/ScalabilityTest.java 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/src/org/griphyn/vdl/karajan/ScalabilityTest.java 2011-04-02 19:01:11 UTC (rev 4242) @@ -15,11 +15,14 @@ import org.globus.cog.karajan.Loader; import org.globus.cog.karajan.arguments.AbstractWriteOnlyVariableArguments; import org.globus.cog.karajan.arguments.VariableArguments; -import org.globus.cog.karajan.stack.VariableStack; import org.globus.cog.karajan.workflow.ElementTree; import org.globus.cog.karajan.workflow.ExecutionContext; import org.globus.cog.karajan.workflow.ExecutionException; +import org.globus.cog.karajan.workflow.events.Event; +import org.globus.cog.karajan.workflow.events.EventClass; import org.globus.cog.karajan.workflow.events.EventListener; +import org.globus.cog.karajan.workflow.events.NotificationEvent; +import org.globus.cog.karajan.workflow.events.NotificationEventType; public class ScalabilityTest { private static volatile int jobsSubmitted, jobsFailed, jobsCompleted, workflowsStarted, @@ -108,14 +111,17 @@ } public static class Listener implements EventListener { - public void completed(VariableStack stack) throws ExecutionException { - workflowsCompleted++; - } - - public void failed(VariableStack stack, ExecutionException e) - throws ExecutionException { - workflowsFailed++; - } + public void event(Event e) throws ExecutionException { + if (e.getEventClass().equals(EventClass.NOTIFICATION_EVENT)) { + NotificationEvent ne = (NotificationEvent) e; + if (ne.getType().equals(NotificationEventType.EXECUTION_COMPLETED)) { + workflowsCompleted++; + } + else if (ne.getType().equals(NotificationEventType.EXECUTION_FAILED)) { + workflowsFailed++; + } + } + } } public static class Monitor { Modified: branches/release-0.92/src/org/griphyn/vdl/karajan/VDL2ExecutionContext.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/karajan/VDL2ExecutionContext.java 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/src/org/griphyn/vdl/karajan/VDL2ExecutionContext.java 2011-04-02 19:01:11 UTC (rev 4242) @@ -7,7 +7,7 @@ import org.globus.cog.karajan.stack.VariableStack; import org.globus.cog.karajan.workflow.ElementTree; import org.globus.cog.karajan.workflow.ExecutionContext; -import org.globus.cog.karajan.workflow.ExecutionException; +import org.globus.cog.karajan.workflow.events.FailureNotificationEvent; import org.griphyn.vdl.karajan.functions.ProcessBulkErrors; public class VDL2ExecutionContext extends ExecutionContext { @@ -24,14 +24,14 @@ this.scriptName = scriptName; } - protected void printFailure(ExecutionException e) { + protected void printFailure(FailureNotificationEvent e) { if (logger.isDebugEnabled()) { - logger.debug(e.getMessage(), e); + logger.debug(e.getFlowElement() + ": " + e.getMessage(), e.getException()); } String msg = e.getMessage(); if (!"Execution completed with errors".equals(msg)) { - if (msg == null) { - msg = getMeaningfulMessage(e); + if (msg == null && e.getException() != null) { + msg = getMeaningfulMessage(e.getException()); } getStderr().append("Execution failed:\n\t"); String translation = VDL2ErrorTranslator.getDefault().translate(msg); @@ -39,7 +39,7 @@ getStderr().append(translation); } else { - getStderr().append(ProcessBulkErrors.getMessageChain(e)); + getStderr().append(ProcessBulkErrors.getMessageChain(e.getException())); } getStderr().append("\n"); } Modified: branches/release-0.92/src/org/griphyn/vdl/karajan/VDL2FutureException.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/karajan/VDL2FutureException.java 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/src/org/griphyn/vdl/karajan/VDL2FutureException.java 2011-04-02 19:01:11 UTC (rev 4242) @@ -3,19 +3,19 @@ */ package org.griphyn.vdl.karajan; -import org.globus.cog.karajan.stack.VariableStack; -import org.globus.cog.karajan.workflow.nodes.FlowElement; +import org.globus.cog.karajan.workflow.events.Event; +import org.globus.cog.karajan.workflow.events.EventListener; import org.griphyn.vdl.mapping.DSHandle; public class VDL2FutureException extends RuntimeException { private final DSHandle handle; - private FlowElement listener; - private VariableStack stack; + private EventListener listener; + private Event event; - public VDL2FutureException(DSHandle handle, FlowElement listener, VariableStack stack) { + public VDL2FutureException(DSHandle handle, EventListener listener, Event event) { this.handle = handle; this.listener = listener; - this.stack = stack; + this.event = event; } public VDL2FutureException(DSHandle handle) { @@ -26,19 +26,19 @@ return handle; } - public VariableStack getStack() { - return stack; + public Event getEvent() { + return event; } - public FlowElement getListener() { + public EventListener getListener() { return listener; } - public void setStack(VariableStack stack) { - this.stack = stack; + public void setEvent(Event event) { + this.event = event; } - public void setListener(FlowElement listener) { + public void setListener(EventListener listener) { this.listener = listener; } } Modified: branches/release-0.92/src/org/griphyn/vdl/karajan/lib/CacheAddAndLockFile.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/karajan/lib/CacheAddAndLockFile.java 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/src/org/griphyn/vdl/karajan/lib/CacheAddAndLockFile.java 2011-04-02 19:01:11 UTC (rev 4242) @@ -7,6 +7,9 @@ import org.globus.cog.karajan.stack.VariableStack; import org.globus.cog.karajan.util.TypeUtil; import org.globus.cog.karajan.workflow.ExecutionException; +import org.globus.cog.karajan.workflow.events.Event; +import org.globus.cog.karajan.workflow.events.NotificationEvent; +import org.globus.cog.karajan.workflow.events.NotificationEventType; import org.globus.cog.karajan.workflow.futures.FutureNotYetAvailable; import org.griphyn.vdl.karajan.lib.cache.CacheReturn; import org.griphyn.vdl.karajan.lib.cache.File; @@ -59,12 +62,18 @@ cache.unlockFromProcessing(f); super.post(stack); } - - - public void failed(VariableStack stack, ExecutionException e) - throws ExecutionException { - VDLFileCache cache = CacheFunction.getCache(stack); - cache.entryRemoved((File) stack.currentFrame().getVar(PFILE)); - super.failed(stack, e); - } + + public void event(Event e) throws ExecutionException { + super.event(e); + } + + protected void notificationEvent(NotificationEvent e) throws ExecutionException { + VariableStack stack = e.getStack(); + if (e.getType().equals(NotificationEventType.EXECUTION_FAILED) + && stack.currentFrame().isDefined(PFILE)) { + VDLFileCache cache = CacheFunction.getCache(stack); + cache.entryRemoved((File) stack.currentFrame().getVar(PFILE)); + } + super.notificationEvent(e); + } } Modified: branches/release-0.92/src/org/griphyn/vdl/karajan/lib/FileCopier.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/karajan/lib/FileCopier.java 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/src/org/griphyn/vdl/karajan/lib/FileCopier.java 2011-04-02 19:01:11 UTC (rev 4242) @@ -27,13 +27,14 @@ import org.globus.cog.abstraction.interfaces.Status; import org.globus.cog.abstraction.interfaces.StatusListener; import org.globus.cog.abstraction.interfaces.TaskHandler; -import org.globus.cog.karajan.stack.VariableStack; import org.globus.cog.karajan.workflow.ExecutionException; +import org.globus.cog.karajan.workflow.events.Event; +import org.globus.cog.karajan.workflow.events.EventBus; +import org.globus.cog.karajan.workflow.events.EventListener; +import org.globus.cog.karajan.workflow.events.EventTargetPair; import org.globus.cog.karajan.workflow.futures.Future; import org.globus.cog.karajan.workflow.futures.FutureEvaluationException; -import org.globus.cog.karajan.workflow.futures.FutureListener; import org.globus.cog.karajan.workflow.futures.FuturesMonitor; -import org.globus.cog.karajan.workflow.futures.ListenerStackPair; import org.griphyn.vdl.mapping.AbsFile; import org.griphyn.vdl.mapping.PhysicalFormat; @@ -41,7 +42,7 @@ private static final TaskHandler fth = new FileTransferTaskHandler(); private FileTransferTask task; - private List actions; + private List actions; private Exception exception; private boolean closed; @@ -64,12 +65,12 @@ task.addStatusListener(this); } - public synchronized void addModificationAction(FutureListener target, - VariableStack stack) { + public synchronized void addModificationAction(EventListener target, + Event event) { if (actions == null) { - actions = new LinkedList(); + actions = new LinkedList(); } - ListenerStackPair etp = new ListenerStackPair(target, stack); + EventTargetPair etp = new EventTargetPair(event, target); if (FuturesMonitor.debug) { FuturesMonitor.monitor.add(etp, this); } @@ -81,21 +82,21 @@ } } - public List getModificationActions() { + public List getModificationActions() { return actions; } private void actions() { if (actions != null) { synchronized (actions) { - java.util.Iterator i = actions.iterator(); + java.util.Iterator i = actions.iterator(); while (i.hasNext()) { - ListenerStackPair etp = i.next(); + EventTargetPair etp = (EventTargetPair) i.next(); if (FuturesMonitor.debug) { FuturesMonitor.monitor.remove(etp); } i.remove(); - etp.listener.futureModified(this, etp.stack); + EventBus.post(etp.getTarget(), etp.getEvent()); } } } Modified: branches/release-0.92/src/org/griphyn/vdl/karajan/lib/InfiniteCountingWhile.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/karajan/lib/InfiniteCountingWhile.java 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/src/org/griphyn/vdl/karajan/lib/InfiniteCountingWhile.java 2011-04-02 19:01:11 UTC (rev 4242) @@ -9,14 +9,14 @@ import java.util.Arrays; import java.util.List; +import org.globus.cog.karajan.util.ThreadingContext; +import org.globus.cog.karajan.workflow.nodes.*; import org.globus.cog.karajan.stack.VariableStack; -import org.globus.cog.karajan.util.ThreadingContext; import org.globus.cog.karajan.util.TypeUtil; import org.globus.cog.karajan.workflow.Condition; import org.globus.cog.karajan.workflow.ExecutionException; -import org.globus.cog.karajan.workflow.nodes.FlowElement; -import org.globus.cog.karajan.workflow.nodes.Sequential; -import org.globus.cog.karajan.workflow.nodes.While; +import org.globus.cog.karajan.workflow.events.Event; +import org.globus.cog.karajan.workflow.events.LoopNotificationEvent; public class InfiniteCountingWhile extends Sequential { public static final String VAR = "##infinitecountingwhile:var"; @@ -59,10 +59,10 @@ if (index >= elementCount()) { // starting new iteration setIndex(stack, 1); - fn = getElement(0); + fn = (FlowElement) getElement(0); String counterName = (String) stack.getVar(VAR); - List l = (List) stack.getVar(counterName); + List l = (List)stack.getVar(counterName); Integer wrappedi = (Integer)l.get(0); int i = wrappedi.intValue(); i++; @@ -71,22 +71,30 @@ stack.setVar(counterName, Arrays.asList(new Integer[] {new Integer(i)})); } else { - fn = getElement(index++); + fn = (FlowElement) getElement(index++); setIndex(stack, index); } startElement(fn, stack); } - - public void failed(VariableStack stack, ExecutionException e) - throws ExecutionException { - if (e instanceof While.Break) { - complete(stack); - return; - } - if (e instanceof While.Continue) { - setIndex(e.getStack(), 0); - startNext(e.getStack()); - return; - } - } + + public void event(Event e) throws ExecutionException { + if (e instanceof LoopNotificationEvent) { + loopNotificationEvent((LoopNotificationEvent) e); + } + else { + super.event(e); + } + } + + protected void loopNotificationEvent(LoopNotificationEvent e) throws ExecutionException { + if (e.getType() == LoopNotificationEvent.BREAK) { + complete(e.getStack()); + return; + } + else if (e.getType() == LoopNotificationEvent.CONTINUE) { + setIndex(e.getStack(), 0); + startNext(e.getStack()); + return; + } + } } Modified: branches/release-0.92/src/org/griphyn/vdl/karajan/lib/Log.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/karajan/lib/Log.java 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/src/org/griphyn/vdl/karajan/lib/Log.java 2011-04-02 19:01:11 UTC (rev 4242) @@ -69,7 +69,7 @@ else { cls = "unknown"; } - Level lvl = getLevel((String) LEVEL.getValue(stack)); + Level lvl = getLevel(TypeUtil.toString(LEVEL.getValue(stack))); Logger logger = getLogger(cls); if (logger.isEnabledFor(lvl)) { Object smsg = MESSAGE.getValue(stack); @@ -78,7 +78,7 @@ } else { Object[] msg = Arg.VARGS.asArray(stack); - StringBuilder sb = new StringBuilder(); + StringBuffer sb = new StringBuffer(); for (int i = 0; i < msg.length; i++) { sb.append(TypeUtil.toString(msg[i])); } Modified: branches/release-0.92/src/org/griphyn/vdl/karajan/lib/RuntimeStats.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/karajan/lib/RuntimeStats.java 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/src/org/griphyn/vdl/karajan/lib/RuntimeStats.java 2011-04-02 19:01:11 UTC (rev 4242) @@ -1,8 +1,10 @@ package org.griphyn.vdl.karajan.lib; import java.io.IOException; +import java.util.ArrayList; import java.util.HashMap; import java.util.Iterator; +import java.util.List; import java.util.Map; import org.globus.cog.karajan.arguments.Arg; @@ -11,7 +13,6 @@ import org.globus.cog.karajan.util.TypeUtil; import org.globus.cog.karajan.workflow.ExecutionException; import org.globus.cog.karajan.workflow.nodes.functions.FunctionsCollection; -import org.globus.cog.util.CopyOnWriteArrayList; import org.griphyn.vdl.util.VDL2Config; /** this is an icky class that does too much with globals, but is for @@ -88,9 +89,10 @@ public Object vdl_initprogressstate(VariableStack stack) throws ExecutionException { RuntimeProgress rp = new RuntimeProgress(); ProgressTicker p = getTicker(stack); - p.states.add(rp); + synchronized (p.states) { + p.states.add(rp); + } setProgress(stack, rp); - rp.status = "Initializing"; p.dumpState(); return null; } @@ -105,10 +107,8 @@ static public class ProgressTicker extends Thread { - CopyOnWriteArrayList states = - new CopyOnWriteArrayList(); + List states = new ArrayList(); - long start; long lastDumpTime = 0; private boolean disabled; private boolean shutdown; @@ -124,7 +124,6 @@ catch (IOException e) { logger.debug("Could not read swift properties", e); } - start = System.currentTimeMillis(); } public void run() { @@ -163,51 +162,48 @@ printStates("Final status:"); } - public Map getSummary() { - Map summary = new HashMap(); - Iterator stateIterator = states.iterator(); - try { + public Map getSummary() { + Map summary = new HashMap(); + synchronized(states) { + Iterator stateIterator = states.iterator(); + // summarize details of known states into summary, with // one entry per state type, storing the number of // jobs in that state. while(stateIterator.hasNext()) { - String key = stateIterator.next().status; - Integer count = summary.get(key); - if (count == null) { - summary.put(key, 1); - } - else { - summary.put(key, count + 1); + String key = ((RuntimeProgress)stateIterator.next()).status; + Integer count = (Integer) summary.get(key); + if(count == null) { + summary.put(key,new Integer(1)); + } else { + summary.put(key,new Integer(count.intValue()+1)); } } } - finally { - states.release(); - } return summary; } void printStates(String header) { - Map summary = getSummary(); + Map summary = getSummary(); // output the results of summarization, in a relatively // pretty form - first the preferred order listed elements, // and then anything remaining System.err.print(header); - System.err.print(" time:" + (System.currentTimeMillis() - start)); - for (int pos = 0; pos < preferredOutputOrder.length; pos++) { + for(int pos = 0; pos < preferredOutputOrder.length; pos++) { String key = preferredOutputOrder[pos]; Object value = summary.get(key); - if(value != null) { - System.err.print(" " + key + ":" + value); - } + if(value != null) + System.err.print(" "+key+":"+value); summary.remove(key); } - for (Map.Entry s : summary.entrySet()) { - System.err.print(" " + s.getKey() + ":" + s.getValue()); + Iterator summaryIterator = summary.keySet().iterator(); + while(summaryIterator.hasNext()) { + Object key = summaryIterator.next(); + System.err.print(" "+key+":"+summary.get(key)); } - System.err.println(); + System.err.println(""); } } Modified: branches/release-0.92/src/org/griphyn/vdl/karajan/lib/SequentialWithID.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/karajan/lib/SequentialWithID.java 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/src/org/griphyn/vdl/karajan/lib/SequentialWithID.java 2011-04-02 19:01:11 UTC (rev 4242) @@ -13,7 +13,7 @@ public class SequentialWithID extends Sequential { protected void executeChildren(VariableStack stack) throws ExecutionException { - ThreadingContext tc = (ThreadingContext) stack.getVar("#thread"); + ThreadingContext tc = (ThreadingContext)stack.getVar("#thread"); stack.setVar("#thread", tc.split(1)); super.executeChildren(stack); } Deleted: branches/release-0.92/src/org/griphyn/vdl/karajan/lib/Stagein.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/karajan/lib/Stagein.java 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/src/org/griphyn/vdl/karajan/lib/Stagein.java 2011-04-02 19:01:11 UTC (rev 4242) @@ -1,105 +0,0 @@ -/* - * Created on Jan 5, 2007 - */ -package org.griphyn.vdl.karajan.lib; - -import java.util.Collection; - -import org.apache.log4j.Logger; -import org.globus.cog.karajan.arguments.Arg; -import org.globus.cog.karajan.arguments.ArgUtil; -import org.globus.cog.karajan.arguments.NamedArguments; -import org.globus.cog.karajan.arguments.Arg.Channel; -import org.globus.cog.karajan.stack.VariableStack; -import org.globus.cog.karajan.workflow.ExecutionException; -import org.globus.cog.karajan.workflow.futures.FutureNotYetAvailable; -import org.griphyn.vdl.mapping.AbstractDataNode; -import org.griphyn.vdl.mapping.DSHandle; -import org.griphyn.vdl.mapping.DependentException; -import org.griphyn.vdl.mapping.HandleOpenException; -import org.griphyn.vdl.mapping.InvalidPathException; -import org.griphyn.vdl.mapping.MappingDependentException; -import org.griphyn.vdl.mapping.Path; - -public class Stagein extends VDLFunction { - public static final Logger logger = Logger.getLogger(Stagein.class); - - public static final Arg VAR = new Arg.Positional("var"); - - public static final Channel STAGEIN = new Channel("stagein"); - - static { - setArguments(Stagein.class, new Arg[] { VAR }); - } - - private boolean isPrimitive(DSHandle var) { - return (var instanceof AbstractDataNode && ((AbstractDataNode) var) - .isPrimitive()); - } - - private void waitFor(DSHandle var, VariableStack stack) - throws ExecutionException { - synchronized (var) { - if (!var.isClosed()) { - if (logger.isDebugEnabled()) { - logger.debug("Waiting for " + var); - } - throw new FutureNotYetAvailable(addFutureListener(stack, var)); - } - else { - Object v = var.getValue(); - if (logger.isDebugEnabled()) { - logger.debug("Do not need to wait for " + - var + " as it is closed and has value " + v + - (v != null ? " with class " + v.getClass() : "")); - } - if (v != null && v instanceof RuntimeException) { - throw (RuntimeException) v; - } - } - } - } - - protected Object function(VariableStack stack) throws ExecutionException { - DSHandle var = (DSHandle) VAR.getValue(stack); - if (!isPrimitive(var)) { - boolean deperr = false; - boolean mdeperr = false; - try { - Collection fp = var.getFringePaths(); - try { - for (Path p : fp) { - waitFor(var.getField(p), stack); - } - } - catch (DependentException e) { - deperr = true; - } - for (Path p : fp) { - STAGEIN.ret(stack, filename(stack, var.getField(p))[0]); - } - } - catch (MappingDependentException e) { - logger.debug(e); - deperr = true; - mdeperr = true; - } - catch (HandleOpenException e) { - throw new FutureNotYetAvailable(addFutureListener(stack, e.getSource())); - } - catch (InvalidPathException e) { - throw new ExecutionException(e); - } - if (deperr || mdeperr) { - NamedArguments named = ArgUtil.getNamedReturn(stack); - named.add("deperror", deperr); - named.add("mdeperror", mdeperr); - } - } - else { - // we still wait until the primitive value is there - waitFor(var, stack); - } - return null; - } -} Deleted: branches/release-0.92/src/org/griphyn/vdl/karajan/lib/Stageout.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/karajan/lib/Stageout.java 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/src/org/griphyn/vdl/karajan/lib/Stageout.java 2011-04-02 19:01:11 UTC (rev 4242) @@ -1,90 +0,0 @@ -/* - * Created on Jan 5, 2007 - */ -package org.griphyn.vdl.karajan.lib; - -import java.util.ArrayList; -import java.util.Collection; -import java.util.List; - -import org.apache.log4j.Logger; -import org.globus.cog.karajan.arguments.Arg; -import org.globus.cog.karajan.arguments.ArgUtil; -import org.globus.cog.karajan.arguments.NamedArguments; -import org.globus.cog.karajan.arguments.Arg.Channel; -import org.globus.cog.karajan.stack.VariableNotFoundException; -import org.globus.cog.karajan.stack.VariableStack; -import org.globus.cog.karajan.workflow.ExecutionException; -import org.globus.cog.karajan.workflow.futures.FutureNotYetAvailable; -import org.griphyn.vdl.mapping.AbstractDataNode; -import org.griphyn.vdl.mapping.DSHandle; -import org.griphyn.vdl.mapping.HandleOpenException; -import org.griphyn.vdl.mapping.InvalidPathException; -import org.griphyn.vdl.mapping.MappingDependentException; -import org.griphyn.vdl.mapping.Path; - -public class Stageout extends VDLFunction { - public static final Logger logger = Logger.getLogger(Stageout.class); - - public static final Arg VAR = new Arg.Positional("var"); - - public static final Channel STAGEOUT = new Channel("stageout"); - public static final Channel RESTARTOUT = new Channel("restartout"); - - static { - setArguments(Stageout.class, new Arg[] { VAR }); - } - - private boolean isPrimitive(DSHandle var) { - return (var instanceof AbstractDataNode && ((AbstractDataNode) var) - .isPrimitive()); - } - - private List list(Path p, DSHandle var) { - ArrayList l = new ArrayList(2); - l.add(p); - l.add(var); - return l; - } - - protected Object function(VariableStack stack) throws ExecutionException { - DSHandle var = (DSHandle) VAR.getValue(stack); - boolean deperr = false; - boolean mdeperr = false; - try { - if (!isPrimitive(var)) { - retPaths(STAGEOUT, stack, var); - } - else if (var.isRestartable()) { - retPaths(RESTARTOUT, stack, var); - } - } - catch (MappingDependentException e) { - logger.debug(e); - deperr = true; - mdeperr = true; - } - if (deperr || mdeperr) { - NamedArguments named = ArgUtil.getNamedReturn(stack); - named.add("deperror", deperr); - named.add("mdeperror", mdeperr); - } - return null; - } - - private void retPaths(Channel channel, VariableStack stack, DSHandle var) throws ExecutionException { - try { - Collection fp = var.getFringePaths(); - for (Path p : fp) { - channel.ret(stack, list(p, var.getField(p))); - } - } - catch (HandleOpenException e) { - throw new FutureNotYetAvailable(addFutureListener(stack, e - .getSource())); - } - catch (InvalidPathException e) { - throw new ExecutionException(e); - } - } -} Modified: branches/release-0.92/src/org/griphyn/vdl/karajan/lib/ThrottledParallelFor.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/karajan/lib/ThrottledParallelFor.java 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/src/org/griphyn/vdl/karajan/lib/ThrottledParallelFor.java 2011-04-02 19:01:11 UTC (rev 4242) @@ -23,12 +23,15 @@ import org.globus.cog.karajan.util.ThreadingContext; import org.globus.cog.karajan.util.TypeUtil; import org.globus.cog.karajan.workflow.ExecutionException; +import org.globus.cog.karajan.workflow.events.Event; +import org.globus.cog.karajan.workflow.events.EventBus; +import org.globus.cog.karajan.workflow.events.EventListener; +import org.globus.cog.karajan.workflow.events.EventTargetPair; +import org.globus.cog.karajan.workflow.events.FutureNotificationEvent; import org.globus.cog.karajan.workflow.futures.FutureEvaluationException; import org.globus.cog.karajan.workflow.futures.FutureFault; import org.globus.cog.karajan.workflow.futures.FutureIterator; import org.globus.cog.karajan.workflow.futures.FutureIteratorIncomplete; -import org.globus.cog.karajan.workflow.futures.FutureListener; -import org.globus.cog.karajan.workflow.futures.ListenerStackPair; import org.globus.cog.karajan.workflow.nodes.AbstractParallelIterator; import org.griphyn.vdl.util.VDL2Config; @@ -65,6 +68,7 @@ stack.setVar(VAR, var); setChildFailed(stack, false); stack.setCaller(this); + initializeChannelBuffers(stack); initThreadCount(stack, TypeUtil.toBoolean(stack.currentFrame().getVar("selfclose")), i); stack.currentFrame().deleteVar("selfclose"); citerate(stack, var, i); @@ -77,28 +81,7 @@ protected void citerate(VariableStack stack, Identifier var, KarajanIterator i) throws ExecutionException { ThreadCount tc = getThreadCount(stack); - - // we can bulk operations at the start to avoid contention - // on the counter since at least as many - // threads as reported by available() are available - int available = tc.available(); try { - int j = 0; - try { - for (; j < available && i.hasNext(); j++) { - VariableStack copy = stack.copy(); - copy.enter(); - ThreadingContext.set(copy, ThreadingContext.get(copy).split( - i.current())); - setIndex(copy, getArgCount()); - setArgsDone(copy); - copy.setVar(var.getName(), i.next()); - startElement(getArgCount(), copy); - } - } - finally { - tc.add(j); - } while (i.hasNext()) { Object value = tc.tryIncrement(); VariableStack copy = stack.copy(); @@ -108,6 +91,7 @@ setIndex(copy, getArgCount()); setArgsDone(copy); copy.setVar(var.getName(), value); + addChannelBuffers(copy); startElement(getArgCount(), copy); } @@ -122,24 +106,17 @@ } } catch (FutureIteratorIncomplete fii) { - synchronized (stack.currentFrame()) { - stack.setVar(ITERATOR, i); - } - fii.getFutureIterator().addModificationAction(this, stack); + stack.setVar(ITERATOR, i); + fii.getFutureIterator().addModificationAction( + this, + new FutureNotificationEvent(ITERATE, this, fii + .getFutureIterator(), stack)); } } - - public void failed(VariableStack stack, ExecutionException e) throws ExecutionException { - if (!testAndSetChildFailed(stack)) { - if (stack.parentFrame().isDefined(VAR)) { - stack.leave(); - } - failImmediately(stack, e); - } - } protected void iterationCompleted(VariableStack stack) throws ExecutionException { + closeBuffers(stack); stack.leave(); ThreadCount tc = getThreadCount(stack); int running; @@ -179,7 +156,7 @@ private int maxThreadCount; private int crt; private boolean selfClose, closed; - private List listeners; + private List listeners; private KarajanIterator i; public ThreadCount(int maxThreadCount, boolean selfClose, KarajanIterator i) { @@ -201,14 +178,6 @@ public boolean isSelfClose() { return selfClose; } - - public synchronized int available() { - return maxThreadCount - crt; - } - - public synchronized void add(int count) { - crt += count; - } public synchronized Object tryIncrement() { // there is no way that both crt == 0 and i has no values outside this critical section @@ -230,12 +199,11 @@ private void notifyListeners() { if (listeners != null) { - Iterator i = listeners.iterator(); - listeners = null; + Iterator i = listeners.iterator(); while (i.hasNext()) { - ListenerStackPair etp = i.next(); + EventTargetPair etp = (EventTargetPair) i.next(); i.remove(); - etp.listener.futureModified(this, etp.stack); + EventBus.post(etp.getTarget(), etp.getEvent()); } } } @@ -267,12 +235,12 @@ public void remove() { } - public synchronized void addModificationAction(FutureListener target, - VariableStack stack) { + public synchronized void addModificationAction(EventListener target, + Event event) { if (listeners == null) { - listeners = new ArrayList(); + listeners = new ArrayList(); } - listeners.add(new ListenerStackPair(target, stack)); + listeners.add(new EventTargetPair(event, target)); if (crt < maxThreadCount) { notifyListeners(); } Modified: branches/release-0.92/src/org/griphyn/vdl/karajan/lib/VDLFunction.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/karajan/lib/VDLFunction.java 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/src/org/griphyn/vdl/karajan/lib/VDLFunction.java 2011-04-02 19:01:11 UTC (rev 4242) @@ -90,9 +90,9 @@ } else { Object[] array = (Object[]) value; - for (int i = 0; i < array.length; i++) { - vret.append(array[i]); - } + for (int i = 0; i < array.length; i++) { + vret.append(array[i]); + } } } else { @@ -376,7 +376,7 @@ public static final String VDL_FUTURE_WRAPPER_MAP = "#vdl:futureWrapperMap"; - public static WrapperMap getFutureWrapperMap(VariableStack stack) throws ExecutionException { + protected static WrapperMap getFutureWrapperMap(VariableStack stack) throws ExecutionException { synchronized (stack.getExecutionContext()) { WrapperMap hash = (WrapperMap) stack.firstFrame().getVar(VDL_FUTURE_WRAPPER_MAP); if (hash == null) { Modified: branches/release-0.92/src/org/griphyn/vdl/karajan/lib/cache/File.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/karajan/lib/cache/File.java 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/src/org/griphyn/vdl/karajan/lib/cache/File.java 2011-04-02 19:01:11 UTC (rev 4242) @@ -7,12 +7,13 @@ import java.util.LinkedList; import java.util.List; -import org.globus.cog.karajan.stack.VariableStack; import org.globus.cog.karajan.workflow.ExecutionException; +import org.globus.cog.karajan.workflow.events.Event; +import org.globus.cog.karajan.workflow.events.EventBus; +import org.globus.cog.karajan.workflow.events.EventListener; +import org.globus.cog.karajan.workflow.events.EventTargetPair; import org.globus.cog.karajan.workflow.futures.Future; import org.globus.cog.karajan.workflow.futures.FutureEvaluationException; -import org.globus.cog.karajan.workflow.futures.FutureListener; -import org.globus.cog.karajan.workflow.futures.ListenerStackPair; public class File implements Future { private String path; @@ -20,7 +21,7 @@ private long size, lastAccess; private int locked; private boolean processingLock; - private List listeners; + private List listeners; public File(String file, String dir, Object host, long size) { if (dir.endsWith("/")) { @@ -150,20 +151,20 @@ public void notifyListeners() { if (listeners != null) { - Iterator i = listeners.iterator(); + Iterator i = listeners.iterator(); while (i.hasNext()) { - ListenerStackPair etp = i.next(); + EventTargetPair etp = (EventTargetPair) i.next(); i.remove(); - etp.listener.futureModified(this, etp.stack); + EventBus.post(etp.getTarget(), etp.getEvent()); } } } - public synchronized void addModificationAction(FutureListener target, VariableStack stack) { + public synchronized void addModificationAction(EventListener target, Event event) { if (listeners == null) { - listeners = new LinkedList(); + listeners = new LinkedList(); } - listeners.add(new ListenerStackPair(target, stack)); + listeners.add(new EventTargetPair(event, target)); if (isClosed()) { notifyListeners(); } Modified: branches/release-0.92/src/org/griphyn/vdl/karajan/lib/swiftscript/FileName.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/karajan/lib/swiftscript/FileName.java 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/src/org/griphyn/vdl/karajan/lib/swiftscript/FileName.java 2011-04-02 19:01:11 UTC (rev 4242) @@ -20,8 +20,8 @@ String s = argList(filename(stack), true); DSHandle result = RootDataNode.newNode(Types.STRING, s); int provid = VDLFunction.nextProvenanceID(); - //VDLFunction.logProvenanceParameter(provid, (DSHandle) PA_VAR.getValue(stack), "input"); - //VDLFunction.logProvenanceResult(provid, result, "filename"); + VDLFunction.logProvenanceParameter(provid, (DSHandle) PA_VAR.getValue(stack), "input"); + VDLFunction.logProvenanceResult(provid, result, "filename"); return result; } catch(VDL2FutureException ve) { synchronized(ve.getHandle().getRoot()) { Modified: branches/release-0.92/src/org/griphyn/vdl/mapping/AbstractDataNode.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/mapping/AbstractDataNode.java 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/src/org/griphyn/vdl/mapping/AbstractDataNode.java 2011-04-02 19:01:11 UTC (rev 4242) @@ -535,7 +535,7 @@ } } - public Path getPathFromRoot() { + public synchronized Path getPathFromRoot() { if (pathFromRoot == null) { AbstractDataNode parent = (AbstractDataNode) this.getParent(); Path myPath; Modified: branches/release-0.92/src/org/griphyn/vdl/mapping/DSHandle.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/mapping/DSHandle.java 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/src/org/griphyn/vdl/mapping/DSHandle.java 2011-04-02 19:01:11 UTC (rev 4242) @@ -65,7 +65,7 @@ public void closeDeep(); - public Collection getFringePaths() throws HandleOpenException; + public Collection getFringePaths() throws HandleOpenException; public Map getArrayValue(); Modified: branches/release-0.92/src/org/griphyn/vdl/mapping/file/AbstractFileMapper.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/mapping/file/AbstractFileMapper.java 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/src/org/griphyn/vdl/mapping/file/AbstractFileMapper.java 2011-04-02 19:01:11 UTC (rev 4242) @@ -9,8 +9,8 @@ import java.util.Map; import org.apache.log4j.Logger; + import org.griphyn.vdl.mapping.AbsFile; -import org.griphyn.vdl.mapping.AbstractDataNode; import org.griphyn.vdl.mapping.AbstractMapper; import org.griphyn.vdl.mapping.InvalidMappingParameterException; import org.griphyn.vdl.mapping.MappingParam; @@ -200,16 +200,10 @@ if(logger.isDebugEnabled()) { logger.debug("Finish list existing paths for mapper "+this.hashCode()+" list="+l); } - System.out.println(getVarName() + " (input): found " + l.size() + " files"); return l; } - private String getVarName() { - AbstractDataNode var = (AbstractDataNode) getParam("handle"); - return var == null ? "" : var.getDisplayableName(); - } - - /** Returns the SwiftScript path for a supplied filename. + /** Returns the SwiftScript path for a supplied filename. * * Splits the filename into components using the separator * supplied by the relevant FileNameElementMapper. Modified: branches/release-0.92/src/org/griphyn/vdl/mapping/file/ArrayFileMapper.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/mapping/file/ArrayFileMapper.java 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/src/org/griphyn/vdl/mapping/file/ArrayFileMapper.java 2011-04-02 19:01:11 UTC (rev 4242) @@ -60,6 +60,6 @@ } public boolean isStatic() { - return true; + return false; } } Modified: branches/release-0.92/tests/groups/group-all-local.sh =================================================================== --- branches/release-0.92/tests/groups/group-all-local.sh 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/tests/groups/group-all-local.sh 2011-04-02 19:01:11 UTC (rev 4242) @@ -11,5 +11,3 @@ $TESTDIR/cdm/ps/pinned # $TESTDIR/site/intrepid ) - -checkvars WORK Deleted: branches/release-0.92/tests/groups/group-mpi.sh =================================================================== --- branches/release-0.92/tests/groups/group-mpi.sh 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/tests/groups/group-mpi.sh 2011-04-02 19:01:11 UTC (rev 4242) @@ -1,6 +0,0 @@ - -# GROUPLIST definition to run local MPI test - -GROUPLIST=( $TESTDIR/mpi ) - -checkvars WORK Deleted: branches/release-0.92/tests/groups/group-pc.sh =================================================================== --- branches/release-0.92/tests/groups/group-pc.sh 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/tests/groups/group-pc.sh 2011-04-02 19:01:11 UTC (rev 4242) @@ -1,6 +0,0 @@ - -# GROUPLIST definition to run persistent coasters tests - -GROUPLIST=( $TESTDIR/persistent-coasters ) - -checkvars WORK Modified: branches/release-0.92/tests/meta.sh =================================================================== --- branches/release-0.92/tests/meta.sh 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/tests/meta.sh 2011-04-02 19:01:11 UTC (rev 4242) @@ -14,5 +14,3 @@ ssh $SITE_LOGIN $DIR/run-nightly.sh $DIR/$TEST scp -r $SITE_LOGIN:$RUNDIR . - -exit 0 Property changes on: branches/release-0.92/tests/mpi ___________________________________________________________________ Name: svn:ignore - mpi-cp Modified: branches/release-0.92/tests/nightly.sh =================================================================== --- branches/release-0.92/tests/nightly.sh 2011-04-02 13:31:23 UTC (rev 4241) +++ branches/release-0.92/tests/nightly.sh 2011-04-02 19:01:11 UTC (rev 4242) @@ -79,19 +79,6 @@ # via make_sites_sed() -> group_sites_xml() # Note that some schedulers restrict your choice of RUNDIR -# NAMING -# Site-specific test groups are in providers/ . -# These are named: -# providers// -# or: -# providers// -# E.g., providers/local-pbs/PADS - -# WARNINGS -# nightly.sh uses shopt - -shopt -s nullglob - printhelp() { echo "nightly.sh " echo "" @@ -170,7 +157,7 @@ HTML_COMMENTS=1 fi -# Iterations per test (may want to run each test multiple times?) +# Iterations ITERS_LOCAL=1 LOGCOUNT=0 @@ -192,7 +179,7 @@ SCRIPTDIR=$( cd $( dirname $0 ) ; /bin/pwd ) -TESTCOUNT=0 +SWIFTCOUNT=0 echo "RUNNING_IN: $RUNDIR" echo "HTML_OUTPUT: $HTML" @@ -477,7 +464,7 @@ start_row() { html_tr testline html_td align right width 50 - html "$TESTCOUNT" + html "$SWIFTCOUNT" html " " html_~td html_td align right @@ -658,7 +645,7 @@ TIMEOUT=$2 # seconds OUTPUT=$3 - V=$TESTCOUNT + V=$SWIFTCOUNT # Use background so kill/trap is immediate sleep $TIMEOUT > /dev/null 2>&1 & @@ -763,7 +750,7 @@ CDM= [ -r fs.data ] && CDM="-cdm.file fs.data" - (( TESTCOUNT++ )) + (( SWIFTCOUNT++ )) TIMEOUT=$( gettimeout $GROUP/$TIMEOUTFILE ) @@ -786,40 +773,6 @@ fi } -# Execute shell test case w/ setup, check, clean -script_test_case() { - SHELLSCRIPT=$1 - SETUPSCRIPT=${SHELLSCRIPT%.test.sh}.setup.sh - CHECKSCRIPT=${SHELLSCRIPT%.test.sh}.check.sh - CLEANSCRIPT=${SHELLSCRIPT%.test.sh}.clean.sh - TIMEOUTFILE=${SHELLSCRIPT%.test.sh}.timeout - - TEST_SHOULD_FAIL=0 - if [ -x $GROUP/$SETUPSCRIPT ]; then - script_exec $GROUP/$SETUPSCRIPT "S" - fi - - (( TESTCOUNT++ )) - - # Not using background for script tests yet - # TIMEOUT=$( gettimeout $GROUP/$TIMEOUTFILE ) - - if [ -x $GROUP/$SETUPSCRIPT ]; then - script_exec $GROUP/$SETUPSCRIPT "S" - fi - - if [ -x $GROUP/$SHELLSCRIPT ]; then - script_exec $SHELLSCRIPT "X" - fi - - if [ -x $GROUP/$CHECKSCRIPT ]; then - script_exec $GROUP/$CHECKSCRIPT "√" - fi - if [ -x $GROUP/$CLEANSCRIPT ]; then - script_exec $GROUP/$CLEANSCRIPT "C" - fi -} - # All timeouts in this script are in seconds gettimeout() { FILE=$1 @@ -873,12 +826,12 @@ } # Setup coasters variables -if which ifconfig > /dev/null 2>&1; then +if which ifconfig > /dev/null; then IFCONFIG=ifconfig else IFCONFIG=/sbin/ifconfig fi -$IFCONFIG > /dev/null 2>&1 || crash "Cannot run ifconfig!" +$IFCONFIG > /dev/null || crash "Cannot run ifconfig!" GLOBUS_HOSTNAME=$( $IFCONFIG | grep inet | head -1 | cut -d ':' -f 2 | \ awk '{print $1}' ) [ $? != 0 ] && crash "Could not obtain GLOBUS_HOSTNAME!" @@ -948,49 +901,26 @@ group_fs_data group_swift_properties - SWIFTS=$( echo $GROUP/*.swift ) - checkfail "Could not list: $GROUP" + SWIFTS=$( ls $GROUP/*.swift ) + checkfail "Could not ls: $GROUP" for TEST in $SWIFTS; do (( SKIP_COUNTER++ < SKIP_TESTS )) && continue - TESTNAME=$( basename $TEST ) + TESTNAME=$( basename $TEST) cp -v $GROUP/$TESTNAME . TESTLINK=$TESTNAME start_row - for (( i=0; $i<$ITERS_LOCAL; i=$i+1 )); do + for ((i=0; $i<$ITERS_LOCAL; i=$i+1)); do swift_test_case $TESTNAME - (( $TESTCOUNT >= $NUMBER_OF_TESTS )) && return + (( $SWIFTCOUNT >= $NUMBER_OF_TESTS )) && return done end_row done - - SCRIPTS=$( echo $GROUP/*.test.sh ) - checkfail "Could not list: $GROUP" - for TEST in $SCRIPTS; do - - (( SKIP_COUNTER++ < SKIP_TESTS )) && continue - - TESTNAME=$( basename $TEST ) - cp -v $GROUP/$TESTNAME . - TESTLINK=$TESTNAME - - start_row - for ((i=0; $i<$ITERS_LOCAL; i=$i+1)); do - script_test_case $TESTNAME - (( $TESTCOUNT >= $NUMBER_OF_TESTS )) && return - done - end_row - done } -if [[ $WORK == "" ]] -then - WORK=$TOPDIR/work -fi - checkvars GROUPLISTFILE echo "GROUPLISTFILE: $GROUPLISTFILE" source $GROUPLISTFILE || exit 1 @@ -1063,7 +993,7 @@ start_part "Part $GROUPCOUNT: $TITLE" test_group (( GROUPCOUNT++ )) - (( $TESTCOUNT >= $NUMBER_OF_TESTS )) && break + (( $SWIFTCOUNT >= $NUMBER_OF_TESTS )) && break done if [ $GRID_TESTS == "0" ]; then From jonmon at ci.uchicago.edu Sat Apr 2 17:09:30 2011 From: jonmon at ci.uchicago.edu (jonmon at ci.uchicago.edu) Date: Sat, 2 Apr 2011 17:09:30 -0500 (CDT) Subject: [Swift-commit] r4243 - in SwiftApps/Montage: . exec templates Message-ID: <20110402220930.DFC699CC94@svn.ci.uchicago.edu> Author: jonmon Date: 2011-04-02 17:09:30 -0500 (Sat, 02 Apr 2011) New Revision: 4243 Added: SwiftApps/Montage/exec/ SwiftApps/Montage/exec/montage.sh SwiftApps/Montage/exec/sites.properties SwiftApps/Montage/templates/ SwiftApps/Montage/templates/pads-coasters.xml Log: o SwiftApps/Montage/exec o SwiftApps/Montage/templates -- Added directories to for the montage run script. Still being worked on. Added: SwiftApps/Montage/exec/montage.sh =================================================================== --- SwiftApps/Montage/exec/montage.sh (rev 0) +++ SwiftApps/Montage/exec/montage.sh 2011-04-02 22:09:30 UTC (rev 4243) @@ -0,0 +1,28 @@ +#!/bin/bash + +EXPECTED_ARGS=1 + +if [ $# -ne $EXPECTED_ARGS ] +then + echo "Did not specify how many workers are to be run" + exit 1 +fi + +RUN_DIRECTORY=(`ls | grep run`) +len=${#RUN_DIRECTORY[*]} +WORK_DIRECTORY=(`printf "run.%04d" $len`) + +mkdir ${WORK_DIRECTORY} + +echo "#site work=/gpfs/pads/jonmon/Swift/work/pads" >> sites.properties +echo "#site slots=$1" >> sites.properties + +gensites -L ${SWIFT_MONTAGE}/templates -p sites.properties pads-coasters.xml > sites.xml + +rm -f sites.properties + +mv sites.xml ${WORK_DIRECTORY} +mv tc.data ${WORK_DIRECTORY} +cp montage.swift ${WORK_DIRECTORY} + +#clear ; swiftrun -sites localhost pads -input raw_dir header.hdr -script m101_montage.swift Property changes on: SwiftApps/Montage/exec/montage.sh ___________________________________________________________________ Name: svn:executable + * Added: SwiftApps/Montage/exec/sites.properties =================================================================== --- SwiftApps/Montage/exec/sites.properties (rev 0) +++ SwiftApps/Montage/exec/sites.properties 2011-04-02 22:09:30 UTC (rev 4243) @@ -0,0 +1,2 @@ +#site work=/gpfs/pads/swift/jonmon/Swift/work/pads +#site slots=100 Added: SwiftApps/Montage/templates/pads-coasters.xml =================================================================== --- SwiftApps/Montage/templates/pads-coasters.xml (rev 0) +++ SwiftApps/Montage/templates/pads-coasters.xml 2011-04-02 22:09:30 UTC (rev 4243) @@ -0,0 +1,15 @@ + + + + 3600 + 192.5.86.6 + 1 + _SLOTS_ + 1 + 1 + fast + 1 + 10000 + 1 + _WORK_ + From hategan at ci.uchicago.edu Sat Apr 2 20:35:18 2011 From: hategan at ci.uchicago.edu (hategan at ci.uchicago.edu) Date: Sat, 2 Apr 2011 20:35:18 -0500 (CDT) Subject: [Swift-commit] r4244 - branches/release-0.92/src/org/griphyn/vdl/karajan/lib Message-ID: <20110403013518.A49DBFC41@svn.ci.uchicago.edu> Author: hategan Date: 2011-04-02 20:35:18 -0500 (Sat, 02 Apr 2011) New Revision: 4244 Modified: branches/release-0.92/src/org/griphyn/vdl/karajan/lib/SetFieldValue.java Log: fixed duplicate iterations Modified: branches/release-0.92/src/org/griphyn/vdl/karajan/lib/SetFieldValue.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/karajan/lib/SetFieldValue.java 2011-04-02 22:09:30 UTC (rev 4243) +++ branches/release-0.92/src/org/griphyn/vdl/karajan/lib/SetFieldValue.java 2011-04-03 01:35:18 UTC (rev 4244) @@ -42,9 +42,6 @@ if (!value.isClosed()) { throw new FutureNotYetAvailable(addFutureListener(stack, value)); } - if (var.getParent() != null && var.getParent().getType().isArray()) { - markAsAvailable(stack, leaf.getParent(), leaf.getPathFromRoot().getLast()); - } } synchronized (var.getRoot()) { deepCopy(leaf, value, stack); From wozniak at ci.uchicago.edu Sun Apr 3 15:33:15 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Sun, 3 Apr 2011 15:33:15 -0500 (CDT) Subject: [Swift-commit] r4245 - trunk/src/org/griphyn/vdl/karajan/lib Message-ID: <20110403203315.101889CC94@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-03 15:33:14 -0500 (Sun, 03 Apr 2011) New Revision: 4245 Modified: trunk/src/org/griphyn/vdl/karajan/lib/VDLFunction.java Log: Drop unused imports Modified: trunk/src/org/griphyn/vdl/karajan/lib/VDLFunction.java =================================================================== --- trunk/src/org/griphyn/vdl/karajan/lib/VDLFunction.java 2011-04-03 01:35:18 UTC (rev 4244) +++ trunk/src/org/griphyn/vdl/karajan/lib/VDLFunction.java 2011-04-03 20:33:14 UTC (rev 4245) @@ -32,8 +32,6 @@ import org.globus.swift.catalog.TCEntry; import org.globus.swift.catalog.transformation.File; import org.globus.swift.catalog.types.TCType; -import org.griphyn.vdl.karajan.InHook; -import org.griphyn.vdl.karajan.Monitor; import org.griphyn.vdl.karajan.TCCache; import org.griphyn.vdl.karajan.VDL2FutureException; import org.griphyn.vdl.karajan.WrapperMap; From wozniak at ci.uchicago.edu Sun Apr 3 15:41:52 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Sun, 3 Apr 2011 15:41:52 -0500 (CDT) Subject: [Swift-commit] r4246 - trunk/src/org/griphyn/vdl/mapping Message-ID: <20110403204152.DE84D9CC94@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-03 15:41:52 -0500 (Sun, 03 Apr 2011) New Revision: 4246 Modified: trunk/src/org/griphyn/vdl/mapping/DSHandle.java Log: Fix typo Modified: trunk/src/org/griphyn/vdl/mapping/DSHandle.java =================================================================== --- trunk/src/org/griphyn/vdl/mapping/DSHandle.java 2011-04-03 20:33:14 UTC (rev 4245) +++ trunk/src/org/griphyn/vdl/mapping/DSHandle.java 2011-04-03 20:41:52 UTC (rev 4246) @@ -8,7 +8,7 @@ /** A DSHandle refers to a (possibly complex) piece of SwiftScript * data. * - * A DSHandles has a type. + * A DSHandle has a type. * * A DSHandle may have a value that is accessible * as a Java object through the getValue() method, however that is From wozniak at ci.uchicago.edu Sun Apr 3 15:42:17 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Sun, 3 Apr 2011 15:42:17 -0500 (CDT) Subject: [Swift-commit] r4247 - trunk/src/org/griphyn/vdl/karajan/lib Message-ID: <20110403204217.3D5479CC94@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-03 15:42:16 -0500 (Sun, 03 Apr 2011) New Revision: 4247 Modified: trunk/src/org/griphyn/vdl/karajan/lib/SwiftArg.java Log: Extraneous line Modified: trunk/src/org/griphyn/vdl/karajan/lib/SwiftArg.java =================================================================== --- trunk/src/org/griphyn/vdl/karajan/lib/SwiftArg.java 2011-04-03 20:41:52 UTC (rev 4246) +++ trunk/src/org/griphyn/vdl/karajan/lib/SwiftArg.java 2011-04-03 20:42:16 UTC (rev 4247) @@ -188,7 +188,6 @@ return ret; } - public List asList(VariableStack stack) throws ExecutionException { VariableArguments args = get(stack); List ret = new ArrayList(); From wozniak at ci.uchicago.edu Sun Apr 3 15:53:12 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Sun, 3 Apr 2011 15:53:12 -0500 (CDT) Subject: [Swift-commit] r4248 - in trunk: libexec src/org/griphyn/vdl/engine src/org/griphyn/vdl/karajan/lib/swiftscript tests/functions Message-ID: <20110403205312.9BA8E9CCBB@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-03 15:53:12 -0500 (Sun, 03 Apr 2011) New Revision: 4248 Added: trunk/tests/functions/500-exists.check.sh trunk/tests/functions/500-exists.clean.sh trunk/tests/functions/500-exists.setup.sh trunk/tests/functions/500-exists.swift Modified: trunk/libexec/vdl-lib.xml trunk/src/org/griphyn/vdl/engine/ProcedureSignature.java trunk/src/org/griphyn/vdl/karajan/lib/swiftscript/Misc.java Log: New @exist_file() and test Modified: trunk/libexec/vdl-lib.xml =================================================================== --- trunk/libexec/vdl-lib.xml 2011-04-03 20:42:16 UTC (rev 4247) +++ trunk/libexec/vdl-lib.xml 2011-04-03 20:53:12 UTC (rev 4248) @@ -7,6 +7,7 @@ + Modified: trunk/src/org/griphyn/vdl/engine/ProcedureSignature.java =================================================================== --- trunk/src/org/griphyn/vdl/engine/ProcedureSignature.java 2011-04-03 20:42:16 UTC (rev 4247) +++ trunk/src/org/griphyn/vdl/engine/ProcedureSignature.java 2011-04-03 20:53:12 UTC (rev 4248) @@ -7,7 +7,7 @@ public class ProcedureSignature { - + private String name; private ArrayList inputArgs; private ArrayList outputArgs; @@ -20,7 +20,7 @@ /* Procedure is user defined. */ static public final int INVOCATION_USERDEFINED = 601; - + public ProcedureSignature(String name) { this.name = name; inputArgs = new ArrayList(); @@ -29,64 +29,64 @@ anyNumOfOutputArgs = false; invocationMode = INVOCATION_USERDEFINED; } - + public String getName() { return name; } - + public void addInputArg(FormalArgumentSignature inputArg) { inputArgs.add(inputArg); } - + public void addOutputArg(FormalArgumentSignature outputArg) { outputArgs.add(outputArg); } - + public void setAnyNumOfInputArgs() { anyNumOfInputArgs = true; } - + public void setAnyNumOfOutputArgs() { anyNumOfOutputArgs = true; } - - public boolean getAnyNumOdInputArgs() { + + public boolean getAnyNumOfInputArgs() { return anyNumOfInputArgs; } - - public boolean getAnyNumOdOutputArgs() { + + public boolean getAnyNumOfOutputArgs() { return anyNumOfOutputArgs; } - + public int sizeOfInputArray() { return inputArgs.size(); } - + public int sizeOfOutputArray() { return outputArgs.size(); } - - private static final FormalArgumentSignature[] FORMAL_ARGUMENT_SIGNATURE_ARRAY = + + private static final FormalArgumentSignature[] FORMAL_ARGUMENT_SIGNATURE_ARRAY = new FormalArgumentSignature[0]; - + public FormalArgumentSignature[] getInputArray() { - return (FormalArgumentSignature[]) + return (FormalArgumentSignature[]) inputArgs.toArray(FORMAL_ARGUMENT_SIGNATURE_ARRAY); } - + public FormalArgumentSignature[] getOutputArray() { - return (FormalArgumentSignature[]) + return (FormalArgumentSignature[]) outputArgs.toArray(FORMAL_ARGUMENT_SIGNATURE_ARRAY); } - + public FormalArgumentSignature getInputArray(int i) { return (FormalArgumentSignature) inputArgs.get(i); } - + public FormalArgumentSignature getOutputArray(int i) { return (FormalArgumentSignature) outputArgs.get(i); } - + public void setInputArgs(FormalParameter[] fp) { for (int i = 0; i < fp.length; i++) { FormalArgumentSignature fas = new FormalArgumentSignature(fp[i].getType().getLocalPart(), @@ -95,7 +95,7 @@ this.addInputArg(fas); } } - + public void setOutputArgs(FormalParameter[] fp) { for (int i = 0; i < fp.length; i++) { FormalArgumentSignature fas = new FormalArgumentSignature(fp[i].getType().getLocalPart(), @@ -113,26 +113,26 @@ public int getInvocationMode() { return this.invocationMode; } - + public static HashMap makeProcedureSignatures() { HashMap proceduresMap = new HashMap(); - + ProcedureSignature readData = new ProcedureSignature("readData"); FormalArgumentSignature rdInputArg = new FormalArgumentSignature(true); readData.addInputArg(rdInputArg); FormalArgumentSignature rdOutputArg = new FormalArgumentSignature(true); - readData.addOutputArg(rdOutputArg); + readData.addOutputArg(rdOutputArg); readData.setInvocationMode(INVOCATION_INTERNAL); proceduresMap.put("readData", readData); - + ProcedureSignature readData2 = new ProcedureSignature("readData2"); FormalArgumentSignature rd2InputArg = new FormalArgumentSignature(true); readData2.addInputArg(rd2InputArg); FormalArgumentSignature rd2OutputArg = new FormalArgumentSignature(true); - readData2.addOutputArg(rd2OutputArg); + readData2.addOutputArg(rd2OutputArg); readData2.setInvocationMode(INVOCATION_INTERNAL); proceduresMap.put("readData2", readData2); - + ProcedureSignature trace = new ProcedureSignature("trace"); trace.setAnyNumOfInputArgs(); trace.setInvocationMode(INVOCATION_INTERNAL); @@ -142,55 +142,55 @@ tracef.setAnyNumOfInputArgs(); tracef.setInvocationMode(INVOCATION_INTERNAL); proceduresMap.put("tracef", tracef); - + ProcedureSignature fprintf = new ProcedureSignature("ftracef"); fprintf.setAnyNumOfInputArgs(); fprintf.setInvocationMode(INVOCATION_INTERNAL); proceduresMap.put("fprintf", fprintf); - + ProcedureSignature assrt = new ProcedureSignature("assert"); assrt.setAnyNumOfInputArgs(); assrt.setInvocationMode(INVOCATION_INTERNAL); proceduresMap.put("assert", assrt); - + ProcedureSignature writeData = new ProcedureSignature("writeData"); FormalArgumentSignature wdInputArg = new FormalArgumentSignature(true); writeData.addInputArg(wdInputArg); FormalArgumentSignature wdOutputArg = new FormalArgumentSignature(true); - writeData.addOutputArg(wdOutputArg); + writeData.addOutputArg(wdOutputArg); writeData.setInvocationMode(INVOCATION_INTERNAL); proceduresMap.put("writeData", writeData); - + return proceduresMap; } - + public static HashMap makeFunctionSignatures () { HashMap functionsMap = new HashMap(); - + ProcedureSignature arg = new ProcedureSignature("arg"); FormalArgumentSignature argIn1 = new FormalArgumentSignature("string"); arg.addInputArg(argIn1); - FormalArgumentSignature argIn2 = new FormalArgumentSignature("string"); + FormalArgumentSignature argIn2 = new FormalArgumentSignature("string"); argIn2.setOptional(true); arg.addInputArg(argIn2); FormalArgumentSignature argOut1 = new FormalArgumentSignature("string"); arg.addOutputArg(argOut1); functionsMap.put(arg.getName(), arg); - + ProcedureSignature extractint = new ProcedureSignature("extractint"); FormalArgumentSignature extractintIn1 = new FormalArgumentSignature(true); /* file can be specified as any type */ extractint.addInputArg(extractintIn1); FormalArgumentSignature extractintOut1 = new FormalArgumentSignature("int"); extractint.addOutputArg(extractintOut1); functionsMap.put(extractint.getName(), extractint); - + ProcedureSignature filename = new ProcedureSignature("filename"); FormalArgumentSignature filenameIn1 = new FormalArgumentSignature(true); /* file can be specified as any type */ filename.addInputArg(filenameIn1); FormalArgumentSignature filenameOut1 = new FormalArgumentSignature("string"); filename.addOutputArg(filenameOut1); functionsMap.put(filename.getName(), filename); - + ProcedureSignature filenames = new ProcedureSignature("filenames"); FormalArgumentSignature filenamesIn1 = new FormalArgumentSignature(true); /* file can be specified as any type */ filenames.addInputArg(filenamesIn1); @@ -204,14 +204,14 @@ FormalArgumentSignature dirnameOut1 = new FormalArgumentSignature("string"); dirname.addOutputArg(dirnameOut1); functionsMap.put(dirname.getName(), dirname); - + ProcedureSignature length = new ProcedureSignature("length"); FormalArgumentSignature lengthIn1 = new FormalArgumentSignature(true); length.addInputArg(lengthIn1); FormalArgumentSignature lengthOut1 = new FormalArgumentSignature("int"); length.addOutputArg(lengthOut1); functionsMap.put(length.getName(), length); - + ProcedureSignature regexp = new ProcedureSignature("regexp"); FormalArgumentSignature regexpIn1 = new FormalArgumentSignature("string"); regexp.addInputArg(regexpIn1); @@ -222,19 +222,19 @@ FormalArgumentSignature regexpOut1 = new FormalArgumentSignature("string"); regexp.addOutputArg(regexpOut1); functionsMap.put(regexp.getName(), regexp); - + ProcedureSignature strcat = new ProcedureSignature("strcat"); strcat.setAnyNumOfInputArgs(); FormalArgumentSignature strcatOut1 = new FormalArgumentSignature("string"); strcat.addOutputArg(strcatOut1); functionsMap.put(strcat.getName(), strcat); - + ProcedureSignature sprintf = new ProcedureSignature("sprintf"); - sprintf.setAnyNumOfInputArgs(); - FormalArgumentSignature sprintfOut1 = new FormalArgumentSignature("string"); - sprintf.addOutputArg(sprintfOut1); - functionsMap.put(sprintf.getName(), sprintf); - + sprintf.setAnyNumOfInputArgs(); + FormalArgumentSignature sprintfOut1 = new FormalArgumentSignature("string"); + sprintf.addOutputArg(sprintfOut1); + functionsMap.put(sprintf.getName(), sprintf); + ProcedureSignature strcut = new ProcedureSignature("strcut"); FormalArgumentSignature strcutIn1 = new FormalArgumentSignature("string"); strcut.addInputArg(strcutIn1); @@ -252,7 +252,7 @@ FormalArgumentSignature strstrOut1 = new FormalArgumentSignature("int"); strstr.addOutputArg(strstrOut1); functionsMap.put(strstr.getName(), strstr); - + ProcedureSignature strsplit = new ProcedureSignature("strsplit"); FormalArgumentSignature strsplitIn1 = new FormalArgumentSignature("string"); strsplit.addInputArg(strsplitIn1); @@ -261,7 +261,7 @@ FormalArgumentSignature strsplitOut1 = new FormalArgumentSignature("string[]"); strsplit.addOutputArg(strsplitOut1); functionsMap.put(strsplit.getName(), strsplit); - + ProcedureSignature toint = new ProcedureSignature("toint"); FormalArgumentSignature tointIn1 = new FormalArgumentSignature(true); toint.addInputArg(tointIn1); @@ -275,7 +275,7 @@ FormalArgumentSignature tofloatOut1 = new FormalArgumentSignature("float"); tofloat.addOutputArg(tofloatOut1); functionsMap.put(tofloat.getName(), tofloat); - + ProcedureSignature format = new ProcedureSignature("format"); FormalArgumentSignature formatIn1 = new FormalArgumentSignature("float"); FormalArgumentSignature formatIn2 = new FormalArgumentSignature("int"); @@ -284,7 +284,7 @@ FormalArgumentSignature formatOut = new FormalArgumentSignature("string"); format.addOutputArg(formatOut); functionsMap.put(format.getName(), format); - + ProcedureSignature pad = new ProcedureSignature("pad"); FormalArgumentSignature padIn1 = new FormalArgumentSignature("int"); FormalArgumentSignature padIn2 = new FormalArgumentSignature("int"); @@ -293,23 +293,29 @@ FormalArgumentSignature padOut = new FormalArgumentSignature("string"); pad.addOutputArg(padOut); functionsMap.put(pad.getName(), pad); - + ProcedureSignature tostring = new ProcedureSignature("tostring"); FormalArgumentSignature tostringIn1 = new FormalArgumentSignature(true); tostring.addInputArg(tostringIn1); FormalArgumentSignature tostringOut1 = new FormalArgumentSignature("string"); tostring.addOutputArg(tostringOut1); functionsMap.put(tostring.getName(), tostring); - + ProcedureSignature java = new ProcedureSignature("java"); java.setAnyNumOfInputArgs(); FormalArgumentSignature output = new FormalArgumentSignature("java"); java.addOutputArg(output); functionsMap.put(java.getName(), java); - + + ProcedureSignature exists_file = new ProcedureSignature("exists_file"); + exists_file.setAnyNumOfInputArgs(); + FormalArgumentSignature exists_fileOut1 = new FormalArgumentSignature("boolean"); + exists_file.addOutputArg(exists_fileOut1); + functionsMap.put(exists_file.getName(), exists_file); + return functionsMap; } - + public String toString() { return outputArgs + " " + name + inputArgs; } Modified: trunk/src/org/griphyn/vdl/karajan/lib/swiftscript/Misc.java =================================================================== --- trunk/src/org/griphyn/vdl/karajan/lib/swiftscript/Misc.java 2011-04-03 20:42:16 UTC (rev 4247) +++ trunk/src/org/griphyn/vdl/karajan/lib/swiftscript/Misc.java 2011-04-03 20:53:12 UTC (rev 4248) @@ -19,7 +19,6 @@ import org.griphyn.vdl.mapping.Path; import org.griphyn.vdl.mapping.RootArrayDataNode; import org.griphyn.vdl.mapping.RootDataNode; -import org.griphyn.vdl.type.NoSuchTypeException; import org.griphyn.vdl.type.Types; import org.griphyn.vdl.util.VDL2Config; @@ -38,9 +37,10 @@ static { setArguments("swiftscript_trace", new Arg[] { Arg.VARGS }); - setArguments("swiftscript_strcat", new Arg[] { Arg.VARGS }); + setArguments("swiftscript_strcat", new Arg[] { Arg.VARGS }); + setArguments("swiftscript_exists_file", new Arg[] { Arg.VARGS }); setArguments("swiftscript_strcut", new Arg[] { PA_INPUT, PA_PATTERN }); - setArguments("swiftscript_strstr", new Arg[] { PA_INPUT, PA_PATTERN }); + setArguments("swiftscript_strstr", new Arg[] { PA_INPUT, PA_PATTERN }); setArguments("swiftscript_strsplit", new Arg[] { PA_INPUT, PA_PATTERN }); setArguments("swiftscript_regexp", new Arg[] { PA_INPUT, PA_PATTERN, PA_TRANSFORM }); setArguments("swiftscript_toint", new Arg[] { PA_INPUT }); @@ -50,11 +50,12 @@ setArguments("swiftscript_tostring", new Arg[] { PA_INPUT }); setArguments("swiftscript_dirname", new Arg[] { Arg.VARGS }); setArguments("swiftscript_length", new Arg[] { Arg.VARGS }); + setArguments("swiftscript_exists", new Arg[] { Arg.VARGS }); } - private static final Logger traceLogger = + private static final Logger traceLogger = Logger.getLogger("org.globus.swift.trace"); - public DSHandle swiftscript_trace(VariableStack stack) + public DSHandle swiftscript_trace(VariableStack stack) throws ExecutionException { DSHandle[] args = SwiftArg.VARGS.asDSHandleArray(stack); @@ -70,9 +71,10 @@ traceLogger.warn(buf); return null; } - - public DSHandle swiftscript_strcat(VariableStack stack) + + public DSHandle swiftscript_strcat(VariableStack stack) throws ExecutionException { + logger.debug(stack); Object[] args = SwiftArg.VARGS.asArray(stack); int provid = VDLFunction.nextProvenanceID(); StringBuffer buf = new StringBuffer(); @@ -96,9 +98,47 @@ return handle; } - public DSHandle swiftscript_strcut(VariableStack stack) + public DSHandle swiftscript_exists_file(VariableStack stack) throws ExecutionException { + logger.debug(stack); + Object[] args = SwiftArg.VARGS.asArray(stack); int provid = VDLFunction.nextProvenanceID(); + + if (args.length != 1) + throw new ExecutionException + ("Wrong number of arguments to @exists_file()"); + + String filename = TypeUtil.toString(args[0]); + + DSHandle handle = new RootDataNode(Types.BOOLEAN); + AbsFile file = new AbsFile(filename); + logger.debug("exists_file: " + file); + handle.setValue(file.exists()); + handle.closeShallow(); + + try { + if(VDL2Config.getConfig().getProvenanceLog()) { + DSHandle[] provArgs = + SwiftArg.VARGS.asDSHandleArray(stack); + for (int i = 0; i < provArgs.length; i++) { + VDLFunction.logProvenanceParameter + (provid, provArgs[i], ""+i); + } + VDLFunction.logProvenanceResult + (provid, handle, "exists_file"); + } + } catch (IOException ioe) { + throw new ExecutionException + ("When logging provenance for exists_file", + ioe); + } + + return handle; + } + + public DSHandle swiftscript_strcut(VariableStack stack) + throws ExecutionException { + int provid = VDLFunction.nextProvenanceID(); String inputString = TypeUtil.toString(PA_INPUT.getValue(stack)); String pattern = TypeUtil.toString(PA_PATTERN.getValue(stack)); if (logger.isDebugEnabled()) { @@ -129,13 +169,13 @@ VDLFunction.logProvenanceParameter(provid, PA_PATTERN.getRawValue(stack), "pattern"); return handle; } - - public DSHandle swiftscript_strstr(VariableStack stack) + + public DSHandle swiftscript_strstr(VariableStack stack) throws ExecutionException { String inputString = TypeUtil.toString(PA_INPUT.getValue(stack)); String pattern = TypeUtil.toString(PA_PATTERN.getValue(stack)); if (logger.isDebugEnabled()) { - logger.debug("strstr will search '" + inputString + + logger.debug("strstr will search '" + inputString + "' for pattern '" + pattern + "'"); } int result = inputString.indexOf(pattern); @@ -144,10 +184,10 @@ handle.closeShallow(); return handle; } - - public DSHandle swiftscript_strsplit(VariableStack stack) + + public DSHandle swiftscript_strsplit(VariableStack stack) throws ExecutionException, InvalidPathException { - + String str = TypeUtil.toString(PA_INPUT.getValue(stack)); String pattern = TypeUtil.toString(PA_PATTERN.getValue(stack)); @@ -166,7 +206,7 @@ return handle; } - public DSHandle swiftscript_regexp(VariableStack stack) + public DSHandle swiftscript_regexp(VariableStack stack) throws ExecutionException { String inputString = TypeUtil.toString(PA_INPUT.getValue(stack)); String pattern = TypeUtil.toString(PA_PATTERN.getValue(stack)); @@ -203,7 +243,7 @@ return handle; } - public DSHandle swiftscript_toint(VariableStack stack) + public DSHandle swiftscript_toint(VariableStack stack) throws ExecutionException { String inputString = TypeUtil.toString(PA_INPUT.getValue(stack)); int i = inputString.indexOf("."); @@ -212,7 +252,7 @@ inputString = inputString.substring(0, i); } DSHandle handle = new RootDataNode(Types.INT); - + try { handle.setValue(new Double(inputString)); @@ -222,18 +262,18 @@ throw new ExecutionException(stack, "Could not convert value \""+inputString+"\" to type int"); } handle.closeShallow(); - + int provid=VDLFunction.nextProvenanceID(); VDLFunction.logProvenanceResult(provid, handle, "toint"); VDLFunction.logProvenanceParameter(provid, PA_INPUT.getRawValue(stack), "string"); return handle; } - public DSHandle swiftscript_tofloat(VariableStack stack) + public DSHandle swiftscript_tofloat(VariableStack stack) throws ExecutionException { String inputString = TypeUtil.toString(PA_INPUT.getValue(stack)); DSHandle handle = new RootDataNode(Types.FLOAT); - + try { handle.setValue(new Double(inputString)); @@ -248,52 +288,52 @@ VDLFunction.logProvenanceParameter(provid, PA_INPUT.getRawValue(stack), "string"); return handle; } - + /* * Takes in a float and formats to desired precision and returns a string */ - public DSHandle swiftscript_format(VariableStack stack) + public DSHandle swiftscript_format(VariableStack stack) throws ExecutionException { String inputString = TypeUtil.toString(PA_INPUT.getValue(stack)); String inputFormat = TypeUtil.toString(PA_TRANSFORM.getValue(stack)); DSHandle handle = new RootDataNode(Types.STRING); - + String output = String.format("%."+inputFormat+"f", Double.parseDouble(inputString)); handle.setValue(output); handle.closeShallow(); - + int provid=VDLFunction.nextProvenanceID(); VDLFunction.logProvenanceResult(provid, handle, "format"); VDLFunction.logProvenanceParameter(provid, PA_INPUT.getRawValue(stack), "float"); VDLFunction.logProvenanceParameter(provid, PA_TRANSFORM.getRawValue(stack), "float"); return handle; } - + /* * Takes in an int and pads zeros to the left and returns a string */ - public DSHandle swiftscript_pad(VariableStack stack) + public DSHandle swiftscript_pad(VariableStack stack) throws ExecutionException { String inputString = TypeUtil.toString(PA_INPUT.getValue(stack)); String inputFormat = TypeUtil.toString(PA_TRANSFORM.getValue(stack)); - DSHandle handle = new RootDataNode(Types.STRING); - + DSHandle handle = new RootDataNode(Types.STRING); + int num_length = inputString.length(); int zeros_to_pad = Integer.parseInt(inputFormat); zeros_to_pad += num_length; - - String output = String.format("%0"+zeros_to_pad+"d", + + String output = String.format("%0"+zeros_to_pad+"d", Integer.parseInt(inputString)); handle.setValue(output); handle.closeShallow(); - + int provid=VDLFunction.nextProvenanceID(); VDLFunction.logProvenanceResult(provid, handle, "pad"); VDLFunction.logProvenanceParameter(provid, PA_INPUT.getRawValue(stack), "int"); VDLFunction.logProvenanceParameter(provid, PA_TRANSFORM.getRawValue(stack), "int"); return handle; } - + public DSHandle swiftscript_tostring(VariableStack stack) throws ExecutionException { Object input = PA_INPUT.getValue(stack); @@ -303,7 +343,7 @@ return handle; } - public DSHandle swiftscript_dirname(VariableStack stack) + public DSHandle swiftscript_dirname(VariableStack stack) throws ExecutionException { DSHandle handle; try @@ -311,7 +351,7 @@ DSHandle[] args = SwiftArg.VARGS.asDSHandleArray(stack); DSHandle arg = args[0]; String[] input = VDLFunction.filename(arg); - String name = input[0]; + String name = input[0]; String result = new AbsFile(name).getDir(); handle = new RootDataNode(Types.STRING); handle.setValue(result); @@ -323,39 +363,54 @@ } return handle; } - + /* - * This is copied from swiftscript_dirname. + * This is copied from swiftscript_dirname. * Both the functions could be changed to be more readable. * Returns length of an array. - * Good for debugging because array needs to be closed + * Good for debugging because array needs to be closed * before the length is determined */ - public DSHandle swiftscript_length(VariableStack stack) + public DSHandle swiftscript_length(VariableStack stack) throws ExecutionException { DSHandle handle; - DSHandle[] args = SwiftArg.VARGS.asDSHandleArray( stack ); + DSHandle[] args = SwiftArg.VARGS.asDSHandleArray(stack); DSHandle arg = args[0]; ArrayDataNode adn = (ArrayDataNode)arg; - + if( !( adn.isClosed() ) ) { throw new FutureNotYetAvailable (VDLFunction.addFutureListener(stack, adn)); } - + int result = adn.size(); handle = new RootDataNode(Types.INT); handle.setValue(result); handle.closeShallow(); - + return handle; } + + public DSHandle swiftscript_existsfile(VariableStack stack) + throws ExecutionException { + logger.debug(stack); + DSHandle result = null; + Object[] args = SwiftArg.VARGS.asArray(stack); + String arg = (String) args[0]; + AbsFile file = new AbsFile(arg); + boolean b = file.exists(); + result = new RootDataNode(Types.BOOLEAN); + result.setValue(b); + result.closeShallow(); + + return result; + } } /* * Local Variables: - * c-basic-offset: 8 + * c-basic-offset: 4 * End: * * vim: ft=c ts=8 sts=4 sw=4 expandtab Added: trunk/tests/functions/500-exists.check.sh =================================================================== --- trunk/tests/functions/500-exists.check.sh (rev 0) +++ trunk/tests/functions/500-exists.check.sh 2011-04-03 20:53:12 UTC (rev 4248) @@ -0,0 +1,15 @@ +#!/bin/bash + +set -x + +# FILES=( $( ls 400-fprintf-*.out ) ) +# (( ${#FILES[@]} == 3 )) || exit 1 + +# grep hello 400-fprintf-1.out || exit 1 + +# LINES=$( wc -l 400-fprintf-2.out | cut -d ' ' -f 1 ) +# (( ${LINES} == 3 )) || exit 1 + +# grep "hello: 32" 400-fprintf-3.out || exit 1 + +exit 0 Property changes on: trunk/tests/functions/500-exists.check.sh ___________________________________________________________________ Name: svn:executable + * Added: trunk/tests/functions/500-exists.clean.sh =================================================================== --- trunk/tests/functions/500-exists.clean.sh (rev 0) +++ trunk/tests/functions/500-exists.clean.sh 2011-04-03 20:53:12 UTC (rev 4248) @@ -0,0 +1,5 @@ +#!/bin/bash + +# rm -v file.txt || exit 1 + +exit 0 Property changes on: trunk/tests/functions/500-exists.clean.sh ___________________________________________________________________ Name: svn:executable + * Added: trunk/tests/functions/500-exists.setup.sh =================================================================== --- trunk/tests/functions/500-exists.setup.sh (rev 0) +++ trunk/tests/functions/500-exists.setup.sh 2011-04-03 20:53:12 UTC (rev 4248) @@ -0,0 +1,6 @@ +#!/bin/bash + +touch file.txt +rm -fv file-missing.txt + +exit 0 Property changes on: trunk/tests/functions/500-exists.setup.sh ___________________________________________________________________ Name: svn:executable + * Added: trunk/tests/functions/500-exists.swift =================================================================== --- trunk/tests/functions/500-exists.swift (rev 0) +++ trunk/tests/functions/500-exists.swift 2011-04-03 20:53:12 UTC (rev 4248) @@ -0,0 +1,11 @@ + +string s1 = "file.txt"; +string s2 = "file-missing.txt"; + +boolean b1, b2; + +b1 = @exists_file(s1); +b2 = @exists_file(s2); + +tracef("%s: %p\n%s: %p\n", + s1, b1, s2, b2); From wozniak at ci.uchicago.edu Sun Apr 3 16:12:07 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Sun, 3 Apr 2011 16:12:07 -0500 (CDT) Subject: [Swift-commit] r4249 - trunk/tests Message-ID: <20110403211207.A65439CCA0@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-03 16:12:04 -0500 (Sun, 03 Apr 2011) New Revision: 4249 Modified: trunk/tests/nightly.sh Log: Show the swift location Modified: trunk/tests/nightly.sh =================================================================== --- trunk/tests/nightly.sh 2011-04-03 20:53:12 UTC (rev 4248) +++ trunk/tests/nightly.sh 2011-04-03 21:12:04 UTC (rev 4249) @@ -1063,13 +1063,13 @@ build_package fi +end_row + PATH=$SWIFT_HOME/bin:$PATH cd $TOPDIR -which swift +echo "USING: $( which swift )" cd $RUNDIR -end_row - if [ $ALWAYS_EXITONFAILURE != "1" ]; then EXITONFAILURE=false fi From wozniak at ci.uchicago.edu Sun Apr 3 16:12:43 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Sun, 3 Apr 2011 16:12:43 -0500 (CDT) Subject: [Swift-commit] r4250 - trunk/tests/functions Message-ID: <20110403211243.1F3F19CCA0@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-03 16:12:42 -0500 (Sun, 03 Apr 2011) New Revision: 4250 Modified: trunk/tests/functions/500-exists.check.sh Log: Implement check script Modified: trunk/tests/functions/500-exists.check.sh =================================================================== --- trunk/tests/functions/500-exists.check.sh 2011-04-03 21:12:04 UTC (rev 4249) +++ trunk/tests/functions/500-exists.check.sh 2011-04-03 21:12:42 UTC (rev 4250) @@ -2,14 +2,7 @@ set -x -# FILES=( $( ls 400-fprintf-*.out ) ) -# (( ${#FILES[@]} == 3 )) || exit 1 +grep "file.txt: true" stdout.txt || exit 1 +grep "file-missing.txt: false" stdout.txt || exit 1 -# grep hello 400-fprintf-1.out || exit 1 - -# LINES=$( wc -l 400-fprintf-2.out | cut -d ' ' -f 1 ) -# (( ${LINES} == 3 )) || exit 1 - -# grep "hello: 32" 400-fprintf-3.out || exit 1 - exit 0 From wozniak at ci.uchicago.edu Sun Apr 3 16:25:44 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Sun, 3 Apr 2011 16:25:44 -0500 (CDT) Subject: [Swift-commit] r4251 - in trunk: libexec src/org/griphyn/vdl/engine src/org/griphyn/vdl/karajan/lib/swiftscript tests/functions Message-ID: <20110403212544.98ACB9CCA0@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-03 16:25:44 -0500 (Sun, 03 Apr 2011) New Revision: 4251 Modified: trunk/libexec/vdl-lib.xml trunk/src/org/griphyn/vdl/engine/ProcedureSignature.java trunk/src/org/griphyn/vdl/karajan/lib/swiftscript/Misc.java trunk/tests/functions/500-exists.swift Log: Rename @exists_file to @exists Modified: trunk/libexec/vdl-lib.xml =================================================================== --- trunk/libexec/vdl-lib.xml 2011-04-03 21:12:42 UTC (rev 4250) +++ trunk/libexec/vdl-lib.xml 2011-04-03 21:25:44 UTC (rev 4251) @@ -7,7 +7,6 @@ - @@ -28,6 +27,7 @@ + Modified: trunk/src/org/griphyn/vdl/engine/ProcedureSignature.java =================================================================== --- trunk/src/org/griphyn/vdl/engine/ProcedureSignature.java 2011-04-03 21:12:42 UTC (rev 4250) +++ trunk/src/org/griphyn/vdl/engine/ProcedureSignature.java 2011-04-03 21:25:44 UTC (rev 4251) @@ -307,11 +307,11 @@ java.addOutputArg(output); functionsMap.put(java.getName(), java); - ProcedureSignature exists_file = new ProcedureSignature("exists_file"); - exists_file.setAnyNumOfInputArgs(); - FormalArgumentSignature exists_fileOut1 = new FormalArgumentSignature("boolean"); - exists_file.addOutputArg(exists_fileOut1); - functionsMap.put(exists_file.getName(), exists_file); + ProcedureSignature exists = new ProcedureSignature("exists"); + exists.setAnyNumOfInputArgs(); + FormalArgumentSignature existsOut1 = new FormalArgumentSignature("boolean"); + exists.addOutputArg(existsOut1); + functionsMap.put(exists.getName(), exists); return functionsMap; } Modified: trunk/src/org/griphyn/vdl/karajan/lib/swiftscript/Misc.java =================================================================== --- trunk/src/org/griphyn/vdl/karajan/lib/swiftscript/Misc.java 2011-04-03 21:12:42 UTC (rev 4250) +++ trunk/src/org/griphyn/vdl/karajan/lib/swiftscript/Misc.java 2011-04-03 21:25:44 UTC (rev 4251) @@ -38,7 +38,7 @@ static { setArguments("swiftscript_trace", new Arg[] { Arg.VARGS }); setArguments("swiftscript_strcat", new Arg[] { Arg.VARGS }); - setArguments("swiftscript_exists_file", new Arg[] { Arg.VARGS }); + setArguments("swiftscript_exists", new Arg[] { Arg.VARGS }); setArguments("swiftscript_strcut", new Arg[] { PA_INPUT, PA_PATTERN }); setArguments("swiftscript_strstr", new Arg[] { PA_INPUT, PA_PATTERN }); setArguments("swiftscript_strsplit", new Arg[] { PA_INPUT, PA_PATTERN }); @@ -98,7 +98,7 @@ return handle; } - public DSHandle swiftscript_exists_file(VariableStack stack) + public DSHandle swiftscript_exists(VariableStack stack) throws ExecutionException { logger.debug(stack); Object[] args = SwiftArg.VARGS.asArray(stack); @@ -106,13 +106,13 @@ if (args.length != 1) throw new ExecutionException - ("Wrong number of arguments to @exists_file()"); + ("Wrong number of arguments to @exists()"); String filename = TypeUtil.toString(args[0]); DSHandle handle = new RootDataNode(Types.BOOLEAN); AbsFile file = new AbsFile(filename); - logger.debug("exists_file: " + file); + logger.debug("exists: " + file); handle.setValue(file.exists()); handle.closeShallow(); @@ -125,11 +125,11 @@ (provid, provArgs[i], ""+i); } VDLFunction.logProvenanceResult - (provid, handle, "exists_file"); + (provid, handle, "exists"); } } catch (IOException ioe) { throw new ExecutionException - ("When logging provenance for exists_file", + ("When logging provenance for exists", ioe); } Modified: trunk/tests/functions/500-exists.swift =================================================================== --- trunk/tests/functions/500-exists.swift 2011-04-03 21:12:42 UTC (rev 4250) +++ trunk/tests/functions/500-exists.swift 2011-04-03 21:25:44 UTC (rev 4251) @@ -4,8 +4,8 @@ boolean b1, b2; -b1 = @exists_file(s1); -b2 = @exists_file(s2); +b1 = @exists(s1); +b2 = @exists(s2); tracef("%s: %p\n%s: %p\n", s1, b1, s2, b2); From wozniak at ci.uchicago.edu Sun Apr 3 21:53:36 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Sun, 3 Apr 2011 21:53:36 -0500 (CDT) Subject: [Swift-commit] r4252 - trunk/src/org/griphyn/vdl/engine Message-ID: <20110404025336.1E58D9CC94@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-03 21:53:35 -0500 (Sun, 03 Apr 2011) New Revision: 4252 Modified: trunk/src/org/griphyn/vdl/engine/Karajan.java Log: Fix spelling Modified: trunk/src/org/griphyn/vdl/engine/Karajan.java =================================================================== --- trunk/src/org/griphyn/vdl/engine/Karajan.java 2011-04-03 21:25:44 UTC (rev 4251) +++ trunk/src/org/griphyn/vdl/engine/Karajan.java 2011-04-04 02:53:35 UTC (rev 4252) @@ -51,9 +51,9 @@ public class Karajan { public static final Logger logger = Logger.getLogger(Karajan.class); - - public static final String TEMPLATE_FILE_NAME = "Karajan.stg"; + public static final String TEMPLATE_FILE_NAME = "Karajan.stg"; + Map stringInternMap = new HashMap(); Map intInternMap = new HashMap(); Map floatInternMap = new HashMap(); @@ -63,7 +63,7 @@ LinkedList importList = new LinkedList(); Set importedNames = new HashSet(); - + int internedIDCounter = 17000; /** an arbitrary statement identifier. Start at some high number to @@ -80,7 +80,7 @@ } compile(args[0], System.out); } - + public static void compile(String in, PrintStream out) throws CompilationException { Karajan me = new Karajan(); StringTemplateGroup templates; @@ -109,7 +109,7 @@ out.println(code.toString()); } - public static ProgramDocument parseProgramXML(String defs) + public static ProgramDocument parseProgramXML(String defs) throws XmlException, IOException { XmlOptions options = new XmlOptions(); @@ -137,7 +137,7 @@ } public Karajan() { - // Built-in procedures + // Built-in procedures proceduresMap = ProcedureSignature.makeProcedureSignatures(); // Built-in functions functionsMap = ProcedureSignature.makeFunctionSignatures(); @@ -168,7 +168,7 @@ String lib_path = System.getenv("SWIFT_LIB"); String swiftfilename = moduleToImport+".swift"; String xmlfilename = moduleToImport+".xml"; - + File local = new File(swiftfilename); if( !( lib_path == null || local.exists() ) ) { @@ -176,9 +176,9 @@ while(st.hasMoreTokens()) { String path = st.nextToken(); - String lib_script_location = path + "/" + swiftfilename; + String lib_script_location = path + "/" + swiftfilename; File tmp = new File(lib_script_location); - + if(tmp.exists()) { swiftfilename = path + "/" + swiftfilename; @@ -186,9 +186,9 @@ moduleToImport = path + "/" + moduleToImport; break; } - } + } } - + try { VDLt2VDLx.compile(new FileInputStream(swiftfilename),new PrintStream(new FileOutputStream(xmlfilename))); logger.debug("Compiled. Now reading in compiled XML for "+moduleToImport); @@ -226,15 +226,15 @@ checkIsTypeDefined(typeAlias); st.setAttribute("type", typeAlias); } - + TypeStructure ts = theType.getTypestructure(); - for (int j = 0; j < ts.sizeOfMemberArray(); j++) { + for (int j = 0; j < ts.sizeOfMemberArray(); j++) { TypeRow tr = ts.getMemberArray(j); - + StringTemplate stMember = template("memberdefinition"); stMember.setAttribute("name", tr.getMembername()); stMember.setAttribute("type", tr.getMembertype()); - + st.setAttribute("members", stMember); } scope.bodyTemplate.setAttribute("types", st); @@ -249,10 +249,10 @@ Procedure proc = prog.getProcedureArray(i); ProcedureSignature ps = new ProcedureSignature(proc.getName()); ps.setInputArgs(proc.getInputArray()); - ps.setOutputArgs(proc.getOutputArray()); + ps.setOutputArgs(proc.getOutputArray()); proceduresMap.put(proc.getName(), ps); } - + for (int i = 0; i < prog.sizeOfProcedureArray(); i++) { Procedure proc = prog.getProcedureArray(i); procedure(proc, scope); @@ -276,7 +276,7 @@ while(it.hasNext()) { processTypes((Program)it.next(), scope); } - + it=importList.iterator(); while(it.hasNext()) { statementsForSymbols((Program)it.next(), scope); @@ -331,12 +331,12 @@ if ((bind = proc.getBinding()) != null) { binding(bind, procST, innerScope); } - else { + else { VariableScope compoundScope = new VariableScope(this, innerScope); compoundScope.bodyTemplate = procST; - statementsForSymbols(proc, compoundScope); - statements(proc, compoundScope); - } + statementsForSymbols(proc, compoundScope); + statements(proc, compoundScope); + } } public StringTemplate parameter(FormalParameter param, VariableScope scope) throws CompilationException { @@ -418,7 +418,7 @@ if (param.getAbstractExpression().getDomNode().getNodeName().equals("stringConstant")) { StringTemplate valueST = template("sConst"); valueST.setAttribute("innervalue", param.getAbstractExpression().getDomNode().getFirstChild().getNodeValue()); - paramST.setAttribute("expr",valueST); + paramST.setAttribute("expr",valueST); } else { paramST.setAttribute("expr",variableReferenceST); @@ -446,10 +446,10 @@ scope.bodyTemplate.setAttribute("declarations", variableST); } - void checkIsTypeDefined(String type) throws CompilationException { + void checkIsTypeDefined(String type) throws CompilationException { while (type.length() > 2 && type.substring(type.length() - 2).equals("[]")) - type = type.substring(0, type.length() - 2); - if (!type.equals("int") && !type.equals("float") && !type.equals("string") + type = type.substring(0, type.length() - 2); + if (!type.equals("int") && !type.equals("float") && !type.equals("string") && !type.equals("boolean") && !type.equals("external")) { boolean typeDefined = typesMap.containsKey(type); if (!typeDefined) @@ -549,16 +549,16 @@ public StringTemplate call(Call call, VariableScope scope, boolean inhibitOutput) throws CompilationException { try { - // Check is called procedure declared previously + // Check is called procedure declared previously String procName = call.getProc().getLocalPart(); if (proceduresMap.get(procName) == null) throw new CompilationException("Procedure " + procName + " is not declared."); - - // Check procedure arguments + + // Check procedure arguments int noOfOptInArgs = 0; Map inArgs = new HashMap(); Map outArgs = new HashMap(); - + ProcedureSignature proc = (ProcedureSignature)proceduresMap.get(procName); StringTemplate callST; if(proc.getInvocationMode() == ProcedureSignature.INVOCATION_USERDEFINED) { @@ -569,48 +569,48 @@ throw new CompilationException("Unknown procedure invocation mode "+proc.getInvocationMode()); } callST.setAttribute("func", call.getProc().getLocalPart()); - /* Does number of input arguments match */ + /* Does number of input arguments match */ for (int i = 0; i < proc.sizeOfInputArray(); i++) { if (proc.getInputArray(i).isOptional()) noOfOptInArgs++; inArgs.put(proc.getInputArray(i).getName(), proc.getInputArray(i)); - } - if (!proc.getAnyNumOdInputArgs() && (call.sizeOfInputArray() < proc.sizeOfInputArray() - noOfOptInArgs || + } + if (!proc.getAnyNumOfInputArgs() && (call.sizeOfInputArray() < proc.sizeOfInputArray() - noOfOptInArgs || call.sizeOfInputArray() > proc.sizeOfInputArray())) - throw new CompilationException("Wrong number of procedure input arguments: specified " + call.sizeOfInputArray() + + throw new CompilationException("Wrong number of procedure input arguments: specified " + call.sizeOfInputArray() + " and should be " + proc.sizeOfInputArray()); - + /* Does number of output arguments match - no optional output args */ for (int i = 0; i < proc.sizeOfOutputArray(); i++) { outArgs.put(proc.getOutputArray(i).getName(), proc.getOutputArray(i)); } - if (!proc.getAnyNumOdOutputArgs() && (call.sizeOfOutputArray() != proc.sizeOfOutputArray())) - throw new CompilationException("Wrong number of procedure output arguments: specified " + call.sizeOfOutputArray() + + if (!proc.getAnyNumOfOutputArgs() && (call.sizeOfOutputArray() != proc.sizeOfOutputArray())) + throw new CompilationException("Wrong number of procedure output arguments: specified " + call.sizeOfOutputArray() + " and should be " + proc.sizeOfOutputArray()); - - + + boolean keywordArgsInput = true; for (int i = 0; i < call.sizeOfInputArray(); i++) { if (!call.getInputArray(i).isSetBind()) { keywordArgsInput = false; break; } - } - if (proc.getAnyNumOdInputArgs()) { + } + if (proc.getAnyNumOfInputArgs()) { /* If procedure can have any number of input args, we don't do typechecking */ - for (int i = 0; i < call.sizeOfInputArray(); i++) { + for (int i = 0; i < call.sizeOfInputArray(); i++) { ActualParameter input = call.getInputArray(i); StringTemplate argST = actualParameter(input, scope); callST.setAttribute("inputs", argST); } - } else if (keywordArgsInput) { - /* if ALL arguments are specified by name=value */ + } else if (keywordArgsInput) { + /* if ALL arguments are specified by name=value */ int noOfMandArgs = 0; - for (int i = 0; i < call.sizeOfInputArray(); i++) { + for (int i = 0; i < call.sizeOfInputArray(); i++) { ActualParameter input = call.getInputArray(i); StringTemplate argST = actualParameter(input, scope); callST.setAttribute("inputs", argST); - + if (!inArgs.containsKey(input.getBind())) throw new CompilationException("Formal argument " + input.getBind() + " doesn't exist"); FormalArgumentSignature formalArg = (FormalArgumentSignature)inArgs.get(input.getBind()); @@ -619,11 +619,11 @@ if (!formalArg.isAnyType() && !actualType.equals(formalType)) throw new CompilationException("Wrong type for parameter number " + i + ", expected " + formalType + ", got " + actualType); - + if (!formalArg.isOptional()) noOfMandArgs++; } - if (!proc.getAnyNumOdInputArgs() && noOfMandArgs < proc.sizeOfInputArray() - noOfOptInArgs) + if (!proc.getAnyNumOfInputArgs() && noOfMandArgs < proc.sizeOfInputArray() - noOfOptInArgs) throw new CompilationException("Mandatory argument missing"); } else { /* Positional arguments */ /* Checking types of mandatory arguments */ @@ -631,21 +631,21 @@ ActualParameter input = call.getInputArray(i); StringTemplate argST = actualParameter(input, scope); callST.setAttribute("inputs", argST); - + FormalArgumentSignature formalArg = ((ProcedureSignature)proceduresMap.get(procName)).getInputArray(i); - String formalType = formalArg.getType(); + String formalType = formalArg.getType(); String actualType = datatype(argST); if (!formalArg.isAnyType() && !actualType.equals(formalType)) throw new CompilationException("Wrong type for parameter number " + i + - ", expected " + formalType + ", got " + actualType); + ", expected " + formalType + ", got " + actualType); } /* Checking types of optional arguments */ for (int i = proc.sizeOfInputArray() - noOfOptInArgs; i < call.sizeOfInputArray(); i++) { ActualParameter input = call.getInputArray(i); StringTemplate argST = actualParameter(input, scope); callST.setAttribute("inputs", argST); - - String formalName = input.getBind(); + + String formalName = input.getBind(); if (!inArgs.containsKey(formalName)) throw new CompilationException("Formal argument " + formalName + " doesn't exist"); FormalArgumentSignature formalArg = (FormalArgumentSignature)inArgs.get(formalName); @@ -653,20 +653,20 @@ String actualType = datatype(argST); if (!formalArg.isAnyType() && !actualType.equals(formalType)) throw new CompilationException("Wrong type for parameter " + formalName + - ", expected " + formalType + ", got " + actualType); + ", expected " + formalType + ", got " + actualType); } } - + boolean keywordArgsOutput = true; for (int i = 0; i < call.sizeOfOutputArray(); i++) { if (!call.getOutputArray(i).isSetBind()) { keywordArgsOutput = false; break; } - } - if (proc.getAnyNumOdOutputArgs()) { + } + if (proc.getAnyNumOfOutputArgs()) { /* If procedure can have any number of output args, we don't do typechecking */ - for (int i = 0; i < call.sizeOfOutputArray(); i++) { + for (int i = 0; i < call.sizeOfOutputArray(); i++) { ActualParameter output = call.getOutputArray(i); StringTemplate argST = actualParameter(output, scope); callST.setAttribute("outputs", argST); @@ -674,13 +674,13 @@ scope.addWriter(rootvar, new Integer(callID++), rootVariableIsPartial(call.getOutputArray(i).getAbstractExpression())); } } - if (keywordArgsOutput) { - /* if ALL arguments are specified by name=value */ - for (int i = 0; i < call.sizeOfOutputArray(); i++) { + if (keywordArgsOutput) { + /* if ALL arguments are specified by name=value */ + for (int i = 0; i < call.sizeOfOutputArray(); i++) { ActualParameter output = call.getOutputArray(i); StringTemplate argST = actualParameter(output, scope); callST.setAttribute("outputs", argST); - + if (!outArgs.containsKey(output.getBind())) throw new CompilationException("Formal argument " + output.getBind() + " doesn't exist"); FormalArgumentSignature formalArg = (FormalArgumentSignature)outArgs.get(output.getBind()); @@ -689,30 +689,30 @@ if (!formalArg.isAnyType() && !actualType.equals(formalType)) throw new CompilationException("Wrong type for output parameter number " + i + ", expected " + formalType + ", got " + actualType); - + String rootvar = abstractExpressionToRootVariable(call.getOutputArray(i).getAbstractExpression()); scope.addWriter(rootvar, new Integer(callID++), rootVariableIsPartial(call.getOutputArray(i).getAbstractExpression())); - } + } } else { /* Positional arguments */ for (int i = 0; i < call.sizeOfOutputArray(); i++) { ActualParameter output = call.getOutputArray(i); StringTemplate argST = actualParameter(output, scope); callST.setAttribute("outputs", argST); - - FormalArgumentSignature formalArg =((ProcedureSignature)proceduresMap.get(procName)).getOutputArray(i); + + FormalArgumentSignature formalArg =((ProcedureSignature)proceduresMap.get(procName)).getOutputArray(i); String formalType = formalArg.getType(); - + /* type check positional output args */ String actualType = datatype(argST); if (!formalArg.isAnyType() && !actualType.equals(formalType)) throw new CompilationException("Wrong type for parameter number " + i + ", expected " + formalType + ", got " + actualType); - + String rootvar = abstractExpressionToRootVariable(call.getOutputArray(i).getAbstractExpression()); scope.addWriter(rootvar, new Integer(callID++), rootVariableIsPartial(call.getOutputArray(i).getAbstractExpression())); } - } - + } + if (!inhibitOutput) { scope.appendStatement(callST); } @@ -756,20 +756,20 @@ StringTemplate foreachST = template("foreach"); foreachST.setAttribute("var", foreach.getVar()); foreachST.setAttribute("line", foreach.getSrc().substring(foreach.getSrc().indexOf(' ') + 1)); - + XmlObject in = foreach.getIn().getAbstractExpression(); StringTemplate inST = expressionToKarajan(in, scope); foreachST.setAttribute("in", inST); - + String inType = datatype(inST); if (inType.length() < 2 || !inType.substring(inType.length() - 2).equals("[]")) throw new CompilationException("You can iterate through an array structure only"); - String varType = inType.substring(0, inType.length() - 2); + String varType = inType.substring(0, inType.length() - 2); innerScope.addVariable(foreach.getVar(), varType); foreachST.setAttribute("indexVar", foreach.getIndexVar()); if(foreach.getIndexVar() != null) { innerScope.addVariable(foreach.getIndexVar(), "int"); - } + } innerScope.bodyTemplate = foreachST; @@ -799,7 +799,7 @@ ifST.setAttribute("condition", conditionST.toString()); if (!datatype(conditionST).equals("boolean")) throw new CompilationException ("Condition in if statement has to be of boolean type."); - + Then thenstat = ifstat.getThen(); Else elsestat = ifstat.getElse(); @@ -842,7 +842,7 @@ scope.bodyTemplate.setAttribute("statements", switchST); StringTemplate conditionST = expressionToKarajan(switchstat.getAbstractExpression(), scope); switchST.setAttribute("condition", conditionST.toString()); - + /* TODO can switch statement can be anything apart from int and float ? */ if (!datatype(conditionST).equals("int") && !datatype(conditionST).equals("float")) throw new CompilationException("Condition in switch statements has to be of numeric type."); @@ -852,7 +852,7 @@ VariableScope caseScope = new VariableScope(this, scope); caseScope.bodyTemplate = new StringTemplate("case"); switchST.setAttribute("cases", caseScope.bodyTemplate); - + caseStat(casestat, caseScope); Iterator caseScopeIterator = caseScope.getVariableIterator(); @@ -911,8 +911,8 @@ StringTemplate argumentST = expressionToKarajan(argument, scope); String type = datatype(argumentST); if(type.equals("string") || type.equals("string[]") - || type.equals("int") || type.equals("float") - || type.equals("int[]") || type.equals("float[]") + || type.equals("int") || type.equals("float") + || type.equals("int[]") || type.equals("float[]") || type.equals("boolean") || type.equals("boolean[]")) { appST.setAttribute("arguments", argumentST); } else { @@ -942,7 +942,7 @@ public StringTemplate function(Function func, VariableScope scope) throws CompilationException { StringTemplate funcST = template("function"); funcST.setAttribute("name", func.getName()); - ProcedureSignature funcSignature = (ProcedureSignature) functionsMap.get(func.getName()); + ProcedureSignature funcSignature = (ProcedureSignature) functionsMap.get(func.getName()); if(funcSignature == null) { throw new CompilationException("Unknown function: @"+func.getName()); } @@ -950,28 +950,28 @@ int noOfOptInArgs = 0; for (int i = 0; i < funcSignature.sizeOfInputArray(); i++) { if (funcSignature.getInputArray(i).isOptional()) - noOfOptInArgs++; - } - if (!funcSignature.getAnyNumOdInputArgs() && + noOfOptInArgs++; + } + if (!funcSignature.getAnyNumOfInputArgs() && (arguments.length < funcSignature.sizeOfInputArray() - noOfOptInArgs || arguments.length > funcSignature.sizeOfInputArray())) - throw new CompilationException("Wrong number of function input arguments: specified " + + throw new CompilationException("Wrong number of function input arguments: specified " + arguments.length + " and should be " + funcSignature.sizeOfInputArray()); - + for(int i = 0; i < arguments.length; i++ ) { StringTemplate exprST = expressionToKarajan(arguments[i], scope); funcST.setAttribute("args", exprST); - + /* Type check of function arguments */ - if (!funcSignature.getAnyNumOdInputArgs()) { + if (!funcSignature.getAnyNumOfInputArgs()) { String actualType = datatype(exprST); FormalArgumentSignature fas = funcSignature.getInputArray(i); - if (!fas.isAnyType() && !fas.getType().equals(actualType)) + if (!fas.isAnyType() && !fas.getType().equals(actualType)) throw new CompilationException("Wrong type for parameter number " + i + ", expected " + fas.getType() + ", got " + actualType); } } - + return funcST; } @@ -1015,7 +1015,7 @@ st.setAttribute("right", rightST); if (datatype(leftST).equals("boolean") && datatype(rightST).equals("boolean")) st.setAttribute("datatype", "boolean"); - else + else throw new CompilationException("Or operation can only be applied to parameters of type boolean."); return st; } else if (expressionQName.equals(AND_EXPR)) { @@ -1028,7 +1028,7 @@ st.setAttribute("right", rightST); if (datatype(leftST).equals("boolean") && datatype(rightST).equals("boolean")) st.setAttribute("datatype", "boolean"); - else + else throw new CompilationException("And operation can only be applied to parameters of type boolean."); return st; } else if (expressionQName.equals(BOOL_EXPR)) { @@ -1036,7 +1036,7 @@ boolean b = xmlBoolean.getBooleanValue(); StringTemplate st = template("bConst"); st.setAttribute("value",""+b); - st.setAttribute("datatype", "boolean"); + st.setAttribute("datatype", "boolean"); return st; } else if (expressionQName.equals(INT_EXPR)) { XmlInt xmlInt = (XmlInt) expression; @@ -1089,9 +1089,9 @@ StringTemplate rightST = expressionToKarajan(o.getAbstractExpressionArray(1), scope); st.setAttribute("op", o.getOp()); st.setAttribute("left", leftST); - st.setAttribute("right", rightST); - - checkTypesInCondExpr(o.getOp(), datatype(leftST), datatype(rightST), st); + st.setAttribute("right", rightST); + + checkTypesInCondExpr(o.getOp(), datatype(leftST), datatype(rightST), st); return st; } else if (expressionQName.equals(ARITH_EXPR)) { LabelledBinaryOperator o = (LabelledBinaryOperator) expression; @@ -1100,9 +1100,9 @@ StringTemplate leftST = expressionToKarajan(o.getAbstractExpressionArray(0), scope); StringTemplate rightST = expressionToKarajan(o.getAbstractExpressionArray(1), scope); st.setAttribute("left", leftST); - st.setAttribute("right", rightST); - - checkTypesInArithmExpr(o.getOp(), datatype(leftST), datatype(rightST), st); + st.setAttribute("right", rightST); + + checkTypesInArithmExpr(o.getOp(), datatype(leftST), datatype(rightST), st); return st; } else if (expressionQName.equals(UNARY_NEGATION_EXPR)) { UnlabelledUnaryOperator e = (UnlabelledUnaryOperator) expression; @@ -1121,7 +1121,7 @@ st.setAttribute("exp", expST); if (datatype(expST).equals("boolean")) st.setAttribute("datatype", "boolean"); - else + else throw new CompilationException("Not operation can only be applied to parameter of type boolean."); return st; } else if (expressionQName.equals(VARIABLE_REFERENCE_EXPR)) { @@ -1133,7 +1133,7 @@ StringTemplate st = template("id"); st.setAttribute("var", s); String actualType; - + actualType = scope.getVariableType(s); st.setAttribute("datatype", actualType); return st; @@ -1156,8 +1156,8 @@ StringTemplate newst = template("extractarrayelement"); newst.setAttribute("arraychild", arrayST); newst.setAttribute("parent", parentST); - - String arrayType = datatype(parentST); + + String arrayType = datatype(parentST); if (datatype(arrayST).equals("int")) { newst.setAttribute("datatype", arrayType.substring(0, arrayType.length()-2)); } else { @@ -1168,7 +1168,7 @@ } else if (expressionQName.equals(STRUCTURE_MEMBER_EXPR)) { StructureMember sm = (StructureMember) expression; StringTemplate parentST = expressionToKarajan(sm.getAbstractExpression(), scope); - + String parentType = datatype(parentST); @@ -1181,7 +1181,7 @@ parentType = parentType.substring(0, parentType.length() - 2); } - String actualType = null; + String actualType = null; // TODO this should be a map lookup of some kind? Type t = (Type)typesMap.get(parentType); @@ -1194,7 +1194,7 @@ break; } if (j == ts.sizeOfMemberArray()) - throw new CompilationException("No member " + sm.getMemberName() + " in structure " + parentType); + throw new CompilationException("No member " + sm.getMemberName() + " in structure " + parentType); } if (actualType == null) { throw new CompilationException("Type " + parentType + " is not defined."); @@ -1204,13 +1204,13 @@ StringTemplate newst = template("slicearray"); newst.setAttribute("parent", parentST); newst.setAttribute("memberchild", sm.getMemberName()); - newst.setAttribute("datatype", actualType); + newst.setAttribute("datatype", actualType); return newst; } else { StringTemplate newst = template("extractstructelement"); newst.setAttribute("parent", parentST); newst.setAttribute("memberchild", sm.getMemberName()); - newst.setAttribute("datatype", actualType); + newst.setAttribute("datatype", actualType); return newst; } // TODO the template layout for this and ARRAY_SUBSCRIPT are @@ -1227,7 +1227,7 @@ elemType = datatype(elemST); else if (!elemType.equals(datatype(elemST))) throw new CompilationException("Wrong array element type."); - st.setAttribute("elements", elemST); + st.setAttribute("elements", elemST); } if (elemType.equals("")) logger.warn("WARNING: Empty array constant"); @@ -1245,18 +1245,18 @@ stepST = expressionToKarajan(range.getAbstractExpressionArray(2), scope); st.setAttribute("step", stepST); } - + String fromType = datatype(fromST); String toType = datatype(toST); if (stepST == null && (!fromType.equals("int") || !toType.equals("int"))) throw new CompilationException("Step in range specification can be omitted only when from and to types are int"); - else if ((fromType.equals("int") && toType.equals("int")) && + else if ((fromType.equals("int") && toType.equals("int")) && (stepST == null || datatype(stepST).equals("int"))) st.setAttribute("datatype", "int[]"); - else if (fromType.equals("float") && toType.equals("float") && + else if (fromType.equals("float") && toType.equals("float") && datatype(stepST).equals("float")) st.setAttribute("datatype", "float[]"); - else + else throw new CompilationException("Range can only be specified with numeric types"); return st; } else if (expressionQName.equals(FUNCTION_EXPR)) { @@ -1273,25 +1273,25 @@ return st; } else if (expressionQName.equals(CALL_EXPR)) { Call c = (Call) expression; - c.addNewOutput(); + c.addNewOutput(); VariableScope subscope = new VariableScope(this, scope); VariableReferenceDocument ref = VariableReferenceDocument.Factory.newInstance(); ref.setVariableReference("swift#callintermediate"); c.getOutputArray(0).set(ref); String name = c.getProc().getLocalPart(); ProcedureSignature funcSignature = (ProcedureSignature) proceduresMap.get(name); - + if (funcSignature == null) { throw new CompilationException("Procedure " + name + " is not defined."); } - + if (funcSignature.sizeOfOutputArray() != 1) { throw new CompilationException("Procedure " + name + " must have exactly one " + "return value to be used in an expression."); } - + StringTemplate call = template("callexpr"); - + String type = funcSignature.getOutputArray(0).getType(); subscope.addInternalVariable("swift#callintermediate", type); @@ -1303,7 +1303,7 @@ } else { throw new CompilationException("unknown expression implemented by class "+expression.getClass()+" with node name "+expressionQName +" and with content "+expression); } - // perhaps one big throw catch block surrounding body of this method + // perhaps one big throw catch block surrounding body of this method // which shows Compiler Exception and line number of error } @@ -1311,31 +1311,31 @@ throws CompilationException { if (left.equals(right)) st.setAttribute("datatype", "boolean"); - else + else throw new CompilationException("Conditional operator can only be applied to parameters of same type."); - - if ((op.equals("==") || op.equals("!=")) && !left.equals("int") && !left.equals("float") + + if ((op.equals("==") || op.equals("!=")) && !left.equals("int") && !left.equals("float") && !left.equals("string") && !left.equals("boolean")) - throw new CompilationException("Conditional operator " + op + + throw new CompilationException("Conditional operator " + op + " can only be applied to parameters of type int, float, string and boolean."); - - if ((op.equals("<=") || op.equals(">=") || op.equals(">") || op.equals("<")) + + if ((op.equals("<=") || op.equals(">=") || op.equals(">") || op.equals("<")) && !left.equals("int") && !left.equals("float") && !left.equals("string")) - throw new CompilationException("Conditional operator " + op + + throw new CompilationException("Conditional operator " + op + " can only be applied to parameters of type int, float and string."); } - + void checkTypesInArithmExpr(String op, String left, String right, StringTemplate st) throws CompilationException { if (left.equals(right)) st.setAttribute("datatype", left); - else + else throw new CompilationException("Arithmetic operation can only be applied to parameters of same type."); - + if (op.equals("+") && !left.equals("int") && !left.equals("float") && !left.equals("string")) throw new CompilationException("Arithmetic operation + can only be applied to parameters of type int, float and string."); if ((op.equals("-") || op.equals("*")) && !left.equals("int") && !left.equals("float")) - throw new CompilationException("Arithmetic operation " + op + + throw new CompilationException("Arithmetic operation " + op + " can only be applied to parameters of type int and float."); if (op.equals("/") && !left.equals("float")) throw new CompilationException("Arithmetic operation / can only be applied to parameters of type float."); @@ -1426,15 +1426,15 @@ String escapeQuotes(String in) { return in.replaceAll("\"", """); } - + String datatype(StringTemplate st) { String result = null; - try { + try { result = st.getAttribute("datatype").toString(); } - catch (Exception e) { - throw new RuntimeException("Not typed properly: " + st); + catch (Exception e) { + throw new RuntimeException("Not typed properly: " + st); } - return result; + return result; } } From wozniak at ci.uchicago.edu Mon Apr 4 08:53:29 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 4 Apr 2011 08:53:29 -0500 (CDT) Subject: [Swift-commit] r4253 - trunk/tests/functions Message-ID: <20110404135329.6889D9CCA0@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-04 08:53:29 -0500 (Mon, 04 Apr 2011) New Revision: 4253 Added: trunk/tests/functions/105-assert-loop.check.sh trunk/tests/functions/105-assert-loop.swift Log: More complex assert test Added: trunk/tests/functions/105-assert-loop.check.sh =================================================================== --- trunk/tests/functions/105-assert-loop.check.sh (rev 0) +++ trunk/tests/functions/105-assert-loop.check.sh 2011-04-04 13:53:29 UTC (rev 4253) @@ -0,0 +1,10 @@ +#!/bin/bash + +set -x + +grep I_IS_4 stdout.txt || exit 1 + +LINES=$( grep -c "i:" stdout.txt ) +[[ ${LINES} == 5 ]] || exit 1 + +exit 0 Property changes on: trunk/tests/functions/105-assert-loop.check.sh ___________________________________________________________________ Name: svn:executable + * Added: trunk/tests/functions/105-assert-loop.swift =================================================================== --- trunk/tests/functions/105-assert-loop.swift (rev 0) +++ trunk/tests/functions/105-assert-loop.swift 2011-04-04 13:53:29 UTC (rev 4253) @@ -0,0 +1,8 @@ + +// THIS-SCRIPT-SHOULD-FAIL + +foreach i in [1:5] +{ + tracef("i: %i\n", i); + assert(i != 4, "I_IS_4"); +} From wozniak at ci.uchicago.edu Mon Apr 4 09:03:39 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 4 Apr 2011 09:03:39 -0500 (CDT) Subject: [Swift-commit] r4254 - trunk/tests/functions Message-ID: <20110404140339.8EFB79CCA0@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-04 09:03:39 -0500 (Mon, 04 Apr 2011) New Revision: 4254 Added: trunk/tests/functions/106-assert-iter.check.sh trunk/tests/functions/106-assert-iter.swift Log: Try to crash inside an iterate- does not work Added: trunk/tests/functions/106-assert-iter.check.sh =================================================================== --- trunk/tests/functions/106-assert-iter.check.sh (rev 0) +++ trunk/tests/functions/106-assert-iter.check.sh 2011-04-04 14:03:39 UTC (rev 4254) @@ -0,0 +1,10 @@ +#!/bin/bash + +set -x + +grep I_IS_4 stdout.txt || exit 1 + +LINES=$( grep -c "i:" stdout.txt ) +[[ ${LINES} == 5 ]] || exit 1 + +exit 0 Property changes on: trunk/tests/functions/106-assert-iter.check.sh ___________________________________________________________________ Name: svn:executable + * Added: trunk/tests/functions/106-assert-iter.swift =================================================================== --- trunk/tests/functions/106-assert-iter.swift (rev 0) +++ trunk/tests/functions/106-assert-iter.swift 2011-04-04 14:03:39 UTC (rev 4254) @@ -0,0 +1,10 @@ + +// Swift does not support this yet + +// THIS-SCRIPT-SHOULD-FAIL + +iterate i +{ + tracef("i: %i\n", i); + assert(i != 4, "I_IS_4"); +} until (false); From wozniak at ci.uchicago.edu Mon Apr 4 10:36:32 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 4 Apr 2011 10:36:32 -0500 (CDT) Subject: [Swift-commit] r4255 - trunk/src/org/griphyn/vdl/karajan/lib Message-ID: <20110404153632.E72229CC6B@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-04 10:36:32 -0500 (Mon, 04 Apr 2011) New Revision: 4255 Modified: trunk/src/org/griphyn/vdl/karajan/lib/VDLFunction.java Log: Better handling of Swift assert() failure Modified: trunk/src/org/griphyn/vdl/karajan/lib/VDLFunction.java =================================================================== --- trunk/src/org/griphyn/vdl/karajan/lib/VDLFunction.java 2011-04-04 14:03:39 UTC (rev 4254) +++ trunk/src/org/griphyn/vdl/karajan/lib/VDLFunction.java 2011-04-04 15:36:32 UTC (rev 4255) @@ -32,6 +32,7 @@ import org.globus.swift.catalog.TCEntry; import org.globus.swift.catalog.transformation.File; import org.globus.swift.catalog.types.TCType; +import org.griphyn.vdl.karajan.AssertFailedException; import org.griphyn.vdl.karajan.TCCache; import org.griphyn.vdl.karajan.VDL2FutureException; import org.griphyn.vdl.karajan.WrapperMap; @@ -50,7 +51,6 @@ import org.griphyn.vdl.util.FQN; import org.griphyn.vdl.util.VDL2ConfigProperties; - public abstract class VDLFunction extends SequentialWithArguments { public static final Logger logger = Logger.getLogger(VDLFunction.class); @@ -58,7 +58,7 @@ public static final Arg OA_PATH = new Arg.Optional("path", ""); public static final Arg PA_PATH = new Arg.Positional("path"); - public static final Arg PA_VAR = new Arg.Positional("var"); + public static final Arg PA_VAR = new Arg.Positional("var"); public static final Arg OA_ISARRAY = new Arg.Optional("isArray", Boolean.FALSE); public final void post(VariableStack stack) throws ExecutionException { @@ -69,6 +69,10 @@ } super.post(stack); } + catch (AssertFailedException e) { + logger.fatal("swift: assert failed: " + e.getMessage()); + stack.getExecutionContext().failedQuietly(stack, e); + } catch (HandleOpenException e) { throw new FutureNotYetAvailable(VDLFunction.addFutureListener(stack, e.getSource())); } From wozniak at ci.uchicago.edu Mon Apr 4 10:37:22 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 4 Apr 2011 10:37:22 -0500 (CDT) Subject: [Swift-commit] r4256 - trunk/src/org/griphyn/vdl/karajan Message-ID: <20110404153722.DE9469CC6B@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-04 10:37:22 -0500 (Mon, 04 Apr 2011) New Revision: 4256 Modified: trunk/src/org/griphyn/vdl/karajan/AssertFailedException.java Log: Possibly better class definition Modified: trunk/src/org/griphyn/vdl/karajan/AssertFailedException.java =================================================================== --- trunk/src/org/griphyn/vdl/karajan/AssertFailedException.java 2011-04-04 15:36:32 UTC (rev 4255) +++ trunk/src/org/griphyn/vdl/karajan/AssertFailedException.java 2011-04-04 15:37:22 UTC (rev 4256) @@ -1,13 +1,15 @@ package org.griphyn.vdl.karajan; +import org.globus.cog.karajan.workflow.ExecutionException; + /** * Generated only by SwiftScript @assert(). * * Created on September 27, 2010 * @author wozniak */ -public class AssertFailedException extends RuntimeException { +public class AssertFailedException extends ExecutionException { private static final long serialVersionUID = 1L; From wozniak at ci.uchicago.edu Mon Apr 4 10:37:34 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 4 Apr 2011 10:37:34 -0500 (CDT) Subject: [Swift-commit] r4257 - trunk/tests/groups Message-ID: <20110404153734.A7C4A9CC6B@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-04 10:37:34 -0500 (Mon, 04 Apr 2011) New Revision: 4257 Added: trunk/tests/groups/group-functions.sh Log: Adding Added: trunk/tests/groups/group-functions.sh =================================================================== --- trunk/tests/groups/group-functions.sh (rev 0) +++ trunk/tests/groups/group-functions.sh 2011-04-04 15:37:34 UTC (rev 4257) @@ -0,0 +1,6 @@ + +# GROUPLIST definition to run sge tests + +GROUPLIST=( + $TESTDIR/functions +) From wozniak at ci.uchicago.edu Mon Apr 4 10:37:56 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 4 Apr 2011 10:37:56 -0500 (CDT) Subject: [Swift-commit] r4258 - trunk/tests/functions Message-ID: <20110404153756.F10919CC6B@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-04 10:37:56 -0500 (Mon, 04 Apr 2011) New Revision: 4258 Modified: trunk/tests/functions/100-assert-int.check.sh Log: Fix test check wrt new assertion failure output Modified: trunk/tests/functions/100-assert-int.check.sh =================================================================== --- trunk/tests/functions/100-assert-int.check.sh 2011-04-04 15:37:34 UTC (rev 4257) +++ trunk/tests/functions/100-assert-int.check.sh 2011-04-04 15:37:56 UTC (rev 4258) @@ -2,6 +2,6 @@ set -x -grep AssertFailedException stdout.txt || exit 1 +grep "assert failed" stdout.txt || exit 1 exit 0 From wozniak at ci.uchicago.edu Mon Apr 4 10:42:32 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 4 Apr 2011 10:42:32 -0500 (CDT) Subject: [Swift-commit] r4259 - trunk/tests/functions Message-ID: <20110404154232.579E99CC6B@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-04 10:42:32 -0500 (Mon, 04 Apr 2011) New Revision: 4259 Modified: trunk/tests/functions/106-assert-iter.swift Log: Drop note- this does work now Modified: trunk/tests/functions/106-assert-iter.swift =================================================================== --- trunk/tests/functions/106-assert-iter.swift 2011-04-04 15:37:56 UTC (rev 4258) +++ trunk/tests/functions/106-assert-iter.swift 2011-04-04 15:42:32 UTC (rev 4259) @@ -1,6 +1,4 @@ -// Swift does not support this yet - // THIS-SCRIPT-SHOULD-FAIL iterate i From wozniak at ci.uchicago.edu Mon Apr 4 12:54:49 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 4 Apr 2011 12:54:49 -0500 (CDT) Subject: [Swift-commit] r4260 - trunk/bin Message-ID: <20110404175449.DB8459CCA0@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-04 12:54:49 -0500 (Mon, 04 Apr 2011) New Revision: 4260 Modified: trunk/bin/swift Log: Allow swift to be killed Modified: trunk/bin/swift =================================================================== --- trunk/bin/swift 2011-04-04 15:42:32 UTC (rev 4259) +++ trunk/bin/swift 2011-04-04 17:54:49 UTC (rev 4260) @@ -147,6 +147,12 @@ $BASH -c "echo $KEY $USERID $SCRIPTID $SCRIPTLENGTH -1 0 > /dev/udp/$LISTENER/$PORT" > /dev/null 2>&1 & fi +trap_swift() { + sleep 1 + SWIFT_JAVA_PID=$( ps --ppid $SWIFT_EVAL_PID | tail -n 1 | cut -d ' ' -f 1 ) + kill $SWIFT_JAVA_PID +} + ### EXECUTE ############ if test -n "$CYGWIN"; then set CLASSPATHSAVE=$CLASSPATH @@ -154,7 +160,10 @@ eval java ${OPTIONS} ${COG_OPTS} ${EXEC} ${CMDLINE} export CLASSPATH=$CLASSPATHSAVE else - eval java ${OPTIONS} ${COG_OPTS} -classpath ${LOCALCLASSPATH} ${EXEC} ${CMDLINE} + trap trap_swift SIGINT SIGTERM SIGQUIT + eval java ${OPTIONS} ${COG_OPTS} -classpath ${LOCALCLASSPATH} ${EXEC} ${CMDLINE} & + SWIFT_EVAL_PID=$! + wait fi return_code=$? From wozniak at ci.uchicago.edu Mon Apr 4 12:55:14 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 4 Apr 2011 12:55:14 -0500 (CDT) Subject: [Swift-commit] r4261 - trunk/tests Message-ID: <20110404175514.6FBB39CCA0@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-04 12:55:14 -0500 (Mon, 04 Apr 2011) New Revision: 4261 Modified: trunk/tests/nightly.sh Log: Improve PID mgmt Modified: trunk/tests/nightly.sh =================================================================== --- trunk/tests/nightly.sh 2011-04-04 17:54:49 UTC (rev 4260) +++ trunk/tests/nightly.sh 2011-04-04 17:55:14 UTC (rev 4261) @@ -194,6 +194,8 @@ TESTCOUNT=0 +MASTER_PID=$$ + # PIDs to kill if nightly.sh is killed: PROCESS_PID= MONITOR_PID= @@ -242,10 +244,9 @@ shutdown_trap() { SHUTDOWN=1 - printf "\n\nshutdown_trap... $MONITOR_PID $PROCESS_PID\n\n" - ps -f - kill -INT $MONITOR_PID - kill -INT $PROCESS_PID + verbose "shutdown_trap... $PROCESS_PID\n\n" + verbose "kill: process: $PROCESS_PID" + kill $PROCESS_PID } header() { @@ -587,13 +588,9 @@ printf "\nExecuting: $@" >>$LOG rm -f $OUTPUT - "$@" > $OUTPUT 2>&1 & - EXEC_PID=$! - - trap "process_exec_trap $EXEC_PID" SIGTERM SIGINT - - wait $EXEC_PID + "$@" > $OUTPUT 2>&1 EXITCODE=$? + if [ "$EXITCODE" == "127" ]; then echo "Command not found: $@" > $OUTPUT fi @@ -604,33 +601,6 @@ return $EXITCODE } -# Ensure we kill the tested process and any subordinate java processes -# in case of monitor() timeout -# Rationale: Killing bin/swift does not kill the Swift java process -process_exec_trap() { - EXEC_PID=$1 - ps -f - echo "process_exec_trap($EXEC_PID)" - kill -TERM $EXEC_PID - ps -f - # killall_swift -} - -# Kill all subordinate swift/java processes -killall_swift() { - echo "killing all swifts..." - set -x - echo $$ - ps -f - kill_this $( ps -f | grep $$'.*'java | grep -v grep ) - set +x -} - -# Kill a process given its line output from "ps -f" -kill_this() { - [ -n $2 ] && /bin/kill -KILL $2 -} - # Execute as part of test set # Equivalent to monitored_exec() (but w/o monitoring) test_exec() { @@ -668,6 +638,9 @@ # If monitor() kills the process, it returns 0 # Otherwise, return non-zero (as would result from killing # this function) + +# sleep can be hard to kill: +SLEEP_PID= monitor() { (( $VERBOSE )) && set -x @@ -677,35 +650,33 @@ V=$TESTCOUNT - # Use background so kill/trap is immediate - sleep $TIMEOUT > /dev/null 2>&1 & + sleep $TIMEOUT & SLEEP_PID=$! - trap "monitor_trap $SLEEP_PID" SIGTERM SIGINT - wait $SLEEP_PID + trap trap_sleep SIGINT SIGQUIT SIGTERM + wait [ $? != 0 ] && verbose "monitor($V) cancelled" && return 0 if ps | grep $PID then - echo "monitor($V): killing test process $PID" + verbose "monitor: killing test process $PID" touch killed_test /bin/kill -INT $PID KILLCODE=$? if [ $KILLCODE == 0 ]; then - echo "monitor($V): killed process_exec (TERM)" + verbose "monitor: killed process_exec (INT)" fi fi sleep 1 - MSG="nightly.sh: monitor($V): killed: exceeded $TIMEOUT seconds" + MSG="nightly.sh: monitor: killed: exceeded $TIMEOUT seconds" echo "$MSG" >> $OUTPUT - # trap + return 1 } -monitor_trap() { - SLEEP_PID=$1 - echo "monitor_trap(SLEEP_PID)..." - /bin/kill -INT $SLEEP_PID +trap_sleep() { + verbose "killing sleep: $SLEEP_PID" + kill $SLEEP_PID } # Execute given command line in background with monitor @@ -723,11 +694,9 @@ process_exec "$@" & PROCESS_PID=$! - echo PROCESS_PID: $PROCESS_PID monitor $PROCESS_PID $TIMEOUT $OUTPUT & MONITOR_PID=$! - echo MONITOR_PID: $MONITOR_PID wait $PROCESS_PID EXITCODE=$? @@ -736,8 +705,8 @@ # If the test was killed, monitor() may have work to do rm killed_test > /dev/null 2>&1 && sleep 5 - echo "Killing monitor..." - /bin/kill -INT $MONITOR_PID + verbose "killing monitor: $MONITOR_PID..." + kill $MONITOR_PID echo "TOOK: $(( STOP-START ))" From wozniak at ci.uchicago.edu Mon Apr 4 13:00:30 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 4 Apr 2011 13:00:30 -0500 (CDT) Subject: [Swift-commit] r4263 - in trunk/tests: . html mpi persistent-coasters Message-ID: <20110404180030.C84AF9CCA0@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-04 13:00:30 -0500 (Mon, 04 Apr 2011) New Revision: 4263 Added: trunk/tests/run-suite.sh Removed: trunk/tests/run-nightly.sh Modified: trunk/tests/README trunk/tests/html/header.html trunk/tests/meta.sh trunk/tests/mpi/README.txt trunk/tests/persistent-coasters/000-sanity.test.sh trunk/tests/sitetester trunk/tests/suite.sh Log: Rename nightly.sh to suite.sh Modified: trunk/tests/README =================================================================== --- trunk/tests/README 2011-04-04 17:57:09 UTC (rev 4262) +++ trunk/tests/README 2011-04-04 18:00:30 UTC (rev 4263) @@ -1,13 +1,13 @@ -nightly.sh: - See nightly.sh for usage +suite.sh: + See suite.sh for usage -run-nightly.sh: - wrapper for nightly.sh +run-suite.sh: + wrapper for suite.sh env variables set may be customized by user meta.sh: - wrapper for run-nightly.sh - used to execute run-nightly/nightly.sh from a remote site using ssh + wrapper for run-suite.sh + used to execute run-suite/suite.sh from a remote site using ssh example usage: meta.sh login.pads.ci.uchicago.edu /home/skenny/swift_runs/tests sites/pads-pbs-coasters.sh Modified: trunk/tests/html/header.html =================================================================== --- trunk/tests/html/header.html 2011-04-04 17:57:09 UTC (rev 4262) +++ trunk/tests/html/header.html 2011-04-04 18:00:30 UTC (rev 4263) @@ -1,6 +1,6 @@ - Swift nightly integration tests and build (_DATE_ _TIME_) + <title>Swift integration tests and build (_DATE_ _TIME_) -

Swift nightly integration tests and build

+

Swift integration tests and build

  • Date: _DATE_
  • Time: _TIME_
    • Modified: trunk/tests/meta.sh =================================================================== --- trunk/tests/meta.sh 2011-04-04 17:57:09 UTC (rev 4262) +++ trunk/tests/meta.sh 2011-04-04 18:00:30 UTC (rev 4263) @@ -1,6 +1,6 @@ #!/bin/bash -# runs run-nightly.sh (wrapper for nightly.sh) on a given site based on login +# runs run-suite.sh (wrapper for suite.sh) on a given site based on login SITE_LOGIN=$1 # e.g. login.pads.ci.uchicago.edu @@ -12,7 +12,7 @@ RUNDIR=run-$( date +"%Y-%m-%d" ) -ssh $SITE_LOGIN $DIR/run-nightly.sh $DIR/$TEST +ssh $SITE_LOGIN $DIR/run-suite.sh $DIR/$TEST scp -r $SITE_LOGIN:$RUNDIR . exit 0 Modified: trunk/tests/mpi/README.txt =================================================================== --- trunk/tests/mpi/README.txt 2011-04-04 17:57:09 UTC (rev 4262) +++ trunk/tests/mpi/README.txt 2011-04-04 18:00:30 UTC (rev 4263) @@ -1,6 +1,6 @@ Test MPICH/Coasters integration -Be sure the correct MPICH is in your PATH before running nightly.sh +Be sure the correct MPICH is in your PATH before running suite.sh See: http://www.ci.uchicago.edu/wiki/bin/view/SWFT/CoastersMpi Modified: trunk/tests/persistent-coasters/000-sanity.test.sh =================================================================== --- trunk/tests/persistent-coasters/000-sanity.test.sh 2011-04-04 17:57:09 UTC (rev 4262) +++ trunk/tests/persistent-coasters/000-sanity.test.sh 2011-04-04 18:00:30 UTC (rev 4263) @@ -1,6 +1,6 @@ #!/bin/bash -# This is just a sanity check for the nightly.sh shell script test +# This is just a sanity check for the suite.sh shell script test # mechanics echo sane Deleted: trunk/tests/run-nightly.sh =================================================================== --- trunk/tests/run-nightly.sh 2011-04-04 17:57:09 UTC (rev 4262) +++ trunk/tests/run-nightly.sh 2011-04-04 18:00:30 UTC (rev 4263) @@ -1,23 +0,0 @@ -#!/bin/bash - -# sets up environment and runs nightly.sh -# given a groupslistfile, will run nightly.sh on that site - -GROUPSLISTFILE=$1 # E.g., groups/group-all-local.sh - -# user-specific variables - -export WORK=$2 -export QUEUE=$3 -export PROJECT=$4 - -# branch testing - -export COG_VERSION=$5 -export SWIFT_VERSION=$6 - -#$2/nightly.sh -g $GROUPSLISTFILE - -$2/nightly.sh -g $GROUPSLISTFILE - -exit 0 Copied: trunk/tests/run-suite.sh (from rev 4251, trunk/tests/run-nightly.sh) =================================================================== --- trunk/tests/run-suite.sh (rev 0) +++ trunk/tests/run-suite.sh 2011-04-04 18:00:30 UTC (rev 4263) @@ -0,0 +1,23 @@ +#!/bin/bash + +# sets up environment and runs suite.sh +# given a groupslistfile, will run suite.sh on that site + +GROUPSLISTFILE=$1 # E.g., groups/group-all-local.sh + +# user-specific variables + +export WORK=$2 +export QUEUE=$3 +export PROJECT=$4 + +# branch testing + +export COG_VERSION=$5 +export SWIFT_VERSION=$6 + +#$2/suite.sh -g $GROUPSLISTFILE + +$2/suite.sh -g $GROUPSLISTFILE + +exit 0 Modified: trunk/tests/sitetester =================================================================== --- trunk/tests/sitetester 2011-04-04 17:57:09 UTC (rev 4262) +++ trunk/tests/sitetester 2011-04-04 18:00:30 UTC (rev 4263) @@ -3,10 +3,10 @@ import commands import os -# the workdir for a given site needs to exist on the site you're testing -# and should contain run-nightly & nightly.sh -# this script will ssh onto the site, pass run-nightly the necesary variables -# for running nightly.sh +# the workdir for a given site needs to exist on the site you're testing +# and should contain run-suite & suite.sh +# this script will ssh onto the site, pass run-suite the necesary variables +# for running suite.sh class Site: @@ -18,16 +18,16 @@ self.project = project def testSite(self,cogv,swiftv,test_type): - cmdline = self.logintype+" "+self.login+" "+self.workdir+"/run-nightly.sh "+self.workdir+"/"+test_type+" "+self.workdir+" "+self.queue+" "+self.project+" "+cogv+" "+swiftv + cmdline = self.logintype+" "+self.login+" "+self.workdir+"/run-suite.sh "+self.workdir+"/"+test_type+" "+self.workdir+" "+self.queue+" "+self.project+" "+cogv+" "+swiftv print "running......"+cmdline res = commands.getoutput(cmdline) print res cmdline2 = "scp -r "+s+":"+rundir+" ." res2 = commands.getoutput(cmdline) - - + + #---------------------main-------------------------------------------------------- sites = [] @@ -51,7 +51,7 @@ # loop over all or run single sites[1].testSite(cogv,swiftv,test_type) -sites[2].testSite(cogv,swiftv,test_type) +sites[2].testSite(cogv,swiftv,test_type) Modified: trunk/tests/suite.sh =================================================================== --- trunk/tests/suite.sh 2011-04-04 17:57:09 UTC (rev 4262) +++ trunk/tests/suite.sh 2011-04-04 18:00:30 UTC (rev 4263) @@ -6,9 +6,9 @@ # subdirectory called run-DATE, and generate useful HTML output and # tests.log -# Usage: nightly.sh * +# Usage: suite.sh * -# Run nightly.sh -h for quick help +# Run suite.sh -h for quick help # When something goes wrong, find and check tests.log or use -v # Code is checked out into TOPDIR (PWD by default) (PATH is not used) # The variables COG_VERSION and SWIFT_VERSION must be set for code checkout @@ -58,9 +58,9 @@ # Background processes are used so that hung Swift jobs can be killed # These are the background processes (PIDs are tracked) # Note that PID management has not yet been perfected. Check ps -# in error cases, especially if you kill nightly.sh . +# in error cases, especially if you kill suite.sh . # -# nightly.sh +# suite.sh # +-monitor() # +-sleep # +-process_exec() @@ -70,7 +70,7 @@ # FAILURE CASES # Some cases are designed to cause Swift to crash. These # SwiftScripts contain the token THIS-SCRIPT-SHOULD-FAIL somewhere. -# The response of nightly.sh to the exit code of these Swift +# The response of suite.sh to the exit code of these Swift # executions is reversed. # SCHEDULERS @@ -88,12 +88,12 @@ # E.g., providers/local-pbs/PADS # WARNINGS -# nightly.sh uses shopt +# suite.sh uses shopt shopt -s nullglob printhelp() { - echo "nightly.sh " + echo "suite.sh " echo "" echo "usage:" printf "\t -a Do not run ant dist \n" @@ -196,7 +196,7 @@ MASTER_PID=$$ -# PIDs to kill if nightly.sh is killed: +# PIDs to kill if suite.sh is killed: PROCESS_PID= MONITOR_PID= @@ -668,7 +668,7 @@ fi sleep 1 - MSG="nightly.sh: monitor: killed: exceeded $TIMEOUT seconds" + MSG="suite.sh: monitor: killed: exceeded $TIMEOUT seconds" echo "$MSG" >> $OUTPUT return 1 From wozniak at ci.uchicago.edu Mon Apr 4 13:27:05 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 4 Apr 2011 13:27:05 -0500 (CDT) Subject: [Swift-commit] r4264 - trunk/tests Message-ID: <20110404182705.694CD9CCA0@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-04 13:27:05 -0500 (Mon, 04 Apr 2011) New Revision: 4264 Modified: trunk/tests/suite.sh Log: Note on primary use case Modified: trunk/tests/suite.sh =================================================================== --- trunk/tests/suite.sh 2011-04-04 18:00:30 UTC (rev 4263) +++ trunk/tests/suite.sh 2011-04-04 18:27:05 UTC (rev 4264) @@ -8,6 +8,12 @@ # Usage: suite.sh * +# PRIMARY USAGE MODE +# Assuming your code is in /tmp/cog, where you +# have the conventional cog/modules/swift configuration, +# and you have done an ant dist, you can run +# suite.sh -a -c -g -p -s -o /tmp tests/groups/group-all-local.sh + # Run suite.sh -h for quick help # When something goes wrong, find and check tests.log or use -v # Code is checked out into TOPDIR (PWD by default) (PATH is not used) From wozniak at ci.uchicago.edu Mon Apr 4 14:49:00 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 4 Apr 2011 14:49:00 -0500 (CDT) Subject: [Swift-commit] r4265 - trunk/tests Message-ID: <20110404194900.466DA9CCA0@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-04 14:49:00 -0500 (Mon, 04 Apr 2011) New Revision: 4265 Modified: trunk/tests/suite.sh Log: More error checking and diagnostic output Modified: trunk/tests/suite.sh =================================================================== --- trunk/tests/suite.sh 2011-04-04 18:27:05 UTC (rev 4264) +++ trunk/tests/suite.sh 2011-04-04 19:49:00 UTC (rev 4265) @@ -13,10 +13,12 @@ # have the conventional cog/modules/swift configuration, # and you have done an ant dist, you can run # suite.sh -a -c -g -p -s -o /tmp tests/groups/group-all-local.sh +# or cd into /tmp and run +# suite.sh -a -c -g -p -s cog/modules/swift/tests/groups/group-all-local.sh # Run suite.sh -h for quick help # When something goes wrong, find and check tests.log or use -v -# Code is checked out into TOPDIR (PWD by default) (PATH is not used) +# Code is checked out into TOPDIR (PWD by default) (PATH is overridden) # The variables COG_VERSION and SWIFT_VERSION must be set for code checkout # e.g. COG_VERSION=branches/4.1.8, SWIFT_VERSION=branches/release-0.92 # Swift is compiled and installed in its source tree @@ -991,8 +993,10 @@ source $GROUPLISTFILE || exit 1 cd $TOPDIR +[ $? != 0 ] && crash "Could not use given TOPDIR: $TOPDIR" + mkdir -p $RUNDIR -[ $? != 0 ] && echo "Could not mkdir: $RUNDIR" && exit 1 +[ $? != 0 ] && crash "Could not mkdir: $RUNDIR" date > $LOG @@ -1025,6 +1029,15 @@ TESTNAME="Compile" start_row +# Exit early if the Swift directory is not there +if [[ ! -d $TOPDIR/cog/modules/swift ]] +then + echo "Could not find swift source directory" + echo "TOPDIR: $TOPDIR" + echo "Looked for $TOPDIR/cog/modules/swift" + crash +fi + test_exec cd $TOPDIR/cog/modules/swift if (( $CLEAN )); then test_exec rm -rf dist From wozniak at ci.uchicago.edu Mon Apr 4 15:15:19 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 4 Apr 2011 15:15:19 -0500 (CDT) Subject: [Swift-commit] r4267 - trunk/tests Message-ID: <20110404201519.D59E59CCA0@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-04 15:15:19 -0500 (Mon, 04 Apr 2011) New Revision: 4267 Modified: trunk/tests/suite.sh Log: Add newline Modified: trunk/tests/suite.sh =================================================================== --- trunk/tests/suite.sh 2011-04-04 20:03:27 UTC (rev 4266) +++ trunk/tests/suite.sh 2011-04-04 20:15:19 UTC (rev 4267) @@ -593,7 +593,7 @@ # Execute process in the background process_exec() { - printf "\nExecuting: $@" >>$LOG + printf "\nExecuting: $@\n" >>$LOG rm -f $OUTPUT "$@" > $OUTPUT 2>&1 From wozniak at ci.uchicago.edu Mon Apr 4 15:25:42 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 4 Apr 2011 15:25:42 -0500 (CDT) Subject: [Swift-commit] r4268 - trunk/tests/language-behaviour Message-ID: <20110404202542.EDE8A9CCA0@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-04 15:25:42 -0500 (Mon, 04 Apr 2011) New Revision: 4268 Added: trunk/tests/language-behaviour/106-import.setup.sh Modified: trunk/tests/language-behaviour/106-import.swift trunk/tests/language-behaviour/testimport.swift trunk/tests/language-behaviour/testimport2.swift Log: Fix up import test Added: trunk/tests/language-behaviour/106-import.setup.sh =================================================================== --- trunk/tests/language-behaviour/106-import.setup.sh (rev 0) +++ trunk/tests/language-behaviour/106-import.setup.sh 2011-04-04 20:25:42 UTC (rev 4268) @@ -0,0 +1,6 @@ +#!/bin/bash + +cp -v ${GROUP}/testimport.swift . || exit 1 +cp -v ${GROUP}/testimport2.swift . || exit 1 + +exit 0 Property changes on: trunk/tests/language-behaviour/106-import.setup.sh ___________________________________________________________________ Name: svn:executable + * Modified: trunk/tests/language-behaviour/106-import.swift =================================================================== --- trunk/tests/language-behaviour/106-import.swift 2011-04-04 20:15:19 UTC (rev 4267) +++ trunk/tests/language-behaviour/106-import.swift 2011-04-04 20:25:42 UTC (rev 4268) @@ -1,6 +1,5 @@ -import testimport; +import "testimport"; file f; int i = 6; - Modified: trunk/tests/language-behaviour/testimport.swift =================================================================== --- trunk/tests/language-behaviour/testimport.swift 2011-04-04 20:15:19 UTC (rev 4267) +++ trunk/tests/language-behaviour/testimport.swift 2011-04-04 20:25:42 UTC (rev 4268) @@ -1,4 +1,4 @@ -import testimport2; +import "testimport2"; type file; Modified: trunk/tests/language-behaviour/testimport2.swift =================================================================== --- trunk/tests/language-behaviour/testimport2.swift 2011-04-04 20:15:19 UTC (rev 4267) +++ trunk/tests/language-behaviour/testimport2.swift 2011-04-04 20:25:42 UTC (rev 4268) @@ -1,4 +1,4 @@ -import testimport; +import "testimport"; type F; From wozniak at ci.uchicago.edu Mon Apr 4 16:15:24 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 4 Apr 2011 16:15:24 -0500 (CDT) Subject: [Swift-commit] r4270 - trunk/src/org/griphyn/vdl/engine Message-ID: <20110404211524.3648C9CC6B@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-04 16:15:24 -0500 (Mon, 04 Apr 2011) New Revision: 4270 Modified: trunk/src/org/griphyn/vdl/engine/FormalArgumentSignature.java trunk/src/org/griphyn/vdl/engine/Karajan.java trunk/src/org/griphyn/vdl/engine/ProcedureSignature.java trunk/src/org/griphyn/vdl/engine/VariableScope.java Log: Warnings fixes in vdl.engine Modified: trunk/src/org/griphyn/vdl/engine/FormalArgumentSignature.java =================================================================== --- trunk/src/org/griphyn/vdl/engine/FormalArgumentSignature.java 2011-04-04 20:30:18 UTC (rev 4269) +++ trunk/src/org/griphyn/vdl/engine/FormalArgumentSignature.java 2011-04-04 21:15:24 UTC (rev 4270) @@ -53,4 +53,4 @@ public String toString() { return type + " " + name; } -} \ No newline at end of file +} Modified: trunk/src/org/griphyn/vdl/engine/Karajan.java =================================================================== --- trunk/src/org/griphyn/vdl/engine/Karajan.java 2011-04-04 20:30:18 UTC (rev 4269) +++ trunk/src/org/griphyn/vdl/engine/Karajan.java 2011-04-04 21:15:24 UTC (rev 4270) @@ -8,7 +8,6 @@ import java.io.PrintStream; import java.util.ArrayList; import java.util.LinkedList; -import java.util.List; import java.util.Collection; import java.util.HashMap; import java.util.HashSet; @@ -45,24 +44,26 @@ import org.griphyn.vdl.karajan.Loader; import org.griphyn.vdl.karajan.CompilationException; import org.griphyn.vdl.toolkit.VDLt2VDLx; -import org.griphyn.vdl.toolkit.VDLt2VDLx.ParsingException; import org.safehaus.uuid.UUIDGenerator; import org.w3c.dom.Node; public class Karajan { public static final Logger logger = Logger.getLogger(Karajan.class); + Map stringInternMap = new HashMap(); + Map intInternMap = new HashMap(); + Map floatInternMap = new HashMap(); + Map proceduresMap = + new HashMap(); + Map functionsMap = + new HashMap(); + Map typesMap = new HashMap(); + public static final String TEMPLATE_FILE_NAME = "Karajan.stg"; - Map stringInternMap = new HashMap(); - Map intInternMap = new HashMap(); - Map floatInternMap = new HashMap(); - Map proceduresMap = new HashMap(); - Map functionsMap = new HashMap(); - Map typesMap = new HashMap(); - LinkedList importList = new LinkedList(); - Set importedNames = new HashSet(); + LinkedList importList = new LinkedList(); + Set importedNames = new HashSet(); int internedIDCounter = 17000; @@ -99,12 +100,7 @@ } Program prog = programDoc.getProgram(); - - try { - me.setTemplateGroup(templates); - } catch(IOException ioe) { - throw new CompilationException("Unable to set source templates",ioe); - } + me.setTemplateGroup(templates); StringTemplate code = me.program(prog); out.println(code.toString()); } @@ -113,7 +109,7 @@ throws XmlException, IOException { XmlOptions options = new XmlOptions(); - Collection errors = new ArrayList(); + Collection errors = new ArrayList(); options.setErrorListener(errors); options.setValidateOnSet(); options.setLoadLineNumbers(); @@ -126,11 +122,8 @@ } else { logger.warn("Validation of XML intermediate file failed."); logger.warn("Validation errors:"); - Iterator i = errors.iterator(); - while(i.hasNext()) { - XmlError error = (XmlError) i.next(); + for (XmlError error : errors) logger.warn(error.toString()); - } System.exit(3); } return programDoc; @@ -143,7 +136,7 @@ functionsMap = ProcedureSignature.makeFunctionSignatures(); } - void setTemplateGroup(StringTemplateGroup tempGroup) throws IOException { + void setTemplateGroup(StringTemplateGroup tempGroup) { m_templates = tempGroup; } @@ -270,28 +263,15 @@ importList.addFirst(prog); processImports(prog); - Iterator it; - - it=importList.iterator(); - while(it.hasNext()) { - processTypes((Program)it.next(), scope); - } - - it=importList.iterator(); - while(it.hasNext()) { - statementsForSymbols((Program)it.next(), scope); - } - - it=importList.iterator(); - while(it.hasNext()) { - processProcedures((Program)it.next(), scope); - } - - it=importList.iterator(); - while(it.hasNext()) { - statements((Program)it.next(), scope); - } - + for (Program program : importList) + processTypes(program, scope); + for (Program program : importList) + statementsForSymbols(program, scope); + for (Program program : importList) + processProcedures(program, scope); + for (Program program : importList) + statements(program, scope); + generateInternedConstants(scope.bodyTemplate); return scope.bodyTemplate; @@ -547,26 +527,31 @@ } - public StringTemplate call(Call call, VariableScope scope, boolean inhibitOutput) throws CompilationException { + public StringTemplate call(Call call, VariableScope scope, boolean inhibitOutput) + throws CompilationException { try { // Check is called procedure declared previously String procName = call.getProc().getLocalPart(); if (proceduresMap.get(procName) == null) - throw new CompilationException("Procedure " + procName + " is not declared."); + throw new CompilationException + ("Procedure " + procName + " is not declared."); // Check procedure arguments int noOfOptInArgs = 0; - Map inArgs = new HashMap(); - Map outArgs = new HashMap(); + Map inArgs = + new HashMap(); + Map outArgs = + new HashMap(); - ProcedureSignature proc = (ProcedureSignature)proceduresMap.get(procName); + ProcedureSignature proc = proceduresMap.get(procName); StringTemplate callST; if(proc.getInvocationMode() == ProcedureSignature.INVOCATION_USERDEFINED) { callST = template("callUserDefined"); } else if(proc.getInvocationMode() == ProcedureSignature.INVOCATION_INTERNAL) { callST = template("callInternal"); } else { - throw new CompilationException("Unknown procedure invocation mode "+proc.getInvocationMode()); + throw new CompilationException + ("Unknown procedure invocation mode "+proc.getInvocationMode()); } callST.setAttribute("func", call.getProc().getLocalPart()); /* Does number of input arguments match */ @@ -574,8 +559,9 @@ if (proc.getInputArray(i).isOptional()) noOfOptInArgs++; inArgs.put(proc.getInputArray(i).getName(), proc.getInputArray(i)); - } + } if (!proc.getAnyNumOfInputArgs() && (call.sizeOfInputArray() < proc.sizeOfInputArray() - noOfOptInArgs || + call.sizeOfInputArray() > proc.sizeOfInputArray())) throw new CompilationException("Wrong number of procedure input arguments: specified " + call.sizeOfInputArray() + " and should be " + proc.sizeOfInputArray()); @@ -613,7 +599,7 @@ if (!inArgs.containsKey(input.getBind())) throw new CompilationException("Formal argument " + input.getBind() + " doesn't exist"); - FormalArgumentSignature formalArg = (FormalArgumentSignature)inArgs.get(input.getBind()); + FormalArgumentSignature formalArg = inArgs.get(input.getBind()); String formalType = formalArg.getType(); String actualType = datatype(argST); if (!formalArg.isAnyType() && !actualType.equals(formalType)) @@ -632,7 +618,7 @@ StringTemplate argST = actualParameter(input, scope); callST.setAttribute("inputs", argST); - FormalArgumentSignature formalArg = ((ProcedureSignature)proceduresMap.get(procName)).getInputArray(i); + FormalArgumentSignature formalArg = proceduresMap.get(procName).getInputArray(i); String formalType = formalArg.getType(); String actualType = datatype(argST); if (!formalArg.isAnyType() && !actualType.equals(formalType)) @@ -648,7 +634,7 @@ String formalName = input.getBind(); if (!inArgs.containsKey(formalName)) throw new CompilationException("Formal argument " + formalName + " doesn't exist"); - FormalArgumentSignature formalArg = (FormalArgumentSignature)inArgs.get(formalName); + FormalArgumentSignature formalArg = inArgs.get(formalName); String formalType = formalArg.getType(); String actualType = datatype(argST); if (!formalArg.isAnyType() && !actualType.equals(formalType)) @@ -683,7 +669,7 @@ if (!outArgs.containsKey(output.getBind())) throw new CompilationException("Formal argument " + output.getBind() + " doesn't exist"); - FormalArgumentSignature formalArg = (FormalArgumentSignature)outArgs.get(output.getBind()); + FormalArgumentSignature formalArg = outArgs.get(output.getBind()); String formalType = formalArg.getType(); String actualType = datatype(argST); if (!formalArg.isAnyType() && !actualType.equals(formalType)) @@ -699,7 +685,7 @@ StringTemplate argST = actualParameter(output, scope); callST.setAttribute("outputs", argST); - FormalArgumentSignature formalArg =((ProcedureSignature)proceduresMap.get(procName)).getOutputArray(i); + FormalArgumentSignature formalArg =proceduresMap.get(procName).getOutputArray(i); String formalType = formalArg.getType(); /* type check positional output args */ @@ -741,11 +727,8 @@ iterateST.setAttribute("cond", condST); Object statementID = new Integer(callID++); - Iterator scopeIterator = innerScope.getVariableIterator(); - while(scopeIterator.hasNext()) { - String v=(String) scopeIterator.next(); + for (String v : innerScope.getVariables()) scope.addWriter(v, statementID, true); - } scope.appendStatement(iterateST); } @@ -778,13 +761,10 @@ String inVar = (String) inST.getAttribute("var"); Object statementID = new Integer(callID++); - Iterator scopeIterator = innerScope.getVariableIterator(); - while(scopeIterator.hasNext()) { - String v=(String) scopeIterator.next(); - scope.addWriter(v, statementID, true); - if (v.equals(inVar) && !innerScope.isVariableLocallyDefined(v)) { - foreachST.setAttribute("selfClose", "true"); - } + for (String v : innerScope.getVariables()) { + scope.addWriter(v, statementID, true); + if (v.equals(inVar) && !innerScope.isVariableLocallyDefined(v)) + foreachST.setAttribute("selfClose", "true"); } scope.appendStatement(foreachST); } catch(CompilationException re) { @@ -812,11 +792,8 @@ Object statementID = new Integer(callID++); - Iterator thenScopeIterator = innerThenScope.getVariableIterator(); - while(thenScopeIterator.hasNext()) { - String v=(String) thenScopeIterator.next(); + for (String v : innerThenScope.getVariables()) scope.addWriter(v, statementID, true); - } if (elsestat != null) { @@ -827,11 +804,8 @@ statementsForSymbols(elsestat, innerElseScope); statements(elsestat, innerElseScope); - Iterator elseScopeIterator = innerElseScope.getVariableIterator(); - while(elseScopeIterator.hasNext()) { - String v=(String) elseScopeIterator.next(); + for (String v : innerElseScope.getVariables()) scope.addWriter(v, statementID, true); - } } scope.appendStatement(ifST); } @@ -855,12 +829,8 @@ caseStat(casestat, caseScope); - Iterator caseScopeIterator = caseScope.getVariableIterator(); - while(caseScopeIterator.hasNext()) { - String v=(String) caseScopeIterator.next(); + for (String v : caseScope.getVariables()) scope.addWriter(v, statementID, true); - } - } Default defaultstat = switchstat.getDefault(); if (defaultstat != null) { @@ -869,11 +839,8 @@ switchST.setAttribute("sdefault", defaultScope.bodyTemplate); statementsForSymbols(defaultstat, defaultScope); statements(defaultstat, defaultScope); - Iterator defaultScopeIterator = defaultScope.getVariableIterator(); - while(defaultScopeIterator.hasNext()) { - String v=(String) defaultScopeIterator.next(); + for (String v : defaultScope.getVariables()) scope.addWriter(v, statementID, true); - } } } @@ -942,7 +909,7 @@ public StringTemplate function(Function func, VariableScope scope) throws CompilationException { StringTemplate funcST = template("function"); funcST.setAttribute("name", func.getName()); - ProcedureSignature funcSignature = (ProcedureSignature) functionsMap.get(func.getName()); + ProcedureSignature funcSignature = functionsMap.get(func.getName()); if(funcSignature == null) { throw new CompilationException("Unknown function: @"+func.getName()); } @@ -1047,7 +1014,7 @@ internedID = "swift#int#" + i; intInternMap.put(iobj, internedID); } else { - internedID = (String)intInternMap.get(iobj); + internedID = intInternMap.get(iobj); } StringTemplate st = template("id"); st.setAttribute("var", internedID); @@ -1062,7 +1029,7 @@ internedID = "swift#float#" + (internedIDCounter++); floatInternMap.put(fobj, internedID); } else { - internedID = (String)floatInternMap.get(fobj); + internedID = floatInternMap.get(fobj); } StringTemplate st = template("id"); st.setAttribute("var",internedID); @@ -1076,7 +1043,7 @@ internedID = "swift#string#" + (internedIDCounter++); stringInternMap.put(s,internedID); } else { - internedID = (String)stringInternMap.get(s); + internedID = stringInternMap.get(s); } StringTemplate st = template("id"); st.setAttribute("var",internedID); @@ -1175,7 +1142,7 @@ // if the parent is an array, then check against // the base type of the array -boolean arrayMode = false; + boolean arrayMode = false; if(parentType.endsWith("[]")) { arrayMode=true; parentType = parentType.substring(0, parentType.length() - 2); @@ -1184,7 +1151,7 @@ String actualType = null; // TODO this should be a map lookup of some kind? - Type t = (Type)typesMap.get(parentType); + Type t = typesMap.get(parentType); TypeStructure ts = t.getTypestructure(); int j = 0; @@ -1264,7 +1231,7 @@ StringTemplate st = function(f, scope); /* Set function output type */ String name = f.getName(); - ProcedureSignature funcSignature = (ProcedureSignature) functionsMap.get(name); + ProcedureSignature funcSignature = functionsMap.get(name); if (funcSignature != null) { /* Functions have only one output parameter */ st.setAttribute("datatype", funcSignature.getOutputArray(0).getType()); @@ -1279,7 +1246,7 @@ ref.setVariableReference("swift#callintermediate"); c.getOutputArray(0).set(ref); String name = c.getProc().getLocalPart(); - ProcedureSignature funcSignature = (ProcedureSignature) proceduresMap.get(name); + ProcedureSignature funcSignature = proceduresMap.get(name); if (funcSignature == null) { throw new CompilationException("Procedure " + name + " is not defined."); @@ -1383,23 +1350,18 @@ public void generateInternedConstants(StringTemplate programTemplate) { - Iterator i; - i = stringInternMap.keySet().iterator(); - while(i.hasNext()) { - String str = (String)i.next(); - String variableName = (String)stringInternMap.get(str); + for (String key : stringInternMap.keySet()) { + String variableName = stringInternMap.get(key); StringTemplate st = template("sConst"); - st.setAttribute("innervalue",escapeQuotes(str)); + st.setAttribute("innervalue",escapeQuotes(key)); StringTemplate vt = template("globalConstant"); vt.setAttribute("name",variableName); vt.setAttribute("expr",st); programTemplate.setAttribute("constants",vt); } - - i = intInternMap.keySet().iterator(); - while(i.hasNext()) { - Integer key = (Integer)i.next(); - String variableName = (String)intInternMap.get(key); + + for (Integer key : intInternMap.keySet()) { + String variableName = intInternMap.get(key); StringTemplate st = template("iConst"); st.setAttribute("value",key); StringTemplate vt = template("globalConstant"); @@ -1408,10 +1370,8 @@ programTemplate.setAttribute("constants",vt); } - i = floatInternMap.keySet().iterator(); - while(i.hasNext()) { - Float key = (Float)i.next(); - String variableName = (String)floatInternMap.get(key); + for (Float key : floatInternMap.keySet()) { + String variableName = floatInternMap.get(key); StringTemplate st = template("fConst"); st.setAttribute("value",key); StringTemplate vt = template("globalConstant"); @@ -1419,8 +1379,6 @@ vt.setAttribute("expr",st); programTemplate.setAttribute("constants",vt); } - - } String escapeQuotes(String in) { Modified: trunk/src/org/griphyn/vdl/engine/ProcedureSignature.java =================================================================== --- trunk/src/org/griphyn/vdl/engine/ProcedureSignature.java 2011-04-04 20:30:18 UTC (rev 4269) +++ trunk/src/org/griphyn/vdl/engine/ProcedureSignature.java 2011-04-04 21:15:24 UTC (rev 4270) @@ -2,6 +2,8 @@ import java.util.ArrayList; import java.util.HashMap; +import java.util.List; +import java.util.Map; import org.globus.swift.language.FormalParameter; @@ -9,8 +11,8 @@ public class ProcedureSignature { private String name; - private ArrayList inputArgs; - private ArrayList outputArgs; + private List inputArgs; + private List outputArgs; private boolean anyNumOfInputArgs; private boolean anyNumOfOutputArgs; /* this is maybe unnecessary*/ private int invocationMode; @@ -23,8 +25,8 @@ public ProcedureSignature(String name) { this.name = name; - inputArgs = new ArrayList(); - outputArgs = new ArrayList(); + inputArgs = new ArrayList(); + outputArgs = new ArrayList(); anyNumOfInputArgs = false; anyNumOfOutputArgs = false; invocationMode = INVOCATION_USERDEFINED; @@ -70,27 +72,26 @@ new FormalArgumentSignature[0]; public FormalArgumentSignature[] getInputArray() { - return (FormalArgumentSignature[]) - inputArgs.toArray(FORMAL_ARGUMENT_SIGNATURE_ARRAY); + return inputArgs.toArray(FORMAL_ARGUMENT_SIGNATURE_ARRAY); } public FormalArgumentSignature[] getOutputArray() { - return (FormalArgumentSignature[]) - outputArgs.toArray(FORMAL_ARGUMENT_SIGNATURE_ARRAY); + return outputArgs.toArray(FORMAL_ARGUMENT_SIGNATURE_ARRAY); } public FormalArgumentSignature getInputArray(int i) { - return (FormalArgumentSignature) inputArgs.get(i); + return inputArgs.get(i); } public FormalArgumentSignature getOutputArray(int i) { - return (FormalArgumentSignature) outputArgs.get(i); + return outputArgs.get(i); } public void setInputArgs(FormalParameter[] fp) { for (int i = 0; i < fp.length; i++) { - FormalArgumentSignature fas = new FormalArgumentSignature(fp[i].getType().getLocalPart(), - fp[i].getName()); + FormalArgumentSignature fas = + new FormalArgumentSignature(fp[i].getType().getLocalPart(), + fp[i].getName()); fas.setOptional(!fp[i].isNil()); this.addInputArg(fas); } @@ -114,8 +115,10 @@ return this.invocationMode; } - public static HashMap makeProcedureSignatures() { - HashMap proceduresMap = new HashMap(); + public static Map + makeProcedureSignatures() { + Map proceduresMap = + new HashMap(); ProcedureSignature readData = new ProcedureSignature("readData"); FormalArgumentSignature rdInputArg = new FormalArgumentSignature(true); @@ -164,8 +167,10 @@ return proceduresMap; } - public static HashMap makeFunctionSignatures () { - HashMap functionsMap = new HashMap(); + public static Map + makeFunctionSignatures() { + Map functionsMap = + new HashMap(); ProcedureSignature arg = new ProcedureSignature("arg"); FormalArgumentSignature argIn1 = new FormalArgumentSignature("string"); Modified: trunk/src/org/griphyn/vdl/engine/VariableScope.java =================================================================== --- trunk/src/org/griphyn/vdl/engine/VariableScope.java 2011-04-04 20:30:18 UTC (rev 4269) +++ trunk/src/org/griphyn/vdl/engine/VariableScope.java 2011-04-04 21:15:24 UTC (rev 4270) @@ -80,13 +80,13 @@ /** Set of variables (String token names) that are declared in this scope - not variables in parent scopes, though. */ - Set variables = new HashSet(); - Map varTypes = new HashMap(); + Set variables = new HashSet(); + Map varTypes = new HashMap(); /** Set of variables (String token names) which are global and declared in this scope (which must be a root scope). Variables in this set must also appear in the variables set. */ - Set globals = new HashSet(); + Set globals = new HashSet(); /** Asserts that a named variable is declared in this scope. Might also eventually contain more information about the @@ -189,9 +189,9 @@ /** List of templates to be executed in sequence after the present in-preparation statement is outputted. */ - List presentStatementPostStatements = Collections.synchronizedList(new ArrayList()); + List presentStatementPostStatements = Collections.synchronizedList(new ArrayList()); - Map variableUsage = Collections.synchronizedMap(new HashMap()); + Map variableUsage = Collections.synchronizedMap(new HashMap()); /** indicates that the present in-preparation statement writes to the named variable. If the variable is declared in the local scope, @@ -224,18 +224,18 @@ // variable or we find an upwards assignment prohibition or we run // out of scopes -// TODO so far this should find undelcared variables at compile time +// TODO so far this should find undeclared variables at compile time // so perhaps worth making this into a separate patch if it actually // works if(isVariableWriteable(variableName, partialWriter)) { - Variable variable = (Variable) variableUsage.get(variableName); + Variable variable = variableUsage.get(variableName); if(variable == null) { variable = new Variable(); variableUsage.put(variableName, variable); } - List statementList = variable.writingStatements; + List statementList = variable.writingStatements; if(!statementList.contains(closeID)) { statementList.add(closeID); } @@ -264,24 +264,25 @@ logger.debug("thats the declaration for "+name); return declST; } - } else { // assume its a List - Iterator it = ((List) decls).iterator(); - while(it.hasNext()) { - StringTemplate declST = (StringTemplate) it.next(); - logger.debug("looking at declaration "+declST); -try { - if(declST.getAttribute("name").equals(name)) { - logger.debug("thats the declaration for "+name); - return declST; - } -} catch(java.util.NoSuchElementException nse) { - logger.debug("it so definitely wasn't in that one, we got an exception."); -// TODO this is not a nice use of exceptions... - -} - } + } else { // assume its a List of StringTemplate + @SuppressWarnings("unchecked") + List list = (List) decls; + for (StringTemplate declST : list) { + logger.debug("looking at declaration "+declST); + try { + if(declST.getAttribute("name").equals(name)) { + logger.debug("thats the declaration for "+name); + return declST; + } + } catch(java.util.NoSuchElementException nse) { + logger.debug + ("it so definitely wasn't in that one, we got an exception."); + // TODO this is not a nice use of exceptions... + } + } } -logger.info("UH OH - couldn't find local definition for "+name); + + logger.info("UH OH - couldn't find local definition for "+name); return null; } @@ -293,23 +294,27 @@ StringTemplate wrapperST = compiler.template("sequential"); bodyTemplate.setAttribute("statements", wrapperST); wrapperST.setAttribute("statements",statementST); - Iterator it = presentStatementPostStatements.iterator(); + Iterator it = presentStatementPostStatements.iterator(); while(it.hasNext()) { wrapperST.setAttribute("statements", it.next()); } - presentStatementPostStatements = Collections.synchronizedList(new ArrayList()); + presentStatementPostStatements = Collections.synchronizedList(new ArrayList()); } /** Stores information about a variable that is referred to in this scope. Should probably get used for dataset marking eventually. */ class Variable { - List writingStatements = Collections.synchronizedList(new ArrayList()); + List writingStatements = Collections.synchronizedList(new ArrayList()); } - Iterator getVariableIterator() { + Iterator getVariableIterator() { return variableUsage.keySet().iterator(); } + Set getVariables() { + return variableUsage.keySet(); + } + public VariableScope getRootScope() { return rootScope; } From jonmon at ci.uchicago.edu Tue Apr 5 19:29:54 2011 From: jonmon at ci.uchicago.edu (jonmon at ci.uchicago.edu) Date: Tue, 5 Apr 2011 19:29:54 -0500 (CDT) Subject: [Swift-commit] r4284 - SwiftApps/Montage/exec Message-ID: <20110406002954.938D19CC94@svn.ci.uchicago.edu> Author: jonmon Date: 2011-04-05 19:29:54 -0500 (Tue, 05 Apr 2011) New Revision: 4284 Modified: SwiftApps/Montage/exec/montage.sh Log: o SwiftApps/Montage/exec/montage.sh -- Added check to pick the correct internalhostname variable depending if I am on the login1 or login2 node on PADS Modified: SwiftApps/Montage/exec/montage.sh =================================================================== --- SwiftApps/Montage/exec/montage.sh 2011-04-05 19:11:18 UTC (rev 4283) +++ SwiftApps/Montage/exec/montage.sh 2011-04-06 00:29:54 UTC (rev 4284) @@ -14,6 +14,12 @@ mkdir ${WORK_DIRECTORY} +if [ $HOSTNAME == "login2.pads.ci.uchicago.edu" ]; then + echo "#site internalhostname=192.5.86.6" >> sites.properties +elif [ $HOSTNAME == "login1.pads.ci.uchicago.edu" ]; then + echo "#site internalhostname=192.5.86.5" >> sites.properties +fi + echo "#site work=/gpfs/pads/jonmon/Swift/work/pads" >> sites.properties echo "#site slots=$1" >> sites.properties From jonmon at ci.uchicago.edu Tue Apr 5 19:33:07 2011 From: jonmon at ci.uchicago.edu (jonmon at ci.uchicago.edu) Date: Tue, 5 Apr 2011 19:33:07 -0500 (CDT) Subject: [Swift-commit] r4285 - SwiftApps/Montage/templates Message-ID: <20110406003307.A9E169CC94@svn.ci.uchicago.edu> Author: jonmon Date: 2011-04-05 19:33:07 -0500 (Tue, 05 Apr 2011) New Revision: 4285 Modified: SwiftApps/Montage/templates/pads-coasters.xml Log: o SwiftApps/Montage/templates/pads-coasters.xml -- Added _INTERNALHOSTNAME_ variable for gensites instead of specifying one explicitly Modified: SwiftApps/Montage/templates/pads-coasters.xml =================================================================== --- SwiftApps/Montage/templates/pads-coasters.xml 2011-04-06 00:29:54 UTC (rev 4284) +++ SwiftApps/Montage/templates/pads-coasters.xml 2011-04-06 00:33:07 UTC (rev 4285) @@ -2,7 +2,7 @@ 3600 - 192.5.86.6 + _INTERNALHOSTNAME_ 1 _SLOTS_ 1 From jonmon at ci.uchicago.edu Tue Apr 5 19:39:52 2011 From: jonmon at ci.uchicago.edu (jonmon at ci.uchicago.edu) Date: Tue, 5 Apr 2011 19:39:52 -0500 (CDT) Subject: [Swift-commit] r4286 - SwiftApps/Montage/exec Message-ID: <20110406003952.039519CC94@svn.ci.uchicago.edu> Author: jonmon Date: 2011-04-05 19:39:51 -0500 (Tue, 05 Apr 2011) New Revision: 4286 Removed: SwiftApps/Montage/exec/sites.properties Modified: SwiftApps/Montage/exec/montage.sh Log: o SwiftApps/Montage/exec/montage.sh -- Added changes so that the properties will only be applied to the pads-coasters.xml template. This is the only template that has been tested so far. o SwiftApps/Montage/exec/sites.properties -- Delted file. No longer need it. Modified: SwiftApps/Montage/exec/montage.sh =================================================================== --- SwiftApps/Montage/exec/montage.sh 2011-04-06 00:33:07 UTC (rev 4285) +++ SwiftApps/Montage/exec/montage.sh 2011-04-06 00:39:51 UTC (rev 4286) @@ -15,13 +15,13 @@ mkdir ${WORK_DIRECTORY} if [ $HOSTNAME == "login2.pads.ci.uchicago.edu" ]; then - echo "#site internalhostname=192.5.86.6" >> sites.properties + echo "#site pads-coasters.xml internalhostname=192.5.86.6" >> sites.properties elif [ $HOSTNAME == "login1.pads.ci.uchicago.edu" ]; then - echo "#site internalhostname=192.5.86.5" >> sites.properties + echo "#site pads-coasters.xml internalhostname=192.5.86.5" >> sites.properties fi -echo "#site work=/gpfs/pads/jonmon/Swift/work/pads" >> sites.properties -echo "#site slots=$1" >> sites.properties +echo "#site pads-coasters.xml work=/gpfs/pads/jonmon/Swift/work/pads" >> sites.properties +echo "#site pads-coasters.xml slots=$1" >> sites.properties gensites -L ${SWIFT_MONTAGE}/templates -p sites.properties pads-coasters.xml > sites.xml Deleted: SwiftApps/Montage/exec/sites.properties =================================================================== --- SwiftApps/Montage/exec/sites.properties 2011-04-06 00:33:07 UTC (rev 4285) +++ SwiftApps/Montage/exec/sites.properties 2011-04-06 00:39:51 UTC (rev 4286) @@ -1,2 +0,0 @@ -#site work=/gpfs/pads/swift/jonmon/Swift/work/pads -#site slots=100 From wozniak at ci.uchicago.edu Wed Apr 6 14:49:02 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Wed, 6 Apr 2011 14:49:02 -0500 (CDT) Subject: [Swift-commit] r4291 - trunk/tests Message-ID: <20110406194902.C81FD9CCA0@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-06 14:49:02 -0500 (Wed, 06 Apr 2011) New Revision: 4291 Modified: trunk/tests/suite.sh Log: Clean up end of tests Modified: trunk/tests/suite.sh =================================================================== --- trunk/tests/suite.sh 2011-04-06 16:59:47 UTC (rev 4290) +++ trunk/tests/suite.sh 2011-04-06 19:49:02 UTC (rev 4291) @@ -278,6 +278,11 @@ html "

    $TEXT

    " } +html_b() { + TEXT=$1 + html "$TEXT" +} + html_a_name() { NAME=$1 html "" @@ -370,67 +375,16 @@ } html_comment() { - COMMENT=$1 + COMMENT="$1" (( HTML_COMMENTS == 1 )) && html "" } footer() { - html "" - html_comment "End of tests" - - MONTHS=("" "Jan" "Feb" "Mar" "Apr" "May" "Jun" \ - "Jul" "Aug" "Sep" "Oct" "Nov" "Dec") - - if [ "$BINPACKAGE" != "" ]; then - FBP=$RUNDIR/$BINPACKAGE - SIZE=`ls -hs $FBP` - SIZE=${SIZE/$FBP} - cat <>$HTML -

    Binary packages

    -     - $BINPACKAGE ($SIZE)
    -DOH - fi - - LASTYR="00" - LASTMO="00" - html "

    Older tests

    " - html '' - html "" - for OLDER in `ls $OUTDIR/tests-*.html|sort`; do - O=`basename $OLDER` - YR=${O:6:2} - MO=${O:8:2} - DY=${O:10:2} - if echo "$DY$MO$YR"|egrep -v "[0-9]{6}"; then - YR=${O#tests-} - YR=${YR%.html} - MO=0 - DY=$YR - else - YR="20$YR" - fi - if [ $LASTYR != $YR ]; then - html "
    " - html "

    $YR

    " - LASTYR=$YR - fi - if [ $LASTMO != $MO ]; then - html "" - html "

    ${MONTHS[$MO]}

    " - html "" - LASTMO=$MO - fi - SUCCESS=`grep 'class="success"' $OLDER|wc -l` - FAILURE=`grep 'class="failure"' $OLDER|wc -l` - if [ "$SUCCESS$FAILURE" == "00" ]; then - COLOR="#e0e0e0" - else - COLOR=`perl -e "printf \"#%02x%02x%02x\", $FAILURE/($SUCCESS+$FAILURE)*220+35, $SUCCESS/($SUCCESS+$FAILURE)*220+35, 40;"` - fi - html "" - done - html "
    $DY


    " + html_~tr + html_~table + html_~tr + html_~table + html_b "End of tests." html_~body html_~html } @@ -666,12 +620,12 @@ if ps | grep $PID then - verbose "monitor: killing test process $PID" + echo "monitor: killing test process $PID" touch killed_test - /bin/kill -INT $PID + kill $PID KILLCODE=$? if [ $KILLCODE == 0 ]; then - verbose "monitor: killed process_exec (INT)" + echo "monitor: killed test process" fi fi @@ -1078,6 +1032,7 @@ done if [ $GRID_TESTS == "0" ]; then + footer exit 0 fi From wozniak at ci.uchicago.edu Wed Apr 6 15:40:00 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Wed, 6 Apr 2011 15:40:00 -0500 (CDT) Subject: [Swift-commit] r4293 - trunk/libexec/log-processing Message-ID: <20110406204000.ADA1C9CCA0@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-06 15:40:00 -0500 (Wed, 06 Apr 2011) New Revision: 4293 Added: trunk/libexec/log-processing/accumulate-load.pl Log: Script to build up a load level Added: trunk/libexec/log-processing/accumulate-load.pl =================================================================== --- trunk/libexec/log-processing/accumulate-load.pl (rev 0) +++ trunk/libexec/log-processing/accumulate-load.pl 2011-04-06 20:40:00 UTC (rev 4293) @@ -0,0 +1,23 @@ +#!/usr/bin/perl + +# Accumulate the load level at each point in time +# INPUT: lines formatted as "timestamp text" +# where timestamp is a number +# OUTPUT: lines formatted as "timestamp load" +# where timestamp and load are numbers + +$time = 0.0; +$load = 0; + +foreach $n () { + $n =~ /^([^ ]*) (.*)$/ ; + $time = $1; + $info = $2; + if ($info =~ /START/) { + $load++; + } + elsif ($info =~ /END/) { + $load--; + } + printf("%.4f %i\n", $time, $load); +} Property changes on: trunk/libexec/log-processing/accumulate-load.pl ___________________________________________________________________ Name: svn:executable + * From wozniak at ci.uchicago.edu Wed Apr 6 15:40:58 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Wed, 6 Apr 2011 15:40:58 -0500 (CDT) Subject: [Swift-commit] r4294 - trunk/libexec/log-processing Message-ID: <20110406204058.CCFDB9CCA0@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-06 15:40:58 -0500 (Wed, 06 Apr 2011) New Revision: 4294 Added: trunk/libexec/log-processing/load.cfg Log: Plot configuration file compatible with usertools/plotter Added: trunk/libexec/log-processing/load.cfg =================================================================== --- trunk/libexec/log-processing/load.cfg (rev 0) +++ trunk/libexec/log-processing/load.cfg 2011-04-06 20:40:58 UTC (rev 4294) @@ -0,0 +1,6 @@ + +xlabel = time +ylabel = load + +shape.load.data = none +label.load.data = load From wozniak at ci.uchicago.edu Wed Apr 6 15:41:46 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Wed, 6 Apr 2011 15:41:46 -0500 (CDT) Subject: [Swift-commit] r4295 - trunk/libexec/log-processing Message-ID: <20110406204146.5F6309CCA0@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-06 15:41:46 -0500 (Wed, 06 Apr 2011) New Revision: 4295 Modified: trunk/libexec/log-processing/README.txt Log: Notes on how to make a basic load plot Modified: trunk/libexec/log-processing/README.txt =================================================================== --- trunk/libexec/log-processing/README.txt 2011-04-06 20:40:58 UTC (rev 4294) +++ trunk/libexec/log-processing/README.txt 2011-04-06 20:41:46 UTC (rev 4295) @@ -1,8 +1,23 @@ -To properly generate log plots, you must: +To properly generate log plots, you must enable VDL/Karajan logging. -1) Enable VDL/Karajan logging. - Make sure log4.properties contains: +-------------------------------------- +log4j.logger.swift=DEBUG +-------------------------------------- -log4j.logger.swift=DEBUG +To make a basic load plot: + +* Generate the LOG (may set log4j.logger.swift=INFO for this one) + (assuming the log is titled swift-run.log) +* Make the execute transitions file: + make LOG=swift-run.log execute.transitions + These transitions are relative to the Unix epoch +* Make the start time file (this contains the earliest timestamp) + make LOG=swift-run.log start-time.tmp +* Normalize the transition times + ./normalise-event-start-time < execute.transitions > execute.norm +* Build up a load data file: + ./accumulate-load.pl < execute.norm > load.data +* Plot with the JFreeChart-based plotter: + lines.zsh load.cfg load.eps load.data From wozniak at ci.uchicago.edu Wed Apr 6 15:50:53 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Wed, 6 Apr 2011 15:50:53 -0500 (CDT) Subject: [Swift-commit] r4296 - trunk/libexec/log-processing Message-ID: <20110406205053.58B9F9CC6B@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-06 15:50:53 -0500 (Wed, 06 Apr 2011) New Revision: 4296 Modified: trunk/libexec/log-processing/README.txt Log: Add some asciidoc syntax Modified: trunk/libexec/log-processing/README.txt =================================================================== --- trunk/libexec/log-processing/README.txt 2011-04-06 20:41:46 UTC (rev 4295) +++ trunk/libexec/log-processing/README.txt 2011-04-06 20:50:53 UTC (rev 4296) @@ -1,4 +1,7 @@ +Log Processing +============== + To properly generate log plots, you must enable VDL/Karajan logging. Make sure log4.properties contains: @@ -8,16 +11,32 @@ To make a basic load plot: -* Generate the LOG (may set log4j.logger.swift=INFO for this one) - (assuming the log is titled swift-run.log) +* Generate the log (may set log4j.logger.swift=INFO for this one) +(assuming the log is titled swift-run.log) + * Make the execute transitions file: - make LOG=swift-run.log execute.transitions - These transitions are relative to the Unix epoch +------------------------------------------ +make LOG=swift-run.log execute.transitions +------------------------------------------ +These transitions are relative to the Unix epoch + * Make the start time file (this contains the earliest timestamp) - make LOG=swift-run.log start-time.tmp +------------------------------------------ +make LOG=swift-run.log start-time.tmp +------------------------------------------ + * Normalize the transition times - ./normalise-event-start-time < execute.transitions > execute.norm +------------------------------------------ +./normalise-event-start-time < execute.transitions > execute.norm +------------------------------------------ + * Build up a load data file: - ./accumulate-load.pl < execute.norm > load.data -* Plot with the JFreeChart-based plotter: - lines.zsh load.cfg load.eps load.data +------------------------------------------ +./accumulate-load.pl < execute.norm > load.data +------------------------------------------ + +* Plot with the JFreeChart-based plotter in usertools/plotter: +------------------------------------------ +lines.zsh load.cfg load.eps load.data +------------------------------------------ + From wozniak at ci.uchicago.edu Thu Apr 7 14:22:27 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Thu, 7 Apr 2011 14:22:27 -0500 (CDT) Subject: [Swift-commit] r4303 - test/asciidoc-manual Message-ID: <20110407192227.DD4949CC6B@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-07 14:22:27 -0500 (Thu, 07 Apr 2011) New Revision: 4303 Modified: test/asciidoc-manual/README.txt test/asciidoc-manual/manual.txt Log: Add in CDM section Modified: test/asciidoc-manual/README.txt =================================================================== --- test/asciidoc-manual/README.txt 2011-04-07 15:11:47 UTC (rev 4302) +++ test/asciidoc-manual/README.txt 2011-04-07 19:22:27 UTC (rev 4303) @@ -10,4 +10,11 @@ asciidoc manual.txt which generates manual.html -Word-wrap at column 70 via emacs ESC-q (fill-paragraph) +Word-wrap at column 70 via emacs ESC-q (fill-paragraph). + +To get word-wrap to work well in bullet and numbered lists, you must +provide a blank line between the items. + +Numbered lists are not working right in some cases after a code +listing block- that's why there are some uses of the [start=*] +attribute. Modified: test/asciidoc-manual/manual.txt =================================================================== --- test/asciidoc-manual/manual.txt 2011-04-07 15:11:47 UTC (rev 4302) +++ test/asciidoc-manual/manual.txt 2011-04-07 19:22:27 UTC (rev 4303) @@ -25,3 +25,276 @@ of input and output files to and from the chosen sites and remote execution of program code. +Collective Data Management +-------------------------- + +Overview +~~~~~~~~ + +The basic idea with Collective Data Management (CDM) is to reconfigure +the way a Swift script accesses data by: + +1. Moving user data using efficient, possibly site-specific +techniques; and + +2. Dynamically renaming user data files so that the the Swift script +works without modifying it. + +The data movement technique is called the CDM "policy". Renaming and policy +selection are handled in an optional file called the CDM file. + +Key usage points +~~~~~~~~~~~~~~~~ + +1. The user specifies a CDM policy in a file, conventionally called + +fs.data+. + +2. +fs.data+ is given to Swift on the command line. + +3. At job launch time, the Swift job launch procedures query the + CDM policy, + + .. altering the file staging phase, and + .. sending +fs.data+ to the compute site. + +4. At job run time, the Swift wrapper script + + .. consults a Perl script to obtain policy, and + .. uses wrapper extensions to modify data movement. + +5. Similarly, stage out can be changed. + +Example command line +^^^^^^^^^^^^^^^^^^^^ +--------------------------------------------------------------------------- +swift -sites.file sites.xml -tc.file tc.data -cdm.file fs.data stream.swift +--------------------------------------------------------------------------- + +CDM policy file format +~~~~~~~~~~~~~~~~~~~~~~ + +Example: + +------------------------------------------------ +# Describe CDM for my job +property GATHER_LIMIT 1 +rule .*input.txt DIRECT /gpfs/homes/wozniak/data +rule .*xfile*.data BROADCAST /dev/shm +rule .* DEFAULT +------------------------------------------------ + +The lines contain: + +1. A directive, either rule or property + .. A rule has: + ... A regular expression + ... A policy token + .. Additional policy-specific arguments + .. A property has + ... A policy property token + ... The token value +2. Comments with +#+ . +3. Blank lines are ignored. + +Notes: + +1. The policy file is used as a lookup database by Swift and Perl methods. + +2. For example, a lookup with the database above given the argument +input.txt would result in the +DIRECT+ policy. + +3. If the lookup does not succeed, the result is +DEFAULT+. + +4. Policies are listed as subclasses of ++org.globus.swift.data.policy.Policy+. + +Policy descriptions +~~~~~~~~~~~~~~~~~~~ + ++DEFAULT+ +^^^^^^^^^ + +* Just use file staging as provided by Swift/CoG. Identical to + behavior if no CDM file is given. + ++BROADCAST+ +^^^^^^^^^^^ +------------------------------------- +rule .*xfile*.data BROADCAST /dev/shm +------------------------------------- + +* The input files matching the pattern will be stored in the given + directory, an LFS location, with links in the job directory. + +* On the BG/P, this will make use of the +f2cn+ tool. + +* On machines not implementing an efficient broadcast, we will just + ensure correctness. For example, on a workstation, the local location + could be in a +/tmp+ RAM FS, and we would just execute a shell function + to get the data there via +dd+. + ++DIRECT+ +^^^^^^^^ +--------------------------------------------- +rule .*input.txt DIRECT /gpfs/scratch/wozniak +--------------------------------------------- + +* Allows for direct I/O to the parallel FS without staging. + +* The input files matching the pattern must already exist in the given + directory, a GFS location. Links will be placed in the job + directory. + +* The output files matching the pattern will be stored in the given + directory, with links in the job directory. + +* Example: In the rule above, the Swift-generated file name + +./data/input.txt+ would be accessed by the user job in + +/gpfs/homes/wozniak/data/input.txt+ . + ++LOCAL+ +^^^^^^^ +---------------------------------------------------------- +rule .*input.txt LOCAL dd /gpfs/homes/wozniak/data obs=64K +---------------------------------------------------------- + +* Allows for client-directed input copy to the compute node. + +* The user may specify +cp+ or +dd+ as the input transfer program. + +* The input files matching the pattern must already exist in the given + directory, a GFS location. Copies will be placed in the job + directory. + +* Argument list: [tool] [GFS directory] [tool arguments]* + ++GATHER+ +^^^^^^^^ +------------------------------------------------------- +property GATHER_LIMIT 500000000 # 500 MB +property GATHER_DIR /dev/shm/gather +property GATHER_TARGET /gpfs/wozniak/data/gather_target +rule .*.output.txt GATHER +------------------------------------------------------- + +* The output files matching the pattern will be present to tasks in + the job directory as usual but noted in a +_swiftwrap+ shell array + +GATHER_OUTPUT+. + +* The +GATHER_OUTPUT+ files will be cached in the +GATHER_DIR+, an LFS + location. + +* The cache will be flushed when a job ends if a +du+ on +GATHER_DIR+ + exceeds +GATHER_LIMIT+. + +* As the cache fills or on stage out, the files will be bundled into + randomly named tarballs in +GATHER_TARGET+, a GFS location. + +* If the compute node is an SMP, +GATHER_DIR+ is a shared resource. It + is protected by the link file +GATHER_DIR/.cdm.lock+ . + +* Unpacking the tarballs in +GATHER_TARGET+ will produce the + user-specified filenames. + +Internal mechanism notes +++++++++++++++++++++++++ + +Summary: + + 1. Files are created by application + 2. Acquire lock + 3. Move files to cache + 4. Check cache size + 5. If limit exceeded, move all cache files to outbox + 6. Release lock + 7. If limit was exceeded, stream outbox as tarball to target + +* +GATHER+ required quite a bit of shell functionality to manage the + lock, etc. This is placed in +cdm_lib.sh+. + +* +vdl_int.k+ needed an additional task submission (+cdm_cleanup.sh+) + to perform the final flush at workflow completion time. This task + also uses +cdm_lib.sh+. + +CDM Internals +~~~~~~~~~~~~~ + +VDL/Karajan processing +^^^^^^^^^^^^^^^^^^^^^^ + +1. CDM functions are available in Karajan via the +cdm+ namespace. + +2. These functions are defined in +org.globus.swift.data.Query+. + +3. If CDM is enabled, VDL skips file staging for files unless the +policy is +DEFAULT+. + + +Swift wrapper CDM routines +^^^^^^^^^^^^^^^^^^^^^^^^^^ + +1. The +cdm.pl+ script is shipped to the compute node if CDM is +enabled. + +2. When linking in inputs, CDM is consulted by ++_swiftwrap:cdm_lookup()+. + +3. The +cdm_action()+ shell function handles CDM methods. + +Test cases +~~~~~~~~~~ + +(See +About.txt+ for more information.) + +1. Simple test cases are in: + ** https://svn.mcs.anl.gov/repos/wozniak/collab/cdm/scripts/cdm-direct and + ** https://svn.mcs.anl.gov/repos/wozniak/collab/cdm/scripts/all-pairs +2. Do a +--------------------------------------------------------------- +mkdir cdm +cd cdm +svn co https://svn.mcs.anl.gov/repos/wozniak/collab/cdm/scripts +--------------------------------------------------------------- +[start=3] +. In +cdm-direct/+, run +----------------------------------- +source ./setup.sh local local local +----------------------------------- +[start=4] +. Run workflow: +--------------------------------------------------------------------------- +swift -sites.file sites.xml -tc.file tc.data -cdm.file fs.data stream.swift +--------------------------------------------------------------------------- +[start=5] +. Note in the log that staging is skipped for +input.txt+: +----------------------------------------------------- +policy: file://localhost/input.txt : DIRECT +FILE_STAGE_IN_START file=input.txt ... +FILE_STAGE_IN_SKIP file=input.txt policy=DIRECT +FILE_STAGE_IN_END file=input.txt ... +----------------------------------------------------- +[start=6] +. In the wrapper output, the input file is handled by CDM functionality: +--------------------------------------------------------- +Progress 2010-01-21 13:50:32.466572727-0600 LINK_INPUTS +CDM_POLICY: DIRECT /homes/wozniak/cdm/scripts/cdm-direct +CDM: jobs/t/cp_sh-tkul4nmj input.txt DIRECT /homes/wozniak/cdm/scripts/cdm-direct +CDM[DIRECT]: Linking jobs/t/cp_sh-tkul4nmj/input.txt to /homes/wozniak/cdm/scripts/cdm-direct/input.txt +Progress 2010-01-21 13:50:32.486016708-0600 EXECUTE +----------------------------------------------------------------------- +[start=7] +. +all-pairs+ is quite similar but uses more policies. + +PTMap case +~~~~~~~~~~ + +1. Start with vanilla PTMap: +----------------------------------------------------------- +cd cdm +mkdir apps +cd apps +https://svn.mcs.anl.gov/repos/wozniak/collab/cdm/apps/ptmap +----------------------------------------------------------- +[start=2] +. Source +setup.sh+. +. Run +start.sh+. From wozniak at ci.uchicago.edu Thu Apr 7 14:23:02 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Thu, 7 Apr 2011 14:23:02 -0500 (CDT) Subject: [Swift-commit] r4304 - test/asciidoc-manual Message-ID: <20110407192302.890BC9CC6B@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-07 14:22:57 -0500 (Thu, 07 Apr 2011) New Revision: 4304 Modified: test/asciidoc-manual/ Log: Ignore HTML output Property changes on: test/asciidoc-manual ___________________________________________________________________ Name: svn:ignore + manual.html From wozniak at ci.uchicago.edu Thu Apr 7 14:27:45 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Thu, 7 Apr 2011 14:27:45 -0500 (CDT) Subject: [Swift-commit] r4305 - test/asciidoc-manual Message-ID: <20110407192745.50D4C9CC6B@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-07 14:27:45 -0500 (Thu, 07 Apr 2011) New Revision: 4305 Modified: test/asciidoc-manual/manual.txt Log: Update date Modified: test/asciidoc-manual/manual.txt =================================================================== --- test/asciidoc-manual/manual.txt 2011-04-07 19:22:57 UTC (rev 4304) +++ test/asciidoc-manual/manual.txt 2011-04-07 19:27:45 UTC (rev 4305) @@ -2,7 +2,7 @@ Swift User Manual ================= Swift team -v0.92, March 2011 +v0.92.1, April 2011 Overview -------- From wilde at ci.uchicago.edu Thu Apr 7 18:45:26 2011 From: wilde at ci.uchicago.edu (wilde at ci.uchicago.edu) Date: Thu, 7 Apr 2011 18:45:26 -0500 (CDT) Subject: [Swift-commit] r4306 - SwiftApps Message-ID: <20110407234526.F29979CC6B@svn.ci.uchicago.edu> Author: wilde Date: 2011-04-07 18:45:26 -0500 (Thu, 07 Apr 2011) New Revision: 4306 Added: SwiftApps/modFTDock/ Removed: SwiftApps/modFTdock/ Log: Correct modFTDock name case. Copied: SwiftApps/modFTDock (from rev 4305, SwiftApps/modFTdock) From wozniak at ci.uchicago.edu Fri Apr 8 09:58:23 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Fri, 8 Apr 2011 09:58:23 -0500 (CDT) Subject: [Swift-commit] r4308 - trunk/libexec/log-processing Message-ID: <20110408145823.9B764FC41@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-08 09:58:23 -0500 (Fri, 08 Apr 2011) New Revision: 4308 Modified: trunk/libexec/log-processing/extract-start-time trunk/libexec/log-processing/normalise-event-start-time Log: Minor cleanups Modified: trunk/libexec/log-processing/extract-start-time =================================================================== --- trunk/libexec/log-processing/extract-start-time 2011-04-08 02:06:25 UTC (rev 4307) +++ trunk/libexec/log-processing/extract-start-time 2011-04-08 14:58:23 UTC (rev 4308) @@ -1,16 +1,14 @@ #!/bin/sh -set -x +/bin/pwd 1>&2 -/bin/pwd 1>&2 - rm -f tmp-extract-starttime2 if [ "X$LOG" != "X" ] ; then head $LOG | iso-to-secs >> tmp-extract-starttime2 fi -for e in *.event ; do +for e in *.event ; do head -n 1 $e >> tmp-extract-starttime2 done @@ -18,4 +16,4 @@ read st rest < tmp-extract-starttime -echo $st +echo $st Modified: trunk/libexec/log-processing/normalise-event-start-time =================================================================== --- trunk/libexec/log-processing/normalise-event-start-time 2011-04-08 02:06:25 UTC (rev 4307) +++ trunk/libexec/log-processing/normalise-event-start-time 2011-04-08 14:58:23 UTC (rev 4308) @@ -1,4 +1,4 @@ #!/bin/bash -normalise-event-start-time-to-any $(cat start-time.tmp); +normalise-event-start-time-to-any $(cat start-time.tmp) From wozniak at ci.uchicago.edu Fri Apr 8 10:25:22 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Fri, 8 Apr 2011 10:25:22 -0500 (CDT) Subject: [Swift-commit] r4309 - trunk/tests/providers/local-pbs Message-ID: <20110408152522.327AFFC41@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-08 10:25:21 -0500 (Fri, 08 Apr 2011) New Revision: 4309 Added: trunk/tests/providers/local-pbs/beagle/ Log: Beagle tests From wozniak at ci.uchicago.edu Fri Apr 8 11:58:06 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Fri, 8 Apr 2011 11:58:06 -0500 (CDT) Subject: [Swift-commit] r4310 - trunk/tests/providers/local-pbs/beagle Message-ID: <20110408165806.3A3D79CC6B@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-08 11:58:06 -0500 (Fri, 08 Apr 2011) New Revision: 4310 Added: trunk/tests/providers/local-pbs/beagle/sites.template.xml trunk/tests/providers/local-pbs/beagle/tc.template.data Log: These settings work on Beagle Added: trunk/tests/providers/local-pbs/beagle/sites.template.xml =================================================================== --- trunk/tests/providers/local-pbs/beagle/sites.template.xml (rev 0) +++ trunk/tests/providers/local-pbs/beagle/sites.template.xml 2011-04-08 16:58:06 UTC (rev 4310) @@ -0,0 +1,14 @@ + + + + + + + + + + + + {wdir} + + Added: trunk/tests/providers/local-pbs/beagle/tc.template.data =================================================================== --- trunk/tests/providers/local-pbs/beagle/tc.template.data (rev 0) +++ trunk/tests/providers/local-pbs/beagle/tc.template.data 2011-04-08 16:58:06 UTC (rev 4310) @@ -0,0 +1 @@ +beagle-pbs echo /bin/echo INSTALLED INTEL32::LINUX From wozniak at ci.uchicago.edu Fri Apr 8 12:35:43 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Fri, 8 Apr 2011 12:35:43 -0500 (CDT) Subject: [Swift-commit] r4311 - trunk/tests/providers/local-pbs-coasters Message-ID: <20110408173543.436A79CC6B@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-08 12:35:43 -0500 (Fri, 08 Apr 2011) New Revision: 4311 Added: trunk/tests/providers/local-pbs-coasters/beagle/ Log: Settings for Coasters on Beagle From wozniak at ci.uchicago.edu Fri Apr 8 12:36:42 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Fri, 8 Apr 2011 12:36:42 -0500 (CDT) Subject: [Swift-commit] r4312 - trunk/tests/providers/local-pbs-coasters/beagle Message-ID: <20110408173642.ADA719CC6B@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-08 12:36:42 -0500 (Fri, 08 Apr 2011) New Revision: 4312 Added: trunk/tests/providers/local-pbs-coasters/beagle/sites.template.xml trunk/tests/providers/local-pbs-coasters/beagle/tc.template.data Log: Settings for Beagle: start with generic local-pbs-coasters Copied: trunk/tests/providers/local-pbs-coasters/beagle/sites.template.xml (from rev 4307, trunk/tests/providers/local-pbs-coasters/sites.template.xml) =================================================================== --- trunk/tests/providers/local-pbs-coasters/beagle/sites.template.xml (rev 0) +++ trunk/tests/providers/local-pbs-coasters/beagle/sites.template.xml 2011-04-08 17:36:42 UTC (rev 4312) @@ -0,0 +1,17 @@ + + + + + 1 + 7200 + 1 + 1 + 1 + 1 + _QUEUE_ + 5.99 + 10000 + _PROJECT_ + _WORK_ + + Copied: trunk/tests/providers/local-pbs-coasters/beagle/tc.template.data (from rev 4307, trunk/tests/providers/local-pbs-coasters/tc.template.data) =================================================================== --- trunk/tests/providers/local-pbs-coasters/beagle/tc.template.data (rev 0) +++ trunk/tests/providers/local-pbs-coasters/beagle/tc.template.data 2011-04-08 17:36:42 UTC (rev 4312) @@ -0,0 +1,8 @@ +local-pbs-coasters echo /bin/echo INSTALLED INTEL32::LINUX null +local-pbs-coasters cat /bin/cat INSTALLED INTEL32::LINUX null +local-pbs-coasters ls /bin/ls INSTALLED INTEL32::LINUX null +local-pbs-coasters grep /bin/grep INSTALLED INTEL32::LINUX null +local-pbs-coasters sort /bin/sort INSTALLED INTEL32::LINUX null +local-pbs-coasters paste /bin/paste INSTALLED INTEL32::LINUX null +local-pbs-coasters wc /usr/bin/wc INSTALLED INTEL32::LINUX null + From wozniak at ci.uchicago.edu Mon Apr 4 12:57:09 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 4 Apr 2011 12:57:09 -0500 (CDT) Subject: [Swift-commit] r4262 - trunk/tests Message-ID: <20110404175709.9E9E49CCA0@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-04 12:57:09 -0500 (Mon, 04 Apr 2011) New Revision: 4262 Added: trunk/tests/suite.sh Removed: trunk/tests/nightly.sh Log: Rename test script Deleted: trunk/tests/nightly.sh =================================================================== --- trunk/tests/nightly.sh 2011-04-04 17:55:14 UTC (rev 4261) +++ trunk/tests/nightly.sh 2011-04-04 17:57:09 UTC (rev 4262) @@ -1,1089 +0,0 @@ -#!/bin/bash - -# USAGE NOTES: - -# The script will (optionally) checkout Swift, run several tests in a -# subdirectory called run-DATE, and generate useful HTML output and -# tests.log - -# Usage: nightly.sh * - -# Run nightly.sh -h for quick help -# When something goes wrong, find and check tests.log or use -v -# Code is checked out into TOPDIR (PWD by default) (PATH is not used) -# The variables COG_VERSION and SWIFT_VERSION must be set for code checkout -# e.g. COG_VERSION=branches/4.1.8, SWIFT_VERSION=branches/release-0.92 -# Swift is compiled and installed in its source tree -# The run is executed in RUNDIR (TOPDIR/RUNDIRBASE) -# The build test is started in TOPDIR -# Everything for a Swift test is written in its RUNDIR -# The temporary output always goes to OUTPUT (TOPDIR/exec.out) - -# Each *.swift test may be accompanied by a -# *.setup.sh, *.check.sh, and/or *.clean.sh script -# and a *.timeout specifier -# The scripts may setup and inspect files in RUNDIR including exec.out, -# which must be accessed in stdout.txt, because the currently running -# tested process writes to exec.out, stdout.txt is a copy. -# The GROUP scripts can read the GROUP variable -# The timeout number in the *.timeout file overrides the default -# timeout - -# Tests are GROUPed into directories -# Each GROUP directory has: -# 1) a list of *.swift tests (plus *.sh scripts) -# 2) optionally a sites.template.xml -# 3) optionally a tc.template.data -# 4) optionally a fs.template.data -# 5) optionally a swift.properties -# 6) optionally a title.txt -# 7) preferably a README.txt -# 7) optionally a *.timeout -# template files are lightly processed by sed before use -# Missing files will be pulled from swift/etc - -# The GROUPLIST is obtained from an external script in the -# groups/ subdirectory by the name of GROUPLISTFILE. -# The GROUPLISTFILE: -# 1) sets the array -# 2) checks any variables needed by make_sites_sed() - -# OUTPUT is the stdout of the current test -# stdout.txt retains stdout from the previous test (for *.clean.sh) -# output_*.txt is the HTML-linked permanent output from a test - -# All timeouts in this script are in seconds - -# PID TREE: -# Background processes are used so that hung Swift jobs can be killed -# These are the background processes (PIDs are tracked) -# Note that PID management has not yet been perfected. Check ps -# in error cases, especially if you kill nightly.sh . -# -# nightly.sh -# +-monitor() -# +-sleep -# +-process_exec() -# +-bin/swift -# +-java - -# FAILURE CASES -# Some cases are designed to cause Swift to crash. These -# SwiftScripts contain the token THIS-SCRIPT-SHOULD-FAIL somewhere. -# The response of nightly.sh to the exit code of these Swift -# executions is reversed. - -# SCHEDULERS -# Environment must contain PROJECT, QUEUE, and WORK -# These variables will be incorporated into the sites.xml -# via make_sites_sed() -> group_sites_xml() -# Note that some schedulers restrict your choice of RUNDIR - -# NAMING -# Site-specific test groups are in providers/ . -# These are named: -# providers// -# or: -# providers// -# E.g., providers/local-pbs/PADS - -# WARNINGS -# nightly.sh uses shopt - -shopt -s nullglob - -printhelp() { - echo "nightly.sh " - echo "" - echo "usage:" - printf "\t -a Do not run ant dist \n" - printf "\t -c Do not remove dist (clean) \n" - printf "\t -g Do not run grid tests \n" - printf "\t -h This message \n" - printf "\t -k Skip first N tests \n" - printf "\t -n Run N tests and quit \n" - printf "\t -p Do not build the package \n" - printf "\t -s Do not do a fresh svn checkout \n" - printf "\t -x Do not continue after a failure \n" - printf "\t -v Verbose (set -x, HTML comments) \n" - printf "\t -o output Location for output (TOPDIR) \n" - printf "\t GROUPLIST definition file \n" -} - -# Defaults: -DEFAULT_TIMEOUT=30 # seconds -RUN_ANT=1 -CLEAN=1 -SKIP_TESTS=0 -NUMBER_OF_TESTS=1000000 # Run all tests by default -BUILD_PACKAGE=1 -GRID_TESTS=1 -SKIP_CHECKOUT=0 -ALWAYS_EXITONFAILURE=0 -VERBOSE=0 -# The directory in which to start: -TOPDIR=$PWD - -while [ $# -gt 0 ]; do - case $1 in - -a) - RUN_ANT=0 - shift;; - -c) - CLEAN=0 - shift;; - -g) - GRID_TESTS=0 - shift;; - -h) - printhelp - exit 0;; - -k) - SKIP_TESTS=$2 - shift 2;; - -n) - NUMBER_OF_TESTS=$2 - shift 2;; - -o) - TOPDIR=$2 - shift 2;; - -p) - BUILD_PACKAGE=0 - shift;; - -s) - SKIP_CHECKOUT=1 - shift;; - -x) - ALWAYS_EXITONFAILURE=1 - shift;; - -v) - VERBOSE=1 - shift;; - *) - GROUPLISTFILE=$1 - shift;; - esac -done - -if (( VERBOSE )); then - set -x - HTML_COMMENTS=1 -fi - -# Iterations per test (may want to run each test multiple times?) -ITERS_LOCAL=1 - -LOGCOUNT=0 -SEQ=1 -DATE=$( date +"%Y-%m-%d" ) -TIME=$( date +"%T" ) - -RUNDIRBASE="run-$DATE" -RUNDIR=$TOPDIR/$RUNDIRBASE -LOGBASE=$RUNDIRBASE/tests.log -LOG=$TOPDIR/$LOGBASE -OUTPUT=$RUNDIR/exec.out - -HTMLPATH=$RUNDIRBASE/tests-$DATE.html -HTML=$TOPDIR/$HTMLPATH - -BRANCH=trunk -#BRANCH="branches/tests-01" - -SCRIPTDIR=$( cd $( dirname $0 ) ; /bin/pwd ) - -TESTCOUNT=0 - -MASTER_PID=$$ - -# PIDs to kill if nightly.sh is killed: -PROCESS_PID= -MONITOR_PID= - -# When true, we should exit: -SHUTDOWN=0 - -echo "RUNNING_IN: $RUNDIR" -echo "HTML_OUTPUT: $HTML" - -TESTDIR=$TOPDIR/cog/modules/swift/tests - -# Ensure all given variables are set -checkvars() { - while (( ${#*} )) - do - VAR=$1 - V=$( eval "echo \${${VAR}+1}" ) - [[ $V == 1 ]] || crash "Not set: $VAR" - shift - done - return 0 -} - -checkfail() { - ERR=$? - shift - MSG=${*} - if [[ $ERR != 0 ]]; then - echo "FAILED($ERR): $MSG" - exit $ERR - fi -} - -crash() { - MSG=$1 - echo $MSG - exit 1 -} - -verbose() { - MSG="${*}" - (( $VERBOSE )) && echo $MSG - return 0 -} - -shutdown_trap() { - SHUTDOWN=1 - verbose "shutdown_trap... $PROCESS_PID\n\n" - verbose "kill: process: $PROCESS_PID" - kill $PROCESS_PID -} - -header() { - CURRENT=$SCRIPTDIR/html/current.html - sed "s at _HTMLBASE_@$HTMLPATH@" < $CURRENT > $TOPDIR/current.html - - HEADER=$SCRIPTDIR/html/header.html - HOST=$( hostname ) - SEDCMD="s/_DATE_/$DATE/;s/_TIME_/$TIME/;s/_HOST_/$HOST"/ - sed $SEDCMD < $HEADER > $HTML - FIRSTTEST=1 -} - -html() { - printf "$@\n" >>$HTML - [ $? != 0 ] && echo "html(): write error!" && exit 1 -} - -html_h1() { - TEXT=$1 - html "

    $TEXT

    " -} - -html_a_name() { - NAME=$1 - html "    " -} - -html_a_href() { - HREF=$1 - TEXT=$2 - html "$TEXT" -} - -html_table() { - OPTS="" - while [[ ${#*} > 0 ]] - do - case $1 in - cellpadding) - OPTS="${OPTS}cellpadding=\"$2\" " - shift 2;; - border) - OPTS="${OPTS}border=\"$2\" " - shift 2;; - esac - done - html "" -} - -html_~table() { - html "
    " -} - -html_tr() { - CLASS=$1 - if [ -n $CLASS ]; then - html "" - else - html "" - fi -} - -html_~tr() { - html "" -} - -html_th() { - COLSPAN=$1 - if [ -n $COLSPAN ]; then - html "" - else - html "" - fi -} - -html_~th() { - html "" -} - -html_td() { - OPTS="" - while [[ ${#*} > 0 ]] - do - case $1 in - align) - OPTS="${OPTS}align=\"$2\" " - shift 2;; - class) - OPTS="${OPTS}class=\"$2\" " - shift 2;; - title) - OPTS="${OPTS}title=\"$2\" " - shift 2;; - width) - OPTS="${OPTS}width=\"$2\" " - shift 2;; - esac - done - html "" -} - -html_~td() { - html "" -} - -html_~body() { - html "" -} - -html_~html() { - html "" -} - -html_comment() { - COMMENT=$1 - (( HTML_COMMENTS == 1 )) && html "" -} - -footer() { - html "" - html_comment "End of tests" - - MONTHS=("" "Jan" "Feb" "Mar" "Apr" "May" "Jun" \ - "Jul" "Aug" "Sep" "Oct" "Nov" "Dec") - - if [ "$BINPACKAGE" != "" ]; then - FBP=$RUNDIR/$BINPACKAGE - SIZE=`ls -hs $FBP` - SIZE=${SIZE/$FBP} - cat <>$HTML -

    Binary packages

    - - $BINPACKAGE ($SIZE)
    -DOH - fi - - LASTYR="00" - LASTMO="00" - html "

    Older tests

    " - html '' - html "" - for OLDER in `ls $OUTDIR/tests-*.html|sort`; do - O=`basename $OLDER` - YR=${O:6:2} - MO=${O:8:2} - DY=${O:10:2} - if echo "$DY$MO$YR"|egrep -v "[0-9]{6}"; then - YR=${O#tests-} - YR=${YR%.html} - MO=0 - DY=$YR - else - YR="20$YR" - fi - if [ $LASTYR != $YR ]; then - html "
    " - html "

    $YR

    " - LASTYR=$YR - fi - if [ $LASTMO != $MO ]; then - html "" - html "

    ${MONTHS[$MO]}

    " - html "" - LASTMO=$MO - fi - SUCCESS=`grep 'class="success"' $OLDER|wc -l` - FAILURE=`grep 'class="failure"' $OLDER|wc -l` - if [ "$SUCCESS$FAILURE" == "00" ]; then - COLOR="#e0e0e0" - else - COLOR=`perl -e "printf \"#%02x%02x%02x\", $FAILURE/($SUCCESS+$FAILURE)*220+35, $SUCCESS/($SUCCESS+$FAILURE)*220+35, 40;"` - fi - html "" - done - html "
    $DY


    " - html_~body - html_~html -} - -printlist() { - while [[ $1 != "" ]]; do - echo $1 - shift - done -} - -outecho() { - TYPE=$1 - shift - echo "<$TYPE>$1|$2|$3|$4|$5|$6|$7|$8|$9|" -} - -# Create HTML output -out() { - # echo $@ - TYPE=$1 - if [ "$TYPE" == "test" ]; then - - LABEL="$2" # Text on link to output - CMD=$3 # Command issued (td title) - RESULT=$4 # Passed or Failed - - # WIDTH=$( width "$LABEL" ) - if [ "$RESULT" == "Passed" ]; then - # html "" - html_td class "success" width 25 title "$CMD" - html_a_href $TEST_LOG "$LABEL" - else - echo "FAILED" - cat $RUNDIR/$TEST_LOG < /dev/null - # html "" - html_td class "failure" width 25 title "$CMD" - html_a_href $TEST_LOG $LABEL - fi - html_~td - - elif [ "$TYPE" == "package" ]; then - BINPACKAGE=$2 - else - html $@ - fi -} - -start_test_results() { - html_h1 "Test results" - html_a_name "tests" - html_a_href "tests.log" "Output log from tests" - html_table border 0 cellpadding 1 -} - -start_part() { - PART=$1 - echo - echo $PART - echo - html_tr part - html_th 3 - html "$PART" - html_~th - html_~tr -} - -start_row() { - html_tr testline - html_td align right width 50 - html "$TESTCOUNT" - html " " - html_~td - html_td align right - html " " - if [[ -n $TESTLINK ]]; then - html_a_href $TESTLINK $TESTNAME - else - html $TESTNAME - fi - html " " - html_~td - html_td - html_table - html_tr - SEQ=1 -} - -end_row() { - html_~tr - html_~table - html_~td - html_~tr -} - -# HTML width of label (for alignment) -width() { - LABEL="$1" - if [ ${#LABEL} -gt 2 ]; then - WIDTH="" - else - WIDTH="width=\"20\"" - fi - echo $WIDTH -} - -# TEST_LOG = test log -test_log() { - TEST_LOG="output_$LOGCOUNT.txt" - banner "$LASTCMD" $RUNDIR/$TEST_LOG - if [ -f $OUTPUT ]; then - cp $OUTPUT $RUNDIR/$TEST_LOG 2>>$LOG - cp $OUTPUT $RUNDIR/stdout.txt - fi - let "LOGCOUNT=$LOGCOUNT+1" -} - -stars() { - for i in {1..90} - do - printf "*" - done - echo -} - -banner() { - MSG=$1 - FILE=$2 - - if [ "$FILE" == "" ]; then - BANNER_OUTPUT=$LOG - else - BANNER_OUTPUT=$2 - fi - { - echo "" - # stars - echo "* $MSG" - # stars - } >> $BANNER_OUTPUT -} - -# Check for early bailout condition -check_bailout() { - if [ "$EXITONFAILURE" == "true" ]; then - if [ "$EXITCODE" != "0" ]; then - exit $EXITCODE - fi - fi -} - -# Translate (global) test exit code into result (Passed/Failed) string -result() { - if [ "$EXITCODE" == "0" ]; then - echo "Passed" - else - echo "Failed" - fi -} - -# Execute process in the background -process_exec() { - printf "\nExecuting: $@" >>$LOG - rm -f $OUTPUT - - "$@" > $OUTPUT 2>&1 - EXITCODE=$? - - if [ "$EXITCODE" == "127" ]; then - echo "Command not found: $@" > $OUTPUT - fi - if [ -f $OUTPUT ]; then - cat $OUTPUT >> $LOG - fi - (( $TEST_SHOULD_FAIL )) && EXITCODE=$(( ! $EXITCODE )) - return $EXITCODE -} - -# Execute as part of test set -# Equivalent to monitored_exec() (but w/o monitoring) -test_exec() { - banner "$TEST (part $SEQ)" - echo "Executing $TEST (part $SEQ)" - pwd - printf "\nExecuting: $@" >>$LOG - - rm -f $OUTPUT - "$@" > $OUTPUT 2>&1 - EXITCODE=$? - - if [ "$EXITCODE" == "127" ]; then - echo "Command not found: $@" > $OUTPUT - fi - - if [ -f $OUTPUT ]; then - cat $OUTPUT >> $LOG - fi - - RESULT=$( result ) - test_log - out test $SEQ "$LASTCMD" $RESULT $TEST_LOG - - check_bailout - - let "SEQ=$SEQ+1" - return $EXITCODE -} - -# Background process monitoring function -# To be executed in the background as well -# If the monitored process times out, monitor() kills it and writes -# a message to OUTPUT -# If monitor() kills the process, it returns 0 -# Otherwise, return non-zero (as would result from killing -# this function) - -# sleep can be hard to kill: -SLEEP_PID= -monitor() { - (( $VERBOSE )) && set -x - - PID=$1 - TIMEOUT=$2 # seconds - OUTPUT=$3 - - V=$TESTCOUNT - - sleep $TIMEOUT & - SLEEP_PID=$! - trap trap_sleep SIGINT SIGQUIT SIGTERM - wait - [ $? != 0 ] && verbose "monitor($V) cancelled" && return 0 - - if ps | grep $PID - then - verbose "monitor: killing test process $PID" - touch killed_test - /bin/kill -INT $PID - KILLCODE=$? - if [ $KILLCODE == 0 ]; then - verbose "monitor: killed process_exec (INT)" - fi - fi - - sleep 1 - MSG="nightly.sh: monitor: killed: exceeded $TIMEOUT seconds" - echo "$MSG" >> $OUTPUT - - return 1 -} - -trap_sleep() { - verbose "killing sleep: $SLEEP_PID" - kill $SLEEP_PID -} - -# Execute given command line in background with monitor -# Otherwise equivalent to test_exec() -# usage: monitored_exec * -monitored_exec() -{ - TIMEOUT=$1 - shift - - banner "$TEST (part $SEQ)" - echo "Executing $TEST (part $SEQ)" - - START=$( date +%s ) - - process_exec "$@" & - PROCESS_PID=$! - - monitor $PROCESS_PID $TIMEOUT $OUTPUT & - MONITOR_PID=$! - - wait $PROCESS_PID - EXITCODE=$? - - STOP=$( date +%s ) - - # If the test was killed, monitor() may have work to do - rm killed_test > /dev/null 2>&1 && sleep 5 - verbose "killing monitor: $MONITOR_PID..." - kill $MONITOR_PID - - echo "TOOK: $(( STOP-START ))" - - RESULT=$( result ) - test_log - LASTCMD="$@" - out test $SEQ "$LASTCMD" $RESULT $TEST_LOG - - check_bailout - - let "SEQ=$SEQ+1" -} - -# Execute helper script (setup, check, or clean) -script_exec() { - SCRIPT=$1 - SYMBOL="$2" - - process_exec $SCRIPT - RESULT=$( result ) - - test_log - out test "$SYMBOL" "$LASTCMD" $RESULT - - check_bailout -} - -# Execute Swift test case w/ setup, check, clean -swift_test_case() { - SWIFTSCRIPT=$1 - SETUPSCRIPT=${SWIFTSCRIPT%.swift}.setup.sh - CHECKSCRIPT=${SWIFTSCRIPT%.swift}.check.sh - CLEANSCRIPT=${SWIFTSCRIPT%.swift}.clean.sh - TIMEOUTFILE=${SWIFTSCRIPT%.swift}.timeout - - TEST_SHOULD_FAIL=0 - if [ -x $GROUP/$SETUPSCRIPT ]; then - script_exec $GROUP/$SETUPSCRIPT "S" - fi - - CDM= - [ -r fs.data ] && CDM="-cdm.file fs.data" - - (( TESTCOUNT++ )) - - TIMEOUT=$( gettimeout $GROUP/$TIMEOUTFILE ) - - grep THIS-SCRIPT-SHOULD-FAIL $SWIFTSCRIPT > /dev/null - TEST_SHOULD_FAIL=$(( ! $? )) - - monitored_exec $TIMEOUT swift \ - -wrapperlog.always.transfer true \ - -config swift.properties \ - -sites.file sites.xml \ - -tc.file tc.data \ - $CDM $SWIFTSCRIPT - - TEST_SHOULD_FAIL=0 - if [ -x $GROUP/$CHECKSCRIPT ]; then - script_exec $GROUP/$CHECKSCRIPT "√" - fi - if [ -x $GROUP/$CLEANSCRIPT ]; then - script_exec $GROUP/$CLEANSCRIPT "C" - fi -} - -# Execute shell test case w/ setup, check, clean -script_test_case() { - SHELLSCRIPT=$1 - SETUPSCRIPT=${SHELLSCRIPT%.test.sh}.setup.sh - CHECKSCRIPT=${SHELLSCRIPT%.test.sh}.check.sh - CLEANSCRIPT=${SHELLSCRIPT%.test.sh}.clean.sh - TIMEOUTFILE=${SHELLSCRIPT%.test.sh}.timeout - - TEST_SHOULD_FAIL=0 - if [ -x $GROUP/$SETUPSCRIPT ]; then - script_exec $GROUP/$SETUPSCRIPT "S" - fi - - (( TESTCOUNT++ )) - - # Not using background for script tests yet - # TIMEOUT=$( gettimeout $GROUP/$TIMEOUTFILE ) - - if [ -x $GROUP/$SETUPSCRIPT ]; then - script_exec $GROUP/$SETUPSCRIPT "S" - fi - - if [ -x $GROUP/$SHELLSCRIPT ]; then - script_exec $SHELLSCRIPT "X" - fi - - if [ -x $GROUP/$CHECKSCRIPT ]; then - script_exec $GROUP/$CHECKSCRIPT "√" - fi - if [ -x $GROUP/$CLEANSCRIPT ]; then - script_exec $GROUP/$CLEANSCRIPT "C" - fi -} - -# All timeouts in this script are in seconds -gettimeout() { - FILE=$1 - - if [ -f $FILE ]; then - cat $FILE - else - echo $DEFAULT_TIMEOUT - fi - return 0 -} - -ssexec() { - SEQSAVE=$SEQ - SEQ=$1 - shift - banner "$TEST (part $SEQ)" - echo "Executing $TEST (part $SEQ)" - aexec "$@" - ptest - SEQ=$SEQSAVE -} - -# Fake exec -fexec() { - banner "$TEST (faked)" - echo "Faking $TEST" - EXITCODE=0 - LASTCMD="" - # ptest -} - -build_package() { - TEST="Package" - test_exec cd $SWIFT_HOME/lib - test_exec rm -f castor*.jar *gt2ft*.jar ant.jar - test_exec cd $TOPDIR - test_exec tar -pczf $RUNDIR/swift-$DATE.tar.gz $SWIFT_HOME - out package "swift-$DATE.tar.gz" -} - -# Generate the sites.sed file -make_sites_sed() { - { - echo "s at _WORK_@$WORK@" - echo "s at _HOST_@$GLOBUS_HOSTNAME@" - echo "s at _PROJECT_@$PROJECT@" - echo "s at _QUEUE_@$QUEUE@" - } > $RUNDIR/sites.sed - return 0 -} - -# Setup coasters variables -if which ifconfig > /dev/null 2>&1; then - IFCONFIG=ifconfig -else - IFCONFIG=/sbin/ifconfig -fi -$IFCONFIG > /dev/null 2>&1 || crash "Cannot run ifconfig!" -GLOBUS_HOSTNAME=$( $IFCONFIG | grep inet | head -1 | cut -d ':' -f 2 | \ - awk '{print $1}' ) -[ $? != 0 ] && crash "Could not obtain GLOBUS_HOSTNAME!" - -# Generate sites.xml -group_sites_xml() { - TEMPLATE=$GROUP/sites.template.xml - if [ -f $TEMPLATE ]; then - sed -f $RUNDIR/sites.sed < $TEMPLATE > sites.xml - [ $? != 0 ] && crash "Could not create sites.xml!" - echo "Using: $GROUP/sites.template.xml" - else - sed "s at _WORK_@$PWD/work@" < $TESTDIR/sites/localhost.xml > sites.xml - [ $? != 0 ] && crash "Could not create sites.xml!" - echo "Using: $TESTDIR/sites/localhost.xml" - fi -} - -# Generate tc.data -group_tc_data() { - if [ -f $GROUP/tc.template.data ]; then - sed "s at _DIR_@$GROUP@" < $GROUP/tc.template.data > tc.data - [ $? != 0 ] && crash "Could not create tc.data!" - echo "Using: $GROUP/tc.template.data" - else - cp -v $SWIFT_HOME/etc/tc.data . - [ $? != 0 ] && crash "Could not copy tc.data!" - fi -} - -# Generate the CDM file, fs.data -group_fs_data() { - if [ -f $GROUP/fs.template.data ]; then - sed "s at _PWD_@$PWD@" < $GROUP/fs.template.data > fs.data - [ $? != 0 ] && crash "Could not create fs.data!" - echo "Using: $GROUP/fs.template.data" - else - rm -f fs.data - fi -} - -# Generate swift.properties -group_swift_properties() { - if [ -f $GROUP/swift.properties ]; then - cp -v $GROUP/swift.properties . - [ $? != 0 ] && crash "Could not copy swift.properties!" - else - cp -v $SWIFT_HOME/etc/swift.properties . - [ $? != 0 ] && crash "Could not copy swift.properties!" - fi -} - -# Obtain the group title -group_title() { - if [ -r $GROUP/title.txt ]; then - cat $GROUP/title.txt - else - echo "untitled" - fi -} - -# Execute all tests in current GROUP -test_group() { - - group_sites_xml - group_tc_data - group_fs_data - group_swift_properties - - SWIFTS=$( echo $GROUP/*.swift ) - checkfail "Could not list: $GROUP" - - for TEST in $SWIFTS; do - - (( SKIP_COUNTER++ < SKIP_TESTS )) && continue - - TESTNAME=$( basename $TEST ) - cp -v $GROUP/$TESTNAME . - TESTLINK=$TESTNAME - - start_row - for (( i=0; $i<$ITERS_LOCAL; i=$i+1 )); do - swift_test_case $TESTNAME - (( $TESTCOUNT >= $NUMBER_OF_TESTS )) && return - (( $SHUTDOWN )) && return - done - end_row - done - - SCRIPTS=$( echo $GROUP/*.test.sh ) - checkfail "Could not list: $GROUP" - for TEST in $SCRIPTS; do - - (( SKIP_COUNTER++ < SKIP_TESTS )) && continue - - TESTNAME=$( basename $TEST ) - cp -v $GROUP/$TESTNAME . - TESTLINK=$TESTNAME - - start_row - for ((i=0; $i<$ITERS_LOCAL; i=$i+1)); do - script_test_case $TESTNAME - (( $TESTCOUNT >= $NUMBER_OF_TESTS )) && return - (( $SHUTDOWN )) && return - done - end_row - done -} - -if [[ $WORK == "" ]] -then - WORK=$TOPDIR/work -fi - -checkvars GROUPLISTFILE -echo "GROUPLISTFILE: $GROUPLISTFILE" -source $GROUPLISTFILE || exit 1 - -cd $TOPDIR -mkdir -p $RUNDIR -[ $? != 0 ] && echo "Could not mkdir: $RUNDIR" && exit 1 - -date > $LOG - -make_sites_sed - -header -start_test_results -cd $TOPDIR - -start_part "Prolog: Build" - -TESTLINK= -EXITONFAILURE=true -if [ "$SKIP_CHECKOUT" != "1" ]; then - TESTNAME="Checkout CoG" - start_row - test_exec rm -rf cog - COG="https://cogkit.svn.sourceforge.net/svnroot/cogkit/$COG_VERSION/src/cog" - test_exec svn co $COG - end_row - - TESTNAME="Checkout Swift" - start_row - test_exec cd cog/modules - test_exec rm -rf swift - test_exec svn co https://svn.ci.uchicago.edu/svn/vdl2/$SWIFT_VERSION swift - end_row -fi - -TESTNAME="Compile" -start_row - -test_exec cd $TOPDIR/cog/modules/swift -if (( $CLEAN )); then - test_exec rm -rf dist -fi -if (( $RUN_ANT )); then - test_exec ant -quiet dist -fi -SWIFT_HOME=$TOPDIR/cog/modules/swift/dist/swift-svn - -if [ $BUILD_PACKAGE = "1" ]; then - build_package -fi - -end_row - -PATH=$SWIFT_HOME/bin:$PATH -cd $TOPDIR -echo "USING: $( which swift )" -cd $RUNDIR - -if [ $ALWAYS_EXITONFAILURE != "1" ]; then - EXITONFAILURE=false -fi - -trap "shutdown_trap" SIGINT SIGTERM - -SKIP_COUNTER=0 - -GROUPCOUNT=1 -for G in ${GROUPLIST[@]}; do - export GROUP=$G - TITLE=$( group_title ) - start_part "Part $GROUPCOUNT: $TITLE" - test_group - (( GROUPCOUNT++ )) - (( $TESTCOUNT >= $NUMBER_OF_TESTS )) && break - (( $SHUTDOWN )) && break -done - -if [ $GRID_TESTS == "0" ]; then - exit 0 -fi - -TESTPART="Appendix G: Grid Tests" - -for TEST in `ls $TESTDIR/*.dtm $TESTDIR/*.swift`; do - BN=`basename $TEST` - echo $BN - cp $TESTDIR/$BN . - - TESTNAME=${BN%.dtm} - TESTNAME=${TESTNAME%.swift} - TEST="    $TESTNAME" - - ssexec "Compile" vdlc $BN - for ((i=0; $i<9; i=$i+1)); do - test_exec swift -sites.file ~/.vdl2/sites-grid.xml $TESTNAME.kml - done - test_exec swift -sites.file ~/.vdl2/sites-grid.xml $TESTNAME.kml -done - -footer - -exit 0 - -# Local Variables: -# sh-basic-offset: 2 -# End: Copied: trunk/tests/suite.sh (from rev 4261, trunk/tests/nightly.sh) =================================================================== --- trunk/tests/suite.sh (rev 0) +++ trunk/tests/suite.sh 2011-04-04 17:57:09 UTC (rev 4262) @@ -0,0 +1,1089 @@ +#!/bin/bash + +# USAGE NOTES: + +# The script will (optionally) checkout Swift, run several tests in a +# subdirectory called run-DATE, and generate useful HTML output and +# tests.log + +# Usage: nightly.sh * + +# Run nightly.sh -h for quick help +# When something goes wrong, find and check tests.log or use -v +# Code is checked out into TOPDIR (PWD by default) (PATH is not used) +# The variables COG_VERSION and SWIFT_VERSION must be set for code checkout +# e.g. COG_VERSION=branches/4.1.8, SWIFT_VERSION=branches/release-0.92 +# Swift is compiled and installed in its source tree +# The run is executed in RUNDIR (TOPDIR/RUNDIRBASE) +# The build test is started in TOPDIR +# Everything for a Swift test is written in its RUNDIR +# The temporary output always goes to OUTPUT (TOPDIR/exec.out) + +# Each *.swift test may be accompanied by a +# *.setup.sh, *.check.sh, and/or *.clean.sh script +# and a *.timeout specifier +# The scripts may setup and inspect files in RUNDIR including exec.out, +# which must be accessed in stdout.txt, because the currently running +# tested process writes to exec.out, stdout.txt is a copy. +# The GROUP scripts can read the GROUP variable +# The timeout number in the *.timeout file overrides the default +# timeout + +# Tests are GROUPed into directories +# Each GROUP directory has: +# 1) a list of *.swift tests (plus *.sh scripts) +# 2) optionally a sites.template.xml +# 3) optionally a tc.template.data +# 4) optionally a fs.template.data +# 5) optionally a swift.properties +# 6) optionally a title.txt +# 7) preferably a README.txt +# 7) optionally a *.timeout +# template files are lightly processed by sed before use +# Missing files will be pulled from swift/etc + +# The GROUPLIST is obtained from an external script in the +# groups/ subdirectory by the name of GROUPLISTFILE. +# The GROUPLISTFILE: +# 1) sets the array +# 2) checks any variables needed by make_sites_sed() + +# OUTPUT is the stdout of the current test +# stdout.txt retains stdout from the previous test (for *.clean.sh) +# output_*.txt is the HTML-linked permanent output from a test + +# All timeouts in this script are in seconds + +# PID TREE: +# Background processes are used so that hung Swift jobs can be killed +# These are the background processes (PIDs are tracked) +# Note that PID management has not yet been perfected. Check ps +# in error cases, especially if you kill nightly.sh . +# +# nightly.sh +# +-monitor() +# +-sleep +# +-process_exec() +# +-bin/swift +# +-java + +# FAILURE CASES +# Some cases are designed to cause Swift to crash. These +# SwiftScripts contain the token THIS-SCRIPT-SHOULD-FAIL somewhere. +# The response of nightly.sh to the exit code of these Swift +# executions is reversed. + +# SCHEDULERS +# Environment must contain PROJECT, QUEUE, and WORK +# These variables will be incorporated into the sites.xml +# via make_sites_sed() -> group_sites_xml() +# Note that some schedulers restrict your choice of RUNDIR + +# NAMING +# Site-specific test groups are in providers/ . +# These are named: +# providers// +# or: +# providers// +# E.g., providers/local-pbs/PADS + +# WARNINGS +# nightly.sh uses shopt + +shopt -s nullglob + +printhelp() { + echo "nightly.sh " + echo "" + echo "usage:" + printf "\t -a Do not run ant dist \n" + printf "\t -c Do not remove dist (clean) \n" + printf "\t -g Do not run grid tests \n" + printf "\t -h This message \n" + printf "\t -k Skip first N tests \n" + printf "\t -n Run N tests and quit \n" + printf "\t -p Do not build the package \n" + printf "\t -s Do not do a fresh svn checkout \n" + printf "\t -x Do not continue after a failure \n" + printf "\t -v Verbose (set -x, HTML comments) \n" + printf "\t -o output Location for output (TOPDIR) \n" + printf "\t GROUPLIST definition file \n" +} + +# Defaults: +DEFAULT_TIMEOUT=30 # seconds +RUN_ANT=1 +CLEAN=1 +SKIP_TESTS=0 +NUMBER_OF_TESTS=1000000 # Run all tests by default +BUILD_PACKAGE=1 +GRID_TESTS=1 +SKIP_CHECKOUT=0 +ALWAYS_EXITONFAILURE=0 +VERBOSE=0 +# The directory in which to start: +TOPDIR=$PWD + +while [ $# -gt 0 ]; do + case $1 in + -a) + RUN_ANT=0 + shift;; + -c) + CLEAN=0 + shift;; + -g) + GRID_TESTS=0 + shift;; + -h) + printhelp + exit 0;; + -k) + SKIP_TESTS=$2 + shift 2;; + -n) + NUMBER_OF_TESTS=$2 + shift 2;; + -o) + TOPDIR=$2 + shift 2;; + -p) + BUILD_PACKAGE=0 + shift;; + -s) + SKIP_CHECKOUT=1 + shift;; + -x) + ALWAYS_EXITONFAILURE=1 + shift;; + -v) + VERBOSE=1 + shift;; + *) + GROUPLISTFILE=$1 + shift;; + esac +done + +if (( VERBOSE )); then + set -x + HTML_COMMENTS=1 +fi + +# Iterations per test (may want to run each test multiple times?) +ITERS_LOCAL=1 + +LOGCOUNT=0 +SEQ=1 +DATE=$( date +"%Y-%m-%d" ) +TIME=$( date +"%T" ) + +RUNDIRBASE="run-$DATE" +RUNDIR=$TOPDIR/$RUNDIRBASE +LOGBASE=$RUNDIRBASE/tests.log +LOG=$TOPDIR/$LOGBASE +OUTPUT=$RUNDIR/exec.out + +HTMLPATH=$RUNDIRBASE/tests-$DATE.html +HTML=$TOPDIR/$HTMLPATH + +BRANCH=trunk +#BRANCH="branches/tests-01" + +SCRIPTDIR=$( cd $( dirname $0 ) ; /bin/pwd ) + +TESTCOUNT=0 + +MASTER_PID=$$ + +# PIDs to kill if nightly.sh is killed: +PROCESS_PID= +MONITOR_PID= + +# When true, we should exit: +SHUTDOWN=0 + +echo "RUNNING_IN: $RUNDIR" +echo "HTML_OUTPUT: $HTML" + +TESTDIR=$TOPDIR/cog/modules/swift/tests + +# Ensure all given variables are set +checkvars() { + while (( ${#*} )) + do + VAR=$1 + V=$( eval "echo \${${VAR}+1}" ) + [[ $V == 1 ]] || crash "Not set: $VAR" + shift + done + return 0 +} + +checkfail() { + ERR=$? + shift + MSG=${*} + if [[ $ERR != 0 ]]; then + echo "FAILED($ERR): $MSG" + exit $ERR + fi +} + +crash() { + MSG=$1 + echo $MSG + exit 1 +} + +verbose() { + MSG="${*}" + (( $VERBOSE )) && echo $MSG + return 0 +} + +shutdown_trap() { + SHUTDOWN=1 + verbose "shutdown_trap... $PROCESS_PID\n\n" + verbose "kill: process: $PROCESS_PID" + kill $PROCESS_PID +} + +header() { + CURRENT=$SCRIPTDIR/html/current.html + sed "s at _HTMLBASE_@$HTMLPATH@" < $CURRENT > $TOPDIR/current.html + + HEADER=$SCRIPTDIR/html/header.html + HOST=$( hostname ) + SEDCMD="s/_DATE_/$DATE/;s/_TIME_/$TIME/;s/_HOST_/$HOST"/ + sed $SEDCMD < $HEADER > $HTML + FIRSTTEST=1 +} + +html() { + printf "$@\n" >>$HTML + [ $? != 0 ] && echo "html(): write error!" && exit 1 +} + +html_h1() { + TEXT=$1 + html "

    $TEXT

    " +} + +html_a_name() { + NAME=$1 + html "" +} + +html_a_href() { + HREF=$1 + TEXT=$2 + html "$TEXT" +} + +html_table() { + OPTS="" + while [[ ${#*} > 0 ]] + do + case $1 in + cellpadding) + OPTS="${OPTS}cellpadding=\"$2\" " + shift 2;; + border) + OPTS="${OPTS}border=\"$2\" " + shift 2;; + esac + done + html "" +} + +html_~table() { + html "
    " +} + +html_tr() { + CLASS=$1 + if [ -n $CLASS ]; then + html "" + else + html "" + fi +} + +html_~tr() { + html "" +} + +html_th() { + COLSPAN=$1 + if [ -n $COLSPAN ]; then + html "" + else + html "" + fi +} + +html_~th() { + html "" +} + +html_td() { + OPTS="" + while [[ ${#*} > 0 ]] + do + case $1 in + align) + OPTS="${OPTS}align=\"$2\" " + shift 2;; + class) + OPTS="${OPTS}class=\"$2\" " + shift 2;; + title) + OPTS="${OPTS}title=\"$2\" " + shift 2;; + width) + OPTS="${OPTS}width=\"$2\" " + shift 2;; + esac + done + html "" +} + +html_~td() { + html "" +} + +html_~body() { + html "" +} + +html_~html() { + html "" +} + +html_comment() { + COMMENT=$1 + (( HTML_COMMENTS == 1 )) && html "" +} + +footer() { + html "" + html_comment "End of tests" + + MONTHS=("" "Jan" "Feb" "Mar" "Apr" "May" "Jun" \ + "Jul" "Aug" "Sep" "Oct" "Nov" "Dec") + + if [ "$BINPACKAGE" != "" ]; then + FBP=$RUNDIR/$BINPACKAGE + SIZE=`ls -hs $FBP` + SIZE=${SIZE/$FBP} + cat <>$HTML +

    Binary packages

    + + $BINPACKAGE ($SIZE)
    +DOH + fi + + LASTYR="00" + LASTMO="00" + html "

    Older tests

    " + html '' + html "" + for OLDER in `ls $OUTDIR/tests-*.html|sort`; do + O=`basename $OLDER` + YR=${O:6:2} + MO=${O:8:2} + DY=${O:10:2} + if echo "$DY$MO$YR"|egrep -v "[0-9]{6}"; then + YR=${O#tests-} + YR=${YR%.html} + MO=0 + DY=$YR + else + YR="20$YR" + fi + if [ $LASTYR != $YR ]; then + html "
    " + html "

    $YR

    " + LASTYR=$YR + fi + if [ $LASTMO != $MO ]; then + html "" + html "

    ${MONTHS[$MO]}

    " + html "" + LASTMO=$MO + fi + SUCCESS=`grep 'class="success"' $OLDER|wc -l` + FAILURE=`grep 'class="failure"' $OLDER|wc -l` + if [ "$SUCCESS$FAILURE" == "00" ]; then + COLOR="#e0e0e0" + else + COLOR=`perl -e "printf \"#%02x%02x%02x\", $FAILURE/($SUCCESS+$FAILURE)*220+35, $SUCCESS/($SUCCESS+$FAILURE)*220+35, 40;"` + fi + html "" + done + html "
    $DY


    " + html_~body + html_~html +} + +printlist() { + while [[ $1 != "" ]]; do + echo $1 + shift + done +} + +outecho() { + TYPE=$1 + shift + echo "<$TYPE>$1|$2|$3|$4|$5|$6|$7|$8|$9|" +} + +# Create HTML output +out() { + # echo $@ + TYPE=$1 + if [ "$TYPE" == "test" ]; then + + LABEL="$2" # Text on link to output + CMD=$3 # Command issued (td title) + RESULT=$4 # Passed or Failed + + # WIDTH=$( width "$LABEL" ) + if [ "$RESULT" == "Passed" ]; then + # html "" + html_td class "success" width 25 title "$CMD" + html_a_href $TEST_LOG "$LABEL" + else + echo "FAILED" + cat $RUNDIR/$TEST_LOG < /dev/null + # html "" + html_td class "failure" width 25 title "$CMD" + html_a_href $TEST_LOG $LABEL + fi + html_~td + + elif [ "$TYPE" == "package" ]; then + BINPACKAGE=$2 + else + html $@ + fi +} + +start_test_results() { + html_h1 "Test results" + html_a_name "tests" + html_a_href "tests.log" "Output log from tests" + html_table border 0 cellpadding 1 +} + +start_part() { + PART=$1 + echo + echo $PART + echo + html_tr part + html_th 3 + html "$PART" + html_~th + html_~tr +} + +start_row() { + html_tr testline + html_td align right width 50 + html "$TESTCOUNT" + html " " + html_~td + html_td align right + html " " + if [[ -n $TESTLINK ]]; then + html_a_href $TESTLINK $TESTNAME + else + html $TESTNAME + fi + html " " + html_~td + html_td + html_table + html_tr + SEQ=1 +} + +end_row() { + html_~tr + html_~table + html_~td + html_~tr +} + +# HTML width of label (for alignment) +width() { + LABEL="$1" + if [ ${#LABEL} -gt 2 ]; then + WIDTH="" + else + WIDTH="width=\"20\"" + fi + echo $WIDTH +} + +# TEST_LOG = test log +test_log() { + TEST_LOG="output_$LOGCOUNT.txt" + banner "$LASTCMD" $RUNDIR/$TEST_LOG + if [ -f $OUTPUT ]; then + cp $OUTPUT $RUNDIR/$TEST_LOG 2>>$LOG + cp $OUTPUT $RUNDIR/stdout.txt + fi + let "LOGCOUNT=$LOGCOUNT+1" +} + +stars() { + for i in {1..90} + do + printf "*" + done + echo +} + +banner() { + MSG=$1 + FILE=$2 + + if [ "$FILE" == "" ]; then + BANNER_OUTPUT=$LOG + else + BANNER_OUTPUT=$2 + fi + { + echo "" + # stars + echo "* $MSG" + # stars + } >> $BANNER_OUTPUT +} + +# Check for early bailout condition +check_bailout() { + if [ "$EXITONFAILURE" == "true" ]; then + if [ "$EXITCODE" != "0" ]; then + exit $EXITCODE + fi + fi +} + +# Translate (global) test exit code into result (Passed/Failed) string +result() { + if [ "$EXITCODE" == "0" ]; then + echo "Passed" + else + echo "Failed" + fi +} + +# Execute process in the background +process_exec() { + printf "\nExecuting: $@" >>$LOG + rm -f $OUTPUT + + "$@" > $OUTPUT 2>&1 + EXITCODE=$? + + if [ "$EXITCODE" == "127" ]; then + echo "Command not found: $@" > $OUTPUT + fi + if [ -f $OUTPUT ]; then + cat $OUTPUT >> $LOG + fi + (( $TEST_SHOULD_FAIL )) && EXITCODE=$(( ! $EXITCODE )) + return $EXITCODE +} + +# Execute as part of test set +# Equivalent to monitored_exec() (but w/o monitoring) +test_exec() { + banner "$TEST (part $SEQ)" + echo "Executing $TEST (part $SEQ)" + pwd + printf "\nExecuting: $@" >>$LOG + + rm -f $OUTPUT + "$@" > $OUTPUT 2>&1 + EXITCODE=$? + + if [ "$EXITCODE" == "127" ]; then + echo "Command not found: $@" > $OUTPUT + fi + + if [ -f $OUTPUT ]; then + cat $OUTPUT >> $LOG + fi + + RESULT=$( result ) + test_log + out test $SEQ "$LASTCMD" $RESULT $TEST_LOG + + check_bailout + + let "SEQ=$SEQ+1" + return $EXITCODE +} + +# Background process monitoring function +# To be executed in the background as well +# If the monitored process times out, monitor() kills it and writes +# a message to OUTPUT +# If monitor() kills the process, it returns 0 +# Otherwise, return non-zero (as would result from killing +# this function) + +# sleep can be hard to kill: +SLEEP_PID= +monitor() { + (( $VERBOSE )) && set -x + + PID=$1 + TIMEOUT=$2 # seconds + OUTPUT=$3 + + V=$TESTCOUNT + + sleep $TIMEOUT & + SLEEP_PID=$! + trap trap_sleep SIGINT SIGQUIT SIGTERM + wait + [ $? != 0 ] && verbose "monitor($V) cancelled" && return 0 + + if ps | grep $PID + then + verbose "monitor: killing test process $PID" + touch killed_test + /bin/kill -INT $PID + KILLCODE=$? + if [ $KILLCODE == 0 ]; then + verbose "monitor: killed process_exec (INT)" + fi + fi + + sleep 1 + MSG="nightly.sh: monitor: killed: exceeded $TIMEOUT seconds" + echo "$MSG" >> $OUTPUT + + return 1 +} + +trap_sleep() { + verbose "killing sleep: $SLEEP_PID" + kill $SLEEP_PID +} + +# Execute given command line in background with monitor +# Otherwise equivalent to test_exec() +# usage: monitored_exec * +monitored_exec() +{ + TIMEOUT=$1 + shift + + banner "$TEST (part $SEQ)" + echo "Executing $TEST (part $SEQ)" + + START=$( date +%s ) + + process_exec "$@" & + PROCESS_PID=$! + + monitor $PROCESS_PID $TIMEOUT $OUTPUT & + MONITOR_PID=$! + + wait $PROCESS_PID + EXITCODE=$? + + STOP=$( date +%s ) + + # If the test was killed, monitor() may have work to do + rm killed_test > /dev/null 2>&1 && sleep 5 + verbose "killing monitor: $MONITOR_PID..." + kill $MONITOR_PID + + echo "TOOK: $(( STOP-START ))" + + RESULT=$( result ) + test_log + LASTCMD="$@" + out test $SEQ "$LASTCMD" $RESULT $TEST_LOG + + check_bailout + + let "SEQ=$SEQ+1" +} + +# Execute helper script (setup, check, or clean) +script_exec() { + SCRIPT=$1 + SYMBOL="$2" + + process_exec $SCRIPT + RESULT=$( result ) + + test_log + out test "$SYMBOL" "$LASTCMD" $RESULT + + check_bailout +} + +# Execute Swift test case w/ setup, check, clean +swift_test_case() { + SWIFTSCRIPT=$1 + SETUPSCRIPT=${SWIFTSCRIPT%.swift}.setup.sh + CHECKSCRIPT=${SWIFTSCRIPT%.swift}.check.sh + CLEANSCRIPT=${SWIFTSCRIPT%.swift}.clean.sh + TIMEOUTFILE=${SWIFTSCRIPT%.swift}.timeout + + TEST_SHOULD_FAIL=0 + if [ -x $GROUP/$SETUPSCRIPT ]; then + script_exec $GROUP/$SETUPSCRIPT "S" + fi + + CDM= + [ -r fs.data ] && CDM="-cdm.file fs.data" + + (( TESTCOUNT++ )) + + TIMEOUT=$( gettimeout $GROUP/$TIMEOUTFILE ) + + grep THIS-SCRIPT-SHOULD-FAIL $SWIFTSCRIPT > /dev/null + TEST_SHOULD_FAIL=$(( ! $? )) + + monitored_exec $TIMEOUT swift \ + -wrapperlog.always.transfer true \ + -config swift.properties \ + -sites.file sites.xml \ + -tc.file tc.data \ + $CDM $SWIFTSCRIPT + + TEST_SHOULD_FAIL=0 + if [ -x $GROUP/$CHECKSCRIPT ]; then + script_exec $GROUP/$CHECKSCRIPT "√" + fi + if [ -x $GROUP/$CLEANSCRIPT ]; then + script_exec $GROUP/$CLEANSCRIPT "C" + fi +} + +# Execute shell test case w/ setup, check, clean +script_test_case() { + SHELLSCRIPT=$1 + SETUPSCRIPT=${SHELLSCRIPT%.test.sh}.setup.sh + CHECKSCRIPT=${SHELLSCRIPT%.test.sh}.check.sh + CLEANSCRIPT=${SHELLSCRIPT%.test.sh}.clean.sh + TIMEOUTFILE=${SHELLSCRIPT%.test.sh}.timeout + + TEST_SHOULD_FAIL=0 + if [ -x $GROUP/$SETUPSCRIPT ]; then + script_exec $GROUP/$SETUPSCRIPT "S" + fi + + (( TESTCOUNT++ )) + + # Not using background for script tests yet + # TIMEOUT=$( gettimeout $GROUP/$TIMEOUTFILE ) + + if [ -x $GROUP/$SETUPSCRIPT ]; then + script_exec $GROUP/$SETUPSCRIPT "S" + fi + + if [ -x $GROUP/$SHELLSCRIPT ]; then + script_exec $SHELLSCRIPT "X" + fi + + if [ -x $GROUP/$CHECKSCRIPT ]; then + script_exec $GROUP/$CHECKSCRIPT "√" + fi + if [ -x $GROUP/$CLEANSCRIPT ]; then + script_exec $GROUP/$CLEANSCRIPT "C" + fi +} + +# All timeouts in this script are in seconds +gettimeout() { + FILE=$1 + + if [ -f $FILE ]; then + cat $FILE + else + echo $DEFAULT_TIMEOUT + fi + return 0 +} + +ssexec() { + SEQSAVE=$SEQ + SEQ=$1 + shift + banner "$TEST (part $SEQ)" + echo "Executing $TEST (part $SEQ)" + aexec "$@" + ptest + SEQ=$SEQSAVE +} + +# Fake exec +fexec() { + banner "$TEST (faked)" + echo "Faking $TEST" + EXITCODE=0 + LASTCMD="" + # ptest +} + +build_package() { + TEST="Package" + test_exec cd $SWIFT_HOME/lib + test_exec rm -f castor*.jar *gt2ft*.jar ant.jar + test_exec cd $TOPDIR + test_exec tar -pczf $RUNDIR/swift-$DATE.tar.gz $SWIFT_HOME + out package "swift-$DATE.tar.gz" +} + +# Generate the sites.sed file +make_sites_sed() { + { + echo "s at _WORK_@$WORK@" + echo "s at _HOST_@$GLOBUS_HOSTNAME@" + echo "s at _PROJECT_@$PROJECT@" + echo "s at _QUEUE_@$QUEUE@" + } > $RUNDIR/sites.sed + return 0 +} + +# Setup coasters variables +if which ifconfig > /dev/null 2>&1; then + IFCONFIG=ifconfig +else + IFCONFIG=/sbin/ifconfig +fi +$IFCONFIG > /dev/null 2>&1 || crash "Cannot run ifconfig!" +GLOBUS_HOSTNAME=$( $IFCONFIG | grep inet | head -1 | cut -d ':' -f 2 | \ + awk '{print $1}' ) +[ $? != 0 ] && crash "Could not obtain GLOBUS_HOSTNAME!" + +# Generate sites.xml +group_sites_xml() { + TEMPLATE=$GROUP/sites.template.xml + if [ -f $TEMPLATE ]; then + sed -f $RUNDIR/sites.sed < $TEMPLATE > sites.xml + [ $? != 0 ] && crash "Could not create sites.xml!" + echo "Using: $GROUP/sites.template.xml" + else + sed "s at _WORK_@$PWD/work@" < $TESTDIR/sites/localhost.xml > sites.xml + [ $? != 0 ] && crash "Could not create sites.xml!" + echo "Using: $TESTDIR/sites/localhost.xml" + fi +} + +# Generate tc.data +group_tc_data() { + if [ -f $GROUP/tc.template.data ]; then + sed "s at _DIR_@$GROUP@" < $GROUP/tc.template.data > tc.data + [ $? != 0 ] && crash "Could not create tc.data!" + echo "Using: $GROUP/tc.template.data" + else + cp -v $SWIFT_HOME/etc/tc.data . + [ $? != 0 ] && crash "Could not copy tc.data!" + fi +} + +# Generate the CDM file, fs.data +group_fs_data() { + if [ -f $GROUP/fs.template.data ]; then + sed "s at _PWD_@$PWD@" < $GROUP/fs.template.data > fs.data + [ $? != 0 ] && crash "Could not create fs.data!" + echo "Using: $GROUP/fs.template.data" + else + rm -f fs.data + fi +} + +# Generate swift.properties +group_swift_properties() { + if [ -f $GROUP/swift.properties ]; then + cp -v $GROUP/swift.properties . + [ $? != 0 ] && crash "Could not copy swift.properties!" + else + cp -v $SWIFT_HOME/etc/swift.properties . + [ $? != 0 ] && crash "Could not copy swift.properties!" + fi +} + +# Obtain the group title +group_title() { + if [ -r $GROUP/title.txt ]; then + cat $GROUP/title.txt + else + echo "untitled" + fi +} + +# Execute all tests in current GROUP +test_group() { + + group_sites_xml + group_tc_data + group_fs_data + group_swift_properties + + SWIFTS=$( echo $GROUP/*.swift ) + checkfail "Could not list: $GROUP" + + for TEST in $SWIFTS; do + + (( SKIP_COUNTER++ < SKIP_TESTS )) && continue + + TESTNAME=$( basename $TEST ) + cp -v $GROUP/$TESTNAME . + TESTLINK=$TESTNAME + + start_row + for (( i=0; $i<$ITERS_LOCAL; i=$i+1 )); do + swift_test_case $TESTNAME + (( $TESTCOUNT >= $NUMBER_OF_TESTS )) && return + (( $SHUTDOWN )) && return + done + end_row + done + + SCRIPTS=$( echo $GROUP/*.test.sh ) + checkfail "Could not list: $GROUP" + for TEST in $SCRIPTS; do + + (( SKIP_COUNTER++ < SKIP_TESTS )) && continue + + TESTNAME=$( basename $TEST ) + cp -v $GROUP/$TESTNAME . + TESTLINK=$TESTNAME + + start_row + for ((i=0; $i<$ITERS_LOCAL; i=$i+1)); do + script_test_case $TESTNAME + (( $TESTCOUNT >= $NUMBER_OF_TESTS )) && return + (( $SHUTDOWN )) && return + done + end_row + done +} + +if [[ $WORK == "" ]] +then + WORK=$TOPDIR/work +fi + +checkvars GROUPLISTFILE +echo "GROUPLISTFILE: $GROUPLISTFILE" +source $GROUPLISTFILE || exit 1 + +cd $TOPDIR +mkdir -p $RUNDIR +[ $? != 0 ] && echo "Could not mkdir: $RUNDIR" && exit 1 + +date > $LOG + +make_sites_sed + +header +start_test_results +cd $TOPDIR + +start_part "Prolog: Build" + +TESTLINK= +EXITONFAILURE=true +if [ "$SKIP_CHECKOUT" != "1" ]; then + TESTNAME="Checkout CoG" + start_row + test_exec rm -rf cog + COG="https://cogkit.svn.sourceforge.net/svnroot/cogkit/$COG_VERSION/src/cog" + test_exec svn co $COG + end_row + + TESTNAME="Checkout Swift" + start_row + test_exec cd cog/modules + test_exec rm -rf swift + test_exec svn co https://svn.ci.uchicago.edu/svn/vdl2/$SWIFT_VERSION swift + end_row +fi + +TESTNAME="Compile" +start_row + +test_exec cd $TOPDIR/cog/modules/swift +if (( $CLEAN )); then + test_exec rm -rf dist +fi +if (( $RUN_ANT )); then + test_exec ant -quiet dist +fi +SWIFT_HOME=$TOPDIR/cog/modules/swift/dist/swift-svn + +if [ $BUILD_PACKAGE = "1" ]; then + build_package +fi + +end_row + +PATH=$SWIFT_HOME/bin:$PATH +cd $TOPDIR +echo "USING: $( which swift )" +cd $RUNDIR + +if [ $ALWAYS_EXITONFAILURE != "1" ]; then + EXITONFAILURE=false +fi + +trap "shutdown_trap" SIGINT SIGTERM + +SKIP_COUNTER=0 + +GROUPCOUNT=1 +for G in ${GROUPLIST[@]}; do + export GROUP=$G + TITLE=$( group_title ) + start_part "Part $GROUPCOUNT: $TITLE" + test_group + (( GROUPCOUNT++ )) + (( $TESTCOUNT >= $NUMBER_OF_TESTS )) && break + (( $SHUTDOWN )) && break +done + +if [ $GRID_TESTS == "0" ]; then + exit 0 +fi + +TESTPART="Appendix G: Grid Tests" + +for TEST in `ls $TESTDIR/*.dtm $TESTDIR/*.swift`; do + BN=`basename $TEST` + echo $BN + cp $TESTDIR/$BN . + + TESTNAME=${BN%.dtm} + TESTNAME=${TESTNAME%.swift} + TEST="    $TESTNAME" + + ssexec "Compile" vdlc $BN + for ((i=0; $i<9; i=$i+1)); do + test_exec swift -sites.file ~/.vdl2/sites-grid.xml $TESTNAME.kml + done + test_exec swift -sites.file ~/.vdl2/sites-grid.xml $TESTNAME.kml +done + +footer + +exit 0 + +# Local Variables: +# sh-basic-offset: 2 +# End: From ketan at ci.uchicago.edu Mon Apr 4 15:03:28 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Mon, 4 Apr 2011 15:03:28 -0500 (CDT) Subject: [Swift-commit] r4266 - SwiftApps Message-ID: <20110404200328.06BDF9CCA0@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-04 15:03:27 -0500 (Mon, 04 Apr 2011) New Revision: 4266 Added: SwiftApps/modFTdock/ Log: created modFTdock directory From ketan at ci.uchicago.edu Mon Apr 4 15:30:18 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Mon, 4 Apr 2011 15:30:18 -0500 (CDT) Subject: [Swift-commit] r4269 - in SwiftApps/modFTdock: . app Message-ID: <20110404203018.94D739CCA0@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-04 15:30:18 -0500 (Mon, 04 Apr 2011) New Revision: 4269 Added: SwiftApps/modFTdock/app/ SwiftApps/modFTdock/app/2PHN.pdb SwiftApps/modFTdock/app/2PHN_000.dat SwiftApps/modFTdock/app/4TRA.pdb SwiftApps/modFTdock/app/campaign-status.sh SwiftApps/modFTdock/app/dock.out SwiftApps/modFTdock/app/modftdock.BKP.sh SwiftApps/modFTdock/app/modftdock.sh SwiftApps/modFTdock/app/modftdock.sh.2011.0225 SwiftApps/modFTdock/app/modftdock.tgz SwiftApps/modFTdock/app/modftdock32 SwiftApps/modFTdock/app/modftdock64 SwiftApps/modFTdock/app/modmerge SwiftApps/modFTdock/app/mp01.sub SwiftApps/modFTdock/app/output/ SwiftApps/modFTdock/app/params_2PHN_000.dat SwiftApps/modFTdock/app/params_2PHN_001.dat SwiftApps/modFTdock/app/params_2PHN_076.dat SwiftApps/modFTdock/app/pdb.list SwiftApps/modFTdock/app/scores_2PHN_000.dat SwiftApps/modFTdock/app/scores_2PHN_001.dat SwiftApps/modFTdock/app/scores_2PHN_076.dat SwiftApps/modFTdock/app/swift.log Log: added app folder Added: SwiftApps/modFTdock/app/2PHN.pdb =================================================================== --- SwiftApps/modFTdock/app/2PHN.pdb (rev 0) +++ SwiftApps/modFTdock/app/2PHN.pdb 2011-04-04 20:30:18 UTC (rev 4269) @@ -0,0 +1,4082 @@ +ATOM 1 N ARG A 2 21.121 -40.146 3.468 1.00 26.72 N +ATOM 2 CA ARG A 2 20.420 -39.182 2.546 1.00 25.66 C +ATOM 3 C ARG A 2 19.912 -37.954 3.304 1.00 22.36 C +ATOM 4 O ARG A 2 19.391 -38.030 4.418 1.00 24.08 O +ATOM 5 CB ARG A 2 19.231 -39.825 1.845 1.00 26.15 C +ATOM 6 CG ARG A 2 18.697 -39.010 0.704 1.00 27.44 C +ATOM 7 CD ARG A 2 17.543 -39.688 -0.014 1.00 29.50 C +ATOM 8 NE ARG A 2 16.345 -39.802 0.821 0.50 31.36 N +ATOM 9 CZ ARG A 2 15.530 -38.798 1.145 0.50 32.66 C +ATOM 10 NH1 ARG A 2 15.765 -37.557 0.726 0.50 33.96 N +ATOM 11 NH2 ARG A 2 14.470 -39.032 1.913 0.50 32.54 N +ATOM 12 N VAL A 3 20.056 -36.822 2.661 1.00 18.21 N +ATOM 13 CA VAL A 3 19.673 -35.550 3.235 1.00 16.20 C +ATOM 14 C VAL A 3 18.548 -35.048 2.359 1.00 14.47 C +ATOM 15 O VAL A 3 18.590 -35.196 1.141 1.00 16.04 O +ATOM 16 CB VAL A 3 20.908 -34.602 3.236 1.00 16.44 C +ATOM 17 CG1 VAL A 3 20.523 -33.172 3.656 1.00 17.10 C +ATOM 18 CG2 VAL A 3 22.001 -35.190 4.131 1.00 18.06 C +ATOM 19 N AGLU A 4 17.529 -34.467 2.981 0.50 13.67 N +ATOM 20 N BGLU A 4 17.524 -34.488 2.982 0.50 13.74 N +ATOM 21 CA AGLU A 4 16.395 -33.884 2.283 0.50 13.84 C +ATOM 22 CA BGLU A 4 16.420 -33.885 2.272 0.50 14.00 C +ATOM 23 C AGLU A 4 16.307 -32.391 2.591 0.50 13.06 C +ATOM 24 C BGLU A 4 16.467 -32.383 2.560 0.50 12.96 C +ATOM 25 O AGLU A 4 16.308 -32.001 3.766 0.50 12.67 O +ATOM 26 O BGLU A 4 16.805 -31.974 3.679 0.50 12.45 O +ATOM 27 CB AGLU A 4 15.093 -34.512 2.759 0.50 14.68 C +ATOM 28 CB BGLU A 4 15.084 -34.456 2.748 0.50 14.99 C +ATOM 29 CG AGLU A 4 14.829 -35.924 2.307 0.50 16.29 C +ATOM 30 CG BGLU A 4 15.059 -35.964 3.046 0.50 17.81 C +ATOM 31 CD AGLU A 4 13.545 -36.463 2.926 0.50 17.82 C +ATOM 32 CD BGLU A 4 13.961 -36.323 4.043 0.50 17.88 C +ATOM 33 OE1AGLU A 4 13.499 -36.683 4.165 0.50 23.44 O +ATOM 34 OE1BGLU A 4 12.827 -35.803 3.896 0.50 21.79 O +ATOM 35 OE2AGLU A 4 12.565 -36.633 2.182 0.50 24.48 O +ATOM 36 OE2BGLU A 4 14.220 -37.121 4.969 0.50 23.45 O +ATOM 37 N VAL A 5 16.147 -31.580 1.550 1.00 12.20 N +ATOM 38 CA VAL A 5 16.094 -30.130 1.673 1.00 12.15 C +ATOM 39 C VAL A 5 14.823 -29.666 1.012 1.00 12.16 C +ATOM 40 O VAL A 5 14.574 -30.007 -0.142 1.00 13.82 O +ATOM 41 CB VAL A 5 17.330 -29.472 1.045 1.00 12.41 C +ATOM 42 CG1 VAL A 5 17.335 -27.972 1.327 1.00 13.24 C +ATOM 43 CG2 VAL A 5 18.615 -30.126 1.567 1.00 12.97 C +ATOM 44 N PHE A 6 14.036 -28.851 1.700 1.00 12.52 N +ATOM 45 CA PHE A 6 12.782 -28.425 1.109 1.00 12.56 C +ATOM 46 C PHE A 6 12.376 -27.037 1.533 1.00 12.06 C +ATOM 47 O PHE A 6 12.639 -26.600 2.654 1.00 11.75 O +ATOM 48 CB PHE A 6 11.688 -29.455 1.363 1.00 14.22 C +ATOM 49 CG PHE A 6 11.431 -29.758 2.815 1.00 13.18 C +ATOM 50 CD1 PHE A 6 12.107 -30.779 3.454 1.00 14.62 C +ATOM 51 CD2 PHE A 6 10.442 -29.089 3.509 1.00 15.59 C +ATOM 52 CE1 PHE A 6 11.856 -31.076 4.758 1.00 15.36 C +ATOM 53 CE2 PHE A 6 10.171 -29.421 4.833 1.00 17.17 C +ATOM 54 CZ PHE A 6 10.878 -30.418 5.435 1.00 17.17 C +ATOM 55 N PRO A 7 11.712 -26.323 0.625 1.00 12.91 N +ATOM 56 CA PRO A 7 11.295 -24.976 0.918 1.00 12.66 C +ATOM 57 C PRO A 7 10.058 -24.955 1.799 1.00 13.00 C +ATOM 58 O PRO A 7 9.233 -25.877 1.746 1.00 14.12 O +ATOM 59 CB PRO A 7 10.952 -24.418 -0.472 1.00 13.85 C +ATOM 60 CG PRO A 7 10.442 -25.637 -1.241 1.00 14.93 C +ATOM 61 CD PRO A 7 11.326 -26.758 -0.745 1.00 13.31 C +ATOM 62 N VAL A 8 9.922 -23.915 2.620 1.00 12.12 N +ATOM 63 CA VAL A 8 8.700 -23.668 3.343 1.00 12.74 C +ATOM 64 C VAL A 8 7.889 -22.725 2.481 1.00 13.01 C +ATOM 65 O VAL A 8 8.258 -21.579 2.266 1.00 12.82 O +ATOM 66 CB VAL A 8 8.936 -23.063 4.727 1.00 12.27 C +ATOM 67 CG1 VAL A 8 7.616 -22.905 5.468 1.00 14.75 C +ATOM 68 CG2 VAL A 8 9.889 -23.932 5.515 1.00 13.19 C +ATOM 69 N AGLU A 9 6.723 -23.237 2.077 0.50 13.69 N +ATOM 70 N BGLU A 9 6.769 -23.211 1.968 0.50 14.26 N +ATOM 71 CA AGLU A 9 5.866 -22.621 1.073 0.50 14.36 C +ATOM 72 CA BGLU A 9 6.000 -22.430 1.018 0.50 15.30 C +ATOM 73 C AGLU A 9 4.706 -21.841 1.696 0.50 13.71 C +ATOM 74 C BGLU A 9 4.722 -21.876 1.625 0.50 14.36 C +ATOM 75 O AGLU A 9 4.259 -22.122 2.809 0.50 13.29 O +ATOM 76 O BGLU A 9 4.208 -22.357 2.638 0.50 14.64 O +ATOM 77 CB AGLU A 9 5.311 -23.696 0.106 0.50 14.63 C +ATOM 78 CB BGLU A 9 5.690 -23.258 -0.231 0.50 15.65 C +ATOM 79 CG AGLU A 9 6.412 -24.504 -0.596 0.50 14.92 C +ATOM 80 CG BGLU A 9 6.959 -23.696 -0.983 0.50 17.43 C +ATOM 81 CD AGLU A 9 6.115 -24.959 -2.029 0.50 17.72 C +ATOM 82 CD BGLU A 9 6.797 -24.970 -1.778 0.50 19.53 C +ATOM 83 OE1AGLU A 9 5.553 -24.201 -2.832 0.50 23.90 O +ATOM 84 OE1BGLU A 9 6.115 -25.909 -1.301 0.50 23.72 O +ATOM 85 OE2AGLU A 9 6.543 -26.071 -2.362 0.50 21.31 O +ATOM 86 OE2BGLU A 9 7.379 -25.028 -2.884 0.50 24.34 O +ATOM 87 N GLY A 10 4.242 -20.819 0.985 1.00 13.73 N +ATOM 88 CA GLY A 10 2.968 -20.195 1.332 1.00 13.72 C +ATOM 89 C GLY A 10 3.011 -19.170 2.428 1.00 13.51 C +ATOM 90 O GLY A 10 1.957 -18.704 2.870 1.00 14.57 O +ATOM 91 N LEU A 11 4.206 -18.789 2.881 1.00 12.83 N +ATOM 92 CA LEU A 11 4.314 -17.783 3.939 1.00 12.62 C +ATOM 93 C LEU A 11 3.835 -16.424 3.439 1.00 13.15 C +ATOM 94 O LEU A 11 4.063 -16.068 2.275 1.00 13.69 O +ATOM 95 CB LEU A 11 5.732 -17.698 4.508 1.00 12.64 C +ATOM 96 CG LEU A 11 6.153 -18.911 5.349 1.00 12.75 C +ATOM 97 CD1 LEU A 11 7.683 -18.979 5.434 1.00 14.08 C +ATOM 98 CD2 LEU A 11 5.577 -18.817 6.739 1.00 13.26 C +ATOM 99 N PRO A 12 3.220 -15.636 4.331 1.00 13.24 N +ATOM 100 CA PRO A 12 2.779 -14.305 3.941 1.00 13.60 C +ATOM 101 C PRO A 12 3.918 -13.282 3.804 1.00 14.23 C +ATOM 102 O PRO A 12 5.068 -13.575 4.123 1.00 13.60 O +ATOM 103 CB PRO A 12 1.838 -13.907 5.096 1.00 15.45 C +ATOM 104 CG PRO A 12 2.406 -14.610 6.264 1.00 14.11 C +ATOM 105 CD PRO A 12 2.906 -15.933 5.744 1.00 13.32 C +ATOM 106 N LEU A 13 3.594 -12.092 3.329 1.00 14.15 N +ATOM 107 CA LEU A 13 4.455 -10.951 3.467 1.00 14.81 C +ATOM 108 C LEU A 13 4.578 -10.649 4.949 1.00 14.56 C +ATOM 109 O LEU A 13 3.578 -10.451 5.617 1.00 16.54 O +ATOM 110 CB LEU A 13 3.906 -9.755 2.681 1.00 15.56 C +ATOM 111 CG LEU A 13 3.892 -9.949 1.160 1.00 17.17 C +ATOM 112 CD1 LEU A 13 3.284 -8.719 0.494 1.00 20.95 C +ATOM 113 CD2 LEU A 13 5.279 -10.239 0.593 1.00 20.23 C +ATOM 114 N ILE A 14 5.792 -10.650 5.464 1.00 14.27 N +ATOM 115 CA ILE A 14 6.047 -10.563 6.887 1.00 14.14 C +ATOM 116 C ILE A 14 6.025 -9.107 7.333 1.00 15.19 C +ATOM 117 O ILE A 14 6.514 -8.216 6.639 1.00 15.91 O +ATOM 118 CB ILE A 14 7.374 -11.232 7.230 1.00 12.44 C +ATOM 119 CG1 ILE A 14 7.348 -12.721 6.859 1.00 12.87 C +ATOM 120 CG2 ILE A 14 7.759 -10.989 8.695 1.00 14.25 C +ATOM 121 CD1 ILE A 14 6.240 -13.546 7.505 1.00 14.12 C +ATOM 122 N LYS A 15 5.440 -8.902 8.509 1.00 17.45 N +ATOM 123 CA LYS A 15 5.226 -7.583 9.115 1.00 18.90 C +ATOM 124 C LYS A 15 5.840 -7.564 10.515 1.00 17.45 C +ATOM 125 O LYS A 15 6.040 -8.604 11.130 1.00 16.47 O +ATOM 126 CB LYS A 15 3.710 -7.278 9.284 1.00 20.36 C +ATOM 127 CG LYS A 15 2.887 -7.251 8.045 1.00 22.88 C +ATOM 128 CD LYS A 15 1.498 -6.720 8.346 1.00 24.14 C +ATOM 129 CE LYS A 15 0.666 -7.688 9.128 1.00 27.70 C +ATOM 130 NZ LYS A 15 0.189 -8.735 8.199 1.00 29.76 N +ATOM 131 N GLU A 16 6.085 -6.361 11.030 1.00 17.09 N +ATOM 132 CA GLU A 16 6.583 -6.229 12.388 1.00 17.32 C +ATOM 133 C GLU A 16 5.678 -6.977 13.391 1.00 16.56 C +ATOM 134 O GLU A 16 4.430 -6.821 13.360 1.00 17.66 O +ATOM 135 CB GLU A 16 6.729 -4.760 12.774 1.00 17.77 C +ATOM 136 CG GLU A 16 7.388 -4.571 14.120 1.00 18.94 C +ATOM 137 CD GLU A 16 7.640 -3.111 14.474 1.00 20.42 C +ATOM 138 OE1 GLU A 16 7.279 -2.242 13.683 1.00 24.62 O +ATOM 139 OE2 GLU A 16 8.249 -2.846 15.529 1.00 25.11 O +ATOM 140 N GLY A 17 6.292 -7.767 14.266 1.00 17.33 N +ATOM 141 CA GLY A 17 5.548 -8.499 15.280 1.00 17.45 C +ATOM 142 C GLY A 17 5.064 -9.876 14.899 1.00 17.93 C +ATOM 143 O GLY A 17 4.562 -10.603 15.755 1.00 19.06 O +ATOM 144 N ASP A 18 5.240 -10.289 13.637 1.00 16.78 N +ATOM 145 CA ASP A 18 4.863 -11.644 13.278 1.00 17.50 C +ATOM 146 C ASP A 18 5.689 -12.679 14.044 1.00 17.10 C +ATOM 147 O ASP A 18 6.866 -12.454 14.345 1.00 17.91 O +ATOM 148 CB ASP A 18 5.014 -11.870 11.771 1.00 17.49 C +ATOM 149 CG ASP A 18 3.969 -11.134 10.931 1.00 19.07 C +ATOM 150 OD1 ASP A 18 2.962 -10.612 11.475 1.00 23.00 O +ATOM 151 OD2 ASP A 18 4.155 -11.051 9.690 1.00 20.57 O +ATOM 152 N AASP A 19 5.080 -13.804 14.464 0.50 16.85 N +ATOM 153 N BASP A 19 5.077 -13.839 14.205 0.50 17.72 N +ATOM 154 CA AASP A 19 5.811 -14.917 15.100 0.50 16.57 C +ATOM 155 CA BASP A 19 5.624 -14.912 14.964 0.50 17.67 C +ATOM 156 C AASP A 19 6.134 -15.860 13.953 0.50 15.80 C +ATOM 157 C BASP A 19 6.146 -15.961 13.978 0.50 16.38 C +ATOM 158 O AASP A 19 5.275 -16.591 13.448 0.50 15.00 O +ATOM 159 O BASP A 19 5.450 -16.914 13.626 0.50 15.11 O +ATOM 160 CB AASP A 19 4.988 -15.632 16.207 0.50 16.31 C +ATOM 161 CB BASP A 19 4.514 -15.432 15.882 0.50 18.94 C +ATOM 162 CG AASP A 19 5.769 -16.713 16.975 0.50 16.76 C +ATOM 163 CG BASP A 19 3.970 -14.335 16.771 0.50 20.65 C +ATOM 164 OD1AASP A 19 6.684 -17.373 16.433 0.50 14.93 O +ATOM 165 OD1BASP A 19 4.784 -13.769 17.521 0.50 23.32 O +ATOM 166 OD2AASP A 19 5.432 -16.924 18.179 0.50 17.57 O +ATOM 167 OD2BASP A 19 2.760 -14.008 16.717 0.50 23.96 O +ATOM 168 N LEU A 20 7.363 -15.756 13.485 1.00 15.34 N +ATOM 169 CA LEU A 20 7.871 -16.609 12.449 1.00 14.51 C +ATOM 170 C LEU A 20 7.884 -18.087 12.842 1.00 13.72 C +ATOM 171 O LEU A 20 7.646 -18.965 12.007 1.00 12.90 O +ATOM 172 CB LEU A 20 9.274 -16.183 12.035 1.00 13.87 C +ATOM 173 CG LEU A 20 9.337 -14.852 11.273 1.00 14.94 C +ATOM 174 CD1 LEU A 20 10.778 -14.402 11.180 1.00 15.74 C +ATOM 175 CD2 LEU A 20 8.718 -14.947 9.897 1.00 18.65 C +ATOM 176 N ALA A 21 8.129 -18.376 14.129 1.00 15.43 N +ATOM 177 CA ALA A 21 8.126 -19.750 14.598 1.00 15.08 C +ATOM 178 C ALA A 21 6.786 -20.420 14.365 1.00 14.49 C +ATOM 179 O ALA A 21 6.735 -21.559 13.901 1.00 14.23 O +ATOM 180 CB ALA A 21 8.448 -19.782 16.089 1.00 16.93 C +ATOM 181 N AGLU A 22 5.702 -19.727 14.688 0.50 14.88 N +ATOM 182 N BGLU A 22 5.700 -19.734 14.721 0.50 14.59 N +ATOM 183 CA AGLU A 22 4.369 -20.292 14.515 0.50 14.97 C +ATOM 184 CA BGLU A 22 4.346 -20.255 14.502 0.50 14.47 C +ATOM 185 C AGLU A 22 4.019 -20.394 13.041 0.50 14.00 C +ATOM 186 C BGLU A 22 4.078 -20.419 13.033 0.50 13.65 C +ATOM 187 O AGLU A 22 3.446 -21.373 12.596 0.50 14.30 O +ATOM 188 O BGLU A 22 3.630 -21.463 12.585 0.50 13.71 O +ATOM 189 CB AGLU A 22 3.310 -19.451 15.223 0.50 16.62 C +ATOM 190 CB BGLU A 22 3.265 -19.327 15.075 0.50 15.77 C +ATOM 191 CG AGLU A 22 3.591 -19.269 16.701 0.50 17.10 C +ATOM 192 CG BGLU A 22 2.910 -19.660 16.513 0.50 15.64 C +ATOM 193 CD AGLU A 22 2.390 -18.838 17.446 0.50 19.49 C +ATOM 194 CD BGLU A 22 2.887 -18.455 17.403 0.50 19.39 C +ATOM 195 OE1AGLU A 22 1.547 -18.166 16.851 0.50 20.40 O +ATOM 196 OE1BGLU A 22 2.259 -17.471 16.983 0.50 17.57 O +ATOM 197 OE2AGLU A 22 2.322 -19.147 18.647 0.50 17.05 O +ATOM 198 OE2BGLU A 22 3.460 -18.504 18.529 0.50 19.64 O +ATOM 199 N LEU A 23 4.357 -19.366 12.275 1.00 12.90 N +ATOM 200 CA LEU A 23 4.071 -19.388 10.857 1.00 12.96 C +ATOM 201 C LEU A 23 4.768 -20.565 10.167 1.00 12.30 C +ATOM 202 O LEU A 23 4.179 -21.229 9.309 1.00 13.43 O +ATOM 203 CB LEU A 23 4.445 -18.074 10.195 1.00 12.32 C +ATOM 204 CG LEU A 23 3.650 -16.832 10.590 1.00 12.93 C +ATOM 205 CD1 LEU A 23 4.276 -15.562 10.067 1.00 14.50 C +ATOM 206 CD2 LEU A 23 2.200 -16.950 10.111 1.00 16.46 C +ATOM 207 N ILE A 24 6.035 -20.785 10.496 1.00 11.73 N +ATOM 208 CA ILE A 24 6.821 -21.849 9.891 1.00 11.98 C +ATOM 209 C ILE A 24 6.449 -23.229 10.415 1.00 12.66 C +ATOM 210 O ILE A 24 6.220 -24.149 9.644 1.00 12.88 O +ATOM 211 CB ILE A 24 8.344 -21.570 10.046 1.00 12.29 C +ATOM 212 CG1 ILE A 24 8.738 -20.292 9.280 1.00 12.13 C +ATOM 213 CG2 ILE A 24 9.140 -22.796 9.585 1.00 13.90 C +ATOM 214 CD1 ILE A 24 10.132 -19.771 9.594 1.00 13.65 C +ATOM 215 N ASER A 25 6.332 -23.375 11.731 0.50 12.23 N +ATOM 216 N BSER A 25 6.368 -23.364 11.741 0.50 12.50 N +ATOM 217 CA ASER A 25 6.092 -24.695 12.302 0.50 13.18 C +ATOM 218 CA BSER A 25 6.074 -24.658 12.352 0.50 13.60 C +ATOM 219 C ASER A 25 4.673 -25.202 12.021 0.50 13.49 C +ATOM 220 C BSER A 25 4.746 -25.198 11.826 0.50 13.29 C +ATOM 221 O ASER A 25 4.385 -26.381 12.186 0.50 14.58 O +ATOM 222 O BSER A 25 4.615 -26.393 11.559 0.50 13.24 O +ATOM 223 CB ASER A 25 6.380 -24.665 13.798 0.50 13.40 C +ATOM 224 CB BSER A 25 6.038 -24.536 13.880 0.50 14.41 C +ATOM 225 OG ASER A 25 5.377 -23.951 14.511 0.50 14.87 O +ATOM 226 OG BSER A 25 7.289 -24.125 14.428 0.50 17.31 O +ATOM 227 N SER A 26 3.773 -24.309 11.626 1.00 12.98 N +ATOM 228 CA SER A 26 2.448 -24.730 11.196 1.00 13.97 C +ATOM 229 C SER A 26 2.451 -25.337 9.778 1.00 14.24 C +ATOM 230 O SER A 26 1.501 -26.011 9.385 1.00 16.40 O +ATOM 231 CB SER A 26 1.497 -23.565 11.274 1.00 14.15 C +ATOM 232 OG SER A 26 1.706 -22.615 10.282 1.00 16.03 O +ATOM 233 N ARG A 27 3.508 -25.097 9.021 1.00 13.94 N +ATOM 234 CA ARG A 27 3.628 -25.543 7.638 1.00 13.88 C +ATOM 235 C ARG A 27 4.526 -26.742 7.458 1.00 15.26 C +ATOM 236 O ARG A 27 4.600 -27.281 6.362 1.00 18.03 O +ATOM 237 CB ARG A 27 4.143 -24.406 6.787 1.00 13.54 C +ATOM 238 CG ARG A 27 3.140 -23.288 6.582 1.00 13.74 C +ATOM 239 CD ARG A 27 3.819 -22.021 6.015 1.00 13.64 C +ATOM 240 NE ARG A 27 2.802 -21.127 5.466 1.00 14.00 N +ATOM 241 CZ ARG A 27 2.031 -20.316 6.188 1.00 13.65 C +ATOM 242 NH1 ARG A 27 1.072 -19.660 5.576 1.00 13.77 N +ATOM 243 NH2 ARG A 27 2.202 -20.152 7.495 1.00 13.56 N +ATOM 244 N VAL A 28 5.229 -27.140 8.505 1.00 15.53 N +ATOM 245 CA VAL A 28 6.105 -28.301 8.408 1.00 17.23 C +ATOM 246 C VAL A 28 5.838 -29.208 9.604 1.00 17.84 C +ATOM 247 O VAL A 28 5.029 -28.893 10.464 1.00 21.21 O +ATOM 248 CB VAL A 28 7.585 -27.896 8.312 1.00 18.10 C +ATOM 249 CG1 VAL A 28 7.831 -26.971 7.131 1.00 20.09 C +ATOM 250 CG2 VAL A 28 7.997 -27.218 9.534 1.00 17.70 C +ATOM 251 N ARG A 29 6.411 -30.387 9.606 1.00 16.24 N +ATOM 252 CA ARG A 29 6.406 -31.232 10.782 1.00 16.93 C +ATOM 253 C ARG A 29 7.847 -31.421 11.181 1.00 15.76 C +ATOM 254 O ARG A 29 8.533 -32.276 10.691 1.00 16.38 O +ATOM 255 CB ARG A 29 5.739 -32.580 10.467 1.00 17.91 C +ATOM 256 CG ARG A 29 4.204 -32.482 10.356 1.00 22.95 C +ATOM 257 CD ARG A 29 3.517 -32.155 11.693 1.00 26.81 C +ATOM 258 NE ARG A 29 3.406 -30.715 11.928 0.30 26.99 N +ATOM 259 CZ ARG A 29 2.523 -29.905 11.344 0.30 27.43 C +ATOM 260 NH1 ARG A 29 2.532 -28.609 11.636 0.30 26.37 N +ATOM 261 NH2 ARG A 29 1.643 -30.370 10.462 0.30 28.16 N +ATOM 262 N PHE A 30 8.322 -30.579 12.076 1.00 14.14 N +ATOM 263 CA PHE A 30 9.710 -30.642 12.475 1.00 14.70 C +ATOM 264 C PHE A 30 10.061 -31.957 13.151 1.00 15.40 C +ATOM 265 O PHE A 30 9.242 -32.579 13.826 1.00 16.66 O +ATOM 266 CB PHE A 30 10.038 -29.494 13.426 1.00 13.20 C +ATOM 267 CG PHE A 30 10.297 -28.183 12.720 1.00 12.13 C +ATOM 268 CD1 PHE A 30 11.352 -28.065 11.837 1.00 13.21 C +ATOM 269 CD2 PHE A 30 9.519 -27.068 12.957 1.00 13.17 C +ATOM 270 CE1 PHE A 30 11.579 -26.880 11.189 1.00 12.31 C +ATOM 271 CE2 PHE A 30 9.776 -25.873 12.326 1.00 13.65 C +ATOM 272 CZ PHE A 30 10.802 -25.781 11.441 1.00 13.21 C +ATOM 273 N GLU A 31 11.318 -32.332 12.988 1.00 15.97 N +ATOM 274 CA GLU A 31 11.931 -33.475 13.626 1.00 16.80 C +ATOM 275 C GLU A 31 13.178 -33.015 14.378 1.00 16.14 C +ATOM 276 O GLU A 31 13.860 -32.056 13.953 1.00 15.76 O +ATOM 277 CB GLU A 31 12.314 -34.506 12.563 1.00 17.70 C +ATOM 278 CG GLU A 31 11.131 -35.022 11.770 1.00 20.02 C +ATOM 279 CD GLU A 31 11.490 -36.065 10.706 1.00 21.76 C +ATOM 280 OE1 GLU A 31 12.590 -36.673 10.770 1.00 26.38 O +ATOM 281 OE2 GLU A 31 10.643 -36.278 9.809 1.00 25.50 O +ATOM 282 N ASP A 32 13.514 -33.685 15.476 1.00 15.49 N +ATOM 283 CA ASP A 32 14.763 -33.433 16.171 1.00 15.62 C +ATOM 284 C ASP A 32 15.923 -33.535 15.185 1.00 14.92 C +ATOM 285 O ASP A 32 15.997 -34.450 14.384 1.00 14.99 O +ATOM 286 CB ASP A 32 14.988 -34.457 17.275 1.00 15.66 C +ATOM 287 CG ASP A 32 14.128 -34.226 18.512 1.00 17.52 C +ATOM 288 OD1 ASP A 32 13.908 -33.068 18.910 1.00 18.74 O +ATOM 289 OD2 ASP A 32 13.728 -35.233 19.136 1.00 19.93 O +ATOM 290 N GLY A 33 16.817 -32.559 15.230 1.00 13.34 N +ATOM 291 CA GLY A 33 17.964 -32.572 14.340 1.00 12.92 C +ATOM 292 C GLY A 33 17.757 -31.910 12.993 1.00 12.70 C +ATOM 293 O GLY A 33 18.714 -31.788 12.232 1.00 12.83 O +ATOM 294 N ASP A 34 16.545 -31.464 12.693 1.00 11.91 N +ATOM 295 CA ASP A 34 16.347 -30.630 11.493 1.00 11.69 C +ATOM 296 C ASP A 34 17.161 -29.344 11.652 1.00 11.17 C +ATOM 297 O ASP A 34 17.442 -28.924 12.769 1.00 12.03 O +ATOM 298 CB ASP A 34 14.884 -30.234 11.311 1.00 11.66 C +ATOM 299 CG ASP A 34 14.010 -31.352 10.800 1.00 12.83 C +ATOM 300 OD1 ASP A 34 14.506 -32.387 10.304 1.00 15.09 O +ATOM 301 OD2 ASP A 34 12.766 -31.124 10.830 1.00 14.28 O +ATOM 302 N VAL A 35 17.470 -28.705 10.529 1.00 10.36 N +ATOM 303 CA VAL A 35 18.014 -27.369 10.545 1.00 10.34 C +ATOM 304 C VAL A 35 17.053 -26.487 9.754 1.00 10.22 C +ATOM 305 O VAL A 35 16.771 -26.770 8.594 1.00 11.09 O +ATOM 306 CB VAL A 35 19.442 -27.316 9.960 1.00 11.25 C +ATOM 307 CG1 VAL A 35 19.939 -25.881 9.984 1.00 12.02 C +ATOM 308 CG2 VAL A 35 20.383 -28.234 10.721 1.00 12.61 C +ATOM 309 N LEU A 36 16.577 -25.419 10.393 1.00 10.04 N +ATOM 310 CA LEU A 36 15.714 -24.429 9.768 1.00 9.96 C +ATOM 311 C LEU A 36 16.603 -23.247 9.355 1.00 9.88 C +ATOM 312 O LEU A 36 17.336 -22.701 10.171 1.00 10.35 O +ATOM 313 CB LEU A 36 14.650 -23.938 10.742 1.00 10.42 C +ATOM 314 CG LEU A 36 13.784 -22.786 10.231 1.00 10.66 C +ATOM 315 CD1 LEU A 36 12.965 -23.190 9.017 1.00 12.58 C +ATOM 316 CD2 LEU A 36 12.899 -22.226 11.347 1.00 12.79 C +ATOM 317 N VAL A 37 16.519 -22.864 8.087 1.00 9.51 N +ATOM 318 CA VAL A 37 17.287 -21.769 7.557 1.00 9.62 C +ATOM 319 C VAL A 37 16.322 -20.678 7.134 1.00 9.14 C +ATOM 320 O VAL A 37 15.378 -20.945 6.388 1.00 10.14 O +ATOM 321 CB VAL A 37 18.181 -22.210 6.355 1.00 9.76 C +ATOM 322 CG1 VAL A 37 19.120 -21.075 5.980 1.00 11.83 C +ATOM 323 CG2 VAL A 37 18.908 -23.487 6.700 1.00 11.07 C +ATOM 324 N VAL A 38 16.531 -19.455 7.614 1.00 9.07 N +ATOM 325 CA VAL A 38 15.602 -18.342 7.413 1.00 9.15 C +ATOM 326 C VAL A 38 16.365 -17.136 6.900 1.00 8.95 C +ATOM 327 O VAL A 38 17.426 -16.807 7.411 1.00 9.23 O +ATOM 328 CB VAL A 38 14.851 -17.987 8.711 1.00 9.95 C +ATOM 329 CG1 VAL A 38 13.899 -16.844 8.476 1.00 11.37 C +ATOM 330 CG2 VAL A 38 14.150 -19.199 9.288 1.00 11.76 C +ATOM 331 N CYS A 39 15.841 -16.482 5.873 1.00 9.51 N +ATOM 332 CA CYS A 39 16.517 -15.291 5.364 1.00 9.33 C +ATOM 333 C CYS A 39 16.420 -14.131 6.347 1.00 9.19 C +ATOM 334 O CYS A 39 15.379 -13.896 6.955 1.00 10.10 O +ATOM 335 CB CYS A 39 15.999 -14.891 4.004 1.00 10.30 C +ATOM 336 SG CYS A 39 14.335 -14.195 4.046 1.00 12.01 S +ATOM 337 N SER A 40 17.500 -13.378 6.437 1.00 9.15 N +ATOM 338 CA SER A 40 17.539 -12.203 7.290 1.00 9.09 C +ATOM 339 C SER A 40 16.477 -11.193 6.950 1.00 9.89 C +ATOM 340 O SER A 40 16.016 -10.500 7.833 1.00 10.38 O +ATOM 341 CB SER A 40 18.922 -11.551 7.270 1.00 11.11 C +ATOM 342 OG SER A 40 19.222 -10.914 6.044 1.00 12.38 O +ATOM 343 N THR A 41 16.083 -11.109 5.687 1.00 10.35 N +ATOM 344 CA THR A 41 15.054 -10.137 5.317 1.00 10.61 C +ATOM 345 C THR A 41 13.791 -10.294 6.152 1.00 10.11 C +ATOM 346 O THR A 41 13.260 -9.293 6.631 1.00 10.97 O +ATOM 347 CB THR A 41 14.789 -10.199 3.789 1.00 11.17 C +ATOM 348 OG1 THR A 41 15.895 -9.601 3.119 1.00 13.56 O +ATOM 349 CG2 THR A 41 13.484 -9.533 3.363 1.00 12.26 C +ATOM 350 N VAL A 42 13.316 -11.521 6.361 1.00 10.11 N +ATOM 351 CA VAL A 42 12.084 -11.689 7.151 1.00 10.19 C +ATOM 352 C VAL A 42 12.316 -11.487 8.653 1.00 10.31 C +ATOM 353 O VAL A 42 11.426 -11.069 9.353 1.00 11.24 O +ATOM 354 CB VAL A 42 11.316 -12.988 6.857 1.00 10.60 C +ATOM 355 CG1 VAL A 42 10.790 -12.972 5.409 1.00 11.86 C +ATOM 356 CG2 VAL A 42 12.066 -14.221 7.249 1.00 11.23 C +ATOM 357 N ILE A 43 13.526 -11.778 9.122 1.00 10.16 N +ATOM 358 CA ILE A 43 13.899 -11.484 10.502 1.00 10.14 C +ATOM 359 C ILE A 43 13.818 -9.972 10.713 1.00 10.60 C +ATOM 360 O ILE A 43 13.208 -9.482 11.674 1.00 11.21 O +ATOM 361 CB ILE A 43 15.310 -12.021 10.834 1.00 10.31 C +ATOM 362 CG1 ILE A 43 15.375 -13.541 10.614 1.00 10.49 C +ATOM 363 CG2 ILE A 43 15.705 -11.630 12.269 1.00 11.15 C +ATOM 364 CD1 ILE A 43 14.551 -14.367 11.605 1.00 13.35 C +ATOM 365 N SER A 44 14.472 -9.213 9.826 1.00 10.49 N +ATOM 366 CA SER A 44 14.430 -7.771 9.896 1.00 11.29 C +ATOM 367 C SER A 44 13.000 -7.226 9.838 1.00 11.02 C +ATOM 368 O SER A 44 12.664 -6.299 10.599 1.00 11.91 O +ATOM 369 CB SER A 44 15.274 -7.171 8.779 1.00 11.93 C +ATOM 370 OG SER A 44 16.651 -7.428 8.979 1.00 12.77 O +ATOM 371 N LYS A 45 12.166 -7.757 8.949 1.00 11.08 N +ATOM 372 CA LYS A 45 10.760 -7.328 8.883 1.00 11.73 C +ATOM 373 C LYS A 45 10.073 -7.573 10.227 1.00 11.88 C +ATOM 374 O LYS A 45 9.407 -6.695 10.770 1.00 13.21 O +ATOM 375 CB LYS A 45 10.035 -8.014 7.737 1.00 12.04 C +ATOM 376 CG LYS A 45 10.473 -7.529 6.358 1.00 12.81 C +ATOM 377 CD LYS A 45 9.899 -8.361 5.232 1.00 12.75 C +ATOM 378 CE LYS A 45 10.266 -7.806 3.883 1.00 13.00 C +ATOM 379 NZ LYS A 45 9.706 -8.566 2.744 1.00 15.32 N +ATOM 380 N ALA A 46 10.187 -8.784 10.735 1.00 12.03 N +ATOM 381 CA ALA A 46 9.494 -9.147 11.958 1.00 12.20 C +ATOM 382 C ALA A 46 9.968 -8.300 13.144 1.00 12.66 C +ATOM 383 O ALA A 46 9.197 -7.980 14.054 1.00 14.07 O +ATOM 384 CB ALA A 46 9.613 -10.665 12.260 1.00 13.23 C +ATOM 385 N GLU A 47 11.246 -7.927 13.149 1.00 12.54 N +ATOM 386 CA GLU A 47 11.852 -7.166 14.229 1.00 12.96 C +ATOM 387 C GLU A 47 11.744 -5.636 14.025 1.00 13.99 C +ATOM 388 O GLU A 47 12.327 -4.889 14.786 1.00 15.62 O +ATOM 389 CB GLU A 47 13.317 -7.608 14.419 1.00 13.00 C +ATOM 390 CG GLU A 47 13.389 -9.035 14.879 1.00 14.28 C +ATOM 391 CD GLU A 47 14.765 -9.557 15.129 1.00 13.68 C +ATOM 392 OE1 GLU A 47 15.780 -8.868 14.895 1.00 14.02 O +ATOM 393 OE2 GLU A 47 14.830 -10.722 15.565 1.00 15.10 O +ATOM 394 N GLY A 48 11.026 -5.177 12.998 1.00 13.15 N +ATOM 395 CA GLY A 48 10.758 -3.756 12.836 1.00 14.14 C +ATOM 396 C GLY A 48 11.942 -2.928 12.371 1.00 14.76 C +ATOM 397 O GLY A 48 12.094 -1.770 12.753 1.00 16.72 O +ATOM 398 N ARG A 49 12.765 -3.496 11.489 1.00 14.50 N +ATOM 399 CA ARG A 49 14.020 -2.854 11.061 1.00 15.01 C +ATOM 400 C ARG A 49 13.927 -2.126 9.705 1.00 16.13 C +ATOM 401 O ARG A 49 14.925 -1.848 9.062 1.00 18.32 O +ATOM 402 CB ARG A 49 15.148 -3.907 11.102 1.00 14.39 C +ATOM 403 CG ARG A 49 15.494 -4.342 12.512 1.00 14.90 C +ATOM 404 CD ARG A 49 16.320 -3.358 13.261 1.00 15.87 C +ATOM 405 NE ARG A 49 17.712 -3.393 12.828 1.00 15.61 N +ATOM 406 CZ ARG A 49 18.619 -2.441 13.005 1.00 15.71 C +ATOM 407 NH1 ARG A 49 18.295 -1.316 13.600 1.00 19.46 N +ATOM 408 NH2 ARG A 49 19.849 -2.595 12.558 1.00 17.07 N +ATOM 409 N ILE A 50 12.742 -1.765 9.284 1.00 17.30 N +ATOM 410 CA ILE A 50 12.573 -1.001 8.057 1.00 17.80 C +ATOM 411 C ILE A 50 12.712 0.493 8.375 1.00 17.95 C +ATOM 412 O ILE A 50 12.248 0.958 9.416 1.00 18.70 O +ATOM 413 CB ILE A 50 11.202 -1.242 7.414 1.00 18.19 C +ATOM 414 CG1 ILE A 50 11.049 -2.679 6.936 1.00 20.88 C +ATOM 415 CG2 ILE A 50 11.009 -0.341 6.207 1.00 20.74 C +ATOM 416 CD1 ILE A 50 9.653 -2.996 6.387 1.00 21.04 C +ATOM 417 N ARG A 51 13.420 1.213 7.505 1.00 16.65 N +ATOM 418 CA ARG A 51 13.554 2.686 7.580 1.00 17.86 C +ATOM 419 C ARG A 51 13.256 3.280 6.226 1.00 18.45 C +ATOM 420 O ARG A 51 13.527 2.674 5.203 1.00 19.81 O +ATOM 421 CB ARG A 51 14.982 3.069 7.980 1.00 17.95 C +ATOM 422 CG ARG A 51 15.442 2.505 9.304 1.00 20.80 C +ATOM 423 CD ARG A 51 14.992 3.283 10.510 1.00 23.33 C +ATOM 424 NE ARG A 51 15.415 4.689 10.426 1.00 25.08 N +ATOM 425 CZ ARG A 51 16.635 5.174 10.696 1.00 25.64 C +ATOM 426 NH1 ARG A 51 17.623 4.397 11.116 1.00 25.06 N +ATOM 427 NH2 ARG A 51 16.864 6.481 10.558 1.00 26.43 N +ATOM 428 N ARG A 52 12.700 4.494 6.202 1.00 19.58 N +ATOM 429 CA ARG A 52 12.488 5.199 4.935 1.00 20.11 C +ATOM 430 C ARG A 52 13.785 5.897 4.525 1.00 20.34 C +ATOM 431 O ARG A 52 14.438 6.514 5.345 1.00 20.02 O +ATOM 432 CB ARG A 52 11.355 6.234 5.046 1.00 21.33 C +ATOM 433 CG ARG A 52 10.004 5.631 5.401 1.00 24.59 C +ATOM 434 CD ARG A 52 9.419 4.792 4.290 1.00 28.94 C +ATOM 435 NE ARG A 52 9.021 5.592 3.143 1.00 30.26 N +ATOM 436 CZ ARG A 52 8.698 5.109 1.941 1.00 31.18 C +ATOM 437 NH1 ARG A 52 8.365 5.966 0.979 1.00 32.66 N +ATOM 438 NH2 ARG A 52 8.716 3.795 1.676 1.00 29.31 N +ATOM 439 N LEU A 53 14.127 5.807 3.240 1.00 20.87 N +ATOM 440 CA ALEU A 53 15.313 6.452 2.692 0.50 21.83 C +ATOM 441 CA BLEU A 53 15.324 6.446 2.712 0.50 21.79 C +ATOM 442 C LEU A 53 15.352 7.931 3.060 1.00 22.25 C +ATOM 443 O LEU A 53 16.397 8.484 3.385 1.00 22.15 O +ATOM 444 CB ALEU A 53 15.317 6.331 1.167 0.50 22.28 C +ATOM 445 CB BLEU A 53 15.406 6.284 1.189 0.50 22.23 C +ATOM 446 CG ALEU A 53 16.151 5.200 0.582 0.50 24.20 C +ATOM 447 CG BLEU A 53 16.319 5.167 0.688 0.50 23.87 C +ATOM 448 CD1ALEU A 53 15.612 4.831 -0.782 0.50 24.39 C +ATOM 449 CD1BLEU A 53 17.755 5.456 1.071 0.50 23.79 C +ATOM 450 CD2ALEU A 53 17.612 5.617 0.501 0.50 24.31 C +ATOM 451 CD2BLEU A 53 15.862 3.827 1.225 0.50 23.99 C +ATOM 452 N GLU A 54 14.199 8.581 2.973 1.00 22.27 N +ATOM 453 CA GLU A 54 14.149 10.035 3.211 1.00 24.43 C +ATOM 454 C GLU A 54 14.469 10.441 4.644 1.00 24.80 C +ATOM 455 O GLU A 54 14.698 11.630 4.897 1.00 27.34 O +ATOM 456 CB GLU A 54 12.798 10.619 2.804 1.00 24.97 C +ATOM 457 CG GLU A 54 11.610 10.057 3.557 1.00 25.08 C +ATOM 458 CD GLU A 54 10.277 10.500 2.969 0.20 25.06 C +ATOM 459 OE1 GLU A 54 10.262 11.400 2.099 0.20 25.82 O +ATOM 460 OE2 GLU A 54 9.242 9.942 3.381 0.20 25.92 O +ATOM 461 N GLU A 55 14.476 9.487 5.573 1.00 25.07 N +ATOM 462 CA GLU A 55 14.863 9.745 6.965 1.00 25.71 C +ATOM 463 C GLU A 55 16.325 10.148 7.124 1.00 24.87 C +ATOM 464 O GLU A 55 16.680 10.789 8.113 1.00 26.02 O +ATOM 465 CB GLU A 55 14.640 8.507 7.837 1.00 26.15 C +ATOM 466 CG GLU A 55 13.199 8.018 7.965 1.00 27.70 C +ATOM 467 CD GLU A 55 13.084 6.838 8.907 1.00 27.73 C +ATOM 468 OE1 GLU A 55 13.737 6.880 9.978 1.00 32.22 O +ATOM 469 OE2 GLU A 55 12.345 5.868 8.605 1.00 30.24 O +ATOM 470 N PHE A 56 17.182 9.758 6.184 1.00 22.67 N +ATOM 471 CA PHE A 56 18.621 9.892 6.393 1.00 22.04 C +ATOM 472 C PHE A 56 19.062 11.247 5.880 1.00 22.03 C +ATOM 473 O PHE A 56 18.646 11.657 4.797 1.00 23.13 O +ATOM 474 CB PHE A 56 19.355 8.730 5.726 1.00 21.68 C +ATOM 475 CG PHE A 56 19.016 7.393 6.352 1.00 20.56 C +ATOM 476 CD1 PHE A 56 19.673 6.968 7.489 1.00 19.89 C +ATOM 477 CD2 PHE A 56 17.949 6.640 5.884 1.00 20.16 C +ATOM 478 CE1 PHE A 56 19.347 5.750 8.100 1.00 21.65 C +ATOM 479 CE2 PHE A 56 17.605 5.436 6.493 1.00 19.99 C +ATOM 480 CZ PHE A 56 18.307 4.996 7.607 1.00 21.80 C +ATOM 481 N ASN A 57 19.886 11.943 6.670 1.00 21.59 N +ATOM 482 CA ASN A 57 20.459 13.228 6.253 1.00 20.70 C +ATOM 483 C ASN A 57 21.838 12.979 5.699 1.00 18.81 C +ATOM 484 O ASN A 57 22.731 12.652 6.454 1.00 18.95 O +ATOM 485 CB ASN A 57 20.573 14.221 7.419 1.00 21.54 C +ATOM 486 CG ASN A 57 21.129 15.570 6.968 1.00 22.57 C +ATOM 487 OD1 ASN A 57 20.625 16.148 5.999 1.00 26.90 O +ATOM 488 ND2 ASN A 57 22.185 16.056 7.624 1.00 23.40 N +ATOM 489 N PRO A 58 22.026 13.121 4.374 1.00 18.78 N +ATOM 490 CA PRO A 58 23.340 12.751 3.879 1.00 18.87 C +ATOM 491 C PRO A 58 24.452 13.694 4.305 1.00 18.19 C +ATOM 492 O PRO A 58 24.394 14.923 4.085 1.00 19.76 O +ATOM 493 CB PRO A 58 23.155 12.770 2.344 1.00 20.19 C +ATOM 494 CG PRO A 58 21.706 12.762 2.124 1.00 21.74 C +ATOM 495 CD PRO A 58 21.138 13.510 3.270 1.00 20.36 C +ATOM 496 N SER A 59 25.458 13.121 4.934 1.00 16.51 N +ATOM 497 CA SER A 59 26.705 13.841 5.189 1.00 16.66 C +ATOM 498 C SER A 59 27.457 14.093 3.887 1.00 16.89 C +ATOM 499 O SER A 59 27.185 13.483 2.856 1.00 17.36 O +ATOM 500 CB SER A 59 27.566 13.026 6.128 1.00 17.35 C +ATOM 501 OG SER A 59 27.948 11.807 5.506 1.00 17.38 O +ATOM 502 N GLU A 60 28.414 15.024 3.921 1.00 17.06 N +ATOM 503 CA GLU A 60 29.281 15.249 2.771 1.00 18.04 C +ATOM 504 C GLU A 60 30.041 13.996 2.361 1.00 18.45 C +ATOM 505 O GLU A 60 30.166 13.715 1.165 1.00 19.15 O +ATOM 506 CB GLU A 60 30.228 16.421 3.046 1.00 18.95 C +ATOM 507 CG GLU A 60 29.467 17.756 3.078 1.00 20.77 C +ATOM 508 CD GLU A 60 28.811 18.066 1.722 1.00 25.92 C +ATOM 509 OE1 GLU A 60 29.462 17.816 0.686 1.00 27.79 O +ATOM 510 OE2 GLU A 60 27.647 18.523 1.688 1.00 30.39 O +ATOM 511 N ARG A 61 30.526 13.231 3.329 1.00 18.67 N +ATOM 512 CA ARG A 61 31.157 11.939 3.028 1.00 20.42 C +ATOM 513 C ARG A 61 30.210 10.993 2.278 1.00 18.76 C +ATOM 514 O ARG A 61 30.611 10.343 1.308 1.00 18.67 O +ATOM 515 CB ARG A 61 31.610 11.253 4.299 1.00 20.78 C +ATOM 516 CG ARG A 61 32.398 9.996 4.053 1.00 23.58 C +ATOM 517 CD ARG A 61 32.844 9.353 5.322 1.00 26.38 C +ATOM 518 NE ARG A 61 33.866 8.345 5.056 1.00 30.71 N +ATOM 519 CZ ARG A 61 34.149 7.322 5.860 1.00 32.12 C +ATOM 520 NH1 ARG A 61 35.114 6.483 5.527 1.00 32.66 N +ATOM 521 NH2 ARG A 61 33.492 7.146 7.002 1.00 34.55 N +ATOM 522 N ALA A 62 28.960 10.903 2.725 1.00 17.73 N +ATOM 523 CA ALA A 62 27.974 10.075 2.061 1.00 17.84 C +ATOM 524 C ALA A 62 27.788 10.504 0.597 1.00 18.17 C +ATOM 525 O ALA A 62 27.747 9.663 -0.284 1.00 18.47 O +ATOM 526 CB ALA A 62 26.676 10.078 2.808 1.00 18.48 C +ATOM 527 N LYS A 63 27.711 11.817 0.352 1.00 18.80 N +ATOM 528 CA ALYS A 63 27.532 12.313 -0.997 0.50 19.94 C +ATOM 529 CA BLYS A 63 27.574 12.357 -1.006 0.50 19.47 C +ATOM 530 C LYS A 63 28.761 12.008 -1.868 1.00 19.47 C +ATOM 531 O LYS A 63 28.623 11.657 -3.037 1.00 21.70 O +ATOM 532 CB ALYS A 63 27.197 13.809 -0.959 0.50 20.13 C +ATOM 533 CB BLYS A 63 27.467 13.883 -0.988 0.50 19.66 C +ATOM 534 CG ALYS A 63 25.938 14.129 -0.117 0.50 21.02 C +ATOM 535 CG BLYS A 63 26.188 14.393 -0.401 0.50 20.45 C +ATOM 536 CD ALYS A 63 25.779 15.616 0.171 0.50 21.73 C +ATOM 537 CD BLYS A 63 26.127 15.909 -0.423 0.50 20.85 C +ATOM 538 CE ALYS A 63 25.370 16.339 -1.074 0.50 23.48 C +ATOM 539 CE BLYS A 63 24.896 16.367 0.300 0.50 23.51 C +ATOM 540 NZ ALYS A 63 26.520 16.488 -2.011 0.50 24.83 N +ATOM 541 NZ BLYS A 63 24.815 17.838 0.341 0.50 24.44 N +ATOM 542 N GLU A 64 29.949 12.134 -1.311 1.00 20.07 N +ATOM 543 CA AGLU A 64 31.175 11.813 -2.048 0.50 20.88 C +ATOM 544 CA BGLU A 64 31.184 11.804 -2.031 0.50 21.03 C +ATOM 545 C GLU A 64 31.199 10.338 -2.466 1.00 20.27 C +ATOM 546 O GLU A 64 31.538 9.992 -3.602 1.00 20.66 O +ATOM 547 CB AGLU A 64 32.397 12.132 -1.191 0.50 21.11 C +ATOM 548 CB BGLU A 64 32.384 12.121 -1.136 0.50 21.32 C +ATOM 549 CG AGLU A 64 33.718 12.114 -1.948 0.50 22.66 C +ATOM 550 CG BGLU A 64 33.662 11.340 -1.419 0.50 23.32 C +ATOM 551 CD AGLU A 64 34.916 11.974 -1.031 0.50 23.70 C +ATOM 552 CD BGLU A 64 34.834 11.878 -0.614 0.50 24.03 C +ATOM 553 OE1AGLU A 64 34.739 11.856 0.209 0.50 26.53 O +ATOM 554 OE1BGLU A 64 34.852 13.100 -0.326 0.50 27.66 O +ATOM 555 OE2AGLU A 64 36.042 11.973 -1.557 0.50 27.16 O +ATOM 556 OE2BGLU A 64 35.737 11.086 -0.267 0.50 27.49 O +ATOM 557 N ILE A 65 30.832 9.457 -1.544 1.00 19.45 N +ATOM 558 CA ILE A 65 30.815 8.036 -1.839 1.00 19.23 C +ATOM 559 C ILE A 65 29.714 7.679 -2.829 1.00 19.20 C +ATOM 560 O ILE A 65 29.953 6.926 -3.781 1.00 19.30 O +ATOM 561 CB ILE A 65 30.662 7.209 -0.534 1.00 18.58 C +ATOM 562 CG1 ILE A 65 31.911 7.378 0.330 1.00 19.36 C +ATOM 563 CG2 ILE A 65 30.410 5.732 -0.881 1.00 18.45 C +ATOM 564 CD1 ILE A 65 31.760 6.806 1.744 1.00 20.43 C +ATOM 565 N ALA A 66 28.518 8.229 -2.635 1.00 18.96 N +ATOM 566 CA ALA A 66 27.381 7.966 -3.521 1.00 20.13 C +ATOM 567 C ALA A 66 27.721 8.273 -4.988 1.00 20.20 C +ATOM 568 O ALA A 66 27.332 7.537 -5.893 1.00 20.31 O +ATOM 569 CB ALA A 66 26.172 8.787 -3.070 1.00 21.63 C +ATOM 570 N ALA A 67 28.454 9.347 -5.226 1.00 20.65 N +ATOM 571 CA ALA A 67 28.817 9.748 -6.599 1.00 22.00 C +ATOM 572 C ALA A 67 29.742 8.721 -7.276 1.00 23.23 C +ATOM 573 O ALA A 67 29.711 8.539 -8.497 1.00 23.67 O +ATOM 574 CB ALA A 67 29.491 11.132 -6.574 1.00 22.48 C +ATOM 575 N ARG A 68 30.572 8.043 -6.483 1.00 24.77 N +ATOM 576 CA ARG A 68 31.473 7.015 -7.000 1.00 26.73 C +ATOM 577 C ARG A 68 30.800 5.690 -7.323 1.00 27.37 C +ATOM 578 O ARG A 68 31.140 5.045 -8.326 1.00 28.87 O +ATOM 579 CB ARG A 68 32.557 6.716 -5.987 1.00 28.35 C +ATOM 580 CG ARG A 68 33.484 7.842 -5.756 1.00 31.04 C +ATOM 581 CD ARG A 68 34.654 7.313 -4.978 1.00 36.23 C +ATOM 582 NE ARG A 68 35.099 8.285 -3.998 1.00 38.23 N +ATOM 583 CZ ARG A 68 36.257 8.935 -4.035 1.00 40.03 C +ATOM 584 NH1 ARG A 68 37.138 8.735 -5.014 1.00 40.62 N +ATOM 585 NH2 ARG A 68 36.540 9.786 -3.061 1.00 40.19 N +ATOM 586 N ILE A 69 29.871 5.268 -6.470 1.00 26.41 N +ATOM 587 CA ILE A 69 29.232 3.961 -6.590 1.00 26.43 C +ATOM 588 C ILE A 69 27.874 4.019 -7.254 1.00 25.90 C +ATOM 589 O ILE A 69 27.223 2.997 -7.433 1.00 26.01 O +ATOM 590 CB ILE A 69 29.140 3.251 -5.224 1.00 26.43 C +ATOM 591 CG1 ILE A 69 28.115 3.931 -4.288 1.00 24.44 C +ATOM 592 CG2 ILE A 69 30.517 3.177 -4.600 1.00 27.51 C +ATOM 593 CD1 ILE A 69 27.823 3.131 -3.018 1.00 26.01 C +ATOM 594 N GLY A 70 27.434 5.225 -7.604 1.00 25.68 N +ATOM 595 CA GLY A 70 26.176 5.405 -8.302 1.00 25.19 C +ATOM 596 C GLY A 70 24.976 4.938 -7.516 1.00 24.64 C +ATOM 597 O GLY A 70 24.126 4.231 -8.043 1.00 24.80 O +ATOM 598 N LYS A 71 24.911 5.337 -6.241 1.00 24.13 N +ATOM 599 CA LYS A 71 23.777 5.052 -5.376 1.00 24.15 C +ATOM 600 C LYS A 71 23.299 6.386 -4.792 1.00 22.92 C +ATOM 601 O LYS A 71 24.032 7.375 -4.839 1.00 23.68 O +ATOM 602 CB LYS A 71 24.197 4.124 -4.229 1.00 25.40 C +ATOM 603 CG LYS A 71 24.478 2.674 -4.651 1.00 26.73 C +ATOM 604 CD LYS A 71 23.244 1.996 -5.215 1.00 28.60 C +ATOM 605 CE LYS A 71 23.436 0.495 -5.347 0.20 27.21 C +ATOM 606 NZ LYS A 71 24.621 0.161 -6.189 0.20 26.76 N +ATOM 607 N PRO A 72 22.082 6.412 -4.234 1.00 22.70 N +ATOM 608 CA PRO A 72 21.631 7.636 -3.572 1.00 22.00 C +ATOM 609 C PRO A 72 22.396 7.931 -2.299 1.00 21.05 C +ATOM 610 O PRO A 72 22.749 7.017 -1.543 1.00 19.98 O +ATOM 611 CB PRO A 72 20.187 7.330 -3.202 1.00 22.44 C +ATOM 612 CG PRO A 72 19.802 6.170 -4.064 1.00 23.75 C +ATOM 613 CD PRO A 72 21.048 5.369 -4.168 1.00 22.78 C +ATOM 614 N ALA A 73 22.640 9.206 -2.061 1.00 20.17 N +ATOM 615 CA ALA A 73 23.366 9.639 -0.866 1.00 19.56 C +ATOM 616 C ALA A 73 22.654 9.216 0.426 1.00 18.90 C +ATOM 617 O ALA A 73 23.307 8.879 1.407 1.00 17.99 O +ATOM 618 CB ALA A 73 23.603 11.147 -0.880 1.00 20.48 C +ATOM 619 N GLU A 74 21.324 9.167 0.416 1.00 19.49 N +ATOM 620 CA GLU A 74 20.561 8.784 1.602 1.00 19.50 C +ATOM 621 C GLU A 74 20.831 7.314 1.945 1.00 19.57 C +ATOM 622 O GLU A 74 20.905 6.943 3.106 1.00 18.18 O +ATOM 623 CB GLU A 74 19.051 8.994 1.417 1.00 20.15 C +ATOM 624 CG GLU A 74 18.611 10.476 1.400 1.00 23.01 C +ATOM 625 CD GLU A 74 18.951 11.222 0.099 1.00 27.48 C +ATOM 626 OE1 GLU A 74 19.269 10.584 -0.937 1.00 27.76 O +ATOM 627 OE2 GLU A 74 18.887 12.474 0.114 1.00 32.63 O +ATOM 628 N PHE A 75 20.986 6.489 0.906 1.00 18.82 N +ATOM 629 CA PHE A 75 21.306 5.078 1.099 1.00 18.94 C +ATOM 630 C PHE A 75 22.710 4.912 1.695 1.00 16.90 C +ATOM 631 O PHE A 75 22.909 4.175 2.682 1.00 16.84 O +ATOM 632 CB PHE A 75 21.191 4.319 -0.225 1.00 19.39 C +ATOM 633 CG PHE A 75 21.504 2.860 -0.105 1.00 20.33 C +ATOM 634 CD1 PHE A 75 20.539 1.962 0.309 1.00 20.93 C +ATOM 635 CD2 PHE A 75 22.774 2.403 -0.373 1.00 20.50 C +ATOM 636 CE1 PHE A 75 20.846 0.600 0.433 1.00 22.30 C +ATOM 637 CE2 PHE A 75 23.092 1.044 -0.265 1.00 21.51 C +ATOM 638 CZ PHE A 75 22.131 0.161 0.155 1.00 21.98 C +ATOM 639 N VAL A 76 23.686 5.583 1.098 1.00 16.51 N +ATOM 640 CA VAL A 76 25.040 5.560 1.616 1.00 15.59 C +ATOM 641 C VAL A 76 25.063 6.054 3.065 1.00 15.47 C +ATOM 642 O VAL A 76 25.756 5.451 3.885 1.00 14.69 O +ATOM 643 CB VAL A 76 25.986 6.381 0.738 1.00 16.08 C +ATOM 644 CG1 VAL A 76 27.384 6.477 1.360 1.00 16.96 C +ATOM 645 CG2 VAL A 76 26.067 5.761 -0.671 1.00 18.15 C +ATOM 646 N GLN A 77 24.320 7.111 3.403 1.00 14.85 N +ATOM 647 CA GLN A 77 24.273 7.573 4.790 1.00 15.10 C +ATOM 648 C GLN A 77 23.782 6.479 5.738 1.00 15.64 C +ATOM 649 O GLN A 77 24.351 6.287 6.812 1.00 16.89 O +ATOM 650 CB GLN A 77 23.366 8.787 4.914 1.00 14.93 C +ATOM 651 CG GLN A 77 23.309 9.403 6.303 1.00 16.06 C +ATOM 652 CD GLN A 77 24.653 9.957 6.754 1.00 15.00 C +ATOM 653 OE1 GLN A 77 25.478 10.378 5.938 1.00 16.66 O +ATOM 654 NE2 GLN A 77 24.889 9.930 8.068 1.00 17.92 N +ATOM 655 N ALA A 78 22.730 5.757 5.351 1.00 16.17 N +ATOM 656 CA ALA A 78 22.238 4.621 6.152 1.00 16.30 C +ATOM 657 C ALA A 78 23.350 3.589 6.376 1.00 15.42 C +ATOM 658 O ALA A 78 23.568 3.123 7.497 1.00 16.33 O +ATOM 659 CB ALA A 78 21.035 3.974 5.467 1.00 17.81 C +ATOM 660 N VAL A 79 24.067 3.263 5.310 1.00 15.30 N +ATOM 661 CA VAL A 79 25.190 2.344 5.410 1.00 15.34 C +ATOM 662 C VAL A 79 26.246 2.829 6.391 1.00 15.42 C +ATOM 663 O VAL A 79 26.688 2.097 7.260 1.00 16.36 O +ATOM 664 CB VAL A 79 25.831 2.047 4.035 1.00 14.79 C +ATOM 665 CG1 VAL A 79 27.049 1.191 4.205 1.00 15.28 C +ATOM 666 CG2 VAL A 79 24.822 1.431 3.070 1.00 15.89 C +ATOM 667 N LEU A 80 26.623 4.095 6.289 1.00 15.24 N +ATOM 668 CA LEU A 80 27.652 4.598 7.166 1.00 16.09 C +ATOM 669 C LEU A 80 27.222 4.566 8.620 1.00 16.68 C +ATOM 670 O LEU A 80 28.032 4.257 9.482 1.00 18.65 O +ATOM 671 CB LEU A 80 28.057 6.010 6.736 1.00 16.30 C +ATOM 672 CG LEU A 80 28.705 6.164 5.361 1.00 16.00 C +ATOM 673 CD1 LEU A 80 28.971 7.652 5.059 1.00 19.68 C +ATOM 674 CD2 LEU A 80 29.992 5.346 5.257 1.00 18.04 C +ATOM 675 N GLU A 81 25.950 4.878 8.876 1.00 17.38 N +ATOM 676 CA GLU A 81 25.392 4.822 10.234 1.00 19.04 C +ATOM 677 C GLU A 81 25.367 3.417 10.832 1.00 19.42 C +ATOM 678 O GLU A 81 25.398 3.275 12.068 1.00 20.94 O +ATOM 679 CB GLU A 81 23.997 5.448 10.273 1.00 17.95 C +ATOM 680 CG GLU A 81 24.042 6.959 10.065 1.00 18.85 C +ATOM 681 CD GLU A 81 22.701 7.635 9.997 1.00 20.67 C +ATOM 682 OE1 GLU A 81 21.672 7.000 10.287 1.00 22.56 O +ATOM 683 OE2 GLU A 81 22.664 8.832 9.627 1.00 21.13 O +ATOM 684 N GLU A 82 25.338 2.401 9.970 1.00 19.08 N +ATOM 685 CA GLU A 82 25.286 0.982 10.371 1.00 20.62 C +ATOM 686 C GLU A 82 26.650 0.315 10.306 1.00 21.05 C +ATOM 687 O GLU A 82 26.745 -0.904 10.459 1.00 22.13 O +ATOM 688 CB GLU A 82 24.306 0.247 9.458 1.00 21.19 C +ATOM 689 CG GLU A 82 23.683 -1.032 10.017 1.00 24.91 C +ATOM 690 CD GLU A 82 22.737 -0.769 11.155 1.00 27.82 C +ATOM 691 OE1 GLU A 82 22.190 0.362 11.262 1.00 29.08 O +ATOM 692 OE2 GLU A 82 22.547 -1.697 11.962 1.00 31.53 O +ATOM 693 N SER A 83 27.697 1.100 10.083 1.00 21.69 N +ATOM 694 CA SER A 83 29.054 0.593 9.853 1.00 23.35 C +ATOM 695 C SER A 83 29.981 1.015 10.970 1.00 24.93 C +ATOM 696 O SER A 83 29.821 2.092 11.530 1.00 25.21 O +ATOM 697 CB SER A 83 29.625 1.162 8.551 1.00 23.11 C +ATOM 698 OG SER A 83 28.925 0.676 7.444 1.00 22.75 O +ATOM 699 N GLU A 84 30.975 0.180 11.257 1.00 27.58 N +ATOM 700 CA GLU A 84 32.103 0.565 12.115 1.00 29.73 C +ATOM 701 C GLU A 84 33.245 1.184 11.324 1.00 30.11 C +ATOM 702 O GLU A 84 33.945 2.060 11.812 1.00 30.86 O +ATOM 703 CB GLU A 84 32.641 -0.644 12.884 1.00 30.25 C +ATOM 704 CG GLU A 84 31.611 -1.312 13.760 1.00 32.19 C +ATOM 705 CD GLU A 84 32.200 -2.276 14.777 1.00 33.06 C +ATOM 706 OE1 GLU A 84 33.196 -2.969 14.469 1.00 35.88 O +ATOM 707 OE2 GLU A 84 31.650 -2.330 15.897 1.00 37.66 O +ATOM 708 N GLU A 85 33.428 0.730 10.090 1.00 29.82 N +ATOM 709 CA GLU A 85 34.618 1.043 9.336 1.00 29.71 C +ATOM 710 C GLU A 85 34.351 0.865 7.836 1.00 28.23 C +ATOM 711 O GLU A 85 33.701 -0.095 7.446 1.00 27.60 O +ATOM 712 CB GLU A 85 35.703 0.087 9.828 1.00 30.64 C +ATOM 713 CG GLU A 85 36.969 0.077 9.075 1.00 32.22 C +ATOM 714 CD GLU A 85 38.093 -0.499 9.893 1.00 31.96 C +ATOM 715 OE1 GLU A 85 37.895 -1.518 10.596 1.00 34.17 O +ATOM 716 OE2 GLU A 85 39.177 0.084 9.826 1.00 35.89 O +ATOM 717 N VAL A 86 34.847 1.780 7.006 1.00 27.74 N +ATOM 718 CA VAL A 86 34.781 1.634 5.540 1.00 27.41 C +ATOM 719 C VAL A 86 36.082 1.000 5.036 1.00 27.12 C +ATOM 720 O VAL A 86 37.170 1.444 5.408 1.00 27.61 O +ATOM 721 CB VAL A 86 34.539 2.997 4.831 1.00 27.14 C +ATOM 722 CG1 VAL A 86 34.675 2.861 3.325 1.00 26.82 C +ATOM 723 CG2 VAL A 86 33.159 3.544 5.172 1.00 27.19 C +ATOM 724 N LEU A 87 35.958 -0.018 4.185 1.00 26.59 N +ATOM 725 CA LEU A 87 37.111 -0.757 3.642 1.00 26.49 C +ATOM 726 C LEU A 87 37.340 -0.455 2.163 1.00 26.55 C +ATOM 727 O LEU A 87 38.484 -0.373 1.707 1.00 27.03 O +ATOM 728 CB LEU A 87 36.903 -2.265 3.845 1.00 26.36 C +ATOM 729 CG LEU A 87 36.854 -2.710 5.311 1.00 27.48 C +ATOM 730 CD1 LEU A 87 36.583 -4.209 5.415 1.00 29.08 C +ATOM 731 CD2 LEU A 87 38.131 -2.337 6.046 1.00 29.47 C +ATOM 732 N LEU A 88 36.269 -0.307 1.406 1.00 26.20 N +ATOM 733 CA LEU A 88 36.329 0.098 0.005 1.00 26.80 C +ATOM 734 C LEU A 88 35.139 1.004 -0.264 1.00 26.72 C +ATOM 735 O LEU A 88 34.050 0.759 0.251 1.00 24.73 O +ATOM 736 CB LEU A 88 36.252 -1.119 -0.918 1.00 27.47 C +ATOM 737 CG LEU A 88 37.473 -2.047 -1.028 1.00 29.98 C +ATOM 738 CD1 LEU A 88 37.027 -3.494 -1.247 1.00 32.43 C +ATOM 739 CD2 LEU A 88 38.409 -1.606 -2.140 1.00 31.59 C +ATOM 740 N ASP A 89 35.345 2.062 -1.048 1.00 27.00 N +ATOM 741 CA ASP A 89 34.254 2.941 -1.483 1.00 27.83 C +ATOM 742 C ASP A 89 34.121 3.043 -3.010 1.00 27.72 C +ATOM 743 O ASP A 89 33.433 3.931 -3.524 1.00 29.39 O +ATOM 744 CB ASP A 89 34.370 4.333 -0.843 1.00 28.57 C +ATOM 745 CG ASP A 89 35.692 5.019 -1.136 1.00 30.68 C +ATOM 746 OD1 ASP A 89 36.359 4.644 -2.116 1.00 30.84 O +ATOM 747 OD2 ASP A 89 36.058 5.944 -0.368 1.00 35.34 O +ATOM 748 N PHE A 90 34.789 2.154 -3.739 1.00 27.14 N +ATOM 749 CA PHE A 90 34.578 2.029 -5.174 1.00 27.36 C +ATOM 750 C PHE A 90 35.016 0.637 -5.608 1.00 26.83 C +ATOM 751 O PHE A 90 36.026 0.157 -5.125 1.00 27.78 O +ATOM 752 CB PHE A 90 35.378 3.096 -5.960 1.00 27.68 C +ATOM 753 CG PHE A 90 35.186 3.007 -7.459 1.00 28.10 C +ATOM 754 CD1 PHE A 90 34.037 3.495 -8.048 1.00 27.52 C +ATOM 755 CD2 PHE A 90 36.135 2.396 -8.269 1.00 29.34 C +ATOM 756 CE1 PHE A 90 33.828 3.379 -9.402 1.00 27.57 C +ATOM 757 CE2 PHE A 90 35.933 2.287 -9.629 1.00 29.54 C +ATOM 758 CZ PHE A 90 34.785 2.779 -10.198 1.00 29.09 C +ATOM 759 N PRO A 91 34.262 -0.008 -6.510 1.00 26.21 N +ATOM 760 CA PRO A 91 32.998 0.398 -7.115 1.00 26.18 C +ATOM 761 C PRO A 91 31.785 0.067 -6.269 1.00 25.18 C +ATOM 762 O PRO A 91 30.651 0.266 -6.728 1.00 25.15 O +ATOM 763 CB PRO A 91 32.970 -0.409 -8.405 1.00 26.37 C +ATOM 764 CG PRO A 91 33.713 -1.650 -8.067 1.00 27.09 C +ATOM 765 CD PRO A 91 34.726 -1.305 -7.039 1.00 26.66 C +ATOM 766 N PHE A 92 32.033 -0.443 -5.058 1.00 24.36 N +ATOM 767 CA PHE A 92 30.977 -0.762 -4.091 1.00 23.15 C +ATOM 768 C PHE A 92 31.448 -0.373 -2.699 1.00 21.84 C +ATOM 769 O PHE A 92 32.624 -0.133 -2.468 1.00 21.92 O +ATOM 770 CB PHE A 92 30.619 -2.254 -4.138 1.00 24.18 C +ATOM 771 CG PHE A 92 31.807 -3.155 -4.053 1.00 23.93 C +ATOM 772 CD1 PHE A 92 32.361 -3.692 -5.205 1.00 24.27 C +ATOM 773 CD2 PHE A 92 32.407 -3.438 -2.833 1.00 26.64 C +ATOM 774 CE1 PHE A 92 33.475 -4.510 -5.139 1.00 26.30 C +ATOM 775 CE2 PHE A 92 33.532 -4.255 -2.756 1.00 27.01 C +ATOM 776 CZ PHE A 92 34.060 -4.795 -3.914 1.00 26.03 C +ATOM 777 N LEU A 93 30.508 -0.304 -1.768 1.00 20.42 N +ATOM 778 CA LEU A 93 30.786 0.153 -0.425 1.00 19.22 C +ATOM 779 C LEU A 93 30.889 -1.063 0.485 1.00 18.31 C +ATOM 780 O LEU A 93 29.890 -1.632 0.933 1.00 19.32 O +ATOM 781 CB LEU A 93 29.680 1.118 0.019 1.00 19.10 C +ATOM 782 CG LEU A 93 29.765 1.785 1.388 1.00 18.68 C +ATOM 783 CD1 LEU A 93 31.121 2.416 1.676 1.00 19.65 C +ATOM 784 CD2 LEU A 93 28.633 2.794 1.533 1.00 18.81 C +ATOM 785 N LEU A 94 32.121 -1.450 0.754 1.00 18.32 N +ATOM 786 CA LEU A 94 32.431 -2.591 1.591 1.00 18.78 C +ATOM 787 C LEU A 94 32.795 -2.069 2.957 1.00 18.53 C +ATOM 788 O LEU A 94 33.690 -1.219 3.090 1.00 19.41 O +ATOM 789 CB LEU A 94 33.620 -3.347 0.998 1.00 18.85 C +ATOM 790 CG LEU A 94 33.979 -4.677 1.657 1.00 20.07 C +ATOM 791 CD1 LEU A 94 32.900 -5.740 1.500 1.00 19.97 C +ATOM 792 CD2 LEU A 94 35.301 -5.186 1.107 1.00 21.10 C +ATOM 793 N VAL A 95 32.133 -2.580 3.981 1.00 18.97 N +ATOM 794 CA VAL A 95 32.292 -2.063 5.318 1.00 19.15 C +ATOM 795 C VAL A 95 32.387 -3.217 6.327 1.00 20.28 C +ATOM 796 O VAL A 95 31.996 -4.352 6.038 1.00 20.84 O +ATOM 797 CB VAL A 95 31.090 -1.142 5.692 1.00 19.01 C +ATOM 798 CG1 VAL A 95 30.956 -0.024 4.668 1.00 19.21 C +ATOM 799 CG2 VAL A 95 29.792 -1.924 5.817 1.00 18.99 C +ATOM 800 N LYS A 96 32.888 -2.910 7.504 1.00 22.82 N +ATOM 801 CA LYS A 96 32.696 -3.778 8.671 1.00 24.62 C +ATOM 802 C LYS A 96 31.421 -3.281 9.327 1.00 25.06 C +ATOM 803 O LYS A 96 31.416 -2.155 9.825 1.00 26.44 O +ATOM 804 CB LYS A 96 33.892 -3.667 9.627 1.00 25.85 C +ATOM 805 CG LYS A 96 33.662 -4.179 11.057 1.00 26.64 C +ATOM 806 CD LYS A 96 33.583 -5.679 11.167 1.00 27.91 C +ATOM 807 CE LYS A 96 33.519 -6.126 12.639 1.00 28.01 C +ATOM 808 NZ LYS A 96 33.741 -7.607 12.832 1.00 30.95 N +ATOM 809 N ALA A 97 30.352 -4.083 9.258 1.00 25.38 N +ATOM 810 CA ALA A 97 28.993 -3.717 9.759 1.00 25.43 C +ATOM 811 C ALA A 97 28.880 -3.887 11.246 1.00 26.54 C +ATOM 812 O ALA A 97 29.522 -4.763 11.820 1.00 26.73 O +ATOM 813 CB ALA A 97 27.909 -4.573 9.089 1.00 25.90 C +ATOM 814 N LYS A 98 28.027 -3.069 11.866 1.00 27.25 N +ATOM 815 CA LYS A 98 27.855 -3.098 13.320 1.00 27.91 C +ATOM 816 C LYS A 98 27.372 -4.449 13.853 1.00 27.39 C +ATOM 817 O LYS A 98 27.770 -4.850 14.941 1.00 26.83 O +ATOM 818 CB LYS A 98 26.935 -1.966 13.792 1.00 28.36 C +ATOM 819 CG LYS A 98 27.590 -0.596 13.738 1.00 28.62 C +ATOM 820 CD LYS A 98 26.704 0.500 14.310 1.00 29.82 C +ATOM 821 CE LYS A 98 27.267 1.880 14.076 1.00 29.97 C +ATOM 822 NZ LYS A 98 26.352 2.908 14.637 1.00 32.34 N +ATOM 823 N PHE A 99 26.568 -5.183 13.084 1.00 27.50 N +ATOM 824 CA PHE A 99 26.180 -6.544 13.503 1.00 27.16 C +ATOM 825 C PHE A 99 27.310 -7.588 13.383 1.00 27.56 C +ATOM 826 O PHE A 99 27.242 -8.636 14.041 1.00 28.22 O +ATOM 827 CB PHE A 99 24.869 -7.028 12.836 1.00 27.19 C +ATOM 828 CG PHE A 99 24.997 -7.412 11.376 1.00 25.66 C +ATOM 829 CD1 PHE A 99 24.954 -6.429 10.369 1.00 26.26 C +ATOM 830 CD2 PHE A 99 25.085 -8.774 11.004 1.00 24.78 C +ATOM 831 CE1 PHE A 99 25.057 -6.768 9.035 1.00 24.99 C +ATOM 832 CE2 PHE A 99 25.197 -9.133 9.681 1.00 26.00 C +ATOM 833 CZ PHE A 99 25.140 -8.142 8.681 1.00 25.46 C +ATOM 834 N GLY A 100 28.325 -7.303 12.565 1.00 27.18 N +ATOM 835 CA GLY A 100 29.610 -8.063 12.534 1.00 26.87 C +ATOM 836 C GLY A 100 30.182 -8.446 11.159 1.00 25.68 C +ATOM 837 O GLY A 100 31.410 -8.570 10.969 1.00 27.41 O +ATOM 838 N ASN A 101 29.301 -8.638 10.191 1.00 24.05 N +ATOM 839 CA ASN A 101 29.662 -9.179 8.893 1.00 23.36 C +ATOM 840 C ASN A 101 30.441 -8.111 8.110 1.00 23.63 C +ATOM 841 O ASN A 101 30.032 -6.943 8.130 1.00 24.74 O +ATOM 842 CB ASN A 101 28.377 -9.629 8.183 1.00 23.17 C +ATOM 843 CG ASN A 101 28.629 -10.533 7.002 1.00 22.18 C +ATOM 844 OD1 ASN A 101 29.617 -11.269 6.924 1.00 22.84 O +ATOM 845 ND2 ASN A 101 27.706 -10.502 6.079 1.00 22.66 N +ATOM 846 N VAL A 102 31.595 -8.468 7.522 1.00 23.80 N +ATOM 847 CA VAL A 102 32.286 -7.593 6.550 1.00 23.26 C +ATOM 848 C VAL A 102 31.489 -7.817 5.301 1.00 22.71 C +ATOM 849 O VAL A 102 31.375 -8.935 4.828 1.00 23.88 O +ATOM 850 CB VAL A 102 33.787 -7.922 6.280 1.00 23.68 C +ATOM 851 CG1 VAL A 102 34.263 -7.205 5.008 1.00 22.99 C +ATOM 852 CG2 VAL A 102 34.636 -7.513 7.469 1.00 25.78 C +ATOM 853 N CYS A 103 30.838 -6.777 4.813 1.00 21.12 N +ATOM 854 CA CYS A 103 29.866 -6.976 3.771 1.00 20.74 C +ATOM 855 C CYS A 103 29.573 -5.685 3.056 1.00 19.36 C +ATOM 856 O CYS A 103 29.857 -4.597 3.570 1.00 18.98 O +ATOM 857 CB CYS A 103 28.568 -7.572 4.339 1.00 21.77 C +ATOM 858 SG CYS A 103 27.789 -6.577 5.630 1.00 25.46 S +ATOM 859 N VAL A 104 28.975 -5.815 1.882 1.00 18.97 N +ATOM 860 CA VAL A 104 28.606 -4.670 1.084 1.00 19.29 C +ATOM 861 C VAL A 104 27.353 -4.044 1.693 1.00 18.49 C +ATOM 862 O VAL A 104 26.401 -4.728 2.105 1.00 19.48 O +ATOM 863 CB VAL A 104 28.456 -5.021 -0.429 1.00 19.60 C +ATOM 864 CG1 VAL A 104 27.842 -3.863 -1.229 1.00 22.34 C +ATOM 865 CG2 VAL A 104 29.837 -5.403 -1.031 1.00 21.13 C +ATOM 866 N ASN A 105 27.385 -2.726 1.815 1.00 17.33 N +ATOM 867 CA ASN A 105 26.237 -1.955 2.271 1.00 17.10 C +ATOM 868 C ASN A 105 25.820 -2.219 3.708 1.00 17.05 C +ATOM 869 O ASN A 105 24.697 -1.928 4.083 1.00 16.60 O +ATOM 870 CB ASN A 105 25.059 -2.116 1.307 1.00 17.47 C +ATOM 871 CG ASN A 105 25.366 -1.619 -0.088 1.00 18.80 C +ATOM 872 OD1 ASN A 105 26.221 -0.750 -0.267 1.00 19.37 O +ATOM 873 ND2 ASN A 105 24.663 -2.138 -1.076 1.00 19.40 N +ATOM 874 N ALA A 106 26.730 -2.737 4.522 1.00 17.59 N +ATOM 875 CA ALA A 106 26.462 -3.027 5.938 1.00 18.16 C +ATOM 876 C ALA A 106 25.293 -3.994 6.115 1.00 18.31 C +ATOM 877 O ALA A 106 24.662 -3.999 7.163 1.00 19.81 O +ATOM 878 CB ALA A 106 26.214 -1.741 6.730 1.00 18.47 C +ATOM 879 N GLY A 107 24.990 -4.784 5.095 1.00 18.26 N +ATOM 880 CA GLY A 107 23.845 -5.689 5.164 1.00 18.69 C +ATOM 881 C GLY A 107 22.514 -5.002 5.074 1.00 18.57 C +ATOM 882 O GLY A 107 21.515 -5.606 5.402 1.00 20.16 O +ATOM 883 N ILE A 108 22.491 -3.732 4.671 1.00 16.98 N +ATOM 884 CA ILE A 108 21.235 -3.042 4.387 1.00 16.99 C +ATOM 885 C ILE A 108 20.778 -3.400 2.996 1.00 17.34 C +ATOM 886 O ILE A 108 21.562 -3.335 2.038 1.00 19.00 O +ATOM 887 CB ILE A 108 21.416 -1.514 4.465 1.00 16.80 C +ATOM 888 CG1 ILE A 108 21.895 -1.121 5.863 1.00 16.72 C +ATOM 889 CG2 ILE A 108 20.110 -0.774 4.125 1.00 17.40 C +ATOM 890 CD1 ILE A 108 22.065 0.361 6.055 1.00 17.66 C +ATOM 891 N ASP A 109 19.494 -3.721 2.852 1.00 18.13 N +ATOM 892 CA ASP A 109 18.962 -4.203 1.593 1.00 18.49 C +ATOM 893 C ASP A 109 17.847 -3.266 1.143 1.00 19.38 C +ATOM 894 O ASP A 109 16.996 -2.899 1.936 1.00 19.78 O +ATOM 895 CB ASP A 109 18.455 -5.650 1.799 1.00 18.21 C +ATOM 896 CG ASP A 109 18.606 -6.484 0.581 1.00 18.90 C +ATOM 897 OD1 ASP A 109 18.221 -5.973 -0.488 1.00 19.99 O +ATOM 898 OD2 ASP A 109 19.071 -7.647 0.687 1.00 18.96 O +ATOM 899 N ALA A 110 17.822 -2.883 -0.126 1.00 21.61 N +ATOM 900 CA ALA A 110 16.696 -2.093 -0.601 1.00 22.29 C +ATOM 901 C ALA A 110 15.756 -2.882 -1.475 1.00 22.43 C +ATOM 902 O ALA A 110 14.874 -2.305 -2.092 1.00 24.96 O +ATOM 903 CB ALA A 110 17.152 -0.810 -1.321 1.00 24.11 C +ATOM 904 N ASER A 111 15.931 -4.200 -1.512 0.50 21.36 N +ATOM 905 N BSER A 111 15.934 -4.196 -1.545 0.50 20.62 N +ATOM 906 CA ASER A 111 15.051 -5.079 -2.263 0.50 21.31 C +ATOM 907 CA BSER A 111 15.028 -5.036 -2.307 0.50 20.00 C +ATOM 908 C ASER A 111 14.089 -5.794 -1.331 0.50 20.01 C +ATOM 909 C BSER A 111 14.106 -5.801 -1.360 0.50 19.26 C +ATOM 910 O ASER A 111 14.354 -5.941 -0.136 0.50 19.85 O +ATOM 911 O BSER A 111 14.411 -5.974 -0.180 0.50 19.10 O +ATOM 912 CB ASER A 111 15.879 -6.093 -3.057 0.50 21.45 C +ATOM 913 CB BSER A 111 15.817 -5.982 -3.226 0.50 19.59 C +ATOM 914 OG ASER A 111 15.088 -7.177 -3.515 0.50 24.85 O +ATOM 915 OG BSER A 111 16.437 -5.283 -4.313 0.50 19.15 O +ATOM 916 N ASN A 112 12.974 -6.246 -1.890 1.00 19.04 N +ATOM 917 CA ASN A 112 11.947 -6.985 -1.124 1.00 18.34 C +ATOM 918 C ASN A 112 11.327 -6.222 0.032 1.00 18.57 C +ATOM 919 O ASN A 112 10.837 -6.790 1.007 1.00 18.32 O +ATOM 920 CB ASN A 112 12.447 -8.391 -0.721 1.00 18.19 C +ATOM 921 CG ASN A 112 12.399 -9.366 -1.884 1.00 17.40 C +ATOM 922 OD1 ASN A 112 11.497 -9.271 -2.726 1.00 18.86 O +ATOM 923 ND2 ASN A 112 13.314 -10.323 -1.931 1.00 15.28 N +ATOM 924 N AVAL A 113 11.304 -4.904 -0.151 0.50 18.54 N +ATOM 925 N BVAL A 113 11.366 -4.898 -0.083 0.50 18.62 N +ATOM 926 CA AVAL A 113 10.697 -3.948 0.756 0.50 19.15 C +ATOM 927 CA BVAL A 113 10.558 -4.007 0.733 0.50 19.35 C +ATOM 928 C AVAL A 113 10.118 -2.833 -0.130 0.50 19.95 C +ATOM 929 C BVAL A 113 9.951 -2.979 -0.207 0.50 19.96 C +ATOM 930 O AVAL A 113 10.644 -2.571 -1.216 0.50 19.56 O +ATOM 931 O BVAL A 113 10.255 -2.940 -1.403 0.50 19.36 O +ATOM 932 CB AVAL A 113 11.759 -3.401 1.751 0.50 19.51 C +ATOM 933 CB BVAL A 113 11.374 -3.304 1.843 0.50 19.92 C +ATOM 934 CG1AVAL A 113 12.725 -2.443 1.060 0.50 19.62 C +ATOM 935 CG1BVAL A 113 11.761 -4.304 2.919 0.50 19.95 C +ATOM 936 CG2AVAL A 113 11.089 -2.743 2.944 0.50 18.94 C +ATOM 937 CG2BVAL A 113 12.598 -2.608 1.263 0.50 19.95 C +ATOM 938 N GLU A 114 9.061 -2.169 0.338 1.00 20.81 N +ATOM 939 CA GLU A 114 8.369 -1.158 -0.457 1.00 22.42 C +ATOM 940 C GLU A 114 9.327 -0.114 -0.987 1.00 22.74 C +ATOM 941 O GLU A 114 10.302 0.241 -0.341 1.00 21.35 O +ATOM 942 CB GLU A 114 7.281 -0.484 0.385 1.00 23.80 C +ATOM 943 CG GLU A 114 6.139 -1.412 0.798 1.00 27.82 C +ATOM 944 CD GLU A 114 6.306 -2.156 2.150 1.00 31.48 C +ATOM 945 OE1 GLU A 114 7.451 -2.446 2.643 1.00 30.50 O +ATOM 946 OE2 GLU A 114 5.225 -2.501 2.703 1.00 34.26 O +ATOM 947 N GLU A 115 9.005 0.397 -2.176 1.00 23.73 N +ATOM 948 CA GLU A 115 9.756 1.469 -2.781 1.00 24.87 C +ATOM 949 C GLU A 115 9.923 2.608 -1.780 1.00 23.53 C +ATOM 950 O GLU A 115 8.975 2.997 -1.099 1.00 23.19 O +ATOM 951 CB GLU A 115 9.030 1.953 -4.032 1.00 25.51 C +ATOM 952 CG GLU A 115 9.788 2.955 -4.859 1.00 28.23 C +ATOM 953 CD GLU A 115 9.108 3.204 -6.191 1.00 29.38 C +ATOM 954 OE1 GLU A 115 9.022 2.261 -7.015 1.00 35.55 O +ATOM 955 OE2 GLU A 115 8.669 4.346 -6.407 1.00 34.75 O +ATOM 956 N GLY A 116 11.137 3.122 -1.681 1.00 22.98 N +ATOM 957 CA GLY A 116 11.451 4.196 -0.761 1.00 22.56 C +ATOM 958 C GLY A 116 11.854 3.769 0.638 1.00 21.44 C +ATOM 959 O GLY A 116 12.153 4.624 1.468 1.00 20.99 O +ATOM 960 N SER A 117 11.861 2.455 0.897 1.00 19.95 N +ATOM 961 CA SER A 117 12.253 1.921 2.204 1.00 19.23 C +ATOM 962 C SER A 117 13.532 1.102 2.064 1.00 17.60 C +ATOM 963 O SER A 117 13.890 0.643 0.975 1.00 18.58 O +ATOM 964 CB SER A 117 11.148 1.061 2.813 1.00 19.82 C +ATOM 965 OG SER A 117 10.074 1.878 3.263 1.00 23.79 O +ATOM 966 N ALEU A 118 14.182 0.921 3.209 0.50 16.73 N +ATOM 967 N BLEU A 118 14.229 0.946 3.186 0.50 17.37 N +ATOM 968 CA ALEU A 118 15.382 0.114 3.348 0.50 15.99 C +ATOM 969 CA BLEU A 118 15.390 0.064 3.264 0.50 17.03 C +ATOM 970 C ALEU A 118 15.126 -0.903 4.441 0.50 15.51 C +ATOM 971 C BLEU A 118 15.283 -0.834 4.496 0.50 16.12 C +ATOM 972 O ALEU A 118 14.328 -0.663 5.336 0.50 15.09 O +ATOM 973 O BLEU A 118 14.769 -0.450 5.554 0.50 15.16 O +ATOM 974 CB ALEU A 118 16.552 0.995 3.761 0.50 15.41 C +ATOM 975 CB BLEU A 118 16.709 0.852 3.259 0.50 17.24 C +ATOM 976 CG ALEU A 118 16.930 2.084 2.757 0.50 16.61 C +ATOM 977 CG BLEU A 118 16.992 1.924 4.319 0.50 18.69 C +ATOM 978 CD1ALEU A 118 18.187 2.830 3.192 0.50 16.51 C +ATOM 979 CD1BLEU A 118 17.448 1.289 5.599 0.50 18.50 C +ATOM 980 CD2ALEU A 118 17.128 1.489 1.386 0.50 18.13 C +ATOM 981 CD2BLEU A 118 18.046 2.931 3.861 0.50 18.19 C +ATOM 982 N LEU A 119 15.812 -2.039 4.362 1.00 15.45 N +ATOM 983 CA ALEU A 119 15.778 -3.081 5.413 0.50 15.88 C +ATOM 984 CA BLEU A 119 15.758 -2.996 5.427 0.50 15.18 C +ATOM 985 C LEU A 119 17.119 -3.107 6.112 1.00 14.60 C +ATOM 986 O LEU A 119 18.109 -3.508 5.510 1.00 15.33 O +ATOM 987 CB ALEU A 119 15.531 -4.483 4.829 0.50 17.42 C +ATOM 988 CB BLEU A 119 15.325 -4.311 4.852 0.50 15.94 C +ATOM 989 CG ALEU A 119 14.099 -5.016 4.709 0.50 19.58 C +ATOM 990 CG BLEU A 119 14.901 -5.296 5.904 0.50 14.06 C +ATOM 991 CD1ALEU A 119 14.081 -6.436 4.207 0.50 22.71 C +ATOM 992 CD1BLEU A 119 13.745 -4.762 6.776 0.50 15.15 C +ATOM 993 CD2ALEU A 119 13.399 -4.981 6.047 0.50 21.56 C +ATOM 994 CD2BLEU A 119 14.534 -6.535 5.150 0.50 13.07 C +ATOM 995 N LEU A 120 17.184 -2.709 7.378 1.00 14.30 N +ATOM 996 CA ALEU A 120 18.420 -2.819 8.116 0.50 13.89 C +ATOM 997 CA BLEU A 120 18.400 -2.804 8.170 0.50 13.57 C +ATOM 998 C LEU A 120 18.606 -4.250 8.632 1.00 13.18 C +ATOM 999 O LEU A 120 17.652 -4.961 8.826 1.00 13.29 O +ATOM 1000 CB ALEU A 120 18.441 -1.816 9.263 0.50 14.15 C +ATOM 1001 CB BLEU A 120 18.306 -1.901 9.408 0.50 13.72 C +ATOM 1002 CG ALEU A 120 18.847 -0.395 8.856 0.50 15.14 C +ATOM 1003 CG BLEU A 120 18.133 -0.388 9.212 0.50 13.54 C +ATOM 1004 CD1ALEU A 120 18.086 0.120 7.633 0.50 15.93 C +ATOM 1005 CD1BLEU A 120 18.031 0.317 10.555 0.50 15.98 C +ATOM 1006 CD2ALEU A 120 18.693 0.546 10.040 0.50 14.59 C +ATOM 1007 CD2BLEU A 120 19.290 0.200 8.404 0.50 15.38 C +ATOM 1008 N PRO A 121 19.849 -4.642 8.862 1.00 13.30 N +ATOM 1009 CA PRO A 121 20.098 -6.007 9.330 1.00 13.11 C +ATOM 1010 C PRO A 121 19.539 -6.189 10.737 1.00 12.18 C +ATOM 1011 O PRO A 121 19.362 -5.221 11.491 1.00 12.92 O +ATOM 1012 CB PRO A 121 21.648 -6.089 9.334 1.00 14.78 C +ATOM 1013 CG PRO A 121 22.101 -4.703 9.438 1.00 16.24 C +ATOM 1014 CD PRO A 121 21.107 -3.884 8.691 1.00 14.40 C +ATOM 1015 N PRO A 122 19.321 -7.421 11.138 1.00 12.08 N +ATOM 1016 CA PRO A 122 18.899 -7.631 12.531 1.00 11.63 C +ATOM 1017 C PRO A 122 19.963 -7.142 13.504 1.00 12.17 C +ATOM 1018 O PRO A 122 21.158 -7.248 13.227 1.00 13.49 O +ATOM 1019 CB PRO A 122 18.756 -9.158 12.609 1.00 11.85 C +ATOM 1020 CG PRO A 122 18.598 -9.593 11.172 1.00 12.15 C +ATOM 1021 CD PRO A 122 19.472 -8.682 10.418 1.00 12.43 C +ATOM 1022 N LEU A 123 19.553 -6.612 14.655 1.00 12.74 N +ATOM 1023 CA LEU A 123 20.525 -6.108 15.607 1.00 14.40 C +ATOM 1024 C LEU A 123 21.392 -7.203 16.202 1.00 13.65 C +ATOM 1025 O LEU A 123 22.569 -6.985 16.491 1.00 15.42 O +ATOM 1026 CB LEU A 123 19.789 -5.440 16.753 1.00 15.81 C +ATOM 1027 CG LEU A 123 19.164 -4.086 16.446 1.00 17.83 C +ATOM 1028 CD1 LEU A 123 18.186 -3.669 17.587 1.00 20.96 C +ATOM 1029 CD2 LEU A 123 20.221 -3.016 16.216 1.00 20.95 C +ATOM 1030 N ASP A 124 20.843 -8.395 16.370 1.00 12.43 N +ATOM 1031 CA ASP A 124 21.601 -9.497 16.925 1.00 12.14 C +ATOM 1032 C ASP A 124 21.119 -10.799 16.267 1.00 11.72 C +ATOM 1033 O ASP A 124 20.240 -11.476 16.811 1.00 11.42 O +ATOM 1034 CB ASP A 124 21.409 -9.550 18.451 1.00 12.04 C +ATOM 1035 CG ASP A 124 22.204 -10.694 19.102 1.00 13.08 C +ATOM 1036 OD1 ASP A 124 22.898 -11.441 18.367 1.00 14.28 O +ATOM 1037 OD2 ASP A 124 22.148 -10.864 20.352 1.00 15.69 O +ATOM 1038 N PRO A 125 21.652 -11.132 15.091 1.00 11.56 N +ATOM 1039 CA PRO A 125 21.171 -12.320 14.399 1.00 11.04 C +ATOM 1040 C PRO A 125 21.312 -13.630 15.169 1.00 10.83 C +ATOM 1041 O PRO A 125 20.422 -14.480 15.044 1.00 11.20 O +ATOM 1042 CB PRO A 125 21.972 -12.314 13.087 1.00 11.89 C +ATOM 1043 CG PRO A 125 22.412 -10.913 12.898 1.00 14.05 C +ATOM 1044 CD PRO A 125 22.639 -10.370 14.292 1.00 12.12 C +ATOM 1045 N ASP A 126 22.388 -13.818 15.932 1.00 10.43 N +ATOM 1046 CA ASP A 126 22.490 -15.054 16.742 1.00 10.11 C +ATOM 1047 C ASP A 126 21.347 -15.108 17.766 1.00 10.60 C +ATOM 1048 O ASP A 126 20.753 -16.154 18.009 1.00 11.23 O +ATOM 1049 CB ASP A 126 23.834 -15.127 17.471 1.00 10.86 C +ATOM 1050 CG ASP A 126 25.008 -15.599 16.608 1.00 12.08 C +ATOM 1051 OD1 ASP A 126 24.829 -16.064 15.473 1.00 13.32 O +ATOM 1052 OD2 ASP A 126 26.163 -15.537 17.114 1.00 15.23 O +ATOM 1053 N GLY A 127 21.043 -13.967 18.373 1.00 10.53 N +ATOM 1054 CA GLY A 127 19.887 -13.872 19.279 1.00 10.49 C +ATOM 1055 C GLY A 127 18.569 -14.172 18.617 1.00 10.14 C +ATOM 1056 O GLY A 127 17.722 -14.877 19.180 1.00 10.88 O +ATOM 1057 N SER A 128 18.393 -13.649 17.403 1.00 10.38 N +ATOM 1058 CA SER A 128 17.172 -13.946 16.661 1.00 10.60 C +ATOM 1059 C SER A 128 17.052 -15.463 16.387 1.00 10.38 C +ATOM 1060 O SER A 128 15.978 -16.061 16.468 1.00 10.49 O +ATOM 1061 CB SER A 128 17.163 -13.227 15.321 1.00 11.03 C +ATOM 1062 OG SER A 128 17.226 -11.841 15.452 1.00 13.74 O +ATOM 1063 N ALA A 129 18.159 -16.074 15.976 1.00 10.16 N +ATOM 1064 CA ALA A 129 18.192 -17.519 15.693 1.00 9.91 C +ATOM 1065 C ALA A 129 17.842 -18.317 16.945 1.00 10.45 C +ATOM 1066 O ALA A 129 17.095 -19.280 16.894 1.00 10.38 O +ATOM 1067 CB ALA A 129 19.524 -17.938 15.129 1.00 10.61 C +ATOM 1068 N GLU A 130 18.399 -17.889 18.051 1.00 10.42 N +ATOM 1069 CA GLU A 130 18.183 -18.537 19.334 1.00 10.38 C +ATOM 1070 C GLU A 130 16.736 -18.454 19.793 1.00 10.50 C +ATOM 1071 O GLU A 130 16.140 -19.422 20.255 1.00 10.05 O +ATOM 1072 CB GLU A 130 19.101 -17.886 20.364 1.00 10.02 C +ATOM 1073 CG GLU A 130 19.039 -18.448 21.749 1.00 11.43 C +ATOM 1074 CD GLU A 130 20.065 -17.771 22.602 1.00 11.82 C +ATOM 1075 OE1 GLU A 130 19.813 -16.616 22.976 1.00 13.42 O +ATOM 1076 OE2 GLU A 130 21.134 -18.369 22.876 1.00 15.22 O +ATOM 1077 N LYS A 131 16.137 -17.288 19.620 1.00 10.80 N +ATOM 1078 CA LYS A 131 14.736 -17.110 19.984 1.00 11.10 C +ATOM 1079 C LYS A 131 13.826 -17.952 19.103 1.00 10.78 C +ATOM 1080 O LYS A 131 12.836 -18.502 19.577 1.00 11.43 O +ATOM 1081 CB LYS A 131 14.387 -15.610 19.945 1.00 12.30 C +ATOM 1082 CG LYS A 131 14.950 -14.891 21.186 1.00 14.68 C +ATOM 1083 CD LYS A 131 14.832 -13.389 21.198 1.00 16.72 C +ATOM 1084 CE LYS A 131 15.348 -12.830 22.557 1.00 19.21 C +ATOM 1085 NZ LYS A 131 16.854 -12.909 22.885 1.00 17.73 N +ATOM 1086 N LEU A 132 14.111 -18.025 17.806 1.00 11.54 N +ATOM 1087 CA LEU A 132 13.322 -18.857 16.901 1.00 11.88 C +ATOM 1088 C LEU A 132 13.425 -20.326 17.268 1.00 10.95 C +ATOM 1089 O LEU A 132 12.427 -21.026 17.359 1.00 11.39 O +ATOM 1090 CB LEU A 132 13.783 -18.599 15.450 1.00 13.86 C +ATOM 1091 CG LEU A 132 12.961 -19.119 14.298 1.00 15.98 C +ATOM 1092 CD1 LEU A 132 11.517 -18.795 14.451 1.00 20.90 C +ATOM 1093 CD2 LEU A 132 13.476 -18.531 13.003 1.00 17.29 C +ATOM 1094 N ARG A 133 14.641 -20.776 17.546 1.00 11.05 N +ATOM 1095 CA ARG A 133 14.896 -22.142 17.989 1.00 11.19 C +ATOM 1096 C ARG A 133 14.093 -22.453 19.260 1.00 10.49 C +ATOM 1097 O ARG A 133 13.476 -23.523 19.381 1.00 11.69 O +ATOM 1098 CB ARG A 133 16.390 -22.329 18.234 1.00 11.07 C +ATOM 1099 CG ARG A 133 16.809 -23.669 18.819 1.00 11.58 C +ATOM 1100 CD ARG A 133 18.312 -23.704 19.031 1.00 15.37 C +ATOM 1101 NE ARG A 133 18.821 -24.813 19.832 1.00 19.95 N +ATOM 1102 CZ ARG A 133 19.939 -24.766 20.567 1.00 22.34 C +ATOM 1103 NH1 ARG A 133 20.667 -23.662 20.660 1.00 23.95 N +ATOM 1104 NH2 ARG A 133 20.339 -25.847 21.212 1.00 23.34 N +ATOM 1105 N ARG A 134 14.149 -21.542 20.229 1.00 10.57 N +ATOM 1106 CA ARG A 134 13.426 -21.710 21.492 1.00 10.68 C +ATOM 1107 C ARG A 134 11.930 -21.786 21.296 1.00 11.05 C +ATOM 1108 O ARG A 134 11.255 -22.628 21.894 1.00 11.21 O +ATOM 1109 CB ARG A 134 13.769 -20.541 22.402 1.00 11.09 C +ATOM 1110 CG ARG A 134 13.073 -20.532 23.756 1.00 13.29 C +ATOM 1111 CD ARG A 134 13.356 -21.779 24.589 1.00 15.06 C +ATOM 1112 NE ARG A 134 14.767 -21.934 24.888 1.00 14.26 N +ATOM 1113 CZ ARG A 134 15.287 -22.926 25.587 1.00 15.64 C +ATOM 1114 NH1 ARG A 134 14.511 -23.858 26.084 1.00 19.29 N +ATOM 1115 NH2 ARG A 134 16.579 -22.979 25.758 1.00 17.02 N +ATOM 1116 N AARG A 135 11.394 -20.932 20.439 0.50 10.75 N +ATOM 1117 N BARG A 135 11.397 -20.895 20.468 0.50 11.39 N +ATOM 1118 CA AARG A 135 9.961 -20.957 20.190 0.50 11.39 C +ATOM 1119 CA BARG A 135 9.974 -20.926 20.130 0.50 12.47 C +ATOM 1120 C AARG A 135 9.523 -22.222 19.452 0.50 11.86 C +ATOM 1121 C BARG A 135 9.568 -22.255 19.509 0.50 12.41 C +ATOM 1122 O AARG A 135 8.444 -22.753 19.704 0.50 12.23 O +ATOM 1123 O BARG A 135 8.568 -22.861 19.893 0.50 12.42 O +ATOM 1124 CB AARG A 135 9.565 -19.715 19.424 0.50 11.51 C +ATOM 1125 CB BARG A 135 9.654 -19.809 19.152 0.50 13.49 C +ATOM 1126 CG AARG A 135 8.103 -19.457 19.387 0.50 13.13 C +ATOM 1127 CG BARG A 135 9.236 -18.488 19.759 0.50 16.23 C +ATOM 1128 CD AARG A 135 7.702 -18.482 20.484 0.50 17.79 C +ATOM 1129 CD BARG A 135 7.682 -18.364 19.729 0.50 20.76 C +ATOM 1130 NE AARG A 135 6.264 -18.485 20.580 0.50 19.52 N +ATOM 1131 NE BARG A 135 7.084 -19.187 20.774 0.50 22.83 N +ATOM 1132 CZ AARG A 135 5.556 -19.408 21.212 0.50 21.10 C +ATOM 1133 CZ BARG A 135 5.781 -19.359 20.947 0.50 22.70 C +ATOM 1134 NH1AARG A 135 6.171 -20.411 21.834 0.50 22.33 N +ATOM 1135 NH1BARG A 135 4.915 -18.787 20.126 0.50 24.53 N +ATOM 1136 NH2AARG A 135 4.228 -19.316 21.247 0.50 20.62 N +ATOM 1137 NH2BARG A 135 5.338 -20.104 21.960 0.50 23.73 N +ATOM 1138 N ILE A 136 10.350 -22.726 18.551 1.00 12.08 N +ATOM 1139 CA ILE A 136 10.060 -24.024 17.927 1.00 12.70 C +ATOM 1140 C ILE A 136 10.011 -25.139 18.960 1.00 12.53 C +ATOM 1141 O ILE A 136 9.135 -25.993 18.929 1.00 13.56 O +ATOM 1142 CB ILE A 136 11.045 -24.339 16.778 1.00 12.87 C +ATOM 1143 CG1 ILE A 136 10.779 -23.373 15.628 1.00 15.40 C +ATOM 1144 CG2 ILE A 136 10.896 -25.799 16.322 1.00 13.95 C +ATOM 1145 CD1 ILE A 136 11.819 -23.321 14.595 1.00 16.55 C +ATOM 1146 N LEU A 137 10.960 -25.136 19.887 1.00 12.20 N +ATOM 1147 CA LEU A 137 10.972 -26.119 20.982 1.00 12.38 C +ATOM 1148 C LEU A 137 9.677 -26.011 21.785 1.00 13.20 C +ATOM 1149 O LEU A 137 9.042 -27.023 22.088 1.00 13.95 O +ATOM 1150 CB LEU A 137 12.185 -25.923 21.874 1.00 12.23 C +ATOM 1151 CG LEU A 137 12.276 -26.873 23.078 1.00 13.15 C +ATOM 1152 CD1 LEU A 137 12.312 -28.330 22.604 1.00 16.47 C +ATOM 1153 CD2 LEU A 137 13.521 -26.562 23.890 1.00 14.26 C +ATOM 1154 N GLU A 138 9.309 -24.798 22.171 1.00 12.68 N +ATOM 1155 CA GLU A 138 8.077 -24.595 22.938 1.00 13.10 C +ATOM 1156 C GLU A 138 6.843 -25.085 22.204 1.00 12.97 C +ATOM 1157 O GLU A 138 5.923 -25.656 22.808 1.00 15.78 O +ATOM 1158 CB GLU A 138 7.917 -23.113 23.275 1.00 12.65 C +ATOM 1159 CG GLU A 138 8.930 -22.593 24.290 1.00 13.16 C +ATOM 1160 CD GLU A 138 8.959 -21.078 24.461 1.00 14.48 C +ATOM 1161 OE1 GLU A 138 8.391 -20.341 23.649 1.00 17.10 O +ATOM 1162 OE2 GLU A 138 9.558 -20.608 25.453 1.00 16.34 O +ATOM 1163 N LEU A 139 6.798 -24.859 20.892 1.00 13.22 N +ATOM 1164 CA LEU A 139 5.618 -25.169 20.099 1.00 14.22 C +ATOM 1165 C LEU A 139 5.499 -26.645 19.746 1.00 14.99 C +ATOM 1166 O LEU A 139 4.381 -27.168 19.652 1.00 17.39 O +ATOM 1167 CB LEU A 139 5.631 -24.374 18.782 1.00 14.90 C +ATOM 1168 CG LEU A 139 5.367 -22.873 18.897 1.00 14.92 C +ATOM 1169 CD1 LEU A 139 5.741 -22.115 17.635 1.00 17.64 C +ATOM 1170 CD2 LEU A 139 3.897 -22.636 19.250 1.00 17.47 C +ATOM 1171 N THR A 140 6.634 -27.318 19.554 1.00 14.93 N +ATOM 1172 CA THR A 140 6.654 -28.657 18.949 1.00 15.61 C +ATOM 1173 C THR A 140 7.345 -29.731 19.766 1.00 15.52 C +ATOM 1174 O THR A 140 7.183 -30.926 19.459 1.00 17.43 O +ATOM 1175 CB THR A 140 7.372 -28.639 17.566 1.00 16.23 C +ATOM 1176 OG1 THR A 140 8.769 -28.456 17.767 1.00 15.54 O +ATOM 1177 CG2 THR A 140 6.823 -27.565 16.628 1.00 17.69 C +ATOM 1178 N GLY A 141 8.120 -29.357 20.786 1.00 15.01 N +ATOM 1179 CA GLY A 141 8.967 -30.310 21.474 1.00 15.67 C +ATOM 1180 C GLY A 141 10.216 -30.754 20.750 1.00 15.52 C +ATOM 1181 O GLY A 141 11.003 -31.561 21.281 1.00 17.28 O +ATOM 1182 N LYS A 142 10.460 -30.190 19.562 1.00 15.67 N +ATOM 1183 CA LYS A 142 11.572 -30.614 18.757 1.00 15.94 C +ATOM 1184 C LYS A 142 12.721 -29.633 18.878 1.00 14.48 C +ATOM 1185 O LYS A 142 12.519 -28.409 18.942 1.00 14.16 O +ATOM 1186 CB LYS A 142 11.159 -30.767 17.300 1.00 15.86 C +ATOM 1187 CG LYS A 142 10.019 -31.686 17.075 1.00 17.01 C +ATOM 1188 CD LYS A 142 10.287 -33.080 17.598 1.00 19.29 C +ATOM 1189 CE LYS A 142 9.118 -33.988 17.253 1.00 22.03 C +ATOM 1190 NZ LYS A 142 9.378 -35.414 17.605 1.00 24.77 N +ATOM 1191 N ARG A 143 13.928 -30.203 18.925 1.00 15.37 N +ATOM 1192 CA ARG A 143 15.175 -29.468 19.059 1.00 16.48 C +ATOM 1193 C ARG A 143 15.803 -29.353 17.675 1.00 15.56 C +ATOM 1194 O ARG A 143 16.414 -30.305 17.140 1.00 15.73 O +ATOM 1195 CB ARG A 143 16.093 -30.183 20.071 1.00 17.94 C +ATOM 1196 CG ARG A 143 15.525 -30.058 21.531 1.00 20.16 C +ATOM 1197 CD ARG A 143 16.391 -30.690 22.631 1.00 22.55 C +ATOM 1198 NE ARG A 143 15.815 -30.546 23.986 1.00 24.87 N +ATOM 1199 CZ ARG A 143 16.010 -29.508 24.804 1.00 28.48 C +ATOM 1200 NH1 ARG A 143 16.756 -28.472 24.435 1.00 30.46 N +ATOM 1201 NH2 ARG A 143 15.444 -29.489 26.005 1.00 29.66 N +ATOM 1202 N VAL A 144 15.611 -28.169 17.089 1.00 13.91 N +ATOM 1203 CA VAL A 144 16.111 -27.915 15.747 1.00 14.12 C +ATOM 1204 C VAL A 144 17.252 -26.925 15.833 1.00 14.56 C +ATOM 1205 O VAL A 144 17.414 -26.228 16.841 1.00 17.30 O +ATOM 1206 CB VAL A 144 14.980 -27.460 14.833 1.00 13.88 C +ATOM 1207 CG1 VAL A 144 13.833 -28.441 14.859 1.00 15.53 C +ATOM 1208 CG2 VAL A 144 14.570 -26.045 15.127 1.00 16.83 C +ATOM 1209 N GLY A 145 18.084 -26.906 14.816 1.00 11.91 N +ATOM 1210 CA GLY A 145 19.077 -25.854 14.655 1.00 11.39 C +ATOM 1211 C GLY A 145 18.497 -24.754 13.773 1.00 10.39 C +ATOM 1212 O GLY A 145 17.608 -25.004 12.963 1.00 11.08 O +ATOM 1213 N VAL A 146 18.949 -23.517 13.967 1.00 10.01 N +ATOM 1214 CA VAL A 146 18.483 -22.391 13.171 1.00 9.41 C +ATOM 1215 C VAL A 146 19.680 -21.597 12.638 1.00 9.10 C +ATOM 1216 O VAL A 146 20.611 -21.271 13.370 1.00 10.03 O +ATOM 1217 CB VAL A 146 17.565 -21.460 13.977 1.00 9.87 C +ATOM 1218 CG1 VAL A 146 17.166 -20.257 13.147 1.00 10.82 C +ATOM 1219 CG2 VAL A 146 16.297 -22.196 14.455 1.00 10.80 C +ATOM 1220 N ILE A 147 19.648 -21.314 11.334 1.00 9.00 N +ATOM 1221 CA ILE A 147 20.615 -20.451 10.654 1.00 9.02 C +ATOM 1222 C ILE A 147 19.842 -19.326 9.969 1.00 8.98 C +ATOM 1223 O ILE A 147 18.864 -19.573 9.272 1.00 9.78 O +ATOM 1224 CB ILE A 147 21.462 -21.226 9.608 1.00 9.39 C +ATOM 1225 CG1 ILE A 147 22.225 -22.364 10.283 1.00 10.66 C +ATOM 1226 CG2 ILE A 147 22.386 -20.259 8.836 1.00 10.19 C +ATOM 1227 CD1 ILE A 147 22.946 -23.284 9.306 1.00 11.47 C +ATOM 1228 N AILE A 148 20.315 -18.103 10.157 0.50 8.79 N +ATOM 1229 N BILE A 148 20.267 -18.090 10.223 0.50 9.44 N +ATOM 1230 CA AILE A 148 19.777 -16.938 9.481 0.50 8.76 C +ATOM 1231 CA BILE A 148 19.794 -16.912 9.498 0.50 9.95 C +ATOM 1232 C AILE A 148 20.772 -16.505 8.419 0.50 8.79 C +ATOM 1233 C BILE A 148 20.791 -16.613 8.397 0.50 9.38 C +ATOM 1234 O AILE A 148 21.950 -16.322 8.715 0.50 8.95 O +ATOM 1235 O BILE A 148 22.003 -16.650 8.644 0.50 8.74 O +ATOM 1236 CB AILE A 148 19.504 -15.803 10.488 0.50 8.92 C +ATOM 1237 CB BILE A 148 19.687 -15.654 10.402 0.50 10.51 C +ATOM 1238 CG1AILE A 148 18.320 -16.191 11.391 0.50 7.84 C +ATOM 1239 CG1BILE A 148 18.952 -15.970 11.716 0.50 12.28 C +ATOM 1240 CG2AILE A 148 19.289 -14.470 9.770 0.50 8.42 C +ATOM 1241 CG2BILE A 148 19.030 -14.512 9.637 0.50 10.70 C +ATOM 1242 CD1AILE A 148 18.149 -15.267 12.598 0.50 8.22 C +ATOM 1243 CD1BILE A 148 17.590 -16.567 11.539 0.50 13.18 C +ATOM 1244 N THR A 149 20.301 -16.360 7.183 1.00 9.57 N +ATOM 1245 CA THR A 149 21.155 -16.162 6.024 1.00 9.82 C +ATOM 1246 C THR A 149 21.029 -14.782 5.413 1.00 10.22 C +ATOM 1247 O THR A 149 19.986 -14.140 5.501 1.00 11.26 O +ATOM 1248 CB THR A 149 20.857 -17.196 4.935 1.00 10.50 C +ATOM 1249 OG1 THR A 149 19.535 -17.030 4.444 1.00 11.81 O +ATOM 1250 CG2 THR A 149 21.057 -18.559 5.417 1.00 12.76 C +ATOM 1251 N ASP A 150 22.100 -14.335 4.769 1.00 9.62 N +ATOM 1252 CA ASP A 150 22.002 -13.153 3.927 1.00 10.18 C +ATOM 1253 C ASP A 150 22.886 -13.341 2.703 1.00 10.88 C +ATOM 1254 O ASP A 150 23.971 -13.910 2.778 1.00 13.28 O +ATOM 1255 CB ASP A 150 22.392 -11.899 4.712 1.00 10.77 C +ATOM 1256 CG ASP A 150 21.950 -10.610 4.066 1.00 11.76 C +ATOM 1257 OD1 ASP A 150 21.030 -10.606 3.223 1.00 11.29 O +ATOM 1258 OD2 ASP A 150 22.472 -9.566 4.511 1.00 15.32 O +ATOM 1259 N THR A 151 22.415 -12.845 1.584 1.00 10.91 N +ATOM 1260 CA THR A 151 23.122 -12.868 0.319 1.00 11.66 C +ATOM 1261 C THR A 151 24.246 -11.847 0.332 1.00 11.99 C +ATOM 1262 O THR A 151 24.049 -10.700 0.710 1.00 13.20 O +ATOM 1263 CB THR A 151 22.113 -12.511 -0.783 1.00 12.20 C +ATOM 1264 OG1 THR A 151 21.123 -13.544 -0.858 1.00 12.48 O +ATOM 1265 CG2 THR A 151 22.799 -12.356 -2.134 1.00 13.84 C +ATOM 1266 N AASN A 152 25.412 -12.260 -0.158 0.50 11.89 N +ATOM 1267 N BASN A 152 25.446 -12.287 -0.062 0.50 12.05 N +ATOM 1268 CA AASN A 152 26.571 -11.393 -0.261 0.50 13.24 C +ATOM 1269 CA BASN A 152 26.603 -11.411 -0.238 0.50 13.29 C +ATOM 1270 C AASN A 152 27.424 -11.852 -1.435 0.50 12.44 C +ATOM 1271 C BASN A 152 27.373 -11.840 -1.485 0.50 12.53 C +ATOM 1272 O AASN A 152 27.479 -13.042 -1.757 0.50 11.53 O +ATOM 1273 O BASN A 152 27.314 -12.994 -1.912 0.50 12.19 O +ATOM 1274 CB AASN A 152 27.446 -11.503 0.996 0.50 14.29 C +ATOM 1275 CB BASN A 152 27.627 -11.519 0.909 0.50 14.51 C +ATOM 1276 CG AASN A 152 26.862 -10.847 2.227 0.50 17.03 C +ATOM 1277 CG BASN A 152 27.067 -11.300 2.312 0.50 15.78 C +ATOM 1278 OD1AASN A 152 27.070 -9.661 2.450 0.50 19.75 O +ATOM 1279 OD1BASN A 152 25.992 -10.723 2.521 0.50 17.57 O +ATOM 1280 ND2AASN A 152 26.217 -11.647 3.096 0.50 16.48 N +ATOM 1281 ND2BASN A 152 27.856 -11.722 3.307 0.50 16.00 N +ATOM 1282 N GLY A 153 28.156 -10.914 -2.025 1.00 13.14 N +ATOM 1283 CA GLY A 153 29.232 -11.247 -2.954 1.00 13.82 C +ATOM 1284 C GLY A 153 30.432 -11.774 -2.191 1.00 13.71 C +ATOM 1285 O GLY A 153 30.399 -11.967 -0.975 1.00 15.20 O +ATOM 1286 N ARG A 154 31.529 -11.973 -2.915 1.00 14.07 N +ATOM 1287 CA ARG A 154 32.701 -12.571 -2.314 1.00 14.54 C +ATOM 1288 C ARG A 154 33.942 -12.139 -3.075 1.00 15.22 C +ATOM 1289 O ARG A 154 33.849 -11.694 -4.208 1.00 16.53 O +ATOM 1290 CB ARG A 154 32.597 -14.098 -2.267 1.00 14.71 C +ATOM 1291 CG ARG A 154 32.316 -14.730 -3.592 1.00 13.96 C +ATOM 1292 CD ARG A 154 30.843 -15.084 -3.832 1.00 13.08 C +ATOM 1293 NE ARG A 154 30.673 -15.667 -5.143 1.00 12.24 N +ATOM 1294 CZ ARG A 154 30.959 -16.921 -5.471 1.00 11.98 C +ATOM 1295 NH1 ARG A 154 30.845 -17.305 -6.728 1.00 12.47 N +ATOM 1296 NH2 ARG A 154 31.379 -17.770 -4.559 1.00 11.93 N +ATOM 1297 N ACYS A 155 35.107 -12.279 -2.452 0.50 16.60 N +ATOM 1298 N BCYS A 155 35.095 -12.275 -2.437 0.50 16.26 N +ATOM 1299 CA ACYS A 155 36.347 -11.966 -3.166 0.50 17.22 C +ATOM 1300 CA BCYS A 155 36.384 -11.949 -3.063 0.50 16.60 C +ATOM 1301 C ACYS A 155 36.617 -12.939 -4.274 0.50 16.77 C +ATOM 1302 C BCYS A 155 36.723 -12.925 -4.193 0.50 16.37 C +ATOM 1303 O ACYS A 155 36.285 -14.131 -4.200 0.50 16.90 O +ATOM 1304 O BCYS A 155 36.553 -14.143 -4.030 0.50 16.69 O +ATOM 1305 CB ACYS A 155 37.596 -11.940 -2.299 0.50 17.95 C +ATOM 1306 CB BCYS A 155 37.504 -12.019 -2.038 0.50 17.15 C +ATOM 1307 SG ACYS A 155 37.775 -13.258 -1.108 0.45 19.23 S +ATOM 1308 SG BCYS A 155 37.328 -10.947 -0.639 0.55 18.96 S +ATOM 1309 N PHE A 156 37.183 -12.370 -5.319 1.00 16.02 N +ATOM 1310 CA PHE A 156 37.783 -13.074 -6.468 1.00 15.69 C +ATOM 1311 C PHE A 156 36.826 -13.745 -7.442 1.00 15.42 C +ATOM 1312 O PHE A 156 37.244 -14.161 -8.546 1.00 17.86 O +ATOM 1313 CB PHE A 156 38.894 -14.032 -6.009 1.00 16.79 C +ATOM 1314 CG PHE A 156 39.788 -13.463 -4.946 1.00 17.48 C +ATOM 1315 CD1 PHE A 156 40.404 -12.243 -5.118 1.00 19.13 C +ATOM 1316 CD2 PHE A 156 39.970 -14.120 -3.743 1.00 18.88 C +ATOM 1317 CE1 PHE A 156 41.237 -11.724 -4.125 1.00 19.86 C +ATOM 1318 CE2 PHE A 156 40.785 -13.582 -2.761 1.00 20.39 C +ATOM 1319 CZ PHE A 156 41.393 -12.375 -2.961 1.00 18.84 C +ATOM 1320 N ARG A 157 35.570 -13.925 -7.027 1.00 14.20 N +ATOM 1321 CA ARG A 157 34.605 -14.628 -7.798 1.00 14.85 C +ATOM 1322 C ARG A 157 33.396 -13.748 -7.951 1.00 14.40 C +ATOM 1323 O ARG A 157 33.022 -13.029 -7.031 1.00 15.68 O +ATOM 1324 CB ARG A 157 34.190 -15.932 -7.122 1.00 14.13 C +ATOM 1325 CG ARG A 157 35.287 -16.944 -7.050 1.00 14.27 C +ATOM 1326 CD ARG A 157 34.793 -18.238 -6.374 1.00 14.23 C +ATOM 1327 NE ARG A 157 35.775 -19.307 -6.534 1.00 15.33 N +ATOM 1328 CZ ARG A 157 35.542 -20.526 -7.004 1.00 12.73 C +ATOM 1329 NH1 ARG A 157 36.563 -21.354 -7.140 1.00 14.54 N +ATOM 1330 NH2 ARG A 157 34.342 -20.914 -7.378 1.00 11.63 N +ATOM 1331 N ARG A 158 32.781 -13.852 -9.114 1.00 13.57 N +ATOM 1332 CA ARG A 158 31.577 -13.133 -9.424 1.00 13.96 C +ATOM 1333 C ARG A 158 30.376 -13.823 -8.781 1.00 13.91 C +ATOM 1334 O ARG A 158 30.431 -15.006 -8.422 1.00 13.95 O +ATOM 1335 CB ARG A 158 31.385 -13.084 -10.924 1.00 14.69 C +ATOM 1336 CG ARG A 158 32.541 -12.481 -11.695 1.00 15.55 C +ATOM 1337 CD ARG A 158 32.115 -12.193 -13.077 1.00 17.85 C +ATOM 1338 NE ARG A 158 33.199 -11.761 -13.964 1.00 18.33 N +ATOM 1339 CZ ARG A 158 33.667 -12.477 -14.972 1.00 20.03 C +ATOM 1340 NH1 ARG A 158 34.631 -11.962 -15.713 1.00 22.16 N +ATOM 1341 NH2 ARG A 158 33.261 -13.708 -15.216 1.00 22.57 N +ATOM 1342 N GLY A 159 29.264 -13.107 -8.748 1.00 13.94 N +ATOM 1343 CA GLY A 159 28.003 -13.616 -8.299 1.00 14.04 C +ATOM 1344 C GLY A 159 27.873 -13.606 -6.785 1.00 13.00 C +ATOM 1345 O GLY A 159 28.849 -13.524 -6.015 1.00 14.51 O +ATOM 1346 N VAL A 160 26.633 -13.714 -6.354 1.00 12.49 N +ATOM 1347 CA VAL A 160 26.335 -13.746 -4.941 1.00 11.75 C +ATOM 1348 C VAL A 160 25.967 -15.166 -4.492 1.00 10.75 C +ATOM 1349 O VAL A 160 25.533 -15.995 -5.279 1.00 11.63 O +ATOM 1350 CB VAL A 160 25.179 -12.762 -4.592 1.00 12.25 C +ATOM 1351 CG1 VAL A 160 25.558 -11.323 -4.972 1.00 14.54 C +ATOM 1352 CG2 VAL A 160 23.898 -13.156 -5.256 1.00 13.63 C +ATOM 1353 N VAL A 161 26.132 -15.405 -3.193 1.00 11.25 N +ATOM 1354 CA VAL A 161 25.691 -16.640 -2.586 1.00 10.87 C +ATOM 1355 C VAL A 161 25.145 -16.322 -1.193 1.00 10.99 C +ATOM 1356 O VAL A 161 25.345 -15.228 -0.656 1.00 11.75 O +ATOM 1357 CB VAL A 161 26.867 -17.651 -2.450 1.00 11.13 C +ATOM 1358 CG1 VAL A 161 27.452 -18.033 -3.835 1.00 12.69 C +ATOM 1359 CG2 VAL A 161 27.957 -17.141 -1.480 1.00 12.53 C +ATOM 1360 N GLY A 162 24.458 -17.280 -0.603 1.00 10.03 N +ATOM 1361 CA GLY A 162 24.046 -17.132 0.780 1.00 10.12 C +ATOM 1362 C GLY A 162 25.148 -17.437 1.768 1.00 10.15 C +ATOM 1363 O GLY A 162 25.900 -18.382 1.588 1.00 10.92 O +ATOM 1364 N PHE A 163 25.188 -16.640 2.834 1.00 9.86 N +ATOM 1365 CA PHE A 163 26.079 -16.832 3.985 1.00 10.01 C +ATOM 1366 C PHE A 163 25.252 -16.847 5.260 1.00 10.14 C +ATOM 1367 O PHE A 163 24.225 -16.177 5.353 1.00 10.59 O +ATOM 1368 CB PHE A 163 27.078 -15.665 4.122 1.00 10.58 C +ATOM 1369 CG PHE A 163 28.148 -15.635 3.051 1.00 11.55 C +ATOM 1370 CD1 PHE A 163 29.355 -16.279 3.235 1.00 11.91 C +ATOM 1371 CD2 PHE A 163 27.944 -14.948 1.866 1.00 12.24 C +ATOM 1372 CE1 PHE A 163 30.342 -16.230 2.251 1.00 12.99 C +ATOM 1373 CE2 PHE A 163 28.932 -14.916 0.884 1.00 12.84 C +ATOM 1374 CZ PHE A 163 30.130 -15.548 1.101 1.00 13.24 C +ATOM 1375 N ALA A 164 25.741 -17.555 6.272 1.00 9.70 N +ATOM 1376 CA ALA A 164 25.177 -17.461 7.611 1.00 9.99 C +ATOM 1377 C ALA A 164 25.532 -16.092 8.181 1.00 10.05 C +ATOM 1378 O ALA A 164 26.695 -15.727 8.147 1.00 10.93 O +ATOM 1379 CB ALA A 164 25.737 -18.587 8.514 1.00 11.05 C +ATOM 1380 N ILE A 165 24.571 -15.440 8.821 1.00 9.81 N +ATOM 1381 CA ILE A 165 24.810 -14.286 9.654 1.00 10.66 C +ATOM 1382 C ILE A 165 24.305 -14.463 11.083 1.00 10.00 C +ATOM 1383 O ILE A 165 24.606 -13.620 11.928 1.00 10.96 O +ATOM 1384 CB ILE A 165 24.302 -12.971 9.030 1.00 10.88 C +ATOM 1385 CG1 ILE A 165 22.771 -12.925 8.914 1.00 12.05 C +ATOM 1386 CG2 ILE A 165 25.018 -12.717 7.706 1.00 13.01 C +ATOM 1387 CD1 ILE A 165 22.224 -11.527 8.793 1.00 13.72 C +ATOM 1388 N GLY A 166 23.531 -15.516 11.353 1.00 10.01 N +ATOM 1389 CA GLY A 166 23.127 -15.858 12.708 1.00 10.14 C +ATOM 1390 C GLY A 166 22.985 -17.360 12.820 1.00 10.11 C +ATOM 1391 O GLY A 166 22.535 -18.000 11.866 1.00 10.74 O +ATOM 1392 N AILE A 167 23.344 -17.929 13.972 0.50 9.47 N +ATOM 1393 N BILE A 167 23.343 -17.919 13.981 0.50 10.00 N +ATOM 1394 CA AILE A 167 23.192 -19.351 14.168 0.50 10.20 C +ATOM 1395 CA BILE A 167 23.317 -19.352 14.204 0.50 11.16 C +ATOM 1396 C AILE A 167 22.879 -19.684 15.617 0.50 10.40 C +ATOM 1397 C BILE A 167 22.825 -19.632 15.625 0.50 10.93 C +ATOM 1398 O AILE A 167 23.382 -19.042 16.536 0.50 10.87 O +ATOM 1399 O BILE A 167 23.143 -18.872 16.542 0.50 11.61 O +ATOM 1400 CB AILE A 167 24.453 -20.131 13.707 0.50 10.52 C +ATOM 1401 CB BILE A 167 24.739 -19.964 14.059 0.50 11.76 C +ATOM 1402 CG1AILE A 167 25.697 -19.664 14.476 0.50 11.36 C +ATOM 1403 CG1BILE A 167 25.378 -19.680 12.695 0.50 12.88 C +ATOM 1404 CG2AILE A 167 24.651 -20.012 12.195 0.50 11.30 C +ATOM 1405 CG2BILE A 167 24.690 -21.472 14.283 0.50 13.30 C +ATOM 1406 CD1AILE A 167 26.931 -20.504 14.190 0.50 12.36 C +ATOM 1407 CD1BILE A 167 26.866 -19.936 12.713 0.50 13.76 C +ATOM 1408 N SER A 168 22.055 -20.706 15.795 1.00 10.37 N +ATOM 1409 CA SER A 168 21.781 -21.239 17.131 1.00 10.75 C +ATOM 1410 C SER A 168 21.472 -22.704 17.052 1.00 11.01 C +ATOM 1411 O SER A 168 20.641 -23.100 16.255 1.00 11.76 O +ATOM 1412 CB SER A 168 20.601 -20.541 17.788 1.00 11.58 C +ATOM 1413 OG SER A 168 20.380 -21.010 19.111 1.00 13.18 O +ATOM 1414 N GLY A 169 22.182 -23.526 17.823 1.00 11.52 N +ATOM 1415 CA GLY A 169 21.892 -24.963 17.876 1.00 12.25 C +ATOM 1416 C GLY A 169 22.522 -25.782 16.760 1.00 13.58 C +ATOM 1417 O GLY A 169 22.249 -26.979 16.638 1.00 14.76 O +ATOM 1418 N VAL A 170 23.339 -25.123 15.944 1.00 13.19 N +ATOM 1419 CA AVAL A 170 24.145 -25.746 14.912 0.50 14.22 C +ATOM 1420 CA BVAL A 170 24.170 -25.825 14.994 0.50 14.35 C +ATOM 1421 C VAL A 170 25.605 -25.439 15.199 1.00 15.22 C +ATOM 1422 O VAL A 170 25.915 -24.343 15.649 1.00 15.61 O +ATOM 1423 CB AVAL A 170 23.784 -25.188 13.493 0.50 14.53 C +ATOM 1424 CB BVAL A 170 23.809 -25.532 13.531 0.50 14.59 C +ATOM 1425 CG1AVAL A 170 24.555 -25.929 12.386 0.50 14.33 C +ATOM 1426 CG1BVAL A 170 22.389 -25.932 13.238 0.50 15.18 C +ATOM 1427 CG2AVAL A 170 22.297 -25.275 13.239 0.50 14.26 C +ATOM 1428 CG2BVAL A 170 24.062 -24.079 13.225 0.50 14.35 C +ATOM 1429 N LYS A 171 26.488 -26.380 14.886 1.00 15.30 N +ATOM 1430 CA LYS A 171 27.915 -26.042 14.813 1.00 16.48 C +ATOM 1431 C LYS A 171 28.158 -24.934 13.795 1.00 14.91 C +ATOM 1432 O LYS A 171 27.595 -24.950 12.698 1.00 15.33 O +ATOM 1433 CB LYS A 171 28.728 -27.239 14.333 1.00 17.63 C +ATOM 1434 CG LYS A 171 28.677 -28.480 15.195 1.00 21.14 C +ATOM 1435 CD LYS A 171 29.633 -29.514 14.556 1.00 22.08 C +ATOM 1436 CE LYS A 171 29.657 -30.871 15.223 1.00 25.50 C +ATOM 1437 NZ LYS A 171 30.749 -31.758 14.685 1.00 27.93 N +ATOM 1438 N ALA A 172 29.018 -23.990 14.143 1.00 13.42 N +ATOM 1439 CA ALA A 172 29.575 -23.102 13.137 1.00 12.66 C +ATOM 1440 C ALA A 172 30.565 -23.881 12.285 1.00 12.99 C +ATOM 1441 O ALA A 172 30.540 -23.797 11.044 1.00 12.66 O +ATOM 1442 CB ALA A 172 30.241 -21.893 13.781 1.00 14.42 C +ATOM 1443 N MET A 173 31.444 -24.607 12.975 1.00 12.69 N +ATOM 1444 CA MET A 173 32.548 -25.322 12.357 1.00 12.45 C +ATOM 1445 C MET A 173 32.488 -26.795 12.688 1.00 13.10 C +ATOM 1446 O MET A 173 32.110 -27.166 13.788 1.00 15.21 O +ATOM 1447 CB MET A 173 33.873 -24.806 12.905 1.00 13.91 C +ATOM 1448 CG MET A 173 34.121 -23.342 12.711 1.00 14.56 C +ATOM 1449 SD MET A 173 34.159 -22.850 10.979 1.00 14.40 S +ATOM 1450 CE MET A 173 34.770 -21.169 11.158 1.00 13.57 C +ATOM 1451 N LYS A 174 32.946 -27.618 11.751 1.00 13.35 N +ATOM 1452 CA LYS A 174 33.300 -29.009 12.036 1.00 14.70 C +ATOM 1453 C LYS A 174 34.788 -29.018 12.211 1.00 15.83 C +ATOM 1454 O LYS A 174 35.540 -28.502 11.386 1.00 15.15 O +ATOM 1455 CB LYS A 174 32.811 -29.933 10.927 1.00 15.13 C +ATOM 1456 CG LYS A 174 33.114 -31.391 11.096 1.00 18.27 C +ATOM 1457 CD LYS A 174 32.513 -32.058 9.883 1.00 21.19 C +ATOM 1458 CE LYS A 174 32.475 -33.520 9.996 1.00 23.21 C +ATOM 1459 NZ LYS A 174 31.755 -34.118 8.821 1.00 23.76 N +ATOM 1460 N ASP A 175 35.179 -29.596 13.345 1.00 16.69 N +ATOM 1461 CA ASP A 175 36.563 -29.678 13.749 1.00 18.54 C +ATOM 1462 C ASP A 175 37.247 -30.873 13.103 1.00 18.63 C +ATOM 1463 O ASP A 175 36.857 -32.023 13.334 1.00 20.91 O +ATOM 1464 CB ASP A 175 36.587 -29.848 15.286 1.00 19.24 C +ATOM 1465 CG ASP A 175 37.982 -29.770 15.897 1.00 24.46 C +ATOM 1466 OD1 ASP A 175 38.966 -29.473 15.198 1.00 26.66 O +ATOM 1467 OD2 ASP A 175 38.063 -29.990 17.139 1.00 31.94 O +ATOM 1468 N TRP A 176 38.287 -30.614 12.324 1.00 17.43 N +ATOM 1469 CA TRP A 176 39.089 -31.669 11.687 1.00 17.49 C +ATOM 1470 C TRP A 176 40.447 -31.855 12.373 1.00 18.20 C +ATOM 1471 O TRP A 176 41.205 -32.725 11.968 1.00 19.03 O +ATOM 1472 CB TRP A 176 39.261 -31.380 10.169 1.00 16.83 C +ATOM 1473 CG TRP A 176 37.964 -31.544 9.441 1.00 15.95 C +ATOM 1474 CD1 TRP A 176 37.081 -30.560 9.113 1.00 15.07 C +ATOM 1475 CD2 TRP A 176 37.354 -32.776 9.044 1.00 14.74 C +ATOM 1476 NE1 TRP A 176 35.981 -31.101 8.496 1.00 14.33 N +ATOM 1477 CE2 TRP A 176 36.121 -32.462 8.446 1.00 14.79 C +ATOM 1478 CE3 TRP A 176 37.754 -34.119 9.087 1.00 16.13 C +ATOM 1479 CZ2 TRP A 176 35.268 -33.434 7.958 1.00 14.73 C +ATOM 1480 CZ3 TRP A 176 36.920 -35.087 8.581 1.00 16.63 C +ATOM 1481 CH2 TRP A 176 35.694 -34.743 8.001 1.00 16.30 C +ATOM 1482 N ILE A 177 40.738 -31.095 13.433 1.00 19.76 N +ATOM 1483 CA ILE A 177 42.008 -31.259 14.158 1.00 20.82 C +ATOM 1484 C ILE A 177 42.016 -32.659 14.771 1.00 21.66 C +ATOM 1485 O ILE A 177 41.016 -33.122 15.351 1.00 22.71 O +ATOM 1486 CB ILE A 177 42.216 -30.193 15.260 1.00 20.71 C +ATOM 1487 CG1 ILE A 177 42.211 -28.769 14.687 1.00 21.74 C +ATOM 1488 CG2 ILE A 177 43.573 -30.427 15.961 1.00 21.68 C +ATOM 1489 CD1 ILE A 177 42.110 -27.691 15.731 1.00 21.55 C +ATOM 1490 N GLY A 178 43.128 -33.369 14.596 1.00 23.65 N +ATOM 1491 CA GLY A 178 43.229 -34.715 15.134 1.00 25.05 C +ATOM 1492 C GLY A 178 42.600 -35.830 14.308 1.00 25.59 C +ATOM 1493 O GLY A 178 42.796 -37.014 14.618 1.00 27.82 O +ATOM 1494 N ARG A 179 41.828 -35.481 13.278 1.00 25.09 N +ATOM 1495 CA ARG A 179 41.313 -36.473 12.342 1.00 24.52 C +ATOM 1496 C ARG A 179 42.417 -36.759 11.334 1.00 23.60 C +ATOM 1497 O ARG A 179 43.299 -35.937 11.121 1.00 24.11 O +ATOM 1498 CB ARG A 179 40.051 -35.964 11.626 1.00 24.79 C +ATOM 1499 CG ARG A 179 38.845 -35.705 12.524 1.00 27.51 C +ATOM 1500 CD ARG A 179 38.065 -36.967 12.892 1.00 32.40 C +ATOM 1501 NE ARG A 179 37.505 -37.688 11.742 1.00 35.27 N +ATOM 1502 CZ ARG A 179 36.419 -37.340 11.043 1.00 36.29 C +ATOM 1503 NH1 ARG A 179 35.720 -36.239 11.320 1.00 36.70 N +ATOM 1504 NH2 ARG A 179 36.026 -38.117 10.034 1.00 35.75 N +ATOM 1505 N LYS A 180 42.383 -37.946 10.752 1.00 22.71 N +ATOM 1506 CA ALYS A 180 43.434 -38.346 9.821 0.50 22.37 C +ATOM 1507 CA BLYS A 180 43.421 -38.422 9.836 0.50 22.44 C +ATOM 1508 C LYS A 180 42.898 -38.533 8.412 1.00 21.54 C +ATOM 1509 O LYS A 180 41.720 -38.861 8.210 1.00 21.83 O +ATOM 1510 CB ALYS A 180 44.112 -39.635 10.283 0.50 22.81 C +ATOM 1511 CB BLYS A 180 43.896 -39.818 10.262 0.50 22.79 C +ATOM 1512 CG ALYS A 180 44.706 -39.574 11.690 0.50 23.26 C +ATOM 1513 CG BLYS A 180 44.300 -39.950 11.729 0.50 23.86 C +ATOM 1514 CD ALYS A 180 45.897 -38.637 11.808 0.50 24.82 C +ATOM 1515 CD BLYS A 180 45.495 -39.089 12.045 0.50 24.68 C +ATOM 1516 CE ALYS A 180 46.466 -38.719 13.220 0.50 25.11 C +ATOM 1517 CE BLYS A 180 45.873 -39.204 13.513 0.50 24.01 C +ATOM 1518 NZ ALYS A 180 45.478 -38.263 14.231 0.50 26.71 N +ATOM 1519 NZ BLYS A 180 46.252 -40.591 13.873 0.50 25.59 N +ATOM 1520 N ASP A 181 43.793 -38.339 7.446 1.00 19.71 N +ATOM 1521 CA ASP A 181 43.467 -38.526 6.037 1.00 19.05 C +ATOM 1522 C ASP A 181 43.455 -40.007 5.661 1.00 19.17 C +ATOM 1523 O ASP A 181 43.600 -40.883 6.524 1.00 21.04 O +ATOM 1524 CB ASP A 181 44.386 -37.651 5.163 1.00 18.34 C +ATOM 1525 CG ASP A 181 45.774 -38.218 4.927 1.00 19.67 C +ATOM 1526 OD1 ASP A 181 46.089 -39.338 5.380 1.00 20.82 O +ATOM 1527 OD2 ASP A 181 46.531 -37.462 4.277 1.00 19.71 O +ATOM 1528 N LEU A 182 43.279 -40.312 4.376 1.00 19.64 N +ATOM 1529 CA LEU A 182 43.161 -41.691 3.928 1.00 20.44 C +ATOM 1530 C LEU A 182 44.439 -42.532 4.122 1.00 21.10 C +ATOM 1531 O LEU A 182 44.372 -43.748 4.016 1.00 23.02 O +ATOM 1532 CB LEU A 182 42.777 -41.715 2.442 1.00 19.93 C +ATOM 1533 CG LEU A 182 41.367 -41.189 2.113 1.00 19.79 C +ATOM 1534 CD1 LEU A 182 41.290 -40.857 0.614 1.00 21.06 C +ATOM 1535 CD2 LEU A 182 40.302 -42.188 2.519 1.00 21.45 C +ATOM 1536 N TYR A 183 45.562 -41.858 4.355 1.00 21.48 N +ATOM 1537 CA TYR A 183 46.873 -42.509 4.537 1.00 22.64 C +ATOM 1538 C TYR A 183 47.344 -42.350 5.991 1.00 23.42 C +ATOM 1539 O TYR A 183 48.535 -42.558 6.297 1.00 24.58 O +ATOM 1540 CB TYR A 183 47.850 -41.919 3.520 1.00 23.17 C +ATOM 1541 CG TYR A 183 47.483 -42.277 2.087 1.00 24.28 C +ATOM 1542 CD1 TYR A 183 46.733 -41.401 1.289 1.00 23.79 C +ATOM 1543 CD2 TYR A 183 47.846 -43.502 1.531 1.00 25.56 C +ATOM 1544 CE1 TYR A 183 46.370 -41.742 -0.009 1.00 24.77 C +ATOM 1545 CE2 TYR A 183 47.498 -43.832 0.231 1.00 24.82 C +ATOM 1546 CZ TYR A 183 46.750 -42.943 -0.532 1.00 24.25 C +ATOM 1547 OH TYR A 183 46.410 -43.291 -1.817 1.00 24.43 O +ATOM 1548 N GLY A 184 46.415 -42.040 6.893 1.00 24.48 N +ATOM 1549 CA GLY A 184 46.705 -41.922 8.337 1.00 24.88 C +ATOM 1550 C GLY A 184 47.440 -40.674 8.779 1.00 26.07 C +ATOM 1551 O GLY A 184 47.946 -40.603 9.922 1.00 27.05 O +ATOM 1552 N ARG A 185 47.521 -39.687 7.891 1.00 26.05 N +ATOM 1553 CA ARG A 185 48.258 -38.465 8.165 1.00 26.58 C +ATOM 1554 C ARG A 185 47.356 -37.364 8.730 1.00 26.23 C +ATOM 1555 O ARG A 185 46.146 -37.297 8.437 1.00 24.51 O +ATOM 1556 CB ARG A 185 48.937 -37.939 6.896 1.00 26.61 C +ATOM 1557 CG ARG A 185 49.796 -38.963 6.105 1.00 28.45 C +ATOM 1558 CD ARG A 185 50.286 -38.391 4.761 1.00 29.12 C +ATOM 1559 NE ARG A 185 50.673 -36.990 4.899 1.00 31.59 N +ATOM 1560 CZ ARG A 185 50.768 -36.106 3.916 1.00 32.88 C +ATOM 1561 NH1 ARG A 185 50.542 -36.456 2.654 1.00 35.17 N +ATOM 1562 NH2 ARG A 185 51.101 -34.852 4.207 1.00 32.86 N +ATOM 1563 N GLU A 186 47.957 -36.486 9.522 1.00 26.71 N +ATOM 1564 CA GLU A 186 47.253 -35.343 10.067 1.00 27.17 C +ATOM 1565 C GLU A 186 46.917 -34.357 8.937 1.00 25.47 C +ATOM 1566 O GLU A 186 47.657 -34.243 7.963 1.00 24.33 O +ATOM 1567 CB GLU A 186 48.074 -34.761 11.241 1.00 27.65 C +ATOM 1568 CG GLU A 186 48.158 -35.814 12.389 1.00 30.69 C +ATOM 1569 CD GLU A 186 49.190 -35.544 13.489 1.00 31.17 C +ATOM 1570 OE1 GLU A 186 49.207 -34.423 14.032 1.00 37.09 O +ATOM 1571 OE2 GLU A 186 49.959 -36.483 13.839 1.00 35.55 O +ATOM 1572 N LEU A 187 45.752 -33.712 9.034 1.00 23.22 N +ATOM 1573 CA LEU A 187 45.257 -32.822 7.993 1.00 22.32 C +ATOM 1574 C LEU A 187 45.798 -31.399 8.094 1.00 23.07 C +ATOM 1575 O LEU A 187 46.162 -30.953 9.175 1.00 24.98 O +ATOM 1576 CB LEU A 187 43.727 -32.755 8.065 1.00 20.96 C +ATOM 1577 CG LEU A 187 43.028 -34.101 7.906 1.00 19.44 C +ATOM 1578 CD1 LEU A 187 41.584 -34.014 8.344 1.00 20.15 C +ATOM 1579 CD2 LEU A 187 43.103 -34.583 6.457 1.00 20.94 C +ATOM 1580 N GLU A 188 45.790 -30.676 6.973 1.00 23.33 N +ATOM 1581 CA GLU A 188 46.056 -29.239 6.935 1.00 23.89 C +ATOM 1582 C GLU A 188 44.836 -28.470 7.447 1.00 23.38 C +ATOM 1583 O GLU A 188 44.965 -27.516 8.220 1.00 24.84 O +ATOM 1584 CB GLU A 188 46.415 -28.805 5.504 1.00 24.68 C +ATOM 1585 CG GLU A 188 46.744 -27.317 5.314 1.00 25.58 C +ATOM 1586 CD GLU A 188 47.977 -26.854 6.067 0.30 26.63 C +ATOM 1587 OE1 GLU A 188 48.811 -27.697 6.466 0.30 27.82 O +ATOM 1588 OE2 GLU A 188 48.117 -25.627 6.248 0.30 27.42 O +ATOM 1589 N VAL A 189 43.650 -28.892 7.024 1.00 22.30 N +ATOM 1590 CA VAL A 189 42.408 -28.235 7.445 1.00 20.76 C +ATOM 1591 C VAL A 189 42.203 -28.360 8.956 1.00 20.61 C +ATOM 1592 O VAL A 189 42.346 -29.440 9.500 1.00 21.43 O +ATOM 1593 CB VAL A 189 41.179 -28.854 6.687 1.00 20.38 C +ATOM 1594 CG1 VAL A 189 39.849 -28.409 7.312 1.00 19.50 C +ATOM 1595 CG2 VAL A 189 41.187 -28.458 5.202 1.00 20.40 C +ATOM 1596 N THR A 190 41.880 -27.255 9.629 1.00 19.73 N +ATOM 1597 CA THR A 190 41.477 -27.313 11.050 1.00 19.47 C +ATOM 1598 C THR A 190 39.962 -27.247 11.240 1.00 18.48 C +ATOM 1599 O THR A 190 39.403 -28.037 12.008 1.00 19.88 O +ATOM 1600 CB THR A 190 42.175 -26.225 11.893 1.00 19.65 C +ATOM 1601 OG1 THR A 190 41.769 -24.926 11.468 1.00 22.74 O +ATOM 1602 CG2 THR A 190 43.715 -26.345 11.799 1.00 20.33 C +ATOM 1603 N VAL A 191 39.311 -26.309 10.556 1.00 16.78 N +ATOM 1604 CA VAL A 191 37.864 -26.126 10.660 1.00 14.94 C +ATOM 1605 C VAL A 191 37.218 -25.919 9.293 1.00 13.56 C +ATOM 1606 O VAL A 191 37.685 -25.171 8.461 1.00 13.43 O +ATOM 1607 CB VAL A 191 37.472 -24.960 11.633 1.00 15.36 C +ATOM 1608 CG1 VAL A 191 37.702 -25.398 13.078 1.00 17.66 C +ATOM 1609 CG2 VAL A 191 38.199 -23.664 11.309 1.00 17.81 C +ATOM 1610 N GLU A 192 36.111 -26.609 9.115 1.00 12.14 N +ATOM 1611 CA GLU A 192 35.223 -26.480 7.940 1.00 11.33 C +ATOM 1612 C GLU A 192 33.972 -25.728 8.397 1.00 11.10 C +ATOM 1613 O GLU A 192 33.344 -26.102 9.380 1.00 11.89 O +ATOM 1614 CB GLU A 192 34.810 -27.889 7.487 1.00 11.27 C +ATOM 1615 CG GLU A 192 33.765 -27.922 6.400 1.00 11.17 C +ATOM 1616 CD GLU A 192 33.194 -29.292 6.132 1.00 12.63 C +ATOM 1617 OE1 GLU A 192 33.689 -30.280 6.726 1.00 13.92 O +ATOM 1618 OE2 GLU A 192 32.254 -29.390 5.309 1.00 12.38 O +ATOM 1619 N CYS A 193 33.581 -24.709 7.646 1.00 10.81 N +ATOM 1620 CA CYS A 193 32.434 -23.882 8.045 1.00 10.43 C +ATOM 1621 C CYS A 193 31.127 -24.490 7.531 1.00 10.24 C +ATOM 1622 O CYS A 193 30.558 -24.070 6.506 1.00 10.51 O +ATOM 1623 CB CYS A 193 32.619 -22.432 7.650 1.00 10.43 C +ATOM 1624 SG CYS A 193 31.340 -21.398 8.451 1.00 11.82 S +ATOM 1625 N VAL A 194 30.630 -25.443 8.307 1.00 10.85 N +ATOM 1626 CA VAL A 194 29.409 -26.107 7.964 1.00 11.61 C +ATOM 1627 C VAL A 194 28.212 -25.156 7.966 1.00 10.75 C +ATOM 1628 O VAL A 194 27.320 -25.311 7.135 1.00 10.42 O +ATOM 1629 CB VAL A 194 29.163 -27.357 8.773 1.00 14.18 C +ATOM 1630 CG1 VAL A 194 30.314 -28.410 8.576 1.00 16.17 C +ATOM 1631 CG2 VAL A 194 28.978 -27.021 10.215 1.00 15.80 C +ATOM 1632 N ALA A 195 28.190 -24.139 8.827 1.00 9.93 N +ATOM 1633 CA ALA A 195 27.060 -23.217 8.812 1.00 10.06 C +ATOM 1634 C ALA A 195 26.959 -22.499 7.470 1.00 9.94 C +ATOM 1635 O ALA A 195 25.849 -22.324 6.961 1.00 10.06 O +ATOM 1636 CB ALA A 195 27.145 -22.233 9.948 1.00 11.75 C +ATOM 1637 N ASP A 196 28.092 -22.081 6.886 1.00 9.93 N +ATOM 1638 CA ASP A 196 28.059 -21.407 5.600 1.00 9.94 C +ATOM 1639 C ASP A 196 27.742 -22.339 4.468 1.00 9.96 C +ATOM 1640 O ASP A 196 27.153 -21.912 3.476 1.00 9.72 O +ATOM 1641 CB ASP A 196 29.357 -20.612 5.354 1.00 10.24 C +ATOM 1642 CG ASP A 196 29.383 -19.270 6.079 1.00 9.98 C +ATOM 1643 OD1 ASP A 196 28.290 -18.816 6.496 1.00 11.06 O +ATOM 1644 OD2 ASP A 196 30.476 -18.683 6.166 1.00 11.34 O +ATOM 1645 N GLU A 197 28.139 -23.607 4.576 1.00 9.23 N +ATOM 1646 CA GLU A 197 27.833 -24.562 3.513 1.00 9.62 C +ATOM 1647 C GLU A 197 26.313 -24.838 3.479 1.00 9.24 C +ATOM 1648 O GLU A 197 25.708 -24.912 2.407 1.00 10.40 O +ATOM 1649 CB GLU A 197 28.668 -25.844 3.711 1.00 10.15 C +ATOM 1650 CG GLU A 197 30.133 -25.578 3.497 1.00 10.50 C +ATOM 1651 CD GLU A 197 31.026 -26.764 3.709 1.00 11.13 C +ATOM 1652 OE1 GLU A 197 30.778 -27.497 4.694 1.00 12.11 O +ATOM 1653 OE2 GLU A 197 32.012 -26.919 2.934 1.00 10.71 O +ATOM 1654 N ILE A 198 25.682 -24.910 4.649 1.00 9.55 N +ATOM 1655 CA ILE A 198 24.239 -25.066 4.733 1.00 9.45 C +ATOM 1656 C ILE A 198 23.541 -23.794 4.224 1.00 9.05 C +ATOM 1657 O ILE A 198 22.581 -23.864 3.462 1.00 9.83 O +ATOM 1658 CB ILE A 198 23.793 -25.406 6.175 1.00 9.85 C +ATOM 1659 CG1 ILE A 198 24.358 -26.760 6.600 1.00 10.32 C +ATOM 1660 CG2 ILE A 198 22.264 -25.405 6.270 1.00 10.60 C +ATOM 1661 CD1 ILE A 198 24.246 -27.011 8.140 1.00 12.07 C +ATOM 1662 N ALA A 199 24.009 -22.626 4.657 1.00 9.51 N +ATOM 1663 CA ALA A 199 23.405 -21.354 4.272 1.00 9.66 C +ATOM 1664 C ALA A 199 23.388 -21.207 2.753 1.00 9.50 C +ATOM 1665 O ALA A 199 22.389 -20.754 2.169 1.00 10.11 O +ATOM 1666 CB ALA A 199 24.158 -20.222 4.899 1.00 10.59 C +ATOM 1667 N ALA A 200 24.495 -21.555 2.110 1.00 9.03 N +ATOM 1668 CA ALA A 200 24.650 -21.379 0.672 1.00 9.21 C +ATOM 1669 C ALA A 200 23.576 -22.181 -0.055 1.00 9.67 C +ATOM 1670 O ALA A 200 22.927 -21.725 -1.014 1.00 9.53 O +ATOM 1671 CB ALA A 200 26.051 -21.756 0.227 1.00 10.52 C +ATOM 1672 N PHE A 201 23.421 -23.438 0.336 1.00 10.03 N +ATOM 1673 CA PHE A 201 22.478 -24.323 -0.336 1.00 10.56 C +ATOM 1674 C PHE A 201 21.036 -23.910 -0.097 1.00 9.92 C +ATOM 1675 O PHE A 201 20.200 -23.954 -1.012 1.00 10.60 O +ATOM 1676 CB PHE A 201 22.699 -25.782 0.099 1.00 11.39 C +ATOM 1677 CG PHE A 201 22.131 -26.782 -0.853 1.00 11.33 C +ATOM 1678 CD1 PHE A 201 22.716 -27.000 -2.072 1.00 12.30 C +ATOM 1679 CD2 PHE A 201 21.011 -27.504 -0.518 1.00 11.41 C +ATOM 1680 CE1 PHE A 201 22.185 -27.912 -2.957 1.00 13.11 C +ATOM 1681 CE2 PHE A 201 20.491 -28.435 -1.386 1.00 11.96 C +ATOM 1682 CZ PHE A 201 21.070 -28.640 -2.607 1.00 12.17 C +ATOM 1683 N ALA A 202 20.703 -23.563 1.136 1.00 9.74 N +ATOM 1684 CA ALA A 202 19.369 -23.081 1.402 1.00 10.42 C +ATOM 1685 C ALA A 202 19.047 -21.852 0.570 1.00 10.09 C +ATOM 1686 O ALA A 202 17.926 -21.704 0.074 1.00 10.61 O +ATOM 1687 CB ALA A 202 19.243 -22.763 2.892 1.00 11.68 C +ATOM 1688 N ASN A 203 20.020 -20.971 0.410 1.00 10.40 N +ATOM 1689 CA ASN A 203 19.829 -19.774 -0.384 1.00 10.53 C +ATOM 1690 C ASN A 203 19.406 -20.107 -1.807 1.00 10.75 C +ATOM 1691 O ASN A 203 18.569 -19.429 -2.388 1.00 11.10 O +ATOM 1692 CB ASN A 203 21.082 -18.918 -0.383 1.00 11.05 C +ATOM 1693 CG ASN A 203 20.836 -17.590 -1.015 1.00 10.73 C +ATOM 1694 OD1 ASN A 203 21.272 -17.278 -2.163 1.00 13.59 O +ATOM 1695 ND2 ASN A 203 20.110 -16.789 -0.302 1.00 10.57 N +ATOM 1696 N LEU A 204 19.989 -21.158 -2.366 1.00 11.06 N +ATOM 1697 CA ALEU A 204 19.646 -21.629 -3.701 0.50 11.12 C +ATOM 1698 CA BLEU A 204 19.649 -21.593 -3.706 0.50 11.04 C +ATOM 1699 C LEU A 204 18.143 -21.891 -3.823 1.00 11.44 C +ATOM 1700 O LEU A 204 17.505 -21.522 -4.817 1.00 12.39 O +ATOM 1701 CB ALEU A 204 20.457 -22.892 -4.029 0.50 12.32 C +ATOM 1702 CB BLEU A 204 20.530 -22.784 -4.101 0.50 12.35 C +ATOM 1703 CG ALEU A 204 20.112 -23.618 -5.331 0.50 11.77 C +ATOM 1704 CG BLEU A 204 20.416 -23.280 -5.543 0.50 12.58 C +ATOM 1705 CD1ALEU A 204 20.247 -22.715 -6.510 0.50 13.74 C +ATOM 1706 CD1BLEU A 204 19.042 -23.806 -5.821 0.50 17.18 C +ATOM 1707 CD2ALEU A 204 21.054 -24.810 -5.487 0.50 12.44 C +ATOM 1708 CD2BLEU A 204 20.829 -22.221 -6.527 0.50 15.61 C +ATOM 1709 N LEU A 205 17.567 -22.522 -2.807 1.00 11.05 N +ATOM 1710 CA LEU A 205 16.137 -22.802 -2.814 1.00 11.97 C +ATOM 1711 C LEU A 205 15.263 -21.577 -2.531 1.00 11.95 C +ATOM 1712 O LEU A 205 14.121 -21.509 -2.972 1.00 13.72 O +ATOM 1713 CB LEU A 205 15.794 -23.944 -1.846 1.00 12.59 C +ATOM 1714 CG LEU A 205 16.090 -25.358 -2.298 1.00 14.69 C +ATOM 1715 CD1 LEU A 205 17.552 -25.687 -2.315 1.00 18.11 C +ATOM 1716 CD2 LEU A 205 15.266 -26.391 -1.466 1.00 16.60 C +ATOM 1717 N MET A 206 15.776 -20.646 -1.760 1.00 11.27 N +ATOM 1718 CA MET A 206 15.066 -19.377 -1.471 1.00 12.03 C +ATOM 1719 C MET A 206 14.965 -18.480 -2.687 1.00 12.13 C +ATOM 1720 O MET A 206 13.927 -17.859 -2.945 1.00 12.87 O +ATOM 1721 CB MET A 206 15.787 -18.596 -0.386 1.00 11.89 C +ATOM 1722 CG MET A 206 15.740 -19.267 0.961 1.00 12.64 C +ATOM 1723 SD MET A 206 16.770 -18.283 2.124 1.00 17.02 S +ATOM 1724 CE MET A 206 16.602 -19.303 3.597 1.00 15.19 C +ATOM 1725 N GLY A 207 16.063 -18.375 -3.423 1.00 11.86 N +ATOM 1726 CA GLY A 207 16.125 -17.423 -4.509 1.00 12.94 C +ATOM 1727 C GLY A 207 16.415 -16.012 -4.003 1.00 12.78 C +ATOM 1728 O GLY A 207 16.463 -15.764 -2.803 1.00 13.70 O +ATOM 1729 N GLU A 208 16.584 -15.079 -4.952 1.00 13.73 N +ATOM 1730 CA GLU A 208 17.000 -13.701 -4.712 1.00 14.08 C +ATOM 1731 C GLU A 208 15.939 -12.674 -5.050 1.00 14.40 C +ATOM 1732 O GLU A 208 16.196 -11.470 -4.934 1.00 16.71 O +ATOM 1733 CB GLU A 208 18.264 -13.404 -5.514 1.00 14.18 C +ATOM 1734 CG GLU A 208 19.465 -14.225 -5.097 1.00 14.41 C +ATOM 1735 CD GLU A 208 19.909 -13.952 -3.674 1.00 13.20 C +ATOM 1736 OE1 GLU A 208 19.387 -12.981 -3.065 1.00 12.50 O +ATOM 1737 OE2 GLU A 208 20.834 -14.646 -3.186 1.00 13.59 O +ATOM 1738 N GLY A 209 14.774 -13.129 -5.475 1.00 14.37 N +ATOM 1739 CA GLY A 209 13.755 -12.224 -5.960 1.00 14.00 C +ATOM 1740 C GLY A 209 12.433 -12.378 -5.270 1.00 14.29 C +ATOM 1741 O GLY A 209 12.361 -12.301 -4.042 1.00 14.74 O +ATOM 1742 N GLY A 210 11.393 -12.598 -6.074 1.00 14.31 N +ATOM 1743 CA GLY A 210 10.014 -12.557 -5.635 1.00 14.81 C +ATOM 1744 C GLY A 210 9.368 -13.918 -5.460 1.00 15.27 C +ATOM 1745 O GLY A 210 8.151 -14.015 -5.452 1.00 16.95 O +ATOM 1746 N ASP A 211 10.141 -14.983 -5.293 1.00 14.47 N +ATOM 1747 CA ASP A 211 9.553 -16.330 -5.160 1.00 14.79 C +ATOM 1748 C ASP A 211 8.789 -16.485 -3.854 1.00 14.00 C +ATOM 1749 O ASP A 211 7.929 -17.342 -3.738 1.00 15.08 O +ATOM 1750 CB ASP A 211 10.602 -17.439 -5.268 1.00 16.14 C +ATOM 1751 CG ASP A 211 11.241 -17.519 -6.615 1.00 18.06 C +ATOM 1752 OD1 ASP A 211 10.537 -17.371 -7.622 1.00 21.77 O +ATOM 1753 OD2 ASP A 211 12.469 -17.722 -6.644 1.00 19.72 O +ATOM 1754 N GLY A 212 9.113 -15.678 -2.856 1.00 12.30 N +ATOM 1755 CA GLY A 212 8.351 -15.705 -1.614 1.00 12.31 C +ATOM 1756 C GLY A 212 8.665 -16.924 -0.745 1.00 11.48 C +ATOM 1757 O GLY A 212 7.794 -17.391 -0.002 1.00 12.23 O +ATOM 1758 N ILE A 213 9.922 -17.399 -0.802 1.00 10.89 N +ATOM 1759 CA AILE A 213 10.385 -18.562 -0.046 0.50 10.83 C +ATOM 1760 CA BILE A 213 10.378 -18.555 -0.037 0.50 11.00 C +ATOM 1761 C ILE A 213 11.514 -18.102 0.869 1.00 9.95 C +ATOM 1762 O ILE A 213 12.671 -18.069 0.456 1.00 10.29 O +ATOM 1763 CB AILE A 213 10.926 -19.692 -0.966 0.50 11.44 C +ATOM 1764 CB BILE A 213 10.862 -19.696 -0.955 0.50 11.52 C +ATOM 1765 CG1AILE A 213 9.915 -20.061 -2.062 0.50 12.62 C +ATOM 1766 CG1BILE A 213 9.685 -20.264 -1.755 0.50 12.84 C +ATOM 1767 CG2AILE A 213 11.285 -20.923 -0.134 0.50 11.80 C +ATOM 1768 CG2BILE A 213 11.518 -20.794 -0.132 0.50 11.88 C +ATOM 1769 CD1AILE A 213 8.645 -20.726 -1.533 0.50 14.59 C +ATOM 1770 CD1BILE A 213 10.077 -21.224 -2.853 0.50 13.43 C +ATOM 1771 N PRO A 214 11.183 -17.704 2.110 1.00 10.25 N +ATOM 1772 CA PRO A 214 12.172 -17.169 3.022 1.00 9.68 C +ATOM 1773 C PRO A 214 12.702 -18.168 4.043 1.00 9.31 C +ATOM 1774 O PRO A 214 13.458 -17.786 4.946 1.00 10.52 O +ATOM 1775 CB PRO A 214 11.387 -16.101 3.766 1.00 10.53 C +ATOM 1776 CG PRO A 214 10.030 -16.755 3.936 1.00 10.57 C +ATOM 1777 CD PRO A 214 9.819 -17.486 2.619 1.00 10.41 C +ATOM 1778 N ALA A 215 12.326 -19.437 3.903 1.00 10.30 N +ATOM 1779 CA ALA A 215 12.712 -20.444 4.860 1.00 10.64 C +ATOM 1780 C ALA A 215 12.808 -21.786 4.153 1.00 9.69 C +ATOM 1781 O ALA A 215 12.028 -22.072 3.248 1.00 10.72 O +ATOM 1782 CB ALA A 215 11.707 -20.507 6.021 1.00 11.81 C +ATOM 1783 N VAL A 216 13.785 -22.570 4.601 1.00 9.59 N +ATOM 1784 CA VAL A 216 14.093 -23.889 4.046 1.00 10.01 C +ATOM 1785 C VAL A 216 14.417 -24.810 5.218 1.00 9.77 C +ATOM 1786 O VAL A 216 15.029 -24.385 6.195 1.00 11.02 O +ATOM 1787 CB VAL A 216 15.337 -23.774 3.103 1.00 11.09 C +ATOM 1788 CG1 VAL A 216 15.926 -25.150 2.714 1.00 13.02 C +ATOM 1789 CG2 VAL A 216 14.965 -22.946 1.856 1.00 13.02 C +ATOM 1790 N VAL A 217 14.012 -26.064 5.131 1.00 10.19 N +ATOM 1791 CA VAL A 217 14.328 -27.079 6.109 1.00 11.31 C +ATOM 1792 C VAL A 217 15.318 -28.060 5.518 1.00 11.06 C +ATOM 1793 O VAL A 217 15.159 -28.529 4.375 1.00 12.21 O +ATOM 1794 CB VAL A 217 13.062 -27.822 6.605 1.00 11.92 C +ATOM 1795 CG1 VAL A 217 13.438 -28.911 7.641 1.00 13.42 C +ATOM 1796 CG2 VAL A 217 12.071 -26.808 7.218 1.00 13.14 C +ATOM 1797 N VAL A 218 16.345 -28.346 6.284 1.00 10.97 N +ATOM 1798 CA VAL A 218 17.343 -29.358 5.952 1.00 11.69 C +ATOM 1799 C VAL A 218 17.217 -30.506 6.961 1.00 11.69 C +ATOM 1800 O VAL A 218 17.315 -30.280 8.171 1.00 13.10 O +ATOM 1801 CB VAL A 218 18.786 -28.805 6.037 1.00 12.66 C +ATOM 1802 CG1 VAL A 218 19.830 -29.933 5.718 1.00 14.28 C +ATOM 1803 CG2 VAL A 218 18.958 -27.619 5.112 1.00 14.26 C +ATOM 1804 N ARG A 219 16.913 -31.703 6.452 1.00 12.27 N +ATOM 1805 CA ARG A 219 16.651 -32.880 7.264 1.00 13.16 C +ATOM 1806 C ARG A 219 17.673 -33.970 6.955 1.00 13.60 C +ATOM 1807 O ARG A 219 17.995 -34.239 5.790 1.00 14.47 O +ATOM 1808 CB ARG A 219 15.227 -33.347 6.990 1.00 13.91 C +ATOM 1809 CG ARG A 219 14.799 -34.639 7.685 1.00 15.19 C +ATOM 1810 CD ARG A 219 13.267 -34.810 7.673 1.00 15.96 C +ATOM 1811 NE ARG A 219 12.638 -33.722 8.417 1.00 16.53 N +ATOM 1812 CZ ARG A 219 11.406 -33.282 8.226 1.00 17.19 C +ATOM 1813 NH1 ARG A 219 10.611 -33.858 7.347 1.00 19.33 N +ATOM 1814 NH2 ARG A 219 10.953 -32.273 8.934 1.00 17.75 N +ATOM 1815 N GLY A 220 18.165 -34.625 7.990 1.00 14.30 N +ATOM 1816 CA GLY A 220 19.119 -35.722 7.829 1.00 14.99 C +ATOM 1817 C GLY A 220 20.572 -35.409 8.089 1.00 15.06 C +ATOM 1818 O GLY A 220 21.432 -36.320 7.972 1.00 17.35 O +ATOM 1819 N LEU A 221 20.867 -34.166 8.474 1.00 14.44 N +ATOM 1820 CA LEU A 221 22.230 -33.789 8.873 1.00 14.95 C +ATOM 1821 C LEU A 221 22.328 -33.915 10.369 1.00 15.38 C +ATOM 1822 O LEU A 221 21.353 -33.677 11.090 1.00 17.03 O +ATOM 1823 CB LEU A 221 22.557 -32.323 8.559 1.00 17.12 C +ATOM 1824 CG LEU A 221 22.721 -31.964 7.119 1.00 17.24 C +ATOM 1825 CD1 LEU A 221 23.020 -30.482 7.039 1.00 17.39 C +ATOM 1826 CD2 LEU A 221 23.824 -32.797 6.468 1.00 18.29 C +ATOM 1827 N ASN A 222 23.506 -34.237 10.844 1.00 15.84 N +ATOM 1828 CA ASN A 222 23.772 -34.180 12.260 1.00 16.71 C +ATOM 1829 C ASN A 222 24.835 -33.149 12.521 1.00 16.37 C +ATOM 1830 O ASN A 222 26.041 -33.440 12.620 1.00 18.18 O +ATOM 1831 CB ASN A 222 24.227 -35.518 12.785 1.00 17.22 C +ATOM 1832 CG ASN A 222 24.597 -35.451 14.234 1.00 19.00 C +ATOM 1833 OD1 ASN A 222 24.215 -34.507 14.972 1.00 22.06 O +ATOM 1834 ND2 ASN A 222 25.400 -36.405 14.651 1.00 20.50 N +ATOM 1835 N VAL A 223 24.379 -31.911 12.641 1.00 15.28 N +ATOM 1836 CA VAL A 223 25.271 -30.771 12.836 1.00 14.43 C +ATOM 1837 C VAL A 223 24.915 -30.052 14.136 1.00 14.50 C +ATOM 1838 O VAL A 223 25.208 -28.874 14.284 1.00 14.78 O +ATOM 1839 CB VAL A 223 25.266 -29.806 11.623 1.00 14.39 C +ATOM 1840 CG1 VAL A 223 25.947 -30.469 10.416 1.00 15.49 C +ATOM 1841 CG2 VAL A 223 23.823 -29.353 11.307 1.00 15.65 C +ATOM 1842 N ALA A 224 24.334 -30.782 15.089 1.00 16.15 N +ATOM 1843 CA ALA A 224 23.960 -30.206 16.384 1.00 16.70 C +ATOM 1844 C ALA A 224 25.196 -29.692 17.095 1.00 17.35 C +ATOM 1845 O ALA A 224 26.255 -30.321 17.064 1.00 17.95 O +ATOM 1846 CB ALA A 224 23.281 -31.264 17.253 1.00 18.95 C +ATOM 1847 N GLY A 225 25.049 -28.531 17.729 1.00 17.39 N +ATOM 1848 CA GLY A 225 26.142 -27.949 18.494 1.00 18.29 C +ATOM 1849 C GLY A 225 25.783 -26.543 18.881 1.00 18.27 C +ATOM 1850 O GLY A 225 24.690 -26.108 18.606 1.00 21.57 O +ATOM 1851 N GLU A 226 26.699 -25.818 19.485 1.00 19.30 N +ATOM 1852 CA GLU A 226 26.403 -24.479 19.982 1.00 20.06 C +ATOM 1853 C GLU A 226 27.301 -23.452 19.354 1.00 19.91 C +ATOM 1854 O GLU A 226 28.044 -22.744 20.028 1.00 21.33 O +ATOM 1855 CB GLU A 226 26.454 -24.471 21.496 1.00 21.49 C +ATOM 1856 CG GLU A 226 25.541 -25.529 22.025 1.00 24.90 C +ATOM 1857 CD GLU A 226 24.033 -25.313 21.795 1.00 27.66 C +ATOM 1858 OE1 GLU A 226 23.532 -24.153 21.827 1.00 29.45 O +ATOM 1859 OE2 GLU A 226 23.334 -26.349 21.625 1.00 30.28 O +ATOM 1860 N GLY A 227 27.177 -23.348 18.037 1.00 19.55 N +ATOM 1861 CA GLY A 227 27.889 -22.349 17.274 1.00 18.80 C +ATOM 1862 C GLY A 227 27.451 -20.930 17.536 1.00 17.59 C +ATOM 1863 O GLY A 227 26.360 -20.674 18.023 1.00 15.93 O +ATOM 1864 N SER A 228 28.345 -20.016 17.230 1.00 16.86 N +ATOM 1865 CA SER A 228 28.010 -18.596 17.159 1.00 16.45 C +ATOM 1866 C SER A 228 28.814 -17.957 16.037 1.00 14.22 C +ATOM 1867 O SER A 228 29.838 -18.502 15.584 1.00 14.93 O +ATOM 1868 CB SER A 228 28.304 -17.878 18.470 1.00 18.30 C +ATOM 1869 OG SER A 228 29.650 -17.610 18.630 1.00 20.58 O +ATOM 1870 N MET A 229 28.387 -16.774 15.622 1.00 13.29 N +ATOM 1871 CA MET A 229 29.105 -16.076 14.565 1.00 13.88 C +ATOM 1872 C MET A 229 30.493 -15.645 14.988 1.00 14.33 C +ATOM 1873 O MET A 229 31.334 -15.431 14.135 1.00 13.80 O +ATOM 1874 CB MET A 229 28.318 -14.893 14.015 1.00 14.13 C +ATOM 1875 CG MET A 229 27.044 -15.311 13.313 1.00 13.90 C +ATOM 1876 SD MET A 229 27.285 -16.409 11.905 1.00 13.77 S +ATOM 1877 CE MET A 229 28.452 -15.493 10.900 1.00 13.39 C +ATOM 1878 N AGLU A 230 30.732 -15.568 16.301 0.50 14.72 N +ATOM 1879 N BGLU A 230 30.775 -15.554 16.279 0.50 14.81 N +ATOM 1880 CA AGLU A 230 32.061 -15.224 16.833 0.50 15.40 C +ATOM 1881 CA BGLU A 230 32.122 -15.134 16.678 0.50 15.96 C +ATOM 1882 C AGLU A 230 33.126 -16.172 16.283 0.50 14.81 C +ATOM 1883 C BGLU A 230 33.172 -16.213 16.355 0.50 15.00 C +ATOM 1884 O AGLU A 230 34.258 -15.758 16.023 0.50 15.38 O +ATOM 1885 O BGLU A 230 34.361 -15.956 16.370 0.50 15.14 O +ATOM 1886 CB AGLU A 230 32.073 -15.221 18.388 0.50 15.73 C +ATOM 1887 CB BGLU A 230 32.158 -14.752 18.161 0.50 16.48 C +ATOM 1888 CG AGLU A 230 33.397 -14.689 19.012 0.50 15.81 C +ATOM 1889 CG BGLU A 230 33.332 -13.880 18.559 0.50 18.52 C +ATOM 1890 CD AGLU A 230 33.256 -14.036 20.400 0.50 18.06 C +ATOM 1891 CD BGLU A 230 33.572 -13.835 20.056 0.50 19.69 C +ATOM 1892 OE1AGLU A 230 32.130 -13.786 20.848 0.50 21.64 O +ATOM 1893 OE1BGLU A 230 33.930 -12.747 20.552 0.50 23.74 O +ATOM 1894 OE2AGLU A 230 34.302 -13.758 21.032 0.50 20.21 O +ATOM 1895 OE2BGLU A 230 33.423 -14.884 20.737 0.50 22.61 O +ATOM 1896 N GLU A 231 32.747 -17.435 16.057 1.00 14.19 N +ATOM 1897 CA GLU A 231 33.677 -18.453 15.553 1.00 15.41 C +ATOM 1898 C GLU A 231 34.039 -18.240 14.091 1.00 14.44 C +ATOM 1899 O GLU A 231 35.043 -18.781 13.625 1.00 15.50 O +ATOM 1900 CB GLU A 231 33.099 -19.850 15.680 1.00 16.26 C +ATOM 1901 CG GLU A 231 32.829 -20.282 17.099 1.00 18.63 C +ATOM 1902 CD GLU A 231 32.230 -21.652 17.145 1.00 19.54 C +ATOM 1903 OE1 GLU A 231 32.788 -22.587 16.521 1.00 21.43 O +ATOM 1904 OE2 GLU A 231 31.195 -21.790 17.800 1.00 23.16 O +ATOM 1905 N ILE A 232 33.186 -17.518 13.361 1.00 13.94 N +ATOM 1906 CA ILE A 232 33.315 -17.356 11.915 1.00 13.60 C +ATOM 1907 C ILE A 232 34.013 -16.064 11.562 1.00 13.83 C +ATOM 1908 O ILE A 232 34.890 -16.059 10.719 1.00 14.80 O +ATOM 1909 CB ILE A 232 31.934 -17.472 11.215 1.00 13.98 C +ATOM 1910 CG1 ILE A 232 31.381 -18.877 11.443 1.00 14.01 C +ATOM 1911 CG2 ILE A 232 32.057 -17.138 9.726 1.00 15.70 C +ATOM 1912 CD1 ILE A 232 30.010 -19.096 10.907 1.00 15.07 C +ATOM 1913 N TYR A 233 33.612 -14.942 12.138 1.00 13.74 N +ATOM 1914 CA TYR A 233 34.184 -13.679 11.734 1.00 14.54 C +ATOM 1915 C TYR A 233 35.633 -13.591 12.207 1.00 16.03 C +ATOM 1916 O TYR A 233 35.938 -13.892 13.357 1.00 17.18 O +ATOM 1917 CB TYR A 233 33.388 -12.512 12.310 1.00 14.79 C +ATOM 1918 CG TYR A 233 31.979 -12.408 11.770 1.00 13.50 C +ATOM 1919 CD1 TYR A 233 31.704 -12.587 10.404 1.00 15.58 C +ATOM 1920 CD2 TYR A 233 30.933 -12.081 12.595 1.00 14.25 C +ATOM 1921 CE1 TYR A 233 30.430 -12.480 9.918 1.00 16.93 C +ATOM 1922 CE2 TYR A 233 29.620 -11.938 12.090 1.00 14.41 C +ATOM 1923 CZ TYR A 233 29.399 -12.141 10.751 1.00 15.18 C +ATOM 1924 OH TYR A 233 28.141 -12.024 10.198 1.00 17.00 O +ATOM 1925 N ARG A 234 36.533 -13.232 11.304 1.00 17.42 N +ATOM 1926 CA ARG A 234 37.917 -12.942 11.682 1.00 18.77 C +ATOM 1927 C ARG A 234 37.991 -11.669 12.485 1.00 20.22 C +ATOM 1928 O ARG A 234 37.329 -10.662 12.201 1.00 20.87 O +ATOM 1929 CB ARG A 234 38.766 -12.742 10.442 1.00 18.72 C +ATOM 1930 CG ARG A 234 39.048 -14.024 9.740 1.00 21.17 C +ATOM 1931 CD ARG A 234 40.271 -13.934 8.881 1.00 25.13 C +ATOM 1932 NE ARG A 234 40.656 -15.280 8.463 1.00 25.86 N +ATOM 1933 CZ ARG A 234 40.432 -15.781 7.260 1.00 28.28 C +ATOM 1934 NH1 ARG A 234 39.817 -15.061 6.335 1.00 28.83 N +ATOM 1935 NH2 ARG A 234 40.795 -17.029 6.994 1.00 29.89 N +ATOM 1936 N SER A 235 38.862 -11.691 13.479 1.00 21.95 N +ATOM 1937 CA SER A 235 39.167 -10.485 14.221 1.00 24.28 C +ATOM 1938 C SER A 235 40.056 -9.583 13.351 1.00 25.05 C +ATOM 1939 O SER A 235 40.681 -10.006 12.370 1.00 24.05 O +ATOM 1940 CB SER A 235 39.895 -10.820 15.516 1.00 25.11 C +ATOM 1941 OG SER A 235 41.196 -11.284 15.203 1.00 27.30 O +ATOM 1942 N GLU A 236 40.085 -8.310 13.705 1.00 28.24 N +ATOM 1943 CA GLU A 236 40.944 -7.350 13.043 1.00 30.70 C +ATOM 1944 C GLU A 236 42.400 -7.821 13.106 1.00 30.89 C +ATOM 1945 O GLU A 236 43.100 -7.768 12.105 1.00 31.12 O +ATOM 1946 CB GLU A 236 40.764 -5.989 13.723 1.00 31.11 C +ATOM 1947 CG GLU A 236 41.388 -4.833 13.017 1.00 32.41 C +ATOM 1948 CD GLU A 236 40.897 -3.490 13.544 1.00 33.43 C +ATOM 1949 OE1 GLU A 236 40.474 -3.425 14.720 1.00 37.02 O +ATOM 1950 OE2 GLU A 236 40.946 -2.492 12.785 1.00 37.53 O +ATOM 1951 N GLU A 237 42.826 -8.334 14.263 1.00 31.73 N +ATOM 1952 CA GLU A 237 44.209 -8.839 14.428 1.00 32.38 C +ATOM 1953 C GLU A 237 44.549 -9.977 13.466 1.00 31.81 C +ATOM 1954 O GLU A 237 45.711 -10.163 13.098 1.00 33.00 O +ATOM 1955 CB GLU A 237 44.506 -9.264 15.894 1.00 32.69 C +ATOM 1956 CG GLU A 237 43.816 -10.541 16.433 1.00 34.06 C +ATOM 1957 CD GLU A 237 44.225 -10.921 17.873 1.00 34.82 C +ATOM 1958 OE1 GLU A 237 45.183 -10.335 18.419 1.00 39.37 O +ATOM 1959 OE2 GLU A 237 43.604 -11.835 18.471 1.00 37.13 O +ATOM 1960 N GLU A 238 43.541 -10.750 13.076 1.00 30.66 N +ATOM 1961 CA GLU A 238 43.731 -11.877 12.172 1.00 29.21 C +ATOM 1962 C GLU A 238 43.714 -11.518 10.696 1.00 28.83 C +ATOM 1963 O GLU A 238 44.379 -12.179 9.905 1.00 30.21 O +ATOM 1964 CB GLU A 238 42.615 -12.899 12.379 1.00 29.04 C +ATOM 1965 CG GLU A 238 42.749 -13.714 13.638 1.00 28.08 C +ATOM 1966 CD GLU A 238 41.462 -14.399 13.961 1.00 26.44 C +ATOM 1967 OE1 GLU A 238 40.608 -13.741 14.561 1.00 22.96 O +ATOM 1968 OE2 GLU A 238 41.314 -15.590 13.610 1.00 25.93 O +ATOM 1969 N ASP A 239 42.950 -10.493 10.323 1.00 27.62 N +ATOM 1970 CA ASP A 239 42.492 -10.331 8.948 1.00 26.20 C +ATOM 1971 C ASP A 239 43.444 -9.494 8.083 1.00 26.20 C +ATOM 1972 O ASP A 239 43.333 -8.273 7.984 1.00 25.16 O +ATOM 1973 CB ASP A 239 41.067 -9.745 8.960 1.00 25.50 C +ATOM 1974 CG ASP A 239 40.345 -9.899 7.630 1.00 25.02 C +ATOM 1975 OD1 ASP A 239 41.007 -9.964 6.574 1.00 23.95 O +ATOM 1976 OD2 ASP A 239 39.092 -9.939 7.647 1.00 24.99 O +ATOM 1977 N VAL A 240 44.336 -10.203 7.413 1.00 26.17 N +ATOM 1978 CA VAL A 240 45.381 -9.620 6.567 1.00 26.90 C +ATOM 1979 C VAL A 240 44.777 -8.860 5.372 1.00 26.60 C +ATOM 1980 O VAL A 240 45.278 -7.799 4.959 1.00 26.82 O +ATOM 1981 CB VAL A 240 46.372 -10.737 6.058 1.00 27.34 C +ATOM 1982 CG1 VAL A 240 46.256 -12.030 6.878 1.00 28.61 C +ATOM 1983 CG2 VAL A 240 46.115 -11.076 4.618 1.00 29.75 C +ATOM 1984 N ILE A 241 43.677 -9.381 4.828 1.00 25.93 N +ATOM 1985 CA ILE A 241 43.065 -8.799 3.638 1.00 25.57 C +ATOM 1986 C ILE A 241 42.340 -7.494 3.971 1.00 25.27 C +ATOM 1987 O ILE A 241 42.494 -6.500 3.257 1.00 24.94 O +ATOM 1988 CB ILE A 241 42.115 -9.798 2.931 1.00 25.82 C +ATOM 1989 CG1 ILE A 241 42.924 -11.008 2.428 1.00 26.85 C +ATOM 1990 CG2 ILE A 241 41.377 -9.114 1.799 1.00 24.23 C +ATOM 1991 CD1 ILE A 241 42.073 -12.113 1.828 1.00 27.34 C +ATOM 1992 N ARG A 242 41.559 -7.502 5.052 1.00 24.72 N +ATOM 1993 CA ARG A 242 40.913 -6.285 5.568 1.00 25.20 C +ATOM 1994 C ARG A 242 41.939 -5.177 5.824 1.00 25.29 C +ATOM 1995 O ARG A 242 41.713 -4.014 5.477 1.00 24.83 O +ATOM 1996 CB ARG A 242 40.175 -6.633 6.863 1.00 24.80 C +ATOM 1997 CG ARG A 242 39.513 -5.514 7.624 1.00 25.29 C +ATOM 1998 CD ARG A 242 38.835 -6.125 8.851 1.00 26.51 C +ATOM 1999 NE ARG A 242 38.408 -5.141 9.846 1.00 28.90 N +ATOM 2000 CZ ARG A 242 37.862 -5.472 11.012 1.00 28.70 C +ATOM 2001 NH1 ARG A 242 37.692 -6.751 11.322 1.00 28.73 N +ATOM 2002 NH2 ARG A 242 37.487 -4.530 11.875 1.00 29.65 N +ATOM 2003 N ARG A 243 43.061 -5.542 6.434 1.00 26.30 N +ATOM 2004 CA ARG A 243 44.124 -4.579 6.741 1.00 27.71 C +ATOM 2005 C ARG A 243 44.681 -3.963 5.460 1.00 27.82 C +ATOM 2006 O ARG A 243 44.882 -2.742 5.385 1.00 27.30 O +ATOM 2007 CB ARG A 243 45.231 -5.266 7.537 1.00 28.57 C +ATOM 2008 CG ARG A 243 46.203 -4.328 8.246 1.00 31.85 C +ATOM 2009 CD ARG A 243 46.528 -4.861 9.642 1.00 37.18 C +ATOM 2010 NE ARG A 243 47.145 -6.189 9.589 1.00 39.49 N +ATOM 2011 CZ ARG A 243 46.839 -7.227 10.371 1.00 40.88 C +ATOM 2012 NH1 ARG A 243 47.490 -8.370 10.207 1.00 41.02 N +ATOM 2013 NH2 ARG A 243 45.882 -7.157 11.298 1.00 41.85 N +ATOM 2014 N ACYS A 244 44.941 -4.808 4.465 0.50 27.76 N +ATOM 2015 N BCYS A 244 44.936 -4.792 4.452 0.50 27.99 N +ATOM 2016 CA ACYS A 244 45.383 -4.359 3.143 0.50 28.04 C +ATOM 2017 CA BCYS A 244 45.410 -4.295 3.159 0.50 28.10 C +ATOM 2018 C ACYS A 244 44.415 -3.350 2.526 0.50 28.33 C +ATOM 2019 C BCYS A 244 44.411 -3.329 2.521 0.50 28.42 C +ATOM 2020 O ACYS A 244 44.833 -2.302 2.021 0.50 28.47 O +ATOM 2021 O BCYS A 244 44.805 -2.284 1.988 0.50 28.48 O +ATOM 2022 CB ACYS A 244 45.554 -5.557 2.202 0.50 28.15 C +ATOM 2023 CB BCYS A 244 45.711 -5.447 2.200 0.50 28.48 C +ATOM 2024 SG ACYS A 244 47.077 -6.482 2.480 0.50 29.87 S +ATOM 2025 SG BCYS A 244 46.120 -4.914 0.523 0.50 28.73 S +ATOM 2026 N LEU A 245 43.122 -3.665 2.577 1.00 28.51 N +ATOM 2027 CA LEU A 245 42.084 -2.792 2.028 1.00 28.97 C +ATOM 2028 C LEU A 245 42.085 -1.408 2.700 1.00 30.50 C +ATOM 2029 O LEU A 245 42.011 -0.373 2.020 1.00 30.53 O +ATOM 2030 CB LEU A 245 40.709 -3.460 2.135 1.00 28.47 C +ATOM 2031 CG LEU A 245 40.548 -4.657 1.195 1.00 27.16 C +ATOM 2032 CD1 LEU A 245 39.234 -5.382 1.473 1.00 26.98 C +ATOM 2033 CD2 LEU A 245 40.623 -4.239 -0.274 1.00 28.90 C +ATOM 2034 N LYS A 246 42.216 -1.393 4.020 1.00 32.22 N +ATOM 2035 CA LYS A 246 42.304 -0.133 4.758 1.00 34.73 C +ATOM 2036 C LYS A 246 43.522 0.694 4.329 1.00 35.37 C +ATOM 2037 O LYS A 246 43.410 1.916 4.186 1.00 36.37 O +ATOM 2038 CB LYS A 246 42.314 -0.401 6.263 1.00 34.54 C +ATOM 2039 CG LYS A 246 40.966 -0.915 6.777 1.00 35.62 C +ATOM 2040 CD LYS A 246 41.082 -1.646 8.101 1.00 36.32 C +ATOM 2041 CE LYS A 246 41.734 -0.792 9.175 1.00 37.96 C +ATOM 2042 NZ LYS A 246 41.130 -1.050 10.523 1.00 38.98 N +ATOM 2043 N ARG A 247 44.667 0.050 4.105 1.00 36.20 N +ATOM 2044 CA ARG A 247 45.846 0.753 3.548 1.00 37.26 C +ATOM 2045 C ARG A 247 45.576 1.302 2.141 1.00 37.83 C +ATOM 2046 O ARG A 247 45.941 2.443 1.825 1.00 38.35 O +ATOM 2047 CB ARG A 247 47.059 -0.170 3.478 1.00 37.54 C +ATOM 2048 CG ARG A 247 47.627 -0.581 4.821 1.00 38.86 C +ATOM 2049 CD ARG A 247 48.536 -1.800 4.684 1.00 40.26 C +ATOM 2050 NE ARG A 247 49.564 -1.623 3.656 1.00 42.67 N +ATOM 2051 CZ ARG A 247 50.432 -2.566 3.277 1.00 43.52 C +ATOM 2052 NH1 ARG A 247 51.323 -2.298 2.330 1.00 43.49 N +ATOM 2053 NH2 ARG A 247 50.423 -3.777 3.833 1.00 44.89 N +ATOM 2054 N ACYS A 248 44.938 0.467 1.323 0.50 38.33 N +ATOM 2055 N BCYS A 248 44.952 0.496 1.287 0.50 37.35 N +ATOM 2056 CA ACYS A 248 44.543 0.798 -0.051 0.50 38.59 C +ATOM 2057 CA BCYS A 248 44.627 0.941 -0.070 0.50 37.06 C +ATOM 2058 C ACYS A 248 43.611 2.021 -0.088 0.50 38.84 C +ATOM 2059 C BCYS A 248 43.634 2.100 -0.071 0.50 37.99 C +ATOM 2060 O ACYS A 248 43.690 2.842 -1.001 0.50 39.05 O +ATOM 2061 O BCYS A 248 43.686 2.962 -0.950 0.50 38.19 O +ATOM 2062 CB ACYS A 248 43.850 -0.423 -0.692 0.50 38.72 C +ATOM 2063 CB BCYS A 248 44.075 -0.205 -0.914 0.50 36.49 C +ATOM 2064 SG ACYS A 248 44.024 -0.626 -2.489 0.50 38.98 S +ATOM 2065 SG BCYS A 248 45.298 -1.434 -1.369 0.50 33.04 S +ATOM 2066 N LEU A 249 42.737 2.129 0.913 1.00 38.91 N +ATOM 2067 CA LEU A 249 41.780 3.234 1.031 1.00 39.52 C +ATOM 2068 C LEU A 249 42.469 4.512 1.533 1.00 40.14 C +ATOM 2069 O LEU A 249 43.472 4.453 2.260 1.00 40.91 O +ATOM 2070 CB LEU A 249 40.642 2.851 1.981 1.00 39.68 C +ATOM 2071 CG LEU A 249 39.373 3.703 1.894 1.00 39.54 C +ATOM 2072 CD1 LEU A 249 38.562 3.330 0.660 1.00 38.99 C +ATOM 2073 CD2 LEU A 249 38.539 3.536 3.152 1.00 39.91 C +ATOM 2075 N MET B 1 8.770 -29.029 -4.024 1.00 31.03 N +ATOM 2076 CA MET B 1 10.092 -28.650 -4.600 1.00 29.99 C +ATOM 2077 C MET B 1 11.227 -29.273 -3.788 1.00 28.93 C +ATOM 2078 O MET B 1 12.199 -28.590 -3.460 1.00 28.99 O +ATOM 2079 CB MET B 1 10.233 -27.131 -4.619 1.00 30.61 C +ATOM 2080 N ARG B 2 11.108 -30.570 -3.482 1.00 27.13 N +ATOM 2081 CA ARG B 2 12.039 -31.231 -2.561 1.00 26.04 C +ATOM 2082 C ARG B 2 13.296 -31.767 -3.230 1.00 22.42 C +ATOM 2083 O ARG B 2 13.282 -32.270 -4.351 1.00 22.83 O +ATOM 2084 CB ARG B 2 11.355 -32.347 -1.790 1.00 26.44 C +ATOM 2085 CG ARG B 2 10.235 -31.835 -0.902 1.00 28.63 C +ATOM 2086 CD ARG B 2 9.960 -32.717 0.288 1.00 29.60 C +ATOM 2087 NE ARG B 2 8.925 -32.093 1.121 1.00 32.22 N +ATOM 2088 CZ ARG B 2 8.753 -32.304 2.422 1.00 30.93 C +ATOM 2089 NH1 ARG B 2 9.543 -33.131 3.090 1.00 31.05 N +ATOM 2090 NH2 ARG B 2 7.777 -31.667 3.056 1.00 32.31 N +ATOM 2091 N VAL B 3 14.387 -31.626 -2.518 1.00 17.27 N +ATOM 2092 CA VAL B 3 15.708 -31.939 -3.026 1.00 14.89 C +ATOM 2093 C VAL B 3 16.282 -33.030 -2.139 1.00 14.36 C +ATOM 2094 O VAL B 3 16.069 -33.019 -0.932 1.00 15.64 O +ATOM 2095 CB VAL B 3 16.559 -30.646 -2.997 1.00 14.26 C +ATOM 2096 CG1 VAL B 3 17.999 -30.945 -3.292 1.00 16.97 C +ATOM 2097 CG2 VAL B 3 15.965 -29.598 -3.940 1.00 16.52 C +ATOM 2098 N GLU B 4 16.977 -33.978 -2.748 1.00 13.79 N +ATOM 2099 CA GLU B 4 17.656 -35.059 -2.049 1.00 15.08 C +ATOM 2100 C GLU B 4 19.133 -34.984 -2.364 1.00 12.97 C +ATOM 2101 O GLU B 4 19.511 -34.753 -3.512 1.00 14.25 O +ATOM 2102 CB GLU B 4 17.122 -36.428 -2.485 1.00 16.22 C +ATOM 2103 CG GLU B 4 15.618 -36.586 -2.368 1.00 20.44 C +ATOM 2104 CD GLU B 4 15.156 -37.930 -2.900 1.00 23.58 C +ATOM 2105 OE1 GLU B 4 14.905 -38.053 -4.119 1.00 31.71 O +ATOM 2106 OE2 GLU B 4 15.024 -38.850 -2.084 1.00 31.79 O +ATOM 2107 N VAL B 5 19.964 -35.176 -1.360 1.00 12.45 N +ATOM 2108 CA VAL B 5 21.420 -35.141 -1.513 1.00 13.13 C +ATOM 2109 C VAL B 5 21.988 -36.377 -0.855 1.00 13.85 C +ATOM 2110 O VAL B 5 21.690 -36.674 0.302 1.00 14.90 O +ATOM 2111 CB VAL B 5 22.006 -33.871 -0.907 1.00 12.72 C +ATOM 2112 CG1 VAL B 5 23.493 -33.761 -1.229 1.00 14.58 C +ATOM 2113 CG2 VAL B 5 21.254 -32.617 -1.419 1.00 13.82 C +ATOM 2114 N PHE B 6 22.819 -37.120 -1.573 1.00 14.15 N +ATOM 2115 CA PHE B 6 23.363 -38.330 -0.975 1.00 14.35 C +ATOM 2116 C PHE B 6 24.781 -38.609 -1.418 1.00 13.88 C +ATOM 2117 O PHE B 6 25.173 -38.306 -2.564 1.00 13.05 O +ATOM 2118 CB PHE B 6 22.432 -39.509 -1.202 1.00 16.70 C +ATOM 2119 CG PHE B 6 22.152 -39.808 -2.654 1.00 16.44 C +ATOM 2120 CD1 PHE B 6 21.074 -39.216 -3.283 1.00 18.95 C +ATOM 2121 CD2 PHE B 6 22.907 -40.724 -3.360 1.00 18.74 C +ATOM 2122 CE1 PHE B 6 20.798 -39.469 -4.608 1.00 19.79 C +ATOM 2123 CE2 PHE B 6 22.613 -41.011 -4.676 1.00 19.31 C +ATOM 2124 CZ PHE B 6 21.549 -40.390 -5.292 1.00 19.61 C +ATOM 2125 N PRO B 7 25.548 -39.219 -0.512 1.00 13.76 N +ATOM 2126 CA PRO B 7 26.936 -39.517 -0.824 1.00 14.19 C +ATOM 2127 C PRO B 7 27.025 -40.747 -1.697 1.00 13.33 C +ATOM 2128 O PRO B 7 26.176 -41.631 -1.659 1.00 15.93 O +ATOM 2129 CB PRO B 7 27.538 -39.827 0.557 1.00 16.04 C +ATOM 2130 CG PRO B 7 26.442 -40.404 1.310 1.00 16.97 C +ATOM 2131 CD PRO B 7 25.189 -39.654 0.859 1.00 15.78 C +ATOM 2132 N VAL B 8 28.080 -40.808 -2.488 1.00 13.46 N +ATOM 2133 CA VAL B 8 28.428 -42.008 -3.232 1.00 14.28 C +ATOM 2134 C VAL B 8 29.437 -42.769 -2.390 1.00 14.66 C +ATOM 2135 O VAL B 8 30.553 -42.299 -2.162 1.00 14.92 O +ATOM 2136 CB VAL B 8 29.007 -41.687 -4.621 1.00 13.37 C +ATOM 2137 CG1 VAL B 8 29.247 -42.978 -5.399 1.00 15.53 C +ATOM 2138 CG2 VAL B 8 28.043 -40.777 -5.403 1.00 15.18 C +ATOM 2139 N GLU B 9 29.004 -43.909 -1.883 1.00 17.57 N +ATOM 2140 CA GLU B 9 29.807 -44.691 -0.941 1.00 18.50 C +ATOM 2141 C GLU B 9 30.496 -45.853 -1.635 1.00 17.72 C +ATOM 2142 O GLU B 9 30.082 -46.289 -2.713 1.00 17.86 O +ATOM 2143 CB GLU B 9 28.927 -45.224 0.207 1.00 19.53 C +ATOM 2144 CG GLU B 9 28.281 -44.107 1.027 1.00 22.44 C +ATOM 2145 CD GLU B 9 27.513 -44.601 2.229 1.00 25.03 C +ATOM 2146 OE1 GLU B 9 28.142 -44.896 3.286 1.00 32.99 O +ATOM 2147 OE2 GLU B 9 26.279 -44.693 2.104 1.00 32.70 O +ATOM 2148 N GLY B 10 31.573 -46.304 -1.009 1.00 17.04 N +ATOM 2149 CA GLY B 10 32.291 -47.509 -1.416 1.00 17.11 C +ATOM 2150 C GLY B 10 33.290 -47.375 -2.540 1.00 16.45 C +ATOM 2151 O GLY B 10 33.772 -48.392 -3.065 1.00 18.50 O +ATOM 2152 N LEU B 11 33.594 -46.156 -2.974 1.00 15.20 N +ATOM 2153 CA LEU B 11 34.600 -45.971 -4.010 1.00 15.53 C +ATOM 2154 C LEU B 11 35.984 -46.325 -3.456 1.00 15.16 C +ATOM 2155 O LEU B 11 36.281 -46.083 -2.273 1.00 15.81 O +ATOM 2156 CB LEU B 11 34.555 -44.520 -4.511 1.00 14.88 C +ATOM 2157 CG LEU B 11 33.289 -44.198 -5.339 1.00 15.58 C +ATOM 2158 CD1 LEU B 11 33.054 -42.712 -5.452 1.00 16.06 C +ATOM 2159 CD2 LEU B 11 33.429 -44.782 -6.755 1.00 18.06 C +ATOM 2160 N PRO B 12 36.831 -46.904 -4.300 1.00 15.77 N +ATOM 2161 CA PRO B 12 38.158 -47.317 -3.879 1.00 16.20 C +ATOM 2162 C PRO B 12 39.100 -46.138 -3.726 1.00 15.51 C +ATOM 2163 O PRO B 12 38.715 -45.003 -4.042 1.00 14.66 O +ATOM 2164 CB PRO B 12 38.622 -48.188 -5.059 1.00 17.56 C +ATOM 2165 CG PRO B 12 37.928 -47.606 -6.230 1.00 17.06 C +ATOM 2166 CD PRO B 12 36.576 -47.257 -5.717 1.00 15.94 C +ATOM 2167 N LEU B 13 40.330 -46.379 -3.273 1.00 15.44 N +ATOM 2168 CA LEU B 13 41.410 -45.414 -3.402 1.00 15.90 C +ATOM 2169 C LEU B 13 41.714 -45.266 -4.889 1.00 15.48 C +ATOM 2170 O LEU B 13 41.992 -46.249 -5.582 1.00 17.77 O +ATOM 2171 CB LEU B 13 42.669 -45.845 -2.631 1.00 17.56 C +ATOM 2172 CG LEU B 13 42.520 -45.948 -1.111 1.00 18.22 C +ATOM 2173 CD1 LEU B 13 43.821 -46.496 -0.528 1.00 21.00 C +ATOM 2174 CD2 LEU B 13 42.179 -44.583 -0.497 1.00 21.45 C +ATOM 2175 N ILE B 14 41.647 -44.042 -5.381 1.00 14.27 N +ATOM 2176 CA ILE B 14 41.768 -43.759 -6.798 1.00 14.26 C +ATOM 2177 C ILE B 14 43.225 -43.664 -7.190 1.00 15.32 C +ATOM 2178 O ILE B 14 44.045 -43.127 -6.461 1.00 16.42 O +ATOM 2179 CB ILE B 14 41.002 -42.451 -7.146 1.00 13.03 C +ATOM 2180 CG1 ILE B 14 39.503 -42.598 -6.817 1.00 12.66 C +ATOM 2181 CG2 ILE B 14 41.192 -42.032 -8.613 1.00 13.92 C +ATOM 2182 CD1 ILE B 14 38.804 -43.797 -7.432 1.00 13.62 C +ATOM 2183 N LYS B 15 43.521 -44.196 -8.360 1.00 16.43 N +ATOM 2184 CA LYS B 15 44.877 -44.120 -8.899 1.00 17.30 C +ATOM 2185 C LYS B 15 44.817 -43.737 -10.376 1.00 15.64 C +ATOM 2186 O LYS B 15 43.742 -43.655 -10.988 1.00 15.16 O +ATOM 2187 CB LYS B 15 45.627 -45.436 -8.706 1.00 19.65 C +ATOM 2188 CG LYS B 15 44.993 -46.529 -9.473 1.00 20.30 C +ATOM 2189 CD LYS B 15 45.664 -47.862 -9.336 1.00 22.58 C +ATOM 2190 CE LYS B 15 44.952 -48.888 -10.187 1.00 26.18 C +ATOM 2191 NZ LYS B 15 43.450 -49.024 -9.967 1.00 25.72 N +ATOM 2192 N GLU B 16 45.984 -43.434 -10.929 1.00 16.25 N +ATOM 2193 CA GLU B 16 46.102 -42.952 -12.272 1.00 16.48 C +ATOM 2194 C GLU B 16 45.471 -43.942 -13.219 1.00 16.51 C +ATOM 2195 O GLU B 16 45.710 -45.158 -13.134 1.00 17.42 O +ATOM 2196 CB GLU B 16 47.577 -42.708 -12.638 1.00 17.07 C +ATOM 2197 CG GLU B 16 47.742 -42.108 -14.030 1.00 19.31 C +ATOM 2198 CD GLU B 16 49.172 -41.692 -14.350 1.00 20.90 C +ATOM 2199 OE1 GLU B 16 50.068 -41.929 -13.521 1.00 25.64 O +ATOM 2200 OE2 GLU B 16 49.369 -41.105 -15.422 1.00 25.63 O +ATOM 2201 N GLY B 17 44.629 -43.423 -14.092 1.00 15.97 N +ATOM 2202 CA GLY B 17 43.991 -44.242 -15.106 1.00 16.16 C +ATOM 2203 C GLY B 17 42.607 -44.752 -14.765 1.00 16.80 C +ATOM 2204 O GLY B 17 41.905 -45.234 -15.645 1.00 18.02 O +ATOM 2205 N ASP B 18 42.193 -44.639 -13.509 1.00 16.07 N +ATOM 2206 CA ASP B 18 40.863 -45.067 -13.114 1.00 16.26 C +ATOM 2207 C ASP B 18 39.802 -44.261 -13.862 1.00 16.29 C +ATOM 2208 O ASP B 18 39.968 -43.078 -14.133 1.00 17.27 O +ATOM 2209 CB ASP B 18 40.691 -44.882 -11.608 1.00 16.50 C +ATOM 2210 CG ASP B 18 41.408 -45.915 -10.798 1.00 19.02 C +ATOM 2211 OD1 ASP B 18 41.906 -46.920 -11.382 1.00 21.28 O +ATOM 2212 OD2 ASP B 18 41.444 -45.750 -9.556 1.00 20.25 O +ATOM 2213 N ASP B 19 38.691 -44.922 -14.178 1.00 16.48 N +ATOM 2214 CA ASP B 19 37.566 -44.322 -14.879 1.00 16.25 C +ATOM 2215 C ASP B 19 36.480 -43.963 -13.853 1.00 15.10 C +ATOM 2216 O ASP B 19 35.671 -44.801 -13.414 1.00 15.11 O +ATOM 2217 CB ASP B 19 37.072 -45.293 -15.962 1.00 17.27 C +ATOM 2218 CG ASP B 19 35.919 -44.742 -16.800 1.00 19.74 C +ATOM 2219 OD1 ASP B 19 35.210 -43.799 -16.406 1.00 20.13 O +ATOM 2220 OD2 ASP B 19 35.719 -45.295 -17.910 1.00 23.68 O +ATOM 2221 N LEU B 20 36.495 -42.712 -13.431 1.00 14.83 N +ATOM 2222 CA LEU B 20 35.580 -42.284 -12.380 1.00 13.94 C +ATOM 2223 C LEU B 20 34.118 -42.352 -12.806 1.00 13.50 C +ATOM 2224 O LEU B 20 33.247 -42.664 -12.006 1.00 13.08 O +ATOM 2225 CB LEU B 20 35.908 -40.862 -11.941 1.00 14.06 C +ATOM 2226 CG LEU B 20 37.263 -40.732 -11.249 1.00 16.17 C +ATOM 2227 CD1 LEU B 20 37.676 -39.283 -11.098 1.00 17.16 C +ATOM 2228 CD2 LEU B 20 37.255 -41.401 -9.881 1.00 18.74 C +ATOM 2229 N ALA B 21 33.831 -42.093 -14.079 1.00 13.71 N +ATOM 2230 CA ALA B 21 32.469 -42.242 -14.586 1.00 14.27 C +ATOM 2231 C ALA B 21 31.958 -43.664 -14.379 1.00 13.40 C +ATOM 2232 O ALA B 21 30.819 -43.877 -13.969 1.00 13.33 O +ATOM 2233 CB ALA B 21 32.418 -41.872 -16.066 1.00 15.63 C +ATOM 2234 N GLU B 22 32.778 -44.633 -14.727 1.00 13.58 N +ATOM 2235 CA GLU B 22 32.417 -46.034 -14.561 1.00 14.06 C +ATOM 2236 C GLU B 22 32.226 -46.370 -13.075 1.00 14.37 C +ATOM 2237 O GLU B 22 31.224 -46.980 -12.682 1.00 14.32 O +ATOM 2238 CB GLU B 22 33.516 -46.886 -15.155 1.00 15.24 C +ATOM 2239 CG GLU B 22 33.207 -48.333 -15.254 1.00 16.50 C +ATOM 2240 CD GLU B 22 32.399 -48.673 -16.507 1.00 18.76 C +ATOM 2241 OE1 GLU B 22 32.863 -48.456 -17.642 1.00 21.29 O +ATOM 2242 OE2 GLU B 22 31.312 -49.153 -16.318 1.00 22.07 O +ATOM 2243 N LEU B 23 33.189 -45.967 -12.251 1.00 13.08 N +ATOM 2244 CA LEU B 23 33.122 -46.265 -10.826 1.00 13.33 C +ATOM 2245 C LEU B 23 31.855 -45.672 -10.184 1.00 13.06 C +ATOM 2246 O LEU B 23 31.144 -46.319 -9.415 1.00 14.40 O +ATOM 2247 CB LEU B 23 34.388 -45.764 -10.104 1.00 13.98 C +ATOM 2248 CG LEU B 23 35.679 -46.514 -10.423 1.00 15.21 C +ATOM 2249 CD1 LEU B 23 36.866 -45.782 -9.875 1.00 18.40 C +ATOM 2250 CD2 LEU B 23 35.594 -47.916 -9.831 1.00 18.18 C +ATOM 2251 N ILE B 24 31.578 -44.421 -10.508 1.00 12.57 N +ATOM 2252 CA ILE B 24 30.443 -43.754 -9.918 1.00 12.43 C +ATOM 2253 C ILE B 24 29.115 -44.267 -10.445 1.00 12.66 C +ATOM 2254 O ILE B 24 28.220 -44.559 -9.679 1.00 12.70 O +ATOM 2255 CB ILE B 24 30.577 -42.236 -10.098 1.00 12.20 C +ATOM 2256 CG1 ILE B 24 31.798 -41.709 -9.304 1.00 12.44 C +ATOM 2257 CG2 ILE B 24 29.300 -41.497 -9.706 1.00 13.61 C +ATOM 2258 CD1 ILE B 24 32.187 -40.268 -9.641 1.00 12.18 C +ATOM 2259 N SER B 25 29.008 -44.441 -11.763 1.00 12.66 N +ATOM 2260 CA SER B 25 27.779 -44.963 -12.384 1.00 13.97 C +ATOM 2261 C SER B 25 27.432 -46.370 -11.897 1.00 14.08 C +ATOM 2262 O SER B 25 26.268 -46.721 -11.839 1.00 15.86 O +ATOM 2263 CB SER B 25 27.934 -44.980 -13.923 1.00 15.01 C +ATOM 2264 OG SER B 25 28.083 -43.655 -14.403 1.00 18.97 O +ATOM 2265 N ASER B 26 28.434 -47.161 -11.537 0.50 13.05 N +ATOM 2266 N BSER B 26 28.455 -47.162 -11.565 0.50 14.89 N +ATOM 2267 CA ASER B 26 28.173 -48.513 -11.061 0.50 12.48 C +ATOM 2268 CA BSER B 26 28.265 -48.513 -11.026 0.50 15.61 C +ATOM 2269 C ASER B 26 27.747 -48.548 -9.601 0.50 13.51 C +ATOM 2270 C BSER B 26 27.555 -48.490 -9.677 0.50 15.35 C +ATOM 2271 O ASER B 26 27.515 -49.637 -9.069 0.50 13.51 O +ATOM 2272 O BSER B 26 26.880 -49.460 -9.318 0.50 16.37 O +ATOM 2273 CB ASER B 26 29.399 -49.408 -11.274 0.50 11.84 C +ATOM 2274 CB BSER B 26 29.614 -49.234 -10.857 0.50 16.35 C +ATOM 2275 OG ASER B 26 30.480 -49.053 -10.414 0.50 12.07 O +ATOM 2276 OG BSER B 26 30.282 -49.463 -12.083 0.50 20.82 O +ATOM 2277 N ARG B 27 27.711 -47.382 -8.950 1.00 15.09 N +ATOM 2278 CA ARG B 27 27.263 -47.244 -7.561 1.00 15.37 C +ATOM 2279 C ARG B 27 26.045 -46.370 -7.351 1.00 17.30 C +ATOM 2280 O ARG B 27 25.545 -46.309 -6.218 1.00 20.48 O +ATOM 2281 CB ARG B 27 28.388 -46.697 -6.674 1.00 17.06 C +ATOM 2282 CG ARG B 27 29.543 -47.657 -6.539 1.00 18.11 C +ATOM 2283 CD ARG B 27 30.730 -47.010 -5.952 1.00 20.41 C +ATOM 2284 NE ARG B 27 31.737 -47.974 -5.565 1.00 21.93 N +ATOM 2285 CZ ARG B 27 32.597 -48.565 -6.389 1.00 22.52 C +ATOM 2286 NH1 ARG B 27 33.465 -49.426 -5.893 1.00 24.62 N +ATOM 2287 NH2 ARG B 27 32.597 -48.320 -7.700 1.00 22.62 N +ATOM 2288 N VAL B 28 25.565 -45.732 -8.398 1.00 15.93 N +ATOM 2289 CA VAL B 28 24.461 -44.751 -8.358 1.00 18.32 C +ATOM 2290 C VAL B 28 23.482 -45.034 -9.459 1.00 17.93 C +ATOM 2291 O VAL B 28 23.889 -45.318 -10.583 1.00 20.50 O +ATOM 2292 CB VAL B 28 24.960 -43.256 -8.696 1.00 19.70 C +ATOM 2293 CG1 VAL B 28 23.779 -42.269 -8.716 1.00 22.26 C +ATOM 2294 CG2 VAL B 28 25.994 -42.820 -7.738 1.00 21.03 C +ATOM 2295 N ARG B 29 22.199 -44.897 -9.169 1.00 17.56 N +ATOM 2296 CA ARG B 29 21.194 -44.800 -10.202 1.00 18.85 C +ATOM 2297 C ARG B 29 20.862 -43.343 -10.433 1.00 18.61 C +ATOM 2298 O ARG B 29 20.200 -42.725 -9.620 1.00 21.18 O +ATOM 2299 CB ARG B 29 19.944 -45.557 -9.782 1.00 18.98 C +ATOM 2300 CG ARG B 29 18.781 -45.453 -10.766 0.50 20.66 C +ATOM 2301 CD ARG B 29 17.510 -46.038 -10.193 0.50 22.59 C +ATOM 2302 NE ARG B 29 17.137 -45.405 -8.927 0.50 25.12 N +ATOM 2303 CZ ARG B 29 16.513 -44.234 -8.806 0.50 26.68 C +ATOM 2304 NH1 ARG B 29 16.175 -43.532 -9.880 0.50 26.74 N +ATOM 2305 NH2 ARG B 29 16.228 -43.763 -7.597 0.50 26.78 N +ATOM 2306 N PHE B 30 21.287 -42.816 -11.570 1.00 16.12 N +ATOM 2307 CA PHE B 30 21.049 -41.431 -11.903 1.00 15.49 C +ATOM 2308 C PHE B 30 19.673 -41.162 -12.488 1.00 15.76 C +ATOM 2309 O PHE B 30 19.025 -42.053 -13.042 1.00 17.57 O +ATOM 2310 CB PHE B 30 22.094 -40.980 -12.910 1.00 14.50 C +ATOM 2311 CG PHE B 30 23.476 -40.736 -12.324 1.00 13.76 C +ATOM 2312 CD1 PHE B 30 23.708 -39.655 -11.469 1.00 14.05 C +ATOM 2313 CD2 PHE B 30 24.530 -41.577 -12.606 1.00 14.62 C +ATOM 2314 CE1 PHE B 30 24.972 -39.407 -10.952 1.00 13.15 C +ATOM 2315 CE2 PHE B 30 25.794 -41.303 -12.099 1.00 14.71 C +ATOM 2316 CZ PHE B 30 26.003 -40.228 -11.252 1.00 13.95 C +ATOM 2317 N GLU B 31 19.271 -39.906 -12.417 1.00 15.61 N +ATOM 2318 CA GLU B 31 18.045 -39.382 -13.038 1.00 16.62 C +ATOM 2319 C GLU B 31 18.395 -38.106 -13.811 1.00 16.11 C +ATOM 2320 O GLU B 31 19.341 -37.391 -13.461 1.00 16.21 O +ATOM 2321 CB GLU B 31 16.978 -39.079 -11.978 1.00 17.44 C +ATOM 2322 CG GLU B 31 16.512 -40.313 -11.244 1.00 19.72 C +ATOM 2323 CD GLU B 31 15.466 -40.049 -10.169 1.00 21.88 C +ATOM 2324 OE1 GLU B 31 14.916 -38.941 -10.065 1.00 25.09 O +ATOM 2325 OE2 GLU B 31 15.223 -40.968 -9.375 1.00 28.90 O +ATOM 2326 N ASP B 32 17.707 -37.870 -14.915 1.00 16.50 N +ATOM 2327 CA ASP B 32 17.866 -36.637 -15.646 1.00 16.08 C +ATOM 2328 C ASP B 32 17.740 -35.428 -14.704 1.00 15.28 C +ATOM 2329 O ASP B 32 16.836 -35.351 -13.879 1.00 16.94 O +ATOM 2330 CB ASP B 32 16.791 -36.493 -16.716 1.00 17.18 C +ATOM 2331 CG ASP B 32 17.051 -37.331 -17.936 1.00 19.78 C +ATOM 2332 OD1 ASP B 32 18.187 -37.599 -18.316 1.00 21.07 O +ATOM 2333 OD2 ASP B 32 16.057 -37.685 -18.579 1.00 25.30 O +ATOM 2334 N GLY B 33 18.651 -34.472 -14.841 1.00 14.58 N +ATOM 2335 CA GLY B 33 18.600 -33.267 -14.030 1.00 14.11 C +ATOM 2336 C GLY B 33 19.316 -33.392 -12.697 1.00 13.02 C +ATOM 2337 O GLY B 33 19.434 -32.392 -11.993 1.00 13.55 O +ATOM 2338 N ASP B 34 19.869 -34.568 -12.385 1.00 12.85 N +ATOM 2339 CA ASP B 34 20.777 -34.690 -11.243 1.00 12.14 C +ATOM 2340 C ASP B 34 22.013 -33.826 -11.462 1.00 11.74 C +ATOM 2341 O ASP B 34 22.365 -33.504 -12.598 1.00 11.60 O +ATOM 2342 CB ASP B 34 21.268 -36.129 -11.048 1.00 12.26 C +ATOM 2343 CG ASP B 34 20.259 -37.076 -10.461 1.00 14.39 C +ATOM 2344 OD1 ASP B 34 19.193 -36.642 -9.972 1.00 15.50 O +ATOM 2345 OD2 ASP B 34 20.567 -38.306 -10.473 1.00 14.28 O +ATOM 2346 N VAL B 35 22.664 -33.481 -10.356 1.00 10.30 N +ATOM 2347 CA VAL B 35 23.994 -32.898 -10.362 1.00 10.82 C +ATOM 2348 C VAL B 35 24.923 -33.823 -9.586 1.00 10.20 C +ATOM 2349 O VAL B 35 24.671 -34.135 -8.420 1.00 12.11 O +ATOM 2350 CB VAL B 35 24.010 -31.459 -9.800 1.00 10.87 C +ATOM 2351 CG1 VAL B 35 25.434 -30.865 -9.876 1.00 12.17 C +ATOM 2352 CG2 VAL B 35 22.981 -30.569 -10.541 1.00 13.06 C +ATOM 2353 N LEU B 36 25.988 -34.264 -10.253 1.00 10.57 N +ATOM 2354 CA LEU B 36 27.043 -35.023 -9.640 1.00 10.13 C +ATOM 2355 C LEU B 36 28.172 -34.089 -9.247 1.00 10.20 C +ATOM 2356 O LEU B 36 28.678 -33.360 -10.081 1.00 10.36 O +ATOM 2357 CB LEU B 36 27.567 -36.100 -10.610 1.00 10.68 C +ATOM 2358 CG LEU B 36 28.780 -36.909 -10.108 1.00 11.28 C +ATOM 2359 CD1 LEU B 36 28.475 -37.757 -8.912 1.00 13.36 C +ATOM 2360 CD2 LEU B 36 29.362 -37.729 -11.226 1.00 12.48 C +ATOM 2361 N VAL B 37 28.571 -34.138 -7.971 1.00 9.97 N +ATOM 2362 CA VAL B 37 29.648 -33.294 -7.489 1.00 9.88 C +ATOM 2363 C VAL B 37 30.810 -34.211 -7.095 1.00 9.32 C +ATOM 2364 O VAL B 37 30.615 -35.161 -6.360 1.00 11.17 O +ATOM 2365 CB VAL B 37 29.174 -32.422 -6.284 1.00 9.66 C +ATOM 2366 CG1 VAL B 37 30.275 -31.432 -5.943 1.00 12.95 C +ATOM 2367 CG2 VAL B 37 27.866 -31.705 -6.639 1.00 12.40 C +ATOM 2368 N VAL B 38 32.007 -33.917 -7.593 1.00 9.62 N +ATOM 2369 CA VAL B 38 33.167 -34.766 -7.361 1.00 9.51 C +ATOM 2370 C VAL B 38 34.327 -33.937 -6.872 1.00 9.72 C +ATOM 2371 O VAL B 38 34.622 -32.873 -7.426 1.00 9.82 O +ATOM 2372 CB VAL B 38 33.574 -35.503 -8.690 1.00 10.26 C +ATOM 2373 CG1 VAL B 38 34.789 -36.411 -8.481 1.00 11.67 C +ATOM 2374 CG2 VAL B 38 32.419 -36.320 -9.197 1.00 12.62 C +ATOM 2375 N CYS B 39 35.049 -34.424 -5.860 1.00 9.74 N +ATOM 2376 CA CYS B 39 36.201 -33.654 -5.392 1.00 10.34 C +ATOM 2377 C CYS B 39 37.342 -33.643 -6.387 1.00 9.26 C +ATOM 2378 O CYS B 39 37.671 -34.667 -7.009 1.00 10.34 O +ATOM 2379 CB CYS B 39 36.664 -34.155 -4.039 1.00 10.79 C +ATOM 2380 SG CYS B 39 37.474 -35.738 -4.088 1.00 12.41 S +ATOM 2381 N SER B 40 38.023 -32.504 -6.489 1.00 10.30 N +ATOM 2382 CA SER B 40 39.178 -32.406 -7.349 1.00 10.09 C +ATOM 2383 C SER B 40 40.271 -33.406 -7.008 1.00 10.42 C +ATOM 2384 O SER B 40 41.013 -33.819 -7.898 1.00 11.40 O +ATOM 2385 CB SER B 40 39.733 -30.993 -7.381 1.00 11.27 C +ATOM 2386 OG SER B 40 40.322 -30.627 -6.162 1.00 12.64 O +ATOM 2387 N THR B 41 40.388 -33.789 -5.747 1.00 10.51 N +ATOM 2388 CA THR B 41 41.447 -34.717 -5.361 1.00 11.21 C +ATOM 2389 C THR B 41 41.389 -35.997 -6.189 1.00 10.89 C +ATOM 2390 O THR B 41 42.439 -36.463 -6.661 1.00 11.71 O +ATOM 2391 CB THR B 41 41.406 -34.966 -3.824 1.00 11.84 C +ATOM 2392 OG1 THR B 41 41.936 -33.792 -3.216 1.00 13.65 O +ATOM 2393 CG2 THR B 41 42.208 -36.195 -3.411 1.00 12.75 C +ATOM 2394 N VAL B 42 40.202 -36.604 -6.347 1.00 10.83 N +ATOM 2395 CA VAL B 42 40.141 -37.834 -7.141 1.00 11.19 C +ATOM 2396 C VAL B 42 40.331 -37.582 -8.630 1.00 11.47 C +ATOM 2397 O VAL B 42 40.824 -38.455 -9.348 1.00 11.63 O +ATOM 2398 CB VAL B 42 38.883 -38.692 -6.875 1.00 11.09 C +ATOM 2399 CG1 VAL B 42 38.907 -39.198 -5.402 1.00 11.35 C +ATOM 2400 CG2 VAL B 42 37.586 -37.970 -7.266 1.00 11.68 C +ATOM 2401 N ILE B 43 39.913 -36.414 -9.133 1.00 11.25 N +ATOM 2402 CA ILE B 43 40.193 -36.055 -10.532 1.00 11.49 C +ATOM 2403 C ILE B 43 41.708 -36.005 -10.747 1.00 12.17 C +ATOM 2404 O ILE B 43 42.231 -36.606 -11.681 1.00 12.12 O +ATOM 2405 CB ILE B 43 39.583 -34.691 -10.875 1.00 11.41 C +ATOM 2406 CG1 ILE B 43 38.058 -34.699 -10.641 1.00 12.14 C +ATOM 2407 CG2 ILE B 43 39.943 -34.296 -12.319 1.00 12.64 C +ATOM 2408 CD1 ILE B 43 37.253 -35.636 -11.529 1.00 14.93 C +ATOM 2409 N SER B 44 42.405 -35.300 -9.863 1.00 11.78 N +ATOM 2410 CA SER B 44 43.869 -35.209 -9.949 1.00 11.29 C +ATOM 2411 C SER B 44 44.534 -36.598 -9.850 1.00 11.40 C +ATOM 2412 O SER B 44 45.459 -36.908 -10.607 1.00 12.69 O +ATOM 2413 CB SER B 44 44.410 -34.280 -8.848 1.00 12.12 C +ATOM 2414 OG SER B 44 44.023 -32.949 -9.082 1.00 13.64 O +ATOM 2415 N LYS B 45 44.070 -37.450 -8.948 1.00 12.18 N +ATOM 2416 CA LYS B 45 44.625 -38.816 -8.856 1.00 12.89 C +ATOM 2417 C LYS B 45 44.418 -39.569 -10.175 1.00 12.19 C +ATOM 2418 O LYS B 45 45.359 -40.135 -10.765 1.00 13.84 O +ATOM 2419 CB LYS B 45 43.986 -39.569 -7.720 1.00 12.84 C +ATOM 2420 CG LYS B 45 44.400 -39.070 -6.333 1.00 13.54 C +ATOM 2421 CD LYS B 45 43.613 -39.714 -5.222 1.00 14.02 C +ATOM 2422 CE LYS B 45 44.189 -39.354 -3.884 1.00 14.35 C +ATOM 2423 NZ LYS B 45 43.420 -39.964 -2.768 1.00 14.94 N +ATOM 2424 N ALA B 46 43.201 -39.576 -10.690 1.00 12.15 N +ATOM 2425 CA ALA B 46 42.888 -40.292 -11.916 1.00 12.09 C +ATOM 2426 C ALA B 46 43.663 -39.792 -13.115 1.00 13.11 C +ATOM 2427 O ALA B 46 44.049 -40.584 -13.993 1.00 13.95 O +ATOM 2428 CB ALA B 46 41.369 -40.273 -12.199 1.00 13.17 C +ATOM 2429 N GLU B 47 43.922 -38.499 -13.134 1.00 12.73 N +ATOM 2430 CA GLU B 47 44.627 -37.828 -14.228 1.00 13.46 C +ATOM 2431 C GLU B 47 46.143 -37.777 -14.035 1.00 13.90 C +ATOM 2432 O GLU B 47 46.811 -37.146 -14.824 1.00 15.58 O +ATOM 2433 CB GLU B 47 44.039 -36.430 -14.476 1.00 13.95 C +ATOM 2434 CG GLU B 47 42.550 -36.532 -14.897 1.00 14.39 C +ATOM 2435 CD GLU B 47 41.873 -35.224 -15.151 1.00 14.72 C +ATOM 2436 OE1 GLU B 47 42.503 -34.152 -14.996 1.00 16.58 O +ATOM 2437 OE2 GLU B 47 40.679 -35.267 -15.532 1.00 16.90 O +ATOM 2438 N GLY B 48 46.678 -38.454 -13.020 1.00 13.64 N +ATOM 2439 CA GLY B 48 48.142 -38.587 -12.868 1.00 14.30 C +ATOM 2440 C GLY B 48 48.848 -37.308 -12.460 1.00 14.28 C +ATOM 2441 O GLY B 48 49.952 -37.028 -12.899 1.00 16.73 O +ATOM 2442 N ARG B 49 48.219 -36.521 -11.587 1.00 13.87 N +ATOM 2443 CA ARG B 49 48.734 -35.210 -11.177 1.00 14.66 C +ATOM 2444 C ARG B 49 49.471 -35.221 -9.808 1.00 14.53 C +ATOM 2445 O ARG B 49 49.686 -34.185 -9.203 1.00 17.26 O +ATOM 2446 CB ARG B 49 47.593 -34.197 -11.238 1.00 14.55 C +ATOM 2447 CG ARG B 49 47.121 -33.904 -12.683 1.00 14.79 C +ATOM 2448 CD ARG B 49 48.055 -33.043 -13.451 1.00 15.64 C +ATOM 2449 NE ARG B 49 47.940 -31.662 -13.000 1.00 15.28 N +ATOM 2450 CZ ARG B 49 48.832 -30.696 -13.216 1.00 16.67 C +ATOM 2451 NH1 ARG B 49 49.967 -30.934 -13.876 1.00 21.44 N +ATOM 2452 NH2 ARG B 49 48.594 -29.480 -12.780 1.00 17.75 N +ATOM 2453 N ILE B 50 49.956 -36.379 -9.391 1.00 15.66 N +ATOM 2454 CA ILE B 50 50.747 -36.482 -8.171 1.00 16.09 C +ATOM 2455 C ILE B 50 52.208 -36.206 -8.509 1.00 16.13 C +ATOM 2456 O ILE B 50 52.698 -36.684 -9.522 1.00 17.08 O +ATOM 2457 CB ILE B 50 50.628 -37.877 -7.515 1.00 16.94 C +ATOM 2458 CG1 ILE B 50 49.173 -38.125 -7.090 1.00 19.38 C +ATOM 2459 CG2 ILE B 50 51.531 -38.002 -6.296 1.00 18.04 C +ATOM 2460 CD1 ILE B 50 48.918 -39.508 -6.509 1.00 20.11 C +ATOM 2461 N ARG B 51 52.879 -35.431 -7.658 1.00 15.49 N +ATOM 2462 CA AARG B 51 54.317 -35.147 -7.779 0.50 15.99 C +ATOM 2463 CA BARG B 51 54.322 -35.189 -7.774 0.50 15.87 C +ATOM 2464 C ARG B 51 54.950 -35.394 -6.418 1.00 16.05 C +ATOM 2465 O ARG B 51 54.306 -35.241 -5.397 1.00 17.31 O +ATOM 2466 CB AARG B 51 54.562 -33.693 -8.173 0.50 16.54 C +ATOM 2467 CB BARG B 51 54.616 -33.772 -8.235 0.50 16.23 C +ATOM 2468 CG AARG B 51 54.016 -33.271 -9.540 0.50 18.60 C +ATOM 2469 CG BARG B 51 53.956 -33.393 -9.531 0.50 17.82 C +ATOM 2470 CD AARG B 51 54.855 -33.766 -10.702 0.50 20.05 C +ATOM 2471 CD BARG B 51 54.513 -34.171 -10.682 0.50 18.44 C +ATOM 2472 NE AARG B 51 56.233 -33.273 -10.650 0.50 19.88 N +ATOM 2473 NE BARG B 51 53.929 -33.719 -11.944 0.50 18.41 N +ATOM 2474 CZ AARG B 51 56.633 -32.063 -11.039 0.50 21.48 C +ATOM 2475 CZ BARG B 51 52.910 -34.301 -12.569 0.50 20.31 C +ATOM 2476 NH1AARG B 51 55.768 -31.166 -11.518 0.50 21.82 N +ATOM 2477 NH1BARG B 51 52.318 -35.393 -12.080 0.50 18.34 N +ATOM 2478 NH2AARG B 51 57.924 -31.731 -10.932 0.50 22.07 N +ATOM 2479 NH2BARG B 51 52.491 -33.788 -13.713 0.50 21.29 N +ATOM 2480 N ARG B 52 56.214 -35.769 -6.405 1.00 16.77 N +ATOM 2481 CA ARG B 52 56.956 -35.904 -5.157 1.00 17.19 C +ATOM 2482 C ARG B 52 57.555 -34.564 -4.764 1.00 17.06 C +ATOM 2483 O ARG B 52 58.092 -33.848 -5.612 1.00 16.98 O +ATOM 2484 CB ARG B 52 58.086 -36.910 -5.326 1.00 18.27 C +ATOM 2485 CG ARG B 52 57.637 -38.345 -5.548 1.00 22.85 C +ATOM 2486 CD ARG B 52 58.053 -39.225 -4.383 1.00 28.59 C +ATOM 2487 NE ARG B 52 56.930 -39.452 -3.492 1.00 31.28 N +ATOM 2488 CZ ARG B 52 57.006 -39.711 -2.188 0.50 27.78 C +ATOM 2489 NH1 ARG B 52 58.179 -39.774 -1.553 0.50 25.88 N +ATOM 2490 NH2 ARG B 52 55.874 -39.912 -1.515 0.50 24.19 N +ATOM 2491 N LEU B 53 57.507 -34.246 -3.470 1.00 17.76 N +ATOM 2492 CA LEU B 53 58.087 -33.007 -2.959 1.00 19.66 C +ATOM 2493 C LEU B 53 59.549 -32.875 -3.359 1.00 20.07 C +ATOM 2494 O LEU B 53 59.999 -31.803 -3.754 1.00 19.93 O +ATOM 2495 CB LEU B 53 57.972 -32.928 -1.433 1.00 20.62 C +ATOM 2496 CG LEU B 53 56.889 -32.033 -0.823 1.00 24.79 C +ATOM 2497 CD1 LEU B 53 56.992 -32.102 0.676 1.00 28.34 C +ATOM 2498 CD2 LEU B 53 57.017 -30.583 -1.277 1.00 27.69 C +ATOM 2499 N GLU B 54 60.278 -33.985 -3.262 1.00 20.89 N +ATOM 2500 CA GLU B 54 61.731 -33.993 -3.529 1.00 22.80 C +ATOM 2501 C GLU B 54 62.067 -33.553 -4.950 1.00 23.14 C +ATOM 2502 O GLU B 54 63.210 -33.176 -5.221 1.00 25.14 O +ATOM 2503 CB GLU B 54 62.319 -35.383 -3.249 1.00 23.44 C +ATOM 2504 CG GLU B 54 61.877 -36.438 -4.275 1.00 25.22 C +ATOM 2505 CD GLU B 54 62.304 -37.842 -3.926 0.20 24.38 C +ATOM 2506 OE1 GLU B 54 63.267 -37.996 -3.149 0.20 25.78 O +ATOM 2507 OE2 GLU B 54 61.668 -38.794 -4.432 0.20 25.57 O +ATOM 2508 N GLU B 55 61.101 -33.601 -5.864 1.00 23.70 N +ATOM 2509 CA GLU B 55 61.330 -33.204 -7.249 1.00 24.46 C +ATOM 2510 C GLU B 55 61.613 -31.718 -7.433 1.00 23.85 C +ATOM 2511 O GLU B 55 62.256 -31.340 -8.426 1.00 25.41 O +ATOM 2512 CB GLU B 55 60.149 -33.553 -8.155 1.00 24.25 C +ATOM 2513 CG GLU B 55 59.702 -35.015 -8.225 1.00 25.24 C +ATOM 2514 CD GLU B 55 58.537 -35.215 -9.178 1.00 27.50 C +ATOM 2515 OE1 GLU B 55 58.556 -34.556 -10.236 1.00 32.19 O +ATOM 2516 OE2 GLU B 55 57.612 -36.025 -8.897 1.00 26.69 O +ATOM 2517 N PHE B 56 61.137 -30.868 -6.516 1.00 22.27 N +ATOM 2518 CA PHE B 56 61.169 -29.425 -6.721 1.00 21.43 C +ATOM 2519 C PHE B 56 62.470 -28.831 -6.191 1.00 21.26 C +ATOM 2520 O PHE B 56 62.921 -29.205 -5.114 1.00 23.19 O +ATOM 2521 CB PHE B 56 59.931 -28.784 -6.078 1.00 20.10 C +ATOM 2522 CG PHE B 56 58.665 -29.272 -6.690 1.00 19.37 C +ATOM 2523 CD1 PHE B 56 58.171 -28.675 -7.832 1.00 17.58 C +ATOM 2524 CD2 PHE B 56 58.026 -30.404 -6.196 1.00 17.30 C +ATOM 2525 CE1 PHE B 56 57.030 -29.171 -8.449 1.00 18.95 C +ATOM 2526 CE2 PHE B 56 56.865 -30.889 -6.812 1.00 18.49 C +ATOM 2527 CZ PHE B 56 56.391 -30.276 -7.937 1.00 18.90 C +ATOM 2528 N ASN B 57 63.085 -27.949 -6.974 1.00 20.84 N +ATOM 2529 CA ASN B 57 64.306 -27.229 -6.548 1.00 20.34 C +ATOM 2530 C ASN B 57 63.946 -25.839 -6.086 1.00 20.21 C +ATOM 2531 O ASN B 57 63.541 -25.052 -6.891 1.00 19.66 O +ATOM 2532 CB ASN B 57 65.337 -27.067 -7.684 1.00 20.92 C +ATOM 2533 CG ASN B 57 66.642 -26.357 -7.188 1.00 22.84 C +ATOM 2534 OD1 ASN B 57 67.250 -26.836 -6.232 1.00 26.40 O +ATOM 2535 ND2 ASN B 57 67.049 -25.220 -7.808 1.00 25.06 N +ATOM 2536 N PRO B 58 64.061 -25.546 -4.781 1.00 21.75 N +ATOM 2537 CA PRO B 58 63.616 -24.239 -4.340 1.00 22.41 C +ATOM 2538 C PRO B 58 64.479 -23.068 -4.772 1.00 23.38 C +ATOM 2539 O PRO B 58 65.696 -23.059 -4.559 1.00 24.12 O +ATOM 2540 CB PRO B 58 63.624 -24.371 -2.810 1.00 23.18 C +ATOM 2541 CG PRO B 58 63.531 -25.818 -2.568 1.00 23.79 C +ATOM 2542 CD PRO B 58 64.434 -26.373 -3.630 1.00 22.28 C +ATOM 2543 N SER B 59 63.848 -22.072 -5.368 1.00 23.30 N +ATOM 2544 CA SER B 59 64.466 -20.757 -5.539 1.00 25.48 C +ATOM 2545 C SER B 59 64.670 -20.099 -4.168 1.00 25.95 C +ATOM 2546 O SER B 59 64.113 -20.541 -3.168 1.00 25.73 O +ATOM 2547 CB SER B 59 63.558 -19.894 -6.400 1.00 25.58 C +ATOM 2548 OG SER B 59 62.286 -19.729 -5.787 1.00 26.05 O +ATOM 2549 N AGLU B 60 65.504 -19.059 -4.144 0.50 27.45 N +ATOM 2550 N BGLU B 60 65.472 -19.045 -4.102 0.50 27.37 N +ATOM 2551 CA AGLU B 60 65.728 -18.247 -2.942 0.50 28.40 C +ATOM 2552 CA BGLU B 60 65.622 -18.341 -2.833 0.50 28.13 C +ATOM 2553 C AGLU B 60 64.389 -17.669 -2.429 0.50 28.81 C +ATOM 2554 C BGLU B 60 64.288 -17.761 -2.395 0.50 28.74 C +ATOM 2555 O AGLU B 60 64.127 -17.648 -1.223 0.50 29.22 O +ATOM 2556 O BGLU B 60 63.931 -17.802 -1.209 0.50 28.70 O +ATOM 2557 CB AGLU B 60 66.773 -17.143 -3.221 0.50 28.47 C +ATOM 2558 CB BGLU B 60 66.655 -17.235 -2.917 0.50 28.46 C +ATOM 2559 CG AGLU B 60 68.268 -17.620 -3.242 0.50 27.30 C +ATOM 2560 CG BGLU B 60 66.899 -16.603 -1.574 0.50 27.80 C +ATOM 2561 CD AGLU B 60 68.959 -17.555 -4.605 0.50 26.23 C +ATOM 2562 CD BGLU B 60 67.332 -17.613 -0.538 0.50 28.77 C +ATOM 2563 OE1AGLU B 60 68.387 -17.024 -5.578 0.50 23.80 O +ATOM 2564 OE1BGLU B 60 68.357 -18.286 -0.770 0.50 29.63 O +ATOM 2565 OE2AGLU B 60 70.110 -18.036 -4.706 0.50 27.71 O +ATOM 2566 OE2BGLU B 60 66.635 -17.746 0.495 0.50 29.02 O +ATOM 2567 N ARG B 61 63.531 -17.258 -3.357 1.00 29.18 N +ATOM 2568 CA ARG B 61 62.172 -16.785 -3.069 1.00 29.95 C +ATOM 2569 C ARG B 61 61.264 -17.831 -2.382 1.00 28.28 C +ATOM 2570 O ARG B 61 60.578 -17.523 -1.400 1.00 28.71 O +ATOM 2571 CB ARG B 61 61.525 -16.285 -4.359 1.00 30.72 C +ATOM 2572 CG ARG B 61 60.125 -15.759 -4.156 1.00 32.60 C +ATOM 2573 CD ARG B 61 59.538 -15.117 -5.400 1.00 33.56 C +ATOM 2574 NE ARG B 61 58.320 -14.373 -5.045 1.00 36.34 N +ATOM 2575 CZ ARG B 61 57.348 -14.002 -5.886 1.00 37.54 C +ATOM 2576 NH1 ARG B 61 57.390 -14.301 -7.183 1.00 39.39 N +ATOM 2577 NH2 ARG B 61 56.308 -13.321 -5.416 1.00 37.60 N +ATOM 2578 N ALA B 62 61.275 -19.078 -2.871 1.00 26.62 N +ATOM 2579 CA ALA B 62 60.538 -20.148 -2.231 1.00 26.02 C +ATOM 2580 C ALA B 62 60.968 -20.342 -0.764 1.00 25.37 C +ATOM 2581 O ALA B 62 60.144 -20.547 0.120 1.00 24.31 O +ATOM 2582 CB ALA B 62 60.693 -21.448 -3.017 1.00 25.45 C +ATOM 2583 N LYS B 63 62.272 -20.337 -0.521 1.00 26.81 N +ATOM 2584 CA LYS B 63 62.795 -20.544 0.829 1.00 27.93 C +ATOM 2585 C LYS B 63 62.312 -19.457 1.802 1.00 27.90 C +ATOM 2586 O LYS B 63 61.918 -19.756 2.923 1.00 28.38 O +ATOM 2587 CB LYS B 63 64.325 -20.612 0.786 1.00 28.21 C +ATOM 2588 CG LYS B 63 64.859 -21.866 0.119 1.00 28.94 C +ATOM 2589 CD LYS B 63 66.397 -21.895 0.119 1.00 29.83 C +ATOM 2590 CE LYS B 63 66.981 -21.349 -1.176 1.00 32.80 C +ATOM 2591 NZ LYS B 63 67.468 -22.429 -2.071 1.00 35.38 N +ATOM 2592 N GLU B 64 62.307 -18.211 1.350 1.00 28.18 N +ATOM 2593 CA GLU B 64 61.778 -17.076 2.136 1.00 29.14 C +ATOM 2594 C GLU B 64 60.312 -17.255 2.563 1.00 27.96 C +ATOM 2595 O GLU B 64 59.932 -17.022 3.725 1.00 27.56 O +ATOM 2596 CB GLU B 64 61.910 -15.789 1.328 1.00 29.94 C +ATOM 2597 CG GLU B 64 63.353 -15.345 1.081 1.00 31.73 C +ATOM 2598 CD GLU B 64 63.475 -13.988 0.379 1.00 32.99 C +ATOM 2599 OE1 GLU B 64 62.446 -13.426 -0.041 1.00 38.73 O +ATOM 2600 OE2 GLU B 64 64.616 -13.482 0.242 1.00 36.82 O +ATOM 2601 N ILE B 65 59.475 -17.665 1.615 1.00 26.34 N +ATOM 2602 CA ILE B 65 58.072 -17.852 1.884 1.00 25.64 C +ATOM 2603 C ILE B 65 57.832 -19.040 2.815 1.00 25.56 C +ATOM 2604 O ILE B 65 57.010 -18.953 3.728 1.00 25.01 O +ATOM 2605 CB ILE B 65 57.265 -18.021 0.552 1.00 25.49 C +ATOM 2606 CG1 ILE B 65 57.446 -16.759 -0.314 1.00 25.00 C +ATOM 2607 CG2 ILE B 65 55.814 -18.331 0.860 1.00 24.58 C +ATOM 2608 CD1 ILE B 65 56.893 -16.850 -1.774 1.00 25.54 C +ATOM 2609 N ALA B 66 58.552 -20.143 2.580 1.00 24.54 N +ATOM 2610 CA ALA B 66 58.441 -21.342 3.404 1.00 25.22 C +ATOM 2611 C ALA B 66 58.700 -20.990 4.877 1.00 24.89 C +ATOM 2612 O ALA B 66 58.035 -21.496 5.785 1.00 24.41 O +ATOM 2613 CB ALA B 66 59.441 -22.397 2.930 1.00 25.45 C +ATOM 2614 N ALA B 67 59.656 -20.108 5.090 1.00 25.43 N +ATOM 2615 CA ALA B 67 60.020 -19.682 6.456 1.00 26.65 C +ATOM 2616 C ALA B 67 58.873 -18.945 7.165 1.00 27.23 C +ATOM 2617 O ALA B 67 58.717 -19.048 8.390 1.00 26.39 O +ATOM 2618 CB ALA B 67 61.240 -18.821 6.409 1.00 26.49 C +ATOM 2619 N ARG B 68 58.073 -18.199 6.402 1.00 27.81 N +ATOM 2620 CA ARG B 68 56.962 -17.394 6.939 1.00 28.36 C +ATOM 2621 C ARG B 68 55.713 -18.211 7.240 1.00 29.22 C +ATOM 2622 O ARG B 68 54.980 -17.915 8.193 1.00 30.01 O +ATOM 2623 CB ARG B 68 56.572 -16.310 5.934 1.00 28.93 C +ATOM 2624 CG ARG B 68 57.574 -15.216 5.836 1.00 29.90 C +ATOM 2625 CD ARG B 68 57.236 -14.353 4.646 1.00 31.19 C +ATOM 2626 NE ARG B 68 58.003 -13.115 4.620 1.00 32.21 N +ATOM 2627 CZ ARG B 68 59.308 -13.021 4.399 1.00 33.31 C +ATOM 2628 NH1 ARG B 68 60.071 -14.093 4.214 1.00 34.28 N +ATOM 2629 NH2 ARG B 68 59.867 -11.824 4.380 1.00 34.21 N +ATOM 2630 N ILE B 69 55.456 -19.231 6.431 1.00 28.53 N +ATOM 2631 CA ILE B 69 54.224 -20.000 6.549 1.00 29.15 C +ATOM 2632 C ILE B 69 54.408 -21.364 7.191 1.00 28.92 C +ATOM 2633 O ILE B 69 53.435 -22.097 7.363 1.00 29.96 O +ATOM 2634 CB ILE B 69 53.522 -20.136 5.173 1.00 28.63 C +ATOM 2635 CG1 ILE B 69 54.299 -21.067 4.223 1.00 28.17 C +ATOM 2636 CG2 ILE B 69 53.330 -18.756 4.551 1.00 30.31 C +ATOM 2637 CD1 ILE B 69 53.504 -21.470 2.953 1.00 28.53 C +ATOM 2638 N GLY B 70 55.650 -21.705 7.525 1.00 28.83 N +ATOM 2639 CA GLY B 70 55.952 -22.946 8.240 1.00 28.56 C +ATOM 2640 C GLY B 70 55.676 -24.153 7.389 1.00 27.65 C +ATOM 2641 O GLY B 70 55.069 -25.126 7.855 1.00 27.51 O +ATOM 2642 N LYS B 71 56.127 -24.081 6.129 1.00 27.90 N +ATOM 2643 CA LYS B 71 55.982 -25.165 5.179 1.00 27.41 C +ATOM 2644 C LYS B 71 57.334 -25.467 4.521 1.00 26.71 C +ATOM 2645 O LYS B 71 58.236 -24.630 4.518 1.00 26.72 O +ATOM 2646 CB LYS B 71 54.950 -24.787 4.103 1.00 27.89 C +ATOM 2647 CG LYS B 71 53.515 -24.649 4.624 1.00 28.64 C +ATOM 2648 CD LYS B 71 52.880 -26.002 4.893 0.50 29.44 C +ATOM 2649 CE LYS B 71 51.383 -25.880 5.167 0.50 29.51 C +ATOM 2650 NZ LYS B 71 50.697 -27.196 5.026 0.50 30.60 N +ATOM 2651 N PRO B 72 57.481 -26.681 3.977 1.00 26.01 N +ATOM 2652 CA PRO B 72 58.701 -26.969 3.217 1.00 25.08 C +ATOM 2653 C PRO B 72 58.935 -26.047 1.991 1.00 24.25 C +ATOM 2654 O PRO B 72 57.990 -25.773 1.237 1.00 23.40 O +ATOM 2655 CB PRO B 72 58.487 -28.416 2.763 1.00 25.80 C +ATOM 2656 CG PRO B 72 57.455 -28.978 3.677 1.00 26.53 C +ATOM 2657 CD PRO B 72 56.579 -27.841 4.034 1.00 26.27 C +ATOM 2658 N ALA B 73 60.178 -25.620 1.761 1.00 23.09 N +ATOM 2659 CA ALA B 73 60.518 -24.780 0.599 1.00 22.70 C +ATOM 2660 C ALA B 73 60.210 -25.475 -0.741 1.00 21.81 C +ATOM 2661 O ALA B 73 59.889 -24.813 -1.725 1.00 20.29 O +ATOM 2662 CB ALA B 73 62.005 -24.338 0.644 1.00 23.31 C +ATOM 2663 N GLU B 74 60.328 -26.797 -0.778 1.00 20.85 N +ATOM 2664 CA GLU B 74 59.954 -27.584 -1.965 1.00 21.26 C +ATOM 2665 C GLU B 74 58.454 -27.441 -2.269 1.00 20.62 C +ATOM 2666 O GLU B 74 58.064 -27.389 -3.425 1.00 19.87 O +ATOM 2667 CB GLU B 74 60.298 -29.062 -1.766 1.00 22.01 C +ATOM 2668 CG GLU B 74 61.816 -29.339 -1.761 1.00 23.99 C +ATOM 2669 CD GLU B 74 62.504 -29.018 -0.424 1.00 28.97 C +ATOM 2670 OE1 GLU B 74 61.812 -28.696 0.588 1.00 30.48 O +ATOM 2671 OE2 GLU B 74 63.758 -29.105 -0.375 1.00 33.11 O +ATOM 2672 N PHE B 75 57.632 -27.394 -1.230 1.00 20.22 N +ATOM 2673 CA PHE B 75 56.192 -27.222 -1.401 1.00 20.05 C +ATOM 2674 C PHE B 75 55.932 -25.835 -1.961 1.00 17.98 C +ATOM 2675 O PHE B 75 55.181 -25.663 -2.937 1.00 18.18 O +ATOM 2676 CB PHE B 75 55.468 -27.444 -0.073 1.00 20.91 C +ATOM 2677 CG PHE B 75 53.993 -27.233 -0.167 1.00 22.58 C +ATOM 2678 CD1 PHE B 75 53.169 -28.237 -0.638 1.00 22.55 C +ATOM 2679 CD2 PHE B 75 53.431 -26.011 0.180 1.00 23.13 C +ATOM 2680 CE1 PHE B 75 51.792 -28.042 -0.761 1.00 24.39 C +ATOM 2681 CE2 PHE B 75 52.051 -25.818 0.073 1.00 23.71 C +ATOM 2682 CZ PHE B 75 51.245 -26.831 -0.407 1.00 22.36 C +ATOM 2683 N VAL B 76 56.530 -24.821 -1.365 1.00 17.60 N +ATOM 2684 CA VAL B 76 56.382 -23.476 -1.872 1.00 17.57 C +ATOM 2685 C VAL B 76 56.850 -23.373 -3.344 1.00 16.98 C +ATOM 2686 O VAL B 76 56.189 -22.725 -4.153 1.00 16.74 O +ATOM 2687 CB VAL B 76 57.116 -22.447 -1.006 1.00 18.62 C +ATOM 2688 CG1 VAL B 76 57.092 -21.105 -1.641 1.00 18.30 C +ATOM 2689 CG2 VAL B 76 56.514 -22.435 0.393 1.00 20.89 C +ATOM 2690 N GLN B 77 57.964 -24.024 -3.689 1.00 17.08 N +ATOM 2691 CA GLN B 77 58.420 -24.024 -5.076 1.00 16.69 C +ATOM 2692 C GLN B 77 57.361 -24.579 -6.026 1.00 16.62 C +ATOM 2693 O GLN B 77 57.121 -24.022 -7.087 1.00 17.10 O +ATOM 2694 CB GLN B 77 59.718 -24.812 -5.208 1.00 17.10 C +ATOM 2695 CG GLN B 77 60.272 -24.813 -6.626 1.00 18.13 C +ATOM 2696 CD GLN B 77 60.659 -23.429 -7.179 1.00 19.68 C +ATOM 2697 OE1 GLN B 77 60.640 -23.203 -8.405 1.00 23.18 O +ATOM 2698 NE2 GLN B 77 61.007 -22.517 -6.316 1.00 17.58 N +ATOM 2699 N ALA B 78 56.752 -25.703 -5.650 1.00 16.63 N +ATOM 2700 CA ALA B 78 55.673 -26.275 -6.453 1.00 16.64 C +ATOM 2701 C ALA B 78 54.528 -25.292 -6.661 1.00 16.56 C +ATOM 2702 O ALA B 78 54.021 -25.165 -7.763 1.00 16.54 O +ATOM 2703 CB ALA B 78 55.152 -27.538 -5.805 1.00 17.09 C +ATOM 2704 N VAL B 79 54.156 -24.592 -5.600 1.00 15.77 N +ATOM 2705 CA VAL B 79 53.114 -23.574 -5.692 1.00 15.87 C +ATOM 2706 C VAL B 79 53.519 -22.483 -6.673 1.00 16.50 C +ATOM 2707 O VAL B 79 52.740 -22.086 -7.528 1.00 17.15 O +ATOM 2708 CB VAL B 79 52.784 -22.943 -4.314 1.00 15.46 C +ATOM 2709 CG1 VAL B 79 51.835 -21.758 -4.484 1.00 16.04 C +ATOM 2710 CG2 VAL B 79 52.200 -23.966 -3.403 1.00 16.29 C +ATOM 2711 N LEU B 80 54.737 -21.992 -6.569 1.00 16.62 N +ATOM 2712 CA LEU B 80 55.169 -20.913 -7.447 1.00 18.30 C +ATOM 2713 C LEU B 80 55.171 -21.377 -8.904 1.00 18.87 C +ATOM 2714 O LEU B 80 54.803 -20.621 -9.793 1.00 20.11 O +ATOM 2715 CB LEU B 80 56.558 -20.394 -7.020 1.00 18.96 C +ATOM 2716 CG LEU B 80 56.635 -19.753 -5.637 1.00 19.65 C +ATOM 2717 CD1 LEU B 80 58.098 -19.383 -5.342 1.00 22.20 C +ATOM 2718 CD2 LEU B 80 55.703 -18.513 -5.538 1.00 21.47 C +ATOM 2719 N GLU B 81 55.564 -22.623 -9.151 1.00 18.98 N +ATOM 2720 CA GLU B 81 55.612 -23.173 -10.520 1.00 19.94 C +ATOM 2721 C GLU B 81 54.209 -23.310 -11.107 1.00 21.48 C +ATOM 2722 O GLU B 81 54.044 -23.271 -12.328 1.00 23.51 O +ATOM 2723 CB GLU B 81 56.350 -24.511 -10.525 1.00 19.59 C +ATOM 2724 CG GLU B 81 57.841 -24.330 -10.292 1.00 18.85 C +ATOM 2725 CD GLU B 81 58.660 -25.598 -10.349 1.00 21.40 C +ATOM 2726 OE1 GLU B 81 58.155 -26.665 -10.739 1.00 22.92 O +ATOM 2727 OE2 GLU B 81 59.861 -25.504 -10.023 1.00 21.79 O +ATOM 2728 N GLU B 82 53.204 -23.434 -10.230 1.00 21.64 N +ATOM 2729 CA GLU B 82 51.804 -23.620 -10.623 1.00 23.67 C +ATOM 2730 C GLU B 82 51.020 -22.290 -10.581 1.00 23.58 C +ATOM 2731 O GLU B 82 49.794 -22.298 -10.733 1.00 24.39 O +ATOM 2732 CB GLU B 82 51.171 -24.649 -9.685 1.00 23.97 C +ATOM 2733 CG GLU B 82 49.946 -25.334 -10.208 1.00 26.90 C +ATOM 2734 CD GLU B 82 50.234 -26.376 -11.257 1.00 28.50 C +ATOM 2735 OE1 GLU B 82 51.381 -26.883 -11.365 1.00 29.82 O +ATOM 2736 OE2 GLU B 82 49.273 -26.686 -11.996 1.00 31.93 O +ATOM 2737 N SER B 83 51.711 -21.159 -10.396 1.00 24.00 N +ATOM 2738 CA SER B 83 51.101 -19.840 -10.176 1.00 25.46 C +ATOM 2739 C SER B 83 51.491 -18.856 -11.258 1.00 28.06 C +ATOM 2740 O SER B 83 52.530 -19.005 -11.884 1.00 28.49 O +ATOM 2741 CB SER B 83 51.585 -19.237 -8.846 1.00 25.48 C +ATOM 2742 OG SER B 83 51.234 -20.027 -7.750 1.00 25.19 O +ATOM 2743 N GLU B 84 50.653 -17.832 -11.440 1.00 30.27 N +ATOM 2744 CA GLU B 84 50.983 -16.657 -12.255 1.00 32.40 C +ATOM 2745 C GLU B 84 51.544 -15.525 -11.403 1.00 32.52 C +ATOM 2746 O GLU B 84 52.502 -14.858 -11.796 1.00 33.12 O +ATOM 2747 CB GLU B 84 49.748 -16.091 -12.925 1.00 32.68 C +ATOM 2748 CG GLU B 84 49.147 -16.881 -14.042 1.00 34.38 C +ATOM 2749 CD GLU B 84 47.981 -16.126 -14.668 1.00 35.22 C +ATOM 2750 OE1 GLU B 84 47.842 -14.912 -14.397 1.00 39.20 O +ATOM 2751 OE2 GLU B 84 47.204 -16.735 -15.432 1.00 39.02 O +ATOM 2752 N GLU B 85 50.912 -15.277 -10.257 1.00 32.89 N +ATOM 2753 CA GLU B 85 51.355 -14.230 -9.343 1.00 33.59 C +ATOM 2754 C GLU B 85 51.034 -14.565 -7.893 1.00 32.83 C +ATOM 2755 O GLU B 85 50.067 -15.287 -7.606 1.00 33.40 O +ATOM 2756 CB GLU B 85 50.741 -12.867 -9.723 1.00 33.96 C +ATOM 2757 CG GLU B 85 49.308 -12.940 -10.196 1.00 34.74 C +ATOM 2758 CD GLU B 85 48.606 -11.593 -10.185 1.00 35.63 C +ATOM 2759 OE1 GLU B 85 49.263 -10.556 -10.437 1.00 38.77 O +ATOM 2760 OE2 GLU B 85 47.388 -11.568 -9.896 1.00 38.10 O +ATOM 2761 N VAL B 86 51.869 -14.044 -6.998 1.00 32.11 N +ATOM 2762 CA VAL B 86 51.687 -14.162 -5.558 1.00 31.45 C +ATOM 2763 C VAL B 86 50.988 -12.912 -5.047 1.00 31.46 C +ATOM 2764 O VAL B 86 51.409 -11.794 -5.359 1.00 32.14 O +ATOM 2765 CB VAL B 86 53.031 -14.275 -4.829 1.00 31.31 C +ATOM 2766 CG1 VAL B 86 52.826 -14.372 -3.321 1.00 30.63 C +ATOM 2767 CG2 VAL B 86 53.815 -15.465 -5.351 1.00 31.54 C +ATOM 2768 N LEU B 87 49.938 -13.106 -4.253 1.00 31.06 N +ATOM 2769 CA LEU B 87 49.175 -11.983 -3.696 1.00 30.99 C +ATOM 2770 C LEU B 87 49.438 -11.782 -2.210 1.00 30.73 C +ATOM 2771 O LEU B 87 49.422 -10.638 -1.724 1.00 31.85 O +ATOM 2772 CB LEU B 87 47.664 -12.174 -3.941 1.00 30.94 C +ATOM 2773 CG LEU B 87 47.215 -12.335 -5.400 1.00 31.91 C +ATOM 2774 CD1 LEU B 87 45.695 -12.548 -5.486 1.00 33.15 C +ATOM 2775 CD2 LEU B 87 47.634 -11.153 -6.255 1.00 33.18 C +ATOM 2776 N LEU B 88 49.629 -12.870 -1.478 1.00 30.40 N +ATOM 2777 CA LEU B 88 49.950 -12.825 -0.044 1.00 30.47 C +ATOM 2778 C LEU B 88 50.956 -13.934 0.245 1.00 29.80 C +ATOM 2779 O LEU B 88 50.844 -15.028 -0.325 1.00 27.88 O +ATOM 2780 CB LEU B 88 48.699 -13.044 0.821 1.00 30.60 C +ATOM 2781 CG LEU B 88 47.628 -11.950 0.911 1.00 32.56 C +ATOM 2782 CD1 LEU B 88 47.125 -11.534 -0.451 1.00 35.33 C +ATOM 2783 CD2 LEU B 88 46.456 -12.416 1.751 1.00 32.37 C +ATOM 2784 N ASP B 89 51.951 -13.651 1.090 1.00 29.86 N +ATOM 2785 CA ASP B 89 52.898 -14.688 1.533 1.00 29.75 C +ATOM 2786 C ASP B 89 52.979 -14.878 3.053 1.00 29.22 C +ATOM 2787 O ASP B 89 53.848 -15.599 3.544 1.00 28.70 O +ATOM 2788 CB ASP B 89 54.295 -14.426 0.974 1.00 29.84 C +ATOM 2789 CG ASP B 89 54.917 -13.170 1.517 1.00 31.75 C +ATOM 2790 OD1 ASP B 89 54.403 -12.603 2.522 1.00 32.41 O +ATOM 2791 OD2 ASP B 89 55.927 -12.749 0.926 1.00 35.30 O +ATOM 2792 N PHE B 90 52.094 -14.232 3.806 1.00 28.17 N +ATOM 2793 CA PHE B 90 51.990 -14.500 5.240 1.00 28.52 C +ATOM 2794 C PHE B 90 50.563 -14.194 5.647 1.00 28.35 C +ATOM 2795 O PHE B 90 50.000 -13.224 5.161 1.00 28.60 O +ATOM 2796 CB PHE B 90 52.981 -13.643 6.062 1.00 28.45 C +ATOM 2797 CG PHE B 90 52.921 -13.905 7.548 1.00 28.62 C +ATOM 2798 CD1 PHE B 90 53.594 -14.982 8.106 1.00 24.13 C +ATOM 2799 CD2 PHE B 90 52.177 -13.076 8.386 1.00 31.59 C +ATOM 2800 CE1 PHE B 90 53.523 -15.236 9.474 1.00 26.03 C +ATOM 2801 CE2 PHE B 90 52.107 -13.322 9.746 1.00 32.45 C +ATOM 2802 CZ PHE B 90 52.778 -14.402 10.291 1.00 30.13 C +ATOM 2803 N PRO B 91 49.974 -15.017 6.528 1.00 28.53 N +ATOM 2804 CA PRO B 91 50.476 -16.245 7.117 1.00 28.72 C +ATOM 2805 C PRO B 91 50.263 -17.453 6.193 1.00 28.18 C +ATOM 2806 O PRO B 91 50.515 -18.589 6.604 1.00 28.47 O +ATOM 2807 CB PRO B 91 49.636 -16.368 8.381 1.00 29.04 C +ATOM 2808 CG PRO B 91 48.328 -15.866 7.960 1.00 29.03 C +ATOM 2809 CD PRO B 91 48.633 -14.699 7.049 1.00 28.85 C +ATOM 2810 N PHE B 92 49.759 -17.189 4.984 1.00 27.67 N +ATOM 2811 CA PHE B 92 49.556 -18.215 3.958 1.00 26.51 C +ATOM 2812 C PHE B 92 49.913 -17.690 2.570 1.00 24.47 C +ATOM 2813 O PHE B 92 50.047 -16.503 2.324 1.00 24.82 O +ATOM 2814 CB PHE B 92 48.098 -18.698 3.962 1.00 27.44 C +ATOM 2815 CG PHE B 92 47.102 -17.581 3.854 1.00 28.27 C +ATOM 2816 CD1 PHE B 92 46.543 -17.028 4.995 1.00 29.07 C +ATOM 2817 CD2 PHE B 92 46.758 -17.050 2.614 1.00 29.63 C +ATOM 2818 CE1 PHE B 92 45.632 -15.984 4.898 1.00 29.52 C +ATOM 2819 CE2 PHE B 92 45.843 -15.995 2.510 1.00 29.75 C +ATOM 2820 CZ PHE B 92 45.289 -15.463 3.650 1.00 28.94 C +ATOM 2821 N LEU B 93 50.031 -18.610 1.628 1.00 22.82 N +ATOM 2822 CA LEU B 93 50.438 -18.263 0.289 1.00 21.54 C +ATOM 2823 C LEU B 93 49.225 -18.206 -0.646 1.00 20.78 C +ATOM 2824 O LEU B 93 48.718 -19.235 -1.082 1.00 21.01 O +ATOM 2825 CB LEU B 93 51.469 -19.279 -0.200 1.00 21.39 C +ATOM 2826 CG LEU B 93 52.101 -19.061 -1.559 1.00 21.40 C +ATOM 2827 CD1 LEU B 93 52.698 -17.675 -1.774 1.00 23.95 C +ATOM 2828 CD2 LEU B 93 53.152 -20.171 -1.739 1.00 21.63 C +ATOM 2829 N LEU B 94 48.773 -16.990 -0.931 1.00 20.41 N +ATOM 2830 CA LEU B 94 47.625 -16.758 -1.806 1.00 20.61 C +ATOM 2831 C LEU B 94 48.128 -16.355 -3.187 1.00 21.08 C +ATOM 2832 O LEU B 94 48.923 -15.415 -3.327 1.00 21.94 O +ATOM 2833 CB LEU B 94 46.756 -15.637 -1.256 1.00 20.14 C +ATOM 2834 CG LEU B 94 45.411 -15.415 -1.961 1.00 20.47 C +ATOM 2835 CD1 LEU B 94 44.502 -16.600 -1.770 1.00 21.51 C +ATOM 2836 CD2 LEU B 94 44.773 -14.155 -1.436 1.00 21.42 C +ATOM 2837 N VAL B 95 47.671 -17.074 -4.205 1.00 20.76 N +ATOM 2838 CA VAL B 95 48.157 -16.888 -5.551 1.00 21.70 C +ATOM 2839 C VAL B 95 47.002 -16.871 -6.544 1.00 23.50 C +ATOM 2840 O VAL B 95 45.894 -17.306 -6.218 1.00 23.47 O +ATOM 2841 CB VAL B 95 49.185 -18.009 -5.940 1.00 20.94 C +ATOM 2842 CG1 VAL B 95 50.346 -18.040 -4.939 1.00 20.17 C +ATOM 2843 CG2 VAL B 95 48.519 -19.390 -6.004 1.00 21.06 C +ATOM 2844 N LYS B 96 47.265 -16.333 -7.729 1.00 26.67 N +ATOM 2845 CA LYS B 96 46.412 -16.526 -8.902 1.00 28.26 C +ATOM 2846 C LYS B 96 46.977 -17.751 -9.608 1.00 28.99 C +ATOM 2847 O LYS B 96 48.107 -17.680 -10.126 1.00 29.18 O +ATOM 2848 CB LYS B 96 46.480 -15.296 -9.811 1.00 29.25 C +ATOM 2849 CG LYS B 96 45.995 -15.477 -11.257 1.00 30.13 C +ATOM 2850 CD LYS B 96 44.553 -15.971 -11.351 1.00 31.97 C +ATOM 2851 CE LYS B 96 44.003 -15.874 -12.786 1.00 32.04 C +ATOM 2852 NZ LYS B 96 42.513 -15.959 -12.905 1.00 32.72 N +ATOM 2853 N ALA B 97 46.231 -18.867 -9.569 1.00 29.31 N +ATOM 2854 CA ALA B 97 46.715 -20.197 -9.997 1.00 30.17 C +ATOM 2855 C ALA B 97 46.560 -20.405 -11.486 1.00 31.93 C +ATOM 2856 O ALA B 97 45.648 -19.864 -12.105 1.00 32.49 O +ATOM 2857 CB ALA B 97 45.987 -21.311 -9.257 1.00 30.06 C +ATOM 2858 N LYS B 98 47.435 -21.229 -12.056 1.00 33.44 N +ATOM 2859 CA LYS B 98 47.453 -21.434 -13.505 1.00 34.72 C +ATOM 2860 C LYS B 98 46.113 -21.934 -14.068 1.00 34.90 C +ATOM 2861 O LYS B 98 45.744 -21.560 -15.188 1.00 35.65 O +ATOM 2862 CB LYS B 98 48.608 -22.362 -13.907 1.00 34.83 C +ATOM 2863 CG LYS B 98 49.951 -21.652 -14.016 1.00 35.40 C +ATOM 2864 CD LYS B 98 51.057 -22.618 -14.416 1.00 35.85 C +ATOM 2865 CE LYS B 98 52.394 -21.928 -14.576 1.00 36.11 C +ATOM 2866 NZ LYS B 98 53.416 -22.895 -15.064 1.00 37.56 N +ATOM 2867 N PHE B 99 45.390 -22.765 -13.304 1.00 35.07 N +ATOM 2868 CA PHE B 99 44.067 -23.261 -13.730 1.00 34.64 C +ATOM 2869 C PHE B 99 42.931 -22.245 -13.530 1.00 34.62 C +ATOM 2870 O PHE B 99 41.849 -22.414 -14.112 1.00 35.71 O +ATOM 2871 CB PHE B 99 43.721 -24.643 -13.125 1.00 34.42 C +ATOM 2872 CG PHE B 99 43.361 -24.638 -11.644 1.00 34.01 C +ATOM 2873 CD1 PHE B 99 44.353 -24.511 -10.665 1.00 34.10 C +ATOM 2874 CD2 PHE B 99 42.029 -24.837 -11.237 1.00 33.21 C +ATOM 2875 CE1 PHE B 99 44.030 -24.532 -9.309 1.00 33.31 C +ATOM 2876 CE2 PHE B 99 41.690 -24.851 -9.900 1.00 34.34 C +ATOM 2877 CZ PHE B 99 42.682 -24.718 -8.922 1.00 33.10 C +ATOM 2878 N GLY B 100 43.170 -21.208 -12.724 1.00 33.78 N +ATOM 2879 CA GLY B 100 42.318 -19.997 -12.706 1.00 32.99 C +ATOM 2880 C GLY B 100 41.923 -19.465 -11.333 1.00 31.33 C +ATOM 2881 O GLY B 100 41.731 -18.265 -11.142 1.00 31.91 O +ATOM 2882 N ASN B 101 41.807 -20.368 -10.376 1.00 29.45 N +ATOM 2883 CA ASN B 101 41.273 -20.063 -9.060 1.00 28.22 C +ATOM 2884 C ASN B 101 42.310 -19.166 -8.345 1.00 28.26 C +ATOM 2885 O ASN B 101 43.502 -19.507 -8.346 1.00 29.10 O +ATOM 2886 CB ASN B 101 40.979 -21.408 -8.343 1.00 27.51 C +ATOM 2887 CG ASN B 101 40.034 -21.293 -7.129 1.00 27.76 C +ATOM 2888 OD1 ASN B 101 40.068 -22.156 -6.247 1.00 30.71 O +ATOM 2889 ND2 ASN B 101 39.206 -20.260 -7.073 1.00 24.85 N +ATOM 2890 N VAL B 102 41.909 -17.976 -7.858 1.00 27.46 N +ATOM 2891 CA VAL B 102 42.713 -17.254 -6.861 1.00 26.32 C +ATOM 2892 C VAL B 102 42.523 -18.124 -5.638 1.00 25.17 C +ATOM 2893 O VAL B 102 41.405 -18.326 -5.152 1.00 25.76 O +ATOM 2894 CB VAL B 102 42.273 -15.775 -6.534 1.00 25.74 C +ATOM 2895 CG1 VAL B 102 42.956 -15.297 -5.265 1.00 25.83 C +ATOM 2896 CG2 VAL B 102 42.569 -14.812 -7.681 1.00 26.79 C +ATOM 2897 N CYS B 103 43.603 -18.712 -5.159 1.00 23.38 N +ATOM 2898 CA CYS B 103 43.475 -19.715 -4.136 1.00 22.85 C +ATOM 2899 C CYS B 103 44.761 -19.895 -3.356 1.00 21.41 C +ATOM 2900 O CYS B 103 45.842 -19.495 -3.824 1.00 20.17 O +ATOM 2901 CB CYS B 103 43.054 -21.039 -4.757 1.00 23.35 C +ATOM 2902 SG CYS B 103 44.133 -21.603 -6.091 1.00 26.28 S +ATOM 2903 N VAL B 104 44.645 -20.474 -2.164 1.00 20.94 N +ATOM 2904 CA VAL B 104 45.805 -20.742 -1.341 1.00 21.15 C +ATOM 2905 C VAL B 104 46.555 -21.924 -1.950 1.00 20.05 C +ATOM 2906 O VAL B 104 45.950 -22.901 -2.424 1.00 20.31 O +ATOM 2907 CB VAL B 104 45.408 -20.972 0.143 1.00 21.62 C +ATOM 2908 CG1 VAL B 104 46.542 -21.573 0.968 1.00 23.88 C +ATOM 2909 CG2 VAL B 104 44.936 -19.654 0.760 1.00 23.21 C +ATOM 2910 N ASN B 105 47.877 -21.786 -2.006 1.00 19.05 N +ATOM 2911 CA ASN B 105 48.782 -22.838 -2.491 1.00 18.28 C +ATOM 2912 C ASN B 105 48.532 -23.283 -3.940 1.00 17.81 C +ATOM 2913 O ASN B 105 48.870 -24.404 -4.306 1.00 16.99 O +ATOM 2914 CB ASN B 105 48.742 -24.068 -1.574 1.00 18.87 C +ATOM 2915 CG ASN B 105 49.155 -23.770 -0.158 1.00 19.87 C +ATOM 2916 OD1 ASN B 105 48.686 -24.422 0.770 1.00 24.94 O +ATOM 2917 ND2 ASN B 105 50.019 -22.796 0.021 1.00 17.28 N +ATOM 2918 N ALA B 106 47.943 -22.415 -4.754 1.00 18.28 N +ATOM 2919 CA ALA B 106 47.639 -22.735 -6.171 1.00 18.25 C +ATOM 2920 C ALA B 106 46.791 -23.998 -6.349 1.00 18.18 C +ATOM 2921 O ALA B 106 46.839 -24.664 -7.404 1.00 18.66 O +ATOM 2922 CB ALA B 106 48.923 -22.829 -7.003 1.00 19.23 C +ATOM 2923 N GLY B 107 46.030 -24.334 -5.321 1.00 18.12 N +ATOM 2924 CA GLY B 107 45.200 -25.518 -5.346 1.00 18.29 C +ATOM 2925 C GLY B 107 45.983 -26.798 -5.342 1.00 17.60 C +ATOM 2926 O GLY B 107 45.448 -27.824 -5.753 1.00 18.83 O +ATOM 2927 N ILE B 108 47.253 -26.734 -4.909 1.00 16.62 N +ATOM 2928 CA ILE B 108 48.051 -27.934 -4.627 1.00 16.97 C +ATOM 2929 C ILE B 108 47.716 -28.400 -3.228 1.00 17.38 C +ATOM 2930 O ILE B 108 47.694 -27.588 -2.302 1.00 18.71 O +ATOM 2931 CB ILE B 108 49.571 -27.668 -4.726 1.00 16.74 C +ATOM 2932 CG1 ILE B 108 49.900 -27.198 -6.142 1.00 17.11 C +ATOM 2933 CG2 ILE B 108 50.379 -28.900 -4.314 1.00 16.86 C +ATOM 2934 CD1 ILE B 108 51.337 -26.758 -6.345 1.00 18.37 C +ATOM 2935 N ASP B 109 47.486 -29.692 -3.059 1.00 16.81 N +ATOM 2936 CA ASP B 109 47.083 -30.249 -1.797 1.00 17.67 C +ATOM 2937 C ASP B 109 48.097 -31.284 -1.351 1.00 18.77 C +ATOM 2938 O ASP B 109 48.503 -32.145 -2.138 1.00 19.07 O +ATOM 2939 CB ASP B 109 45.698 -30.890 -1.982 1.00 17.61 C +ATOM 2940 CG ASP B 109 44.862 -30.808 -0.732 1.00 17.35 C +ATOM 2941 OD1 ASP B 109 45.422 -31.131 0.328 1.00 19.89 O +ATOM 2942 OD2 ASP B 109 43.658 -30.462 -0.825 1.00 17.83 O +ATOM 2943 N ALA B 110 48.499 -31.229 -0.088 1.00 20.48 N +ATOM 2944 CA ALA B 110 49.393 -32.258 0.439 1.00 21.32 C +ATOM 2945 C ALA B 110 48.694 -33.272 1.286 1.00 21.77 C +ATOM 2946 O ALA B 110 49.347 -34.066 1.920 1.00 23.05 O +ATOM 2947 CB ALA B 110 50.594 -31.670 1.203 1.00 22.92 C +ATOM 2948 N SER B 111 47.367 -33.270 1.307 1.00 20.46 N +ATOM 2949 CA SER B 111 46.611 -34.237 2.076 1.00 20.27 C +ATOM 2950 C SER B 111 45.908 -35.242 1.173 1.00 19.06 C +ATOM 2951 O SER B 111 45.662 -34.980 -0.021 1.00 20.05 O +ATOM 2952 CB SER B 111 45.609 -33.527 2.997 1.00 20.74 C +ATOM 2953 OG SER B 111 46.283 -32.756 4.012 1.00 23.09 O +ATOM 2954 N ASN B 112 45.568 -36.383 1.755 1.00 18.07 N +ATOM 2955 CA ASN B 112 44.884 -37.467 1.038 1.00 17.44 C +ATOM 2956 C ASN B 112 45.721 -38.060 -0.115 1.00 18.18 C +ATOM 2957 O ASN B 112 45.183 -38.644 -1.061 1.00 18.13 O +ATOM 2958 CB ASN B 112 43.449 -37.052 0.647 1.00 17.50 C +ATOM 2959 CG ASN B 112 42.480 -37.277 1.780 1.00 17.70 C +ATOM 2960 OD1 ASN B 112 42.629 -38.218 2.579 1.00 19.64 O +ATOM 2961 ND2 ASN B 112 41.489 -36.420 1.879 1.00 16.35 N +ATOM 2962 N AVAL B 113 47.040 -37.947 0.015 0.50 18.40 N +ATOM 2963 N BVAL B 113 47.039 -37.909 -0.006 0.50 18.49 N +ATOM 2964 CA AVAL B 113 48.006 -38.548 -0.894 0.50 18.90 C +ATOM 2965 CA BVAL B 113 48.007 -38.586 -0.856 0.50 19.03 C +ATOM 2966 C AVAL B 113 49.154 -39.016 -0.003 0.50 19.24 C +ATOM 2967 C BVAL B 113 49.067 -39.151 0.073 0.50 19.47 C +ATOM 2968 O AVAL B 113 49.328 -38.495 1.109 0.50 18.43 O +ATOM 2969 O BVAL B 113 49.097 -38.851 1.278 0.50 19.23 O +ATOM 2970 CB AVAL B 113 48.466 -37.539 -1.964 0.50 18.97 C +ATOM 2971 CB BVAL B 113 48.654 -37.646 -1.890 0.50 19.07 C +ATOM 2972 CG1AVAL B 113 49.445 -36.534 -1.387 0.50 18.84 C +ATOM 2973 CG1BVAL B 113 47.691 -37.385 -3.059 0.50 18.92 C +ATOM 2974 CG2AVAL B 113 49.073 -38.263 -3.158 0.50 19.61 C +ATOM 2975 CG2BVAL B 113 49.134 -36.354 -1.228 0.50 18.89 C +ATOM 2976 N GLU B 114 49.919 -40.001 -0.477 1.00 19.90 N +ATOM 2977 CA GLU B 114 50.980 -40.616 0.311 1.00 21.01 C +ATOM 2978 C GLU B 114 51.976 -39.570 0.808 1.00 20.76 C +ATOM 2979 O GLU B 114 52.254 -38.582 0.151 1.00 19.53 O +ATOM 2980 CB GLU B 114 51.699 -41.701 -0.510 1.00 22.59 C +ATOM 2981 CG GLU B 114 50.812 -42.875 -0.906 1.00 26.84 C +ATOM 2982 CD GLU B 114 50.058 -42.696 -2.241 1.00 29.35 C +ATOM 2983 OE1 GLU B 114 49.809 -41.544 -2.718 1.00 26.87 O +ATOM 2984 OE2 GLU B 114 49.719 -43.747 -2.832 1.00 33.16 O +ATOM 2985 N GLU B 115 52.543 -39.820 1.985 1.00 21.90 N +ATOM 2986 CA GLU B 115 53.515 -38.929 2.558 1.00 23.17 C +ATOM 2987 C GLU B 115 54.672 -38.697 1.595 1.00 21.48 C +ATOM 2988 O GLU B 115 55.160 -39.640 0.989 1.00 21.54 O +ATOM 2989 CB GLU B 115 54.033 -39.550 3.842 1.00 24.52 C +ATOM 2990 CG GLU B 115 54.894 -38.652 4.675 1.00 28.26 C +ATOM 2991 CD GLU B 115 55.031 -39.217 6.063 1.00 32.45 C +ATOM 2992 OE1 GLU B 115 55.721 -40.245 6.218 1.00 35.83 O +ATOM 2993 OE2 GLU B 115 54.396 -38.664 6.976 1.00 35.62 O +ATOM 2994 N GLY B 116 55.079 -37.441 1.440 1.00 20.16 N +ATOM 2995 CA GLY B 116 56.157 -37.085 0.542 1.00 19.81 C +ATOM 2996 C GLY B 116 55.683 -36.694 -0.842 1.00 18.77 C +ATOM 2997 O GLY B 116 56.485 -36.293 -1.659 1.00 19.17 O +ATOM 2998 N SER B 117 54.372 -36.788 -1.083 1.00 18.36 N +ATOM 2999 CA SER B 117 53.799 -36.429 -2.374 1.00 18.06 C +ATOM 3000 C SER B 117 52.848 -35.232 -2.237 1.00 16.87 C +ATOM 3001 O SER B 117 52.411 -34.887 -1.116 1.00 17.63 O +ATOM 3002 CB SER B 117 53.069 -37.631 -2.970 1.00 18.44 C +ATOM 3003 OG SER B 117 53.977 -38.663 -3.332 1.00 21.10 O +ATOM 3004 N ALEU B 118 52.490 -34.685 -3.395 0.50 16.25 N +ATOM 3005 N BLEU B 118 52.619 -34.533 -3.346 0.50 16.46 N +ATOM 3006 CA ALEU B 118 51.595 -33.543 -3.528 0.50 15.46 C +ATOM 3007 CA BLEU B 118 51.614 -33.472 -3.409 0.50 15.75 C +ATOM 3008 C ALEU B 118 50.586 -33.882 -4.625 0.50 14.98 C +ATOM 3009 C BLEU B 118 50.767 -33.655 -4.650 0.50 14.84 C +ATOM 3010 O ALEU B 118 50.905 -34.618 -5.549 0.50 14.66 O +ATOM 3011 O BLEU B 118 51.175 -34.237 -5.650 0.50 14.26 O +ATOM 3012 CB ALEU B 118 52.408 -32.303 -3.915 0.50 15.39 C +ATOM 3013 CB BLEU B 118 52.237 -32.073 -3.372 0.50 15.59 C +ATOM 3014 CG ALEU B 118 53.572 -31.908 -3.000 0.50 15.53 C +ATOM 3015 CG BLEU B 118 53.288 -31.694 -4.413 0.50 16.83 C +ATOM 3016 CD1ALEU B 118 54.254 -30.654 -3.460 0.50 16.97 C +ATOM 3017 CD1BLEU B 118 52.645 -31.491 -5.784 0.50 16.18 C +ATOM 3018 CD2ALEU B 118 53.019 -31.725 -1.610 0.50 16.00 C +ATOM 3019 CD2BLEU B 118 54.049 -30.423 -4.011 0.50 16.61 C +ATOM 3020 N ALEU B 119 49.362 -33.362 -4.505 0.50 14.80 N +ATOM 3021 N BLEU B 119 49.565 -33.112 -4.591 0.50 14.27 N +ATOM 3022 CA ALEU B 119 48.351 -33.390 -5.579 0.50 15.11 C +ATOM 3023 CA BLEU B 119 48.589 -33.364 -5.610 0.50 14.30 C +ATOM 3024 C ALEU B 119 48.297 -32.037 -6.303 0.50 14.34 C +ATOM 3025 C BLEU B 119 48.294 -32.060 -6.314 0.50 13.93 C +ATOM 3026 O ALEU B 119 47.910 -31.030 -5.709 0.50 14.62 O +ATOM 3027 O BLEU B 119 47.758 -31.121 -5.726 0.50 14.56 O +ATOM 3028 CB ALEU B 119 46.953 -33.701 -5.005 0.50 16.06 C +ATOM 3029 CB BLEU B 119 47.344 -33.941 -4.973 0.50 14.92 C +ATOM 3030 CG ALEU B 119 46.515 -35.174 -4.918 0.50 17.80 C +ATOM 3031 CG BLEU B 119 46.358 -34.450 -6.010 0.50 13.68 C +ATOM 3032 CD1ALEU B 119 45.035 -35.340 -4.591 0.50 18.61 C +ATOM 3033 CD1BLEU B 119 46.938 -35.574 -6.897 0.50 14.76 C +ATOM 3034 CD2ALEU B 119 46.792 -35.891 -6.220 0.50 20.50 C +ATOM 3035 CD2BLEU B 119 45.084 -34.869 -5.288 0.50 15.78 C +ATOM 3036 N LEU B 120 48.686 -31.983 -7.579 1.00 14.13 N +ATOM 3037 CA LEU B 120 48.507 -30.793 -8.363 1.00 13.54 C +ATOM 3038 C LEU B 120 47.030 -30.721 -8.804 1.00 12.79 C +ATOM 3039 O LEU B 120 46.359 -31.754 -8.956 1.00 13.36 O +ATOM 3040 CB LEU B 120 49.417 -30.787 -9.606 1.00 15.12 C +ATOM 3041 CG LEU B 120 50.930 -30.745 -9.426 1.00 17.80 C +ATOM 3042 CD1 LEU B 120 51.634 -30.679 -10.775 1.00 20.94 C +ATOM 3043 CD2 LEU B 120 51.316 -29.612 -8.606 1.00 21.14 C +ATOM 3044 N PRO B 121 46.539 -29.508 -9.059 1.00 13.32 N +ATOM 3045 CA PRO B 121 45.150 -29.374 -9.519 1.00 13.99 C +ATOM 3046 C PRO B 121 45.018 -29.985 -10.924 1.00 13.06 C +ATOM 3047 O PRO B 121 46.005 -30.101 -11.666 1.00 13.77 O +ATOM 3048 CB PRO B 121 44.938 -27.866 -9.594 1.00 15.55 C +ATOM 3049 CG PRO B 121 46.325 -27.303 -9.720 1.00 17.40 C +ATOM 3050 CD PRO B 121 47.207 -28.203 -8.927 1.00 14.13 C +ATOM 3051 N PRO B 122 43.805 -30.350 -11.328 1.00 12.58 N +ATOM 3052 CA PRO B 122 43.612 -30.842 -12.705 1.00 12.75 C +ATOM 3053 C PRO B 122 44.000 -29.768 -13.711 1.00 13.73 C +ATOM 3054 O PRO B 122 43.800 -28.588 -13.466 1.00 14.06 O +ATOM 3055 CB PRO B 122 42.097 -31.126 -12.755 1.00 13.03 C +ATOM 3056 CG PRO B 122 41.704 -31.268 -11.297 1.00 13.82 C +ATOM 3057 CD PRO B 122 42.548 -30.315 -10.571 1.00 12.85 C +ATOM 3058 N LEU B 123 44.551 -30.180 -14.844 1.00 14.26 N +ATOM 3059 CA LEU B 123 44.943 -29.241 -15.889 1.00 15.28 C +ATOM 3060 C LEU B 123 43.757 -28.470 -16.470 1.00 14.71 C +ATOM 3061 O LEU B 123 43.867 -27.291 -16.841 1.00 16.06 O +ATOM 3062 CB LEU B 123 45.643 -30.004 -17.012 1.00 16.04 C +ATOM 3063 CG LEU B 123 47.052 -30.540 -16.711 1.00 18.40 C +ATOM 3064 CD1 LEU B 123 47.479 -31.508 -17.838 1.00 20.99 C +ATOM 3065 CD2 LEU B 123 48.069 -29.387 -16.527 1.00 21.79 C +ATOM 3066 N ASP B 124 42.630 -29.138 -16.568 1.00 13.14 N +ATOM 3067 CA ASP B 124 41.424 -28.544 -17.165 1.00 13.48 C +ATOM 3068 C ASP B 124 40.187 -29.110 -16.466 1.00 12.94 C +ATOM 3069 O ASP B 124 39.545 -30.037 -16.960 1.00 12.74 O +ATOM 3070 CB ASP B 124 41.357 -28.820 -18.677 1.00 13.78 C +ATOM 3071 CG ASP B 124 40.141 -28.210 -19.336 1.00 13.73 C +ATOM 3072 OD1 ASP B 124 39.411 -27.466 -18.657 1.00 15.80 O +ATOM 3073 OD2 ASP B 124 39.907 -28.462 -20.539 1.00 15.77 O +ATOM 3074 N PRO B 125 39.843 -28.563 -15.289 1.00 12.11 N +ATOM 3075 CA PRO B 125 38.702 -29.090 -14.560 1.00 12.30 C +ATOM 3076 C PRO B 125 37.347 -29.030 -15.297 1.00 11.90 C +ATOM 3077 O PRO B 125 36.557 -29.953 -15.137 1.00 11.77 O +ATOM 3078 CB PRO B 125 38.682 -28.259 -13.274 1.00 13.33 C +ATOM 3079 CG PRO B 125 39.979 -27.620 -13.169 1.00 15.65 C +ATOM 3080 CD PRO B 125 40.547 -27.501 -14.560 1.00 12.73 C +ATOM 3081 N ASP B 126 37.089 -27.996 -16.091 1.00 12.43 N +ATOM 3082 CA ASP B 126 35.857 -27.969 -16.882 1.00 12.00 C +ATOM 3083 C ASP B 126 35.837 -29.142 -17.885 1.00 12.74 C +ATOM 3084 O ASP B 126 34.831 -29.822 -18.069 1.00 13.15 O +ATOM 3085 CB ASP B 126 35.714 -26.652 -17.652 1.00 12.38 C +ATOM 3086 CG ASP B 126 35.213 -25.480 -16.808 1.00 13.76 C +ATOM 3087 OD1 ASP B 126 34.805 -25.637 -15.651 1.00 14.26 O +ATOM 3088 OD2 ASP B 126 35.254 -24.341 -17.308 1.00 16.68 O +ATOM 3089 N GLY B 127 36.992 -29.419 -18.499 1.00 12.51 N +ATOM 3090 CA GLY B 127 37.146 -30.559 -19.390 1.00 12.64 C +ATOM 3091 C GLY B 127 36.908 -31.864 -18.684 1.00 12.10 C +ATOM 3092 O GLY B 127 36.240 -32.759 -19.182 1.00 13.19 O +ATOM 3093 N SER B 128 37.475 -32.002 -17.486 1.00 12.00 N +ATOM 3094 CA SER B 128 37.256 -33.201 -16.697 1.00 12.48 C +ATOM 3095 C SER B 128 35.765 -33.408 -16.393 1.00 11.44 C +ATOM 3096 O SER B 128 35.227 -34.518 -16.470 1.00 12.01 O +ATOM 3097 CB SER B 128 38.064 -33.142 -15.382 1.00 12.29 C +ATOM 3098 OG SER B 128 39.443 -32.961 -15.607 1.00 14.95 O +ATOM 3099 N ALA B 129 35.096 -32.341 -15.996 1.00 11.70 N +ATOM 3100 CA ALA B 129 33.668 -32.382 -15.695 1.00 11.23 C +ATOM 3101 C ALA B 129 32.842 -32.783 -16.922 1.00 12.29 C +ATOM 3102 O ALA B 129 31.938 -33.616 -16.845 1.00 11.43 O +ATOM 3103 CB ALA B 129 33.225 -31.006 -15.163 1.00 11.77 C +ATOM 3104 N GLU B 130 33.206 -32.250 -18.061 1.00 12.11 N +ATOM 3105 CA GLU B 130 32.534 -32.539 -19.331 1.00 11.68 C +ATOM 3106 C GLU B 130 32.678 -33.985 -19.756 1.00 12.68 C +ATOM 3107 O GLU B 130 31.709 -34.619 -20.166 1.00 11.89 O +ATOM 3108 CB GLU B 130 33.092 -31.609 -20.375 1.00 11.60 C +ATOM 3109 CG GLU B 130 32.477 -31.721 -21.742 1.00 12.59 C +ATOM 3110 CD GLU B 130 33.104 -30.737 -22.658 1.00 14.11 C +ATOM 3111 OE1 GLU B 130 34.224 -31.012 -23.100 1.00 14.50 O +ATOM 3112 OE2 GLU B 130 32.485 -29.681 -22.873 1.00 16.91 O +ATOM 3113 N LYS B 131 33.868 -34.532 -19.603 1.00 12.08 N +ATOM 3114 CA LYS B 131 34.102 -35.908 -19.942 1.00 14.32 C +ATOM 3115 C LYS B 131 33.339 -36.815 -19.025 1.00 12.66 C +ATOM 3116 O LYS B 131 32.798 -37.840 -19.442 1.00 13.38 O +ATOM 3117 CB LYS B 131 35.597 -36.197 -19.934 1.00 14.63 C +ATOM 3118 CG LYS B 131 36.245 -35.633 -21.196 1.00 17.62 C +ATOM 3119 CD LYS B 131 37.760 -35.725 -21.176 1.00 19.13 C +ATOM 3120 CE LYS B 131 38.378 -35.257 -22.506 1.00 21.12 C +ATOM 3121 NZ LYS B 131 37.993 -33.871 -22.884 1.00 21.66 N +ATOM 3122 N LEU B 132 33.309 -36.488 -17.737 1.00 12.69 N +ATOM 3123 CA LEU B 132 32.549 -37.302 -16.800 1.00 13.53 C +ATOM 3124 C LEU B 132 31.060 -37.303 -17.177 1.00 12.34 C +ATOM 3125 O LEU B 132 30.389 -38.335 -17.192 1.00 13.27 O +ATOM 3126 CB LEU B 132 32.738 -36.780 -15.373 1.00 15.69 C +ATOM 3127 CG LEU B 132 33.055 -37.769 -14.257 1.00 21.91 C +ATOM 3128 CD1 LEU B 132 33.070 -37.021 -12.927 1.00 22.93 C +ATOM 3129 CD2 LEU B 132 32.131 -38.967 -14.226 1.00 25.32 C +ATOM 3130 N ARG B 133 30.530 -36.119 -17.432 1.00 12.57 N +ATOM 3131 CA ARG B 133 29.135 -35.954 -17.823 1.00 12.40 C +ATOM 3132 C ARG B 133 28.798 -36.742 -19.099 1.00 12.63 C +ATOM 3133 O ARG B 133 27.785 -37.429 -19.165 1.00 12.54 O +ATOM 3134 CB ARG B 133 28.845 -34.468 -18.039 1.00 11.75 C +ATOM 3135 CG ARG B 133 27.484 -34.204 -18.602 1.00 13.80 C +ATOM 3136 CD ARG B 133 27.280 -32.743 -18.734 1.00 17.55 C +ATOM 3137 NE ARG B 133 26.094 -32.379 -19.494 1.00 20.51 N +ATOM 3138 CZ ARG B 133 26.046 -31.410 -20.416 1.00 24.76 C +ATOM 3139 NH1 ARG B 133 27.112 -30.671 -20.734 1.00 29.14 N +ATOM 3140 NH2 ARG B 133 24.897 -31.155 -21.034 1.00 25.92 N +ATOM 3141 N ARG B 134 29.678 -36.672 -20.077 1.00 13.00 N +ATOM 3142 CA ARG B 134 29.490 -37.401 -21.322 1.00 12.87 C +ATOM 3143 C ARG B 134 29.499 -38.898 -21.118 1.00 12.49 C +ATOM 3144 O ARG B 134 28.646 -39.601 -21.669 1.00 12.12 O +ATOM 3145 CB ARG B 134 30.584 -37.008 -22.301 1.00 12.89 C +ATOM 3146 CG ARG B 134 30.535 -37.697 -23.683 1.00 14.19 C +ATOM 3147 CD ARG B 134 29.212 -37.571 -24.356 1.00 17.41 C +ATOM 3148 NE ARG B 134 28.957 -36.190 -24.678 1.00 15.94 N +ATOM 3149 CZ ARG B 134 27.923 -35.762 -25.372 1.00 19.13 C +ATOM 3150 NH1 ARG B 134 27.028 -36.620 -25.843 1.00 22.08 N +ATOM 3151 NH2 ARG B 134 27.799 -34.482 -25.594 1.00 20.15 N +ATOM 3152 N ARG B 135 30.457 -39.412 -20.329 1.00 12.21 N +ATOM 3153 CA ARG B 135 30.509 -40.850 -20.099 1.00 12.82 C +ATOM 3154 C ARG B 135 29.302 -41.334 -19.312 1.00 12.39 C +ATOM 3155 O ARG B 135 28.774 -42.395 -19.613 1.00 13.08 O +ATOM 3156 CB ARG B 135 31.835 -41.321 -19.481 1.00 14.04 C +ATOM 3157 CG ARG B 135 32.015 -42.846 -19.496 1.00 14.75 C +ATOM 3158 CD ARG B 135 31.955 -43.428 -20.920 1.00 17.55 C +ATOM 3159 NE ARG B 135 32.128 -44.872 -20.929 1.00 18.11 N +ATOM 3160 CZ ARG B 135 31.753 -45.664 -21.912 1.00 18.01 C +ATOM 3161 NH1 ARG B 135 31.164 -45.185 -22.986 1.00 19.07 N +ATOM 3162 NH2 ARG B 135 31.971 -46.948 -21.795 1.00 20.28 N +ATOM 3163 N ILE B 136 28.847 -40.559 -18.327 0.80 10.54 N +ATOM 3164 CA ILE B 136 27.618 -40.898 -17.639 0.80 11.29 C +ATOM 3165 C ILE B 136 26.452 -40.976 -18.613 0.80 11.34 C +ATOM 3166 O ILE B 136 25.652 -41.899 -18.556 0.80 12.49 O +ATOM 3167 CB ILE B 136 27.328 -39.934 -16.476 0.80 11.11 C +ATOM 3168 CG1 ILE B 136 28.332 -40.160 -15.354 0.80 12.64 C +ATOM 3169 CG2 ILE B 136 25.894 -40.081 -15.966 0.80 12.53 C +ATOM 3170 CD1 ILE B 136 28.342 -39.057 -14.375 0.80 13.81 C +ATOM 3171 N LEU B 137 26.355 -40.039 -19.538 1.00 12.61 N +ATOM 3172 CA LEU B 137 25.294 -40.118 -20.529 1.00 12.92 C +ATOM 3173 C LEU B 137 25.384 -41.400 -21.354 1.00 13.40 C +ATOM 3174 O LEU B 137 24.376 -42.061 -21.576 1.00 14.56 O +ATOM 3175 CB LEU B 137 25.334 -38.935 -21.468 1.00 12.95 C +ATOM 3176 CG LEU B 137 24.259 -38.889 -22.573 1.00 13.75 C +ATOM 3177 CD1 LEU B 137 22.846 -38.917 -22.077 1.00 16.87 C +ATOM 3178 CD2 LEU B 137 24.489 -37.630 -23.409 1.00 16.17 C +ATOM 3179 N GLU B 138 26.584 -41.761 -21.778 1.00 13.35 N +ATOM 3180 CA GLU B 138 26.798 -43.009 -22.538 1.00 14.17 C +ATOM 3181 C GLU B 138 26.451 -44.247 -21.739 1.00 15.12 C +ATOM 3182 O GLU B 138 25.858 -45.180 -22.282 1.00 17.24 O +ATOM 3183 CB GLU B 138 28.234 -43.047 -23.046 1.00 13.95 C +ATOM 3184 CG GLU B 138 28.485 -42.020 -24.132 1.00 13.56 C +ATOM 3185 CD GLU B 138 29.940 -41.844 -24.469 1.00 15.28 C +ATOM 3186 OE1 GLU B 138 30.803 -42.410 -23.771 1.00 16.14 O +ATOM 3187 OE2 GLU B 138 30.254 -41.099 -25.445 1.00 16.26 O +ATOM 3188 N LEU B 139 26.824 -44.264 -20.464 1.00 14.63 N +ATOM 3189 CA LEU B 139 26.639 -45.436 -19.611 1.00 15.62 C +ATOM 3190 C LEU B 139 25.209 -45.599 -19.142 1.00 15.53 C +ATOM 3191 O LEU B 139 24.789 -46.722 -18.855 1.00 18.28 O +ATOM 3192 CB LEU B 139 27.549 -45.368 -18.381 1.00 15.52 C +ATOM 3193 CG LEU B 139 29.025 -45.565 -18.654 1.00 15.11 C +ATOM 3194 CD1 LEU B 139 29.840 -45.245 -17.393 1.00 18.15 C +ATOM 3195 CD2 LEU B 139 29.290 -46.976 -19.161 1.00 18.01 C +ATOM 3196 N THR B 140 24.479 -44.498 -18.951 1.00 15.86 N +ATOM 3197 CA THR B 140 23.199 -44.539 -18.248 1.00 16.91 C +ATOM 3198 C THR B 140 22.025 -43.983 -19.020 1.00 17.31 C +ATOM 3199 O THR B 140 20.877 -44.227 -18.644 1.00 17.73 O +ATOM 3200 CB THR B 140 23.268 -43.728 -16.911 1.00 16.99 C +ATOM 3201 OG1 THR B 140 23.259 -42.322 -17.188 1.00 16.42 O +ATOM 3202 CG2 THR B 140 24.497 -44.096 -16.067 1.00 17.88 C +ATOM 3203 N GLY B 141 22.298 -43.236 -20.074 1.00 16.56 N +ATOM 3204 CA GLY B 141 21.262 -42.521 -20.776 1.00 16.92 C +ATOM 3205 C GLY B 141 20.709 -41.304 -20.069 1.00 16.54 C +ATOM 3206 O GLY B 141 19.790 -40.675 -20.593 1.00 18.41 O +ATOM 3207 N LYS B 142 21.282 -40.921 -18.914 1.00 15.92 N +ATOM 3208 CA LYS B 142 20.793 -39.763 -18.151 1.00 16.67 C +ATOM 3209 C LYS B 142 21.663 -38.553 -18.385 1.00 15.47 C +ATOM 3210 O LYS B 142 22.898 -38.674 -18.444 1.00 15.42 O +ATOM 3211 CB LYS B 142 20.715 -40.099 -16.650 1.00 17.15 C +ATOM 3212 CG LYS B 142 19.967 -41.398 -16.338 1.00 18.46 C +ATOM 3213 CD LYS B 142 18.514 -41.332 -16.792 1.00 19.90 C +ATOM 3214 CE LYS B 142 17.715 -42.508 -16.322 1.00 22.63 C +ATOM 3215 NZ LYS B 142 16.305 -42.306 -16.727 1.00 27.00 N +ATOM 3216 N ARG B 143 21.005 -37.398 -18.439 1.00 16.41 N +ATOM 3217 CA ARG B 143 21.664 -36.121 -18.596 1.00 18.47 C +ATOM 3218 C ARG B 143 21.823 -35.494 -17.224 1.00 16.79 C +ATOM 3219 O ARG B 143 20.853 -35.025 -16.620 1.00 17.95 O +ATOM 3220 CB ARG B 143 20.885 -35.201 -19.545 1.00 19.74 C +ATOM 3221 CG ARG B 143 20.930 -35.726 -20.982 1.00 22.68 C +ATOM 3222 CD ARG B 143 19.986 -35.039 -21.905 1.00 26.01 C +ATOM 3223 NE ARG B 143 19.869 -35.764 -23.162 1.00 30.90 N +ATOM 3224 CZ ARG B 143 20.702 -35.646 -24.189 1.00 31.93 C +ATOM 3225 NH1 ARG B 143 20.478 -36.354 -25.290 1.00 33.30 N +ATOM 3226 NH2 ARG B 143 21.730 -34.810 -24.143 1.00 34.35 N +ATOM 3227 N VAL B 144 23.064 -35.500 -16.779 1.00 15.72 N +ATOM 3228 CA AVAL B 144 23.335 -34.901 -15.477 0.50 15.17 C +ATOM 3229 CA BVAL B 144 23.503 -35.052 -15.434 0.50 16.44 C +ATOM 3230 C VAL B 144 24.301 -33.729 -15.621 1.00 16.13 C +ATOM 3231 O VAL B 144 24.882 -33.509 -16.672 1.00 19.49 O +ATOM 3232 CB AVAL B 144 23.835 -35.964 -14.494 0.50 13.86 C +ATOM 3233 CB BVAL B 144 24.408 -36.189 -14.801 0.50 16.48 C +ATOM 3234 CG1AVAL B 144 22.961 -37.253 -14.551 0.50 12.65 C +ATOM 3235 CG1BVAL B 144 25.738 -36.247 -15.512 0.50 18.20 C +ATOM 3236 CG2AVAL B 144 25.291 -36.291 -14.741 0.50 14.07 C +ATOM 3237 CG2BVAL B 144 24.670 -36.048 -13.284 0.50 16.83 C +ATOM 3238 N GLY B 145 24.320 -32.866 -14.637 1.00 13.26 N +ATOM 3239 CA GLY B 145 25.358 -31.822 -14.553 1.00 12.32 C +ATOM 3240 C GLY B 145 26.479 -32.352 -13.664 1.00 10.64 C +ATOM 3241 O GLY B 145 26.258 -33.209 -12.834 1.00 11.07 O +ATOM 3242 N VAL B 146 27.693 -31.866 -13.895 1.00 11.15 N +ATOM 3243 CA VAL B 146 28.845 -32.233 -13.093 1.00 10.60 C +ATOM 3244 C VAL B 146 29.560 -30.990 -12.600 1.00 10.38 C +ATOM 3245 O VAL B 146 29.845 -30.074 -13.368 1.00 10.90 O +ATOM 3246 CB VAL B 146 29.824 -33.130 -13.907 1.00 10.27 C +ATOM 3247 CG1 VAL B 146 31.056 -33.420 -13.072 1.00 11.59 C +ATOM 3248 CG2 VAL B 146 29.117 -34.442 -14.329 1.00 11.65 C +ATOM 3249 N ILE B 147 29.891 -30.983 -11.299 1.00 9.51 N +ATOM 3250 CA ILE B 147 30.706 -29.931 -10.683 1.00 9.43 C +ATOM 3251 C ILE B 147 31.892 -30.651 -9.998 1.00 8.91 C +ATOM 3252 O ILE B 147 31.695 -31.613 -9.272 1.00 10.26 O +ATOM 3253 CB ILE B 147 29.895 -29.137 -9.622 1.00 9.67 C +ATOM 3254 CG1 ILE B 147 28.687 -28.467 -10.296 1.00 11.16 C +ATOM 3255 CG2 ILE B 147 30.796 -28.164 -8.906 1.00 10.72 C +ATOM 3256 CD1 ILE B 147 27.740 -27.805 -9.313 1.00 11.96 C +ATOM 3257 N ILE B 148 33.089 -30.137 -10.240 1.00 9.67 N +ATOM 3258 CA AILE B 148 34.285 -30.563 -9.544 0.50 9.82 C +ATOM 3259 CA BILE B 148 34.316 -30.548 -9.555 0.50 9.94 C +ATOM 3260 C ILE B 148 34.597 -29.514 -8.476 1.00 10.08 C +ATOM 3261 O ILE B 148 34.604 -28.328 -8.757 1.00 10.68 O +ATOM 3262 CB AILE B 148 35.424 -30.774 -10.540 0.50 10.09 C +ATOM 3263 CB BILE B 148 35.530 -30.608 -10.505 0.50 10.63 C +ATOM 3264 CG1AILE B 148 35.116 -32.010 -11.394 0.50 9.82 C +ATOM 3265 CG1BILE B 148 35.199 -31.387 -11.777 0.50 10.90 C +ATOM 3266 CG2AILE B 148 36.767 -30.890 -9.799 0.50 9.82 C +ATOM 3267 CG2BILE B 148 36.744 -31.213 -9.773 0.50 10.47 C +ATOM 3268 CD1AILE B 148 35.937 -32.110 -12.656 0.50 10.44 C +ATOM 3269 CD1BILE B 148 34.747 -32.781 -11.541 0.50 11.67 C +ATOM 3270 N THR B 149 34.834 -29.973 -7.252 1.00 9.72 N +ATOM 3271 CA ATHR B 149 34.995 -29.068 -6.123 0.50 9.54 C +ATOM 3272 CA BTHR B 149 34.956 -29.085 -6.115 0.50 10.87 C +ATOM 3273 C THR B 149 36.351 -29.116 -5.478 1.00 10.42 C +ATOM 3274 O THR B 149 37.076 -30.108 -5.559 1.00 11.78 O +ATOM 3275 CB ATHR B 149 34.034 -29.381 -4.947 0.50 9.36 C +ATOM 3276 CB BTHR B 149 33.855 -29.449 -5.057 0.50 11.33 C +ATOM 3277 OG1ATHR B 149 34.232 -30.746 -4.517 0.50 6.68 O +ATOM 3278 OG1BTHR B 149 32.570 -29.444 -5.688 0.50 15.83 O +ATOM 3279 CG2ATHR B 149 32.605 -29.128 -5.320 0.50 11.81 C +ATOM 3280 CG2BTHR B 149 33.835 -28.502 -3.858 0.50 13.43 C +ATOM 3281 N ASP B 150 36.737 -28.016 -4.866 1.00 10.42 N +ATOM 3282 CA ASP B 150 37.968 -28.005 -4.060 1.00 11.13 C +ATOM 3283 C ASP B 150 37.737 -27.125 -2.839 1.00 11.44 C +ATOM 3284 O ASP B 150 37.124 -26.070 -2.938 1.00 13.05 O +ATOM 3285 CB ASP B 150 39.181 -27.514 -4.853 1.00 11.25 C +ATOM 3286 CG ASP B 150 40.531 -27.913 -4.231 1.00 12.50 C +ATOM 3287 OD1 ASP B 150 40.594 -28.785 -3.361 1.00 12.31 O +ATOM 3288 OD2 ASP B 150 41.556 -27.345 -4.672 1.00 16.56 O +ATOM 3289 N THR B 151 38.263 -27.574 -1.721 1.00 11.23 N +ATOM 3290 CA THR B 151 38.194 -26.840 -0.467 1.00 11.48 C +ATOM 3291 C THR B 151 39.116 -25.623 -0.489 1.00 12.34 C +ATOM 3292 O THR B 151 40.272 -25.734 -0.897 1.00 12.96 O +ATOM 3293 CB THR B 151 38.624 -27.797 0.660 1.00 12.55 C +ATOM 3294 OG1 THR B 151 37.665 -28.861 0.737 1.00 13.45 O +ATOM 3295 CG2 THR B 151 38.741 -27.087 2.008 1.00 14.73 C +ATOM 3296 N ASN B 152 38.617 -24.494 -0.005 1.00 13.09 N +ATOM 3297 CA ASN B 152 39.413 -23.292 0.112 1.00 14.49 C +ATOM 3298 C ASN B 152 38.906 -22.494 1.290 1.00 12.70 C +ATOM 3299 O ASN B 152 37.739 -22.562 1.657 1.00 13.14 O +ATOM 3300 CB ASN B 152 39.303 -22.425 -1.152 1.00 16.93 C +ATOM 3301 CG ASN B 152 40.057 -22.998 -2.345 1.00 22.96 C +ATOM 3302 OD1 ASN B 152 41.239 -22.688 -2.541 1.00 28.30 O +ATOM 3303 ND2 ASN B 152 39.374 -23.768 -3.181 1.00 26.81 N +ATOM 3304 N GLY B 153 39.767 -21.668 1.834 1.00 13.63 N +ATOM 3305 CA GLY B 153 39.363 -20.623 2.743 1.00 13.42 C +ATOM 3306 C GLY B 153 38.779 -19.449 1.966 1.00 13.35 C +ATOM 3307 O GLY B 153 38.563 -19.504 0.751 1.00 14.84 O +ATOM 3308 N ARG B 154 38.485 -18.384 2.683 1.00 13.81 N +ATOM 3309 CA ARG B 154 37.814 -17.251 2.069 1.00 13.95 C +ATOM 3310 C ARG B 154 38.156 -15.968 2.810 1.00 14.78 C +ATOM 3311 O ARG B 154 38.610 -15.995 3.929 1.00 15.94 O +ATOM 3312 CB ARG B 154 36.290 -17.476 1.982 1.00 14.72 C +ATOM 3313 CG ARG B 154 35.646 -17.746 3.320 1.00 13.49 C +ATOM 3314 CD ARG B 154 35.427 -19.219 3.616 1.00 12.18 C +ATOM 3315 NE ARG B 154 34.895 -19.425 4.952 1.00 12.29 N +ATOM 3316 CZ ARG B 154 33.622 -19.244 5.301 1.00 11.47 C +ATOM 3317 NH1 ARG B 154 33.260 -19.421 6.567 1.00 12.34 N +ATOM 3318 NH2 ARG B 154 32.679 -18.929 4.398 1.00 11.24 N +ATOM 3319 N ACYS B 155 37.941 -14.848 2.151 0.50 15.08 N +ATOM 3320 N BCYS B 155 37.935 -14.840 2.169 0.50 15.47 N +ATOM 3321 CA ACYS B 155 38.127 -13.539 2.764 0.50 15.47 C +ATOM 3322 CA BCYS B 155 38.136 -13.595 2.876 0.50 16.11 C +ATOM 3323 C ACYS B 155 37.145 -13.240 3.902 0.50 15.63 C +ATOM 3324 C BCYS B 155 37.147 -13.362 3.989 0.50 16.13 C +ATOM 3325 O ACYS B 155 35.943 -13.463 3.772 0.50 15.69 O +ATOM 3326 O BCYS B 155 35.994 -13.797 3.965 0.50 16.14 O +ATOM 3327 CB ACYS B 155 37.916 -12.462 1.733 0.50 15.96 C +ATOM 3328 CB BCYS B 155 38.097 -12.380 1.988 0.50 17.05 C +ATOM 3329 SG ACYS B 155 39.011 -12.460 0.330 0.55 19.03 S +ATOM 3330 SG BCYS B 155 36.695 -12.237 0.853 0.45 20.02 S +ATOM 3331 N PHE B 156 37.682 -12.722 5.005 1.00 15.50 N +ATOM 3332 CA PHE B 156 36.942 -12.140 6.120 1.00 15.56 C +ATOM 3333 C PHE B 156 36.328 -13.119 7.096 1.00 15.19 C +ATOM 3334 O PHE B 156 35.900 -12.728 8.201 1.00 17.46 O +ATOM 3335 CB PHE B 156 35.876 -11.153 5.651 1.00 16.13 C +ATOM 3336 CG PHE B 156 36.347 -10.186 4.580 1.00 16.16 C +ATOM 3337 CD1 PHE B 156 37.526 -9.461 4.739 1.00 17.81 C +ATOM 3338 CD2 PHE B 156 35.648 -10.044 3.400 1.00 18.27 C +ATOM 3339 CE1 PHE B 156 37.961 -8.583 3.743 1.00 18.71 C +ATOM 3340 CE2 PHE B 156 36.081 -9.170 2.410 1.00 19.99 C +ATOM 3341 CZ PHE B 156 37.243 -8.445 2.590 1.00 18.83 C +ATOM 3342 N ARG B 157 36.309 -14.390 6.735 1.00 13.32 N +ATOM 3343 CA ARG B 157 35.695 -15.437 7.532 1.00 13.95 C +ATOM 3344 C ARG B 157 36.662 -16.572 7.724 1.00 14.38 C +ATOM 3345 O ARG B 157 37.431 -16.894 6.813 1.00 15.51 O +ATOM 3346 CB ARG B 157 34.410 -15.948 6.872 1.00 13.45 C +ATOM 3347 CG ARG B 157 33.294 -14.930 6.831 1.00 13.91 C +ATOM 3348 CD ARG B 157 32.038 -15.528 6.163 1.00 14.16 C +ATOM 3349 NE ARG B 157 30.903 -14.627 6.330 1.00 15.33 N +ATOM 3350 CZ ARG B 157 29.719 -14.955 6.831 1.00 12.46 C +ATOM 3351 NH1 ARG B 157 29.431 -16.183 7.187 1.00 10.67 N +ATOM 3352 NH2 ARG B 157 28.797 -14.019 6.959 1.00 13.74 N +ATOM 3353 N ARG B 158 36.626 -17.164 8.908 1.00 13.28 N +ATOM 3354 CA ARG B 158 37.410 -18.330 9.222 1.00 13.29 C +ATOM 3355 C ARG B 158 36.805 -19.567 8.582 1.00 13.69 C +ATOM 3356 O ARG B 158 35.610 -19.588 8.177 1.00 14.30 O +ATOM 3357 CB ARG B 158 37.498 -18.532 10.751 1.00 13.32 C +ATOM 3358 CG ARG B 158 38.144 -17.358 11.460 1.00 14.53 C +ATOM 3359 CD ARG B 158 38.460 -17.737 12.886 1.00 15.97 C +ATOM 3360 NE ARG B 158 38.764 -16.589 13.741 1.00 16.10 N +ATOM 3361 CZ ARG B 158 37.989 -16.164 14.731 1.00 17.76 C +ATOM 3362 NH1 ARG B 158 38.362 -15.138 15.448 1.00 20.17 N +ATOM 3363 NH2 ARG B 158 36.820 -16.713 14.981 1.00 21.07 N +ATOM 3364 N GLY B 159 37.613 -20.613 8.518 1.00 13.91 N +ATOM 3365 CA GLY B 159 37.143 -21.916 8.099 1.00 13.98 C +ATOM 3366 C GLY B 159 37.133 -22.083 6.595 1.00 13.18 C +ATOM 3367 O GLY B 159 37.171 -21.131 5.829 1.00 13.98 O +ATOM 3368 N VAL B 160 37.109 -23.322 6.179 1.00 12.18 N +ATOM 3369 CA VAL B 160 37.103 -23.644 4.767 1.00 12.13 C +ATOM 3370 C VAL B 160 35.732 -24.144 4.335 1.00 11.85 C +ATOM 3371 O VAL B 160 34.930 -24.626 5.158 1.00 12.20 O +ATOM 3372 CB VAL B 160 38.199 -24.709 4.404 1.00 12.82 C +ATOM 3373 CG1 VAL B 160 39.589 -24.197 4.776 1.00 14.70 C +ATOM 3374 CG2 VAL B 160 37.896 -26.043 5.040 1.00 14.01 C +ATOM 3375 N VAL B 161 35.464 -23.989 3.042 1.00 10.99 N +ATOM 3376 CA VAL B 161 34.243 -24.498 2.440 1.00 10.89 C +ATOM 3377 C VAL B 161 34.589 -25.049 1.059 1.00 11.20 C +ATOM 3378 O VAL B 161 35.646 -24.786 0.508 1.00 11.43 O +ATOM 3379 CB VAL B 161 33.153 -23.421 2.299 1.00 11.26 C +ATOM 3380 CG1 VAL B 161 32.740 -22.869 3.654 1.00 12.42 C +ATOM 3381 CG2 VAL B 161 33.562 -22.339 1.313 1.00 13.50 C +ATOM 3382 N GLY B 162 33.694 -25.817 0.498 1.00 10.42 N +ATOM 3383 CA GLY B 162 33.871 -26.244 -0.885 1.00 11.07 C +ATOM 3384 C GLY B 162 33.463 -25.185 -1.887 1.00 10.89 C +ATOM 3385 O GLY B 162 32.449 -24.503 -1.697 1.00 11.58 O +ATOM 3386 N PHE B 163 34.245 -25.088 -2.968 1.00 10.48 N +ATOM 3387 CA PHE B 163 33.987 -24.216 -4.110 1.00 10.19 C +ATOM 3388 C PHE B 163 34.023 -25.047 -5.393 1.00 9.85 C +ATOM 3389 O PHE B 163 34.751 -26.023 -5.485 1.00 10.72 O +ATOM 3390 CB PHE B 163 35.069 -23.130 -4.250 1.00 11.18 C +ATOM 3391 CG PHE B 163 35.032 -22.065 -3.200 1.00 11.18 C +ATOM 3392 CD1 PHE B 163 34.263 -20.924 -3.377 1.00 12.43 C +ATOM 3393 CD2 PHE B 163 35.779 -22.202 -2.029 1.00 11.80 C +ATOM 3394 CE1 PHE B 163 34.248 -19.926 -2.389 1.00 13.87 C +ATOM 3395 CE2 PHE B 163 35.790 -21.230 -1.053 1.00 13.73 C +ATOM 3396 CZ PHE B 163 35.033 -20.098 -1.241 1.00 13.94 C +ATOM 3397 N ALA B 164 33.268 -24.639 -6.403 1.00 9.80 N +ATOM 3398 CA ALA B 164 33.404 -25.214 -7.734 1.00 10.14 C +ATOM 3399 C ALA B 164 34.707 -24.773 -8.348 1.00 10.04 C +ATOM 3400 O ALA B 164 35.029 -23.588 -8.311 1.00 11.27 O +ATOM 3401 CB ALA B 164 32.229 -24.765 -8.642 1.00 11.03 C +ATOM 3402 N ILE B 165 35.457 -25.697 -8.951 1.00 10.61 N +ATOM 3403 CA ILE B 165 36.602 -25.354 -9.790 1.00 11.31 C +ATOM 3404 C ILE B 165 36.451 -25.924 -11.199 1.00 10.92 C +ATOM 3405 O ILE B 165 37.265 -25.623 -12.039 1.00 12.13 O +ATOM 3406 CB ILE B 165 37.960 -25.773 -9.183 1.00 12.24 C +ATOM 3407 CG1 ILE B 165 38.109 -27.291 -9.060 1.00 13.00 C +ATOM 3408 CG2 ILE B 165 38.181 -24.999 -7.827 1.00 14.70 C +ATOM 3409 CD1 ILE B 165 39.569 -27.776 -8.983 1.00 15.16 C +ATOM 3410 N GLY B 166 35.425 -26.755 -11.462 1.00 10.38 N +ATOM 3411 CA GLY B 166 35.109 -27.183 -12.840 1.00 11.11 C +ATOM 3412 C GLY B 166 33.633 -27.454 -12.920 1.00 10.99 C +ATOM 3413 O GLY B 166 33.036 -27.923 -11.946 1.00 10.69 O +ATOM 3414 N ILE B 167 33.036 -27.154 -14.075 1.00 10.79 N +ATOM 3415 CA AILE B 167 31.617 -27.391 -14.262 0.50 10.72 C +ATOM 3416 CA BILE B 167 31.607 -27.295 -14.277 0.50 12.03 C +ATOM 3417 C ILE B 167 31.311 -27.785 -15.699 1.00 11.98 C +ATOM 3418 O ILE B 167 31.975 -27.360 -16.625 1.00 13.62 O +ATOM 3419 CB AILE B 167 30.736 -26.172 -13.856 0.50 10.45 C +ATOM 3420 CB BILE B 167 30.938 -25.926 -14.126 0.50 12.58 C +ATOM 3421 CG1AILE B 167 31.073 -24.925 -14.692 0.50 9.77 C +ATOM 3422 CG1BILE B 167 31.107 -25.373 -12.709 0.50 14.65 C +ATOM 3423 CG2AILE B 167 30.807 -25.955 -12.348 0.50 8.91 C +ATOM 3424 CG2BILE B 167 29.466 -26.016 -14.505 0.50 15.21 C +ATOM 3425 CD1AILE B 167 30.198 -23.699 -14.427 0.50 10.98 C +ATOM 3426 CD1BILE B 167 29.944 -25.613 -11.832 0.50 18.42 C +ATOM 3427 N SER B 168 30.312 -28.649 -15.846 1.00 11.46 N +ATOM 3428 CA SER B 168 29.788 -28.993 -17.176 1.00 12.69 C +ATOM 3429 C SER B 168 28.321 -29.365 -17.052 1.00 12.68 C +ATOM 3430 O SER B 168 27.940 -30.198 -16.226 1.00 12.78 O +ATOM 3431 CB SER B 168 30.512 -30.179 -17.778 1.00 13.17 C +ATOM 3432 OG SER B 168 30.025 -30.450 -19.102 1.00 15.04 O +ATOM 3433 N GLY B 169 27.491 -28.751 -17.881 1.00 13.82 N +ATOM 3434 CA GLY B 169 26.081 -29.089 -17.905 1.00 13.15 C +ATOM 3435 C GLY B 169 25.227 -28.484 -16.813 1.00 14.61 C +ATOM 3436 O GLY B 169 24.038 -28.796 -16.708 1.00 15.27 O +ATOM 3437 N VAL B 170 25.830 -27.573 -16.039 1.00 15.16 N +ATOM 3438 CA AVAL B 170 25.175 -26.788 -15.011 0.50 15.46 C +ATOM 3439 CA BVAL B 170 25.101 -26.785 -15.070 0.50 15.67 C +ATOM 3440 C VAL B 170 25.384 -25.318 -15.327 1.00 15.61 C +ATOM 3441 O VAL B 170 26.485 -24.931 -15.767 1.00 16.62 O +ATOM 3442 CB AVAL B 170 25.803 -27.050 -13.614 0.50 16.06 C +ATOM 3443 CB BVAL B 170 25.461 -27.139 -13.608 0.50 15.96 C +ATOM 3444 CG1AVAL B 170 24.993 -26.362 -12.513 0.50 16.14 C +ATOM 3445 CG1BVAL B 170 25.115 -28.578 -13.284 0.50 16.48 C +ATOM 3446 CG2AVAL B 170 25.917 -28.518 -13.347 0.50 16.04 C +ATOM 3447 CG2BVAL B 170 26.927 -26.878 -13.370 0.50 17.45 C +ATOM 3448 N LYS B 171 24.368 -24.494 -15.060 1.00 17.46 N +ATOM 3449 CA LYS B 171 24.564 -23.056 -14.940 1.00 20.11 C +ATOM 3450 C LYS B 171 25.627 -22.769 -13.917 1.00 18.53 C +ATOM 3451 O LYS B 171 25.675 -23.362 -12.809 1.00 20.16 O +ATOM 3452 CB LYS B 171 23.292 -22.368 -14.402 1.00 21.31 C +ATOM 3453 CG LYS B 171 22.178 -22.303 -15.403 1.00 24.66 C +ATOM 3454 CD LYS B 171 21.088 -21.321 -14.998 1.00 26.17 C +ATOM 3455 CE LYS B 171 20.481 -21.691 -13.653 1.00 30.02 C +ATOM 3456 NZ LYS B 171 19.054 -21.275 -13.589 1.00 31.68 N +ATOM 3457 N ALA B 172 26.496 -21.849 -14.270 1.00 16.28 N +ATOM 3458 CA ALA B 172 27.366 -21.263 -13.278 1.00 16.06 C +ATOM 3459 C ALA B 172 26.502 -20.331 -12.422 1.00 14.68 C +ATOM 3460 O ALA B 172 26.558 -20.361 -11.188 1.00 15.15 O +ATOM 3461 CB ALA B 172 28.442 -20.495 -13.952 1.00 16.64 C +ATOM 3462 N MET B 173 25.670 -19.534 -13.107 1.00 14.38 N +ATOM 3463 CA MET B 173 24.925 -18.456 -12.495 1.00 14.21 C +ATOM 3464 C MET B 173 23.450 -18.598 -12.806 1.00 14.45 C +ATOM 3465 O MET B 173 23.088 -18.989 -13.910 1.00 16.29 O +ATOM 3466 CB MET B 173 25.357 -17.097 -13.047 1.00 15.12 C +ATOM 3467 CG MET B 173 26.801 -16.780 -12.909 1.00 15.07 C +ATOM 3468 SD MET B 173 27.307 -16.684 -11.186 1.00 15.05 S +ATOM 3469 CE MET B 173 28.932 -15.997 -11.450 1.00 16.50 C +ATOM 3470 N LYS B 174 22.618 -18.251 -11.837 1.00 14.17 N +ATOM 3471 CA LYS B 174 21.191 -18.002 -12.093 1.00 14.50 C +ATOM 3472 C LYS B 174 21.078 -16.513 -12.301 1.00 15.71 C +ATOM 3473 O LYS B 174 21.539 -15.724 -11.492 1.00 14.72 O +ATOM 3474 CB LYS B 174 20.315 -18.450 -10.920 1.00 15.28 C +ATOM 3475 CG LYS B 174 18.836 -18.394 -11.145 1.00 16.69 C +ATOM 3476 CD LYS B 174 18.192 -19.185 -10.035 1.00 19.35 C +ATOM 3477 CE LYS B 174 16.726 -19.112 -10.032 1.00 21.32 C +ATOM 3478 NZ LYS B 174 16.225 -19.929 -8.870 1.00 21.01 N +ATOM 3479 N ASP B 175 20.475 -16.137 -13.428 1.00 17.62 N +ATOM 3480 CA AASP B 175 20.333 -14.721 -13.774 0.50 18.73 C +ATOM 3481 CA BASP B 175 20.310 -14.746 -13.823 0.50 18.65 C +ATOM 3482 C ASP B 175 19.061 -14.136 -13.186 1.00 18.54 C +ATOM 3483 O ASP B 175 17.978 -14.631 -13.409 1.00 20.92 O +ATOM 3484 CB AASP B 175 20.352 -14.496 -15.293 0.50 20.00 C +ATOM 3485 CB BASP B 175 20.171 -14.675 -15.354 0.50 19.57 C +ATOM 3486 CG AASP B 175 21.758 -14.380 -15.836 0.50 21.89 C +ATOM 3487 CG BASP B 175 20.686 -13.372 -15.926 0.50 22.14 C +ATOM 3488 OD1AASP B 175 22.515 -15.351 -15.677 0.50 25.78 O +ATOM 3489 OD1BASP B 175 20.727 -12.363 -15.194 0.50 23.36 O +ATOM 3490 OD2AASP B 175 22.115 -13.324 -16.410 0.50 26.05 O +ATOM 3491 OD2BASP B 175 21.054 -13.360 -17.123 0.50 25.28 O +ATOM 3492 N TRP B 176 19.232 -13.075 -12.409 1.00 17.16 N +ATOM 3493 CA TRP B 176 18.136 -12.362 -11.765 1.00 16.88 C +ATOM 3494 C TRP B 176 17.852 -11.027 -12.449 1.00 18.62 C +ATOM 3495 O TRP B 176 16.931 -10.345 -12.047 1.00 19.14 O +ATOM 3496 CB TRP B 176 18.423 -12.179 -10.273 1.00 16.43 C +ATOM 3497 CG TRP B 176 18.351 -13.511 -9.540 1.00 15.32 C +ATOM 3498 CD1 TRP B 176 19.396 -14.322 -9.194 1.00 14.16 C +ATOM 3499 CD2 TRP B 176 17.168 -14.186 -9.109 1.00 13.87 C +ATOM 3500 NE1 TRP B 176 18.936 -15.449 -8.572 1.00 13.42 N +ATOM 3501 CE2 TRP B 176 17.575 -15.397 -8.501 1.00 13.66 C +ATOM 3502 CE3 TRP B 176 15.797 -13.879 -9.149 1.00 14.53 C +ATOM 3503 CZ2 TRP B 176 16.678 -16.301 -7.971 1.00 13.95 C +ATOM 3504 CZ3 TRP B 176 14.909 -14.781 -8.630 1.00 14.32 C +ATOM 3505 CH2 TRP B 176 15.338 -15.979 -8.050 1.00 14.58 C +ATOM 3506 N ILE B 177 18.617 -10.693 -13.488 1.00 21.18 N +ATOM 3507 CA ILE B 177 18.337 -9.486 -14.286 1.00 22.94 C +ATOM 3508 C ILE B 177 16.986 -9.636 -14.929 1.00 23.84 C +ATOM 3509 O ILE B 177 16.644 -10.692 -15.459 1.00 24.70 O +ATOM 3510 CB ILE B 177 19.379 -9.235 -15.393 1.00 22.28 C +ATOM 3511 CG1 ILE B 177 20.751 -9.006 -14.785 1.00 23.87 C +ATOM 3512 CG2 ILE B 177 18.985 -8.004 -16.243 1.00 23.13 C +ATOM 3513 CD1 ILE B 177 21.845 -8.652 -15.800 1.00 24.91 C +ATOM 3514 N GLY B 178 16.173 -8.592 -14.810 1.00 26.06 N +ATOM 3515 CA GLY B 178 14.842 -8.624 -15.373 1.00 28.17 C +ATOM 3516 C GLY B 178 13.769 -9.060 -14.394 1.00 28.85 C +ATOM 3517 O GLY B 178 12.663 -8.523 -14.432 1.00 30.41 O +ATOM 3518 N ARG B 179 14.072 -10.067 -13.553 1.00 28.35 N +ATOM 3519 CA ARG B 179 13.122 -10.601 -12.572 1.00 27.91 C +ATOM 3520 C ARG B 179 12.855 -9.541 -11.509 1.00 26.08 C +ATOM 3521 O ARG B 179 13.674 -8.643 -11.306 1.00 26.97 O +ATOM 3522 CB ARG B 179 13.631 -11.929 -11.987 1.00 28.20 C +ATOM 3523 CG ARG B 179 13.620 -13.043 -13.042 1.00 29.19 C +ATOM 3524 CD ARG B 179 13.738 -14.426 -12.471 1.00 29.66 C +ATOM 3525 NE ARG B 179 12.601 -14.786 -11.632 1.00 29.02 N +ATOM 3526 CZ ARG B 179 12.506 -15.937 -10.972 1.00 29.77 C +ATOM 3527 NH1 ARG B 179 13.470 -16.851 -11.078 1.00 29.96 N +ATOM 3528 NH2 ARG B 179 11.455 -16.171 -10.206 1.00 29.51 N +ATOM 3529 N LYS B 180 11.685 -9.617 -10.875 1.00 24.16 N +ATOM 3530 CA ALYS B 180 11.214 -8.583 -9.956 0.50 23.46 C +ATOM 3531 CA BLYS B 180 11.245 -8.574 -9.947 0.50 23.36 C +ATOM 3532 C LYS B 180 11.130 -9.074 -8.514 1.00 22.44 C +ATOM 3533 O LYS B 180 10.953 -10.266 -8.271 1.00 22.32 O +ATOM 3534 CB ALYS B 180 9.824 -8.112 -10.378 0.50 23.58 C +ATOM 3535 CB BLYS B 180 9.888 -8.010 -10.362 0.50 23.39 C +ATOM 3536 CG ALYS B 180 9.710 -7.704 -11.846 0.50 24.31 C +ATOM 3537 CG BLYS B 180 9.832 -7.451 -11.778 0.50 23.83 C +ATOM 3538 CD ALYS B 180 10.654 -6.574 -12.176 0.50 24.48 C +ATOM 3539 CD BLYS B 180 10.790 -6.301 -11.991 0.50 24.08 C +ATOM 3540 CE ALYS B 180 10.401 -6.017 -13.564 0.50 24.65 C +ATOM 3541 CE BLYS B 180 10.576 -5.675 -13.361 0.50 24.26 C +ATOM 3542 NZ ALYS B 180 11.450 -5.029 -13.926 0.50 26.96 N +ATOM 3543 NZ BLYS B 180 10.760 -6.686 -14.438 0.50 26.01 N +ATOM 3544 N ASP B 181 11.217 -8.134 -7.582 1.00 20.28 N +ATOM 3545 CA ASP B 181 11.083 -8.453 -6.154 1.00 19.19 C +ATOM 3546 C ASP B 181 9.613 -8.611 -5.786 1.00 18.80 C +ATOM 3547 O ASP B 181 8.724 -8.552 -6.663 1.00 20.12 O +ATOM 3548 CB ASP B 181 11.868 -7.459 -5.294 1.00 19.72 C +ATOM 3549 CG ASP B 181 11.183 -6.152 -5.084 1.00 20.73 C +ATOM 3550 OD1 ASP B 181 10.054 -5.944 -5.558 1.00 21.52 O +ATOM 3551 OD2 ASP B 181 11.821 -5.317 -4.423 1.00 20.73 O +ATOM 3552 N LEU B 182 9.334 -8.812 -4.504 1.00 18.79 N +ATOM 3553 CA LEU B 182 7.969 -9.016 -4.023 1.00 19.41 C +ATOM 3554 C LEU B 182 7.042 -7.815 -4.219 1.00 21.05 C +ATOM 3555 O LEU B 182 5.824 -7.973 -4.069 1.00 22.61 O +ATOM 3556 CB LEU B 182 7.984 -9.374 -2.527 1.00 18.72 C +ATOM 3557 CG LEU B 182 8.643 -10.695 -2.148 1.00 18.33 C +ATOM 3558 CD1 LEU B 182 9.003 -10.700 -0.634 1.00 19.34 C +ATOM 3559 CD2 LEU B 182 7.732 -11.807 -2.518 1.00 19.15 C +ATOM 3560 N TYR B 183 7.623 -6.643 -4.489 1.00 21.34 N +ATOM 3561 CA TYR B 183 6.862 -5.413 -4.746 1.00 22.84 C +ATOM 3562 C TYR B 183 6.911 -5.014 -6.223 1.00 23.78 C +ATOM 3563 O TYR B 183 6.504 -3.909 -6.574 1.00 25.37 O +ATOM 3564 CB TYR B 183 7.383 -4.312 -3.823 1.00 23.26 C +ATOM 3565 CG TYR B 183 7.109 -4.668 -2.373 1.00 23.76 C +ATOM 3566 CD1 TYR B 183 8.033 -5.378 -1.620 1.00 23.39 C +ATOM 3567 CD2 TYR B 183 5.887 -4.386 -1.790 1.00 25.09 C +ATOM 3568 CE1 TYR B 183 7.758 -5.753 -0.317 1.00 23.69 C +ATOM 3569 CE2 TYR B 183 5.611 -4.740 -0.503 1.00 24.40 C +ATOM 3570 CZ TYR B 183 6.554 -5.433 0.244 1.00 24.57 C +ATOM 3571 OH TYR B 183 6.245 -5.778 1.539 1.00 24.93 O +ATOM 3572 N GLY B 184 7.331 -5.914 -7.095 1.00 23.94 N +ATOM 3573 CA GLY B 184 7.435 -5.630 -8.537 1.00 23.80 C +ATOM 3574 C GLY B 184 8.601 -4.769 -9.003 1.00 24.43 C +ATOM 3575 O GLY B 184 8.616 -4.285 -10.157 1.00 25.59 O +ATOM 3576 N ARG B 185 9.574 -4.586 -8.139 1.00 23.98 N +ATOM 3577 CA ARG B 185 10.714 -3.731 -8.419 1.00 24.61 C +ATOM 3578 C ARG B 185 11.882 -4.541 -8.962 1.00 24.05 C +ATOM 3579 O ARG B 185 12.044 -5.703 -8.610 1.00 24.24 O +ATOM 3580 CB ARG B 185 11.163 -3.035 -7.137 1.00 24.34 C +ATOM 3581 CG ARG B 185 10.059 -2.279 -6.358 1.00 26.53 C +ATOM 3582 CD ARG B 185 10.582 -1.741 -5.007 1.00 27.15 C +ATOM 3583 NE ARG B 185 11.936 -1.225 -5.175 1.00 28.89 N +ATOM 3584 CZ ARG B 185 12.873 -1.145 -4.233 1.00 29.37 C +ATOM 3585 NH1 ARG B 185 12.620 -1.488 -2.972 1.00 31.55 N +ATOM 3586 NH2 ARG B 185 14.081 -0.691 -4.564 1.00 31.62 N +ATOM 3587 N GLU B 186 12.730 -3.925 -9.788 1.00 24.53 N +ATOM 3588 CA AGLU B 186 13.952 -4.568 -10.256 0.50 24.38 C +ATOM 3589 CA BGLU B 186 13.938 -4.575 -10.265 0.50 24.58 C +ATOM 3590 C GLU B 186 14.903 -4.816 -9.095 1.00 23.90 C +ATOM 3591 O GLU B 186 14.944 -4.046 -8.129 1.00 23.30 O +ATOM 3592 CB AGLU B 186 14.636 -3.728 -11.340 0.50 24.85 C +ATOM 3593 CB BGLU B 186 14.571 -3.753 -11.399 0.50 24.82 C +ATOM 3594 CG AGLU B 186 13.807 -3.637 -12.607 0.50 26.62 C +ATOM 3595 CG BGLU B 186 13.732 -3.794 -12.690 0.50 26.12 C +ATOM 3596 CD AGLU B 186 14.626 -3.424 -13.856 0.50 27.33 C +ATOM 3597 CD BGLU B 186 13.846 -2.529 -13.521 0.50 26.11 C +ATOM 3598 OE1AGLU B 186 15.755 -3.954 -13.959 0.50 30.92 O +ATOM 3599 OE1BGLU B 186 14.992 -2.168 -13.863 0.50 29.54 O +ATOM 3600 OE2AGLU B 186 14.119 -2.746 -14.760 0.50 28.72 O +ATOM 3601 OE2BGLU B 186 12.793 -1.902 -13.830 0.50 26.30 O +ATOM 3602 N LEU B 187 15.681 -5.884 -9.197 1.00 23.10 N +ATOM 3603 CA LEU B 187 16.569 -6.320 -8.125 1.00 22.67 C +ATOM 3604 C LEU B 187 17.959 -5.712 -8.229 1.00 23.30 C +ATOM 3605 O LEU B 187 18.414 -5.330 -9.313 1.00 24.85 O +ATOM 3606 CB LEU B 187 16.703 -7.845 -8.195 1.00 21.64 C +ATOM 3607 CG LEU B 187 15.413 -8.619 -7.912 1.00 20.40 C +ATOM 3608 CD1 LEU B 187 15.461 -10.054 -8.416 1.00 21.21 C +ATOM 3609 CD2 LEU B 187 15.100 -8.531 -6.412 1.00 20.63 C +ATOM 3610 N GLU B 188 18.657 -5.657 -7.104 1.00 23.09 N +ATOM 3611 CA GLU B 188 20.065 -5.279 -7.087 1.00 23.59 C +ATOM 3612 C GLU B 188 20.906 -6.441 -7.622 1.00 22.89 C +ATOM 3613 O GLU B 188 21.817 -6.246 -8.418 1.00 24.33 O +ATOM 3614 CB GLU B 188 20.498 -4.877 -5.676 1.00 24.46 C +ATOM 3615 CG GLU B 188 21.994 -4.530 -5.527 1.00 25.12 C +ATOM 3616 CD GLU B 188 22.320 -3.768 -4.254 0.20 24.71 C +ATOM 3617 OE1 GLU B 188 21.554 -2.850 -3.884 0.20 25.84 O +ATOM 3618 OE2 GLU B 188 23.362 -4.074 -3.634 0.20 25.09 O +ATOM 3619 N VAL B 189 20.600 -7.657 -7.175 1.00 21.87 N +ATOM 3620 CA VAL B 189 21.313 -8.855 -7.599 1.00 20.90 C +ATOM 3621 C VAL B 189 21.171 -9.057 -9.107 1.00 20.54 C +ATOM 3622 O VAL B 189 20.055 -9.007 -9.632 1.00 20.05 O +ATOM 3623 CB VAL B 189 20.814 -10.096 -6.822 1.00 20.83 C +ATOM 3624 CG1 VAL B 189 21.380 -11.361 -7.417 1.00 20.07 C +ATOM 3625 CG2 VAL B 189 21.178 -9.975 -5.318 1.00 20.56 C +ATOM 3626 N THR B 190 22.289 -9.294 -9.796 1.00 20.32 N +ATOM 3627 CA THR B 190 22.242 -9.691 -11.212 1.00 19.94 C +ATOM 3628 C THR B 190 22.443 -11.194 -11.409 1.00 18.68 C +ATOM 3629 O THR B 190 21.718 -11.816 -12.204 1.00 19.47 O +ATOM 3630 CB THR B 190 23.254 -8.916 -12.065 1.00 19.98 C +ATOM 3631 OG1 THR B 190 24.562 -9.115 -11.561 1.00 22.52 O +ATOM 3632 CG2 THR B 190 22.961 -7.414 -12.012 1.00 22.08 C +ATOM 3633 N VAL B 191 23.400 -11.778 -10.677 1.00 17.24 N +ATOM 3634 CA VAL B 191 23.710 -13.201 -10.789 1.00 15.94 C +ATOM 3635 C VAL B 191 24.001 -13.834 -9.421 1.00 14.19 C +ATOM 3636 O VAL B 191 24.736 -13.327 -8.586 1.00 14.05 O +ATOM 3637 CB VAL B 191 24.917 -13.510 -11.764 1.00 16.15 C +ATOM 3638 CG1 VAL B 191 24.495 -13.351 -13.254 1.00 18.50 C +ATOM 3639 CG2 VAL B 191 26.136 -12.698 -11.426 1.00 19.04 C +ATOM 3640 N GLU B 192 23.412 -15.004 -9.254 1.00 12.37 N +ATOM 3641 CA GLU B 192 23.617 -15.872 -8.091 1.00 11.08 C +ATOM 3642 C GLU B 192 24.486 -17.032 -8.538 1.00 11.49 C +ATOM 3643 O GLU B 192 24.165 -17.681 -9.519 1.00 11.89 O +ATOM 3644 CB GLU B 192 22.266 -16.376 -7.622 1.00 11.67 C +ATOM 3645 CG GLU B 192 22.326 -17.409 -6.515 1.00 11.35 C +ATOM 3646 CD GLU B 192 20.988 -18.068 -6.213 1.00 12.02 C +ATOM 3647 OE1 GLU B 192 19.961 -17.626 -6.797 1.00 12.66 O +ATOM 3648 OE2 GLU B 192 20.943 -19.022 -5.396 1.00 11.74 O +ATOM 3649 N CYS B 193 25.557 -17.327 -7.804 1.00 11.31 N +ATOM 3650 CA CYS B 193 26.424 -18.438 -8.194 1.00 11.38 C +ATOM 3651 C CYS B 193 25.930 -19.761 -7.668 1.00 10.45 C +ATOM 3652 O CYS B 193 26.412 -20.287 -6.641 1.00 11.30 O +ATOM 3653 CB CYS B 193 27.872 -18.186 -7.807 1.00 11.40 C +ATOM 3654 SG CYS B 193 28.984 -19.372 -8.615 1.00 12.31 S +ATOM 3655 N VAL B 194 24.988 -20.332 -8.405 1.00 10.91 N +ATOM 3656 CA VAL B 194 24.419 -21.597 -8.003 1.00 11.82 C +ATOM 3657 C VAL B 194 25.475 -22.716 -7.989 1.00 10.83 C +ATOM 3658 O VAL B 194 25.386 -23.619 -7.172 1.00 10.75 O +ATOM 3659 CB VAL B 194 23.197 -21.948 -8.845 1.00 13.41 C +ATOM 3660 CG1 VAL B 194 22.130 -20.860 -8.751 1.00 16.83 C +ATOM 3661 CG2 VAL B 194 23.560 -22.211 -10.252 1.00 15.58 C +ATOM 3662 N ALA B 195 26.470 -22.663 -8.869 1.00 10.35 N +ATOM 3663 CA ALA B 195 27.480 -23.728 -8.880 1.00 10.18 C +ATOM 3664 C ALA B 195 28.223 -23.778 -7.525 1.00 9.68 C +ATOM 3665 O ALA B 195 28.499 -24.861 -7.000 1.00 10.35 O +ATOM 3666 CB ALA B 195 28.433 -23.567 -10.030 1.00 12.09 C +ATOM 3667 N ASP B 196 28.574 -22.618 -6.976 1.00 9.67 N +ATOM 3668 CA ASP B 196 29.271 -22.586 -5.687 1.00 9.63 C +ATOM 3669 C ASP B 196 28.366 -22.940 -4.541 1.00 9.29 C +ATOM 3670 O ASP B 196 28.823 -23.479 -3.536 1.00 9.74 O +ATOM 3671 CB ASP B 196 29.961 -21.240 -5.452 1.00 10.23 C +ATOM 3672 CG ASP B 196 31.304 -21.129 -6.175 1.00 9.57 C +ATOM 3673 OD1 ASP B 196 31.822 -22.171 -6.615 1.00 11.39 O +ATOM 3674 OD2 ASP B 196 31.828 -20.003 -6.278 1.00 11.29 O +ATOM 3675 N GLU B 197 27.070 -22.660 -4.661 1.00 9.06 N +ATOM 3676 CA GLU B 197 26.137 -23.035 -3.599 1.00 9.34 C +ATOM 3677 C GLU B 197 25.989 -24.559 -3.517 1.00 9.17 C +ATOM 3678 O GLU B 197 25.916 -25.146 -2.431 1.00 10.04 O +ATOM 3679 CB GLU B 197 24.776 -22.298 -3.782 1.00 9.47 C +ATOM 3680 CG GLU B 197 24.930 -20.825 -3.573 1.00 9.37 C +ATOM 3681 CD GLU B 197 23.684 -20.022 -3.813 1.00 10.29 C +ATOM 3682 OE1 GLU B 197 22.939 -20.344 -4.778 1.00 11.36 O +ATOM 3683 OE2 GLU B 197 23.462 -19.057 -3.055 1.00 10.69 O +ATOM 3684 N ILE B 198 25.932 -25.191 -4.682 1.00 9.16 N +ATOM 3685 CA ILE B 198 25.861 -26.644 -4.747 1.00 9.59 C +ATOM 3686 C ILE B 198 27.163 -27.260 -4.241 1.00 9.11 C +ATOM 3687 O ILE B 198 27.168 -28.215 -3.441 1.00 9.85 O +ATOM 3688 CB ILE B 198 25.530 -27.120 -6.186 1.00 9.80 C +ATOM 3689 CG1 ILE B 198 24.127 -26.655 -6.622 1.00 10.43 C +ATOM 3690 CG2 ILE B 198 25.593 -28.647 -6.233 1.00 11.29 C +ATOM 3691 CD1 ILE B 198 23.915 -26.759 -8.124 1.00 11.91 C +ATOM 3692 N ALA B 199 28.282 -26.732 -4.722 1.00 9.41 N +ATOM 3693 CA ALA B 199 29.608 -27.212 -4.331 1.00 9.27 C +ATOM 3694 C ALA B 199 29.782 -27.195 -2.800 1.00 9.66 C +ATOM 3695 O ALA B 199 30.304 -28.158 -2.210 1.00 10.03 O +ATOM 3696 CB ALA B 199 30.704 -26.389 -4.978 1.00 10.40 C +ATOM 3697 N ALA B 200 29.349 -26.109 -2.154 1.00 9.66 N +ATOM 3698 CA ALA B 200 29.533 -25.953 -0.722 1.00 9.32 C +ATOM 3699 C ALA B 200 28.808 -27.058 0.030 1.00 9.38 C +ATOM 3700 O ALA B 200 29.352 -27.653 0.968 1.00 9.96 O +ATOM 3701 CB ALA B 200 29.064 -24.582 -0.274 1.00 9.99 C +ATOM 3702 N PHE B 201 27.551 -27.308 -0.328 1.00 9.79 N +ATOM 3703 CA PHE B 201 26.742 -28.296 0.346 1.00 10.19 C +ATOM 3704 C PHE B 201 27.266 -29.707 0.109 1.00 10.28 C +ATOM 3705 O PHE B 201 27.345 -30.525 1.025 1.00 10.55 O +ATOM 3706 CB PHE B 201 25.274 -28.182 -0.074 1.00 11.18 C +ATOM 3707 CG PHE B 201 24.325 -28.809 0.888 1.00 11.29 C +ATOM 3708 CD1 PHE B 201 24.104 -28.237 2.111 1.00 11.80 C +ATOM 3709 CD2 PHE B 201 23.710 -29.996 0.608 1.00 12.65 C +ATOM 3710 CE1 PHE B 201 23.201 -28.811 3.003 1.00 12.62 C +ATOM 3711 CE2 PHE B 201 22.844 -30.577 1.507 1.00 13.81 C +ATOM 3712 CZ PHE B 201 22.608 -29.992 2.724 1.00 13.74 C +ATOM 3713 N ALA B 202 27.604 -30.015 -1.138 1.00 10.66 N +ATOM 3714 CA ALA B 202 28.177 -31.322 -1.395 1.00 10.80 C +ATOM 3715 C ALA B 202 29.440 -31.544 -0.564 1.00 10.62 C +ATOM 3716 O ALA B 202 29.679 -32.653 -0.072 1.00 11.46 O +ATOM 3717 CB ALA B 202 28.476 -31.477 -2.888 1.00 12.22 C +ATOM 3718 N ASN B 203 30.256 -30.508 -0.418 1.00 11.07 N +ATOM 3719 CA ASN B 203 31.488 -30.611 0.351 1.00 11.22 C +ATOM 3720 C ASN B 203 31.215 -31.046 1.783 1.00 11.40 C +ATOM 3721 O ASN B 203 31.961 -31.829 2.362 1.00 11.70 O +ATOM 3722 CB ASN B 203 32.261 -29.291 0.356 1.00 11.55 C +ATOM 3723 CG ASN B 203 33.635 -29.462 0.895 1.00 11.15 C +ATOM 3724 OD1 ASN B 203 34.455 -30.127 0.258 1.00 13.37 O +ATOM 3725 ND2 ASN B 203 33.882 -28.955 2.101 1.00 12.34 N +ATOM 3726 N LEU B 204 30.146 -30.517 2.347 1.00 12.02 N +ATOM 3727 CA LEU B 204 29.759 -30.888 3.692 1.00 12.89 C +ATOM 3728 C LEU B 204 29.580 -32.418 3.823 1.00 12.25 C +ATOM 3729 O LEU B 204 30.012 -33.019 4.801 1.00 13.41 O +ATOM 3730 CB LEU B 204 28.478 -30.107 4.056 1.00 13.04 C +ATOM 3731 CG LEU B 204 27.840 -30.379 5.409 1.00 16.54 C +ATOM 3732 CD1 LEU B 204 28.773 -30.093 6.541 1.00 20.17 C +ATOM 3733 CD2 LEU B 204 26.575 -29.541 5.571 1.00 17.39 C +ATOM 3734 N LEU B 205 28.988 -33.046 2.814 1.00 11.85 N +ATOM 3735 CA LEU B 205 28.787 -34.499 2.856 1.00 12.82 C +ATOM 3736 C LEU B 205 30.076 -35.291 2.548 1.00 12.94 C +ATOM 3737 O LEU B 205 30.263 -36.422 3.020 1.00 14.55 O +ATOM 3738 CB LEU B 205 27.680 -34.972 1.903 1.00 14.19 C +ATOM 3739 CG LEU B 205 26.242 -34.813 2.376 1.00 15.60 C +ATOM 3740 CD1 LEU B 205 25.847 -33.393 2.340 1.00 19.52 C +ATOM 3741 CD2 LEU B 205 25.306 -35.639 1.555 1.00 17.68 C +ATOM 3742 N MET B 206 30.967 -34.702 1.776 1.00 11.63 N +ATOM 3743 CA MET B 206 32.280 -35.322 1.487 1.00 13.00 C +ATOM 3744 C MET B 206 33.219 -35.314 2.670 1.00 12.50 C +ATOM 3745 O MET B 206 33.940 -36.295 2.930 1.00 13.24 O +ATOM 3746 CB MET B 206 32.970 -34.562 0.373 1.00 12.59 C +ATOM 3747 CG MET B 206 32.322 -34.692 -0.978 1.00 13.93 C +ATOM 3748 SD MET B 206 33.216 -33.569 -2.144 1.00 18.58 S +ATOM 3749 CE MET B 206 32.221 -33.674 -3.660 1.00 16.14 C +ATOM 3750 N GLY B 207 33.221 -34.211 3.410 1.00 12.70 N +ATOM 3751 CA GLY B 207 34.201 -33.993 4.476 1.00 13.34 C +ATOM 3752 C GLY B 207 35.584 -33.663 3.954 1.00 13.85 C +ATOM 3753 O GLY B 207 35.804 -33.622 2.739 1.00 14.17 O +ATOM 3754 N GLU B 208 36.515 -33.479 4.889 1.00 14.16 N +ATOM 3755 CA GLU B 208 37.845 -32.956 4.623 1.00 15.10 C +ATOM 3756 C GLU B 208 38.943 -33.908 4.968 1.00 15.31 C +ATOM 3757 O GLU B 208 40.114 -33.536 4.909 1.00 17.78 O +ATOM 3758 CB GLU B 208 38.079 -31.661 5.418 1.00 15.16 C +ATOM 3759 CG GLU B 208 37.159 -30.538 5.009 1.00 13.90 C +ATOM 3760 CD GLU B 208 37.396 -30.048 3.599 1.00 13.93 C +ATOM 3761 OE1 GLU B 208 38.389 -30.488 2.966 1.00 13.34 O +ATOM 3762 OE2 GLU B 208 36.595 -29.182 3.119 1.00 14.04 O +ATOM 3763 N GLY B 209 38.586 -35.121 5.334 1.00 14.87 N +ATOM 3764 CA GLY B 209 39.567 -36.082 5.853 1.00 15.55 C +ATOM 3765 C GLY B 209 39.502 -37.429 5.186 1.00 15.74 C +ATOM 3766 O GLY B 209 39.582 -37.535 3.954 1.00 16.39 O +ATOM 3767 N GLY B 210 39.371 -38.459 6.001 1.00 15.32 N +ATOM 3768 CA GLY B 210 39.522 -39.819 5.555 1.00 16.21 C +ATOM 3769 C GLY B 210 38.231 -40.592 5.443 1.00 16.27 C +ATOM 3770 O GLY B 210 38.229 -41.819 5.439 1.00 18.16 O +ATOM 3771 N ASP B 211 37.104 -39.908 5.296 1.00 16.43 N +ATOM 3772 CA ASP B 211 35.830 -40.608 5.152 1.00 16.25 C +ATOM 3773 C ASP B 211 35.690 -41.345 3.816 1.00 16.00 C +ATOM 3774 O ASP B 211 34.855 -42.236 3.714 1.00 16.59 O +ATOM 3775 CB ASP B 211 34.651 -39.646 5.297 1.00 17.67 C +ATOM 3776 CG ASP B 211 34.596 -38.961 6.643 1.00 20.20 C +ATOM 3777 OD1 ASP B 211 34.846 -39.661 7.650 1.00 23.91 O +ATOM 3778 OD2 ASP B 211 34.294 -37.733 6.658 1.00 23.22 O +ATOM 3779 N GLY B 212 36.463 -40.970 2.796 1.00 14.58 N +ATOM 3780 CA GLY B 212 36.456 -41.753 1.569 1.00 13.72 C +ATOM 3781 C GLY B 212 35.196 -41.545 0.738 1.00 13.22 C +ATOM 3782 O GLY B 212 34.776 -42.460 0.025 1.00 13.23 O +ATOM 3783 N ILE B 213 34.616 -40.336 0.818 1.00 12.12 N +ATOM 3784 CA AILE B 213 33.411 -39.969 0.064 0.50 12.41 C +ATOM 3785 CA BILE B 213 33.415 -39.963 0.073 0.50 12.02 C +ATOM 3786 C ILE B 213 33.786 -38.807 -0.853 1.00 11.93 C +ATOM 3787 O ILE B 213 33.741 -37.634 -0.455 1.00 11.46 O +ATOM 3788 CB AILE B 213 32.247 -39.531 0.986 0.50 12.65 C +ATOM 3789 CB BILE B 213 32.280 -39.501 1.016 0.50 12.47 C +ATOM 3790 CG1AILE B 213 31.748 -40.698 1.843 0.50 14.16 C +ATOM 3791 CG1BILE B 213 32.049 -40.523 2.129 0.50 13.41 C +ATOM 3792 CG2AILE B 213 31.106 -38.917 0.143 0.50 12.78 C +ATOM 3793 CG2BILE B 213 31.005 -39.214 0.203 0.50 13.40 C +ATOM 3794 CD1AILE B 213 30.971 -40.240 3.055 0.50 14.71 C +ATOM 3795 CD1BILE B 213 31.531 -41.858 1.620 0.50 14.85 C +ATOM 3796 N PRO B 214 34.175 -39.108 -2.093 1.00 11.30 N +ATOM 3797 CA PRO B 214 34.643 -38.086 -3.020 1.00 10.77 C +ATOM 3798 C PRO B 214 33.602 -37.633 -4.019 1.00 10.83 C +ATOM 3799 O PRO B 214 33.945 -36.875 -4.927 1.00 11.16 O +ATOM 3800 CB PRO B 214 35.779 -38.825 -3.742 1.00 11.04 C +ATOM 3801 CG PRO B 214 35.216 -40.188 -3.913 1.00 12.22 C +ATOM 3802 CD PRO B 214 34.424 -40.458 -2.626 1.00 11.63 C +ATOM 3803 N ALA B 215 32.370 -38.128 -3.892 1.00 10.43 N +ATOM 3804 CA ALA B 215 31.314 -37.790 -4.843 1.00 10.32 C +ATOM 3805 C ALA B 215 29.990 -37.772 -4.109 1.00 10.02 C +ATOM 3806 O ALA B 215 29.759 -38.556 -3.176 1.00 11.23 O +ATOM 3807 CB ALA B 215 31.292 -38.785 -6.000 1.00 12.34 C +ATOM 3808 N VAL B 216 29.115 -36.871 -4.558 1.00 9.81 N +ATOM 3809 CA VAL B 216 27.798 -36.635 -3.979 1.00 10.95 C +ATOM 3810 C VAL B 216 26.837 -36.395 -5.127 1.00 10.39 C +ATOM 3811 O VAL B 216 27.193 -35.747 -6.110 1.00 11.11 O +ATOM 3812 CB VAL B 216 27.861 -35.389 -3.058 1.00 11.16 C +ATOM 3813 CG1 VAL B 216 26.451 -34.962 -2.640 1.00 13.05 C +ATOM 3814 CG2 VAL B 216 28.733 -35.678 -1.814 1.00 13.70 C +ATOM 3815 N VAL B 217 25.608 -36.904 -5.007 1.00 10.20 N +ATOM 3816 CA VAL B 217 24.560 -36.633 -5.981 1.00 11.05 C +ATOM 3817 C VAL B 217 23.501 -35.729 -5.387 1.00 11.60 C +ATOM 3818 O VAL B 217 23.038 -35.930 -4.250 1.00 11.95 O +ATOM 3819 CB VAL B 217 23.912 -37.961 -6.467 1.00 11.27 C +ATOM 3820 CG1 VAL B 217 22.777 -37.704 -7.460 1.00 13.98 C +ATOM 3821 CG2 VAL B 217 24.962 -38.887 -7.051 1.00 14.31 C +ATOM 3822 N VAL B 218 23.170 -34.694 -6.147 1.00 11.25 N +ATOM 3823 CA VAL B 218 22.100 -33.745 -5.791 1.00 12.15 C +ATOM 3824 C VAL B 218 20.950 -33.917 -6.769 1.00 12.50 C +ATOM 3825 O VAL B 218 21.133 -33.764 -7.963 1.00 12.83 O +ATOM 3826 CB VAL B 218 22.616 -32.296 -5.826 1.00 12.55 C +ATOM 3827 CG1 VAL B 218 21.508 -31.338 -5.442 1.00 15.12 C +ATOM 3828 CG2 VAL B 218 23.790 -32.166 -4.880 1.00 14.41 C +ATOM 3829 N ARG B 219 19.795 -34.282 -6.249 1.00 12.57 N +ATOM 3830 CA ARG B 219 18.606 -34.614 -7.002 1.00 13.36 C +ATOM 3831 C ARG B 219 17.476 -33.639 -6.694 1.00 13.26 C +ATOM 3832 O ARG B 219 17.225 -33.293 -5.543 1.00 14.41 O +ATOM 3833 CB ARG B 219 18.205 -36.030 -6.659 1.00 14.42 C +ATOM 3834 CG ARG B 219 16.942 -36.485 -7.330 1.00 15.48 C +ATOM 3835 CD ARG B 219 16.849 -37.991 -7.362 1.00 17.74 C +ATOM 3836 NE ARG B 219 17.945 -38.569 -8.140 1.00 16.70 N +ATOM 3837 CZ ARG B 219 18.428 -39.795 -7.995 1.00 17.74 C +ATOM 3838 NH1 ARG B 219 17.879 -40.659 -7.148 1.00 19.38 N +ATOM 3839 NH2 ARG B 219 19.481 -40.170 -8.700 1.00 17.74 N +ATOM 3840 N GLY B 220 16.797 -33.182 -7.735 1.00 13.44 N +ATOM 3841 CA GLY B 220 15.618 -32.331 -7.610 1.00 13.47 C +ATOM 3842 C GLY B 220 15.791 -30.857 -7.945 1.00 14.02 C +ATOM 3843 O GLY B 220 14.848 -30.072 -7.812 1.00 16.32 O +ATOM 3844 N LEU B 221 16.997 -30.453 -8.343 1.00 13.62 N +ATOM 3845 CA LEU B 221 17.234 -29.084 -8.790 1.00 13.43 C +ATOM 3846 C LEU B 221 17.003 -28.955 -10.268 1.00 14.99 C +ATOM 3847 O LEU B 221 17.184 -29.909 -11.027 1.00 15.53 O +ATOM 3848 CB LEU B 221 18.692 -28.642 -8.503 1.00 14.50 C +ATOM 3849 CG LEU B 221 19.154 -28.632 -7.052 1.00 15.51 C +ATOM 3850 CD1 LEU B 221 20.646 -28.248 -7.000 1.00 16.53 C +ATOM 3851 CD2 LEU B 221 18.294 -27.702 -6.253 1.00 17.89 C +ATOM 3852 N ASN B 222 16.729 -27.734 -10.708 1.00 15.78 N +ATOM 3853 CA ASN B 222 16.736 -27.399 -12.124 1.00 16.54 C +ATOM 3854 C ASN B 222 17.785 -26.357 -12.435 1.00 17.14 C +ATOM 3855 O ASN B 222 17.499 -25.158 -12.510 1.00 18.85 O +ATOM 3856 CB ASN B 222 15.375 -26.898 -12.584 1.00 17.70 C +ATOM 3857 CG ASN B 222 15.409 -26.395 -14.010 1.00 19.41 C +ATOM 3858 OD1 ASN B 222 16.237 -26.852 -14.836 1.00 22.55 O +ATOM 3859 ND2 ASN B 222 14.532 -25.446 -14.322 1.00 20.46 N +ATOM 3860 N VAL B 223 19.015 -26.816 -12.604 1.00 15.65 N +ATOM 3861 CA VAL B 223 20.154 -25.927 -12.822 1.00 15.20 C +ATOM 3862 C VAL B 223 20.850 -26.300 -14.099 1.00 15.28 C +ATOM 3863 O VAL B 223 21.986 -25.935 -14.334 1.00 15.15 O +ATOM 3864 CB VAL B 223 21.127 -25.925 -11.628 1.00 14.49 C +ATOM 3865 CG1 VAL B 223 20.451 -25.298 -10.454 1.00 15.99 C +ATOM 3866 CG2 VAL B 223 21.656 -27.343 -11.309 1.00 15.69 C +ATOM 3867 N ALA B 224 20.134 -26.996 -14.981 1.00 17.37 N +ATOM 3868 CA ALA B 224 20.699 -27.378 -16.243 1.00 18.44 C +ATOM 3869 C ALA B 224 21.081 -26.166 -17.055 1.00 19.36 C +ATOM 3870 O ALA B 224 20.361 -25.137 -17.052 1.00 19.52 O +ATOM 3871 CB ALA B 224 19.681 -28.175 -17.030 1.00 19.62 C +ATOM 3872 N GLY B 225 22.223 -26.267 -17.727 1.00 20.03 N +ATOM 3873 CA GLY B 225 22.683 -25.152 -18.524 1.00 21.54 C +ATOM 3874 C GLY B 225 24.115 -25.359 -18.932 1.00 22.60 C +ATOM 3875 O GLY B 225 24.678 -26.421 -18.738 1.00 23.20 O +ATOM 3876 N GLU B 226 24.730 -24.351 -19.510 1.00 23.94 N +ATOM 3877 CA GLU B 226 26.070 -24.583 -20.060 1.00 24.71 C +ATOM 3878 C GLU B 226 27.120 -23.610 -19.482 1.00 24.80 C +ATOM 3879 O GLU B 226 27.773 -22.846 -20.196 1.00 25.97 O +ATOM 3880 CB GLU B 226 25.976 -24.652 -21.582 1.00 26.27 C +ATOM 3881 CG GLU B 226 24.881 -25.685 -22.043 1.00 29.15 C +ATOM 3882 CD GLU B 226 25.270 -27.156 -21.895 1.00 33.07 C +ATOM 3883 OE1 GLU B 226 26.472 -27.507 -22.024 1.00 36.76 O +ATOM 3884 OE2 GLU B 226 24.343 -27.975 -21.681 1.00 35.61 O +ATOM 3885 N GLY B 227 27.291 -23.665 -18.159 1.00 24.35 N +ATOM 3886 CA GLY B 227 28.333 -22.921 -17.475 1.00 23.52 C +ATOM 3887 C GLY B 227 29.789 -23.310 -17.769 1.00 22.32 C +ATOM 3888 O GLY B 227 30.112 -24.393 -18.255 1.00 19.64 O +ATOM 3889 N SER B 228 30.676 -22.366 -17.498 1.00 20.63 N +ATOM 3890 CA SER B 228 32.102 -22.660 -17.440 1.00 19.34 C +ATOM 3891 C SER B 228 32.673 -21.814 -16.328 1.00 17.12 C +ATOM 3892 O SER B 228 32.055 -20.847 -15.889 1.00 17.04 O +ATOM 3893 CB SER B 228 32.793 -22.320 -18.743 1.00 20.02 C +ATOM 3894 OG SER B 228 32.809 -20.922 -18.902 1.00 22.23 O +ATOM 3895 N MET B 229 33.870 -22.166 -15.865 1.00 15.72 N +ATOM 3896 CA MET B 229 34.482 -21.372 -14.801 1.00 15.68 C +ATOM 3897 C MET B 229 34.828 -19.967 -15.184 1.00 16.03 C +ATOM 3898 O MET B 229 34.963 -19.122 -14.317 1.00 15.08 O +ATOM 3899 CB MET B 229 35.722 -22.065 -14.249 1.00 15.12 C +ATOM 3900 CG MET B 229 35.419 -23.314 -13.483 1.00 15.80 C +ATOM 3901 SD MET B 229 34.252 -23.154 -12.098 1.00 14.80 S +ATOM 3902 CE MET B 229 35.087 -21.922 -11.114 1.00 14.37 C +ATOM 3903 N GLU B 230 34.956 -19.686 -16.474 1.00 17.57 N +ATOM 3904 CA GLU B 230 35.213 -18.308 -16.903 1.00 19.23 C +ATOM 3905 C GLU B 230 34.102 -17.356 -16.500 1.00 17.51 C +ATOM 3906 O GLU B 230 34.330 -16.162 -16.370 1.00 17.49 O +ATOM 3907 CB GLU B 230 35.401 -18.242 -18.435 1.00 20.61 C +ATOM 3908 CG GLU B 230 35.710 -16.841 -18.970 1.00 23.15 C +ATOM 3909 CD GLU B 230 35.935 -16.798 -20.471 1.00 25.96 C +ATOM 3910 OE1 GLU B 230 34.949 -16.959 -21.234 1.00 34.03 O +ATOM 3911 OE2 GLU B 230 37.093 -16.548 -20.896 1.00 33.95 O +ATOM 3912 N GLU B 231 32.897 -17.876 -16.263 1.00 16.87 N +ATOM 3913 CA GLU B 231 31.812 -17.043 -15.769 1.00 17.87 C +ATOM 3914 C GLU B 231 31.941 -16.681 -14.311 1.00 16.61 C +ATOM 3915 O GLU B 231 31.343 -15.692 -13.857 1.00 17.28 O +ATOM 3916 CB GLU B 231 30.469 -17.723 -15.911 1.00 18.85 C +ATOM 3917 CG GLU B 231 29.958 -17.809 -17.281 1.00 21.79 C +ATOM 3918 CD GLU B 231 28.708 -18.612 -17.301 1.00 23.78 C +ATOM 3919 OE1 GLU B 231 27.708 -18.124 -16.709 1.00 25.13 O +ATOM 3920 OE2 GLU B 231 28.761 -19.731 -17.862 1.00 26.17 O +ATOM 3921 N ILE B 232 32.723 -17.470 -13.581 1.00 14.99 N +ATOM 3922 CA ILE B 232 32.850 -17.280 -12.162 1.00 15.07 C +ATOM 3923 C ILE B 232 34.075 -16.462 -11.782 1.00 15.58 C +ATOM 3924 O ILE B 232 34.012 -15.545 -10.966 1.00 16.46 O +ATOM 3925 CB ILE B 232 32.820 -18.656 -11.441 1.00 15.52 C +ATOM 3926 CG1 ILE B 232 31.460 -19.321 -11.666 1.00 15.98 C +ATOM 3927 CG2 ILE B 232 33.133 -18.485 -9.944 1.00 16.80 C +ATOM 3928 CD1 ILE B 232 31.308 -20.688 -11.087 1.00 15.61 C +ATOM 3929 N TYR B 233 35.226 -16.769 -12.364 1.00 15.09 N +ATOM 3930 CA TYR B 233 36.429 -16.042 -11.989 1.00 16.13 C +ATOM 3931 C TYR B 233 36.378 -14.600 -12.460 1.00 18.10 C +ATOM 3932 O TYR B 233 36.027 -14.331 -13.598 1.00 18.83 O +ATOM 3933 CB TYR B 233 37.655 -16.744 -12.562 1.00 15.98 C +ATOM 3934 CG TYR B 233 37.865 -18.136 -12.017 1.00 14.66 C +ATOM 3935 CD1 TYR B 233 37.706 -18.408 -10.655 1.00 15.74 C +ATOM 3936 CD2 TYR B 233 38.262 -19.175 -12.839 1.00 16.67 C +ATOM 3937 CE1 TYR B 233 37.950 -19.684 -10.135 1.00 16.62 C +ATOM 3938 CE2 TYR B 233 38.506 -20.441 -12.324 1.00 16.05 C +ATOM 3939 CZ TYR B 233 38.367 -20.670 -10.963 1.00 15.72 C +ATOM 3940 OH TYR B 233 38.571 -21.912 -10.440 1.00 17.58 O +ATOM 3941 N ARG B 234 36.723 -13.680 -11.567 1.00 18.65 N +ATOM 3942 CA ARG B 234 36.852 -12.275 -11.952 1.00 20.47 C +ATOM 3943 C ARG B 234 38.097 -12.118 -12.798 1.00 21.12 C +ATOM 3944 O ARG B 234 39.150 -12.666 -12.492 1.00 21.83 O +ATOM 3945 CB ARG B 234 36.986 -11.390 -10.730 1.00 20.75 C +ATOM 3946 CG ARG B 234 35.701 -11.128 -10.060 1.00 22.91 C +ATOM 3947 CD ARG B 234 35.737 -9.840 -9.284 1.00 27.61 C +ATOM 3948 NE ARG B 234 34.381 -9.544 -8.836 1.00 28.53 N +ATOM 3949 CZ ARG B 234 33.889 -9.919 -7.671 1.00 29.13 C +ATOM 3950 NH1 ARG B 234 32.629 -9.618 -7.367 1.00 30.53 N +ATOM 3951 NH2 ARG B 234 34.652 -10.549 -6.795 1.00 29.14 N +ATOM 3952 N SER B 235 37.992 -11.315 -13.847 1.00 23.64 N +ATOM 3953 CA SER B 235 39.184 -10.917 -14.587 1.00 25.40 C +ATOM 3954 C SER B 235 40.004 -9.915 -13.764 1.00 26.61 C +ATOM 3955 O SER B 235 39.512 -9.295 -12.814 1.00 25.89 O +ATOM 3956 CB SER B 235 38.791 -10.307 -15.924 1.00 26.03 C +ATOM 3957 OG SER B 235 38.199 -9.044 -15.720 1.00 27.54 O +ATOM 3958 N GLU B 236 41.268 -9.748 -14.129 1.00 28.30 N +ATOM 3959 CA GLU B 236 42.164 -8.862 -13.394 1.00 30.04 C +ATOM 3960 C GLU B 236 41.641 -7.422 -13.370 1.00 31.34 C +ATOM 3961 O GLU B 236 41.679 -6.752 -12.346 1.00 31.98 O +ATOM 3962 CB GLU B 236 43.562 -8.906 -14.022 1.00 30.47 C +ATOM 3963 CG GLU B 236 44.628 -8.191 -13.206 1.00 31.02 C +ATOM 3964 CD GLU B 236 45.978 -8.151 -13.903 0.20 30.35 C +ATOM 3965 OE1 GLU B 236 46.195 -8.938 -14.850 0.20 30.41 O +ATOM 3966 OE2 GLU B 236 46.825 -7.326 -13.501 0.20 30.83 O +ATOM 3967 N GLU B 237 41.107 -6.970 -14.494 1.00 32.22 N +ATOM 3968 CA GLU B 237 40.634 -5.595 -14.577 1.00 32.78 C +ATOM 3969 C GLU B 237 39.345 -5.356 -13.788 1.00 32.13 C +ATOM 3970 O GLU B 237 38.966 -4.208 -13.583 1.00 32.82 O +ATOM 3971 CB GLU B 237 40.486 -5.149 -16.033 1.00 33.34 C +ATOM 3972 CG GLU B 237 39.398 -5.803 -16.837 1.00 34.58 C +ATOM 3973 CD GLU B 237 39.490 -5.408 -18.296 1.00 35.65 C +ATOM 3974 OE1 GLU B 237 40.254 -6.056 -19.047 1.00 40.05 O +ATOM 3975 OE2 GLU B 237 38.798 -4.445 -18.683 1.00 37.87 O +ATOM 3976 N GLU B 238 38.671 -6.433 -13.369 1.00 31.14 N +ATOM 3977 CA GLU B 238 37.492 -6.343 -12.496 1.00 30.40 C +ATOM 3978 C GLU B 238 37.823 -6.288 -11.009 1.00 29.75 C +ATOM 3979 O GLU B 238 37.104 -5.643 -10.250 1.00 30.83 O +ATOM 3980 CB GLU B 238 36.579 -7.559 -12.685 1.00 30.28 C +ATOM 3981 CG GLU B 238 35.752 -7.542 -13.922 1.00 29.70 C +ATOM 3982 CD GLU B 238 35.140 -8.900 -14.183 1.00 28.67 C +ATOM 3983 OE1 GLU B 238 34.033 -9.180 -13.685 1.00 28.95 O +ATOM 3984 OE2 GLU B 238 35.788 -9.707 -14.866 1.00 27.11 O +ATOM 3985 N ASP B 239 38.908 -6.955 -10.604 1.00 28.92 N +ATOM 3986 CA ASP B 239 39.081 -7.412 -9.232 1.00 27.91 C +ATOM 3987 C ASP B 239 39.836 -6.415 -8.350 1.00 28.12 C +ATOM 3988 O ASP B 239 41.057 -6.420 -8.278 1.00 27.17 O +ATOM 3989 CB ASP B 239 39.801 -8.769 -9.264 1.00 27.47 C +ATOM 3990 CG ASP B 239 39.743 -9.517 -7.936 1.00 27.25 C +ATOM 3991 OD1 ASP B 239 39.663 -8.899 -6.855 1.00 25.34 O +ATOM 3992 OD2 ASP B 239 39.823 -10.757 -7.991 1.00 24.88 O +ATOM 3993 N VAL B 240 39.094 -5.569 -7.647 1.00 28.21 N +ATOM 3994 CA VAL B 240 39.694 -4.498 -6.844 1.00 28.84 C +ATOM 3995 C VAL B 240 40.460 -5.014 -5.616 1.00 28.39 C +ATOM 3996 O VAL B 240 41.445 -4.410 -5.182 1.00 28.41 O +ATOM 3997 CB VAL B 240 38.618 -3.451 -6.441 1.00 29.49 C +ATOM 3998 CG1 VAL B 240 37.658 -4.012 -5.408 1.00 30.37 C +ATOM 3999 CG2 VAL B 240 39.252 -2.203 -5.925 1.00 30.10 C +ATOM 4000 N ILE B 241 40.034 -6.149 -5.073 1.00 27.62 N +ATOM 4001 CA ILE B 241 40.691 -6.723 -3.904 1.00 27.32 C +ATOM 4002 C ILE B 241 42.050 -7.350 -4.280 1.00 27.26 C +ATOM 4003 O ILE B 241 43.053 -7.127 -3.593 1.00 27.11 O +ATOM 4004 CB ILE B 241 39.765 -7.715 -3.181 1.00 27.25 C +ATOM 4005 CG1 ILE B 241 38.545 -6.950 -2.639 1.00 27.78 C +ATOM 4006 CG2 ILE B 241 40.501 -8.402 -2.044 1.00 26.89 C +ATOM 4007 CD1 ILE B 241 37.393 -7.829 -2.207 1.00 28.22 C +ATOM 4008 N ARG B 242 42.066 -8.107 -5.371 1.00 27.04 N +ATOM 4009 CA ARG B 242 43.309 -8.642 -5.961 1.00 27.24 C +ATOM 4010 C ARG B 242 44.326 -7.527 -6.254 1.00 27.22 C +ATOM 4011 O ARG B 242 45.504 -7.651 -5.884 1.00 25.71 O +ATOM 4012 CB ARG B 242 42.958 -9.422 -7.234 1.00 26.85 C +ATOM 4013 CG ARG B 242 44.118 -9.986 -8.032 1.00 27.67 C +ATOM 4014 CD ARG B 242 43.564 -10.788 -9.200 1.00 29.52 C +ATOM 4015 NE ARG B 242 44.554 -11.076 -10.242 1.00 31.47 N +ATOM 4016 CZ ARG B 242 44.244 -11.600 -11.426 1.00 32.64 C +ATOM 4017 NH1 ARG B 242 42.978 -11.885 -11.728 1.00 33.25 N +ATOM 4018 NH2 ARG B 242 45.202 -11.839 -12.320 1.00 33.49 N +ATOM 4019 N ARG B 243 43.857 -6.449 -6.874 1.00 27.38 N +ATOM 4020 CA ARG B 243 44.691 -5.271 -7.173 1.00 29.04 C +ATOM 4021 C ARG B 243 45.275 -4.652 -5.915 1.00 28.45 C +ATOM 4022 O ARG B 243 46.456 -4.296 -5.880 1.00 29.30 O +ATOM 4023 CB ARG B 243 43.867 -4.222 -7.909 1.00 29.09 C +ATOM 4024 CG ARG B 243 44.697 -3.087 -8.493 1.00 30.82 C +ATOM 4025 CD ARG B 243 43.836 -2.063 -9.245 1.00 32.68 C +ATOM 4026 NE ARG B 243 42.831 -2.701 -10.100 1.00 35.63 N +ATOM 4027 CZ ARG B 243 41.512 -2.652 -9.912 1.00 37.01 C +ATOM 4028 NH1 ARG B 243 40.987 -1.972 -8.900 1.00 38.36 N +ATOM 4029 NH2 ARG B 243 40.704 -3.287 -10.755 1.00 37.55 N +ATOM 4030 N ACYS B 244 44.445 -4.514 -4.884 0.50 28.28 N +ATOM 4031 N BCYS B 244 44.458 -4.514 -4.878 0.50 28.18 N +ATOM 4032 CA ACYS B 244 44.889 -3.981 -3.598 0.50 28.17 C +ATOM 4033 CA BCYS B 244 44.936 -3.969 -3.615 0.50 28.06 C +ATOM 4034 C ACYS B 244 45.955 -4.868 -2.954 0.50 28.10 C +ATOM 4035 C BCYS B 244 45.982 -4.872 -2.969 0.50 28.06 C +ATOM 4036 O ACYS B 244 46.957 -4.370 -2.440 0.50 28.21 O +ATOM 4037 O BCYS B 244 46.995 -4.390 -2.462 0.50 28.13 O +ATOM 4038 CB ACYS B 244 43.697 -3.800 -2.645 0.50 27.95 C +ATOM 4039 CB BCYS B 244 43.778 -3.746 -2.649 0.50 27.97 C +ATOM 4040 SG ACYS B 244 42.537 -2.465 -3.098 0.50 28.65 S +ATOM 4041 SG BCYS B 244 44.310 -3.175 -1.027 0.50 27.83 S +ATOM 4042 N LEU B 245 45.753 -6.184 -2.984 1.00 28.35 N +ATOM 4043 CA LEU B 245 46.721 -7.113 -2.389 1.00 28.83 C +ATOM 4044 C LEU B 245 48.091 -7.045 -3.065 1.00 29.97 C +ATOM 4045 O LEU B 245 49.136 -7.055 -2.386 1.00 29.74 O +ATOM 4046 CB LEU B 245 46.206 -8.555 -2.412 1.00 28.63 C +ATOM 4047 CG LEU B 245 45.044 -8.841 -1.457 1.00 28.64 C +ATOM 4048 CD1 LEU B 245 44.567 -10.266 -1.672 1.00 27.56 C +ATOM 4049 CD2 LEU B 245 45.445 -8.621 -0.010 1.00 29.78 C +ATOM 4050 N LYS B 246 48.095 -6.965 -4.387 1.00 31.24 N +ATOM 4051 CA LYS B 246 49.371 -6.884 -5.100 1.00 33.68 C +ATOM 4052 C LYS B 246 50.085 -5.556 -4.803 1.00 33.98 C +ATOM 4053 O LYS B 246 51.308 -5.545 -4.678 1.00 34.49 O +ATOM 4054 CB LYS B 246 49.222 -7.162 -6.601 1.00 33.52 C +ATOM 4055 CG LYS B 246 48.438 -6.172 -7.399 1.00 35.32 C +ATOM 4056 CD LYS B 246 48.509 -6.502 -8.894 1.00 35.96 C +ATOM 4057 CE LYS B 246 49.900 -6.276 -9.469 1.00 37.31 C +ATOM 4058 NZ LYS B 246 49.890 -6.228 -10.959 1.00 37.71 N +ATOM 4059 N ARG B 247 49.329 -4.466 -4.658 1.00 34.50 N +ATOM 4060 CA ARG B 247 49.870 -3.205 -4.117 0.50 35.03 C +ATOM 4061 C ARG B 247 50.475 -3.377 -2.717 1.00 35.62 C +ATOM 4062 O ARG B 247 51.535 -2.824 -2.410 1.00 36.09 O +ATOM 4063 CB ARG B 247 48.782 -2.130 -4.040 0.50 35.18 C +ATOM 4064 CG ARG B 247 48.457 -1.444 -5.350 0.50 35.65 C +ATOM 4065 CD ARG B 247 47.337 -0.429 -5.172 0.50 35.88 C +ATOM 4066 NE ARG B 247 47.670 0.619 -4.203 0.50 36.85 N +ATOM 4067 CZ ARG B 247 46.800 1.490 -3.688 0.50 36.94 C +ATOM 4068 NH1 ARG B 247 45.515 1.461 -4.032 0.50 37.18 N +ATOM 4069 NH2 ARG B 247 47.215 2.402 -2.815 0.50 37.11 N +ATOM 4070 N CYS B 248 49.789 -4.121 -1.855 1.00 36.28 N +ATOM 4071 CA CYS B 248 50.234 -4.318 -0.480 1.00 36.80 C +ATOM 4072 C CYS B 248 51.464 -5.211 -0.354 1.00 37.53 C +ATOM 4073 O CYS B 248 52.240 -5.056 0.592 1.00 37.67 O +ATOM 4074 CB CYS B 248 49.105 -4.917 0.364 1.00 36.70 C +ATOM 4075 SG CYS B 248 47.780 -3.764 0.741 1.00 36.71 S +ATOM 4076 N LEU B 249 51.635 -6.143 -1.292 1.00 38.21 N +ATOM 4077 CA LEU B 249 52.679 -7.155 -1.174 1.00 38.85 C +ATOM 4078 C LEU B 249 54.054 -6.503 -1.224 1.00 39.30 C +ATOM 4079 O LEU B 249 54.328 -5.675 -2.099 1.00 39.90 O +ATOM 4080 CB LEU B 249 52.555 -8.223 -2.271 1.00 39.03 C +ATOM 4081 CG LEU B 249 53.465 -9.454 -2.093 1.00 38.68 C +ATOM 4082 CD1 LEU B 249 53.021 -10.339 -0.931 1.00 39.29 C +ATOM 4083 CD2 LEU B 249 53.534 -10.276 -3.371 1.00 38.86 C Added: SwiftApps/modFTdock/app/2PHN_000.dat =================================================================== --- SwiftApps/modFTdock/app/2PHN_000.dat (rev 0) +++ SwiftApps/modFTdock/app/2PHN_000.dat 2011-04-04 20:30:18 UTC (rev 4269) @@ -0,0 +1,1603 @@ +FTDOCK data file + +Global Scan + +Command line controllable values +Static molecule :: 2PHN.pdb +Mobile molecule :: 4TRA.pdb + +Global grid size :: 364 (user defined calculated) +Global search angle step :: 10 (user defined) +Global surface thickness :: 1.30 (default) +Global internal deterrent value :: -15.00 (default) +Electrostatics :: off (user defined) +Global keep per rotation :: 10 (user defined) + +Calculated values +Global rotations :: 15840 +Global total span (angstroms) :: 182.449 +Global grid cell span (angstroms) :: 0.501 + +Data +Type ID prvID SCscore ESratio Coordinates Angles + +G_DATA 1 0 895 0.000 -62 33 45 150 110 200 +G_DATA 2 0 895 0.000 -62 32 45 150 110 200 +G_DATA 3 0 893 0.000 5 21 52 150 100 310 +G_DATA 4 0 879 0.000 -32 -78 0 230 90 140 +G_DATA 5 0 869 0.000 -61 32 45 150 110 200 +G_DATA 6 0 868 0.000 -61 33 45 150 110 200 +G_DATA 7 0 864 0.000 -30 -78 2 230 90 140 +G_DATA 8 0 859 0.000 -35 -59 -16 310 150 260 +G_DATA 9 0 855 0.000 -31 -78 2 230 90 140 +G_DATA 10 0 851 0.000 -45 -70 24 310 80 220 +G_DATA 11 0 839 0.000 -62 32 46 150 110 200 +G_DATA 12 0 835 0.000 -14 16 85 110 50 228 +G_DATA 13 0 825 0.000 -62 31 46 150 110 200 +G_DATA 14 0 820 0.000 -31 -78 1 230 90 140 +G_DATA 15 0 820 0.000 -47 -71 23 310 80 220 +G_DATA 16 0 819 0.000 19 5 66 110 60 140 +G_DATA 17 0 815 0.000 -43 -71 24 310 80 220 +G_DATA 18 0 806 0.000 -61 31 45 150 110 200 +G_DATA 19 0 804 0.000 -36 -59 -17 310 150 260 +G_DATA 20 0 804 0.000 -37 -59 -17 310 150 260 +G_DATA 21 0 804 0.000 -51 9 -38 310 100 0 +G_DATA 22 0 804 0.000 -62 27 48 150 110 200 +G_DATA 23 0 800 0.000 -30 -78 3 230 90 140 +G_DATA 24 0 800 0.000 -44 -70 24 310 80 220 +G_DATA 25 0 799 0.000 -46 -70 24 310 80 220 +G_DATA 26 0 797 0.000 -62 33 44 150 110 200 +G_DATA 27 0 793 0.000 -13 16 85 110 50 228 +G_DATA 28 0 792 0.000 32 14 62 230 80 0 +G_DATA 29 0 790 0.000 17 86 -4 270 90 0 +G_DATA 30 0 790 0.000 -61 33 44 150 110 200 +G_DATA 31 0 784 0.000 -36 -59 -16 310 150 260 +G_DATA 32 0 779 0.000 61 9 -40 150 100 310 +G_DATA 33 0 779 0.000 42 47 51 30 120 260 +G_DATA 34 0 778 0.000 17 4 68 110 60 140 +G_DATA 35 0 778 0.000 -48 -70 23 310 80 220 +G_DATA 36 0 776 0.000 75 -52 26 350 40 135 +G_DATA 37 0 775 0.000 -43 -70 25 310 80 220 +G_DATA 38 0 774 0.000 5 22 52 150 100 310 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514 0.000 -8 -2 -93 150 20 288 +G_DATA 1577 0 514 0.000 -23 -9 111 110 20 24 +G_DATA 1578 0 513 0.000 -85 -26 40 150 20 288 +G_DATA 1579 0 512 0.000 -60 -31 53 110 20 24 +G_DATA 1580 0 511 0.000 -18 -104 -60 30 70 60 Added: SwiftApps/modFTdock/app/4TRA.pdb =================================================================== --- SwiftApps/modFTdock/app/4TRA.pdb (rev 0) +++ SwiftApps/modFTdock/app/4TRA.pdb 2011-04-04 20:30:18 UTC (rev 4269) @@ -0,0 +1,1652 @@ +ATOM 1 OP3 G A 1 23.310 31.674 59.557 0.55 43.73 O +ATOM 2 P G A 1 23.956 32.681 60.656 0.55 44.71 P +ATOM 3 OP1 G A 1 25.382 32.748 60.220 0.55 44.92 O +ATOM 4 OP2 G A 1 23.290 34.019 60.607 0.55 42.38 O +ATOM 5 O5' G A 1 23.713 31.950 62.046 0.86 35.51 O +ATOM 6 C5' G A 1 23.820 32.681 63.290 1.00 33.29 C +ATOM 7 C4' G A 1 23.204 31.787 64.357 1.00 34.35 C +ATOM 8 O4' G A 1 21.841 32.113 64.535 1.00 30.75 O +ATOM 9 C3' G A 1 23.197 30.297 63.985 1.00 35.86 C +ATOM 10 O3' G A 1 24.453 29.684 64.244 1.00 40.42 O +ATOM 11 C2' G A 1 22.058 29.763 64.858 1.00 31.69 C +ATOM 12 O2' G A 1 22.581 29.549 66.183 1.00 28.80 O +ATOM 13 C1' G A 1 21.092 30.921 64.842 1.00 29.94 C +ATOM 14 N9 G A 1 20.026 30.758 63.840 1.00 27.08 N +ATOM 15 C8 G A 1 20.056 31.118 62.515 1.00 28.25 C +ATOM 16 N7 G A 1 18.947 30.859 61.868 1.00 28.56 N +ATOM 17 C5 G A 1 18.127 30.286 62.838 1.00 25.31 C +ATOM 18 C6 G A 1 16.802 29.785 62.773 1.00 26.75 C +ATOM 19 O6 G A 1 16.065 29.757 61.787 1.00 25.45 O +ATOM 20 N1 G A 1 16.322 29.291 63.953 1.00 25.73 N +ATOM 21 C2 G A 1 17.065 29.279 65.101 1.00 25.07 C +ATOM 22 N2 G A 1 16.455 28.762 66.167 1.00 26.29 N +ATOM 23 N3 G A 1 18.314 29.729 65.214 1.00 23.17 N +ATOM 24 C4 G A 1 18.780 30.218 64.050 1.00 23.19 C +ATOM 25 P C A 2 25.056 28.470 63.387 1.00 49.37 P +ATOM 26 OP1 C A 2 26.485 28.740 63.000 1.00 43.76 O +ATOM 27 OP2 C A 2 24.150 28.397 62.208 1.00 44.42 O +ATOM 28 O5' C A 2 24.952 27.239 64.406 1.00 39.87 O +ATOM 29 C5' C A 2 24.243 26.058 63.953 1.00 37.41 C +ATOM 30 C4' C A 2 23.111 25.799 64.923 1.00 37.41 C +ATOM 31 O4' C A 2 22.158 26.851 64.939 1.00 36.47 O +ATOM 32 C3' C A 2 22.288 24.557 64.535 1.00 37.29 C +ATOM 33 O3' C A 2 22.974 23.343 64.890 1.00 40.61 O +ATOM 34 C2' C A 2 20.982 24.821 65.262 1.00 36.80 C +ATOM 35 O2' C A 2 21.178 24.461 66.636 1.00 39.77 O +ATOM 36 C1' C A 2 20.849 26.311 65.149 1.00 35.09 C +ATOM 37 N1 C A 2 19.989 26.631 63.985 1.00 32.55 N +ATOM 38 C2 C A 2 18.823 25.912 63.808 1.00 31.22 C +ATOM 39 O2 C A 2 18.490 25.024 64.583 1.00 29.90 O +ATOM 40 N3 C A 2 18.047 26.215 62.725 1.00 30.98 N +ATOM 41 C4 C A 2 18.394 27.188 61.836 1.00 30.39 C +ATOM 42 N4 C A 2 17.594 27.441 60.801 1.00 29.45 N +ATOM 43 C5 C A 2 19.596 27.924 62.030 1.00 30.32 C +ATOM 44 C6 C A 2 20.342 27.610 63.096 1.00 30.25 C +ATOM 45 P G A 3 23.497 22.443 63.630 1.00 48.40 P +ATOM 46 OP1 G A 3 24.793 21.774 63.953 1.00 40.08 O +ATOM 47 OP2 G A 3 23.587 23.444 62.531 1.00 39.94 O +ATOM 48 O5' G A 3 22.301 21.381 63.484 1.00 37.08 O +ATOM 49 C5' G A 3 21.642 21.077 64.729 1.00 35.89 C +ATOM 50 C4' G A 3 20.216 20.672 64.438 1.00 37.55 C +ATOM 51 O4' G A 3 19.406 21.813 64.163 1.00 33.08 O +ATOM 52 C3' G A 3 20.056 19.784 63.193 1.00 35.85 C +ATOM 53 O3' G A 3 20.386 18.429 63.468 1.00 36.61 O +ATOM 54 C2' G A 3 18.597 20.014 62.822 1.00 33.59 C +ATOM 55 O2' G A 3 17.814 19.177 63.662 1.00 32.67 O +ATOM 56 C1' G A 3 18.400 21.482 63.193 1.00 32.42 C +ATOM 57 N9 G A 3 18.470 22.319 61.981 1.00 32.53 N +ATOM 58 C8 G A 3 19.446 23.180 61.561 1.00 32.25 C +ATOM 59 N7 G A 3 19.177 23.775 60.430 1.00 30.37 N +ATOM 60 C5 G A 3 17.927 23.275 60.074 1.00 29.28 C +ATOM 61 C6 G A 3 17.095 23.534 58.959 1.00 29.92 C +ATOM 62 O6 G A 3 17.308 24.293 58.005 1.00 28.16 O +ATOM 63 N1 G A 3 15.912 22.837 58.959 1.00 30.27 N +ATOM 64 C2 G A 3 15.579 21.971 59.961 1.00 33.02 C +ATOM 65 N2 G A 3 14.390 21.369 59.799 1.00 35.92 N +ATOM 66 N3 G A 3 16.319 21.690 61.028 1.00 28.38 N +ATOM 67 C4 G A 3 17.478 22.381 61.028 1.00 30.04 C +ATOM 68 P G A 4 21.215 17.513 62.450 1.00 47.69 P +ATOM 69 OP1 G A 4 22.161 16.596 63.177 1.00 46.13 O +ATOM 70 OP2 G A 4 21.925 18.474 61.561 1.00 43.36 O +ATOM 71 O5' G A 4 20.059 16.681 61.723 1.00 37.46 O +ATOM 72 C5' G A 4 20.173 16.534 60.284 1.00 31.08 C +ATOM 73 C4' G A 4 18.767 16.534 59.719 1.00 25.17 C +ATOM 74 O4' G A 4 18.144 17.788 59.929 1.00 22.23 O +ATOM 75 C3' G A 4 18.707 16.321 58.215 1.00 25.88 C +ATOM 76 O3' G A 4 18.850 14.949 57.828 1.00 27.06 O +ATOM 77 C2' G A 4 17.348 16.917 57.860 1.00 26.15 C +ATOM 78 O2' G A 4 16.378 15.916 58.167 1.00 27.28 O +ATOM 79 C1' G A 4 17.278 18.075 58.846 1.00 23.13 C +ATOM 80 N9 G A 4 17.694 19.289 58.119 1.00 19.06 N +ATOM 81 C8 G A 4 18.750 20.115 58.393 1.00 19.00 C +ATOM 82 N7 G A 4 18.873 21.111 57.553 1.00 17.81 N +ATOM 83 C5 G A 4 17.817 20.925 56.664 1.00 18.66 C +ATOM 84 C6 G A 4 17.408 21.678 55.516 1.00 20.16 C +ATOM 85 O6 G A 4 17.927 22.702 55.064 1.00 19.43 O +ATOM 86 N1 G A 4 16.305 21.172 54.886 1.00 18.14 N +ATOM 87 C2 G A 4 15.666 20.048 55.306 1.00 17.90 C +ATOM 88 N2 G A 4 14.603 19.694 54.579 1.00 19.56 N +ATOM 89 N3 G A 4 16.005 19.312 56.357 1.00 16.17 N +ATOM 90 C4 G A 4 17.088 19.806 56.987 1.00 16.65 C +ATOM 91 P A A 5 20.089 14.640 56.809 1.00 28.41 P +ATOM 92 OP1 A A 5 20.439 13.184 56.906 1.00 32.32 O +ATOM 93 OP2 A A 5 21.169 15.505 57.343 1.00 26.68 O +ATOM 94 O5' A A 5 19.526 15.016 55.371 1.00 16.70 O +ATOM 95 C5' A A 5 18.627 14.066 54.724 1.00 16.63 C +ATOM 96 C4' A A 5 17.628 14.887 53.949 1.00 16.22 C +ATOM 97 O4' A A 5 17.358 16.090 54.644 1.00 17.33 O +ATOM 98 C3' A A 5 18.124 15.337 52.575 1.00 17.89 C +ATOM 99 O3' A A 5 18.011 14.330 51.573 1.00 15.55 O +ATOM 100 C2' A A 5 17.248 16.562 52.300 1.00 13.53 C +ATOM 101 O2' A A 5 16.005 16.073 51.815 1.00 11.51 O +ATOM 102 C1' A A 5 17.131 17.130 53.690 1.00 14.94 C +ATOM 103 N9 A A 5 18.161 18.170 53.836 1.00 14.40 N +ATOM 104 C8 A A 5 19.193 18.181 54.757 1.00 11.88 C +ATOM 105 N7 A A 5 19.963 19.233 54.660 1.00 12.69 N +ATOM 106 C5 A A 5 19.400 19.958 53.609 1.00 13.64 C +ATOM 107 C6 A A 5 19.770 21.195 53.028 1.00 17.30 C +ATOM 108 N6 A A 5 20.812 21.909 53.415 1.00 15.64 N +ATOM 109 N1 A A 5 18.967 21.605 51.993 1.00 18.26 N +ATOM 110 C2 A A 5 17.894 20.875 51.589 1.00 17.81 C +ATOM 111 N3 A A 5 17.491 19.705 52.090 1.00 14.01 N +ATOM 112 C4 A A 5 18.291 19.312 53.108 1.00 12.30 C +ATOM 113 P U A 6 19.410 13.853 50.910 1.00 17.85 P +ATOM 114 OP1 U A 6 19.257 12.441 50.425 1.00 23.85 O +ATOM 115 OP2 U A 6 20.412 14.027 51.993 1.00 8.17 O +ATOM 116 O5' U A 6 19.583 14.865 49.682 1.00 6.78 O +ATOM 117 C5' U A 6 18.500 14.893 48.728 1.00 5.01 C +ATOM 118 C4' U A 6 18.600 16.219 48.001 1.00 6.97 C +ATOM 119 O4' U A 6 18.487 17.299 48.922 1.00 7.21 O +ATOM 120 C3' U A 6 19.939 16.444 47.306 1.00 8.35 C +ATOM 121 O3' U A 6 20.003 15.753 46.062 1.00 6.95 O +ATOM 122 C2' U A 6 19.979 17.962 47.193 1.00 1.29 C +ATOM 123 O2' U A 6 19.200 18.305 46.062 1.00 1.41 O +ATOM 124 C1' U A 6 19.303 18.401 48.486 1.00 2.21 C +ATOM 125 N1 U A 6 20.302 18.778 49.504 1.00 1.08 N +ATOM 126 C2 U A 6 21.115 19.862 49.197 1.00 2.33 C +ATOM 127 O2 U A 6 20.999 20.470 48.130 1.00 0.00 O +ATOM 128 N3 U A 6 22.051 20.234 50.118 1.00 0.00 N +ATOM 129 C4 U A 6 22.201 19.581 51.298 1.00 0.00 C +ATOM 130 O4 U A 6 23.094 20.003 52.090 1.00 1.46 O +ATOM 131 C5 U A 6 21.355 18.468 51.605 1.00 2.95 C +ATOM 132 C6 U A 6 20.442 18.114 50.684 1.00 0.36 C +ATOM 133 P U A 7 21.388 15.078 45.577 1.00 8.92 P +ATOM 134 OP1 U A 7 21.145 14.027 44.542 1.00 13.89 O +ATOM 135 OP2 U A 7 21.998 14.550 46.821 1.00 12.32 O +ATOM 136 O5' U A 7 22.125 16.360 44.946 1.00 15.19 O +ATOM 137 C5' U A 7 21.368 17.018 43.896 1.00 10.20 C +ATOM 138 C4' U A 7 22.038 18.328 43.557 1.00 3.40 C +ATOM 139 O4' U A 7 22.174 19.126 44.736 1.00 3.48 O +ATOM 140 C3' U A 7 23.470 18.181 42.991 1.00 0.00 C +ATOM 141 O3' U A 7 23.693 19.160 41.940 1.00 3.91 O +ATOM 142 C2' U A 7 24.336 18.440 44.203 1.00 0.00 C +ATOM 143 O2' U A 7 25.595 18.896 43.815 1.00 0.00 O +ATOM 144 C1' U A 7 23.547 19.486 44.946 1.00 0.00 C +ATOM 145 N1 U A 7 23.937 19.486 46.353 1.00 0.00 N +ATOM 146 C2 U A 7 24.699 20.543 46.821 1.00 0.00 C +ATOM 147 O2 U A 7 25.036 21.448 46.062 1.00 0.00 O +ATOM 148 N3 U A 7 25.056 20.543 48.130 1.00 0.00 N +ATOM 149 C4 U A 7 24.689 19.548 48.987 1.00 0.00 C +ATOM 150 O4 U A 7 25.059 19.615 50.199 1.00 0.00 O +ATOM 151 C5 U A 7 23.903 18.463 48.502 1.00 4.66 C +ATOM 152 C6 U A 7 23.560 18.479 47.193 1.00 1.45 C +ATOM 153 P U A 8 23.384 18.637 40.437 1.00 6.43 P +ATOM 154 OP1 U A 8 23.787 19.683 39.435 1.00 10.99 O +ATOM 155 OP2 U A 8 21.938 18.333 40.502 1.00 10.90 O +ATOM 156 O5' U A 8 24.333 17.355 40.292 1.00 6.66 O +ATOM 157 C5' U A 8 25.705 17.591 39.872 1.00 3.30 C +ATOM 158 C4' U A 8 26.118 16.439 38.999 1.00 0.00 C +ATOM 159 O4' U A 8 25.945 15.224 39.710 1.00 0.00 O +ATOM 160 C3' U A 8 25.286 16.264 37.738 1.00 0.00 C +ATOM 161 O3' U A 8 25.662 17.102 36.639 1.00 0.00 O +ATOM 162 C2' U A 8 25.519 14.780 37.431 1.00 0.00 C +ATOM 163 O2' U A 8 26.795 14.730 36.801 1.00 0.00 O +ATOM 164 C1' U A 8 25.572 14.184 38.805 1.00 0.00 C +ATOM 165 N1 U A 8 24.240 13.673 39.177 1.00 0.25 N +ATOM 166 C2 U A 8 23.733 12.576 38.498 1.00 0.00 C +ATOM 167 O2 U A 8 24.380 12.031 37.609 1.00 0.53 O +ATOM 168 N3 U A 8 22.498 12.127 38.870 1.00 0.00 N +ATOM 169 C4 U A 8 21.765 12.717 39.855 1.00 2.78 C +ATOM 170 O4 U A 8 20.622 12.228 40.114 1.00 1.19 O +ATOM 171 C5 U A 8 22.298 13.853 40.534 1.00 0.41 C +ATOM 172 C6 U A 8 23.514 14.280 40.163 1.00 0.00 C +ATOM 173 P A A 9 24.553 17.681 35.621 1.00 0.00 P +ATOM 174 OP1 A A 9 24.400 19.165 35.815 1.00 12.98 O +ATOM 175 OP2 A A 9 23.317 16.950 35.977 1.00 6.30 O +ATOM 176 O5' A A 9 25.092 17.361 34.167 1.00 0.00 O +ATOM 177 C5' A A 9 26.245 18.092 33.649 1.00 3.31 C +ATOM 178 C4' A A 9 25.962 18.198 32.162 1.00 4.34 C +ATOM 179 O4' A A 9 25.992 16.894 31.597 1.00 6.42 O +ATOM 180 C3' A A 9 24.583 18.789 31.855 1.00 6.32 C +ATOM 181 O3' A A 9 24.616 19.576 30.643 1.00 10.36 O +ATOM 182 C2' A A 9 23.743 17.546 31.645 1.00 3.67 C +ATOM 183 O2' A A 9 22.611 17.799 30.869 1.00 7.65 O +ATOM 184 C1' A A 9 24.739 16.619 30.966 1.00 2.02 C +ATOM 185 N9 A A 9 24.223 15.247 31.128 1.00 0.81 N +ATOM 186 C8 A A 9 23.204 14.814 31.936 1.00 1.30 C +ATOM 187 N7 A A 9 22.961 13.532 31.839 1.00 2.89 N +ATOM 188 C5 A A 9 23.877 13.088 30.886 1.00 3.22 C +ATOM 189 C6 A A 9 24.120 11.806 30.352 1.00 1.42 C +ATOM 190 N6 A A 9 23.454 10.715 30.692 1.00 0.00 N +ATOM 191 N1 A A 9 25.122 11.750 29.415 1.00 5.85 N +ATOM 192 C2 A A 9 25.825 12.858 29.059 1.00 5.07 C +ATOM 193 N3 A A 9 25.649 14.094 29.528 1.00 5.13 N +ATOM 194 C4 A A 9 24.656 14.139 30.449 1.00 5.09 C +ATOM 195 P G A 10 25.129 21.094 30.562 1.00 9.42 P +ATOM 196 OP1 G A 10 25.615 21.420 29.172 1.00 0.00 O +ATOM 197 OP2 G A 10 26.212 21.150 31.580 1.00 8.19 O +ATOM 198 O5' G A 10 23.873 22.004 30.934 1.00 7.35 O +ATOM 199 C5' G A 10 23.823 23.343 30.320 1.00 13.13 C +ATOM 200 C4' G A 10 22.401 23.517 29.835 1.00 7.32 C +ATOM 201 O4' G A 10 22.244 22.960 28.558 1.00 3.56 O +ATOM 202 C3' G A 10 21.385 22.786 30.724 1.00 2.05 C +ATOM 203 O3' G A 10 21.085 23.534 31.872 1.00 0.00 O +ATOM 204 C2' G A 10 20.216 22.612 29.754 1.00 7.47 C +ATOM 205 O2' G A 10 19.506 23.843 29.770 1.00 12.40 O +ATOM 206 C1' G A 10 20.929 22.387 28.445 1.00 9.59 C +ATOM 207 N9 G A 10 21.072 20.959 28.122 1.00 12.51 N +ATOM 208 C8 G A 10 22.258 20.301 27.863 1.00 10.30 C +ATOM 209 N7 G A 10 22.108 19.031 27.605 1.00 11.42 N +ATOM 210 C5 G A 10 20.732 18.834 27.685 1.00 13.46 C +ATOM 211 C6 G A 10 19.936 17.670 27.508 1.00 15.52 C +ATOM 212 O6 G A 10 20.339 16.534 27.233 1.00 12.63 O +ATOM 213 N1 G A 10 18.590 17.861 27.685 1.00 16.10 N +ATOM 214 C2 G A 10 18.074 19.081 27.993 1.00 16.77 C +ATOM 215 N2 G A 10 16.738 19.160 28.138 1.00 12.38 N +ATOM 216 CM2 G A 10 16.382 20.543 28.461 1.00 11.08 C +ATOM 217 N3 G A 10 18.767 20.211 28.170 1.00 14.81 N +ATOM 218 C4 G A 10 20.089 20.009 28.009 1.00 11.85 C +ATOM 219 P C A 11 20.382 23.106 33.229 1.00 4.01 P +ATOM 220 OP1 C A 11 20.229 24.259 34.199 1.00 1.00 O +ATOM 221 OP2 C A 11 21.252 22.055 33.827 1.00 7.38 O +ATOM 222 O5' C A 11 18.950 22.640 32.728 1.00 6.52 O +ATOM 223 C5' C A 11 17.847 23.590 32.906 1.00 11.92 C +ATOM 224 C4' C A 11 16.622 22.702 32.857 1.00 6.89 C +ATOM 225 O4' C A 11 16.638 21.959 31.661 1.00 11.16 O +ATOM 226 C3' C A 11 16.582 21.667 33.972 1.00 5.09 C +ATOM 227 O3' C A 11 16.095 22.241 35.168 1.00 6.14 O +ATOM 228 C2' C A 11 15.689 20.599 33.342 1.00 11.39 C +ATOM 229 O2' C A 11 14.340 21.026 33.520 1.00 16.75 O +ATOM 230 C1' C A 11 16.082 20.655 31.888 1.00 10.47 C +ATOM 231 N1 C A 11 17.088 19.638 31.548 1.00 13.53 N +ATOM 232 C2 C A 11 16.632 18.356 31.306 1.00 16.96 C +ATOM 233 O2 C A 11 15.432 18.086 31.419 1.00 14.24 O +ATOM 234 N3 C A 11 17.554 17.406 30.966 1.00 20.48 N +ATOM 235 C4 C A 11 18.883 17.692 30.853 1.00 16.84 C +ATOM 236 N4 C A 11 19.723 16.709 30.530 1.00 14.05 N +ATOM 237 C5 C A 11 19.340 19.014 31.096 1.00 13.92 C +ATOM 238 C6 C A 11 18.417 19.936 31.419 1.00 13.87 C +ATOM 239 P U A 12 15.822 21.420 36.510 1.00 6.00 P +ATOM 240 OP1 U A 12 14.950 22.162 37.480 1.00 11.43 O +ATOM 241 OP2 U A 12 17.191 21.223 37.060 1.00 6.75 O +ATOM 242 O5' U A 12 15.089 20.093 36.025 1.00 6.44 O +ATOM 243 C5' U A 12 13.660 19.952 36.203 1.00 6.76 C +ATOM 244 C4' U A 12 13.377 18.468 36.268 1.00 7.30 C +ATOM 245 O4' U A 12 13.834 17.844 35.088 1.00 6.64 O +ATOM 246 C3' U A 12 14.107 17.732 37.383 1.00 4.70 C +ATOM 247 O3' U A 12 13.444 17.839 38.643 1.00 3.80 O +ATOM 248 C2' U A 12 14.130 16.298 36.849 1.00 7.59 C +ATOM 249 O2' U A 12 12.848 15.759 37.156 1.00 7.28 O +ATOM 250 C1' U A 12 14.310 16.512 35.379 1.00 13.71 C +ATOM 251 N1 U A 12 15.719 16.388 34.958 1.00 20.72 N +ATOM 252 C2 U A 12 16.122 15.157 34.457 1.00 18.94 C +ATOM 253 O2 U A 12 15.336 14.218 34.377 1.00 15.19 O +ATOM 254 N3 U A 12 17.421 15.033 34.053 1.00 19.01 N +ATOM 255 C4 U A 12 18.314 16.062 34.134 1.00 17.34 C +ATOM 256 O4 U A 12 19.493 15.837 33.730 1.00 21.87 O +ATOM 257 C5 U A 12 17.881 17.316 34.651 1.00 17.38 C +ATOM 258 C6 U A 12 16.605 17.428 35.039 1.00 18.19 C +ATOM 259 P C A 13 14.033 17.068 39.904 1.00 2.89 P +ATOM 260 OP1 C A 13 13.114 17.147 41.084 1.00 3.98 O +ATOM 261 OP2 C A 13 15.346 17.737 40.130 1.00 5.42 O +ATOM 262 O5' C A 13 14.187 15.567 39.387 1.00 4.80 O +ATOM 263 C5' C A 13 15.016 14.713 40.211 1.00 2.46 C +ATOM 264 C4' C A 13 15.233 13.437 39.419 1.00 1.93 C +ATOM 265 O4' C A 13 15.729 13.718 38.126 1.00 0.00 O +ATOM 266 C3' C A 13 16.282 12.520 40.049 1.00 3.55 C +ATOM 267 O3' C A 13 15.736 11.773 41.132 1.00 1.36 O +ATOM 268 C2' C A 13 16.722 11.671 38.853 1.00 3.74 C +ATOM 269 O2' C A 13 15.749 10.642 38.724 1.00 8.08 O +ATOM 270 C1' C A 13 16.645 12.678 37.722 1.00 3.48 C +ATOM 271 N1 C A 13 17.961 13.257 37.415 1.00 4.60 N +ATOM 272 C2 C A 13 18.813 12.481 36.639 1.00 5.47 C +ATOM 273 O2 C A 13 18.480 11.356 36.268 1.00 3.94 O +ATOM 274 N3 C A 13 20.033 13.004 36.316 1.00 10.84 N +ATOM 275 C4 C A 13 20.419 14.246 36.736 1.00 8.88 C +ATOM 276 N4 C A 13 21.625 14.696 36.381 1.00 4.12 N +ATOM 277 C5 C A 13 19.530 15.033 37.512 1.00 9.81 C +ATOM 278 C6 C A 13 18.334 14.505 37.819 1.00 7.86 C +ATOM 279 P A A 14 16.652 10.912 42.134 1.00 0.00 P +ATOM 280 OP1 A A 14 15.885 10.462 43.330 1.00 11.31 O +ATOM 281 OP2 A A 14 17.701 11.891 42.522 1.00 7.15 O +ATOM 282 O5' A A 14 17.061 9.704 41.181 1.00 3.36 O +ATOM 283 C5' A A 14 17.574 8.478 41.730 1.00 6.69 C +ATOM 284 C4' A A 14 17.724 7.466 40.615 1.00 5.08 C +ATOM 285 O4' A A 14 18.057 8.051 39.371 1.00 0.00 O +ATOM 286 C3' A A 14 18.877 6.482 40.874 1.00 2.72 C +ATOM 287 O3' A A 14 18.534 5.481 41.843 1.00 1.71 O +ATOM 288 C2' A A 14 19.157 5.965 39.484 1.00 7.69 C +ATOM 289 O2' A A 14 18.154 4.970 39.225 1.00 6.46 O +ATOM 290 C1' A A 14 18.927 7.185 38.643 1.00 0.00 C +ATOM 291 N9 A A 14 20.216 7.859 38.385 1.00 0.33 N +ATOM 292 C8 A A 14 20.559 9.141 38.757 1.00 3.70 C +ATOM 293 N7 A A 14 21.771 9.495 38.385 1.00 1.53 N +ATOM 294 C5 A A 14 22.258 8.366 37.754 1.00 0.00 C +ATOM 295 C6 A A 14 23.510 8.118 37.140 1.00 4.25 C +ATOM 296 N6 A A 14 24.503 8.995 37.076 1.00 4.25 N +ATOM 297 N1 A A 14 23.647 6.870 36.591 1.00 1.32 N +ATOM 298 C2 A A 14 22.634 5.965 36.639 1.00 0.64 C +ATOM 299 N3 A A 14 21.442 6.139 37.205 1.00 0.00 N +ATOM 300 C4 A A 14 21.318 7.365 37.738 1.00 0.00 C +ATOM 301 P G A 15 19.456 5.605 43.185 1.00 1.67 P +ATOM 302 OP1 G A 15 18.750 5.049 44.365 1.00 17.45 O +ATOM 303 OP2 G A 15 19.756 7.050 43.266 1.00 9.28 O +ATOM 304 O5' G A 15 20.719 4.722 42.765 1.00 10.27 O +ATOM 305 C5' G A 15 20.689 4.188 41.423 1.00 7.86 C +ATOM 306 C4' G A 15 22.128 4.127 40.954 1.00 6.80 C +ATOM 307 O4' G A 15 22.331 5.127 39.952 1.00 10.07 O +ATOM 308 C3' G A 15 23.187 4.419 41.989 1.00 2.79 C +ATOM 309 O3' G A 15 23.544 3.317 42.846 0.90 9.63 O +ATOM 310 C2' G A 15 24.356 4.852 41.116 1.00 6.46 C +ATOM 311 O2' G A 15 24.956 3.654 40.647 1.00 6.00 O +ATOM 312 C1' G A 15 23.657 5.611 40.017 1.00 9.74 C +ATOM 313 N9 G A 15 23.780 7.028 40.389 1.00 12.21 N +ATOM 314 C8 G A 15 22.894 7.781 41.116 1.00 14.58 C +ATOM 315 N7 G A 15 23.287 9.018 41.310 1.00 16.29 N +ATOM 316 C5 G A 15 24.520 9.080 40.664 1.00 15.66 C +ATOM 317 C6 G A 15 25.449 10.148 40.518 1.00 16.84 C +ATOM 318 O6 G A 15 25.336 11.300 40.954 1.00 14.57 O +ATOM 319 N1 G A 15 26.575 9.816 39.791 1.00 14.07 N +ATOM 320 C2 G A 15 26.771 8.568 39.290 1.00 11.60 C +ATOM 321 N2 G A 15 27.917 8.399 38.611 1.00 15.41 N +ATOM 322 N3 G A 15 25.938 7.539 39.403 1.00 9.72 N +ATOM 323 C4 G A 15 24.833 7.865 40.098 1.00 12.76 C +ATOM 324 P U A 16 24.193 3.778 44.268 0.90 13.88 P +ATOM 325 OP1 U A 16 23.147 4.318 45.189 0.90 12.56 O +ATOM 326 OP2 U A 16 25.156 4.829 43.847 0.90 15.63 O +ATOM 327 O5' U A 16 24.853 2.457 44.849 0.90 22.09 O +ATOM 328 C5' U A 16 24.090 1.226 44.898 0.76 25.26 C +ATOM 329 C4' U A 16 24.723 0.399 46.013 0.76 29.19 C +ATOM 330 O4' U A 16 24.126 0.759 47.242 0.76 29.89 O +ATOM 331 C3' U A 16 24.526 -1.113 45.835 0.76 31.53 C +ATOM 332 O3' U A 16 25.715 -1.838 46.256 0.69 29.35 O +ATOM 333 C1' U A 16 23.560 -0.416 47.872 0.76 32.84 C +ATOM 334 C2' U A 16 23.327 -1.377 46.724 0.76 31.38 C +ATOM 335 O2' U A 16 23.304 -2.727 47.112 0.76 34.76 O +ATOM 336 N1 U A 16 22.344 -0.039 48.583 0.61 37.16 N +ATOM 337 C2 U A 16 22.504 0.663 49.730 0.61 41.18 C +ATOM 338 O2 U A 16 23.573 1.006 50.199 0.61 43.75 O +ATOM 339 N3 U A 16 21.332 1.006 50.393 0.61 42.30 N +ATOM 340 C4 U A 16 20.059 0.708 50.005 0.61 42.03 C +ATOM 341 O4 U A 16 19.103 1.074 50.684 0.61 43.82 O +ATOM 342 C5 U A 16 19.933 -0.062 48.745 0.61 40.18 C +ATOM 343 C6 U A 16 21.169 -0.905 48.486 0.61 38.03 C +ATOM 344 P U A 17 26.761 -2.254 45.092 0.69 28.84 P +ATOM 345 OP1 U A 17 27.298 -1.035 44.397 0.69 34.24 O +ATOM 346 OP2 U A 17 25.912 -3.036 44.155 0.69 26.72 O +ATOM 347 O5' U A 17 27.924 -3.064 45.787 0.57 26.88 O +ATOM 348 C5' U A 17 28.440 -2.833 47.112 0.57 23.53 C +ATOM 349 C4' U A 17 29.932 -2.541 46.999 0.57 19.51 C +ATOM 350 O4' U A 17 30.649 -3.739 46.741 0.57 20.05 O +ATOM 351 C3' U A 17 30.295 -1.580 45.852 0.57 15.39 C +ATOM 352 O3' U A 17 31.395 -0.737 46.256 1.00 10.60 O +ATOM 353 C1' U A 17 31.421 -3.615 45.528 0.57 16.72 C +ATOM 354 C2' U A 17 30.729 -2.524 44.753 0.57 14.10 C +ATOM 355 O2' U A 17 31.561 -1.878 43.831 0.57 12.70 O +ATOM 356 N1 U A 17 31.468 -4.897 44.833 0.96 11.89 N +ATOM 357 C2 U A 17 30.808 -5.037 43.670 0.96 15.22 C +ATOM 358 O2 U A 17 29.949 -4.284 43.250 0.96 22.01 O +ATOM 359 N3 U A 17 31.025 -6.229 42.991 0.96 17.46 N +ATOM 360 C4 U A 17 31.931 -7.191 43.314 0.96 20.71 C +ATOM 361 O4 U A 17 32.021 -8.197 42.619 0.96 24.03 O +ATOM 362 C5 U A 17 32.767 -6.926 44.510 0.96 22.14 C +ATOM 363 C6 U A 17 32.021 -6.066 45.512 0.96 17.90 C +ATOM 364 P G A 18 31.381 0.140 47.581 1.00 6.79 P +ATOM 365 OP1 G A 18 31.721 -0.646 48.809 1.00 9.37 O +ATOM 366 OP2 G A 18 29.986 0.663 47.629 1.00 12.80 O +ATOM 367 O5' G A 18 32.494 1.254 47.274 1.00 3.89 O +ATOM 368 C5' G A 18 32.161 2.237 46.256 1.00 6.76 C +ATOM 369 C4' G A 18 33.297 2.187 45.237 1.00 5.75 C +ATOM 370 O4' G A 18 34.373 2.963 45.755 1.00 6.67 O +ATOM 371 C3' G A 18 33.836 0.787 44.979 1.00 0.00 C +ATOM 372 O3' G A 18 34.366 0.618 43.654 1.00 0.00 O +ATOM 373 C2' G A 18 35.029 0.725 45.916 1.00 0.00 C +ATOM 374 O2' G A 18 35.898 -0.270 45.464 1.00 2.08 O +ATOM 375 C1' G A 18 35.538 2.142 45.835 1.00 0.00 C +ATOM 376 N9 G A 18 36.401 2.412 46.999 1.00 0.00 N +ATOM 377 C8 G A 18 36.384 1.872 48.244 1.00 0.00 C +ATOM 378 N7 G A 18 37.320 2.333 49.035 1.00 0.00 N +ATOM 379 C5 G A 18 38.010 3.250 48.244 1.00 0.00 C +ATOM 380 C6 G A 18 39.129 4.082 48.518 1.00 0.00 C +ATOM 381 O6 G A 18 39.756 4.166 49.569 1.00 1.20 O +ATOM 382 N1 G A 18 39.529 4.857 47.452 1.00 0.00 N +ATOM 383 C2 G A 18 38.903 4.829 46.256 1.00 0.00 C +ATOM 384 N2 G A 18 39.406 5.644 45.318 1.00 0.00 N +ATOM 385 N3 G A 18 37.854 4.070 45.949 1.00 0.38 N +ATOM 386 C4 G A 18 37.457 3.306 46.983 1.00 3.99 C +ATOM 387 P G A 19 33.790 0.748 42.183 1.00 0.00 P +ATOM 388 OP1 G A 19 32.687 1.743 42.070 1.00 1.97 O +ATOM 389 OP2 G A 19 33.247 -0.613 41.908 1.00 1.44 O +ATOM 390 O5' G A 19 35.072 1.130 41.310 1.00 0.00 O +ATOM 391 C5' G A 19 35.129 2.209 40.373 1.00 0.00 C +ATOM 392 C4' G A 19 36.364 2.080 39.500 1.00 0.00 C +ATOM 393 O4' G A 19 37.427 1.495 40.227 1.00 8.34 O +ATOM 394 C3' G A 19 36.181 1.158 38.272 1.00 0.00 C +ATOM 395 O3' G A 19 36.901 1.709 37.156 1.00 1.83 O +ATOM 396 C2' G A 19 36.784 -0.163 38.757 1.00 0.00 C +ATOM 397 O2' G A 19 37.114 -0.905 37.609 1.00 2.96 O +ATOM 398 C1' G A 19 37.917 0.281 39.581 1.00 0.00 C +ATOM 399 N9 G A 19 38.300 -0.568 40.712 1.00 0.00 N +ATOM 400 C8 G A 19 37.504 -1.451 41.391 1.00 0.00 C +ATOM 401 N7 G A 19 38.110 -2.052 42.377 1.00 0.00 N +ATOM 402 C5 G A 19 39.399 -1.529 42.361 1.00 0.00 C +ATOM 403 C6 G A 19 40.532 -1.777 43.169 1.00 0.00 C +ATOM 404 O6 G A 19 40.621 -2.558 44.122 1.00 0.00 O +ATOM 405 N1 G A 19 41.644 -1.051 42.829 1.00 1.20 N +ATOM 406 C2 G A 19 41.658 -0.163 41.795 1.00 0.99 C +ATOM 407 N2 G A 19 42.820 0.467 41.585 1.00 0.00 N +ATOM 408 N3 G A 19 40.618 0.107 40.987 1.00 5.20 N +ATOM 409 C4 G A 19 39.526 -0.607 41.326 1.00 1.71 C +ATOM 410 P G A 20 36.408 3.115 36.526 1.00 2.55 P +ATOM 411 OP1 G A 20 37.547 3.918 35.960 1.00 1.87 O +ATOM 412 OP2 G A 20 35.755 3.806 37.658 1.00 0.00 O +ATOM 413 O5' G A 20 35.452 2.659 35.346 1.00 0.00 O +ATOM 414 C5' G A 20 36.095 2.530 34.037 1.00 0.00 C +ATOM 415 C4' G A 20 34.942 2.254 33.100 1.00 0.00 C +ATOM 416 O4' G A 20 34.076 1.310 33.698 1.00 0.00 O +ATOM 417 C3' G A 20 34.073 3.469 32.809 1.00 0.00 C +ATOM 418 O3' G A 20 34.629 4.329 31.807 1.00 1.61 O +ATOM 419 C2' G A 20 32.757 2.805 32.405 1.00 0.01 C +ATOM 420 O2' G A 20 32.874 2.412 31.047 1.00 4.44 O +ATOM 421 C1' G A 20 32.737 1.597 33.326 1.00 0.00 C +ATOM 422 N9 G A 20 31.894 1.923 34.490 1.00 0.00 N +ATOM 423 C8 G A 20 32.134 1.720 35.815 1.00 0.00 C +ATOM 424 N7 G A 20 31.168 2.136 36.607 1.00 0.00 N +ATOM 425 C5 G A 20 30.219 2.642 35.718 1.00 2.19 C +ATOM 426 C6 G A 20 28.946 3.238 35.928 1.00 0.00 C +ATOM 427 O6 G A 20 28.377 3.441 37.011 1.00 0.00 O +ATOM 428 N1 G A 20 28.297 3.621 34.781 1.00 0.00 N +ATOM 429 C2 G A 20 28.837 3.446 33.552 1.00 0.60 C +ATOM 430 N2 G A 20 28.084 3.874 32.518 1.00 0.15 N +ATOM 431 N3 G A 20 30.022 2.895 33.294 1.00 0.00 N +ATOM 432 C4 G A 20 30.655 2.519 34.425 1.00 0.00 C +ATOM 433 P A A 21 35.508 5.605 32.276 1.00 0.00 P +ATOM 434 OP1 A A 21 36.168 6.268 31.112 1.00 0.00 O +ATOM 435 OP2 A A 21 36.508 4.976 33.197 1.00 2.01 O +ATOM 436 O5' A A 21 34.479 6.555 33.019 1.00 0.00 O +ATOM 437 C5' A A 21 33.500 7.326 32.308 1.00 0.00 C +ATOM 438 C4' A A 21 32.154 7.162 32.971 1.00 1.08 C +ATOM 439 O4' A A 21 32.064 7.933 34.150 1.00 2.40 O +ATOM 440 C3' A A 21 30.985 7.652 32.098 1.00 0.00 C +ATOM 441 O3' A A 21 30.609 6.690 31.144 1.00 5.12 O +ATOM 442 C2' A A 21 29.902 7.916 33.148 1.00 0.00 C +ATOM 443 O2' A A 21 29.316 6.651 33.423 1.00 0.54 O +ATOM 444 C1' A A 21 30.715 8.427 34.312 1.00 2.79 C +ATOM 445 N9 A A 21 30.729 9.900 34.377 1.00 0.00 N +ATOM 446 C8 A A 21 31.578 10.772 33.746 1.00 0.00 C +ATOM 447 N7 A A 21 31.335 12.031 34.021 1.00 4.38 N +ATOM 448 C5 A A 21 30.246 11.986 34.878 1.00 3.49 C +ATOM 449 C6 A A 21 29.509 13.009 35.524 1.00 0.00 C +ATOM 450 N6 A A 21 29.759 14.297 35.411 1.00 0.47 N +ATOM 451 N1 A A 21 28.487 12.576 36.316 1.00 0.25 N +ATOM 452 C2 A A 21 28.200 11.250 36.461 1.00 1.02 C +ATOM 453 N3 A A 21 28.853 10.249 35.896 1.00 5.26 N +ATOM 454 C4 A A 21 29.866 10.676 35.104 1.00 1.73 C +ATOM 455 P G A 22 29.383 6.640 30.158 1.00 0.00 P +ATOM 456 OP1 G A 22 29.393 5.318 29.415 1.00 12.63 O +ATOM 457 OP2 G A 22 29.589 7.786 29.237 1.00 8.98 O +ATOM 458 O5' G A 22 28.047 6.735 31.015 1.00 1.57 O +ATOM 459 C5' G A 22 26.844 6.842 30.191 1.00 5.53 C +ATOM 460 C4' G A 22 25.709 6.319 31.031 1.00 0.85 C +ATOM 461 O4' G A 22 25.889 6.786 32.356 1.00 5.66 O +ATOM 462 C3' G A 22 24.323 6.825 30.643 1.00 0.74 C +ATOM 463 O3' G A 22 23.727 6.094 29.560 1.00 3.90 O +ATOM 464 C2' G A 22 23.573 6.668 31.952 1.00 0.67 C +ATOM 465 O2' G A 22 23.247 5.279 32.049 1.00 0.00 O +ATOM 466 C1' G A 22 24.613 7.016 32.971 1.00 2.41 C +ATOM 467 N9 G A 22 24.566 8.433 33.375 1.00 7.09 N +ATOM 468 C8 G A 22 25.605 9.333 33.310 1.00 10.11 C +ATOM 469 N7 G A 22 25.302 10.530 33.746 1.00 10.90 N +ATOM 470 C5 G A 22 23.970 10.406 34.134 1.00 4.07 C +ATOM 471 C6 G A 22 23.070 11.345 34.700 1.00 5.94 C +ATOM 472 O6 G A 22 23.287 12.531 34.975 1.00 4.48 O +ATOM 473 N1 G A 22 21.818 10.839 34.958 1.00 12.00 N +ATOM 474 C2 G A 22 21.482 9.552 34.700 1.00 8.56 C +ATOM 475 N2 G A 22 20.222 9.220 35.007 1.00 10.54 N +ATOM 476 N3 G A 22 22.288 8.624 34.167 1.00 10.69 N +ATOM 477 C4 G A 22 23.514 9.125 33.924 1.00 8.12 C +ATOM 478 P A A 23 22.847 6.909 28.477 1.00 5.94 P +ATOM 479 OP1 A A 23 22.881 6.274 27.120 1.00 0.73 O +ATOM 480 OP2 A A 23 23.493 8.253 28.477 1.00 12.20 O +ATOM 481 O5' A A 23 21.385 6.898 29.092 1.00 0.00 O +ATOM 482 C5' A A 23 20.709 5.616 29.269 1.00 6.09 C +ATOM 483 C4' A A 23 19.446 5.931 30.045 1.00 6.73 C +ATOM 484 O4' A A 23 19.783 6.527 31.274 1.00 5.74 O +ATOM 485 C3' A A 23 18.517 6.938 29.350 1.00 5.97 C +ATOM 486 O3' A A 23 17.708 6.359 28.332 1.00 1.13 O +ATOM 487 C2' A A 23 17.738 7.472 30.546 1.00 7.79 C +ATOM 488 O2' A A 23 16.728 6.510 30.837 1.00 11.50 O +ATOM 489 C1' A A 23 18.787 7.477 31.629 1.00 10.64 C +ATOM 490 N9 A A 23 19.363 8.832 31.710 1.00 15.20 N +ATOM 491 C8 A A 23 20.599 9.226 31.257 1.00 15.68 C +ATOM 492 N7 A A 23 20.849 10.491 31.451 1.00 18.24 N +ATOM 493 C5 A A 23 19.703 10.969 32.065 1.00 12.32 C +ATOM 494 C6 A A 23 19.360 12.262 32.534 1.00 15.50 C +ATOM 495 N6 A A 23 20.149 13.318 32.437 1.00 18.17 N +ATOM 496 N1 A A 23 18.121 12.351 33.100 1.00 20.60 N +ATOM 497 C2 A A 23 17.295 11.278 33.213 1.00 20.47 C +ATOM 498 N3 A A 23 17.561 10.041 32.793 1.00 21.86 N +ATOM 499 C4 A A 23 18.784 9.957 32.243 1.00 17.48 C +ATOM 500 P G A 24 17.501 6.983 26.861 1.00 5.70 P +ATOM 501 OP1 G A 24 17.378 5.920 25.795 1.00 8.31 O +ATOM 502 OP2 G A 24 18.624 7.905 26.603 1.00 4.78 O +ATOM 503 O5' G A 24 16.075 7.702 27.007 1.00 11.85 O +ATOM 504 C5' G A 24 15.213 7.073 28.009 1.00 15.16 C +ATOM 505 C4' G A 24 14.407 8.208 28.591 1.00 13.30 C +ATOM 506 O4' G A 24 15.000 8.731 29.754 1.00 13.68 O +ATOM 507 C3' G A 24 14.303 9.406 27.637 1.00 14.60 C +ATOM 508 O3' G A 24 13.364 9.158 26.603 1.00 14.10 O +ATOM 509 C2' G A 24 13.967 10.519 28.607 1.00 17.86 C +ATOM 510 O2' G A 24 12.568 10.418 28.882 1.00 9.54 O +ATOM 511 C1' G A 24 14.773 10.125 29.819 1.00 17.94 C +ATOM 512 N9 G A 24 16.045 10.867 29.754 1.00 19.56 N +ATOM 513 C8 G A 24 17.278 10.344 29.447 1.00 24.47 C +ATOM 514 N7 G A 24 18.244 11.233 29.447 1.00 25.68 N +ATOM 515 C5 G A 24 17.598 12.419 29.787 1.00 25.21 C +ATOM 516 C6 G A 24 18.091 13.740 29.948 1.00 27.48 C +ATOM 517 O6 G A 24 19.257 14.134 29.819 1.00 26.09 O +ATOM 518 N1 G A 24 17.128 14.656 30.288 1.00 30.45 N +ATOM 519 C2 G A 24 15.819 14.319 30.449 1.00 27.68 C +ATOM 520 N2 G A 24 15.006 15.337 30.789 1.00 27.86 N +ATOM 521 N3 G A 24 15.306 13.099 30.304 1.00 24.78 N +ATOM 522 C4 G A 24 16.249 12.200 29.964 1.00 21.58 C +ATOM 523 P C A 25 12.541 10.131 25.665 1.00 23.08 P +ATOM 524 OP1 C A 25 11.465 10.817 26.473 1.00 24.45 O +ATOM 525 OP2 C A 25 11.948 9.220 24.631 1.00 26.26 O +ATOM 526 O5' C A 25 13.467 11.244 25.003 1.00 18.54 O +ATOM 527 C5' C A 25 12.704 12.329 24.372 1.00 21.82 C +ATOM 528 C4' C A 25 12.468 13.392 25.423 1.00 21.60 C +ATOM 529 O4' C A 25 13.247 13.099 26.570 1.00 20.29 O +ATOM 530 C3' C A 25 12.901 14.803 25.019 1.00 21.88 C +ATOM 531 O3' C A 25 11.952 15.511 24.211 1.00 16.04 O +ATOM 532 C2' C A 25 13.127 15.466 26.376 1.00 20.93 C +ATOM 533 O2' C A 25 11.838 15.877 26.845 1.00 17.33 O +ATOM 534 C1' C A 25 13.677 14.319 27.168 1.00 17.48 C +ATOM 535 N1 C A 25 15.149 14.325 27.136 1.00 13.20 N +ATOM 536 C2 C A 25 15.826 15.489 27.427 1.00 17.05 C +ATOM 537 O2 C A 25 15.206 16.501 27.750 1.00 16.74 O +ATOM 538 N3 C A 25 17.195 15.455 27.378 1.00 18.39 N +ATOM 539 C4 C A 25 17.874 14.330 27.023 1.00 16.80 C +ATOM 540 N4 C A 25 19.203 14.330 26.974 1.00 12.35 N +ATOM 541 C5 C A 25 17.161 13.139 26.700 1.00 17.02 C +ATOM 542 C6 C A 25 15.822 13.189 26.764 1.00 12.57 C +ATOM 543 P G A 26 12.321 15.702 22.643 1.00 29.87 P +ATOM 544 OP1 G A 26 11.072 15.663 21.819 1.00 33.15 O +ATOM 545 OP2 G A 26 13.211 14.544 22.368 1.00 23.48 O +ATOM 546 O5' G A 26 13.047 17.113 22.562 1.00 22.58 O +ATOM 547 C5' G A 26 12.741 18.131 23.564 1.00 24.79 C +ATOM 548 C4' G A 26 14.000 18.963 23.694 1.00 20.77 C +ATOM 549 O4' G A 26 14.820 18.401 24.712 1.00 18.03 O +ATOM 550 C3' G A 26 14.866 18.997 22.449 1.00 18.83 C +ATOM 551 O3' G A 26 14.417 19.947 21.496 1.00 16.54 O +ATOM 552 C2' G A 26 16.242 19.328 23.031 1.00 20.38 C +ATOM 553 O2' G A 26 16.299 20.734 23.209 1.00 22.35 O +ATOM 554 C1' G A 26 16.195 18.586 24.372 1.00 23.07 C +ATOM 555 N9 G A 26 16.925 17.316 24.227 1.00 24.84 N +ATOM 556 C8 G A 26 16.435 16.045 24.114 1.00 23.72 C +ATOM 557 N7 G A 26 17.365 15.123 24.001 1.00 23.35 N +ATOM 558 C5 G A 26 18.554 15.848 24.065 1.00 21.52 C +ATOM 559 C6 G A 26 19.913 15.432 24.001 1.00 22.80 C +ATOM 560 O6 G A 26 20.339 14.274 23.887 1.00 22.96 O +ATOM 561 N1 G A 26 20.825 16.456 24.097 1.00 20.51 N +ATOM 562 C2 G A 26 20.442 17.749 24.227 1.00 23.90 C +ATOM 563 N2 G A 26 21.375 18.693 24.308 1.00 25.45 N +ATOM 564 N3 G A 26 19.193 18.198 24.292 1.00 22.42 N +ATOM 565 C4 G A 26 18.297 17.192 24.194 1.00 21.82 C +ATOM 566 CM1 G A 26 20.815 20.009 24.453 1.00 21.30 C +ATOM 567 CM2 G A 26 22.721 18.316 24.259 1.00 24.30 C +ATOM 568 P C A 27 14.347 19.744 19.895 1.00 20.07 P +ATOM 569 OP1 C A 27 13.314 20.616 19.249 1.00 15.88 O +ATOM 570 OP2 C A 27 13.997 18.305 19.766 1.00 25.96 O +ATOM 571 O5' C A 27 15.822 20.138 19.427 1.00 16.34 O +ATOM 572 C5' C A 27 16.592 20.981 20.332 1.00 15.72 C +ATOM 573 C4' C A 27 18.024 20.903 19.863 1.00 17.30 C +ATOM 574 O4' C A 27 18.797 20.155 20.784 1.00 18.55 O +ATOM 575 C3' C A 27 18.207 20.183 18.522 1.00 18.37 C +ATOM 576 O3' C A 27 17.911 21.021 17.406 1.00 23.90 O +ATOM 577 C2' C A 27 19.673 19.739 18.619 1.00 17.05 C +ATOM 578 O2' C A 27 20.476 20.858 18.247 1.00 19.18 O +ATOM 579 C1' C A 27 19.806 19.424 20.089 1.00 14.80 C +ATOM 580 N1 C A 27 19.623 17.979 20.283 1.00 20.01 N +ATOM 581 C2 C A 27 20.662 17.142 19.928 1.00 18.21 C +ATOM 582 O2 C A 27 21.705 17.591 19.459 1.00 16.44 O +ATOM 583 N3 C A 27 20.479 15.798 20.105 1.00 17.00 N +ATOM 584 C4 C A 27 19.323 15.292 20.623 1.00 21.09 C +ATOM 585 N4 C A 27 19.203 13.971 20.784 1.00 23.04 N +ATOM 586 C5 C A 27 18.260 16.169 20.994 1.00 18.01 C +ATOM 587 C6 C A 27 18.457 17.479 20.801 1.00 19.95 C +ATOM 588 P C A 28 18.077 20.582 15.871 1.00 33.10 P +ATOM 589 OP1 C A 28 17.758 21.706 14.934 1.00 25.70 O +ATOM 590 OP2 C A 28 17.098 19.469 15.710 1.00 32.53 O +ATOM 591 O5' C A 28 19.610 20.144 15.774 1.00 19.71 O +ATOM 592 C5' C A 28 20.419 20.627 14.675 1.00 18.88 C +ATOM 593 C4' C A 28 21.548 19.643 14.465 1.00 20.19 C +ATOM 594 O4' C A 28 21.821 18.918 15.645 1.00 20.55 O +ATOM 595 C3' C A 28 21.258 18.564 13.415 1.00 19.77 C +ATOM 596 O3' C A 28 21.448 19.031 12.089 1.00 25.59 O +ATOM 597 C2' C A 28 22.238 17.462 13.818 1.00 17.66 C +ATOM 598 O2' C A 28 23.503 17.822 13.269 1.00 20.65 O +ATOM 599 C1' C A 28 22.244 17.580 15.322 1.00 17.06 C +ATOM 600 N1 C A 28 21.368 16.574 15.952 1.00 15.63 N +ATOM 601 C2 C A 28 21.781 15.252 15.871 1.00 16.77 C +ATOM 602 O2 C A 28 22.827 14.949 15.305 1.00 17.51 O +ATOM 603 N3 C A 28 20.989 14.302 16.453 1.00 16.03 N +ATOM 604 C4 C A 28 19.826 14.628 17.083 1.00 15.19 C +ATOM 605 N4 C A 28 19.093 13.661 17.633 1.00 14.44 N +ATOM 606 C5 C A 28 19.416 15.989 17.164 1.00 17.77 C +ATOM 607 C6 C A 28 20.209 16.911 16.582 1.00 16.79 C +ATOM 608 P A A 29 20.302 18.839 10.974 1.00 34.75 P +ATOM 609 OP1 A A 29 20.602 19.683 9.778 1.00 29.69 O +ATOM 610 OP2 A A 29 19.060 19.250 11.685 1.00 31.89 O +ATOM 611 O5' A A 29 20.376 17.276 10.667 1.00 26.67 O +ATOM 612 C5' A A 29 20.965 16.894 9.406 1.00 27.49 C +ATOM 613 C4' A A 29 21.861 15.702 9.649 1.00 26.49 C +ATOM 614 O4' A A 29 22.051 15.477 11.039 1.00 25.60 O +ATOM 615 C3' A A 29 21.285 14.381 9.132 1.00 25.08 C +ATOM 616 O3' A A 29 21.428 14.201 7.725 1.00 22.54 O +ATOM 617 C2' A A 29 22.055 13.363 9.972 1.00 23.29 C +ATOM 618 O2' A A 29 23.334 13.223 9.358 1.00 22.73 O +ATOM 619 C1' A A 29 22.168 14.078 11.281 1.00 21.55 C +ATOM 620 N9 A A 29 21.065 13.588 12.138 1.00 18.46 N +ATOM 621 C8 A A 29 20.003 14.314 12.606 1.00 19.07 C +ATOM 622 N7 A A 29 19.167 13.611 13.334 1.00 17.22 N +ATOM 623 C5 A A 29 19.723 12.335 13.334 1.00 16.57 C +ATOM 624 C6 A A 29 19.296 11.132 13.932 1.00 19.45 C +ATOM 625 N6 A A 29 18.197 11.030 14.659 1.00 18.51 N +ATOM 626 N1 A A 29 20.103 10.052 13.722 1.00 21.52 N +ATOM 627 C2 A A 29 21.239 10.148 12.962 1.00 18.07 C +ATOM 628 N3 A A 29 21.698 11.250 12.364 1.00 17.75 N +ATOM 629 C4 A A 29 20.889 12.307 12.590 1.00 17.61 C +ATOM 630 P G A 30 20.049 13.712 7.014 1.00 28.73 P +ATOM 631 OP1 G A 30 20.029 14.100 5.576 1.00 28.93 O +ATOM 632 OP2 G A 30 19.010 14.409 7.822 1.00 28.96 O +ATOM 633 O5' G A 30 20.093 12.127 7.241 1.00 24.12 O +ATOM 634 C5' G A 30 21.305 11.553 7.774 1.00 23.01 C +ATOM 635 C4' G A 30 21.039 10.114 8.162 1.00 22.38 C +ATOM 636 O4' G A 30 20.775 10.058 9.568 1.00 23.65 O +ATOM 637 C3' G A 30 19.819 9.462 7.531 1.00 23.59 C +ATOM 638 O3' G A 30 20.093 8.984 6.222 1.00 25.81 O +ATOM 639 C2' G A 30 19.486 8.349 8.533 1.00 22.06 C +ATOM 640 O2' G A 30 20.346 7.252 8.259 1.00 21.95 O +ATOM 641 C1' G A 30 19.839 9.001 9.859 1.00 21.11 C +ATOM 642 N9 G A 30 18.624 9.496 10.521 1.00 17.84 N +ATOM 643 C8 G A 30 18.134 10.766 10.618 1.00 15.79 C +ATOM 644 N7 G A 30 17.025 10.862 11.313 1.00 14.31 N +ATOM 645 C5 G A 30 16.768 9.552 11.701 1.00 16.78 C +ATOM 646 C6 G A 30 15.716 8.984 12.477 1.00 19.20 C +ATOM 647 O6 G A 30 14.753 9.574 12.978 1.00 18.18 O +ATOM 648 N1 G A 30 15.809 7.623 12.655 1.00 18.94 N +ATOM 649 C2 G A 30 16.828 6.887 12.138 1.00 19.57 C +ATOM 650 N2 G A 30 16.778 5.571 12.396 1.00 17.51 N +ATOM 651 N3 G A 30 17.837 7.365 11.410 1.00 19.89 N +ATOM 652 C4 G A 30 17.744 8.703 11.233 1.00 18.38 C +ATOM 653 P A A 31 19.010 8.928 5.043 1.00 37.02 P +ATOM 654 OP1 A A 31 19.583 8.219 3.830 1.00 30.97 O +ATOM 655 OP2 A A 31 18.707 10.356 4.752 1.00 26.58 O +ATOM 656 O5' A A 31 17.808 8.084 5.673 1.00 30.07 O +ATOM 657 C5' A A 31 17.621 6.729 5.172 1.00 30.35 C +ATOM 658 C4' A A 31 16.995 5.926 6.303 1.00 27.81 C +ATOM 659 O4' A A 31 17.195 6.595 7.531 1.00 26.76 O +ATOM 660 C3' A A 31 15.483 5.740 6.190 1.00 26.45 C +ATOM 661 O3' A A 31 15.083 4.694 5.301 1.00 30.61 O +ATOM 662 C2' A A 31 15.113 5.470 7.661 1.00 24.54 C +ATOM 663 O2' A A 31 15.386 4.098 7.903 1.00 28.13 O +ATOM 664 C1' A A 31 16.082 6.364 8.388 1.00 22.42 C +ATOM 665 N9 A A 31 15.389 7.612 8.744 1.00 21.95 N +ATOM 666 C8 A A 31 15.696 8.894 8.372 1.00 22.76 C +ATOM 667 N7 A A 31 14.876 9.805 8.841 1.00 19.49 N +ATOM 668 C5 A A 31 13.967 9.057 9.584 1.00 20.04 C +ATOM 669 C6 A A 31 12.841 9.451 10.360 1.00 20.83 C +ATOM 670 N6 A A 31 12.431 10.699 10.505 1.00 21.29 N +ATOM 671 N1 A A 31 12.172 8.422 10.958 1.00 25.93 N +ATOM 672 C2 A A 31 12.571 7.129 10.828 1.00 26.19 C +ATOM 673 N3 A A 31 13.617 6.690 10.134 1.00 23.41 N +ATOM 674 C4 A A 31 14.270 7.713 9.536 1.00 22.31 C +ATOM 675 N1 C A 32 11.289 7.882 7.160 1.00 35.76 N +ATOM 676 C2 C A 32 10.706 9.018 7.677 1.00 35.78 C +ATOM 677 N3 C A 32 11.312 10.215 7.418 1.00 36.87 N +ATOM 678 C4 C A 32 12.451 10.305 6.675 1.00 37.09 C +ATOM 679 C5 C A 32 13.038 9.125 6.142 1.00 35.60 C +ATOM 680 C6 C A 32 12.428 7.961 6.400 1.00 34.56 C +ATOM 681 O2 C A 32 9.680 8.945 8.356 1.00 34.90 O +ATOM 682 N4 C A 32 13.001 11.503 6.449 1.00 35.89 N +ATOM 683 C1' C A 32 10.633 6.589 7.418 1.00 37.12 C +ATOM 684 C2' C A 32 9.480 6.499 6.432 1.00 38.77 C +ATOM 685 O2' C A 32 8.391 5.774 6.998 1.00 44.03 O +ATOM 686 CM2 C A 32 7.285 6.061 7.596 1.00 45.01 C +ATOM 687 C3' C A 32 10.093 5.639 5.333 1.00 37.31 C +ATOM 688 C4' C A 32 10.976 4.683 6.125 1.00 37.40 C +ATOM 689 O4' C A 32 11.485 5.481 7.192 1.00 41.20 O +ATOM 690 O3' C A 32 9.107 4.992 4.525 0.86 37.82 O +ATOM 691 C5' C A 32 12.122 4.059 5.366 1.00 34.16 C +ATOM 692 O5' C A 32 12.681 5.049 4.477 1.00 30.92 O +ATOM 693 P C A 32 14.197 4.998 3.976 1.00 40.89 P +ATOM 694 OP1 C A 32 14.423 3.935 2.941 1.00 30.60 O +ATOM 695 OP2 C A 32 14.720 6.313 3.507 1.00 32.99 O +ATOM 696 P U A 33 9.200 5.127 2.925 0.86 37.78 P +ATOM 697 OP1 U A 33 8.581 3.930 2.263 0.86 32.75 O +ATOM 698 OP2 U A 33 10.663 5.217 2.667 0.86 34.57 O +ATOM 699 O5' U A 33 8.387 6.465 2.602 0.86 34.32 O +ATOM 700 C5' U A 33 6.975 6.359 2.295 0.70 33.58 C +ATOM 701 C4' U A 33 6.232 7.421 3.071 0.70 30.43 C +ATOM 702 O4' U A 33 7.032 7.899 4.137 0.70 31.83 O +ATOM 703 C3' U A 33 5.886 8.675 2.263 0.70 30.27 C +ATOM 704 O3' U A 33 4.730 8.529 1.438 0.69 33.13 O +ATOM 705 C2' U A 33 5.709 9.720 3.362 0.70 30.04 C +ATOM 706 O2' U A 33 4.394 9.574 3.895 0.70 25.89 O +ATOM 707 C1' U A 33 6.765 9.276 4.364 0.70 29.86 C +ATOM 708 N1 U A 33 7.951 10.125 4.121 1.00 27.37 N +ATOM 709 C2 U A 33 7.911 11.418 4.622 1.00 25.07 C +ATOM 710 O2 U A 33 6.932 11.823 5.236 1.00 22.79 O +ATOM 711 N3 U A 33 9.004 12.205 4.396 1.00 24.34 N +ATOM 712 C4 U A 33 10.093 11.761 3.717 1.00 24.68 C +ATOM 713 O4 U A 33 11.049 12.582 3.556 1.00 30.20 O +ATOM 714 C5 U A 33 10.113 10.434 3.200 1.00 22.57 C +ATOM 715 C6 U A 33 9.037 9.670 3.426 1.00 24.36 C +ATOM 716 P G A 34 4.883 7.809 0.000 0.69 39.54 P +ATOM 717 OP1 G A 34 3.857 6.713 -0.097 0.69 37.74 O +ATOM 718 OP2 G A 34 6.289 7.326 -0.016 0.69 31.79 O +ATOM 719 O5' G A 34 4.610 8.945 -1.083 0.69 33.84 O +ATOM 720 C5' G A 34 5.699 9.496 -1.891 0.79 30.14 C +ATOM 721 C4' G A 34 5.370 10.974 -1.972 0.79 28.23 C +ATOM 722 O4' G A 34 3.971 11.115 -2.101 0.79 24.42 O +ATOM 723 C3' G A 34 5.736 11.773 -0.727 0.79 29.46 C +ATOM 724 O3' G A 34 7.108 12.149 -0.711 1.00 36.37 O +ATOM 725 C2' G A 34 4.777 12.959 -0.824 0.79 26.04 C +ATOM 726 O2' G A 34 5.343 13.892 -1.729 0.79 27.05 O +ATOM 727 CM2 G A 34 4.917 14.651 -2.683 0.79 23.06 C +ATOM 728 C1' G A 34 3.554 12.307 -1.406 0.79 24.20 C +ATOM 729 N9 G A 34 2.588 11.919 -0.372 0.93 22.94 N +ATOM 730 C8 G A 34 2.225 10.637 -0.032 0.93 20.77 C +ATOM 731 N7 G A 34 1.336 10.581 0.921 0.93 23.23 N +ATOM 732 C5 G A 34 1.099 11.919 1.245 0.93 23.53 C +ATOM 733 C6 G A 34 0.240 12.526 2.198 0.93 21.69 C +ATOM 734 O6 G A 34 -0.516 11.958 2.990 0.93 20.60 O +ATOM 735 N1 G A 34 0.283 13.898 2.198 0.93 20.10 N +ATOM 736 C2 G A 34 1.086 14.606 1.374 0.93 20.29 C +ATOM 737 N2 G A 34 1.003 15.938 1.503 0.93 21.41 N +ATOM 738 N3 G A 34 1.912 14.094 0.452 0.93 16.67 N +ATOM 739 C4 G A 34 1.865 12.751 0.452 1.00 22.66 C +ATOM 740 P A A 35 7.878 12.683 0.598 1.00 42.69 P +ATOM 741 OP1 A A 35 9.204 11.992 0.727 1.00 40.46 O +ATOM 742 OP2 A A 35 6.982 12.374 1.745 1.00 32.74 O +ATOM 743 O5' A A 35 8.044 14.252 0.323 1.00 29.05 O +ATOM 744 C5' A A 35 8.411 15.050 1.471 1.00 32.39 C +ATOM 745 C4' A A 35 7.208 15.865 1.891 1.00 31.49 C +ATOM 746 O4' A A 35 5.996 15.314 1.406 1.00 32.06 O +ATOM 747 C3' A A 35 6.995 15.944 3.410 1.00 31.01 C +ATOM 748 O3' A A 35 7.878 16.883 4.041 1.00 32.13 O +ATOM 749 C2' A A 35 5.519 16.309 3.507 1.00 31.04 C +ATOM 750 O2' A A 35 5.400 17.709 3.297 1.00 33.84 O +ATOM 751 C1' A A 35 4.926 15.539 2.327 1.00 30.29 C +ATOM 752 N9 A A 35 4.287 14.325 2.845 1.00 28.33 N +ATOM 753 C8 A A 35 4.427 13.026 2.441 1.00 30.43 C +ATOM 754 N7 A A 35 3.697 12.172 3.135 1.00 29.55 N +ATOM 755 C5 A A 35 3.031 12.976 4.057 1.00 26.03 C +ATOM 756 C6 A A 35 2.102 12.661 5.075 1.00 29.14 C +ATOM 757 N6 A A 35 1.679 11.435 5.333 1.00 30.66 N +ATOM 758 N1 A A 35 1.645 13.729 5.786 1.00 29.22 N +ATOM 759 C2 A A 35 2.065 15.000 5.527 1.00 28.74 C +ATOM 760 N3 A A 35 2.935 15.359 4.590 1.00 24.86 N +ATOM 761 C4 A A 35 3.378 14.302 3.879 1.00 25.40 C +ATOM 762 P A A 36 9.124 16.337 4.913 1.00 32.39 P +ATOM 763 OP1 A A 36 9.686 17.451 5.754 1.00 27.38 O +ATOM 764 OP2 A A 36 10.080 15.877 3.879 1.00 26.17 O +ATOM 765 O5' A A 36 8.481 15.157 5.770 1.00 29.40 O +ATOM 766 C5' A A 36 8.387 15.163 7.208 1.00 29.36 C +ATOM 767 C4' A A 36 7.045 15.764 7.580 1.00 29.96 C +ATOM 768 O4' A A 36 6.016 15.247 6.740 1.00 26.55 O +ATOM 769 C3' A A 36 6.582 15.444 9.002 1.00 31.22 C +ATOM 770 O3' A A 36 7.198 16.276 9.988 1.00 34.74 O +ATOM 771 C2' A A 36 5.076 15.640 8.905 1.00 28.02 C +ATOM 772 O2' A A 36 4.807 17.035 9.002 1.00 31.89 O +ATOM 773 C1' A A 36 4.793 15.146 7.483 1.00 27.57 C +ATOM 774 N9 A A 36 4.250 13.780 7.580 1.00 28.30 N +ATOM 775 C8 A A 36 4.620 12.655 6.901 1.00 28.20 C +ATOM 776 N7 A A 36 3.921 11.593 7.224 1.00 30.17 N +ATOM 777 C5 A A 36 3.024 12.059 8.178 1.00 28.26 C +ATOM 778 C6 A A 36 2.005 11.396 8.905 1.00 32.35 C +ATOM 779 N6 A A 36 1.715 10.108 8.776 1.00 31.13 N +ATOM 780 N1 A A 36 1.309 12.189 9.778 1.00 31.00 N +ATOM 781 C2 A A 36 1.589 13.515 9.924 1.00 27.16 C +ATOM 782 N3 A A 36 2.532 14.190 9.261 1.00 28.43 N +ATOM 783 C4 A A 36 3.211 13.403 8.404 1.00 27.49 C +ATOM 784 N1 G A 37 2.585 8.422 12.186 0.67 32.84 N +ATOM 785 N2 G A 37 1.199 8.422 13.932 0.67 33.74 N +ATOM 786 C2 G A 37 2.125 9.243 13.140 0.67 32.65 C +ATOM 787 N3 G A 37 2.418 10.530 13.366 0.67 34.48 N +ATOM 788 C3 G A 37 1.862 11.233 14.400 0.67 34.99 C +ATOM 789 C4 G A 37 3.304 10.963 12.445 0.67 32.20 C +ATOM 790 C5 G A 37 3.857 10.260 11.410 0.67 32.03 C +ATOM 791 C6 G A 37 3.458 8.894 11.281 0.67 32.23 C +ATOM 792 O6 G A 37 3.887 8.124 10.392 0.67 34.22 O +ATOM 793 N7 G A 37 4.713 11.014 10.667 0.67 34.64 N +ATOM 794 C8 G A 37 4.670 12.194 11.265 0.67 33.25 C +ATOM 795 N9 G A 37 3.817 12.217 12.364 0.67 31.28 N +ATOM 796 C10 G A 37 0.453 6.044 13.786 0.67 33.29 C +ATOM 797 C11 G A 37 1.242 7.241 13.334 0.67 35.54 C +ATOM 798 C12 G A 37 2.099 7.219 12.251 0.67 35.82 C +ATOM 799 C13 G A 37 2.382 6.055 11.330 0.67 36.24 C +ATOM 800 C14 G A 37 1.612 6.297 10.053 0.67 37.78 C +ATOM 801 C15 G A 37 0.716 5.155 9.729 0.67 37.43 C +ATOM 802 C16 G A 37 -0.723 5.583 9.713 0.67 39.34 C +ATOM 803 O17 G A 37 -1.036 6.774 9.616 0.67 41.33 O +ATOM 804 O18 G A 37 -1.762 4.593 9.810 0.67 39.75 O +ATOM 805 C19 G A 37 -2.355 4.677 11.103 0.67 37.00 C +ATOM 806 N20 G A 37 1.033 4.689 8.356 0.67 37.87 N +ATOM 807 C21 G A 37 1.006 5.560 7.370 0.67 37.22 C +ATOM 808 O22 G A 37 0.486 6.668 7.499 0.67 34.82 O +ATOM 809 O23 G A 37 1.589 5.217 6.109 0.67 37.80 O +ATOM 810 C24 G A 37 0.573 5.161 5.107 0.67 38.27 C +ATOM 811 C1' G A 37 3.571 13.347 13.204 1.00 35.07 C +ATOM 812 C2' G A 37 4.427 13.234 14.465 1.00 35.84 C +ATOM 813 O2' G A 37 3.784 13.847 15.564 1.00 32.99 O +ATOM 814 C3' G A 37 5.626 14.100 14.109 1.00 36.71 C +ATOM 815 O3' G A 37 6.346 14.538 15.273 1.00 40.56 O +ATOM 816 C4' G A 37 4.977 15.213 13.285 1.00 36.00 C +ATOM 817 O4' G A 37 3.951 14.561 12.558 1.00 37.29 O +ATOM 818 C5' G A 37 5.892 15.944 12.332 1.00 32.52 C +ATOM 819 O5' G A 37 7.035 15.056 12.138 1.00 34.35 O +ATOM 820 P G A 37 8.131 15.618 11.120 1.00 45.47 P +ATOM 821 OP1 G A 37 8.964 16.675 11.782 1.00 43.57 O +ATOM 822 OP2 G A 37 8.914 14.617 10.360 1.00 39.46 O +ATOM 823 P A A 38 7.718 13.751 15.613 1.00 42.64 P +ATOM 824 OP1 A A 38 8.821 14.696 15.984 1.00 37.89 O +ATOM 825 OP2 A A 38 8.021 13.043 14.336 1.00 39.37 O +ATOM 826 O5' A A 38 7.318 12.790 16.825 1.00 32.99 O +ATOM 827 C5' A A 38 6.152 13.037 17.649 1.00 30.76 C +ATOM 828 C4' A A 38 5.330 11.761 17.617 1.00 33.37 C +ATOM 829 O4' A A 38 4.767 11.626 16.324 1.00 32.03 O +ATOM 830 C3' A A 38 6.089 10.457 17.827 1.00 33.48 C +ATOM 831 O3' A A 38 6.339 10.103 19.201 1.00 33.69 O +ATOM 832 C2' A A 38 5.166 9.445 17.148 1.00 31.61 C +ATOM 833 O2' A A 38 4.120 9.141 18.053 1.00 33.00 O +ATOM 834 C1' A A 38 4.653 10.255 15.984 1.00 30.13 C +ATOM 835 N9 A A 38 5.493 9.884 14.821 1.00 27.03 N +ATOM 836 C8 A A 38 6.402 10.659 14.158 1.00 26.03 C +ATOM 837 N7 A A 38 7.005 10.035 13.172 1.00 24.70 N +ATOM 838 C5 A A 38 6.459 8.759 13.204 1.00 26.51 C +ATOM 839 C6 A A 38 6.692 7.618 12.412 1.00 27.76 C +ATOM 840 N6 A A 38 7.558 7.584 11.410 1.00 30.99 N +ATOM 841 N1 A A 38 5.956 6.516 12.736 1.00 28.54 N +ATOM 842 C2 A A 38 5.063 6.533 13.770 1.00 30.31 C +ATOM 843 N3 A A 38 4.797 7.573 14.562 1.00 30.93 N +ATOM 844 C4 A A 38 5.530 8.652 14.223 1.00 27.66 C +ATOM 845 N1 U A 39 9.443 9.659 14.917 1.00 32.19 N +ATOM 846 C2 U A 39 10.389 9.490 13.964 1.00 31.34 C +ATOM 847 N3 U A 39 10.656 8.180 13.657 1.00 29.52 N +ATOM 848 C4 U A 39 10.070 7.061 14.223 1.00 33.42 C +ATOM 849 C5 U A 39 9.070 7.331 15.241 1.00 30.22 C +ATOM 850 C6 U A 39 8.804 8.618 15.532 1.00 32.36 C +ATOM 851 O2 U A 39 10.972 10.418 13.398 1.00 32.92 O +ATOM 852 O4 U A 39 10.369 5.920 13.899 1.00 36.50 O +ATOM 853 C1' U A 39 8.371 6.190 15.903 1.00 29.21 C +ATOM 854 C2' U A 39 9.283 5.189 16.615 1.00 32.27 C +ATOM 855 O2' U A 39 8.747 3.874 16.534 1.00 33.25 O +ATOM 856 C3' U A 39 9.204 5.633 18.069 1.00 33.21 C +ATOM 857 C4' U A 39 7.751 6.100 18.166 1.00 34.51 C +ATOM 858 O3' U A 39 9.503 4.604 19.007 1.00 34.14 O +ATOM 859 O4' U A 39 7.475 6.696 16.922 1.00 34.97 O +ATOM 860 C5' U A 39 7.481 7.089 19.297 1.00 33.91 C +ATOM 861 O5' U A 39 8.141 8.321 18.910 1.00 32.59 O +ATOM 862 P U A 39 7.841 9.698 19.621 1.00 32.28 P +ATOM 863 OP1 U A 39 7.951 9.602 21.124 1.00 37.67 O +ATOM 864 OP2 U A 39 8.651 10.834 19.087 1.00 32.24 O +ATOM 865 P C A 40 10.782 4.486 19.960 1.00 34.43 P +ATOM 866 OP1 C A 40 10.449 3.671 21.172 1.00 30.68 O +ATOM 867 OP2 C A 40 11.089 5.892 20.332 1.00 28.93 O +ATOM 868 O5' C A 40 11.885 3.778 19.039 1.00 28.81 O +ATOM 869 C5' C A 40 11.728 2.401 18.619 1.00 28.35 C +ATOM 870 C4' C A 40 12.548 2.221 17.358 1.00 29.61 C +ATOM 871 O4' C A 40 11.988 3.002 16.308 1.00 29.56 O +ATOM 872 C3' C A 40 13.997 2.687 17.439 1.00 31.68 C +ATOM 873 O3' C A 40 14.873 1.743 18.069 1.00 35.29 O +ATOM 874 C2' C A 40 14.347 2.946 15.968 1.00 27.14 C +ATOM 875 O2' C A 40 14.696 1.692 15.386 1.00 23.50 O +ATOM 876 C1' C A 40 13.024 3.469 15.435 1.00 25.42 C +ATOM 877 N1 C A 40 13.091 4.942 15.418 1.00 19.88 N +ATOM 878 C2 C A 40 13.940 5.526 14.497 1.00 20.27 C +ATOM 879 O2 C A 40 14.603 4.835 13.722 1.00 20.75 O +ATOM 880 N3 C A 40 14.010 6.893 14.465 1.00 20.93 N +ATOM 881 C4 C A 40 13.284 7.668 15.322 1.00 18.76 C +ATOM 882 N4 C A 40 13.384 9.001 15.257 1.00 17.83 N +ATOM 883 C5 C A 40 12.418 7.056 16.259 1.00 18.58 C +ATOM 884 C6 C A 40 12.358 5.718 16.275 1.00 19.25 C +ATOM 885 CM5 C A 40 11.608 7.905 17.196 1.00 21.21 C +ATOM 886 P U A 41 16.185 2.215 18.877 1.00 35.32 P +ATOM 887 OP1 U A 41 16.658 1.124 19.799 1.00 26.86 O +ATOM 888 OP2 U A 41 15.739 3.429 19.621 1.00 33.21 O +ATOM 889 O5' U A 41 17.235 2.513 17.714 1.00 26.80 O +ATOM 890 C5' U A 41 17.698 1.389 16.906 1.00 27.18 C +ATOM 891 C4' U A 41 18.850 1.934 16.081 1.00 23.05 C +ATOM 892 O4' U A 41 18.314 2.699 15.014 1.00 20.17 O +ATOM 893 C3' U A 41 19.789 2.878 16.825 1.00 24.93 C +ATOM 894 O3' U A 41 20.799 2.237 17.600 1.00 27.91 O +ATOM 895 C2' U A 41 20.382 3.682 15.661 1.00 27.05 C +ATOM 896 O2' U A 41 21.435 2.890 15.111 1.00 26.81 O +ATOM 897 C1' U A 41 19.193 3.772 14.724 1.00 23.28 C +ATOM 898 N1 U A 41 18.554 5.077 14.966 1.00 24.30 N +ATOM 899 C2 U A 41 19.077 6.179 14.303 1.00 28.89 C +ATOM 900 O2 U A 41 20.033 6.055 13.544 1.00 29.05 O +ATOM 901 N3 U A 41 18.487 7.393 14.546 1.00 24.96 N +ATOM 902 C4 U A 41 17.428 7.528 15.386 1.00 22.40 C +ATOM 903 O4 U A 41 16.958 8.697 15.532 1.00 24.28 O +ATOM 904 C5 U A 41 16.908 6.387 16.065 1.00 22.17 C +ATOM 905 C6 U A 41 17.498 5.206 15.823 1.00 23.91 C +ATOM 906 P G A 42 21.595 3.036 18.764 1.00 31.63 P +ATOM 907 OP1 G A 42 22.384 2.075 19.604 1.00 28.12 O +ATOM 908 OP2 G A 42 20.516 3.699 19.556 1.00 22.68 O +ATOM 909 O5' G A 42 22.551 4.031 17.972 1.00 19.53 O +ATOM 910 C5' G A 42 23.583 3.519 17.099 1.00 19.97 C +ATOM 911 C4' G A 42 24.146 4.717 16.356 1.00 22.10 C +ATOM 912 O4' G A 42 23.084 5.375 15.661 1.00 26.60 O +ATOM 913 C3' G A 42 24.776 5.807 17.212 1.00 19.91 C +ATOM 914 O3' G A 42 26.128 5.560 17.617 1.00 20.68 O +ATOM 915 C2' G A 42 24.659 7.028 16.291 1.00 21.26 C +ATOM 916 O2' G A 42 25.732 6.966 15.370 1.00 21.51 O +ATOM 917 C1' G A 42 23.337 6.774 15.596 1.00 23.91 C +ATOM 918 N9 G A 42 22.324 7.578 16.308 1.00 18.48 N +ATOM 919 C8 G A 42 21.332 7.129 17.148 1.00 18.18 C +ATOM 920 N7 G A 42 20.586 8.084 17.633 1.00 18.52 N +ATOM 921 C5 G A 42 21.125 9.243 17.099 1.00 16.12 C +ATOM 922 C6 G A 42 20.759 10.609 17.245 1.00 16.98 C +ATOM 923 O6 G A 42 19.836 11.059 17.924 1.00 18.24 O +ATOM 924 N1 G A 42 21.542 11.480 16.534 1.00 16.87 N +ATOM 925 C2 G A 42 22.577 11.070 15.758 1.00 17.61 C +ATOM 926 N2 G A 42 23.234 12.059 15.128 1.00 17.39 N +ATOM 927 N3 G A 42 22.964 9.805 15.580 1.00 18.80 N +ATOM 928 C4 G A 42 22.194 8.945 16.275 1.00 17.14 C +ATOM 929 P G A 43 26.715 6.263 18.958 1.00 25.50 P +ATOM 930 OP1 G A 43 27.960 5.577 19.427 1.00 18.73 O +ATOM 931 OP2 G A 43 25.605 6.100 19.944 1.00 18.55 O +ATOM 932 O5' G A 43 27.021 7.758 18.506 1.00 23.39 O +ATOM 933 C5' G A 43 27.791 8.073 17.309 1.00 22.77 C +ATOM 934 C4' G A 43 27.774 9.585 17.164 1.00 21.17 C +ATOM 935 O4' G A 43 26.495 10.007 16.695 1.00 22.41 O +ATOM 936 C3' G A 43 27.980 10.361 18.457 1.00 19.66 C +ATOM 937 O3' G A 43 29.349 10.502 18.861 1.00 20.78 O +ATOM 938 C2' G A 43 27.337 11.705 18.118 1.00 18.90 C +ATOM 939 O2' G A 43 28.310 12.430 17.374 1.00 23.35 O +ATOM 940 C1' G A 43 26.178 11.278 17.245 1.00 17.39 C +ATOM 941 N9 G A 43 24.993 11.227 18.118 1.00 14.19 N +ATOM 942 C8 G A 43 24.486 10.108 18.732 1.00 14.07 C +ATOM 943 N7 G A 43 23.427 10.339 19.459 1.00 14.63 N +ATOM 944 C5 G A 43 23.220 11.711 19.314 1.00 13.86 C +ATOM 945 C6 G A 43 22.231 12.571 19.847 1.00 17.13 C +ATOM 946 O6 G A 43 21.298 12.250 20.607 1.00 19.62 O +ATOM 947 N1 G A 43 22.354 13.881 19.475 1.00 12.99 N +ATOM 948 C2 G A 43 23.344 14.314 18.651 1.00 12.94 C +ATOM 949 N2 G A 43 23.314 15.629 18.376 1.00 14.10 N +ATOM 950 N3 G A 43 24.296 13.549 18.118 1.00 14.82 N +ATOM 951 C4 G A 43 24.176 12.262 18.489 1.00 12.94 C +ATOM 952 P A A 44 29.649 10.783 20.429 1.00 28.67 P +ATOM 953 OP1 A A 44 30.902 10.097 20.881 1.00 27.63 O +ATOM 954 OP2 A A 44 28.460 10.193 21.124 1.00 25.89 O +ATOM 955 O5' A A 44 29.749 12.363 20.526 1.00 21.80 O +ATOM 956 C5' A A 44 30.465 13.195 19.572 1.00 18.26 C +ATOM 957 C4' A A 44 29.886 14.595 19.685 1.00 17.95 C +ATOM 958 O4' A A 44 28.517 14.538 19.297 1.00 14.43 O +ATOM 959 C3' A A 44 29.872 15.213 21.075 1.00 20.30 C +ATOM 960 O3' A A 44 31.111 15.815 21.479 1.00 24.13 O +ATOM 961 C2' A A 44 28.736 16.231 20.946 1.00 15.67 C +ATOM 962 O2' A A 44 29.266 17.389 20.316 1.00 20.20 O +ATOM 963 C1' A A 44 27.777 15.505 20.041 1.00 13.70 C +ATOM 964 N9 A A 44 26.755 14.859 20.865 1.00 14.55 N +ATOM 965 C8 A A 44 26.731 13.560 21.318 1.00 13.46 C +ATOM 966 N7 A A 44 25.689 13.268 22.045 1.00 13.16 N +ATOM 967 C5 A A 44 24.972 14.460 22.094 1.00 12.41 C +ATOM 968 C6 A A 44 23.753 14.797 22.724 1.00 13.52 C +ATOM 969 N6 A A 44 23.034 13.954 23.451 1.00 11.26 N +ATOM 970 N1 A A 44 23.354 16.096 22.546 1.00 15.70 N +ATOM 971 C2 A A 44 24.083 16.978 21.802 1.00 15.78 C +ATOM 972 N3 A A 44 25.236 16.725 21.188 1.00 13.28 N +ATOM 973 C4 A A 44 25.619 15.444 21.366 1.00 15.37 C +ATOM 974 P G A 45 31.541 15.938 23.031 1.00 21.79 P +ATOM 975 OP1 G A 45 32.670 16.911 23.209 1.00 23.16 O +ATOM 976 OP2 G A 45 31.928 14.544 23.386 1.00 18.86 O +ATOM 977 O5' G A 45 30.226 16.489 23.742 1.00 25.81 O +ATOM 978 C5' G A 45 29.699 17.782 23.306 1.00 26.80 C +ATOM 979 C4' G A 45 28.610 18.120 24.308 1.00 23.63 C +ATOM 980 O4' G A 45 27.457 17.361 24.033 1.00 23.89 O +ATOM 981 C3' G A 45 28.970 17.765 25.746 1.00 21.22 C +ATOM 982 O3' G A 45 29.766 18.783 26.344 1.00 24.50 O +ATOM 983 C2' G A 45 27.601 17.619 26.409 1.00 19.23 C +ATOM 984 O2' G A 45 27.148 18.935 26.716 1.00 21.32 O +ATOM 985 C1' G A 45 26.791 17.018 25.277 1.00 19.47 C +ATOM 986 N9 G A 45 26.645 15.556 25.342 1.00 17.65 N +ATOM 987 C8 G A 45 27.471 14.561 24.889 1.00 15.36 C +ATOM 988 N7 G A 45 27.008 13.352 25.083 1.00 12.76 N +ATOM 989 C5 G A 45 25.779 13.566 25.698 1.00 15.59 C +ATOM 990 C6 G A 45 24.786 12.661 26.166 1.00 17.46 C +ATOM 991 O6 G A 45 24.803 11.424 26.118 1.00 18.92 O +ATOM 992 N1 G A 45 23.690 13.268 26.748 1.00 15.79 N +ATOM 993 C2 G A 45 23.570 14.617 26.845 1.00 11.32 C +ATOM 994 N2 G A 45 22.444 15.056 27.427 1.00 9.86 N +ATOM 995 N3 G A 45 24.463 15.511 26.409 1.00 14.42 N +ATOM 996 C4 G A 45 25.539 14.910 25.859 1.00 17.21 C +ATOM 997 P G A 46 30.895 18.485 27.411 1.00 24.75 P +ATOM 998 OP1 G A 46 32.028 19.463 27.362 1.00 34.31 O +ATOM 999 OP2 G A 46 31.345 17.102 27.087 1.00 36.12 O +ATOM 1000 O5' G A 46 30.142 18.598 28.817 1.00 16.31 O +ATOM 1001 C5' G A 46 31.132 18.446 29.867 1.00 20.52 C +ATOM 1002 C4' G A 46 30.429 18.429 31.193 1.00 15.75 C +ATOM 1003 O4' G A 46 29.563 17.316 31.290 1.00 13.39 O +ATOM 1004 C3' G A 46 31.461 18.322 32.340 1.00 13.44 C +ATOM 1005 O3' G A 46 31.045 19.171 33.439 1.00 19.39 O +ATOM 1006 C2' G A 46 31.401 16.827 32.647 1.00 10.98 C +ATOM 1007 O2' G A 46 31.858 16.624 33.956 1.00 18.01 O +ATOM 1008 C1' G A 46 29.962 16.495 32.421 1.00 13.21 C +ATOM 1009 N9 G A 46 29.772 15.073 32.082 1.00 11.97 N +ATOM 1010 C8 G A 46 30.642 14.269 31.403 1.00 13.63 C +ATOM 1011 N7 G A 46 30.215 13.043 31.241 1.00 11.58 N +ATOM 1012 C5 G A 46 28.980 13.032 31.872 1.00 11.10 C +ATOM 1013 C6 G A 46 28.020 11.997 32.049 1.00 7.57 C +ATOM 1014 O6 G A 46 28.080 10.828 31.661 1.00 5.90 O +ATOM 1015 N1 G A 46 26.898 12.380 32.744 1.00 8.38 N +ATOM 1016 C2 G A 46 26.731 13.645 33.213 1.00 13.83 C +ATOM 1017 N2 G A 46 25.579 13.858 33.859 1.00 18.21 N +ATOM 1018 N3 G A 46 27.594 14.651 33.068 1.00 15.33 N +ATOM 1019 C4 G A 46 28.697 14.274 32.389 1.00 11.80 C +ATOM 1020 CM7 G A 46 30.862 11.936 30.579 1.00 11.28 C +ATOM 1021 P U A 47 31.328 20.762 33.229 1.00 16.71 P +ATOM 1022 OP1 U A 47 30.072 21.549 33.423 1.00 16.42 O +ATOM 1023 OP2 U A 47 31.851 20.835 31.839 1.00 9.53 O +ATOM 1024 O5' U A 47 32.431 21.066 34.344 1.00 21.56 O +ATOM 1025 C5' U A 47 33.773 20.593 34.053 1.00 22.87 C +ATOM 1026 C4' U A 47 34.399 20.166 35.362 1.00 23.82 C +ATOM 1027 O4' U A 47 34.932 21.319 36.009 1.00 28.37 O +ATOM 1028 C3' U A 47 33.427 19.531 36.364 1.00 20.32 C +ATOM 1029 O3' U A 47 34.109 18.508 37.108 1.00 17.51 O +ATOM 1030 C2' U A 47 33.057 20.695 37.253 1.00 24.77 C +ATOM 1031 O2' U A 47 32.611 20.245 38.498 1.00 28.72 O +ATOM 1032 C1' U A 47 34.356 21.448 37.318 1.00 28.41 C +ATOM 1033 N1 U A 47 34.119 22.853 37.690 1.00 34.31 N +ATOM 1034 C2 U A 47 34.986 23.410 38.611 1.00 36.46 C +ATOM 1035 O2 U A 47 35.898 22.741 39.096 1.00 33.40 O +ATOM 1036 N3 U A 47 34.782 24.714 38.967 1.00 37.41 N +ATOM 1037 C4 U A 47 33.770 25.462 38.433 1.00 37.38 C +ATOM 1038 O4 U A 47 33.673 26.660 38.821 1.00 40.42 O +ATOM 1039 C5 U A 47 32.890 24.872 37.480 1.00 35.84 C +ATOM 1040 C6 U A 47 33.104 23.590 37.140 1.00 33.82 C +ATOM 1041 P C A 48 33.403 17.136 37.528 1.00 12.71 P +ATOM 1042 OP1 C A 48 34.429 16.231 38.142 1.00 13.81 O +ATOM 1043 OP2 C A 48 32.850 16.624 36.251 1.00 4.91 O +ATOM 1044 O5' C A 48 32.284 17.558 38.579 1.00 9.32 O +ATOM 1045 C5' C A 48 32.031 16.714 39.726 1.00 8.64 C +ATOM 1046 C4' C A 48 30.552 16.371 39.710 1.00 5.36 C +ATOM 1047 O4' C A 48 30.302 15.320 38.805 1.00 8.35 O +ATOM 1048 C3' C A 48 30.049 15.893 41.084 1.00 1.59 C +ATOM 1049 O3' C A 48 28.713 16.371 41.326 1.00 0.00 O +ATOM 1050 C2' C A 48 30.082 14.375 40.922 1.00 4.65 C +ATOM 1051 O2' C A 48 29.203 13.780 41.811 1.00 8.42 O +ATOM 1052 C1' C A 48 29.696 14.212 39.468 1.00 7.30 C +ATOM 1053 N1 C A 48 30.179 12.908 38.999 1.00 6.93 N +ATOM 1054 C2 C A 48 29.346 11.812 39.144 1.00 7.42 C +ATOM 1055 O2 C A 48 28.234 11.919 39.645 1.00 8.37 O +ATOM 1056 N3 C A 48 29.802 10.597 38.708 1.00 10.80 N +ATOM 1057 C4 C A 48 31.032 10.446 38.142 1.00 9.85 C +ATOM 1058 N4 C A 48 31.411 9.226 37.738 1.00 10.53 N +ATOM 1059 C5 C A 48 31.881 11.570 37.997 1.00 8.70 C +ATOM 1060 C6 C A 48 31.418 12.751 38.433 1.00 7.80 C +ATOM 1061 P C A 49 28.367 17.091 42.716 1.00 0.00 P +ATOM 1062 OP1 C A 49 28.883 16.382 43.928 1.00 0.00 O +ATOM 1063 OP2 C A 49 26.878 17.074 42.668 1.00 10.83 O +ATOM 1064 O5' C A 49 29.046 18.513 42.603 1.00 8.20 O +ATOM 1065 C5' C A 49 28.560 19.531 41.682 1.00 5.64 C +ATOM 1066 C4' C A 49 29.036 20.852 42.264 1.00 5.09 C +ATOM 1067 O4' C A 49 28.224 21.223 43.363 1.00 4.65 O +ATOM 1068 C3' C A 49 30.452 20.835 42.829 1.00 8.88 C +ATOM 1069 O3' C A 49 31.471 20.953 41.827 1.00 11.57 O +ATOM 1070 C2' C A 49 30.422 22.010 43.799 1.00 7.00 C +ATOM 1071 O2' C A 49 30.599 23.196 43.023 1.00 10.65 O +ATOM 1072 C1' C A 49 29.010 21.931 44.332 1.00 2.41 C +ATOM 1073 N1 C A 49 29.013 21.274 45.658 1.00 0.00 N +ATOM 1074 C2 C A 49 29.529 22.021 46.708 1.00 3.14 C +ATOM 1075 O2 C A 49 29.956 23.163 46.530 1.00 1.70 O +ATOM 1076 N3 C A 49 29.549 21.448 47.953 1.00 4.30 N +ATOM 1077 C4 C A 49 29.086 20.189 48.163 1.00 0.00 C +ATOM 1078 N4 C A 49 29.130 19.671 49.391 1.00 0.00 N +ATOM 1079 C5 C A 49 28.563 19.441 47.080 1.00 0.00 C +ATOM 1080 C6 C A 49 28.550 20.014 45.868 1.00 0.00 C +ATOM 1081 CM5 C A 49 28.047 18.047 47.322 1.00 2.17 C +ATOM 1082 P U A 50 32.904 20.267 42.134 1.00 0.00 P +ATOM 1083 OP1 U A 50 33.660 20.144 40.857 1.00 13.35 O +ATOM 1084 OP2 U A 50 32.534 18.963 42.749 1.00 10.49 O +ATOM 1085 O5' U A 50 33.576 21.268 43.169 1.00 7.33 O +ATOM 1086 C5' U A 50 33.583 22.707 42.942 1.00 4.60 C +ATOM 1087 C4' U A 50 34.376 23.303 44.090 1.00 0.00 C +ATOM 1088 O4' U A 50 33.540 23.489 45.205 1.00 1.82 O +ATOM 1089 C3' U A 50 35.508 22.404 44.607 1.00 4.48 C +ATOM 1090 O3' U A 50 36.658 22.488 43.783 1.00 3.57 O +ATOM 1091 C2' U A 50 35.695 22.932 46.029 1.00 1.05 C +ATOM 1092 O2' U A 50 36.504 24.096 45.949 1.00 8.34 O +ATOM 1093 C1' U A 50 34.276 23.281 46.417 1.00 0.00 C +ATOM 1094 N1 U A 50 33.656 22.184 47.177 1.00 0.00 N +ATOM 1095 C2 U A 50 33.830 22.151 48.551 1.00 3.12 C +ATOM 1096 O2 U A 50 34.489 23.017 49.116 1.00 5.90 O +ATOM 1097 N3 U A 50 33.250 21.122 49.229 1.00 0.00 N +ATOM 1098 C4 U A 50 32.521 20.155 48.615 1.00 0.00 C +ATOM 1099 O4 U A 50 32.018 19.244 49.343 1.00 4.06 O +ATOM 1100 C5 U A 50 32.347 20.205 47.193 1.00 0.00 C +ATOM 1101 C6 U A 50 32.924 21.217 46.547 1.00 0.00 C +ATOM 1102 P G A 51 38.133 21.948 44.042 1.00 0.00 P +ATOM 1103 OP1 G A 51 39.093 22.600 43.104 1.00 9.19 O +ATOM 1104 OP2 G A 51 38.007 20.498 43.767 1.00 8.40 O +ATOM 1105 O5' G A 51 38.456 22.297 45.577 1.00 0.39 O +ATOM 1106 C5' G A 51 39.552 23.163 45.916 1.00 0.51 C +ATOM 1107 C4' G A 51 39.842 23.022 47.403 1.00 0.23 C +ATOM 1108 O4' G A 51 38.630 22.955 48.147 1.00 3.84 O +ATOM 1109 C3' G A 51 40.602 21.751 47.791 1.00 4.20 C +ATOM 1110 O3' G A 51 42.001 21.864 47.581 1.00 12.57 O +ATOM 1111 C2' G A 51 40.229 21.605 49.278 1.00 6.01 C +ATOM 1112 O2' G A 51 41.078 22.471 50.005 1.00 9.05 O +ATOM 1113 C1' G A 51 38.793 22.106 49.294 1.00 7.48 C +ATOM 1114 N9 G A 51 37.820 20.993 49.294 1.00 11.98 N +ATOM 1115 C8 G A 51 37.204 20.391 48.227 1.00 8.25 C +ATOM 1116 N7 G A 51 36.378 19.430 48.551 1.00 4.30 N +ATOM 1117 C5 G A 51 36.451 19.402 49.941 1.00 0.00 C +ATOM 1118 C6 G A 51 35.795 18.581 50.894 1.00 4.48 C +ATOM 1119 O6 G A 51 34.975 17.681 50.684 1.00 7.97 O +ATOM 1120 N1 G A 51 36.128 18.851 52.203 1.00 3.73 N +ATOM 1121 C2 G A 51 37.014 19.823 52.543 1.00 4.10 C +ATOM 1122 N2 G A 51 37.231 19.964 53.868 1.00 6.12 N +ATOM 1123 N3 G A 51 37.660 20.622 51.686 1.00 6.39 N +ATOM 1124 C4 G A 51 37.331 20.352 50.409 1.00 4.38 C +ATOM 1125 P U A 52 43.056 20.689 47.322 1.00 12.37 P +ATOM 1126 OP1 U A 52 44.372 21.217 46.854 1.00 16.93 O +ATOM 1127 OP2 U A 52 42.427 19.834 46.288 1.00 17.95 O +ATOM 1128 O5' U A 52 43.193 20.037 48.777 1.00 7.70 O +ATOM 1129 C5' U A 52 43.709 20.914 49.811 1.00 8.29 C +ATOM 1130 C4' U A 52 43.466 20.250 51.137 1.00 7.91 C +ATOM 1131 O4' U A 52 42.070 20.256 51.428 1.00 14.10 O +ATOM 1132 C3' U A 52 43.859 18.778 51.234 1.00 7.92 C +ATOM 1133 O3' U A 52 45.258 18.553 51.444 1.00 11.59 O +ATOM 1134 C2' U A 52 42.983 18.305 52.397 1.00 5.26 C +ATOM 1135 O2' U A 52 43.656 18.710 53.577 1.00 0.00 O +ATOM 1136 C1' U A 52 41.721 19.092 52.187 1.00 7.18 C +ATOM 1137 N1 U A 52 40.735 18.260 51.476 1.00 1.28 N +ATOM 1138 C2 U A 52 40.072 17.288 52.203 1.00 1.93 C +ATOM 1139 O2 U A 52 40.298 17.125 53.399 1.00 1.97 O +ATOM 1140 N3 U A 52 39.159 16.512 51.541 1.00 1.62 N +ATOM 1141 C4 U A 52 38.893 16.669 50.215 1.00 6.76 C +ATOM 1142 O4 U A 52 38.033 15.910 49.682 1.00 3.70 O +ATOM 1143 C5 U A 52 39.589 17.681 49.488 1.00 5.38 C +ATOM 1144 C6 U A 52 40.478 18.434 50.151 1.00 0.00 C +ATOM 1145 P G A 53 45.921 17.231 50.781 1.00 17.98 P +ATOM 1146 OP1 G A 53 47.417 17.333 50.846 1.00 26.93 O +ATOM 1147 OP2 G A 53 45.422 17.226 49.391 1.00 17.10 O +ATOM 1148 O5' G A 53 45.375 16.017 51.654 1.00 7.43 O +ATOM 1149 C5' G A 53 46.124 15.623 52.850 1.00 7.82 C +ATOM 1150 C4' G A 53 45.138 14.994 53.803 1.00 9.56 C +ATOM 1151 O4' G A 53 43.843 15.539 53.593 1.00 8.28 O +ATOM 1152 C3' G A 53 44.945 13.487 53.658 1.00 7.57 C +ATOM 1153 O3' G A 53 45.948 12.694 54.288 1.00 10.26 O +ATOM 1154 C2' G A 53 43.563 13.296 54.288 1.00 0.85 C +ATOM 1155 O2' G A 53 43.789 13.257 55.694 1.00 0.00 O +ATOM 1156 C1' G A 53 42.847 14.555 53.852 1.00 0.58 C +ATOM 1157 N9 G A 53 42.050 14.263 52.656 1.00 0.32 N +ATOM 1158 C8 G A 53 42.164 14.831 51.411 1.00 4.73 C +ATOM 1159 N7 G A 53 41.311 14.359 50.539 1.00 5.02 N +ATOM 1160 C5 G A 53 40.588 13.408 51.250 1.00 1.44 C +ATOM 1161 C6 G A 53 39.522 12.554 50.862 1.00 0.00 C +ATOM 1162 O6 G A 53 38.993 12.470 49.747 1.00 1.53 O +ATOM 1163 N1 G A 53 39.059 11.744 51.880 1.00 0.04 N +ATOM 1164 C2 G A 53 39.579 11.767 53.125 1.00 0.66 C +ATOM 1165 N2 G A 53 39.019 10.912 53.997 1.00 0.50 N +ATOM 1166 N3 G A 53 40.578 12.548 53.545 1.00 2.56 N +ATOM 1167 C4 G A 53 41.031 13.341 52.559 1.00 1.75 C +ATOM 1168 N1 U A 54 41.857 8.978 52.284 1.00 0.00 N +ATOM 1169 C2 U A 54 40.798 8.439 51.573 1.00 0.00 C +ATOM 1170 N3 U A 54 40.625 8.860 50.280 1.00 0.00 N +ATOM 1171 C4 U A 54 41.444 9.777 49.698 1.00 0.00 C +ATOM 1172 C5 U A 54 42.523 10.316 50.458 1.00 0.00 C +ATOM 1173 C5M U A 54 43.446 11.328 49.844 1.00 0.00 C +ATOM 1174 C6 U A 54 42.687 9.895 51.718 1.00 0.00 C +ATOM 1175 O2 U A 54 40.042 7.612 52.074 1.00 0.71 O +ATOM 1176 O4 U A 54 41.194 10.103 48.502 1.00 0.00 O +ATOM 1177 C1' U A 54 42.014 8.500 53.674 1.00 3.38 C +ATOM 1178 C2' U A 54 42.910 7.280 53.706 1.00 5.21 C +ATOM 1179 O2' U A 54 42.580 6.364 54.741 1.00 4.00 O +ATOM 1180 C3' U A 54 44.249 7.899 54.110 1.00 8.98 C +ATOM 1181 C4' U A 54 43.819 9.001 55.064 1.00 7.57 C +ATOM 1182 O3' U A 54 45.135 6.949 54.692 1.00 6.80 O +ATOM 1183 O4' U A 54 42.613 9.495 54.514 1.00 7.24 O +ATOM 1184 C5' U A 54 44.835 10.120 55.209 1.00 2.64 C +ATOM 1185 O5' U A 54 45.342 10.288 53.852 1.00 0.43 O +ATOM 1186 P U A 54 46.487 11.345 53.577 1.00 5.60 P +ATOM 1187 OP1 U A 54 47.793 10.940 54.191 1.00 8.01 O +ATOM 1188 OP2 U A 54 46.634 11.750 52.155 1.00 0.00 O +ATOM 1189 N1 U A 55 44.782 8.191 49.391 1.00 0.00 N +ATOM 1190 C2 U A 55 44.459 8.703 48.179 1.00 0.00 C +ATOM 1191 N3 U A 55 43.649 7.893 47.436 1.00 1.25 N +ATOM 1192 C4 U A 55 43.150 6.651 47.791 1.00 0.00 C +ATOM 1193 C5 U A 55 43.546 6.184 49.100 1.00 0.00 C +ATOM 1194 C6 U A 55 44.346 6.977 49.827 1.00 3.80 C +ATOM 1195 O2 U A 55 44.852 9.793 47.775 1.00 0.98 O +ATOM 1196 O4 U A 55 42.430 5.987 47.064 1.00 5.16 O +ATOM 1197 C1' U A 55 43.063 4.852 49.569 1.00 1.54 C +ATOM 1198 C2' U A 55 43.886 3.716 48.987 1.00 0.00 C +ATOM 1199 O2' U A 55 43.086 2.558 48.809 1.00 0.00 O +ATOM 1200 C3' U A 55 44.862 3.446 50.134 1.00 0.13 C +ATOM 1201 C4' U A 55 43.989 3.694 51.363 1.00 0.00 C +ATOM 1202 O3' U A 55 45.428 2.136 50.118 1.00 7.95 O +ATOM 1203 O4' U A 55 43.163 4.779 50.991 1.00 4.08 O +ATOM 1204 C5' U A 55 44.765 4.031 52.607 1.00 2.64 C +ATOM 1205 O5' U A 55 44.938 5.470 52.656 1.00 1.06 O +ATOM 1206 P U A 55 46.011 6.027 53.706 1.00 10.33 P +ATOM 1207 OP1 U A 55 46.671 4.976 54.547 1.00 11.01 O +ATOM 1208 OP2 U A 55 46.980 6.932 53.044 1.00 1.86 O +ATOM 1209 P C A 56 47.040 2.058 49.941 1.00 1.09 P +ATOM 1210 OP1 C A 56 47.607 0.900 50.700 1.00 10.69 O +ATOM 1211 OP2 C A 56 47.507 3.345 50.506 1.00 11.24 O +ATOM 1212 O5' C A 56 47.177 1.951 48.373 1.00 0.00 O +ATOM 1213 C5' C A 56 48.156 2.789 47.710 1.00 0.00 C +ATOM 1214 C4' C A 56 47.963 2.502 46.239 1.00 0.00 C +ATOM 1215 O4' C A 56 47.670 1.136 46.046 1.00 0.00 O +ATOM 1216 C3' C A 56 46.787 3.250 45.609 1.00 4.26 C +ATOM 1217 O3' C A 56 47.114 4.610 45.302 1.00 6.56 O +ATOM 1218 C2' C A 56 46.481 2.378 44.397 1.00 0.33 C +ATOM 1219 O2' C A 56 47.410 2.710 43.363 1.00 8.88 O +ATOM 1220 C1' C A 56 46.771 0.989 44.930 1.00 0.00 C +ATOM 1221 N1 C A 56 45.511 0.337 45.334 1.00 0.00 N +ATOM 1222 C2 C A 56 44.635 0.000 44.316 1.00 0.00 C +ATOM 1223 O2 C A 56 44.905 0.247 43.153 1.00 0.00 O +ATOM 1224 N3 C A 56 43.466 -0.613 44.656 1.00 0.00 N +ATOM 1225 C4 C A 56 43.150 -0.894 45.949 1.00 0.00 C +ATOM 1226 N4 C A 56 41.981 -1.495 46.207 1.00 0.57 N +ATOM 1227 C5 C A 56 44.056 -0.545 46.983 1.00 0.00 C +ATOM 1228 C6 C A 56 45.202 0.056 46.644 1.00 0.00 C +ATOM 1229 P G A 57 46.184 5.847 45.755 1.00 0.00 P +ATOM 1230 OP1 G A 57 46.887 7.134 45.447 1.00 10.63 O +ATOM 1231 OP2 G A 57 45.994 5.689 47.225 1.00 0.00 O +ATOM 1232 O5' G A 57 44.909 5.661 44.817 1.00 0.00 O +ATOM 1233 C5' G A 57 45.092 5.898 43.395 1.00 0.00 C +ATOM 1234 C4' G A 57 43.859 5.346 42.716 1.00 3.53 C +ATOM 1235 O4' G A 57 43.733 3.964 42.975 1.00 5.63 O +ATOM 1236 C3' G A 57 42.530 5.931 43.185 1.00 3.57 C +ATOM 1237 O3' G A 57 42.250 7.202 42.571 1.00 3.71 O +ATOM 1238 C2' G A 57 41.538 4.846 42.781 1.00 0.64 C +ATOM 1239 O2' G A 57 41.261 4.970 41.391 1.00 2.20 O +ATOM 1240 C1' G A 57 42.344 3.592 43.039 1.00 0.00 C +ATOM 1241 N9 G A 57 41.997 2.974 44.332 1.00 0.00 N +ATOM 1242 C8 G A 57 42.697 2.935 45.496 1.00 0.00 C +ATOM 1243 N7 G A 57 42.087 2.277 46.466 1.00 0.00 N +ATOM 1244 C5 G A 57 40.898 1.844 45.868 1.00 0.00 C +ATOM 1245 C6 G A 57 39.812 1.085 46.369 1.00 0.00 C +ATOM 1246 O6 G A 57 39.679 0.618 47.516 1.00 0.00 O +ATOM 1247 N1 G A 57 38.806 0.866 45.480 1.00 0.00 N +ATOM 1248 C2 G A 57 38.853 1.332 44.203 1.00 0.00 C +ATOM 1249 N2 G A 57 37.797 1.040 43.411 1.00 0.00 N +ATOM 1250 N3 G A 57 39.845 2.046 43.670 1.00 0.00 N +ATOM 1251 C4 G A 57 40.835 2.266 44.559 1.00 0.00 C +ATOM 1252 P A A 58 41.821 8.388 43.589 1.00 0.00 P +ATOM 1253 OP1 A A 58 42.247 9.692 42.991 1.00 0.42 O +ATOM 1254 OP2 A A 58 42.540 8.045 44.833 1.00 0.00 O +ATOM 1255 O5' A A 58 40.255 8.203 43.734 1.00 0.00 O +ATOM 1256 C5' A A 58 39.449 7.657 42.684 1.00 0.00 C +ATOM 1257 C4' A A 58 38.010 8.045 42.991 1.00 0.08 C +ATOM 1258 O4' A A 58 37.560 7.314 44.122 1.00 0.00 O +ATOM 1259 C3' A A 58 37.804 9.529 43.314 1.00 0.00 C +ATOM 1260 O3' A A 58 36.528 10.007 42.862 1.00 1.72 O +ATOM 1261 C2' A A 58 37.793 9.529 44.849 1.00 0.88 C +ATOM 1262 O2' A A 58 37.127 10.659 45.318 1.00 0.00 O +ATOM 1263 C1' A A 58 37.101 8.225 45.140 1.00 0.00 C +ATOM 1264 N9 A A 58 37.404 7.792 46.514 1.00 0.00 N +ATOM 1265 C8 A A 58 38.500 8.039 47.274 1.00 0.00 C +ATOM 1266 N7 A A 58 38.440 7.505 48.470 1.00 0.31 N +ATOM 1267 C5 A A 58 37.207 6.859 48.486 1.00 0.00 C +ATOM 1268 C6 A A 58 36.558 6.100 49.488 1.00 0.00 C +ATOM 1269 N6 A A 58 37.064 5.852 50.684 1.00 0.00 N +ATOM 1270 N1 A A 58 35.332 5.616 49.132 1.00 0.00 N +ATOM 1271 CM1 A A 58 34.606 4.829 50.102 1.00 0.00 C +ATOM 1272 C2 A A 58 34.789 5.852 47.920 1.00 0.00 C +ATOM 1273 N3 A A 58 35.342 6.555 46.934 1.00 0.00 N +ATOM 1274 C4 A A 58 36.554 7.033 47.290 1.00 0.00 C +ATOM 1275 P U A 59 36.041 9.968 41.342 1.00 19.38 P +ATOM 1276 OP1 U A 59 36.288 8.652 40.680 1.00 21.40 O +ATOM 1277 OP2 U A 59 36.818 11.064 40.696 1.00 20.54 O +ATOM 1278 O5' U A 59 34.476 10.294 41.456 1.00 13.10 O +ATOM 1279 C5' U A 59 34.109 11.699 41.536 1.00 12.06 C +ATOM 1280 C4' U A 59 32.810 11.761 42.312 1.00 9.41 C +ATOM 1281 O4' U A 59 31.724 11.351 41.504 1.00 11.15 O +ATOM 1282 C3' U A 59 32.767 10.822 43.524 1.00 7.99 C +ATOM 1283 O3' U A 59 33.460 11.379 44.623 1.00 3.26 O +ATOM 1284 C2' U A 59 31.265 10.659 43.718 1.00 5.68 C +ATOM 1285 O2' U A 59 30.832 11.812 44.429 1.00 6.83 O +ATOM 1286 C1' U A 59 30.742 10.670 42.296 1.00 8.66 C +ATOM 1287 N1 U A 59 30.492 9.304 41.811 1.00 9.07 N +ATOM 1288 C2 U A 59 29.396 8.647 42.344 1.00 13.23 C +ATOM 1289 O2 U A 59 28.683 9.186 43.201 1.00 15.49 O +ATOM 1290 N3 U A 59 29.130 7.382 41.908 1.00 17.81 N +ATOM 1291 C4 U A 59 29.906 6.758 40.987 1.00 16.30 C +ATOM 1292 O4 U A 59 29.563 5.577 40.647 1.00 16.87 O +ATOM 1293 C5 U A 59 31.025 7.449 40.437 1.00 11.35 C +ATOM 1294 C6 U A 59 31.268 8.692 40.874 1.00 10.61 C +ATOM 1295 P C A 60 33.340 11.098 46.175 1.00 0.00 P +ATOM 1296 OP1 C A 60 33.413 12.396 46.934 1.00 3.78 O +ATOM 1297 OP2 C A 60 34.513 10.232 46.466 1.00 7.82 O +ATOM 1298 O5' C A 60 31.981 10.339 46.482 1.00 0.00 O +ATOM 1299 C5' C A 60 31.851 9.990 47.888 1.00 0.00 C +ATOM 1300 C4' C A 60 30.845 8.866 48.001 1.00 0.00 C +ATOM 1301 O4' C A 60 30.609 8.292 46.724 1.00 1.74 O +ATOM 1302 C3' C A 60 31.328 7.719 48.906 1.00 0.00 C +ATOM 1303 O3' C A 60 30.226 7.196 49.666 1.00 0.00 O +ATOM 1304 C2' C A 60 31.858 6.718 47.888 1.00 0.00 C +ATOM 1305 O2' C A 60 31.854 5.453 48.486 1.00 1.57 O +ATOM 1306 C1' C A 60 30.908 6.887 46.741 1.00 0.00 C +ATOM 1307 N1 C A 60 31.515 6.465 45.480 1.00 0.00 N +ATOM 1308 C2 C A 60 31.008 5.346 44.833 1.00 0.00 C +ATOM 1309 O2 C A 60 30.066 4.728 45.318 1.00 2.85 O +ATOM 1310 N3 C A 60 31.578 4.964 43.654 1.00 0.00 N +ATOM 1311 C4 C A 60 32.620 5.639 43.104 1.00 0.00 C +ATOM 1312 N4 C A 60 33.147 5.223 41.957 1.00 0.00 N +ATOM 1313 C5 C A 60 33.143 6.786 43.767 1.00 2.56 C +ATOM 1314 C6 C A 60 32.567 7.151 44.930 1.00 3.95 C +ATOM 1315 P C A 61 29.733 8.118 50.910 1.00 7.49 P +ATOM 1316 OP1 C A 61 28.360 7.730 51.347 1.00 10.82 O +ATOM 1317 OP2 C A 61 29.769 9.479 50.312 1.00 6.11 O +ATOM 1318 O5' C A 61 30.808 7.899 52.058 1.00 10.45 O +ATOM 1319 C5' C A 61 31.291 6.589 52.462 1.00 9.37 C +ATOM 1320 C4' C A 61 32.501 6.864 53.335 1.00 10.13 C +ATOM 1321 O4' C A 61 33.693 6.696 52.607 1.00 10.76 O +ATOM 1322 C3' C A 61 32.554 8.321 53.836 1.00 12.52 C +ATOM 1323 O3' C A 61 31.688 8.500 54.935 1.00 9.41 O +ATOM 1324 C2' C A 61 34.043 8.495 54.143 1.00 11.10 C +ATOM 1325 O2' C A 61 34.299 7.916 55.419 1.00 9.69 O +ATOM 1326 C1' C A 61 34.676 7.657 53.044 1.00 5.41 C +ATOM 1327 N1 C A 61 35.115 8.461 51.896 1.00 0.00 N +ATOM 1328 C2 C A 61 36.278 9.192 52.042 1.00 0.00 C +ATOM 1329 O2 C A 61 36.904 9.181 53.092 1.00 0.00 O +ATOM 1330 N3 C A 61 36.698 9.928 50.975 1.00 0.00 N +ATOM 1331 C4 C A 61 36.011 9.957 49.795 1.00 0.02 C +ATOM 1332 N4 C A 61 36.488 10.699 48.793 1.00 0.00 N +ATOM 1333 C5 C A 61 34.819 9.198 49.666 1.00 0.54 C +ATOM 1334 C6 C A 61 34.423 8.478 50.716 1.00 0.00 C +ATOM 1335 P A A 62 31.598 9.715 55.969 1.00 0.00 P +ATOM 1336 OP1 A A 62 30.669 9.321 57.084 1.00 13.83 O +ATOM 1337 OP2 A A 62 31.052 10.839 55.161 1.00 3.90 O +ATOM 1338 O5' A A 62 33.083 9.928 56.470 1.00 5.65 O +ATOM 1339 C5' A A 62 33.403 9.720 57.876 1.00 7.49 C +ATOM 1340 C4' A A 62 34.706 10.474 58.070 1.00 6.76 C +ATOM 1341 O4' A A 62 35.545 10.215 56.971 1.00 6.26 O +ATOM 1342 C3' A A 62 34.569 11.986 58.102 1.00 11.20 C +ATOM 1343 O3' A A 62 34.173 12.498 59.379 1.00 15.08 O +ATOM 1344 C2' A A 62 35.965 12.441 57.682 1.00 6.66 C +ATOM 1345 O2' A A 62 36.804 12.357 58.830 1.00 13.43 O +ATOM 1346 C1' A A 62 36.328 11.379 56.680 1.00 2.51 C +ATOM 1347 N9 A A 62 36.065 11.879 55.322 1.00 1.03 N +ATOM 1348 C8 A A 62 35.142 11.452 54.417 1.00 0.95 C +ATOM 1349 N7 A A 62 35.172 12.121 53.270 1.00 0.87 N +ATOM 1350 C5 A A 62 36.188 13.049 53.464 1.00 0.00 C +ATOM 1351 C6 A A 62 36.711 14.055 52.624 1.00 2.21 C +ATOM 1352 N6 A A 62 36.281 14.302 51.395 1.00 2.87 N +ATOM 1353 N1 A A 62 37.730 14.797 53.157 1.00 3.05 N +ATOM 1354 C2 A A 62 38.197 14.567 54.417 1.00 3.86 C +ATOM 1355 N3 A A 62 37.750 13.639 55.258 1.00 0.41 N +ATOM 1356 C4 A A 62 36.744 12.914 54.724 1.00 0.00 C +ATOM 1357 P C A 63 32.847 13.431 59.411 1.00 11.17 P +ATOM 1358 OP1 C A 63 32.074 13.060 60.640 1.00 24.93 O +ATOM 1359 OP2 C A 63 32.118 13.111 58.167 1.00 9.41 O +ATOM 1360 O5' C A 63 33.453 14.898 59.476 1.00 8.59 O +ATOM 1361 C5' C A 63 34.502 15.129 60.446 1.00 8.21 C +ATOM 1362 C4' C A 63 35.462 16.135 59.848 1.00 11.64 C +ATOM 1363 O4' C A 63 36.065 15.590 58.684 1.00 6.82 O +ATOM 1364 C3' C A 63 34.819 17.445 59.379 1.00 9.87 C +ATOM 1365 O3' C A 63 34.582 18.389 60.414 1.00 12.92 O +ATOM 1366 C2' C A 63 35.845 17.917 58.345 1.00 11.37 C +ATOM 1367 O2' C A 63 36.897 18.541 59.088 1.00 12.44 O +ATOM 1368 C1' C A 63 36.321 16.619 57.731 1.00 4.28 C +ATOM 1369 N1 C A 63 35.595 16.456 56.454 1.00 3.35 N +ATOM 1370 C2 C A 63 36.131 17.085 55.339 1.00 0.67 C +ATOM 1371 O2 C A 63 37.171 17.737 55.436 1.00 0.00 O +ATOM 1372 N3 C A 63 35.468 16.945 54.159 1.00 0.00 N +ATOM 1373 C4 C A 63 34.316 16.219 54.046 1.00 0.00 C +ATOM 1374 N4 C A 63 33.716 16.124 52.866 1.00 0.00 N +ATOM 1375 C5 C A 63 33.773 15.584 55.193 1.00 0.00 C +ATOM 1376 C6 C A 63 34.439 15.730 56.357 1.00 1.15 C +ATOM 1377 P A A 64 33.427 19.508 60.381 1.00 29.16 P +ATOM 1378 OP1 A A 64 33.257 20.166 61.723 1.00 22.93 O +ATOM 1379 OP2 A A 64 32.197 18.766 59.993 1.00 29.67 O +ATOM 1380 O5' A A 64 33.893 20.599 59.298 1.00 13.19 O +ATOM 1381 C5' A A 64 34.536 21.796 59.832 1.00 11.86 C +ATOM 1382 C4' A A 64 35.309 22.426 58.684 1.00 9.56 C +ATOM 1383 O4' A A 64 35.835 21.437 57.828 1.00 10.56 O +ATOM 1384 C3' A A 64 34.459 23.298 57.763 1.00 9.53 C +ATOM 1385 O3' A A 64 34.179 24.596 58.313 1.00 6.01 O +ATOM 1386 C2' A A 64 35.285 23.320 56.486 1.00 9.55 C +ATOM 1387 O2' A A 64 36.328 24.264 56.696 1.00 13.78 O +ATOM 1388 C1' A A 64 35.832 21.920 56.486 1.00 10.59 C +ATOM 1389 N9 A A 64 34.945 21.099 55.646 1.00 9.66 N +ATOM 1390 C8 A A 64 34.213 20.003 56.050 1.00 8.00 C +ATOM 1391 N7 A A 64 33.503 19.475 55.080 1.00 9.86 N +ATOM 1392 C5 A A 64 33.786 20.273 53.981 1.00 6.12 C +ATOM 1393 C6 A A 64 33.330 20.217 52.640 1.00 7.34 C +ATOM 1394 N6 A A 64 32.484 19.300 52.187 1.00 4.78 N +ATOM 1395 N1 A A 64 33.823 21.184 51.815 1.00 6.33 N +ATOM 1396 C2 A A 64 34.696 22.134 52.268 1.00 8.33 C +ATOM 1397 N3 A A 64 35.165 22.241 53.512 1.00 10.73 N +ATOM 1398 C4 A A 64 34.666 21.279 54.320 1.00 9.34 C +ATOM 1399 P G A 65 32.620 24.596 58.813 1.00 15.79 P +ATOM 1400 OP1 G A 65 32.494 25.395 60.074 1.00 16.85 O +ATOM 1401 OP2 G A 65 32.334 23.151 59.024 1.00 11.11 O +ATOM 1402 O5' G A 65 31.888 25.232 57.553 1.00 11.06 O +ATOM 1403 C5' G A 65 32.317 26.564 57.214 1.00 9.01 C +ATOM 1404 C4' G A 65 32.814 26.575 55.775 1.00 5.09 C +ATOM 1405 O4' G A 65 33.303 25.310 55.355 1.00 8.92 O +ATOM 1406 C3' G A 65 31.711 26.901 54.757 1.00 0.42 C +ATOM 1407 O3' G A 65 31.378 28.295 54.724 1.00 0.15 O +ATOM 1408 C2' G A 65 32.301 26.345 53.480 1.00 1.10 C +ATOM 1409 O2' G A 65 33.217 27.329 52.995 1.00 0.00 O +ATOM 1410 C1' G A 65 33.020 25.114 53.965 1.00 6.67 C +ATOM 1411 N9 G A 65 32.107 23.989 53.706 1.00 3.03 N +ATOM 1412 C8 G A 65 31.561 23.106 54.611 1.00 0.12 C +ATOM 1413 N7 G A 65 30.768 22.224 54.062 1.00 2.15 N +ATOM 1414 C5 G A 65 30.788 22.544 52.704 1.00 0.00 C +ATOM 1415 C6 G A 65 30.135 21.959 51.589 1.00 1.19 C +ATOM 1416 O6 G A 65 29.373 20.987 51.589 1.00 8.55 O +ATOM 1417 N1 G A 65 30.402 22.561 50.393 1.00 0.00 N +ATOM 1418 C2 G A 65 31.232 23.635 50.280 1.00 0.00 C +ATOM 1419 N2 G A 65 31.381 24.101 49.035 1.00 0.00 N +ATOM 1420 N3 G A 65 31.868 24.225 51.298 1.00 0.00 N +ATOM 1421 C4 G A 65 31.604 23.629 52.478 1.00 0.00 C +ATOM 1422 P A A 66 29.776 28.571 54.902 1.00 2.97 P +ATOM 1423 OP1 A A 66 29.596 29.858 55.646 1.00 8.00 O +ATOM 1424 OP2 A A 66 29.279 27.430 55.694 1.00 1.20 O +ATOM 1425 O5' A A 66 29.263 28.594 53.383 1.00 0.00 O +ATOM 1426 C5' A A 66 29.972 29.465 52.462 1.00 0.00 C +ATOM 1427 C4' A A 66 29.626 29.116 51.040 1.00 0.34 C +ATOM 1428 O4' A A 66 30.052 27.795 50.732 1.00 3.47 O +ATOM 1429 C3' A A 66 28.134 29.094 50.716 1.00 2.03 C +ATOM 1430 O3' A A 66 27.581 30.387 50.474 1.00 3.00 O +ATOM 1431 C2' A A 66 28.070 28.189 49.472 1.00 0.26 C +ATOM 1432 O2' A A 66 28.437 28.976 48.357 1.00 0.00 O +ATOM 1433 C1' A A 66 29.143 27.188 49.795 1.00 0.00 C +ATOM 1434 N9 A A 66 28.563 25.979 50.409 1.00 0.00 N +ATOM 1435 C8 A A 66 28.577 25.631 51.735 1.00 0.00 C +ATOM 1436 N7 A A 66 27.990 24.484 51.977 1.00 0.00 N +ATOM 1437 C5 A A 66 27.557 24.056 50.732 1.00 0.30 C +ATOM 1438 C6 A A 66 26.858 22.893 50.328 1.00 0.00 C +ATOM 1439 N6 A A 66 26.468 21.943 51.153 1.00 0.00 N +ATOM 1440 N1 A A 66 26.601 22.803 48.987 1.00 0.00 N +ATOM 1441 C2 A A 66 27.001 23.775 48.114 1.00 0.12 C +ATOM 1442 N3 A A 66 27.661 24.889 48.421 1.00 0.00 N +ATOM 1443 C4 A A 66 27.907 24.967 49.747 1.00 0.18 C +ATOM 1444 P A A 67 26.072 30.651 50.991 1.00 14.15 P +ATOM 1445 OP1 A A 67 25.872 32.135 51.153 1.00 15.31 O +ATOM 1446 OP2 A A 67 25.985 29.943 52.300 1.00 0.00 O +ATOM 1447 O5' A A 67 25.186 30.021 49.827 1.00 3.37 O +ATOM 1448 C5' A A 67 25.272 30.494 48.454 1.00 2.77 C +ATOM 1449 C4' A A 67 24.520 29.487 47.613 1.00 8.12 C +ATOM 1450 O4' A A 67 25.169 28.228 47.710 1.00 11.83 O +ATOM 1451 C3' A A 67 23.080 29.218 48.034 1.00 10.99 C +ATOM 1452 O3' A A 67 22.121 30.168 47.565 1.00 5.85 O +ATOM 1453 C2' A A 67 22.847 27.812 47.452 1.00 9.78 C +ATOM 1454 O2' A A 67 22.531 27.969 46.078 1.00 7.59 O +ATOM 1455 C1' A A 67 24.210 27.177 47.646 1.00 6.70 C +ATOM 1456 N9 A A 67 24.163 26.378 48.874 1.00 0.00 N +ATOM 1457 C8 A A 67 24.626 26.727 50.118 1.00 0.00 C +ATOM 1458 N7 A A 67 24.440 25.805 51.023 1.00 0.00 N +ATOM 1459 C5 A A 67 23.800 24.776 50.328 1.00 2.64 C +ATOM 1460 C6 A A 67 23.334 23.506 50.749 1.00 0.00 C +ATOM 1461 N6 A A 67 23.434 23.039 51.993 1.00 0.00 N +ATOM 1462 N1 A A 67 22.747 22.758 49.779 1.00 0.00 N +ATOM 1463 C2 A A 67 22.628 23.208 48.486 1.00 0.00 C +ATOM 1464 N3 A A 67 23.051 24.388 48.034 1.00 2.05 N +ATOM 1465 C4 A A 67 23.627 25.119 49.003 1.00 1.40 C +ATOM 1466 P U A 68 20.892 30.623 48.502 1.00 5.45 P +ATOM 1467 OP1 U A 68 20.409 31.983 48.098 1.00 15.56 O +ATOM 1468 OP2 U A 68 21.428 30.595 49.892 1.00 0.71 O +ATOM 1469 O5' U A 68 19.773 29.521 48.227 1.00 13.99 O +ATOM 1470 C5' U A 68 19.500 29.263 46.821 1.00 15.33 C +ATOM 1471 C4' U A 68 18.947 27.857 46.724 1.00 11.41 C +ATOM 1472 O4' U A 68 19.946 26.913 47.080 1.00 5.34 O +ATOM 1473 C3' U A 68 17.781 27.570 47.678 1.00 10.61 C +ATOM 1474 O3' U A 68 16.512 28.059 47.209 1.00 12.58 O +ATOM 1475 C2' U A 68 17.844 26.047 47.775 1.00 8.89 C +ATOM 1476 O2' U A 68 17.191 25.529 46.611 1.00 14.50 O +ATOM 1477 C1' U A 68 19.346 25.799 47.726 1.00 3.33 C +ATOM 1478 N1 U A 68 19.740 25.619 49.132 1.00 5.06 N +ATOM 1479 C2 U A 68 19.366 24.416 49.714 1.00 7.94 C +ATOM 1480 O2 U A 68 18.757 23.562 49.068 1.00 8.66 O +ATOM 1481 N3 U A 68 19.706 24.220 51.023 1.00 1.82 N +ATOM 1482 C4 U A 68 20.382 25.158 51.751 1.00 1.17 C +ATOM 1483 O4 U A 68 20.642 24.866 52.947 1.00 2.33 O +ATOM 1484 C5 U A 68 20.749 26.384 51.120 1.00 0.00 C +ATOM 1485 C6 U A 68 20.409 26.564 49.844 1.00 1.22 C +ATOM 1486 P U A 69 15.506 28.712 48.308 1.00 16.15 P +ATOM 1487 OP1 U A 69 14.440 29.493 47.613 1.00 4.70 O +ATOM 1488 OP2 U A 69 16.362 29.560 49.165 1.00 6.55 O +ATOM 1489 O5' U A 69 14.923 27.435 49.084 1.00 9.24 O +ATOM 1490 C5' U A 69 13.993 26.586 48.340 1.00 11.14 C +ATOM 1491 C4' U A 69 13.907 25.293 49.132 1.00 11.93 C +ATOM 1492 O4' U A 69 15.219 24.827 49.391 1.00 9.85 O +ATOM 1493 C3' U A 69 13.254 25.417 50.506 1.00 14.96 C +ATOM 1494 O3' U A 69 11.825 25.395 50.474 1.00 18.44 O +ATOM 1495 C2' U A 69 13.850 24.208 51.234 1.00 10.35 C +ATOM 1496 O2' U A 69 13.081 23.078 50.846 1.00 10.10 O +ATOM 1497 C1' U A 69 15.246 24.169 50.652 1.00 8.52 C +ATOM 1498 N1 U A 69 16.162 24.844 51.589 1.00 6.23 N +ATOM 1499 C2 U A 69 16.618 24.130 52.672 1.00 7.37 C +ATOM 1500 O2 U A 69 16.269 22.966 52.850 1.00 4.14 O +ATOM 1501 N3 U A 69 17.468 24.771 53.528 1.00 13.59 N +ATOM 1502 C4 U A 69 17.868 26.058 53.351 1.00 11.26 C +ATOM 1503 O4 U A 69 18.657 26.558 54.207 1.00 11.67 O +ATOM 1504 C5 U A 69 17.381 26.778 52.219 1.00 9.01 C +ATOM 1505 C6 U A 69 16.548 26.142 51.395 1.00 9.28 C +ATOM 1506 P C A 70 10.942 26.227 51.525 1.00 20.19 P +ATOM 1507 OP1 C A 70 9.633 26.615 50.910 1.00 23.18 O +ATOM 1508 OP2 C A 70 11.792 27.407 51.848 1.00 23.85 O +ATOM 1509 O5' C A 70 10.766 25.215 52.753 1.00 18.48 O +ATOM 1510 C5' C A 70 9.710 24.220 52.769 1.00 18.36 C +ATOM 1511 C4' C A 70 10.086 23.225 53.852 1.00 16.55 C +ATOM 1512 O4' C A 70 11.479 22.938 53.771 1.00 20.18 O +ATOM 1513 C3' C A 70 9.893 23.702 55.274 1.00 17.86 C +ATOM 1514 O3' C A 70 8.544 23.601 55.759 1.00 19.20 O +ATOM 1515 C2' C A 70 10.862 22.803 56.050 1.00 18.99 C +ATOM 1516 O2' C A 70 10.219 21.549 56.228 1.00 21.45 O +ATOM 1517 C1' C A 70 12.005 22.679 55.064 1.00 16.52 C +ATOM 1518 N1 C A 70 13.051 23.646 55.436 1.00 12.39 N +ATOM 1519 C2 C A 70 13.927 23.275 56.438 1.00 19.05 C +ATOM 1520 O2 C A 70 13.830 22.184 57.003 1.00 20.39 O +ATOM 1521 N3 C A 70 14.906 24.163 56.793 1.00 18.84 N +ATOM 1522 C4 C A 70 15.023 25.378 56.195 1.00 21.95 C +ATOM 1523 N4 C A 70 15.995 26.204 56.583 1.00 22.46 N +ATOM 1524 C5 C A 70 14.117 25.749 55.161 1.00 20.70 C +ATOM 1525 C6 C A 70 13.164 24.861 54.821 1.00 14.92 C +ATOM 1526 P G A 71 8.071 24.759 56.809 1.00 27.09 P +ATOM 1527 OP1 G A 71 6.575 24.838 56.809 1.00 29.37 O +ATOM 1528 OP2 G A 71 8.711 25.985 56.276 1.00 25.13 O +ATOM 1529 O5' G A 71 8.647 24.321 58.232 1.00 22.21 O +ATOM 1530 C5' G A 71 8.138 23.095 58.813 1.00 25.96 C +ATOM 1531 C4' G A 71 9.064 22.747 59.961 1.00 25.18 C +ATOM 1532 O4' G A 71 10.373 22.499 59.476 1.00 25.51 O +ATOM 1533 C3' G A 71 9.240 23.860 60.979 1.00 26.36 C +ATOM 1534 O3' G A 71 8.161 23.950 61.917 1.00 28.99 O +ATOM 1535 C2' G A 71 10.573 23.483 61.626 1.00 25.65 C +ATOM 1536 O2' G A 71 10.296 22.460 62.579 1.00 26.25 O +ATOM 1537 C1' G A 71 11.322 22.938 60.446 1.00 24.32 C +ATOM 1538 N9 G A 71 12.165 24.012 59.896 1.00 22.16 N +ATOM 1539 C8 G A 71 11.955 24.720 58.733 1.00 19.05 C +ATOM 1540 N7 G A 71 12.868 25.625 58.506 1.00 16.20 N +ATOM 1541 C5 G A 71 13.737 25.507 59.589 1.00 17.04 C +ATOM 1542 C6 G A 71 14.926 26.210 59.912 1.00 18.37 C +ATOM 1543 O6 G A 71 15.456 27.121 59.266 1.00 20.31 O +ATOM 1544 N1 G A 71 15.516 25.805 61.092 1.00 17.37 N +ATOM 1545 C2 G A 71 15.000 24.810 61.868 1.00 16.19 C +ATOM 1546 N2 G A 71 15.719 24.557 62.967 1.00 18.04 N +ATOM 1547 N3 G A 71 13.890 24.118 61.610 1.00 11.69 N +ATOM 1548 C4 G A 71 13.314 24.517 60.446 1.00 17.46 C +ATOM 1549 P C A 72 7.705 25.456 62.321 1.00 30.95 P +ATOM 1550 OP1 C A 72 6.309 25.406 62.854 1.00 27.88 O +ATOM 1551 OP2 C A 72 7.828 26.215 61.044 1.00 29.12 O +ATOM 1552 O5' C A 72 8.797 25.822 63.420 1.00 16.81 O +ATOM 1553 C5' C A 72 8.887 24.816 64.470 1.00 21.29 C +ATOM 1554 C4' C A 72 10.163 25.069 65.230 1.00 20.33 C +ATOM 1555 O4' C A 72 11.279 24.877 64.389 1.00 24.21 O +ATOM 1556 C3' C A 72 10.329 26.491 65.779 1.00 22.82 C +ATOM 1557 O3' C A 72 9.623 26.733 66.992 1.00 25.84 O +ATOM 1558 C2' C A 72 11.842 26.575 65.925 1.00 27.18 C +ATOM 1559 O2' C A 72 12.158 25.934 67.169 1.00 29.23 O +ATOM 1560 C1' C A 72 12.328 25.771 64.745 1.00 25.74 C +ATOM 1561 N1 C A 72 12.668 26.699 63.662 1.00 25.00 N +ATOM 1562 C2 C A 72 13.794 27.492 63.808 1.00 24.31 C +ATOM 1563 O2 C A 72 14.480 27.407 64.826 1.00 25.98 O +ATOM 1564 N3 C A 72 14.103 28.352 62.806 1.00 22.66 N +ATOM 1565 C4 C A 72 13.351 28.447 61.674 1.00 24.65 C +ATOM 1566 N4 C A 72 13.707 29.313 60.721 1.00 27.48 N +ATOM 1567 C5 C A 72 12.195 27.632 61.529 1.00 27.22 C +ATOM 1568 C6 C A 72 11.902 26.789 62.531 1.00 27.68 C +ATOM 1569 P A A 73 9.097 28.234 67.315 1.00 27.45 P +ATOM 1570 OP1 A A 73 8.168 28.222 68.478 1.00 24.27 O +ATOM 1571 OP2 A A 73 8.401 28.633 66.054 1.00 24.10 O +ATOM 1572 O5' A A 73 10.436 29.043 67.606 1.00 24.19 O +ATOM 1573 C5' A A 73 11.199 28.745 68.802 1.00 27.37 C +ATOM 1574 C4' A A 73 12.411 29.656 68.769 1.00 29.49 C +ATOM 1575 O4' A A 73 13.251 29.291 67.670 1.00 29.13 O +ATOM 1576 C3' A A 73 12.101 31.129 68.527 1.00 32.07 C +ATOM 1577 O3' A A 73 11.682 31.832 69.690 1.00 34.60 O +ATOM 1578 C2' A A 73 13.424 31.646 67.945 1.00 29.01 C +ATOM 1579 O2' A A 73 14.297 31.894 69.044 1.00 27.53 O +ATOM 1580 C1' A A 73 13.890 30.454 67.137 1.00 28.43 C +ATOM 1581 N9 A A 73 13.554 30.679 65.731 1.00 26.68 N +ATOM 1582 C8 A A 73 12.518 30.151 65.004 1.00 24.43 C +ATOM 1583 N7 A A 73 12.495 30.550 63.743 1.00 23.16 N +ATOM 1584 C5 A A 73 13.590 31.404 63.646 1.00 19.93 C +ATOM 1585 C6 A A 73 14.103 32.152 62.563 1.00 20.89 C +ATOM 1586 N6 A A 73 13.574 32.163 61.351 1.00 24.41 N +ATOM 1587 N1 A A 73 15.219 32.889 62.838 1.00 21.91 N +ATOM 1588 C2 A A 73 15.779 32.894 64.082 1.00 24.59 C +ATOM 1589 N3 A A 73 15.349 32.214 65.149 1.00 24.25 N +ATOM 1590 C4 A A 73 14.250 31.489 64.858 1.00 22.52 C +ATOM 1591 P C A 74 10.693 33.102 69.480 1.00 39.69 P +ATOM 1592 OP1 C A 74 10.103 33.513 70.790 1.00 29.46 O +ATOM 1593 OP2 C A 74 9.677 32.602 68.511 1.00 29.74 O +ATOM 1594 O5' C A 74 11.682 34.204 68.866 1.00 37.49 O +ATOM 1595 C5' C A 74 13.078 34.165 69.270 1.00 34.40 C +ATOM 1596 C4' C A 74 13.850 35.064 68.333 1.00 33.09 C +ATOM 1597 O4' C A 74 14.040 34.435 67.072 1.00 34.22 O +ATOM 1598 C3' C A 74 13.144 36.386 68.010 1.00 31.87 C +ATOM 1599 O3' C A 74 13.317 37.330 69.044 1.00 30.07 O +ATOM 1600 C2' C A 74 13.804 36.779 66.684 1.00 33.18 C +ATOM 1601 O2' C A 74 15.036 37.409 67.008 1.00 34.33 O +ATOM 1602 C1' C A 74 14.027 35.419 66.022 1.00 31.93 C +ATOM 1603 N1 C A 74 12.991 35.154 65.004 1.00 28.12 N +ATOM 1604 C2 C A 74 13.161 35.795 63.775 1.00 28.57 C +ATOM 1605 O2 C A 74 14.120 36.537 63.581 1.00 30.04 O +ATOM 1606 N3 C A 74 12.228 35.570 62.806 1.00 27.74 N +ATOM 1607 C4 C A 74 11.156 34.755 63.000 1.00 25.44 C +ATOM 1608 N4 C A 74 10.289 34.592 61.997 1.00 23.80 N +ATOM 1609 C5 C A 74 10.992 34.103 64.260 1.00 25.11 C +ATOM 1610 C6 C A 74 11.922 34.333 65.198 1.00 27.20 C +ATOM 1611 P C A 75 12.571 38.702 69.319 1.00 40.57 P +ATOM 1612 OP1 C A 75 13.464 39.624 70.127 1.00 39.27 O +ATOM 1613 OP2 C A 75 11.342 38.325 70.078 1.00 36.25 O +ATOM 1614 O5' C A 75 12.255 39.365 67.897 1.00 31.83 O +ATOM 1615 C5' C A 75 11.335 40.495 67.913 1.00 27.55 C +ATOM 1616 C4' C A 75 11.006 40.805 66.458 1.00 26.80 C +ATOM 1617 O4' C A 75 11.309 39.674 65.666 1.00 24.35 O +ATOM 1618 C3' C A 75 9.537 41.102 66.183 1.00 28.28 C +ATOM 1619 O3' C A 75 9.134 42.440 66.458 0.70 29.36 O +ATOM 1620 C2' C A 75 9.437 40.771 64.697 1.00 26.31 C +ATOM 1621 O2' C A 75 9.906 41.912 64.002 1.00 28.50 O +ATOM 1622 C1' C A 75 10.393 39.590 64.567 1.00 24.36 C +ATOM 1623 N1 C A 75 9.597 38.353 64.567 1.00 21.37 N +ATOM 1624 C2 C A 75 8.867 38.095 63.403 1.00 25.62 C +ATOM 1625 O2 C A 75 8.900 38.870 62.450 1.00 27.04 O +ATOM 1626 N3 C A 75 8.114 36.953 63.371 1.00 25.19 N +ATOM 1627 C4 C A 75 8.071 36.088 64.422 1.00 24.44 C +ATOM 1628 N4 C A 75 7.315 34.991 64.309 1.00 24.63 N +ATOM 1629 C5 C A 75 8.821 36.357 65.585 1.00 24.16 C +ATOM 1630 C6 C A 75 9.553 37.487 65.618 1.00 23.86 C +ATOM 1631 P A A 76 9.487 43.244 67.800 0.70 29.71 P +ATOM 1632 OP1 A A 76 9.333 42.356 68.996 0.70 33.40 O +ATOM 1633 OP2 A A 76 8.507 44.369 67.816 0.70 33.05 O +ATOM 1634 O5' A A 76 10.989 43.722 67.606 0.70 35.56 O +ATOM 1635 C5' A A 76 12.058 43.211 68.430 0.62 37.62 C +ATOM 1636 C4' A A 76 13.161 44.251 68.414 0.62 39.32 C +ATOM 1637 O4' A A 76 12.615 45.527 68.705 0.62 39.53 O +ATOM 1638 C3' A A 76 14.267 44.048 69.448 0.62 40.32 C +ATOM 1639 O3' A A 76 15.253 43.098 69.044 0.62 41.15 O +ATOM 1640 C2' A A 76 14.826 45.465 69.577 0.62 40.57 C +ATOM 1641 O2' A A 76 15.709 45.667 68.478 0.62 39.29 O +ATOM 1642 C1' A A 76 13.580 46.308 69.416 0.62 40.91 C +ATOM 1643 N9 A A 76 13.071 46.708 70.741 0.35 42.10 N +ATOM 1644 C8 A A 76 13.727 47.365 71.759 0.35 42.72 C +ATOM 1645 N7 A A 76 12.991 47.579 72.810 0.35 43.75 N +ATOM 1646 C5 A A 76 11.762 47.022 72.487 0.35 43.24 C +ATOM 1647 C6 A A 76 10.549 46.927 73.214 0.35 44.11 C +ATOM 1648 N6 A A 76 10.379 47.399 74.442 0.35 44.46 N +ATOM 1649 N1 A A 76 9.527 46.297 72.551 0.35 44.29 N +ATOM 1650 C2 A A 76 9.683 45.802 71.291 0.35 43.56 C +ATOM 1651 N3 A A 76 10.792 45.859 70.563 0.35 43.16 N +ATOM 1652 C4 A A 76 11.795 46.483 71.226 0.35 42.87 C Added: SwiftApps/modFTdock/app/campaign-status.sh =================================================================== --- SwiftApps/modFTdock/app/campaign-status.sh (rev 0) +++ SwiftApps/modFTdock/app/campaign-status.sh 2011-04-04 20:30:18 UTC (rev 4269) @@ -0,0 +1,4 @@ +for j in `ls ????-?_???.dat | cut -c 1-6 | sort | uniq`; do + i=`echo ${j} | cut -d "_" -f 1 | sort | uniq` + echo ${i} " -> " `ls ${i}_???.dat | wc -l`' +done Added: SwiftApps/modFTdock/app/dock.out =================================================================== --- SwiftApps/modFTdock/app/dock.out (rev 0) +++ SwiftApps/modFTdock/app/dock.out 2011-04-04 20:30:18 UTC (rev 4269) @@ -0,0 +1,27 @@ + + 3D-Dock Suite (March 2001) + Copyright (C) 1997-2000 Gidon Moont (FTdock) + Copyright (C) 2010 Marc Parisien (modFTdock) + This program comes with ABSOLUTELY NO WARRANTY + for details see license. This program is free software, + and you may redistribute it under certain conditions. + +Starting modFTDock (v2.0) global search program +Computation started at: Thu Feb 24 22:39:12 2011 + + reading parsed pdb file: 2PHN.pdb + reading parsed pdb file: 4TRA.pdb +Total number of rotations is 15840 +Using automatic calculation for grid size +Span = 182.449 angstroms +Grid size = 364 +Each Grid cube = 0.50123 angstroms +Modulo for parallel jobs: ( angle mod 100 ) == 0 +Creating plans +Setting up Static Structure + surfacing grid + one time forward FFT calculations + done +Starting main loop through the rotations +[100][200][300][400][500][600][700][800][900]./modftdock64.sh: line 43: 4352 Killed /lustre/beagle/wilde/mp/mp01/app/modftdock64 $* +./modftdock64.sh: line 46: kill: (4353) - No such process Added: SwiftApps/modFTdock/app/modftdock.BKP.sh =================================================================== --- SwiftApps/modFTdock/app/modftdock.BKP.sh (rev 0) +++ SwiftApps/modFTdock/app/modftdock.BKP.sh 2011-04-04 20:30:18 UTC (rev 4269) @@ -0,0 +1,53 @@ +#! /bin/bash + +oomlog=/lustre/beagle/$USER/oom.log +host=$(hostname -s) +date=$(date) + +lowmem=4000 +verylowmem=2000 +maxtries=10 +startsleep=1 + +version=$1 +shift + +# if mem is low, wait for it to recover before starting + +for i in $(seq 0 $maxtries); do + freeMB=$(free -m | grep cache: | awk '{print $4}') + if [ $freeMB -lt $lowmem ]; then + if [ $i = $maxtries ]; then + echo "$host $(date) freeMB = $freeMB below yellow mark $lowmem after $maxtries $startsleep sec pauses. Exiting." >>$oomlog + exit 7 + else + echo "$host $(date) freeMB = $freeMB below yellow mark $lowmem on try $i. Sleeping $startsleep sec." >>$oomlog + sleep $startsleep + fi + else + break + fi +done + +/lustre/beagle/wilde/mp/mp01/app/modftdock${version} $* & +dockpid=$! + +# watch for mem dropping very low - kill dock process if below red mark + +while true; do + sleep 1 + freeMB=$(free -m | grep cache: | awk '{print $4}') + if [ $freeMB -lt $verylowmem ]; then + kill -9 $dockpid + echo "$host $(date) freeMB = $freeMB below red mark $verylowmem. Killed dock process $pid." >>$oomlog + break; + fi +done & + +monitorpid=$! + +wait $dockpid +rc=$? + +kill $monitorpid +exit $rc Property changes on: SwiftApps/modFTdock/app/modftdock.BKP.sh ___________________________________________________________________ Name: svn:executable + * Added: SwiftApps/modFTdock/app/modftdock.sh =================================================================== --- SwiftApps/modFTdock/app/modftdock.sh (rev 0) +++ SwiftApps/modFTdock/app/modftdock.sh 2011-04-04 20:30:18 UTC (rev 4269) @@ -0,0 +1,74 @@ +#! /bin/bash + + + +#commented the following for the time being +#oomlog=/tmp/oom.log +oomlog=/lustre/beagle/$USER/oom.log +host=$(hostname -s) +date=$(date) + +lowmem=4000 +verylowmem=2000 +maxtries=10 +startsleep=1 + +version=$1 +shift + +# if mem is low, wait for it to recover before starting + +for i in $(seq 0 $maxtries); do + freeMB=$(free -m | grep cache: | awk '{print $4}') + if [ $freeMB -lt $lowmem ]; then + if [ $i = $maxtries ]; then + echo "$host $(date) freeMB = $freeMB below yellow mark $lowmem after $maxtries $startsleep sec pauses. Exiting." >>$oomlog + exit 7 + else + echo "$host $(date) freeMB = $freeMB below yellow mark $lowmem on try $i. Sleeping $startsleep sec." >>$oomlog + sleep $startsleep + fi + else + break + fi +done + +#/lustre/beagle/wilde/mp/mp01/app/modftdock${version} $* & +/lustre/beagle/ketan/labs/modftdock/pbs.run/app/modftdock${version} $* & +dockpid=$! + +# watch for mem dropping very low - kill dock process if below red mark + +while true; do + sleep 1 + freeMB=$(free -m | grep cache: | awk '{print $4}') + if [ $freeMB -lt $verylowmem ]; then + kill -9 $dockpid + echo "$host $(date) freeMB = $freeMB below red mark $verylowmem. Killed dock process $pid." >>$oomlog + break; + fi +done & + +monitorpid=$! + +wait $dockpid +rc=$? + +kill $monitorpid + +if [ -d output ]; then + echo "output dir exists" +else + mkdir -p output # FIXME: this mkdir should not be needed when running under swift, but is needed for standalone tests +fi + +if [ -e *.dat ]; then + mv *.dat output/ +fi + +if [ -e *.txt ]; then + mv *.txt output/ +fi +#exit +exit $rc + Property changes on: SwiftApps/modFTdock/app/modftdock.sh ___________________________________________________________________ Name: svn:executable + * Added: SwiftApps/modFTdock/app/modftdock.sh.2011.0225 =================================================================== --- SwiftApps/modFTdock/app/modftdock.sh.2011.0225 (rev 0) +++ SwiftApps/modFTdock/app/modftdock.sh.2011.0225 2011-04-04 20:30:18 UTC (rev 4269) @@ -0,0 +1,55 @@ +#! /bin/bash + +oomlog=/lustre/beagle/$USER/oom.log +host=$(hostname -s) +date=$(date) + +lowmem=4000 +verylowmem=2000 +maxtries=10 +startsleep=1 + +version=$1 +shift + +# if mem is low, wait for it to recover before starting + +for i in $(seq 0 $maxtries); do + freeMB=$(free -m | grep cache: | awk '{print $4}') + if [ $freeMB -lt $lowmem ]; then + if [ $i = $maxtries ]; then + echo "$host $(date) freeMB = $freeMB below yellow mark $lowmem after $maxtries $startsleep sec pauses. Exiting." >>$oomlog + exit 7 + else + echo "$host $(date) freeMB = $freeMB below yellow mark $lowmem on try $i. Sleeping $startsleep sec." >>$oomlog + sleep $startsleep + fi + else + break + fi +done + +/lustre/beagle/wilde/mp/mp01/app/modftdock${version} $* & +dockpid=$! + +# watch for mem dropping very low - kill dock process if below red mark + +while true; do + sleep 1 + freeMB=$(free -m | grep cache: | awk '{print $4}') + if [ $freeMB -lt $verylowmem ]; then + kill -9 $dockpid + echo "$host $(date) freeMB = $freeMB below red mark $verylowmem. Killed dock process $pid." >>$oomlog + break; + fi +done & + +monitorpid=$! + +wait $dockpid +rc=$? + +kill $monitorpid + +mv *.dat *.txt output/ +exit $rc Property changes on: SwiftApps/modFTdock/app/modftdock.sh.2011.0225 ___________________________________________________________________ Name: svn:executable + * Added: SwiftApps/modFTdock/app/modftdock.tgz =================================================================== (Binary files differ) Property changes on: SwiftApps/modFTdock/app/modftdock.tgz ___________________________________________________________________ Name: svn:mime-type + application/octet-stream Added: SwiftApps/modFTdock/app/modftdock32 =================================================================== (Binary files differ) Property changes on: SwiftApps/modFTdock/app/modftdock32 ___________________________________________________________________ Name: svn:executable + * Name: svn:mime-type + application/octet-stream Added: SwiftApps/modFTdock/app/modftdock64 =================================================================== (Binary files differ) Property changes on: SwiftApps/modFTdock/app/modftdock64 ___________________________________________________________________ Name: svn:executable + * Name: svn:mime-type + application/octet-stream Added: SwiftApps/modFTdock/app/modmerge =================================================================== (Binary files differ) Property changes on: SwiftApps/modFTdock/app/modmerge ___________________________________________________________________ Name: svn:executable + * Name: svn:mime-type + application/octet-stream Added: SwiftApps/modFTdock/app/mp01.sub =================================================================== --- SwiftApps/modFTdock/app/mp01.sub (rev 0) +++ SwiftApps/modFTdock/app/mp01.sub 2011-04-04 20:30:18 UTC (rev 4269) @@ -0,0 +1,13 @@ +#PBS -l mppwidth=24 +#PBS -l mppnppn=24 +#PBS -l walltime=00:10:00 +#PBS -j oe + +cd $HOME/mp/mp01 +echo PWD: +pwd +df -h $(pwd) +mount + +aprun -n 1 -N 1 -cc none -d 24 -F exclusive \ +./mp01.sh 2.5 4 Added: SwiftApps/modFTdock/app/params_2PHN_000.dat =================================================================== --- SwiftApps/modFTdock/app/params_2PHN_000.dat (rev 0) +++ SwiftApps/modFTdock/app/params_2PHN_000.dat 2011-04-04 20:30:18 UTC (rev 4269) @@ -0,0 +1,19 @@ + +Global Scan + +Command line controllable values +Static molecule :: 2PHN.pdb +Mobile molecule :: 4TRA.pdb +Output file name :: 2PHN_000.dat + +Global grid size :: 364 (user defined calculated) +Global search angle step :: 10 (user defined) +Global surface thickness :: 1.30 (default) +Global internal deterrent value :: -15.00 (default) +Electrostatics :: off (user defined) +Global keep per rotation :: 10 (user defined) + +Calculated values +Global rotations :: 15840 +Global total span (angstroms) :: 182.449 +Global grid cell span (angstroms) :: 0.501 Added: SwiftApps/modFTdock/app/params_2PHN_001.dat =================================================================== --- SwiftApps/modFTdock/app/params_2PHN_001.dat (rev 0) +++ SwiftApps/modFTdock/app/params_2PHN_001.dat 2011-04-04 20:30:18 UTC (rev 4269) @@ -0,0 +1,19 @@ + +Global Scan + +Command line controllable values +Static molecule :: 2PHN.pdb +Mobile molecule :: 4TRA.pdb +Output file name :: 2PHN_001.dat + +Global grid size :: 20 (user defined calculated) +Global search angle step :: 10 (user defined) +Global surface thickness :: 1.30 (default) +Global internal deterrent value :: -15.00 (default) +Electrostatics :: off (user defined) +Global keep per rotation :: 10 (user defined) + +Calculated values +Global rotations :: 15840 +Global total span (angstroms) :: 182.449 +Global grid cell span (angstroms) :: 9.122 Added: SwiftApps/modFTdock/app/params_2PHN_076.dat =================================================================== --- SwiftApps/modFTdock/app/params_2PHN_076.dat (rev 0) +++ SwiftApps/modFTdock/app/params_2PHN_076.dat 2011-04-04 20:30:18 UTC (rev 4269) @@ -0,0 +1,19 @@ + +Global Scan + +Command line controllable values +Static molecule :: 2PHN.pdb +Mobile molecule :: 4TRA.pdb +Output file name :: 2PHN_076.dat + +Global grid size :: 122 (user defined calculated) +Global search angle step :: 10 (user defined) +Global surface thickness :: 1.30 (default) +Global internal deterrent value :: -15.00 (default) +Electrostatics :: off (user defined) +Global keep per rotation :: 10 (user defined) + +Calculated values +Global rotations :: 15840 +Global total span (angstroms) :: 182.449 +Global grid cell span (angstroms) :: 1.495 Added: SwiftApps/modFTdock/app/pdb.list =================================================================== --- SwiftApps/modFTdock/app/pdb.list (rev 0) +++ SwiftApps/modFTdock/app/pdb.list 2011-04-04 20:30:18 UTC (rev 4269) @@ -0,0 +1,60 @@ +1j55-1 +1jmt-1 +1wf0-1 +1wxp-1 +1y4m-1 +1y4m-2 +2day-1 +2dhy-1 +2e5p-1 +2eaq-1 +2if5-1 +2jng-1 +3dem-1 +3e3r-2 +3l46-1 +1a85-1 +1aap-1 +1by6-1 +1dgu-1 +1gk4-2 +1gk4-3 +1q02-1 +1s1n-1 +1spj-1 +1t5q-1 +1wp0-1 +1wp0-2 +1wp0-3 +1wt6-1 +1x2k-1 +1x5e-1 +1xks-1 +1z6c-1 +2cp2-1 +2d8i-1 +2diq-1 +2dl5-1 +2dnl-1 +2dny-1 +2ekf-1 +2ewy-1 +2ewy-2 +2ewy-3 +2ewy-4 +2fc8-1 +2i32-2 +2jnu-1 +2juf-1 +2jxc-1 +2kr6-1 +2vp7-1 +3e3r-1 +3ep0-1 +3ep0-2 +1bor-1 +1ekg-1 +1f59-1 +1f59-2 +1few-1 +1g8i-1 Added: SwiftApps/modFTdock/app/scores_2PHN_000.dat =================================================================== --- SwiftApps/modFTdock/app/scores_2PHN_000.dat (rev 0) +++ SwiftApps/modFTdock/app/scores_2PHN_000.dat 2011-04-04 20:30:18 UTC (rev 4269) @@ -0,0 +1,80 @@ +G_DATA 100 0 721 0 -5 -36 -90 270 10 60 +G_DATA 100 0 689 0 57 -54 -12 270 10 60 +G_DATA 100 0 671 0 58 -54 -11 270 10 60 +G_DATA 100 0 663 0 -6 -36 -90 270 10 60 +G_DATA 100 0 658 0 56 -54 -13 270 10 60 +G_DATA 100 0 649 0 58 -54 -12 270 10 60 +G_DATA 100 0 649 0 -5 -37 -90 270 10 60 +G_DATA 100 0 634 0 -5 -35 -90 270 10 60 +G_DATA 100 0 625 0 58 -55 -11 270 10 60 +G_DATA 100 0 612 0 57 -55 -12 270 10 60 +G_DATA 200 0 650 0 -30 -18 105 190 10 240 +G_DATA 200 0 645 0 -30 -17 105 190 10 240 +G_DATA 200 0 628 0 40 55 -73 190 10 240 +G_DATA 200 0 612 0 56 -27 61 190 10 240 +G_DATA 200 0 604 0 -52 0 120 190 10 240 +G_DATA 200 0 592 0 39 56 -73 190 10 240 +G_DATA 200 0 591 0 -52 -1 120 190 10 240 +G_DATA 200 0 580 0 40 56 -73 190 10 240 +G_DATA 200 0 571 0 39 55 -73 190 10 240 +G_DATA 200 0 571 0 -57 -66 1 190 10 240 +G_DATA 300 0 586 0 59 -29 -73 110 20 24 +G_DATA 300 0 586 0 -61 -4 102 110 20 24 +G_DATA 300 0 544 0 -61 -5 103 110 20 24 +G_DATA 300 0 536 0 -69 33 10 110 20 24 +G_DATA 300 0 527 0 58 -30 -73 110 20 24 +G_DATA 300 0 518 0 -59 -30 59 110 20 24 +G_DATA 300 0 517 0 10 77 -92 110 20 24 +G_DATA 300 0 516 0 -61 -5 102 110 20 24 +G_DATA 300 0 514 0 -23 -9 111 110 20 24 +G_DATA 300 0 512 0 -60 -31 53 110 20 24 +G_DATA 400 0 628 0 -53 -26 -36 30 20 96 +G_DATA 400 0 611 0 71 10 46 30 20 96 +G_DATA 400 0 604 0 71 9 46 30 20 96 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20 192 +G_DATA 576 0 0 0 0 0 0 350 20 192 +G_DATA 576 0 0 0 0 0 0 350 20 192 +G_DATA 576 0 0 0 0 0 0 350 20 192 +G_DATA 576 0 0 0 0 0 0 350 20 192 +G_DATA 576 0 0 0 0 0 0 350 20 192 +G_DATA 576 0 0 0 0 0 0 350 20 192 +G_DATA 576 0 0 0 0 0 0 350 20 192 +G_DATA 676 0 0 0 0 0 0 270 20 264 +G_DATA 676 0 0 0 0 0 0 270 20 264 +G_DATA 676 0 0 0 0 0 0 270 20 264 +G_DATA 676 0 0 0 0 0 0 270 20 264 +G_DATA 676 0 0 0 0 0 0 270 20 264 +G_DATA 676 0 0 0 0 0 0 270 20 264 +G_DATA 676 0 0 0 0 0 0 270 20 264 +G_DATA 676 0 0 0 0 0 0 270 20 264 +G_DATA 676 0 0 0 0 0 0 270 20 264 +G_DATA 676 0 0 0 0 0 0 270 20 264 Added: SwiftApps/modFTdock/app/swift.log =================================================================== --- SwiftApps/modFTdock/app/swift.log (rev 0) +++ SwiftApps/modFTdock/app/swift.log 2011-04-04 20:30:18 UTC (rev 4269) @@ -0,0 +1 @@ +2011-02-13 23:41:12,050-0600 DEBUG Loader Loader started From ketan at ci.uchicago.edu Mon Apr 4 18:17:25 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Mon, 4 Apr 2011 18:17:25 -0500 (CDT) Subject: [Swift-commit] r4272 - SwiftApps/modFTdock Message-ID: <20110404231725.370C09CC6B@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-04 18:16:03 -0500 (Mon, 04 Apr 2011) New Revision: 4272 Modified: SwiftApps/modFTdock/run.sh Log: Modified: SwiftApps/modFTdock/run.sh =================================================================== --- SwiftApps/modFTdock/run.sh 2011-04-04 21:55:53 UTC (rev 4271) +++ SwiftApps/modFTdock/run.sh 2011-04-04 23:16:03 UTC (rev 4272) @@ -1,5 +1,8 @@ #SWIFT_HEAP_MAX=6000M swift -config ./swift/cf -tc.file ./swift/tc -sites.file ./swift/beagle-sites.xml ./swift/ftdock.swift -n=100 -list=./swift/pdb.list.100 -grid=0.5 >std.out 2>std.err < /dev/null & +#short run for testing purpose +swift -config ./swift/cf -tc.file ./swift/tc -sites.file ./swift/beagle-sites.xml ./swift/ftdock.swift -n=1 -list=pdb.list.1 -grid=10 + #nohup execution for long runs -SWIFT_HEAP_MAX=6000M nohup swift -config ./swift/cf -tc.file ./swift/tc -sites.file ./swift/beagle-sites.xml ./swift/ftdock.swift -n=100 -list=./swift/pdb.list.100 -grid=0.5 >std.out 2>std.err < /dev/null & +#SWIFT_HEAP_MAX=6000M nohup swift -config ./swift/cf -tc.file ./swift/tc -sites.file ./swift/beagle-sites.xml ./swift/ftdock.swift -n=100 -list=pdb.list.100 -grid=0.5 >std.out 2>std.err < /dev/null & From ketan at ci.uchicago.edu Mon Apr 4 20:19:42 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Mon, 4 Apr 2011 20:19:42 -0500 (CDT) Subject: [Swift-commit] r4273 - in SwiftApps/modFTdock: . swift Message-ID: <20110405011946.3AC4B9CC6B@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-04 20:18:36 -0500 (Mon, 04 Apr 2011) New Revision: 4273 Added: SwiftApps/modFTdock/pdb.list.1 Modified: SwiftApps/modFTdock/swift/sites-beagle.xml SwiftApps/modFTdock/swift/tc Log: fixed some paths Added: SwiftApps/modFTdock/pdb.list.1 =================================================================== --- SwiftApps/modFTdock/pdb.list.1 (rev 0) +++ SwiftApps/modFTdock/pdb.list.1 2011-04-05 01:18:36 UTC (rev 4273) @@ -0,0 +1 @@ +1cr8-1 Modified: SwiftApps/modFTdock/swift/sites-beagle.xml =================================================================== --- SwiftApps/modFTdock/swift/sites-beagle.xml 2011-04-04 23:16:03 UTC (rev 4272) +++ SwiftApps/modFTdock/swift/sites-beagle.xml 2011-04-05 01:18:36 UTC (rev 4273) @@ -33,6 +33,7 @@ 10000 + /lustre/beagle/ketan/labs/modftdock/bgl.10000tasks.production/swift.workdir Modified: SwiftApps/modFTdock/swift/tc =================================================================== --- SwiftApps/modFTdock/swift/tc 2011-04-04 23:16:03 UTC (rev 4272) +++ SwiftApps/modFTdock/swift/tc 2011-04-05 01:18:36 UTC (rev 4273) @@ -1,6 +1,2 @@ -localhost sh /bin/sh null null null -localhost cat /bin/cat null null null -pbs cat /bin/cat null null null -pbs modftdock /lustre/beagle/ketan/labs/modftdock/pbs.run/app/modftdock.sh null null GLOBUS::maxwalltime="01:00:00" -localhost modftdock /lustre/beagle/ketan/labs/modftdock/pbs.run/app/modftdock.sh null null GLOBUS::maxwalltime="1:00:00" -#pbs modftdock /lustre/beagle/wilde/mp/mp01/app/modftdock64.sh null null GLOBUS::maxwalltime="1:00:00" +#Put a *complete* path of modftdock.sh here +pbs modftdock modFTdock/app/modftdock.sh null null GLOBUS::maxwalltime="01:00:00" From ketan at ci.uchicago.edu Mon Apr 4 20:24:07 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Mon, 4 Apr 2011 20:24:07 -0500 (CDT) Subject: [Swift-commit] r4274 - SwiftApps/modFTdock Message-ID: <20110405012407.307559CC6B@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-04 20:23:47 -0500 (Mon, 04 Apr 2011) New Revision: 4274 Modified: SwiftApps/modFTdock/run.sh Log: fixed some paths Modified: SwiftApps/modFTdock/run.sh =================================================================== --- SwiftApps/modFTdock/run.sh 2011-04-05 01:18:36 UTC (rev 4273) +++ SwiftApps/modFTdock/run.sh 2011-04-05 01:23:47 UTC (rev 4274) @@ -1,8 +1,7 @@ #SWIFT_HEAP_MAX=6000M swift -config ./swift/cf -tc.file ./swift/tc -sites.file ./swift/beagle-sites.xml ./swift/ftdock.swift -n=100 -list=./swift/pdb.list.100 -grid=0.5 >std.out 2>std.err < /dev/null & #short run for testing purpose -swift -config ./swift/cf -tc.file ./swift/tc -sites.file ./swift/beagle-sites.xml ./swift/ftdock.swift -n=1 -list=pdb.list.1 -grid=10 +swift -config ./swift/cf -tc.file ./swift/tc -sites.file ./swift/sites-beagle.xml ./swift/ftdock.swift -n=1 -list=pdb.list.1 -grid=10 #nohup execution for long runs -#SWIFT_HEAP_MAX=6000M nohup swift -config ./swift/cf -tc.file ./swift/tc -sites.file ./swift/beagle-sites.xml ./swift/ftdock.swift -n=100 -list=pdb.list.100 -grid=0.5 >std.out 2>std.err < /dev/null & - +#SWIFT_HEAP_MAX=6000M nohup swift -config ./swift/cf -tc.file ./swift/tc -sites.file ./swift/sites-beagle.xml ./swift/ftdock.swift -n=100 -list=pdb.list.100 -grid=0.5 >std.out 2>std.err < /dev/null & From ketan at ci.uchicago.edu Mon Apr 4 22:27:58 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Mon, 4 Apr 2011 22:27:58 -0500 (CDT) Subject: [Swift-commit] r4275 - SwiftApps/modFTdock/swift Message-ID: <20110405032758.E2AAD9CCA0@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-04 22:27:17 -0500 (Mon, 04 Apr 2011) New Revision: 4275 Modified: SwiftApps/modFTdock/swift/sites-beagle.xml Log: Modified: SwiftApps/modFTdock/swift/sites-beagle.xml =================================================================== --- SwiftApps/modFTdock/swift/sites-beagle.xml 2011-04-05 01:23:47 UTC (rev 4274) +++ SwiftApps/modFTdock/swift/sites-beagle.xml 2011-04-05 03:27:17 UTC (rev 4275) @@ -34,6 +34,6 @@ - /lustre/beagle/ketan/labs/modftdock/bgl.10000tasks.production/swift.workdir + /tmp/swift.workdir From ketan at ci.uchicago.edu Mon Apr 4 22:44:28 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Mon, 4 Apr 2011 22:44:28 -0500 (CDT) Subject: [Swift-commit] r4276 - SwiftApps/modFTdock/swift Message-ID: <20110405034428.ADB5C9CCA0@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-04 22:41:13 -0500 (Mon, 04 Apr 2011) New Revision: 4276 Modified: SwiftApps/modFTdock/swift/sites-beagle.xml Log: Modified: SwiftApps/modFTdock/swift/sites-beagle.xml =================================================================== --- SwiftApps/modFTdock/swift/sites-beagle.xml 2011-04-05 03:27:17 UTC (rev 4275) +++ SwiftApps/modFTdock/swift/sites-beagle.xml 2011-04-05 03:41:13 UTC (rev 4276) @@ -10,7 +10,8 @@ 24:cray:pack 24 - 100000 + + 30000 100 From ketan at ci.uchicago.edu Tue Apr 5 10:20:38 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Tue, 5 Apr 2011 10:20:38 -0500 (CDT) Subject: [Swift-commit] r4277 - SwiftApps/modFTdock Message-ID: <20110405152038.6325E9CCA0@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-05 10:20:37 -0500 (Tue, 05 Apr 2011) New Revision: 4277 Removed: SwiftApps/modFTdock/swift/ Modified: SwiftApps/modFTdock/run.sh Log: Modified: SwiftApps/modFTdock/run.sh =================================================================== --- SwiftApps/modFTdock/run.sh 2011-04-05 03:41:13 UTC (rev 4276) +++ SwiftApps/modFTdock/run.sh 2011-04-05 15:20:37 UTC (rev 4277) @@ -1,3 +1,6 @@ +## +# Note: The configuration in this package is suitable for Beagle environment only +## #SWIFT_HEAP_MAX=6000M swift -config ./swift/cf -tc.file ./swift/tc -sites.file ./swift/beagle-sites.xml ./swift/ftdock.swift -n=100 -list=./swift/pdb.list.100 -grid=0.5 >std.out 2>std.err < /dev/null & #short run for testing purpose From ketan at ci.uchicago.edu Tue Apr 5 10:22:48 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Tue, 5 Apr 2011 10:22:48 -0500 (CDT) Subject: [Swift-commit] r4278 - SwiftApps/modFTdock Message-ID: <20110405152248.39CFE9CCA0@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-05 10:22:48 -0500 (Tue, 05 Apr 2011) New Revision: 4278 Added: SwiftApps/modFTdock/cf SwiftApps/modFTdock/ftdock.swift SwiftApps/modFTdock/sites-beagle.xml SwiftApps/modFTdock/tc Modified: SwiftApps/modFTdock/run.sh Log: Added: SwiftApps/modFTdock/cf =================================================================== --- SwiftApps/modFTdock/cf (rev 0) +++ SwiftApps/modFTdock/cf 2011-04-05 15:22:48 UTC (rev 4278) @@ -0,0 +1,12 @@ +wrapperlog.always.transfer=true +sitedir.keep=true +execution.retries=4 +lazy.errors=true +status.mode=provider +use.provider.staging=false +provider.staging.pin.swiftfiles=false +#clustering.enabled=false +#clustering.queue.delay=10 +#clustering.min.time=86400 +foreach.max.threads=1600 +provenance.log=true Added: SwiftApps/modFTdock/ftdock.swift =================================================================== --- SwiftApps/modFTdock/ftdock.swift (rev 0) +++ SwiftApps/modFTdock/ftdock.swift 2011-04-05 15:22:48 UTC (rev 4278) @@ -0,0 +1,51 @@ +type file_pdb; +type file_dat; + +app (file_dat dat_file) + do_one_dock( + string param_root, + string param_modulo, + file_pdb param_file_static, + file_pdb param_file_mobile ) +{ + modftdock 32 + "-modulo" @param_modulo + "-root" @param_root + "-static" @param_file_static + "-mobile" @param_file_mobile + "-calculate_grid" @arg("grid","2.5") + "-angle_step" "10" + "-keep" "10" + "-noelec"; +} + +string modulus = @arg("m","100"); +string str_roots[] = readData( @arg( "list" ) ); + +foreach str_root in str_roots +{ + trace( str_root ); + + string str_file_static = @strcat( "input/", str_root, ".pdb" ); + string str_file_mobile = "input/4TRA.pdb"; + + file_pdb file_static < single_file_mapper; file = str_file_static >; + file_pdb file_mobile < single_file_mapper; file = str_file_mobile >; + file_dat dat_files[] < simple_mapper; + padding = 3, + location = "output", + prefix = @strcat( str_root, "_" ), + suffix = ".dat" >; + + // break docking jobs + do 'em in parallel + int n = @toint(@arg("n","1")); + foreach mod_index in [0:n-1] + { + string str_modulo = @strcat(mod_index, ":", modulus); + dat_files[ mod_index ] = do_one_dock( str_root, + str_modulo, + file_static, + file_mobile ); + } +} + Modified: SwiftApps/modFTdock/run.sh =================================================================== --- SwiftApps/modFTdock/run.sh 2011-04-05 15:20:37 UTC (rev 4277) +++ SwiftApps/modFTdock/run.sh 2011-04-05 15:22:48 UTC (rev 4278) @@ -1,10 +1,10 @@ ## # Note: The configuration in this package is suitable for Beagle environment only ## -#SWIFT_HEAP_MAX=6000M swift -config ./swift/cf -tc.file ./swift/tc -sites.file ./swift/beagle-sites.xml ./swift/ftdock.swift -n=100 -list=./swift/pdb.list.100 -grid=0.5 >std.out 2>std.err < /dev/null & +#SWIFT_HEAP_MAX=6000M swift -config cf -tc.file tc -sites.file beagle-sites.xml ftdock.swift -n=100 -list=pdb.list.100 -grid=0.5 >std.out 2>std.err < /dev/null & #short run for testing purpose -swift -config ./swift/cf -tc.file ./swift/tc -sites.file ./swift/sites-beagle.xml ./swift/ftdock.swift -n=1 -list=pdb.list.1 -grid=10 +swift -config cf -tc.file tc -sites.file sites-beagle.xml ftdock.swift -n=1 -list=pdb.list.1 -grid=10 #nohup execution for long runs -#SWIFT_HEAP_MAX=6000M nohup swift -config ./swift/cf -tc.file ./swift/tc -sites.file ./swift/sites-beagle.xml ./swift/ftdock.swift -n=100 -list=pdb.list.100 -grid=0.5 >std.out 2>std.err < /dev/null & +#SWIFT_HEAP_MAX=6000M nohup swift -config cf -tc.file tc -sites.file sites-beagle.xml ftdock.swift -n=100 -list=pdb.list.100 -grid=0.5 >std.out 2>std.err < /dev/null & Added: SwiftApps/modFTdock/sites-beagle.xml =================================================================== --- SwiftApps/modFTdock/sites-beagle.xml (rev 0) +++ SwiftApps/modFTdock/sites-beagle.xml 2011-04-05 15:22:48 UTC (rev 4278) @@ -0,0 +1,40 @@ + + + + + + + + CI-CCR000013 + + 24:cray:pack + + 24 + + 30000 + + + 100 + + + 100 + + + 10 + + + 5 + + + 10 + + + 20.00 + + 10000 + + + + /tmp/swift.workdir + + Added: SwiftApps/modFTdock/tc =================================================================== --- SwiftApps/modFTdock/tc (rev 0) +++ SwiftApps/modFTdock/tc 2011-04-05 15:22:48 UTC (rev 4278) @@ -0,0 +1,2 @@ +#Put a *complete* path of modftdock.sh here +pbs modftdock modFTdock/app/modftdock.sh null null GLOBUS::maxwalltime="01:00:00" From ketan at ci.uchicago.edu Tue Apr 5 13:23:32 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Tue, 5 Apr 2011 13:23:32 -0500 (CDT) Subject: [Swift-commit] r4279 - in SwiftApps/modFTdock: . app Message-ID: <20110405182332.35C059CC94@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-05 13:23:32 -0500 (Tue, 05 Apr 2011) New Revision: 4279 Modified: SwiftApps/modFTdock/app/modftdock.sh SwiftApps/modFTdock/run.sh SwiftApps/modFTdock/sites-beagle.xml SwiftApps/modFTdock/tc Log: added a site file for small runs Modified: SwiftApps/modFTdock/app/modftdock.sh =================================================================== --- SwiftApps/modFTdock/app/modftdock.sh 2011-04-05 15:22:48 UTC (rev 4278) +++ SwiftApps/modFTdock/app/modftdock.sh 2011-04-05 18:23:32 UTC (rev 4279) @@ -3,8 +3,8 @@ #commented the following for the time being -#oomlog=/tmp/oom.log -oomlog=/lustre/beagle/$USER/oom.log +oomlog=/tmp/oom.log +#oomlog=/lustre/beagle/$USER/oom.log host=$(hostname -s) date=$(date) @@ -34,7 +34,7 @@ done #/lustre/beagle/wilde/mp/mp01/app/modftdock${version} $* & -/lustre/beagle/ketan/labs/modftdock/pbs.run/app/modftdock${version} $* & +/home/ketan/SwiftApps/modFTdock/app/modftdock${version} $* & dockpid=$! # watch for mem dropping very low - kill dock process if below red mark Modified: SwiftApps/modFTdock/run.sh =================================================================== --- SwiftApps/modFTdock/run.sh 2011-04-05 15:22:48 UTC (rev 4278) +++ SwiftApps/modFTdock/run.sh 2011-04-05 18:23:32 UTC (rev 4279) @@ -4,7 +4,7 @@ #SWIFT_HEAP_MAX=6000M swift -config cf -tc.file tc -sites.file beagle-sites.xml ftdock.swift -n=100 -list=pdb.list.100 -grid=0.5 >std.out 2>std.err < /dev/null & #short run for testing purpose -swift -config cf -tc.file tc -sites.file sites-beagle.xml ftdock.swift -n=1 -list=pdb.list.1 -grid=10 +swift -config cf -tc.file tc -sites.file sites-beagle-small.xml ftdock.swift -n=1 -list=pdb.list.1 -grid=10 #nohup execution for long runs #SWIFT_HEAP_MAX=6000M nohup swift -config cf -tc.file tc -sites.file sites-beagle.xml ftdock.swift -n=100 -list=pdb.list.100 -grid=0.5 >std.out 2>std.err < /dev/null & Modified: SwiftApps/modFTdock/sites-beagle.xml =================================================================== --- SwiftApps/modFTdock/sites-beagle.xml 2011-04-05 15:22:48 UTC (rev 4278) +++ SwiftApps/modFTdock/sites-beagle.xml 2011-04-05 18:23:32 UTC (rev 4279) @@ -3,6 +3,7 @@ + CI-CCR000013 @@ -11,22 +12,22 @@ 24 - 30000 + 100000 - 100 + 100 100 - 10 + 20 5 - 10 + 5 20.00 @@ -35,6 +36,6 @@ - /tmp/swift.workdir + /home/ketan/SwiftApps/modFTdock/swift.workdir Modified: SwiftApps/modFTdock/tc =================================================================== --- SwiftApps/modFTdock/tc 2011-04-05 15:22:48 UTC (rev 4278) +++ SwiftApps/modFTdock/tc 2011-04-05 18:23:32 UTC (rev 4279) @@ -1,2 +1,3 @@ #Put a *complete* path of modftdock.sh here -pbs modftdock modFTdock/app/modftdock.sh null null GLOBUS::maxwalltime="01:00:00" +pbs modftdock /home/ketan/SwiftApps/modFTdock/app/modftdock.sh null null GLOBUS::maxwalltime="00:10:00" +#localhost modftdock /home/ketan/SwiftApps/modFTdock/app/modftdock.sh null null GLOBUS::maxwalltime="00:10:00" From ketan at ci.uchicago.edu Tue Apr 5 13:24:43 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Tue, 5 Apr 2011 13:24:43 -0500 (CDT) Subject: [Swift-commit] r4280 - SwiftApps/modFTdock/app Message-ID: <20110405182443.51E959CC94@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-05 13:24:43 -0500 (Tue, 05 Apr 2011) New Revision: 4280 Modified: SwiftApps/modFTdock/app/modftdock.sh Log: minor Modified: SwiftApps/modFTdock/app/modftdock.sh =================================================================== --- SwiftApps/modFTdock/app/modftdock.sh 2011-04-05 18:23:32 UTC (rev 4279) +++ SwiftApps/modFTdock/app/modftdock.sh 2011-04-05 18:24:43 UTC (rev 4280) @@ -1,8 +1,5 @@ #! /bin/bash - - -#commented the following for the time being oomlog=/tmp/oom.log #oomlog=/lustre/beagle/$USER/oom.log host=$(hostname -s) @@ -34,6 +31,7 @@ done #/lustre/beagle/wilde/mp/mp01/app/modftdock${version} $* & +#Put the path of your own modftdock location /home/ketan/SwiftApps/modFTdock/app/modftdock${version} $* & dockpid=$! From ketan at ci.uchicago.edu Tue Apr 5 13:25:16 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Tue, 5 Apr 2011 13:25:16 -0500 (CDT) Subject: [Swift-commit] r4281 - SwiftApps/modFTdock Message-ID: <20110405182516.66EE69CC94@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-05 13:25:16 -0500 (Tue, 05 Apr 2011) New Revision: 4281 Modified: SwiftApps/modFTdock/run.sh Log: minor Modified: SwiftApps/modFTdock/run.sh =================================================================== --- SwiftApps/modFTdock/run.sh 2011-04-05 18:24:43 UTC (rev 4280) +++ SwiftApps/modFTdock/run.sh 2011-04-05 18:25:16 UTC (rev 4281) @@ -6,5 +6,5 @@ #short run for testing purpose swift -config cf -tc.file tc -sites.file sites-beagle-small.xml ftdock.swift -n=1 -list=pdb.list.1 -grid=10 -#nohup execution for long runs +#nohup execution for production runs #SWIFT_HEAP_MAX=6000M nohup swift -config cf -tc.file tc -sites.file sites-beagle.xml ftdock.swift -n=100 -list=pdb.list.100 -grid=0.5 >std.out 2>std.err < /dev/null & From ketan at ci.uchicago.edu Tue Apr 5 14:09:29 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Tue, 5 Apr 2011 14:09:29 -0500 (CDT) Subject: [Swift-commit] r4282 - SwiftApps/modFTdock Message-ID: <20110405190929.E7C3A9CCA0@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-05 14:09:29 -0500 (Tue, 05 Apr 2011) New Revision: 4282 Added: SwiftApps/modFTdock/README Modified: SwiftApps/modFTdock/tc Log: Added README Added: SwiftApps/modFTdock/README =================================================================== --- SwiftApps/modFTdock/README (rev 0) +++ SwiftApps/modFTdock/README 2011-04-05 19:09:29 UTC (rev 4282) @@ -0,0 +1,21 @@ +This package contains the binaries, data and scripts required to run a production grade modFTdock application on Beagle supercomouter of CI/Argonne. The following list provides a brief description of files and directories found in this package: + +cf,tc: Configuration and Transformation files for Swift execution. Change path of executable on *tc* + +pdb.list.100, pdb.list.1: A 100 and 1 element text list of proteins to be processed. Note that the extensions on the file names are ripped off of the names. + +input/: Contains the input data in the form of a list of protein (RNA) files + +app/: Folder containing application binary executables and their wrappers + +app/modftdock.sh: A wrapper on modFTdock binaries. Takes care of arguments and memory status on Beagle + +app/modftdock32, app/modftdock64: The modFTdock binary executables, 32 and 64 bit versions + +run.sh: This file contains commandlines to execute runs. Copy and paste the one of your choice on commandline + +sites-beagle.xml: A sites configuration file pre-configured for longer runs; change the workdir location + +sites-beagle-small.xml: A sites configuration file pre-configured for shorter runs; change the workdir location + +ftdock.swift: The Swiftscript file for ftdock application Modified: SwiftApps/modFTdock/tc =================================================================== --- SwiftApps/modFTdock/tc 2011-04-05 18:25:16 UTC (rev 4281) +++ SwiftApps/modFTdock/tc 2011-04-05 19:09:29 UTC (rev 4282) @@ -1,3 +1,2 @@ #Put a *complete* path of modftdock.sh here -pbs modftdock /home/ketan/SwiftApps/modFTdock/app/modftdock.sh null null GLOBUS::maxwalltime="00:10:00" -#localhost modftdock /home/ketan/SwiftApps/modFTdock/app/modftdock.sh null null GLOBUS::maxwalltime="00:10:00" +pbs modftdock /home/ketan/SwiftApps/modFTdock/app/modftdock.sh null null GLOBUS::maxwalltime="02:00:00" From ketan at ci.uchicago.edu Tue Apr 5 14:11:19 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Tue, 5 Apr 2011 14:11:19 -0500 (CDT) Subject: [Swift-commit] r4283 - SwiftApps/modFTdock Message-ID: <20110405191119.044B69CCA0@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-05 14:11:18 -0500 (Tue, 05 Apr 2011) New Revision: 4283 Modified: SwiftApps/modFTdock/tc Log: Added README Modified: SwiftApps/modFTdock/tc =================================================================== --- SwiftApps/modFTdock/tc 2011-04-05 19:09:29 UTC (rev 4282) +++ SwiftApps/modFTdock/tc 2011-04-05 19:11:18 UTC (rev 4283) @@ -1,2 +1,6 @@ -#Put a *complete* path of modftdock.sh here -pbs modftdock /home/ketan/SwiftApps/modFTdock/app/modftdock.sh null null GLOBUS::maxwalltime="02:00:00" +#Put a *complete* path of modftdock.sh + +pbs modftdock /home/ketan/SwiftApps/modFTdock/app/modftdock.sh null null GLOBUS::maxwalltime="00:10:00" + +#uncomment the following for production runs +#pbs modftdock /home/ketan/SwiftApps/modFTdock/app/modftdock.sh null null GLOBUS::maxwalltime="02:00:00" From skenny at ci.uchicago.edu Tue Apr 5 20:17:49 2011 From: skenny at ci.uchicago.edu (skenny at ci.uchicago.edu) Date: Tue, 5 Apr 2011 20:17:49 -0500 (CDT) Subject: [Swift-commit] r4287 - branches/release-0.92/tests/language/working Message-ID: <20110406011749.D71B99CCA0@svn.ci.uchicago.edu> Author: skenny Date: 2011-04-05 20:17:49 -0500 (Tue, 05 Apr 2011) New Revision: 4287 Added: branches/release-0.92/tests/language/working/063-duplicate-submission.swift Log: testing for duplicate submission bug found in release 092 Added: branches/release-0.92/tests/language/working/063-duplicate-submission.swift =================================================================== --- branches/release-0.92/tests/language/working/063-duplicate-submission.swift (rev 0) +++ branches/release-0.92/tests/language/working/063-duplicate-submission.swift 2011-04-06 01:17:49 UTC (rev 4287) @@ -0,0 +1,11 @@ +int arr[]; + +foreach a,i in [0:9] { + arr[i] = i; +} + +trace("arr",arr); + +foreach a,i in arr { + trace("for", a,i); +} From skenny at ci.uchicago.edu Tue Apr 5 23:06:01 2011 From: skenny at ci.uchicago.edu (skenny at ci.uchicago.edu) Date: Tue, 5 Apr 2011 23:06:01 -0500 (CDT) Subject: [Swift-commit] r4288 - branches/release-0.92/tests/language/working Message-ID: <20110406040601.233C69CCA0@svn.ci.uchicago.edu> Author: skenny Date: 2011-04-05 23:06:00 -0500 (Tue, 05 Apr 2011) New Revision: 4288 Added: branches/release-0.92/tests/language/working/063-duplicate-submission.swift Removed: branches/release-0.92/tests/language/working/063-duplicate-submission.swift Log: fails for 092 release and succeeds for the new patched version Deleted: branches/release-0.92/tests/language/working/063-duplicate-submission.swift =================================================================== --- branches/release-0.92/tests/language/working/063-duplicate-submission.swift 2011-04-06 01:17:49 UTC (rev 4287) +++ branches/release-0.92/tests/language/working/063-duplicate-submission.swift 2011-04-06 04:06:00 UTC (rev 4288) @@ -1,11 +0,0 @@ -int arr[]; - -foreach a,i in [0:9] { - arr[i] = i; -} - -trace("arr",arr); - -foreach a,i in arr { - trace("for", a,i); -} Added: branches/release-0.92/tests/language/working/063-duplicate-submission.swift =================================================================== --- branches/release-0.92/tests/language/working/063-duplicate-submission.swift (rev 0) +++ branches/release-0.92/tests/language/working/063-duplicate-submission.swift 2011-04-06 04:06:00 UTC (rev 4288) @@ -0,0 +1,24 @@ +type file; +int arr[]; + +type messagefile; + +app (messagefile t) greeting() { + echo "Hello, world!" stdout=@filename(t); +} + +foreach a,i in [0:2] { + arr[i] = i; +} + +string s[] = [ "0out.txt", "1out.txt", "2out.txt" ]; + +messagefile f[] ; + +trace("arr",arr); + +foreach a,i in arr { +f[a]=greeting(); +trace(@filename(f[a])); + trace("for", a,i); +} From skenny at ci.uchicago.edu Wed Apr 6 11:50:58 2011 From: skenny at ci.uchicago.edu (skenny at ci.uchicago.edu) Date: Wed, 6 Apr 2011 11:50:58 -0500 (CDT) Subject: [Swift-commit] r4289 - branches/release-0.92/tests/providers/local-sge-coasters Message-ID: <20110406165058.167F99CCA0@svn.ci.uchicago.edu> Author: skenny Date: 2011-04-06 11:50:57 -0500 (Wed, 06 Apr 2011) New Revision: 4289 Added: branches/release-0.92/tests/providers/local-sge-coasters/002-duplicate-submission-local-sge-coasters.swift Log: tests duplicate submission bug for indexing in foreach loop, 092 release Added: branches/release-0.92/tests/providers/local-sge-coasters/002-duplicate-submission-local-sge-coasters.swift =================================================================== --- branches/release-0.92/tests/providers/local-sge-coasters/002-duplicate-submission-local-sge-coasters.swift (rev 0) +++ branches/release-0.92/tests/providers/local-sge-coasters/002-duplicate-submission-local-sge-coasters.swift 2011-04-06 16:50:57 UTC (rev 4289) @@ -0,0 +1,24 @@ +type file; +int arr[]; + +type messagefile; + +app (messagefile t) greeting() { + echo "Hello, world!" stdout=@filename(t); +} + +foreach a,i in [0:2] { + arr[i] = i; +} + +string s[] = [ "0out.txt", "1out.txt", "2out.txt" ]; + +messagefile f[] ; + +trace("arr",arr); + +foreach a,i in arr { +f[a]=greeting(); +trace(@filename(f[a])); + trace("for", a,i); +} From skenny at ci.uchicago.edu Wed Apr 6 11:59:48 2011 From: skenny at ci.uchicago.edu (skenny at ci.uchicago.edu) Date: Wed, 6 Apr 2011 11:59:48 -0500 (CDT) Subject: [Swift-commit] r4290 - branches/release-0.92/tests/providers/local-sge-coasters Message-ID: <20110406165948.F35B49CCA0@svn.ci.uchicago.edu> Author: skenny Date: 2011-04-06 11:59:47 -0500 (Wed, 06 Apr 2011) New Revision: 4290 Added: branches/release-0.92/tests/providers/local-sge-coasters/002-duplicate-submission-local-sge-coasters.timeout Log: timeout needed so default is not used (too short for queue) Added: branches/release-0.92/tests/providers/local-sge-coasters/002-duplicate-submission-local-sge-coasters.timeout =================================================================== --- branches/release-0.92/tests/providers/local-sge-coasters/002-duplicate-submission-local-sge-coasters.timeout (rev 0) +++ branches/release-0.92/tests/providers/local-sge-coasters/002-duplicate-submission-local-sge-coasters.timeout 2011-04-06 16:59:47 UTC (rev 4290) @@ -0,0 +1,2 @@ +7200 + From ketan at ci.uchicago.edu Wed Apr 6 15:33:26 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Wed, 6 Apr 2011 15:33:26 -0500 (CDT) Subject: [Swift-commit] r4292 - in SwiftApps/modFTdock/input: . indata Message-ID: <20110406203326.E9B1B9CCA0@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-06 15:33:26 -0500 (Wed, 06 Apr 2011) New Revision: 4292 Added: SwiftApps/modFTdock/input/indata/ SwiftApps/modFTdock/input/indata/1a7f-1.pdb SwiftApps/modFTdock/input/indata/1aiu-1.pdb SwiftApps/modFTdock/input/indata/1bmp-1.pdb SwiftApps/modFTdock/input/indata/1cdz-1.pdb SwiftApps/modFTdock/input/indata/1cr8-1.pdb SwiftApps/modFTdock/input/indata/1dv0-1.pdb SwiftApps/modFTdock/input/indata/1j0w-1.pdb SwiftApps/modFTdock/input/indata/1j55-1.pdb SwiftApps/modFTdock/input/indata/1k8u-1.pdb SwiftApps/modFTdock/input/indata/1mfg-1.pdb SwiftApps/modFTdock/input/indata/1mil-1.pdb SwiftApps/modFTdock/input/indata/1mj4-1.pdb SwiftApps/modFTdock/input/indata/1oxn-1.pdb SwiftApps/modFTdock/input/indata/1oxn-2.pdb SwiftApps/modFTdock/input/indata/1oxn-3.pdb SwiftApps/modFTdock/input/indata/1oxn-4.pdb SwiftApps/modFTdock/input/indata/1oxn-5.pdb SwiftApps/modFTdock/input/indata/1oxn-6.pdb SwiftApps/modFTdock/input/indata/1oxn-9.pdb SwiftApps/modFTdock/input/indata/1q02-1.pdb SwiftApps/modFTdock/input/indata/1waq-1.pdb SwiftApps/modFTdock/input/indata/1wgl-1.pdb SwiftApps/modFTdock/input/indata/1wm2-1.pdb SwiftApps/modFTdock/input/indata/1xed-3.pdb SwiftApps/modFTdock/input/indata/1xed-4.pdb SwiftApps/modFTdock/input/indata/1zt3-1.pdb SwiftApps/modFTdock/input/indata/2c60-1.pdb SwiftApps/modFTdock/input/indata/2cq7-1.pdb SwiftApps/modFTdock/input/indata/2cwb-1.pdb SwiftApps/modFTdock/input/indata/2did-1.pdb SwiftApps/modFTdock/input/indata/2dk1-1.pdb SwiftApps/modFTdock/input/indata/2do1-1.pdb SwiftApps/modFTdock/input/indata/2dq5-1.pdb SwiftApps/modFTdock/input/indata/2e3v-1.pdb SwiftApps/modFTdock/input/indata/2e3v-2.pdb SwiftApps/modFTdock/input/indata/2e3v-3.pdb SwiftApps/modFTdock/input/indata/2eaq-1.pdb SwiftApps/modFTdock/input/indata/2frg-1.pdb SwiftApps/modFTdock/input/indata/2g1l-1.pdb SwiftApps/modFTdock/input/indata/2g7r-1.pdb SwiftApps/modFTdock/input/indata/2g7r-2.pdb SwiftApps/modFTdock/input/indata/2jil-1.pdb SwiftApps/modFTdock/input/indata/2jil-2.pdb SwiftApps/modFTdock/input/indata/2jrj-1.pdb SwiftApps/modFTdock/input/indata/2jy5-1.pdb SwiftApps/modFTdock/input/indata/2kb9-1.pdb SwiftApps/modFTdock/input/indata/2kqb-1.pdb SwiftApps/modFTdock/input/indata/2ksg-1.pdb SwiftApps/modFTdock/input/indata/2no2-1.pdb SwiftApps/modFTdock/input/indata/2of5-8.pdb SwiftApps/modFTdock/input/indata/2of5-9.pdb SwiftApps/modFTdock/input/indata/2pe8-1.pdb SwiftApps/modFTdock/input/indata/2pnt-1.pdb SwiftApps/modFTdock/input/indata/2pnt-2.pdb SwiftApps/modFTdock/input/indata/2rii-2.pdb SwiftApps/modFTdock/input/indata/2rii-3.pdb SwiftApps/modFTdock/input/indata/2rnl-1.pdb SwiftApps/modFTdock/input/indata/2v3s-1.pdb SwiftApps/modFTdock/input/indata/2v3s-2.pdb SwiftApps/modFTdock/input/indata/2vc8-1.pdb SwiftApps/modFTdock/input/indata/2vp7-1.pdb SwiftApps/modFTdock/input/indata/2vwr-1.pdb SwiftApps/modFTdock/input/indata/2x57-2.pdb SwiftApps/modFTdock/input/indata/2x57-3.pdb SwiftApps/modFTdock/input/indata/2x57-4.pdb SwiftApps/modFTdock/input/indata/2x7a-2.pdb SwiftApps/modFTdock/input/indata/2x7a-4.pdb SwiftApps/modFTdock/input/indata/2yx8-1.pdb SwiftApps/modFTdock/input/indata/2yx8-2.pdb SwiftApps/modFTdock/input/indata/2yy0-1.pdb SwiftApps/modFTdock/input/indata/2yy0-2.pdb SwiftApps/modFTdock/input/indata/2z0b-2.pdb SwiftApps/modFTdock/input/indata/2z0b-5.pdb SwiftApps/modFTdock/input/indata/2z17-1.pdb SwiftApps/modFTdock/input/indata/3brt-2.pdb SwiftApps/modFTdock/input/indata/3brt-3.pdb SwiftApps/modFTdock/input/indata/3brt-4.pdb SwiftApps/modFTdock/input/indata/3brt-5.pdb SwiftApps/modFTdock/input/indata/3ci9-1.pdb SwiftApps/modFTdock/input/indata/3eq5-1.pdb SwiftApps/modFTdock/input/indata/3eq5-2.pdb SwiftApps/modFTdock/input/indata/3eq5-3.pdb SwiftApps/modFTdock/input/indata/3eq5-4.pdb SwiftApps/modFTdock/input/indata/3eq5-5.pdb SwiftApps/modFTdock/input/indata/3eq5-6.pdb SwiftApps/modFTdock/input/indata/3eq5-7.pdb SwiftApps/modFTdock/input/indata/3eq5-8.pdb SwiftApps/modFTdock/input/indata/3eq5-9.pdb SwiftApps/modFTdock/input/indata/3fxt-3.pdb SwiftApps/modFTdock/input/indata/3fxt-5.pdb SwiftApps/modFTdock/input/indata/3g36-1.pdb SwiftApps/modFTdock/input/indata/3h8q-2.pdb SwiftApps/modFTdock/input/indata/3hm5-1.pdb SwiftApps/modFTdock/input/indata/3iez-1.pdb SwiftApps/modFTdock/input/indata/3isu-1.pdb SwiftApps/modFTdock/input/indata/3kgr-1.pdb SwiftApps/modFTdock/input/indata/3kgr-2.pdb SwiftApps/modFTdock/input/indata/3kgr-3.pdb SwiftApps/modFTdock/input/indata/3kqi-2.pdb SwiftApps/modFTdock/input/indata/3ktr-1.pdb Log: pruned input Added: SwiftApps/modFTdock/input/indata/1a7f-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1a7f-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1a7f-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,753 @@ +ATOM 1 N GLY A 1 0.074 3.305 12.661 1.00 0.00 N +ATOM 2 CA GLY A 1 0.320 3.899 11.317 1.00 0.00 C +ATOM 3 C GLY A 1 0.777 2.805 10.350 1.00 0.00 C +ATOM 4 O GLY A 1 1.476 1.883 10.729 1.00 0.00 O +ATOM 5 H1 GLY A 1 0.795 2.584 12.859 1.00 0.00 H +ATOM 6 H2 GLY A 1 0.121 4.053 13.384 1.00 0.00 H +ATOM 7 H3 GLY A 1 -0.867 2.864 12.678 1.00 0.00 H +ATOM 8 HA2 GLY A 1 -0.591 4.349 10.949 1.00 0.00 H +ATOM 9 HA3 GLY A 1 1.089 4.653 11.390 1.00 0.00 H +ATOM 10 N ILE A 2 0.386 2.901 9.105 1.00 0.00 N +ATOM 11 CA ILE A 2 0.793 1.870 8.105 1.00 0.00 C +ATOM 12 C ILE A 2 1.508 2.542 6.931 1.00 0.00 C +ATOM 13 O ILE A 2 2.588 2.138 6.541 1.00 0.00 O +ATOM 14 CB ILE A 2 -0.439 1.134 7.599 1.00 0.00 C +ATOM 15 CG1 ILE A 2 -1.243 0.594 8.792 1.00 0.00 C +ATOM 16 CG2 ILE A 2 -0.011 -0.031 6.692 1.00 0.00 C +ATOM 17 CD1 ILE A 2 -2.400 1.545 9.106 1.00 0.00 C +ATOM 18 H ILE A 2 -0.176 3.654 8.826 1.00 0.00 H +ATOM 19 HA ILE A 2 1.449 1.166 8.566 1.00 0.00 H +ATOM 20 HB ILE A 2 -1.039 1.817 7.038 1.00 0.00 H +ATOM 21 HG12 ILE A 2 -1.637 -0.382 8.548 1.00 0.00 H +ATOM 22 HG13 ILE A 2 -0.600 0.517 9.656 1.00 0.00 H +ATOM 23 HG21 ILE A 2 1.027 0.085 6.415 1.00 0.00 H +ATOM 24 HG22 ILE A 2 -0.140 -0.966 7.217 1.00 0.00 H +ATOM 25 HG23 ILE A 2 -0.622 -0.034 5.801 1.00 0.00 H +ATOM 26 HD11 ILE A 2 -2.007 2.524 9.339 1.00 0.00 H +ATOM 27 HD12 ILE A 2 -3.051 1.615 8.247 1.00 0.00 H +ATOM 28 HD13 ILE A 2 -2.956 1.169 9.951 1.00 0.00 H +ATOM 29 N VAL A 3 0.915 3.563 6.367 1.00 0.00 N +ATOM 30 CA VAL A 3 1.555 4.267 5.218 1.00 0.00 C +ATOM 31 C VAL A 3 2.716 5.117 5.736 1.00 0.00 C +ATOM 32 O VAL A 3 3.846 4.967 5.311 1.00 0.00 O +ATOM 33 CB VAL A 3 0.528 5.173 4.529 1.00 0.00 C +ATOM 34 CG1 VAL A 3 1.149 5.784 3.273 1.00 0.00 C +ATOM 35 CG2 VAL A 3 -0.703 4.351 4.135 1.00 0.00 C +ATOM 36 H VAL A 3 0.045 3.868 6.703 1.00 0.00 H +ATOM 37 HA VAL A 3 1.929 3.542 4.511 1.00 0.00 H +ATOM 38 HB VAL A 3 0.235 5.963 5.206 1.00 0.00 H +ATOM 39 HG11 VAL A 3 2.086 6.256 3.528 1.00 0.00 H +ATOM 40 HG12 VAL A 3 1.324 5.007 2.544 1.00 0.00 H +ATOM 41 HG13 VAL A 3 0.476 6.520 2.861 1.00 0.00 H +ATOM 42 HG21 VAL A 3 -0.823 3.525 4.819 1.00 0.00 H +ATOM 43 HG22 VAL A 3 -1.581 4.979 4.173 1.00 0.00 H +ATOM 44 HG23 VAL A 3 -0.576 3.973 3.132 1.00 0.00 H +ATOM 45 N GLU A 4 2.441 6.005 6.656 1.00 0.00 N +ATOM 46 CA GLU A 4 3.519 6.869 7.219 1.00 0.00 C +ATOM 47 C GLU A 4 4.582 6.002 7.909 1.00 0.00 C +ATOM 48 O GLU A 4 5.690 6.446 8.145 1.00 0.00 O +ATOM 49 CB GLU A 4 2.911 7.836 8.238 1.00 0.00 C +ATOM 50 CG GLU A 4 3.696 9.150 8.225 1.00 0.00 C +ATOM 51 CD GLU A 4 4.809 9.089 9.273 1.00 0.00 C +ATOM 52 OE1 GLU A 4 4.518 8.709 10.395 1.00 0.00 O +ATOM 53 OE2 GLU A 4 5.933 9.422 8.935 1.00 0.00 O +ATOM 54 H GLU A 4 1.522 6.099 6.981 1.00 0.00 H +ATOM 55 HA GLU A 4 3.979 7.432 6.422 1.00 0.00 H +ATOM 56 HB2 GLU A 4 1.880 8.030 7.979 1.00 0.00 H +ATOM 57 HB3 GLU A 4 2.960 7.400 9.223 1.00 0.00 H +ATOM 58 HG2 GLU A 4 4.129 9.301 7.246 1.00 0.00 H +ATOM 59 HG3 GLU A 4 3.032 9.969 8.455 1.00 0.00 H +ATOM 60 N GLN A 5 4.256 4.772 8.238 1.00 0.00 N +ATOM 61 CA GLN A 5 5.246 3.879 8.916 1.00 0.00 C +ATOM 62 C GLN A 5 6.505 3.741 8.052 1.00 0.00 C +ATOM 63 O GLN A 5 7.614 3.772 8.553 1.00 0.00 O +ATOM 64 CB GLN A 5 4.621 2.498 9.127 1.00 0.00 C +ATOM 65 CG GLN A 5 5.159 1.881 10.422 1.00 0.00 C +ATOM 66 CD GLN A 5 4.165 2.127 11.560 1.00 0.00 C +ATOM 67 OE1 GLN A 5 3.733 1.201 12.216 1.00 0.00 O +ATOM 68 NE2 GLN A 5 3.781 3.346 11.823 1.00 0.00 N +ATOM 69 H GLN A 5 3.359 4.434 8.044 1.00 0.00 H +ATOM 70 HA GLN A 5 5.513 4.301 9.872 1.00 0.00 H +ATOM 71 HB2 GLN A 5 3.547 2.596 9.192 1.00 0.00 H +ATOM 72 HB3 GLN A 5 4.874 1.859 8.294 1.00 0.00 H +ATOM 73 HG2 GLN A 5 5.292 0.818 10.285 1.00 0.00 H +ATOM 74 HG3 GLN A 5 6.107 2.334 10.671 1.00 0.00 H +ATOM 75 HE21 GLN A 5 4.128 4.095 11.295 1.00 0.00 H +ATOM 76 HE22 GLN A 5 3.146 3.513 12.551 1.00 0.00 H +ATOM 77 N CYS A 6 6.342 3.588 6.760 1.00 0.00 N +ATOM 78 CA CYS A 6 7.532 3.446 5.868 1.00 0.00 C +ATOM 79 C CYS A 6 7.243 4.090 4.505 1.00 0.00 C +ATOM 80 O CYS A 6 7.570 3.543 3.469 1.00 0.00 O +ATOM 81 CB CYS A 6 7.855 1.956 5.690 1.00 0.00 C +ATOM 82 SG CYS A 6 9.253 1.500 6.754 1.00 0.00 S +ATOM 83 H CYS A 6 5.440 3.566 6.379 1.00 0.00 H +ATOM 84 HA CYS A 6 8.374 3.943 6.321 1.00 0.00 H +ATOM 85 HB2 CYS A 6 6.992 1.369 5.962 1.00 0.00 H +ATOM 86 HB3 CYS A 6 8.111 1.759 4.660 1.00 0.00 H +ATOM 87 N CYS A 7 6.642 5.255 4.502 1.00 0.00 N +ATOM 88 CA CYS A 7 6.341 5.945 3.210 1.00 0.00 C +ATOM 89 C CYS A 7 7.655 6.275 2.499 1.00 0.00 C +ATOM 90 O CYS A 7 7.787 6.097 1.303 1.00 0.00 O +ATOM 91 CB CYS A 7 5.576 7.245 3.486 1.00 0.00 C +ATOM 92 SG CYS A 7 4.357 7.528 2.177 1.00 0.00 S +ATOM 93 H CYS A 7 6.395 5.680 5.350 1.00 0.00 H +ATOM 94 HA CYS A 7 5.745 5.295 2.586 1.00 0.00 H +ATOM 95 HB2 CYS A 7 5.071 7.168 4.437 1.00 0.00 H +ATOM 96 HB3 CYS A 7 6.271 8.072 3.515 1.00 0.00 H +ATOM 97 N THR A 8 8.625 6.754 3.234 1.00 0.00 N +ATOM 98 CA THR A 8 9.939 7.103 2.621 1.00 0.00 C +ATOM 99 C THR A 8 10.921 5.946 2.821 1.00 0.00 C +ATOM 100 O THR A 8 12.118 6.147 2.911 1.00 0.00 O +ATOM 101 CB THR A 8 10.492 8.361 3.293 1.00 0.00 C +ATOM 102 OG1 THR A 8 9.417 9.223 3.637 1.00 0.00 O +ATOM 103 CG2 THR A 8 11.439 9.081 2.332 1.00 0.00 C +ATOM 104 H THR A 8 8.487 6.886 4.196 1.00 0.00 H +ATOM 105 HA THR A 8 9.807 7.287 1.564 1.00 0.00 H +ATOM 106 HB THR A 8 11.033 8.085 4.186 1.00 0.00 H +ATOM 107 HG1 THR A 8 9.758 9.905 4.221 1.00 0.00 H +ATOM 108 HG21 THR A 8 11.872 8.365 1.649 1.00 0.00 H +ATOM 109 HG22 THR A 8 10.890 9.825 1.774 1.00 0.00 H +ATOM 110 HG23 THR A 8 12.225 9.562 2.895 1.00 0.00 H +ATOM 111 N SER A 9 10.422 4.738 2.892 1.00 0.00 N +ATOM 112 CA SER A 9 11.317 3.561 3.085 1.00 0.00 C +ATOM 113 C SER A 9 10.576 2.290 2.668 1.00 0.00 C +ATOM 114 O SER A 9 9.476 2.347 2.151 1.00 0.00 O +ATOM 115 CB SER A 9 11.716 3.460 4.558 1.00 0.00 C +ATOM 116 OG SER A 9 10.623 3.873 5.368 1.00 0.00 O +ATOM 117 H SER A 9 9.456 4.604 2.815 1.00 0.00 H +ATOM 118 HA SER A 9 12.203 3.677 2.477 1.00 0.00 H +ATOM 119 HB2 SER A 9 11.970 2.441 4.796 1.00 0.00 H +ATOM 120 HB3 SER A 9 12.573 4.095 4.742 1.00 0.00 H +ATOM 121 HG SER A 9 10.972 4.129 6.226 1.00 0.00 H +ATOM 122 N ILE A 10 11.173 1.149 2.882 1.00 0.00 N +ATOM 123 CA ILE A 10 10.514 -0.139 2.492 1.00 0.00 C +ATOM 124 C ILE A 10 10.388 -1.012 3.745 1.00 0.00 C +ATOM 125 O ILE A 10 11.333 -1.652 4.163 1.00 0.00 O +ATOM 126 CB ILE A 10 11.341 -0.884 1.409 1.00 0.00 C +ATOM 127 CG1 ILE A 10 12.367 0.062 0.750 1.00 0.00 C +ATOM 128 CG2 ILE A 10 10.397 -1.420 0.326 1.00 0.00 C +ATOM 129 CD1 ILE A 10 13.222 -0.706 -0.260 1.00 0.00 C +ATOM 130 H ILE A 10 12.062 1.134 3.295 1.00 0.00 H +ATOM 131 HA ILE A 10 9.525 0.074 2.109 1.00 0.00 H +ATOM 132 HB ILE A 10 11.861 -1.714 1.868 1.00 0.00 H +ATOM 133 HG12 ILE A 10 11.843 0.859 0.243 1.00 0.00 H +ATOM 134 HG13 ILE A 10 13.006 0.482 1.512 1.00 0.00 H +ATOM 135 HG21 ILE A 10 9.410 -1.557 0.742 1.00 0.00 H +ATOM 136 HG22 ILE A 10 10.350 -0.713 -0.491 1.00 0.00 H +ATOM 137 HG23 ILE A 10 10.769 -2.367 -0.039 1.00 0.00 H +ATOM 138 HD11 ILE A 10 12.579 -1.208 -0.967 1.00 0.00 H +ATOM 139 HD12 ILE A 10 13.864 -0.014 -0.783 1.00 0.00 H +ATOM 140 HD13 ILE A 10 13.825 -1.435 0.261 1.00 0.00 H +ATOM 141 N CYS A 11 9.230 -1.017 4.359 1.00 0.00 N +ATOM 142 CA CYS A 11 9.033 -1.821 5.604 1.00 0.00 C +ATOM 143 C CYS A 11 8.681 -3.276 5.253 1.00 0.00 C +ATOM 144 O CYS A 11 9.548 -4.127 5.200 1.00 0.00 O +ATOM 145 CB CYS A 11 7.911 -1.186 6.438 1.00 0.00 C +ATOM 146 SG CYS A 11 8.619 -0.144 7.739 1.00 0.00 S +ATOM 147 H CYS A 11 8.491 -0.477 4.009 1.00 0.00 H +ATOM 148 HA CYS A 11 9.951 -1.813 6.174 1.00 0.00 H +ATOM 149 HB2 CYS A 11 7.290 -0.579 5.797 1.00 0.00 H +ATOM 150 HB3 CYS A 11 7.312 -1.964 6.886 1.00 0.00 H +ATOM 151 N SER A 12 7.420 -3.576 5.025 1.00 0.00 N +ATOM 152 CA SER A 12 7.033 -4.981 4.694 1.00 0.00 C +ATOM 153 C SER A 12 5.547 -5.042 4.328 1.00 0.00 C +ATOM 154 O SER A 12 4.748 -4.248 4.789 1.00 0.00 O +ATOM 155 CB SER A 12 7.296 -5.877 5.905 1.00 0.00 C +ATOM 156 OG SER A 12 8.634 -6.352 5.856 1.00 0.00 O +ATOM 157 H SER A 12 6.733 -2.881 5.078 1.00 0.00 H +ATOM 158 HA SER A 12 7.622 -5.327 3.857 1.00 0.00 H +ATOM 159 HB2 SER A 12 7.154 -5.311 6.810 1.00 0.00 H +ATOM 160 HB3 SER A 12 6.605 -6.709 5.891 1.00 0.00 H +ATOM 161 HG SER A 12 8.740 -7.013 6.544 1.00 0.00 H +ATOM 162 N LEU A 13 5.178 -5.984 3.499 1.00 0.00 N +ATOM 163 CA LEU A 13 3.749 -6.119 3.083 1.00 0.00 C +ATOM 164 C LEU A 13 2.890 -6.543 4.279 1.00 0.00 C +ATOM 165 O LEU A 13 1.689 -6.352 4.279 1.00 0.00 O +ATOM 166 CB LEU A 13 3.655 -7.173 1.959 1.00 0.00 C +ATOM 167 CG LEU A 13 2.198 -7.442 1.500 1.00 0.00 C +ATOM 168 CD1 LEU A 13 1.501 -8.407 2.469 1.00 0.00 C +ATOM 169 CD2 LEU A 13 1.391 -6.135 1.395 1.00 0.00 C +ATOM 170 H LEU A 13 5.846 -6.607 3.145 1.00 0.00 H +ATOM 171 HA LEU A 13 3.399 -5.169 2.714 1.00 0.00 H +ATOM 172 HB2 LEU A 13 4.225 -6.829 1.110 1.00 0.00 H +ATOM 173 HB3 LEU A 13 4.086 -8.098 2.314 1.00 0.00 H +ATOM 174 HG LEU A 13 2.231 -7.908 0.524 1.00 0.00 H +ATOM 175 HD11 LEU A 13 2.214 -8.772 3.193 1.00 0.00 H +ATOM 176 HD12 LEU A 13 0.701 -7.894 2.984 1.00 0.00 H +ATOM 177 HD13 LEU A 13 1.094 -9.240 1.916 1.00 0.00 H +ATOM 178 HD21 LEU A 13 2.066 -5.298 1.327 1.00 0.00 H +ATOM 179 HD22 LEU A 13 0.773 -6.168 0.512 1.00 0.00 H +ATOM 180 HD23 LEU A 13 0.767 -6.025 2.269 1.00 0.00 H +ATOM 181 N TYR A 14 3.483 -7.128 5.294 1.00 0.00 N +ATOM 182 CA TYR A 14 2.685 -7.572 6.478 1.00 0.00 C +ATOM 183 C TYR A 14 1.890 -6.379 7.054 1.00 0.00 C +ATOM 184 O TYR A 14 0.865 -6.559 7.686 1.00 0.00 O +ATOM 185 CB TYR A 14 3.643 -8.230 7.517 1.00 0.00 C +ATOM 186 CG TYR A 14 3.864 -7.374 8.753 1.00 0.00 C +ATOM 187 CD1 TYR A 14 4.743 -6.284 8.709 1.00 0.00 C +ATOM 188 CD2 TYR A 14 3.187 -7.679 9.939 1.00 0.00 C +ATOM 189 CE1 TYR A 14 4.943 -5.501 9.851 1.00 0.00 C +ATOM 190 CE2 TYR A 14 3.388 -6.896 11.082 1.00 0.00 C +ATOM 191 CZ TYR A 14 4.266 -5.807 11.038 1.00 0.00 C +ATOM 192 OH TYR A 14 4.463 -5.036 12.165 1.00 0.00 O +ATOM 193 H TYR A 14 4.451 -7.283 5.273 1.00 0.00 H +ATOM 194 HA TYR A 14 1.976 -8.319 6.145 1.00 0.00 H +ATOM 195 HB2 TYR A 14 3.224 -9.175 7.825 1.00 0.00 H +ATOM 196 HB3 TYR A 14 4.596 -8.412 7.041 1.00 0.00 H +ATOM 197 HD1 TYR A 14 5.265 -6.049 7.794 1.00 0.00 H +ATOM 198 HD2 TYR A 14 2.509 -8.519 9.972 1.00 0.00 H +ATOM 199 HE1 TYR A 14 5.621 -4.661 9.818 1.00 0.00 H +ATOM 200 HE2 TYR A 14 2.865 -7.133 11.996 1.00 0.00 H +ATOM 201 HH TYR A 14 3.611 -4.691 12.442 1.00 0.00 H +ATOM 202 N GLN A 15 2.351 -5.171 6.829 1.00 0.00 N +ATOM 203 CA GLN A 15 1.617 -3.980 7.350 1.00 0.00 C +ATOM 204 C GLN A 15 0.429 -3.681 6.435 1.00 0.00 C +ATOM 205 O GLN A 15 -0.679 -3.473 6.892 1.00 0.00 O +ATOM 206 CB GLN A 15 2.551 -2.767 7.385 1.00 0.00 C +ATOM 207 CG GLN A 15 2.043 -1.758 8.421 1.00 0.00 C +ATOM 208 CD GLN A 15 2.788 -1.951 9.747 1.00 0.00 C +ATOM 209 OE1 GLN A 15 3.539 -2.894 9.912 1.00 0.00 O +ATOM 210 NE2 GLN A 15 2.611 -1.087 10.710 1.00 0.00 N +ATOM 211 H GLN A 15 3.174 -5.049 6.309 1.00 0.00 H +ATOM 212 HA GLN A 15 1.258 -4.187 8.349 1.00 0.00 H +ATOM 213 HB2 GLN A 15 3.549 -3.088 7.650 1.00 0.00 H +ATOM 214 HB3 GLN A 15 2.570 -2.300 6.411 1.00 0.00 H +ATOM 215 HG2 GLN A 15 2.212 -0.755 8.056 1.00 0.00 H +ATOM 216 HG3 GLN A 15 0.985 -1.908 8.581 1.00 0.00 H +ATOM 217 HE21 GLN A 15 2.007 -0.327 10.581 1.00 0.00 H +ATOM 218 HE22 GLN A 15 3.080 -1.201 11.563 1.00 0.00 H +ATOM 219 N LEU A 16 0.654 -3.665 5.145 1.00 0.00 N +ATOM 220 CA LEU A 16 -0.456 -3.386 4.188 1.00 0.00 C +ATOM 221 C LEU A 16 -1.495 -4.517 4.239 1.00 0.00 C +ATOM 222 O LEU A 16 -2.599 -4.368 3.754 1.00 0.00 O +ATOM 223 CB LEU A 16 0.107 -3.280 2.768 1.00 0.00 C +ATOM 224 CG LEU A 16 0.376 -1.813 2.430 1.00 0.00 C +ATOM 225 CD1 LEU A 16 1.070 -1.724 1.070 1.00 0.00 C +ATOM 226 CD2 LEU A 16 -0.951 -1.050 2.378 1.00 0.00 C +ATOM 227 H LEU A 16 1.558 -3.840 4.807 1.00 0.00 H +ATOM 228 HA LEU A 16 -0.932 -2.454 4.453 1.00 0.00 H +ATOM 229 HB2 LEU A 16 1.030 -3.839 2.705 1.00 0.00 H +ATOM 230 HB3 LEU A 16 -0.607 -3.683 2.065 1.00 0.00 H +ATOM 231 HG LEU A 16 1.015 -1.380 3.187 1.00 0.00 H +ATOM 232 HD11 LEU A 16 0.607 -2.417 0.384 1.00 0.00 H +ATOM 233 HD12 LEU A 16 0.982 -0.721 0.685 1.00 0.00 H +ATOM 234 HD13 LEU A 16 2.115 -1.976 1.182 1.00 0.00 H +ATOM 235 HD21 LEU A 16 -1.746 -1.730 2.114 1.00 0.00 H +ATOM 236 HD22 LEU A 16 -1.154 -0.616 3.345 1.00 0.00 H +ATOM 237 HD23 LEU A 16 -0.888 -0.267 1.637 1.00 0.00 H +ATOM 238 N GLU A 17 -1.152 -5.645 4.821 1.00 0.00 N +ATOM 239 CA GLU A 17 -2.121 -6.780 4.903 1.00 0.00 C +ATOM 240 C GLU A 17 -3.382 -6.349 5.663 1.00 0.00 C +ATOM 241 O GLU A 17 -4.417 -6.980 5.558 1.00 0.00 O +ATOM 242 CB GLU A 17 -1.466 -7.953 5.635 1.00 0.00 C +ATOM 243 CG GLU A 17 -2.009 -9.273 5.081 1.00 0.00 C +ATOM 244 CD GLU A 17 -3.242 -9.693 5.881 1.00 0.00 C +ATOM 245 OE1 GLU A 17 -3.100 -9.935 7.069 1.00 0.00 O +ATOM 246 OE2 GLU A 17 -4.308 -9.768 5.293 1.00 0.00 O +ATOM 247 H GLU A 17 -0.258 -5.747 5.204 1.00 0.00 H +ATOM 248 HA GLU A 17 -2.396 -7.090 3.905 1.00 0.00 H +ATOM 249 HB2 GLU A 17 -0.396 -7.915 5.492 1.00 0.00 H +ATOM 250 HB3 GLU A 17 -1.691 -7.890 6.690 1.00 0.00 H +ATOM 251 HG2 GLU A 17 -2.277 -9.143 4.042 1.00 0.00 H +ATOM 252 HG3 GLU A 17 -1.250 -10.037 5.164 1.00 0.00 H +ATOM 253 N ASN A 18 -3.309 -5.283 6.427 1.00 0.00 N +ATOM 254 CA ASN A 18 -4.505 -4.820 7.191 1.00 0.00 C +ATOM 255 C ASN A 18 -5.259 -3.751 6.388 1.00 0.00 C +ATOM 256 O ASN A 18 -5.915 -2.895 6.951 1.00 0.00 O +ATOM 257 CB ASN A 18 -4.052 -4.225 8.526 1.00 0.00 C +ATOM 258 CG ASN A 18 -3.520 -5.340 9.429 1.00 0.00 C +ATOM 259 OD1 ASN A 18 -2.885 -6.264 8.962 1.00 0.00 O +ATOM 260 ND2 ASN A 18 -3.755 -5.292 10.711 1.00 0.00 N +ATOM 261 H ASN A 18 -2.467 -4.791 6.503 1.00 0.00 H +ATOM 262 HA ASN A 18 -5.159 -5.658 7.376 1.00 0.00 H +ATOM 263 HB2 ASN A 18 -3.269 -3.500 8.350 1.00 0.00 H +ATOM 264 HB3 ASN A 18 -4.888 -3.743 9.008 1.00 0.00 H +ATOM 265 HD21 ASN A 18 -4.269 -4.548 11.089 1.00 0.00 H +ATOM 266 HD22 ASN A 18 -3.417 -6.000 11.299 1.00 0.00 H +ATOM 267 N TYR A 19 -5.175 -3.797 5.078 1.00 0.00 N +ATOM 268 CA TYR A 19 -5.891 -2.788 4.241 1.00 0.00 C +ATOM 269 C TYR A 19 -6.961 -3.475 3.382 1.00 0.00 C +ATOM 270 O TYR A 19 -7.425 -2.920 2.405 1.00 0.00 O +ATOM 271 CB TYR A 19 -4.887 -2.083 3.325 1.00 0.00 C +ATOM 272 CG TYR A 19 -4.355 -0.852 4.015 1.00 0.00 C +ATOM 273 CD1 TYR A 19 -3.606 -0.980 5.190 1.00 0.00 C +ATOM 274 CD2 TYR A 19 -4.610 0.417 3.481 1.00 0.00 C +ATOM 275 CE1 TYR A 19 -3.110 0.161 5.831 1.00 0.00 C +ATOM 276 CE2 TYR A 19 -4.113 1.559 4.122 1.00 0.00 C +ATOM 277 CZ TYR A 19 -3.364 1.431 5.298 1.00 0.00 C +ATOM 278 OH TYR A 19 -2.875 2.556 5.932 1.00 0.00 O +ATOM 279 H TYR A 19 -4.645 -4.494 4.648 1.00 0.00 H +ATOM 280 HA TYR A 19 -6.361 -2.057 4.883 1.00 0.00 H +ATOM 281 HB2 TYR A 19 -4.069 -2.755 3.104 1.00 0.00 H +ATOM 282 HB3 TYR A 19 -5.376 -1.797 2.406 1.00 0.00 H +ATOM 283 HD1 TYR A 19 -3.411 -1.960 5.601 1.00 0.00 H +ATOM 284 HD2 TYR A 19 -5.188 0.516 2.575 1.00 0.00 H +ATOM 285 HE1 TYR A 19 -2.530 0.063 6.737 1.00 0.00 H +ATOM 286 HE2 TYR A 19 -4.311 2.538 3.711 1.00 0.00 H +ATOM 287 HH TYR A 19 -3.616 3.139 6.112 1.00 0.00 H +ATOM 288 N CYS A 20 -7.358 -4.675 3.737 1.00 0.00 N +ATOM 289 CA CYS A 20 -8.400 -5.388 2.941 1.00 0.00 C +ATOM 290 C CYS A 20 -9.698 -5.458 3.749 1.00 0.00 C +ATOM 291 O CYS A 20 -10.475 -6.385 3.612 1.00 0.00 O +ATOM 292 CB CYS A 20 -7.918 -6.803 2.621 1.00 0.00 C +ATOM 293 SG CYS A 20 -6.921 -6.774 1.111 1.00 0.00 S +ATOM 294 H CYS A 20 -6.975 -5.105 4.529 1.00 0.00 H +ATOM 295 HA CYS A 20 -8.579 -4.852 2.019 1.00 0.00 H +ATOM 296 HB2 CYS A 20 -7.319 -7.173 3.442 1.00 0.00 H +ATOM 297 HB3 CYS A 20 -8.771 -7.451 2.478 1.00 0.00 H +ATOM 298 N ASN A 21 -9.935 -4.484 4.592 1.00 0.00 N +ATOM 299 CA ASN A 21 -11.180 -4.484 5.416 1.00 0.00 C +ATOM 300 C ASN A 21 -12.386 -4.199 4.518 1.00 0.00 C +ATOM 301 O ASN A 21 -12.208 -4.169 3.312 1.00 0.00 O +ATOM 302 CB ASN A 21 -11.079 -3.401 6.494 1.00 0.00 C +ATOM 303 CG ASN A 21 -10.412 -3.982 7.743 1.00 0.00 C +ATOM 304 OD1 ASN A 21 -9.202 -4.073 7.813 1.00 0.00 O +ATOM 305 ND2 ASN A 21 -11.155 -4.379 8.739 1.00 0.00 N +ATOM 306 OXT ASN A 21 -13.466 -4.014 5.054 1.00 0.00 O +ATOM 307 H ASN A 21 -9.293 -3.750 4.682 1.00 0.00 H +ATOM 308 HA ASN A 21 -11.301 -5.449 5.885 1.00 0.00 H +ATOM 309 HB2 ASN A 21 -10.490 -2.576 6.121 1.00 0.00 H +ATOM 310 HB3 ASN A 21 -12.069 -3.052 6.747 1.00 0.00 H +ATOM 311 HD21 ASN A 21 -12.131 -4.305 8.683 1.00 0.00 H +ATOM 312 HD22 ASN A 21 -10.738 -4.752 9.544 1.00 0.00 H +ATOM 314 N PHE B 1 6.204 -3.216 1.503 1.00 0.00 N +ATOM 315 CA PHE B 1 5.535 -4.200 0.603 1.00 0.00 C +ATOM 316 C PHE B 1 6.517 -5.328 0.262 1.00 0.00 C +ATOM 317 O PHE B 1 6.385 -6.438 0.742 1.00 0.00 O +ATOM 318 CB PHE B 1 5.076 -3.487 -0.674 1.00 0.00 C +ATOM 319 CG PHE B 1 4.233 -4.425 -1.503 1.00 0.00 C +ATOM 320 CD1 PHE B 1 2.911 -4.689 -1.135 1.00 0.00 C +ATOM 321 CD2 PHE B 1 4.779 -5.033 -2.635 1.00 0.00 C +ATOM 322 CE1 PHE B 1 2.134 -5.566 -1.901 1.00 0.00 C +ATOM 323 CE2 PHE B 1 4.005 -5.909 -3.402 1.00 0.00 C +ATOM 324 CZ PHE B 1 2.683 -6.176 -3.035 1.00 0.00 C +ATOM 325 H1 PHE B 1 7.064 -2.856 1.045 1.00 0.00 H +ATOM 326 H2 PHE B 1 5.555 -2.426 1.695 1.00 0.00 H +ATOM 327 H3 PHE B 1 6.459 -3.681 2.397 1.00 0.00 H +ATOM 328 HA PHE B 1 4.675 -4.617 1.108 1.00 0.00 H +ATOM 329 HB2 PHE B 1 4.491 -2.619 -0.409 1.00 0.00 H +ATOM 330 HB3 PHE B 1 5.937 -3.177 -1.245 1.00 0.00 H +ATOM 331 HD1 PHE B 1 2.488 -4.216 -0.262 1.00 0.00 H +ATOM 332 HD2 PHE B 1 5.796 -4.822 -2.919 1.00 0.00 H +ATOM 333 HE1 PHE B 1 1.113 -5.771 -1.619 1.00 0.00 H +ATOM 334 HE2 PHE B 1 4.428 -6.379 -4.277 1.00 0.00 H +ATOM 335 HZ PHE B 1 2.087 -6.854 -3.624 1.00 0.00 H +ATOM 336 N VAL B 2 7.513 -5.051 -0.545 1.00 0.00 N +ATOM 337 CA VAL B 2 8.515 -6.109 -0.895 1.00 0.00 C +ATOM 338 C VAL B 2 9.762 -5.478 -1.538 1.00 0.00 C +ATOM 339 O VAL B 2 10.866 -5.950 -1.337 1.00 0.00 O +ATOM 340 CB VAL B 2 7.884 -7.159 -1.830 1.00 0.00 C +ATOM 341 CG1 VAL B 2 7.510 -6.541 -3.184 1.00 0.00 C +ATOM 342 CG2 VAL B 2 8.878 -8.307 -2.043 1.00 0.00 C +ATOM 343 H VAL B 2 7.609 -4.148 -0.901 1.00 0.00 H +ATOM 344 HA VAL B 2 8.816 -6.600 0.017 1.00 0.00 H +ATOM 345 HB VAL B 2 6.990 -7.549 -1.365 1.00 0.00 H +ATOM 346 HG11 VAL B 2 7.687 -5.479 -3.159 1.00 0.00 H +ATOM 347 HG12 VAL B 2 8.105 -6.986 -3.966 1.00 0.00 H +ATOM 348 HG13 VAL B 2 6.463 -6.724 -3.382 1.00 0.00 H +ATOM 349 HG21 VAL B 2 9.886 -7.941 -1.910 1.00 0.00 H +ATOM 350 HG22 VAL B 2 8.681 -9.091 -1.326 1.00 0.00 H +ATOM 351 HG23 VAL B 2 8.767 -8.697 -3.044 1.00 0.00 H +ATOM 352 N ASN B 3 9.609 -4.408 -2.285 1.00 0.00 N +ATOM 353 CA ASN B 3 10.798 -3.749 -2.907 1.00 0.00 C +ATOM 354 C ASN B 3 10.463 -2.291 -3.237 1.00 0.00 C +ATOM 355 O ASN B 3 11.262 -1.401 -3.012 1.00 0.00 O +ATOM 356 CB ASN B 3 11.216 -4.492 -4.181 1.00 0.00 C +ATOM 357 CG ASN B 3 10.057 -4.536 -5.183 1.00 0.00 C +ATOM 358 OD1 ASN B 3 9.718 -3.538 -5.787 1.00 0.00 O +ATOM 359 ND2 ASN B 3 9.447 -5.667 -5.403 1.00 0.00 N +ATOM 360 H ASN B 3 8.720 -4.029 -2.423 1.00 0.00 H +ATOM 361 HA ASN B 3 11.617 -3.769 -2.202 1.00 0.00 H +ATOM 362 HB2 ASN B 3 12.055 -3.983 -4.629 1.00 0.00 H +ATOM 363 HB3 ASN B 3 11.504 -5.500 -3.925 1.00 0.00 H +ATOM 364 HD21 ASN B 3 9.733 -6.477 -4.932 1.00 0.00 H +ATOM 365 HD22 ASN B 3 8.703 -5.707 -6.039 1.00 0.00 H +ATOM 366 N GLN B 4 9.290 -2.040 -3.761 1.00 0.00 N +ATOM 367 CA GLN B 4 8.901 -0.641 -4.098 1.00 0.00 C +ATOM 368 C GLN B 4 8.539 0.100 -2.809 1.00 0.00 C +ATOM 369 O GLN B 4 8.242 -0.510 -1.799 1.00 0.00 O +ATOM 370 CB GLN B 4 7.691 -0.657 -5.039 1.00 0.00 C +ATOM 371 CG GLN B 4 8.161 -0.469 -6.484 1.00 0.00 C +ATOM 372 CD GLN B 4 7.031 -0.846 -7.444 1.00 0.00 C +ATOM 373 OE1 GLN B 4 5.871 -0.800 -7.085 1.00 0.00 O +ATOM 374 NE2 GLN B 4 7.323 -1.218 -8.661 1.00 0.00 N +ATOM 375 H GLN B 4 8.663 -2.772 -3.930 1.00 0.00 H +ATOM 376 HA GLN B 4 9.729 -0.141 -4.579 1.00 0.00 H +ATOM 377 HB2 GLN B 4 7.178 -1.604 -4.947 1.00 0.00 H +ATOM 378 HB3 GLN B 4 7.017 0.145 -4.776 1.00 0.00 H +ATOM 379 HG2 GLN B 4 8.438 0.564 -6.641 1.00 0.00 H +ATOM 380 HG3 GLN B 4 9.015 -1.103 -6.670 1.00 0.00 H +ATOM 381 HE21 GLN B 4 8.257 -1.254 -8.952 1.00 0.00 H +ATOM 382 HE22 GLN B 4 6.605 -1.461 -9.285 1.00 0.00 H +ATOM 383 N HIS B 5 8.564 1.407 -2.838 1.00 0.00 N +ATOM 384 CA HIS B 5 8.226 2.189 -1.616 1.00 0.00 C +ATOM 385 C HIS B 5 6.707 2.331 -1.504 1.00 0.00 C +ATOM 386 O HIS B 5 5.969 1.803 -2.314 1.00 0.00 O +ATOM 387 CB HIS B 5 8.887 3.565 -1.698 1.00 0.00 C +ATOM 388 CG HIS B 5 10.355 3.410 -1.413 1.00 0.00 C +ATOM 389 ND1 HIS B 5 11.265 3.037 -2.390 1.00 0.00 N +ATOM 390 CD2 HIS B 5 11.082 3.546 -0.258 1.00 0.00 C +ATOM 391 CE1 HIS B 5 12.476 2.961 -1.806 1.00 0.00 C +ATOM 392 NE2 HIS B 5 12.420 3.263 -0.507 1.00 0.00 N +ATOM 393 H HIS B 5 8.810 1.873 -3.664 1.00 0.00 H +ATOM 394 HA HIS B 5 8.598 1.667 -0.747 1.00 0.00 H +ATOM 395 HB2 HIS B 5 8.748 3.975 -2.689 1.00 0.00 H +ATOM 396 HB3 HIS B 5 8.444 4.225 -0.967 1.00 0.00 H +ATOM 397 HD1 HIS B 5 11.064 2.862 -3.332 1.00 0.00 H +ATOM 398 HD2 HIS B 5 10.677 3.820 0.700 1.00 0.00 H +ATOM 399 HE1 HIS B 5 13.379 2.677 -2.320 1.00 0.00 H +ATOM 400 N LEU B 6 6.236 3.019 -0.495 1.00 0.00 N +ATOM 401 CA LEU B 6 4.763 3.172 -0.313 1.00 0.00 C +ATOM 402 C LEU B 6 4.393 4.652 -0.168 1.00 0.00 C +ATOM 403 O LEU B 6 3.732 5.045 0.776 1.00 0.00 O +ATOM 404 CB LEU B 6 4.342 2.411 0.944 1.00 0.00 C +ATOM 405 CG LEU B 6 4.712 0.937 0.793 1.00 0.00 C +ATOM 406 CD1 LEU B 6 4.670 0.258 2.164 1.00 0.00 C +ATOM 407 CD2 LEU B 6 3.716 0.255 -0.149 1.00 0.00 C +ATOM 408 H LEU B 6 6.852 3.420 0.153 1.00 0.00 H +ATOM 409 HA LEU B 6 4.252 2.757 -1.170 1.00 0.00 H +ATOM 410 HB2 LEU B 6 4.853 2.823 1.801 1.00 0.00 H +ATOM 411 HB3 LEU B 6 3.277 2.501 1.082 1.00 0.00 H +ATOM 412 HG LEU B 6 5.709 0.860 0.385 1.00 0.00 H +ATOM 413 HD11 LEU B 6 4.833 0.995 2.938 1.00 0.00 H +ATOM 414 HD12 LEU B 6 3.706 -0.206 2.306 1.00 0.00 H +ATOM 415 HD13 LEU B 6 5.443 -0.494 2.216 1.00 0.00 H +ATOM 416 HD21 LEU B 6 3.368 0.968 -0.881 1.00 0.00 H +ATOM 417 HD22 LEU B 6 4.201 -0.569 -0.650 1.00 0.00 H +ATOM 418 HD23 LEU B 6 2.877 -0.113 0.422 1.00 0.00 H +ATOM 419 N CYS B 7 4.804 5.472 -1.101 1.00 0.00 N +ATOM 420 CA CYS B 7 4.467 6.923 -1.021 1.00 0.00 C +ATOM 421 C CYS B 7 4.012 7.410 -2.398 1.00 0.00 C +ATOM 422 O CYS B 7 4.639 7.134 -3.404 1.00 0.00 O +ATOM 423 CB CYS B 7 5.703 7.710 -0.552 1.00 0.00 C +ATOM 424 SG CYS B 7 5.284 8.761 0.869 1.00 0.00 S +ATOM 425 H CYS B 7 5.327 5.132 -1.856 1.00 0.00 H +ATOM 426 HA CYS B 7 3.659 7.056 -0.322 1.00 0.00 H +ATOM 427 HB2 CYS B 7 6.477 7.015 -0.265 1.00 0.00 H +ATOM 428 HB3 CYS B 7 6.064 8.329 -1.361 1.00 0.00 H +ATOM 429 N GLY B 8 2.912 8.118 -2.445 1.00 0.00 N +ATOM 430 CA GLY B 8 2.386 8.614 -3.749 1.00 0.00 C +ATOM 431 C GLY B 8 1.395 7.587 -4.297 1.00 0.00 C +ATOM 432 O GLY B 8 0.592 7.043 -3.563 1.00 0.00 O +ATOM 433 H GLY B 8 2.423 8.310 -1.618 1.00 0.00 H +ATOM 434 HA2 GLY B 8 1.888 9.563 -3.602 1.00 0.00 H +ATOM 435 HA3 GLY B 8 3.200 8.735 -4.447 1.00 0.00 H +ATOM 436 N SER B 9 1.454 7.306 -5.574 1.00 0.00 N +ATOM 437 CA SER B 9 0.524 6.296 -6.161 1.00 0.00 C +ATOM 438 C SER B 9 1.105 4.882 -5.993 1.00 0.00 C +ATOM 439 O SER B 9 0.532 3.917 -6.462 1.00 0.00 O +ATOM 440 CB SER B 9 0.324 6.591 -7.648 1.00 0.00 C +ATOM 441 OG SER B 9 1.492 6.212 -8.364 1.00 0.00 O +ATOM 442 H SER B 9 2.118 7.749 -6.142 1.00 0.00 H +ATOM 443 HA SER B 9 -0.431 6.351 -5.656 1.00 0.00 H +ATOM 444 HB2 SER B 9 -0.517 6.028 -8.018 1.00 0.00 H +ATOM 445 HB3 SER B 9 0.134 7.648 -7.782 1.00 0.00 H +ATOM 446 HG SER B 9 1.887 7.006 -8.731 1.00 0.00 H +ATOM 447 N HIS B 10 2.233 4.746 -5.327 1.00 0.00 N +ATOM 448 CA HIS B 10 2.834 3.394 -5.131 1.00 0.00 C +ATOM 449 C HIS B 10 2.058 2.652 -4.047 1.00 0.00 C +ATOM 450 O HIS B 10 1.896 1.448 -4.099 1.00 0.00 O +ATOM 451 CB HIS B 10 4.295 3.545 -4.701 1.00 0.00 C +ATOM 452 CG HIS B 10 5.063 4.259 -5.778 1.00 0.00 C +ATOM 453 ND1 HIS B 10 6.168 5.049 -5.498 1.00 0.00 N +ATOM 454 CD2 HIS B 10 4.898 4.315 -7.140 1.00 0.00 C +ATOM 455 CE1 HIS B 10 6.620 5.541 -6.665 1.00 0.00 C +ATOM 456 NE2 HIS B 10 5.883 5.125 -7.697 1.00 0.00 N +ATOM 457 H HIS B 10 2.681 5.530 -4.951 1.00 0.00 H +ATOM 458 HA HIS B 10 2.783 2.838 -6.055 1.00 0.00 H +ATOM 459 HB2 HIS B 10 4.344 4.116 -3.784 1.00 0.00 H +ATOM 460 HB3 HIS B 10 4.725 2.568 -4.541 1.00 0.00 H +ATOM 461 HD1 HIS B 10 6.550 5.216 -4.611 1.00 0.00 H +ATOM 462 HD2 HIS B 10 4.123 3.807 -7.695 1.00 0.00 H +ATOM 463 HE1 HIS B 10 7.475 6.195 -6.754 1.00 0.00 H +ATOM 464 N LEU B 11 1.576 3.367 -3.064 1.00 0.00 N +ATOM 465 CA LEU B 11 0.803 2.719 -1.968 1.00 0.00 C +ATOM 466 C LEU B 11 -0.505 2.174 -2.539 1.00 0.00 C +ATOM 467 O LEU B 11 -0.837 1.025 -2.342 1.00 0.00 O +ATOM 468 CB LEU B 11 0.519 3.758 -0.863 1.00 0.00 C +ATOM 469 CG LEU B 11 -0.149 3.128 0.383 1.00 0.00 C +ATOM 470 CD1 LEU B 11 -1.625 2.843 0.105 1.00 0.00 C +ATOM 471 CD2 LEU B 11 0.553 1.823 0.787 1.00 0.00 C +ATOM 472 H LEU B 11 1.720 4.337 -3.050 1.00 0.00 H +ATOM 473 HA LEU B 11 1.382 1.904 -1.560 1.00 0.00 H +ATOM 474 HB2 LEU B 11 1.451 4.212 -0.564 1.00 0.00 H +ATOM 475 HB3 LEU B 11 -0.131 4.524 -1.261 1.00 0.00 H +ATOM 476 HG LEU B 11 -0.082 3.831 1.203 1.00 0.00 H +ATOM 477 HD11 LEU B 11 -1.991 3.534 -0.641 1.00 0.00 H +ATOM 478 HD12 LEU B 11 -1.735 1.832 -0.257 1.00 0.00 H +ATOM 479 HD13 LEU B 11 -2.193 2.962 1.016 1.00 0.00 H +ATOM 480 HD21 LEU B 11 1.559 1.821 0.397 1.00 0.00 H +ATOM 481 HD22 LEU B 11 0.584 1.750 1.864 1.00 0.00 H +ATOM 482 HD23 LEU B 11 0.010 0.982 0.384 1.00 0.00 H +ATOM 483 N VAL B 12 -1.248 2.992 -3.243 1.00 0.00 N +ATOM 484 CA VAL B 12 -2.548 2.531 -3.831 1.00 0.00 C +ATOM 485 C VAL B 12 -2.323 1.287 -4.704 1.00 0.00 C +ATOM 486 O VAL B 12 -3.026 0.297 -4.584 1.00 0.00 O +ATOM 487 CB VAL B 12 -3.151 3.652 -4.688 1.00 0.00 C +ATOM 488 CG1 VAL B 12 -4.588 3.284 -5.065 1.00 0.00 C +ATOM 489 CG2 VAL B 12 -3.159 4.966 -3.898 1.00 0.00 C +ATOM 490 H VAL B 12 -0.952 3.916 -3.384 1.00 0.00 H +ATOM 491 HA VAL B 12 -3.232 2.286 -3.031 1.00 0.00 H +ATOM 492 HB VAL B 12 -2.561 3.775 -5.587 1.00 0.00 H +ATOM 493 HG11 VAL B 12 -5.024 2.683 -4.279 1.00 0.00 H +ATOM 494 HG12 VAL B 12 -5.169 4.186 -5.190 1.00 0.00 H +ATOM 495 HG13 VAL B 12 -4.586 2.725 -5.988 1.00 0.00 H +ATOM 496 HG21 VAL B 12 -3.261 4.753 -2.845 1.00 0.00 H +ATOM 497 HG22 VAL B 12 -2.232 5.494 -4.070 1.00 0.00 H +ATOM 498 HG23 VAL B 12 -3.987 5.577 -4.225 1.00 0.00 H +ATOM 499 N GLU B 13 -1.346 1.330 -5.577 1.00 0.00 N +ATOM 500 CA GLU B 13 -1.066 0.154 -6.459 1.00 0.00 C +ATOM 501 C GLU B 13 -0.715 -1.060 -5.596 1.00 0.00 C +ATOM 502 O GLU B 13 -0.967 -2.193 -5.967 1.00 0.00 O +ATOM 503 CB GLU B 13 0.110 0.480 -7.384 1.00 0.00 C +ATOM 504 CG GLU B 13 0.115 -0.493 -8.566 1.00 0.00 C +ATOM 505 CD GLU B 13 1.472 -0.434 -9.270 1.00 0.00 C +ATOM 506 OE1 GLU B 13 2.380 -1.114 -8.821 1.00 0.00 O +ATOM 507 OE2 GLU B 13 1.580 0.288 -10.248 1.00 0.00 O +ATOM 508 H GLU B 13 -0.795 2.136 -5.650 1.00 0.00 H +ATOM 509 HA GLU B 13 -1.940 -0.066 -7.052 1.00 0.00 H +ATOM 510 HB2 GLU B 13 0.013 1.491 -7.748 1.00 0.00 H +ATOM 511 HB3 GLU B 13 1.036 0.381 -6.837 1.00 0.00 H +ATOM 512 HG2 GLU B 13 -0.061 -1.497 -8.208 1.00 0.00 H +ATOM 513 HG3 GLU B 13 -0.662 -0.216 -9.263 1.00 0.00 H +ATOM 514 N ALA B 14 -0.136 -0.830 -4.446 1.00 0.00 N +ATOM 515 CA ALA B 14 0.236 -1.958 -3.546 1.00 0.00 C +ATOM 516 C ALA B 14 -1.030 -2.561 -2.935 1.00 0.00 C +ATOM 517 O ALA B 14 -1.097 -3.749 -2.679 1.00 0.00 O +ATOM 518 CB ALA B 14 1.147 -1.440 -2.433 1.00 0.00 C +ATOM 519 H ALA B 14 0.054 0.092 -4.172 1.00 0.00 H +ATOM 520 HA ALA B 14 0.756 -2.714 -4.115 1.00 0.00 H +ATOM 521 HB1 ALA B 14 1.703 -0.586 -2.793 1.00 0.00 H +ATOM 522 HB2 ALA B 14 0.548 -1.148 -1.584 1.00 0.00 H +ATOM 523 HB3 ALA B 14 1.834 -2.219 -2.139 1.00 0.00 H +ATOM 524 N LEU B 15 -2.039 -1.753 -2.710 1.00 0.00 N +ATOM 525 CA LEU B 15 -3.305 -2.285 -2.126 1.00 0.00 C +ATOM 526 C LEU B 15 -3.937 -3.241 -3.136 1.00 0.00 C +ATOM 527 O LEU B 15 -4.432 -4.295 -2.784 1.00 0.00 O +ATOM 528 CB LEU B 15 -4.283 -1.142 -1.831 1.00 0.00 C +ATOM 529 CG LEU B 15 -3.596 -0.030 -1.028 1.00 0.00 C +ATOM 530 CD1 LEU B 15 -4.607 1.072 -0.726 1.00 0.00 C +ATOM 531 CD2 LEU B 15 -3.057 -0.586 0.291 1.00 0.00 C +ATOM 532 H LEU B 15 -1.964 -0.804 -2.936 1.00 0.00 H +ATOM 533 HA LEU B 15 -3.084 -2.820 -1.213 1.00 0.00 H +ATOM 534 HB2 LEU B 15 -4.648 -0.734 -2.762 1.00 0.00 H +ATOM 535 HB3 LEU B 15 -5.113 -1.526 -1.261 1.00 0.00 H +ATOM 536 HG LEU B 15 -2.787 0.382 -1.605 1.00 0.00 H +ATOM 537 HD11 LEU B 15 -5.484 0.639 -0.268 1.00 0.00 H +ATOM 538 HD12 LEU B 15 -4.166 1.789 -0.049 1.00 0.00 H +ATOM 539 HD13 LEU B 15 -4.887 1.567 -1.645 1.00 0.00 H +ATOM 540 HD21 LEU B 15 -3.674 -1.412 0.614 1.00 0.00 H +ATOM 541 HD22 LEU B 15 -2.043 -0.928 0.149 1.00 0.00 H +ATOM 542 HD23 LEU B 15 -3.074 0.192 1.042 1.00 0.00 H +ATOM 543 N GLU B 16 -3.909 -2.879 -4.395 1.00 0.00 N +ATOM 544 CA GLU B 16 -4.491 -3.764 -5.446 1.00 0.00 C +ATOM 545 C GLU B 16 -3.700 -5.073 -5.483 1.00 0.00 C +ATOM 546 O GLU B 16 -4.257 -6.141 -5.662 1.00 0.00 O +ATOM 547 CB GLU B 16 -4.396 -3.070 -6.807 1.00 0.00 C +ATOM 548 CG GLU B 16 -5.574 -3.498 -7.684 1.00 0.00 C +ATOM 549 CD GLU B 16 -5.163 -3.437 -9.157 1.00 0.00 C +ATOM 550 OE1 GLU B 16 -5.199 -2.355 -9.718 1.00 0.00 O +ATOM 551 OE2 GLU B 16 -4.819 -4.475 -9.698 1.00 0.00 O +ATOM 552 H GLU B 16 -3.492 -2.025 -4.648 1.00 0.00 H +ATOM 553 HA GLU B 16 -5.526 -3.971 -5.215 1.00 0.00 H +ATOM 554 HB2 GLU B 16 -4.421 -1.999 -6.666 1.00 0.00 H +ATOM 555 HB3 GLU B 16 -3.472 -3.350 -7.289 1.00 0.00 H +ATOM 556 HG2 GLU B 16 -5.863 -4.507 -7.431 1.00 0.00 H +ATOM 557 HG3 GLU B 16 -6.408 -2.832 -7.518 1.00 0.00 H +ATOM 558 N LEU B 17 -2.407 -4.992 -5.304 1.00 0.00 N +ATOM 559 CA LEU B 17 -1.563 -6.223 -5.314 1.00 0.00 C +ATOM 560 C LEU B 17 -1.952 -7.112 -4.126 1.00 0.00 C +ATOM 561 O LEU B 17 -1.824 -8.320 -4.177 1.00 0.00 O +ATOM 562 CB LEU B 17 -0.084 -5.822 -5.199 1.00 0.00 C +ATOM 563 CG LEU B 17 0.750 -6.593 -6.230 1.00 0.00 C +ATOM 564 CD1 LEU B 17 0.316 -6.188 -7.642 1.00 0.00 C +ATOM 565 CD2 LEU B 17 2.238 -6.267 -6.035 1.00 0.00 C +ATOM 566 H LEU B 17 -1.989 -4.117 -5.156 1.00 0.00 H +ATOM 567 HA LEU B 17 -1.723 -6.762 -6.236 1.00 0.00 H +ATOM 568 HB2 LEU B 17 0.012 -4.762 -5.384 1.00 0.00 H +ATOM 569 HB3 LEU B 17 0.278 -6.046 -4.207 1.00 0.00 H +ATOM 570 HG LEU B 17 0.591 -7.654 -6.096 1.00 0.00 H +ATOM 571 HD11 LEU B 17 -0.008 -5.159 -7.638 1.00 0.00 H +ATOM 572 HD12 LEU B 17 1.150 -6.302 -8.320 1.00 0.00 H +ATOM 573 HD13 LEU B 17 -0.498 -6.821 -7.963 1.00 0.00 H +ATOM 574 HD21 LEU B 17 2.340 -5.361 -5.453 1.00 0.00 H +ATOM 575 HD22 LEU B 17 2.720 -7.081 -5.513 1.00 0.00 H +ATOM 576 HD23 LEU B 17 2.709 -6.130 -6.997 1.00 0.00 H +ATOM 577 N VAL B 18 -2.426 -6.517 -3.058 1.00 0.00 N +ATOM 578 CA VAL B 18 -2.825 -7.313 -1.861 1.00 0.00 C +ATOM 579 C VAL B 18 -4.135 -8.056 -2.145 1.00 0.00 C +ATOM 580 O VAL B 18 -4.157 -9.267 -2.260 1.00 0.00 O +ATOM 581 CB VAL B 18 -3.016 -6.369 -0.668 1.00 0.00 C +ATOM 582 CG1 VAL B 18 -3.319 -7.185 0.592 1.00 0.00 C +ATOM 583 CG2 VAL B 18 -1.736 -5.549 -0.453 1.00 0.00 C +ATOM 584 H VAL B 18 -2.516 -5.541 -3.044 1.00 0.00 H +ATOM 585 HA VAL B 18 -2.049 -8.029 -1.631 1.00 0.00 H +ATOM 586 HB VAL B 18 -3.840 -5.701 -0.867 1.00 0.00 H +ATOM 587 HG11 VAL B 18 -2.557 -7.939 0.724 1.00 0.00 H +ATOM 588 HG12 VAL B 18 -3.330 -6.530 1.451 1.00 0.00 H +ATOM 589 HG13 VAL B 18 -4.284 -7.661 0.490 1.00 0.00 H +ATOM 590 HG21 VAL B 18 -1.122 -5.594 -1.341 1.00 0.00 H +ATOM 591 HG22 VAL B 18 -1.997 -4.522 -0.249 1.00 0.00 H +ATOM 592 HG23 VAL B 18 -1.185 -5.950 0.385 1.00 0.00 H +ATOM 593 N CYS B 19 -5.226 -7.338 -2.256 1.00 0.00 N +ATOM 594 CA CYS B 19 -6.536 -7.997 -2.528 1.00 0.00 C +ATOM 595 C CYS B 19 -6.807 -7.981 -4.035 1.00 0.00 C +ATOM 596 O CYS B 19 -6.656 -8.983 -4.708 1.00 0.00 O +ATOM 597 CB CYS B 19 -7.650 -7.248 -1.790 1.00 0.00 C +ATOM 598 SG CYS B 19 -7.908 -7.994 -0.160 1.00 0.00 S +ATOM 599 H CYS B 19 -5.181 -6.364 -2.157 1.00 0.00 H +ATOM 600 HA CYS B 19 -6.500 -9.021 -2.183 1.00 0.00 H +ATOM 601 HB2 CYS B 19 -7.368 -6.212 -1.670 1.00 0.00 H +ATOM 602 HB3 CYS B 19 -8.564 -7.307 -2.360 1.00 0.00 H +ATOM 603 N GLY B 20 -7.199 -6.850 -4.569 1.00 0.00 N +ATOM 604 CA GLY B 20 -7.472 -6.768 -6.035 1.00 0.00 C +ATOM 605 C GLY B 20 -8.930 -6.363 -6.296 1.00 0.00 C +ATOM 606 O GLY B 20 -9.285 -6.016 -7.407 1.00 0.00 O +ATOM 607 H GLY B 20 -7.308 -6.056 -4.006 1.00 0.00 H +ATOM 608 HA2 GLY B 20 -6.814 -6.034 -6.479 1.00 0.00 H +ATOM 609 HA3 GLY B 20 -7.286 -7.732 -6.486 1.00 0.00 H +ATOM 610 N GLU B 21 -9.778 -6.403 -5.293 1.00 0.00 N +ATOM 611 CA GLU B 21 -11.205 -6.020 -5.504 1.00 0.00 C +ATOM 612 C GLU B 21 -11.361 -4.511 -5.317 1.00 0.00 C +ATOM 613 O GLU B 21 -10.701 -3.908 -4.493 1.00 0.00 O +ATOM 614 CB GLU B 21 -12.086 -6.748 -4.489 1.00 0.00 C +ATOM 615 CG GLU B 21 -12.435 -8.141 -5.018 1.00 0.00 C +ATOM 616 CD GLU B 21 -13.264 -8.892 -3.973 1.00 0.00 C +ATOM 617 OE1 GLU B 21 -12.672 -9.420 -3.046 1.00 0.00 O +ATOM 618 OE2 GLU B 21 -14.475 -8.924 -4.117 1.00 0.00 O +ATOM 619 H GLU B 21 -9.479 -6.686 -4.405 1.00 0.00 H +ATOM 620 HA GLU B 21 -11.507 -6.293 -6.505 1.00 0.00 H +ATOM 621 HB2 GLU B 21 -11.554 -6.842 -3.553 1.00 0.00 H +ATOM 622 HB3 GLU B 21 -12.994 -6.186 -4.333 1.00 0.00 H +ATOM 623 HG2 GLU B 21 -13.007 -8.046 -5.931 1.00 0.00 H +ATOM 624 HG3 GLU B 21 -11.528 -8.689 -5.217 1.00 0.00 H +ATOM 625 N ARG B 22 -12.236 -3.900 -6.076 1.00 0.00 N +ATOM 626 CA ARG B 22 -12.445 -2.429 -5.945 1.00 0.00 C +ATOM 627 C ARG B 22 -13.277 -2.151 -4.693 1.00 0.00 C +ATOM 628 O ARG B 22 -14.060 -2.977 -4.264 1.00 0.00 O +ATOM 629 CB ARG B 22 -13.184 -1.902 -7.175 1.00 0.00 C +ATOM 630 CG ARG B 22 -12.302 -2.077 -8.414 1.00 0.00 C +ATOM 631 CD ARG B 22 -13.145 -1.890 -9.678 1.00 0.00 C +ATOM 632 NE ARG B 22 -12.964 -0.499 -10.196 1.00 0.00 N +ATOM 633 CZ ARG B 22 -13.344 -0.164 -11.414 1.00 0.00 C +ATOM 634 NH1 ARG B 22 -13.894 -1.037 -12.228 1.00 0.00 N +ATOM 635 NH2 ARG B 22 -13.168 1.062 -11.822 1.00 0.00 N +ATOM 636 H ARG B 22 -12.757 -4.410 -6.730 1.00 0.00 H +ATOM 637 HA ARG B 22 -11.489 -1.937 -5.858 1.00 0.00 H +ATOM 638 HB2 ARG B 22 -14.104 -2.453 -7.307 1.00 0.00 H +ATOM 639 HB3 ARG B 22 -13.408 -0.855 -7.040 1.00 0.00 H +ATOM 640 HG2 ARG B 22 -11.510 -1.343 -8.396 1.00 0.00 H +ATOM 641 HG3 ARG B 22 -11.874 -3.068 -8.412 1.00 0.00 H +ATOM 642 HD2 ARG B 22 -12.827 -2.598 -10.430 1.00 0.00 H +ATOM 643 HD3 ARG B 22 -14.187 -2.055 -9.446 1.00 0.00 H +ATOM 644 HE ARG B 22 -12.557 0.179 -9.619 1.00 0.00 H +ATOM 645 HH11 ARG B 22 -14.036 -1.982 -11.936 1.00 0.00 H +ATOM 646 HH12 ARG B 22 -14.172 -0.754 -13.145 1.00 0.00 H +ATOM 647 HH21 ARG B 22 -12.749 1.736 -11.214 1.00 0.00 H +ATOM 648 HH22 ARG B 22 -13.451 1.329 -12.744 1.00 0.00 H +ATOM 649 N GLY B 23 -13.108 -0.996 -4.103 1.00 0.00 N +ATOM 650 CA GLY B 23 -13.881 -0.656 -2.870 1.00 0.00 C +ATOM 651 C GLY B 23 -13.552 -1.664 -1.763 1.00 0.00 C +ATOM 652 O GLY B 23 -14.344 -1.893 -0.867 1.00 0.00 O +ATOM 653 H GLY B 23 -12.466 -0.350 -4.468 1.00 0.00 H +ATOM 654 HA2 GLY B 23 -13.618 0.339 -2.543 1.00 0.00 H +ATOM 655 HA3 GLY B 23 -14.938 -0.697 -3.086 1.00 0.00 H +ATOM 656 N GLY B 24 -12.390 -2.266 -1.819 1.00 0.00 N +ATOM 657 CA GLY B 24 -11.998 -3.258 -0.776 1.00 0.00 C +ATOM 658 C GLY B 24 -10.872 -2.677 0.083 1.00 0.00 C +ATOM 659 O GLY B 24 -10.724 -3.022 1.241 1.00 0.00 O +ATOM 660 H GLY B 24 -11.770 -2.063 -2.551 1.00 0.00 H +ATOM 661 HA2 GLY B 24 -12.853 -3.480 -0.152 1.00 0.00 H +ATOM 662 HA3 GLY B 24 -11.652 -4.164 -1.252 1.00 0.00 H +ATOM 663 N PHE B 25 -10.078 -1.801 -0.479 1.00 0.00 N +ATOM 664 CA PHE B 25 -8.956 -1.192 0.292 1.00 0.00 C +ATOM 665 C PHE B 25 -8.975 0.327 0.111 1.00 0.00 C +ATOM 666 O PHE B 25 -9.881 0.877 -0.485 1.00 0.00 O +ATOM 667 CB PHE B 25 -7.625 -1.751 -0.218 1.00 0.00 C +ATOM 668 CG PHE B 25 -7.546 -1.603 -1.721 1.00 0.00 C +ATOM 669 CD1 PHE B 25 -7.142 -0.387 -2.289 1.00 0.00 C +ATOM 670 CD2 PHE B 25 -7.871 -2.684 -2.546 1.00 0.00 C +ATOM 671 CE1 PHE B 25 -7.064 -0.255 -3.679 1.00 0.00 C +ATOM 672 CE2 PHE B 25 -7.794 -2.553 -3.937 1.00 0.00 C +ATOM 673 CZ PHE B 25 -7.390 -1.339 -4.504 1.00 0.00 C +ATOM 674 H PHE B 25 -10.218 -1.544 -1.414 1.00 0.00 H +ATOM 675 HA PHE B 25 -9.068 -1.431 1.339 1.00 0.00 H +ATOM 676 HB2 PHE B 25 -6.810 -1.212 0.240 1.00 0.00 H +ATOM 677 HB3 PHE B 25 -7.553 -2.797 0.041 1.00 0.00 H +ATOM 678 HD1 PHE B 25 -6.890 0.449 -1.655 1.00 0.00 H +ATOM 679 HD2 PHE B 25 -8.183 -3.622 -2.109 1.00 0.00 H +ATOM 680 HE1 PHE B 25 -6.752 0.681 -4.117 1.00 0.00 H +ATOM 681 HE2 PHE B 25 -8.046 -3.389 -4.573 1.00 0.00 H +ATOM 682 HZ PHE B 25 -7.329 -1.236 -5.578 1.00 0.00 H +ATOM 683 N TYR B 26 -7.981 1.006 0.625 1.00 0.00 N +ATOM 684 CA TYR B 26 -7.931 2.493 0.492 1.00 0.00 C +ATOM 685 C TYR B 26 -7.858 2.872 -0.993 1.00 0.00 C +ATOM 686 O TYR B 26 -6.849 2.683 -1.646 1.00 0.00 O +ATOM 687 CB TYR B 26 -6.694 3.023 1.246 1.00 0.00 C +ATOM 688 CG TYR B 26 -6.501 4.514 1.015 1.00 0.00 C +ATOM 689 CD1 TYR B 26 -7.603 5.381 0.973 1.00 0.00 C +ATOM 690 CD2 TYR B 26 -5.207 5.021 0.846 1.00 0.00 C +ATOM 691 CE1 TYR B 26 -7.408 6.751 0.763 1.00 0.00 C +ATOM 692 CE2 TYR B 26 -5.013 6.391 0.637 1.00 0.00 C +ATOM 693 CZ TYR B 26 -6.113 7.255 0.595 1.00 0.00 C +ATOM 694 OH TYR B 26 -5.921 8.605 0.386 1.00 0.00 O +ATOM 695 H TYR B 26 -7.265 0.535 1.102 1.00 0.00 H +ATOM 696 HA TYR B 26 -8.823 2.919 0.925 1.00 0.00 H +ATOM 697 HB2 TYR B 26 -6.823 2.846 2.303 1.00 0.00 H +ATOM 698 HB3 TYR B 26 -5.818 2.495 0.904 1.00 0.00 H +ATOM 699 HD1 TYR B 26 -8.601 4.991 1.099 1.00 0.00 H +ATOM 700 HD2 TYR B 26 -4.358 4.353 0.877 1.00 0.00 H +ATOM 701 HE1 TYR B 26 -8.257 7.418 0.731 1.00 0.00 H +ATOM 702 HE2 TYR B 26 -4.015 6.782 0.506 1.00 0.00 H +ATOM 703 HH TYR B 26 -5.263 8.706 -0.307 1.00 0.00 H +ATOM 704 N THR B 27 -8.927 3.412 -1.520 1.00 0.00 N +ATOM 705 CA THR B 27 -8.943 3.816 -2.955 1.00 0.00 C +ATOM 706 C THR B 27 -9.298 5.308 -3.056 1.00 0.00 C +ATOM 707 O THR B 27 -10.458 5.645 -3.183 1.00 0.00 O +ATOM 708 CB THR B 27 -9.992 2.989 -3.704 1.00 0.00 C +ATOM 709 OG1 THR B 27 -11.250 3.133 -3.060 1.00 0.00 O +ATOM 710 CG2 THR B 27 -9.583 1.516 -3.703 1.00 0.00 C +ATOM 711 H THR B 27 -9.723 3.556 -0.967 1.00 0.00 H +ATOM 712 HA THR B 27 -7.969 3.644 -3.388 1.00 0.00 H +ATOM 713 HB THR B 27 -10.067 3.337 -4.723 1.00 0.00 H +ATOM 714 HG1 THR B 27 -11.161 2.813 -2.159 1.00 0.00 H +ATOM 715 HG21 THR B 27 -8.965 1.314 -2.840 1.00 0.00 H +ATOM 716 HG22 THR B 27 -10.467 0.897 -3.666 1.00 0.00 H +ATOM 717 HG23 THR B 27 -9.028 1.296 -4.603 1.00 0.00 H +ATOM 718 N PRO B 28 -8.297 6.170 -2.989 1.00 0.00 N +ATOM 719 CA PRO B 28 -8.497 7.638 -3.063 1.00 0.00 C +ATOM 720 C PRO B 28 -9.090 8.024 -4.423 1.00 0.00 C +ATOM 721 O PRO B 28 -8.374 8.348 -5.351 1.00 0.00 O +ATOM 722 CB PRO B 28 -7.107 8.268 -2.890 1.00 0.00 C +ATOM 723 CG PRO B 28 -6.086 7.121 -2.773 1.00 0.00 C +ATOM 724 CD PRO B 28 -6.862 5.801 -2.832 1.00 0.00 C +ATOM 725 HA PRO B 28 -9.147 7.965 -2.267 1.00 0.00 H +ATOM 726 HB2 PRO B 28 -6.870 8.885 -3.746 1.00 0.00 H +ATOM 727 HB3 PRO B 28 -7.084 8.863 -1.990 1.00 0.00 H +ATOM 728 HG2 PRO B 28 -5.383 7.172 -3.592 1.00 0.00 H +ATOM 729 HG3 PRO B 28 -5.561 7.190 -1.833 1.00 0.00 H +ATOM 730 HD2 PRO B 28 -6.533 5.214 -3.679 1.00 0.00 H +ATOM 731 HD3 PRO B 28 -6.725 5.246 -1.918 1.00 0.00 H +ATOM 732 N LYS B 29 -10.395 7.991 -4.544 1.00 0.00 N +ATOM 733 CA LYS B 29 -11.049 8.356 -5.840 1.00 0.00 C +ATOM 734 C LYS B 29 -12.561 8.151 -5.719 1.00 0.00 C +ATOM 735 O LYS B 29 -13.294 8.984 -6.226 1.00 0.00 O +ATOM 736 CB LYS B 29 -10.507 7.474 -6.975 1.00 0.00 C +ATOM 737 CG LYS B 29 -10.520 6.000 -6.546 1.00 0.00 C +ATOM 738 CD LYS B 29 -11.012 5.126 -7.702 1.00 0.00 C +ATOM 739 CE LYS B 29 -10.025 5.209 -8.871 1.00 0.00 C +ATOM 740 NZ LYS B 29 -8.940 4.204 -8.679 1.00 0.00 N +ATOM 741 OXT LYS B 29 -12.959 7.165 -5.122 1.00 0.00 O +ATOM 742 H LYS B 29 -10.947 7.730 -3.779 1.00 0.00 H +ATOM 743 HA LYS B 29 -10.846 9.394 -6.063 1.00 0.00 H +ATOM 744 HB2 LYS B 29 -11.126 7.601 -7.850 1.00 0.00 H +ATOM 745 HB3 LYS B 29 -9.494 7.771 -7.204 1.00 0.00 H +ATOM 746 HG2 LYS B 29 -9.519 5.700 -6.268 1.00 0.00 H +ATOM 747 HG3 LYS B 29 -11.179 5.877 -5.699 1.00 0.00 H +ATOM 748 HD2 LYS B 29 -11.091 4.102 -7.369 1.00 0.00 H +ATOM 749 HD3 LYS B 29 -11.980 5.473 -8.028 1.00 0.00 H +ATOM 750 HE2 LYS B 29 -10.544 5.005 -9.794 1.00 0.00 H +ATOM 751 HE3 LYS B 29 -9.595 6.199 -8.910 1.00 0.00 H +ATOM 752 HZ1 LYS B 29 -9.357 3.292 -8.407 1.00 0.00 H +ATOM 753 HZ2 LYS B 29 -8.412 4.092 -9.567 1.00 0.00 H +ATOM 754 HZ3 LYS B 29 -8.295 4.529 -7.930 1.00 0.00 H Added: SwiftApps/modFTdock/input/indata/1aiu-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1aiu-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1aiu-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,821 @@ +ATOM 1 N MET A 1 39.203 15.671 25.103 1.00 47.70 N +ATOM 2 CA MET A 1 38.380 16.351 24.054 1.00 46.07 C +ATOM 3 C MET A 1 39.072 16.288 22.669 1.00 41.82 C +ATOM 4 O MET A 1 40.252 15.935 22.568 1.00 42.13 O +ATOM 5 CB MET A 1 38.058 17.803 24.484 1.00 51.48 C +ATOM 6 CG MET A 1 37.306 17.894 25.848 1.00 57.28 C +ATOM 7 SD MET A 1 36.779 19.560 26.460 1.00 64.79 S +ATOM 8 CE MET A 1 38.158 20.025 27.564 1.00 62.25 C +ATOM 9 N VAL A 2 38.314 16.587 21.613 1.00 34.36 N +ATOM 10 CA VAL A 2 38.792 16.539 20.229 1.00 29.61 C +ATOM 11 C VAL A 2 39.456 17.830 19.733 1.00 27.95 C +ATOM 12 O VAL A 2 38.897 18.921 19.868 1.00 26.40 O +ATOM 13 CB VAL A 2 37.629 16.177 19.274 1.00 28.10 C +ATOM 14 CG1 VAL A 2 38.122 16.060 17.829 1.00 24.73 C +ATOM 15 CG2 VAL A 2 36.965 14.885 19.721 1.00 24.76 C +ATOM 16 N LYS A 3 40.620 17.684 19.109 1.00 24.82 N +ATOM 17 CA LYS A 3 41.378 18.812 18.576 1.00 23.70 C +ATOM 18 C LYS A 3 41.043 19.090 17.100 1.00 22.25 C +ATOM 19 O LYS A 3 41.235 18.231 16.239 1.00 18.04 O +ATOM 20 CB LYS A 3 42.875 18.526 18.697 1.00 27.60 C +ATOM 21 CG LYS A 3 43.370 18.177 20.096 1.00 33.49 C +ATOM 22 CD LYS A 3 44.878 17.964 20.064 1.00 35.89 C +ATOM 23 CE LYS A 3 45.469 17.792 21.457 1.00 38.62 C +ATOM 24 NZ LYS A 3 46.956 17.899 21.380 1.00 39.53 N +ATOM 25 N GLN A 4 40.574 20.302 16.816 1.00 18.61 N +ATOM 26 CA GLN A 4 40.228 20.713 15.454 1.00 17.04 C +ATOM 27 C GLN A 4 41.480 21.182 14.689 1.00 15.23 C +ATOM 28 O GLN A 4 42.095 22.190 15.060 1.00 14.71 O +ATOM 29 CB GLN A 4 39.213 21.863 15.504 1.00 16.97 C +ATOM 30 CG GLN A 4 38.619 22.212 14.160 1.00 16.38 C +ATOM 31 CD GLN A 4 37.599 21.197 13.726 1.00 15.12 C +ATOM 32 OE1 GLN A 4 36.789 20.759 14.533 1.00 21.69 O +ATOM 33 NE2 GLN A 4 37.629 20.809 12.473 1.00 14.68 N +ATOM 34 N ILE A 5 41.826 20.479 13.611 1.00 13.61 N +ATOM 35 CA ILE A 5 43.003 20.813 12.788 1.00 13.06 C +ATOM 36 C ILE A 5 42.631 21.729 11.613 1.00 10.24 C +ATOM 37 O ILE A 5 41.747 21.422 10.811 1.00 10.20 O +ATOM 38 CB ILE A 5 43.688 19.511 12.215 1.00 12.75 C +ATOM 39 CG1 ILE A 5 44.227 18.589 13.312 1.00 9.31 C +ATOM 40 CG2 ILE A 5 44.872 19.820 11.296 1.00 13.61 C +ATOM 41 CD1 ILE A 5 45.172 19.297 14.284 1.00 9.04 C +ATOM 42 N GLU A 6 43.328 22.865 11.494 1.00 8.94 N +ATOM 43 CA GLU A 6 42.995 23.829 10.423 1.00 8.19 C +ATOM 44 C GLU A 6 44.202 24.243 9.538 1.00 8.52 C +ATOM 45 O GLU A 6 44.230 25.342 8.970 1.00 6.85 O +ATOM 46 CB GLU A 6 42.376 25.099 11.014 1.00 7.70 C +ATOM 47 CG GLU A 6 40.954 24.876 11.558 1.00 11.01 C +ATOM 48 CD GLU A 6 39.939 24.436 10.491 1.00 10.37 C +ATOM 49 OE1 GLU A 6 40.203 24.588 9.238 1.00 14.35 O +ATOM 50 OE2 GLU A 6 38.814 23.912 10.847 1.00 15.83 O +ATOM 51 N SER A 7 45.184 23.360 9.405 1.00 5.70 N +ATOM 52 CA SER A 7 46.360 23.598 8.517 1.00 7.36 C +ATOM 53 C SER A 7 47.272 22.378 8.541 1.00 7.84 C +ATOM 54 O SER A 7 47.216 21.591 9.490 1.00 7.74 O +ATOM 55 CB SER A 7 47.121 24.859 8.941 1.00 5.70 C +ATOM 56 OG SER A 7 47.903 24.604 10.093 1.00 11.35 O +ATOM 57 N LYS A 8 48.113 22.225 7.521 1.00 8.16 N +ATOM 58 CA LYS A 8 49.057 21.102 7.480 1.00 13.40 C +ATOM 59 C LYS A 8 50.123 21.232 8.582 1.00 13.71 C +ATOM 60 O LYS A 8 50.532 20.238 9.182 1.00 14.32 O +ATOM 61 CB LYS A 8 49.718 20.961 6.096 1.00 10.82 C +ATOM 62 CG LYS A 8 50.671 19.767 6.033 1.00 16.89 C +ATOM 63 CD LYS A 8 50.864 19.229 4.630 1.00 20.09 C +ATOM 64 CE LYS A 8 51.603 20.212 3.753 1.00 25.20 C +ATOM 65 NZ LYS A 8 51.857 19.652 2.393 1.00 21.60 N +ATOM 66 N THR A 9 50.543 22.458 8.873 1.00 14.78 N +ATOM 67 CA THR A 9 51.537 22.700 9.913 1.00 16.48 C +ATOM 68 C THR A 9 51.015 22.183 11.259 1.00 15.77 C +ATOM 69 O THR A 9 51.726 21.496 11.998 1.00 16.16 O +ATOM 70 CB THR A 9 51.853 24.218 10.023 1.00 17.72 C +ATOM 71 OG1 THR A 9 52.233 24.716 8.733 1.00 20.72 O +ATOM 72 CG2 THR A 9 52.984 24.473 11.005 1.00 19.12 C +ATOM 73 N ALA A 10 49.756 22.489 11.549 1.00 14.01 N +ATOM 74 CA ALA A 10 49.120 22.071 12.791 1.00 12.27 C +ATOM 75 C ALA A 10 48.995 20.548 12.852 1.00 11.59 C +ATOM 76 O ALA A 10 49.161 19.951 13.922 1.00 11.22 O +ATOM 77 CB ALA A 10 47.734 22.736 12.927 1.00 11.19 C +ATOM 78 N PHE A 11 48.725 19.926 11.703 1.00 11.07 N +ATOM 79 CA PHE A 11 48.589 18.463 11.627 1.00 11.70 C +ATOM 80 C PHE A 11 49.911 17.778 11.997 1.00 13.44 C +ATOM 81 O PHE A 11 49.945 16.884 12.842 1.00 12.76 O +ATOM 82 CB PHE A 11 48.146 18.027 10.216 1.00 12.30 C +ATOM 83 CG PHE A 11 47.801 16.554 10.105 1.00 13.62 C +ATOM 84 CD1 PHE A 11 46.715 16.025 10.798 1.00 16.08 C +ATOM 85 CD2 PHE A 11 48.569 15.697 9.316 1.00 15.35 C +ATOM 86 CE1 PHE A 11 46.396 14.654 10.709 1.00 18.56 C +ATOM 87 CE2 PHE A 11 48.260 14.316 9.216 1.00 15.26 C +ATOM 88 CZ PHE A 11 47.176 13.800 9.915 1.00 17.02 C +ATOM 89 N GLN A 12 50.996 18.224 11.373 1.00 12.75 N +ATOM 90 CA GLN A 12 52.318 17.670 11.629 1.00 14.35 C +ATOM 91 C GLN A 12 52.802 17.912 13.057 1.00 14.80 C +ATOM 92 O GLN A 12 53.451 17.048 13.654 1.00 14.06 O +ATOM 93 CB GLN A 12 53.334 18.230 10.637 1.00 16.64 C +ATOM 94 CG GLN A 12 52.954 17.993 9.181 1.00 22.23 C +ATOM 95 CD GLN A 12 53.953 18.588 8.204 1.00 25.26 C +ATOM 96 OE1 GLN A 12 54.389 17.912 7.276 1.00 28.27 O +ATOM 97 NE2 GLN A 12 54.307 19.858 8.397 1.00 24.27 N +ATOM 98 N GLU A 13 52.481 19.070 13.618 1.00 14.27 N +ATOM 99 CA GLU A 13 52.920 19.364 14.973 1.00 16.98 C +ATOM 100 C GLU A 13 52.206 18.483 16.014 1.00 15.46 C +ATOM 101 O GLU A 13 52.826 18.019 16.972 1.00 11.73 O +ATOM 102 CB GLU A 13 52.771 20.859 15.278 1.00 23.70 C +ATOM 103 CG GLU A 13 53.873 21.404 16.191 1.00 33.43 C +ATOM 104 CD GLU A 13 54.263 22.848 15.863 1.00 39.23 C +ATOM 105 OE1 GLU A 13 54.820 23.085 14.760 1.00 42.95 O +ATOM 106 OE2 GLU A 13 54.028 23.742 16.720 1.00 41.12 O +ATOM 107 N ALA A 14 50.917 18.221 15.805 1.00 15.06 N +ATOM 108 CA ALA A 14 50.147 17.355 16.710 1.00 14.89 C +ATOM 109 C ALA A 14 50.719 15.935 16.709 1.00 14.25 C +ATOM 110 O ALA A 14 50.819 15.302 17.753 1.00 16.23 O +ATOM 111 CB ALA A 14 48.682 17.317 16.295 1.00 13.33 C +ATOM 112 N LEU A 15 51.035 15.421 15.522 1.00 14.77 N +ATOM 113 CA LEU A 15 51.607 14.082 15.360 1.00 15.29 C +ATOM 114 C LEU A 15 52.946 14.004 16.084 1.00 17.06 C +ATOM 115 O LEU A 15 53.346 12.941 16.586 1.00 16.49 O +ATOM 116 CB LEU A 15 51.805 13.776 13.870 1.00 11.21 C +ATOM 117 CG LEU A 15 50.874 12.783 13.177 1.00 13.60 C +ATOM 118 CD1 LEU A 15 49.461 12.892 13.680 1.00 16.67 C +ATOM 119 CD2 LEU A 15 50.928 13.017 11.689 1.00 15.75 C +ATOM 120 N ASP A 16 53.636 15.139 16.126 1.00 18.53 N +ATOM 121 CA ASP A 16 54.929 15.253 16.785 1.00 19.41 C +ATOM 122 C ASP A 16 54.739 15.247 18.307 1.00 18.48 C +ATOM 123 O ASP A 16 55.203 14.348 19.006 1.00 19.28 O +ATOM 124 CB ASP A 16 55.590 16.570 16.350 1.00 25.92 C +ATOM 125 CG ASP A 16 57.100 16.500 16.348 1.00 29.91 C +ATOM 126 OD1 ASP A 16 57.688 16.299 17.431 1.00 30.12 O +ATOM 127 OD2 ASP A 16 57.693 16.661 15.255 1.00 35.19 O +ATOM 128 N ALA A 17 53.991 16.225 18.805 1.00 15.24 N +ATOM 129 CA ALA A 17 53.733 16.370 20.237 1.00 16.82 C +ATOM 130 C ALA A 17 53.074 15.139 20.874 1.00 15.71 C +ATOM 131 O ALA A 17 53.086 14.979 22.098 1.00 15.05 O +ATOM 132 CB ALA A 17 52.871 17.631 20.487 1.00 15.54 C +ATOM 133 N ALA A 18 52.529 14.263 20.035 1.00 15.78 N +ATOM 134 CA ALA A 18 51.842 13.063 20.500 1.00 17.25 C +ATOM 135 C ALA A 18 52.745 12.126 21.287 1.00 17.73 C +ATOM 136 O ALA A 18 52.281 11.408 22.178 1.00 18.60 O +ATOM 137 CB ALA A 18 51.225 12.324 19.327 1.00 13.49 C +ATOM 138 N GLY A 19 54.034 12.154 20.974 1.00 19.75 N +ATOM 139 CA GLY A 19 54.963 11.281 21.659 1.00 20.00 C +ATOM 140 C GLY A 19 54.670 9.823 21.342 1.00 19.46 C +ATOM 141 O GLY A 19 54.588 9.438 20.172 1.00 19.28 O +ATOM 142 N ASP A 20 54.450 9.036 22.386 1.00 19.46 N +ATOM 143 CA ASP A 20 54.189 7.607 22.255 1.00 23.79 C +ATOM 144 C ASP A 20 52.708 7.237 22.230 1.00 21.78 C +ATOM 145 O ASP A 20 52.364 6.059 22.157 1.00 21.78 O +ATOM 146 CB ASP A 20 54.883 6.847 23.395 1.00 27.60 C +ATOM 147 CG ASP A 20 54.511 7.395 24.783 1.00 35.84 C +ATOM 148 OD1 ASP A 20 54.776 8.591 25.051 1.00 40.16 O +ATOM 149 OD2 ASP A 20 53.963 6.632 25.612 1.00 38.02 O +ATOM 150 N LYS A 21 51.836 8.234 22.293 1.00 18.39 N +ATOM 151 CA LYS A 21 50.407 7.978 22.307 1.00 15.89 C +ATOM 152 C LYS A 21 49.803 7.651 20.939 1.00 15.06 C +ATOM 153 O LYS A 21 50.320 8.068 19.898 1.00 13.63 O +ATOM 154 CB LYS A 21 49.670 9.183 22.884 1.00 17.97 C +ATOM 155 CG LYS A 21 49.909 9.430 24.361 1.00 20.72 C +ATOM 156 CD LYS A 21 49.037 10.571 24.877 1.00 25.87 C +ATOM 157 CE LYS A 21 49.435 11.053 26.263 1.00 24.88 C +ATOM 158 NZ LYS A 21 49.388 12.514 26.394 1.00 26.88 N +ATOM 159 N LEU A 22 48.715 6.878 20.957 1.00 12.37 N +ATOM 160 CA LEU A 22 47.997 6.549 19.735 1.00 11.79 C +ATOM 161 C LEU A 22 47.223 7.811 19.306 1.00 10.62 C +ATOM 162 O LEU A 22 46.657 8.510 20.146 1.00 10.45 O +ATOM 163 CB LEU A 22 46.982 5.413 19.970 1.00 11.94 C +ATOM 164 CG LEU A 22 46.112 5.083 18.740 1.00 10.78 C +ATOM 165 CD1 LEU A 22 46.971 4.420 17.664 1.00 10.34 C +ATOM 166 CD2 LEU A 22 44.947 4.185 19.126 1.00 11.64 C +ATOM 167 N VAL A 23 47.215 8.097 18.008 1.00 10.19 N +ATOM 168 CA VAL A 23 46.495 9.244 17.474 1.00 10.71 C +ATOM 169 C VAL A 23 45.405 8.721 16.536 1.00 10.68 C +ATOM 170 O VAL A 23 45.666 7.876 15.674 1.00 7.55 O +ATOM 171 CB VAL A 23 47.443 10.216 16.693 1.00 9.38 C +ATOM 172 CG1 VAL A 23 46.657 11.426 16.147 1.00 10.43 C +ATOM 173 CG2 VAL A 23 48.569 10.700 17.598 1.00 9.44 C +ATOM 174 N VAL A 24 44.178 9.193 16.742 1.00 9.49 N +ATOM 175 CA VAL A 24 43.049 8.808 15.902 1.00 10.55 C +ATOM 176 C VAL A 24 42.581 10.091 15.206 1.00 9.23 C +ATOM 177 O VAL A 24 42.391 11.120 15.862 1.00 9.65 O +ATOM 178 CB VAL A 24 41.890 8.183 16.745 1.00 12.17 C +ATOM 179 CG1 VAL A 24 40.741 7.758 15.847 1.00 12.96 C +ATOM 180 CG2 VAL A 24 42.395 6.971 17.500 1.00 13.68 C +ATOM 181 N VAL A 25 42.513 10.050 13.875 1.00 10.14 N +ATOM 182 CA VAL A 25 42.082 11.189 13.055 1.00 8.24 C +ATOM 183 C VAL A 25 40.779 10.860 12.313 1.00 10.23 C +ATOM 184 O VAL A 25 40.696 9.836 11.604 1.00 10.32 O +ATOM 185 CB VAL A 25 43.127 11.538 11.960 1.00 9.55 C +ATOM 186 CG1 VAL A 25 42.749 12.847 11.274 1.00 6.50 C +ATOM 187 CG2 VAL A 25 44.546 11.620 12.547 1.00 9.58 C +ATOM 188 N ASP A 26 39.783 11.736 12.463 1.00 8.16 N +ATOM 189 CA ASP A 26 38.493 11.603 11.805 1.00 5.67 C +ATOM 190 C ASP A 26 38.442 12.579 10.612 1.00 7.03 C +ATOM 191 O ASP A 26 38.457 13.796 10.808 1.00 6.92 O +ATOM 192 CB ASP A 26 37.378 11.912 12.831 1.00 9.52 C +ATOM 193 CG ASP A 26 35.946 11.950 12.221 1.00 10.94 C +ATOM 194 OD1 ASP A 26 35.724 11.687 11.016 1.00 14.38 O +ATOM 195 OD2 ASP A 26 35.012 12.260 12.987 1.00 18.77 O +ATOM 196 N PHE A 27 38.458 12.055 9.388 1.00 5.52 N +ATOM 197 CA PHE A 27 38.361 12.898 8.184 1.00 8.10 C +ATOM 198 C PHE A 27 36.876 13.003 7.798 1.00 10.78 C +ATOM 199 O PHE A 27 36.244 11.993 7.460 1.00 9.71 O +ATOM 200 CB PHE A 27 39.146 12.295 7.024 1.00 6.89 C +ATOM 201 CG PHE A 27 40.640 12.429 7.170 1.00 9.26 C +ATOM 202 CD1 PHE A 27 41.300 13.562 6.699 1.00 8.88 C +ATOM 203 CD2 PHE A 27 41.394 11.410 7.754 1.00 8.69 C +ATOM 204 CE1 PHE A 27 42.691 13.677 6.798 1.00 8.74 C +ATOM 205 CE2 PHE A 27 42.785 11.520 7.859 1.00 9.23 C +ATOM 206 CZ PHE A 27 43.435 12.650 7.380 1.00 7.65 C +ATOM 207 N SER A 28 36.311 14.205 7.846 1.00 9.89 N +ATOM 208 CA SER A 28 34.899 14.348 7.532 1.00 12.02 C +ATOM 209 C SER A 28 34.529 15.530 6.627 1.00 11.18 C +ATOM 210 O SER A 28 35.387 16.353 6.263 1.00 9.93 O +ATOM 211 CB SER A 28 34.100 14.402 8.835 1.00 14.69 C +ATOM 212 OG SER A 28 34.289 15.645 9.490 1.00 20.69 O +ATOM 213 N ALA A 29 33.247 15.576 6.265 1.00 11.77 N +ATOM 214 CA ALA A 29 32.669 16.610 5.402 1.00 15.34 C +ATOM 215 C ALA A 29 31.318 16.984 6.041 1.00 17.05 C +ATOM 216 O ALA A 29 30.550 16.106 6.461 1.00 17.44 O +ATOM 217 CB ALA A 29 32.425 16.051 3.994 1.00 15.17 C +ATOM 218 N THR A 30 31.033 18.270 6.110 1.00 18.83 N +ATOM 219 CA THR A 30 29.817 18.771 6.798 1.00 20.91 C +ATOM 220 C THR A 30 28.494 18.270 6.180 1.00 20.34 C +ATOM 221 O THR A 30 27.478 18.134 6.876 1.00 21.61 O +ATOM 222 CB THR A 30 29.769 20.302 6.796 1.00 22.27 C +ATOM 223 OG1 THR A 30 30.180 20.810 5.539 1.00 23.43 O +ATOM 224 CG2 THR A 30 30.673 20.919 7.866 1.00 23.28 C +ATOM 225 N TRP A 31 28.500 17.990 4.891 1.00 17.48 N +ATOM 226 CA TRP A 31 27.267 17.578 4.183 1.00 20.00 C +ATOM 227 C TRP A 31 27.014 16.042 4.206 1.00 20.95 C +ATOM 228 O TRP A 31 25.981 15.559 3.722 1.00 21.28 O +ATOM 229 CB TRP A 31 27.326 18.012 2.712 1.00 20.84 C +ATOM 230 CG TRP A 31 28.621 17.595 2.007 1.00 19.30 C +ATOM 231 CD1 TRP A 31 29.708 18.352 1.800 1.00 20.08 C +ATOM 232 CD2 TRP A 31 28.873 16.314 1.450 1.00 18.80 C +ATOM 233 NE1 TRP A 31 30.662 17.541 1.106 1.00 18.86 N +ATOM 234 CE2 TRP A 31 30.153 16.349 0.913 1.00 17.26 C +ATOM 235 CE3 TRP A 31 28.127 15.134 1.360 1.00 20.45 C +ATOM 236 CZ2 TRP A 31 30.748 15.251 0.280 1.00 16.01 C +ATOM 237 CZ3 TRP A 31 28.734 14.033 0.720 1.00 17.45 C +ATOM 238 CH2 TRP A 31 29.983 14.090 0.207 1.00 18.39 C +ATOM 239 N CYS A 32 27.933 15.261 4.777 1.00 21.12 N +ATOM 240 CA CYS A 32 27.818 13.762 4.778 1.00 19.66 C +ATOM 241 C CYS A 32 27.126 13.221 6.062 1.00 19.18 C +ATOM 242 O CYS A 32 27.669 13.334 7.174 1.00 18.00 O +ATOM 243 CB CYS A 32 29.206 13.136 4.641 1.00 22.09 C +ATOM 244 SG CYS A 32 29.154 11.287 4.446 1.00 25.09 S +ATOM 245 N GLY A 33 25.956 12.628 5.802 1.00 17.17 N +ATOM 246 CA GLY A 33 25.008 12.054 6.803 1.00 18.13 C +ATOM 247 C GLY A 33 25.684 11.185 7.888 1.00 16.99 C +ATOM 248 O GLY A 33 25.483 11.406 9.092 1.00 15.99 O +ATOM 249 N PRO A 34 26.488 10.158 7.545 1.00 17.18 N +ATOM 250 CA PRO A 34 27.136 9.295 8.556 1.00 14.86 C +ATOM 251 C PRO A 34 28.069 10.069 9.447 1.00 14.29 C +ATOM 252 O PRO A 34 28.073 9.838 10.699 1.00 13.61 O +ATOM 253 CB PRO A 34 27.913 8.299 7.724 1.00 14.51 C +ATOM 254 CG PRO A 34 27.692 8.634 6.252 1.00 19.08 C +ATOM 255 CD PRO A 34 26.783 9.819 6.149 1.00 15.78 C +ATOM 256 N CYS A 35 28.837 10.924 8.806 1.00 13.06 N +ATOM 257 CA CYS A 35 29.807 11.758 9.505 1.00 13.96 C +ATOM 258 C CYS A 35 29.119 12.467 10.674 1.00 15.69 C +ATOM 259 O CYS A 35 29.597 12.420 11.815 1.00 14.82 O +ATOM 260 CB CYS A 35 30.390 12.816 8.563 1.00 12.02 C +ATOM 261 SG CYS A 35 31.673 12.139 7.397 1.00 12.53 S +ATOM 262 N LYS A 36 27.991 13.117 10.390 1.00 18.75 N +ATOM 263 CA LYS A 36 27.229 13.830 11.414 1.00 19.75 C +ATOM 264 C LYS A 36 26.639 12.862 12.433 1.00 19.77 C +ATOM 265 O LYS A 36 26.548 13.162 13.615 1.00 19.86 O +ATOM 266 CB LYS A 36 26.125 14.662 10.761 1.00 23.22 C +ATOM 267 CG LYS A 36 26.667 15.761 9.838 1.00 25.34 C +ATOM 268 CD LYS A 36 25.560 16.619 9.201 1.00 29.03 C +ATOM 269 CE LYS A 36 24.788 15.868 8.128 1.00 29.61 C +ATOM 270 NZ LYS A 36 24.031 16.816 7.244 1.00 28.95 N +ATOM 271 N MET A 37 26.308 11.668 11.965 1.00 20.83 N +ATOM 272 CA MET A 37 25.741 10.624 12.800 1.00 23.10 C +ATOM 273 C MET A 37 26.716 10.114 13.861 1.00 22.60 C +ATOM 274 O MET A 37 26.320 9.842 14.990 1.00 20.32 O +ATOM 275 CB MET A 37 25.344 9.447 11.918 1.00 27.24 C +ATOM 276 CG MET A 37 24.123 8.740 12.380 1.00 36.51 C +ATOM 277 SD MET A 37 22.688 9.674 11.831 1.00 47.00 S +ATOM 278 CE MET A 37 21.537 8.276 11.504 1.00 43.71 C +ATOM 279 N ILE A 38 27.987 9.963 13.486 1.00 21.27 N +ATOM 280 CA ILE A 38 29.002 9.436 14.410 1.00 19.30 C +ATOM 281 C ILE A 38 29.807 10.450 15.238 1.00 18.60 C +ATOM 282 O ILE A 38 30.569 10.055 16.128 1.00 15.59 O +ATOM 283 CB ILE A 38 29.973 8.470 13.665 1.00 17.42 C +ATOM 284 CG1 ILE A 38 30.610 7.501 14.671 1.00 17.19 C +ATOM 285 CG2 ILE A 38 31.022 9.258 12.881 1.00 14.51 C +ATOM 286 CD1 ILE A 38 31.131 6.229 14.063 1.00 17.55 C +ATOM 287 N LYS A 39 29.606 11.740 14.972 1.00 18.60 N +ATOM 288 CA LYS A 39 30.314 12.813 15.669 1.00 18.43 C +ATOM 289 C LYS A 39 30.207 12.781 17.207 1.00 17.32 C +ATOM 290 O LYS A 39 31.224 12.887 17.902 1.00 16.39 O +ATOM 291 CB LYS A 39 29.848 14.169 15.136 1.00 23.41 C +ATOM 292 CG LYS A 39 30.855 15.295 15.278 1.00 26.51 C +ATOM 293 CD LYS A 39 30.195 16.657 15.018 1.00 30.93 C +ATOM 294 CE LYS A 39 31.219 17.781 14.858 1.00 34.17 C +ATOM 295 NZ LYS A 39 32.309 17.767 15.889 1.00 36.51 N +ATOM 296 N PRO A 40 28.979 12.648 17.761 1.00 16.89 N +ATOM 297 CA PRO A 40 28.851 12.610 19.234 1.00 16.73 C +ATOM 298 C PRO A 40 29.604 11.431 19.865 1.00 15.42 C +ATOM 299 O PRO A 40 30.223 11.578 20.926 1.00 15.03 O +ATOM 300 CB PRO A 40 27.340 12.475 19.452 1.00 18.59 C +ATOM 301 CG PRO A 40 26.722 13.035 18.169 1.00 17.86 C +ATOM 302 CD PRO A 40 27.662 12.555 17.101 1.00 17.07 C +ATOM 303 N PHE A 41 29.533 10.261 19.232 1.00 15.51 N +ATOM 304 CA PHE A 41 30.227 9.071 19.739 1.00 13.00 C +ATOM 305 C PHE A 41 31.731 9.303 19.707 1.00 12.11 C +ATOM 306 O PHE A 41 32.412 8.955 20.659 1.00 11.63 O +ATOM 307 CB PHE A 41 29.868 7.817 18.931 1.00 13.52 C +ATOM 308 CG PHE A 41 30.489 6.539 19.465 1.00 16.65 C +ATOM 309 CD1 PHE A 41 30.101 6.022 20.701 1.00 18.11 C +ATOM 310 CD2 PHE A 41 31.478 5.866 18.740 1.00 15.54 C +ATOM 311 CE1 PHE A 41 30.689 4.856 21.204 1.00 16.99 C +ATOM 312 CE2 PHE A 41 32.060 4.718 19.235 1.00 14.56 C +ATOM 313 CZ PHE A 41 31.667 4.208 20.470 1.00 14.01 C +ATOM 314 N PHE A 42 32.248 9.895 18.624 1.00 9.01 N +ATOM 315 CA PHE A 42 33.685 10.180 18.514 1.00 8.36 C +ATOM 316 C PHE A 42 34.140 11.082 19.685 1.00 10.38 C +ATOM 317 O PHE A 42 35.168 10.818 20.328 1.00 9.59 O +ATOM 318 CB PHE A 42 34.005 10.824 17.150 1.00 6.90 C +ATOM 319 CG PHE A 42 35.490 10.957 16.861 1.00 8.39 C +ATOM 320 CD1 PHE A 42 36.265 9.835 16.567 1.00 11.05 C +ATOM 321 CD2 PHE A 42 36.108 12.210 16.854 1.00 9.24 C +ATOM 322 CE1 PHE A 42 37.638 9.950 16.267 1.00 10.04 C +ATOM 323 CE2 PHE A 42 37.484 12.338 16.554 1.00 8.71 C +ATOM 324 CZ PHE A 42 38.247 11.205 16.260 1.00 8.99 C +ATOM 325 N HIS A 43 33.340 12.086 20.022 1.00 10.61 N +ATOM 326 CA HIS A 43 33.696 12.958 21.124 1.00 14.53 C +ATOM 327 C HIS A 43 33.647 12.213 22.466 1.00 13.17 C +ATOM 328 O HIS A 43 34.474 12.455 23.335 1.00 14.88 O +ATOM 329 CB HIS A 43 32.797 14.203 21.164 1.00 19.94 C +ATOM 330 CG HIS A 43 33.325 15.300 22.041 1.00 28.94 C +ATOM 331 ND1 HIS A 43 32.837 15.551 23.308 1.00 29.12 N +ATOM 332 CD2 HIS A 43 34.337 16.185 21.849 1.00 30.48 C +ATOM 333 CE1 HIS A 43 33.524 16.536 23.859 1.00 29.36 C +ATOM 334 NE2 HIS A 43 34.442 16.939 22.997 1.00 31.54 N +ATOM 335 N SER A 44 32.701 11.289 22.629 1.00 13.50 N +ATOM 336 CA SER A 44 32.603 10.538 23.881 1.00 12.64 C +ATOM 337 C SER A 44 33.857 9.694 24.105 1.00 11.97 C +ATOM 338 O SER A 44 34.350 9.586 25.234 1.00 13.14 O +ATOM 339 CB SER A 44 31.333 9.666 23.919 1.00 15.29 C +ATOM 340 OG SER A 44 31.501 8.430 23.241 1.00 20.44 O +ATOM 341 N LEU A 45 34.402 9.149 23.020 1.00 10.69 N +ATOM 342 CA LEU A 45 35.606 8.332 23.087 1.00 11.45 C +ATOM 343 C LEU A 45 36.776 9.159 23.629 1.00 12.35 C +ATOM 344 O LEU A 45 37.581 8.656 24.421 1.00 9.11 O +ATOM 345 CB LEU A 45 35.946 7.773 21.701 1.00 13.89 C +ATOM 346 CG LEU A 45 35.834 6.268 21.383 1.00 15.15 C +ATOM 347 CD1 LEU A 45 35.104 5.492 22.455 1.00 15.09 C +ATOM 348 CD2 LEU A 45 35.182 6.078 20.031 1.00 13.42 C +ATOM 349 N SER A 46 36.841 10.437 23.266 1.00 13.11 N +ATOM 350 CA SER A 46 37.957 11.262 23.737 1.00 15.55 C +ATOM 351 C SER A 46 37.899 11.549 25.229 1.00 16.96 C +ATOM 352 O SER A 46 38.918 11.870 25.835 1.00 18.75 O +ATOM 353 CB SER A 46 38.109 12.558 22.928 1.00 15.17 C +ATOM 354 OG SER A 46 36.978 13.394 23.052 1.00 18.24 O +ATOM 355 N GLU A 47 36.713 11.423 25.820 1.00 16.92 N +ATOM 356 CA GLU A 47 36.558 11.650 27.252 1.00 18.52 C +ATOM 357 C GLU A 47 36.789 10.349 28.029 1.00 18.18 C +ATOM 358 O GLU A 47 37.222 10.372 29.176 1.00 20.34 O +ATOM 359 CB GLU A 47 35.182 12.221 27.556 1.00 20.98 C +ATOM 360 CG GLU A 47 34.965 13.615 27.008 1.00 25.89 C +ATOM 361 CD GLU A 47 33.527 14.088 27.145 1.00 31.65 C +ATOM 362 OE1 GLU A 47 32.676 13.308 27.627 1.00 35.17 O +ATOM 363 OE2 GLU A 47 33.237 15.248 26.768 1.00 36.66 O +ATOM 364 N LYS A 48 36.524 9.221 27.386 1.00 14.96 N +ATOM 365 CA LYS A 48 36.701 7.917 27.995 1.00 16.87 C +ATOM 366 C LYS A 48 38.159 7.481 28.018 1.00 18.64 C +ATOM 367 O LYS A 48 38.642 6.970 29.030 1.00 21.17 O +ATOM 368 CB LYS A 48 35.867 6.866 27.262 1.00 12.59 C +ATOM 369 CG LYS A 48 36.086 5.448 27.756 1.00 13.39 C +ATOM 370 CD LYS A 48 35.082 4.485 27.126 1.00 13.35 C +ATOM 371 CE LYS A 48 35.268 3.062 27.617 1.00 10.12 C +ATOM 372 NZ LYS A 48 34.321 2.179 26.884 1.00 11.42 N +ATOM 373 N TYR A 49 38.842 7.639 26.887 1.00 18.27 N +ATOM 374 CA TYR A 49 40.246 7.265 26.750 1.00 17.06 C +ATOM 375 C TYR A 49 41.117 8.520 26.765 1.00 18.70 C +ATOM 376 O TYR A 49 41.349 9.118 25.720 1.00 16.67 O +ATOM 377 CB TYR A 49 40.476 6.528 25.419 1.00 17.60 C +ATOM 378 CG TYR A 49 39.750 5.207 25.260 1.00 16.00 C +ATOM 379 CD1 TYR A 49 40.303 4.023 25.747 1.00 15.67 C +ATOM 380 CD2 TYR A 49 38.524 5.135 24.595 1.00 14.02 C +ATOM 381 CE1 TYR A 49 39.662 2.799 25.573 1.00 13.73 C +ATOM 382 CE2 TYR A 49 37.868 3.910 24.417 1.00 11.85 C +ATOM 383 CZ TYR A 49 38.450 2.748 24.908 1.00 13.46 C +ATOM 384 OH TYR A 49 37.835 1.523 24.711 1.00 15.47 O +ATOM 385 N SER A 50 41.609 8.913 27.938 1.00 18.49 N +ATOM 386 CA SER A 50 42.457 10.103 28.054 1.00 20.60 C +ATOM 387 C SER A 50 43.926 9.876 27.640 1.00 19.45 C +ATOM 388 O SER A 50 44.692 10.825 27.513 1.00 20.31 O +ATOM 389 CB SER A 50 42.393 10.654 29.478 1.00 22.27 C +ATOM 390 OG SER A 50 42.620 9.619 30.411 1.00 28.45 O +ATOM 391 N ASN A 51 44.299 8.627 27.386 1.00 19.17 N +ATOM 392 CA ASN A 51 45.659 8.281 26.973 1.00 20.95 C +ATOM 393 C ASN A 51 45.765 8.090 25.444 1.00 21.20 C +ATOM 394 O ASN A 51 46.679 7.421 24.944 1.00 23.55 O +ATOM 395 CB ASN A 51 46.128 7.022 27.714 1.00 22.22 C +ATOM 396 CG ASN A 51 45.207 5.819 27.493 1.00 26.87 C +ATOM 397 OD1 ASN A 51 45.674 4.725 27.156 1.00 29.18 O +ATOM 398 ND2 ASN A 51 43.905 5.996 27.747 1.00 24.21 N +ATOM 399 N VAL A 52 44.827 8.687 24.713 1.00 17.66 N +ATOM 400 CA VAL A 52 44.772 8.601 23.250 1.00 14.23 C +ATOM 401 C VAL A 52 44.399 10.011 22.780 1.00 12.97 C +ATOM 402 O VAL A 52 43.589 10.688 23.413 1.00 11.94 O +ATOM 403 CB VAL A 52 43.649 7.612 22.760 1.00 15.43 C +ATOM 404 CG1 VAL A 52 43.568 7.615 21.216 1.00 14.39 C +ATOM 405 CG2 VAL A 52 43.888 6.182 23.269 1.00 10.98 C +ATOM 406 N ILE A 53 44.988 10.447 21.678 1.00 13.60 N +ATOM 407 CA ILE A 53 44.730 11.781 21.136 1.00 12.62 C +ATOM 408 C ILE A 53 43.779 11.652 19.943 1.00 12.47 C +ATOM 409 O ILE A 53 44.015 10.844 19.046 1.00 9.98 O +ATOM 410 CB ILE A 53 46.090 12.480 20.742 1.00 13.60 C +ATOM 411 CG1 ILE A 53 46.856 12.858 22.008 1.00 16.56 C +ATOM 412 CG2 ILE A 53 45.874 13.733 19.906 1.00 11.85 C +ATOM 413 CD1 ILE A 53 48.336 12.950 21.787 1.00 19.83 C +ATOM 414 N PHE A 54 42.694 12.431 19.977 1.00 12.78 N +ATOM 415 CA PHE A 54 41.660 12.453 18.930 1.00 11.95 C +ATOM 416 C PHE A 54 41.705 13.778 18.167 1.00 12.71 C +ATOM 417 O PHE A 54 41.633 14.854 18.780 1.00 10.76 O +ATOM 418 CB PHE A 54 40.262 12.255 19.544 1.00 12.13 C +ATOM 419 CG PHE A 54 40.081 10.917 20.210 1.00 11.22 C +ATOM 420 CD1 PHE A 54 40.512 10.711 21.518 1.00 11.17 C +ATOM 421 CD2 PHE A 54 39.500 9.858 19.527 1.00 11.21 C +ATOM 422 CE1 PHE A 54 40.361 9.450 22.135 1.00 10.43 C +ATOM 423 CE2 PHE A 54 39.344 8.595 20.137 1.00 9.75 C +ATOM 424 CZ PHE A 54 39.776 8.398 21.436 1.00 5.16 C +ATOM 425 N LEU A 55 41.794 13.692 16.839 1.00 10.78 N +ATOM 426 CA LEU A 55 41.897 14.863 15.975 1.00 12.73 C +ATOM 427 C LEU A 55 40.799 14.820 14.914 1.00 13.15 C +ATOM 428 O LEU A 55 40.430 13.728 14.464 1.00 12.59 O +ATOM 429 CB LEU A 55 43.245 14.848 15.235 1.00 12.59 C +ATOM 430 CG LEU A 55 44.544 15.445 15.784 1.00 16.29 C +ATOM 431 CD1 LEU A 55 44.698 15.174 17.242 1.00 17.07 C +ATOM 432 CD2 LEU A 55 45.737 14.901 14.994 1.00 16.13 C +ATOM 433 N GLU A 56 40.284 15.991 14.532 1.00 11.26 N +ATOM 434 CA GLU A 56 39.270 16.090 13.487 1.00 11.47 C +ATOM 435 C GLU A 56 39.760 16.999 12.366 1.00 8.90 C +ATOM 436 O GLU A 56 40.275 18.090 12.617 1.00 9.67 O +ATOM 437 CB GLU A 56 37.923 16.587 14.016 1.00 14.67 C +ATOM 438 CG GLU A 56 37.005 17.015 12.877 1.00 20.71 C +ATOM 439 CD GLU A 56 35.532 16.804 13.139 1.00 25.20 C +ATOM 440 OE1 GLU A 56 35.104 16.862 14.316 1.00 30.87 O +ATOM 441 OE2 GLU A 56 34.792 16.593 12.157 1.00 26.22 O +ATOM 442 N VAL A 57 39.570 16.551 11.132 1.00 7.06 N +ATOM 443 CA VAL A 57 40.002 17.287 9.961 1.00 8.07 C +ATOM 444 C VAL A 57 38.897 17.344 8.914 1.00 9.72 C +ATOM 445 O VAL A 57 38.491 16.301 8.382 1.00 7.84 O +ATOM 446 CB VAL A 57 41.221 16.603 9.292 1.00 9.06 C +ATOM 447 CG1 VAL A 57 41.546 17.289 7.964 1.00 7.37 C +ATOM 448 CG2 VAL A 57 42.421 16.594 10.237 1.00 8.98 C +ATOM 449 N ASP A 58 38.396 18.546 8.632 1.00 10.55 N +ATOM 450 CA ASP A 58 37.362 18.730 7.607 1.00 10.70 C +ATOM 451 C ASP A 58 38.108 18.712 6.280 1.00 8.28 C +ATOM 452 O ASP A 58 38.954 19.559 6.048 1.00 9.07 O +ATOM 453 CB ASP A 58 36.673 20.081 7.784 1.00 12.85 C +ATOM 454 CG ASP A 58 35.569 20.302 6.785 1.00 15.42 C +ATOM 455 OD1 ASP A 58 35.858 20.428 5.585 1.00 16.47 O +ATOM 456 OD2 ASP A 58 34.398 20.335 7.202 1.00 20.05 O +ATOM 457 N VAL A 59 37.752 17.793 5.394 1.00 8.88 N +ATOM 458 CA VAL A 59 38.443 17.662 4.105 1.00 11.43 C +ATOM 459 C VAL A 59 38.338 18.881 3.202 1.00 13.42 C +ATOM 460 O VAL A 59 39.183 19.095 2.321 1.00 12.75 O +ATOM 461 CB VAL A 59 37.958 16.432 3.309 1.00 11.95 C +ATOM 462 CG1 VAL A 59 38.219 15.110 4.034 1.00 8.51 C +ATOM 463 CG2 VAL A 59 36.455 16.459 3.024 1.00 11.24 C +ATOM 464 N ASN A 60 37.329 19.680 3.401 1.00 17.28 N +ATOM 465 CA ASN A 60 37.158 20.865 2.560 1.00 20.15 C +ATOM 466 C ASN A 60 38.090 21.989 3.044 1.00 19.44 C +ATOM 467 O ASN A 60 38.651 22.744 2.237 1.00 20.58 O +ATOM 468 CB ASN A 60 35.706 21.316 2.569 1.00 28.02 C +ATOM 469 CG ASN A 60 35.361 22.199 1.369 1.00 36.40 C +ATOM 470 OD1 ASN A 60 34.913 23.330 1.546 1.00 41.80 O +ATOM 471 ND2 ASN A 60 35.549 21.748 0.142 1.00 37.76 N +ATOM 472 N ASP A 61 38.239 22.054 4.357 1.00 13.13 N +ATOM 473 CA ASP A 61 39.082 23.066 5.028 1.00 12.30 C +ATOM 474 C ASP A 61 40.581 22.838 4.749 1.00 11.41 C +ATOM 475 O ASP A 61 41.339 23.784 4.509 1.00 13.30 O +ATOM 476 CB ASP A 61 38.893 23.000 6.542 1.00 9.90 C +ATOM 477 CG ASP A 61 37.623 23.697 7.029 1.00 9.41 C +ATOM 478 OD1 ASP A 61 36.810 24.227 6.182 1.00 11.48 O +ATOM 479 OD2 ASP A 61 37.366 23.750 8.293 1.00 13.11 O +ATOM 480 N CYS A 62 40.996 21.581 4.806 1.00 10.67 N +ATOM 481 CA CYS A 62 42.409 21.189 4.571 1.00 10.48 C +ATOM 482 C CYS A 62 42.490 20.223 3.394 1.00 11.20 C +ATOM 483 O CYS A 62 42.735 19.028 3.579 1.00 11.36 O +ATOM 484 CB CYS A 62 42.974 20.479 5.804 1.00 9.08 C +ATOM 485 SG CYS A 62 42.760 21.447 7.374 1.00 16.66 S +ATOM 486 N GLN A 63 42.330 20.748 2.187 1.00 10.59 N +ATOM 487 CA GLN A 63 42.369 19.927 0.979 1.00 13.48 C +ATOM 488 C GLN A 63 43.734 19.302 0.750 1.00 14.48 C +ATOM 489 O GLN A 63 43.836 18.188 0.224 1.00 12.18 O +ATOM 490 CB GLN A 63 41.882 20.738 -0.229 1.00 12.45 C +ATOM 491 CG GLN A 63 40.491 21.306 0.049 1.00 17.88 C +ATOM 492 CD GLN A 63 39.833 21.983 -1.133 1.00 21.60 C +ATOM 493 OE1 GLN A 63 40.203 21.758 -2.291 1.00 21.96 O +ATOM 494 NE2 GLN A 63 38.817 22.800 -0.846 1.00 22.14 N +ATOM 495 N ASP A 64 44.781 20.006 1.182 1.00 13.01 N +ATOM 496 CA ASP A 64 46.136 19.488 1.048 1.00 12.37 C +ATOM 497 C ASP A 64 46.383 18.264 1.932 1.00 11.91 C +ATOM 498 O ASP A 64 46.946 17.287 1.465 1.00 12.53 O +ATOM 499 CB ASP A 64 47.199 20.586 1.259 1.00 15.99 C +ATOM 500 CG ASP A 64 47.038 21.355 2.571 1.00 18.36 C +ATOM 501 OD1 ASP A 64 45.947 21.308 3.207 1.00 17.85 O +ATOM 502 OD2 ASP A 64 48.029 22.041 2.953 1.00 20.65 O +ATOM 503 N VAL A 65 45.883 18.281 3.167 1.00 9.77 N +ATOM 504 CA VAL A 65 46.046 17.143 4.083 1.00 10.53 C +ATOM 505 C VAL A 65 45.220 15.946 3.577 1.00 10.62 C +ATOM 506 O VAL A 65 45.719 14.824 3.507 1.00 10.23 O +ATOM 507 CB VAL A 65 45.627 17.503 5.557 1.00 9.64 C +ATOM 508 CG1 VAL A 65 45.729 16.270 6.481 1.00 9.54 C +ATOM 509 CG2 VAL A 65 46.500 18.629 6.102 1.00 7.98 C +ATOM 510 N ALA A 66 43.981 16.199 3.162 1.00 11.69 N +ATOM 511 CA ALA A 66 43.109 15.138 2.658 1.00 9.94 C +ATOM 512 C ALA A 66 43.761 14.433 1.460 1.00 12.51 C +ATOM 513 O ALA A 66 43.838 13.193 1.408 1.00 11.20 O +ATOM 514 CB ALA A 66 41.766 15.708 2.258 1.00 8.38 C +ATOM 515 N SER A 67 44.239 15.223 0.509 1.00 11.53 N +ATOM 516 CA SER A 67 44.879 14.695 -0.687 1.00 13.58 C +ATOM 517 C SER A 67 46.123 13.841 -0.383 1.00 14.29 C +ATOM 518 O SER A 67 46.289 12.762 -0.956 1.00 14.77 O +ATOM 519 CB SER A 67 45.243 15.851 -1.624 1.00 14.39 C +ATOM 520 OG SER A 67 45.654 15.363 -2.889 1.00 21.21 O +ATOM 521 N GLU A 68 46.983 14.306 0.520 1.00 14.09 N +ATOM 522 CA GLU A 68 48.199 13.574 0.874 1.00 15.20 C +ATOM 523 C GLU A 68 47.966 12.300 1.681 1.00 13.68 C +ATOM 524 O GLU A 68 48.727 11.341 1.563 1.00 11.74 O +ATOM 525 CB GLU A 68 49.181 14.498 1.588 1.00 18.62 C +ATOM 526 CG GLU A 68 49.733 15.574 0.663 1.00 24.64 C +ATOM 527 CD GLU A 68 50.636 16.554 1.370 1.00 28.93 C +ATOM 528 OE1 GLU A 68 51.068 16.262 2.512 1.00 30.01 O +ATOM 529 OE2 GLU A 68 50.906 17.623 0.777 1.00 29.89 O +ATOM 530 N CYS A 69 46.940 12.299 2.525 1.00 9.23 N +ATOM 531 CA CYS A 69 46.612 11.098 3.293 1.00 10.45 C +ATOM 532 C CYS A 69 45.760 10.137 2.431 1.00 8.32 C +ATOM 533 O CYS A 69 45.285 9.096 2.904 1.00 8.97 O +ATOM 534 CB CYS A 69 45.890 11.467 4.586 1.00 8.43 C +ATOM 535 SG CYS A 69 46.896 12.376 5.760 1.00 11.56 S +ATOM 536 N GLU A 70 45.543 10.523 1.176 1.00 10.46 N +ATOM 537 CA GLU A 70 44.794 9.743 0.206 1.00 13.51 C +ATOM 538 C GLU A 70 43.404 9.311 0.644 1.00 13.16 C +ATOM 539 O GLU A 70 43.024 8.154 0.471 1.00 11.90 O +ATOM 540 CB GLU A 70 45.629 8.536 -0.238 1.00 17.15 C +ATOM 541 CG GLU A 70 47.033 8.933 -0.706 1.00 22.44 C +ATOM 542 CD GLU A 70 47.822 7.780 -1.292 1.00 24.34 C +ATOM 543 OE1 GLU A 70 48.205 6.871 -0.529 1.00 28.66 O +ATOM 544 OE2 GLU A 70 48.069 7.786 -2.514 1.00 26.28 O +ATOM 545 N VAL A 71 42.643 10.258 1.192 1.00 11.68 N +ATOM 546 CA VAL A 71 41.271 10.013 1.648 1.00 11.53 C +ATOM 547 C VAL A 71 40.331 9.958 0.443 1.00 13.85 C +ATOM 548 O VAL A 71 40.492 10.734 -0.510 1.00 12.04 O +ATOM 549 CB VAL A 71 40.812 11.124 2.625 1.00 13.64 C +ATOM 550 CG1 VAL A 71 39.336 10.959 3.005 1.00 10.80 C +ATOM 551 CG2 VAL A 71 41.688 11.108 3.872 1.00 9.00 C +ATOM 552 N LYS A 72 39.386 9.019 0.462 1.00 14.44 N +ATOM 553 CA LYS A 72 38.424 8.886 -0.634 1.00 17.71 C +ATOM 554 C LYS A 72 36.970 8.601 -0.235 1.00 16.03 C +ATOM 555 O LYS A 72 36.079 8.675 -1.075 1.00 16.95 O +ATOM 556 CB LYS A 72 38.920 7.883 -1.687 1.00 21.38 C +ATOM 557 CG LYS A 72 39.325 6.529 -1.144 1.00 24.73 C +ATOM 558 CD LYS A 72 40.066 5.713 -2.203 1.00 29.60 C +ATOM 559 CE LYS A 72 41.475 6.270 -2.496 1.00 33.01 C +ATOM 560 NZ LYS A 72 42.478 5.968 -1.412 1.00 34.72 N +ATOM 561 N CYS A 73 36.730 8.330 1.047 1.00 16.52 N +ATOM 562 CA CYS A 73 35.385 8.052 1.575 1.00 16.81 C +ATOM 563 C CYS A 73 35.199 8.813 2.892 1.00 15.01 C +ATOM 564 O CYS A 73 36.173 9.126 3.571 1.00 17.46 O +ATOM 565 CB CYS A 73 35.203 6.552 1.865 1.00 17.58 C +ATOM 566 SG CYS A 73 35.101 5.459 0.422 1.00 19.65 S +ATOM 567 N MET A 74 33.962 9.106 3.262 1.00 12.63 N +ATOM 568 CA MET A 74 33.713 9.814 4.507 1.00 15.23 C +ATOM 569 C MET A 74 32.700 9.073 5.360 1.00 13.59 C +ATOM 570 O MET A 74 31.717 8.548 4.844 1.00 11.86 O +ATOM 571 CB MET A 74 33.208 11.241 4.257 1.00 18.68 C +ATOM 572 CG MET A 74 34.293 12.312 4.151 1.00 19.48 C +ATOM 573 SD MET A 74 34.863 12.476 2.489 1.00 26.59 S +ATOM 574 CE MET A 74 33.367 13.035 1.693 1.00 27.20 C +ATOM 575 N PRO A 75 33.004 8.897 6.652 1.00 11.99 N +ATOM 576 CA PRO A 75 34.251 9.356 7.282 1.00 11.61 C +ATOM 577 C PRO A 75 35.384 8.311 7.143 1.00 10.67 C +ATOM 578 O PRO A 75 35.125 7.130 6.872 1.00 9.38 O +ATOM 579 CB PRO A 75 33.848 9.521 8.752 1.00 11.82 C +ATOM 580 CG PRO A 75 32.849 8.414 8.950 1.00 12.38 C +ATOM 581 CD PRO A 75 32.033 8.424 7.656 1.00 12.27 C +ATOM 582 N THR A 76 36.632 8.753 7.243 1.00 8.73 N +ATOM 583 CA THR A 76 37.756 7.816 7.214 1.00 6.01 C +ATOM 584 C THR A 76 38.519 8.014 8.529 1.00 7.26 C +ATOM 585 O THR A 76 38.787 9.152 8.925 1.00 5.05 O +ATOM 586 CB THR A 76 38.729 8.063 6.027 1.00 9.04 C +ATOM 587 OG1 THR A 76 38.129 7.616 4.804 1.00 5.42 O +ATOM 588 CG2 THR A 76 40.044 7.279 6.230 1.00 10.02 C +ATOM 589 N PHE A 77 38.804 6.922 9.236 1.00 4.61 N +ATOM 590 CA PHE A 77 39.568 7.008 10.483 1.00 7.53 C +ATOM 591 C PHE A 77 40.952 6.451 10.204 1.00 5.81 C +ATOM 592 O PHE A 77 41.073 5.357 9.657 1.00 6.43 O +ATOM 593 CB PHE A 77 38.890 6.213 11.614 1.00 6.96 C +ATOM 594 CG PHE A 77 37.463 6.627 11.872 1.00 8.31 C +ATOM 595 CD1 PHE A 77 37.178 7.728 12.670 1.00 7.50 C +ATOM 596 CD2 PHE A 77 36.408 5.947 11.269 1.00 7.27 C +ATOM 597 CE1 PHE A 77 35.876 8.152 12.854 1.00 11.45 C +ATOM 598 CE2 PHE A 77 35.098 6.362 11.446 1.00 8.00 C +ATOM 599 CZ PHE A 77 34.828 7.465 12.236 1.00 11.35 C +ATOM 600 N GLN A 78 41.985 7.247 10.460 1.00 5.53 N +ATOM 601 CA GLN A 78 43.363 6.803 10.266 1.00 6.91 C +ATOM 602 C GLN A 78 44.035 6.799 11.628 1.00 9.44 C +ATOM 603 O GLN A 78 43.779 7.676 12.464 1.00 8.21 O +ATOM 604 CB GLN A 78 44.112 7.687 9.259 1.00 5.99 C +ATOM 605 CG GLN A 78 43.667 7.465 7.797 1.00 5.94 C +ATOM 606 CD GLN A 78 44.452 8.293 6.785 1.00 3.68 C +ATOM 607 OE1 GLN A 78 45.283 9.107 7.151 1.00 8.86 O +ATOM 608 NE2 GLN A 78 44.180 8.091 5.511 1.00 5.37 N +ATOM 609 N PHE A 79 44.828 5.765 11.878 1.00 9.27 N +ATOM 610 CA PHE A 79 45.509 5.592 13.171 1.00 10.67 C +ATOM 611 C PHE A 79 47.015 5.756 13.006 1.00 9.53 C +ATOM 612 O PHE A 79 47.580 5.227 12.053 1.00 8.45 O +ATOM 613 CB PHE A 79 45.174 4.200 13.743 1.00 8.10 C +ATOM 614 CG PHE A 79 43.698 3.954 13.915 1.00 8.85 C +ATOM 615 CD1 PHE A 79 42.886 3.689 12.811 1.00 10.38 C +ATOM 616 CD2 PHE A 79 43.108 4.030 15.171 1.00 11.30 C +ATOM 617 CE1 PHE A 79 41.489 3.512 12.960 1.00 10.29 C +ATOM 618 CE2 PHE A 79 41.721 3.853 15.333 1.00 11.36 C +ATOM 619 CZ PHE A 79 40.914 3.594 14.215 1.00 6.70 C +ATOM 620 N PHE A 80 47.651 6.501 13.914 1.00 9.83 N +ATOM 621 CA PHE A 80 49.099 6.763 13.861 1.00 12.55 C +ATOM 622 C PHE A 80 49.763 6.575 15.237 1.00 14.80 C +ATOM 623 O PHE A 80 49.204 6.942 16.278 1.00 13.59 O +ATOM 624 CB PHE A 80 49.384 8.225 13.434 1.00 10.35 C +ATOM 625 CG PHE A 80 48.812 8.615 12.070 1.00 10.82 C +ATOM 626 CD1 PHE A 80 47.500 9.094 11.971 1.00 12.28 C +ATOM 627 CD2 PHE A 80 49.606 8.507 10.921 1.00 10.54 C +ATOM 628 CE1 PHE A 80 46.981 9.462 10.723 1.00 11.90 C +ATOM 629 CE2 PHE A 80 49.087 8.875 9.674 1.00 11.64 C +ATOM 630 CZ PHE A 80 47.774 9.353 9.575 1.00 13.84 C +ATOM 631 N LYS A 81 50.948 5.998 15.179 1.00 17.39 N +ATOM 632 CA LYS A 81 51.824 5.787 16.344 1.00 21.45 C +ATOM 633 C LYS A 81 53.230 6.198 15.922 1.00 22.26 C +ATOM 634 O LYS A 81 53.760 5.695 14.929 1.00 22.99 O +ATOM 635 CB LYS A 81 51.860 4.305 16.753 1.00 25.00 C +ATOM 636 CG LYS A 81 50.526 3.755 17.262 1.00 30.12 C +ATOM 637 CD LYS A 81 50.696 2.721 18.383 1.00 31.63 C +ATOM 638 CE LYS A 81 51.188 3.349 19.688 1.00 32.06 C +ATOM 639 NZ LYS A 81 51.231 2.399 20.808 1.00 35.02 N +ATOM 640 N LYS A 82 53.810 7.113 16.655 1.00 24.15 N +ATOM 641 CA LYS A 82 55.168 7.607 16.361 1.00 26.51 C +ATOM 642 C LYS A 82 55.310 8.037 14.888 1.00 26.79 C +ATOM 643 O LYS A 82 56.155 7.522 14.149 1.00 28.23 O +ATOM 644 CB LYS A 82 56.211 6.535 16.683 1.00 27.17 C +ATOM 645 CG LYS A 82 56.870 6.744 18.053 1.00 28.46 C +ATOM 646 CD LYS A 82 56.245 5.882 19.151 1.00 33.32 C +ATOM 647 CE LYS A 82 56.521 4.389 18.962 1.00 33.90 C +ATOM 648 NZ LYS A 82 55.880 3.552 19.987 1.00 33.40 N +ATOM 649 N GLY A 83 54.440 8.946 14.457 1.00 26.85 N +ATOM 650 CA GLY A 83 54.476 9.443 13.091 1.00 25.19 C +ATOM 651 C GLY A 83 54.093 8.480 11.975 1.00 26.71 C +ATOM 652 O GLY A 83 53.993 8.910 10.818 1.00 26.51 O +ATOM 653 N GLN A 84 53.841 7.208 12.293 1.00 25.02 N +ATOM 654 CA GLN A 84 53.483 6.225 11.266 1.00 24.91 C +ATOM 655 C GLN A 84 52.037 5.731 11.304 1.00 21.89 C +ATOM 656 O GLN A 84 51.487 5.480 12.378 1.00 20.97 O +ATOM 657 CB GLN A 84 54.416 5.015 11.339 1.00 30.22 C +ATOM 658 CG GLN A 84 54.067 3.945 10.309 1.00 39.85 C +ATOM 659 CD GLN A 84 54.740 2.599 10.545 1.00 45.60 C +ATOM 660 OE1 GLN A 84 54.546 1.658 9.760 1.00 49.44 O +ATOM 661 NE2 GLN A 84 55.532 2.492 11.608 1.00 47.34 N +ATOM 662 N LYS A 85 51.447 5.550 10.123 1.00 19.19 N +ATOM 663 CA LYS A 85 50.078 5.061 10.002 1.00 17.22 C +ATOM 664 C LYS A 85 50.069 3.560 10.273 1.00 16.58 C +ATOM 665 O LYS A 85 50.718 2.785 9.569 1.00 17.69 O +ATOM 666 CB LYS A 85 49.512 5.352 8.600 1.00 17.72 C +ATOM 667 CG LYS A 85 48.015 5.018 8.452 1.00 18.54 C +ATOM 668 CD LYS A 85 47.429 5.465 7.118 1.00 18.49 C +ATOM 669 CE LYS A 85 48.102 4.769 5.947 1.00 22.37 C +ATOM 670 NZ LYS A 85 47.675 5.286 4.618 1.00 27.52 N +ATOM 671 N VAL A 86 49.358 3.157 11.316 1.00 17.55 N +ATOM 672 CA VAL A 86 49.280 1.750 11.696 1.00 16.16 C +ATOM 673 C VAL A 86 47.898 1.117 11.531 1.00 15.49 C +ATOM 674 O VAL A 86 47.675 -0.022 11.953 1.00 15.29 O +ATOM 675 CB VAL A 86 49.774 1.546 13.139 1.00 12.58 C +ATOM 676 CG1 VAL A 86 51.236 1.911 13.233 1.00 15.85 C +ATOM 677 CG2 VAL A 86 48.974 2.400 14.098 1.00 14.38 C +ATOM 678 N GLY A 87 46.975 1.852 10.915 1.00 14.21 N +ATOM 679 CA GLY A 87 45.632 1.342 10.691 1.00 12.74 C +ATOM 680 C GLY A 87 44.748 2.307 9.916 1.00 11.62 C +ATOM 681 O GLY A 87 45.015 3.521 9.889 1.00 10.09 O +ATOM 682 N GLU A 88 43.663 1.786 9.358 1.00 9.75 N +ATOM 683 CA GLU A 88 42.757 2.600 8.574 1.00 11.50 C +ATOM 684 C GLU A 88 41.496 1.873 8.092 1.00 12.42 C +ATOM 685 O GLU A 88 41.547 0.699 7.729 1.00 11.59 O +ATOM 686 CB GLU A 88 43.538 3.135 7.370 1.00 12.66 C +ATOM 687 CG GLU A 88 42.709 3.541 6.204 1.00 17.28 C +ATOM 688 CD GLU A 88 43.474 4.396 5.230 1.00 21.40 C +ATOM 689 OE1 GLU A 88 44.683 4.135 5.018 1.00 23.02 O +ATOM 690 OE2 GLU A 88 42.866 5.340 4.685 1.00 23.31 O +ATOM 691 N PHE A 89 40.366 2.574 8.111 1.00 9.62 N +ATOM 692 CA PHE A 89 39.108 2.038 7.598 1.00 10.54 C +ATOM 693 C PHE A 89 38.139 3.207 7.420 1.00 10.69 C +ATOM 694 O PHE A 89 38.398 4.300 7.923 1.00 13.01 O +ATOM 695 CB PHE A 89 38.528 0.914 8.496 1.00 9.37 C +ATOM 696 CG PHE A 89 37.884 1.391 9.777 1.00 11.28 C +ATOM 697 CD1 PHE A 89 36.555 1.830 9.788 1.00 11.99 C +ATOM 698 CD2 PHE A 89 38.597 1.375 10.976 1.00 11.11 C +ATOM 699 CE1 PHE A 89 35.944 2.245 10.963 1.00 10.73 C +ATOM 700 CE2 PHE A 89 38.001 1.786 12.170 1.00 11.53 C +ATOM 701 CZ PHE A 89 36.664 2.225 12.163 1.00 11.33 C +ATOM 702 N SER A 90 37.082 3.013 6.637 1.00 10.00 N +ATOM 703 CA SER A 90 36.087 4.066 6.436 1.00 10.88 C +ATOM 704 C SER A 90 34.683 3.554 6.777 1.00 11.26 C +ATOM 705 O SER A 90 34.461 2.334 6.849 1.00 10.25 O +ATOM 706 CB SER A 90 36.137 4.608 5.004 1.00 12.18 C +ATOM 707 OG SER A 90 36.088 3.569 4.049 1.00 17.83 O +ATOM 708 N GLY A 91 33.756 4.485 7.003 1.00 10.26 N +ATOM 709 CA GLY A 91 32.392 4.133 7.351 1.00 9.31 C +ATOM 710 C GLY A 91 32.141 4.420 8.817 1.00 12.06 C +ATOM 711 O GLY A 91 33.073 4.366 9.633 1.00 12.18 O +ATOM 712 N ALA A 92 30.886 4.697 9.170 1.00 12.01 N +ATOM 713 CA ALA A 92 30.543 5.019 10.550 1.00 14.75 C +ATOM 714 C ALA A 92 30.183 3.795 11.395 1.00 15.70 C +ATOM 715 O ALA A 92 29.043 3.647 11.845 1.00 21.06 O +ATOM 716 CB ALA A 92 29.406 6.060 10.586 1.00 13.48 C +ATOM 717 N ASN A 93 31.162 2.934 11.655 1.00 13.40 N +ATOM 718 CA ASN A 93 30.913 1.732 12.449 1.00 11.43 C +ATOM 719 C ASN A 93 31.457 1.940 13.860 1.00 10.06 C +ATOM 720 O ASN A 93 32.664 1.892 14.067 1.00 11.60 O +ATOM 721 CB ASN A 93 31.595 0.540 11.794 1.00 11.55 C +ATOM 722 CG ASN A 93 31.207 -0.785 12.424 1.00 11.23 C +ATOM 723 OD1 ASN A 93 30.985 -0.893 13.626 1.00 14.30 O +ATOM 724 ND2 ASN A 93 31.147 -1.809 11.603 1.00 15.40 N +ATOM 725 N LYS A 94 30.566 2.176 14.816 1.00 8.39 N +ATOM 726 CA LYS A 94 30.951 2.419 16.203 1.00 10.87 C +ATOM 727 C LYS A 94 31.742 1.299 16.902 1.00 11.47 C +ATOM 728 O LYS A 94 32.708 1.569 17.614 1.00 12.43 O +ATOM 729 CB LYS A 94 29.718 2.746 17.036 1.00 11.96 C +ATOM 730 CG LYS A 94 28.951 3.990 16.596 1.00 17.20 C +ATOM 731 CD LYS A 94 27.729 4.183 17.494 1.00 17.71 C +ATOM 732 CE LYS A 94 26.943 5.425 17.118 1.00 19.80 C +ATOM 733 NZ LYS A 94 25.832 5.653 18.090 1.00 18.83 N +ATOM 734 N GLU A 95 31.310 0.055 16.735 1.00 13.91 N +ATOM 735 CA GLU A 95 31.980 -1.076 17.363 1.00 14.77 C +ATOM 736 C GLU A 95 33.401 -1.242 16.847 1.00 10.85 C +ATOM 737 O GLU A 95 34.342 -1.449 17.607 1.00 10.94 O +ATOM 738 CB GLU A 95 31.215 -2.378 17.095 1.00 19.37 C +ATOM 739 CG GLU A 95 29.983 -2.637 17.962 1.00 28.33 C +ATOM 740 CD GLU A 95 29.555 -4.123 17.943 1.00 34.01 C +ATOM 741 OE1 GLU A 95 29.724 -4.810 16.897 1.00 34.61 O +ATOM 742 OE2 GLU A 95 29.065 -4.609 18.990 1.00 37.33 O +ATOM 743 N LYS A 96 33.542 -1.179 15.536 1.00 7.42 N +ATOM 744 CA LYS A 96 34.837 -1.349 14.906 1.00 9.01 C +ATOM 745 C LYS A 96 35.811 -0.239 15.317 1.00 9.37 C +ATOM 746 O LYS A 96 36.992 -0.505 15.572 1.00 9.94 O +ATOM 747 CB LYS A 96 34.671 -1.421 13.385 1.00 8.66 C +ATOM 748 CG LYS A 96 35.961 -1.636 12.638 1.00 10.26 C +ATOM 749 CD LYS A 96 35.775 -1.512 11.135 1.00 13.12 C +ATOM 750 CE LYS A 96 34.967 -2.655 10.565 1.00 16.80 C +ATOM 751 NZ LYS A 96 34.799 -2.460 9.092 1.00 18.61 N +ATOM 752 N LEU A 97 35.303 0.988 15.439 1.00 8.81 N +ATOM 753 CA LEU A 97 36.131 2.120 15.836 1.00 9.61 C +ATOM 754 C LEU A 97 36.750 1.853 17.215 1.00 11.70 C +ATOM 755 O LEU A 97 37.979 1.825 17.351 1.00 12.14 O +ATOM 756 CB LEU A 97 35.310 3.418 15.854 1.00 9.08 C +ATOM 757 CG LEU A 97 36.013 4.703 16.327 1.00 9.96 C +ATOM 758 CD1 LEU A 97 37.319 4.919 15.557 1.00 9.00 C +ATOM 759 CD2 LEU A 97 35.073 5.915 16.171 1.00 6.12 C +ATOM 760 N GLU A 98 35.906 1.583 18.210 1.00 10.31 N +ATOM 761 CA GLU A 98 36.384 1.318 19.563 1.00 9.21 C +ATOM 762 C GLU A 98 37.230 0.038 19.680 1.00 10.99 C +ATOM 763 O GLU A 98 38.202 -0.010 20.435 1.00 11.27 O +ATOM 764 CB GLU A 98 35.221 1.273 20.557 1.00 8.84 C +ATOM 765 CG GLU A 98 35.703 1.125 22.008 1.00 12.39 C +ATOM 766 CD GLU A 98 34.662 1.520 23.042 1.00 13.16 C +ATOM 767 OE1 GLU A 98 33.474 1.650 22.696 1.00 15.05 O +ATOM 768 OE2 GLU A 98 35.039 1.716 24.212 1.00 14.71 O +ATOM 769 N ALA A 99 36.856 -0.991 18.931 1.00 11.01 N +ATOM 770 CA ALA A 99 37.584 -2.259 18.943 1.00 12.80 C +ATOM 771 C ALA A 99 39.003 -2.067 18.390 1.00 14.55 C +ATOM 772 O ALA A 99 39.961 -2.649 18.915 1.00 13.20 O +ATOM 773 CB ALA A 99 36.831 -3.315 18.123 1.00 11.18 C +ATOM 774 N THR A 100 39.134 -1.231 17.358 1.00 11.11 N +ATOM 775 CA THR A 100 40.437 -0.957 16.749 1.00 12.43 C +ATOM 776 C THR A 100 41.341 -0.203 17.744 1.00 13.26 C +ATOM 777 O THR A 100 42.528 -0.531 17.913 1.00 13.65 O +ATOM 778 CB THR A 100 40.267 -0.169 15.418 1.00 12.10 C +ATOM 779 OG1 THR A 100 39.407 -0.910 14.544 1.00 10.64 O +ATOM 780 CG2 THR A 100 41.617 0.011 14.712 1.00 10.97 C +ATOM 781 N ILE A 101 40.758 0.768 18.440 1.00 12.45 N +ATOM 782 CA ILE A 101 41.483 1.544 19.430 1.00 11.98 C +ATOM 783 C ILE A 101 42.029 0.625 20.535 1.00 12.81 C +ATOM 784 O ILE A 101 43.154 0.798 20.981 1.00 11.83 O +ATOM 785 CB ILE A 101 40.573 2.642 20.042 1.00 12.52 C +ATOM 786 CG1 ILE A 101 40.290 3.724 18.992 1.00 12.41 C +ATOM 787 CG2 ILE A 101 41.197 3.226 21.326 1.00 12.85 C +ATOM 788 CD1 ILE A 101 39.306 4.826 19.448 1.00 12.67 C +ATOM 789 N ASN A 102 41.266 -0.385 20.943 1.00 13.27 N +ATOM 790 CA ASN A 102 41.739 -1.283 22.002 1.00 15.09 C +ATOM 791 C ASN A 102 42.890 -2.183 21.524 1.00 14.85 C +ATOM 792 O ASN A 102 43.727 -2.601 22.313 1.00 12.07 O +ATOM 793 CB ASN A 102 40.579 -2.122 22.571 1.00 16.45 C +ATOM 794 CG ASN A 102 39.713 -1.335 23.553 1.00 18.88 C +ATOM 795 OD1 ASN A 102 39.999 -1.275 24.756 1.00 20.00 O +ATOM 796 ND2 ASN A 102 38.666 -0.705 23.038 1.00 19.62 N +ATOM 797 N GLU A 103 42.947 -2.424 20.218 1.00 14.44 N +ATOM 798 CA GLU A 103 43.976 -3.263 19.615 1.00 16.29 C +ATOM 799 C GLU A 103 45.314 -2.526 19.445 1.00 17.27 C +ATOM 800 O GLU A 103 46.391 -3.122 19.595 1.00 16.26 O +ATOM 801 CB GLU A 103 43.520 -3.760 18.239 1.00 13.03 C +ATOM 802 CG GLU A 103 44.099 -5.127 17.861 1.00 16.75 C +ATOM 803 CD GLU A 103 45.552 -5.061 17.383 1.00 21.64 C +ATOM 804 OE1 GLU A 103 45.887 -4.256 16.433 1.00 21.54 O +ATOM 805 OE2 GLU A 103 46.442 -5.816 17.933 1.00 21.24 O +ATOM 806 N LEU A 104 45.237 -1.240 19.151 1.00 16.53 N +ATOM 807 CA LEU A 104 46.442 -0.439 18.849 1.00 17.61 C +ATOM 808 C LEU A 104 46.983 0.392 20.037 1.00 18.82 C +ATOM 809 O LEU A 104 48.141 0.828 20.036 1.00 20.60 O +ATOM 810 CB LEU A 104 46.153 0.556 17.725 1.00 15.45 C +ATOM 811 CG LEU A 104 45.954 -0.109 16.359 1.00 15.77 C +ATOM 812 CD1 LEU A 104 45.378 0.852 15.314 1.00 13.84 C +ATOM 813 CD2 LEU A 104 47.254 -0.651 15.760 1.00 12.91 C +ATOM 814 N VAL A 105 46.177 0.631 21.057 1.00 18.73 N +ATOM 815 CA VAL A 105 46.630 1.472 22.195 1.00 21.47 C +ATOM 816 C VAL A 105 47.811 0.845 22.909 1.00 22.76 C +ATOM 817 O VAL A 105 47.841 -0.393 23.052 1.00 23.03 O +ATOM 818 CB VAL A 105 45.500 1.719 23.188 1.00 23.19 C +ATOM 819 CG1 VAL A 105 45.013 0.446 23.869 1.00 24.79 C +ATOM 820 CG2 VAL A 105 45.908 2.681 24.309 1.00 24.56 C +ATOM 821 OXT VAL A 105 48.719 1.608 23.283 1.00 27.01 O Added: SwiftApps/modFTdock/input/indata/1bmp-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1bmp-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1bmp-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,828 @@ +ATOM 1 N GLN A 36 34.240 52.979 13.722 1.00 39.49 N +ATOM 2 CA GLN A 36 33.616 53.368 12.431 1.00 36.72 C +ATOM 3 C GLN A 36 33.162 52.070 11.745 1.00 30.49 C +ATOM 4 O GLN A 36 32.872 52.074 10.543 1.00 30.60 O +ATOM 5 CB GLN A 36 34.661 54.074 11.560 1.00 45.47 C +ATOM 6 CG GLN A 36 34.419 55.545 11.283 1.00 54.81 C +ATOM 7 CD GLN A 36 35.440 56.119 10.322 1.00 64.37 C +ATOM 8 OE1 GLN A 36 35.138 56.766 9.322 1.00 63.97 O +ATOM 9 NE2 GLN A 36 36.711 55.821 10.604 1.00 69.09 N +ATOM 10 N ALA A 37 33.319 50.976 12.470 1.00 25.56 N +ATOM 11 CA ALA A 37 33.211 49.630 11.876 1.00 24.66 C +ATOM 12 C ALA A 37 31.815 49.465 11.278 1.00 24.33 C +ATOM 13 O ALA A 37 30.906 50.203 11.675 1.00 29.15 O +ATOM 14 CB ALA A 37 33.551 48.539 12.865 1.00 19.46 C +ATOM 15 N CYS A 38 31.678 48.551 10.355 1.00 21.41 N +ATOM 16 CA CYS A 38 30.402 48.274 9.698 1.00 22.06 C +ATOM 17 C CYS A 38 29.415 47.695 10.715 1.00 23.08 C +ATOM 18 O CYS A 38 29.714 46.673 11.330 1.00 22.51 O +ATOM 19 CB CYS A 38 30.557 47.303 8.535 1.00 20.83 C +ATOM 20 SG CYS A 38 28.988 46.617 7.976 1.00 21.73 S +ATOM 21 N LYS A 39 28.288 48.372 10.827 1.00 25.32 N +ATOM 22 CA LYS A 39 27.174 48.008 11.686 1.00 24.55 C +ATOM 23 C LYS A 39 25.860 48.607 11.177 1.00 23.98 C +ATOM 24 O LYS A 39 25.828 49.426 10.234 1.00 23.36 O +ATOM 25 CB LYS A 39 27.383 48.371 13.138 1.00 26.00 C +ATOM 26 CG LYS A 39 28.070 49.702 13.405 1.00 36.63 C +ATOM 27 CD LYS A 39 27.782 50.194 14.818 1.00 40.72 C +ATOM 28 CE LYS A 39 27.686 51.704 14.890 1.00 48.52 C +ATOM 29 NZ LYS A 39 28.976 52.341 14.493 1.00 52.36 N +ATOM 30 N LYS A 40 24.804 48.044 11.738 1.00 21.60 N +ATOM 31 CA LYS A 40 23.425 48.472 11.468 1.00 22.09 C +ATOM 32 C LYS A 40 23.138 49.680 12.371 1.00 25.22 C +ATOM 33 O LYS A 40 23.379 49.554 13.585 1.00 29.47 O +ATOM 34 CB LYS A 40 22.444 47.374 11.885 1.00 22.07 C +ATOM 35 CG LYS A 40 20.971 47.788 11.821 1.00 22.51 C +ATOM 36 CD LYS A 40 20.087 46.557 12.012 1.00 28.59 C +ATOM 37 CE LYS A 40 19.963 46.225 13.488 1.00 34.57 C +ATOM 38 NZ LYS A 40 19.028 45.096 13.713 1.00 40.94 N +ATOM 39 N HIS A 41 22.437 50.639 11.817 1.00 24.32 N +ATOM 40 CA HIS A 41 22.066 51.875 12.525 1.00 24.27 C +ATOM 41 C HIS A 41 20.552 52.087 12.434 1.00 26.35 C +ATOM 42 O HIS A 41 19.900 51.609 11.491 1.00 29.02 O +ATOM 43 CB HIS A 41 22.724 53.120 11.871 1.00 26.11 C +ATOM 44 CG HIS A 41 24.211 52.972 11.780 1.00 27.58 C +ATOM 45 ND1 HIS A 41 25.099 53.690 12.529 1.00 29.09 N +ATOM 46 CD2 HIS A 41 24.945 52.072 11.077 1.00 27.70 C +ATOM 47 CE1 HIS A 41 26.327 53.331 12.203 1.00 32.63 C +ATOM 48 NE2 HIS A 41 26.255 52.310 11.378 1.00 35.56 N +ATOM 49 N GLU A 42 20.062 52.944 13.310 1.00 25.74 N +ATOM 50 CA GLU A 42 18.626 53.229 13.424 1.00 22.69 C +ATOM 51 C GLU A 42 18.205 54.285 12.410 1.00 20.14 C +ATOM 52 O GLU A 42 19.074 54.974 11.860 1.00 23.27 O +ATOM 53 CB GLU A 42 18.230 53.690 14.814 1.00 22.36 C +ATOM 54 CG GLU A 42 18.718 52.822 15.972 1.00 40.60 C +ATOM 55 CD GLU A 42 17.801 52.713 17.149 1.00 52.30 C +ATOM 56 OE1 GLU A 42 16.615 52.988 17.125 1.00 54.81 O +ATOM 57 OE2 GLU A 42 18.369 52.206 18.143 1.00 61.59 O +ATOM 58 N LEU A 43 17.032 54.046 11.853 1.00 16.22 N +ATOM 59 CA LEU A 43 16.386 54.912 10.880 1.00 16.55 C +ATOM 60 C LEU A 43 14.874 54.620 10.902 1.00 19.90 C +ATOM 61 O LEU A 43 14.465 53.453 10.739 1.00 22.05 O +ATOM 62 CB LEU A 43 16.972 54.711 9.471 1.00 11.74 C +ATOM 63 CG LEU A 43 16.327 55.657 8.458 1.00 7.06 C +ATOM 64 CD1 LEU A 43 16.752 57.080 8.788 1.00 4.33 C +ATOM 65 CD2 LEU A 43 16.619 55.274 7.023 1.00 2.00 C +ATOM 66 N TYR A 44 14.126 55.699 11.066 1.00 18.36 N +ATOM 67 CA TYR A 44 12.670 55.639 11.194 1.00 15.27 C +ATOM 68 C TYR A 44 11.951 56.402 10.110 1.00 15.95 C +ATOM 69 O TYR A 44 12.390 57.483 9.665 1.00 22.46 O +ATOM 70 CB TYR A 44 12.220 55.973 12.604 1.00 10.83 C +ATOM 71 CG TYR A 44 10.724 55.881 12.786 1.00 21.80 C +ATOM 72 CD1 TYR A 44 9.884 56.658 11.978 1.00 28.25 C +ATOM 73 CD2 TYR A 44 10.139 54.942 13.628 1.00 23.64 C +ATOM 74 CE1 TYR A 44 8.501 56.630 12.141 1.00 34.01 C +ATOM 75 CE2 TYR A 44 8.753 54.818 13.698 1.00 32.32 C +ATOM 76 CZ TYR A 44 7.934 55.677 12.985 1.00 36.94 C +ATOM 77 OH TYR A 44 6.573 55.575 13.120 1.00 41.22 O +ATOM 78 N VAL A 45 11.113 55.691 9.375 1.00 12.80 N +ATOM 79 CA VAL A 45 10.392 56.308 8.253 1.00 10.72 C +ATOM 80 C VAL A 45 8.974 56.670 8.661 1.00 13.08 C +ATOM 81 O VAL A 45 8.326 55.945 9.438 1.00 15.49 O +ATOM 82 CB VAL A 45 10.538 55.467 6.991 1.00 7.69 C +ATOM 83 CG1 VAL A 45 10.026 56.200 5.750 1.00 2.40 C +ATOM 84 CG2 VAL A 45 12.016 55.088 6.809 1.00 11.30 C +ATOM 85 N SER A 46 8.710 57.967 8.558 1.00 12.98 N +ATOM 86 CA SER A 46 7.361 58.468 8.833 1.00 12.12 C +ATOM 87 C SER A 46 6.644 58.533 7.488 1.00 10.28 C +ATOM 88 O SER A 46 7.151 59.249 6.606 1.00 12.17 O +ATOM 89 CB SER A 46 7.374 59.847 9.467 1.00 16.97 C +ATOM 90 OG SER A 46 6.158 60.002 10.202 1.00 28.25 O +ATOM 91 N PHE A 47 5.656 57.684 7.315 1.00 8.65 N +ATOM 92 CA PHE A 47 4.903 57.683 6.043 1.00 9.76 C +ATOM 93 C PHE A 47 4.617 59.115 5.620 1.00 14.32 C +ATOM 94 O PHE A 47 4.793 59.477 4.443 1.00 16.46 O +ATOM 95 CB PHE A 47 3.722 56.736 6.074 1.00 11.69 C +ATOM 96 CG PHE A 47 4.111 55.285 6.115 1.00 14.12 C +ATOM 97 CD1 PHE A 47 5.087 54.817 5.222 1.00 15.22 C +ATOM 98 CD2 PHE A 47 3.468 54.389 6.946 1.00 9.82 C +ATOM 99 CE1 PHE A 47 5.545 53.512 5.281 1.00 12.19 C +ATOM 100 CE2 PHE A 47 3.817 53.031 6.915 1.00 17.68 C +ATOM 101 CZ PHE A 47 4.892 52.609 6.122 1.00 13.29 C +ATOM 102 N ARG A 48 4.423 59.975 6.609 1.00 16.03 N +ATOM 103 CA ARG A 48 4.225 61.410 6.383 1.00 14.00 C +ATOM 104 C ARG A 48 5.323 62.008 5.524 1.00 14.38 C +ATOM 105 O ARG A 48 5.049 62.795 4.614 1.00 16.35 O +ATOM 106 CB ARG A 48 4.076 62.195 7.678 1.00 16.07 C +ATOM 107 CG ARG A 48 2.633 62.349 8.134 1.00 28.90 C +ATOM 108 CD ARG A 48 2.530 63.163 9.384 1.00 39.56 C +ATOM 109 NE ARG A 48 1.147 63.157 9.860 1.00 51.32 N +ATOM 110 CZ ARG A 48 0.757 63.717 11.006 1.00 53.83 C +ATOM 111 NH1 ARG A 48 1.542 64.567 11.652 1.00 51.41 N +ATOM 112 NH2 ARG A 48 -0.463 63.445 11.467 1.00 56.96 N +ATOM 113 N ASP A 49 6.554 61.703 5.859 1.00 18.59 N +ATOM 114 CA ASP A 49 7.733 62.196 5.154 1.00 22.79 C +ATOM 115 C ASP A 49 7.650 61.790 3.675 1.00 25.79 C +ATOM 116 O ASP A 49 8.475 62.375 2.942 1.00 30.12 O +ATOM 117 CB ASP A 49 9.062 61.734 5.746 1.00 23.42 C +ATOM 118 CG ASP A 49 9.220 62.073 7.213 1.00 31.38 C +ATOM 119 OD1 ASP A 49 8.488 62.938 7.722 1.00 30.93 O +ATOM 120 OD2 ASP A 49 9.988 61.312 7.842 1.00 34.28 O +ATOM 121 N LEU A 50 7.273 60.539 3.464 1.00 27.47 N +ATOM 122 CA LEU A 50 7.371 59.956 2.111 1.00 29.26 C +ATOM 123 C LEU A 50 6.148 60.379 1.280 1.00 30.24 C +ATOM 124 O LEU A 50 6.033 59.874 0.152 1.00 29.54 O +ATOM 125 CB LEU A 50 7.437 58.435 2.228 1.00 29.48 C +ATOM 126 CG LEU A 50 8.695 57.768 2.743 1.00 26.12 C +ATOM 127 CD1 LEU A 50 8.589 56.269 2.450 1.00 22.03 C +ATOM 128 CD2 LEU A 50 9.891 58.370 2.004 1.00 20.13 C +ATOM 129 N GLY A 51 5.167 60.930 1.965 1.00 31.39 N +ATOM 130 CA GLY A 51 3.969 61.481 1.324 1.00 32.89 C +ATOM 131 C GLY A 51 2.854 60.441 1.312 1.00 35.60 C +ATOM 132 O GLY A 51 1.675 60.766 1.076 1.00 36.69 O +ATOM 133 N TRP A 52 3.251 59.202 1.566 1.00 36.20 N +ATOM 134 CA TRP A 52 2.266 58.109 1.648 1.00 38.66 C +ATOM 135 C TRP A 52 1.344 58.374 2.842 1.00 39.73 C +ATOM 136 O TRP A 52 0.679 57.470 3.355 1.00 39.61 O +ATOM 137 CB TRP A 52 2.912 56.753 1.687 1.00 44.87 C +ATOM 138 CG TRP A 52 3.985 56.406 0.726 1.00 54.62 C +ATOM 139 CD1 TRP A 52 4.217 56.918 -0.516 1.00 56.70 C +ATOM 140 CD2 TRP A 52 4.985 55.376 0.920 1.00 58.53 C +ATOM 141 NE1 TRP A 52 5.308 56.310 -1.089 1.00 61.82 N +ATOM 142 CE2 TRP A 52 5.803 55.369 -0.227 1.00 60.73 C +ATOM 143 CE3 TRP A 52 5.270 54.502 1.970 1.00 54.95 C +ATOM 144 CZ2 TRP A 52 6.863 54.481 -0.377 1.00 56.06 C +ATOM 145 CZ3 TRP A 52 6.332 53.637 1.832 1.00 51.06 C +ATOM 146 CH2 TRP A 52 7.124 53.629 0.684 1.00 53.13 C +ATOM 147 N GLN A 53 1.322 59.616 3.267 1.00 43.19 N +ATOM 148 CA GLN A 53 0.626 60.060 4.480 1.00 45.15 C +ATOM 149 C GLN A 53 -0.823 59.579 4.477 1.00 46.00 C +ATOM 150 O GLN A 53 -1.421 59.482 5.559 1.00 46.47 O +ATOM 151 CB GLN A 53 0.648 61.592 4.619 1.00 49.21 C +ATOM 152 CG GLN A 53 1.447 62.289 3.533 1.00 58.25 C +ATOM 153 CD GLN A 53 2.102 63.574 3.993 1.00 66.81 C +ATOM 154 OE1 GLN A 53 2.829 64.259 3.263 1.00 66.26 O +ATOM 155 NE2 GLN A 53 1.761 63.955 5.227 1.00 68.90 N +ATOM 156 N ASP A 54 -1.403 59.475 3.297 1.00 47.08 N +ATOM 157 CA ASP A 54 -2.836 59.496 3.048 1.00 48.22 C +ATOM 158 C ASP A 54 -3.547 58.158 3.015 1.00 49.92 C +ATOM 159 O ASP A 54 -4.633 58.009 3.627 1.00 53.53 O +ATOM 160 CB ASP A 54 -3.153 60.394 1.849 1.00 49.60 C +ATOM 161 CG ASP A 54 -2.009 60.399 0.843 1.00 50.21 C +ATOM 162 OD1 ASP A 54 -1.514 59.320 0.480 1.00 42.99 O +ATOM 163 OD2 ASP A 54 -1.602 61.536 0.504 1.00 50.40 O +ATOM 164 N TRP A 55 -3.129 57.274 2.122 1.00 48.25 N +ATOM 165 CA TRP A 55 -3.732 55.965 1.943 1.00 45.53 C +ATOM 166 C TRP A 55 -3.559 54.991 3.109 1.00 42.25 C +ATOM 167 O TRP A 55 -4.197 53.910 3.002 1.00 43.01 O +ATOM 168 CB TRP A 55 -3.312 55.272 0.665 1.00 49.50 C +ATOM 169 CG TRP A 55 -2.816 56.090 -0.464 1.00 56.68 C +ATOM 170 CD1 TRP A 55 -3.539 56.489 -1.561 1.00 59.57 C +ATOM 171 CD2 TRP A 55 -1.425 56.276 -0.806 1.00 57.02 C +ATOM 172 NE1 TRP A 55 -2.691 56.934 -2.553 1.00 61.90 N +ATOM 173 CE2 TRP A 55 -1.395 56.788 -2.127 1.00 60.53 C +ATOM 174 CE3 TRP A 55 -0.235 56.075 -0.116 1.00 52.88 C +ATOM 175 CZ2 TRP A 55 -0.199 57.099 -2.768 1.00 57.64 C +ATOM 176 CZ3 TRP A 55 0.953 56.309 -0.783 1.00 52.53 C +ATOM 177 CH2 TRP A 55 0.978 56.820 -2.080 1.00 51.34 C +ATOM 178 N ILE A 56 -2.463 55.060 3.835 1.00 37.28 N +ATOM 179 CA ILE A 56 -2.093 54.102 4.882 1.00 30.82 C +ATOM 180 C ILE A 56 -2.848 54.424 6.185 1.00 30.61 C +ATOM 181 O ILE A 56 -2.250 55.177 6.982 1.00 34.59 O +ATOM 182 CB ILE A 56 -0.548 54.254 5.202 1.00 23.84 C +ATOM 183 CG1 ILE A 56 0.292 53.560 4.111 1.00 25.56 C +ATOM 184 CG2 ILE A 56 -0.197 53.739 6.620 1.00 17.41 C +ATOM 185 CD1 ILE A 56 -0.305 53.770 2.682 1.00 34.88 C +ATOM 186 N ILE A 57 -3.771 53.559 6.562 1.00 26.74 N +ATOM 187 CA ILE A 57 -4.348 53.565 7.905 1.00 22.76 C +ATOM 188 C ILE A 57 -3.244 53.360 8.958 1.00 20.94 C +ATOM 189 O ILE A 57 -3.369 53.952 10.057 1.00 23.16 O +ATOM 190 CB ILE A 57 -5.458 52.483 8.098 1.00 25.78 C +ATOM 191 CG1 ILE A 57 -6.601 52.618 7.075 1.00 31.03 C +ATOM 192 CG2 ILE A 57 -5.983 52.430 9.554 1.00 29.41 C +ATOM 193 CD1 ILE A 57 -7.758 51.588 7.310 1.00 33.85 C +ATOM 194 N ALA A 58 -2.498 52.268 8.808 1.00 16.83 N +ATOM 195 CA ALA A 58 -1.550 51.867 9.847 1.00 16.83 C +ATOM 196 C ALA A 58 -0.366 51.145 9.241 1.00 17.85 C +ATOM 197 O ALA A 58 -0.761 50.325 8.396 1.00 18.64 O +ATOM 198 CB ALA A 58 -2.133 51.131 11.022 1.00 11.13 C +ATOM 199 N PRO A 59 0.771 51.165 9.911 1.00 15.63 N +ATOM 200 CA PRO A 59 1.230 52.179 10.845 1.00 15.07 C +ATOM 201 C PRO A 59 1.530 53.555 10.306 1.00 17.14 C +ATOM 202 O PRO A 59 1.362 53.873 9.116 1.00 17.02 O +ATOM 203 CB PRO A 59 2.424 51.518 11.510 1.00 11.66 C +ATOM 204 CG PRO A 59 3.085 50.774 10.383 1.00 6.76 C +ATOM 205 CD PRO A 59 1.992 50.548 9.373 1.00 12.66 C +ATOM 206 N GLU A 60 1.946 54.447 11.221 1.00 18.84 N +ATOM 207 CA GLU A 60 2.411 55.763 10.776 1.00 23.60 C +ATOM 208 C GLU A 60 3.671 55.646 9.901 1.00 23.87 C +ATOM 209 O GLU A 60 3.835 56.368 8.914 1.00 24.53 O +ATOM 210 CB GLU A 60 2.799 56.788 11.847 1.00 27.59 C +ATOM 211 CG GLU A 60 3.843 57.779 11.281 1.00 42.97 C +ATOM 212 CD GLU A 60 4.568 58.665 12.240 1.00 50.51 C +ATOM 213 OE1 GLU A 60 5.612 58.381 12.807 1.00 46.04 O +ATOM 214 OE2 GLU A 60 4.055 59.815 12.276 1.00 56.62 O +ATOM 215 N GLY A 61 4.671 55.031 10.494 1.00 25.91 N +ATOM 216 CA GLY A 61 5.981 54.777 9.880 1.00 25.34 C +ATOM 217 C GLY A 61 6.547 53.482 10.456 1.00 22.80 C +ATOM 218 O GLY A 61 5.804 52.754 11.129 1.00 24.34 O +ATOM 219 N TYR A 62 7.844 53.289 10.301 1.00 21.49 N +ATOM 220 CA TYR A 62 8.459 52.046 10.811 1.00 22.30 C +ATOM 221 C TYR A 62 9.957 52.184 11.016 1.00 24.56 C +ATOM 222 O TYR A 62 10.554 53.246 10.785 1.00 27.57 O +ATOM 223 CB TYR A 62 8.099 50.910 9.843 1.00 17.44 C +ATOM 224 CG TYR A 62 8.703 51.092 8.476 1.00 13.50 C +ATOM 225 CD1 TYR A 62 8.063 51.815 7.464 1.00 18.34 C +ATOM 226 CD2 TYR A 62 9.860 50.394 8.141 1.00 17.45 C +ATOM 227 CE1 TYR A 62 8.648 51.970 6.199 1.00 19.00 C +ATOM 228 CE2 TYR A 62 10.401 50.444 6.858 1.00 18.28 C +ATOM 229 CZ TYR A 62 9.822 51.278 5.916 1.00 21.06 C +ATOM 230 OH TYR A 62 10.481 51.409 4.724 1.00 35.18 O +ATOM 231 N ALA A 63 10.531 51.147 11.612 1.00 22.11 N +ATOM 232 CA ALA A 63 11.993 51.037 11.789 1.00 15.49 C +ATOM 233 C ALA A 63 12.578 50.361 10.550 1.00 14.86 C +ATOM 234 O ALA A 63 12.276 49.179 10.302 1.00 18.60 O +ATOM 235 CB ALA A 63 12.276 50.215 13.040 1.00 4.66 C +ATOM 236 N ALA A 64 13.279 51.128 9.740 1.00 13.27 N +ATOM 237 CA ALA A 64 13.832 50.593 8.483 1.00 14.75 C +ATOM 238 C ALA A 64 15.285 50.148 8.721 1.00 16.07 C +ATOM 239 O ALA A 64 15.872 49.383 7.948 1.00 16.59 O +ATOM 240 CB ALA A 64 13.804 51.697 7.432 1.00 15.71 C +ATOM 241 N TYR A 65 15.913 50.916 9.589 1.00 15.98 N +ATOM 242 CA TYR A 65 17.353 50.743 9.888 1.00 10.29 C +ATOM 243 C TYR A 65 18.147 51.030 8.626 1.00 8.17 C +ATOM 244 O TYR A 65 17.607 51.208 7.516 1.00 3.29 O +ATOM 245 CB TYR A 65 17.498 49.290 10.383 1.00 12.79 C +ATOM 246 CG TYR A 65 16.854 49.070 11.737 1.00 18.08 C +ATOM 247 CD1 TYR A 65 17.359 49.697 12.876 1.00 17.38 C +ATOM 248 CD2 TYR A 65 15.730 48.268 11.870 1.00 18.80 C +ATOM 249 CE1 TYR A 65 16.708 49.597 14.105 1.00 19.85 C +ATOM 250 CE2 TYR A 65 15.067 48.144 13.086 1.00 19.58 C +ATOM 251 CZ TYR A 65 15.555 48.814 14.199 1.00 25.66 C +ATOM 252 OH TYR A 65 14.903 48.640 15.394 1.00 33.34 O +ATOM 253 N TYR A 66 19.452 51.037 8.776 1.00 12.75 N +ATOM 254 CA TYR A 66 20.352 51.149 7.604 1.00 16.55 C +ATOM 255 C TYR A 66 21.738 50.655 8.002 1.00 15.74 C +ATOM 256 O TYR A 66 22.046 50.639 9.212 1.00 14.92 O +ATOM 257 CB TYR A 66 20.347 52.561 7.032 1.00 18.70 C +ATOM 258 CG TYR A 66 21.096 53.604 7.830 1.00 19.12 C +ATOM 259 CD1 TYR A 66 20.534 54.169 8.972 1.00 28.39 C +ATOM 260 CD2 TYR A 66 22.283 54.155 7.360 1.00 18.55 C +ATOM 261 CE1 TYR A 66 21.185 55.166 9.691 1.00 31.86 C +ATOM 262 CE2 TYR A 66 22.992 55.091 8.101 1.00 19.99 C +ATOM 263 CZ TYR A 66 22.474 55.534 9.309 1.00 25.15 C +ATOM 264 OH TYR A 66 23.150 56.494 9.998 1.00 32.60 O +ATOM 265 N CYS A 67 22.427 50.090 7.032 1.00 14.81 N +ATOM 266 CA CYS A 67 23.822 49.622 7.233 1.00 14.92 C +ATOM 267 C CYS A 67 24.780 50.788 6.924 1.00 16.79 C +ATOM 268 O CYS A 67 24.836 51.300 5.790 1.00 11.23 O +ATOM 269 CB CYS A 67 24.122 48.487 6.228 1.00 13.56 C +ATOM 270 SG CYS A 67 23.178 46.988 6.672 1.00 9.72 S +ATOM 271 N GLU A 68 25.667 50.999 7.891 1.00 19.09 N +ATOM 272 CA GLU A 68 26.813 51.882 7.645 1.00 21.02 C +ATOM 273 C GLU A 68 28.007 51.473 8.494 1.00 25.23 C +ATOM 274 O GLU A 68 27.869 51.094 9.670 1.00 29.10 O +ATOM 275 CB GLU A 68 26.495 53.336 7.957 1.00 16.59 C +ATOM 276 CG GLU A 68 27.325 54.371 7.198 1.00 20.23 C +ATOM 277 CD GLU A 68 27.264 55.759 7.762 1.00 25.85 C +ATOM 278 OE1 GLU A 68 26.880 55.997 8.897 1.00 29.52 O +ATOM 279 OE2 GLU A 68 27.515 56.622 6.889 1.00 27.39 O +ATOM 280 N GLY A 69 29.167 51.803 7.948 1.00 24.50 N +ATOM 281 CA GLY A 69 30.435 51.567 8.670 1.00 24.88 C +ATOM 282 C GLY A 69 31.475 51.120 7.644 1.00 25.89 C +ATOM 283 O GLY A 69 31.169 50.987 6.443 1.00 25.63 O +ATOM 284 N GLU A 70 32.644 50.815 8.186 1.00 27.14 N +ATOM 285 CA GLU A 70 33.775 50.451 7.327 1.00 27.47 C +ATOM 286 C GLU A 70 33.997 48.936 7.371 1.00 24.65 C +ATOM 287 O GLU A 70 33.990 48.396 8.478 1.00 24.81 O +ATOM 288 CB GLU A 70 35.082 51.091 7.782 1.00 32.62 C +ATOM 289 CG GLU A 70 35.989 51.568 6.646 1.00 41.92 C +ATOM 290 CD GLU A 70 37.210 52.327 7.083 1.00 52.94 C +ATOM 291 OE1 GLU A 70 37.679 52.273 8.211 1.00 49.85 O +ATOM 292 OE2 GLU A 70 37.659 52.992 6.123 1.00 57.98 O +ATOM 293 N CYS A 71 34.464 48.455 6.232 1.00 23.53 N +ATOM 294 CA CYS A 71 34.905 47.084 6.015 1.00 21.71 C +ATOM 295 C CYS A 71 36.401 46.957 5.728 1.00 20.57 C +ATOM 296 O CYS A 71 36.832 46.968 4.568 1.00 20.06 O +ATOM 297 CB CYS A 71 34.131 46.465 4.850 1.00 17.98 C +ATOM 298 SG CYS A 71 32.421 46.249 5.278 1.00 14.43 S +ATOM 299 N ALA A 72 37.103 46.728 6.814 1.00 18.15 N +ATOM 300 CA ALA A 72 38.573 46.650 6.789 1.00 20.49 C +ATOM 301 C ALA A 72 39.002 45.807 7.982 1.00 21.77 C +ATOM 302 O ALA A 72 38.177 45.492 8.861 1.00 21.86 O +ATOM 303 CB ALA A 72 39.123 48.067 6.844 1.00 26.83 C +ATOM 304 N PHE A 73 40.222 45.304 7.883 1.00 22.70 N +ATOM 305 CA PHE A 73 40.706 44.401 8.970 1.00 20.49 C +ATOM 306 C PHE A 73 40.834 45.226 10.233 1.00 18.01 C +ATOM 307 O PHE A 73 40.990 46.436 9.953 1.00 19.57 O +ATOM 308 CB PHE A 73 41.967 43.668 8.548 1.00 16.10 C +ATOM 309 CG PHE A 73 41.981 43.022 7.191 1.00 4.29 C +ATOM 310 CD1 PHE A 73 41.357 41.798 7.002 1.00 5.30 C +ATOM 311 CD2 PHE A 73 42.863 43.464 6.213 1.00 3.42 C +ATOM 312 CE1 PHE A 73 41.455 41.111 5.802 1.00 7.03 C +ATOM 313 CE2 PHE A 73 42.903 42.864 4.955 1.00 9.04 C +ATOM 314 CZ PHE A 73 42.200 41.666 4.753 1.00 13.43 C +ATOM 315 N PRO A 74 40.308 44.821 11.359 1.00 17.10 N +ATOM 316 CA PRO A 74 39.943 43.445 11.690 1.00 19.52 C +ATOM 317 C PRO A 74 38.551 43.260 11.054 1.00 22.54 C +ATOM 318 O PRO A 74 37.760 44.203 11.201 1.00 26.38 O +ATOM 319 CB PRO A 74 39.780 43.361 13.200 1.00 18.52 C +ATOM 320 CG PRO A 74 40.477 44.583 13.720 1.00 22.65 C +ATOM 321 CD PRO A 74 40.371 45.593 12.601 1.00 20.16 C +ATOM 322 N LEU A 75 38.458 42.258 10.209 1.00 23.43 N +ATOM 323 CA LEU A 75 37.138 41.780 9.760 1.00 22.95 C +ATOM 324 C LEU A 75 36.660 40.754 10.790 1.00 28.20 C +ATOM 325 O LEU A 75 36.689 39.537 10.534 1.00 28.97 O +ATOM 326 CB LEU A 75 37.295 41.235 8.342 1.00 16.15 C +ATOM 327 CG LEU A 75 36.540 41.949 7.232 1.00 15.93 C +ATOM 328 CD1 LEU A 75 36.619 43.458 7.477 1.00 23.06 C +ATOM 329 CD2 LEU A 75 37.176 41.631 5.884 1.00 18.61 C +ATOM 330 N ASN A 76 36.226 41.266 11.937 1.00 34.35 N +ATOM 331 CA ASN A 76 35.572 40.417 12.948 1.00 42.69 C +ATOM 332 C ASN A 76 34.380 39.677 12.331 1.00 45.64 C +ATOM 333 O ASN A 76 33.701 40.139 11.401 1.00 45.79 O +ATOM 334 CB ASN A 76 35.230 41.144 14.238 1.00 50.30 C +ATOM 335 CG ASN A 76 36.035 42.416 14.442 1.00 53.73 C +ATOM 336 OD1 ASN A 76 36.641 42.639 15.498 1.00 56.15 O +ATOM 337 ND2 ASN A 76 36.132 43.183 13.355 1.00 58.64 N +ATOM 338 N SER A 77 34.079 38.571 12.987 1.00 47.34 N +ATOM 339 CA SER A 77 33.066 37.603 12.551 1.00 46.12 C +ATOM 340 C SER A 77 31.663 38.180 12.692 1.00 47.28 C +ATOM 341 O SER A 77 30.775 37.873 11.870 1.00 48.67 O +ATOM 342 CB SER A 77 33.216 36.331 13.381 1.00 42.24 C +ATOM 343 OG SER A 77 33.423 36.689 14.741 1.00 40.42 O +ATOM 344 N TYR A 78 31.427 38.868 13.805 1.00 47.65 N +ATOM 345 CA TYR A 78 30.106 39.486 13.995 1.00 48.66 C +ATOM 346 C TYR A 78 30.041 40.813 13.244 1.00 43.10 C +ATOM 347 O TYR A 78 29.755 41.850 13.854 1.00 44.03 O +ATOM 348 CB TYR A 78 29.537 39.490 15.401 1.00 59.16 C +ATOM 349 CG TYR A 78 28.830 38.196 15.776 1.00 74.20 C +ATOM 350 CD1 TYR A 78 28.814 37.121 14.876 1.00 78.90 C +ATOM 351 CD2 TYR A 78 28.285 37.997 17.043 1.00 78.19 C +ATOM 352 CE1 TYR A 78 28.238 35.901 15.217 1.00 84.16 C +ATOM 353 CE2 TYR A 78 27.711 36.779 17.404 1.00 83.28 C +ATOM 354 CZ TYR A 78 27.694 35.731 16.492 1.00 85.83 C +ATOM 355 OH TYR A 78 27.188 34.520 16.886 1.00 85.89 O +ATOM 356 N MET A 79 30.486 40.708 12.013 1.00 34.25 N +ATOM 357 CA MET A 79 30.744 41.775 11.039 1.00 25.08 C +ATOM 358 C MET A 79 30.596 41.089 9.667 1.00 20.10 C +ATOM 359 O MET A 79 30.676 41.708 8.610 1.00 17.49 O +ATOM 360 CB MET A 79 32.131 42.379 11.199 1.00 22.53 C +ATOM 361 CG MET A 79 32.515 43.272 10.060 1.00 26.34 C +ATOM 362 SD MET A 79 33.916 44.345 10.616 1.00 29.00 S +ATOM 363 CE MET A 79 33.314 44.772 12.245 1.00 20.67 C +ATOM 364 N ASN A 80 30.173 39.849 9.787 1.00 20.72 N +ATOM 365 CA ASN A 80 29.798 38.962 8.694 1.00 23.89 C +ATOM 366 C ASN A 80 30.447 39.381 7.387 1.00 23.03 C +ATOM 367 O ASN A 80 29.828 40.097 6.588 1.00 24.58 O +ATOM 368 CB ASN A 80 28.297 38.697 8.607 1.00 33.08 C +ATOM 369 CG ASN A 80 27.852 38.024 7.316 1.00 46.30 C +ATOM 370 OD1 ASN A 80 28.039 38.536 6.195 1.00 44.92 O +ATOM 371 ND2 ASN A 80 27.199 36.857 7.438 1.00 49.29 N +ATOM 372 N ALA A 81 31.561 38.755 7.070 1.00 24.70 N +ATOM 373 CA ALA A 81 32.258 39.058 5.791 1.00 22.74 C +ATOM 374 C ALA A 81 32.232 37.765 4.981 1.00 21.78 C +ATOM 375 O ALA A 81 32.329 36.706 5.627 1.00 25.59 O +ATOM 376 CB ALA A 81 33.678 39.512 6.110 1.00 19.18 C +ATOM 377 N THR A 82 32.026 37.853 3.681 1.00 17.43 N +ATOM 378 CA THR A 82 32.181 36.644 2.855 1.00 16.73 C +ATOM 379 C THR A 82 33.661 36.462 2.521 1.00 21.40 C +ATOM 380 O THR A 82 34.455 37.387 2.758 1.00 25.92 O +ATOM 381 CB THR A 82 31.326 36.728 1.542 1.00 13.88 C +ATOM 382 OG1 THR A 82 31.727 37.948 0.868 1.00 7.95 O +ATOM 383 CG2 THR A 82 29.829 36.572 1.760 1.00 14.83 C +ATOM 384 N ASN A 83 33.956 35.395 1.802 1.00 21.15 N +ATOM 385 CA ASN A 83 35.336 35.066 1.429 1.00 18.89 C +ATOM 386 C ASN A 83 35.852 36.155 0.489 1.00 18.03 C +ATOM 387 O ASN A 83 36.951 36.684 0.634 1.00 21.40 O +ATOM 388 CB ASN A 83 35.443 33.685 0.781 1.00 23.25 C +ATOM 389 CG ASN A 83 35.444 32.573 1.824 1.00 23.91 C +ATOM 390 OD1 ASN A 83 35.625 32.869 3.013 1.00 24.72 O +ATOM 391 ND2 ASN A 83 35.033 31.394 1.380 1.00 24.06 N +ATOM 392 N HIS A 84 35.029 36.389 -0.507 1.00 16.50 N +ATOM 393 CA HIS A 84 35.324 37.446 -1.498 1.00 14.83 C +ATOM 394 C HIS A 84 35.675 38.744 -0.786 1.00 17.13 C +ATOM 395 O HIS A 84 36.728 39.357 -1.060 1.00 17.90 O +ATOM 396 CB HIS A 84 34.246 37.587 -2.566 1.00 6.40 C +ATOM 397 CG HIS A 84 34.611 38.540 -3.648 1.00 5.38 C +ATOM 398 ND1 HIS A 84 34.666 39.905 -3.494 1.00 4.32 N +ATOM 399 CD2 HIS A 84 34.855 38.283 -4.963 1.00 6.90 C +ATOM 400 CE1 HIS A 84 35.023 40.431 -4.659 1.00 9.58 C +ATOM 401 NE2 HIS A 84 35.129 39.484 -5.580 1.00 3.11 N +ATOM 402 N ALA A 85 34.988 39.004 0.321 1.00 16.69 N +ATOM 403 CA ALA A 85 35.184 40.209 1.116 1.00 16.97 C +ATOM 404 C ALA A 85 36.610 40.263 1.661 1.00 19.18 C +ATOM 405 O ALA A 85 37.069 41.382 1.984 1.00 25.32 O +ATOM 406 CB ALA A 85 34.181 40.340 2.253 1.00 17.56 C +ATOM 407 N ILE A 86 37.095 39.118 2.133 1.00 15.53 N +ATOM 408 CA ILE A 86 38.459 39.064 2.657 1.00 12.35 C +ATOM 409 C ILE A 86 39.491 39.287 1.546 1.00 12.15 C +ATOM 410 O ILE A 86 40.396 40.125 1.697 1.00 16.77 O +ATOM 411 CB ILE A 86 38.767 37.771 3.454 1.00 10.33 C +ATOM 412 CG1 ILE A 86 37.904 37.707 4.722 1.00 15.37 C +ATOM 413 CG2 ILE A 86 40.288 37.646 3.731 1.00 9.97 C +ATOM 414 CD1 ILE A 86 37.780 36.294 5.336 1.00 11.80 C +ATOM 415 N VAL A 87 39.431 38.461 0.525 1.00 6.77 N +ATOM 416 CA VAL A 87 40.319 38.617 -0.627 1.00 3.86 C +ATOM 417 C VAL A 87 40.349 40.104 -0.993 1.00 9.66 C +ATOM 418 O VAL A 87 41.385 40.772 -0.864 1.00 13.54 O +ATOM 419 CB VAL A 87 39.838 37.762 -1.810 1.00 4.10 C +ATOM 420 CG1 VAL A 87 40.203 38.456 -3.108 1.00 6.84 C +ATOM 421 CG2 VAL A 87 40.296 36.332 -1.764 1.00 5.45 C +ATOM 422 N GLN A 88 39.174 40.639 -1.269 1.00 14.11 N +ATOM 423 CA GLN A 88 39.032 42.026 -1.746 1.00 12.42 C +ATOM 424 C GLN A 88 39.510 43.011 -0.696 1.00 9.84 C +ATOM 425 O GLN A 88 40.340 43.893 -0.968 1.00 11.94 O +ATOM 426 CB GLN A 88 37.705 42.390 -2.356 1.00 15.51 C +ATOM 427 CG GLN A 88 37.203 43.775 -2.008 1.00 19.62 C +ATOM 428 CD GLN A 88 36.137 44.275 -2.957 1.00 13.59 C +ATOM 429 OE1 GLN A 88 35.650 43.529 -3.785 1.00 25.40 O +ATOM 430 NE2 GLN A 88 35.676 45.490 -2.711 1.00 14.45 N +ATOM 431 N THR A 89 39.143 42.734 0.557 1.00 5.58 N +ATOM 432 CA THR A 89 39.706 43.621 1.591 1.00 6.26 C +ATOM 433 C THR A 89 41.229 43.535 1.509 1.00 13.45 C +ATOM 434 O THR A 89 41.880 44.454 2.029 1.00 20.72 O +ATOM 435 CB THR A 89 39.199 43.359 3.049 1.00 2.92 C +ATOM 436 OG1 THR A 89 37.820 43.812 3.061 1.00 8.18 O +ATOM 437 CG2 THR A 89 40.018 44.137 4.098 1.00 5.18 C +ATOM 438 N LEU A 90 41.764 42.414 1.062 1.00 14.43 N +ATOM 439 CA LEU A 90 43.218 42.158 1.179 1.00 13.47 C +ATOM 440 C LEU A 90 43.923 42.759 -0.036 1.00 13.64 C +ATOM 441 O LEU A 90 44.705 43.705 0.119 1.00 16.98 O +ATOM 442 CB LEU A 90 43.487 40.649 1.263 1.00 14.62 C +ATOM 443 CG LEU A 90 44.977 40.288 1.200 1.00 13.82 C +ATOM 444 CD1 LEU A 90 45.588 40.558 2.565 1.00 10.92 C +ATOM 445 CD2 LEU A 90 45.097 38.805 0.831 1.00 13.12 C +ATOM 446 N VAL A 91 43.494 42.289 -1.203 1.00 8.77 N +ATOM 447 CA VAL A 91 44.007 42.885 -2.453 1.00 7.03 C +ATOM 448 C VAL A 91 44.101 44.403 -2.286 1.00 10.22 C +ATOM 449 O VAL A 91 44.849 45.064 -3.004 1.00 13.43 O +ATOM 450 CB VAL A 91 43.081 42.571 -3.635 1.00 6.87 C +ATOM 451 CG1 VAL A 91 43.555 43.343 -4.871 1.00 8.19 C +ATOM 452 CG2 VAL A 91 43.065 41.085 -3.932 1.00 11.46 C +ATOM 453 N HIS A 92 43.037 44.936 -1.730 1.00 17.38 N +ATOM 454 CA HIS A 92 42.911 46.396 -1.528 1.00 19.48 C +ATOM 455 C HIS A 92 44.216 46.872 -0.861 1.00 17.38 C +ATOM 456 O HIS A 92 44.899 47.758 -1.388 1.00 16.65 O +ATOM 457 CB HIS A 92 41.752 46.748 -0.555 1.00 18.40 C +ATOM 458 CG HIS A 92 41.695 48.228 -0.301 1.00 18.94 C +ATOM 459 ND1 HIS A 92 41.624 49.178 -1.296 1.00 17.14 N +ATOM 460 CD2 HIS A 92 41.768 48.905 0.872 1.00 15.47 C +ATOM 461 CE1 HIS A 92 41.599 50.369 -0.730 1.00 20.21 C +ATOM 462 NE2 HIS A 92 41.632 50.225 0.576 1.00 14.02 N +ATOM 463 N PHE A 93 44.399 46.317 0.315 1.00 17.27 N +ATOM 464 CA PHE A 93 45.536 46.620 1.188 1.00 23.20 C +ATOM 465 C PHE A 93 46.865 46.514 0.451 1.00 29.50 C +ATOM 466 O PHE A 93 47.814 47.252 0.771 1.00 36.43 O +ATOM 467 CB PHE A 93 45.533 45.803 2.479 1.00 21.34 C +ATOM 468 CG PHE A 93 46.892 45.421 2.966 1.00 25.35 C +ATOM 469 CD1 PHE A 93 47.652 44.502 2.234 1.00 35.37 C +ATOM 470 CD2 PHE A 93 47.484 46.107 4.030 1.00 25.97 C +ATOM 471 CE1 PHE A 93 48.930 44.140 2.657 1.00 37.75 C +ATOM 472 CE2 PHE A 93 48.782 45.785 4.436 1.00 32.15 C +ATOM 473 CZ PHE A 93 49.535 44.844 3.707 1.00 31.97 C +ATOM 474 N ILE A 94 46.978 45.581 -0.468 1.00 27.28 N +ATOM 475 CA ILE A 94 48.181 45.447 -1.299 1.00 24.47 C +ATOM 476 C ILE A 94 48.241 46.611 -2.295 1.00 25.92 C +ATOM 477 O ILE A 94 49.309 46.962 -2.822 1.00 27.85 O +ATOM 478 CB ILE A 94 48.156 44.083 -2.051 1.00 21.82 C +ATOM 479 CG1 ILE A 94 48.718 42.923 -1.201 1.00 20.63 C +ATOM 480 CG2 ILE A 94 48.782 44.124 -3.461 1.00 20.80 C +ATOM 481 CD1 ILE A 94 48.410 41.553 -1.901 1.00 25.25 C +ATOM 482 N ASN A 95 47.071 47.020 -2.740 1.00 27.83 N +ATOM 483 CA ASN A 95 46.969 47.855 -3.957 1.00 28.49 C +ATOM 484 C ASN A 95 45.647 48.621 -3.943 1.00 26.51 C +ATOM 485 O ASN A 95 44.763 48.340 -4.758 1.00 25.51 O +ATOM 486 CB ASN A 95 47.109 46.915 -5.159 1.00 35.14 C +ATOM 487 CG ASN A 95 48.076 47.503 -6.178 1.00 52.59 C +ATOM 488 OD1 ASN A 95 48.209 48.739 -6.211 1.00 60.24 O +ATOM 489 ND2 ASN A 95 48.720 46.632 -6.951 1.00 58.52 N +ATOM 490 N PRO A 96 45.660 49.681 -3.155 1.00 25.34 N +ATOM 491 CA PRO A 96 44.465 50.524 -2.973 1.00 29.72 C +ATOM 492 C PRO A 96 43.913 50.893 -4.341 1.00 36.22 C +ATOM 493 O PRO A 96 42.773 50.541 -4.684 1.00 39.83 O +ATOM 494 CB PRO A 96 45.017 51.751 -2.240 1.00 26.62 C +ATOM 495 CG PRO A 96 46.117 51.144 -1.388 1.00 26.28 C +ATOM 496 CD PRO A 96 46.790 50.167 -2.353 1.00 21.01 C +ATOM 497 N GLU A 97 44.785 51.509 -5.118 1.00 40.58 N +ATOM 498 CA GLU A 97 44.405 51.916 -6.484 1.00 45.53 C +ATOM 499 C GLU A 97 43.628 50.784 -7.146 1.00 42.42 C +ATOM 500 O GLU A 97 42.583 50.980 -7.788 1.00 43.58 O +ATOM 501 CB GLU A 97 45.641 52.241 -7.312 1.00 59.65 C +ATOM 502 CG GLU A 97 46.821 52.960 -6.679 1.00 74.54 C +ATOM 503 CD GLU A 97 46.579 54.267 -5.985 1.00 84.84 C +ATOM 504 OE1 GLU A 97 45.917 55.192 -6.434 1.00 88.22 O +ATOM 505 OE2 GLU A 97 47.208 54.354 -4.900 1.00 86.77 O +ATOM 506 N THR A 98 44.038 49.563 -6.857 1.00 39.76 N +ATOM 507 CA THR A 98 43.512 48.373 -7.538 1.00 38.55 C +ATOM 508 C THR A 98 42.018 48.147 -7.297 1.00 32.94 C +ATOM 509 O THR A 98 41.302 47.616 -8.185 1.00 31.74 O +ATOM 510 CB THR A 98 44.337 47.088 -7.097 1.00 41.66 C +ATOM 511 OG1 THR A 98 45.712 47.336 -7.508 1.00 41.52 O +ATOM 512 CG2 THR A 98 43.768 45.784 -7.654 1.00 46.80 C +ATOM 513 N VAL A 99 41.620 48.370 -6.048 1.00 21.60 N +ATOM 514 CA VAL A 99 40.292 47.944 -5.602 1.00 16.34 C +ATOM 515 C VAL A 99 39.982 48.583 -4.240 1.00 18.22 C +ATOM 516 O VAL A 99 40.838 48.601 -3.332 1.00 16.12 O +ATOM 517 CB VAL A 99 40.279 46.406 -5.548 1.00 17.39 C +ATOM 518 CG1 VAL A 99 40.137 45.856 -4.133 1.00 18.05 C +ATOM 519 CG2 VAL A 99 39.260 45.781 -6.475 1.00 22.92 C +ATOM 520 N PRO A 100 38.673 48.810 -4.077 1.00 17.14 N +ATOM 521 CA PRO A 100 38.123 49.424 -2.868 1.00 13.11 C +ATOM 522 C PRO A 100 37.884 48.385 -1.789 1.00 14.01 C +ATOM 523 O PRO A 100 37.735 47.198 -2.111 1.00 21.64 O +ATOM 524 CB PRO A 100 36.804 50.022 -3.329 1.00 14.48 C +ATOM 525 CG PRO A 100 36.486 49.441 -4.671 1.00 14.99 C +ATOM 526 CD PRO A 100 37.676 48.675 -5.152 1.00 15.32 C +ATOM 527 N LYS A 101 37.707 48.806 -0.551 1.00 12.90 N +ATOM 528 CA LYS A 101 37.192 47.863 0.465 1.00 12.42 C +ATOM 529 C LYS A 101 35.796 47.432 0.032 1.00 15.43 C +ATOM 530 O LYS A 101 35.125 48.105 -0.762 1.00 19.37 O +ATOM 531 CB LYS A 101 37.118 48.554 1.814 1.00 15.12 C +ATOM 532 CG LYS A 101 38.159 49.658 2.016 1.00 22.34 C +ATOM 533 CD LYS A 101 38.914 49.441 3.321 1.00 33.28 C +ATOM 534 CE LYS A 101 39.160 50.763 4.027 1.00 42.76 C +ATOM 535 NZ LYS A 101 39.152 50.586 5.504 1.00 44.49 N +ATOM 536 N PRO A 102 35.346 46.287 0.530 1.00 16.38 N +ATOM 537 CA PRO A 102 33.919 45.921 0.338 1.00 16.56 C +ATOM 538 C PRO A 102 33.052 46.995 0.991 1.00 17.65 C +ATOM 539 O PRO A 102 33.432 47.426 2.102 1.00 21.43 O +ATOM 540 CB PRO A 102 33.798 44.579 1.025 1.00 10.49 C +ATOM 541 CG PRO A 102 35.065 44.295 1.752 1.00 8.18 C +ATOM 542 CD PRO A 102 35.929 45.535 1.660 1.00 16.55 C +ATOM 543 N CYS A 103 31.811 47.123 0.546 1.00 17.51 N +ATOM 544 CA CYS A 103 30.818 47.991 1.167 1.00 16.82 C +ATOM 545 C CYS A 103 29.997 47.313 2.233 1.00 12.98 C +ATOM 546 O CYS A 103 29.528 46.197 2.009 1.00 14.05 O +ATOM 547 CB CYS A 103 30.041 48.908 0.284 1.00 25.06 C +ATOM 548 SG CYS A 103 28.672 48.283 -0.688 1.00 38.61 S +ATOM 549 N CYS A 104 29.695 48.023 3.289 1.00 13.35 N +ATOM 550 CA CYS A 104 28.776 47.579 4.364 1.00 15.26 C +ATOM 551 C CYS A 104 27.317 47.619 3.931 1.00 17.77 C +ATOM 552 O CYS A 104 26.710 48.691 3.832 1.00 20.74 O +ATOM 553 CB CYS A 104 29.057 48.452 5.563 1.00 13.99 C +ATOM 554 SG CYS A 104 28.079 48.154 7.027 1.00 27.20 S +ATOM 555 N ALA A 105 26.753 46.495 3.543 1.00 18.95 N +ATOM 556 CA ALA A 105 25.393 46.331 3.057 1.00 18.57 C +ATOM 557 C ALA A 105 24.600 45.383 3.942 1.00 21.50 C +ATOM 558 O ALA A 105 25.190 44.660 4.766 1.00 25.36 O +ATOM 559 CB ALA A 105 25.354 45.873 1.611 1.00 18.71 C +ATOM 560 N PRO A 106 23.282 45.476 3.815 1.00 22.88 N +ATOM 561 CA PRO A 106 22.371 44.645 4.642 1.00 22.22 C +ATOM 562 C PRO A 106 22.383 43.216 4.103 1.00 18.68 C +ATOM 563 O PRO A 106 22.481 43.008 2.879 1.00 16.24 O +ATOM 564 CB PRO A 106 21.023 45.338 4.471 1.00 24.91 C +ATOM 565 CG PRO A 106 21.090 45.955 3.102 1.00 25.85 C +ATOM 566 CD PRO A 106 22.538 46.371 2.924 1.00 23.45 C +ATOM 567 N THR A 107 22.450 42.288 5.028 1.00 18.27 N +ATOM 568 CA THR A 107 22.635 40.862 4.722 1.00 22.61 C +ATOM 569 C THR A 107 21.293 40.130 4.822 1.00 30.96 C +ATOM 570 O THR A 107 20.986 39.247 3.984 1.00 36.96 O +ATOM 571 CB THR A 107 23.714 40.218 5.688 1.00 15.40 C +ATOM 572 OG1 THR A 107 23.160 40.406 7.040 1.00 21.73 O +ATOM 573 CG2 THR A 107 25.076 40.943 5.617 1.00 20.66 C +ATOM 574 N GLN A 108 20.433 40.624 5.699 1.00 31.16 N +ATOM 575 CA GLN A 108 19.060 40.144 5.832 1.00 29.57 C +ATOM 576 C GLN A 108 18.027 41.256 5.960 1.00 26.98 C +ATOM 577 O GLN A 108 18.083 42.123 6.848 1.00 24.57 O +ATOM 578 CB GLN A 108 18.925 39.077 6.902 1.00 35.77 C +ATOM 579 CG GLN A 108 19.519 39.484 8.241 1.00 50.12 C +ATOM 580 CD GLN A 108 19.379 38.362 9.253 1.00 63.57 C +ATOM 581 OE1 GLN A 108 18.290 38.097 9.763 1.00 65.52 O +ATOM 582 NE2 GLN A 108 20.478 37.625 9.404 1.00 66.60 N +ATOM 583 N LEU A 109 16.963 41.074 5.197 1.00 27.07 N +ATOM 584 CA LEU A 109 15.784 41.933 5.145 1.00 26.22 C +ATOM 585 C LEU A 109 14.513 41.205 5.622 1.00 29.91 C +ATOM 586 O LEU A 109 14.085 40.223 4.986 1.00 34.08 O +ATOM 587 CB LEU A 109 15.619 42.370 3.666 1.00 14.99 C +ATOM 588 CG LEU A 109 16.752 43.270 3.185 1.00 9.38 C +ATOM 589 CD1 LEU A 109 16.534 43.599 1.714 1.00 10.27 C +ATOM 590 CD2 LEU A 109 16.700 44.530 4.063 1.00 4.59 C +ATOM 591 N ASN A 110 13.699 42.007 6.282 1.00 30.25 N +ATOM 592 CA ASN A 110 12.371 41.628 6.787 1.00 28.96 C +ATOM 593 C ASN A 110 11.310 42.497 6.098 1.00 26.32 C +ATOM 594 O ASN A 110 11.515 43.699 5.898 1.00 25.33 O +ATOM 595 CB ASN A 110 12.401 41.807 8.309 1.00 35.39 C +ATOM 596 CG ASN A 110 12.078 40.532 9.059 1.00 48.61 C +ATOM 597 OD1 ASN A 110 11.066 40.475 9.782 1.00 57.74 O +ATOM 598 ND2 ASN A 110 12.873 39.489 8.818 1.00 55.47 N +ATOM 599 N ALA A 111 10.212 41.856 5.735 1.00 25.50 N +ATOM 600 CA ALA A 111 9.042 42.522 5.139 1.00 20.70 C +ATOM 601 C ALA A 111 8.241 43.229 6.238 1.00 18.22 C +ATOM 602 O ALA A 111 8.496 43.083 7.444 1.00 15.83 O +ATOM 603 CB ALA A 111 8.148 41.573 4.353 1.00 8.03 C +ATOM 604 N ILE A 112 7.404 44.129 5.744 1.00 19.91 N +ATOM 605 CA ILE A 112 6.428 44.810 6.597 1.00 20.73 C +ATOM 606 C ILE A 112 5.030 44.718 5.983 1.00 18.11 C +ATOM 607 O ILE A 112 4.876 44.358 4.803 1.00 14.36 O +ATOM 608 CB ILE A 112 6.854 46.236 7.024 1.00 24.35 C +ATOM 609 CG1 ILE A 112 6.654 47.278 5.904 1.00 24.16 C +ATOM 610 CG2 ILE A 112 8.211 46.352 7.742 1.00 23.25 C +ATOM 611 CD1 ILE A 112 6.213 48.662 6.469 1.00 24.47 C +ATOM 612 N SER A 113 4.068 44.926 6.865 1.00 19.29 N +ATOM 613 CA SER A 113 2.650 45.003 6.487 1.00 19.90 C +ATOM 614 C SER A 113 2.082 46.356 6.916 1.00 18.93 C +ATOM 615 O SER A 113 2.328 46.850 8.026 1.00 18.00 O +ATOM 616 CB SER A 113 1.849 43.854 7.064 1.00 20.14 C +ATOM 617 OG SER A 113 2.724 42.846 7.578 1.00 30.27 O +ATOM 618 N VAL A 114 1.476 47.008 5.937 1.00 18.05 N +ATOM 619 CA VAL A 114 0.729 48.258 6.205 1.00 17.80 C +ATOM 620 C VAL A 114 -0.727 47.978 5.798 1.00 19.78 C +ATOM 621 O VAL A 114 -0.955 47.322 4.760 1.00 19.56 O +ATOM 622 CB VAL A 114 1.378 49.387 5.366 1.00 14.56 C +ATOM 623 CG1 VAL A 114 2.899 49.250 5.334 1.00 17.17 C +ATOM 624 CG2 VAL A 114 0.844 49.358 3.947 1.00 2.49 C +ATOM 625 N LEU A 115 -1.633 48.538 6.573 1.00 20.16 N +ATOM 626 CA LEU A 115 -3.080 48.504 6.231 1.00 20.66 C +ATOM 627 C LEU A 115 -3.468 49.841 5.600 1.00 23.00 C +ATOM 628 O LEU A 115 -3.305 50.888 6.249 1.00 24.93 O +ATOM 629 CB LEU A 115 -3.808 48.244 7.556 1.00 19.26 C +ATOM 630 CG LEU A 115 -5.322 48.331 7.556 1.00 14.33 C +ATOM 631 CD1 LEU A 115 -5.896 46.998 7.098 1.00 19.38 C +ATOM 632 CD2 LEU A 115 -5.800 48.682 8.964 1.00 9.64 C +ATOM 633 N TYR A 116 -4.036 49.779 4.405 1.00 24.66 N +ATOM 634 CA TYR A 116 -4.425 51.017 3.712 1.00 26.83 C +ATOM 635 C TYR A 116 -5.743 50.899 2.950 1.00 26.07 C +ATOM 636 O TYR A 116 -6.250 49.810 2.664 1.00 21.81 O +ATOM 637 CB TYR A 116 -3.298 51.438 2.739 1.00 29.04 C +ATOM 638 CG TYR A 116 -3.140 50.439 1.613 1.00 34.81 C +ATOM 639 CD1 TYR A 116 -2.688 49.146 1.872 1.00 34.28 C +ATOM 640 CD2 TYR A 116 -3.607 50.729 0.339 1.00 38.17 C +ATOM 641 CE1 TYR A 116 -2.530 48.227 0.836 1.00 40.45 C +ATOM 642 CE2 TYR A 116 -3.572 49.777 -0.677 1.00 45.17 C +ATOM 643 CZ TYR A 116 -3.037 48.520 -0.426 1.00 45.80 C +ATOM 644 OH TYR A 116 -2.883 47.659 -1.482 1.00 44.23 O +ATOM 645 N PHE A 117 -6.213 52.069 2.548 1.00 27.60 N +ATOM 646 CA PHE A 117 -7.414 52.239 1.728 1.00 30.49 C +ATOM 647 C PHE A 117 -6.970 52.200 0.256 1.00 32.71 C +ATOM 648 O PHE A 117 -6.574 53.275 -0.227 1.00 32.67 O +ATOM 649 CB PHE A 117 -8.100 53.586 1.977 1.00 36.04 C +ATOM 650 CG PHE A 117 -8.507 53.898 3.379 1.00 51.40 C +ATOM 651 CD1 PHE A 117 -9.390 53.060 4.062 1.00 57.66 C +ATOM 652 CD2 PHE A 117 -8.077 55.072 3.996 1.00 60.32 C +ATOM 653 CE1 PHE A 117 -9.808 53.355 5.351 1.00 63.37 C +ATOM 654 CE2 PHE A 117 -8.456 55.383 5.305 1.00 65.33 C +ATOM 655 CZ PHE A 117 -9.334 54.511 5.973 1.00 68.45 C +ATOM 656 N ASP A 118 -7.238 51.097 -0.411 1.00 36.91 N +ATOM 657 CA ASP A 118 -7.060 51.106 -1.887 1.00 43.09 C +ATOM 658 C ASP A 118 -8.146 52.047 -2.432 1.00 47.08 C +ATOM 659 O ASP A 118 -8.891 52.643 -1.640 1.00 46.90 O +ATOM 660 CB ASP A 118 -7.124 49.714 -2.484 1.00 47.40 C +ATOM 661 CG ASP A 118 -8.542 49.263 -2.796 1.00 50.88 C +ATOM 662 OD1 ASP A 118 -9.371 49.144 -1.876 1.00 51.77 O +ATOM 663 OD2 ASP A 118 -8.823 49.095 -4.003 1.00 54.87 O +ATOM 664 N ASP A 119 -8.154 52.150 -3.747 1.00 51.43 N +ATOM 665 CA ASP A 119 -9.304 52.802 -4.431 1.00 56.88 C +ATOM 666 C ASP A 119 -10.557 52.081 -3.886 1.00 57.45 C +ATOM 667 O ASP A 119 -10.430 51.104 -3.123 1.00 57.61 O +ATOM 668 CB ASP A 119 -9.139 52.598 -5.938 1.00 66.59 C +ATOM 669 CG ASP A 119 -8.454 53.751 -6.645 1.00 77.82 C +ATOM 670 OD1 ASP A 119 -8.966 54.887 -6.645 1.00 82.42 O +ATOM 671 OD2 ASP A 119 -7.457 53.454 -7.345 1.00 84.74 O +ATOM 672 N SER A 120 -11.704 52.504 -4.397 1.00 54.46 N +ATOM 673 CA SER A 120 -12.948 51.743 -4.130 1.00 48.80 C +ATOM 674 C SER A 120 -13.311 51.878 -2.650 1.00 43.57 C +ATOM 675 O SER A 120 -14.451 51.585 -2.255 1.00 45.34 O +ATOM 676 CB SER A 120 -12.726 50.271 -4.464 1.00 51.25 C +ATOM 677 OG SER A 120 -12.065 50.072 -5.698 1.00 52.23 O +ATOM 678 N SER A 121 -12.304 52.165 -1.853 1.00 38.43 N +ATOM 679 CA SER A 121 -12.442 52.395 -0.416 1.00 35.47 C +ATOM 680 C SER A 121 -12.539 51.078 0.352 1.00 31.96 C +ATOM 681 O SER A 121 -12.985 51.078 1.512 1.00 29.64 O +ATOM 682 CB SER A 121 -13.557 53.340 -0.043 1.00 38.89 C +ATOM 683 OG SER A 121 -14.173 53.915 -1.187 1.00 47.45 O +ATOM 684 N ASN A 122 -11.912 50.072 -0.228 1.00 30.58 N +ATOM 685 CA ASN A 122 -11.626 48.798 0.466 1.00 29.10 C +ATOM 686 C ASN A 122 -10.424 49.054 1.380 1.00 26.09 C +ATOM 687 O ASN A 122 -9.499 49.765 0.959 1.00 28.61 O +ATOM 688 CB ASN A 122 -11.392 47.673 -0.553 1.00 32.40 C +ATOM 689 CG ASN A 122 -12.325 47.773 -1.749 1.00 34.18 C +ATOM 690 OD1 ASN A 122 -13.094 48.742 -1.866 1.00 36.92 O +ATOM 691 ND2 ASN A 122 -12.146 46.923 -2.751 1.00 34.33 N +ATOM 692 N VAL A 123 -10.541 48.661 2.627 1.00 23.84 N +ATOM 693 CA VAL A 123 -9.415 48.681 3.572 1.00 22.89 C +ATOM 694 C VAL A 123 -8.556 47.422 3.350 1.00 23.57 C +ATOM 695 O VAL A 123 -8.958 46.390 3.928 1.00 25.25 O +ATOM 696 CB VAL A 123 -9.964 48.658 5.022 1.00 18.44 C +ATOM 697 CG1 VAL A 123 -8.910 48.029 5.946 1.00 23.87 C +ATOM 698 CG2 VAL A 123 -10.326 50.050 5.502 1.00 17.15 C +ATOM 699 N ILE A 124 -7.319 47.583 2.909 1.00 23.05 N +ATOM 700 CA ILE A 124 -6.451 46.442 2.667 1.00 21.31 C +ATOM 701 C ILE A 124 -5.214 46.234 3.496 1.00 22.16 C +ATOM 702 O ILE A 124 -4.752 47.122 4.248 1.00 23.02 O +ATOM 703 CB ILE A 124 -6.281 46.176 1.150 1.00 16.04 C +ATOM 704 CG1 ILE A 124 -4.861 45.620 0.900 1.00 26.48 C +ATOM 705 CG2 ILE A 124 -6.608 47.402 0.289 1.00 19.84 C +ATOM 706 CD1 ILE A 124 -4.602 45.323 -0.610 1.00 39.18 C +ATOM 707 N LEU A 125 -4.703 44.992 3.447 1.00 22.13 N +ATOM 708 CA LEU A 125 -3.429 44.642 4.121 1.00 21.80 C +ATOM 709 C LEU A 125 -2.394 44.192 3.070 1.00 25.43 C +ATOM 710 O LEU A 125 -2.557 43.079 2.534 1.00 25.55 O +ATOM 711 CB LEU A 125 -3.701 43.486 5.092 1.00 16.75 C +ATOM 712 CG LEU A 125 -2.577 43.108 6.036 1.00 6.46 C +ATOM 713 CD1 LEU A 125 -2.490 44.145 7.167 1.00 8.88 C +ATOM 714 CD2 LEU A 125 -2.967 41.793 6.736 1.00 13.85 C +ATOM 715 N LYS A 126 -1.344 44.993 2.935 1.00 25.70 N +ATOM 716 CA LYS A 126 -0.196 44.667 2.095 1.00 24.38 C +ATOM 717 C LYS A 126 1.045 44.360 2.932 1.00 23.91 C +ATOM 718 O LYS A 126 1.365 45.008 3.936 1.00 20.74 O +ATOM 719 CB LYS A 126 0.167 45.665 1.031 1.00 26.24 C +ATOM 720 CG LYS A 126 -0.948 46.102 0.095 1.00 41.82 C +ATOM 721 CD LYS A 126 -0.445 46.415 -1.308 1.00 49.66 C +ATOM 722 CE LYS A 126 0.998 46.007 -1.524 1.00 59.33 C +ATOM 723 NZ LYS A 126 1.107 44.552 -1.819 1.00 64.83 N +ATOM 724 N LYS A 127 1.769 43.378 2.415 1.00 28.95 N +ATOM 725 CA LYS A 127 3.094 42.990 2.943 1.00 29.58 C +ATOM 726 C LYS A 127 4.125 43.476 1.911 1.00 27.49 C +ATOM 727 O LYS A 127 3.975 43.121 0.738 1.00 25.74 O +ATOM 728 CB LYS A 127 3.245 41.474 3.031 1.00 31.16 C +ATOM 729 CG LYS A 127 4.647 41.009 3.420 1.00 35.17 C +ATOM 730 CD LYS A 127 4.611 40.141 4.672 1.00 42.41 C +ATOM 731 CE LYS A 127 5.282 38.799 4.469 1.00 47.07 C +ATOM 732 NZ LYS A 127 5.180 38.364 3.046 1.00 48.84 N +ATOM 733 N TYR A 128 4.873 44.474 2.313 1.00 27.99 N +ATOM 734 CA TYR A 128 6.023 44.955 1.509 1.00 27.18 C +ATOM 735 C TYR A 128 7.232 44.171 2.054 1.00 26.63 C +ATOM 736 O TYR A 128 7.318 43.972 3.280 1.00 25.16 O +ATOM 737 CB TYR A 128 6.240 46.465 1.804 1.00 28.95 C +ATOM 738 CG TYR A 128 5.132 47.308 1.224 1.00 28.00 C +ATOM 739 CD1 TYR A 128 4.799 47.159 -0.126 1.00 32.56 C +ATOM 740 CD2 TYR A 128 4.297 48.059 2.043 1.00 32.54 C +ATOM 741 CE1 TYR A 128 3.689 47.805 -0.667 1.00 36.25 C +ATOM 742 CE2 TYR A 128 3.248 48.794 1.493 1.00 35.95 C +ATOM 743 CZ TYR A 128 2.895 48.588 0.165 1.00 41.59 C +ATOM 744 OH TYR A 128 1.753 49.177 -0.308 1.00 50.27 O +ATOM 745 N ARG A 129 7.904 43.525 1.130 1.00 28.63 N +ATOM 746 CA ARG A 129 9.033 42.660 1.525 1.00 33.60 C +ATOM 747 C ARG A 129 10.317 43.478 1.375 1.00 30.38 C +ATOM 748 O ARG A 129 10.297 44.535 0.709 1.00 27.72 O +ATOM 749 CB ARG A 129 9.044 41.357 0.740 1.00 46.64 C +ATOM 750 CG ARG A 129 8.615 40.105 1.505 1.00 59.61 C +ATOM 751 CD ARG A 129 9.611 39.667 2.528 1.00 68.44 C +ATOM 752 NE ARG A 129 9.011 39.090 3.724 1.00 75.83 N +ATOM 753 CZ ARG A 129 9.662 38.423 4.681 1.00 78.45 C +ATOM 754 NH1 ARG A 129 10.866 37.882 4.490 1.00 79.45 N +ATOM 755 NH2 ARG A 129 9.111 38.290 5.894 1.00 73.27 N +ATOM 756 N ASN A 130 11.256 43.169 2.260 1.00 27.91 N +ATOM 757 CA ASN A 130 12.623 43.706 2.159 1.00 24.66 C +ATOM 758 C ASN A 130 12.632 45.188 2.529 1.00 24.12 C +ATOM 759 O ASN A 130 13.240 45.965 1.785 1.00 26.26 O +ATOM 760 CB ASN A 130 13.149 43.510 0.730 1.00 23.00 C +ATOM 761 CG ASN A 130 13.562 42.075 0.458 1.00 23.98 C +ATOM 762 OD1 ASN A 130 13.961 41.366 1.393 1.00 26.78 O +ATOM 763 ND2 ASN A 130 13.358 41.625 -0.775 1.00 20.78 N +ATOM 764 N MET A 131 11.923 45.534 3.575 1.00 22.76 N +ATOM 765 CA MET A 131 11.707 46.924 3.975 1.00 20.20 C +ATOM 766 C MET A 131 12.576 47.249 5.181 1.00 23.14 C +ATOM 767 O MET A 131 13.156 48.353 5.214 1.00 30.66 O +ATOM 768 CB MET A 131 10.245 47.245 4.217 1.00 19.18 C +ATOM 769 CG MET A 131 9.393 47.144 2.996 1.00 11.13 C +ATOM 770 SD MET A 131 9.728 48.613 1.954 1.00 18.22 S +ATOM 771 CE MET A 131 8.938 49.872 2.971 1.00 13.08 C +ATOM 772 N VAL A 132 12.600 46.348 6.135 1.00 19.76 N +ATOM 773 CA VAL A 132 13.466 46.469 7.320 1.00 18.83 C +ATOM 774 C VAL A 132 14.816 45.778 7.067 1.00 19.07 C +ATOM 775 O VAL A 132 14.898 44.627 6.607 1.00 19.40 O +ATOM 776 CB VAL A 132 12.762 45.814 8.537 1.00 18.29 C +ATOM 777 CG1 VAL A 132 13.409 46.214 9.856 1.00 14.60 C +ATOM 778 CG2 VAL A 132 11.271 46.073 8.545 1.00 23.30 C +ATOM 779 N VAL A 133 15.844 46.389 7.636 1.00 20.93 N +ATOM 780 CA VAL A 133 17.185 45.761 7.663 1.00 17.59 C +ATOM 781 C VAL A 133 17.258 45.087 9.047 1.00 20.35 C +ATOM 782 O VAL A 133 17.196 45.843 10.022 1.00 20.23 O +ATOM 783 CB VAL A 133 18.309 46.811 7.534 1.00 11.45 C +ATOM 784 CG1 VAL A 133 19.438 46.515 8.506 1.00 9.32 C +ATOM 785 CG2 VAL A 133 18.838 46.925 6.122 1.00 6.03 C +ATOM 786 N ARG A 134 17.660 43.836 9.014 1.00 23.54 N +ATOM 787 CA ARG A 134 17.798 43.015 10.225 1.00 23.02 C +ATOM 788 C ARG A 134 19.256 42.941 10.660 1.00 21.02 C +ATOM 789 O ARG A 134 19.581 42.899 11.853 1.00 17.59 O +ATOM 790 CB ARG A 134 17.261 41.608 9.947 1.00 26.61 C +ATOM 791 CG ARG A 134 16.509 41.001 11.121 1.00 43.62 C +ATOM 792 CD ARG A 134 16.418 41.965 12.269 1.00 50.11 C +ATOM 793 NE ARG A 134 15.031 41.993 12.764 1.00 58.58 N +ATOM 794 CZ ARG A 134 14.081 41.365 12.043 1.00 64.35 C +ATOM 795 NH1 ARG A 134 14.121 41.374 10.706 1.00 58.53 N +ATOM 796 NH2 ARG A 134 13.295 40.485 12.669 1.00 69.85 N +ATOM 797 N ALA A 135 20.109 42.900 9.649 1.00 22.39 N +ATOM 798 CA ALA A 135 21.553 42.747 9.841 1.00 21.32 C +ATOM 799 C ALA A 135 22.337 43.237 8.630 1.00 21.32 C +ATOM 800 O ALA A 135 22.054 42.945 7.464 1.00 18.05 O +ATOM 801 CB ALA A 135 21.935 41.318 10.166 1.00 22.73 C +ATOM 802 N CYS A 136 23.465 43.805 9.015 1.00 22.35 N +ATOM 803 CA CYS A 136 24.447 44.383 8.055 1.00 19.21 C +ATOM 804 C CYS A 136 25.650 43.422 8.005 1.00 18.18 C +ATOM 805 O CYS A 136 25.988 42.846 9.073 1.00 19.10 O +ATOM 806 CB CYS A 136 24.891 45.702 8.740 1.00 21.68 C +ATOM 807 SG CYS A 136 23.554 46.942 8.691 1.00 11.77 S +ATOM 808 N GLY A 137 26.453 43.587 6.956 1.00 12.19 N +ATOM 809 CA GLY A 137 27.826 43.055 7.040 1.00 11.92 C +ATOM 810 C GLY A 137 28.609 43.304 5.779 1.00 15.75 C +ATOM 811 O GLY A 137 28.029 43.576 4.712 1.00 20.73 O +ATOM 812 N CYS A 138 29.877 42.922 5.857 1.00 15.77 N +ATOM 813 CA CYS A 138 30.840 43.213 4.753 1.00 16.87 C +ATOM 814 C CYS A 138 30.751 42.134 3.697 1.00 19.28 C +ATOM 815 O CYS A 138 30.714 40.964 4.091 1.00 22.74 O +ATOM 816 CB CYS A 138 32.217 43.298 5.395 1.00 10.01 C +ATOM 817 SG CYS A 138 32.277 44.708 6.566 1.00 17.78 S +ATOM 818 N HIS A 139 30.408 42.465 2.478 1.00 23.96 N +ATOM 819 CA HIS A 139 30.066 41.451 1.467 1.00 27.70 C +ATOM 820 C HIS A 139 30.729 41.780 0.129 1.00 32.30 C +ATOM 821 O HIS A 139 30.804 42.995 -0.208 1.00 31.27 O +ATOM 822 CB HIS A 139 28.542 41.320 1.238 1.00 33.33 C +ATOM 823 CG HIS A 139 27.884 40.315 2.128 1.00 41.24 C +ATOM 824 ND1 HIS A 139 27.557 39.037 1.739 1.00 44.78 N +ATOM 825 CD2 HIS A 139 27.493 40.420 3.425 1.00 44.19 C +ATOM 826 CE1 HIS A 139 27.036 38.388 2.770 1.00 45.54 C +ATOM 827 NE2 HIS A 139 27.078 39.168 3.821 1.00 45.97 N +ATOM 828 OXT HIS A 139 31.051 40.778 -0.540 1.00 40.60 O Added: SwiftApps/modFTdock/input/indata/1cdz-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1cdz-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1cdz-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,808 @@ +ATOM 1 N GLU A 1 42.636 -0.836 0.536 1.00 74.96 N +ATOM 2 CA GLU A 1 42.874 -0.508 1.978 1.00 74.96 C +ATOM 3 C GLU A 1 44.235 -0.990 2.540 1.00 74.96 C +ATOM 4 O GLU A 1 45.270 -1.017 1.844 1.00102.45 O +ATOM 5 CB GLU A 1 41.682 -1.009 2.850 1.00102.45 C +ATOM 6 CG GLU A 1 41.796 -2.400 3.551 1.00102.45 C +ATOM 7 CD GLU A 1 42.245 -3.523 2.618 1.00102.45 C +ATOM 8 OE1 GLU A 1 41.387 -4.044 1.873 1.00102.45 O +ATOM 9 OE2 GLU A 1 43.449 -3.890 2.622 1.00102.45 O +ATOM 10 N LEU A 2 44.199 -1.349 3.819 1.00 64.85 N +ATOM 11 CA LEU A 2 45.348 -1.813 4.546 1.00 64.85 C +ATOM 12 C LEU A 2 45.560 -3.298 4.540 1.00 64.85 C +ATOM 13 O LEU A 2 44.743 -4.071 5.066 1.00 39.52 O +ATOM 14 CB LEU A 2 45.285 -1.340 5.995 1.00 39.52 C +ATOM 15 CG LEU A 2 45.391 0.167 6.169 1.00 39.52 C +ATOM 16 CD1 LEU A 2 45.713 0.445 7.604 1.00 39.52 C +ATOM 17 CD2 LEU A 2 46.473 0.728 5.249 1.00 39.52 C +ATOM 18 N PRO A 3 46.693 -3.712 3.970 1.00 50.83 N +ATOM 19 CA PRO A 3 47.117 -5.103 3.863 1.00 50.83 C +ATOM 20 C PRO A 3 47.376 -5.530 5.285 1.00 50.83 C +ATOM 21 O PRO A 3 47.905 -4.747 6.076 1.00 41.98 O +ATOM 22 CB PRO A 3 48.429 -4.989 3.104 1.00 41.98 C +ATOM 23 CG PRO A 3 48.954 -3.636 3.525 1.00 41.98 C +ATOM 24 CD PRO A 3 47.716 -2.806 3.422 1.00 41.98 C +ATOM 25 N ASP A 4 46.979 -6.747 5.630 1.00 33.71 N +ATOM 26 CA ASP A 4 47.198 -7.202 6.998 1.00 33.71 C +ATOM 27 C ASP A 4 48.098 -8.422 7.210 1.00 33.71 C +ATOM 28 O ASP A 4 47.768 -9.320 7.993 1.00 63.53 O +ATOM 29 CB ASP A 4 45.870 -7.324 7.791 1.00 63.53 C +ATOM 30 CG ASP A 4 44.689 -7.821 6.951 1.00 63.53 C +ATOM 31 OD1 ASP A 4 44.860 -8.748 6.106 1.00 63.53 O +ATOM 32 OD2 ASP A 4 43.577 -7.274 7.181 1.00 63.53 O +ATOM 33 N PHE A 5 49.298 -8.364 6.627 1.00 35.51 N +ATOM 34 CA PHE A 5 50.233 -9.467 6.746 1.00 35.51 C +ATOM 35 C PHE A 5 50.825 -9.769 8.073 1.00 35.51 C +ATOM 36 O PHE A 5 51.301 -10.884 8.290 1.00 29.52 O +ATOM 37 CB PHE A 5 51.324 -9.459 5.708 1.00 29.52 C +ATOM 38 CG PHE A 5 51.754 -8.126 5.271 1.00 29.52 C +ATOM 39 CD1 PHE A 5 52.615 -7.393 6.034 1.00 29.52 C +ATOM 40 CD2 PHE A 5 51.443 -7.689 3.983 1.00 29.52 C +ATOM 41 CE1 PHE A 5 53.195 -6.240 5.517 1.00 29.52 C +ATOM 42 CE2 PHE A 5 52.003 -6.547 3.447 1.00 29.52 C +ATOM 43 CZ PHE A 5 52.890 -5.816 4.212 1.00 29.52 C +ATOM 44 N PHE A 6 50.800 -8.810 8.977 1.00 12.76 N +ATOM 45 CA PHE A 6 51.330 -9.095 10.313 1.00 12.76 C +ATOM 46 C PHE A 6 50.238 -9.699 11.200 1.00 12.76 C +ATOM 47 O PHE A 6 50.413 -9.861 12.420 1.00 45.59 O +ATOM 48 CB PHE A 6 51.998 -7.862 10.954 1.00 45.59 C +ATOM 49 CG PHE A 6 53.290 -7.458 10.290 1.00 45.59 C +ATOM 50 CD1 PHE A 6 53.610 -7.912 9.021 1.00 45.59 C +ATOM 51 CD2 PHE A 6 54.172 -6.621 10.927 1.00 45.59 C +ATOM 52 CE1 PHE A 6 54.785 -7.533 8.404 1.00 45.59 C +ATOM 53 CE2 PHE A 6 55.357 -6.236 10.310 1.00 45.59 C +ATOM 54 CZ PHE A 6 55.660 -6.695 9.045 1.00 45.59 C +ATOM 55 N GLN A 7 49.144 -10.070 10.535 1.00 18.40 N +ATOM 56 CA GLN A 7 47.985 -10.693 11.146 1.00 18.40 C +ATOM 57 C GLN A 7 48.003 -10.955 12.649 1.00 18.40 C +ATOM 58 O GLN A 7 47.476 -10.153 13.433 1.00 89.61 O +ATOM 59 CB GLN A 7 47.636 -11.998 10.414 1.00 89.61 C +ATOM 60 CG GLN A 7 46.574 -11.839 9.325 1.00 89.61 C +ATOM 61 CD GLN A 7 45.338 -11.097 9.821 1.00 89.61 C +ATOM 62 OE1 GLN A 7 44.993 -11.167 11.004 1.00 89.61 O +ATOM 63 NE2 GLN A 7 44.673 -10.373 8.918 1.00 89.61 N +ATOM 64 N GLY A 8 48.601 -12.064 13.060 1.00 28.11 N +ATOM 65 CA GLY A 8 48.591 -12.370 14.479 1.00 28.11 C +ATOM 66 C GLY A 8 49.964 -12.541 15.049 1.00 28.11 C +ATOM 67 O GLY A 8 50.177 -13.320 15.987 1.00 55.22 O +ATOM 68 N LYS A 9 50.880 -11.746 14.508 1.00 22.64 N +ATOM 69 CA LYS A 9 52.262 -11.792 14.911 1.00 22.64 C +ATOM 70 C LYS A 9 52.600 -10.687 15.893 1.00 22.64 C +ATOM 71 O LYS A 9 52.293 -9.540 15.666 1.00 37.27 O +ATOM 72 CB LYS A 9 53.126 -11.711 13.661 1.00 37.27 C +ATOM 73 CG LYS A 9 52.624 -12.600 12.543 1.00 37.27 C +ATOM 74 CD LYS A 9 53.520 -12.478 11.334 1.00 37.27 C +ATOM 75 CE LYS A 9 52.951 -13.191 10.123 1.00 37.27 C +ATOM 76 NZ LYS A 9 52.675 -14.646 10.396 1.00 37.27 N +ATOM 77 N HIS A 10 53.201 -11.060 17.006 1.00 17.02 N +ATOM 78 CA HIS A 10 53.613 -10.114 18.024 1.00 17.02 C +ATOM 79 C HIS A 10 55.033 -9.643 17.901 1.00 17.02 C +ATOM 80 O HIS A 10 55.958 -10.419 17.631 1.00 29.94 O +ATOM 81 CB HIS A 10 53.394 -10.700 19.390 1.00 29.94 C +ATOM 82 CG HIS A 10 51.993 -11.141 19.578 1.00 29.94 C +ATOM 83 ND1 HIS A 10 51.242 -11.627 18.526 1.00 29.94 N +ATOM 84 CD2 HIS A 10 51.179 -11.121 20.656 1.00 29.94 C +ATOM 85 CE1 HIS A 10 50.021 -11.892 18.953 1.00 29.94 C +ATOM 86 NE2 HIS A 10 49.956 -11.593 20.241 1.00 29.94 N +ATOM 87 N PHE A 11 55.207 -8.346 18.104 1.00 20.50 N +ATOM 88 CA PHE A 11 56.521 -7.780 18.013 1.00 20.50 C +ATOM 89 C PHE A 11 56.996 -7.151 19.259 1.00 20.50 C +ATOM 90 O PHE A 11 56.237 -6.921 20.179 1.00 9.71 O +ATOM 91 CB PHE A 11 56.564 -6.781 16.939 1.00 9.71 C +ATOM 92 CG PHE A 11 56.203 -7.332 15.640 1.00 9.71 C +ATOM 93 CD1 PHE A 11 54.930 -7.826 15.426 1.00 9.71 C +ATOM 94 CD2 PHE A 11 57.103 -7.275 14.594 1.00 9.71 C +ATOM 95 CE1 PHE A 11 54.538 -8.245 14.191 1.00 9.71 C +ATOM 96 CE2 PHE A 11 56.730 -7.688 13.341 1.00 9.71 C +ATOM 97 CZ PHE A 11 55.426 -8.180 13.133 1.00 9.71 C +ATOM 98 N PHE A 12 58.297 -6.941 19.303 1.00 25.15 N +ATOM 99 CA PHE A 12 58.908 -6.324 20.435 1.00 25.15 C +ATOM 100 C PHE A 12 60.068 -5.561 19.919 1.00 25.15 C +ATOM 101 O PHE A 12 60.887 -6.086 19.174 1.00 26.84 O +ATOM 102 CB PHE A 12 59.392 -7.331 21.400 1.00 26.84 C +ATOM 103 CG PHE A 12 59.833 -6.729 22.641 1.00 26.84 C +ATOM 104 CD1 PHE A 12 58.914 -6.204 23.517 1.00 26.84 C +ATOM 105 CD2 PHE A 12 61.155 -6.698 22.975 1.00 26.84 C +ATOM 106 CE1 PHE A 12 59.311 -5.657 24.731 1.00 26.84 C +ATOM 107 CE2 PHE A 12 61.563 -6.153 24.189 1.00 26.84 C +ATOM 108 CZ PHE A 12 60.639 -5.634 25.069 1.00 26.84 C +ATOM 109 N LEU A 13 60.090 -4.280 20.241 1.00 23.99 N +ATOM 110 CA LEU A 13 61.171 -3.450 19.774 1.00 23.99 C +ATOM 111 C LEU A 13 62.136 -3.541 20.910 1.00 23.99 C +ATOM 112 O LEU A 13 61.798 -3.173 22.040 1.00 26.00 O +ATOM 113 CB LEU A 13 60.665 -2.045 19.548 1.00 26.00 C +ATOM 114 CG LEU A 13 59.420 -2.027 18.654 1.00 26.00 C +ATOM 115 CD1 LEU A 13 59.488 -0.834 17.745 1.00 26.00 C +ATOM 116 CD2 LEU A 13 59.353 -3.238 17.758 1.00 26.00 C +ATOM 117 N TYR A 14 63.292 -4.139 20.648 1.00 34.72 N +ATOM 118 CA TYR A 14 64.252 -4.316 21.714 1.00 34.72 C +ATOM 119 C TYR A 14 65.214 -3.182 21.894 1.00 34.72 C +ATOM 120 O TYR A 14 65.417 -2.653 23.021 1.00 23.49 O +ATOM 121 CB TYR A 14 65.059 -5.583 21.528 1.00 23.49 C +ATOM 122 CG TYR A 14 65.925 -5.861 22.723 1.00 23.49 C +ATOM 123 CD1 TYR A 14 65.343 -6.233 23.921 1.00 23.49 C +ATOM 124 CD2 TYR A 14 67.308 -5.663 22.684 1.00 23.49 C +ATOM 125 CE1 TYR A 14 66.087 -6.397 25.071 1.00 23.49 C +ATOM 126 CE2 TYR A 14 68.088 -5.822 23.839 1.00 23.49 C +ATOM 127 CZ TYR A 14 67.459 -6.188 25.044 1.00 23.49 C +ATOM 128 OH TYR A 14 68.158 -6.309 26.246 1.00 23.49 O +ATOM 129 N GLY A 15 65.830 -2.814 20.786 1.00 37.84 N +ATOM 130 CA GLY A 15 66.808 -1.759 20.871 1.00 37.84 C +ATOM 131 C GLY A 15 66.570 -0.462 21.656 1.00 37.84 C +ATOM 132 O GLY A 15 65.769 -0.312 22.601 1.00 61.88 O +ATOM 133 N GLU A 16 67.479 0.430 21.292 1.00 41.00 N +ATOM 134 CA GLU A 16 67.593 1.792 21.717 1.00 41.00 C +ATOM 135 C GLU A 16 67.266 2.217 20.302 1.00 41.00 C +ATOM 136 O GLU A 16 67.926 1.808 19.337 1.00 57.42 O +ATOM 137 CB GLU A 16 69.062 2.128 21.972 1.00 57.42 C +ATOM 138 CG GLU A 16 69.482 2.518 23.378 1.00 57.42 C +ATOM 139 CD GLU A 16 70.772 3.365 23.357 1.00 57.42 C +ATOM 140 OE1 GLU A 16 71.404 3.469 22.272 1.00 57.42 O +ATOM 141 OE2 GLU A 16 71.142 3.959 24.405 1.00 57.42 O +ATOM 142 N PHE A 17 66.159 2.890 20.133 1.00 44.64 N +ATOM 143 CA PHE A 17 65.865 3.305 18.787 1.00 44.64 C +ATOM 144 C PHE A 17 65.828 4.836 18.697 1.00 44.64 C +ATOM 145 O PHE A 17 65.439 5.519 19.677 1.00 35.82 O +ATOM 146 CB PHE A 17 64.512 2.770 18.343 1.00 35.82 C +ATOM 147 CG PHE A 17 64.447 1.300 18.160 1.00 35.82 C +ATOM 148 CD1 PHE A 17 64.093 0.482 19.224 1.00 35.82 C +ATOM 149 CD2 PHE A 17 64.601 0.758 16.897 1.00 35.82 C +ATOM 150 CE1 PHE A 17 63.884 -0.847 19.031 1.00 35.82 C +ATOM 151 CE2 PHE A 17 64.397 -0.561 16.692 1.00 35.82 C +ATOM 152 CZ PHE A 17 64.033 -1.379 17.765 1.00 35.82 C +ATOM 153 N PRO A 18 66.184 5.380 17.504 1.00 47.85 N +ATOM 154 CA PRO A 18 66.243 6.793 17.101 1.00 47.85 C +ATOM 155 C PRO A 18 64.888 7.541 17.194 1.00 47.85 C +ATOM 156 O PRO A 18 64.500 8.256 16.252 1.00 66.62 O +ATOM 157 CB PRO A 18 66.707 6.703 15.647 1.00 66.62 C +ATOM 158 CG PRO A 18 67.560 5.480 15.639 1.00 66.62 C +ATOM 159 CD PRO A 18 66.728 4.522 16.431 1.00 66.62 C +ATOM 160 N GLY A 19 64.192 7.367 18.325 1.00 83.38 N +ATOM 161 CA GLY A 19 62.918 8.022 18.568 1.00 83.38 C +ATOM 162 C GLY A 19 61.884 7.834 17.475 1.00 83.38 C +ATOM 163 O GLY A 19 61.043 6.946 17.567 1.00 45.58 O +ATOM 164 N ASP A 20 61.939 8.667 16.435 1.00 38.61 N +ATOM 165 CA ASP A 20 60.985 8.565 15.341 1.00 38.61 C +ATOM 166 C ASP A 20 61.010 7.204 14.658 1.00 38.61 C +ATOM 167 O ASP A 20 60.098 6.861 13.901 1.00 73.20 O +ATOM 168 CB ASP A 20 61.170 9.705 14.316 1.00 73.20 C +ATOM 169 CG ASP A 20 62.629 9.917 13.906 1.00 73.20 C +ATOM 170 OD1 ASP A 20 63.169 9.078 13.148 1.00 73.20 O +ATOM 171 OD2 ASP A 20 63.224 10.945 14.323 1.00 73.20 O +ATOM 172 N GLU A 21 62.042 6.412 14.926 1.00 39.78 N +ATOM 173 CA GLU A 21 62.098 5.106 14.302 1.00 39.78 C +ATOM 174 C GLU A 21 61.077 4.246 14.981 1.00 39.78 C +ATOM 175 O GLU A 21 60.210 3.668 14.333 1.00 61.00 O +ATOM 176 CB GLU A 21 63.477 4.502 14.411 1.00 61.00 C +ATOM 177 CG GLU A 21 64.158 4.438 13.068 1.00 61.00 C +ATOM 178 CD GLU A 21 64.875 3.112 12.835 1.00 61.00 C +ATOM 179 OE1 GLU A 21 65.624 2.646 13.743 1.00 61.00 O +ATOM 180 OE2 GLU A 21 64.692 2.537 11.732 1.00 61.00 O +ATOM 181 N ARG A 22 61.159 4.216 16.303 1.00 19.76 N +ATOM 182 CA ARG A 22 60.212 3.472 17.099 1.00 19.76 C +ATOM 183 C ARG A 22 58.802 3.763 16.553 1.00 19.76 C +ATOM 184 O ARG A 22 58.063 2.851 16.168 1.00 52.46 O +ATOM 185 CB ARG A 22 60.332 3.914 18.528 1.00 52.46 C +ATOM 186 CG ARG A 22 59.266 3.394 19.378 1.00 52.46 C +ATOM 187 CD ARG A 22 59.671 3.580 20.787 1.00 52.46 C +ATOM 188 NE ARG A 22 60.955 2.934 21.026 1.00 52.46 N +ATOM 189 CZ ARG A 22 61.126 1.935 21.892 1.00 52.46 C +ATOM 190 NH1 ARG A 22 60.072 1.497 22.591 1.00 52.46 N +ATOM 191 NH2 ARG A 22 62.332 1.357 22.044 1.00 52.46 N +ATOM 192 N ARG A 23 58.505 5.043 16.377 1.00 27.27 N +ATOM 193 CA ARG A 23 57.228 5.477 15.847 1.00 27.27 C +ATOM 194 C ARG A 23 56.923 4.765 14.541 1.00 27.27 C +ATOM 195 O ARG A 23 55.905 4.092 14.413 1.00 88.32 O +ATOM 196 CB ARG A 23 57.289 6.974 15.597 1.00 88.32 C +ATOM 197 CG ARG A 23 56.380 7.791 16.468 1.00 88.32 C +ATOM 198 CD ARG A 23 55.232 8.360 15.644 1.00 88.32 C +ATOM 199 NE ARG A 23 55.196 9.824 15.674 1.00 88.32 N +ATOM 200 CZ ARG A 23 54.204 10.561 15.182 1.00 88.32 C +ATOM 201 NH1 ARG A 23 53.156 9.968 14.614 1.00 88.32 N +ATOM 202 NH2 ARG A 23 54.259 11.892 15.264 1.00 88.32 N +ATOM 203 N LYS A 24 57.852 4.877 13.595 1.00 19.87 N +ATOM 204 CA LYS A 24 57.699 4.275 12.268 1.00 19.87 C +ATOM 205 C LYS A 24 57.323 2.819 12.400 1.00 19.87 C +ATOM 206 O LYS A 24 56.346 2.341 11.827 1.00 77.10 O +ATOM 207 CB LYS A 24 59.007 4.371 11.473 1.00 77.10 C +ATOM 208 CG LYS A 24 59.333 5.743 10.927 1.00 77.10 C +ATOM 209 CD LYS A 24 59.432 5.738 9.388 1.00 77.10 C +ATOM 210 CE LYS A 24 60.833 5.345 8.876 1.00 77.10 C +ATOM 211 NZ LYS A 24 60.936 5.291 7.372 1.00 77.10 N +ATOM 212 N LEU A 25 58.102 2.142 13.225 1.00 22.47 N +ATOM 213 CA LEU A 25 57.932 0.740 13.458 1.00 22.47 C +ATOM 214 C LEU A 25 56.544 0.521 13.883 1.00 22.47 C +ATOM 215 O LEU A 25 55.746 -0.019 13.121 1.00 23.07 O +ATOM 216 CB LEU A 25 58.899 0.275 14.522 1.00 23.07 C +ATOM 217 CG LEU A 25 60.300 0.337 13.914 1.00 23.07 C +ATOM 218 CD1 LEU A 25 61.270 -0.271 14.891 1.00 23.07 C +ATOM 219 CD2 LEU A 25 60.339 -0.398 12.553 1.00 23.07 C +ATOM 220 N ILE A 26 56.234 1.052 15.054 1.00 10.92 N +ATOM 221 CA ILE A 26 54.894 0.928 15.596 1.00 10.92 C +ATOM 222 C ILE A 26 53.847 1.306 14.582 1.00 10.92 C +ATOM 223 O ILE A 26 52.811 0.622 14.470 1.00 2.00 O +ATOM 224 CB ILE A 26 54.693 1.818 16.749 1.00 2.00 C +ATOM 225 CG1 ILE A 26 55.724 1.484 17.798 1.00 2.00 C +ATOM 226 CG2 ILE A 26 53.339 1.609 17.294 1.00 2.00 C +ATOM 227 CD1 ILE A 26 55.677 2.408 18.953 1.00 2.00 C +ATOM 228 N ARG A 27 54.111 2.391 13.848 1.00 6.45 N +ATOM 229 CA ARG A 27 53.163 2.812 12.836 1.00 6.45 C +ATOM 230 C ARG A 27 52.997 1.618 11.913 1.00 6.45 C +ATOM 231 O ARG A 27 51.985 0.917 11.967 1.00 41.72 O +ATOM 232 CB ARG A 27 53.644 4.037 12.062 1.00 41.72 C +ATOM 233 CG ARG A 27 52.625 4.454 11.021 1.00 41.72 C +ATOM 234 CD ARG A 27 52.943 5.743 10.327 1.00 41.72 C +ATOM 235 NE ARG A 27 52.051 5.902 9.189 1.00 41.72 N +ATOM 236 CZ ARG A 27 52.333 6.622 8.107 1.00 41.72 C +ATOM 237 NH1 ARG A 27 53.487 7.272 8.008 1.00 41.72 N +ATOM 238 NH2 ARG A 27 51.493 6.635 7.084 1.00 41.72 N +ATOM 239 N TYR A 28 54.083 1.277 11.232 1.00 16.93 N +ATOM 240 CA TYR A 28 54.096 0.166 10.308 1.00 16.93 C +ATOM 241 C TYR A 28 53.581 -1.175 10.807 1.00 16.93 C +ATOM 242 O TYR A 28 52.844 -1.861 10.111 1.00 29.56 O +ATOM 243 CB TYR A 28 55.484 0.038 9.767 1.00 29.56 C +ATOM 244 CG TYR A 28 55.700 1.080 8.745 1.00 29.56 C +ATOM 245 CD1 TYR A 28 55.080 0.971 7.508 1.00 29.56 C +ATOM 246 CD2 TYR A 28 56.464 2.211 9.017 1.00 29.56 C +ATOM 247 CE1 TYR A 28 55.202 1.960 6.560 1.00 29.56 C +ATOM 248 CE2 TYR A 28 56.604 3.232 8.062 1.00 29.56 C +ATOM 249 CZ TYR A 28 55.961 3.101 6.828 1.00 29.56 C +ATOM 250 OH TYR A 28 56.010 4.112 5.866 1.00 29.56 O +ATOM 251 N VAL A 29 53.942 -1.539 12.023 1.00 12.14 N +ATOM 252 CA VAL A 29 53.494 -2.804 12.543 1.00 12.14 C +ATOM 253 C VAL A 29 52.004 -2.784 12.668 1.00 12.14 C +ATOM 254 O VAL A 29 51.317 -3.419 11.864 1.00 10.85 O +ATOM 255 CB VAL A 29 54.095 -3.110 13.907 1.00 10.85 C +ATOM 256 CG1 VAL A 29 53.458 -4.335 14.496 1.00 10.85 C +ATOM 257 CG2 VAL A 29 55.571 -3.292 13.774 1.00 10.85 C +ATOM 258 N THR A 30 51.501 -1.998 13.626 1.00 19.90 N +ATOM 259 CA THR A 30 50.057 -1.929 13.862 1.00 19.90 C +ATOM 260 C THR A 30 49.358 -1.651 12.531 1.00 19.90 C +ATOM 261 O THR A 30 48.337 -2.229 12.208 1.00 14.31 O +ATOM 262 CB THR A 30 49.631 -0.837 14.896 1.00 14.31 C +ATOM 263 OG1 THR A 30 49.665 0.402 14.243 1.00 14.31 O +ATOM 264 CG2 THR A 30 50.537 -0.757 16.106 1.00 14.31 C +ATOM 265 N ALA A 31 49.960 -0.806 11.728 1.00 2.00 N +ATOM 266 CA ALA A 31 49.361 -0.521 10.444 1.00 2.00 C +ATOM 267 C ALA A 31 49.043 -1.795 9.689 1.00 2.00 C +ATOM 268 O ALA A 31 47.985 -1.917 9.066 1.00 33.85 O +ATOM 269 CB ALA A 31 50.261 0.348 9.598 1.00 33.85 C +ATOM 270 N PHE A 32 49.973 -2.741 9.719 1.00 20.66 N +ATOM 271 CA PHE A 32 49.775 -3.998 9.017 1.00 20.66 C +ATOM 272 C PHE A 32 49.133 -5.027 9.879 1.00 20.66 C +ATOM 273 O PHE A 32 49.116 -6.204 9.584 1.00 29.88 O +ATOM 274 CB PHE A 32 51.063 -4.462 8.445 1.00 29.88 C +ATOM 275 CG PHE A 32 51.585 -3.533 7.457 1.00 29.88 C +ATOM 276 CD1 PHE A 32 50.809 -3.178 6.387 1.00 29.88 C +ATOM 277 CD2 PHE A 32 52.856 -3.019 7.572 1.00 29.88 C +ATOM 278 CE1 PHE A 32 51.300 -2.310 5.411 1.00 29.88 C +ATOM 279 CE2 PHE A 32 53.363 -2.154 6.618 1.00 29.88 C +ATOM 280 CZ PHE A 32 52.585 -1.795 5.526 1.00 29.88 C +ATOM 281 N ASN A 33 48.559 -4.531 10.947 1.00 25.61 N +ATOM 282 CA ASN A 33 47.824 -5.350 11.856 1.00 25.61 C +ATOM 283 C ASN A 33 48.691 -6.200 12.682 1.00 25.61 C +ATOM 284 O ASN A 33 48.336 -7.301 13.068 1.00 45.91 O +ATOM 285 CB ASN A 33 46.791 -6.167 11.121 1.00 45.91 C +ATOM 286 CG ASN A 33 45.653 -6.525 11.994 1.00 45.91 C +ATOM 287 OD1 ASN A 33 45.438 -5.925 13.050 1.00 45.91 O +ATOM 288 ND2 ASN A 33 44.915 -7.525 11.585 1.00 45.91 N +ATOM 289 N GLY A 34 49.847 -5.650 12.973 1.00 24.91 N +ATOM 290 CA GLY A 34 50.755 -6.366 13.814 1.00 24.91 C +ATOM 291 C GLY A 34 50.345 -6.115 15.250 1.00 24.91 C +ATOM 292 O GLY A 34 49.622 -5.158 15.544 1.00 22.53 O +ATOM 293 N GLU A 35 50.761 -7.036 16.117 1.00 18.37 N +ATOM 294 CA GLU A 35 50.532 -6.982 17.548 1.00 18.37 C +ATOM 295 C GLU A 35 51.860 -6.468 18.100 1.00 18.37 C +ATOM 296 O GLU A 35 52.938 -6.845 17.625 1.00 83.19 O +ATOM 297 CB GLU A 35 50.247 -8.378 18.093 1.00 83.19 C +ATOM 298 CG GLU A 35 49.211 -8.402 19.188 1.00 83.19 C +ATOM 299 CD GLU A 35 47.854 -7.959 18.691 1.00 83.19 C +ATOM 300 OE1 GLU A 35 47.258 -8.685 17.855 1.00 83.19 O +ATOM 301 OE2 GLU A 35 47.397 -6.880 19.132 1.00 83.19 O +ATOM 302 N LEU A 36 51.775 -5.607 19.102 1.00 19.01 N +ATOM 303 CA LEU A 36 52.960 -5.005 19.680 1.00 19.01 C +ATOM 304 C LEU A 36 53.034 -5.159 21.185 1.00 19.01 C +ATOM 305 O LEU A 36 52.135 -4.707 21.921 1.00 38.20 O +ATOM 306 CB LEU A 36 52.998 -3.550 19.281 1.00 38.20 C +ATOM 307 CG LEU A 36 54.292 -3.246 18.576 1.00 38.20 C +ATOM 308 CD1 LEU A 36 54.056 -2.559 17.251 1.00 38.20 C +ATOM 309 CD2 LEU A 36 55.104 -2.410 19.527 1.00 38.20 C +ATOM 310 N GLU A 37 54.124 -5.779 21.633 1.00 5.67 N +ATOM 311 CA GLU A 37 54.345 -6.057 23.055 1.00 5.67 C +ATOM 312 C GLU A 37 55.193 -5.022 23.752 1.00 5.67 C +ATOM 313 O GLU A 37 56.064 -4.383 23.131 1.00 37.56 O +ATOM 314 CB GLU A 37 54.961 -7.442 23.256 1.00 37.56 C +ATOM 315 CG GLU A 37 54.111 -8.579 22.720 1.00 37.56 C +ATOM 316 CD GLU A 37 52.815 -8.742 23.474 1.00 37.56 C +ATOM 317 OE1 GLU A 37 52.821 -8.577 24.728 1.00 37.56 O +ATOM 318 OE2 GLU A 37 51.804 -9.044 22.794 1.00 37.56 O +ATOM 319 N ASP A 38 54.928 -4.864 25.049 1.00 19.55 N +ATOM 320 CA ASP A 38 55.617 -3.864 25.858 1.00 19.55 C +ATOM 321 C ASP A 38 56.670 -4.477 26.717 1.00 19.55 C +ATOM 322 O ASP A 38 57.301 -3.791 27.511 1.00 91.87 O +ATOM 323 CB ASP A 38 54.609 -3.102 26.703 1.00 91.87 C +ATOM 324 CG ASP A 38 53.450 -2.588 25.881 1.00 91.87 C +ATOM 325 OD1 ASP A 38 53.687 -1.751 24.973 1.00 91.87 O +ATOM 326 OD2 ASP A 38 52.313 -3.054 26.120 1.00 91.87 O +ATOM 327 N TYR A 39 56.826 -5.787 26.568 1.00 30.00 N +ATOM 328 CA TYR A 39 57.831 -6.555 27.279 1.00 30.00 C +ATOM 329 C TYR A 39 57.940 -7.941 26.686 1.00 30.00 C +ATOM 330 O TYR A 39 56.979 -8.491 26.138 1.00 68.68 O +ATOM 331 CB TYR A 39 57.591 -6.619 28.782 1.00 68.68 C +ATOM 332 CG TYR A 39 56.254 -7.151 29.165 1.00 68.68 C +ATOM 333 CD1 TYR A 39 55.119 -6.364 29.033 1.00 68.68 C +ATOM 334 CD2 TYR A 39 56.121 -8.422 29.713 1.00 68.68 C +ATOM 335 CE1 TYR A 39 53.873 -6.820 29.445 1.00 68.68 C +ATOM 336 CE2 TYR A 39 54.879 -8.897 30.132 1.00 68.68 C +ATOM 337 CZ TYR A 39 53.751 -8.085 30.001 1.00 68.68 C +ATOM 338 OH TYR A 39 52.511 -8.508 30.464 1.00 68.68 O +ATOM 339 N MET A 40 59.167 -8.443 26.723 1.00 47.77 N +ATOM 340 CA MET A 40 59.518 -9.751 26.216 1.00 47.77 C +ATOM 341 C MET A 40 58.763 -10.751 27.081 1.00 47.77 C +ATOM 342 O MET A 40 58.885 -10.753 28.318 1.00 24.28 O +ATOM 343 CB MET A 40 61.009 -9.934 26.384 1.00 24.28 C +ATOM 344 CG MET A 40 61.617 -11.005 25.586 1.00 24.28 C +ATOM 345 SD MET A 40 61.915 -10.374 24.038 1.00 24.28 S +ATOM 346 CE MET A 40 61.005 -11.483 23.219 1.00 24.28 C +ATOM 347 N SER A 41 57.938 -11.549 26.410 1.00 38.19 N +ATOM 348 CA SER A 41 57.089 -12.569 27.015 1.00 38.19 C +ATOM 349 C SER A 41 56.741 -13.530 25.891 1.00 38.19 C +ATOM 350 O SER A 41 56.793 -13.184 24.704 1.00 42.68 O +ATOM 351 CB SER A 41 55.794 -11.936 27.514 1.00 42.68 C +ATOM 352 OG SER A 41 55.065 -11.363 26.428 1.00 42.68 O +ATOM 353 N ASP A 42 56.274 -14.702 26.280 1.00 25.07 N +ATOM 354 CA ASP A 42 55.896 -15.758 25.351 1.00 25.07 C +ATOM 355 C ASP A 42 55.072 -15.338 24.137 1.00 25.07 C +ATOM 356 O ASP A 42 55.144 -15.993 23.100 1.00 74.09 O +ATOM 357 CB ASP A 42 55.169 -16.831 26.132 1.00 74.09 C +ATOM 358 CG ASP A 42 55.696 -16.947 27.538 1.00 74.09 C +ATOM 359 OD1 ASP A 42 56.756 -17.587 27.738 1.00 74.09 O +ATOM 360 OD2 ASP A 42 55.086 -16.326 28.433 1.00 74.09 O +ATOM 361 N ARG A 43 54.342 -14.228 24.225 1.00 35.80 N +ATOM 362 CA ARG A 43 53.515 -13.815 23.095 1.00 35.80 C +ATOM 363 C ARG A 43 54.348 -13.428 21.884 1.00 35.80 C +ATOM 364 O ARG A 43 53.923 -13.602 20.735 1.00 75.34 O +ATOM 365 CB ARG A 43 52.619 -12.635 23.480 1.00 75.34 C +ATOM 366 CG ARG A 43 51.857 -12.802 24.782 1.00 75.34 C +ATOM 367 CD ARG A 43 50.946 -11.611 25.091 1.00 75.34 C +ATOM 368 NE ARG A 43 50.665 -11.532 26.524 1.00 75.34 N +ATOM 369 CZ ARG A 43 50.955 -10.487 27.302 1.00 75.34 C +ATOM 370 NH1 ARG A 43 51.533 -9.401 26.793 1.00 75.34 N +ATOM 371 NH2 ARG A 43 50.698 -10.544 28.609 1.00 75.34 N +ATOM 372 N VAL A 44 55.578 -13.002 22.160 1.00 10.35 N +ATOM 373 CA VAL A 44 56.472 -12.505 21.130 1.00 10.35 C +ATOM 374 C VAL A 44 56.951 -13.476 20.063 1.00 10.35 C +ATOM 375 O VAL A 44 57.375 -14.570 20.352 1.00 21.87 O +ATOM 376 CB VAL A 44 57.662 -11.802 21.756 1.00 21.87 C +ATOM 377 CG1 VAL A 44 58.358 -10.941 20.693 1.00 21.87 C +ATOM 378 CG2 VAL A 44 57.207 -10.969 22.936 1.00 21.87 C +ATOM 379 N GLN A 45 56.933 -13.043 18.824 1.00 15.38 N +ATOM 380 CA GLN A 45 57.354 -13.904 17.768 1.00 15.38 C +ATOM 381 C GLN A 45 58.482 -13.253 17.051 1.00 15.38 C +ATOM 382 O GLN A 45 59.255 -13.920 16.363 1.00 47.15 O +ATOM 383 CB GLN A 45 56.194 -14.151 16.839 1.00 47.15 C +ATOM 384 CG GLN A 45 55.145 -14.967 17.507 1.00 47.15 C +ATOM 385 CD GLN A 45 53.797 -14.742 16.919 1.00 47.15 C +ATOM 386 OE1 GLN A 45 52.868 -14.354 17.627 1.00 47.15 O +ATOM 387 NE2 GLN A 45 53.662 -14.983 15.615 1.00 47.15 N +ATOM 388 N PHE A 46 58.533 -11.931 17.146 1.00 22.77 N +ATOM 389 CA PHE A 46 59.608 -11.196 16.524 1.00 22.77 C +ATOM 390 C PHE A 46 60.097 -10.117 17.377 1.00 22.77 C +ATOM 391 O PHE A 46 59.323 -9.315 17.844 1.00 25.06 O +ATOM 392 CB PHE A 46 59.162 -10.550 15.287 1.00 25.06 C +ATOM 393 CG PHE A 46 58.652 -11.484 14.338 1.00 25.06 C +ATOM 394 CD1 PHE A 46 57.389 -11.995 14.493 1.00 25.06 C +ATOM 395 CD2 PHE A 46 59.404 -11.840 13.251 1.00 25.06 C +ATOM 396 CE1 PHE A 46 56.876 -12.844 13.565 1.00 25.06 C +ATOM 397 CE2 PHE A 46 58.910 -12.690 12.311 1.00 25.06 C +ATOM 398 CZ PHE A 46 57.640 -13.197 12.457 1.00 25.06 C +ATOM 399 N VAL A 47 61.396 -10.108 17.594 1.00 14.34 N +ATOM 400 CA VAL A 47 62.000 -9.064 18.362 1.00 14.34 C +ATOM 401 C VAL A 47 62.650 -8.140 17.362 1.00 14.34 C +ATOM 402 O VAL A 47 63.488 -8.560 16.572 1.00 6.62 O +ATOM 403 CB VAL A 47 63.042 -9.602 19.251 1.00 6.62 C +ATOM 404 CG1 VAL A 47 63.847 -8.461 19.827 1.00 6.62 C +ATOM 405 CG2 VAL A 47 62.379 -10.383 20.324 1.00 6.62 C +ATOM 406 N ILE A 48 62.204 -6.899 17.313 1.00 21.43 N +ATOM 407 CA ILE A 48 62.838 -6.024 16.385 1.00 21.43 C +ATOM 408 C ILE A 48 63.921 -5.302 17.078 1.00 21.43 C +ATOM 409 O ILE A 48 63.746 -4.790 18.188 1.00 14.80 O +ATOM 410 CB ILE A 48 61.934 -5.048 15.796 1.00 14.80 C +ATOM 411 CG1 ILE A 48 60.717 -5.770 15.259 1.00 14.80 C +ATOM 412 CG2 ILE A 48 62.639 -4.417 14.662 1.00 14.80 C +ATOM 413 CD1 ILE A 48 61.085 -6.966 14.402 1.00 14.80 C +ATOM 414 N THR A 49 65.097 -5.385 16.488 1.00 12.28 N +ATOM 415 CA THR A 49 66.206 -4.675 17.061 1.00 12.28 C +ATOM 416 C THR A 49 67.194 -4.155 16.039 1.00 12.28 C +ATOM 417 O THR A 49 67.428 -4.756 14.973 1.00 24.62 O +ATOM 418 CB THR A 49 66.871 -5.414 18.189 1.00 24.62 C +ATOM 419 OG1 THR A 49 67.563 -4.461 18.994 1.00 24.62 O +ATOM 420 CG2 THR A 49 67.832 -6.396 17.675 1.00 24.62 C +ATOM 421 N ALA A 50 67.571 -2.906 16.297 1.00 49.81 N +ATOM 422 CA ALA A 50 68.502 -2.180 15.463 1.00 49.81 C +ATOM 423 C ALA A 50 69.839 -2.467 16.071 1.00 49.81 C +ATOM 424 O ALA A 50 70.858 -2.495 15.380 1.00 44.08 O +ATOM 425 CB ALA A 50 68.206 -0.722 15.530 1.00 44.08 C +ATOM 426 N GLN A 51 69.810 -2.683 17.382 1.00 36.81 N +ATOM 427 CA GLN A 51 70.992 -3.012 18.141 1.00 36.81 C +ATOM 428 C GLN A 51 71.566 -4.343 17.695 1.00 36.81 C +ATOM 429 O GLN A 51 71.111 -4.956 16.724 1.00 72.16 O +ATOM 430 CB GLN A 51 70.638 -3.148 19.597 1.00 72.16 C +ATOM 431 CG GLN A 51 70.729 -1.897 20.387 1.00 72.16 C +ATOM 432 CD GLN A 51 70.655 -2.215 21.868 1.00 72.16 C +ATOM 433 OE1 GLN A 51 70.224 -1.383 22.689 1.00 72.16 O +ATOM 434 NE2 GLN A 51 71.061 -3.445 22.227 1.00 72.16 N +ATOM 435 N GLU A 52 72.533 -4.818 18.471 1.00 45.82 N +ATOM 436 CA GLU A 52 73.209 -6.072 18.183 1.00 45.82 C +ATOM 437 C GLU A 52 72.845 -7.182 19.123 1.00 45.82 C +ATOM 438 O GLU A 52 72.293 -6.943 20.199 1.00109.81 O +ATOM 439 CB GLU A 52 74.728 -5.885 18.157 1.00109.81 C +ATOM 440 CG GLU A 52 75.217 -5.243 16.872 1.00109.81 C +ATOM 441 CD GLU A 52 74.536 -5.840 15.641 1.00109.81 C +ATOM 442 OE1 GLU A 52 74.970 -6.915 15.170 1.00109.81 O +ATOM 443 OE2 GLU A 52 73.549 -5.245 15.156 1.00109.81 O +ATOM 444 N TRP A 53 73.193 -8.396 18.709 1.00 43.68 N +ATOM 445 CA TRP A 53 72.892 -9.572 19.484 1.00 43.68 C +ATOM 446 C TRP A 53 73.127 -9.385 21.001 1.00 43.68 C +ATOM 447 O TRP A 53 74.171 -8.893 21.407 1.00 40.09 O +ATOM 448 CB TRP A 53 73.663 -10.772 18.938 1.00 40.09 C +ATOM 449 CG TRP A 53 73.196 -11.989 19.626 1.00 40.09 C +ATOM 450 CD1 TRP A 53 73.609 -12.449 20.837 1.00 40.09 C +ATOM 451 CD2 TRP A 53 72.085 -12.790 19.255 1.00 40.09 C +ATOM 452 NE1 TRP A 53 72.804 -13.466 21.256 1.00 40.09 N +ATOM 453 CE2 TRP A 53 71.857 -13.695 20.299 1.00 40.09 C +ATOM 454 CE3 TRP A 53 71.247 -12.820 18.143 1.00 40.09 C +ATOM 455 CZ2 TRP A 53 70.827 -14.618 20.269 1.00 40.09 C +ATOM 456 CZ3 TRP A 53 70.220 -13.739 18.113 1.00 40.09 C +ATOM 457 CH2 TRP A 53 70.019 -14.624 19.169 1.00 40.09 C +ATOM 458 N ASP A 54 72.161 -9.773 21.833 1.00 27.19 N +ATOM 459 CA ASP A 54 72.287 -9.608 23.285 1.00 27.19 C +ATOM 460 C ASP A 54 72.083 -10.914 24.026 1.00 27.19 C +ATOM 461 O ASP A 54 71.198 -11.701 23.694 1.00 59.27 O +ATOM 462 CB ASP A 54 71.244 -8.594 23.788 1.00 59.27 C +ATOM 463 CG ASP A 54 71.481 -8.151 25.227 1.00 59.27 C +ATOM 464 OD1 ASP A 54 71.444 -8.979 26.152 1.00 59.27 O +ATOM 465 OD2 ASP A 54 71.701 -6.945 25.437 1.00 59.27 O +ATOM 466 N PRO A 55 72.926 -11.175 25.031 1.00 42.03 N +ATOM 467 CA PRO A 55 72.866 -12.379 25.867 1.00 42.03 C +ATOM 468 C PRO A 55 71.430 -12.659 26.256 1.00 42.03 C +ATOM 469 O PRO A 55 71.023 -13.816 26.367 1.00 50.23 O +ATOM 470 CB PRO A 55 73.676 -11.966 27.080 1.00 50.23 C +ATOM 471 CG PRO A 55 74.816 -11.232 26.425 1.00 50.23 C +ATOM 472 CD PRO A 55 74.189 -10.452 25.257 1.00 50.23 C +ATOM 473 N SER A 56 70.676 -11.566 26.402 1.00 34.52 N +ATOM 474 CA SER A 56 69.257 -11.565 26.770 1.00 34.52 C +ATOM 475 C SER A 56 68.502 -12.478 25.845 1.00 34.52 C +ATOM 476 O SER A 56 67.694 -13.306 26.272 1.00 55.30 O +ATOM 477 CB SER A 56 68.679 -10.150 26.635 1.00 55.30 C +ATOM 478 OG SER A 56 69.353 -9.232 27.486 1.00 55.30 O +ATOM 479 N PHE A 57 68.810 -12.339 24.565 1.00 25.48 N +ATOM 480 CA PHE A 57 68.170 -13.129 23.530 1.00 25.48 C +ATOM 481 C PHE A 57 68.197 -14.595 23.866 1.00 25.48 C +ATOM 482 O PHE A 57 67.151 -15.219 24.022 1.00 45.56 O +ATOM 483 CB PHE A 57 68.859 -12.860 22.213 1.00 45.56 C +ATOM 484 CG PHE A 57 68.729 -11.437 21.765 1.00 45.56 C +ATOM 485 CD1 PHE A 57 67.876 -10.566 22.435 1.00 45.56 C +ATOM 486 CD2 PHE A 57 69.384 -10.983 20.631 1.00 45.56 C +ATOM 487 CE1 PHE A 57 67.675 -9.280 21.970 1.00 45.56 C +ATOM 488 CE2 PHE A 57 69.184 -9.690 20.162 1.00 45.56 C +ATOM 489 CZ PHE A 57 68.328 -8.841 20.828 1.00 45.56 C +ATOM 490 N GLU A 58 69.404 -15.093 24.107 1.00 38.47 N +ATOM 491 CA GLU A 58 69.624 -16.480 24.448 1.00 38.47 C +ATOM 492 C GLU A 58 68.666 -16.973 25.522 1.00 38.47 C +ATOM 493 O GLU A 58 67.849 -17.851 25.262 1.00 72.87 O +ATOM 494 CB GLU A 58 71.065 -16.661 24.892 1.00 72.87 C +ATOM 495 CG GLU A 58 72.042 -16.109 23.875 1.00 72.87 C +ATOM 496 CD GLU A 58 73.491 -16.207 24.317 1.00 72.87 C +ATOM 497 OE1 GLU A 58 73.780 -17.009 25.254 1.00 72.87 O +ATOM 498 OE2 GLU A 58 74.338 -15.486 23.715 1.00 72.87 O +ATOM 499 N GLU A 59 68.694 -16.358 26.700 1.00 33.82 N +ATOM 500 CA GLU A 59 67.819 -16.822 27.782 1.00 33.82 C +ATOM 501 C GLU A 59 66.368 -16.728 27.380 1.00 33.82 C +ATOM 502 O GLU A 59 65.541 -17.568 27.744 1.00117.55 O +ATOM 503 CB GLU A 59 68.087 -16.079 29.099 1.00117.55 C +ATOM 504 CG GLU A 59 67.856 -14.580 29.052 1.00117.55 C +ATOM 505 CD GLU A 59 69.047 -13.772 29.570 1.00117.55 C +ATOM 506 OE1 GLU A 59 70.211 -14.164 29.299 1.00117.55 O +ATOM 507 OE2 GLU A 59 68.814 -12.726 30.228 1.00117.55 O +ATOM 508 N ALA A 60 66.084 -15.730 26.565 1.00 35.45 N +ATOM 509 CA ALA A 60 64.730 -15.527 26.108 1.00 35.45 C +ATOM 510 C ALA A 60 64.427 -16.648 25.163 1.00 35.45 C +ATOM 511 O ALA A 60 63.320 -17.188 25.118 1.00 43.86 O +ATOM 512 CB ALA A 60 64.636 -14.218 25.387 1.00 43.86 C +ATOM 513 N LEU A 61 65.464 -16.988 24.421 1.00 33.68 N +ATOM 514 CA LEU A 61 65.407 -18.019 23.431 1.00 33.68 C +ATOM 515 C LEU A 61 65.207 -19.360 24.077 1.00 33.68 C +ATOM 516 O LEU A 61 64.311 -20.122 23.672 1.00 18.38 O +ATOM 517 CB LEU A 61 66.698 -18.030 22.653 1.00 18.38 C +ATOM 518 CG LEU A 61 66.497 -18.418 21.225 1.00 18.38 C +ATOM 519 CD1 LEU A 61 65.052 -18.476 20.918 1.00 18.38 C +ATOM 520 CD2 LEU A 61 67.190 -17.427 20.357 1.00 18.38 C +ATOM 521 N MET A 62 66.007 -19.640 25.105 1.00 46.79 N +ATOM 522 CA MET A 62 65.907 -20.928 25.774 1.00 46.79 C +ATOM 523 C MET A 62 64.803 -20.878 26.805 1.00 46.79 C +ATOM 524 O MET A 62 64.947 -21.281 27.959 1.00 88.49 O +ATOM 525 CB MET A 62 67.273 -21.394 26.313 1.00 88.49 C +ATOM 526 CG MET A 62 67.836 -20.638 27.492 1.00 88.49 C +ATOM 527 SD MET A 62 67.588 -21.612 28.980 1.00 88.49 S +ATOM 528 CE MET A 62 66.848 -20.386 30.104 1.00 88.49 C +ATOM 529 N ASP A 63 63.653 -20.446 26.314 1.00 44.55 N +ATOM 530 CA ASP A 63 62.460 -20.299 27.122 1.00 44.55 C +ATOM 531 C ASP A 63 61.294 -20.145 26.151 1.00 44.55 C +ATOM 532 O ASP A 63 60.122 -20.382 26.491 1.00 82.50 O +ATOM 533 CB ASP A 63 62.585 -19.044 27.964 1.00 82.50 C +ATOM 534 CG ASP A 63 61.760 -19.115 29.192 1.00 82.50 C +ATOM 535 OD1 ASP A 63 60.548 -19.403 29.083 1.00 82.50 O +ATOM 536 OD2 ASP A 63 62.338 -18.912 30.272 1.00 82.50 O +ATOM 537 N ASN A 64 61.643 -19.691 24.951 1.00 51.08 N +ATOM 538 CA ASN A 64 60.705 -19.496 23.858 1.00 51.08 C +ATOM 539 C ASN A 64 61.485 -19.443 22.537 1.00 51.08 C +ATOM 540 O ASN A 64 61.805 -18.378 22.014 1.00 74.50 O +ATOM 541 CB ASN A 64 59.879 -18.229 24.043 1.00 74.50 C +ATOM 542 CG ASN A 64 59.073 -17.888 22.803 1.00 74.50 C +ATOM 543 OD1 ASN A 64 58.887 -16.712 22.474 1.00 74.50 O +ATOM 544 ND2 ASN A 64 58.631 -18.921 22.076 1.00 74.50 N +ATOM 545 N PRO A 65 61.801 -20.618 21.991 1.00 36.93 N +ATOM 546 CA PRO A 65 62.530 -20.889 20.758 1.00 36.93 C +ATOM 547 C PRO A 65 61.994 -20.315 19.448 1.00 36.93 C +ATOM 548 O PRO A 65 62.767 -20.054 18.534 1.00 60.10 O +ATOM 549 CB PRO A 65 62.536 -22.410 20.721 1.00 60.10 C +ATOM 550 CG PRO A 65 61.293 -22.778 21.478 1.00 60.10 C +ATOM 551 CD PRO A 65 61.434 -21.885 22.643 1.00 60.10 C +ATOM 552 N SER A 66 60.689 -20.150 19.333 1.00 13.54 N +ATOM 553 CA SER A 66 60.089 -19.622 18.099 1.00 13.54 C +ATOM 554 C SER A 66 60.586 -18.231 17.636 1.00 13.54 C +ATOM 555 O SER A 66 60.396 -17.830 16.476 1.00 62.14 O +ATOM 556 CB SER A 66 58.583 -19.532 18.321 1.00 62.14 C +ATOM 557 OG SER A 66 58.304 -18.725 19.467 1.00 62.14 O +ATOM 558 N LEU A 67 61.178 -17.505 18.585 1.00 13.08 N +ATOM 559 CA LEU A 67 61.674 -16.159 18.392 1.00 13.08 C +ATOM 560 C LEU A 67 62.394 -15.813 17.150 1.00 13.08 C +ATOM 561 O LEU A 67 63.174 -16.609 16.662 1.00 18.53 O +ATOM 562 CB LEU A 67 62.568 -15.782 19.530 1.00 18.53 C +ATOM 563 CG LEU A 67 61.626 -15.334 20.606 1.00 18.53 C +ATOM 564 CD1 LEU A 67 62.381 -14.712 21.746 1.00 18.53 C +ATOM 565 CD2 LEU A 67 60.674 -14.320 19.970 1.00 18.53 C +ATOM 566 N ALA A 68 62.128 -14.623 16.620 1.00 6.69 N +ATOM 567 CA ALA A 68 62.835 -14.140 15.421 1.00 6.69 C +ATOM 568 C ALA A 68 63.501 -12.867 15.904 1.00 6.69 C +ATOM 569 O ALA A 68 63.028 -12.234 16.867 1.00 39.98 O +ATOM 570 CB ALA A 68 61.880 -13.845 14.294 1.00 39.98 C +ATOM 571 N PHE A 69 64.673 -12.567 15.374 1.00 17.16 N +ATOM 572 CA PHE A 69 65.342 -11.355 15.794 1.00 17.16 C +ATOM 573 C PHE A 69 65.630 -10.708 14.521 1.00 17.16 C +ATOM 574 O PHE A 69 66.591 -11.046 13.830 1.00 25.33 O +ATOM 575 CB PHE A 69 66.597 -11.653 16.515 1.00 25.33 C +ATOM 576 CG PHE A 69 66.361 -12.320 17.770 1.00 25.33 C +ATOM 577 CD1 PHE A 69 66.257 -13.688 17.819 1.00 25.33 C +ATOM 578 CD2 PHE A 69 66.220 -11.591 18.923 1.00 25.33 C +ATOM 579 CE1 PHE A 69 66.016 -14.324 19.019 1.00 25.33 C +ATOM 580 CE2 PHE A 69 65.980 -12.220 20.135 1.00 25.33 C +ATOM 581 CZ PHE A 69 65.879 -13.587 20.187 1.00 25.33 C +ATOM 582 N VAL A 70 64.733 -9.811 14.172 1.00 12.04 N +ATOM 583 CA VAL A 70 64.836 -9.139 12.924 1.00 12.04 C +ATOM 584 C VAL A 70 65.182 -7.704 13.146 1.00 12.04 C +ATOM 585 O VAL A 70 64.995 -7.172 14.242 1.00 17.01 O +ATOM 586 CB VAL A 70 63.513 -9.242 12.217 1.00 17.01 C +ATOM 587 CG1 VAL A 70 63.732 -9.295 10.746 1.00 17.01 C +ATOM 588 CG2 VAL A 70 62.786 -10.480 12.691 1.00 17.01 C +ATOM 589 N ARG A 71 65.836 -7.126 12.151 1.00 18.75 N +ATOM 590 CA ARG A 71 66.143 -5.732 12.232 1.00 18.75 C +ATOM 591 C ARG A 71 65.105 -4.971 11.427 1.00 18.75 C +ATOM 592 O ARG A 71 64.580 -5.448 10.415 1.00 51.53 O +ATOM 593 CB ARG A 71 67.573 -5.389 11.837 1.00 51.53 C +ATOM 594 CG ARG A 71 68.230 -6.120 10.678 1.00 51.53 C +ATOM 595 CD ARG A 71 69.729 -5.847 10.807 1.00 51.53 C +ATOM 596 NE ARG A 71 70.001 -5.518 12.223 1.00 51.53 N +ATOM 597 CZ ARG A 71 71.064 -5.893 12.939 1.00 51.53 C +ATOM 598 NH1 ARG A 71 72.037 -6.627 12.383 1.00 51.53 N +ATOM 599 NH2 ARG A 71 71.101 -5.610 14.246 1.00 51.53 N +ATOM 600 N PRO A 72 64.729 -3.797 11.947 1.00 13.45 N +ATOM 601 CA PRO A 72 63.756 -2.872 11.400 1.00 13.45 C +ATOM 602 C PRO A 72 63.650 -2.904 9.918 1.00 13.45 C +ATOM 603 O PRO A 72 62.547 -3.012 9.391 1.00 22.13 O +ATOM 604 CB PRO A 72 64.243 -1.530 11.915 1.00 22.13 C +ATOM 605 CG PRO A 72 65.612 -1.832 12.563 1.00 22.13 C +ATOM 606 CD PRO A 72 65.409 -3.180 13.095 1.00 22.13 C +ATOM 607 N ARG A 73 64.793 -2.922 9.247 1.00 6.10 N +ATOM 608 CA ARG A 73 64.795 -2.911 7.773 1.00 6.10 C +ATOM 609 C ARG A 73 63.722 -3.817 7.162 1.00 6.10 C +ATOM 610 O ARG A 73 63.088 -3.475 6.177 1.00 99.15 O +ATOM 611 CB ARG A 73 66.191 -3.233 7.235 1.00 99.15 C +ATOM 612 CG ARG A 73 66.371 -3.020 5.730 1.00 99.15 C +ATOM 613 CD ARG A 73 66.109 -1.574 5.273 1.00 99.15 C +ATOM 614 NE ARG A 73 66.902 -1.220 4.082 1.00 99.15 N +ATOM 615 CZ ARG A 73 66.867 -0.041 3.445 1.00 99.15 C +ATOM 616 NH1 ARG A 73 66.056 0.934 3.863 1.00 99.15 N +ATOM 617 NH2 ARG A 73 67.697 0.192 2.421 1.00 99.15 N +ATOM 618 N TRP A 74 63.428 -4.878 7.887 1.00 34.55 N +ATOM 619 CA TRP A 74 62.450 -5.846 7.481 1.00 34.55 C +ATOM 620 C TRP A 74 61.122 -5.159 7.403 1.00 34.55 C +ATOM 621 O TRP A 74 60.526 -5.050 6.331 1.00 8.84 O +ATOM 622 CB TRP A 74 62.384 -6.961 8.529 1.00 8.84 C +ATOM 623 CG TRP A 74 61.360 -8.033 8.254 1.00 8.84 C +ATOM 624 CD1 TRP A 74 61.019 -8.556 7.028 1.00 8.84 C +ATOM 625 CD2 TRP A 74 60.474 -8.629 9.201 1.00 8.84 C +ATOM 626 NE1 TRP A 74 59.956 -9.419 7.161 1.00 8.84 N +ATOM 627 CE2 TRP A 74 59.596 -9.479 8.479 1.00 8.84 C +ATOM 628 CE3 TRP A 74 60.331 -8.522 10.579 1.00 8.84 C +ATOM 629 CZ2 TRP A 74 58.591 -10.206 9.083 1.00 8.84 C +ATOM 630 CZ3 TRP A 74 59.330 -9.250 11.186 1.00 8.84 C +ATOM 631 CH2 TRP A 74 58.467 -10.083 10.434 1.00 8.84 C +ATOM 632 N ILE A 75 60.677 -4.676 8.559 1.00 16.87 N +ATOM 633 CA ILE A 75 59.405 -4.007 8.689 1.00 16.87 C +ATOM 634 C ILE A 75 59.179 -2.929 7.648 1.00 16.87 C +ATOM 635 O ILE A 75 58.057 -2.757 7.173 1.00 11.07 O +ATOM 636 CB ILE A 75 59.254 -3.502 10.062 1.00 11.07 C +ATOM 637 CG1 ILE A 75 58.808 -4.665 10.933 1.00 11.07 C +ATOM 638 CG2 ILE A 75 58.219 -2.476 10.106 1.00 11.07 C +ATOM 639 CD1 ILE A 75 59.376 -4.638 12.359 1.00 11.07 C +ATOM 640 N TYR A 76 60.261 -2.255 7.254 1.00 11.09 N +ATOM 641 CA TYR A 76 60.209 -1.232 6.223 1.00 11.09 C +ATOM 642 C TYR A 76 59.958 -1.929 4.915 1.00 11.09 C +ATOM 643 O TYR A 76 58.809 -2.051 4.494 1.00 32.39 O +ATOM 644 CB TYR A 76 61.495 -0.449 6.202 1.00 32.39 C +ATOM 645 CG TYR A 76 61.684 0.238 7.518 1.00 32.39 C +ATOM 646 CD1 TYR A 76 60.587 0.499 8.341 1.00 32.39 C +ATOM 647 CD2 TYR A 76 62.939 0.617 7.963 1.00 32.39 C +ATOM 648 CE1 TYR A 76 60.741 1.119 9.578 1.00 32.39 C +ATOM 649 CE2 TYR A 76 63.109 1.245 9.202 1.00 32.39 C +ATOM 650 CZ TYR A 76 62.006 1.488 10.003 1.00 32.39 C +ATOM 651 OH TYR A 76 62.164 2.078 11.239 1.00 32.39 O +ATOM 652 N SER A 77 61.010 -2.498 4.340 1.00 27.00 N +ATOM 653 CA SER A 77 60.930 -3.233 3.054 1.00 27.00 C +ATOM 654 C SER A 77 59.644 -4.037 2.888 1.00 27.00 C +ATOM 655 O SER A 77 59.127 -4.207 1.782 1.00 33.16 O +ATOM 656 CB SER A 77 62.137 -4.161 2.916 1.00 33.16 C +ATOM 657 OG SER A 77 62.496 -4.624 4.208 1.00 33.16 O +ATOM 658 N CYS A 78 59.137 -4.516 4.015 1.00 31.16 N +ATOM 659 CA CYS A 78 57.904 -5.273 4.042 1.00 31.16 C +ATOM 660 C CYS A 78 56.828 -4.360 3.450 1.00 31.16 C +ATOM 661 O CYS A 78 56.183 -4.680 2.434 1.00 39.08 O +ATOM 662 CB CYS A 78 57.575 -5.611 5.487 1.00 39.08 C +ATOM 663 SG CYS A 78 57.507 -7.338 5.777 1.00 39.08 S +ATOM 664 N ASN A 79 56.687 -3.197 4.077 1.00 46.74 N +ATOM 665 CA ASN A 79 55.744 -2.189 3.633 1.00 46.74 C +ATOM 666 C ASN A 79 56.135 -1.697 2.227 1.00 46.74 C +ATOM 667 O ASN A 79 55.317 -1.655 1.290 1.00 50.50 O +ATOM 668 CB ASN A 79 55.754 -1.037 4.642 1.00 50.50 C +ATOM 669 CG ASN A 79 55.463 0.294 4.009 1.00 50.50 C +ATOM 670 OD1 ASN A 79 56.338 1.161 3.983 1.00 50.50 O +ATOM 671 ND2 ASN A 79 54.246 0.468 3.474 1.00 50.50 N +ATOM 672 N GLU A 80 57.416 -1.367 2.105 1.00 20.61 N +ATOM 673 CA GLU A 80 58.013 -0.872 0.880 1.00 20.61 C +ATOM 674 C GLU A 80 57.748 -1.769 -0.361 1.00 20.61 C +ATOM 675 O GLU A 80 58.117 -1.415 -1.484 1.00 79.08 O +ATOM 676 CB GLU A 80 59.491 -0.694 1.156 1.00 79.08 C +ATOM 677 CG GLU A 80 60.026 0.601 0.709 1.00 79.08 C +ATOM 678 CD GLU A 80 60.983 0.398 -0.426 1.00 79.08 C +ATOM 679 OE1 GLU A 80 60.525 0.279 -1.589 1.00 79.08 O +ATOM 680 OE2 GLU A 80 62.199 0.308 -0.144 1.00 79.08 O +ATOM 681 N LYS A 81 57.048 -2.892 -0.145 1.00 41.61 N +ATOM 682 CA LYS A 81 56.704 -3.872 -1.189 1.00 41.61 C +ATOM 683 C LYS A 81 55.268 -4.294 -1.049 1.00 41.61 C +ATOM 684 O LYS A 81 54.717 -4.972 -1.927 1.00 91.25 O +ATOM 685 CB LYS A 81 57.504 -5.160 -1.012 1.00 91.25 C +ATOM 686 CG LYS A 81 58.712 -5.300 -1.871 1.00 91.25 C +ATOM 687 CD LYS A 81 59.714 -4.223 -1.542 1.00 91.25 C +ATOM 688 CE LYS A 81 61.144 -4.703 -1.764 1.00 91.25 C +ATOM 689 NZ LYS A 81 61.391 -5.246 -3.139 1.00 91.25 N +ATOM 690 N GLN A 82 54.707 -3.989 0.117 1.00 53.09 N +ATOM 691 CA GLN A 82 53.336 -4.365 0.441 1.00 53.09 C +ATOM 692 C GLN A 82 53.276 -5.887 0.340 1.00 53.09 C +ATOM 693 O GLN A 82 52.591 -6.447 -0.523 1.00 88.02 O +ATOM 694 CB GLN A 82 52.315 -3.707 -0.515 1.00 88.02 C +ATOM 695 CG GLN A 82 52.241 -2.170 -0.454 1.00 88.02 C +ATOM 696 CD GLN A 82 51.596 -1.638 0.820 1.00 88.02 C +ATOM 697 OE1 GLN A 82 52.249 -0.989 1.640 1.00 88.02 O +ATOM 698 NE2 GLN A 82 50.301 -1.883 0.972 1.00 88.02 N +ATOM 699 N LYS A 83 54.147 -6.524 1.117 1.00 41.59 N +ATOM 700 CA LYS A 83 54.220 -7.980 1.202 1.00 41.59 C +ATOM 701 C LYS A 83 55.036 -8.503 2.404 1.00 41.59 C +ATOM 702 O LYS A 83 55.974 -7.838 2.873 1.00 70.56 O +ATOM 703 CB LYS A 83 54.734 -8.618 -0.094 1.00 70.56 C +ATOM 704 CG LYS A 83 54.521 -10.139 -0.047 1.00 70.56 C +ATOM 705 CD LYS A 83 53.119 -10.474 0.591 1.00 70.56 C +ATOM 706 CE LYS A 83 53.103 -11.747 1.478 1.00 70.56 C +ATOM 707 NZ LYS A 83 51.872 -11.882 2.349 1.00 70.56 N +ATOM 708 N LEU A 84 54.626 -9.659 2.941 1.00 34.19 N +ATOM 709 CA LEU A 84 55.333 -10.276 4.055 1.00 34.19 C +ATOM 710 C LEU A 84 56.630 -10.854 3.514 1.00 34.19 C +ATOM 711 O LEU A 84 56.627 -11.760 2.680 1.00 32.28 O +ATOM 712 CB LEU A 84 54.522 -11.390 4.685 1.00 32.28 C +ATOM 713 CG LEU A 84 54.865 -11.457 6.162 1.00 32.28 C +ATOM 714 CD1 LEU A 84 54.024 -12.490 6.845 1.00 32.28 C +ATOM 715 CD2 LEU A 84 56.303 -11.760 6.367 1.00 32.28 C +ATOM 716 N LEU A 85 57.740 -10.282 3.955 1.00 16.12 N +ATOM 717 CA LEU A 85 59.044 -10.738 3.537 1.00 16.12 C +ATOM 718 C LEU A 85 59.626 -11.632 4.594 1.00 16.12 C +ATOM 719 O LEU A 85 59.418 -11.450 5.788 1.00 30.86 O +ATOM 720 CB LEU A 85 59.967 -9.561 3.278 1.00 30.86 C +ATOM 721 CG LEU A 85 59.595 -8.755 2.033 1.00 30.86 C +ATOM 722 CD1 LEU A 85 60.802 -7.924 1.621 1.00 30.86 C +ATOM 723 CD2 LEU A 85 59.175 -9.670 0.892 1.00 30.86 C +ATOM 724 N PRO A 86 60.386 -12.621 4.162 1.00 41.19 N +ATOM 725 CA PRO A 86 60.986 -13.541 5.126 1.00 41.19 C +ATOM 726 C PRO A 86 61.941 -12.755 5.990 1.00 41.19 C +ATOM 727 O PRO A 86 62.875 -12.120 5.502 1.00 9.49 O +ATOM 728 CB PRO A 86 61.733 -14.518 4.243 1.00 9.49 C +ATOM 729 CG PRO A 86 61.157 -14.262 2.800 1.00 9.49 C +ATOM 730 CD PRO A 86 60.918 -12.813 2.805 1.00 9.49 C +ATOM 731 N HIS A 87 61.677 -12.748 7.281 1.00 10.09 N +ATOM 732 CA HIS A 87 62.543 -12.012 8.172 1.00 10.09 C +ATOM 733 C HIS A 87 63.949 -12.516 8.068 1.00 10.09 C +ATOM 734 O HIS A 87 64.886 -11.811 8.414 1.00 28.44 O +ATOM 735 CB HIS A 87 62.111 -12.188 9.591 1.00 28.44 C +ATOM 736 CG HIS A 87 61.899 -13.603 9.947 1.00 28.44 C +ATOM 737 ND1 HIS A 87 61.177 -14.451 9.141 1.00 28.44 N +ATOM 738 CD2 HIS A 87 62.228 -14.308 11.048 1.00 28.44 C +ATOM 739 CE1 HIS A 87 61.052 -15.620 9.742 1.00 28.44 C +ATOM 740 NE2 HIS A 87 61.680 -15.558 10.902 1.00 28.44 N +ATOM 741 N GLN A 88 64.111 -13.747 7.627 1.00 47.30 N +ATOM 742 CA GLN A 88 65.439 -14.277 7.505 1.00 47.30 C +ATOM 743 C GLN A 88 66.417 -13.367 6.802 1.00 47.30 C +ATOM 744 O GLN A 88 67.532 -13.199 7.282 1.00 33.04 O +ATOM 745 CB GLN A 88 65.375 -15.606 6.822 1.00 33.04 C +ATOM 746 CG GLN A 88 64.614 -16.580 7.654 1.00 33.04 C +ATOM 747 CD GLN A 88 63.330 -16.949 7.030 1.00 33.04 C +ATOM 748 OE1 GLN A 88 63.141 -16.770 5.846 1.00 33.04 O +ATOM 749 NE2 GLN A 88 62.438 -17.501 7.814 1.00 33.04 N +ATOM 750 N LEU A 89 65.977 -12.705 5.732 1.00 17.17 N +ATOM 751 CA LEU A 89 66.873 -11.825 4.996 1.00 17.17 C +ATOM 752 C LEU A 89 67.337 -10.688 5.864 1.00 17.17 C +ATOM 753 O LEU A 89 68.442 -10.170 5.699 1.00 29.83 O +ATOM 754 CB LEU A 89 66.215 -11.276 3.749 1.00 29.83 C +ATOM 755 CG LEU A 89 65.708 -12.392 2.850 1.00 29.83 C +ATOM 756 CD1 LEU A 89 64.228 -12.271 2.726 1.00 29.83 C +ATOM 757 CD2 LEU A 89 66.338 -12.347 1.490 1.00 29.83 C +ATOM 758 N TYR A 90 66.539 -10.370 6.872 1.00 13.34 N +ATOM 759 CA TYR A 90 66.838 -9.250 7.760 1.00 13.34 C +ATOM 760 C TYR A 90 67.093 -9.766 9.151 1.00 13.34 C +ATOM 761 O TYR A 90 66.608 -9.216 10.145 1.00 22.67 O +ATOM 762 CB TYR A 90 65.627 -8.315 7.765 1.00 22.67 C +ATOM 763 CG TYR A 90 65.153 -7.971 6.371 1.00 22.67 C +ATOM 764 CD1 TYR A 90 65.774 -6.963 5.628 1.00 22.67 C +ATOM 765 CD2 TYR A 90 64.169 -8.727 5.751 1.00 22.67 C +ATOM 766 CE1 TYR A 90 65.440 -6.721 4.287 1.00 22.67 C +ATOM 767 CE2 TYR A 90 63.820 -8.498 4.401 1.00 22.67 C +ATOM 768 CZ TYR A 90 64.465 -7.496 3.666 1.00 22.67 C +ATOM 769 OH TYR A 90 64.171 -7.324 2.305 1.00 22.67 O +ATOM 770 N GLY A 91 67.909 -10.794 9.253 1.00 2.00 N +ATOM 771 CA GLY A 91 68.093 -11.364 10.575 1.00 2.00 C +ATOM 772 C GLY A 91 69.174 -10.812 11.448 1.00 2.00 C +ATOM 773 O GLY A 91 70.080 -10.113 11.004 1.00 36.21 O +ATOM 774 N VAL A 92 69.105 -11.201 12.702 1.00 11.55 N +ATOM 775 CA VAL A 92 70.074 -10.780 13.687 1.00 11.55 C +ATOM 776 C VAL A 92 70.583 -12.047 14.391 1.00 11.55 C +ATOM 777 O VAL A 92 69.831 -12.709 15.115 1.00 22.51 O +ATOM 778 CB VAL A 92 69.414 -9.870 14.710 1.00 22.51 C +ATOM 779 CG1 VAL A 92 70.312 -9.646 15.878 1.00 22.51 C +ATOM 780 CG2 VAL A 92 69.050 -8.583 14.068 1.00 22.51 C +ATOM 781 N VAL A 93 71.851 -12.396 14.160 1.00 49.60 N +ATOM 782 CA VAL A 93 72.458 -13.578 14.772 1.00 49.60 C +ATOM 783 C VAL A 93 73.636 -13.133 15.582 1.00 49.60 C +ATOM 784 O VAL A 93 74.227 -12.098 15.281 1.00 45.74 O +ATOM 785 CB VAL A 93 72.983 -14.492 13.714 1.00 45.74 C +ATOM 786 CG1 VAL A 93 71.833 -15.042 12.921 1.00 45.74 C +ATOM 787 CG2 VAL A 93 73.901 -13.723 12.799 1.00 45.74 C +ATOM 788 N PRO A 94 73.972 -13.863 16.658 1.00 33.95 N +ATOM 789 CA PRO A 94 75.140 -13.380 17.396 1.00 33.95 C +ATOM 790 C PRO A 94 76.218 -13.636 16.385 1.00 33.95 C +ATOM 791 O PRO A 94 76.069 -14.562 15.571 1.00 37.05 O +ATOM 792 CB PRO A 94 75.241 -14.352 18.566 1.00 37.05 C +ATOM 793 CG PRO A 94 74.741 -15.604 17.997 1.00 37.05 C +ATOM 794 CD PRO A 94 73.557 -15.188 17.142 1.00 37.05 C +ATOM 795 N GLN A 95 77.167 -12.718 16.255 1.00 71.81 N +ATOM 796 CA GLN A 95 78.211 -12.988 15.290 1.00 71.81 C +ATOM 797 C GLN A 95 79.254 -13.799 16.043 1.00 71.81 C +ATOM 798 O GLN A 95 79.879 -13.312 16.990 1.00133.96 O +ATOM 799 CB GLN A 95 78.804 -11.725 14.667 1.00133.96 C +ATOM 800 CG GLN A 95 79.549 -12.052 13.357 1.00133.96 C +ATOM 801 CD GLN A 95 80.228 -10.852 12.688 1.00133.96 C +ATOM 802 OE1 GLN A 95 80.099 -9.707 13.138 1.00133.96 O +ATOM 803 NE2 GLN A 95 80.956 -11.119 11.598 1.00133.96 N +ATOM 804 N ALA A 96 79.306 -15.082 15.691 1.00115.55 N +ATOM 805 CA ALA A 96 80.214 -16.072 16.274 1.00115.55 C +ATOM 806 C ALA A 96 79.855 -17.487 15.764 1.00115.55 C +ATOM 807 O ALA A 96 79.089 -17.634 14.766 1.00 96.85 O +ATOM 808 CB ALA A 96 80.152 -16.032 17.818 1.00 96.85 C Added: SwiftApps/modFTdock/input/indata/1cr8-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1cr8-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1cr8-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,594 @@ +ATOM 1 N PRO A 3 3.414 1.811 -5.541 1.00 0.00 N +ATOM 2 CA PRO A 3 3.758 1.274 -6.859 1.00 0.00 C +ATOM 3 C PRO A 3 2.989 -0.030 -7.144 1.00 0.00 C +ATOM 4 O PRO A 3 3.550 -1.123 -7.129 1.00 0.00 O +ATOM 5 CB PRO A 3 5.282 1.102 -6.840 1.00 0.00 C +ATOM 6 CG PRO A 3 5.562 0.761 -5.379 1.00 0.00 C +ATOM 7 CD PRO A 3 4.540 1.616 -4.629 1.00 0.00 C +ATOM 8 HA PRO A 3 3.504 1.996 -7.637 1.00 0.00 H +ATOM 9 HB2 PRO A 3 5.632 0.324 -7.520 1.00 0.00 H +ATOM 10 HB3 PRO A 3 5.756 2.053 -7.086 1.00 0.00 H +ATOM 11 HG2 PRO A 3 5.361 -0.296 -5.200 1.00 0.00 H +ATOM 12 HG3 PRO A 3 6.584 1.011 -5.094 1.00 0.00 H +ATOM 13 HD2 PRO A 3 4.247 1.097 -3.718 1.00 0.00 H +ATOM 14 HD3 PRO A 3 4.985 2.581 -4.388 1.00 0.00 H +ATOM 15 N GLY A 4 1.690 0.090 -7.439 1.00 0.00 N +ATOM 16 CA GLY A 4 0.755 -1.011 -7.711 1.00 0.00 C +ATOM 17 C GLY A 4 0.982 -1.769 -9.030 1.00 0.00 C +ATOM 18 O GLY A 4 0.013 -2.182 -9.663 1.00 0.00 O +ATOM 19 H GLY A 4 1.311 1.027 -7.333 1.00 0.00 H +ATOM 20 HA2 GLY A 4 0.817 -1.732 -6.895 1.00 0.00 H +ATOM 21 HA3 GLY A 4 -0.259 -0.611 -7.723 1.00 0.00 H +ATOM 22 N GLY A 5 2.237 -1.933 -9.459 1.00 0.00 N +ATOM 23 CA GLY A 5 2.651 -2.581 -10.702 1.00 0.00 C +ATOM 24 C GLY A 5 3.968 -2.014 -11.248 1.00 0.00 C +ATOM 25 O GLY A 5 4.506 -1.040 -10.724 1.00 0.00 O +ATOM 26 H GLY A 5 2.972 -1.599 -8.839 1.00 0.00 H +ATOM 27 HA2 GLY A 5 2.777 -3.648 -10.517 1.00 0.00 H +ATOM 28 HA3 GLY A 5 1.877 -2.447 -11.458 1.00 0.00 H +ATOM 29 N CYS A 6 4.473 -2.632 -12.321 1.00 0.00 N +ATOM 30 CA CYS A 6 5.760 -2.324 -12.945 1.00 0.00 C +ATOM 31 C CYS A 6 5.588 -1.748 -14.368 1.00 0.00 C +ATOM 32 O CYS A 6 5.799 -0.562 -14.610 1.00 0.00 O +ATOM 33 CB CYS A 6 6.571 -3.629 -12.949 1.00 0.00 C +ATOM 34 SG CYS A 6 7.081 -4.252 -11.329 1.00 0.00 S +ATOM 35 H CYS A 6 4.011 -3.472 -12.632 1.00 0.00 H +ATOM 36 HA CYS A 6 6.301 -1.586 -12.350 1.00 0.00 H +ATOM 37 HB2 CYS A 6 5.979 -4.414 -13.420 1.00 0.00 H +ATOM 38 HB3 CYS A 6 7.464 -3.485 -13.552 1.00 0.00 H +ATOM 39 N HIS A 7 5.223 -2.623 -15.305 1.00 0.00 N +ATOM 40 CA HIS A 7 4.868 -2.521 -16.725 1.00 0.00 C +ATOM 41 C HIS A 7 3.865 -3.673 -16.993 1.00 0.00 C +ATOM 42 O HIS A 7 3.641 -4.390 -16.014 1.00 0.00 O +ATOM 43 CB HIS A 7 6.152 -2.758 -17.545 1.00 0.00 C +ATOM 44 CG HIS A 7 6.990 -1.532 -17.817 1.00 0.00 C +ATOM 45 ND1 HIS A 7 7.125 -0.430 -17.004 1.00 0.00 N +ATOM 46 CD2 HIS A 7 7.788 -1.335 -18.912 1.00 0.00 C +ATOM 47 CE1 HIS A 7 7.985 0.414 -17.598 1.00 0.00 C +ATOM 48 NE2 HIS A 7 8.413 -0.094 -18.764 1.00 0.00 N +ATOM 49 H HIS A 7 5.037 -3.572 -15.010 1.00 0.00 H +ATOM 50 HA HIS A 7 4.412 -1.560 -16.963 1.00 0.00 H +ATOM 51 HB2 HIS A 7 6.774 -3.497 -17.034 1.00 0.00 H +ATOM 52 HB3 HIS A 7 5.878 -3.198 -18.500 1.00 0.00 H +ATOM 53 HD1 HIS A 7 6.661 -0.298 -16.102 1.00 0.00 H +ATOM 54 HD2 HIS A 7 7.919 -2.022 -19.736 1.00 0.00 H +ATOM 55 HE1 HIS A 7 8.298 1.368 -17.195 1.00 0.00 H +ATOM 56 N THR A 8 3.391 -3.838 -18.242 1.00 0.00 N +ATOM 57 CA THR A 8 2.168 -4.575 -18.612 1.00 0.00 C +ATOM 58 C THR A 8 2.069 -5.911 -17.914 1.00 0.00 C +ATOM 59 O THR A 8 2.744 -6.859 -18.284 1.00 0.00 O +ATOM 60 CB THR A 8 1.966 -4.734 -20.133 1.00 0.00 C +ATOM 61 OG1 THR A 8 0.681 -5.276 -20.400 1.00 0.00 O +ATOM 62 CG2 THR A 8 3.026 -5.528 -20.909 1.00 0.00 C +ATOM 63 H THR A 8 3.832 -3.293 -18.967 1.00 0.00 H +ATOM 64 HA THR A 8 1.325 -3.975 -18.272 1.00 0.00 H +ATOM 65 HB THR A 8 1.974 -3.726 -20.549 1.00 0.00 H +ATOM 66 HG1 THR A 8 0.531 -6.174 -19.951 1.00 0.00 H +ATOM 67 HG21 THR A 8 4.028 -5.209 -20.619 1.00 0.00 H +ATOM 68 HG22 THR A 8 2.931 -6.596 -20.712 1.00 0.00 H +ATOM 69 HG23 THR A 8 2.890 -5.363 -21.976 1.00 0.00 H +ATOM 70 N ASP A 9 1.207 -5.988 -16.896 1.00 0.00 N +ATOM 71 CA ASP A 9 0.960 -7.228 -16.170 1.00 0.00 C +ATOM 72 C ASP A 9 2.240 -7.901 -15.608 1.00 0.00 C +ATOM 73 O ASP A 9 2.151 -9.019 -15.125 1.00 0.00 O +ATOM 74 CB ASP A 9 -0.015 -8.135 -16.977 1.00 0.00 C +ATOM 75 CG ASP A 9 0.278 -8.374 -18.478 1.00 0.00 C +ATOM 76 OD1 ASP A 9 0.088 -7.421 -19.285 1.00 0.00 O +ATOM 77 OD2 ASP A 9 0.599 -9.534 -18.825 1.00 0.00 O +ATOM 78 H ASP A 9 0.679 -5.170 -16.646 1.00 0.00 H +ATOM 79 HA ASP A 9 0.408 -6.951 -15.273 1.00 0.00 H +ATOM 80 HB2 ASP A 9 -0.101 -9.098 -16.471 1.00 0.00 H +ATOM 81 HB3 ASP A 9 -1.003 -7.674 -16.918 1.00 0.00 H +ATOM 82 N GLU A 10 3.401 -7.218 -15.581 1.00 0.00 N +ATOM 83 CA GLU A 10 4.709 -7.698 -15.058 1.00 0.00 C +ATOM 84 C GLU A 10 4.674 -7.962 -13.537 1.00 0.00 C +ATOM 85 O GLU A 10 3.800 -7.473 -12.817 1.00 0.00 O +ATOM 86 CB GLU A 10 5.835 -6.677 -15.336 1.00 0.00 C +ATOM 87 CG GLU A 10 6.629 -6.875 -16.629 1.00 0.00 C +ATOM 88 CD GLU A 10 5.793 -7.237 -17.864 1.00 0.00 C +ATOM 89 OE1 GLU A 10 5.420 -8.424 -18.082 1.00 0.00 O +ATOM 90 OE2 GLU A 10 5.601 -6.272 -18.641 1.00 0.00 O +ATOM 91 H GLU A 10 3.366 -6.247 -15.842 1.00 0.00 H +ATOM 92 HA GLU A 10 4.998 -8.622 -15.574 1.00 0.00 H +ATOM 93 HB2 GLU A 10 5.453 -5.666 -15.314 1.00 0.00 H +ATOM 94 HB3 GLU A 10 6.570 -6.717 -14.530 1.00 0.00 H +ATOM 95 HG2 GLU A 10 7.169 -5.945 -16.820 1.00 0.00 H +ATOM 96 HG3 GLU A 10 7.405 -7.606 -16.461 1.00 0.00 H +ATOM 97 N PHE A 11 5.675 -8.692 -13.020 1.00 0.00 N +ATOM 98 CA PHE A 11 5.626 -9.249 -11.677 1.00 0.00 C +ATOM 99 C PHE A 11 6.615 -8.575 -10.725 1.00 0.00 C +ATOM 100 O PHE A 11 7.768 -8.330 -11.058 1.00 0.00 O +ATOM 101 CB PHE A 11 6.008 -10.713 -11.749 1.00 0.00 C +ATOM 102 CG PHE A 11 5.876 -11.449 -10.429 1.00 0.00 C +ATOM 103 CD1 PHE A 11 4.622 -11.561 -9.794 1.00 0.00 C +ATOM 104 CD2 PHE A 11 6.993 -12.112 -9.891 1.00 0.00 C +ATOM 105 CE1 PHE A 11 4.481 -12.364 -8.648 1.00 0.00 C +ATOM 106 CE2 PHE A 11 6.848 -12.915 -8.752 1.00 0.00 C +ATOM 107 CZ PHE A 11 5.591 -13.063 -8.144 1.00 0.00 C +ATOM 108 H PHE A 11 6.395 -9.004 -13.647 1.00 0.00 H +ATOM 109 HA PHE A 11 4.592 -9.196 -11.328 1.00 0.00 H +ATOM 110 HB2 PHE A 11 5.414 -11.205 -12.511 1.00 0.00 H +ATOM 111 HB3 PHE A 11 7.032 -10.770 -12.090 1.00 0.00 H +ATOM 112 HD1 PHE A 11 3.753 -11.072 -10.210 1.00 0.00 H +ATOM 113 HD2 PHE A 11 7.959 -12.052 -10.371 1.00 0.00 H +ATOM 114 HE1 PHE A 11 3.508 -12.482 -8.192 1.00 0.00 H +ATOM 115 HE2 PHE A 11 7.710 -13.450 -8.389 1.00 0.00 H +ATOM 116 HZ PHE A 11 5.473 -13.752 -7.324 1.00 0.00 H +ATOM 117 N GLN A 12 6.257 -8.337 -9.454 1.00 0.00 N +ATOM 118 CA GLN A 12 7.206 -7.735 -8.497 1.00 0.00 C +ATOM 119 C GLN A 12 7.503 -8.629 -7.291 1.00 0.00 C +ATOM 120 O GLN A 12 6.591 -9.121 -6.622 1.00 0.00 O +ATOM 121 CB GLN A 12 6.737 -6.329 -8.093 1.00 0.00 C +ATOM 122 CG GLN A 12 7.741 -5.654 -7.143 1.00 0.00 C +ATOM 123 CD GLN A 12 7.489 -4.159 -6.992 1.00 0.00 C +ATOM 124 OE1 GLN A 12 6.397 -3.721 -6.669 1.00 0.00 O +ATOM 125 NE2 GLN A 12 8.496 -3.331 -7.192 1.00 0.00 N +ATOM 126 H GLN A 12 5.327 -8.568 -9.139 1.00 0.00 H +ATOM 127 HA GLN A 12 8.165 -7.620 -9.006 1.00 0.00 H +ATOM 128 HB2 GLN A 12 6.649 -5.727 -8.994 1.00 0.00 H +ATOM 129 HB3 GLN A 12 5.754 -6.377 -7.623 1.00 0.00 H +ATOM 130 HG2 GLN A 12 7.680 -6.114 -6.157 1.00 0.00 H +ATOM 131 HG3 GLN A 12 8.748 -5.801 -7.530 1.00 0.00 H +ATOM 132 HE21 GLN A 12 9.436 -3.674 -7.413 1.00 0.00 H +ATOM 133 HE22 GLN A 12 8.275 -2.357 -7.096 1.00 0.00 H +ATOM 134 N CYS A 13 8.797 -8.821 -7.007 1.00 0.00 N +ATOM 135 CA CYS A 13 9.296 -9.763 -6.002 1.00 0.00 C +ATOM 136 C CYS A 13 9.614 -9.132 -4.647 1.00 0.00 C +ATOM 137 O CYS A 13 10.504 -8.295 -4.529 1.00 0.00 O +ATOM 138 CB CYS A 13 10.501 -10.512 -6.564 1.00 0.00 C +ATOM 139 SG CYS A 13 9.937 -12.130 -7.136 1.00 0.00 S +ATOM 140 H CYS A 13 9.469 -8.342 -7.605 1.00 0.00 H +ATOM 141 HA CYS A 13 8.513 -10.501 -5.822 1.00 0.00 H +ATOM 142 HB2 CYS A 13 10.968 -9.929 -7.356 1.00 0.00 H +ATOM 143 HB3 CYS A 13 11.262 -10.650 -5.795 1.00 0.00 H +ATOM 144 N ARG A 14 8.913 -9.583 -3.598 1.00 0.00 N +ATOM 145 CA ARG A 14 8.914 -8.962 -2.267 1.00 0.00 C +ATOM 146 C ARG A 14 10.177 -9.265 -1.452 1.00 0.00 C +ATOM 147 O ARG A 14 10.339 -8.706 -0.373 1.00 0.00 O +ATOM 148 CB ARG A 14 7.641 -9.354 -1.488 1.00 0.00 C +ATOM 149 CG ARG A 14 6.352 -8.678 -2.000 1.00 0.00 C +ATOM 150 CD ARG A 14 5.774 -9.239 -3.309 1.00 0.00 C +ATOM 151 NE ARG A 14 5.430 -10.667 -3.180 1.00 0.00 N +ATOM 152 CZ ARG A 14 5.414 -11.597 -4.128 1.00 0.00 C +ATOM 153 NH1 ARG A 14 5.706 -11.343 -5.381 1.00 0.00 N +ATOM 154 NH2 ARG A 14 5.105 -12.833 -3.815 1.00 0.00 N +ATOM 155 H ARG A 14 8.357 -10.417 -3.721 1.00 0.00 H +ATOM 156 HA ARG A 14 8.915 -7.876 -2.386 1.00 0.00 H +ATOM 157 HB2 ARG A 14 7.529 -10.439 -1.479 1.00 0.00 H +ATOM 158 HB3 ARG A 14 7.767 -9.036 -0.452 1.00 0.00 H +ATOM 159 HG2 ARG A 14 5.588 -8.781 -1.227 1.00 0.00 H +ATOM 160 HG3 ARG A 14 6.540 -7.611 -2.129 1.00 0.00 H +ATOM 161 HD2 ARG A 14 4.871 -8.678 -3.556 1.00 0.00 H +ATOM 162 HD3 ARG A 14 6.489 -9.080 -4.114 1.00 0.00 H +ATOM 163 HE ARG A 14 5.159 -10.969 -2.259 1.00 0.00 H +ATOM 164 HH11 ARG A 14 5.936 -10.390 -5.680 1.00 0.00 H +ATOM 165 HH12 ARG A 14 5.669 -12.046 -6.093 1.00 0.00 H +ATOM 166 HH21 ARG A 14 4.880 -13.080 -2.867 1.00 0.00 H +ATOM 167 HH22 ARG A 14 5.127 -13.548 -4.517 1.00 0.00 H +ATOM 168 N LEU A 15 11.083 -10.102 -1.974 1.00 0.00 N +ATOM 169 CA LEU A 15 12.412 -10.297 -1.396 1.00 0.00 C +ATOM 170 C LEU A 15 13.265 -9.013 -1.497 1.00 0.00 C +ATOM 171 O LEU A 15 14.121 -8.761 -0.654 1.00 0.00 O +ATOM 172 CB LEU A 15 13.140 -11.457 -2.120 1.00 0.00 C +ATOM 173 CG LEU A 15 13.994 -12.392 -1.230 1.00 0.00 C +ATOM 174 CD1 LEU A 15 14.977 -13.179 -2.101 1.00 0.00 C +ATOM 175 CD2 LEU A 15 14.834 -11.719 -0.141 1.00 0.00 C +ATOM 176 H LEU A 15 10.870 -10.534 -2.858 1.00 0.00 H +ATOM 177 HA LEU A 15 12.253 -10.550 -0.352 1.00 0.00 H +ATOM 178 HB2 LEU A 15 12.406 -12.088 -2.622 1.00 0.00 H +ATOM 179 HB3 LEU A 15 13.772 -11.033 -2.903 1.00 0.00 H +ATOM 180 HG LEU A 15 13.321 -13.099 -0.744 1.00 0.00 H +ATOM 181 HD11 LEU A 15 14.460 -13.618 -2.947 1.00 0.00 H +ATOM 182 HD12 LEU A 15 15.756 -12.518 -2.481 1.00 0.00 H +ATOM 183 HD13 LEU A 15 15.440 -13.976 -1.520 1.00 0.00 H +ATOM 184 HD21 LEU A 15 15.514 -10.992 -0.588 1.00 0.00 H +ATOM 185 HD22 LEU A 15 14.191 -11.216 0.579 1.00 0.00 H +ATOM 186 HD23 LEU A 15 15.417 -12.471 0.391 1.00 0.00 H +ATOM 187 N ASP A 16 13.061 -8.243 -2.574 1.00 0.00 N +ATOM 188 CA ASP A 16 14.078 -7.343 -3.131 1.00 0.00 C +ATOM 189 C ASP A 16 13.467 -6.117 -3.841 1.00 0.00 C +ATOM 190 O ASP A 16 13.933 -4.999 -3.635 1.00 0.00 O +ATOM 191 CB ASP A 16 14.994 -8.204 -4.034 1.00 0.00 C +ATOM 192 CG ASP A 16 15.284 -7.625 -5.415 1.00 0.00 C +ATOM 193 OD1 ASP A 16 14.374 -7.761 -6.265 1.00 0.00 O +ATOM 194 OD2 ASP A 16 16.396 -7.093 -5.613 1.00 0.00 O +ATOM 195 H ASP A 16 12.281 -8.491 -3.165 1.00 0.00 H +ATOM 196 HA ASP A 16 14.690 -6.950 -2.317 1.00 0.00 H +ATOM 197 HB2 ASP A 16 15.930 -8.385 -3.505 1.00 0.00 H +ATOM 198 HB3 ASP A 16 14.535 -9.181 -4.202 1.00 0.00 H +ATOM 199 N GLY A 17 12.403 -6.313 -4.630 1.00 0.00 N +ATOM 200 CA GLY A 17 11.638 -5.270 -5.308 1.00 0.00 C +ATOM 201 C GLY A 17 11.698 -5.279 -6.841 1.00 0.00 C +ATOM 202 O GLY A 17 11.036 -4.424 -7.437 1.00 0.00 O +ATOM 203 H GLY A 17 12.050 -7.260 -4.723 1.00 0.00 H +ATOM 204 HA2 GLY A 17 10.592 -5.374 -5.020 1.00 0.00 H +ATOM 205 HA3 GLY A 17 11.974 -4.289 -4.971 1.00 0.00 H +ATOM 206 N LEU A 18 12.447 -6.182 -7.501 1.00 0.00 N +ATOM 207 CA LEU A 18 12.599 -6.133 -8.964 1.00 0.00 C +ATOM 208 C LEU A 18 11.300 -6.504 -9.702 1.00 0.00 C +ATOM 209 O LEU A 18 10.385 -7.081 -9.113 1.00 0.00 O +ATOM 210 CB LEU A 18 13.844 -6.931 -9.424 1.00 0.00 C +ATOM 211 CG LEU A 18 13.659 -8.358 -9.979 1.00 0.00 C +ATOM 212 CD1 LEU A 18 15.022 -8.960 -10.330 1.00 0.00 C +ATOM 213 CD2 LEU A 18 12.951 -9.295 -9.007 1.00 0.00 C +ATOM 214 H LEU A 18 12.983 -6.892 -6.986 1.00 0.00 H +ATOM 215 HA LEU A 18 12.800 -5.088 -9.207 1.00 0.00 H +ATOM 216 HB2 LEU A 18 14.319 -6.349 -10.214 1.00 0.00 H +ATOM 217 HB3 LEU A 18 14.556 -6.973 -8.600 1.00 0.00 H +ATOM 218 HG LEU A 18 13.075 -8.308 -10.897 1.00 0.00 H +ATOM 219 HD11 LEU A 18 15.517 -8.338 -11.075 1.00 0.00 H +ATOM 220 HD12 LEU A 18 15.647 -9.013 -9.438 1.00 0.00 H +ATOM 221 HD13 LEU A 18 14.894 -9.960 -10.746 1.00 0.00 H +ATOM 222 HD21 LEU A 18 13.421 -9.249 -8.027 1.00 0.00 H +ATOM 223 HD22 LEU A 18 11.913 -8.997 -8.928 1.00 0.00 H +ATOM 224 HD23 LEU A 18 12.974 -10.308 -9.386 1.00 0.00 H +ATOM 225 N CYS A 19 11.250 -6.194 -11.002 1.00 0.00 N +ATOM 226 CA CYS A 19 10.085 -6.337 -11.870 1.00 0.00 C +ATOM 227 C CYS A 19 10.384 -7.301 -13.039 1.00 0.00 C +ATOM 228 O CYS A 19 11.364 -7.063 -13.745 1.00 0.00 O +ATOM 229 CB CYS A 19 9.761 -4.951 -12.437 1.00 0.00 C +ATOM 230 SG CYS A 19 9.050 -3.763 -11.271 1.00 0.00 S +ATOM 231 H CYS A 19 12.055 -5.757 -11.423 1.00 0.00 H +ATOM 232 HA CYS A 19 9.245 -6.678 -11.266 1.00 0.00 H +ATOM 233 HB2 CYS A 19 10.676 -4.523 -12.849 1.00 0.00 H +ATOM 234 HB3 CYS A 19 9.063 -5.072 -13.265 1.00 0.00 H +ATOM 235 N ILE A 20 9.569 -8.354 -13.261 1.00 0.00 N +ATOM 236 CA ILE A 20 9.875 -9.396 -14.264 1.00 0.00 C +ATOM 237 C ILE A 20 8.742 -9.695 -15.267 1.00 0.00 C +ATOM 238 O ILE A 20 7.538 -9.573 -15.016 1.00 0.00 O +ATOM 239 CB ILE A 20 10.531 -10.665 -13.645 1.00 0.00 C +ATOM 240 CG1 ILE A 20 9.657 -11.538 -12.726 1.00 0.00 C +ATOM 241 CG2 ILE A 20 11.795 -10.261 -12.866 1.00 0.00 C +ATOM 242 CD1 ILE A 20 8.666 -12.454 -13.464 1.00 0.00 C +ATOM 243 H ILE A 20 8.849 -8.440 -12.570 1.00 0.00 H +ATOM 244 HA ILE A 20 10.661 -8.973 -14.887 1.00 0.00 H +ATOM 245 HB ILE A 20 10.870 -11.304 -14.458 1.00 0.00 H +ATOM 246 HG12 ILE A 20 10.307 -12.199 -12.154 1.00 0.00 H +ATOM 247 HG13 ILE A 20 9.146 -10.898 -12.012 1.00 0.00 H +ATOM 248 HG21 ILE A 20 12.423 -9.611 -13.475 1.00 0.00 H +ATOM 249 HG22 ILE A 20 11.525 -9.752 -11.942 1.00 0.00 H +ATOM 250 HG23 ILE A 20 12.373 -11.149 -12.622 1.00 0.00 H +ATOM 251 HD11 ILE A 20 9.199 -13.081 -14.179 1.00 0.00 H +ATOM 252 HD12 ILE A 20 8.167 -13.099 -12.742 1.00 0.00 H +ATOM 253 HD13 ILE A 20 7.908 -11.879 -13.989 1.00 0.00 H +ATOM 254 N PRO A 21 9.085 -10.067 -16.521 1.00 0.00 N +ATOM 255 CA PRO A 21 8.085 -10.163 -17.583 1.00 0.00 C +ATOM 256 C PRO A 21 7.184 -11.378 -17.400 1.00 0.00 C +ATOM 257 O PRO A 21 7.639 -12.479 -17.693 1.00 0.00 O +ATOM 258 CB PRO A 21 8.848 -10.147 -18.910 1.00 0.00 C +ATOM 259 CG PRO A 21 10.216 -10.712 -18.527 1.00 0.00 C +ATOM 260 CD PRO A 21 10.419 -10.215 -17.095 1.00 0.00 C +ATOM 261 HA PRO A 21 7.445 -9.294 -17.539 1.00 0.00 H +ATOM 262 HB2 PRO A 21 8.361 -10.749 -19.679 1.00 0.00 H +ATOM 263 HB3 PRO A 21 8.946 -9.114 -19.250 1.00 0.00 H +ATOM 264 HG2 PRO A 21 10.180 -11.803 -18.531 1.00 0.00 H +ATOM 265 HG3 PRO A 21 11.002 -10.356 -19.193 1.00 0.00 H +ATOM 266 HD2 PRO A 21 11.023 -10.936 -16.546 1.00 0.00 H +ATOM 267 HD3 PRO A 21 10.916 -9.244 -17.116 1.00 0.00 H +ATOM 268 N LEU A 22 5.949 -11.110 -16.951 1.00 0.00 N +ATOM 269 CA LEU A 22 5.099 -12.084 -16.227 1.00 0.00 C +ATOM 270 C LEU A 22 4.618 -13.261 -17.102 1.00 0.00 C +ATOM 271 O LEU A 22 4.229 -14.324 -16.611 1.00 0.00 O +ATOM 272 CB LEU A 22 3.952 -11.334 -15.523 1.00 0.00 C +ATOM 273 CG LEU A 22 2.936 -12.198 -14.732 1.00 0.00 C +ATOM 274 CD1 LEU A 22 2.488 -11.629 -13.374 1.00 0.00 C +ATOM 275 CD2 LEU A 22 1.651 -12.393 -15.526 1.00 0.00 C +ATOM 276 H LEU A 22 5.712 -10.144 -17.193 1.00 0.00 H +ATOM 277 HA LEU A 22 5.725 -12.518 -15.449 1.00 0.00 H +ATOM 278 HB2 LEU A 22 4.406 -10.633 -14.826 1.00 0.00 H +ATOM 279 HB3 LEU A 22 3.424 -10.757 -16.283 1.00 0.00 H +ATOM 280 HG LEU A 22 3.374 -13.171 -14.535 1.00 0.00 H +ATOM 281 HD11 LEU A 22 3.341 -11.357 -12.769 1.00 0.00 H +ATOM 282 HD12 LEU A 22 1.871 -10.744 -13.507 1.00 0.00 H +ATOM 283 HD13 LEU A 22 1.895 -12.370 -12.842 1.00 0.00 H +ATOM 284 HD21 LEU A 22 1.872 -12.842 -16.492 1.00 0.00 H +ATOM 285 HD22 LEU A 22 0.972 -13.035 -14.969 1.00 0.00 H +ATOM 286 HD23 LEU A 22 1.187 -11.417 -15.674 1.00 0.00 H +ATOM 287 N ARG A 23 4.792 -13.137 -18.421 1.00 0.00 N +ATOM 288 CA ARG A 23 4.774 -14.257 -19.369 1.00 0.00 C +ATOM 289 C ARG A 23 5.700 -15.418 -18.954 1.00 0.00 C +ATOM 290 O ARG A 23 5.489 -16.533 -19.420 1.00 0.00 O +ATOM 291 CB ARG A 23 5.102 -13.695 -20.760 1.00 0.00 C +ATOM 292 CG ARG A 23 4.698 -14.640 -21.905 1.00 0.00 C +ATOM 293 CD ARG A 23 4.660 -13.902 -23.251 1.00 0.00 C +ATOM 294 NE ARG A 23 3.624 -12.848 -23.254 1.00 0.00 N +ATOM 295 CZ ARG A 23 3.595 -11.735 -23.976 1.00 0.00 C +ATOM 296 NH1 ARG A 23 4.459 -11.512 -24.938 1.00 0.00 N +ATOM 297 NH2 ARG A 23 2.688 -10.817 -23.732 1.00 0.00 N +ATOM 298 H ARG A 23 5.131 -12.234 -18.723 1.00 0.00 H +ATOM 299 HA ARG A 23 3.763 -14.665 -19.380 1.00 0.00 H +ATOM 300 HB2 ARG A 23 4.561 -12.755 -20.868 1.00 0.00 H +ATOM 301 HB3 ARG A 23 6.169 -13.474 -20.828 1.00 0.00 H +ATOM 302 HG2 ARG A 23 5.416 -15.459 -21.965 1.00 0.00 H +ATOM 303 HG3 ARG A 23 3.710 -15.058 -21.707 1.00 0.00 H +ATOM 304 HD2 ARG A 23 5.645 -13.467 -23.434 1.00 0.00 H +ATOM 305 HD3 ARG A 23 4.443 -14.624 -24.041 1.00 0.00 H +ATOM 306 HE ARG A 23 2.898 -12.942 -22.563 1.00 0.00 H +ATOM 307 HH11 ARG A 23 5.144 -12.221 -25.128 1.00 0.00 H +ATOM 308 HH12 ARG A 23 4.438 -10.661 -25.469 1.00 0.00 H +ATOM 309 HH21 ARG A 23 2.050 -10.919 -22.959 1.00 0.00 H +ATOM 310 HH22 ARG A 23 2.680 -9.962 -24.258 1.00 0.00 H +ATOM 311 N TRP A 24 6.661 -15.163 -18.053 1.00 0.00 N +ATOM 312 CA TRP A 24 7.645 -16.102 -17.513 1.00 0.00 C +ATOM 313 C TRP A 24 7.341 -16.515 -16.040 1.00 0.00 C +ATOM 314 O TRP A 24 8.144 -16.960 -15.210 1.00 0.00 O +ATOM 315 CB TRP A 24 9.033 -15.507 -17.756 1.00 0.00 C +ATOM 316 CG TRP A 24 9.447 -15.302 -19.187 1.00 0.00 C +ATOM 317 CD1 TRP A 24 9.077 -14.289 -20.004 1.00 0.00 C +ATOM 318 CD2 TRP A 24 10.364 -16.129 -19.966 1.00 0.00 C +ATOM 319 NE1 TRP A 24 9.676 -14.447 -21.240 1.00 0.00 N +ATOM 320 CE2 TRP A 24 10.479 -15.568 -21.272 1.00 0.00 C +ATOM 321 CE3 TRP A 24 11.123 -17.289 -19.695 1.00 0.00 C +ATOM 322 CZ2 TRP A 24 11.290 -16.136 -22.268 1.00 0.00 C +ATOM 323 CZ3 TRP A 24 11.941 -17.868 -20.685 1.00 0.00 C +ATOM 324 CH2 TRP A 24 12.024 -17.298 -21.969 1.00 0.00 C +ATOM 325 H TRP A 24 6.904 -14.207 -17.869 1.00 0.00 H +ATOM 326 HA TRP A 24 7.600 -17.015 -18.103 1.00 0.00 H +ATOM 327 HB2 TRP A 24 9.160 -14.583 -17.191 1.00 0.00 H +ATOM 328 HB3 TRP A 24 9.729 -16.230 -17.378 1.00 0.00 H +ATOM 329 HD1 TRP A 24 8.423 -13.481 -19.716 1.00 0.00 H +ATOM 330 HE1 TRP A 24 9.567 -13.798 -22.002 1.00 0.00 H +ATOM 331 HE3 TRP A 24 11.086 -17.711 -18.695 1.00 0.00 H +ATOM 332 HZ2 TRP A 24 11.357 -15.681 -23.244 1.00 0.00 H +ATOM 333 HZ3 TRP A 24 12.519 -18.748 -20.440 1.00 0.00 H +ATOM 334 HH2 TRP A 24 12.662 -17.747 -22.715 1.00 0.00 H +ATOM 335 N ARG A 25 6.063 -16.408 -15.630 1.00 0.00 N +ATOM 336 CA ARG A 25 5.569 -17.037 -14.388 1.00 0.00 C +ATOM 337 C ARG A 25 5.040 -18.484 -14.471 1.00 0.00 C +ATOM 338 O ARG A 25 4.189 -18.836 -13.654 1.00 0.00 O +ATOM 339 CB ARG A 25 4.584 -16.067 -13.729 1.00 0.00 C +ATOM 340 CG ARG A 25 5.374 -14.837 -13.273 1.00 0.00 C +ATOM 341 CD ARG A 25 4.724 -14.073 -12.126 1.00 0.00 C +ATOM 342 NE ARG A 25 4.611 -14.829 -10.867 1.00 0.00 N +ATOM 343 CZ ARG A 25 3.538 -15.432 -10.377 1.00 0.00 C +ATOM 344 NH1 ARG A 25 2.384 -15.423 -11.003 1.00 0.00 N +ATOM 345 NH2 ARG A 25 3.617 -16.056 -9.228 1.00 0.00 N +ATOM 346 H ARG A 25 5.450 -15.710 -16.034 1.00 0.00 H +ATOM 347 HA ARG A 25 6.404 -17.149 -13.699 1.00 0.00 H +ATOM 348 HB2 ARG A 25 3.791 -15.783 -14.421 1.00 0.00 H +ATOM 349 HB3 ARG A 25 4.131 -16.547 -12.871 1.00 0.00 H +ATOM 350 HG2 ARG A 25 6.380 -15.118 -12.975 1.00 0.00 H +ATOM 351 HG3 ARG A 25 5.488 -14.164 -14.117 1.00 0.00 H +ATOM 352 HD2 ARG A 25 5.378 -13.237 -11.950 1.00 0.00 H +ATOM 353 HD3 ARG A 25 3.754 -13.700 -12.432 1.00 0.00 H +ATOM 354 HE ARG A 25 5.442 -14.917 -10.302 1.00 0.00 H +ATOM 355 HH11 ARG A 25 2.366 -15.012 -11.919 1.00 0.00 H +ATOM 356 HH12 ARG A 25 1.594 -15.922 -10.644 1.00 0.00 H +ATOM 357 HH21 ARG A 25 4.554 -16.160 -8.830 1.00 0.00 H +ATOM 358 HH22 ARG A 25 2.846 -16.584 -8.874 1.00 0.00 H +ATOM 359 N CYS A 26 5.483 -19.335 -15.410 1.00 0.00 N +ATOM 360 CA CYS A 26 5.026 -20.740 -15.484 1.00 0.00 C +ATOM 361 C CYS A 26 5.835 -21.596 -16.490 1.00 0.00 C +ATOM 362 O CYS A 26 5.280 -22.191 -17.416 1.00 0.00 O +ATOM 363 CB CYS A 26 3.505 -20.807 -15.763 1.00 0.00 C +ATOM 364 SG CYS A 26 2.618 -22.068 -14.800 1.00 0.00 S +ATOM 365 H CYS A 26 6.328 -19.076 -15.928 1.00 0.00 H +ATOM 366 HA CYS A 26 5.196 -21.177 -14.499 1.00 0.00 H +ATOM 367 HB2 CYS A 26 3.037 -19.849 -15.546 1.00 0.00 H +ATOM 368 HB3 CYS A 26 3.331 -20.989 -16.823 1.00 0.00 H +ATOM 369 N ASP A 27 7.154 -21.666 -16.311 1.00 0.00 N +ATOM 370 CA ASP A 27 8.130 -22.153 -17.299 1.00 0.00 C +ATOM 371 C ASP A 27 9.143 -23.130 -16.684 1.00 0.00 C +ATOM 372 O ASP A 27 9.610 -24.036 -17.375 1.00 0.00 O +ATOM 373 CB ASP A 27 8.835 -20.965 -18.002 1.00 0.00 C +ATOM 374 CG ASP A 27 8.897 -19.690 -17.148 1.00 0.00 C +ATOM 375 OD1 ASP A 27 7.800 -19.080 -17.068 1.00 0.00 O +ATOM 376 OD2 ASP A 27 9.997 -19.401 -16.616 1.00 0.00 O +ATOM 377 H ASP A 27 7.559 -21.100 -15.551 1.00 0.00 H +ATOM 378 HA ASP A 27 7.605 -22.717 -18.070 1.00 0.00 H +ATOM 379 HB2 ASP A 27 9.839 -21.260 -18.310 1.00 0.00 H +ATOM 380 HB3 ASP A 27 8.275 -20.733 -18.910 1.00 0.00 H +ATOM 381 N GLY A 28 9.418 -23.009 -15.382 1.00 0.00 N +ATOM 382 CA GLY A 28 10.238 -23.938 -14.603 1.00 0.00 C +ATOM 383 C GLY A 28 11.659 -23.442 -14.329 1.00 0.00 C +ATOM 384 O GLY A 28 12.428 -24.154 -13.686 1.00 0.00 O +ATOM 385 H GLY A 28 9.059 -22.164 -14.924 1.00 0.00 H +ATOM 386 HA2 GLY A 28 9.752 -24.104 -13.642 1.00 0.00 H +ATOM 387 HA3 GLY A 28 10.304 -24.895 -15.118 1.00 0.00 H +ATOM 388 N ASP A 29 11.996 -22.231 -14.776 1.00 0.00 N +ATOM 389 CA ASP A 29 13.176 -21.468 -14.382 1.00 0.00 C +ATOM 390 C ASP A 29 12.740 -20.003 -14.202 1.00 0.00 C +ATOM 391 O ASP A 29 11.696 -19.646 -14.755 1.00 0.00 O +ATOM 392 CB ASP A 29 14.291 -21.648 -15.431 1.00 0.00 C +ATOM 393 CG ASP A 29 15.686 -21.242 -14.936 1.00 0.00 C +ATOM 394 OD1 ASP A 29 15.798 -20.798 -13.769 1.00 0.00 O +ATOM 395 OD2 ASP A 29 16.640 -21.408 -15.730 1.00 0.00 O +ATOM 396 H ASP A 29 11.287 -21.640 -15.213 1.00 0.00 H +ATOM 397 HA ASP A 29 13.532 -21.846 -13.423 1.00 0.00 H +ATOM 398 HB2 ASP A 29 14.337 -22.702 -15.712 1.00 0.00 H +ATOM 399 HB3 ASP A 29 14.040 -21.074 -16.325 1.00 0.00 H +ATOM 400 N THR A 30 13.533 -19.264 -13.422 1.00 0.00 N +ATOM 401 CA THR A 30 13.064 -18.258 -12.479 1.00 0.00 C +ATOM 402 C THR A 30 13.748 -16.922 -12.738 1.00 0.00 C +ATOM 403 O THR A 30 14.908 -16.721 -12.368 1.00 0.00 O +ATOM 404 CB THR A 30 13.316 -18.720 -11.039 1.00 0.00 C +ATOM 405 OG1 THR A 30 14.695 -18.891 -10.814 1.00 0.00 O +ATOM 406 CG2 THR A 30 12.593 -20.024 -10.686 1.00 0.00 C +ATOM 407 H THR A 30 14.428 -19.694 -13.179 1.00 0.00 H +ATOM 408 HA THR A 30 11.988 -18.129 -12.594 1.00 0.00 H +ATOM 409 HB THR A 30 12.962 -17.936 -10.379 1.00 0.00 H +ATOM 410 HG1 THR A 30 15.118 -18.139 -11.270 1.00 0.00 H +ATOM 411 HG21 THR A 30 11.521 -19.895 -10.834 1.00 0.00 H +ATOM 412 HG22 THR A 30 12.949 -20.837 -11.317 1.00 0.00 H +ATOM 413 HG23 THR A 30 12.794 -20.284 -9.648 1.00 0.00 H +ATOM 414 N ASP A 31 13.013 -16.020 -13.373 1.00 0.00 N +ATOM 415 CA ASP A 31 13.396 -14.674 -13.761 1.00 0.00 C +ATOM 416 C ASP A 31 13.464 -13.718 -12.554 1.00 0.00 C +ATOM 417 O ASP A 31 14.344 -12.856 -12.513 1.00 0.00 O +ATOM 418 CB ASP A 31 12.393 -14.186 -14.820 1.00 0.00 C +ATOM 419 CG ASP A 31 12.381 -15.080 -16.073 1.00 0.00 C +ATOM 420 OD1 ASP A 31 11.832 -16.187 -16.311 1.00 0.00 O +ATOM 421 OD2 ASP A 31 12.969 -14.788 -17.139 1.00 0.00 O +ATOM 422 H ASP A 31 12.038 -16.285 -13.588 1.00 0.00 H +ATOM 423 HA ASP A 31 14.387 -14.710 -14.215 1.00 0.00 H +ATOM 424 HB2 ASP A 31 11.393 -14.106 -14.405 1.00 0.00 H +ATOM 425 HB3 ASP A 31 12.688 -13.181 -15.125 1.00 0.00 H +ATOM 426 N CYS A 32 12.582 -13.861 -11.550 1.00 0.00 N +ATOM 427 CA CYS A 32 12.718 -13.149 -10.273 1.00 0.00 C +ATOM 428 C CYS A 32 13.993 -13.548 -9.500 1.00 0.00 C +ATOM 429 O CYS A 32 14.466 -14.678 -9.563 1.00 0.00 O +ATOM 430 CB CYS A 32 11.456 -13.362 -9.411 1.00 0.00 C +ATOM 431 SG CYS A 32 11.604 -13.144 -7.620 1.00 0.00 S +ATOM 432 H CYS A 32 11.787 -14.492 -11.684 1.00 0.00 H +ATOM 433 HA CYS A 32 12.793 -12.090 -10.505 1.00 0.00 H +ATOM 434 HB2 CYS A 32 10.655 -12.699 -9.757 1.00 0.00 H +ATOM 435 HB3 CYS A 32 11.128 -14.390 -9.548 1.00 0.00 H +ATOM 436 N MET A 33 14.448 -12.630 -8.637 1.00 0.00 N +ATOM 437 CA MET A 33 15.525 -12.710 -7.637 1.00 0.00 C +ATOM 438 C MET A 33 15.400 -13.866 -6.610 1.00 0.00 C +ATOM 439 O MET A 33 16.243 -13.985 -5.726 1.00 0.00 O +ATOM 440 CB MET A 33 15.558 -11.326 -6.946 1.00 0.00 C +ATOM 441 CG MET A 33 16.906 -10.861 -6.381 1.00 0.00 C +ATOM 442 SD MET A 33 17.161 -11.104 -4.604 1.00 0.00 S +ATOM 443 CE MET A 33 18.531 -9.946 -4.354 1.00 0.00 C +ATOM 444 H MET A 33 13.928 -11.769 -8.623 1.00 0.00 H +ATOM 445 HA MET A 33 16.464 -12.853 -8.173 1.00 0.00 H +ATOM 446 HB2 MET A 33 15.294 -10.576 -7.690 1.00 0.00 H +ATOM 447 HB3 MET A 33 14.796 -11.279 -6.166 1.00 0.00 H +ATOM 448 HG2 MET A 33 17.719 -11.332 -6.933 1.00 0.00 H +ATOM 449 HG3 MET A 33 16.969 -9.787 -6.562 1.00 0.00 H +ATOM 450 HE1 MET A 33 19.368 -10.223 -4.994 1.00 0.00 H +ATOM 451 HE2 MET A 33 18.204 -8.935 -4.603 1.00 0.00 H +ATOM 452 HE3 MET A 33 18.845 -9.975 -3.311 1.00 0.00 H +ATOM 453 N ASP A 34 14.370 -14.719 -6.712 1.00 0.00 N +ATOM 454 CA ASP A 34 14.132 -15.869 -5.831 1.00 0.00 C +ATOM 455 C ASP A 34 13.630 -17.118 -6.593 1.00 0.00 C +ATOM 456 O ASP A 34 14.360 -18.102 -6.671 1.00 0.00 O +ATOM 457 CB ASP A 34 13.259 -15.444 -4.618 1.00 0.00 C +ATOM 458 CG ASP A 34 11.847 -16.028 -4.581 1.00 0.00 C +ATOM 459 OD1 ASP A 34 11.694 -17.184 -4.132 1.00 0.00 O +ATOM 460 OD2 ASP A 34 10.922 -15.392 -5.143 1.00 0.00 O +ATOM 461 H ASP A 34 13.833 -14.624 -7.562 1.00 0.00 H +ATOM 462 HA ASP A 34 15.100 -16.160 -5.418 1.00 0.00 H +ATOM 463 HB2 ASP A 34 13.773 -15.760 -3.709 1.00 0.00 H +ATOM 464 HB3 ASP A 34 13.177 -14.357 -4.588 1.00 0.00 H +ATOM 465 N SER A 35 12.392 -17.083 -7.117 1.00 0.00 N +ATOM 466 CA SER A 35 11.549 -18.241 -7.502 1.00 0.00 C +ATOM 467 C SER A 35 10.051 -17.927 -7.689 1.00 0.00 C +ATOM 468 O SER A 35 9.318 -18.726 -8.276 1.00 0.00 O +ATOM 469 CB SER A 35 11.628 -19.393 -6.475 1.00 0.00 C +ATOM 470 OG SER A 35 10.910 -19.120 -5.280 1.00 0.00 O +ATOM 471 H SER A 35 11.956 -16.179 -7.027 1.00 0.00 H +ATOM 472 HA SER A 35 11.925 -18.615 -8.449 1.00 0.00 H +ATOM 473 HB2 SER A 35 11.183 -20.278 -6.932 1.00 0.00 H +ATOM 474 HB3 SER A 35 12.657 -19.648 -6.233 1.00 0.00 H +ATOM 475 HG SER A 35 11.288 -18.292 -4.789 1.00 0.00 H +ATOM 476 N SER A 36 9.567 -16.783 -7.185 1.00 0.00 N +ATOM 477 CA SER A 36 8.154 -16.434 -7.000 1.00 0.00 C +ATOM 478 C SER A 36 7.429 -16.184 -8.318 1.00 0.00 C +ATOM 479 O SER A 36 6.200 -16.069 -8.324 1.00 0.00 O +ATOM 480 CB SER A 36 8.005 -15.209 -6.087 1.00 0.00 C +ATOM 481 OG SER A 36 8.556 -15.439 -4.811 1.00 0.00 O +ATOM 482 H SER A 36 10.208 -16.161 -6.733 1.00 0.00 H +ATOM 483 HA SER A 36 7.659 -17.273 -6.511 1.00 0.00 H +ATOM 484 HB2 SER A 36 8.503 -14.349 -6.528 1.00 0.00 H +ATOM 485 HB3 SER A 36 6.948 -14.974 -5.964 1.00 0.00 H +ATOM 486 HG SER A 36 9.582 -15.426 -4.914 1.00 0.00 H +ATOM 487 N ASP A 37 8.163 -16.171 -9.437 1.00 0.00 N +ATOM 488 CA ASP A 37 7.635 -16.491 -10.755 1.00 0.00 C +ATOM 489 C ASP A 37 6.678 -17.679 -10.657 1.00 0.00 C +ATOM 490 O ASP A 37 5.536 -17.606 -11.094 1.00 0.00 O +ATOM 491 CB ASP A 37 8.747 -16.923 -11.730 1.00 0.00 C +ATOM 492 CG ASP A 37 9.727 -15.864 -12.213 1.00 0.00 C +ATOM 493 OD1 ASP A 37 9.899 -14.880 -11.457 1.00 0.00 O +ATOM 494 OD2 ASP A 37 10.365 -16.012 -13.280 1.00 0.00 O +ATOM 495 H ASP A 37 9.171 -16.171 -9.367 1.00 0.00 H +ATOM 496 HA ASP A 37 7.118 -15.620 -11.137 1.00 0.00 H +ATOM 497 HB2 ASP A 37 9.332 -17.709 -11.252 1.00 0.00 H +ATOM 498 HB3 ASP A 37 8.250 -17.334 -12.604 1.00 0.00 H +ATOM 499 N GLU A 38 7.157 -18.779 -10.072 1.00 0.00 N +ATOM 500 CA GLU A 38 6.580 -20.095 -10.383 1.00 0.00 C +ATOM 501 C GLU A 38 6.632 -21.116 -9.247 1.00 0.00 C +ATOM 502 O GLU A 38 5.965 -22.147 -9.335 1.00 0.00 O +ATOM 503 CB GLU A 38 7.122 -20.599 -11.728 1.00 0.00 C +ATOM 504 CG GLU A 38 8.650 -20.748 -11.831 1.00 0.00 C +ATOM 505 CD GLU A 38 9.067 -20.187 -13.182 1.00 0.00 C +ATOM 506 OE1 GLU A 38 8.603 -20.640 -14.255 1.00 0.00 O +ATOM 507 OE2 GLU A 38 9.771 -19.155 -13.289 1.00 0.00 O +ATOM 508 H GLU A 38 8.071 -18.660 -9.607 1.00 0.00 H +ATOM 509 HA GLU A 38 5.513 -19.949 -10.553 1.00 0.00 H +ATOM 510 HB2 GLU A 38 6.638 -21.528 -12.026 1.00 0.00 H +ATOM 511 HB3 GLU A 38 6.794 -19.864 -12.465 1.00 0.00 H +ATOM 512 HG2 GLU A 38 9.147 -20.198 -11.031 1.00 0.00 H +ATOM 513 HG3 GLU A 38 8.941 -21.795 -11.756 1.00 0.00 H +ATOM 514 N LYS A 39 7.193 -20.743 -8.085 1.00 0.00 N +ATOM 515 CA LYS A 39 6.957 -21.367 -6.762 1.00 0.00 C +ATOM 516 C LYS A 39 5.473 -21.390 -6.311 1.00 0.00 C +ATOM 517 O LYS A 39 5.181 -21.663 -5.146 1.00 0.00 O +ATOM 518 CB LYS A 39 7.869 -20.677 -5.717 1.00 0.00 C +ATOM 519 CG LYS A 39 8.740 -21.639 -4.885 1.00 0.00 C +ATOM 520 CD LYS A 39 8.024 -22.664 -3.988 1.00 0.00 C +ATOM 521 CE LYS A 39 7.512 -22.115 -2.647 1.00 0.00 C +ATOM 522 NZ LYS A 39 6.444 -21.105 -2.814 1.00 0.00 N +ATOM 523 H LYS A 39 7.790 -19.918 -8.122 1.00 0.00 H +ATOM 524 HA LYS A 39 7.258 -22.410 -6.858 1.00 0.00 H +ATOM 525 HB2 LYS A 39 8.563 -20.017 -6.232 1.00 0.00 H +ATOM 526 HB3 LYS A 39 7.282 -20.028 -5.070 1.00 0.00 H +ATOM 527 HG2 LYS A 39 9.371 -22.189 -5.583 1.00 0.00 H +ATOM 528 HG3 LYS A 39 9.403 -21.047 -4.253 1.00 0.00 H +ATOM 529 HD2 LYS A 39 7.213 -23.146 -4.534 1.00 0.00 H +ATOM 530 HD3 LYS A 39 8.750 -23.444 -3.752 1.00 0.00 H +ATOM 531 HE2 LYS A 39 7.123 -22.958 -2.070 1.00 0.00 H +ATOM 532 HE3 LYS A 39 8.352 -21.686 -2.093 1.00 0.00 H +ATOM 533 HZ1 LYS A 39 5.785 -21.421 -3.532 1.00 0.00 H +ATOM 534 HZ2 LYS A 39 5.950 -20.944 -1.948 1.00 0.00 H +ATOM 535 HZ3 LYS A 39 6.841 -20.235 -3.142 1.00 0.00 H +ATOM 536 N SER A 40 4.540 -21.068 -7.211 1.00 0.00 N +ATOM 537 CA SER A 40 3.084 -21.147 -7.080 1.00 0.00 C +ATOM 538 C SER A 40 2.365 -21.369 -8.433 1.00 0.00 C +ATOM 539 O SER A 40 1.172 -21.075 -8.528 1.00 0.00 O +ATOM 540 CB SER A 40 2.576 -19.880 -6.375 1.00 0.00 C +ATOM 541 OG SER A 40 1.183 -19.962 -6.173 1.00 0.00 O +ATOM 542 H SER A 40 4.925 -20.932 -8.132 1.00 0.00 H +ATOM 543 HA SER A 40 2.846 -22.010 -6.460 1.00 0.00 H +ATOM 544 HB2 SER A 40 3.070 -19.773 -5.408 1.00 0.00 H +ATOM 545 HB3 SER A 40 2.800 -19.008 -6.990 1.00 0.00 H +ATOM 546 HG SER A 40 0.816 -20.321 -7.007 1.00 0.00 H +ATOM 547 N CYS A 41 3.059 -21.871 -9.467 1.00 0.00 N +ATOM 548 CA CYS A 41 2.494 -22.172 -10.790 1.00 0.00 C +ATOM 549 C CYS A 41 2.809 -23.620 -11.181 1.00 0.00 C +ATOM 550 O CYS A 41 3.572 -23.907 -12.100 1.00 0.00 O +ATOM 551 CB CYS A 41 2.921 -21.134 -11.839 1.00 0.00 C +ATOM 552 SG CYS A 41 1.775 -21.029 -13.249 1.00 0.00 S +ATOM 553 H CYS A 41 4.006 -22.196 -9.301 1.00 0.00 H +ATOM 554 HA CYS A 41 1.407 -22.105 -10.721 1.00 0.00 H +ATOM 555 HB2 CYS A 41 2.928 -20.157 -11.359 1.00 0.00 H +ATOM 556 HB3 CYS A 41 3.930 -21.342 -12.197 1.00 0.00 H +ATOM 557 N GLU A 42 2.226 -24.538 -10.410 1.00 0.00 N +ATOM 558 CA GLU A 42 2.201 -25.972 -10.708 1.00 0.00 C +ATOM 559 C GLU A 42 1.321 -26.314 -11.928 1.00 0.00 C +ATOM 560 O GLU A 42 0.537 -25.494 -12.409 1.00 0.00 O +ATOM 561 CB GLU A 42 1.753 -26.748 -9.453 1.00 0.00 C +ATOM 562 CG GLU A 42 0.276 -26.542 -9.055 1.00 0.00 C +ATOM 563 CD GLU A 42 -0.561 -27.826 -9.177 1.00 0.00 C +ATOM 564 OE1 GLU A 42 -0.562 -28.426 -10.277 1.00 0.00 O +ATOM 565 OE2 GLU A 42 -1.189 -28.198 -8.161 1.00 0.00 O +ATOM 566 H GLU A 42 1.660 -24.179 -9.658 1.00 0.00 H +ATOM 567 HA GLU A 42 3.220 -26.281 -10.947 1.00 0.00 H +ATOM 568 HB2 GLU A 42 1.949 -27.809 -9.606 1.00 0.00 H +ATOM 569 HB3 GLU A 42 2.381 -26.433 -8.617 1.00 0.00 H +ATOM 570 HG2 GLU A 42 0.252 -26.193 -8.020 1.00 0.00 H +ATOM 571 HG3 GLU A 42 -0.179 -25.755 -9.660 1.00 0.00 H +ATOM 572 N GLY A 43 1.426 -27.561 -12.396 1.00 0.00 N +ATOM 573 CA GLY A 43 0.454 -28.177 -13.291 1.00 0.00 C +ATOM 574 C GLY A 43 0.686 -29.685 -13.394 1.00 0.00 C +ATOM 575 O GLY A 43 1.823 -30.149 -13.293 1.00 0.00 O +ATOM 576 H GLY A 43 2.070 -28.199 -11.953 1.00 0.00 H +ATOM 577 HA2 GLY A 43 -0.549 -27.992 -12.905 1.00 0.00 H +ATOM 578 HA3 GLY A 43 0.544 -27.734 -14.283 1.00 0.00 H +ATOM 579 N VAL A 44 -0.386 -30.447 -13.650 1.00 0.00 N +ATOM 580 CA VAL A 44 -0.394 -31.911 -13.832 1.00 0.00 C +ATOM 581 C VAL A 44 0.527 -32.614 -12.828 1.00 0.00 C +ATOM 582 O VAL A 44 0.177 -33.671 -12.305 1.00 0.00 O +ATOM 583 CB VAL A 44 -0.044 -32.285 -15.291 1.00 0.00 C +ATOM 584 CG1 VAL A 44 -0.057 -33.803 -15.524 1.00 0.00 C +ATOM 585 CG2 VAL A 44 -1.042 -31.659 -16.278 1.00 0.00 C +ATOM 586 H VAL A 44 -1.275 -29.969 -13.681 1.00 0.00 H +ATOM 587 HA VAL A 44 -1.403 -32.271 -13.630 1.00 0.00 H +ATOM 588 HB VAL A 44 0.954 -31.913 -15.526 1.00 0.00 H +ATOM 589 HG11 VAL A 44 -1.025 -34.219 -15.243 1.00 0.00 H +ATOM 590 HG12 VAL A 44 0.134 -34.020 -16.575 1.00 0.00 H +ATOM 591 HG13 VAL A 44 0.724 -34.285 -14.935 1.00 0.00 H +ATOM 592 HG21 VAL A 44 -2.055 -31.992 -16.050 1.00 0.00 H +ATOM 593 HG22 VAL A 44 -0.999 -30.572 -16.224 1.00 0.00 H +ATOM 594 HG23 VAL A 44 -0.791 -31.955 -17.297 1.00 0.00 H Added: SwiftApps/modFTdock/input/indata/1dv0-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1dv0-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1dv0-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,710 @@ +ATOM 1 N GLN A 1 28.264 11.297 6.524 1.00 0.00 N +ATOM 2 CA GLN A 1 29.549 11.974 6.654 1.00 0.00 C +ATOM 3 C GLN A 1 30.660 11.272 5.855 1.00 0.00 C +ATOM 4 O GLN A 1 31.702 11.865 5.591 1.00 0.00 O +ATOM 5 CB GLN A 1 29.969 12.114 8.135 1.00 0.00 C +ATOM 6 CG GLN A 1 29.478 13.426 8.785 1.00 0.00 C +ATOM 7 CD GLN A 1 30.626 14.303 9.317 1.00 0.00 C +ATOM 8 OE1 GLN A 1 30.822 15.438 8.887 1.00 0.00 O +ATOM 9 NE2 GLN A 1 31.337 13.724 10.301 1.00 0.00 N +ATOM 10 H GLN A 1 28.069 11.159 5.506 1.00 0.00 H +ATOM 11 HA GLN A 1 29.432 12.960 6.205 1.00 0.00 H +ATOM 12 HB2 GLN A 1 29.572 11.270 8.700 1.00 0.00 H +ATOM 13 HB3 GLN A 1 31.051 12.022 8.242 1.00 0.00 H +ATOM 14 HG2 GLN A 1 28.910 14.034 8.087 1.00 0.00 H +ATOM 15 HG3 GLN A 1 28.785 13.199 9.596 1.00 0.00 H +ATOM 16 HE21 GLN A 1 31.194 12.757 10.532 1.00 0.00 H +ATOM 17 HE22 GLN A 1 32.016 14.236 10.824 1.00 0.00 H +ATOM 18 N GLU A 2 30.388 10.001 5.493 1.00 0.00 N +ATOM 19 CA GLU A 2 31.340 9.168 4.763 1.00 0.00 C +ATOM 20 C GLU A 2 30.715 8.587 3.479 1.00 0.00 C +ATOM 21 O GLU A 2 31.302 7.728 2.829 1.00 0.00 O +ATOM 22 CB GLU A 2 31.847 8.059 5.691 1.00 0.00 C +ATOM 23 CG GLU A 2 30.736 7.110 6.178 1.00 0.00 C +ATOM 24 CD GLU A 2 30.408 7.317 7.668 1.00 0.00 C +ATOM 25 OE1 GLU A 2 30.037 8.421 8.046 1.00 0.00 O +ATOM 26 OE2 GLU A 2 30.528 6.361 8.437 1.00 0.00 O +ATOM 27 H GLU A 2 29.511 9.598 5.751 1.00 0.00 H +ATOM 28 HA GLU A 2 32.183 9.781 4.453 1.00 0.00 H +ATOM 29 HB2 GLU A 2 32.588 7.474 5.156 1.00 0.00 H +ATOM 30 HB3 GLU A 2 32.400 8.499 6.524 1.00 0.00 H +ATOM 31 HG2 GLU A 2 29.816 7.224 5.601 1.00 0.00 H +ATOM 32 HG3 GLU A 2 31.063 6.086 6.013 1.00 0.00 H +ATOM 33 N LYS A 3 29.509 9.109 3.158 1.00 0.00 N +ATOM 34 CA LYS A 3 28.757 8.678 1.980 1.00 0.00 C +ATOM 35 C LYS A 3 29.418 9.108 0.666 1.00 0.00 C +ATOM 36 O LYS A 3 29.131 8.563 -0.394 1.00 0.00 O +ATOM 37 CB LYS A 3 27.304 9.151 2.059 1.00 0.00 C +ATOM 38 CG LYS A 3 27.122 10.674 2.108 1.00 0.00 C +ATOM 39 CD LYS A 3 27.065 11.340 0.725 1.00 0.00 C +ATOM 40 CE LYS A 3 26.272 12.657 0.751 1.00 0.00 C +ATOM 41 NZ LYS A 3 26.918 13.747 0.029 1.00 0.00 N +ATOM 42 H LYS A 3 29.091 9.798 3.748 1.00 0.00 H +ATOM 43 HA LYS A 3 28.741 7.600 2.009 1.00 0.00 H +ATOM 44 HB2 LYS A 3 26.723 8.717 1.242 1.00 0.00 H +ATOM 45 HB3 LYS A 3 26.860 8.734 2.962 1.00 0.00 H +ATOM 46 HG2 LYS A 3 26.186 10.858 2.632 1.00 0.00 H +ATOM 47 HG3 LYS A 3 27.892 11.152 2.716 1.00 0.00 H +ATOM 48 HD2 LYS A 3 28.076 11.510 0.359 1.00 0.00 H +ATOM 49 HD3 LYS A 3 26.598 10.667 0.005 1.00 0.00 H +ATOM 50 HE2 LYS A 3 25.284 12.499 0.317 1.00 0.00 H +ATOM 51 HE3 LYS A 3 26.110 12.996 1.773 1.00 0.00 H +ATOM 52 HZ1 LYS A 3 27.778 14.032 0.542 1.00 0.00 H +ATOM 53 HZ2 LYS A 3 26.269 14.560 -0.025 1.00 0.00 H +ATOM 54 HZ3 LYS A 3 27.173 13.441 -0.931 1.00 0.00 H +ATOM 55 N GLU A 4 30.325 10.096 0.809 1.00 0.00 N +ATOM 56 CA GLU A 4 31.077 10.633 -0.318 1.00 0.00 C +ATOM 57 C GLU A 4 32.030 9.581 -0.908 1.00 0.00 C +ATOM 58 O GLU A 4 32.455 9.667 -2.054 1.00 0.00 O +ATOM 59 CB GLU A 4 31.891 11.842 0.178 1.00 0.00 C +ATOM 60 CG GLU A 4 31.945 12.993 -0.844 1.00 0.00 C +ATOM 61 CD GLU A 4 33.284 13.070 -1.604 1.00 0.00 C +ATOM 62 OE1 GLU A 4 34.324 13.168 -0.957 1.00 0.00 O +ATOM 63 OE2 GLU A 4 33.270 13.043 -2.837 1.00 0.00 O +ATOM 64 H GLU A 4 30.519 10.438 1.729 1.00 0.00 H +ATOM 65 HA GLU A 4 30.327 10.911 -1.061 1.00 0.00 H +ATOM 66 HB2 GLU A 4 31.421 12.229 1.080 1.00 0.00 H +ATOM 67 HB3 GLU A 4 32.885 11.545 0.522 1.00 0.00 H +ATOM 68 HG2 GLU A 4 31.121 12.918 -1.554 1.00 0.00 H +ATOM 69 HG3 GLU A 4 31.787 13.938 -0.326 1.00 0.00 H +ATOM 70 N ALA A 5 32.324 8.597 -0.044 1.00 0.00 N +ATOM 71 CA ALA A 5 33.150 7.467 -0.403 1.00 0.00 C +ATOM 72 C ALA A 5 32.291 6.312 -0.893 1.00 0.00 C +ATOM 73 O ALA A 5 32.751 5.530 -1.698 1.00 0.00 O +ATOM 74 CB ALA A 5 33.904 7.028 0.840 1.00 0.00 C +ATOM 75 H ALA A 5 31.949 8.640 0.882 1.00 0.00 H +ATOM 76 HA ALA A 5 33.856 7.763 -1.188 1.00 0.00 H +ATOM 77 HB1 ALA A 5 34.841 6.544 0.556 1.00 0.00 H +ATOM 78 HB2 ALA A 5 33.358 6.358 1.505 1.00 0.00 H +ATOM 79 HB3 ALA A 5 34.071 7.905 1.453 1.00 0.00 H +ATOM 80 N ILE A 6 31.034 6.221 -0.384 1.00 0.00 N +ATOM 81 CA ILE A 6 30.210 5.048 -0.704 1.00 0.00 C +ATOM 82 C ILE A 6 29.899 4.961 -2.224 1.00 0.00 C +ATOM 83 O ILE A 6 29.431 3.943 -2.714 1.00 0.00 O +ATOM 84 CB ILE A 6 28.922 4.968 0.154 1.00 0.00 C +ATOM 85 CG1 ILE A 6 29.201 5.155 1.666 1.00 0.00 C +ATOM 86 CG2 ILE A 6 28.152 3.653 -0.078 1.00 0.00 C +ATOM 87 CD1 ILE A 6 29.605 3.908 2.454 1.00 0.00 C +ATOM 88 H ILE A 6 30.674 6.895 0.260 1.00 0.00 H +ATOM 89 HA ILE A 6 30.829 4.206 -0.418 1.00 0.00 H +ATOM 90 HB ILE A 6 28.252 5.774 -0.163 1.00 0.00 H +ATOM 91 HG12 ILE A 6 29.980 5.893 1.844 1.00 0.00 H +ATOM 92 HG13 ILE A 6 28.290 5.536 2.123 1.00 0.00 H +ATOM 93 HG21 ILE A 6 28.785 2.779 0.070 1.00 0.00 H +ATOM 94 HG22 ILE A 6 27.750 3.597 -1.088 1.00 0.00 H +ATOM 95 HG23 ILE A 6 27.317 3.557 0.613 1.00 0.00 H +ATOM 96 HD11 ILE A 6 30.426 3.376 1.977 1.00 0.00 H +ATOM 97 HD12 ILE A 6 28.765 3.232 2.589 1.00 0.00 H +ATOM 98 HD13 ILE A 6 29.926 4.201 3.453 1.00 0.00 H +ATOM 99 N GLU A 7 30.202 6.076 -2.923 1.00 0.00 N +ATOM 100 CA GLU A 7 30.046 6.197 -4.367 1.00 0.00 C +ATOM 101 C GLU A 7 31.409 6.176 -5.079 1.00 0.00 C +ATOM 102 O GLU A 7 31.499 5.760 -6.225 1.00 0.00 O +ATOM 103 CB GLU A 7 29.286 7.496 -4.667 1.00 0.00 C +ATOM 104 CG GLU A 7 30.084 8.762 -4.309 1.00 0.00 C +ATOM 105 CD GLU A 7 29.189 10.014 -4.223 1.00 0.00 C +ATOM 106 OE1 GLU A 7 28.218 9.991 -3.467 1.00 0.00 O +ATOM 107 OE2 GLU A 7 29.474 10.999 -4.903 1.00 0.00 O +ATOM 108 H GLU A 7 30.585 6.858 -2.434 1.00 0.00 H +ATOM 109 HA GLU A 7 29.467 5.346 -4.723 1.00 0.00 H +ATOM 110 HB2 GLU A 7 28.998 7.528 -5.718 1.00 0.00 H +ATOM 111 HB3 GLU A 7 28.356 7.469 -4.099 1.00 0.00 H +ATOM 112 HG2 GLU A 7 30.586 8.637 -3.351 1.00 0.00 H +ATOM 113 HG3 GLU A 7 30.869 8.915 -5.051 1.00 0.00 H +ATOM 114 N ARG A 8 32.444 6.643 -4.354 1.00 0.00 N +ATOM 115 CA ARG A 8 33.804 6.707 -4.891 1.00 0.00 C +ATOM 116 C ARG A 8 34.503 5.338 -4.832 1.00 0.00 C +ATOM 117 O ARG A 8 35.456 5.081 -5.557 1.00 0.00 O +ATOM 118 CB ARG A 8 34.587 7.771 -4.098 1.00 0.00 C +ATOM 119 CG ARG A 8 35.417 8.684 -5.006 1.00 0.00 C +ATOM 120 CD ARG A 8 35.708 10.054 -4.378 1.00 0.00 C +ATOM 121 NE ARG A 8 37.134 10.242 -4.122 1.00 0.00 N +ATOM 122 CZ ARG A 8 38.006 10.501 -5.120 1.00 0.00 C +ATOM 123 NH1 ARG A 8 37.637 10.400 -6.399 1.00 0.00 N +ATOM 124 NH2 ARG A 8 39.253 10.873 -4.819 1.00 0.00 N +ATOM 125 H ARG A 8 32.271 6.969 -3.425 1.00 0.00 H +ATOM 126 HA ARG A 8 33.711 6.999 -5.938 1.00 0.00 H +ATOM 127 HB2 ARG A 8 33.863 8.388 -3.574 1.00 0.00 H +ATOM 128 HB3 ARG A 8 35.213 7.348 -3.309 1.00 0.00 H +ATOM 129 HG2 ARG A 8 36.337 8.177 -5.292 1.00 0.00 H +ATOM 130 HG3 ARG A 8 34.876 8.867 -5.935 1.00 0.00 H +ATOM 131 HD2 ARG A 8 35.367 10.852 -5.042 1.00 0.00 H +ATOM 132 HD3 ARG A 8 35.191 10.215 -3.432 1.00 0.00 H +ATOM 133 HE ARG A 8 37.452 10.298 -3.173 1.00 0.00 H +ATOM 134 HH11 ARG A 8 36.967 9.697 -6.673 1.00 0.00 H +ATOM 135 HH12 ARG A 8 38.031 11.046 -7.070 1.00 0.00 H +ATOM 136 HH21 ARG A 8 39.518 11.020 -3.863 1.00 0.00 H +ATOM 137 HH22 ARG A 8 39.918 10.994 -5.555 1.00 0.00 H +ATOM 138 N LEU A 9 33.960 4.502 -3.927 1.00 0.00 N +ATOM 139 CA LEU A 9 34.411 3.149 -3.639 1.00 0.00 C +ATOM 140 C LEU A 9 33.680 2.172 -4.573 1.00 0.00 C +ATOM 141 O LEU A 9 34.178 1.128 -4.971 1.00 0.00 O +ATOM 142 CB LEU A 9 34.040 2.823 -2.197 1.00 0.00 C +ATOM 143 CG LEU A 9 34.785 3.679 -1.154 1.00 0.00 C +ATOM 144 CD1 LEU A 9 33.993 3.690 0.155 1.00 0.00 C +ATOM 145 CD2 LEU A 9 36.204 3.213 -0.903 1.00 0.00 C +ATOM 146 H LEU A 9 33.141 4.794 -3.437 1.00 0.00 H +ATOM 147 HA LEU A 9 35.482 3.118 -3.749 1.00 0.00 H +ATOM 148 HB2 LEU A 9 32.975 3.024 -2.123 1.00 0.00 H +ATOM 149 HB3 LEU A 9 34.161 1.760 -1.983 1.00 0.00 H +ATOM 150 HG LEU A 9 34.904 4.697 -1.520 1.00 0.00 H +ATOM 151 HD11 LEU A 9 34.110 2.763 0.718 1.00 0.00 H +ATOM 152 HD12 LEU A 9 32.932 3.812 -0.025 1.00 0.00 H +ATOM 153 HD13 LEU A 9 34.295 4.522 0.769 1.00 0.00 H +ATOM 154 HD21 LEU A 9 36.835 4.029 -0.550 1.00 0.00 H +ATOM 155 HD22 LEU A 9 36.638 2.789 -1.807 1.00 0.00 H +ATOM 156 HD23 LEU A 9 36.185 2.465 -0.120 1.00 0.00 H +ATOM 157 N LYS A 10 32.452 2.613 -4.879 1.00 0.00 N +ATOM 158 CA LYS A 10 31.580 1.908 -5.803 1.00 0.00 C +ATOM 159 C LYS A 10 32.000 2.199 -7.257 1.00 0.00 C +ATOM 160 O LYS A 10 31.847 1.363 -8.140 1.00 0.00 O +ATOM 161 CB LYS A 10 30.146 2.407 -5.547 1.00 0.00 C +ATOM 162 CG LYS A 10 29.173 1.275 -5.260 1.00 0.00 C +ATOM 163 CD LYS A 10 28.709 0.586 -6.546 1.00 0.00 C +ATOM 164 CE LYS A 10 27.480 1.206 -7.210 1.00 0.00 C +ATOM 165 NZ LYS A 10 27.839 2.031 -8.351 1.00 0.00 N +ATOM 166 H LYS A 10 32.161 3.473 -4.461 1.00 0.00 H +ATOM 167 HA LYS A 10 31.686 0.839 -5.584 1.00 0.00 H +ATOM 168 HB2 LYS A 10 30.159 3.043 -4.672 1.00 0.00 H +ATOM 169 HB3 LYS A 10 29.757 3.053 -6.336 1.00 0.00 H +ATOM 170 HG2 LYS A 10 29.660 0.536 -4.624 1.00 0.00 H +ATOM 171 HG3 LYS A 10 28.342 1.674 -4.676 1.00 0.00 H +ATOM 172 HD2 LYS A 10 29.521 0.549 -7.272 1.00 0.00 H +ATOM 173 HD3 LYS A 10 28.467 -0.444 -6.305 1.00 0.00 H +ATOM 174 HE2 LYS A 10 26.838 0.402 -7.574 1.00 0.00 H +ATOM 175 HE3 LYS A 10 26.889 1.809 -6.521 1.00 0.00 H +ATOM 176 HZ1 LYS A 10 28.248 2.926 -8.012 1.00 0.00 H +ATOM 177 HZ2 LYS A 10 26.995 2.227 -8.928 1.00 0.00 H +ATOM 178 HZ3 LYS A 10 28.545 1.525 -8.922 1.00 0.00 H +ATOM 179 N ALA A 11 32.525 3.432 -7.447 1.00 0.00 N +ATOM 180 CA ALA A 11 32.912 3.932 -8.766 1.00 0.00 C +ATOM 181 C ALA A 11 34.230 3.316 -9.244 1.00 0.00 C +ATOM 182 O ALA A 11 34.499 3.262 -10.439 1.00 0.00 O +ATOM 183 CB ALA A 11 33.049 5.456 -8.716 1.00 0.00 C +ATOM 184 H ALA A 11 32.660 4.044 -6.667 1.00 0.00 H +ATOM 185 HA ALA A 11 32.127 3.646 -9.467 1.00 0.00 H +ATOM 186 HB1 ALA A 11 33.711 5.769 -7.908 1.00 0.00 H +ATOM 187 HB2 ALA A 11 32.072 5.906 -8.552 1.00 0.00 H +ATOM 188 HB3 ALA A 11 33.435 5.869 -9.650 1.00 0.00 H +ATOM 189 N LEU A 12 35.001 2.820 -8.252 1.00 0.00 N +ATOM 190 CA LEU A 12 36.177 1.995 -8.513 1.00 0.00 C +ATOM 191 C LEU A 12 35.808 0.752 -9.371 1.00 0.00 C +ATOM 192 O LEU A 12 36.663 0.190 -10.045 1.00 0.00 O +ATOM 193 CB LEU A 12 36.753 1.547 -7.164 1.00 0.00 C +ATOM 194 CG LEU A 12 37.805 2.467 -6.501 1.00 0.00 C +ATOM 195 CD1 LEU A 12 37.569 2.599 -4.986 1.00 0.00 C +ATOM 196 CD2 LEU A 12 39.213 1.902 -6.688 1.00 0.00 C +ATOM 197 H LEU A 12 34.709 2.934 -7.303 1.00 0.00 H +ATOM 198 HA LEU A 12 36.904 2.598 -9.055 1.00 0.00 H +ATOM 199 HB2 LEU A 12 35.917 1.395 -6.490 1.00 0.00 H +ATOM 200 HB3 LEU A 12 37.204 0.574 -7.301 1.00 0.00 H +ATOM 201 HG LEU A 12 37.765 3.458 -6.962 1.00 0.00 H +ATOM 202 HD11 LEU A 12 38.464 2.466 -4.377 1.00 0.00 H +ATOM 203 HD12 LEU A 12 36.870 1.844 -4.626 1.00 0.00 H +ATOM 204 HD13 LEU A 12 37.203 3.598 -4.763 1.00 0.00 H +ATOM 205 HD21 LEU A 12 39.971 2.608 -6.351 1.00 0.00 H +ATOM 206 HD22 LEU A 12 39.403 1.620 -7.721 1.00 0.00 H +ATOM 207 HD23 LEU A 12 39.334 1.015 -6.077 1.00 0.00 H +ATOM 208 N GLY A 13 34.507 0.383 -9.313 1.00 0.00 N +ATOM 209 CA GLY A 13 33.955 -0.696 -10.134 1.00 0.00 C +ATOM 210 C GLY A 13 33.322 -1.822 -9.297 1.00 0.00 C +ATOM 211 O GLY A 13 32.932 -2.858 -9.829 1.00 0.00 O +ATOM 212 H GLY A 13 33.887 0.927 -8.747 1.00 0.00 H +ATOM 213 HA2 GLY A 13 33.195 -0.244 -10.770 1.00 0.00 H +ATOM 214 HA3 GLY A 13 34.738 -1.105 -10.773 1.00 0.00 H +ATOM 215 N PHE A 14 33.255 -1.573 -7.975 1.00 0.00 N +ATOM 216 CA PHE A 14 32.785 -2.556 -7.015 1.00 0.00 C +ATOM 217 C PHE A 14 31.322 -2.312 -6.669 1.00 0.00 C +ATOM 218 O PHE A 14 30.827 -1.210 -6.909 1.00 0.00 O +ATOM 219 CB PHE A 14 33.616 -2.364 -5.745 1.00 0.00 C +ATOM 220 CG PHE A 14 35.068 -2.673 -5.981 1.00 0.00 C +ATOM 221 CD1 PHE A 14 35.520 -3.989 -6.101 1.00 0.00 C +ATOM 222 CD2 PHE A 14 35.984 -1.640 -6.095 1.00 0.00 C +ATOM 223 CE1 PHE A 14 36.864 -4.266 -6.335 1.00 0.00 C +ATOM 224 CE2 PHE A 14 37.315 -1.915 -6.349 1.00 0.00 C +ATOM 225 CZ PHE A 14 37.767 -3.223 -6.459 1.00 0.00 C +ATOM 226 H PHE A 14 33.623 -0.725 -7.594 1.00 0.00 H +ATOM 227 HA PHE A 14 32.891 -3.548 -7.461 1.00 0.00 H +ATOM 228 HB2 PHE A 14 33.483 -1.358 -5.321 1.00 0.00 H +ATOM 229 HB3 PHE A 14 33.250 -3.056 -5.007 1.00 0.00 H +ATOM 230 HD1 PHE A 14 34.826 -4.811 -6.007 1.00 0.00 H +ATOM 231 HD2 PHE A 14 35.649 -0.621 -5.974 1.00 0.00 H +ATOM 232 HE1 PHE A 14 37.216 -5.285 -6.423 1.00 0.00 H +ATOM 233 HE2 PHE A 14 38.002 -1.096 -6.465 1.00 0.00 H +ATOM 234 HZ PHE A 14 38.818 -3.428 -6.622 1.00 0.00 H +ATOM 235 N PRO A 15 30.643 -3.331 -6.079 1.00 0.00 N +ATOM 236 CA PRO A 15 29.280 -3.197 -5.559 1.00 0.00 C +ATOM 237 C PRO A 15 29.223 -2.498 -4.193 1.00 0.00 C +ATOM 238 O PRO A 15 30.075 -2.732 -3.349 1.00 0.00 O +ATOM 239 CB PRO A 15 28.799 -4.640 -5.397 1.00 0.00 C +ATOM 240 CG PRO A 15 30.073 -5.447 -5.157 1.00 0.00 C +ATOM 241 CD PRO A 15 31.169 -4.694 -5.919 1.00 0.00 C +ATOM 242 HA PRO A 15 28.667 -2.644 -6.269 1.00 0.00 H +ATOM 243 HB2 PRO A 15 28.040 -4.788 -4.619 1.00 0.00 H +ATOM 244 HB3 PRO A 15 28.385 -4.942 -6.354 1.00 0.00 H +ATOM 245 HG2 PRO A 15 30.250 -5.438 -4.082 1.00 0.00 H +ATOM 246 HG3 PRO A 15 29.999 -6.486 -5.482 1.00 0.00 H +ATOM 247 HD2 PRO A 15 32.109 -4.719 -5.371 1.00 0.00 H +ATOM 248 HD3 PRO A 15 31.319 -5.122 -6.912 1.00 0.00 H +ATOM 249 N GLU A 16 28.183 -1.647 -4.018 1.00 0.00 N +ATOM 250 CA GLU A 16 27.980 -0.861 -2.793 1.00 0.00 C +ATOM 251 C GLU A 16 27.998 -1.709 -1.495 1.00 0.00 C +ATOM 252 O GLU A 16 28.177 -1.196 -0.397 1.00 0.00 O +ATOM 253 CB GLU A 16 26.667 -0.054 -2.812 1.00 0.00 C +ATOM 254 CG GLU A 16 25.987 0.148 -4.175 1.00 0.00 C +ATOM 255 CD GLU A 16 25.115 -1.036 -4.628 1.00 0.00 C +ATOM 256 OE1 GLU A 16 25.101 -2.079 -3.975 1.00 0.00 O +ATOM 257 OE2 GLU A 16 24.455 -0.891 -5.658 1.00 0.00 O +ATOM 258 H GLU A 16 27.535 -1.512 -4.768 1.00 0.00 H +ATOM 259 HA GLU A 16 28.798 -0.147 -2.776 1.00 0.00 H +ATOM 260 HB2 GLU A 16 25.928 -0.509 -2.150 1.00 0.00 H +ATOM 261 HB3 GLU A 16 26.891 0.933 -2.399 1.00 0.00 H +ATOM 262 HG2 GLU A 16 25.369 1.043 -4.116 1.00 0.00 H +ATOM 263 HG3 GLU A 16 26.701 0.321 -4.966 1.00 0.00 H +ATOM 264 N SER A 17 27.767 -3.018 -1.694 1.00 0.00 N +ATOM 265 CA SER A 17 27.639 -3.964 -0.599 1.00 0.00 C +ATOM 266 C SER A 17 28.991 -4.238 0.074 1.00 0.00 C +ATOM 267 O SER A 17 29.066 -4.351 1.294 1.00 0.00 O +ATOM 268 CB SER A 17 27.050 -5.262 -1.177 1.00 0.00 C +ATOM 269 OG SER A 17 26.343 -6.020 -0.212 1.00 0.00 O +ATOM 270 H SER A 17 27.632 -3.339 -2.630 1.00 0.00 H +ATOM 271 HA SER A 17 26.979 -3.493 0.136 1.00 0.00 H +ATOM 272 HB2 SER A 17 26.421 -5.053 -2.049 1.00 0.00 H +ATOM 273 HB3 SER A 17 27.831 -5.913 -1.568 1.00 0.00 H +ATOM 274 HG SER A 17 25.602 -5.522 0.116 1.00 0.00 H +ATOM 275 N LEU A 18 30.048 -4.316 -0.770 1.00 0.00 N +ATOM 276 CA LEU A 18 31.388 -4.439 -0.207 1.00 0.00 C +ATOM 277 C LEU A 18 31.890 -3.092 0.328 1.00 0.00 C +ATOM 278 O LEU A 18 32.738 -3.050 1.201 1.00 0.00 O +ATOM 279 CB LEU A 18 32.392 -5.093 -1.176 1.00 0.00 C +ATOM 280 CG LEU A 18 32.710 -4.416 -2.521 1.00 0.00 C +ATOM 281 CD1 LEU A 18 33.085 -2.958 -2.368 1.00 0.00 C +ATOM 282 CD2 LEU A 18 33.849 -5.175 -3.224 1.00 0.00 C +ATOM 283 H LEU A 18 29.942 -4.152 -1.751 1.00 0.00 H +ATOM 284 HA LEU A 18 31.310 -5.093 0.662 1.00 0.00 H +ATOM 285 HB2 LEU A 18 33.329 -5.201 -0.633 1.00 0.00 H +ATOM 286 HB3 LEU A 18 32.057 -6.106 -1.387 1.00 0.00 H +ATOM 287 HG LEU A 18 31.825 -4.405 -3.151 1.00 0.00 H +ATOM 288 HD11 LEU A 18 33.608 -2.808 -1.427 1.00 0.00 H +ATOM 289 HD12 LEU A 18 32.194 -2.354 -2.450 1.00 0.00 H +ATOM 290 HD13 LEU A 18 33.721 -2.589 -3.155 1.00 0.00 H +ATOM 291 HD21 LEU A 18 34.510 -4.477 -3.727 1.00 0.00 H +ATOM 292 HD22 LEU A 18 33.453 -5.877 -3.959 1.00 0.00 H +ATOM 293 HD23 LEU A 18 34.501 -5.714 -2.533 1.00 0.00 H +ATOM 294 N VAL A 19 31.331 -2.018 -0.276 1.00 0.00 N +ATOM 295 CA VAL A 19 31.839 -0.668 -0.088 1.00 0.00 C +ATOM 296 C VAL A 19 31.629 -0.251 1.363 1.00 0.00 C +ATOM 297 O VAL A 19 32.538 0.197 2.050 1.00 0.00 O +ATOM 298 CB VAL A 19 31.108 0.307 -1.028 1.00 0.00 C +ATOM 299 CG1 VAL A 19 31.362 1.734 -0.605 1.00 0.00 C +ATOM 300 CG2 VAL A 19 31.528 0.192 -2.504 1.00 0.00 C +ATOM 301 H VAL A 19 30.605 -2.172 -0.942 1.00 0.00 H +ATOM 302 HA VAL A 19 32.906 -0.685 -0.300 1.00 0.00 H +ATOM 303 HB VAL A 19 30.039 0.132 -0.942 1.00 0.00 H +ATOM 304 HG11 VAL A 19 32.429 1.826 -0.444 1.00 0.00 H +ATOM 305 HG12 VAL A 19 30.858 2.013 0.317 1.00 0.00 H +ATOM 306 HG13 VAL A 19 31.035 2.399 -1.397 1.00 0.00 H +ATOM 307 HG21 VAL A 19 32.606 0.094 -2.653 1.00 0.00 H +ATOM 308 HG22 VAL A 19 31.203 1.066 -3.068 1.00 0.00 H +ATOM 309 HG23 VAL A 19 31.029 -0.644 -2.968 1.00 0.00 H +ATOM 310 N ILE A 20 30.359 -0.442 1.752 1.00 0.00 N +ATOM 311 CA ILE A 20 29.900 -0.148 3.089 1.00 0.00 C +ATOM 312 C ILE A 20 30.800 -0.797 4.144 1.00 0.00 C +ATOM 313 O ILE A 20 31.301 -0.133 5.041 1.00 0.00 O +ATOM 314 CB ILE A 20 28.405 -0.544 3.180 1.00 0.00 C +ATOM 315 CG1 ILE A 20 27.576 0.614 3.727 1.00 0.00 C +ATOM 316 CG2 ILE A 20 28.091 -1.832 3.951 1.00 0.00 C +ATOM 317 CD1 ILE A 20 27.901 0.961 5.178 1.00 0.00 C +ATOM 318 H ILE A 20 29.670 -0.784 1.112 1.00 0.00 H +ATOM 319 HA ILE A 20 30.027 0.927 3.194 1.00 0.00 H +ATOM 320 HB ILE A 20 28.042 -0.723 2.166 1.00 0.00 H +ATOM 321 HG12 ILE A 20 27.735 1.490 3.106 1.00 0.00 H +ATOM 322 HG13 ILE A 20 26.519 0.379 3.634 1.00 0.00 H +ATOM 323 HG21 ILE A 20 28.510 -2.694 3.432 1.00 0.00 H +ATOM 324 HG22 ILE A 20 27.015 -1.968 4.034 1.00 0.00 H +ATOM 325 HG23 ILE A 20 28.475 -1.807 4.972 1.00 0.00 H +ATOM 326 HD11 ILE A 20 28.966 1.141 5.325 1.00 0.00 H +ATOM 327 HD12 ILE A 20 27.597 0.165 5.856 1.00 0.00 H +ATOM 328 HD13 ILE A 20 27.367 1.866 5.455 1.00 0.00 H +ATOM 329 N GLN A 21 30.971 -2.119 3.957 1.00 0.00 N +ATOM 330 CA GLN A 21 31.654 -2.918 4.958 1.00 0.00 C +ATOM 331 C GLN A 21 33.179 -2.920 4.755 1.00 0.00 C +ATOM 332 O GLN A 21 33.905 -3.490 5.550 1.00 0.00 O +ATOM 333 CB GLN A 21 31.084 -4.351 4.934 1.00 0.00 C +ATOM 334 CG GLN A 21 31.298 -5.124 6.241 1.00 0.00 C +ATOM 335 CD GLN A 21 30.742 -4.353 7.449 1.00 0.00 C +ATOM 336 OE1 GLN A 21 29.605 -3.888 7.457 1.00 0.00 O +ATOM 337 NE2 GLN A 21 31.622 -4.216 8.453 1.00 0.00 N +ATOM 338 H GLN A 21 30.508 -2.551 3.183 1.00 0.00 H +ATOM 339 HA GLN A 21 31.440 -2.428 5.910 1.00 0.00 H +ATOM 340 HB2 GLN A 21 30.012 -4.322 4.741 1.00 0.00 H +ATOM 341 HB3 GLN A 21 31.511 -4.917 4.105 1.00 0.00 H +ATOM 342 HG2 GLN A 21 30.807 -6.095 6.194 1.00 0.00 H +ATOM 343 HG3 GLN A 21 32.359 -5.320 6.382 1.00 0.00 H +ATOM 344 HE21 GLN A 21 32.526 -4.655 8.413 1.00 0.00 H +ATOM 345 HE22 GLN A 21 31.377 -3.676 9.250 1.00 0.00 H +ATOM 346 N ALA A 22 33.613 -2.248 3.666 1.00 0.00 N +ATOM 347 CA ALA A 22 35.037 -2.039 3.420 1.00 0.00 C +ATOM 348 C ALA A 22 35.475 -0.659 3.906 1.00 0.00 C +ATOM 349 O ALA A 22 36.661 -0.421 4.085 1.00 0.00 O +ATOM 350 CB ALA A 22 35.365 -2.128 1.928 1.00 0.00 C +ATOM 351 H ALA A 22 32.954 -1.822 3.048 1.00 0.00 H +ATOM 352 HA ALA A 22 35.593 -2.793 3.975 1.00 0.00 H +ATOM 353 HB1 ALA A 22 36.418 -1.912 1.743 1.00 0.00 H +ATOM 354 HB2 ALA A 22 34.777 -1.410 1.353 1.00 0.00 H +ATOM 355 HB3 ALA A 22 35.187 -3.134 1.550 1.00 0.00 H +ATOM 356 N TYR A 23 34.484 0.233 4.097 1.00 0.00 N +ATOM 357 CA TYR A 23 34.799 1.562 4.611 1.00 0.00 C +ATOM 358 C TYR A 23 34.755 1.511 6.134 1.00 0.00 C +ATOM 359 O TYR A 23 35.741 1.768 6.806 1.00 0.00 O +ATOM 360 CB TYR A 23 33.813 2.607 4.040 1.00 0.00 C +ATOM 361 CG TYR A 23 34.495 3.914 3.737 1.00 0.00 C +ATOM 362 CD1 TYR A 23 35.531 3.921 2.817 1.00 0.00 C +ATOM 363 CD2 TYR A 23 34.137 5.110 4.354 1.00 0.00 C +ATOM 364 CE1 TYR A 23 36.238 5.076 2.537 1.00 0.00 C +ATOM 365 CE2 TYR A 23 34.852 6.276 4.081 1.00 0.00 C +ATOM 366 CZ TYR A 23 35.915 6.254 3.192 1.00 0.00 C +ATOM 367 OH TYR A 23 36.657 7.398 2.978 1.00 0.00 O +ATOM 368 H TYR A 23 33.541 -0.018 3.875 1.00 0.00 H +ATOM 369 HA TYR A 23 35.832 1.783 4.329 1.00 0.00 H +ATOM 370 HB2 TYR A 23 33.398 2.230 3.107 1.00 0.00 H +ATOM 371 HB3 TYR A 23 32.959 2.779 4.694 1.00 0.00 H +ATOM 372 HD1 TYR A 23 35.754 2.999 2.299 1.00 0.00 H +ATOM 373 HD2 TYR A 23 33.323 5.134 5.069 1.00 0.00 H +ATOM 374 HE1 TYR A 23 37.041 5.045 1.814 1.00 0.00 H +ATOM 375 HE2 TYR A 23 34.606 7.204 4.575 1.00 0.00 H +ATOM 376 HH TYR A 23 36.282 7.886 2.262 1.00 0.00 H +ATOM 377 N PHE A 24 33.553 1.127 6.607 1.00 0.00 N +ATOM 378 CA PHE A 24 33.232 0.986 8.024 1.00 0.00 C +ATOM 379 C PHE A 24 34.165 -0.016 8.746 1.00 0.00 C +ATOM 380 O PHE A 24 34.486 0.179 9.914 1.00 0.00 O +ATOM 381 CB PHE A 24 31.766 0.526 8.161 1.00 0.00 C +ATOM 382 CG PHE A 24 30.762 1.654 8.143 1.00 0.00 C +ATOM 383 CD1 PHE A 24 30.695 2.566 7.089 1.00 0.00 C +ATOM 384 CD2 PHE A 24 29.866 1.792 9.198 1.00 0.00 C +ATOM 385 CE1 PHE A 24 29.762 3.593 7.102 1.00 0.00 C +ATOM 386 CE2 PHE A 24 28.933 2.818 9.217 1.00 0.00 C +ATOM 387 CZ PHE A 24 28.881 3.721 8.167 1.00 0.00 C +ATOM 388 H PHE A 24 32.830 0.959 5.940 1.00 0.00 H +ATOM 389 HA PHE A 24 33.369 1.970 8.474 1.00 0.00 H +ATOM 390 HB2 PHE A 24 31.517 -0.180 7.374 1.00 0.00 H +ATOM 391 HB3 PHE A 24 31.626 -0.042 9.081 1.00 0.00 H +ATOM 392 HD1 PHE A 24 31.359 2.477 6.244 1.00 0.00 H +ATOM 393 HD2 PHE A 24 29.889 1.086 10.014 1.00 0.00 H +ATOM 394 HE1 PHE A 24 29.716 4.296 6.283 1.00 0.00 H +ATOM 395 HE2 PHE A 24 28.248 2.911 10.047 1.00 0.00 H +ATOM 396 HZ PHE A 24 28.157 4.522 8.182 1.00 0.00 H +ATOM 397 N ALA A 25 34.589 -1.078 8.021 1.00 0.00 N +ATOM 398 CA ALA A 25 35.521 -2.037 8.621 1.00 0.00 C +ATOM 399 C ALA A 25 36.933 -1.445 8.728 1.00 0.00 C +ATOM 400 O ALA A 25 37.660 -1.731 9.673 1.00 0.00 O +ATOM 401 CB ALA A 25 35.581 -3.328 7.805 1.00 0.00 C +ATOM 402 H ALA A 25 34.306 -1.193 7.068 1.00 0.00 H +ATOM 403 HA ALA A 25 35.164 -2.267 9.628 1.00 0.00 H +ATOM 404 HB1 ALA A 25 35.905 -3.140 6.779 1.00 0.00 H +ATOM 405 HB2 ALA A 25 34.610 -3.821 7.805 1.00 0.00 H +ATOM 406 HB3 ALA A 25 36.282 -4.039 8.238 1.00 0.00 H +ATOM 407 N CYS A 26 37.271 -0.608 7.727 1.00 0.00 N +ATOM 408 CA CYS A 26 38.581 0.037 7.717 1.00 0.00 C +ATOM 409 C CYS A 26 38.572 1.374 8.481 1.00 0.00 C +ATOM 410 O CYS A 26 39.489 2.163 8.311 1.00 0.00 O +ATOM 411 CB CYS A 26 39.032 0.275 6.266 1.00 0.00 C +ATOM 412 SG CYS A 26 40.615 -0.527 5.910 1.00 0.00 S +ATOM 413 H CYS A 26 36.612 -0.441 6.991 1.00 0.00 H +ATOM 414 HA CYS A 26 39.282 -0.643 8.209 1.00 0.00 H +ATOM 415 HB2 CYS A 26 38.315 -0.193 5.609 1.00 0.00 H +ATOM 416 HB3 CYS A 26 39.037 1.337 5.982 1.00 0.00 H +ATOM 417 HG CYS A 26 40.393 -1.674 5.265 1.00 0.00 H +ATOM 418 N GLU A 27 37.509 1.607 9.294 1.00 0.00 N +ATOM 419 CA GLU A 27 37.318 2.883 9.994 1.00 0.00 C +ATOM 420 C GLU A 27 37.168 4.030 8.975 1.00 0.00 C +ATOM 421 O GLU A 27 38.018 4.900 8.852 1.00 0.00 O +ATOM 422 CB GLU A 27 38.436 3.121 11.040 1.00 0.00 C +ATOM 423 CG GLU A 27 38.522 4.568 11.573 1.00 0.00 C +ATOM 424 CD GLU A 27 39.290 4.679 12.896 1.00 0.00 C +ATOM 425 OE1 GLU A 27 38.884 4.047 13.867 1.00 0.00 O +ATOM 426 OE2 GLU A 27 40.285 5.408 12.944 1.00 0.00 O +ATOM 427 H GLU A 27 36.793 0.914 9.369 1.00 0.00 H +ATOM 428 HA GLU A 27 36.359 2.791 10.513 1.00 0.00 H +ATOM 429 HB2 GLU A 27 38.256 2.427 11.862 1.00 0.00 H +ATOM 430 HB3 GLU A 27 39.413 2.852 10.640 1.00 0.00 H +ATOM 431 HG2 GLU A 27 39.035 5.214 10.861 1.00 0.00 H +ATOM 432 HG3 GLU A 27 37.518 4.966 11.717 1.00 0.00 H +ATOM 433 N LYS A 28 36.021 3.974 8.278 1.00 0.00 N +ATOM 434 CA LYS A 28 35.558 4.956 7.297 1.00 0.00 C +ATOM 435 C LYS A 28 36.703 5.761 6.597 1.00 0.00 C +ATOM 436 O LYS A 28 36.665 6.981 6.494 1.00 0.00 O +ATOM 437 CB LYS A 28 34.500 5.894 7.929 1.00 0.00 C +ATOM 438 CG LYS A 28 33.718 5.282 9.103 1.00 0.00 C +ATOM 439 CD LYS A 28 34.456 5.397 10.444 1.00 0.00 C +ATOM 440 CE LYS A 28 34.106 6.640 11.271 1.00 0.00 C +ATOM 441 NZ LYS A 28 33.757 6.284 12.643 1.00 0.00 N +ATOM 442 H LYS A 28 35.419 3.195 8.467 1.00 0.00 H +ATOM 443 HA LYS A 28 35.076 4.302 6.574 1.00 0.00 H +ATOM 444 HB2 LYS A 28 34.929 6.841 8.258 1.00 0.00 H +ATOM 445 HB3 LYS A 28 33.785 6.166 7.156 1.00 0.00 H +ATOM 446 HG2 LYS A 28 32.769 5.796 9.200 1.00 0.00 H +ATOM 447 HG3 LYS A 28 33.459 4.240 8.900 1.00 0.00 H +ATOM 448 HD2 LYS A 28 34.240 4.491 11.013 1.00 0.00 H +ATOM 449 HD3 LYS A 28 35.530 5.433 10.284 1.00 0.00 H +ATOM 450 HE2 LYS A 28 34.958 7.322 11.297 1.00 0.00 H +ATOM 451 HE3 LYS A 28 33.273 7.203 10.849 1.00 0.00 H +ATOM 452 HZ1 LYS A 28 34.516 5.708 13.063 1.00 0.00 H +ATOM 453 HZ2 LYS A 28 32.880 5.727 12.636 1.00 0.00 H +ATOM 454 HZ3 LYS A 28 33.614 7.143 13.213 1.00 0.00 H +ATOM 455 N ASN A 29 37.737 4.997 6.176 1.00 0.00 N +ATOM 456 CA ASN A 29 38.997 5.617 5.757 1.00 0.00 C +ATOM 457 C ASN A 29 39.109 5.509 4.247 1.00 0.00 C +ATOM 458 O ASN A 29 38.762 4.496 3.680 1.00 0.00 O +ATOM 459 CB ASN A 29 40.186 4.867 6.401 1.00 0.00 C +ATOM 460 CG ASN A 29 40.981 5.772 7.348 1.00 0.00 C +ATOM 461 OD1 ASN A 29 41.697 6.673 6.919 1.00 0.00 O +ATOM 462 ND2 ASN A 29 40.794 5.496 8.650 1.00 0.00 N +ATOM 463 H ASN A 29 37.688 4.010 6.320 1.00 0.00 H +ATOM 464 HA ASN A 29 38.958 6.673 6.034 1.00 0.00 H +ATOM 465 HB2 ASN A 29 39.841 3.976 6.920 1.00 0.00 H +ATOM 466 HB3 ASN A 29 40.899 4.495 5.668 1.00 0.00 H +ATOM 467 HD21 ASN A 29 40.279 4.682 8.936 1.00 0.00 H +ATOM 468 HD22 ASN A 29 41.148 6.094 9.365 1.00 0.00 H +ATOM 469 N GLU A 30 39.622 6.599 3.635 1.00 0.00 N +ATOM 470 CA GLU A 30 39.728 6.623 2.180 1.00 0.00 C +ATOM 471 C GLU A 30 40.820 5.663 1.691 1.00 0.00 C +ATOM 472 O GLU A 30 40.564 4.763 0.898 1.00 0.00 O +ATOM 473 CB GLU A 30 39.993 8.056 1.681 1.00 0.00 C +ATOM 474 CG GLU A 30 38.785 8.641 0.939 1.00 0.00 C +ATOM 475 CD GLU A 30 39.122 9.673 -0.147 1.00 0.00 C +ATOM 476 OE1 GLU A 30 40.237 9.676 -0.670 1.00 0.00 O +ATOM 477 OE2 GLU A 30 38.240 10.467 -0.464 1.00 0.00 O +ATOM 478 H GLU A 30 39.975 7.360 4.179 1.00 0.00 H +ATOM 479 HA GLU A 30 38.788 6.259 1.770 1.00 0.00 H +ATOM 480 HB2 GLU A 30 40.265 8.714 2.507 1.00 0.00 H +ATOM 481 HB3 GLU A 30 40.844 8.049 1.005 1.00 0.00 H +ATOM 482 HG2 GLU A 30 38.204 7.852 0.464 1.00 0.00 H +ATOM 483 HG3 GLU A 30 38.142 9.143 1.654 1.00 0.00 H +ATOM 484 N ASN A 31 42.037 5.922 2.195 1.00 0.00 N +ATOM 485 CA ASN A 31 43.222 5.192 1.760 1.00 0.00 C +ATOM 486 C ASN A 31 43.141 3.708 2.149 1.00 0.00 C +ATOM 487 O ASN A 31 43.414 2.821 1.347 1.00 0.00 O +ATOM 488 CB ASN A 31 44.455 5.841 2.420 1.00 0.00 C +ATOM 489 CG ASN A 31 45.287 6.590 1.381 1.00 0.00 C +ATOM 490 OD1 ASN A 31 44.883 7.621 0.848 1.00 0.00 O +ATOM 491 ND2 ASN A 31 46.450 5.983 1.099 1.00 0.00 N +ATOM 492 H ASN A 31 42.116 6.647 2.881 1.00 0.00 H +ATOM 493 HA ASN A 31 43.242 5.254 0.667 1.00 0.00 H +ATOM 494 HB2 ASN A 31 44.161 6.556 3.188 1.00 0.00 H +ATOM 495 HB3 ASN A 31 45.085 5.111 2.934 1.00 0.00 H +ATOM 496 HD21 ASN A 31 46.744 5.172 1.615 1.00 0.00 H +ATOM 497 HD22 ASN A 31 47.028 6.322 0.364 1.00 0.00 H +ATOM 498 N LEU A 32 42.754 3.508 3.422 1.00 0.00 N +ATOM 499 CA LEU A 32 42.676 2.165 3.983 1.00 0.00 C +ATOM 500 C LEU A 32 41.560 1.335 3.321 1.00 0.00 C +ATOM 501 O LEU A 32 41.674 0.121 3.191 1.00 0.00 O +ATOM 502 CB LEU A 32 42.441 2.270 5.499 1.00 0.00 C +ATOM 503 CG LEU A 32 43.181 1.176 6.284 1.00 0.00 C +ATOM 504 CD1 LEU A 32 44.681 1.471 6.344 1.00 0.00 C +ATOM 505 CD2 LEU A 32 42.613 1.014 7.697 1.00 0.00 C +ATOM 506 H LEU A 32 42.562 4.304 3.999 1.00 0.00 H +ATOM 507 HA LEU A 32 43.634 1.689 3.761 1.00 0.00 H +ATOM 508 HB2 LEU A 32 42.760 3.245 5.866 1.00 0.00 H +ATOM 509 HB3 LEU A 32 41.372 2.245 5.717 1.00 0.00 H +ATOM 510 HG LEU A 32 43.053 0.226 5.763 1.00 0.00 H +ATOM 511 HD11 LEU A 32 45.207 0.712 6.922 1.00 0.00 H +ATOM 512 HD12 LEU A 32 44.867 2.436 6.814 1.00 0.00 H +ATOM 513 HD13 LEU A 32 45.114 1.501 5.346 1.00 0.00 H +ATOM 514 HD21 LEU A 32 42.807 0.004 8.057 1.00 0.00 H +ATOM 515 HD22 LEU A 32 41.537 1.155 7.701 1.00 0.00 H +ATOM 516 HD23 LEU A 32 43.034 1.731 8.403 1.00 0.00 H +ATOM 517 N ALA A 33 40.498 2.060 2.906 1.00 0.00 N +ATOM 518 CA ALA A 33 39.396 1.418 2.201 1.00 0.00 C +ATOM 519 C ALA A 33 39.785 1.015 0.788 1.00 0.00 C +ATOM 520 O ALA A 33 39.388 -0.045 0.342 1.00 0.00 O +ATOM 521 CB ALA A 33 38.198 2.334 2.108 1.00 0.00 C +ATOM 522 H ALA A 33 40.485 3.054 3.032 1.00 0.00 H +ATOM 523 HA ALA A 33 39.122 0.515 2.749 1.00 0.00 H +ATOM 524 HB1 ALA A 33 38.456 3.288 1.641 1.00 0.00 H +ATOM 525 HB2 ALA A 33 37.790 2.476 3.107 1.00 0.00 H +ATOM 526 HB3 ALA A 33 37.412 1.878 1.513 1.00 0.00 H +ATOM 527 N ALA A 34 40.597 1.867 0.127 1.00 0.00 N +ATOM 528 CA ALA A 34 41.151 1.514 -1.185 1.00 0.00 C +ATOM 529 C ALA A 34 42.288 0.469 -1.073 1.00 0.00 C +ATOM 530 O ALA A 34 42.978 0.167 -2.039 1.00 0.00 O +ATOM 531 CB ALA A 34 41.664 2.784 -1.868 1.00 0.00 C +ATOM 532 H ALA A 34 40.879 2.711 0.584 1.00 0.00 H +ATOM 533 HA ALA A 34 40.342 1.085 -1.782 1.00 0.00 H +ATOM 534 HB1 ALA A 34 42.519 3.220 -1.350 1.00 0.00 H +ATOM 535 HB2 ALA A 34 40.877 3.537 -1.891 1.00 0.00 H +ATOM 536 HB3 ALA A 34 41.957 2.581 -2.899 1.00 0.00 H +ATOM 537 N ASN A 35 42.424 -0.067 0.152 1.00 0.00 N +ATOM 538 CA ASN A 35 43.302 -1.182 0.442 1.00 0.00 C +ATOM 539 C ASN A 35 42.451 -2.402 0.849 1.00 0.00 C +ATOM 540 O ASN A 35 42.817 -3.540 0.595 1.00 0.00 O +ATOM 541 CB ASN A 35 44.251 -0.760 1.579 1.00 0.00 C +ATOM 542 CG ASN A 35 45.691 -0.963 1.106 1.00 0.00 C +ATOM 543 OD1 ASN A 35 46.115 -2.081 0.819 1.00 0.00 O +ATOM 544 ND2 ASN A 35 46.346 0.186 0.892 1.00 0.00 N +ATOM 545 H ASN A 35 41.875 0.287 0.905 1.00 0.00 H +ATOM 546 HA ASN A 35 43.836 -1.426 -0.483 1.00 0.00 H +ATOM 547 HB2 ASN A 35 44.082 0.282 1.864 1.00 0.00 H +ATOM 548 HB3 ASN A 35 44.097 -1.332 2.491 1.00 0.00 H +ATOM 549 HD21 ASN A 35 46.105 1.012 1.416 1.00 0.00 H +ATOM 550 HD22 ASN A 35 47.056 0.223 0.183 1.00 0.00 H +ATOM 551 N PHE A 36 41.291 -2.121 1.476 1.00 0.00 N +ATOM 552 CA PHE A 36 40.377 -3.220 1.808 1.00 0.00 C +ATOM 553 C PHE A 36 39.580 -3.650 0.541 1.00 0.00 C +ATOM 554 O PHE A 36 39.039 -4.741 0.429 1.00 0.00 O +ATOM 555 CB PHE A 36 39.433 -2.791 2.946 1.00 0.00 C +ATOM 556 CG PHE A 36 38.878 -3.973 3.704 1.00 0.00 C +ATOM 557 CD1 PHE A 36 37.867 -4.761 3.163 1.00 0.00 C +ATOM 558 CD2 PHE A 36 39.381 -4.298 4.961 1.00 0.00 C +ATOM 559 CE1 PHE A 36 37.378 -5.864 3.849 1.00 0.00 C +ATOM 560 CE2 PHE A 36 38.890 -5.395 5.655 1.00 0.00 C +ATOM 561 CZ PHE A 36 37.888 -6.182 5.098 1.00 0.00 C +ATOM 562 H PHE A 36 41.051 -1.169 1.667 1.00 0.00 H +ATOM 563 HA PHE A 36 41.013 -4.027 2.178 1.00 0.00 H +ATOM 564 HB2 PHE A 36 39.983 -2.166 3.644 1.00 0.00 H +ATOM 565 HB3 PHE A 36 38.616 -2.161 2.601 1.00 0.00 H +ATOM 566 HD1 PHE A 36 37.447 -4.522 2.198 1.00 0.00 H +ATOM 567 HD2 PHE A 36 40.158 -3.692 5.405 1.00 0.00 H +ATOM 568 HE1 PHE A 36 36.603 -6.473 3.405 1.00 0.00 H +ATOM 569 HE2 PHE A 36 39.286 -5.637 6.629 1.00 0.00 H +ATOM 570 HZ PHE A 36 37.508 -7.036 5.637 1.00 0.00 H +ATOM 571 N LEU A 37 39.533 -2.712 -0.410 1.00 0.00 N +ATOM 572 CA LEU A 37 38.769 -2.928 -1.626 1.00 0.00 C +ATOM 573 C LEU A 37 39.655 -3.528 -2.715 1.00 0.00 C +ATOM 574 O LEU A 37 39.199 -4.343 -3.512 1.00 0.00 O +ATOM 575 CB LEU A 37 38.189 -1.569 -2.027 1.00 0.00 C +ATOM 576 CG LEU A 37 36.873 -1.301 -1.281 1.00 0.00 C +ATOM 577 CD1 LEU A 37 36.754 0.082 -0.662 1.00 0.00 C +ATOM 578 CD2 LEU A 37 35.718 -1.539 -2.231 1.00 0.00 C +ATOM 579 H LEU A 37 40.009 -1.840 -0.302 1.00 0.00 H +ATOM 580 HA LEU A 37 37.963 -3.640 -1.435 1.00 0.00 H +ATOM 581 HB2 LEU A 37 38.917 -0.778 -1.864 1.00 0.00 H +ATOM 582 HB3 LEU A 37 37.999 -1.525 -3.097 1.00 0.00 H +ATOM 583 HG LEU A 37 36.767 -2.002 -0.449 1.00 0.00 H +ATOM 584 HD11 LEU A 37 36.993 0.019 0.396 1.00 0.00 H +ATOM 585 HD12 LEU A 37 35.726 0.442 -0.714 1.00 0.00 H +ATOM 586 HD13 LEU A 37 37.416 0.800 -1.144 1.00 0.00 H +ATOM 587 HD21 LEU A 37 35.809 -1.048 -3.201 1.00 0.00 H +ATOM 588 HD22 LEU A 37 34.802 -1.162 -1.785 1.00 0.00 H +ATOM 589 HD23 LEU A 37 35.656 -2.614 -2.396 1.00 0.00 H +ATOM 590 N LEU A 38 40.919 -3.062 -2.721 1.00 0.00 N +ATOM 591 CA LEU A 38 41.817 -3.341 -3.841 1.00 0.00 C +ATOM 592 C LEU A 38 42.950 -4.289 -3.423 1.00 0.00 C +ATOM 593 O LEU A 38 43.715 -4.739 -4.269 1.00 0.00 O +ATOM 594 CB LEU A 38 42.374 -2.027 -4.415 1.00 0.00 C +ATOM 595 CG LEU A 38 41.364 -0.867 -4.432 1.00 0.00 C +ATOM 596 CD1 LEU A 38 41.953 0.365 -5.112 1.00 0.00 C +ATOM 597 CD2 LEU A 38 40.059 -1.231 -5.106 1.00 0.00 C +ATOM 598 H LEU A 38 41.236 -2.452 -1.996 1.00 0.00 H +ATOM 599 HA LEU A 38 41.253 -3.827 -4.636 1.00 0.00 H +ATOM 600 HB2 LEU A 38 43.220 -1.705 -3.816 1.00 0.00 H +ATOM 601 HB3 LEU A 38 42.779 -2.202 -5.414 1.00 0.00 H +ATOM 602 HG LEU A 38 41.118 -0.604 -3.403 1.00 0.00 H +ATOM 603 HD11 LEU A 38 42.964 0.546 -4.756 1.00 0.00 H +ATOM 604 HD12 LEU A 38 41.341 1.234 -4.885 1.00 0.00 H +ATOM 605 HD13 LEU A 38 41.989 0.254 -6.198 1.00 0.00 H +ATOM 606 HD21 LEU A 38 40.139 -1.109 -6.188 1.00 0.00 H +ATOM 607 HD22 LEU A 38 39.252 -0.618 -4.696 1.00 0.00 H +ATOM 608 HD23 LEU A 38 39.794 -2.263 -4.929 1.00 0.00 H +ATOM 609 N SER A 39 43.021 -4.562 -2.099 1.00 0.00 N +ATOM 610 CA SER A 39 44.079 -5.420 -1.553 1.00 0.00 C +ATOM 611 C SER A 39 43.493 -6.606 -0.756 1.00 0.00 C +ATOM 612 O SER A 39 44.221 -7.527 -0.402 1.00 0.00 O +ATOM 613 CB SER A 39 45.067 -4.589 -0.707 1.00 0.00 C +ATOM 614 OG SER A 39 46.404 -5.023 -0.922 1.00 0.00 O +ATOM 615 H SER A 39 42.379 -4.128 -1.468 1.00 0.00 H +ATOM 616 HA SER A 39 44.622 -5.843 -2.395 1.00 0.00 H +ATOM 617 HB2 SER A 39 44.976 -3.535 -0.990 1.00 0.00 H +ATOM 618 HB3 SER A 39 44.834 -4.671 0.359 1.00 0.00 H +ATOM 619 HG SER A 39 47.024 -4.485 -0.434 1.00 0.00 H +ATOM 620 N GLN A 40 42.163 -6.543 -0.505 1.00 0.00 N +ATOM 621 CA GLN A 40 41.476 -7.611 0.232 1.00 0.00 C +ATOM 622 C GLN A 40 40.622 -8.466 -0.721 1.00 0.00 C +ATOM 623 O GLN A 40 39.606 -9.027 -0.323 1.00 0.00 O +ATOM 624 CB GLN A 40 40.593 -6.994 1.330 1.00 0.00 C +ATOM 625 CG GLN A 40 40.469 -7.800 2.626 1.00 0.00 C +ATOM 626 CD GLN A 40 41.815 -8.152 3.279 1.00 0.00 C +ATOM 627 OE1 GLN A 40 42.220 -9.310 3.322 1.00 0.00 O +ATOM 628 NE2 GLN A 40 42.429 -7.109 3.862 1.00 0.00 N +ATOM 629 H GLN A 40 41.637 -5.753 -0.820 1.00 0.00 H +ATOM 630 HA GLN A 40 42.239 -8.247 0.681 1.00 0.00 H +ATOM 631 HB2 GLN A 40 40.996 -6.017 1.580 1.00 0.00 H +ATOM 632 HB3 GLN A 40 39.574 -6.855 0.962 1.00 0.00 H +ATOM 633 HG2 GLN A 40 39.888 -7.226 3.349 1.00 0.00 H +ATOM 634 HG3 GLN A 40 39.922 -8.721 2.437 1.00 0.00 H +ATOM 635 HE21 GLN A 40 42.157 -6.174 3.611 1.00 0.00 H +ATOM 636 HE22 GLN A 40 43.146 -7.259 4.549 1.00 0.00 H +ATOM 637 N ASN A 41 41.092 -8.529 -1.988 1.00 0.00 N +ATOM 638 CA ASN A 41 40.425 -9.278 -3.057 1.00 0.00 C +ATOM 639 C ASN A 41 40.014 -10.700 -2.628 1.00 0.00 C +ATOM 640 O ASN A 41 38.866 -11.088 -2.807 1.00 0.00 O +ATOM 641 CB ASN A 41 41.368 -9.352 -4.275 1.00 0.00 C +ATOM 642 CG ASN A 41 40.627 -9.038 -5.580 1.00 0.00 C +ATOM 643 OD1 ASN A 41 39.609 -9.637 -5.916 1.00 0.00 O +ATOM 644 ND2 ASN A 41 41.198 -8.047 -6.287 1.00 0.00 N +ATOM 645 H ASN A 41 41.929 -8.029 -2.220 1.00 0.00 H +ATOM 646 HA ASN A 41 39.511 -8.720 -3.279 1.00 0.00 H +ATOM 647 HB2 ASN A 41 42.185 -8.642 -4.146 1.00 0.00 H +ATOM 648 HB3 ASN A 41 41.855 -10.322 -4.385 1.00 0.00 H +ATOM 649 HD21 ASN A 41 42.042 -7.603 -5.970 1.00 0.00 H +ATOM 650 HD22 ASN A 41 40.791 -7.735 -7.137 1.00 0.00 H +ATOM 651 N PHE A 42 41.010 -11.414 -2.044 1.00 0.00 N +ATOM 652 CA PHE A 42 40.848 -12.746 -1.444 1.00 0.00 C +ATOM 653 C PHE A 42 39.701 -12.762 -0.411 1.00 0.00 C +ATOM 654 O PHE A 42 39.888 -12.490 0.771 1.00 0.00 O +ATOM 655 CB PHE A 42 42.170 -13.143 -0.754 1.00 0.00 C +ATOM 656 CG PHE A 42 43.001 -14.100 -1.564 1.00 0.00 C +ATOM 657 CD1 PHE A 42 43.540 -13.720 -2.789 1.00 0.00 C +ATOM 658 CD2 PHE A 42 43.248 -15.383 -1.084 1.00 0.00 C +ATOM 659 CE1 PHE A 42 44.312 -14.609 -3.524 1.00 0.00 C +ATOM 660 CE2 PHE A 42 44.020 -16.274 -1.815 1.00 0.00 C +ATOM 661 CZ PHE A 42 44.552 -15.887 -3.036 1.00 0.00 C +ATOM 662 H PHE A 42 41.916 -10.986 -2.028 1.00 0.00 H +ATOM 663 HA PHE A 42 40.603 -13.439 -2.251 1.00 0.00 H +ATOM 664 HB2 PHE A 42 42.758 -12.250 -0.549 1.00 0.00 H +ATOM 665 HB3 PHE A 42 42.003 -13.600 0.222 1.00 0.00 H +ATOM 666 HD1 PHE A 42 43.363 -12.725 -3.171 1.00 0.00 H +ATOM 667 HD2 PHE A 42 42.843 -15.690 -0.132 1.00 0.00 H +ATOM 668 HE1 PHE A 42 44.731 -14.308 -4.472 1.00 0.00 H +ATOM 669 HE2 PHE A 42 44.211 -17.266 -1.431 1.00 0.00 H +ATOM 670 HZ PHE A 42 45.154 -16.578 -3.603 1.00 0.00 H +ATOM 671 N ASP A 43 38.515 -13.097 -0.960 1.00 0.00 N +ATOM 672 CA ASP A 43 37.271 -13.107 -0.207 1.00 0.00 C +ATOM 673 C ASP A 43 36.127 -13.432 -1.180 1.00 0.00 C +ATOM 674 O ASP A 43 36.021 -12.885 -2.269 1.00 0.00 O +ATOM 675 CB ASP A 43 37.011 -11.737 0.497 1.00 0.00 C +ATOM 676 CG ASP A 43 36.764 -11.859 2.018 1.00 0.00 C +ATOM 677 OD1 ASP A 43 36.430 -12.941 2.496 1.00 0.00 O +ATOM 678 OD2 ASP A 43 36.913 -10.851 2.713 1.00 0.00 O +ATOM 679 H ASP A 43 38.489 -13.301 -1.939 1.00 0.00 H +ATOM 680 HA ASP A 43 37.377 -13.944 0.488 1.00 0.00 H +ATOM 681 HB2 ASP A 43 37.842 -11.052 0.348 1.00 0.00 H +ATOM 682 HB3 ASP A 43 36.181 -11.181 0.061 1.00 0.00 H +ATOM 683 N ASP A 44 35.280 -14.352 -0.695 1.00 0.00 N +ATOM 684 CA ASP A 44 34.073 -14.726 -1.427 1.00 0.00 C +ATOM 685 C ASP A 44 32.887 -14.351 -0.548 1.00 0.00 C +ATOM 686 O ASP A 44 33.001 -14.363 0.667 1.00 0.00 O +ATOM 687 CB ASP A 44 34.120 -16.252 -1.690 1.00 0.00 C +ATOM 688 CG ASP A 44 33.958 -16.620 -3.176 1.00 0.00 C +ATOM 689 OD1 ASP A 44 34.405 -15.856 -4.027 1.00 0.00 O +ATOM 690 OD2 ASP A 44 33.392 -17.677 -3.465 1.00 0.00 O +ATOM 691 H ASP A 44 35.490 -14.730 0.208 1.00 0.00 H +ATOM 692 HA ASP A 44 33.990 -14.113 -2.331 1.00 0.00 H +ATOM 693 HB2 ASP A 44 35.080 -16.649 -1.363 1.00 0.00 H +ATOM 694 HB3 ASP A 44 33.388 -16.803 -1.100 1.00 0.00 H +ATOM 695 N GLU A 45 31.775 -14.014 -1.243 1.00 0.00 N +ATOM 696 CA GLU A 45 30.471 -13.663 -0.646 1.00 0.00 C +ATOM 697 C GLU A 45 30.569 -12.525 0.420 1.00 0.00 C +ATOM 698 O GLU A 45 31.800 -12.354 0.713 1.00 0.00 O +ATOM 699 CB GLU A 45 29.701 -14.908 -0.149 1.00 0.00 C +ATOM 700 CG GLU A 45 30.372 -15.649 1.016 1.00 0.00 C +ATOM 701 CD GLU A 45 29.409 -16.529 1.837 1.00 0.00 C +ATOM 702 OE1 GLU A 45 28.254 -16.710 1.448 1.00 0.00 O +ATOM 703 OE2 GLU A 45 29.839 -17.022 2.879 1.00 0.00 O +ATOM 704 OXT GLU A 45 29.663 -12.315 1.043 1.00 0.00 O +ATOM 705 H GLU A 45 31.861 -14.037 -2.239 1.00 0.00 H +ATOM 706 HA GLU A 45 29.901 -13.267 -1.485 1.00 0.00 H +ATOM 707 HB2 GLU A 45 28.696 -14.594 0.131 1.00 0.00 H +ATOM 708 HB3 GLU A 45 29.531 -15.625 -0.953 1.00 0.00 H +ATOM 709 HG2 GLU A 45 31.175 -16.270 0.621 1.00 0.00 H +ATOM 710 HG3 GLU A 45 30.833 -14.942 1.704 1.00 0.00 H Added: SwiftApps/modFTdock/input/indata/1j0w-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1j0w-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1j0w-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,790 @@ +ATOM 1 N GLN A 9 48.290 25.092 30.264 1.00 78.87 N +ATOM 2 CA GLN A 9 48.714 23.665 30.176 1.00 78.72 C +ATOM 3 C GLN A 9 48.618 23.214 28.682 1.00 78.28 C +ATOM 4 O GLN A 9 48.566 24.063 27.771 1.00 78.12 O +ATOM 5 CB GLN A 9 47.793 22.825 31.090 1.00 79.81 C +ATOM 6 CG GLN A 9 48.287 21.404 31.434 1.00 81.54 C +ATOM 7 CD GLN A 9 47.207 20.333 31.221 1.00 82.93 C +ATOM 8 OE1 GLN A 9 46.698 20.172 30.101 1.00 83.16 O +ATOM 9 NE2 GLN A 9 46.857 19.593 32.293 1.00 82.80 N +ATOM 10 N SER A 10 48.603 21.890 28.461 1.00 76.27 N +ATOM 11 CA SER A 10 48.497 21.194 27.151 1.00 72.91 C +ATOM 12 C SER A 10 48.321 21.938 25.787 1.00 70.84 C +ATOM 13 O SER A 10 48.221 23.186 25.722 1.00 71.02 O +ATOM 14 CB SER A 10 47.371 20.135 27.257 1.00 73.04 C +ATOM 15 OG SER A 10 47.616 19.147 28.256 1.00 71.38 O +ATOM 16 N GLU A 11 48.326 21.116 24.715 1.00 67.42 N +ATOM 17 CA GLU A 11 48.104 21.480 23.284 1.00 63.57 C +ATOM 18 C GLU A 11 46.776 20.762 22.953 1.00 59.45 C +ATOM 19 O GLU A 11 45.938 21.299 22.251 1.00 59.29 O +ATOM 20 CB GLU A 11 49.204 20.930 22.354 1.00 64.78 C +ATOM 21 CG GLU A 11 48.771 20.599 20.889 1.00 66.21 C +ATOM 22 CD GLU A 11 48.640 21.849 20.008 1.00 69.86 C +ATOM 23 OE1 GLU A 11 48.734 21.751 18.753 1.00 69.51 O +ATOM 24 OE2 GLU A 11 48.437 22.950 20.577 1.00 72.00 O +ATOM 25 N ARG A 12 46.625 19.531 23.432 1.00 54.34 N +ATOM 26 CA ARG A 12 45.377 18.787 23.289 1.00 50.83 C +ATOM 27 C ARG A 12 44.883 18.652 24.725 1.00 48.55 C +ATOM 28 O ARG A 12 45.641 18.221 25.599 1.00 47.37 O +ATOM 29 CB ARG A 12 45.604 17.390 22.711 1.00 50.73 C +ATOM 30 CG ARG A 12 45.857 17.393 21.244 1.00 49.63 C +ATOM 31 CD ARG A 12 45.592 16.047 20.656 1.00 51.56 C +ATOM 32 NE ARG A 12 45.950 16.018 19.235 1.00 51.89 N +ATOM 33 CZ ARG A 12 45.700 14.996 18.430 1.00 51.45 C +ATOM 34 NH1 ARG A 12 45.069 13.914 18.910 1.00 49.79 N +ATOM 35 NH2 ARG A 12 46.113 15.044 17.162 1.00 50.88 N +ATOM 36 N PHE A 13 43.628 19.016 24.981 1.00 46.40 N +ATOM 37 CA PHE A 13 43.074 18.951 26.330 1.00 42.89 C +ATOM 38 C PHE A 13 42.094 17.844 26.436 1.00 43.90 C +ATOM 39 O PHE A 13 41.187 17.780 25.608 1.00 45.00 O +ATOM 40 CB PHE A 13 42.371 20.242 26.638 1.00 40.65 C +ATOM 41 CG PHE A 13 43.301 21.399 26.764 1.00 41.38 C +ATOM 42 CD1 PHE A 13 43.455 22.299 25.720 1.00 42.40 C +ATOM 43 CD2 PHE A 13 44.064 21.570 27.926 1.00 40.63 C +ATOM 44 CE1 PHE A 13 44.358 23.365 25.830 1.00 43.85 C +ATOM 45 CE2 PHE A 13 44.971 22.625 28.059 1.00 40.48 C +ATOM 46 CZ PHE A 13 45.121 23.526 27.017 1.00 42.75 C +ATOM 47 N ASN A 14 42.262 16.953 27.418 1.00 44.27 N +ATOM 48 CA ASN A 14 41.300 15.849 27.608 1.00 44.70 C +ATOM 49 C ASN A 14 40.034 16.374 28.267 1.00 43.70 C +ATOM 50 O ASN A 14 40.095 16.950 29.349 1.00 44.60 O +ATOM 51 CB ASN A 14 41.874 14.763 28.500 1.00 45.05 C +ATOM 52 CG ASN A 14 43.079 14.090 27.880 1.00 47.25 C +ATOM 53 OD1 ASN A 14 42.977 13.429 26.806 1.00 45.51 O +ATOM 54 ND2 ASN A 14 44.249 14.255 28.540 1.00 46.00 N +ATOM 55 N VAL A 15 38.892 16.104 27.644 1.00 41.29 N +ATOM 56 CA VAL A 15 37.618 16.611 28.115 1.00 37.95 C +ATOM 57 C VAL A 15 36.579 15.534 27.861 1.00 37.04 C +ATOM 58 O VAL A 15 36.886 14.507 27.268 1.00 37.54 O +ATOM 59 CB VAL A 15 37.234 17.849 27.292 1.00 37.71 C +ATOM 60 CG1 VAL A 15 38.412 18.777 27.137 1.00 36.94 C +ATOM 61 CG2 VAL A 15 36.828 17.426 25.921 1.00 37.00 C +ATOM 62 N TYR A 16 35.339 15.799 28.251 1.00 34.82 N +ATOM 63 CA TYR A 16 34.265 14.843 28.104 1.00 32.53 C +ATOM 64 C TYR A 16 33.063 15.612 27.552 1.00 33.21 C +ATOM 65 O TYR A 16 32.403 16.362 28.249 1.00 34.18 O +ATOM 66 CB TYR A 16 33.950 14.254 29.479 1.00 30.13 C +ATOM 67 CG TYR A 16 32.817 13.291 29.481 1.00 29.09 C +ATOM 68 CD1 TYR A 16 33.035 11.929 29.610 1.00 29.50 C +ATOM 69 CD2 TYR A 16 31.521 13.723 29.210 1.00 31.79 C +ATOM 70 CE1 TYR A 16 32.015 11.015 29.460 1.00 30.47 C +ATOM 71 CE2 TYR A 16 30.479 12.813 29.045 1.00 32.42 C +ATOM 72 CZ TYR A 16 30.743 11.457 29.168 1.00 33.29 C +ATOM 73 OH TYR A 16 29.712 10.554 28.950 1.00 35.60 O +ATOM 74 N LEU A 17 32.769 15.416 26.284 1.00 34.07 N +ATOM 75 CA LEU A 17 31.673 16.103 25.627 1.00 33.53 C +ATOM 76 C LEU A 17 30.322 15.528 26.018 1.00 35.15 C +ATOM 77 O LEU A 17 30.035 14.343 25.792 1.00 36.02 O +ATOM 78 CB LEU A 17 31.875 15.980 24.128 1.00 30.14 C +ATOM 79 CG LEU A 17 30.751 16.495 23.252 1.00 31.75 C +ATOM 80 CD1 LEU A 17 30.499 18.001 23.503 1.00 29.97 C +ATOM 81 CD2 LEU A 17 31.144 16.238 21.787 1.00 31.65 C +ATOM 90 N PRO A 19 26.433 14.726 25.718 1.00 39.20 N +ATOM 91 CA PRO A 19 25.609 14.442 24.527 1.00 40.15 C +ATOM 92 C PRO A 19 24.917 15.739 24.076 1.00 42.95 C +ATOM 93 O PRO A 19 24.424 16.514 24.903 1.00 44.93 O +ATOM 94 CB PRO A 19 24.594 13.432 25.036 1.00 38.70 C +ATOM 95 CG PRO A 19 25.280 12.778 26.179 1.00 37.69 C +ATOM 96 CD PRO A 19 26.093 13.839 26.843 1.00 36.84 C +ATOM 97 N SER A 20 24.872 15.995 22.779 1.00 45.67 N +ATOM 98 CA SER A 20 24.242 17.212 22.283 1.00 47.85 C +ATOM 99 C SER A 20 23.382 16.819 21.104 1.00 50.90 C +ATOM 100 O SER A 20 23.731 15.892 20.386 1.00 53.50 O +ATOM 101 CB SER A 20 25.293 18.156 21.775 1.00 45.62 C +ATOM 102 OG SER A 20 25.841 17.535 20.650 1.00 43.17 O +ATOM 103 N PRO A 21 22.266 17.533 20.866 1.00 53.55 N +ATOM 104 CA PRO A 21 21.366 17.225 19.743 1.00 54.68 C +ATOM 105 C PRO A 21 21.931 17.405 18.333 1.00 55.69 C +ATOM 106 O PRO A 21 21.448 16.771 17.394 1.00 57.46 O +ATOM 107 CB PRO A 21 20.201 18.174 19.976 1.00 55.32 C +ATOM 108 CG PRO A 21 20.896 19.424 20.590 1.00 53.83 C +ATOM 109 CD PRO A 21 21.794 18.731 21.608 1.00 54.28 C +ATOM 110 N ASN A 22 22.950 18.239 18.175 1.00 55.96 N +ATOM 111 CA ASN A 22 23.512 18.526 16.843 1.00 57.31 C +ATOM 112 C ASN A 22 24.701 17.685 16.458 1.00 57.50 C +ATOM 113 O ASN A 22 25.060 17.588 15.292 1.00 58.45 O +ATOM 114 CB ASN A 22 23.950 20.000 16.755 1.00 58.26 C +ATOM 115 CG ASN A 22 22.788 20.980 16.910 1.00 60.71 C +ATOM 116 OD1 ASN A 22 22.995 22.148 17.276 1.00 62.81 O +ATOM 117 ND2 ASN A 22 21.562 20.520 16.616 1.00 61.07 N +ATOM 118 N LEU A 23 25.347 17.106 17.444 1.00 57.94 N +ATOM 119 CA LEU A 23 26.522 16.298 17.191 1.00 57.88 C +ATOM 120 C LEU A 23 26.111 14.884 17.635 1.00 58.41 C +ATOM 121 O LEU A 23 25.358 14.739 18.597 1.00 58.23 O +ATOM 122 CB LEU A 23 27.656 16.867 18.042 1.00 57.34 C +ATOM 123 CG LEU A 23 29.081 16.596 17.625 1.00 58.09 C +ATOM 124 CD1 LEU A 23 29.204 17.046 16.197 1.00 58.54 C +ATOM 125 CD2 LEU A 23 30.083 17.334 18.520 1.00 57.72 C +ATOM 126 N ASP A 24 26.564 13.844 16.951 1.00 59.09 N +ATOM 127 CA ASP A 24 26.169 12.515 17.368 1.00 60.44 C +ATOM 128 C ASP A 24 27.312 11.826 18.093 1.00 60.26 C +ATOM 129 O ASP A 24 27.324 10.600 18.319 1.00 61.13 O +ATOM 130 CB ASP A 24 25.706 11.693 16.174 1.00 64.01 C +ATOM 131 CG ASP A 24 25.331 10.264 16.564 1.00 67.84 C +ATOM 132 OD1 ASP A 24 24.678 10.069 17.633 1.00 68.65 O +ATOM 133 OD2 ASP A 24 25.691 9.329 15.796 1.00 70.98 O +ATOM 134 N VAL A 25 28.291 12.631 18.471 1.00 58.34 N +ATOM 135 CA VAL A 25 29.413 12.094 19.212 1.00 56.09 C +ATOM 136 C VAL A 25 29.425 12.721 20.613 1.00 53.68 C +ATOM 137 O VAL A 25 29.088 13.892 20.775 1.00 51.58 O +ATOM 138 CB VAL A 25 30.765 12.410 18.507 1.00 56.63 C +ATOM 139 CG1 VAL A 25 31.061 13.905 18.555 1.00 56.60 C +ATOM 140 CG2 VAL A 25 31.885 11.634 19.176 1.00 56.68 C +ATOM 141 N HIS A 26 29.790 11.914 21.609 1.00 51.28 N +ATOM 142 CA HIS A 26 29.910 12.372 22.981 1.00 49.37 C +ATOM 143 C HIS A 26 30.945 11.505 23.681 1.00 47.03 C +ATOM 144 O HIS A 26 31.516 10.607 23.069 1.00 47.07 O +ATOM 145 CB HIS A 26 28.592 12.272 23.722 1.00 50.00 C +ATOM 146 CG HIS A 26 28.265 10.895 24.181 1.00 52.71 C +ATOM 147 ND1 HIS A 26 27.793 9.917 23.327 1.00 53.17 N +ATOM 148 CD2 HIS A 26 28.317 10.329 25.417 1.00 54.05 C +ATOM 149 CE1 HIS A 26 27.563 8.809 24.019 1.00 55.26 C +ATOM 150 NE2 HIS A 26 27.873 9.034 25.289 1.00 55.96 N +ATOM 151 N GLY A 27 31.198 11.795 24.951 1.00 44.32 N +ATOM 152 CA GLY A 27 32.150 11.011 25.712 1.00 40.84 C +ATOM 153 C GLY A 27 33.476 11.697 25.626 1.00 38.30 C +ATOM 154 O GLY A 27 33.524 12.849 25.202 1.00 35.18 O +ATOM 155 N GLU A 28 34.548 11.008 26.022 1.00 37.83 N +ATOM 156 CA GLU A 28 35.876 11.623 25.976 1.00 38.50 C +ATOM 157 C GLU A 28 36.437 11.896 24.614 1.00 36.89 C +ATOM 158 O GLU A 28 36.219 11.153 23.650 1.00 37.56 O +ATOM 159 CB GLU A 28 36.913 10.799 26.733 1.00 40.42 C +ATOM 160 CG GLU A 28 37.154 9.417 26.218 1.00 44.84 C +ATOM 161 CD GLU A 28 38.231 8.679 27.073 1.00 50.12 C +ATOM 162 OE1 GLU A 28 38.254 7.417 27.096 1.00 53.15 O +ATOM 163 OE2 GLU A 28 39.062 9.349 27.733 1.00 50.17 O +ATOM 164 N CYS A 29 37.176 12.979 24.540 1.00 35.48 N +ATOM 165 CA CYS A 29 37.827 13.351 23.315 1.00 36.58 C +ATOM 166 C CYS A 29 38.859 14.371 23.723 1.00 37.30 C +ATOM 167 O CYS A 29 38.996 14.693 24.906 1.00 38.17 O +ATOM 168 CB CYS A 29 36.845 13.894 22.289 1.00 36.42 C +ATOM 169 SG CYS A 29 35.747 15.038 22.994 1.00 36.58 S +ATOM 170 N ALA A 30 39.635 14.850 22.782 1.00 37.32 N +ATOM 171 CA ALA A 30 40.680 15.747 23.176 1.00 38.78 C +ATOM 172 C ALA A 30 40.451 17.048 22.456 1.00 38.73 C +ATOM 173 O ALA A 30 40.425 17.058 21.232 1.00 39.15 O +ATOM 174 CB ALA A 30 42.059 15.122 22.794 1.00 37.88 C +ATOM 175 N LEU A 31 40.304 18.146 23.193 1.00 39.12 N +ATOM 176 CA LEU A 31 40.058 19.418 22.542 1.00 40.35 C +ATOM 177 C LEU A 31 41.338 20.138 22.130 1.00 42.50 C +ATOM 178 O LEU A 31 42.358 20.059 22.812 1.00 44.12 O +ATOM 179 CB LEU A 31 39.193 20.272 23.440 1.00 39.60 C +ATOM 180 CG LEU A 31 38.780 21.652 22.964 1.00 40.26 C +ATOM 181 CD1 LEU A 31 37.560 22.135 23.753 1.00 40.99 C +ATOM 182 CD2 LEU A 31 39.963 22.590 23.218 1.00 39.71 C +ATOM 183 N GLN A 32 41.325 20.807 20.978 1.00 44.26 N +ATOM 184 CA GLN A 32 42.532 21.504 20.555 1.00 44.95 C +ATOM 185 C GLN A 32 42.205 22.789 19.864 1.00 45.32 C +ATOM 186 O GLN A 32 41.278 22.868 19.059 1.00 44.44 O +ATOM 187 CB GLN A 32 43.386 20.647 19.618 1.00 45.85 C +ATOM 188 CG GLN A 32 44.654 21.359 19.154 1.00 48.11 C +ATOM 189 CD GLN A 32 45.464 20.521 18.165 1.00 49.63 C +ATOM 190 OE1 GLN A 32 45.113 20.421 16.984 1.00 50.55 O +ATOM 191 NE2 GLN A 32 46.544 19.911 18.647 1.00 49.21 N +ATOM 192 N ILE A 33 42.979 23.806 20.193 1.00 46.64 N +ATOM 193 CA ILE A 33 42.776 25.091 19.593 1.00 48.06 C +ATOM 194 C ILE A 33 43.921 25.365 18.631 1.00 50.40 C +ATOM 195 O ILE A 33 45.085 25.409 19.035 1.00 50.95 O +ATOM 196 CB ILE A 33 42.775 26.179 20.637 1.00 46.33 C +ATOM 197 CG1 ILE A 33 41.478 26.132 21.455 1.00 47.68 C +ATOM 198 CG2 ILE A 33 42.902 27.501 19.970 1.00 46.05 C +ATOM 199 CD1 ILE A 33 41.477 25.113 22.517 1.00 46.03 C +ATOM 200 N THR A 34 43.609 25.545 17.359 1.00 52.60 N +ATOM 201 CA THR A 34 44.664 25.843 16.419 1.00 55.57 C +ATOM 202 C THR A 34 44.587 27.338 16.084 1.00 57.47 C +ATOM 203 O THR A 34 43.784 28.090 16.630 1.00 58.08 O +ATOM 204 CB THR A 34 44.535 25.003 15.104 1.00 55.44 C +ATOM 205 OG1 THR A 34 43.398 25.456 14.349 1.00 56.50 O +ATOM 206 CG2 THR A 34 44.368 23.547 15.417 1.00 54.43 C +ATOM 207 N TYR A 35 45.442 27.759 15.174 1.00 59.57 N +ATOM 208 CA TYR A 35 45.474 29.125 14.747 1.00 60.71 C +ATOM 209 C TYR A 35 44.050 29.554 14.422 1.00 60.99 C +ATOM 210 O TYR A 35 43.605 30.647 14.787 1.00 62.36 O +ATOM 211 CB TYR A 35 46.337 29.224 13.473 1.00 63.31 C +ATOM 212 CG TYR A 35 46.658 30.638 13.151 1.00 67.51 C +ATOM 213 CD1 TYR A 35 47.390 31.402 14.066 1.00 69.87 C +ATOM 214 CD2 TYR A 35 46.066 31.289 12.061 1.00 69.04 C +ATOM 215 CE1 TYR A 35 47.505 32.782 13.936 1.00 71.23 C +ATOM 216 CE2 TYR A 35 46.174 32.693 11.912 1.00 71.16 C +ATOM 217 CZ TYR A 35 46.890 33.428 12.873 1.00 72.11 C +ATOM 218 OH TYR A 35 46.934 34.811 12.862 1.00 74.01 O +ATOM 219 N GLU A 36 43.315 28.649 13.782 1.00 60.00 N +ATOM 220 CA GLU A 36 41.995 28.970 13.277 1.00 58.46 C +ATOM 221 C GLU A 36 40.746 28.275 13.774 1.00 57.19 C +ATOM 222 O GLU A 36 39.642 28.742 13.497 1.00 55.91 O +ATOM 223 CB GLU A 36 42.069 28.774 11.790 1.00 60.90 C +ATOM 224 CG GLU A 36 41.049 29.508 10.992 1.00 65.01 C +ATOM 225 CD GLU A 36 41.700 30.121 9.763 1.00 67.01 C +ATOM 226 OE1 GLU A 36 41.983 31.347 9.817 1.00 66.83 O +ATOM 227 OE2 GLU A 36 41.948 29.370 8.773 1.00 66.68 O +ATOM 228 N TYR A 37 40.898 27.158 14.486 1.00 55.98 N +ATOM 229 CA TYR A 37 39.726 26.414 14.942 1.00 53.61 C +ATOM 230 C TYR A 37 39.886 25.763 16.294 1.00 52.69 C +ATOM 231 O TYR A 37 40.988 25.736 16.869 1.00 52.53 O +ATOM 232 CB TYR A 37 39.431 25.234 14.019 1.00 53.71 C +ATOM 233 CG TYR A 37 39.199 25.477 12.551 1.00 55.76 C +ATOM 234 CD1 TYR A 37 40.258 25.757 11.688 1.00 56.44 C +ATOM 235 CD2 TYR A 37 37.920 25.302 11.995 1.00 57.29 C +ATOM 236 CE1 TYR A 37 40.058 25.846 10.313 1.00 57.55 C +ATOM 237 CE2 TYR A 37 37.704 25.389 10.612 1.00 57.35 C +ATOM 238 CZ TYR A 37 38.780 25.661 9.777 1.00 58.21 C +ATOM 239 OH TYR A 37 38.578 25.755 8.401 1.00 61.13 O +ATOM 240 N ILE A 38 38.765 25.199 16.759 1.00 50.87 N +ATOM 241 CA ILE A 38 38.725 24.374 17.966 1.00 49.69 C +ATOM 242 C ILE A 38 38.494 23.007 17.334 1.00 47.77 C +ATOM 243 O ILE A 38 37.577 22.875 16.518 1.00 47.24 O +ATOM 244 CB ILE A 38 37.493 24.586 18.804 1.00 50.96 C +ATOM 245 CG1 ILE A 38 37.522 25.936 19.460 1.00 51.29 C +ATOM 246 CG2 ILE A 38 37.386 23.484 19.863 1.00 51.23 C +ATOM 247 CD1 ILE A 38 36.214 26.172 20.136 1.00 50.99 C +ATOM 248 N CYS A 39 39.288 22.003 17.690 1.00 47.54 N +ATOM 249 CA CYS A 39 39.119 20.655 17.123 1.00 47.85 C +ATOM 250 C CYS A 39 38.866 19.641 18.205 1.00 46.46 C +ATOM 251 O CYS A 39 39.385 19.756 19.303 1.00 44.66 O +ATOM 252 CB CYS A 39 40.387 20.182 16.405 1.00 51.05 C +ATOM 253 SG CYS A 39 41.125 21.324 15.238 1.00 60.50 S +ATOM 254 N LEU A 40 38.097 18.617 17.879 1.00 46.56 N +ATOM 255 CA LEU A 40 37.865 17.547 18.842 1.00 45.98 C +ATOM 256 C LEU A 40 38.469 16.310 18.245 1.00 46.23 C +ATOM 257 O LEU A 40 38.001 15.852 17.186 1.00 46.29 O +ATOM 258 CB LEU A 40 36.381 17.269 19.046 1.00 46.05 C +ATOM 259 CG LEU A 40 35.668 18.373 19.787 1.00 45.44 C +ATOM 260 CD1 LEU A 40 34.318 17.883 20.245 1.00 45.08 C +ATOM 261 CD2 LEU A 40 36.532 18.749 20.991 1.00 44.81 C +ATOM 262 N TRP A 41 39.502 15.771 18.888 1.00 44.93 N +ATOM 263 CA TRP A 41 40.098 14.546 18.405 1.00 44.44 C +ATOM 264 C TRP A 41 39.604 13.400 19.260 1.00 45.48 C +ATOM 265 O TRP A 41 39.313 13.569 20.451 1.00 45.60 O +ATOM 266 CB TRP A 41 41.602 14.566 18.526 1.00 44.32 C +ATOM 267 CG TRP A 41 42.291 15.554 17.671 1.00 44.89 C +ATOM 268 CD1 TRP A 41 42.545 16.859 17.973 1.00 44.42 C +ATOM 269 CD2 TRP A 41 42.843 15.324 16.372 1.00 44.75 C +ATOM 270 NE1 TRP A 41 43.227 17.460 16.953 1.00 44.94 N +ATOM 271 CE2 TRP A 41 43.429 16.547 15.949 1.00 45.45 C +ATOM 272 CE3 TRP A 41 42.903 14.206 15.522 1.00 45.75 C +ATOM 273 CZ2 TRP A 41 44.067 16.698 14.693 1.00 44.46 C +ATOM 274 CZ3 TRP A 41 43.538 14.350 14.260 1.00 46.89 C +ATOM 275 CH2 TRP A 41 44.112 15.596 13.869 1.00 46.26 C +ATOM 276 N ASP A 42 39.518 12.228 18.650 1.00 46.05 N +ATOM 277 CA ASP A 42 39.121 11.020 19.353 1.00 46.64 C +ATOM 278 C ASP A 42 40.259 10.725 20.312 1.00 47.29 C +ATOM 279 O ASP A 42 41.416 11.085 20.063 1.00 46.62 O +ATOM 280 CB ASP A 42 39.005 9.897 18.353 1.00 47.09 C +ATOM 281 CG ASP A 42 38.302 8.714 18.899 1.00 48.57 C +ATOM 282 OD1 ASP A 42 38.983 7.742 19.320 1.00 51.98 O +ATOM 283 OD2 ASP A 42 37.052 8.741 18.906 1.00 50.08 O +ATOM 284 N VAL A 43 39.967 10.084 21.431 1.00 49.22 N +ATOM 285 CA VAL A 43 41.068 9.773 22.349 1.00 48.62 C +ATOM 286 C VAL A 43 41.513 8.320 22.150 1.00 48.70 C +ATOM 287 O VAL A 43 42.729 8.012 22.277 1.00 48.64 O +ATOM 288 CB VAL A 43 40.673 10.042 23.825 1.00 49.35 C +ATOM 289 CG1 VAL A 43 41.524 9.187 24.766 1.00 49.03 C +ATOM 290 CG2 VAL A 43 40.942 11.551 24.155 1.00 48.40 C +ATOM 291 N GLN A 44 40.564 7.432 21.827 1.00 46.98 N +ATOM 292 CA GLN A 44 40.942 6.057 21.600 1.00 48.63 C +ATOM 293 C GLN A 44 41.931 6.007 20.404 1.00 49.08 C +ATOM 294 O GLN A 44 42.965 5.349 20.528 1.00 49.77 O +ATOM 295 CB GLN A 44 39.707 5.188 21.373 1.00 50.55 C +ATOM 296 CG GLN A 44 39.041 4.707 22.717 1.00 53.94 C +ATOM 297 CD GLN A 44 39.969 3.806 23.657 1.00 55.74 C +ATOM 298 OE1 GLN A 44 39.998 2.542 23.509 1.00 53.41 O +ATOM 299 NE2 GLN A 44 40.709 4.466 24.615 1.00 51.87 N +ATOM 300 N ASN A 45 41.613 6.698 19.280 1.00 47.69 N +ATOM 301 CA ASN A 45 42.499 6.830 18.098 1.00 45.13 C +ATOM 302 C ASN A 45 42.754 8.343 18.001 1.00 44.23 C +ATOM 303 O ASN A 45 41.985 9.112 17.432 1.00 42.14 O +ATOM 304 CB ASN A 45 41.852 6.330 16.788 1.00 45.30 C +ATOM 305 CG ASN A 45 42.904 6.173 15.643 1.00 45.42 C +ATOM 306 OD1 ASN A 45 44.021 6.666 15.766 1.00 46.28 O +ATOM 307 ND2 ASN A 45 42.542 5.510 14.557 1.00 43.43 N +ATOM 308 N PRO A 46 43.856 8.794 18.569 1.00 44.00 N +ATOM 309 CA PRO A 46 44.105 10.230 18.514 1.00 44.11 C +ATOM 310 C PRO A 46 44.437 10.767 17.160 1.00 45.10 C +ATOM 311 O PRO A 46 44.830 11.937 17.013 1.00 46.19 O +ATOM 312 CB PRO A 46 45.233 10.424 19.530 1.00 45.29 C +ATOM 313 CG PRO A 46 45.951 9.067 19.511 1.00 45.54 C +ATOM 314 CD PRO A 46 44.784 8.113 19.486 1.00 44.50 C +ATOM 315 N ARG A 47 44.279 9.941 16.139 1.00 45.01 N +ATOM 316 CA ARG A 47 44.593 10.441 14.825 1.00 43.46 C +ATOM 317 C ARG A 47 43.345 10.885 14.111 1.00 42.27 C +ATOM 318 O ARG A 47 43.448 11.554 13.084 1.00 41.83 O +ATOM 319 CB ARG A 47 45.254 9.355 13.983 1.00 44.59 C +ATOM 320 CG ARG A 47 46.689 9.112 14.315 1.00 43.21 C +ATOM 321 CD ARG A 47 47.019 7.739 13.855 1.00 42.09 C +ATOM 322 NE ARG A 47 48.007 7.152 14.737 1.00 45.24 N +ATOM 323 CZ ARG A 47 47.743 6.213 15.652 1.00 46.18 C +ATOM 324 NH1 ARG A 47 46.505 5.733 15.815 1.00 42.50 N +ATOM 325 NH2 ARG A 47 48.744 5.740 16.405 1.00 47.38 N +ATOM 326 N VAL A 48 42.187 10.486 14.626 1.00 40.06 N +ATOM 327 CA VAL A 48 40.932 10.810 13.995 1.00 40.08 C +ATOM 328 C VAL A 48 40.308 12.075 14.552 1.00 41.33 C +ATOM 329 O VAL A 48 40.002 12.147 15.746 1.00 41.88 O +ATOM 330 CB VAL A 48 39.924 9.672 14.172 1.00 40.50 C +ATOM 331 CG1 VAL A 48 38.627 10.026 13.429 1.00 42.12 C +ATOM 332 CG2 VAL A 48 40.489 8.378 13.644 1.00 39.13 C +ATOM 333 N LYS A 49 40.136 13.085 13.701 1.00 42.48 N +ATOM 334 CA LYS A 49 39.529 14.348 14.128 1.00 43.43 C +ATOM 335 C LYS A 49 38.034 14.157 13.997 1.00 43.12 C +ATOM 336 O LYS A 49 37.542 13.839 12.923 1.00 45.01 O +ATOM 337 CB LYS A 49 39.969 15.500 13.240 1.00 43.32 C +ATOM 338 CG LYS A 49 39.492 16.841 13.720 1.00 44.03 C +ATOM 339 CD LYS A 49 39.707 17.886 12.643 1.00 46.42 C +ATOM 340 CE LYS A 49 40.911 18.797 12.934 1.00 47.47 C +ATOM 341 NZ LYS A 49 42.140 18.459 12.127 1.00 48.28 N +ATOM 342 N LEU A 50 37.322 14.323 15.101 1.00 42.56 N +ATOM 343 CA LEU A 50 35.892 14.131 15.136 1.00 41.54 C +ATOM 344 C LEU A 50 35.093 15.300 14.589 1.00 41.82 C +ATOM 345 O LEU A 50 34.084 15.093 13.932 1.00 41.07 O +ATOM 346 CB LEU A 50 35.436 13.925 16.578 1.00 42.72 C +ATOM 347 CG LEU A 50 36.073 12.745 17.299 1.00 45.52 C +ATOM 348 CD1 LEU A 50 35.793 12.818 18.824 1.00 41.44 C +ATOM 349 CD2 LEU A 50 35.546 11.424 16.640 1.00 44.25 C +ATOM 350 N ILE A 51 35.516 16.524 14.882 1.00 42.16 N +ATOM 351 CA ILE A 51 34.736 17.674 14.473 1.00 43.43 C +ATOM 352 C ILE A 51 35.500 18.988 14.705 1.00 44.12 C +ATOM 353 O ILE A 51 36.514 19.023 15.422 1.00 44.03 O +ATOM 354 CB ILE A 51 33.429 17.674 15.287 1.00 45.24 C +ATOM 355 CG1 ILE A 51 32.282 18.343 14.503 1.00 44.87 C +ATOM 356 CG2 ILE A 51 33.697 18.282 16.644 1.00 45.12 C +ATOM 357 CD1 ILE A 51 32.527 19.737 14.114 1.00 47.88 C +ATOM 358 N SER A 52 34.993 20.070 14.121 1.00 43.70 N +ATOM 359 CA SER A 52 35.653 21.362 14.207 1.00 45.01 C +ATOM 360 C SER A 52 34.689 22.496 14.047 1.00 45.43 C +ATOM 361 O SER A 52 33.617 22.361 13.398 1.00 46.65 O +ATOM 362 CB SER A 52 36.692 21.533 13.104 1.00 45.76 C +ATOM 363 OG SER A 52 37.946 21.082 13.529 1.00 48.94 O +ATOM 364 N TRP A 53 35.116 23.620 14.611 1.00 43.62 N +ATOM 365 CA TRP A 53 34.361 24.851 14.596 1.00 44.06 C +ATOM 366 C TRP A 53 35.388 25.951 14.311 1.00 45.42 C +ATOM 367 O TRP A 53 36.414 26.050 15.026 1.00 45.08 O +ATOM 368 CB TRP A 53 33.748 25.113 15.984 1.00 40.23 C +ATOM 369 CG TRP A 53 32.695 24.122 16.412 1.00 40.46 C +ATOM 370 CD1 TRP A 53 31.337 24.199 16.167 1.00 39.99 C +ATOM 371 CD2 TRP A 53 32.889 22.918 17.193 1.00 38.61 C +ATOM 372 NE1 TRP A 53 30.695 23.128 16.752 1.00 40.98 N +ATOM 373 CE2 TRP A 53 31.625 22.330 17.385 1.00 38.17 C +ATOM 374 CE3 TRP A 53 34.011 22.282 17.744 1.00 37.73 C +ATOM 375 CZ2 TRP A 53 31.453 21.160 18.109 1.00 36.72 C +ATOM 376 CZ3 TRP A 53 33.835 21.126 18.466 1.00 35.36 C +ATOM 377 CH2 TRP A 53 32.569 20.574 18.645 1.00 33.83 C +ATOM 378 N PRO A 54 35.163 26.771 13.263 1.00 45.78 N +ATOM 379 CA PRO A 54 36.213 27.789 13.126 1.00 46.15 C +ATOM 380 C PRO A 54 36.065 28.701 14.345 1.00 46.69 C +ATOM 381 O PRO A 54 34.944 28.938 14.845 1.00 45.50 O +ATOM 382 CB PRO A 54 35.886 28.501 11.793 1.00 44.53 C +ATOM 383 CG PRO A 54 34.516 28.106 11.451 1.00 45.61 C +ATOM 384 CD PRO A 54 34.294 26.720 12.078 1.00 46.42 C +ATOM 385 N LEU A 55 37.188 29.188 14.844 1.00 47.42 N +ATOM 386 CA LEU A 55 37.130 30.059 15.992 1.00 49.89 C +ATOM 387 C LEU A 55 36.178 31.216 15.748 1.00 51.75 C +ATOM 388 O LEU A 55 35.538 31.726 16.659 1.00 53.31 O +ATOM 389 CB LEU A 55 38.521 30.564 16.317 1.00 48.81 C +ATOM 390 CG LEU A 55 39.270 29.408 16.971 1.00 48.35 C +ATOM 391 CD1 LEU A 55 40.781 29.670 17.000 1.00 48.80 C +ATOM 392 CD2 LEU A 55 38.682 29.216 18.389 1.00 47.21 C +ATOM 393 N SER A 56 36.038 31.604 14.503 1.00 54.03 N +ATOM 394 CA SER A 56 35.179 32.724 14.209 1.00 56.50 C +ATOM 395 C SER A 56 33.690 32.425 14.238 1.00 57.18 C +ATOM 396 O SER A 56 32.897 33.350 14.208 1.00 58.29 O +ATOM 397 CB SER A 56 35.560 33.279 12.856 1.00 57.27 C +ATOM 398 OG SER A 56 35.745 32.179 11.988 1.00 59.80 O +ATOM 399 N ALA A 57 33.287 31.164 14.301 1.00 57.45 N +ATOM 400 CA ALA A 57 31.843 30.879 14.311 1.00 57.38 C +ATOM 401 C ALA A 57 31.249 30.874 15.723 1.00 57.17 C +ATOM 402 O ALA A 57 30.062 30.572 15.909 1.00 56.98 O +ATOM 403 CB ALA A 57 31.559 29.523 13.629 1.00 56.65 C +ATOM 404 N LEU A 58 32.065 31.220 16.713 1.00 57.10 N +ATOM 405 CA LEU A 58 31.614 31.195 18.109 1.00 57.37 C +ATOM 406 C LEU A 58 30.912 32.417 18.651 1.00 57.80 C +ATOM 407 O LEU A 58 31.500 33.511 18.686 1.00 57.94 O +ATOM 408 CB LEU A 58 32.789 30.923 19.050 1.00 55.75 C +ATOM 409 CG LEU A 58 33.653 29.730 18.665 1.00 56.16 C +ATOM 410 CD1 LEU A 58 34.789 29.682 19.636 1.00 56.07 C +ATOM 411 CD2 LEU A 58 32.872 28.413 18.618 1.00 53.23 C +ATOM 412 N ARG A 59 29.687 32.194 19.129 1.00 58.48 N +ATOM 413 CA ARG A 59 28.865 33.221 19.745 1.00 59.20 C +ATOM 414 C ARG A 59 29.401 33.509 21.151 1.00 59.08 C +ATOM 415 O ARG A 59 30.115 34.490 21.332 1.00 59.65 O +ATOM 416 CB ARG A 59 27.416 32.761 19.825 1.00 60.86 C +ATOM 417 CG ARG A 59 26.737 32.633 18.482 1.00 63.27 C +ATOM 418 CD ARG A 59 25.305 32.131 18.668 1.00 66.23 C +ATOM 419 NE ARG A 59 24.625 32.047 17.383 1.00 69.70 N +ATOM 420 CZ ARG A 59 23.575 31.264 17.142 1.00 71.42 C +ATOM 421 NH1 ARG A 59 23.082 30.494 18.120 1.00 71.41 N +ATOM 422 NH2 ARG A 59 23.044 31.229 15.911 1.00 70.68 N +ATOM 423 N ARG A 60 29.058 32.689 22.151 1.00 59.34 N +ATOM 424 CA ARG A 60 29.575 32.906 23.521 1.00 58.30 C +ATOM 425 C ARG A 60 30.537 31.733 23.825 1.00 57.26 C +ATOM 426 O ARG A 60 30.680 30.793 23.041 1.00 56.81 O +ATOM 427 CB ARG A 60 28.463 32.890 24.618 1.00 57.64 C +ATOM 428 CG ARG A 60 27.000 33.304 24.305 1.00 61.85 C +ATOM 429 CD ARG A 60 26.732 34.852 24.259 1.00 66.26 C +ATOM 430 NE ARG A 60 26.484 35.528 25.555 1.00 69.28 N +ATOM 431 CZ ARG A 60 26.839 36.798 25.831 1.00 68.92 C +ATOM 432 NH1 ARG A 60 27.461 37.541 24.914 1.00 67.73 N +ATOM 433 NH2 ARG A 60 26.587 37.325 27.025 1.00 67.56 N +ATOM 434 N TYR A 61 31.225 31.818 24.950 1.00 56.23 N +ATOM 435 CA TYR A 61 32.067 30.734 25.413 1.00 55.16 C +ATOM 436 C TYR A 61 32.549 31.075 26.809 1.00 54.66 C +ATOM 437 O TYR A 61 32.992 32.208 27.080 1.00 55.30 O +ATOM 438 CB TYR A 61 33.223 30.399 24.446 1.00 55.42 C +ATOM 439 CG TYR A 61 34.215 31.492 24.088 1.00 54.11 C +ATOM 440 CD1 TYR A 61 34.092 32.210 22.880 1.00 54.03 C +ATOM 441 CD2 TYR A 61 35.312 31.757 24.906 1.00 52.67 C +ATOM 442 CE1 TYR A 61 35.047 33.173 22.490 1.00 51.89 C +ATOM 443 CE2 TYR A 61 36.268 32.710 24.536 1.00 52.97 C +ATOM 444 CZ TYR A 61 36.126 33.414 23.326 1.00 53.00 C +ATOM 445 OH TYR A 61 37.066 34.356 22.971 1.00 53.40 O +ATOM 446 N GLY A 62 32.406 30.099 27.701 1.00 53.23 N +ATOM 447 CA GLY A 62 32.769 30.298 29.086 1.00 51.33 C +ATOM 448 C GLY A 62 33.304 29.047 29.754 1.00 50.30 C +ATOM 449 O GLY A 62 33.381 27.984 29.109 1.00 51.30 O +ATOM 450 N ARG A 63 33.625 29.171 31.045 1.00 47.03 N +ATOM 451 CA ARG A 63 34.215 28.099 31.807 1.00 44.96 C +ATOM 452 C ARG A 63 34.031 28.210 33.326 1.00 43.48 C +ATOM 453 O ARG A 63 33.741 29.262 33.846 1.00 43.40 O +ATOM 454 CB ARG A 63 35.696 28.047 31.466 1.00 44.57 C +ATOM 455 CG ARG A 63 36.574 29.076 32.214 1.00 44.14 C +ATOM 456 CD ARG A 63 36.119 30.511 32.032 1.00 44.02 C +ATOM 457 NE ARG A 63 37.160 31.461 32.432 1.00 44.55 N +ATOM 458 CZ ARG A 63 37.010 32.791 32.415 1.00 44.97 C +ATOM 459 NH1 ARG A 63 35.860 33.338 32.031 1.00 44.74 N +ATOM 460 NH2 ARG A 63 38.025 33.588 32.733 1.00 44.55 N +ATOM 461 N ASP A 64 34.286 27.104 34.017 1.00 44.17 N +ATOM 462 CA ASP A 64 34.124 26.890 35.488 1.00 42.56 C +ATOM 463 C ASP A 64 35.439 26.196 35.840 1.00 41.82 C +ATOM 464 O ASP A 64 36.340 26.117 35.000 1.00 41.06 O +ATOM 465 CB ASP A 64 33.012 25.817 35.664 1.00 43.47 C +ATOM 466 CG ASP A 64 32.251 25.971 36.906 1.00 45.55 C +ATOM 467 OD1 ASP A 64 32.377 27.055 37.470 1.00 48.85 O +ATOM 468 OD2 ASP A 64 31.519 25.037 37.333 1.00 48.67 O +ATOM 469 N THR A 65 35.531 25.634 37.045 1.00 40.52 N +ATOM 470 CA THR A 65 36.710 24.865 37.397 1.00 38.87 C +ATOM 471 C THR A 65 36.424 23.398 37.012 1.00 39.21 C +ATOM 472 O THR A 65 37.254 22.498 37.252 1.00 38.95 O +ATOM 473 CB THR A 65 37.050 24.922 38.900 1.00 38.97 C +ATOM 474 OG1 THR A 65 36.005 24.299 39.649 1.00 39.26 O +ATOM 475 CG2 THR A 65 37.260 26.365 39.352 1.00 37.46 C +ATOM 476 N THR A 66 35.241 23.145 36.432 1.00 38.20 N +ATOM 477 CA THR A 66 34.928 21.793 35.976 1.00 36.69 C +ATOM 478 C THR A 66 34.189 21.746 34.658 1.00 35.47 C +ATOM 479 O THR A 66 33.808 20.692 34.249 1.00 34.89 O +ATOM 480 CB THR A 66 34.112 20.974 37.014 1.00 38.61 C +ATOM 481 OG1 THR A 66 32.765 21.455 37.095 1.00 37.90 O +ATOM 482 CG2 THR A 66 34.777 21.053 38.376 1.00 38.41 C +ATOM 483 N TRP A 67 33.981 22.884 33.992 1.00 36.39 N +ATOM 484 CA TRP A 67 33.288 22.913 32.684 1.00 35.63 C +ATOM 485 C TRP A 67 33.842 23.946 31.725 1.00 35.92 C +ATOM 486 O TRP A 67 34.479 24.911 32.140 1.00 37.76 O +ATOM 487 CB TRP A 67 31.804 23.271 32.794 1.00 34.22 C +ATOM 488 CG TRP A 67 30.992 22.458 33.734 1.00 34.48 C +ATOM 489 CD1 TRP A 67 30.578 22.832 34.993 1.00 31.20 C +ATOM 490 CD2 TRP A 67 30.428 21.159 33.482 1.00 32.64 C +ATOM 491 NE1 TRP A 67 29.783 21.848 35.525 1.00 34.53 N +ATOM 492 CE2 TRP A 67 29.669 20.806 34.623 1.00 33.00 C +ATOM 493 CE3 TRP A 67 30.488 20.259 32.398 1.00 31.85 C +ATOM 494 CZ2 TRP A 67 28.970 19.577 34.734 1.00 30.73 C +ATOM 495 CZ3 TRP A 67 29.783 19.021 32.510 1.00 31.75 C +ATOM 496 CH2 TRP A 67 29.038 18.707 33.677 1.00 31.52 C +ATOM 497 N PHE A 68 33.584 23.721 30.440 1.00 36.63 N +ATOM 498 CA PHE A 68 33.933 24.636 29.367 1.00 38.48 C +ATOM 499 C PHE A 68 32.763 24.479 28.413 1.00 39.39 C +ATOM 500 O PHE A 68 32.284 23.373 28.175 1.00 38.33 O +ATOM 501 CB PHE A 68 35.209 24.277 28.630 1.00 39.52 C +ATOM 502 CG PHE A 68 35.419 25.116 27.375 1.00 41.31 C +ATOM 503 CD1 PHE A 68 35.382 24.539 26.103 1.00 41.29 C +ATOM 504 CD2 PHE A 68 35.631 26.489 27.475 1.00 41.18 C +ATOM 505 CE1 PHE A 68 35.559 25.339 24.953 1.00 42.68 C +ATOM 506 CE2 PHE A 68 35.804 27.288 26.333 1.00 42.63 C +ATOM 507 CZ PHE A 68 35.768 26.715 25.072 1.00 41.72 C +ATOM 508 N THR A 69 32.283 25.589 27.877 1.00 41.41 N +ATOM 509 CA THR A 69 31.125 25.521 27.008 1.00 43.08 C +ATOM 510 C THR A 69 31.247 26.613 25.980 1.00 44.17 C +ATOM 511 O THR A 69 31.951 27.619 26.195 1.00 45.00 O +ATOM 512 CB THR A 69 29.821 25.809 27.816 1.00 43.31 C +ATOM 513 OG1 THR A 69 29.907 27.142 28.325 1.00 46.54 O +ATOM 514 CG2 THR A 69 29.663 24.881 29.012 1.00 39.33 C +ATOM 515 N PHE A 70 30.588 26.415 24.852 1.00 45.06 N +ATOM 516 CA PHE A 70 30.574 27.452 23.842 1.00 46.22 C +ATOM 517 C PHE A 70 29.321 27.284 22.991 1.00 47.49 C +ATOM 518 O PHE A 70 28.690 26.214 22.962 1.00 46.04 O +ATOM 519 CB PHE A 70 31.862 27.486 22.993 1.00 45.20 C +ATOM 520 CG PHE A 70 32.077 26.277 22.130 1.00 45.17 C +ATOM 521 CD1 PHE A 70 31.307 26.067 20.985 1.00 46.03 C +ATOM 522 CD2 PHE A 70 33.075 25.336 22.458 1.00 45.70 C +ATOM 523 CE1 PHE A 70 31.523 24.941 20.181 1.00 46.52 C +ATOM 524 CE2 PHE A 70 33.304 24.210 21.664 1.00 43.94 C +ATOM 525 CZ PHE A 70 32.540 24.007 20.536 1.00 45.34 C +ATOM 526 N GLU A 71 28.923 28.391 22.376 1.00 49.61 N +ATOM 527 CA GLU A 71 27.753 28.441 21.529 1.00 52.66 C +ATOM 528 C GLU A 71 28.317 28.697 20.148 1.00 53.73 C +ATOM 529 O GLU A 71 29.129 29.619 19.976 1.00 54.04 O +ATOM 530 CB GLU A 71 26.857 29.594 21.972 1.00 55.08 C +ATOM 531 CG GLU A 71 25.526 29.162 22.607 1.00 60.56 C +ATOM 532 CD GLU A 71 24.888 30.248 23.522 1.00 63.70 C +ATOM 533 OE1 GLU A 71 24.702 31.423 23.066 1.00 65.55 O +ATOM 534 OE2 GLU A 71 24.568 29.904 24.696 1.00 63.34 O +ATOM 535 N ALA A 72 27.932 27.859 19.182 1.00 54.77 N +ATOM 536 CA ALA A 72 28.404 27.993 17.802 1.00 55.67 C +ATOM 537 C ALA A 72 27.367 28.669 16.909 1.00 56.53 C +ATOM 538 O ALA A 72 26.146 28.427 17.032 1.00 56.39 O +ATOM 539 CB ALA A 72 28.746 26.628 17.220 1.00 54.84 C +ATOM 540 N GLY A 73 27.860 29.507 16.000 1.00 57.19 N +ATOM 541 CA GLY A 73 26.977 30.170 15.066 1.00 58.51 C +ATOM 542 C GLY A 73 26.508 29.210 13.975 1.00 59.14 C +ATOM 543 O GLY A 73 26.692 27.998 14.071 1.00 56.70 O +ATOM 544 N ARG A 74 25.915 29.766 12.920 1.00 61.38 N +ATOM 545 CA ARG A 74 25.393 28.957 11.825 1.00 62.83 C +ATOM 546 C ARG A 74 26.459 28.524 10.810 1.00 61.23 C +ATOM 547 O ARG A 74 26.332 27.452 10.204 1.00 59.38 O +ATOM 548 CB ARG A 74 24.298 29.728 11.098 1.00 65.99 C +ATOM 549 CG ARG A 74 22.934 29.045 11.067 1.00 71.69 C +ATOM 550 CD ARG A 74 22.044 29.495 12.218 1.00 74.89 C +ATOM 551 NE ARG A 74 22.356 30.861 12.661 1.00 79.13 N +ATOM 552 CZ ARG A 74 22.306 31.958 11.897 1.00 80.89 C +ATOM 553 NH1 ARG A 74 21.944 31.868 10.619 1.00 81.42 N +ATOM 554 NH2 ARG A 74 22.646 33.150 12.409 1.00 82.14 N +ATOM 563 N CYS A 76 29.246 26.879 10.343 1.00 58.90 N +ATOM 564 CA CYS A 76 30.145 25.824 10.796 1.00 58.12 C +ATOM 565 C CYS A 76 29.478 24.496 10.484 1.00 58.00 C +ATOM 566 O CYS A 76 28.299 24.453 10.113 1.00 57.01 O +ATOM 567 CB CYS A 76 30.425 25.934 12.317 1.00 57.90 C +ATOM 568 SG CYS A 76 29.076 25.336 13.402 1.00 57.66 S +ATOM 569 N GLU A 77 30.224 23.409 10.661 1.00 58.44 N +ATOM 570 CA GLU A 77 29.686 22.095 10.366 1.00 59.00 C +ATOM 571 C GLU A 77 28.447 21.701 11.182 1.00 59.25 C +ATOM 572 O GLU A 77 27.380 21.427 10.616 1.00 59.92 O +ATOM 573 CB GLU A 77 30.767 21.062 10.546 1.00 60.25 C +ATOM 574 CG GLU A 77 30.694 19.973 9.511 1.00 62.65 C +ATOM 575 CD GLU A 77 31.564 18.786 9.873 1.00 66.21 C +ATOM 576 OE1 GLU A 77 32.768 18.993 10.237 1.00 67.16 O +ATOM 577 OE2 GLU A 77 31.033 17.645 9.795 1.00 67.86 O +ATOM 578 N THR A 78 28.575 21.652 12.506 1.00 58.50 N +ATOM 579 CA THR A 78 27.430 21.299 13.349 1.00 57.98 C +ATOM 580 C THR A 78 26.277 22.309 13.157 1.00 58.65 C +ATOM 581 O THR A 78 25.096 21.987 13.353 1.00 57.81 O +ATOM 582 CB THR A 78 27.830 21.311 14.829 1.00 56.78 C +ATOM 583 OG1 THR A 78 28.372 22.600 15.167 1.00 55.61 O +ATOM 584 CG2 THR A 78 28.869 20.271 15.091 1.00 56.56 C +ATOM 585 N GLY A 79 26.646 23.528 12.759 1.00 58.29 N +ATOM 586 CA GLY A 79 25.664 24.564 12.600 1.00 57.25 C +ATOM 587 C GLY A 79 25.489 25.120 13.997 1.00 57.78 C +ATOM 588 O GLY A 79 26.253 24.782 14.913 1.00 56.43 O +ATOM 589 N GLU A 80 24.480 25.972 14.148 1.00 58.37 N +ATOM 590 CA GLU A 80 24.131 26.630 15.400 1.00 58.14 C +ATOM 591 C GLU A 80 23.947 25.593 16.518 1.00 56.77 C +ATOM 592 O GLU A 80 23.266 24.568 16.338 1.00 57.81 O +ATOM 593 CB GLU A 80 22.828 27.427 15.169 1.00 61.56 C +ATOM 594 CG GLU A 80 22.208 28.189 16.364 1.00 67.20 C +ATOM 595 CD GLU A 80 21.012 29.095 15.940 1.00 71.34 C +ATOM 596 OE1 GLU A 80 20.247 29.591 16.829 1.00 71.57 O +ATOM 597 OE2 GLU A 80 20.835 29.317 14.704 1.00 72.86 O +ATOM 598 N GLY A 81 24.553 25.855 17.672 1.00 53.46 N +ATOM 599 CA GLY A 81 24.389 24.936 18.783 1.00 49.60 C +ATOM 600 C GLY A 81 25.175 25.217 20.059 1.00 46.93 C +ATOM 601 O GLY A 81 26.076 26.053 20.090 1.00 46.70 O +ATOM 602 N LEU A 82 24.833 24.479 21.109 1.00 45.14 N +ATOM 603 CA LEU A 82 25.474 24.579 22.424 1.00 43.45 C +ATOM 604 C LEU A 82 26.400 23.351 22.733 1.00 42.56 C +ATOM 605 O LEU A 82 25.977 22.193 22.571 1.00 41.92 O +ATOM 606 CB LEU A 82 24.357 24.650 23.457 1.00 43.27 C +ATOM 607 CG LEU A 82 24.798 24.761 24.908 1.00 45.94 C +ATOM 608 CD1 LEU A 82 25.529 26.117 25.065 1.00 46.95 C +ATOM 609 CD2 LEU A 82 23.596 24.652 25.857 1.00 44.91 C +ATOM 610 N PHE A 83 27.643 23.558 23.179 1.00 40.91 N +ATOM 611 CA PHE A 83 28.477 22.372 23.496 1.00 40.64 C +ATOM 612 C PHE A 83 29.072 22.453 24.874 1.00 38.83 C +ATOM 613 O PHE A 83 29.787 23.406 25.195 1.00 37.32 O +ATOM 614 CB PHE A 83 29.568 22.144 22.429 1.00 42.95 C +ATOM 615 CG PHE A 83 28.998 22.037 21.056 1.00 44.73 C +ATOM 616 CD1 PHE A 83 28.848 23.191 20.257 1.00 44.18 C +ATOM 617 CD2 PHE A 83 28.387 20.834 20.644 1.00 44.87 C +ATOM 618 CE1 PHE A 83 28.068 23.146 19.072 1.00 44.21 C +ATOM 619 CE2 PHE A 83 27.604 20.771 19.465 1.00 44.53 C +ATOM 620 CZ PHE A 83 27.446 21.930 18.681 1.00 43.81 C +ATOM 621 N ILE A 84 28.761 21.440 25.680 1.00 37.67 N +ATOM 622 CA ILE A 84 29.225 21.391 27.073 1.00 38.31 C +ATOM 623 C ILE A 84 30.290 20.335 27.301 1.00 37.30 C +ATOM 624 O ILE A 84 30.076 19.183 26.988 1.00 38.47 O +ATOM 625 CB ILE A 84 28.041 21.088 28.047 1.00 37.00 C +ATOM 626 CG1 ILE A 84 26.923 22.116 27.809 1.00 36.82 C +ATOM 627 CG2 ILE A 84 28.508 21.179 29.484 1.00 34.34 C +ATOM 628 CD1 ILE A 84 25.567 21.674 28.290 1.00 34.88 C +ATOM 629 N PHE A 85 31.428 20.721 27.864 1.00 36.09 N +ATOM 630 CA PHE A 85 32.496 19.769 28.110 1.00 33.69 C +ATOM 631 C PHE A 85 32.868 19.761 29.568 1.00 35.65 C +ATOM 632 O PHE A 85 33.076 20.836 30.154 1.00 35.83 O +ATOM 633 CB PHE A 85 33.775 20.176 27.393 1.00 30.70 C +ATOM 634 CG PHE A 85 33.632 20.318 25.929 1.00 31.35 C +ATOM 635 CD1 PHE A 85 32.999 21.430 25.380 1.00 29.99 C +ATOM 636 CD2 PHE A 85 34.177 19.339 25.064 1.00 30.49 C +ATOM 637 CE1 PHE A 85 32.913 21.576 23.978 1.00 29.86 C +ATOM 638 CE2 PHE A 85 34.094 19.479 23.690 1.00 31.76 C +ATOM 639 CZ PHE A 85 33.459 20.606 23.140 1.00 31.31 C +ATOM 640 N GLN A 86 33.017 18.580 30.169 1.00 35.33 N +ATOM 641 CA GLN A 86 33.502 18.590 31.532 1.00 35.13 C +ATOM 642 C GLN A 86 35.027 18.498 31.432 1.00 33.57 C +ATOM 643 O GLN A 86 35.543 17.653 30.729 1.00 33.23 O +ATOM 644 CB GLN A 86 32.976 17.407 32.293 1.00 37.54 C +ATOM 645 CG GLN A 86 32.698 17.804 33.730 1.00 42.58 C +ATOM 646 CD GLN A 86 33.020 16.707 34.644 1.00 46.69 C +ATOM 647 OE1 GLN A 86 34.022 15.964 34.430 1.00 49.47 O +ATOM 648 NE2 GLN A 86 32.191 16.550 35.686 1.00 50.02 N +ATOM 649 N THR A 87 35.751 19.345 32.137 1.00 33.99 N +ATOM 650 CA THR A 87 37.226 19.350 32.074 1.00 36.11 C +ATOM 651 C THR A 87 37.763 20.089 33.285 1.00 37.95 C +ATOM 652 O THR A 87 37.009 20.835 33.945 1.00 37.85 O +ATOM 653 CB THR A 87 37.727 20.117 30.829 1.00 35.36 C +ATOM 654 OG1 THR A 87 39.061 20.554 31.042 1.00 36.02 O +ATOM 655 CG2 THR A 87 36.929 21.345 30.630 1.00 35.95 C +ATOM 656 N ARG A 88 39.048 19.888 33.582 1.00 40.85 N +ATOM 657 CA ARG A 88 39.694 20.547 34.724 1.00 44.23 C +ATOM 658 C ARG A 88 40.480 21.705 34.170 1.00 45.95 C +ATOM 659 O ARG A 88 40.994 22.546 34.927 1.00 46.71 O +ATOM 660 CB ARG A 88 40.677 19.622 35.410 1.00 47.11 C +ATOM 661 CG ARG A 88 40.092 18.260 35.814 1.00 53.94 C +ATOM 662 CD ARG A 88 39.227 18.327 37.107 1.00 60.05 C +ATOM 663 NE ARG A 88 39.207 17.030 37.815 1.00 64.31 N +ATOM 664 CZ ARG A 88 40.307 16.331 38.136 1.00 65.72 C +ATOM 665 NH1 ARG A 88 41.521 16.817 37.812 1.00 62.67 N +ATOM 666 NH2 ARG A 88 40.188 15.141 38.770 1.00 65.21 N +ATOM 667 N ASP A 89 40.544 21.760 32.838 1.00 45.88 N +ATOM 668 CA ASP A 89 41.299 22.784 32.138 1.00 45.58 C +ATOM 669 C ASP A 89 40.478 23.867 31.517 1.00 45.41 C +ATOM 670 O ASP A 89 40.944 24.555 30.594 1.00 48.21 O +ATOM 671 CB ASP A 89 42.192 22.100 31.112 1.00 47.31 C +ATOM 672 CG ASP A 89 43.125 21.091 31.783 1.00 49.82 C +ATOM 673 OD1 ASP A 89 43.942 21.542 32.637 1.00 50.20 O +ATOM 674 OD2 ASP A 89 43.028 19.865 31.502 1.00 50.53 O +ATOM 675 N GLY A 90 39.270 24.045 32.046 1.00 43.21 N +ATOM 676 CA GLY A 90 38.401 25.089 31.573 1.00 40.94 C +ATOM 677 C GLY A 90 39.131 26.399 31.468 1.00 41.10 C +ATOM 678 O GLY A 90 38.992 27.057 30.447 1.00 41.99 O +ATOM 679 N GLU A 91 39.927 26.794 32.463 1.00 42.57 N +ATOM 680 CA GLU A 91 40.625 28.094 32.364 1.00 44.67 C +ATOM 681 C GLU A 91 41.606 28.142 31.247 1.00 44.67 C +ATOM 682 O GLU A 91 41.583 29.059 30.448 1.00 45.63 O +ATOM 683 CB GLU A 91 41.403 28.484 33.618 1.00 45.97 C +ATOM 684 CG GLU A 91 40.826 29.638 34.448 1.00 50.73 C +ATOM 685 CD GLU A 91 40.758 31.028 33.756 1.00 53.48 C +ATOM 686 OE1 GLU A 91 41.832 31.592 33.373 1.00 55.37 O +ATOM 687 OE2 GLU A 91 39.610 31.570 33.637 1.00 52.91 O +ATOM 688 N ALA A 92 42.494 27.165 31.192 1.00 45.56 N +ATOM 689 CA ALA A 92 43.499 27.162 30.143 1.00 45.95 C +ATOM 690 C ALA A 92 42.819 27.084 28.772 1.00 46.52 C +ATOM 691 O ALA A 92 43.205 27.782 27.822 1.00 48.35 O +ATOM 692 CB ALA A 92 44.440 26.004 30.363 1.00 45.32 C +ATOM 693 N ILE A 93 41.779 26.267 28.658 1.00 45.64 N +ATOM 694 CA ILE A 93 41.102 26.189 27.371 1.00 46.29 C +ATOM 695 C ILE A 93 40.488 27.510 26.959 1.00 47.57 C +ATOM 696 O ILE A 93 40.609 27.923 25.816 1.00 48.26 O +ATOM 697 CB ILE A 93 40.009 25.138 27.369 1.00 43.69 C +ATOM 698 CG1 ILE A 93 40.653 23.757 27.527 1.00 41.88 C +ATOM 699 CG2 ILE A 93 39.206 25.277 26.116 1.00 39.94 C +ATOM 700 CD1 ILE A 93 39.694 22.643 27.703 1.00 41.45 C +ATOM 701 N TYR A 94 39.826 28.176 27.891 1.00 49.12 N +ATOM 702 CA TYR A 94 39.221 29.452 27.574 1.00 50.07 C +ATOM 703 C TYR A 94 40.199 30.588 27.198 1.00 49.65 C +ATOM 704 O TYR A 94 39.928 31.304 26.233 1.00 48.04 O +ATOM 705 CB TYR A 94 38.331 29.880 28.719 1.00 52.06 C +ATOM 706 CG TYR A 94 37.879 31.323 28.642 1.00 54.50 C +ATOM 707 CD1 TYR A 94 38.738 32.379 29.015 1.00 56.34 C +ATOM 708 CD2 TYR A 94 36.597 31.638 28.242 1.00 53.99 C +ATOM 709 CE1 TYR A 94 38.309 33.719 28.987 1.00 56.35 C +ATOM 710 CE2 TYR A 94 36.163 32.957 28.219 1.00 56.13 C +ATOM 711 CZ TYR A 94 37.013 33.988 28.588 1.00 56.27 C +ATOM 712 OH TYR A 94 36.547 35.278 28.546 1.00 59.37 O +ATOM 713 N GLN A 95 41.300 30.781 27.935 1.00 49.28 N +ATOM 714 CA GLN A 95 42.271 31.834 27.555 1.00 51.11 C +ATOM 715 C GLN A 95 42.855 31.543 26.137 1.00 53.29 C +ATOM 716 O GLN A 95 42.991 32.464 25.288 1.00 53.52 O +ATOM 717 CB GLN A 95 43.458 31.943 28.540 1.00 49.07 C +ATOM 718 CG GLN A 95 43.154 32.086 30.028 1.00 45.95 C +ATOM 719 CD GLN A 95 42.253 33.275 30.376 1.00 47.51 C +ATOM 720 OE1 GLN A 95 42.154 34.283 29.618 1.00 44.29 O +ATOM 721 NE2 GLN A 95 41.591 33.177 31.553 1.00 45.77 N +ATOM 722 N LYS A 96 43.225 30.278 25.885 1.00 54.68 N +ATOM 723 CA LYS A 96 43.745 29.915 24.563 1.00 55.18 C +ATOM 724 C LYS A 96 42.731 30.307 23.512 1.00 54.31 C +ATOM 725 O LYS A 96 43.078 30.917 22.488 1.00 55.27 O +ATOM 726 CB LYS A 96 43.995 28.411 24.448 1.00 56.37 C +ATOM 727 CG LYS A 96 45.246 27.952 25.160 1.00 59.55 C +ATOM 728 CD LYS A 96 46.333 27.463 24.184 1.00 62.61 C +ATOM 729 CE LYS A 96 46.005 26.057 23.559 1.00 65.16 C +ATOM 730 NZ LYS A 96 47.130 25.375 22.718 1.00 65.02 N +ATOM 731 N VAL A 97 41.476 29.959 23.772 1.00 53.53 N +ATOM 732 CA VAL A 97 40.385 30.235 22.833 1.00 53.79 C +ATOM 733 C VAL A 97 40.139 31.719 22.659 1.00 54.47 C +ATOM 734 O VAL A 97 39.996 32.203 21.547 1.00 55.69 O +ATOM 735 CB VAL A 97 39.063 29.524 23.272 1.00 53.01 C +ATOM 736 CG1 VAL A 97 37.894 30.057 22.500 1.00 51.57 C +ATOM 737 CG2 VAL A 97 39.172 28.038 23.028 1.00 52.08 C +ATOM 738 N HIS A 98 40.081 32.456 23.752 1.00 55.22 N +ATOM 739 CA HIS A 98 39.875 33.886 23.648 1.00 55.35 C +ATOM 740 C HIS A 98 41.072 34.447 22.870 1.00 55.79 C +ATOM 741 O HIS A 98 40.925 35.107 21.837 1.00 55.13 O +ATOM 742 CB HIS A 98 39.848 34.480 25.039 1.00 57.19 C +ATOM 743 CG HIS A 98 39.328 35.877 25.086 1.00 58.91 C +ATOM 744 ND1 HIS A 98 39.714 36.778 26.058 1.00 60.12 N +ATOM 745 CD2 HIS A 98 38.468 36.538 24.276 1.00 59.98 C +ATOM 746 CE1 HIS A 98 39.115 37.936 25.841 1.00 60.90 C +ATOM 747 NE2 HIS A 98 38.354 37.816 24.767 1.00 60.83 N +ATOM 748 N SER A 99 42.263 34.166 23.382 1.00 56.29 N +ATOM 749 CA SER A 99 43.492 34.613 22.762 1.00 57.15 C +ATOM 750 C SER A 99 43.487 34.356 21.247 1.00 58.57 C +ATOM 751 O SER A 99 43.622 35.280 20.442 1.00 58.91 O +ATOM 752 CB SER A 99 44.657 33.883 23.409 1.00 57.49 C +ATOM 753 OG SER A 99 45.876 34.340 22.864 1.00 59.71 O +ATOM 754 N ALA A 100 43.325 33.100 20.848 1.00 58.57 N +ATOM 755 CA ALA A 100 43.300 32.786 19.425 1.00 59.08 C +ATOM 756 C ALA A 100 42.154 33.451 18.653 1.00 59.19 C +ATOM 757 O ALA A 100 42.266 33.704 17.463 1.00 58.45 O +ATOM 758 CB ALA A 100 43.238 31.264 19.229 1.00 59.11 C +ATOM 759 N ALA A 101 41.047 33.730 19.325 1.00 60.13 N +ATOM 760 CA ALA A 101 39.907 34.326 18.646 1.00 61.19 C +ATOM 761 C ALA A 101 40.140 35.775 18.330 1.00 62.12 C +ATOM 762 O ALA A 101 39.721 36.259 17.278 1.00 62.99 O +ATOM 763 CB ALA A 101 38.634 34.181 19.490 1.00 60.55 C +ATOM 764 N LEU A 102 40.781 36.490 19.240 1.00 62.71 N +ATOM 765 CA LEU A 102 41.021 37.891 18.975 1.00 64.60 C +ATOM 766 C LEU A 102 42.121 37.980 17.942 1.00 65.96 C +ATOM 767 O LEU A 102 42.108 38.862 17.086 1.00 66.39 O +ATOM 768 CB LEU A 102 41.403 38.635 20.258 1.00 65.19 C +ATOM 769 CG LEU A 102 40.284 38.645 21.310 1.00 66.55 C +ATOM 770 CD1 LEU A 102 40.550 39.790 22.265 1.00 65.92 C +ATOM 771 CD2 LEU A 102 38.890 38.829 20.642 1.00 66.68 C +ATOM 772 N ALA A 103 43.077 37.056 18.019 1.00 67.17 N +ATOM 773 CA ALA A 103 44.166 37.024 17.058 1.00 67.89 C +ATOM 774 C ALA A 103 43.564 36.799 15.661 1.00 69.62 C +ATOM 775 O ALA A 103 43.804 37.568 14.734 1.00 70.83 O +ATOM 776 CB ALA A 103 45.115 35.899 17.401 1.00 66.37 C +ATOM 777 N ILE A 104 42.770 35.744 15.520 1.00 71.22 N +ATOM 778 CA ILE A 104 42.147 35.434 14.244 1.00 72.88 C +ATOM 779 C ILE A 104 41.261 36.623 13.910 1.00 74.35 C +ATOM 780 O ILE A 104 40.739 36.728 12.796 1.00 75.21 O +ATOM 781 CB ILE A 104 41.336 34.065 14.297 1.00 73.21 C +ATOM 782 CG1 ILE A 104 40.778 33.723 12.919 1.00 73.25 C +ATOM 783 CG2 ILE A 104 40.220 34.122 15.351 1.00 73.18 C +ATOM 784 CD1 ILE A 104 41.815 33.173 11.984 1.00 73.34 C +ATOM 785 N ALA A 105 41.076 37.516 14.880 1.00 76.52 N +ATOM 786 CA ALA A 105 40.320 38.734 14.622 1.00 79.46 C +ATOM 787 C ALA A 105 41.382 39.643 13.926 1.00 81.61 C +ATOM 788 O ALA A 105 41.714 40.768 14.344 1.00 79.84 O +ATOM 789 CB ALA A 105 39.801 39.342 15.932 1.00 78.94 C +ATOM 790 N GLU A 106 41.958 39.046 12.879 1.00 84.35 N +ATOM 791 CA GLU A 106 42.961 39.656 12.012 1.00 86.45 C +ATOM 792 C GLU A 106 42.167 40.731 11.331 1.00 88.50 C +ATOM 793 O GLU A 106 42.496 41.927 11.389 1.00 88.86 O +ATOM 794 CB GLU A 106 43.383 38.666 10.947 1.00 86.58 C +ATOM 795 CG GLU A 106 44.650 39.045 10.275 1.00 86.35 C +ATOM 796 CD GLU A 106 45.755 38.069 10.613 1.00 85.93 C +ATOM 797 OE1 GLU A 106 46.926 38.506 10.695 1.00 85.23 O +ATOM 798 OE2 GLU A 106 45.443 36.868 10.785 1.00 85.47 O +ATOM 799 N LEU A 107 41.106 40.241 10.680 1.00 89.87 N +ATOM 800 CA LEU A 107 40.105 41.027 9.967 1.00 91.09 C +ATOM 801 C LEU A 107 39.313 39.992 9.176 1.00 92.48 C +ATOM 802 O LEU A 107 38.493 39.276 9.808 1.00 93.29 O +ATOM 803 CB LEU A 107 40.754 42.029 9.013 1.00 90.80 C +ATOM 804 CG LEU A 107 40.268 43.467 9.158 1.00 90.60 C +ATOM 805 CD1 LEU A 107 40.674 44.008 10.538 1.00 89.91 C +ATOM 806 CD2 LEU A 107 40.863 44.317 8.029 1.00 90.20 C Added: SwiftApps/modFTdock/input/indata/1j55-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1j55-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1j55-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,673 @@ +ATOM 1 N MET A 1 39.796 31.203 2.745 1.00 26.79 N +ATOM 2 CA MET A 1 38.534 31.636 3.370 1.00 23.59 C +ATOM 3 C MET A 1 38.930 32.140 4.752 1.00 22.12 C +ATOM 4 O MET A 1 39.698 31.473 5.447 1.00 21.74 O +ATOM 5 CB MET A 1 37.582 30.436 3.439 1.00 26.89 C +ATOM 6 CG MET A 1 36.191 30.710 3.899 1.00 29.88 C +ATOM 7 SD MET A 1 34.984 29.588 3.050 1.00 31.85 S +ATOM 8 CE MET A 1 33.758 30.787 2.636 1.00 32.88 C +ATOM 9 N THR A 2 38.413 33.316 5.133 1.00 20.27 N +ATOM 10 CA THR A 2 38.715 33.931 6.416 1.00 18.53 C +ATOM 11 C THR A 2 37.875 33.320 7.506 1.00 17.89 C +ATOM 12 O THR A 2 36.958 32.574 7.220 1.00 16.97 O +ATOM 13 CB THR A 2 38.422 35.426 6.432 1.00 18.11 C +ATOM 14 OG1 THR A 2 37.023 35.635 6.234 1.00 19.29 O +ATOM 15 CG2 THR A 2 39.205 36.141 5.328 1.00 16.01 C +ATOM 16 N GLU A 3 38.154 33.679 8.759 1.00 16.89 N +ATOM 17 CA GLU A 3 37.353 33.132 9.840 1.00 17.05 C +ATOM 18 C GLU A 3 35.904 33.590 9.754 1.00 14.63 C +ATOM 19 O GLU A 3 34.983 32.794 9.920 1.00 15.71 O +ATOM 20 CB GLU A 3 37.939 33.475 11.237 1.00 15.12 C +ATOM 21 CG GLU A 3 37.127 32.826 12.398 1.00 16.26 C +ATOM 22 CD GLU A 3 37.632 33.201 13.782 1.00 18.35 C +ATOM 23 OE1 GLU A 3 38.620 33.951 13.853 1.00 18.34 O +ATOM 24 OE2 GLU A 3 37.042 32.751 14.797 1.00 19.66 O +ATOM 25 N LEU A 4 35.704 34.868 9.474 1.00 15.92 N +ATOM 26 CA LEU A 4 34.350 35.420 9.410 1.00 16.55 C +ATOM 27 C LEU A 4 33.593 34.889 8.176 1.00 17.82 C +ATOM 28 O LEU A 4 32.411 34.611 8.269 1.00 18.20 O +ATOM 29 CB LEU A 4 34.423 36.962 9.389 1.00 14.48 C +ATOM 30 CG LEU A 4 33.069 37.686 9.349 1.00 16.77 C +ATOM 31 CD1 LEU A 4 32.218 37.241 10.552 1.00 15.69 C +ATOM 32 CD2 LEU A 4 33.304 39.190 9.350 1.00 13.05 C +ATOM 33 N GLU A 5 34.259 34.770 7.019 1.00 18.19 N +ATOM 34 CA GLU A 5 33.569 34.218 5.843 1.00 18.96 C +ATOM 35 C GLU A 5 33.168 32.755 6.126 1.00 17.70 C +ATOM 36 O GLU A 5 32.099 32.287 5.720 1.00 18.58 O +ATOM 37 CB GLU A 5 34.471 34.268 4.604 1.00 19.90 C +ATOM 38 CG GLU A 5 34.718 35.662 4.082 1.00 19.69 C +ATOM 39 CD GLU A 5 35.849 35.750 3.102 1.00 22.13 C +ATOM 40 OE1 GLU A 5 36.819 34.965 3.216 1.00 23.31 O +ATOM 41 OE2 GLU A 5 35.802 36.638 2.228 1.00 24.27 O +ATOM 42 N THR A 6 34.021 32.051 6.854 1.00 17.51 N +ATOM 43 CA THR A 6 33.742 30.649 7.198 1.00 15.03 C +ATOM 44 C THR A 6 32.504 30.566 8.105 1.00 14.77 C +ATOM 45 O THR A 6 31.649 29.658 7.950 1.00 14.28 O +ATOM 46 CB THR A 6 35.011 29.992 7.909 1.00 14.22 C +ATOM 47 OG1 THR A 6 36.144 29.972 7.014 1.00 13.43 O +ATOM 48 CG2 THR A 6 34.712 28.618 8.336 1.00 14.44 C +ATOM 49 N ALA A 7 32.407 31.489 9.074 1.00 14.29 N +ATOM 50 CA ALA A 7 31.248 31.500 9.982 1.00 14.53 C +ATOM 51 C ALA A 7 29.983 31.752 9.164 1.00 13.34 C +ATOM 52 O ALA A 7 28.978 31.090 9.361 1.00 15.13 O +ATOM 53 CB ALA A 7 31.380 32.606 11.113 1.00 13.86 C +ATOM 54 N MET A 8 30.038 32.701 8.243 1.00 12.54 N +ATOM 55 CA MET A 8 28.881 32.975 7.399 1.00 15.52 C +ATOM 56 C MET A 8 28.531 31.736 6.540 1.00 15.98 C +ATOM 57 O MET A 8 27.363 31.414 6.334 1.00 14.17 O +ATOM 58 CB MET A 8 29.185 34.168 6.466 1.00 15.67 C +ATOM 59 CG MET A 8 29.435 35.442 7.205 1.00 17.25 C +ATOM 60 SD MET A 8 30.224 36.670 6.139 1.00 23.61 S +ATOM 61 CE MET A 8 29.146 36.746 4.844 1.00 24.28 C +ATOM 62 N GLY A 9 29.548 31.076 6.005 1.00 14.54 N +ATOM 63 CA GLY A 9 29.266 29.896 5.205 1.00 16.52 C +ATOM 64 C GLY A 9 28.656 28.778 6.055 1.00 16.35 C +ATOM 65 O GLY A 9 27.854 27.950 5.597 1.00 16.65 O +ATOM 66 N MET A 10 29.062 28.747 7.309 1.00 15.73 N +ATOM 67 CA MET A 10 28.573 27.747 8.223 1.00 16.46 C +ATOM 68 C MET A 10 27.080 27.950 8.575 1.00 15.76 C +ATOM 69 O MET A 10 26.341 26.995 8.788 1.00 15.45 O +ATOM 70 CB MET A 10 29.453 27.776 9.480 1.00 18.92 C +ATOM 71 CG MET A 10 29.450 26.520 10.302 1.00 19.55 C +ATOM 72 SD MET A 10 30.816 26.627 11.582 1.00 27.36 S +ATOM 73 CE MET A 10 32.117 27.043 10.608 1.00 15.81 C +ATOM 74 N ILE A 11 26.628 29.189 8.656 1.00 15.04 N +ATOM 75 CA ILE A 11 25.207 29.409 8.970 1.00 14.55 C +ATOM 76 C ILE A 11 24.399 28.993 7.739 1.00 13.93 C +ATOM 77 O ILE A 11 23.363 28.330 7.830 1.00 13.18 O +ATOM 78 CB ILE A 11 24.979 30.911 9.317 1.00 15.46 C +ATOM 79 CG1 ILE A 11 25.762 31.240 10.589 1.00 16.16 C +ATOM 80 CG2 ILE A 11 23.477 31.228 9.556 1.00 13.69 C +ATOM 81 CD1 ILE A 11 25.781 32.699 10.884 1.00 19.90 C +ATOM 82 N ILE A 12 24.894 29.354 6.564 1.00 12.81 N +ATOM 83 CA ILE A 12 24.194 28.950 5.365 1.00 14.93 C +ATOM 84 C ILE A 12 24.166 27.417 5.288 1.00 13.44 C +ATOM 85 O ILE A 12 23.143 26.832 4.922 1.00 14.03 O +ATOM 86 CB ILE A 12 24.870 29.542 4.090 1.00 14.22 C +ATOM 87 CG1 ILE A 12 24.598 31.054 4.022 1.00 15.90 C +ATOM 88 CG2 ILE A 12 24.353 28.825 2.802 1.00 15.97 C +ATOM 89 CD1 ILE A 12 25.773 31.817 3.469 1.00 16.81 C +ATOM 90 N ASP A 13 25.278 26.786 5.650 1.00 14.96 N +ATOM 91 CA ASP A 13 25.398 25.309 5.594 1.00 15.21 C +ATOM 92 C ASP A 13 24.336 24.725 6.506 1.00 14.88 C +ATOM 93 O ASP A 13 23.566 23.849 6.090 1.00 14.53 O +ATOM 94 CB ASP A 13 26.798 24.837 6.067 1.00 15.00 C +ATOM 95 CG ASP A 13 26.983 23.335 5.924 1.00 17.72 C +ATOM 96 OD1 ASP A 13 26.750 22.836 4.797 1.00 14.71 O +ATOM 97 OD2 ASP A 13 27.350 22.668 6.933 1.00 20.49 O +ATOM 98 N VAL A 14 24.291 25.216 7.744 1.00 14.93 N +ATOM 99 CA VAL A 14 23.300 24.716 8.700 1.00 15.13 C +ATOM 100 C VAL A 14 21.911 24.849 8.141 1.00 14.82 C +ATOM 101 O VAL A 14 21.166 23.858 8.091 1.00 16.40 O +ATOM 102 CB VAL A 14 23.385 25.433 10.060 1.00 16.99 C +ATOM 103 CG1 VAL A 14 22.176 25.101 10.922 1.00 14.22 C +ATOM 104 CG2 VAL A 14 24.667 25.022 10.794 1.00 15.88 C +ATOM 105 N PHE A 15 21.551 26.035 7.674 1.00 13.74 N +ATOM 106 CA PHE A 15 20.208 26.180 7.106 1.00 16.35 C +ATOM 107 C PHE A 15 19.853 25.167 5.991 1.00 16.67 C +ATOM 108 O PHE A 15 18.776 24.538 6.010 1.00 16.99 O +ATOM 109 CB PHE A 15 20.015 27.580 6.570 1.00 16.33 C +ATOM 110 CG PHE A 15 18.642 27.853 6.100 1.00 14.22 C +ATOM 111 CD1 PHE A 15 17.686 28.369 6.971 1.00 16.25 C +ATOM 112 CD2 PHE A 15 18.323 27.687 4.787 1.00 15.27 C +ATOM 113 CE1 PHE A 15 16.409 28.732 6.533 1.00 15.10 C +ATOM 114 CE2 PHE A 15 17.058 28.041 4.319 1.00 18.84 C +ATOM 115 CZ PHE A 15 16.084 28.578 5.219 1.00 16.31 C +ATOM 116 N SER A 16 20.760 25.003 5.039 1.00 16.97 N +ATOM 117 CA SER A 16 20.533 24.088 3.927 1.00 19.72 C +ATOM 118 C SER A 16 20.408 22.640 4.365 1.00 18.18 C +ATOM 119 O SER A 16 19.718 21.886 3.706 1.00 17.39 O +ATOM 120 CB SER A 16 21.644 24.180 2.867 1.00 20.55 C +ATOM 121 OG SER A 16 22.783 23.466 3.333 1.00 27.05 O +ATOM 122 N ARG A 17 21.056 22.237 5.461 1.00 19.39 N +ATOM 123 CA ARG A 17 20.930 20.849 5.940 1.00 19.45 C +ATOM 124 C ARG A 17 19.530 20.499 6.463 1.00 18.43 C +ATOM 125 O ARG A 17 19.169 19.316 6.562 1.00 18.84 O +ATOM 126 CB ARG A 17 21.941 20.513 7.063 1.00 20.28 C +ATOM 127 CG ARG A 17 23.448 20.417 6.628 1.00 25.94 C +ATOM 128 CD ARG A 17 24.473 20.357 7.819 1.00 25.97 C +ATOM 129 NE ARG A 17 25.797 20.376 7.232 1.00 31.25 N +ATOM 130 CZ ARG A 17 26.422 19.271 6.809 1.00 34.44 C +ATOM 131 NH1 ARG A 17 25.835 18.079 6.956 1.00 32.37 N +ATOM 132 NH2 ARG A 17 27.591 19.350 6.158 1.00 34.93 N +ATOM 133 N TYR A 18 18.722 21.491 6.782 1.00 17.73 N +ATOM 134 CA TYR A 18 17.417 21.174 7.337 1.00 18.20 C +ATOM 135 C TYR A 18 16.230 21.665 6.536 1.00 19.71 C +ATOM 136 O TYR A 18 15.112 21.277 6.826 1.00 19.32 O +ATOM 137 CB TYR A 18 17.280 21.741 8.759 1.00 20.12 C +ATOM 138 CG TYR A 18 18.306 21.227 9.719 1.00 18.89 C +ATOM 139 CD1 TYR A 18 19.569 21.820 9.795 1.00 18.93 C +ATOM 140 CD2 TYR A 18 18.062 20.071 10.485 1.00 20.45 C +ATOM 141 CE1 TYR A 18 20.581 21.282 10.604 1.00 20.28 C +ATOM 142 CE2 TYR A 18 19.076 19.519 11.309 1.00 20.99 C +ATOM 143 CZ TYR A 18 20.333 20.136 11.355 1.00 21.52 C +ATOM 144 OH TYR A 18 21.329 19.631 12.152 1.00 20.54 O +ATOM 145 N SER A 19 16.468 22.531 5.559 1.00 18.42 N +ATOM 146 CA SER A 19 15.381 23.115 4.803 1.00 20.30 C +ATOM 147 C SER A 19 14.939 22.316 3.601 1.00 19.64 C +ATOM 148 O SER A 19 14.011 22.737 2.939 1.00 19.82 O +ATOM 149 CB SER A 19 15.803 24.508 4.301 1.00 20.83 C +ATOM 150 OG SER A 19 16.957 24.357 3.495 1.00 16.51 O +ATOM 151 N GLY A 20 15.614 21.191 3.340 1.00 19.84 N +ATOM 152 CA GLY A 20 15.318 20.363 2.183 1.00 21.15 C +ATOM 153 C GLY A 20 14.486 19.104 2.362 1.00 22.50 C +ATOM 154 O GLY A 20 14.238 18.408 1.404 1.00 24.16 O +ATOM 155 N SER A 21 14.014 18.799 3.558 1.00 24.54 N +ATOM 156 CA SER A 21 13.247 17.575 3.689 1.00 25.24 C +ATOM 157 C SER A 21 11.757 17.691 3.297 1.00 24.91 C +ATOM 158 O SER A 21 11.105 16.685 3.016 1.00 26.06 O +ATOM 159 CB SER A 21 13.458 16.980 5.105 1.00 27.26 C +ATOM 160 OG SER A 21 13.046 17.847 6.140 1.00 30.83 O +ATOM 161 N GLU A 22 11.202 18.901 3.252 1.00 22.93 N +ATOM 162 CA GLU A 22 9.807 19.030 2.817 1.00 21.30 C +ATOM 163 C GLU A 22 9.481 20.426 2.327 1.00 19.62 C +ATOM 164 O GLU A 22 10.092 21.411 2.756 1.00 14.67 O +ATOM 165 CB GLU A 22 8.801 18.600 3.919 1.00 23.72 C +ATOM 166 CG GLU A 22 8.280 19.704 4.769 1.00 22.89 C +ATOM 167 CD GLU A 22 7.253 19.251 5.816 1.00 27.46 C +ATOM 168 OE1 GLU A 22 7.410 19.683 6.982 1.00 22.38 O +ATOM 169 OE2 GLU A 22 6.284 18.498 5.494 1.00 26.35 O +ATOM 170 N GLY A 23 8.536 20.479 1.388 1.00 20.42 N +ATOM 171 CA GLY A 23 8.093 21.737 0.791 1.00 19.67 C +ATOM 172 C GLY A 23 9.262 22.430 0.113 1.00 19.52 C +ATOM 173 O GLY A 23 10.163 21.775 -0.363 1.00 18.70 O +ATOM 174 N SER A 24 9.252 23.752 0.087 1.00 19.04 N +ATOM 175 CA SER A 24 10.321 24.490 -0.554 1.00 20.24 C +ATOM 176 C SER A 24 11.672 24.146 0.041 1.00 18.91 C +ATOM 177 O SER A 24 11.803 24.049 1.253 1.00 18.64 O +ATOM 178 CB SER A 24 10.098 25.978 -0.380 1.00 19.88 C +ATOM 179 OG SER A 24 11.294 26.681 -0.704 1.00 21.24 O +ATOM 180 N THR A 25 12.681 23.990 -0.813 1.00 19.21 N +ATOM 181 CA THR A 25 14.060 23.677 -0.364 1.00 19.07 C +ATOM 182 C THR A 25 14.731 24.950 0.155 1.00 18.09 C +ATOM 183 O THR A 25 15.843 24.919 0.656 1.00 16.95 O +ATOM 184 CB THR A 25 14.913 23.125 -1.522 1.00 20.20 C +ATOM 185 OG1 THR A 25 14.958 24.112 -2.562 1.00 20.26 O +ATOM 186 CG2 THR A 25 14.294 21.792 -2.077 1.00 21.31 C +ATOM 187 N GLN A 26 14.054 26.080 0.028 1.00 16.13 N +ATOM 188 CA GLN A 26 14.616 27.321 0.532 1.00 17.69 C +ATOM 189 C GLN A 26 13.965 27.776 1.864 1.00 16.56 C +ATOM 190 O GLN A 26 14.265 28.871 2.367 1.00 15.73 O +ATOM 191 CB GLN A 26 14.464 28.455 -0.498 1.00 20.52 C +ATOM 192 CG GLN A 26 14.994 28.130 -1.930 1.00 24.59 C +ATOM 193 CD GLN A 26 16.519 28.070 -2.045 1.00 29.94 C +ATOM 194 OE1 GLN A 26 17.269 28.323 -1.070 1.00 31.23 O +ATOM 195 NE2 GLN A 26 16.993 27.733 -3.248 1.00 30.84 N +ATOM 196 N THR A 27 13.047 26.988 2.419 1.00 15.84 N +ATOM 197 CA THR A 27 12.461 27.425 3.678 1.00 14.23 C +ATOM 198 C THR A 27 12.292 26.282 4.678 1.00 15.99 C +ATOM 199 O THR A 27 12.382 25.096 4.334 1.00 14.51 O +ATOM 200 CB THR A 27 11.057 28.127 3.525 1.00 13.42 C +ATOM 201 OG1 THR A 27 10.038 27.148 3.279 1.00 15.56 O +ATOM 202 CG2 THR A 27 11.031 29.171 2.444 1.00 13.88 C +ATOM 203 N LEU A 28 12.069 26.661 5.932 1.00 13.28 N +ATOM 204 CA LEU A 28 11.848 25.686 6.998 1.00 14.50 C +ATOM 205 C LEU A 28 10.375 25.652 7.349 1.00 13.78 C +ATOM 206 O LEU A 28 9.786 26.699 7.586 1.00 14.33 O +ATOM 207 CB LEU A 28 12.605 26.086 8.249 1.00 10.60 C +ATOM 208 CG LEU A 28 14.124 26.220 8.105 1.00 15.94 C +ATOM 209 CD1 LEU A 28 14.708 26.783 9.409 1.00 15.00 C +ATOM 210 CD2 LEU A 28 14.728 24.840 7.855 1.00 13.34 C +ATOM 211 N THR A 29 9.768 24.467 7.358 1.00 15.21 N +ATOM 212 CA THR A 29 8.345 24.357 7.770 1.00 14.63 C +ATOM 213 C THR A 29 8.480 24.198 9.276 1.00 15.08 C +ATOM 214 O THR A 29 9.613 24.190 9.767 1.00 14.04 O +ATOM 215 CB THR A 29 7.705 23.063 7.201 1.00 13.75 C +ATOM 216 OG1 THR A 29 8.495 21.939 7.629 1.00 13.49 O +ATOM 217 CG2 THR A 29 7.664 23.115 5.613 1.00 15.12 C +ATOM 218 N LYS A 30 7.366 24.028 9.999 1.00 14.08 N +ATOM 219 CA LYS A 30 7.429 23.833 11.465 1.00 15.35 C +ATOM 220 C LYS A 30 8.181 22.529 11.765 1.00 16.04 C +ATOM 221 O LYS A 30 8.975 22.431 12.711 1.00 15.35 O +ATOM 222 CB LYS A 30 5.999 23.772 12.026 1.00 17.70 C +ATOM 223 CG LYS A 30 5.912 23.656 13.538 1.00 23.81 C +ATOM 224 CD LYS A 30 4.630 22.885 13.984 1.00 26.55 C +ATOM 225 CE LYS A 30 3.369 23.629 13.688 1.00 28.23 C +ATOM 226 NZ LYS A 30 2.240 23.080 14.548 1.00 29.90 N +ATOM 227 N GLY A 31 7.976 21.519 10.938 1.00 14.00 N +ATOM 228 CA GLY A 31 8.652 20.245 11.179 1.00 15.05 C +ATOM 229 C GLY A 31 10.157 20.322 11.015 1.00 15.50 C +ATOM 230 O GLY A 31 10.925 19.800 11.848 1.00 15.02 O +ATOM 231 N GLU A 32 10.597 20.986 9.951 1.00 14.88 N +ATOM 232 CA GLU A 32 12.024 21.141 9.705 1.00 15.37 C +ATOM 233 C GLU A 32 12.653 21.997 10.804 1.00 15.87 C +ATOM 234 O GLU A 32 13.760 21.704 11.261 1.00 16.98 O +ATOM 235 CB GLU A 32 12.269 21.785 8.338 1.00 13.93 C +ATOM 236 CG GLU A 32 11.812 20.891 7.177 1.00 16.13 C +ATOM 237 CD GLU A 32 11.880 21.574 5.802 1.00 16.17 C +ATOM 238 OE1 GLU A 32 11.400 22.719 5.674 1.00 16.41 O +ATOM 239 OE2 GLU A 32 12.382 20.951 4.837 1.00 16.71 O +ATOM 240 N LEU A 33 11.959 23.055 11.217 1.00 15.17 N +ATOM 241 CA LEU A 33 12.446 23.929 12.278 1.00 13.71 C +ATOM 242 C LEU A 33 12.604 23.130 13.588 1.00 16.08 C +ATOM 243 O LEU A 33 13.549 23.324 14.323 1.00 16.28 O +ATOM 244 CB LEU A 33 11.449 25.063 12.524 1.00 13.66 C +ATOM 245 CG LEU A 33 11.822 26.065 13.634 1.00 13.35 C +ATOM 246 CD1 LEU A 33 13.177 26.701 13.301 1.00 14.56 C +ATOM 247 CD2 LEU A 33 10.735 27.210 13.748 1.00 9.96 C +ATOM 248 N LYS A 34 11.630 22.276 13.909 1.00 16.86 N +ATOM 249 CA LYS A 34 11.730 21.448 15.131 1.00 16.27 C +ATOM 250 C LYS A 34 13.040 20.628 15.103 1.00 15.92 C +ATOM 251 O LYS A 34 13.784 20.592 16.096 1.00 15.31 O +ATOM 252 CB LYS A 34 10.529 20.502 15.218 1.00 16.64 C +ATOM 253 CG LYS A 34 10.573 19.527 16.421 1.00 15.55 C +ATOM 254 CD LYS A 34 9.319 18.602 16.313 1.00 22.19 C +ATOM 255 CE LYS A 34 9.383 17.322 17.192 1.00 21.84 C +ATOM 256 NZ LYS A 34 10.621 16.481 16.896 1.00 26.36 N +ATOM 257 N VAL A 35 13.317 19.971 13.966 1.00 15.50 N +ATOM 258 CA VAL A 35 14.539 19.187 13.821 1.00 15.35 C +ATOM 259 C VAL A 35 15.782 20.087 13.889 1.00 15.32 C +ATOM 260 O VAL A 35 16.726 19.776 14.605 1.00 15.25 O +ATOM 261 CB VAL A 35 14.527 18.386 12.508 1.00 17.87 C +ATOM 262 CG1 VAL A 35 15.827 17.574 12.375 1.00 17.42 C +ATOM 263 CG2 VAL A 35 13.294 17.462 12.478 1.00 19.37 C +ATOM 264 N LEU A 36 15.797 21.195 13.154 1.00 14.68 N +ATOM 265 CA LEU A 36 16.959 22.116 13.232 1.00 15.35 C +ATOM 266 C LEU A 36 17.214 22.570 14.701 1.00 16.42 C +ATOM 267 O LEU A 36 18.368 22.580 15.186 1.00 15.45 O +ATOM 268 CB LEU A 36 16.726 23.345 12.323 1.00 14.89 C +ATOM 269 CG LEU A 36 17.916 24.318 12.136 1.00 17.45 C +ATOM 270 CD1 LEU A 36 17.715 25.238 10.922 1.00 16.06 C +ATOM 271 CD2 LEU A 36 18.101 25.162 13.324 1.00 13.72 C +ATOM 272 N MET A 37 16.158 22.940 15.432 1.00 15.99 N +ATOM 273 CA MET A 37 16.361 23.375 16.813 1.00 16.38 C +ATOM 274 C MET A 37 16.898 22.290 17.750 1.00 17.11 C +ATOM 275 O MET A 37 17.805 22.590 18.533 1.00 18.10 O +ATOM 276 CB MET A 37 15.088 23.970 17.420 1.00 15.82 C +ATOM 277 CG MET A 37 14.589 25.252 16.747 1.00 13.97 C +ATOM 278 SD MET A 37 15.763 26.607 16.712 1.00 14.87 S +ATOM 279 CE MET A 37 15.741 27.126 18.597 1.00 14.42 C +ATOM 280 N GLU A 38 16.357 21.060 17.695 1.00 18.49 N +ATOM 281 CA GLU A 38 16.839 19.942 18.560 1.00 19.90 C +ATOM 282 C GLU A 38 18.268 19.560 18.212 1.00 19.83 C +ATOM 283 O GLU A 38 19.065 19.204 19.104 1.00 19.41 O +ATOM 284 CB GLU A 38 15.924 18.672 18.442 1.00 20.94 C +ATOM 285 CG GLU A 38 14.428 18.984 18.713 1.00 25.68 C +ATOM 286 CD GLU A 38 13.391 17.867 18.350 1.00 27.89 C +ATOM 287 OE1 GLU A 38 13.634 17.054 17.425 1.00 31.72 O +ATOM 288 OE2 GLU A 38 12.290 17.845 18.961 1.00 29.42 O +ATOM 289 N LYS A 39 18.628 19.655 16.929 1.00 18.43 N +ATOM 290 CA LYS A 39 20.000 19.301 16.519 1.00 18.86 C +ATOM 291 C LYS A 39 21.077 20.411 16.610 1.00 18.53 C +ATOM 292 O LYS A 39 22.235 20.114 16.945 1.00 18.29 O +ATOM 293 CB LYS A 39 19.998 18.759 15.090 1.00 20.76 C +ATOM 294 CG LYS A 39 19.562 17.285 14.933 1.00 25.07 C +ATOM 295 CD LYS A 39 20.677 16.366 15.425 1.00 29.51 C +ATOM 296 CE LYS A 39 20.415 14.882 15.143 1.00 31.64 C +ATOM 297 NZ LYS A 39 19.150 14.433 15.786 1.00 31.12 N +ATOM 298 N GLU A 40 20.705 21.673 16.321 1.00 15.10 N +ATOM 299 CA GLU A 40 21.639 22.803 16.312 1.00 14.25 C +ATOM 300 C GLU A 40 21.582 23.760 17.511 1.00 15.09 C +ATOM 301 O GLU A 40 22.599 24.376 17.875 1.00 15.94 O +ATOM 302 CB GLU A 40 21.456 23.615 15.008 1.00 13.11 C +ATOM 303 CG GLU A 40 21.701 22.813 13.770 1.00 14.39 C +ATOM 304 CD GLU A 40 23.162 22.391 13.664 1.00 18.84 C +ATOM 305 OE1 GLU A 40 24.030 23.062 14.267 1.00 17.31 O +ATOM 306 OE2 GLU A 40 23.437 21.405 12.967 1.00 20.57 O +ATOM 307 N LEU A 41 20.409 23.900 18.108 1.00 14.60 N +ATOM 308 CA LEU A 41 20.259 24.755 19.289 1.00 17.75 C +ATOM 309 C LEU A 41 19.553 23.954 20.376 1.00 17.76 C +ATOM 310 O LEU A 41 18.556 24.410 20.913 1.00 18.26 O +ATOM 311 CB LEU A 41 19.428 26.036 18.950 1.00 15.65 C +ATOM 312 CG LEU A 41 20.161 27.020 18.013 1.00 14.86 C +ATOM 313 CD1 LEU A 41 19.312 28.243 17.597 1.00 14.49 C +ATOM 314 CD2 LEU A 41 21.354 27.486 18.741 1.00 15.12 C +ATOM 315 N PRO A 42 20.076 22.752 20.719 1.00 20.52 N +ATOM 316 CA PRO A 42 19.432 21.940 21.750 1.00 22.12 C +ATOM 317 C PRO A 42 19.306 22.685 23.058 1.00 23.94 C +ATOM 318 O PRO A 42 20.195 23.460 23.433 1.00 26.37 O +ATOM 319 CB PRO A 42 20.335 20.711 21.867 1.00 21.99 C +ATOM 320 CG PRO A 42 21.659 21.227 21.498 1.00 21.18 C +ATOM 321 CD PRO A 42 21.358 22.144 20.320 1.00 20.76 C +ATOM 322 N GLY A 43 18.179 22.462 23.718 1.00 24.93 N +ATOM 323 CA GLY A 43 17.923 23.087 24.999 1.00 28.35 C +ATOM 324 C GLY A 43 17.365 24.499 24.894 1.00 29.09 C +ATOM 325 O GLY A 43 16.930 25.039 25.894 1.00 29.95 O +ATOM 326 N PHE A 44 17.389 25.105 23.707 1.00 28.40 N +ATOM 327 CA PHE A 44 16.873 26.453 23.555 1.00 28.43 C +ATOM 328 C PHE A 44 15.371 26.531 23.802 1.00 29.32 C +ATOM 329 O PHE A 44 14.899 27.444 24.472 1.00 30.55 O +ATOM 330 CB PHE A 44 17.181 27.012 22.167 1.00 27.47 C +ATOM 331 CG PHE A 44 16.725 28.445 21.980 1.00 26.51 C +ATOM 332 CD1 PHE A 44 17.587 29.511 22.258 1.00 27.37 C +ATOM 333 CD2 PHE A 44 15.461 28.724 21.486 1.00 24.61 C +ATOM 334 CE1 PHE A 44 17.199 30.847 22.036 1.00 24.34 C +ATOM 335 CE2 PHE A 44 15.052 30.053 21.257 1.00 24.79 C +ATOM 336 CZ PHE A 44 15.922 31.110 21.532 1.00 24.44 C +ATOM 337 N LEU A 45 14.624 25.591 23.247 1.00 30.86 N +ATOM 338 CA LEU A 45 13.172 25.537 23.431 1.00 33.22 C +ATOM 339 C LEU A 45 12.866 24.727 24.703 1.00 33.19 C +ATOM 340 O LEU A 45 13.578 23.757 24.998 1.00 33.36 O +ATOM 341 CB LEU A 45 12.512 24.841 22.244 1.00 33.27 C +ATOM 342 CG LEU A 45 12.697 25.498 20.873 1.00 34.67 C +ATOM 343 CD1 LEU A 45 12.024 24.630 19.867 1.00 35.23 C +ATOM 344 CD2 LEU A 45 12.129 26.912 20.842 1.00 35.35 C +ATOM 345 N ASP A 52 4.316 22.885 21.665 1.00 40.03 N +ATOM 346 CA ASP A 52 4.029 24.312 21.870 1.00 39.87 C +ATOM 347 C ASP A 52 5.121 25.246 21.284 1.00 36.79 C +ATOM 348 O ASP A 52 4.943 25.950 20.289 1.00 35.81 O +ATOM 349 CB ASP A 52 3.913 24.624 23.380 1.00 42.19 C +ATOM 350 CG ASP A 52 3.573 23.391 24.229 1.00 45.73 C +ATOM 351 OD1 ASP A 52 4.405 22.444 24.301 1.00 46.58 O +ATOM 352 OD2 ASP A 52 2.472 23.380 24.834 1.00 46.60 O +ATOM 353 N ALA A 53 6.254 25.231 21.957 1.00 35.21 N +ATOM 354 CA ALA A 53 7.392 26.059 21.653 1.00 32.73 C +ATOM 355 C ALA A 53 7.807 26.184 20.185 1.00 31.15 C +ATOM 356 O ALA A 53 8.144 27.269 19.748 1.00 29.91 O +ATOM 357 CB ALA A 53 8.567 25.584 22.496 1.00 32.93 C +ATOM 358 N VAL A 54 7.812 25.083 19.437 1.00 30.20 N +ATOM 359 CA VAL A 54 8.226 25.152 18.031 1.00 29.11 C +ATOM 360 C VAL A 54 7.242 25.954 17.172 1.00 27.11 C +ATOM 361 O VAL A 54 7.659 26.764 16.351 1.00 25.25 O +ATOM 362 CB VAL A 54 8.417 23.737 17.437 1.00 29.72 C +ATOM 363 CG1 VAL A 54 8.589 23.803 15.938 1.00 30.21 C +ATOM 364 CG2 VAL A 54 9.650 23.101 18.050 1.00 30.96 C +ATOM 365 N ASP A 55 5.943 25.742 17.363 1.00 24.70 N +ATOM 366 CA ASP A 55 4.973 26.476 16.563 1.00 24.96 C +ATOM 367 C ASP A 55 5.020 27.970 16.947 1.00 23.45 C +ATOM 368 O ASP A 55 4.910 28.803 16.076 1.00 21.88 O +ATOM 369 CB ASP A 55 3.547 25.914 16.748 1.00 28.28 C +ATOM 370 CG ASP A 55 2.479 26.737 16.011 1.00 30.04 C +ATOM 371 OD1 ASP A 55 2.159 27.871 16.454 1.00 33.23 O +ATOM 372 OD2 ASP A 55 1.948 26.262 14.986 1.00 31.89 O +ATOM 373 N LYS A 56 5.188 28.296 18.234 1.00 21.71 N +ATOM 374 CA LYS A 56 5.265 29.692 18.649 1.00 22.67 C +ATOM 375 C LYS A 56 6.546 30.315 18.058 1.00 20.59 C +ATOM 376 O LYS A 56 6.549 31.474 17.648 1.00 21.57 O +ATOM 377 CB LYS A 56 5.318 29.829 20.193 1.00 24.13 C +ATOM 378 CG LYS A 56 4.015 29.559 21.014 1.00 30.30 C +ATOM 379 CD LYS A 56 3.108 30.811 21.229 1.00 33.90 C +ATOM 380 CE LYS A 56 2.349 30.794 22.597 1.00 36.37 C +ATOM 381 NZ LYS A 56 1.530 32.042 22.934 1.00 36.83 N +ATOM 382 N LEU A 57 7.635 29.549 18.037 1.00 19.46 N +ATOM 383 CA LEU A 57 8.904 30.078 17.504 1.00 18.84 C +ATOM 384 C LEU A 57 8.693 30.435 16.051 1.00 18.12 C +ATOM 385 O LEU A 57 9.127 31.493 15.568 1.00 16.18 O +ATOM 386 CB LEU A 57 10.010 29.017 17.544 1.00 18.04 C +ATOM 387 CG LEU A 57 11.467 29.451 17.708 1.00 21.34 C +ATOM 388 CD1 LEU A 57 12.415 28.421 17.123 1.00 14.91 C +ATOM 389 CD2 LEU A 57 11.699 30.777 17.130 1.00 20.01 C +ATOM 390 N LEU A 58 8.079 29.509 15.316 1.00 17.33 N +ATOM 391 CA LEU A 58 7.870 29.772 13.899 1.00 18.33 C +ATOM 392 C LEU A 58 7.022 31.054 13.667 1.00 17.69 C +ATOM 393 O LEU A 58 7.370 31.908 12.841 1.00 16.54 O +ATOM 394 CB LEU A 58 7.239 28.569 13.239 1.00 16.44 C +ATOM 395 CG LEU A 58 6.990 28.823 11.753 1.00 17.77 C +ATOM 396 CD1 LEU A 58 7.579 27.723 10.858 1.00 23.20 C +ATOM 397 CD2 LEU A 58 5.515 28.858 11.595 1.00 19.89 C +ATOM 398 N LYS A 59 5.946 31.188 14.433 1.00 18.79 N +ATOM 399 CA LYS A 59 5.073 32.354 14.334 1.00 19.73 C +ATOM 400 C LYS A 59 5.842 33.627 14.682 1.00 18.49 C +ATOM 401 O LYS A 59 5.576 34.679 14.127 1.00 18.95 O +ATOM 402 CB LYS A 59 3.887 32.194 15.282 1.00 23.44 C +ATOM 403 CG LYS A 59 2.825 31.180 14.817 1.00 28.21 C +ATOM 404 CD LYS A 59 2.029 30.647 16.013 1.00 31.03 C +ATOM 405 CE LYS A 59 0.505 30.888 15.887 1.00 32.64 C +ATOM 406 NZ LYS A 59 -0.264 30.463 17.162 1.00 33.19 N +ATOM 407 N ASP A 60 6.806 33.527 15.596 1.00 19.07 N +ATOM 408 CA ASP A 60 7.619 34.689 15.992 1.00 17.54 C +ATOM 409 C ASP A 60 8.573 35.133 14.882 1.00 18.26 C +ATOM 410 O ASP A 60 8.792 36.339 14.664 1.00 16.39 O +ATOM 411 CB ASP A 60 8.479 34.376 17.221 1.00 17.41 C +ATOM 412 CG ASP A 60 7.713 34.467 18.543 1.00 21.29 C +ATOM 413 OD1 ASP A 60 6.523 34.844 18.544 1.00 20.03 O +ATOM 414 OD2 ASP A 60 8.320 34.158 19.594 1.00 22.41 O +ATOM 415 N LEU A 61 9.176 34.149 14.217 1.00 17.67 N +ATOM 416 CA LEU A 61 10.144 34.428 13.166 1.00 18.45 C +ATOM 417 C LEU A 61 9.557 34.750 11.779 1.00 18.57 C +ATOM 418 O LEU A 61 10.171 35.474 10.973 1.00 18.74 O +ATOM 419 CB LEU A 61 11.087 33.240 13.015 1.00 17.39 C +ATOM 420 CG LEU A 61 11.903 32.775 14.219 1.00 18.62 C +ATOM 421 CD1 LEU A 61 13.035 31.921 13.676 1.00 20.37 C +ATOM 422 CD2 LEU A 61 12.461 33.910 14.997 1.00 18.11 C +ATOM 423 N ASP A 62 8.383 34.186 11.505 1.00 19.17 N +ATOM 424 CA ASP A 62 7.720 34.369 10.206 1.00 19.20 C +ATOM 425 C ASP A 62 7.365 35.824 9.974 1.00 18.85 C +ATOM 426 O ASP A 62 6.383 36.276 10.490 1.00 21.55 O +ATOM 427 CB ASP A 62 6.426 33.527 10.149 1.00 16.56 C +ATOM 428 CG ASP A 62 5.825 33.456 8.740 1.00 19.02 C +ATOM 429 OD1 ASP A 62 6.494 33.864 7.755 1.00 15.69 O +ATOM 430 OD2 ASP A 62 4.678 32.972 8.623 1.00 20.35 O +ATOM 431 N ALA A 63 8.141 36.558 9.198 1.00 19.45 N +ATOM 432 CA ALA A 63 7.800 37.948 8.969 1.00 22.52 C +ATOM 433 C ALA A 63 6.795 38.156 7.839 1.00 23.69 C +ATOM 434 O ALA A 63 6.126 39.194 7.778 1.00 25.43 O +ATOM 435 CB ALA A 63 9.055 38.773 8.676 1.00 21.26 C +ATOM 436 N ASN A 64 6.680 37.208 6.926 1.00 24.72 N +ATOM 437 CA ASN A 64 5.763 37.444 5.801 1.00 24.82 C +ATOM 438 C ASN A 64 4.501 36.636 5.824 1.00 26.07 C +ATOM 439 O ASN A 64 3.742 36.654 4.857 1.00 28.71 O +ATOM 440 CB ASN A 64 6.476 37.230 4.467 1.00 23.72 C +ATOM 441 CG ASN A 64 6.857 35.780 4.232 1.00 20.91 C +ATOM 442 OD1 ASN A 64 7.004 35.026 5.290 1.00 18.24 O +ATOM 443 ND2 ASN A 64 7.017 35.355 3.083 1.00 24.16 N +ATOM 444 N GLY A 65 4.278 35.916 6.911 1.00 23.84 N +ATOM 445 CA GLY A 65 3.062 35.139 7.045 1.00 24.92 C +ATOM 446 C GLY A 65 2.823 33.939 6.118 1.00 25.05 C +ATOM 447 O GLY A 65 1.664 33.619 5.854 1.00 24.68 O +ATOM 448 N ASP A 66 3.873 33.284 5.617 1.00 21.98 N +ATOM 449 CA ASP A 66 3.682 32.090 4.777 1.00 21.31 C +ATOM 450 C ASP A 66 3.800 30.800 5.609 1.00 20.58 C +ATOM 451 O ASP A 66 3.769 29.689 5.066 1.00 21.87 O +ATOM 452 CB ASP A 66 4.678 32.027 3.610 1.00 19.99 C +ATOM 453 CG ASP A 66 6.136 32.154 4.051 1.00 19.83 C +ATOM 454 OD1 ASP A 66 6.438 32.080 5.270 1.00 16.77 O +ATOM 455 OD2 ASP A 66 6.984 32.341 3.148 1.00 19.44 O +ATOM 456 N ALA A 67 3.909 30.935 6.923 1.00 18.52 N +ATOM 457 CA ALA A 67 4.023 29.757 7.785 1.00 19.94 C +ATOM 458 C ALA A 67 5.341 28.963 7.626 1.00 18.43 C +ATOM 459 O ALA A 67 5.441 27.790 8.013 1.00 19.78 O +ATOM 460 CB ALA A 67 2.811 28.831 7.562 1.00 21.65 C +ATOM 461 N GLN A 68 6.365 29.624 7.096 1.00 19.03 N +ATOM 462 CA GLN A 68 7.672 28.994 6.909 1.00 17.62 C +ATOM 463 C GLN A 68 8.757 30.000 7.268 1.00 16.58 C +ATOM 464 O GLN A 68 8.513 31.229 7.255 1.00 17.00 O +ATOM 465 CB GLN A 68 7.835 28.599 5.452 1.00 18.82 C +ATOM 466 CG GLN A 68 6.764 27.677 4.954 1.00 22.08 C +ATOM 467 CD GLN A 68 6.591 27.762 3.445 1.00 23.48 C +ATOM 468 OE1 GLN A 68 5.477 27.852 2.973 1.00 26.87 O +ATOM 469 NE2 GLN A 68 7.694 27.721 2.690 1.00 23.49 N +ATOM 470 N VAL A 69 9.941 29.483 7.558 1.00 12.36 N +ATOM 471 CA VAL A 69 11.061 30.333 7.887 1.00 13.04 C +ATOM 472 C VAL A 69 12.058 30.309 6.745 1.00 13.27 C +ATOM 473 O VAL A 69 12.662 29.262 6.448 1.00 11.21 O +ATOM 474 CB VAL A 69 11.792 29.876 9.150 1.00 11.02 C +ATOM 475 CG1 VAL A 69 12.894 30.910 9.530 1.00 7.91 C +ATOM 476 CG2 VAL A 69 10.814 29.752 10.280 1.00 12.01 C +ATOM 477 N ASP A 70 12.234 31.460 6.110 1.00 13.96 N +ATOM 478 CA ASP A 70 13.177 31.524 5.008 1.00 14.45 C +ATOM 479 C ASP A 70 14.539 31.953 5.552 1.00 13.71 C +ATOM 480 O ASP A 70 14.710 32.159 6.779 1.00 13.84 O +ATOM 481 CB ASP A 70 12.696 32.433 3.845 1.00 15.41 C +ATOM 482 CG ASP A 70 12.475 33.889 4.239 1.00 17.16 C +ATOM 483 OD1 ASP A 70 13.182 34.457 5.107 1.00 17.14 O +ATOM 484 OD2 ASP A 70 11.549 34.469 3.636 1.00 17.57 O +ATOM 485 N PHE A 71 15.517 32.046 4.674 1.00 13.55 N +ATOM 486 CA PHE A 71 16.822 32.392 5.180 1.00 14.40 C +ATOM 487 C PHE A 71 16.901 33.748 5.849 1.00 15.21 C +ATOM 488 O PHE A 71 17.513 33.846 6.895 1.00 16.61 O +ATOM 489 CB PHE A 71 17.930 32.266 4.122 1.00 13.91 C +ATOM 490 CG PHE A 71 19.315 32.353 4.727 1.00 14.34 C +ATOM 491 CD1 PHE A 71 19.856 31.280 5.413 1.00 14.39 C +ATOM 492 CD2 PHE A 71 20.039 33.556 4.693 1.00 15.61 C +ATOM 493 CE1 PHE A 71 21.113 31.382 6.079 1.00 14.67 C +ATOM 494 CE2 PHE A 71 21.287 33.677 5.352 1.00 14.87 C +ATOM 495 CZ PHE A 71 21.813 32.583 6.043 1.00 16.48 C +ATOM 496 N SER A 72 16.279 34.780 5.295 1.00 15.99 N +ATOM 497 CA SER A 72 16.336 36.102 5.942 1.00 17.51 C +ATOM 498 C SER A 72 15.798 36.051 7.360 1.00 17.49 C +ATOM 499 O SER A 72 16.440 36.614 8.272 1.00 17.41 O +ATOM 500 CB SER A 72 15.543 37.163 5.149 1.00 20.35 C +ATOM 501 OG SER A 72 16.072 37.224 3.821 1.00 21.44 O +ATOM 502 N GLU A 73 14.637 35.394 7.540 1.00 14.55 N +ATOM 503 CA GLU A 73 14.012 35.266 8.866 1.00 15.37 C +ATOM 504 C GLU A 73 14.923 34.462 9.821 1.00 14.86 C +ATOM 505 O GLU A 73 15.102 34.792 11.000 1.00 15.10 O +ATOM 506 CB GLU A 73 12.636 34.596 8.732 1.00 14.33 C +ATOM 507 CG GLU A 73 11.659 35.465 7.887 1.00 16.90 C +ATOM 508 CD GLU A 73 10.476 34.680 7.399 1.00 16.12 C +ATOM 509 OE1 GLU A 73 10.591 33.439 7.294 1.00 15.88 O +ATOM 510 OE2 GLU A 73 9.436 35.298 7.101 1.00 17.07 O +ATOM 511 N PHE A 74 15.510 33.409 9.288 1.00 14.46 N +ATOM 512 CA PHE A 74 16.405 32.587 10.058 1.00 14.71 C +ATOM 513 C PHE A 74 17.675 33.348 10.481 1.00 13.59 C +ATOM 514 O PHE A 74 18.043 33.316 11.636 1.00 16.53 O +ATOM 515 CB PHE A 74 16.762 31.327 9.249 1.00 13.13 C +ATOM 516 CG PHE A 74 17.802 30.459 9.891 1.00 13.92 C +ATOM 517 CD1 PHE A 74 17.468 29.627 10.952 1.00 16.41 C +ATOM 518 CD2 PHE A 74 19.105 30.424 9.400 1.00 14.59 C +ATOM 519 CE1 PHE A 74 18.408 28.761 11.526 1.00 13.93 C +ATOM 520 CE2 PHE A 74 20.070 29.550 9.978 1.00 15.68 C +ATOM 521 CZ PHE A 74 19.702 28.720 11.047 1.00 14.86 C +ATOM 522 N ILE A 75 18.340 34.049 9.586 1.00 15.14 N +ATOM 523 CA ILE A 75 19.567 34.715 10.001 1.00 16.45 C +ATOM 524 C ILE A 75 19.295 35.842 11.015 1.00 16.94 C +ATOM 525 O ILE A 75 20.138 36.131 11.860 1.00 17.86 O +ATOM 526 CB ILE A 75 20.383 35.241 8.756 1.00 15.34 C +ATOM 527 CG1 ILE A 75 21.802 35.648 9.153 1.00 18.99 C +ATOM 528 CG2 ILE A 75 19.741 36.457 8.166 1.00 14.73 C +ATOM 529 CD1 ILE A 75 22.887 34.601 8.900 1.00 16.79 C +ATOM 530 N VAL A 76 18.117 36.450 10.961 1.00 16.75 N +ATOM 531 CA VAL A 76 17.798 37.506 11.908 1.00 17.60 C +ATOM 532 C VAL A 76 17.708 36.843 13.290 1.00 17.53 C +ATOM 533 O VAL A 76 18.182 37.381 14.300 1.00 15.69 O +ATOM 534 CB VAL A 76 16.473 38.199 11.506 1.00 18.83 C +ATOM 535 CG1 VAL A 76 15.851 38.910 12.696 1.00 20.41 C +ATOM 536 CG2 VAL A 76 16.766 39.205 10.383 1.00 20.07 C +ATOM 537 N PHE A 77 17.131 35.654 13.323 1.00 15.37 N +ATOM 538 CA PHE A 77 17.022 34.899 14.578 1.00 14.92 C +ATOM 539 C PHE A 77 18.406 34.510 15.137 1.00 15.11 C +ATOM 540 O PHE A 77 18.655 34.654 16.366 1.00 13.08 O +ATOM 541 CB PHE A 77 16.179 33.644 14.337 1.00 15.08 C +ATOM 542 CG PHE A 77 16.169 32.675 15.490 1.00 17.13 C +ATOM 543 CD1 PHE A 77 15.682 33.058 16.736 1.00 17.66 C +ATOM 544 CD2 PHE A 77 16.636 31.383 15.317 1.00 18.05 C +ATOM 545 CE1 PHE A 77 15.652 32.163 17.816 1.00 19.40 C +ATOM 546 CE2 PHE A 77 16.623 30.482 16.376 1.00 19.87 C +ATOM 547 CZ PHE A 77 16.126 30.872 17.635 1.00 21.49 C +ATOM 548 N VAL A 78 19.284 33.990 14.257 1.00 12.37 N +ATOM 549 CA VAL A 78 20.649 33.621 14.637 1.00 14.10 C +ATOM 550 C VAL A 78 21.410 34.815 15.200 1.00 14.83 C +ATOM 551 O VAL A 78 22.150 34.704 16.200 1.00 15.51 O +ATOM 552 CB VAL A 78 21.422 33.022 13.414 1.00 15.13 C +ATOM 553 CG1 VAL A 78 22.888 32.777 13.760 1.00 13.99 C +ATOM 554 CG2 VAL A 78 20.761 31.698 13.029 1.00 16.30 C +ATOM 555 N ALA A 79 21.218 35.968 14.566 1.00 15.59 N +ATOM 556 CA ALA A 79 21.868 37.212 15.014 1.00 16.00 C +ATOM 557 C ALA A 79 21.407 37.627 16.394 1.00 16.47 C +ATOM 558 O ALA A 79 22.212 38.046 17.212 1.00 14.02 O +ATOM 559 CB ALA A 79 21.578 38.352 14.029 1.00 15.78 C +ATOM 560 N ALA A 80 20.097 37.528 16.627 1.00 16.63 N +ATOM 561 CA ALA A 80 19.513 37.924 17.893 1.00 17.21 C +ATOM 562 C ALA A 80 20.088 37.067 19.041 1.00 17.36 C +ATOM 563 O ALA A 80 20.499 37.600 20.083 1.00 16.28 O +ATOM 564 CB ALA A 80 17.981 37.777 17.817 1.00 18.56 C +ATOM 565 N ILE A 81 20.097 35.747 18.842 1.00 15.33 N +ATOM 566 CA ILE A 81 20.644 34.826 19.833 1.00 17.42 C +ATOM 567 C ILE A 81 22.113 35.138 20.092 1.00 14.92 C +ATOM 568 O ILE A 81 22.572 35.165 21.223 1.00 17.14 O +ATOM 569 CB ILE A 81 20.604 33.362 19.326 1.00 19.08 C +ATOM 570 CG1 ILE A 81 19.191 32.898 19.120 1.00 23.30 C +ATOM 571 CG2 ILE A 81 21.256 32.471 20.349 1.00 24.25 C +ATOM 572 CD1 ILE A 81 18.252 33.565 20.052 1.00 19.67 C +ATOM 573 N THR A 82 22.863 35.341 19.019 1.00 14.88 N +ATOM 574 CA THR A 82 24.287 35.643 19.154 1.00 13.70 C +ATOM 575 C THR A 82 24.483 36.983 19.895 1.00 14.44 C +ATOM 576 O THR A 82 25.305 37.073 20.813 1.00 14.33 O +ATOM 577 CB THR A 82 24.947 35.692 17.783 1.00 14.99 C +ATOM 578 OG1 THR A 82 24.612 34.485 17.058 1.00 14.60 O +ATOM 579 CG2 THR A 82 26.485 35.779 17.939 1.00 13.17 C +ATOM 580 N SER A 83 23.682 38.000 19.541 1.00 13.12 N +ATOM 581 CA SER A 83 23.785 39.301 20.205 1.00 14.36 C +ATOM 582 C SER A 83 23.459 39.158 21.694 1.00 13.59 C +ATOM 583 O SER A 83 24.083 39.786 22.519 1.00 12.30 O +ATOM 584 CB SER A 83 22.829 40.334 19.571 1.00 13.88 C +ATOM 585 OG SER A 83 22.944 41.609 20.225 1.00 21.34 O +ATOM 586 N ALA A 84 22.463 38.343 22.025 1.00 14.22 N +ATOM 587 CA ALA A 84 22.084 38.164 23.436 1.00 16.88 C +ATOM 588 C ALA A 84 23.241 37.529 24.226 1.00 17.64 C +ATOM 589 O ALA A 84 23.482 37.878 25.371 1.00 18.76 O +ATOM 590 CB ALA A 84 20.810 37.303 23.544 1.00 17.09 C +ATOM 591 N CYS A 85 23.953 36.598 23.612 1.00 18.63 N +ATOM 592 CA CYS A 85 25.110 35.958 24.272 1.00 18.67 C +ATOM 593 C CYS A 85 26.210 36.978 24.543 1.00 18.39 C +ATOM 594 O CYS A 85 26.735 37.059 25.655 1.00 18.77 O +ATOM 595 CB CYS A 85 25.705 34.842 23.401 1.00 19.74 C +ATOM 596 SG CYS A 85 24.611 33.415 23.211 1.00 26.65 S +ATOM 597 N HIS A 86 26.544 37.771 23.532 1.00 16.44 N +ATOM 598 CA HIS A 86 27.584 38.760 23.660 1.00 15.70 C +ATOM 599 C HIS A 86 27.237 39.853 24.689 1.00 16.38 C +ATOM 600 O HIS A 86 28.119 40.323 25.448 1.00 15.78 O +ATOM 601 CB HIS A 86 27.904 39.382 22.279 1.00 14.04 C +ATOM 602 CG HIS A 86 29.103 40.291 22.299 1.00 15.52 C +ATOM 603 ND1 HIS A 86 29.043 41.574 22.786 1.00 14.98 N +ATOM 604 CD2 HIS A 86 30.409 40.065 21.999 1.00 15.63 C +ATOM 605 CE1 HIS A 86 30.253 42.106 22.790 1.00 14.63 C +ATOM 606 NE2 HIS A 86 31.102 41.210 22.314 1.00 14.64 N +ATOM 607 N LYS A 87 25.970 40.270 24.726 1.00 13.41 N +ATOM 608 CA LYS A 87 25.524 41.272 25.690 1.00 14.67 C +ATOM 609 C LYS A 87 25.645 40.732 27.124 1.00 15.84 C +ATOM 610 O LYS A 87 25.952 41.448 28.071 1.00 14.40 O +ATOM 611 CB LYS A 87 24.053 41.587 25.439 1.00 19.32 C +ATOM 612 CG LYS A 87 23.409 42.543 26.414 1.00 23.23 C +ATOM 613 CD LYS A 87 22.596 43.591 25.658 1.00 29.42 C +ATOM 614 CE LYS A 87 22.146 43.134 24.234 1.00 29.69 C +ATOM 615 NZ LYS A 87 21.490 44.220 23.403 1.00 32.29 N +ATOM 616 N TYR A 88 25.370 39.458 27.288 1.00 16.62 N +ATOM 617 CA TYR A 88 25.437 38.889 28.624 1.00 18.98 C +ATOM 618 C TYR A 88 26.863 38.906 29.208 1.00 20.02 C +ATOM 619 O TYR A 88 27.032 39.263 30.367 1.00 19.44 O +ATOM 620 CB TYR A 88 24.895 37.449 28.637 1.00 19.67 C +ATOM 621 CG TYR A 88 24.889 36.811 30.033 1.00 22.38 C +ATOM 622 CD1 TYR A 88 23.836 37.019 30.926 1.00 23.16 C +ATOM 623 CD2 TYR A 88 25.958 36.031 30.455 1.00 23.12 C +ATOM 624 CE1 TYR A 88 23.855 36.449 32.240 1.00 24.45 C +ATOM 625 CE2 TYR A 88 25.990 35.460 31.747 1.00 24.44 C +ATOM 626 CZ TYR A 88 24.948 35.679 32.631 1.00 24.06 C +ATOM 627 OH TYR A 88 25.065 35.192 33.932 1.00 25.83 O +ATOM 628 N PHE A 89 27.865 38.502 28.430 1.00 19.54 N +ATOM 629 CA PHE A 89 29.220 38.477 28.960 1.00 22.50 C +ATOM 630 C PHE A 89 29.820 39.855 29.022 1.00 22.28 C +ATOM 631 O PHE A 89 30.710 40.100 29.843 1.00 24.20 O +ATOM 632 CB PHE A 89 30.108 37.477 28.212 1.00 21.26 C +ATOM 633 CG PHE A 89 29.651 36.057 28.387 1.00 23.30 C +ATOM 634 CD1 PHE A 89 29.776 35.435 29.609 1.00 23.89 C +ATOM 635 CD2 PHE A 89 28.998 35.385 27.354 1.00 24.89 C +ATOM 636 CE1 PHE A 89 29.255 34.164 29.825 1.00 25.57 C +ATOM 637 CE2 PHE A 89 28.463 34.085 27.559 1.00 27.96 C +ATOM 638 CZ PHE A 89 28.597 33.487 28.800 1.00 26.51 C +ATOM 639 N GLU A 90 29.291 40.764 28.208 1.00 23.17 N +ATOM 640 CA GLU A 90 29.721 42.163 28.250 1.00 23.39 C +ATOM 641 C GLU A 90 29.343 42.702 29.632 1.00 24.98 C +ATOM 642 O GLU A 90 30.138 43.355 30.274 1.00 24.60 O +ATOM 643 CB GLU A 90 29.030 42.999 27.158 1.00 24.99 C +ATOM 644 CG GLU A 90 29.621 44.396 27.000 1.00 28.12 C +ATOM 645 CD GLU A 90 28.832 45.334 26.003 1.00 30.73 C +ATOM 646 OE1 GLU A 90 29.237 46.513 25.864 1.00 28.47 O +ATOM 647 OE2 GLU A 90 27.834 44.912 25.374 1.00 30.53 O +ATOM 648 N LYS A 91 28.136 42.378 30.109 1.00 26.09 N +ATOM 649 CA LYS A 91 27.681 42.824 31.423 1.00 27.66 C +ATOM 650 C LYS A 91 28.340 42.066 32.569 1.00 27.67 C +ATOM 651 O LYS A 91 28.640 42.670 33.591 1.00 26.24 O +ATOM 652 CB LYS A 91 26.153 42.697 31.568 1.00 28.22 C +ATOM 653 CG LYS A 91 25.329 43.515 30.543 1.00 32.71 C +ATOM 654 CD LYS A 91 25.482 45.050 30.694 1.00 33.97 C +ATOM 655 CE LYS A 91 26.872 45.577 30.308 1.00 35.96 C +ATOM 656 NZ LYS A 91 26.991 45.935 28.865 1.00 37.10 N +ATOM 657 N ALA A 92 28.552 40.756 32.424 1.00 28.20 N +ATOM 658 CA ALA A 92 29.203 39.990 33.506 1.00 28.98 C +ATOM 659 C ALA A 92 30.577 40.603 33.751 1.00 30.89 C +ATOM 660 O ALA A 92 31.171 40.436 34.823 1.00 30.50 O +ATOM 661 CB ALA A 92 29.356 38.505 33.119 1.00 27.33 C +ATOM 662 N GLY A 93 31.032 41.337 32.739 1.00 33.24 N +ATOM 663 CA GLY A 93 32.324 42.012 32.718 1.00 36.22 C +ATOM 664 C GLY A 93 32.599 43.171 33.647 1.00 37.83 C +ATOM 665 O GLY A 93 33.621 43.838 33.519 1.00 38.14 O +ATOM 666 N LEU A 94 31.669 43.452 34.544 1.00 40.67 N +ATOM 667 CA LEU A 94 31.888 44.461 35.574 1.00 41.97 C +ATOM 668 C LEU A 94 30.746 44.524 36.570 1.00 42.69 C +ATOM 669 O LEU A 94 30.976 44.671 37.774 1.00 42.69 O +ATOM 670 CB LEU A 94 32.145 45.866 35.019 1.00 43.44 C +ATOM 671 CG LEU A 94 32.625 46.690 36.244 1.00 44.89 C +ATOM 672 CD1 LEU A 94 33.840 45.979 36.896 1.00 44.56 C +ATOM 673 CD2 LEU A 94 32.981 48.136 35.864 1.00 44.93 C Added: SwiftApps/modFTdock/input/indata/1k8u-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1k8u-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1k8u-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,700 @@ +ATOM 1 N ALA A 2 -10.282 -7.581 46.211 1.00 14.33 N +ATOM 2 CA ALA A 2 -8.918 -7.527 46.806 1.00 12.53 C +ATOM 3 C ALA A 2 -8.692 -6.265 47.636 1.00 11.96 C +ATOM 4 O ALA A 2 -9.382 -5.231 47.463 1.00 13.57 O +ATOM 5 CB ALA A 2 -7.914 -7.573 45.680 1.00 16.55 C +ATOM 17 N PRO A 4 -6.819 -2.887 48.824 1.00 10.32 N +ATOM 18 CA PRO A 4 -6.311 -1.833 47.936 1.00 10.22 C +ATOM 19 C PRO A 4 -4.926 -2.058 47.362 1.00 9.90 C +ATOM 20 O PRO A 4 -4.711 -1.914 46.159 1.00 10.38 O +ATOM 21 CB PRO A 4 -6.400 -0.585 48.817 1.00 12.61 C +ATOM 22 CG PRO A 4 -7.614 -0.873 49.650 1.00 13.46 C +ATOM 23 CD PRO A 4 -7.464 -2.334 50.018 1.00 11.82 C +ATOM 24 N LEU A 5 -3.955 -2.448 48.184 1.00 9.62 N +ATOM 25 CA LEU A 5 -2.611 -2.628 47.635 1.00 9.42 C +ATOM 26 C LEU A 5 -2.577 -3.836 46.724 1.00 8.88 C +ATOM 27 O LEU A 5 -1.804 -3.861 45.755 1.00 10.16 O +ATOM 28 CB LEU A 5 -1.588 -2.725 48.766 1.00 10.61 C +ATOM 29 CG LEU A 5 -0.114 -2.620 48.331 1.00 10.67 C +ATOM 30 CD1 LEU A 5 0.124 -1.231 47.695 1.00 12.51 C +ATOM 31 CD2 LEU A 5 0.789 -2.916 49.497 1.00 12.24 C +ATOM 32 N ASP A 6 -3.346 -4.927 47.008 1.00 9.84 N +ATOM 33 CA ASP A 6 -3.395 -6.063 46.099 1.00 10.10 C +ATOM 34 C ASP A 6 -4.014 -5.649 44.751 1.00 9.35 C +ATOM 35 O ASP A 6 -3.528 -6.053 43.710 1.00 9.62 O +ATOM 36 CB ASP A 6 -4.246 -7.211 46.685 1.00 10.33 C +ATOM 37 CG ASP A 6 -3.458 -8.200 47.528 1.00 11.41 C +ATOM 38 OD1 ASP A 6 -2.389 -8.645 47.042 1.00 12.67 O +ATOM 39 OD2 ASP A 6 -3.923 -8.489 48.660 1.00 11.27 O +ATOM 40 N GLN A 7 -5.018 -4.762 44.827 1.00 9.32 N +ATOM 41 CA GLN A 7 -5.615 -4.247 43.618 1.00 10.50 C +ATOM 42 C GLN A 7 -4.573 -3.474 42.784 1.00 10.11 C +ATOM 43 O GLN A 7 -4.452 -3.631 41.582 1.00 10.85 O +ATOM 44 CB GLN A 7 -6.774 -3.305 43.891 1.00 12.54 C +ATOM 45 CG GLN A 7 -7.442 -2.747 42.664 1.00 17.98 C +ATOM 46 CD GLN A 7 -8.678 -1.925 42.931 1.00 22.99 C +ATOM 47 OE1 GLN A 7 -9.428 -1.599 42.005 1.00 29.12 O +ATOM 48 NE2 GLN A 7 -8.921 -1.566 44.178 1.00 24.26 N +ATOM 49 N ALA A 8 -3.791 -2.651 43.472 1.00 9.44 N +ATOM 50 CA ALA A 8 -2.771 -1.829 42.812 1.00 9.93 C +ATOM 51 C ALA A 8 -1.776 -2.720 42.099 1.00 9.01 C +ATOM 52 O ALA A 8 -1.394 -2.501 40.947 1.00 9.52 O +ATOM 53 CB ALA A 8 -2.098 -0.918 43.813 1.00 11.10 C +ATOM 54 N ILE A 9 -1.264 -3.746 42.839 1.00 9.78 N +ATOM 55 CA ILE A 9 -0.295 -4.639 42.227 1.00 9.90 C +ATOM 56 C ILE A 9 -0.879 -5.394 41.046 1.00 9.46 C +ATOM 57 O ILE A 9 -0.247 -5.541 39.990 1.00 10.00 O +ATOM 58 CB ILE A 9 0.289 -5.614 43.289 1.00 11.44 C +ATOM 59 CG1 ILE A 9 1.107 -4.834 44.301 1.00 12.81 C +ATOM 60 CG2 ILE A 9 1.136 -6.689 42.625 1.00 12.38 C +ATOM 61 CD1 ILE A 9 1.622 -5.593 45.514 1.00 14.86 C +ATOM 62 N GLY A 10 -2.126 -5.872 41.186 1.00 9.44 N +ATOM 63 CA GLY A 10 -2.734 -6.572 40.082 1.00 10.41 C +ATOM 64 C GLY A 10 -2.850 -5.699 38.836 1.00 9.27 C +ATOM 65 O GLY A 10 -2.654 -6.145 37.716 1.00 10.04 O +ATOM 66 N LEU A 11 -3.188 -4.422 39.017 1.00 9.55 N +ATOM 67 CA LEU A 11 -3.245 -3.487 37.877 1.00 9.61 C +ATOM 68 C LEU A 11 -1.880 -3.240 37.287 1.00 9.59 C +ATOM 69 O LEU A 11 -1.725 -3.224 36.063 1.00 10.54 O +ATOM 70 CB LEU A 11 -3.887 -2.199 38.363 1.00 10.37 C +ATOM 71 CG LEU A 11 -5.364 -2.260 38.685 1.00 10.16 C +ATOM 72 CD1 LEU A 11 -5.798 -0.964 39.344 1.00 12.76 C +ATOM 73 CD2 LEU A 11 -6.219 -2.496 37.453 1.00 15.15 C +ATOM 74 N LEU A 12 -0.837 -3.076 38.108 1.00 9.99 N +ATOM 75 CA LEU A 12 0.535 -2.922 37.567 1.00 10.54 C +ATOM 76 C LEU A 12 0.928 -4.079 36.706 1.00 10.13 C +ATOM 77 O LEU A 12 1.566 -3.905 35.653 1.00 9.97 O +ATOM 78 CB LEU A 12 1.585 -2.884 38.715 1.00 11.60 C +ATOM 79 CG LEU A 12 1.537 -1.662 39.563 1.00 15.36 C +ATOM 80 CD1 LEU A 12 2.512 -1.678 40.718 1.00 17.33 C +ATOM 81 CD2 LEU A 12 1.822 -0.431 38.697 1.00 18.20 C +ATOM 82 N VAL A 13 0.636 -5.299 37.204 1.00 9.62 N +ATOM 83 CA VAL A 13 0.976 -6.497 36.452 1.00 10.07 C +ATOM 84 C VAL A 13 0.190 -6.575 35.162 1.00 9.43 C +ATOM 85 O VAL A 13 0.737 -6.919 34.091 1.00 9.93 O +ATOM 86 CB VAL A 13 0.750 -7.757 37.321 1.00 10.55 C +ATOM 87 CG1 VAL A 13 0.915 -9.040 36.528 1.00 12.53 C +ATOM 88 CG2 VAL A 13 1.724 -7.785 38.482 1.00 12.19 C +ATOM 89 N ALA A 14 -1.114 -6.271 35.223 1.00 8.90 N +ATOM 90 CA ALA A 14 -1.925 -6.350 34.036 1.00 9.19 C +ATOM 91 C ALA A 14 -1.434 -5.395 32.943 1.00 10.01 C +ATOM 92 O ALA A 14 -1.337 -5.757 31.779 1.00 10.65 O +ATOM 93 CB ALA A 14 -3.381 -6.053 34.356 1.00 10.38 C +ATOM 94 N ILE A 15 -1.141 -4.142 33.356 1.00 8.74 N +ATOM 95 CA ILE A 15 -0.685 -3.181 32.317 1.00 9.90 C +ATOM 96 C ILE A 15 0.670 -3.580 31.780 1.00 8.39 C +ATOM 97 O ILE A 15 0.904 -3.453 30.580 1.00 9.78 O +ATOM 98 CB ILE A 15 -0.733 -1.763 32.915 1.00 10.67 C +ATOM 99 CG1 ILE A 15 -2.175 -1.387 33.260 1.00 11.48 C +ATOM 100 CG2 ILE A 15 -0.115 -0.767 31.920 1.00 11.85 C +ATOM 101 CD1 ILE A 15 -3.206 -1.422 32.145 1.00 14.35 C +ATOM 102 N PHE A 16 1.569 -4.098 32.612 1.00 8.76 N +ATOM 103 CA PHE A 16 2.853 -4.601 32.085 1.00 8.16 C +ATOM 104 C PHE A 16 2.574 -5.632 31.024 1.00 9.08 C +ATOM 105 O PHE A 16 3.194 -5.562 29.947 1.00 10.04 O +ATOM 106 CB PHE A 16 3.649 -5.191 33.249 1.00 9.35 C +ATOM 107 CG PHE A 16 4.994 -5.755 32.831 1.00 8.89 C +ATOM 108 CD1 PHE A 16 6.060 -4.933 32.542 1.00 9.86 C +ATOM 109 CD2 PHE A 16 5.165 -7.132 32.733 1.00 11.72 C +ATOM 110 CE1 PHE A 16 7.274 -5.504 32.184 1.00 11.54 C +ATOM 111 CE2 PHE A 16 6.390 -7.674 32.366 1.00 12.92 C +ATOM 112 CZ PHE A 16 7.438 -6.845 32.067 1.00 12.57 C +ATOM 113 N HIS A 17 1.769 -6.651 31.338 1.00 9.15 N +ATOM 114 CA HIS A 17 1.527 -7.741 30.372 1.00 10.18 C +ATOM 115 C HIS A 17 0.785 -7.306 29.134 1.00 10.19 C +ATOM 116 O HIS A 17 1.029 -7.884 28.064 1.00 11.53 O +ATOM 117 CB HIS A 17 0.768 -8.888 31.023 1.00 11.56 C +ATOM 118 CG HIS A 17 1.627 -9.711 31.926 1.00 11.61 C +ATOM 119 ND1 HIS A 17 1.144 -10.427 33.015 1.00 17.34 N +ATOM 120 CD2 HIS A 17 2.947 -9.956 31.900 1.00 12.98 C +ATOM 121 CE1 HIS A 17 2.152 -11.090 33.576 1.00 18.25 C +ATOM 122 NE2 HIS A 17 3.293 -10.838 32.914 1.00 15.22 N +ATOM 123 N LYS A 18 -0.003 -6.245 29.205 1.00 10.54 N +ATOM 124 CA LYS A 18 -0.650 -5.742 28.007 1.00 11.04 C +ATOM 125 C LYS A 18 0.403 -5.367 26.983 1.00 11.53 C +ATOM 126 O LYS A 18 0.213 -5.546 25.755 1.00 13.76 O +ATOM 127 CB LYS A 18 -1.496 -4.532 28.370 1.00 10.40 C +ATOM 128 CG LYS A 18 -2.140 -3.839 27.164 1.00 13.02 C +ATOM 129 CD LYS A 18 -3.073 -2.722 27.644 1.00 12.94 C +ATOM 130 CE LYS A 18 -3.652 -1.960 26.471 1.00 15.41 C +ATOM 131 NZ LYS A 18 -4.621 -0.887 26.924 1.00 18.42 N +ATOM 132 N TYR A 19 1.507 -4.767 27.416 1.00 10.30 N +ATOM 133 CA TYR A 19 2.545 -4.343 26.483 1.00 9.88 C +ATOM 134 C TYR A 19 3.629 -5.387 26.343 1.00 10.86 C +ATOM 135 O TYR A 19 4.162 -5.527 25.212 1.00 11.99 O +ATOM 136 CB TYR A 19 3.098 -2.982 26.988 1.00 10.17 C +ATOM 137 CG TYR A 19 2.054 -1.908 26.806 1.00 10.53 C +ATOM 138 CD1 TYR A 19 1.060 -1.699 27.767 1.00 9.70 C +ATOM 139 CD2 TYR A 19 1.986 -1.129 25.646 1.00 12.17 C +ATOM 140 CE1 TYR A 19 0.065 -0.767 27.598 1.00 10.98 C +ATOM 141 CE2 TYR A 19 1.000 -0.160 25.475 1.00 12.68 C +ATOM 142 CZ TYR A 19 0.033 -0.024 26.441 1.00 12.24 C +ATOM 143 OH TYR A 19 -0.957 0.942 26.233 1.00 13.17 O +ATOM 144 N SER A 20 4.039 -6.086 27.385 1.00 9.94 N +ATOM 145 CA SER A 20 5.122 -7.057 27.282 1.00 10.39 C +ATOM 146 C SER A 20 4.719 -8.221 26.373 1.00 11.35 C +ATOM 147 O SER A 20 5.595 -8.868 25.788 1.00 13.49 O +ATOM 148 CB SER A 20 5.555 -7.571 28.641 1.00 11.53 C +ATOM 149 OG SER A 20 4.584 -8.448 29.154 1.00 11.24 O +ATOM 150 N GLY A 21 3.434 -8.508 26.300 1.00 13.14 N +ATOM 151 CA GLY A 21 2.984 -9.594 25.419 1.00 17.96 C +ATOM 152 C GLY A 21 3.018 -9.136 23.984 1.00 19.55 C +ATOM 153 O GLY A 21 3.015 -10.068 23.155 1.00 23.91 O +ATOM 154 N ARG A 22 3.164 -7.927 23.545 1.00 18.53 N +ATOM 155 CA ARG A 22 3.082 -7.577 22.122 1.00 20.01 C +ATOM 156 C ARG A 22 4.176 -8.175 21.275 1.00 21.66 C +ATOM 157 O ARG A 22 3.916 -8.542 20.090 1.00 22.81 O +ATOM 158 CB ARG A 22 3.113 -6.054 22.013 1.00 20.80 C +ATOM 159 CG ARG A 22 1.763 -5.509 22.479 1.00 21.11 C +ATOM 160 CD ARG A 22 1.760 -3.980 22.457 1.00 21.94 C +ATOM 161 NE ARG A 22 0.407 -3.560 22.819 1.00 22.32 N +ATOM 162 CZ ARG A 22 -0.086 -2.334 22.742 1.00 21.00 C +ATOM 163 NH1 ARG A 22 0.687 -1.355 22.334 1.00 21.62 N +ATOM 164 NH2 ARG A 22 -1.342 -2.131 23.102 1.00 23.29 N +ATOM 165 N GLU A 23 5.375 -8.294 21.815 1.00 20.72 N +ATOM 166 CA GLU A 23 6.404 -8.922 20.989 1.00 22.00 C +ATOM 167 C GLU A 23 7.325 -9.761 21.832 1.00 20.99 C +ATOM 168 O GLU A 23 7.654 -9.423 22.977 1.00 19.14 O +ATOM 169 CB GLU A 23 7.099 -7.885 20.152 1.00 26.10 C +ATOM 170 CG GLU A 23 8.154 -6.981 20.718 1.00 30.65 C +ATOM 171 CD GLU A 23 9.151 -6.670 19.600 1.00 33.71 C +ATOM 172 OE1 GLU A 23 8.857 -5.762 18.801 1.00 35.64 O +ATOM 173 OE2 GLU A 23 10.180 -7.373 19.528 1.00 35.95 O +ATOM 174 N GLY A 24 7.675 -10.938 21.300 1.00 19.49 N +ATOM 175 CA GLY A 24 8.624 -11.825 21.942 1.00 20.30 C +ATOM 176 C GLY A 24 8.226 -12.349 23.297 1.00 19.06 C +ATOM 177 O GLY A 24 7.192 -12.927 23.579 1.00 21.57 O +ATOM 178 N ASP A 25 9.220 -12.239 24.189 1.00 20.16 N +ATOM 179 CA ASP A 25 9.133 -12.651 25.575 1.00 19.95 C +ATOM 180 C ASP A 25 8.096 -11.879 26.355 1.00 15.18 C +ATOM 181 O ASP A 25 8.253 -10.647 26.434 1.00 15.94 O +ATOM 182 CB ASP A 25 10.537 -12.357 26.143 1.00 21.47 C +ATOM 183 CG ASP A 25 10.743 -12.853 27.557 1.00 20.34 C +ATOM 184 OD1 ASP A 25 9.864 -13.517 28.144 1.00 20.97 O +ATOM 185 OD2 ASP A 25 11.865 -12.564 28.057 1.00 23.58 O +ATOM 186 N LYS A 26 7.174 -12.459 27.074 1.00 14.96 N +ATOM 187 CA LYS A 26 6.217 -11.746 27.896 1.00 16.04 C +ATOM 188 C LYS A 26 6.883 -11.215 29.141 1.00 13.85 C +ATOM 189 O LYS A 26 6.259 -10.425 29.888 1.00 14.46 O +ATOM 190 CB LYS A 26 5.056 -12.668 28.301 1.00 20.71 C +ATOM 191 CG LYS A 26 5.424 -13.833 29.196 1.00 24.66 C +ATOM 192 CD LYS A 26 4.211 -14.405 29.917 1.00 27.95 C +ATOM 193 CE LYS A 26 4.553 -15.556 30.837 1.00 29.58 C +ATOM 194 NZ LYS A 26 3.537 -15.692 31.924 1.00 32.29 N +ATOM 195 N HIS A 27 8.139 -11.561 29.431 1.00 12.15 N +ATOM 196 CA HIS A 27 8.815 -11.057 30.599 1.00 10.45 C +ATOM 197 C HIS A 27 9.462 -9.687 30.367 1.00 10.06 C +ATOM 198 O HIS A 27 10.008 -9.177 31.358 1.00 10.81 O +ATOM 199 CB HIS A 27 9.841 -12.059 31.105 1.00 11.53 C +ATOM 200 CG HIS A 27 9.287 -13.396 31.503 1.00 12.19 C +ATOM 201 ND1 HIS A 27 9.211 -14.465 30.635 1.00 14.58 N +ATOM 202 CD2 HIS A 27 8.796 -13.793 32.686 1.00 14.48 C +ATOM 203 CE1 HIS A 27 8.647 -15.464 31.319 1.00 14.85 C +ATOM 204 NE2 HIS A 27 8.410 -15.119 32.550 1.00 15.67 N +ATOM 205 N THR A 28 9.508 -9.158 29.138 1.00 10.11 N +ATOM 206 CA THR A 28 10.171 -7.850 28.975 1.00 10.65 C +ATOM 207 C THR A 28 9.359 -7.023 27.944 1.00 10.24 C +ATOM 208 O THR A 28 8.555 -7.548 27.192 1.00 11.50 O +ATOM 209 CB THR A 28 11.628 -7.911 28.553 1.00 12.44 C +ATOM 210 OG1 THR A 28 11.764 -8.510 27.268 1.00 15.92 O +ATOM 211 CG2 THR A 28 12.586 -8.612 29.507 1.00 12.45 C +ATOM 212 N LEU A 29 9.658 -5.731 27.955 1.00 10.89 N +ATOM 213 CA LEU A 29 9.117 -4.823 26.925 1.00 10.80 C +ATOM 214 C LEU A 29 10.267 -3.850 26.613 1.00 10.54 C +ATOM 215 O LEU A 29 11.119 -3.557 27.442 1.00 11.41 O +ATOM 216 CB LEU A 29 7.826 -4.115 27.246 1.00 11.86 C +ATOM 217 CG LEU A 29 7.882 -2.946 28.228 1.00 12.37 C +ATOM 218 CD1 LEU A 29 6.603 -2.122 28.202 1.00 14.64 C +ATOM 219 CD2 LEU A 29 8.236 -3.355 29.649 1.00 15.22 C +ATOM 220 N SER A 30 10.262 -3.308 25.402 1.00 10.81 N +ATOM 221 CA SER A 30 11.283 -2.332 25.047 1.00 10.37 C +ATOM 222 C SER A 30 10.996 -0.968 25.641 1.00 9.89 C +ATOM 223 O SER A 30 9.850 -0.661 25.997 1.00 9.76 O +ATOM 224 CB SER A 30 11.336 -2.225 23.511 1.00 12.57 C +ATOM 225 OG SER A 30 10.203 -1.511 23.043 1.00 13.42 O +ATOM 226 N LYS A 31 12.016 -0.105 25.704 1.00 10.03 N +ATOM 227 CA LYS A 31 11.773 1.260 26.205 1.00 10.85 C +ATOM 228 C LYS A 31 10.876 2.050 25.251 1.00 10.17 C +ATOM 229 O LYS A 31 10.119 2.892 25.759 1.00 10.71 O +ATOM 230 CB LYS A 31 13.089 1.943 26.529 1.00 10.57 C +ATOM 231 CG LYS A 31 13.728 1.360 27.800 1.00 11.90 C +ATOM 232 CD LYS A 31 15.022 2.064 28.173 1.00 12.41 C +ATOM 233 CE LYS A 31 15.627 1.362 29.394 1.00 15.64 C +ATOM 234 NZ LYS A 31 17.005 1.865 29.701 1.00 18.99 N +ATOM 235 N LYS A 32 10.908 1.741 23.967 1.00 10.60 N +ATOM 236 CA LYS A 32 9.933 2.351 23.049 1.00 12.50 C +ATOM 237 C LYS A 32 8.494 2.022 23.460 1.00 11.34 C +ATOM 238 O LYS A 32 7.587 2.861 23.528 1.00 11.72 O +ATOM 239 CB LYS A 32 10.182 1.817 21.628 1.00 15.21 C +ATOM 240 CG LYS A 32 9.303 2.462 20.567 1.00 19.91 C +ATOM 241 CD LYS A 32 9.579 1.890 19.171 1.00 24.30 C +ATOM 242 CE LYS A 32 8.821 2.721 18.127 1.00 27.74 C +ATOM 243 NZ LYS A 32 9.206 2.367 16.730 1.00 31.05 N +ATOM 244 N GLU A 33 8.322 0.736 23.757 1.00 10.93 N +ATOM 245 CA GLU A 33 7.022 0.252 24.218 1.00 11.52 C +ATOM 246 C GLU A 33 6.639 0.844 25.577 1.00 9.66 C +ATOM 247 O GLU A 33 5.425 1.144 25.783 1.00 10.56 O +ATOM 248 CB GLU A 33 6.966 -1.268 24.252 1.00 13.65 C +ATOM 249 CG GLU A 33 7.046 -1.953 22.906 1.00 19.93 C +ATOM 250 CD GLU A 33 7.301 -3.442 22.880 1.00 21.52 C +ATOM 251 OE1 GLU A 33 8.208 -4.092 23.476 1.00 21.90 O +ATOM 252 OE2 GLU A 33 6.554 -4.113 22.115 1.00 26.04 O +ATOM 253 N LEU A 34 7.571 0.992 26.482 1.00 9.24 N +ATOM 254 CA LEU A 34 7.290 1.599 27.772 1.00 8.92 C +ATOM 255 C LEU A 34 6.841 3.037 27.604 1.00 9.20 C +ATOM 256 O LEU A 34 5.933 3.493 28.307 1.00 9.70 O +ATOM 257 CB LEU A 34 8.542 1.505 28.634 1.00 9.44 C +ATOM 258 CG LEU A 34 8.414 2.094 30.039 1.00 8.51 C +ATOM 259 CD1 LEU A 34 7.221 1.523 30.786 1.00 10.30 C +ATOM 260 CD2 LEU A 34 9.723 1.887 30.769 1.00 10.81 C +ATOM 261 N LYS A 35 7.472 3.784 26.685 1.00 9.26 N +ATOM 262 CA LYS A 35 7.035 5.150 26.417 1.00 9.79 C +ATOM 263 C LYS A 35 5.600 5.201 25.929 1.00 11.32 C +ATOM 264 O LYS A 35 4.784 6.032 26.381 1.00 11.21 O +ATOM 265 CB LYS A 35 7.990 5.850 25.452 1.00 11.77 C +ATOM 266 CG LYS A 35 7.643 7.340 25.316 1.00 12.84 C +ATOM 267 CD LYS A 35 8.481 7.976 24.200 1.00 17.49 C +ATOM 268 CE LYS A 35 7.995 9.399 23.980 1.00 20.42 C +ATOM 269 NZ LYS A 35 8.478 10.013 22.719 1.00 20.71 N +ATOM 270 N GLU A 36 5.241 4.297 25.024 1.00 10.43 N +ATOM 271 CA GLU A 36 3.880 4.161 24.551 1.00 12.55 C +ATOM 272 C GLU A 36 2.930 3.810 25.684 1.00 11.03 C +ATOM 273 O GLU A 36 1.815 4.402 25.791 1.00 11.52 O +ATOM 274 CB AGLU A 36 3.790 3.086 23.465 0.50 15.26 C +ATOM 275 CB BGLU A 36 3.826 3.124 23.426 0.50 14.31 C +ATOM 276 CG AGLU A 36 4.652 3.277 22.233 0.50 18.72 C +ATOM 277 CG BGLU A 36 2.409 2.826 22.971 0.50 16.32 C +ATOM 278 CD AGLU A 36 4.940 1.961 21.528 0.50 21.42 C +ATOM 279 CD BGLU A 36 2.331 1.751 21.908 0.50 19.77 C +ATOM 280 OE1AGLU A 36 4.053 1.080 21.521 0.50 22.84 O +ATOM 281 OE1BGLU A 36 3.243 1.518 21.091 0.50 22.05 O +ATOM 282 OE2AGLU A 36 6.054 1.803 20.975 0.50 22.29 O +ATOM 283 OE2BGLU A 36 1.257 1.117 21.892 0.50 20.73 O +ATOM 284 N LEU A 37 3.309 2.866 26.553 1.00 10.55 N +ATOM 285 CA LEU A 37 2.514 2.498 27.702 1.00 9.44 C +ATOM 286 C LEU A 37 2.235 3.729 28.564 1.00 9.74 C +ATOM 287 O LEU A 37 1.069 4.003 28.966 1.00 9.97 O +ATOM 288 CB LEU A 37 3.300 1.405 28.453 1.00 10.09 C +ATOM 289 CG LEU A 37 2.691 0.823 29.739 1.00 9.79 C +ATOM 290 CD1 LEU A 37 3.486 -0.455 30.057 1.00 9.91 C +ATOM 291 CD2 LEU A 37 2.731 1.749 30.939 1.00 10.32 C +ATOM 292 N ILE A 38 3.242 4.503 28.906 1.00 9.40 N +ATOM 293 CA ILE A 38 3.006 5.687 29.750 1.00 9.71 C +ATOM 294 C ILE A 38 2.065 6.677 29.069 1.00 10.74 C +ATOM 295 O ILE A 38 1.148 7.203 29.742 1.00 11.24 O +ATOM 296 CB ILE A 38 4.362 6.354 30.080 1.00 12.12 C +ATOM 297 CG1 ILE A 38 5.222 5.429 30.942 1.00 12.96 C +ATOM 298 CG2 ILE A 38 4.194 7.757 30.689 1.00 13.21 C +ATOM 299 CD1 ILE A 38 4.665 4.980 32.239 1.00 16.53 C +ATOM 300 N GLN A 39 2.259 6.938 27.796 1.00 10.07 N +ATOM 301 CA GLN A 39 1.434 7.938 27.122 1.00 11.90 C +ATOM 302 C GLN A 39 0.010 7.466 26.946 1.00 11.28 C +ATOM 303 O GLN A 39 -0.951 8.287 26.948 1.00 14.18 O +ATOM 304 CB GLN A 39 2.056 8.251 25.759 1.00 13.66 C +ATOM 305 CG GLN A 39 3.373 8.989 25.802 1.00 16.95 C +ATOM 306 CD GLN A 39 4.093 9.116 24.471 1.00 21.11 C +ATOM 307 OE1 GLN A 39 3.922 8.281 23.581 1.00 23.98 O +ATOM 308 NE2 GLN A 39 4.928 10.134 24.327 1.00 25.01 N +ATOM 309 N LYS A 40 -0.234 6.169 26.813 1.00 10.70 N +ATOM 310 CA LYS A 40 -1.577 5.668 26.645 1.00 11.67 C +ATOM 311 C LYS A 40 -2.285 5.328 27.924 1.00 9.85 C +ATOM 312 O LYS A 40 -3.535 5.458 27.978 1.00 13.77 O +ATOM 313 CB LYS A 40 -1.527 4.419 25.720 1.00 14.02 C +ATOM 314 CG LYS A 40 -1.066 4.865 24.325 1.00 20.51 C +ATOM 315 CD LYS A 40 -1.239 3.828 23.240 1.00 24.41 C +ATOM 316 CE LYS A 40 -1.459 4.446 21.871 1.00 29.04 C +ATOM 317 NZ LYS A 40 -0.917 5.835 21.809 1.00 32.85 N +ATOM 318 N GLU A 41 -1.569 4.943 28.979 1.00 9.59 N +ATOM 319 CA GLU A 41 -2.203 4.403 30.161 1.00 8.85 C +ATOM 320 C GLU A 41 -2.338 5.403 31.280 1.00 8.28 C +ATOM 321 O GLU A 41 -2.994 5.096 32.284 1.00 9.81 O +ATOM 322 CB GLU A 41 -1.411 3.169 30.622 1.00 9.43 C +ATOM 323 CG GLU A 41 -1.379 2.042 29.599 1.00 10.66 C +ATOM 324 CD GLU A 41 -2.713 1.464 29.235 1.00 11.38 C +ATOM 325 OE1 GLU A 41 -3.653 1.493 30.038 1.00 11.85 O +ATOM 326 OE2 GLU A 41 -2.810 0.898 28.101 1.00 12.47 O +ATOM 327 N LEU A 42 -1.710 6.544 31.202 1.00 8.97 N +ATOM 328 CA LEU A 42 -1.808 7.600 32.207 1.00 8.87 C +ATOM 329 C LEU A 42 -2.396 8.869 31.548 1.00 8.39 C +ATOM 330 O LEU A 42 -2.085 9.134 30.383 1.00 9.77 O +ATOM 331 CB LEU A 42 -0.428 7.974 32.746 1.00 9.80 C +ATOM 332 CG LEU A 42 0.277 6.840 33.481 1.00 10.27 C +ATOM 333 CD1 LEU A 42 1.667 7.239 33.925 1.00 11.98 C +ATOM 334 CD2 LEU A 42 -0.531 6.396 34.694 1.00 10.80 C +ATOM 335 N THR A 43 -3.095 9.655 32.344 1.00 9.41 N +ATOM 336 CA THR A 43 -3.571 10.956 31.804 1.00 8.61 C +ATOM 337 C THR A 43 -2.431 11.945 31.977 1.00 9.63 C +ATOM 338 O THR A 43 -2.438 12.790 32.894 1.00 9.83 O +ATOM 339 CB THR A 43 -4.862 11.405 32.495 1.00 9.96 C +ATOM 340 OG1 THR A 43 -5.844 10.369 32.264 1.00 10.67 O +ATOM 341 CG2 THR A 43 -5.399 12.724 31.939 1.00 10.48 C +ATOM 342 N ILE A 44 -1.433 11.804 31.129 1.00 8.77 N +ATOM 343 CA ILE A 44 -0.194 12.577 31.267 1.00 9.87 C +ATOM 344 C ILE A 44 -0.064 13.608 30.167 1.00 9.30 C +ATOM 345 O ILE A 44 0.909 14.362 30.162 1.00 10.20 O +ATOM 346 CB ILE A 44 0.987 11.582 31.348 1.00 9.84 C +ATOM 347 CG1 ILE A 44 2.317 12.223 31.815 1.00 10.72 C +ATOM 348 CG2 ILE A 44 1.178 10.852 30.037 1.00 11.72 C +ATOM 349 CD1 ILE A 44 3.308 11.190 32.315 1.00 11.70 C +ATOM 350 N GLY A 45 -1.031 13.682 29.256 1.00 10.11 N +ATOM 351 CA GLY A 45 -0.876 14.581 28.122 1.00 11.05 C +ATOM 352 C GLY A 45 -0.688 16.028 28.518 1.00 12.14 C +ATOM 353 O GLY A 45 0.037 16.753 27.779 1.00 16.66 O +ATOM 354 N SER A 46 -1.201 16.534 29.595 1.00 10.75 N +ATOM 355 CA SER A 46 -1.015 17.939 29.973 1.00 11.74 C +ATOM 356 C SER A 46 0.342 18.173 30.592 1.00 10.72 C +ATOM 357 O SER A 46 0.726 19.352 30.820 1.00 12.13 O +ATOM 358 CB SER A 46 -2.121 18.364 30.940 1.00 12.30 C +ATOM 359 OG SER A 46 -1.908 17.866 32.207 1.00 12.89 O +ATOM 360 N LYS A 47 1.099 17.112 30.909 1.00 10.73 N +ATOM 361 CA LYS A 47 2.309 17.237 31.678 1.00 11.68 C +ATOM 362 C LYS A 47 3.565 16.835 30.941 1.00 11.35 C +ATOM 363 O LYS A 47 4.663 16.855 31.492 1.00 12.36 O +ATOM 364 CB LYS A 47 2.215 16.319 32.928 1.00 14.48 C +ATOM 365 CG LYS A 47 1.052 16.737 33.815 1.00 19.09 C +ATOM 366 CD LYS A 47 0.826 15.909 35.047 1.00 23.25 C +ATOM 367 CE LYS A 47 -0.553 16.280 35.582 1.00 26.98 C +ATOM 368 NZ LYS A 47 -0.631 17.701 36.001 1.00 29.76 N +ATOM 369 N LEU A 48 3.419 16.403 29.684 1.00 13.93 N +ATOM 370 CA LEU A 48 4.585 15.876 28.945 1.00 14.83 C +ATOM 371 C LEU A 48 5.673 16.906 28.698 1.00 16.10 C +ATOM 372 O LEU A 48 6.811 16.436 28.476 1.00 17.75 O +ATOM 373 CB LEU A 48 4.133 15.139 27.689 1.00 15.65 C +ATOM 374 CG LEU A 48 3.461 13.779 27.913 1.00 14.72 C +ATOM 375 CD1 LEU A 48 2.771 13.376 26.608 1.00 16.78 C +ATOM 376 CD2 LEU A 48 4.368 12.664 28.379 1.00 15.22 C +ATOM 377 N GLN A 49 5.397 18.200 28.771 1.00 15.08 N +ATOM 378 CA GLN A 49 6.431 19.199 28.612 1.00 16.62 C +ATOM 379 C GLN A 49 6.953 19.716 29.934 1.00 14.64 C +ATOM 380 O GLN A 49 7.816 20.620 29.909 1.00 16.03 O +ATOM 381 CB GLN A 49 5.876 20.356 27.772 1.00 19.78 C +ATOM 382 CG GLN A 49 5.367 19.898 26.416 1.00 26.23 C +ATOM 383 CD GLN A 49 6.382 19.885 25.307 1.00 29.48 C +ATOM 384 OE1 GLN A 49 7.570 19.614 25.501 1.00 32.75 O +ATOM 385 NE2 GLN A 49 5.910 20.188 24.095 1.00 30.41 N +ATOM 386 N ASP A 50 6.520 19.183 31.061 1.00 12.89 N +ATOM 387 CA ASP A 50 7.093 19.526 32.357 1.00 12.08 C +ATOM 388 C ASP A 50 8.552 19.156 32.281 1.00 9.92 C +ATOM 389 O ASP A 50 8.950 18.152 31.704 1.00 11.95 O +ATOM 390 CB ASP A 50 6.381 18.677 33.410 1.00 14.01 C +ATOM 391 CG ASP A 50 7.110 18.613 34.721 1.00 17.43 C +ATOM 392 OD1 ASP A 50 6.878 19.590 35.482 1.00 20.67 O +ATOM 393 OD2 ASP A 50 7.907 17.674 34.962 1.00 18.35 O +ATOM 394 N ALA A 51 9.399 19.986 32.896 1.00 10.99 N +ATOM 395 CA ALA A 51 10.830 19.806 32.740 1.00 12.06 C +ATOM 396 C ALA A 51 11.309 18.415 33.110 1.00 11.98 C +ATOM 397 O ALA A 51 12.061 17.761 32.363 1.00 13.23 O +ATOM 398 CB ALA A 51 11.610 20.847 33.520 1.00 12.71 C +ATOM 399 N GLU A 52 10.891 17.878 34.248 1.00 10.90 N +ATOM 400 CA GLU A 52 11.389 16.568 34.646 1.00 11.65 C +ATOM 401 C GLU A 52 10.754 15.435 33.867 1.00 10.18 C +ATOM 402 O GLU A 52 11.441 14.499 33.479 1.00 11.59 O +ATOM 403 CB GLU A 52 11.177 16.419 36.160 1.00 13.55 C +ATOM 404 CG GLU A 52 12.087 17.382 36.916 1.00 15.11 C +ATOM 405 CD GLU A 52 11.676 17.454 38.372 1.00 20.07 C +ATOM 406 OE1 GLU A 52 10.691 18.155 38.635 1.00 23.92 O +ATOM 407 OE2 GLU A 52 12.439 16.843 39.130 1.00 22.77 O +ATOM 408 N ILE A 53 9.445 15.519 33.600 1.00 10.19 N +ATOM 409 CA ILE A 53 8.811 14.418 32.854 1.00 10.60 C +ATOM 410 C ILE A 53 9.364 14.332 31.457 1.00 10.16 C +ATOM 411 O ILE A 53 9.622 13.236 30.952 1.00 10.91 O +ATOM 412 CB ILE A 53 7.303 14.586 32.852 1.00 10.34 C +ATOM 413 CG1 ILE A 53 6.744 14.356 34.246 1.00 11.56 C +ATOM 414 CG2 ILE A 53 6.611 13.655 31.859 1.00 12.05 C +ATOM 415 CD1 ILE A 53 5.258 14.634 34.392 1.00 12.75 C +ATOM 416 N ALA A 54 9.624 15.470 30.817 1.00 10.05 N +ATOM 417 CA ALA A 54 10.118 15.451 29.437 1.00 10.52 C +ATOM 418 C ALA A 54 11.473 14.767 29.392 1.00 11.00 C +ATOM 419 O ALA A 54 11.793 14.070 28.420 1.00 12.15 O +ATOM 420 CB ALA A 54 10.231 16.871 28.958 1.00 11.86 C +ATOM 421 N ARG A 55 12.302 14.895 30.401 1.00 11.04 N +ATOM 422 CA ARG A 55 13.602 14.235 30.397 1.00 11.69 C +ATOM 423 C ARG A 55 13.435 12.746 30.560 1.00 12.08 C +ATOM 424 O ARG A 55 14.195 11.958 29.972 1.00 12.67 O +ATOM 425 CB ARG A 55 14.499 14.781 31.492 1.00 14.20 C +ATOM 426 CG ARG A 55 15.427 15.868 30.918 1.00 15.63 C +ATOM 427 CD ARG A 55 14.649 17.139 30.650 1.00 17.82 C +ATOM 428 NE ARG A 55 14.221 17.324 29.268 1.00 17.02 N +ATOM 429 CZ ARG A 55 13.471 18.372 28.944 1.00 17.39 C +ATOM 430 NH1 ARG A 55 13.083 19.147 29.952 1.00 15.49 N +ATOM 431 NH2 ARG A 55 13.157 18.544 27.673 1.00 16.93 N +ATOM 432 N LEU A 56 12.469 12.258 31.342 1.00 12.26 N +ATOM 433 CA LEU A 56 12.247 10.805 31.436 1.00 13.39 C +ATOM 434 C LEU A 56 11.780 10.292 30.082 1.00 12.80 C +ATOM 435 O LEU A 56 12.227 9.200 29.626 1.00 14.17 O +ATOM 436 CB LEU A 56 11.139 10.577 32.457 1.00 16.62 C +ATOM 437 CG LEU A 56 11.417 10.607 33.944 1.00 20.81 C +ATOM 438 CD1 LEU A 56 10.347 9.741 34.648 1.00 23.46 C +ATOM 439 CD2 LEU A 56 12.801 10.156 34.360 1.00 23.20 C +ATOM 448 N GLU A 58 12.437 11.557 27.105 1.00 13.21 N +ATOM 449 CA GLU A 58 13.576 11.622 26.204 1.00 14.99 C +ATOM 450 C GLU A 58 14.497 10.460 26.484 1.00 13.45 C +ATOM 451 O GLU A 58 15.109 9.930 25.522 1.00 15.00 O +ATOM 452 CB GLU A 58 14.337 12.943 26.337 1.00 15.35 C +ATOM 453 CG GLU A 58 13.683 14.159 25.724 1.00 19.83 C +ATOM 454 CD GLU A 58 14.138 15.492 26.286 1.00 22.37 C +ATOM 455 OE1 GLU A 58 14.999 15.620 27.167 1.00 22.08 O +ATOM 456 OE2 GLU A 58 13.510 16.485 25.834 1.00 27.24 O +ATOM 457 N ASP A 59 14.701 10.107 27.737 1.00 12.08 N +ATOM 458 CA ASP A 59 15.609 8.991 28.019 1.00 14.59 C +ATOM 459 C ASP A 59 15.105 7.668 27.465 1.00 12.78 C +ATOM 460 O ASP A 59 15.868 6.871 26.931 1.00 13.92 O +ATOM 461 CB ASP A 59 15.931 8.902 29.516 1.00 18.14 C +ATOM 462 CG ASP A 59 17.233 8.089 29.638 1.00 24.10 C +ATOM 463 OD1 ASP A 59 18.328 8.509 29.168 1.00 27.27 O +ATOM 464 OD2 ASP A 59 17.182 6.993 30.190 1.00 28.61 O +ATOM 465 N LEU A 60 13.784 7.488 27.525 1.00 12.02 N +ATOM 466 CA LEU A 60 13.206 6.294 26.902 1.00 12.10 C +ATOM 467 C LEU A 60 13.480 6.311 25.410 1.00 12.17 C +ATOM 468 O LEU A 60 13.891 5.292 24.858 1.00 14.14 O +ATOM 469 CB LEU A 60 11.733 6.172 27.173 1.00 11.42 C +ATOM 470 CG LEU A 60 11.331 5.972 28.643 1.00 12.40 C +ATOM 471 CD1 LEU A 60 9.818 5.836 28.804 1.00 13.24 C +ATOM 472 CD2 LEU A 60 11.994 4.714 29.196 1.00 14.89 C +ATOM 473 N ASP A 61 13.248 7.413 24.722 1.00 13.65 N +ATOM 474 CA ASP A 61 13.506 7.457 23.277 1.00 13.91 C +ATOM 475 C ASP A 61 14.991 7.313 22.995 1.00 13.43 C +ATOM 476 O ASP A 61 15.294 6.539 22.057 1.00 14.06 O +ATOM 477 CB ASP A 61 13.040 8.808 22.741 1.00 18.75 C +ATOM 478 CG ASP A 61 11.573 8.917 22.384 1.00 23.60 C +ATOM 479 OD1 ASP A 61 10.916 7.939 21.986 1.00 28.67 O +ATOM 480 OD2 ASP A 61 11.030 10.035 22.459 1.00 27.28 O +ATOM 481 N ARG A 62 15.889 7.841 23.773 1.00 13.37 N +ATOM 482 CA ARG A 62 17.318 7.688 23.517 1.00 14.74 C +ATOM 483 C ARG A 62 17.776 6.257 23.692 1.00 13.14 C +ATOM 484 O ARG A 62 18.757 5.836 23.074 1.00 14.87 O +ATOM 485 CB ARG A 62 18.052 8.615 24.495 1.00 17.91 C +ATOM 486 CG ARG A 62 18.084 10.054 24.010 1.00 24.06 C +ATOM 487 CD ARG A 62 19.290 10.813 24.538 1.00 29.58 C +ATOM 488 NE ARG A 62 20.043 11.569 23.552 1.00 33.45 N +ATOM 489 CZ ARG A 62 19.601 12.363 22.587 1.00 34.68 C +ATOM 490 NH1 ARG A 62 18.311 12.586 22.375 1.00 36.48 N +ATOM 491 NH2 ARG A 62 20.470 12.965 21.779 1.00 36.36 N +ATOM 492 N ASN A 63 17.060 5.461 24.500 1.00 12.19 N +ATOM 493 CA ASN A 63 17.373 4.073 24.775 1.00 12.31 C +ATOM 494 C ASN A 63 16.262 3.159 24.318 1.00 11.50 C +ATOM 495 O ASN A 63 16.043 2.075 24.892 1.00 11.63 O +ATOM 496 CB ASN A 63 17.581 3.886 26.299 1.00 13.22 C +ATOM 497 CG ASN A 63 18.810 4.684 26.659 1.00 14.20 C +ATOM 498 OD1 ASN A 63 19.944 4.288 26.330 1.00 15.11 O +ATOM 499 ND2 ASN A 63 18.635 5.848 27.261 1.00 18.32 N +ATOM 500 N LYS A 64 15.597 3.509 23.229 1.00 11.57 N +ATOM 501 CA LYS A 64 14.360 2.874 22.790 1.00 11.42 C +ATOM 502 C LYS A 64 14.406 1.392 22.553 1.00 11.97 C +ATOM 503 O LYS A 64 13.391 0.696 22.704 1.00 11.94 O +ATOM 504 CB LYS A 64 13.901 3.583 21.490 1.00 13.52 C +ATOM 505 CG LYS A 64 14.879 3.429 20.324 1.00 13.24 C +ATOM 506 CD LYS A 64 14.382 4.236 19.121 1.00 14.96 C +ATOM 507 CE ALYS A 64 15.284 3.994 17.912 0.50 15.65 C +ATOM 508 CE BLYS A 64 15.476 4.331 18.044 0.50 13.53 C +ATOM 509 NZ ALYS A 64 15.050 5.052 16.892 0.50 17.56 N +ATOM 510 NZ BLYS A 64 15.643 3.020 17.353 0.50 14.70 N +ATOM 511 N ASP A 65 15.564 0.862 22.165 1.00 12.09 N +ATOM 512 CA ASP A 65 15.668 -0.572 21.862 1.00 13.12 C +ATOM 513 C ASP A 65 16.099 -1.402 23.059 1.00 12.89 C +ATOM 514 O ASP A 65 16.278 -2.629 22.876 1.00 17.23 O +ATOM 515 CB ASP A 65 16.600 -0.772 20.665 1.00 15.62 C +ATOM 516 CG ASP A 65 16.014 -0.129 19.416 1.00 18.19 C +ATOM 517 OD1 ASP A 65 14.844 -0.448 19.105 1.00 20.67 O +ATOM 518 OD2 ASP A 65 16.688 0.718 18.776 1.00 20.33 O +ATOM 519 N GLN A 66 16.416 -0.788 24.156 1.00 12.36 N +ATOM 520 CA GLN A 66 16.778 -1.538 25.352 1.00 12.99 C +ATOM 521 C GLN A 66 15.546 -2.187 25.969 1.00 12.28 C +ATOM 522 O GLN A 66 14.427 -1.622 25.924 1.00 13.90 O +ATOM 523 CB GLN A 66 17.434 -0.623 26.362 1.00 13.18 C +ATOM 524 CG GLN A 66 18.801 -0.142 25.866 1.00 15.78 C +ATOM 525 CD GLN A 66 19.495 0.662 26.931 1.00 19.01 C +ATOM 526 OE1 GLN A 66 18.969 1.205 27.877 1.00 18.42 O +ATOM 527 NE2 GLN A 66 20.831 0.735 26.826 1.00 21.06 N +ATOM 528 N GLU A 67 15.673 -3.385 26.503 1.00 12.89 N +ATOM 529 CA GLU A 67 14.581 -4.109 27.141 1.00 12.09 C +ATOM 530 C GLU A 67 14.481 -3.728 28.603 1.00 11.04 C +ATOM 531 O GLU A 67 15.445 -3.305 29.205 1.00 12.48 O +ATOM 532 CB GLU A 67 14.745 -5.639 27.026 1.00 14.49 C +ATOM 533 CG GLU A 67 14.496 -6.041 25.562 1.00 18.19 C +ATOM 534 CD GLU A 67 13.108 -5.907 24.998 1.00 20.54 C +ATOM 535 OE1 GLU A 67 12.107 -6.329 25.625 1.00 21.34 O +ATOM 536 OE2 GLU A 67 12.881 -5.422 23.852 1.00 23.12 O +ATOM 537 N VAL A 68 13.285 -3.931 29.158 1.00 10.37 N +ATOM 538 CA VAL A 68 12.939 -3.637 30.538 1.00 10.29 C +ATOM 539 C VAL A 68 12.204 -4.869 31.105 1.00 8.78 C +ATOM 540 O VAL A 68 11.252 -5.284 30.464 1.00 10.11 O +ATOM 541 CB VAL A 68 11.987 -2.406 30.506 1.00 12.30 C +ATOM 542 CG1 VAL A 68 11.558 -2.001 31.903 1.00 13.01 C +ATOM 543 CG2 VAL A 68 12.549 -1.226 29.724 1.00 13.38 C +ATOM 544 N ASN A 69 12.668 -5.325 32.252 1.00 7.93 N +ATOM 545 CA ASN A 69 11.946 -6.428 32.910 1.00 7.86 C +ATOM 546 C ASN A 69 10.912 -5.828 33.856 1.00 7.77 C +ATOM 547 O ASN A 69 10.763 -4.608 34.002 1.00 7.86 O +ATOM 548 CB ASN A 69 12.903 -7.386 33.573 1.00 8.49 C +ATOM 549 CG ASN A 69 13.689 -6.823 34.742 1.00 8.82 C +ATOM 550 OD1 ASN A 69 13.409 -5.720 35.201 1.00 9.81 O +ATOM 551 ND2 ASN A 69 14.658 -7.588 35.223 1.00 10.04 N +ATOM 552 N PHE A 70 10.129 -6.704 34.521 1.00 8.08 N +ATOM 553 CA PHE A 70 9.079 -6.240 35.412 1.00 8.10 C +ATOM 554 C PHE A 70 9.616 -5.398 36.559 1.00 7.65 C +ATOM 555 O PHE A 70 9.080 -4.296 36.851 1.00 8.10 O +ATOM 556 CB PHE A 70 8.261 -7.432 35.926 1.00 8.35 C +ATOM 557 CG PHE A 70 7.189 -6.980 36.879 1.00 8.25 C +ATOM 558 CD1 PHE A 70 6.017 -6.452 36.446 1.00 8.50 C +ATOM 559 CD2 PHE A 70 7.386 -7.071 38.238 1.00 9.70 C +ATOM 560 CE1 PHE A 70 5.026 -6.040 37.347 1.00 9.78 C +ATOM 561 CE2 PHE A 70 6.427 -6.661 39.137 1.00 10.52 C +ATOM 562 CZ PHE A 70 5.241 -6.146 38.701 1.00 10.44 C +ATOM 563 N GLN A 71 10.675 -5.825 37.190 1.00 7.44 N +ATOM 564 CA GLN A 71 11.257 -5.057 38.287 1.00 8.50 C +ATOM 565 C GLN A 71 11.651 -3.658 37.826 1.00 8.15 C +ATOM 566 O GLN A 71 11.373 -2.668 38.552 1.00 8.68 O +ATOM 567 CB GLN A 71 12.481 -5.790 38.853 1.00 8.52 C +ATOM 568 CG GLN A 71 13.318 -4.993 39.859 1.00 9.66 C +ATOM 569 CD GLN A 71 12.620 -4.812 41.178 1.00 9.39 C +ATOM 570 OE1 GLN A 71 12.824 -5.612 42.097 1.00 11.83 O +ATOM 571 NE2 GLN A 71 11.828 -3.771 41.357 1.00 10.27 N +ATOM 572 N GLU A 72 12.286 -3.537 36.680 1.00 8.44 N +ATOM 573 CA GLU A 72 12.720 -2.225 36.194 1.00 8.59 C +ATOM 574 C GLU A 72 11.523 -1.381 35.793 1.00 7.80 C +ATOM 575 O GLU A 72 11.557 -0.131 36.009 1.00 8.51 O +ATOM 576 CB GLU A 72 13.649 -2.470 34.983 1.00 9.07 C +ATOM 577 CG GLU A 72 14.964 -3.108 35.428 1.00 11.55 C +ATOM 578 CD GLU A 72 15.631 -3.850 34.284 1.00 13.09 C +ATOM 579 OE1 GLU A 72 15.181 -3.923 33.152 1.00 14.35 O +ATOM 580 OE2 GLU A 72 16.728 -4.452 34.507 1.00 16.81 O +ATOM 581 N TYR A 73 10.484 -1.951 35.246 1.00 7.43 N +ATOM 582 CA TYR A 73 9.226 -1.248 34.947 1.00 8.26 C +ATOM 583 C TYR A 73 8.645 -0.677 36.207 1.00 7.99 C +ATOM 584 O TYR A 73 8.229 0.500 36.222 1.00 8.33 O +ATOM 585 CB TYR A 73 8.294 -2.194 34.222 1.00 8.17 C +ATOM 586 CG TYR A 73 6.825 -1.940 34.396 1.00 7.76 C +ATOM 587 CD1 TYR A 73 6.112 -1.029 33.635 1.00 7.91 C +ATOM 588 CD2 TYR A 73 6.077 -2.714 35.302 1.00 7.70 C +ATOM 589 CE1 TYR A 73 4.746 -0.876 33.766 1.00 8.31 C +ATOM 590 CE2 TYR A 73 4.700 -2.548 35.425 1.00 8.04 C +ATOM 591 CZ TYR A 73 4.035 -1.659 34.641 1.00 7.92 C +ATOM 592 OH TYR A 73 2.666 -1.498 34.733 1.00 9.08 O +ATOM 593 N VAL A 74 8.534 -1.453 37.277 1.00 8.14 N +ATOM 594 CA VAL A 74 7.980 -0.965 38.530 1.00 7.65 C +ATOM 595 C VAL A 74 8.838 0.148 39.090 1.00 7.78 C +ATOM 596 O VAL A 74 8.323 1.207 39.530 1.00 8.44 O +ATOM 597 CB VAL A 74 7.771 -2.108 39.528 1.00 8.90 C +ATOM 598 CG1 VAL A 74 7.323 -1.547 40.854 1.00 10.18 C +ATOM 599 CG2 VAL A 74 6.724 -3.097 39.016 1.00 9.34 C +ATOM 600 N THR A 75 10.176 -0.043 39.111 1.00 7.64 N +ATOM 601 CA THR A 75 11.050 1.036 39.570 1.00 7.99 C +ATOM 602 C THR A 75 10.797 2.319 38.799 1.00 7.92 C +ATOM 603 O THR A 75 10.781 3.407 39.377 1.00 8.73 O +ATOM 604 CB THR A 75 12.527 0.589 39.525 1.00 8.77 C +ATOM 605 OG1 THR A 75 12.642 -0.526 40.468 1.00 8.59 O +ATOM 606 CG2 THR A 75 13.518 1.678 39.788 1.00 9.51 C +ATOM 607 N PHE A 76 10.705 2.214 37.491 1.00 8.08 N +ATOM 608 CA PHE A 76 10.460 3.375 36.622 1.00 9.10 C +ATOM 609 C PHE A 76 9.159 4.041 36.964 1.00 8.58 C +ATOM 610 O PHE A 76 9.072 5.277 37.028 1.00 9.09 O +ATOM 611 CB PHE A 76 10.475 2.890 35.150 1.00 9.77 C +ATOM 612 CG PHE A 76 10.127 4.015 34.206 1.00 11.80 C +ATOM 613 CD1 PHE A 76 11.108 4.834 33.726 1.00 14.45 C +ATOM 614 CD2 PHE A 76 8.826 4.316 33.822 1.00 14.68 C +ATOM 615 CE1 PHE A 76 10.842 5.898 32.856 1.00 17.24 C +ATOM 616 CE2 PHE A 76 8.526 5.349 32.943 1.00 17.37 C +ATOM 617 CZ PHE A 76 9.561 6.127 32.492 1.00 17.67 C +ATOM 618 N LEU A 77 8.088 3.276 37.209 1.00 8.54 N +ATOM 619 CA LEU A 77 6.828 3.898 37.610 1.00 9.64 C +ATOM 620 C LEU A 77 6.985 4.657 38.892 1.00 8.60 C +ATOM 621 O LEU A 77 6.326 5.701 39.080 1.00 9.38 O +ATOM 622 CB LEU A 77 5.719 2.879 37.765 1.00 9.87 C +ATOM 623 CG LEU A 77 5.226 2.263 36.445 1.00 12.68 C +ATOM 624 CD1 LEU A 77 4.106 1.264 36.768 1.00 14.71 C +ATOM 625 CD2 LEU A 77 4.777 3.305 35.441 1.00 13.76 C +ATOM 626 N GLY A 78 7.787 4.190 39.824 1.00 8.59 N +ATOM 627 CA GLY A 78 8.057 4.946 41.042 1.00 8.97 C +ATOM 628 C GLY A 78 8.765 6.263 40.752 1.00 8.00 C +ATOM 629 O GLY A 78 8.372 7.336 41.281 1.00 9.33 O +ATOM 630 N ALA A 79 9.744 6.236 39.860 1.00 8.79 N +ATOM 631 CA ALA A 79 10.443 7.459 39.474 1.00 8.66 C +ATOM 632 C ALA A 79 9.476 8.439 38.854 1.00 8.61 C +ATOM 633 O ALA A 79 9.523 9.660 39.149 1.00 9.83 O +ATOM 634 CB ALA A 79 11.568 7.102 38.520 1.00 9.74 C +ATOM 635 N LEU A 80 8.620 7.964 37.952 1.00 8.36 N +ATOM 636 CA LEU A 80 7.677 8.862 37.294 1.00 9.74 C +ATOM 637 C LEU A 80 6.681 9.376 38.291 1.00 9.04 C +ATOM 638 O LEU A 80 6.343 10.579 38.251 1.00 9.68 O +ATOM 639 CB LEU A 80 6.960 8.048 36.212 1.00 10.30 C +ATOM 640 CG LEU A 80 5.826 8.797 35.487 1.00 11.08 C +ATOM 641 CD1 LEU A 80 6.338 10.076 34.855 1.00 13.31 C +ATOM 642 CD2 LEU A 80 5.206 7.918 34.425 1.00 14.04 C +ATOM 643 N ALA A 81 6.126 8.537 39.174 1.00 9.24 N +ATOM 644 CA ALA A 81 5.159 9.033 40.154 1.00 9.03 C +ATOM 645 C ALA A 81 5.681 10.198 40.946 1.00 8.61 C +ATOM 646 O ALA A 81 4.939 11.154 41.243 1.00 9.31 O +ATOM 647 CB ALA A 81 4.704 7.913 41.061 1.00 9.52 C +ATOM 648 N LEU A 82 6.951 10.182 41.336 1.00 8.54 N +ATOM 649 CA LEU A 82 7.497 11.295 42.097 1.00 10.14 C +ATOM 650 C LEU A 82 7.377 12.636 41.389 1.00 10.49 C +ATOM 651 O LEU A 82 7.245 13.673 42.088 1.00 12.23 O +ATOM 652 CB LEU A 82 8.982 11.016 42.381 1.00 10.20 C +ATOM 653 CG LEU A 82 9.216 9.977 43.476 1.00 11.35 C +ATOM 654 CD1 LEU A 82 10.598 9.364 43.412 1.00 13.93 C +ATOM 655 CD2 LEU A 82 8.977 10.583 44.879 1.00 11.23 C +ATOM 656 N ILE A 83 7.406 12.666 40.082 1.00 9.56 N +ATOM 657 CA ILE A 83 7.341 13.917 39.336 1.00 12.13 C +ATOM 658 C ILE A 83 6.010 14.082 38.662 1.00 11.17 C +ATOM 659 O ILE A 83 5.781 15.111 37.985 1.00 14.41 O +ATOM 660 CB ILE A 83 8.480 14.006 38.310 1.00 13.02 C +ATOM 661 CG1 ILE A 83 8.511 12.822 37.334 1.00 11.71 C +ATOM 662 CG2 ILE A 83 9.818 14.095 39.067 1.00 14.70 C +ATOM 663 CD1 ILE A 83 9.585 12.945 36.264 1.00 13.83 C +ATOM 664 N TYR A 84 5.045 13.198 38.763 1.00 11.74 N +ATOM 665 CA TYR A 84 3.767 13.244 38.108 1.00 11.09 C +ATOM 666 C TYR A 84 2.614 13.243 39.059 1.00 11.96 C +ATOM 667 O TYR A 84 1.573 13.890 38.764 1.00 13.66 O +ATOM 668 CB TYR A 84 3.707 12.012 37.186 1.00 12.44 C +ATOM 669 CG TYR A 84 2.369 11.663 36.628 1.00 11.44 C +ATOM 670 CD1 TYR A 84 1.747 12.436 35.657 1.00 11.72 C +ATOM 671 CD2 TYR A 84 1.713 10.520 37.070 1.00 12.27 C +ATOM 672 CE1 TYR A 84 0.501 12.114 35.168 1.00 11.20 C +ATOM 673 CE2 TYR A 84 0.477 10.172 36.575 1.00 10.91 C +ATOM 674 CZ TYR A 84 -0.118 10.965 35.594 1.00 10.32 C +ATOM 675 OH TYR A 84 -1.360 10.664 35.077 1.00 12.37 O +ATOM 676 N ASN A 85 2.627 12.456 40.122 1.00 12.77 N +ATOM 677 CA ASN A 85 1.478 12.355 41.021 1.00 13.50 C +ATOM 678 C ASN A 85 1.401 13.518 41.957 1.00 13.18 C +ATOM 679 O ASN A 85 2.337 13.907 42.619 1.00 13.50 O +ATOM 680 CB ASN A 85 1.616 10.970 41.679 1.00 15.02 C +ATOM 681 CG ASN A 85 0.397 10.677 42.535 1.00 16.69 C +ATOM 682 OD1 ASN A 85 0.499 11.183 43.633 1.00 17.96 O +ATOM 683 ND2 ASN A 85 -0.560 9.937 41.988 1.00 17.57 N +ATOM 684 N GLU A 86 0.192 14.171 42.071 1.00 16.16 N +ATOM 685 CA GLU A 86 0.016 15.342 42.888 1.00 16.94 C +ATOM 686 C GLU A 86 0.289 15.281 44.398 1.00 15.76 C +ATOM 687 O GLU A 86 0.816 16.138 45.062 1.00 17.96 O +ATOM 688 CB GLU A 86 -1.366 16.015 42.847 1.00 19.63 C +ATOM 689 CG GLU A 86 -1.603 17.158 41.935 1.00 21.66 C +ATOM 690 CD GLU A 86 -0.578 18.034 41.303 1.00 23.27 C +ATOM 691 OE1 GLU A 86 0.326 17.611 40.552 1.00 27.97 O +ATOM 692 OE2 GLU A 86 -0.624 19.275 41.509 1.00 27.69 O +ATOM 693 N ALA A 87 -0.100 14.082 44.906 1.00 17.62 N +ATOM 694 CA ALA A 87 0.083 13.751 46.309 1.00 19.58 C +ATOM 695 C ALA A 87 1.544 13.621 46.693 1.00 19.67 C +ATOM 696 O ALA A 87 1.852 13.771 47.876 1.00 24.19 O +ATOM 697 CB ALA A 87 -0.717 12.508 46.701 1.00 20.78 C +ATOM 698 N LEU A 88 2.488 13.436 45.762 1.00 16.34 N +ATOM 699 CA LEU A 88 3.924 13.402 45.984 1.00 15.22 C +ATOM 700 C LEU A 88 4.610 14.767 45.852 1.00 16.09 C +ATOM 701 O LEU A 88 5.828 14.903 46.053 1.00 18.41 O +ATOM 702 CB LEU A 88 4.602 12.324 45.120 1.00 13.11 C +ATOM 703 CG LEU A 88 4.211 10.908 45.558 1.00 11.85 C +ATOM 704 CD1 LEU A 88 4.876 9.933 44.594 1.00 11.97 C +ATOM 705 CD2 LEU A 88 4.594 10.573 46.980 1.00 14.12 C +ATOM 706 N LYS A 89 3.805 15.821 45.628 1.00 19.47 N +ATOM 707 CA LYS A 89 4.363 17.189 45.618 1.00 21.36 C +ATOM 708 C LYS A 89 4.674 17.561 47.054 1.00 21.75 C +ATOM 709 O LYS A 89 4.063 17.102 48.024 1.00 23.03 O +ATOM 710 CB LYS A 89 3.334 18.123 44.980 1.00 23.67 C +ATOM 711 CG LYS A 89 3.085 17.860 43.507 1.00 26.66 C +ATOM 712 CD LYS A 89 4.332 18.038 42.658 1.00 29.13 C +ATOM 713 CE LYS A 89 4.019 18.180 41.186 1.00 31.65 C +ATOM 714 NZ LYS A 89 3.571 16.910 40.556 1.00 33.11 N +ATOM 715 N GLY A 90 5.748 18.309 47.284 1.00 22.07 N +ATOM 716 CA GLY A 90 6.179 18.724 48.606 1.00 22.22 C +ATOM 717 C GLY A 90 6.943 17.676 49.395 1.00 22.04 C +ATOM 718 O GLY A 90 7.364 17.953 50.544 1.00 24.65 O +ATOM 719 OXT GLY A 90 7.236 16.581 48.868 1.00 20.54 O Added: SwiftApps/modFTdock/input/indata/1mfg-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1mfg-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1mfg-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,824 @@ +ATOM 1 N GLY A1277 22.555 0.906 38.283 1.00 27.48 N +ATOM 2 CA GLY A1277 21.337 0.415 38.914 1.00 27.43 C +ATOM 3 C GLY A1277 20.118 0.922 38.193 1.00 20.45 C +ATOM 4 O GLY A1277 20.234 1.631 37.187 1.00 30.48 O +ATOM 5 N SER A1278 18.899 0.570 38.576 1.00 24.21 N +ATOM 6 CA SER A1278 17.740 1.103 37.895 1.00 19.98 C +ATOM 7 C SER A1278 16.881 1.857 38.876 1.00 16.10 C +ATOM 8 O SER A1278 16.879 1.568 40.068 1.00 21.27 O +ATOM 9 CB ASER A1278 16.880 -0.001 37.287 0.65 23.68 C +ATOM 10 CB BSER A1278 16.856 -0.009 37.332 0.35 23.64 C +ATOM 11 OG ASER A1278 16.761 -0.973 38.299 0.65 30.25 O +ATOM 12 OG BSER A1278 17.476 -0.914 36.448 0.35 22.48 O +ATOM 13 N MET A1279 16.072 2.779 38.365 1.00 15.45 N +ATOM 14 CA MET A1279 15.146 3.546 39.174 1.00 14.66 C +ATOM 15 C MET A1279 13.804 3.667 38.444 1.00 9.98 C +ATOM 16 O MET A1279 13.804 3.924 37.245 1.00 10.33 O +ATOM 17 CB AMET A1279 15.725 4.934 39.397 0.48 19.05 C +ATOM 18 CB BMET A1279 15.639 4.940 39.552 0.52 20.28 C +ATOM 19 CG AMET A1279 14.810 5.775 40.272 0.48 25.06 C +ATOM 20 CG BMET A1279 16.246 5.868 38.540 0.52 29.80 C +ATOM 21 SD AMET A1279 15.584 7.370 40.608 0.48 34.08 S +ATOM 22 SD BMET A1279 16.844 7.460 39.179 0.52 32.99 S +ATOM 23 CE AMET A1279 17.051 6.847 41.473 0.48 68.69 C +ATOM 24 CE BMET A1279 15.574 7.809 40.386 0.52 48.00 C +ATOM 25 N GLU A1280 12.726 3.433 39.146 1.00 10.11 N +ATOM 26 CA GLU A1280 11.409 3.565 38.585 1.00 9.52 C +ATOM 27 C GLU A1280 10.863 4.928 38.953 1.00 10.00 C +ATOM 28 O GLU A1280 10.960 5.306 40.122 1.00 12.18 O +ATOM 29 CB AGLU A1280 10.644 2.432 39.275 0.64 13.66 C +ATOM 30 CB BGLU A1280 10.407 2.524 39.052 0.36 9.89 C +ATOM 31 CG AGLU A1280 9.335 2.213 38.565 0.64 10.62 C +ATOM 32 CG BGLU A1280 10.378 1.153 38.474 0.36 13.22 C +ATOM 33 CD AGLU A1280 8.545 1.095 39.192 0.64 9.00 C +ATOM 34 CD BGLU A1280 9.427 0.171 39.108 0.36 13.74 C +ATOM 35 OE1AGLU A1280 8.949 0.481 40.215 0.64 10.59 O +ATOM 36 OE1BGLU A1280 8.769 0.484 40.120 0.36 19.88 O +ATOM 37 OE2AGLU A1280 7.451 0.843 38.658 0.64 11.61 O +ATOM 38 OE2BGLU A1280 9.347 -0.971 38.599 0.36 20.92 O +ATOM 39 N ILE A1281 10.365 5.660 37.971 1.00 9.75 N +ATOM 40 CA ILE A1281 10.022 7.058 38.107 1.00 10.03 C +ATOM 41 C ILE A1281 8.676 7.349 37.484 1.00 9.85 C +ATOM 42 O ILE A1281 8.425 6.882 36.352 1.00 8.82 O +ATOM 43 CB ILE A1281 11.080 7.985 37.455 1.00 11.18 C +ATOM 44 CG1 ILE A1281 12.508 7.592 37.888 1.00 12.21 C +ATOM 45 CG2 ILE A1281 10.804 9.429 37.722 1.00 12.24 C +ATOM 46 CD1 ILE A1281 13.585 8.347 37.161 1.00 13.28 C +ATOM 47 N ARG A1282 7.859 8.131 38.156 1.00 9.55 N +ATOM 48 CA ARG A1282 6.590 8.604 37.594 1.00 9.36 C +ATOM 49 C ARG A1282 6.800 9.969 36.965 1.00 9.75 C +ATOM 50 O ARG A1282 7.343 10.862 37.634 1.00 12.00 O +ATOM 51 CB ARG A1282 5.532 8.647 38.711 1.00 10.30 C +ATOM 52 CG ARG A1282 4.087 8.929 38.281 1.00 14.74 C +ATOM 53 CD ARG A1282 3.064 9.036 39.419 1.00 16.24 C +ATOM 54 NE ARG A1282 3.024 7.828 40.288 1.00 12.92 N +ATOM 55 CZ ARG A1282 3.690 7.672 41.406 1.00 12.04 C +ATOM 56 NH1 ARG A1282 4.480 8.622 41.928 1.00 14.76 N +ATOM 57 NH2 ARG A1282 3.569 6.513 42.061 1.00 12.94 N +ATOM 58 N VAL A1283 6.371 10.104 35.742 1.00 8.96 N +ATOM 59 CA VAL A1283 6.606 11.319 34.949 1.00 10.47 C +ATOM 60 C VAL A1283 5.301 11.792 34.331 1.00 9.40 C +ATOM 61 O VAL A1283 4.676 10.994 33.631 1.00 12.59 O +ATOM 62 CB VAL A1283 7.698 11.072 33.849 1.00 12.67 C +ATOM 63 CG1 VAL A1283 8.068 12.338 33.081 1.00 13.35 C +ATOM 64 CG2 VAL A1283 8.936 10.475 34.504 1.00 13.28 C +ATOM 65 N ARG A1284 4.922 13.041 34.504 1.00 9.87 N +ATOM 66 CA ARG A1284 3.763 13.647 33.838 1.00 10.72 C +ATOM 67 C ARG A1284 4.201 14.484 32.651 1.00 9.40 C +ATOM 68 O ARG A1284 5.048 15.357 32.844 1.00 12.89 O +ATOM 69 CB ARG A1284 3.000 14.543 34.817 1.00 13.15 C +ATOM 70 CG ARG A1284 1.707 15.127 34.315 1.00 25.62 C +ATOM 71 CD ARG A1284 0.950 15.971 35.303 1.00 39.34 C +ATOM 72 NE ARG A1284 0.622 15.304 36.557 1.00 57.68 N +ATOM 73 CZ ARG A1284 0.076 15.945 37.589 1.00 56.78 C +ATOM 74 NH1 ARG A1284 -0.197 17.242 37.497 1.00 89.96 N +ATOM 75 NH2 ARG A1284 -0.219 15.324 38.732 1.00 83.24 N +ATOM 76 N VAL A1285 3.617 14.160 31.506 1.00 9.66 N +ATOM 77 CA VAL A1285 3.969 14.874 30.282 1.00 10.60 C +ATOM 78 C VAL A1285 2.692 15.412 29.684 1.00 11.05 C +ATOM 79 O VAL A1285 1.794 14.642 29.401 1.00 13.44 O +ATOM 80 CB VAL A1285 4.735 14.007 29.254 1.00 11.08 C +ATOM 81 CG1 VAL A1285 5.106 14.851 28.038 1.00 13.97 C +ATOM 82 CG2 VAL A1285 5.951 13.366 29.882 1.00 11.31 C +ATOM 83 N GLU A1286 2.668 16.756 29.491 1.00 11.69 N +ATOM 84 CA GLU A1286 1.498 17.403 28.922 1.00 14.25 C +ATOM 85 C GLU A1286 1.564 17.574 27.423 1.00 14.48 C +ATOM 86 O GLU A1286 2.331 18.372 26.923 1.00 15.20 O +ATOM 87 CB GLU A1286 1.349 18.814 29.504 1.00 20.97 C +ATOM 88 CG GLU A1286 1.675 18.949 30.973 1.00 49.35 C +ATOM 89 CD GLU A1286 0.850 20.038 31.624 1.00 65.75 C +ATOM 90 OE1 GLU A1286 0.798 21.149 31.055 1.00 94.48 O +ATOM 91 OE2 GLU A1286 0.269 19.763 32.702 1.00 86.03 O +ATOM 92 N LYS A1287 0.729 16.900 26.669 1.00 13.07 N +ATOM 93 CA LYS A1287 0.678 16.950 25.209 1.00 12.08 C +ATOM 94 C LYS A1287 0.388 18.336 24.661 1.00 14.21 C +ATOM 95 O LYS A1287 -0.435 19.060 25.176 1.00 20.00 O +ATOM 96 CB LYS A1287 -0.363 15.941 24.706 1.00 16.83 C +ATOM 97 CG LYS A1287 0.101 14.491 24.916 1.00 17.30 C +ATOM 98 CD LYS A1287 -0.841 13.467 24.268 1.00 24.61 C +ATOM 99 CE LYS A1287 -0.304 12.930 22.984 1.00 18.04 C +ATOM 100 NZ LYS A1287 -1.132 11.899 22.361 1.00 10.41 N +ATOM 101 N ASP A1288 1.141 18.740 23.626 1.00 15.11 N +ATOM 102 CA ASP A1288 0.941 20.112 23.161 1.00 20.93 C +ATOM 103 C ASP A1288 1.076 20.358 21.680 1.00 20.27 C +ATOM 104 O ASP A1288 1.643 21.386 21.244 1.00 29.05 O +ATOM 105 CB ASP A1288 1.938 21.021 23.911 1.00 31.62 C +ATOM 106 CG ASP A1288 3.346 20.824 23.387 1.00 42.72 C +ATOM 107 OD1 ASP A1288 3.579 19.702 22.876 1.00 63.12 O +ATOM 108 OD2 ASP A1288 4.164 21.776 23.492 1.00 81.84 O +ATOM 109 N PRO A1289 0.505 19.571 20.792 1.00 18.53 N +ATOM 110 CA PRO A1289 -0.316 18.399 21.028 1.00 15.09 C +ATOM 111 C PRO A1289 0.434 17.078 21.046 1.00 13.52 C +ATOM 112 O PRO A1289 -0.201 16.033 21.218 1.00 14.71 O +ATOM 113 CB PRO A1289 -1.226 18.448 19.789 1.00 20.33 C +ATOM 114 CG PRO A1289 -0.327 18.960 18.703 1.00 22.30 C +ATOM 115 CD PRO A1289 0.583 19.955 19.354 1.00 25.68 C +ATOM 116 N GLU A1290 1.741 17.085 20.884 1.00 13.98 N +ATOM 117 CA GLU A1290 2.561 15.875 20.989 1.00 12.05 C +ATOM 118 C GLU A1290 3.214 15.813 22.368 1.00 10.83 C +ATOM 119 O GLU A1290 3.237 16.789 23.146 1.00 12.33 O +ATOM 120 CB GLU A1290 3.638 15.826 19.899 1.00 16.90 C +ATOM 121 CG GLU A1290 3.015 15.767 18.492 1.00 30.56 C +ATOM 122 CD GLU A1290 3.979 15.842 17.344 1.00 49.27 C +ATOM 123 OE1 GLU A1290 5.055 16.470 17.501 1.00 70.14 O +ATOM 124 OE2 GLU A1290 3.700 15.291 16.257 1.00 85.76 O +ATOM 125 N LEU A1291 3.751 14.668 22.703 1.00 10.22 N +ATOM 126 CA LEU A1291 4.559 14.449 23.912 1.00 9.82 C +ATOM 127 C LEU A1291 5.955 15.003 23.795 1.00 9.28 C +ATOM 128 O LEU A1291 6.581 15.280 24.842 1.00 10.78 O +ATOM 129 CB LEU A1291 4.561 12.959 24.251 1.00 9.27 C +ATOM 130 CG LEU A1291 3.192 12.362 24.624 1.00 11.15 C +ATOM 131 CD1 LEU A1291 3.170 10.861 24.446 1.00 12.26 C +ATOM 132 CD2 LEU A1291 2.869 12.750 26.038 1.00 13.56 C +ATOM 133 N GLY A1292 6.494 15.127 22.606 1.00 9.66 N +ATOM 134 CA GLY A1292 7.832 15.645 22.420 1.00 9.39 C +ATOM 135 C GLY A1292 8.922 14.643 22.688 1.00 7.56 C +ATOM 136 O GLY A1292 10.047 15.031 23.090 1.00 8.70 O +ATOM 137 N PHE A1293 8.710 13.363 22.459 1.00 8.00 N +ATOM 138 CA PHE A1293 9.778 12.388 22.523 1.00 7.39 C +ATOM 139 C PHE A1293 9.487 11.315 21.497 1.00 6.77 C +ATOM 140 O PHE A1293 8.382 11.203 21.005 1.00 8.37 O +ATOM 141 CB PHE A1293 10.000 11.829 23.927 1.00 7.58 C +ATOM 142 CG PHE A1293 8.849 11.031 24.495 1.00 7.69 C +ATOM 143 CD1 PHE A1293 7.884 11.627 25.302 1.00 7.74 C +ATOM 144 CD2 PHE A1293 8.718 9.673 24.279 1.00 7.54 C +ATOM 145 CE1 PHE A1293 6.872 10.896 25.896 1.00 8.18 C +ATOM 146 CE2 PHE A1293 7.690 8.938 24.807 1.00 7.85 C +ATOM 147 CZ PHE A1293 6.761 9.542 25.618 1.00 7.85 C +ATOM 148 N SER A1294 10.524 10.521 21.182 1.00 7.33 N +ATOM 149 CA SER A1294 10.428 9.427 20.239 1.00 6.92 C +ATOM 150 C SER A1294 10.668 8.116 20.997 1.00 6.07 C +ATOM 151 O SER A1294 11.349 8.090 22.011 1.00 7.34 O +ATOM 152 CB ASER A1294 11.403 9.528 19.060 0.84 9.93 C +ATOM 153 CB BSER A1294 11.414 9.554 19.086 0.16 5.13 C +ATOM 154 OG ASER A1294 11.103 10.778 18.421 0.84 9.36 O +ATOM 155 OG BSER A1294 12.729 9.164 19.429 0.16 11.19 O +ATOM 156 N ILE A1295 10.111 7.037 20.455 1.00 7.12 N +ATOM 157 CA ILE A1295 10.249 5.710 20.998 1.00 7.05 C +ATOM 158 C ILE A1295 10.685 4.722 19.946 1.00 6.93 C +ATOM 159 O ILE A1295 10.494 4.903 18.750 1.00 8.20 O +ATOM 160 CB ILE A1295 8.942 5.217 21.653 1.00 7.13 C +ATOM 161 CG1 ILE A1295 7.762 5.092 20.690 1.00 8.63 C +ATOM 162 CG2 ILE A1295 8.597 6.066 22.859 1.00 8.94 C +ATOM 163 CD1 ILE A1295 6.586 4.308 21.217 1.00 10.21 C +ATOM 164 N SER A1296 11.212 3.592 20.434 1.00 6.94 N +ATOM 165 CA SER A1296 11.502 2.427 19.622 1.00 7.89 C +ATOM 166 C SER A1296 11.096 1.200 20.458 1.00 7.93 C +ATOM 167 O SER A1296 10.975 1.281 21.652 1.00 10.73 O +ATOM 168 CB SER A1296 12.967 2.289 19.178 1.00 13.09 C +ATOM 169 OG SER A1296 13.784 2.054 20.294 1.00 26.29 O +ATOM 170 N GLY A1297 10.956 0.080 19.790 1.00 7.29 N +ATOM 171 CA GLY A1297 10.808 -1.184 20.405 1.00 7.88 C +ATOM 172 C GLY A1297 9.472 -1.825 20.315 1.00 6.97 C +ATOM 173 O GLY A1297 8.706 -1.618 19.362 1.00 9.23 O +ATOM 174 N GLY A1298 9.113 -2.615 21.314 1.00 7.10 N +ATOM 175 CA GLY A1298 7.897 -3.346 21.356 1.00 7.79 C +ATOM 176 C GLY A1298 7.954 -4.751 20.799 1.00 8.35 C +ATOM 177 O GLY A1298 8.845 -5.077 20.007 1.00 9.37 O +ATOM 178 N VAL A1299 7.013 -5.571 21.257 1.00 8.73 N +ATOM 179 CA VAL A1299 6.865 -6.891 20.675 1.00 10.06 C +ATOM 180 C VAL A1299 6.555 -6.765 19.192 1.00 10.44 C +ATOM 181 O VAL A1299 5.710 -5.976 18.778 1.00 11.33 O +ATOM 182 CB VAL A1299 5.811 -7.720 21.402 1.00 11.21 C +ATOM 183 CG1 VAL A1299 5.545 -9.002 20.627 1.00 16.17 C +ATOM 184 CG2 VAL A1299 6.291 -8.002 22.825 1.00 13.39 C +ATOM 185 N GLY A1300 7.318 -7.530 18.360 1.00 13.03 N +ATOM 186 CA GLY A1300 7.067 -7.426 16.931 1.00 14.64 C +ATOM 187 C GLY A1300 7.858 -6.295 16.304 1.00 17.13 C +ATOM 188 O GLY A1300 7.831 -6.136 15.094 1.00 22.78 O +ATOM 189 N GLY A1301 8.518 -5.467 17.105 1.00 13.99 N +ATOM 190 CA GLY A1301 9.283 -4.316 16.698 1.00 13.85 C +ATOM 191 C GLY A1301 10.677 -4.676 16.220 1.00 12.91 C +ATOM 192 O GLY A1301 11.088 -5.823 16.135 1.00 15.82 O +ATOM 193 N ARG A1302 11.451 -3.671 15.925 1.00 12.05 N +ATOM 194 CA ARG A1302 12.807 -3.875 15.396 1.00 11.50 C +ATOM 195 C ARG A1302 13.852 -3.548 16.417 1.00 13.36 C +ATOM 196 O ARG A1302 14.987 -3.272 16.098 1.00 17.26 O +ATOM 197 CB ARG A1302 12.947 -3.042 14.108 1.00 17.25 C +ATOM 198 CG ARG A1302 12.005 -3.491 12.994 1.00 26.82 C +ATOM 199 CD ARG A1302 12.649 -4.691 12.290 1.00 37.88 C +ATOM 200 NE ARG A1302 14.070 -4.387 12.116 1.00 47.11 N +ATOM 201 CZ ARG A1302 14.476 -3.506 11.202 1.00 42.24 C +ATOM 202 NH1 ARG A1302 13.610 -2.883 10.418 1.00 59.84 N +ATOM 203 NH2 ARG A1302 15.767 -3.297 11.116 1.00 28.47 N +ATOM 204 N GLY A1303 13.486 -3.530 17.709 1.00 10.71 N +ATOM 205 CA GLY A1303 14.472 -3.337 18.749 1.00 10.41 C +ATOM 206 C GLY A1303 14.695 -1.925 19.178 1.00 8.56 C +ATOM 207 O GLY A1303 13.845 -1.036 18.987 1.00 10.02 O +ATOM 208 N ASN A1304 15.841 -1.695 19.795 1.00 8.58 N +ATOM 209 CA ASN A1304 16.181 -0.450 20.434 1.00 9.45 C +ATOM 210 C ASN A1304 17.682 -0.402 20.605 1.00 10.61 C +ATOM 211 O ASN A1304 18.377 -1.416 20.591 1.00 12.69 O +ATOM 212 CB ASN A1304 15.438 -0.317 21.793 1.00 8.91 C +ATOM 213 CG ASN A1304 16.057 -1.224 22.825 1.00 9.17 C +ATOM 214 OD1 ASN A1304 16.994 -0.837 23.501 1.00 10.82 O +ATOM 215 ND2 ASN A1304 15.535 -2.444 22.888 1.00 10.12 N +ATOM 216 N PRO A1305 18.264 0.781 20.814 1.00 12.70 N +ATOM 217 CA PRO A1305 19.743 0.853 20.977 1.00 14.11 C +ATOM 218 C PRO A1305 20.256 0.655 22.387 1.00 12.74 C +ATOM 219 O PRO A1305 21.501 0.649 22.570 1.00 15.64 O +ATOM 220 CB PRO A1305 19.994 2.269 20.470 1.00 15.18 C +ATOM 221 CG PRO A1305 18.821 3.041 20.961 1.00 14.70 C +ATOM 222 CD PRO A1305 17.647 2.086 20.807 1.00 11.97 C +ATOM 223 N PHE A1306 19.431 0.431 23.380 1.00 10.95 N +ATOM 224 CA PHE A1306 19.855 0.369 24.776 1.00 11.14 C +ATOM 225 C PHE A1306 20.037 -1.038 25.338 1.00 12.17 C +ATOM 226 O PHE A1306 21.078 -1.349 25.954 1.00 15.78 O +ATOM 227 CB PHE A1306 18.838 1.113 25.648 1.00 11.31 C +ATOM 228 CG PHE A1306 18.599 2.510 25.118 1.00 9.71 C +ATOM 229 CD1 PHE A1306 19.551 3.518 25.232 1.00 10.63 C +ATOM 230 CD2 PHE A1306 17.411 2.772 24.451 1.00 8.22 C +ATOM 231 CE1 PHE A1306 19.290 4.779 24.697 1.00 10.33 C +ATOM 232 CE2 PHE A1306 17.143 4.036 23.978 1.00 8.46 C +ATOM 233 CZ PHE A1306 18.088 5.036 24.070 1.00 9.23 C +ATOM 234 N ARG A1307 19.037 -1.886 25.156 1.00 13.20 N +ATOM 235 CA ARG A1307 18.972 -3.274 25.635 1.00 13.56 C +ATOM 236 C ARG A1307 18.507 -4.069 24.422 1.00 12.84 C +ATOM 237 O ARG A1307 17.317 -4.341 24.193 1.00 15.18 O +ATOM 238 CB ARG A1307 18.039 -3.447 26.803 1.00 16.41 C +ATOM 239 CG ARG A1307 18.423 -2.756 28.071 1.00 20.13 C +ATOM 240 CD ARG A1307 18.097 -3.237 29.449 1.00 48.00 C +ATOM 241 NE ARG A1307 18.727 -2.467 30.528 1.00 72.07 N +ATOM 242 CZ ARG A1307 20.005 -2.319 30.805 1.00 71.11 C +ATOM 243 NH1 ARG A1307 20.976 -2.886 30.103 1.00 41.17 N +ATOM 244 NH2 ARG A1307 20.415 -1.580 31.821 1.00 70.96 N +ATOM 245 N PRO A1308 19.447 -4.395 23.547 1.00 19.12 N +ATOM 246 CA PRO A1308 18.956 -4.875 22.247 1.00 20.50 C +ATOM 247 C PRO A1308 18.144 -6.156 22.238 1.00 23.77 C +ATOM 248 O PRO A1308 17.357 -6.271 21.272 1.00 21.59 O +ATOM 249 CB PRO A1308 20.246 -5.165 21.493 1.00 23.45 C +ATOM 250 CG PRO A1308 21.336 -5.190 22.504 1.00 29.70 C +ATOM 251 CD PRO A1308 20.915 -4.319 23.640 1.00 23.77 C +ATOM 252 N ASP A1309 18.367 -7.041 23.216 1.00 18.65 N +ATOM 253 CA ASP A1309 17.609 -8.302 23.241 1.00 28.97 C +ATOM 254 C ASP A1309 16.296 -8.207 24.021 1.00 27.45 C +ATOM 255 O ASP A1309 15.590 -9.190 24.268 1.00 33.73 O +ATOM 256 CB ASP A1309 18.439 -9.412 23.891 1.00 45.00 C +ATOM 257 CG ASP A1309 19.712 -9.765 23.152 1.00 58.98 C +ATOM 258 OD1 ASP A1309 19.801 -9.450 21.947 1.00 73.80 O +ATOM 259 OD2 ASP A1309 20.603 -10.362 23.804 1.00 72.75 O +ATOM 260 N ASP A1310 15.940 -7.008 24.449 1.00 21.69 N +ATOM 261 CA ASP A1310 14.714 -6.722 25.183 1.00 18.19 C +ATOM 262 C ASP A1310 13.624 -6.199 24.247 1.00 15.09 C +ATOM 263 O ASP A1310 13.889 -5.322 23.399 1.00 15.55 O +ATOM 264 CB ASP A1310 15.037 -5.724 26.286 1.00 17.91 C +ATOM 265 CG ASP A1310 14.073 -5.249 27.329 1.00 29.44 C +ATOM 266 OD1 ASP A1310 12.872 -5.115 27.049 1.00 16.52 O +ATOM 267 OD2 ASP A1310 14.487 -4.934 28.501 1.00 26.61 O +ATOM 268 N ASP A1311 12.412 -6.690 24.356 1.00 12.10 N +ATOM 269 CA ASP A1311 11.253 -6.296 23.557 1.00 10.60 C +ATOM 270 C ASP A1311 10.596 -5.013 24.034 1.00 8.99 C +ATOM 271 O ASP A1311 9.554 -4.658 23.491 1.00 9.91 O +ATOM 272 CB ASP A1311 10.223 -7.460 23.542 1.00 11.56 C +ATOM 273 CG ASP A1311 9.540 -7.790 24.823 1.00 13.49 C +ATOM 274 OD1 ASP A1311 9.547 -7.040 25.809 1.00 17.89 O +ATOM 275 OD2 ASP A1311 8.942 -8.893 24.904 1.00 20.20 O +ATOM 276 N GLY A1312 11.172 -4.331 25.006 1.00 10.41 N +ATOM 277 CA GLY A1312 10.465 -3.206 25.597 1.00 8.80 C +ATOM 278 C GLY A1312 10.410 -1.972 24.709 1.00 7.28 C +ATOM 279 O GLY A1312 10.982 -1.917 23.623 1.00 7.97 O +ATOM 280 N ILE A1313 9.642 -1.014 25.166 1.00 7.59 N +ATOM 281 CA ILE A1313 9.463 0.312 24.594 1.00 7.11 C +ATOM 282 C ILE A1313 10.413 1.273 25.271 1.00 7.28 C +ATOM 283 O ILE A1313 10.328 1.423 26.504 1.00 7.40 O +ATOM 284 CB ILE A1313 8.007 0.774 24.733 1.00 7.97 C +ATOM 285 CG1 ILE A1313 7.027 -0.106 23.960 1.00 8.61 C +ATOM 286 CG2 ILE A1313 7.848 2.232 24.347 1.00 7.71 C +ATOM 287 CD1 ILE A1313 7.156 -0.009 22.476 1.00 10.32 C +ATOM 288 N PHE A1314 11.280 1.900 24.516 1.00 6.65 N +ATOM 289 CA PHE A1314 12.299 2.795 25.025 1.00 6.94 C +ATOM 290 C PHE A1314 12.221 4.187 24.395 1.00 7.50 C +ATOM 291 O PHE A1314 12.006 4.319 23.202 1.00 7.90 O +ATOM 292 CB PHE A1314 13.716 2.234 24.731 1.00 7.61 C +ATOM 293 CG PHE A1314 13.994 0.932 25.437 1.00 7.67 C +ATOM 294 CD1 PHE A1314 13.549 -0.271 24.928 1.00 7.16 C +ATOM 295 CD2 PHE A1314 14.691 0.925 26.616 1.00 9.41 C +ATOM 296 CE1 PHE A1314 13.777 -1.468 25.563 1.00 8.29 C +ATOM 297 CE2 PHE A1314 14.936 -0.256 27.268 1.00 10.07 C +ATOM 298 CZ PHE A1314 14.466 -1.430 26.741 1.00 9.76 C +ATOM 299 N VAL A1315 12.392 5.186 25.230 1.00 7.91 N +ATOM 300 CA VAL A1315 12.584 6.549 24.760 1.00 7.86 C +ATOM 301 C VAL A1315 13.926 6.672 24.066 1.00 7.28 C +ATOM 302 O VAL A1315 14.928 6.324 24.665 1.00 8.10 O +ATOM 303 CB VAL A1315 12.507 7.518 25.931 1.00 8.46 C +ATOM 304 CG1 VAL A1315 12.722 8.959 25.489 1.00 9.09 C +ATOM 305 CG2 VAL A1315 11.156 7.447 26.659 1.00 8.83 C +ATOM 306 N THR A1316 13.912 7.166 22.820 1.00 7.71 N +ATOM 307 CA THR A1316 15.149 7.233 22.048 1.00 7.34 C +ATOM 308 C THR A1316 15.620 8.653 21.912 1.00 7.63 C +ATOM 309 O THR A1316 16.821 8.833 21.746 1.00 10.77 O +ATOM 310 CB THR A1316 14.971 6.621 20.642 1.00 9.51 C +ATOM 311 OG1 THR A1316 13.836 7.250 20.064 1.00 10.08 O +ATOM 312 CG2 THR A1316 14.787 5.129 20.740 1.00 10.89 C +ATOM 313 N ARG A1317 14.780 9.650 22.000 1.00 6.73 N +ATOM 314 CA ARG A1317 15.117 11.038 21.802 1.00 7.72 C +ATOM 315 C ARG A1317 14.090 11.908 22.499 1.00 7.48 C +ATOM 316 O ARG A1317 12.896 11.550 22.513 1.00 8.46 O +ATOM 317 CB ARG A1317 15.199 11.386 20.319 1.00 13.55 C +ATOM 318 CG ARG A1317 15.711 12.785 20.091 1.00 16.94 C +ATOM 319 CD ARG A1317 16.757 12.896 19.039 1.00 19.39 C +ATOM 320 NE ARG A1317 17.529 14.147 19.106 1.00 16.81 N +ATOM 321 CZ ARG A1317 18.766 14.270 19.510 1.00 15.87 C +ATOM 322 NH1 ARG A1317 19.535 13.279 19.939 1.00 15.23 N +ATOM 323 NH2 ARG A1317 19.278 15.510 19.476 1.00 26.52 N +ATOM 324 N VAL A1318 14.506 12.981 23.115 1.00 7.68 N +ATOM 325 CA VAL A1318 13.648 13.904 23.812 1.00 7.67 C +ATOM 326 C VAL A1318 13.883 15.278 23.216 1.00 8.83 C +ATOM 327 O VAL A1318 14.993 15.818 23.211 1.00 11.07 O +ATOM 328 CB VAL A1318 13.912 13.899 25.329 1.00 7.83 C +ATOM 329 CG1 VAL A1318 13.017 14.887 26.074 1.00 9.96 C +ATOM 330 CG2 VAL A1318 13.708 12.512 25.904 1.00 8.82 C +ATOM 331 N GLN A1319 12.843 15.922 22.722 1.00 8.55 N +ATOM 332 CA GLN A1319 12.925 17.277 22.150 1.00 10.46 C +ATOM 333 C GLN A1319 13.356 18.277 23.238 1.00 10.54 C +ATOM 334 O GLN A1319 12.669 18.318 24.258 1.00 11.72 O +ATOM 335 CB GLN A1319 11.621 17.716 21.535 1.00 13.51 C +ATOM 336 CG GLN A1319 11.077 17.008 20.334 1.00 27.76 C +ATOM 337 CD GLN A1319 9.676 17.468 19.952 1.00 39.94 C +ATOM 338 OE1 GLN A1319 9.003 18.277 20.604 1.00 36.77 O +ATOM 339 NE2 GLN A1319 9.168 16.976 18.825 1.00 52.32 N +ATOM 340 N PRO A1320 14.477 18.987 23.065 1.00 13.00 N +ATOM 341 CA PRO A1320 15.019 19.841 24.118 1.00 16.15 C +ATOM 342 C PRO A1320 14.118 20.926 24.639 1.00 19.33 C +ATOM 343 O PRO A1320 14.259 21.335 25.803 1.00 27.24 O +ATOM 344 CB PRO A1320 16.209 20.542 23.434 1.00 21.37 C +ATOM 345 CG PRO A1320 16.534 19.811 22.205 1.00 20.19 C +ATOM 346 CD PRO A1320 15.341 18.962 21.884 1.00 15.87 C +ATOM 347 N GLU A1321 13.189 21.392 23.827 1.00 23.13 N +ATOM 348 CA GLU A1321 12.279 22.404 24.413 1.00 26.68 C +ATOM 349 C GLU A1321 10.858 21.905 24.444 1.00 17.85 C +ATOM 350 O GLU A1321 9.926 22.673 24.603 1.00 27.62 O +ATOM 351 CB GLU A1321 12.418 23.714 23.630 1.00 31.15 C +ATOM 352 CG GLU A1321 13.861 24.261 23.695 1.00 43.20 C +ATOM 353 CD GLU A1321 14.351 24.176 25.139 1.00 55.90 C +ATOM 354 OE1 GLU A1321 13.509 24.614 25.967 1.00 43.97 O +ATOM 355 OE2 GLU A1321 15.483 23.744 25.410 1.00 91.32 O +ATOM 356 N GLY A1322 10.696 20.604 24.282 1.00 15.83 N +ATOM 357 CA GLY A1322 9.349 20.050 24.239 1.00 12.34 C +ATOM 358 C GLY A1322 8.831 19.674 25.610 1.00 10.51 C +ATOM 359 O GLY A1322 9.519 19.805 26.619 1.00 11.28 O +ATOM 360 N PRO A1323 7.622 19.125 25.649 1.00 10.45 N +ATOM 361 CA PRO A1323 6.976 18.846 26.945 1.00 11.55 C +ATOM 362 C PRO A1323 7.699 17.860 27.823 1.00 9.87 C +ATOM 363 O PRO A1323 7.386 17.838 29.018 1.00 10.82 O +ATOM 364 CB PRO A1323 5.607 18.315 26.502 1.00 13.10 C +ATOM 365 CG PRO A1323 5.357 18.889 25.148 1.00 13.32 C +ATOM 366 CD PRO A1323 6.710 18.896 24.513 1.00 11.35 C +ATOM 367 N ALA A1324 8.565 17.006 27.268 1.00 9.46 N +ATOM 368 CA ALA A1324 9.250 16.023 28.093 1.00 9.50 C +ATOM 369 C ALA A1324 10.639 16.469 28.488 1.00 9.86 C +ATOM 370 O ALA A1324 11.364 15.752 29.182 1.00 10.12 O +ATOM 371 CB ALA A1324 9.291 14.666 27.378 1.00 10.05 C +ATOM 372 N SER A1325 11.015 17.708 28.085 1.00 10.81 N +ATOM 373 CA SER A1325 12.396 18.100 28.416 1.00 10.42 C +ATOM 374 C SER A1325 12.574 18.250 29.937 1.00 10.90 C +ATOM 375 O SER A1325 11.659 18.656 30.681 1.00 10.10 O +ATOM 376 CB ASER A1325 12.890 19.328 27.689 0.64 13.13 C +ATOM 377 CB BSER A1325 12.670 19.397 27.671 0.36 20.01 C +ATOM 378 OG ASER A1325 11.991 20.354 27.975 0.64 10.27 O +ATOM 379 OG BSER A1325 13.579 20.328 28.205 0.36 13.17 O +ATOM 380 N LYS A1326 13.763 17.851 30.381 1.00 11.73 N +ATOM 381 CA LYS A1326 14.174 17.759 31.763 1.00 12.29 C +ATOM 382 C LYS A1326 13.443 16.649 32.500 1.00 11.34 C +ATOM 383 O LYS A1326 13.751 16.465 33.699 1.00 16.58 O +ATOM 384 CB LYS A1326 14.003 19.085 32.521 1.00 14.09 C +ATOM 385 CG LYS A1326 14.586 20.323 31.844 1.00 19.90 C +ATOM 386 CD LYS A1326 15.096 21.365 32.799 1.00 42.36 C +ATOM 387 CE LYS A1326 16.102 22.358 32.213 1.00 53.65 C +ATOM 388 NZ LYS A1326 16.624 23.260 33.259 1.00 51.19 N +ATOM 389 N LEU A1327 12.481 15.935 31.925 1.00 9.50 N +ATOM 390 CA LEU A1327 11.719 14.884 32.579 1.00 10.01 C +ATOM 391 C LEU A1327 12.058 13.493 32.094 1.00 8.66 C +ATOM 392 O LEU A1327 12.056 12.557 32.875 1.00 10.33 O +ATOM 393 CB LEU A1327 10.216 15.124 32.406 1.00 11.30 C +ATOM 394 CG LEU A1327 9.675 16.423 32.991 1.00 11.49 C +ATOM 395 CD1 LEU A1327 8.174 16.513 32.736 1.00 14.07 C +ATOM 396 CD2 LEU A1327 10.003 16.551 34.461 1.00 14.31 C +ATOM 397 N LEU A1328 12.255 13.325 30.810 1.00 8.91 N +ATOM 398 CA LEU A1328 12.631 12.053 30.202 1.00 8.46 C +ATOM 399 C LEU A1328 14.010 12.195 29.572 1.00 8.23 C +ATOM 400 O LEU A1328 14.490 13.275 29.248 1.00 10.59 O +ATOM 401 CB LEU A1328 11.633 11.599 29.159 1.00 9.15 C +ATOM 402 CG LEU A1328 10.205 11.307 29.615 1.00 8.86 C +ATOM 403 CD1 LEU A1328 9.330 10.986 28.413 1.00 10.03 C +ATOM 404 CD2 LEU A1328 10.226 10.198 30.640 1.00 10.64 C +ATOM 405 N GLN A1329 14.651 11.048 29.358 1.00 9.17 N +ATOM 406 CA GLN A1329 15.966 10.977 28.738 1.00 10.94 C +ATOM 407 C GLN A1329 16.033 9.742 27.866 1.00 8.13 C +ATOM 408 O GLN A1329 15.408 8.703 28.167 1.00 8.33 O +ATOM 409 CB GLN A1329 17.077 10.944 29.751 1.00 19.66 C +ATOM 410 CG GLN A1329 17.052 9.899 30.815 1.00 37.72 C +ATOM 411 CD GLN A1329 18.250 10.181 31.729 1.00 44.67 C +ATOM 412 OE1 GLN A1329 19.188 9.376 31.817 1.00 26.87 O +ATOM 413 NE2 GLN A1329 18.183 11.356 32.350 1.00 30.09 N +ATOM 414 N PRO A1330 16.821 9.783 26.806 1.00 7.72 N +ATOM 415 CA PRO A1330 17.070 8.564 26.033 1.00 7.97 C +ATOM 416 C PRO A1330 17.474 7.410 26.927 1.00 8.27 C +ATOM 417 O PRO A1330 18.301 7.556 27.826 1.00 12.31 O +ATOM 418 CB PRO A1330 18.236 8.980 25.127 1.00 10.14 C +ATOM 419 CG PRO A1330 18.010 10.452 24.957 1.00 12.64 C +ATOM 420 CD PRO A1330 17.539 10.963 26.292 1.00 9.20 C +ATOM 421 N GLY A1331 16.843 6.277 26.698 1.00 7.89 N +ATOM 422 CA GLY A1331 17.105 5.062 27.451 1.00 10.20 C +ATOM 423 C GLY A1331 15.972 4.713 28.399 1.00 10.49 C +ATOM 424 O GLY A1331 15.795 3.582 28.831 1.00 11.26 O +ATOM 425 N ASP A1332 15.181 5.692 28.784 1.00 9.19 N +ATOM 426 CA ASP A1332 14.087 5.435 29.676 1.00 8.56 C +ATOM 427 C ASP A1332 13.154 4.353 29.081 1.00 9.35 C +ATOM 428 O ASP A1332 12.664 4.488 27.950 1.00 11.23 O +ATOM 429 CB ASP A1332 13.240 6.699 29.943 1.00 8.37 C +ATOM 430 CG ASP A1332 13.951 7.740 30.795 1.00 8.37 C +ATOM 431 OD1 ASP A1332 14.971 7.418 31.413 1.00 8.32 O +ATOM 432 OD2 ASP A1332 13.428 8.871 30.859 1.00 9.36 O +ATOM 433 N LYS A1333 12.861 3.321 29.838 1.00 7.35 N +ATOM 434 CA LYS A1333 11.964 2.264 29.392 1.00 6.98 C +ATOM 435 C LYS A1333 10.568 2.541 29.907 1.00 7.94 C +ATOM 436 O LYS A1333 10.366 2.672 31.098 1.00 8.37 O +ATOM 437 CB LYS A1333 12.511 0.926 29.961 1.00 9.08 C +ATOM 438 CG LYS A1333 11.651 -0.253 29.437 1.00 12.19 C +ATOM 439 CD LYS A1333 12.235 -1.547 30.051 1.00 16.13 C +ATOM 440 CE LYS A1333 11.483 -2.786 29.664 1.00 22.96 C +ATOM 441 NZ LYS A1333 12.330 -3.924 30.221 1.00 31.78 N +ATOM 442 N ILE A1334 9.624 2.690 28.977 1.00 7.62 N +ATOM 443 CA ILE A1334 8.276 2.938 29.375 1.00 7.35 C +ATOM 444 C ILE A1334 7.610 1.654 29.825 1.00 7.39 C +ATOM 445 O ILE A1334 7.535 0.738 29.002 1.00 9.38 O +ATOM 446 CB ILE A1334 7.414 3.612 28.283 1.00 8.04 C +ATOM 447 CG1 ILE A1334 8.052 4.937 27.890 1.00 9.47 C +ATOM 448 CG2 ILE A1334 5.997 3.763 28.777 1.00 9.28 C +ATOM 449 CD1 ILE A1334 7.424 5.635 26.705 1.00 10.15 C +ATOM 450 N ILE A1335 7.153 1.573 31.075 1.00 7.53 N +ATOM 451 CA ILE A1335 6.500 0.328 31.526 1.00 8.57 C +ATOM 452 C ILE A1335 5.030 0.546 31.800 1.00 8.29 C +ATOM 453 O ILE A1335 4.328 -0.435 31.927 1.00 8.51 O +ATOM 454 CB ILE A1335 7.225 -0.283 32.731 1.00 9.18 C +ATOM 455 CG1 ILE A1335 7.209 0.570 34.009 1.00 9.14 C +ATOM 456 CG2 ILE A1335 8.654 -0.615 32.347 1.00 11.77 C +ATOM 457 CD1 ILE A1335 7.640 -0.119 35.292 1.00 10.78 C +ATOM 458 N GLN A1336 4.547 1.777 31.811 1.00 7.86 N +ATOM 459 CA GLN A1336 3.114 2.057 31.973 1.00 8.36 C +ATOM 460 C GLN A1336 2.823 3.469 31.483 1.00 7.68 C +ATOM 461 O GLN A1336 3.683 4.343 31.632 1.00 7.96 O +ATOM 462 CB GLN A1336 2.726 1.946 33.452 1.00 9.11 C +ATOM 463 CG GLN A1336 1.295 1.611 33.767 1.00 10.35 C +ATOM 464 CD GLN A1336 1.084 1.683 35.265 1.00 10.96 C +ATOM 465 OE1 GLN A1336 0.917 2.768 35.790 1.00 12.59 O +ATOM 466 NE2 GLN A1336 1.154 0.573 35.957 1.00 19.70 N +ATOM 467 N ALA A1337 1.630 3.653 30.939 1.00 7.02 N +ATOM 468 CA ALA A1337 1.203 4.996 30.516 1.00 7.34 C +ATOM 469 C ALA A1337 -0.280 5.121 30.792 1.00 7.33 C +ATOM 470 O ALA A1337 -1.071 4.296 30.293 1.00 7.94 O +ATOM 471 CB ALA A1337 1.515 5.239 29.048 1.00 8.61 C +ATOM 472 N ASN A1338 -0.666 6.109 31.566 1.00 8.12 N +ATOM 473 CA ASN A1338 -2.054 6.342 31.963 1.00 8.58 C +ATOM 474 C ASN A1338 -2.691 5.074 32.502 1.00 8.20 C +ATOM 475 O ASN A1338 -3.880 4.808 32.347 1.00 9.30 O +ATOM 476 CB ASN A1338 -2.875 6.961 30.832 1.00 10.16 C +ATOM 477 CG ASN A1338 -2.678 8.446 30.751 1.00 9.65 C +ATOM 478 OD1 ASN A1338 -1.926 9.048 31.511 1.00 12.06 O +ATOM 479 ND2 ASN A1338 -3.315 9.097 29.819 1.00 13.07 N +ATOM 480 N GLY A1339 -1.890 4.277 33.224 1.00 8.72 N +ATOM 481 CA GLY A1339 -2.390 3.070 33.823 1.00 9.41 C +ATOM 482 C GLY A1339 -2.439 1.839 32.953 1.00 9.24 C +ATOM 483 O GLY A1339 -2.781 0.769 33.431 1.00 10.77 O +ATOM 484 N TYR A1340 -2.055 1.989 31.689 1.00 8.33 N +ATOM 485 CA TYR A1340 -1.984 0.843 30.781 1.00 8.36 C +ATOM 486 C TYR A1340 -0.563 0.303 30.777 1.00 8.12 C +ATOM 487 O TYR A1340 0.419 1.024 30.647 1.00 9.14 O +ATOM 488 CB TYR A1340 -2.288 1.273 29.327 1.00 9.09 C +ATOM 489 CG TYR A1340 -3.763 1.622 29.237 1.00 8.42 C +ATOM 490 CD1 TYR A1340 -4.741 0.656 29.038 1.00 9.90 C +ATOM 491 CD2 TYR A1340 -4.089 2.964 29.399 1.00 11.69 C +ATOM 492 CE1 TYR A1340 -6.085 1.083 28.977 1.00 11.69 C +ATOM 493 CE2 TYR A1340 -5.374 3.341 29.349 1.00 11.69 C +ATOM 494 CZ TYR A1340 -6.388 2.441 29.137 1.00 12.02 C +ATOM 495 OH TYR A1340 -7.677 2.926 29.127 1.00 13.31 O +ATOM 496 N SER A1341 -0.418 -1.017 30.935 1.00 9.37 N +ATOM 497 CA SER A1341 0.878 -1.619 30.924 1.00 9.49 C +ATOM 498 C SER A1341 1.544 -1.577 29.569 1.00 8.90 C +ATOM 499 O SER A1341 0.920 -1.882 28.556 1.00 10.48 O +ATOM 500 CB SER A1341 0.715 -3.111 31.337 1.00 11.44 C +ATOM 501 OG SER A1341 2.009 -3.698 31.344 1.00 11.33 O +ATOM 502 N PHE A1342 2.802 -1.184 29.565 1.00 8.07 N +ATOM 503 CA PHE A1342 3.647 -1.227 28.376 1.00 8.28 C +ATOM 504 C PHE A1342 4.625 -2.374 28.460 1.00 8.98 C +ATOM 505 O PHE A1342 5.557 -2.487 27.657 1.00 9.80 O +ATOM 506 CB PHE A1342 4.375 0.112 28.129 1.00 8.78 C +ATOM 507 CG PHE A1342 3.518 1.123 27.381 1.00 7.66 C +ATOM 508 CD1 PHE A1342 2.235 1.410 27.779 1.00 9.47 C +ATOM 509 CD2 PHE A1342 4.023 1.738 26.231 1.00 8.99 C +ATOM 510 CE1 PHE A1342 1.470 2.282 27.043 1.00 10.35 C +ATOM 511 CE2 PHE A1342 3.289 2.634 25.509 1.00 10.81 C +ATOM 512 CZ PHE A1342 1.997 2.911 25.921 1.00 10.06 C +ATOM 513 N ILE A1343 4.451 -3.283 29.427 1.00 8.84 N +ATOM 514 CA ILE A1343 5.337 -4.443 29.510 1.00 9.54 C +ATOM 515 C ILE A1343 4.908 -5.508 28.475 1.00 7.87 C +ATOM 516 O ILE A1343 3.791 -5.958 28.444 1.00 9.52 O +ATOM 517 CB ILE A1343 5.373 -5.051 30.927 1.00 10.11 C +ATOM 518 CG1 ILE A1343 5.861 -4.025 31.960 1.00 12.60 C +ATOM 519 CG2 ILE A1343 6.221 -6.302 30.921 1.00 12.58 C +ATOM 520 CD1 ILE A1343 7.354 -3.694 31.826 1.00 20.74 C +ATOM 521 N ASN A1344 5.896 -5.794 27.598 1.00 8.51 N +ATOM 522 CA ASN A1344 5.676 -6.708 26.493 1.00 9.76 C +ATOM 523 C ASN A1344 4.522 -6.291 25.618 1.00 9.14 C +ATOM 524 O ASN A1344 3.861 -7.158 25.113 1.00 13.79 O +ATOM 525 CB ASN A1344 5.505 -8.152 26.992 1.00 9.95 C +ATOM 526 CG ASN A1344 6.667 -8.614 27.843 1.00 11.38 C +ATOM 527 OD1 ASN A1344 7.818 -8.358 27.487 1.00 16.84 O +ATOM 528 ND2 ASN A1344 6.377 -9.312 28.943 1.00 10.93 N +ATOM 529 N ILE A1345 4.339 -4.995 25.407 1.00 9.71 N +ATOM 530 CA ILE A1345 3.300 -4.493 24.526 1.00 9.15 C +ATOM 531 C ILE A1345 3.782 -4.608 23.083 1.00 8.83 C +ATOM 532 O ILE A1345 4.958 -4.419 22.805 1.00 9.63 O +ATOM 533 CB ILE A1345 2.998 -3.018 24.902 1.00 8.62 C +ATOM 534 CG1 ILE A1345 1.748 -2.492 24.203 1.00 10.34 C +ATOM 535 CG2 ILE A1345 4.200 -2.100 24.667 1.00 9.37 C +ATOM 536 CD1 ILE A1345 1.232 -1.209 24.842 1.00 12.76 C +ATOM 537 N GLU A1346 2.845 -4.846 22.167 1.00 9.71 N +ATOM 538 CA GLU A1346 3.144 -4.833 20.732 1.00 10.84 C +ATOM 539 C GLU A1346 3.519 -3.433 20.264 1.00 9.03 C +ATOM 540 O GLU A1346 2.938 -2.435 20.749 1.00 9.91 O +ATOM 541 CB GLU A1346 1.949 -5.353 19.950 1.00 14.25 C +ATOM 542 CG GLU A1346 2.205 -5.718 18.496 1.00 19.19 C +ATOM 543 CD GLU A1346 1.802 -4.572 17.569 1.00 19.58 C +ATOM 544 OE1 GLU A1346 0.872 -3.787 17.881 1.00 23.71 O +ATOM 545 OE2 GLU A1346 2.461 -4.438 16.509 1.00 23.39 O +ATOM 546 N HIS A1347 4.429 -3.356 19.280 1.00 10.32 N +ATOM 547 CA HIS A1347 4.916 -2.034 18.867 1.00 9.61 C +ATOM 548 C HIS A1347 3.824 -1.104 18.366 1.00 9.77 C +ATOM 549 O HIS A1347 3.812 0.079 18.769 1.00 9.65 O +ATOM 550 CB AHIS A1347 6.016 -2.214 17.831 0.69 10.53 C +ATOM 551 CB BHIS A1347 5.951 -2.206 17.735 0.31 11.20 C +ATOM 552 CG AHIS A1347 5.608 -2.847 16.536 0.69 13.44 C +ATOM 553 CG BHIS A1347 6.305 -0.949 17.003 0.31 12.01 C +ATOM 554 ND1AHIS A1347 5.419 -2.027 15.447 0.69 14.87 N +ATOM 555 ND1BHIS A1347 7.283 -0.084 17.436 0.31 15.21 N +ATOM 556 CD2AHIS A1347 5.379 -4.121 16.140 0.69 13.40 C +ATOM 557 CD2BHIS A1347 5.811 -0.373 15.872 0.31 12.04 C +ATOM 558 CE1AHIS A1347 5.074 -2.795 14.441 0.69 21.37 C +ATOM 559 CE1BHIS A1347 7.382 0.960 16.618 0.31 16.13 C +ATOM 560 NE2AHIS A1347 5.038 -4.053 14.804 0.69 18.95 N +ATOM 561 NE2BHIS A1347 6.487 0.796 15.656 0.31 17.25 N +ATOM 562 N GLY A1348 2.943 -1.594 17.461 1.00 10.99 N +ATOM 563 CA GLY A1348 1.948 -0.669 16.911 1.00 13.79 C +ATOM 564 C GLY A1348 0.968 -0.246 17.981 1.00 12.32 C +ATOM 565 O GLY A1348 0.436 0.868 18.034 1.00 12.55 O +ATOM 566 N GLN A1349 0.636 -1.149 18.894 1.00 12.10 N +ATOM 567 CA GLN A1349 -0.297 -0.814 19.965 1.00 12.11 C +ATOM 568 C GLN A1349 0.272 0.281 20.852 1.00 9.57 C +ATOM 569 O GLN A1349 -0.441 1.180 21.278 1.00 12.78 O +ATOM 570 CB AGLN A1349 -0.658 -2.043 20.791 0.53 13.64 C +ATOM 571 CB BGLN A1349 -0.594 -2.103 20.732 0.47 16.41 C +ATOM 572 CG AGLN A1349 -1.575 -2.968 19.991 0.53 17.23 C +ATOM 573 CG BGLN A1349 -1.221 -1.912 22.085 0.47 17.27 C +ATOM 574 CD AGLN A1349 -1.662 -4.335 20.643 0.53 31.68 C +ATOM 575 CD BGLN A1349 -1.627 -3.171 22.804 0.47 21.22 C +ATOM 576 OE1AGLN A1349 -1.448 -4.453 21.850 0.53 48.57 O +ATOM 577 OE1BGLN A1349 -1.642 -4.228 22.176 0.47 29.71 O +ATOM 578 NE2AGLN A1349 -1.969 -5.366 19.863 0.53 44.36 N +ATOM 579 NE2BGLN A1349 -1.970 -3.081 24.084 0.47 32.17 N +ATOM 580 N ALA A1350 1.573 0.226 21.145 1.00 9.95 N +ATOM 581 CA ALA A1350 2.216 1.221 21.973 1.00 8.78 C +ATOM 582 C ALA A1350 2.158 2.596 21.336 1.00 8.17 C +ATOM 583 O ALA A1350 1.836 3.597 22.000 1.00 8.71 O +ATOM 584 CB ALA A1350 3.677 0.853 22.245 1.00 9.21 C +ATOM 585 N VAL A1351 2.489 2.649 20.063 1.00 8.94 N +ATOM 586 CA VAL A1351 2.457 3.903 19.311 1.00 9.25 C +ATOM 587 C VAL A1351 1.051 4.460 19.297 1.00 10.14 C +ATOM 588 O VAL A1351 0.822 5.622 19.615 1.00 11.00 O +ATOM 589 CB VAL A1351 3.023 3.747 17.894 1.00 10.35 C +ATOM 590 CG1 VAL A1351 2.829 5.041 17.086 1.00 13.24 C +ATOM 591 CG2 VAL A1351 4.497 3.404 17.927 1.00 12.09 C +ATOM 592 N SER A1352 0.102 3.608 18.904 1.00 11.99 N +ATOM 593 CA SER A1352 -1.242 4.102 18.765 1.00 13.10 C +ATOM 594 C SER A1352 -1.766 4.595 20.107 1.00 14.52 C +ATOM 595 O SER A1352 -2.440 5.613 20.158 1.00 13.83 O +ATOM 596 CB SER A1352 -2.126 3.046 18.087 1.00 14.90 C +ATOM 597 OG SER A1352 -1.753 2.875 16.714 1.00 19.16 O +ATOM 598 N LEU A1353 -1.526 3.908 21.211 1.00 13.62 N +ATOM 599 CA LEU A1353 -1.944 4.314 22.561 1.00 12.85 C +ATOM 600 C LEU A1353 -1.386 5.680 22.933 1.00 9.75 C +ATOM 601 O LEU A1353 -2.137 6.581 23.351 1.00 9.94 O +ATOM 602 CB LEU A1353 -1.458 3.279 23.591 1.00 20.49 C +ATOM 603 CG LEU A1353 -2.442 2.408 24.281 1.00 25.60 C +ATOM 604 CD1 LEU A1353 -1.732 1.600 25.340 1.00 19.54 C +ATOM 605 CD2 LEU A1353 -3.594 3.216 24.897 1.00 25.70 C +ATOM 606 N LEU A1354 -0.086 5.871 22.827 1.00 8.98 N +ATOM 607 CA LEU A1354 0.532 7.149 23.151 1.00 8.57 C +ATOM 608 C LEU A1354 -0.028 8.250 22.281 1.00 9.44 C +ATOM 609 O LEU A1354 -0.251 9.339 22.791 1.00 10.45 O +ATOM 610 CB LEU A1354 2.062 7.078 23.009 1.00 8.66 C +ATOM 611 CG LEU A1354 2.758 6.202 24.064 1.00 8.69 C +ATOM 612 CD1 LEU A1354 4.213 6.091 23.707 1.00 12.84 C +ATOM 613 CD2 LEU A1354 2.616 6.791 25.443 1.00 11.55 C +ATOM 614 N LYS A1355 -0.339 7.998 21.022 1.00 8.98 N +ATOM 615 CA LYS A1355 -0.892 8.996 20.150 1.00 8.66 C +ATOM 616 C LYS A1355 -2.351 9.281 20.464 1.00 9.01 C +ATOM 617 O LYS A1355 -2.803 10.379 20.281 1.00 10.63 O +ATOM 618 CB LYS A1355 -0.749 8.584 18.681 1.00 10.01 C +ATOM 619 CG LYS A1355 0.688 8.623 18.173 1.00 11.28 C +ATOM 620 CD LYS A1355 0.793 8.435 16.707 1.00 15.19 C +ATOM 621 CE LYS A1355 2.201 8.808 16.244 1.00 19.93 C +ATOM 622 NZ LYS A1355 2.197 8.875 14.759 1.00 26.88 N +ATOM 623 N THR A1356 -3.087 8.326 21.013 1.00 9.09 N +ATOM 624 CA THR A1356 -4.509 8.454 21.272 1.00 8.93 C +ATOM 625 C THR A1356 -4.814 9.261 22.526 1.00 8.14 C +ATOM 626 O THR A1356 -5.805 9.961 22.628 1.00 8.63 O +ATOM 627 CB THR A1356 -5.152 7.066 21.290 1.00 9.86 C +ATOM 628 OG1 THR A1356 -4.940 6.416 20.012 1.00 10.88 O +ATOM 629 CG2 THR A1356 -6.669 7.135 21.501 1.00 10.07 C +ATOM 630 N PHE A1357 -3.936 9.150 23.534 1.00 8.87 N +ATOM 631 CA PHE A1357 -4.142 9.926 24.739 1.00 8.63 C +ATOM 632 C PHE A1357 -4.225 11.407 24.421 1.00 8.17 C +ATOM 633 O PHE A1357 -3.639 11.923 23.484 1.00 9.07 O +ATOM 634 CB PHE A1357 -3.000 9.697 25.719 1.00 8.80 C +ATOM 635 CG PHE A1357 -2.810 8.277 26.232 1.00 8.79 C +ATOM 636 CD1 PHE A1357 -3.874 7.497 26.577 1.00 10.34 C +ATOM 637 CD2 PHE A1357 -1.530 7.762 26.339 1.00 10.70 C +ATOM 638 CE1 PHE A1357 -3.688 6.240 27.096 1.00 12.26 C +ATOM 639 CE2 PHE A1357 -1.316 6.510 26.866 1.00 12.79 C +ATOM 640 CZ PHE A1357 -2.401 5.766 27.238 1.00 12.22 C +ATOM 641 N GLN A1358 -4.996 12.100 25.262 1.00 9.16 N +ATOM 642 CA GLN A1358 -5.138 13.550 25.166 1.00 9.29 C +ATOM 643 C GLN A1358 -4.643 14.182 26.466 1.00 11.28 C +ATOM 644 O GLN A1358 -4.677 13.569 27.514 1.00 11.92 O +ATOM 645 CB GLN A1358 -6.559 14.026 24.886 1.00 9.31 C +ATOM 646 CG GLN A1358 -6.995 13.683 23.471 1.00 10.21 C +ATOM 647 CD GLN A1358 -8.446 13.977 23.250 1.00 9.86 C +ATOM 648 OE1 GLN A1358 -9.304 13.140 23.450 1.00 11.70 O +ATOM 649 NE2 GLN A1358 -8.734 15.231 22.862 1.00 17.13 N +ATOM 650 N ASN A1359 -4.193 15.443 26.377 1.00 10.18 N +ATOM 651 CA ASN A1359 -3.785 16.239 27.526 1.00 13.62 C +ATOM 652 C ASN A1359 -2.680 15.539 28.294 1.00 14.11 C +ATOM 653 O ASN A1359 -1.578 15.247 27.833 1.00 16.17 O +ATOM 654 CB ASN A1359 -5.047 16.586 28.328 1.00 15.36 C +ATOM 655 CG ASN A1359 -6.198 17.150 27.479 1.00 18.18 C +ATOM 656 OD1 ASN A1359 -7.337 16.663 27.535 1.00 37.76 O +ATOM 657 ND2 ASN A1359 -5.847 18.127 26.668 1.00 28.87 N +ATOM 658 N THR A1360 -2.784 15.244 29.569 1.00 16.56 N +ATOM 659 CA THR A1360 -1.544 14.759 30.204 1.00 23.58 C +ATOM 660 C THR A1360 -1.478 13.253 30.163 1.00 21.24 C +ATOM 661 O THR A1360 -2.448 12.464 30.193 1.00 29.34 O +ATOM 662 CB THR A1360 -1.489 15.414 31.584 1.00 26.19 C +ATOM 663 OG1 THR A1360 -2.818 15.498 32.116 1.00 39.30 O +ATOM 664 CG2 THR A1360 -1.073 16.876 31.476 1.00 26.48 C +ATOM 665 N VAL A1361 -0.242 12.781 30.020 1.00 13.88 N +ATOM 666 CA VAL A1361 0.066 11.378 30.091 1.00 12.12 C +ATOM 667 C VAL A1361 0.960 11.165 31.312 1.00 10.80 C +ATOM 668 O VAL A1361 1.983 11.829 31.486 1.00 12.58 O +ATOM 669 CB VAL A1361 0.739 10.863 28.814 1.00 12.42 C +ATOM 670 CG1 VAL A1361 1.095 9.396 28.903 1.00 11.90 C +ATOM 671 CG2 VAL A1361 -0.187 11.106 27.635 1.00 13.49 C +ATOM 672 N GLU A1362 0.536 10.239 32.188 1.00 9.70 N +ATOM 673 CA GLU A1362 1.297 9.851 33.380 1.00 9.22 C +ATOM 674 C GLU A1362 2.048 8.571 33.046 1.00 8.22 C +ATOM 675 O GLU A1362 1.408 7.505 32.905 1.00 9.74 O +ATOM 676 CB GLU A1362 0.323 9.613 34.513 1.00 12.36 C +ATOM 677 CG GLU A1362 -0.237 10.871 35.121 1.00 26.31 C +ATOM 678 CD GLU A1362 0.767 11.691 35.913 1.00 34.24 C +ATOM 679 OE1 GLU A1362 1.842 11.190 36.300 1.00 36.80 O +ATOM 680 OE2 GLU A1362 0.422 12.857 36.123 1.00 44.58 O +ATOM 681 N LEU A1363 3.370 8.678 32.898 1.00 7.24 N +ATOM 682 CA LEU A1363 4.229 7.572 32.567 1.00 7.62 C +ATOM 683 C LEU A1363 4.882 6.986 33.819 1.00 7.28 C +ATOM 684 O LEU A1363 5.228 7.720 34.733 1.00 9.48 O +ATOM 685 CB LEU A1363 5.343 8.039 31.622 1.00 8.63 C +ATOM 686 CG LEU A1363 4.911 8.612 30.291 1.00 8.84 C +ATOM 687 CD1 LEU A1363 6.113 9.292 29.629 1.00 11.25 C +ATOM 688 CD2 LEU A1363 4.326 7.545 29.375 1.00 11.63 C +ATOM 689 N ILE A1364 5.088 5.700 33.807 1.00 7.30 N +ATOM 690 CA ILE A1364 6.063 5.043 34.698 1.00 7.09 C +ATOM 691 C ILE A1364 7.183 4.587 33.802 1.00 7.12 C +ATOM 692 O ILE A1364 6.961 3.844 32.845 1.00 7.37 O +ATOM 693 CB ILE A1364 5.495 3.888 35.518 1.00 8.35 C +ATOM 694 CG1 ILE A1364 4.241 4.257 36.328 1.00 10.62 C +ATOM 695 CG2 ILE A1364 6.582 3.329 36.427 1.00 10.27 C +ATOM 696 CD1 ILE A1364 4.481 5.356 37.349 1.00 12.40 C +ATOM 697 N ILE A1365 8.412 5.040 34.120 1.00 7.03 N +ATOM 698 CA ILE A1365 9.594 4.609 33.372 1.00 7.82 C +ATOM 699 C ILE A1365 10.561 3.910 34.309 1.00 7.66 C +ATOM 700 O ILE A1365 10.568 4.124 35.519 1.00 8.98 O +ATOM 701 CB ILE A1365 10.209 5.793 32.625 1.00 9.21 C +ATOM 702 CG1AILE A1365 10.818 6.889 33.488 0.54 10.25 C +ATOM 703 CG1BILE A1365 10.672 6.852 33.618 0.46 17.66 C +ATOM 704 CG2 ILE A1365 9.252 6.426 31.603 1.00 11.95 C +ATOM 705 CD1AILE A1365 12.273 6.672 33.784 0.54 9.79 C +ATOM 706 CD1BILE A1365 11.857 7.725 33.343 0.46 10.32 C +ATOM 707 N VAL A1366 11.439 3.130 33.733 1.00 8.09 N +ATOM 708 CA VAL A1366 12.612 2.565 34.399 1.00 8.02 C +ATOM 709 C VAL A1366 13.864 3.170 33.721 1.00 7.33 C +ATOM 710 O VAL A1366 14.039 3.056 32.528 1.00 8.55 O +ATOM 711 CB VAL A1366 12.642 1.038 34.352 1.00 9.69 C +ATOM 712 CG1 VAL A1366 13.874 0.511 35.074 1.00 15.25 C +ATOM 713 CG2 VAL A1366 11.390 0.442 34.979 1.00 18.97 C +ATOM 714 N ARG A1367 14.637 3.880 34.529 1.00 8.41 N +ATOM 715 CA ARG A1367 15.846 4.585 34.105 1.00 8.44 C +ATOM 716 C ARG A1367 17.063 3.888 34.690 1.00 8.47 C +ATOM 717 O ARG A1367 17.105 3.594 35.867 1.00 10.49 O +ATOM 718 CB ARG A1367 15.769 6.011 34.569 1.00 8.89 C +ATOM 719 CG ARG A1367 16.993 6.844 34.247 1.00 9.63 C +ATOM 720 CD ARG A1367 16.766 8.310 34.565 1.00 10.22 C +ATOM 721 NE ARG A1367 15.734 8.878 33.746 1.00 9.35 N +ATOM 722 CZ ARG A1367 15.099 10.004 34.007 1.00 10.16 C +ATOM 723 NH1 ARG A1367 15.380 10.719 35.055 1.00 11.99 N +ATOM 724 NH2 ARG A1367 14.165 10.385 33.159 1.00 12.03 N +ATOM 725 N GLU A1368 18.076 3.640 33.882 1.00 9.78 N +ATOM 726 CA GLU A1368 19.345 3.119 34.364 1.00 9.55 C +ATOM 727 C GLU A1368 20.108 4.312 34.970 1.00 13.09 C +ATOM 728 O GLU A1368 20.053 5.422 34.481 1.00 15.47 O +ATOM 729 CB GLU A1368 20.132 2.459 33.282 1.00 10.07 C +ATOM 730 CG GLU A1368 19.449 1.310 32.591 1.00 11.69 C +ATOM 731 CD GLU A1368 18.973 0.305 33.642 1.00 15.81 C +ATOM 732 OE1 GLU A1368 19.845 -0.257 34.316 1.00 19.39 O +ATOM 733 OE2 GLU A1368 17.755 0.093 33.782 1.00 20.78 O +ATOM 734 N VAL A1369 20.838 3.997 36.010 1.00 14.18 N +ATOM 735 CA VAL A1369 21.576 4.997 36.738 1.00 18.81 C +ATOM 736 C VAL A1369 23.013 4.542 36.948 1.00 15.18 C +ATOM 737 O VAL A1369 23.301 3.381 37.290 1.00 14.80 O +ATOM 738 CB VAL A1369 20.909 5.252 38.102 1.00 27.76 C +ATOM 739 CG1 VAL A1369 19.477 5.720 37.910 1.00 41.67 C +ATOM 740 CG2 VAL A1369 20.923 4.018 38.994 1.00 42.04 C +ATOM 741 N SER A1370 23.954 5.463 36.709 1.00 13.80 N +ATOM 742 CA SER A1370 25.352 5.164 36.906 1.00 11.86 C +ATOM 743 C SER A1370 25.652 4.604 38.288 1.00 12.70 C +ATOM 744 O SER A1370 25.082 5.070 39.276 1.00 13.95 O +ATOM 745 CB SER A1370 26.198 6.442 36.732 1.00 13.55 C +ATOM 746 OG SER A1370 27.585 6.157 36.750 1.00 12.87 O +ATOM 747 N SER A1371 26.619 3.701 38.335 1.00 12.72 N +ATOM 748 CA SER A1371 27.314 3.323 39.569 1.00 15.16 C +ATOM 749 C SER A1371 28.055 4.509 40.153 1.00 15.54 C +ATOM 750 O SER A1371 28.215 5.525 39.461 1.00 13.66 O +ATOM 751 CB SER A1371 28.307 2.207 39.276 1.00 16.89 C +ATOM 752 OG SER A1371 27.658 1.023 38.865 1.00 19.72 O +ATOM 753 OXT SER A1371 28.478 4.428 41.349 1.00 21.05 O +ATOM 755 N GLU B1247 17.824 -6.373 13.285 1.00 38.45 N +ATOM 756 CA GLU B1247 18.640 -5.506 14.115 1.00 30.17 C +ATOM 757 C GLU B1247 18.095 -4.072 14.116 1.00 22.43 C +ATOM 758 O GLU B1247 17.560 -3.650 13.068 1.00 18.79 O +ATOM 759 CB GLU B1247 20.079 -5.528 13.614 1.00 42.36 C +ATOM 760 CG GLU B1247 20.259 -5.166 12.145 1.00 51.47 C +ATOM 761 CD GLU B1247 21.737 -5.000 11.801 1.00 54.12 C +ATOM 762 OE1 GLU B1247 22.578 -5.028 12.723 1.00 93.99 O +ATOM 763 OE2 GLU B1247 22.055 -4.834 10.601 1.00 61.69 O +ATOM 764 N TYR B1248 18.219 -3.305 15.204 1.00 16.11 N +ATOM 765 CA TYR B1248 17.777 -1.933 15.289 1.00 11.54 C +ATOM 766 C TYR B1248 18.694 -1.035 14.473 1.00 10.38 C +ATOM 767 O TYR B1248 19.908 -1.122 14.660 1.00 12.64 O +ATOM 768 CB TYR B1248 17.813 -1.440 16.751 1.00 13.47 C +ATOM 769 CG TYR B1248 17.268 -0.024 16.868 1.00 11.81 C +ATOM 770 CD1 TYR B1248 15.948 0.254 16.567 1.00 11.90 C +ATOM 771 CD2 TYR B1248 18.106 1.025 17.286 1.00 12.85 C +ATOM 772 CE1 TYR B1248 15.442 1.550 16.688 1.00 11.97 C +ATOM 773 CE2 TYR B1248 17.618 2.317 17.394 1.00 12.65 C +ATOM 774 CZ TYR B1248 16.284 2.551 17.091 1.00 13.14 C +ATOM 775 OH TYR B1248 15.787 3.843 17.181 1.00 13.83 O +ATOM 776 N LEU B1249 18.146 -0.169 13.619 1.00 12.04 N +ATOM 777 CA LEU B1249 18.891 0.630 12.688 1.00 10.57 C +ATOM 778 C LEU B1249 18.564 2.124 12.839 1.00 9.98 C +ATOM 779 O LEU B1249 18.851 2.945 11.976 1.00 11.57 O +ATOM 780 CB LEU B1249 18.623 0.187 11.246 1.00 13.45 C +ATOM 781 CG LEU B1249 19.059 -1.226 10.857 1.00 13.33 C +ATOM 782 CD1 LEU B1249 18.686 -1.464 9.383 1.00 19.52 C +ATOM 783 CD2 LEU B1249 20.546 -1.393 11.133 1.00 15.83 C +ATOM 784 N GLY B1250 17.979 2.494 13.979 1.00 10.94 N +ATOM 785 CA GLY B1250 17.779 3.879 14.283 1.00 11.49 C +ATOM 786 C GLY B1250 16.459 4.506 13.937 1.00 11.07 C +ATOM 787 O GLY B1250 16.241 5.689 14.111 1.00 12.52 O +ATOM 788 N LEU B1251 15.511 3.712 13.427 1.00 10.21 N +ATOM 789 CA LEU B1251 14.198 4.241 13.124 1.00 9.59 C +ATOM 790 C LEU B1251 13.288 4.275 14.356 1.00 8.99 C +ATOM 791 O LEU B1251 12.772 3.241 14.793 1.00 11.11 O +ATOM 792 CB LEU B1251 13.501 3.464 11.994 1.00 10.41 C +ATOM 793 CG LEU B1251 12.203 4.143 11.529 1.00 10.50 C +ATOM 794 CD1 LEU B1251 12.478 5.427 10.790 1.00 11.81 C +ATOM 795 CD2 LEU B1251 11.402 3.220 10.631 1.00 10.72 C +ATOM 796 N ASP B1252 13.072 5.468 14.875 1.00 9.56 N +ATOM 797 CA ASP B1252 12.231 5.674 16.047 1.00 8.54 C +ATOM 798 C ASP B1252 10.977 6.389 15.563 1.00 8.25 C +ATOM 799 O ASP B1252 10.868 6.795 14.412 1.00 9.28 O +ATOM 800 CB ASP B1252 13.008 6.431 17.125 1.00 9.10 C +ATOM 801 CG ASP B1252 13.640 7.743 16.750 1.00 10.31 C +ATOM 802 OD1 ASP B1252 13.500 8.131 15.577 1.00 13.44 O +ATOM 803 OD2 ASP B1252 14.269 8.345 17.641 1.00 11.44 O +ATOM 804 N VAL B1253 10.034 6.542 16.473 1.00 8.72 N +ATOM 805 CA VAL B1253 8.726 7.073 16.200 1.00 8.67 C +ATOM 806 C VAL B1253 8.424 8.269 17.108 1.00 7.78 C +ATOM 807 O VAL B1253 8.294 8.059 18.329 1.00 8.04 O +ATOM 808 CB VAL B1253 7.596 6.030 16.380 1.00 10.25 C +ATOM 809 CG1 VAL B1253 6.223 6.657 16.088 1.00 12.03 C +ATOM 810 CG2 VAL B1253 7.850 4.825 15.485 1.00 12.54 C +ATOM 811 N PRO B1254 8.279 9.457 16.558 1.00 8.98 N +ATOM 812 CA PRO B1254 7.904 10.615 17.405 1.00 9.92 C +ATOM 813 C PRO B1254 6.462 10.541 17.853 1.00 9.63 C +ATOM 814 O PRO B1254 5.548 10.209 17.092 1.00 12.08 O +ATOM 815 CB PRO B1254 8.090 11.840 16.491 1.00 11.46 C +ATOM 816 CG PRO B1254 8.598 11.325 15.223 1.00 18.54 C +ATOM 817 CD PRO B1254 8.540 9.853 15.169 1.00 10.86 C +ATOM 818 N VAL B1255 6.244 10.824 19.133 1.00 8.98 N +ATOM 819 CA VAL B1255 4.914 10.886 19.698 1.00 9.62 C +ATOM 820 C VAL B1255 4.765 12.168 20.523 1.00 9.64 C +ATOM 821 O VAL B1255 3.629 12.416 20.987 1.00 12.35 O +ATOM 822 CB VAL B1255 4.645 9.655 20.598 1.00 10.11 C +ATOM 823 CG1 VAL B1255 4.648 8.370 19.777 1.00 12.09 C +ATOM 824 CG2 VAL B1255 5.678 9.536 21.728 1.00 10.10 C +ATOM 825 OXT VAL B1255 5.730 12.972 20.686 1.00 10.38 O Added: SwiftApps/modFTdock/input/indata/1mil-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1mil-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1mil-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,810 @@ +ATOM 1 N GLY A 1 16.788 30.028 4.003 1.00 35.98 N +ATOM 2 CA GLY A 1 18.203 29.771 4.185 1.00 41.54 C +ATOM 3 C GLY A 1 18.616 30.084 5.603 1.00 45.54 C +ATOM 4 O GLY A 1 18.767 29.168 6.408 1.00 49.89 O +ATOM 5 N SER A 2 18.769 31.377 5.904 1.00 47.50 N +ATOM 6 CA SER A 2 19.155 31.867 7.236 1.00 45.04 C +ATOM 7 C SER A 2 18.061 31.646 8.285 1.00 46.04 C +ATOM 8 O SER A 2 17.596 32.596 8.929 1.00 45.54 O +ATOM 9 CB SER A 2 19.506 33.361 7.173 1.00 48.03 C +ATOM 10 OG SER A 2 18.507 34.107 6.483 1.00 54.01 O +ATOM 11 N GLN A 3 17.678 30.386 8.474 1.00 44.00 N +ATOM 12 CA GLN A 3 16.647 30.051 9.431 1.00 39.40 C +ATOM 13 C GLN A 3 16.334 28.575 9.353 1.00 35.05 C +ATOM 14 O GLN A 3 17.210 27.765 9.049 1.00 30.41 O +ATOM 15 N LEU A 4 15.069 28.243 9.599 1.00 32.40 N +ATOM 16 CA LEU A 4 14.575 26.869 9.577 1.00 31.51 C +ATOM 17 C LEU A 4 15.179 26.035 8.451 1.00 31.26 C +ATOM 18 O LEU A 4 15.528 24.872 8.651 1.00 28.07 O +ATOM 19 CB LEU A 4 13.050 26.867 9.429 1.00 26.48 C +ATOM 20 CG LEU A 4 12.394 25.492 9.285 1.00 20.39 C +ATOM 21 CD1 LEU A 4 12.629 24.725 10.562 1.00 16.79 C +ATOM 22 CD2 LEU A 4 10.903 25.611 9.003 1.00 19.56 C +ATOM 23 N ARG A 5 15.288 26.633 7.268 1.00 25.44 N +ATOM 24 CA ARG A 5 15.826 25.947 6.106 1.00 25.93 C +ATOM 25 C ARG A 5 17.344 25.847 6.166 1.00 32.60 C +ATOM 26 O ARG A 5 18.053 26.318 5.281 1.00 44.30 O +ATOM 27 CB ARG A 5 15.373 26.652 4.830 1.00 34.40 C +ATOM 28 N GLY A 6 17.829 25.195 7.211 1.00 38.27 N +ATOM 29 CA GLY A 6 19.253 25.011 7.402 1.00 36.74 C +ATOM 30 C GLY A 6 19.417 23.891 8.409 1.00 35.81 C +ATOM 31 O GLY A 6 20.355 23.085 8.330 1.00 29.19 O +ATOM 32 N GLU A 7 18.446 23.830 9.319 1.00 30.19 N +ATOM 33 CA GLU A 7 18.369 22.852 10.401 1.00 21.09 C +ATOM 34 C GLU A 7 18.592 21.428 9.949 1.00 18.36 C +ATOM 35 O GLU A 7 17.805 20.878 9.203 1.00 19.51 O +ATOM 36 CB GLU A 7 17.011 22.953 11.054 1.00 26.36 C +ATOM 37 CG GLU A 7 16.742 24.312 11.613 1.00 22.24 C +ATOM 38 CD GLU A 7 17.617 24.572 12.772 1.00 23.58 C +ATOM 39 OE1 GLU A 7 17.812 23.623 13.566 1.00 35.24 O +ATOM 40 OE2 GLU A 7 18.112 25.709 12.895 1.00 26.09 O +ATOM 41 N PRO A 8 19.599 20.770 10.521 1.00 17.92 N +ATOM 42 CA PRO A 8 19.978 19.387 10.202 1.00 16.11 C +ATOM 43 C PRO A 8 18.845 18.387 10.113 1.00 13.01 C +ATOM 44 O PRO A 8 18.941 17.428 9.366 1.00 13.22 O +ATOM 45 CB PRO A 8 20.967 19.045 11.315 1.00 8.97 C +ATOM 46 CG PRO A 8 20.569 19.948 12.425 1.00 11.71 C +ATOM 47 CD PRO A 8 20.310 21.242 11.716 1.00 8.09 C +ATOM 48 N TRP A 9 17.806 18.599 10.919 1.00 22.81 N +ATOM 49 CA TRP A 9 16.605 17.740 10.977 1.00 22.69 C +ATOM 50 C TRP A 9 15.500 18.152 9.992 1.00 17.20 C +ATOM 51 O TRP A 9 14.484 17.468 9.874 1.00 9.29 O +ATOM 52 CB TRP A 9 16.011 17.686 12.423 1.00 16.69 C +ATOM 53 CG TRP A 9 16.031 19.009 13.183 1.00 13.37 C +ATOM 54 CD1 TRP A 9 16.942 19.390 14.125 1.00 10.54 C +ATOM 55 CD2 TRP A 9 15.161 20.145 12.988 1.00 13.37 C +ATOM 56 NE1 TRP A 9 16.711 20.688 14.512 1.00 12.91 N +ATOM 57 CE2 TRP A 9 15.624 21.176 13.838 1.00 5.70 C +ATOM 58 CE3 TRP A 9 14.048 20.396 12.170 1.00 14.96 C +ATOM 59 CZ2 TRP A 9 15.017 22.431 13.897 1.00 5.66 C +ATOM 60 CZ3 TRP A 9 13.447 21.649 12.227 1.00 8.31 C +ATOM 61 CH2 TRP A 9 13.935 22.650 13.088 1.00 8.51 C +ATOM 62 N PHE A 10 15.667 19.288 9.328 1.00 9.27 N +ATOM 63 CA PHE A 10 14.654 19.735 8.397 1.00 13.48 C +ATOM 64 C PHE A 10 15.028 19.296 6.979 1.00 14.73 C +ATOM 65 O PHE A 10 15.986 19.820 6.413 1.00 16.93 O +ATOM 66 CB PHE A 10 14.453 21.245 8.488 1.00 5.57 C +ATOM 67 CG PHE A 10 13.576 21.782 7.403 1.00 10.84 C +ATOM 68 CD1 PHE A 10 14.110 22.124 6.163 1.00 11.42 C +ATOM 69 CD2 PHE A 10 12.214 21.865 7.578 1.00 15.43 C +ATOM 70 CE1 PHE A 10 13.307 22.529 5.121 1.00 5.40 C +ATOM 71 CE2 PHE A 10 11.394 22.272 6.527 1.00 24.90 C +ATOM 72 CZ PHE A 10 11.949 22.599 5.298 1.00 11.18 C +ATOM 73 N HIS A 11 14.229 18.390 6.396 1.00 7.56 N +ATOM 74 CA HIS A 11 14.483 17.826 5.073 1.00 2.70 C +ATOM 75 C HIS A 11 13.766 18.471 3.911 1.00 14.50 C +ATOM 76 O HIS A 11 13.501 17.800 2.907 1.00 19.81 O +ATOM 77 CB HIS A 11 14.157 16.332 5.047 1.00 4.94 C +ATOM 78 CG HIS A 11 14.889 15.528 6.072 1.00 5.40 C +ATOM 79 ND1 HIS A 11 15.470 14.312 5.788 1.00 11.27 N +ATOM 80 CD2 HIS A 11 15.066 15.724 7.401 1.00 13.04 C +ATOM 81 CE1 HIS A 11 15.962 13.788 6.900 1.00 6.07 C +ATOM 82 NE2 HIS A 11 15.729 14.625 7.893 1.00 2.76 N +ATOM 83 N GLY A 12 13.463 19.760 4.001 1.00 20.25 N +ATOM 84 CA GLY A 12 12.782 20.403 2.886 1.00 26.68 C +ATOM 85 C GLY A 12 11.472 19.701 2.592 1.00 27.79 C +ATOM 86 O GLY A 12 10.891 19.097 3.490 1.00 36.83 O +ATOM 87 N LYS A 13 11.013 19.750 1.345 1.00 27.96 N +ATOM 88 CA LYS A 13 9.755 19.105 0.963 1.00 17.10 C +ATOM 89 C LYS A 13 9.846 17.570 0.888 1.00 19.63 C +ATOM 90 O LYS A 13 9.865 16.980 -0.188 1.00 19.33 O +ATOM 91 CB LYS A 13 9.273 19.675 -0.375 1.00 13.85 C +ATOM 92 CG LYS A 13 7.978 20.446 -0.284 1.00 16.26 C +ATOM 93 CD LYS A 13 7.892 21.551 -1.325 1.00 18.50 C +ATOM 94 CE LYS A 13 8.869 22.682 -1.013 1.00 23.91 C +ATOM 95 NZ LYS A 13 8.466 23.962 -1.666 1.00 38.42 N +ATOM 96 N LEU A 14 9.899 16.908 2.031 1.00 29.77 N +ATOM 97 CA LEU A 14 9.963 15.454 2.005 1.00 29.97 C +ATOM 98 C LEU A 14 8.543 14.861 1.969 1.00 29.60 C +ATOM 99 O LEU A 14 7.635 15.329 2.660 1.00 21.57 O +ATOM 100 CB LEU A 14 10.783 14.898 3.185 1.00 14.81 C +ATOM 101 CG LEU A 14 11.249 13.466 2.934 1.00 9.70 C +ATOM 102 CD1 LEU A 14 12.159 13.449 1.718 1.00 6.00 C +ATOM 103 CD2 LEU A 14 11.926 12.876 4.175 1.00 8.16 C +ATOM 104 N SER A 15 8.357 13.867 1.106 1.00 26.51 N +ATOM 105 CA SER A 15 7.079 13.197 0.944 1.00 26.23 C +ATOM 106 C SER A 15 6.703 12.437 2.220 1.00 30.84 C +ATOM 107 O SER A 15 7.586 12.023 2.979 1.00 38.27 O +ATOM 108 CB SER A 15 7.170 12.265 -0.260 1.00 17.92 C +ATOM 109 OG SER A 15 6.200 11.249 -0.219 1.00 15.41 O +ATOM 110 N ARG A 16 5.405 12.241 2.448 1.00 22.99 N +ATOM 111 CA ARG A 16 4.914 11.534 3.631 1.00 14.79 C +ATOM 112 C ARG A 16 5.443 10.108 3.854 1.00 16.47 C +ATOM 113 O ARG A 16 5.870 9.760 4.961 1.00 20.10 O +ATOM 114 CB AARG A 16 3.412 11.500 3.487 0.49 16.17 C +ATOM 115 CB BARG A 16 3.386 11.488 3.700 0.51 18.33 C +ATOM 116 CG AARG A 16 2.598 10.842 4.568 0.49 23.36 C +ATOM 117 CG BARG A 16 2.891 10.587 4.870 0.51 22.83 C +ATOM 118 CD AARG A 16 1.146 11.068 4.198 0.49 13.62 C +ATOM 119 CD BARG A 16 1.424 10.200 4.793 0.51 18.04 C +ATOM 120 NE AARG A 16 0.954 12.426 3.678 0.49 20.80 N +ATOM 121 NE BARG A 16 0.544 11.080 5.567 0.51 27.86 N +ATOM 122 CZ AARG A 16 0.782 12.728 2.388 0.49 19.75 C +ATOM 123 CZ BARG A 16 0.117 10.833 6.809 0.51 23.63 C +ATOM 124 NH1AARG A 16 0.770 11.779 1.467 0.49 10.64 N +ATOM 125 NH1BARG A 16 0.494 9.732 7.453 0.51 19.07 N +ATOM 126 NH2AARG A 16 0.665 13.990 2.011 0.49 22.52 N +ATOM 127 NH2BARG A 16 -0.740 11.667 7.389 0.51 19.03 N +ATOM 128 N ARG A 17 5.335 9.269 2.827 1.00 15.30 N +ATOM 129 CA ARG A 17 5.756 7.869 2.892 1.00 15.90 C +ATOM 130 C ARG A 17 7.259 7.702 3.051 1.00 16.59 C +ATOM 131 O ARG A 17 7.720 6.801 3.749 1.00 22.31 O +ATOM 132 CB ARG A 17 5.279 7.121 1.642 1.00 26.26 C +ATOM 133 CG ARG A 17 3.799 7.361 1.310 1.00 35.74 C +ATOM 134 CD ARG A 17 3.421 6.877 -0.093 1.00 37.88 C +ATOM 135 NE ARG A 17 3.134 5.442 -0.141 1.00 31.89 N +ATOM 136 CZ ARG A 17 2.752 4.785 -1.234 1.00 33.07 C +ATOM 137 NH1 ARG A 17 2.608 5.418 -2.394 1.00 42.00 N +ATOM 138 NH2 ARG A 17 2.489 3.491 -1.163 1.00 34.74 N +ATOM 139 N GLU A 18 8.027 8.556 2.387 1.00 16.12 N +ATOM 140 CA GLU A 18 9.480 8.502 2.484 1.00 9.56 C +ATOM 141 C GLU A 18 9.834 8.758 3.939 1.00 12.24 C +ATOM 142 O GLU A 18 10.463 7.937 4.598 1.00 14.31 O +ATOM 143 CB GLU A 18 10.098 9.575 1.602 1.00 7.11 C +ATOM 144 CG GLU A 18 9.382 9.751 0.272 1.00 20.10 C +ATOM 145 CD GLU A 18 10.220 10.444 -0.773 1.00 17.64 C +ATOM 146 OE1 GLU A 18 10.258 11.694 -0.845 1.00 12.71 O +ATOM 147 OE2 GLU A 18 10.858 9.709 -1.538 1.00 27.81 O +ATOM 148 N ALA A 19 9.362 9.886 4.452 1.00 10.73 N +ATOM 149 CA ALA A 19 9.594 10.278 5.828 1.00 12.05 C +ATOM 150 C ALA A 19 9.414 9.140 6.849 1.00 12.63 C +ATOM 151 O ALA A 19 10.090 9.111 7.885 1.00 21.12 O +ATOM 152 CB ALA A 19 8.698 11.455 6.177 1.00 11.77 C +ATOM 153 N GLU A 20 8.492 8.223 6.569 1.00 13.62 N +ATOM 154 CA GLU A 20 8.223 7.093 7.477 1.00 16.77 C +ATOM 155 C GLU A 20 9.287 6.003 7.300 1.00 17.26 C +ATOM 156 O GLU A 20 9.505 5.168 8.177 1.00 14.17 O +ATOM 157 CB GLU A 20 6.809 6.520 7.250 1.00 6.35 C +ATOM 158 CG GLU A 20 5.654 7.502 7.516 1.00 8.75 C +ATOM 159 CD GLU A 20 4.257 6.889 7.268 1.00 25.64 C +ATOM 160 OE1 GLU A 20 4.177 5.657 7.013 1.00 26.82 O +ATOM 161 OE2 GLU A 20 3.235 7.634 7.331 1.00 22.67 O +ATOM 162 N ALA A 21 9.943 6.029 6.145 1.00 25.78 N +ATOM 163 CA ALA A 21 11.011 5.097 5.812 1.00 14.90 C +ATOM 164 C ALA A 21 12.355 5.637 6.294 1.00 21.17 C +ATOM 165 O ALA A 21 13.403 5.229 5.788 1.00 30.05 O +ATOM 166 CB ALA A 21 11.058 4.903 4.335 1.00 9.12 C +ATOM 167 N LEU A 22 12.335 6.618 7.192 1.00 11.10 N +ATOM 168 CA LEU A 22 13.569 7.173 7.710 1.00 8.70 C +ATOM 169 C LEU A 22 13.585 7.054 9.229 1.00 13.53 C +ATOM 170 O LEU A 22 14.555 7.449 9.885 1.00 15.20 O +ATOM 171 CB LEU A 22 13.723 8.635 7.281 1.00 10.71 C +ATOM 172 CG LEU A 22 14.495 8.998 6.015 1.00 2.00 C +ATOM 173 CD1 LEU A 22 14.226 8.037 4.897 1.00 2.30 C +ATOM 174 CD2 LEU A 22 14.146 10.441 5.624 1.00 2.00 C +ATOM 175 N LEU A 23 12.486 6.557 9.785 1.00 7.39 N +ATOM 176 CA LEU A 23 12.361 6.369 11.229 1.00 11.53 C +ATOM 177 C LEU A 23 12.745 4.913 11.514 1.00 12.88 C +ATOM 178 O LEU A 23 12.249 4.015 10.843 1.00 9.07 O +ATOM 179 CB LEU A 23 10.907 6.628 11.692 1.00 17.47 C +ATOM 180 CG LEU A 23 10.172 7.893 11.204 1.00 20.39 C +ATOM 181 CD1 LEU A 23 8.664 7.754 11.357 1.00 18.19 C +ATOM 182 CD2 LEU A 23 10.671 9.117 11.935 1.00 24.57 C +ATOM 183 N GLN A 24 13.655 4.690 12.464 1.00 15.01 N +ATOM 184 CA GLN A 24 14.098 3.342 12.819 1.00 19.40 C +ATOM 185 C GLN A 24 13.679 2.988 14.233 1.00 20.98 C +ATOM 186 O GLN A 24 13.158 1.903 14.465 1.00 28.07 O +ATOM 187 CB GLN A 24 15.623 3.212 12.662 1.00 24.65 C +ATOM 188 CG GLN A 24 16.197 1.799 12.927 1.00 40.41 C +ATOM 189 CD GLN A 24 17.670 1.619 12.463 1.00 52.60 C +ATOM 190 OE1 GLN A 24 17.976 1.738 11.269 1.00 55.07 O +ATOM 191 NE2 GLN A 24 18.568 1.290 13.406 1.00 46.17 N +ATOM 192 N LEU A 25 13.901 3.923 15.160 1.00 26.35 N +ATOM 193 CA LEU A 25 13.576 3.771 16.589 1.00 18.55 C +ATOM 194 C LEU A 25 12.543 4.812 16.998 1.00 15.97 C +ATOM 195 O LEU A 25 12.563 5.941 16.523 1.00 10.21 O +ATOM 196 CB LEU A 25 14.802 4.038 17.481 1.00 14.42 C +ATOM 197 CG LEU A 25 16.221 3.557 17.156 1.00 15.46 C +ATOM 198 CD1 LEU A 25 17.127 4.183 18.184 1.00 7.68 C +ATOM 199 CD2 LEU A 25 16.354 2.026 17.175 1.00 5.48 C +ATOM 200 N ASN A 26 11.724 4.456 17.975 1.00 18.15 N +ATOM 201 CA ASN A 26 10.699 5.344 18.495 1.00 18.48 C +ATOM 202 C ASN A 26 11.417 6.615 18.886 1.00 8.99 C +ATOM 203 O ASN A 26 12.607 6.591 19.124 1.00 22.81 O +ATOM 204 CB ASN A 26 9.991 4.690 19.695 1.00 20.73 C +ATOM 205 CG ASN A 26 9.159 3.477 19.292 1.00 21.70 C +ATOM 206 OD1 ASN A 26 8.235 3.597 18.495 1.00 26.49 O +ATOM 207 ND2 ASN A 26 9.495 2.308 19.820 1.00 20.29 N +ATOM 208 N GLY A 27 10.715 7.735 18.871 1.00 15.08 N +ATOM 209 CA GLY A 27 11.333 9.000 19.204 1.00 8.94 C +ATOM 210 C GLY A 27 12.101 9.615 18.052 1.00 7.06 C +ATOM 211 O GLY A 27 12.714 10.663 18.213 1.00 16.02 O +ATOM 212 N ASP A 28 12.097 8.950 16.907 1.00 6.02 N +ATOM 213 CA ASP A 28 12.768 9.439 15.700 1.00 15.36 C +ATOM 214 C ASP A 28 11.931 10.545 15.052 1.00 13.65 C +ATOM 215 O ASP A 28 10.778 10.316 14.726 1.00 26.55 O +ATOM 216 CB ASP A 28 12.958 8.294 14.665 1.00 12.42 C +ATOM 217 CG ASP A 28 14.412 7.813 14.551 1.00 17.91 C +ATOM 218 OD1 ASP A 28 15.297 8.361 15.231 1.00 25.66 O +ATOM 219 OD2 ASP A 28 14.694 6.882 13.769 1.00 20.29 O +ATOM 220 N PHE A 29 12.496 11.732 14.850 1.00 17.37 N +ATOM 221 CA PHE A 29 11.749 12.811 14.199 1.00 12.37 C +ATOM 222 C PHE A 29 12.503 13.535 13.098 1.00 9.39 C +ATOM 223 O PHE A 29 13.722 13.474 13.006 1.00 2.00 O +ATOM 224 CB PHE A 29 11.227 13.833 15.203 1.00 3.32 C +ATOM 225 CG PHE A 29 12.296 14.603 15.912 1.00 7.74 C +ATOM 226 CD1 PHE A 29 12.946 14.063 17.016 1.00 9.74 C +ATOM 227 CD2 PHE A 29 12.560 15.921 15.565 1.00 11.64 C +ATOM 228 CE1 PHE A 29 13.837 14.834 17.780 1.00 2.00 C +ATOM 229 CE2 PHE A 29 13.449 16.708 16.326 1.00 15.08 C +ATOM 230 CZ PHE A 29 14.084 16.163 17.434 1.00 5.82 C +ATOM 231 N LEU A 30 11.742 14.213 12.259 1.00 9.09 N +ATOM 232 CA LEU A 30 12.280 14.964 11.148 1.00 10.22 C +ATOM 233 C LEU A 30 11.111 15.824 10.628 1.00 13.60 C +ATOM 234 O LEU A 30 9.951 15.373 10.669 1.00 20.12 O +ATOM 235 CB LEU A 30 12.798 13.999 10.086 1.00 11.06 C +ATOM 236 CG LEU A 30 11.715 13.125 9.479 1.00 7.43 C +ATOM 237 CD1 LEU A 30 11.618 13.569 8.053 1.00 9.68 C +ATOM 238 CD2 LEU A 30 12.022 11.618 9.559 1.00 11.36 C +ATOM 239 N VAL A 31 11.406 17.070 10.227 1.00 2.90 N +ATOM 240 CA VAL A 31 10.400 18.008 9.749 1.00 2.00 C +ATOM 241 C VAL A 31 10.514 18.213 8.252 1.00 5.34 C +ATOM 242 O VAL A 31 11.599 18.170 7.690 1.00 2.58 O +ATOM 243 CB VAL A 31 10.521 19.385 10.464 1.00 5.74 C +ATOM 244 CG1 VAL A 31 9.518 20.383 9.885 1.00 2.00 C +ATOM 245 CG2 VAL A 31 10.306 19.244 11.976 1.00 2.00 C +ATOM 246 N ARG A 32 9.372 18.395 7.608 1.00 9.80 N +ATOM 247 CA ARG A 32 9.297 18.610 6.164 1.00 11.62 C +ATOM 248 C ARG A 32 8.098 19.529 5.895 1.00 13.63 C +ATOM 249 O ARG A 32 7.260 19.757 6.769 1.00 20.73 O +ATOM 250 CB ARG A 32 9.150 17.268 5.426 1.00 8.08 C +ATOM 251 CG ARG A 32 8.359 16.259 6.244 1.00 20.52 C +ATOM 252 CD ARG A 32 7.422 15.366 5.446 1.00 18.41 C +ATOM 253 NE ARG A 32 6.387 14.820 6.315 1.00 19.88 N +ATOM 254 CZ ARG A 32 5.119 14.620 5.965 1.00 21.60 C +ATOM 255 NH1 ARG A 32 4.702 14.910 4.740 1.00 8.95 N +ATOM 256 NH2 ARG A 32 4.256 14.159 6.870 1.00 14.04 N +ATOM 257 N GLU A 33 8.028 20.071 4.695 1.00 13.35 N +ATOM 258 CA GLU A 33 6.967 20.977 4.333 1.00 13.83 C +ATOM 259 C GLU A 33 5.882 20.292 3.551 1.00 22.83 C +ATOM 260 O GLU A 33 6.181 19.601 2.581 1.00 21.01 O +ATOM 261 CB GLU A 33 7.553 22.095 3.494 1.00 16.38 C +ATOM 262 CG GLU A 33 6.572 22.817 2.605 1.00 21.48 C +ATOM 263 CD GLU A 33 7.061 24.185 2.221 1.00 17.02 C +ATOM 264 OE1 GLU A 33 8.291 24.343 2.039 1.00 23.96 O +ATOM 265 OE2 GLU A 33 6.220 25.106 2.121 1.00 18.74 O +ATOM 266 N SER A 34 4.635 20.561 3.952 1.00 29.02 N +ATOM 267 CA SER A 34 3.397 20.039 3.353 1.00 34.91 C +ATOM 268 C SER A 34 3.583 19.470 1.959 1.00 38.02 C +ATOM 269 O SER A 34 3.960 20.218 1.058 1.00 44.77 O +ATOM 270 CB SER A 34 2.368 21.171 3.294 1.00 37.46 C +ATOM 271 OG SER A 34 1.394 20.961 2.284 1.00 27.00 O +ATOM 272 N THR A 35 3.230 18.199 1.746 1.00 41.07 N +ATOM 273 CA THR A 35 3.424 17.592 0.422 1.00 43.28 C +ATOM 274 C THR A 35 2.251 17.358 -0.548 1.00 49.25 C +ATOM 275 O THR A 35 2.416 17.622 -1.751 1.00 52.15 O +ATOM 276 CB THR A 35 4.330 16.346 0.508 1.00 35.69 C +ATOM 277 OG1 THR A 35 5.657 16.770 0.841 1.00 33.31 O +ATOM 278 CG2 THR A 35 4.384 15.600 -0.820 1.00 31.25 C +ATOM 279 N THR A 36 1.094 16.872 -0.073 1.00 45.83 N +ATOM 280 CA THR A 36 -0.049 16.651 -0.980 1.00 40.12 C +ATOM 281 C THR A 36 -0.266 17.936 -1.824 1.00 41.58 C +ATOM 282 O THR A 36 -0.353 17.885 -3.068 1.00 32.08 O +ATOM 283 CB THR A 36 -1.331 16.101 -0.208 1.00 32.74 C +ATOM 284 OG1 THR A 36 -1.312 14.663 -0.225 1.00 30.19 O +ATOM 285 CG2 THR A 36 -2.647 16.556 -0.836 1.00 27.91 C +ATOM 286 N THR A 37 -0.237 19.087 -1.153 1.00 33.52 N +ATOM 287 CA THR A 37 -0.352 20.365 -1.835 1.00 35.46 C +ATOM 288 C THR A 37 0.131 21.494 -0.936 1.00 39.57 C +ATOM 289 O THR A 37 -0.652 22.257 -0.359 1.00 31.01 O +ATOM 290 CB THR A 37 -1.744 20.601 -2.440 1.00 43.30 C +ATOM 291 OG1 THR A 37 -2.719 19.786 -1.769 1.00 51.35 O +ATOM 292 CG2 THR A 37 -1.718 20.254 -3.944 1.00 36.61 C +ATOM 293 N PRO A 38 1.465 21.624 -0.850 1.00 47.78 N +ATOM 294 CA PRO A 38 2.327 22.548 -0.110 1.00 51.58 C +ATOM 295 C PRO A 38 1.768 23.834 0.485 1.00 53.21 C +ATOM 296 O PRO A 38 1.134 24.647 -0.200 1.00 51.46 O +ATOM 297 CB PRO A 38 3.456 22.794 -1.092 1.00 57.45 C +ATOM 298 CG PRO A 38 3.684 21.404 -1.622 1.00 55.05 C +ATOM 299 CD PRO A 38 2.270 20.889 -1.853 1.00 50.83 C +ATOM 300 N GLY A 39 2.091 24.006 1.768 1.00 55.89 N +ATOM 301 CA GLY A 39 1.685 25.156 2.557 1.00 51.12 C +ATOM 302 C GLY A 39 2.547 25.299 3.814 1.00 48.07 C +ATOM 303 O GLY A 39 3.571 26.007 3.805 1.00 39.80 O +ATOM 304 N GLN A 40 2.135 24.643 4.900 1.00 40.27 N +ATOM 305 CA GLN A 40 2.892 24.715 6.143 1.00 33.18 C +ATOM 306 C GLN A 40 3.754 23.467 6.384 1.00 31.72 C +ATOM 307 O GLN A 40 4.011 22.690 5.450 1.00 26.87 O +ATOM 308 CB GLN A 40 1.994 25.036 7.353 1.00 38.10 C +ATOM 309 CG GLN A 40 1.347 23.843 8.066 1.00 26.98 C +ATOM 310 CD GLN A 40 0.035 23.456 7.456 1.00 31.40 C +ATOM 311 OE1 GLN A 40 -0.738 24.318 7.016 1.00 38.70 O +ATOM 312 NE2 GLN A 40 -0.230 22.156 7.403 1.00 24.54 N +ATOM 313 N TYR A 41 4.132 23.242 7.641 1.00 18.98 N +ATOM 314 CA TYR A 41 5.026 22.164 7.995 1.00 13.24 C +ATOM 315 C TYR A 41 4.497 21.077 8.863 1.00 14.24 C +ATOM 316 O TYR A 41 3.651 21.306 9.713 1.00 24.13 O +ATOM 317 CB TYR A 41 6.254 22.762 8.652 1.00 15.88 C +ATOM 318 CG TYR A 41 6.815 23.875 7.837 1.00 18.57 C +ATOM 319 CD1 TYR A 41 7.033 23.711 6.468 1.00 19.90 C +ATOM 320 CD2 TYR A 41 7.127 25.089 8.418 1.00 22.33 C +ATOM 321 CE1 TYR A 41 7.553 24.728 5.698 1.00 19.17 C +ATOM 322 CE2 TYR A 41 7.655 26.127 7.656 1.00 35.07 C +ATOM 323 CZ TYR A 41 7.868 25.936 6.293 1.00 28.58 C +ATOM 324 OH TYR A 41 8.427 26.945 5.542 1.00 37.50 O +ATOM 325 N VAL A 42 5.151 19.926 8.768 1.00 14.60 N +ATOM 326 CA VAL A 42 4.749 18.752 9.503 1.00 5.68 C +ATOM 327 C VAL A 42 5.897 18.148 10.316 1.00 13.53 C +ATOM 328 O VAL A 42 7.071 18.240 9.943 1.00 16.67 O +ATOM 329 CB VAL A 42 4.198 17.713 8.508 1.00 5.48 C +ATOM 330 CG1 VAL A 42 3.738 16.459 9.227 1.00 25.93 C +ATOM 331 CG2 VAL A 42 3.046 18.312 7.704 1.00 2.00 C +ATOM 332 N LEU A 43 5.539 17.551 11.446 1.00 17.03 N +ATOM 333 CA LEU A 43 6.469 16.884 12.329 1.00 12.87 C +ATOM 334 C LEU A 43 6.124 15.401 12.170 1.00 18.10 C +ATOM 335 O LEU A 43 4.982 14.990 12.390 1.00 19.06 O +ATOM 336 CB LEU A 43 6.205 17.302 13.765 1.00 11.53 C +ATOM 337 CG LEU A 43 7.222 16.988 14.853 1.00 24.74 C +ATOM 338 CD1 LEU A 43 7.484 15.506 14.975 1.00 19.81 C +ATOM 339 CD2 LEU A 43 8.501 17.741 14.540 1.00 30.51 C +ATOM 340 N THR A 44 7.088 14.606 11.736 1.00 14.18 N +ATOM 341 CA THR A 44 6.843 13.194 11.579 1.00 6.40 C +ATOM 342 C THR A 44 7.725 12.499 12.573 1.00 2.52 C +ATOM 343 O THR A 44 8.900 12.821 12.696 1.00 14.08 O +ATOM 344 CB THR A 44 7.182 12.712 10.157 1.00 13.80 C +ATOM 345 OG1 THR A 44 6.335 13.387 9.212 1.00 15.91 O +ATOM 346 CG2 THR A 44 6.987 11.192 10.041 1.00 2.00 C +ATOM 347 N GLY A 45 7.150 11.573 13.317 1.00 6.30 N +ATOM 348 CA GLY A 45 7.933 10.845 14.288 1.00 10.13 C +ATOM 349 C GLY A 45 7.385 9.454 14.522 1.00 8.40 C +ATOM 350 O GLY A 45 6.253 9.151 14.122 1.00 2.00 O +ATOM 351 N LEU A 46 8.204 8.598 15.123 1.00 6.38 N +ATOM 352 CA LEU A 46 7.796 7.242 15.426 1.00 14.75 C +ATOM 353 C LEU A 46 7.555 7.093 16.926 1.00 15.64 C +ATOM 354 O LEU A 46 8.251 7.674 17.741 1.00 17.12 O +ATOM 355 CB LEU A 46 8.840 6.220 14.975 1.00 9.26 C +ATOM 356 CG LEU A 46 8.200 4.835 14.832 1.00 12.46 C +ATOM 357 CD1 LEU A 46 7.390 4.791 13.518 1.00 8.65 C +ATOM 358 CD2 LEU A 46 9.250 3.738 14.854 1.00 2.96 C +ATOM 359 N GLN A 47 6.504 6.367 17.269 1.00 24.74 N +ATOM 360 CA GLN A 47 6.145 6.101 18.641 1.00 23.87 C +ATOM 361 C GLN A 47 5.316 4.840 18.606 1.00 21.63 C +ATOM 362 O GLN A 47 4.294 4.796 17.927 1.00 31.78 O +ATOM 363 CB GLN A 47 5.295 7.223 19.212 1.00 28.57 C +ATOM 364 CG GLN A 47 4.846 6.934 20.637 1.00 38.79 C +ATOM 365 CD GLN A 47 6.020 6.741 21.590 1.00 44.20 C +ATOM 366 OE1 GLN A 47 6.544 5.638 21.747 1.00 39.87 O +ATOM 367 NE2 GLN A 47 6.436 7.822 22.230 1.00 53.57 N +ATOM 368 N SER A 48 5.801 3.796 19.261 1.00 9.83 N +ATOM 369 CA SER A 48 5.097 2.534 19.337 1.00 7.79 C +ATOM 370 C SER A 48 5.156 1.786 18.018 1.00 13.83 C +ATOM 371 O SER A 48 4.423 0.812 17.797 1.00 27.00 O +ATOM 372 CB SER A 48 3.651 2.785 19.771 1.00 20.12 C +ATOM 373 OG SER A 48 3.177 1.758 20.607 1.00 29.02 O +ATOM 374 N GLY A 49 6.068 2.202 17.149 1.00 21.62 N +ATOM 375 CA GLY A 49 6.208 1.528 15.865 1.00 23.03 C +ATOM 376 C GLY A 49 5.206 1.988 14.830 1.00 19.17 C +ATOM 377 O GLY A 49 4.812 1.234 13.936 1.00 17.68 O +ATOM 378 N GLN A 50 4.798 3.241 14.949 1.00 11.38 N +ATOM 379 CA GLN A 50 3.849 3.808 14.024 1.00 16.49 C +ATOM 380 C GLN A 50 3.995 5.311 14.065 1.00 13.38 C +ATOM 381 O GLN A 50 3.852 5.945 15.109 1.00 15.76 O +ATOM 382 CB GLN A 50 2.442 3.377 14.399 1.00 29.44 C +ATOM 383 CG GLN A 50 2.145 3.549 15.845 1.00 31.00 C +ATOM 384 CD GLN A 50 0.849 2.921 16.208 1.00 33.32 C +ATOM 385 OE1 GLN A 50 -0.170 3.598 16.285 1.00 40.24 O +ATOM 386 NE2 GLN A 50 0.864 1.613 16.436 1.00 33.82 N +ATOM 387 N PRO A 51 4.253 5.904 12.904 1.00 13.27 N +ATOM 388 CA PRO A 51 4.436 7.346 12.792 1.00 9.94 C +ATOM 389 C PRO A 51 3.179 8.091 13.138 1.00 6.29 C +ATOM 390 O PRO A 51 2.090 7.555 13.014 1.00 10.00 O +ATOM 391 CB PRO A 51 4.791 7.534 11.308 1.00 4.35 C +ATOM 392 CG PRO A 51 5.224 6.151 10.847 1.00 6.08 C +ATOM 393 CD PRO A 51 4.250 5.271 11.577 1.00 6.78 C +ATOM 394 N LYS A 52 3.359 9.350 13.517 1.00 9.27 N +ATOM 395 CA LYS A 52 2.294 10.290 13.862 1.00 7.46 C +ATOM 396 C LYS A 52 2.618 11.474 12.933 1.00 8.85 C +ATOM 397 O LYS A 52 3.760 11.608 12.495 1.00 12.58 O +ATOM 398 CB LYS A 52 2.458 10.720 15.322 1.00 11.24 C +ATOM 399 CG LYS A 52 2.906 9.587 16.284 1.00 23.95 C +ATOM 400 CD LYS A 52 1.805 8.548 16.555 1.00 36.60 C +ATOM 401 CE LYS A 52 2.169 7.591 17.710 1.00 44.44 C +ATOM 402 NZ LYS A 52 1.155 6.490 17.962 1.00 33.89 N +ATOM 403 N HIS A 53 1.672 12.332 12.594 1.00 4.41 N +ATOM 404 CA HIS A 53 2.055 13.414 11.696 1.00 2.00 C +ATOM 405 C HIS A 53 1.449 14.720 12.140 1.00 5.63 C +ATOM 406 O HIS A 53 0.344 15.054 11.738 1.00 14.26 O +ATOM 407 CB HIS A 53 1.673 13.096 10.231 1.00 5.58 C +ATOM 408 CG HIS A 53 2.530 12.040 9.576 1.00 12.54 C +ATOM 409 ND1 HIS A 53 3.758 12.311 9.004 1.00 15.60 N +ATOM 410 CD2 HIS A 53 2.324 10.712 9.395 1.00 12.93 C +ATOM 411 CE1 HIS A 53 4.269 11.198 8.505 1.00 6.59 C +ATOM 412 NE2 HIS A 53 3.419 10.214 8.730 1.00 14.84 N +ATOM 413 N LEU A 54 2.206 15.462 12.948 1.00 7.80 N +ATOM 414 CA LEU A 54 1.780 16.742 13.530 1.00 11.23 C +ATOM 415 C LEU A 54 1.939 17.968 12.661 1.00 9.87 C +ATOM 416 O LEU A 54 2.907 18.095 11.934 1.00 18.58 O +ATOM 417 CB LEU A 54 2.508 17.000 14.860 1.00 21.21 C +ATOM 418 CG LEU A 54 2.115 16.340 16.193 1.00 21.00 C +ATOM 419 CD1 LEU A 54 1.303 17.319 17.036 1.00 28.54 C +ATOM 420 CD2 LEU A 54 1.373 15.026 15.997 1.00 15.29 C +ATOM 421 N LEU A 55 1.007 18.902 12.785 1.00 15.38 N +ATOM 422 CA LEU A 55 1.057 20.127 12.002 1.00 18.52 C +ATOM 423 C LEU A 55 1.711 21.230 12.827 1.00 23.17 C +ATOM 424 O LEU A 55 1.680 21.181 14.057 1.00 28.16 O +ATOM 425 CB LEU A 55 -0.352 20.545 11.611 1.00 21.22 C +ATOM 426 CG LEU A 55 -0.498 20.862 10.140 1.00 16.01 C +ATOM 427 CD1 LEU A 55 -0.070 19.659 9.306 1.00 24.09 C +ATOM 428 CD2 LEU A 55 -1.927 21.218 9.879 1.00 20.42 C +ATOM 429 N LEU A 56 2.277 22.225 12.145 1.00 17.83 N +ATOM 430 CA LEU A 56 2.956 23.344 12.790 1.00 19.01 C +ATOM 431 C LEU A 56 2.509 24.672 12.137 1.00 25.50 C +ATOM 432 O LEU A 56 2.885 24.993 11.004 1.00 26.06 O +ATOM 433 CB LEU A 56 4.486 23.144 12.676 1.00 14.35 C +ATOM 434 CG LEU A 56 4.966 21.739 13.095 1.00 21.24 C +ATOM 435 CD1 LEU A 56 6.449 21.519 12.908 1.00 3.63 C +ATOM 436 CD2 LEU A 56 4.582 21.481 14.547 1.00 18.60 C +ATOM 437 N VAL A 57 1.674 25.431 12.834 1.00 35.26 N +ATOM 438 CA VAL A 57 1.177 26.702 12.292 1.00 38.04 C +ATOM 439 C VAL A 57 1.469 27.972 13.172 1.00 46.02 C +ATOM 440 O VAL A 57 1.453 27.944 14.421 1.00 26.72 O +ATOM 441 CB VAL A 57 -0.334 26.571 11.913 1.00 18.42 C +ATOM 442 CG1 VAL A 57 -0.786 27.714 11.017 1.00 16.45 C +ATOM 443 CG2 VAL A 57 -0.566 25.260 11.211 1.00 10.34 C +ATOM 444 N ASP A 58 1.828 29.060 12.491 1.00 51.76 N +ATOM 445 CA ASP A 58 2.146 30.334 13.125 1.00 52.69 C +ATOM 446 C ASP A 58 0.917 30.908 13.808 1.00 56.73 C +ATOM 447 O ASP A 58 0.028 31.447 13.161 1.00 61.48 O +ATOM 448 CB ASP A 58 2.658 31.314 12.075 1.00 44.71 C +ATOM 449 CG ASP A 58 1.598 31.682 11.059 1.00 46.85 C +ATOM 450 OD1 ASP A 58 0.668 30.876 10.837 1.00 45.66 O +ATOM 451 OD2 ASP A 58 1.669 32.795 10.502 1.00 55.46 O +ATOM 452 N PRO A 59 0.853 30.809 15.132 1.00 58.52 N +ATOM 453 CA PRO A 59 -0.296 31.334 15.867 1.00 59.45 C +ATOM 454 C PRO A 59 -0.345 32.837 15.681 1.00 64.73 C +ATOM 455 O PRO A 59 -1.417 33.430 15.575 1.00 68.34 O +ATOM 456 CB PRO A 59 0.046 30.970 17.300 1.00 67.01 C +ATOM 457 CG PRO A 59 1.539 31.068 17.312 1.00 70.41 C +ATOM 458 CD PRO A 59 1.907 30.363 16.049 1.00 62.16 C +ATOM 459 N GLU A 60 0.845 33.428 15.654 1.00 66.49 N +ATOM 460 CA GLU A 60 1.019 34.855 15.468 1.00 66.61 C +ATOM 461 C GLU A 60 2.415 34.976 14.889 1.00 66.02 C +ATOM 462 O GLU A 60 3.348 35.402 15.579 1.00 61.73 O +ATOM 463 N GLY A 61 2.566 34.494 13.654 1.00 61.38 N +ATOM 464 CA GLY A 61 3.849 34.514 12.976 1.00 55.49 C +ATOM 465 C GLY A 61 4.884 33.575 13.584 1.00 55.91 C +ATOM 466 O GLY A 61 6.034 33.571 13.135 1.00 59.17 O +ATOM 467 N VAL A 62 4.483 32.780 14.585 1.00 46.70 N +ATOM 468 CA VAL A 62 5.403 31.862 15.245 1.00 24.78 C +ATOM 469 C VAL A 62 5.262 30.442 14.755 1.00 29.69 C +ATOM 470 O VAL A 62 5.701 30.125 13.650 1.00 38.02 O +ATOM 471 N VAL A 63 4.645 29.597 15.580 1.00 23.80 N +ATOM 472 CA VAL A 63 4.373 28.184 15.294 1.00 20.44 C +ATOM 473 C VAL A 63 3.868 27.636 16.618 1.00 21.58 C +ATOM 474 O VAL A 63 4.593 27.676 17.605 1.00 24.42 O +ATOM 475 CB VAL A 63 5.622 27.441 14.862 1.00 14.98 C +ATOM 476 CG1 VAL A 63 5.567 25.997 15.346 1.00 32.52 C +ATOM 477 CG2 VAL A 63 5.713 27.449 13.358 1.00 20.72 C +ATOM 478 N ARG A 64 2.646 27.109 16.643 1.00 27.54 N +ATOM 479 CA ARG A 64 2.035 26.639 17.894 1.00 22.67 C +ATOM 480 C ARG A 64 1.690 25.160 18.078 1.00 24.82 C +ATOM 481 O ARG A 64 1.804 24.343 17.155 1.00 28.21 O +ATOM 482 CB ARG A 64 0.770 27.438 18.154 1.00 29.24 C +ATOM 483 CG ARG A 64 -0.309 27.313 17.053 1.00 23.28 C +ATOM 484 CD ARG A 64 -1.713 27.564 17.620 1.00 22.39 C +ATOM 485 NE ARG A 64 -1.636 28.357 18.846 1.00 23.47 N +ATOM 486 CZ ARG A 64 -2.245 29.519 19.052 1.00 22.35 C +ATOM 487 NH1 ARG A 64 -3.022 30.055 18.118 1.00 25.02 N +ATOM 488 NH2 ARG A 64 -2.003 30.191 20.175 1.00 32.34 N +ATOM 489 N THR A 65 1.183 24.859 19.271 1.00 19.16 N +ATOM 490 CA THR A 65 0.779 23.511 19.678 1.00 24.52 C +ATOM 491 C THR A 65 -0.601 23.510 20.345 1.00 29.02 C +ATOM 492 O THR A 65 -1.347 24.495 20.282 1.00 33.02 O +ATOM 493 CB THR A 65 1.756 22.923 20.728 1.00 29.65 C +ATOM 494 OG1 THR A 65 2.510 23.991 21.334 1.00 29.97 O +ATOM 495 CG2 THR A 65 2.661 21.813 20.115 1.00 17.48 C +ATOM 496 N LYS A 66 -0.884 22.421 21.057 1.00 33.09 N +ATOM 497 CA LYS A 66 -2.139 22.243 21.772 1.00 35.98 C +ATOM 498 C LYS A 66 -2.212 23.077 23.061 1.00 38.45 C +ATOM 499 O LYS A 66 -3.198 22.986 23.798 1.00 34.46 O +ATOM 500 CB LYS A 66 -2.310 20.760 22.117 1.00 38.31 C +ATOM 501 CG LYS A 66 -3.758 20.280 22.126 1.00 46.65 C +ATOM 502 CD LYS A 66 -3.893 18.850 22.636 1.00 49.13 C +ATOM 503 CE LYS A 66 -5.309 18.332 22.419 1.00 52.71 C +ATOM 504 NZ LYS A 66 -5.468 16.941 22.917 1.00 57.10 N +ATOM 505 N ASP A 67 -1.174 23.874 23.334 1.00 43.57 N +ATOM 506 CA ASP A 67 -1.112 24.707 24.546 1.00 42.63 C +ATOM 507 C ASP A 67 0.008 25.782 24.553 1.00 43.94 C +ATOM 508 O ASP A 67 0.223 26.452 25.589 1.00 31.79 O +ATOM 509 CB ASP A 67 -0.952 23.803 25.773 1.00 31.32 C +ATOM 510 N HIS A 68 0.653 26.013 23.400 1.00 39.72 N +ATOM 511 CA HIS A 68 1.766 26.954 23.343 1.00 29.74 C +ATOM 512 C HIS A 68 2.066 27.524 21.991 1.00 26.54 C +ATOM 513 O HIS A 68 1.930 26.840 20.985 1.00 31.11 O +ATOM 514 CB HIS A 68 3.030 26.240 23.797 1.00 36.74 C +ATOM 515 CG HIS A 68 3.791 26.977 24.843 1.00 41.12 C +ATOM 516 ND1 HIS A 68 3.758 26.619 26.173 1.00 40.48 N +ATOM 517 CD2 HIS A 68 4.596 28.064 24.760 1.00 47.50 C +ATOM 518 CE1 HIS A 68 4.512 27.454 26.866 1.00 54.06 C +ATOM 519 NE2 HIS A 68 5.032 28.340 26.033 1.00 52.32 N +ATOM 520 N ARG A 69 2.520 28.773 21.983 1.00 33.96 N +ATOM 521 CA ARG A 69 2.926 29.453 20.745 1.00 41.24 C +ATOM 522 C ARG A 69 4.408 29.863 20.820 1.00 41.46 C +ATOM 523 O ARG A 69 4.853 30.503 21.787 1.00 41.04 O +ATOM 524 CB ARG A 69 2.042 30.657 20.418 1.00 34.43 C +ATOM 525 CG ARG A 69 1.319 31.269 21.589 1.00 36.92 C +ATOM 526 CD ARG A 69 0.242 32.194 21.081 1.00 30.83 C +ATOM 527 NE ARG A 69 0.802 33.182 20.172 1.00 16.49 N +ATOM 528 CZ ARG A 69 0.071 33.932 19.366 1.00 21.66 C +ATOM 529 NH1 ARG A 69 -1.250 33.790 19.351 1.00 10.29 N +ATOM 530 NH2 ARG A 69 0.661 34.855 18.620 1.00 21.26 N +ATOM 531 N PHE A 70 5.161 29.434 19.810 1.00 36.02 N +ATOM 532 CA PHE A 70 6.599 29.663 19.704 1.00 35.81 C +ATOM 533 C PHE A 70 6.931 30.743 18.668 1.00 32.08 C +ATOM 534 O PHE A 70 6.023 31.417 18.185 1.00 29.53 O +ATOM 535 CB PHE A 70 7.282 28.308 19.390 1.00 31.17 C +ATOM 536 CG PHE A 70 6.981 27.240 20.423 1.00 19.08 C +ATOM 537 CD1 PHE A 70 7.561 27.292 21.684 1.00 16.29 C +ATOM 538 CD2 PHE A 70 6.027 26.274 20.185 1.00 15.75 C +ATOM 539 CE1 PHE A 70 7.186 26.415 22.685 1.00 8.92 C +ATOM 540 CE2 PHE A 70 5.650 25.392 21.196 1.00 16.35 C +ATOM 541 CZ PHE A 70 6.230 25.470 22.442 1.00 6.05 C +ATOM 542 N GLU A 71 8.219 30.976 18.408 1.00 25.64 N +ATOM 543 CA GLU A 71 8.624 31.971 17.417 1.00 26.75 C +ATOM 544 C GLU A 71 8.741 31.287 16.057 1.00 31.24 C +ATOM 545 O GLU A 71 8.456 31.889 15.021 1.00 29.72 O +ATOM 546 CB GLU A 71 9.976 32.585 17.760 1.00 33.80 C +ATOM 547 CG GLU A 71 10.157 33.010 19.196 1.00 39.85 C +ATOM 548 CD GLU A 71 11.483 32.535 19.762 1.00 41.30 C +ATOM 549 OE1 GLU A 71 12.152 31.704 19.105 1.00 41.20 O +ATOM 550 OE2 GLU A 71 11.846 32.958 20.879 1.00 40.85 O +ATOM 551 N SER A 72 9.204 30.036 16.069 1.00 31.00 N +ATOM 552 CA SER A 72 9.360 29.249 14.849 1.00 22.50 C +ATOM 553 C SER A 72 9.394 27.765 15.167 1.00 21.79 C +ATOM 554 O SER A 72 9.157 27.345 16.317 1.00 21.88 O +ATOM 555 CB SER A 72 10.626 29.651 14.088 1.00 28.71 C +ATOM 556 OG SER A 72 10.788 28.893 12.895 1.00 26.17 O +ATOM 557 N VAL A 73 9.640 26.979 14.122 1.00 15.97 N +ATOM 558 CA VAL A 73 9.725 25.529 14.207 1.00 14.12 C +ATOM 559 C VAL A 73 10.946 25.196 15.065 1.00 19.17 C +ATOM 560 O VAL A 73 10.905 24.303 15.921 1.00 17.24 O +ATOM 561 CB VAL A 73 9.892 24.907 12.794 1.00 6.81 C +ATOM 562 CG1 VAL A 73 10.010 23.427 12.882 1.00 2.89 C +ATOM 563 CG2 VAL A 73 8.728 25.274 11.894 1.00 2.00 C +ATOM 564 N SER A 74 12.020 25.954 14.852 1.00 21.61 N +ATOM 565 CA SER A 74 13.258 25.753 15.596 1.00 21.90 C +ATOM 566 C SER A 74 13.011 25.898 17.091 1.00 16.25 C +ATOM 567 O SER A 74 13.450 25.033 17.861 1.00 17.12 O +ATOM 568 CB SER A 74 14.349 26.714 15.107 1.00 30.59 C +ATOM 569 OG SER A 74 14.581 26.555 13.709 1.00 35.37 O +ATOM 570 N HIS A 75 12.279 26.947 17.492 1.00 5.40 N +ATOM 571 CA HIS A 75 11.952 27.157 18.902 1.00 5.28 C +ATOM 572 C HIS A 75 11.081 26.021 19.445 1.00 7.37 C +ATOM 573 O HIS A 75 11.229 25.603 20.609 1.00 15.37 O +ATOM 574 CB HIS A 75 11.233 28.490 19.123 1.00 17.40 C +ATOM 575 CG HIS A 75 10.960 28.808 20.571 1.00 32.54 C +ATOM 576 ND1 HIS A 75 11.118 27.893 21.596 1.00 33.95 N +ATOM 577 CD2 HIS A 75 10.586 29.967 21.168 1.00 35.36 C +ATOM 578 CE1 HIS A 75 10.863 28.475 22.755 1.00 36.09 C +ATOM 579 NE2 HIS A 75 10.539 29.735 22.523 1.00 36.55 N +ATOM 580 N LEU A 76 10.159 25.535 18.625 1.00 7.90 N +ATOM 581 CA LEU A 76 9.284 24.447 19.064 1.00 14.22 C +ATOM 582 C LEU A 76 10.122 23.206 19.383 1.00 21.24 C +ATOM 583 O LEU A 76 9.989 22.618 20.463 1.00 25.67 O +ATOM 584 CB LEU A 76 8.195 24.144 18.010 1.00 12.84 C +ATOM 585 CG LEU A 76 7.332 22.885 18.168 1.00 8.95 C +ATOM 586 CD1 LEU A 76 6.485 22.957 19.396 1.00 17.85 C +ATOM 587 CD2 LEU A 76 6.450 22.726 16.989 1.00 20.61 C +ATOM 588 N ILE A 77 11.025 22.843 18.475 1.00 27.84 N +ATOM 589 CA ILE A 77 11.868 21.672 18.678 1.00 18.78 C +ATOM 590 C ILE A 77 12.661 21.677 19.992 1.00 21.88 C +ATOM 591 O ILE A 77 12.564 20.717 20.749 1.00 32.84 O +ATOM 592 CB ILE A 77 12.832 21.438 17.507 1.00 9.96 C +ATOM 593 CG1 ILE A 77 12.056 21.278 16.199 1.00 6.41 C +ATOM 594 CG2 ILE A 77 13.619 20.163 17.753 1.00 11.74 C +ATOM 595 CD1 ILE A 77 11.518 19.869 15.984 1.00 3.26 C +ATOM 596 N SER A 78 13.415 22.738 20.293 1.00 20.65 N +ATOM 597 CA SER A 78 14.207 22.747 21.534 1.00 17.39 C +ATOM 598 C SER A 78 13.360 22.716 22.802 1.00 20.28 C +ATOM 599 O SER A 78 13.701 22.019 23.746 1.00 17.12 O +ATOM 600 CB SER A 78 15.191 23.921 21.578 1.00 20.39 C +ATOM 601 OG SER A 78 14.533 25.176 21.586 1.00 23.99 O +ATOM 602 N TYR A 79 12.229 23.415 22.813 1.00 16.00 N +ATOM 603 CA TYR A 79 11.380 23.407 23.996 1.00 11.84 C +ATOM 604 C TYR A 79 11.051 21.980 24.403 1.00 14.27 C +ATOM 605 O TYR A 79 11.187 21.611 25.568 1.00 9.48 O +ATOM 606 CB TYR A 79 10.087 24.162 23.731 1.00 9.42 C +ATOM 607 CG TYR A 79 9.145 24.246 24.918 1.00 7.52 C +ATOM 608 CD1 TYR A 79 8.250 23.218 25.206 1.00 8.48 C +ATOM 609 CD2 TYR A 79 9.074 25.405 25.693 1.00 9.66 C +ATOM 610 CE1 TYR A 79 7.295 23.341 26.232 1.00 2.00 C +ATOM 611 CE2 TYR A 79 8.134 25.543 26.702 1.00 9.23 C +ATOM 612 CZ TYR A 79 7.241 24.507 26.971 1.00 12.67 C +ATOM 613 OH TYR A 79 6.291 24.663 27.980 1.00 19.25 O +ATOM 614 N HIS A 80 10.648 21.170 23.430 1.00 17.51 N +ATOM 615 CA HIS A 80 10.272 19.785 23.701 1.00 21.74 C +ATOM 616 C HIS A 80 11.472 18.875 23.817 1.00 24.61 C +ATOM 617 O HIS A 80 11.599 18.104 24.767 1.00 27.26 O +ATOM 618 CB HIS A 80 9.321 19.262 22.619 1.00 23.32 C +ATOM 619 CG HIS A 80 7.952 19.861 22.687 1.00 14.75 C +ATOM 620 ND1 HIS A 80 7.599 20.989 21.981 1.00 14.76 N +ATOM 621 CD2 HIS A 80 6.872 19.532 23.429 1.00 18.76 C +ATOM 622 CE1 HIS A 80 6.364 21.336 22.293 1.00 14.99 C +ATOM 623 NE2 HIS A 80 5.901 20.468 23.170 1.00 16.83 N +ATOM 624 N MET A 81 12.360 18.975 22.843 1.00 25.79 N +ATOM 625 CA MET A 81 13.553 18.159 22.826 1.00 20.81 C +ATOM 626 C MET A 81 14.424 18.382 24.045 1.00 17.08 C +ATOM 627 O MET A 81 14.476 17.536 24.925 1.00 18.67 O +ATOM 628 CB MET A 81 14.340 18.428 21.556 1.00 17.33 C +ATOM 629 CG MET A 81 15.699 17.798 21.541 1.00 21.51 C +ATOM 630 SD MET A 81 16.233 17.361 19.879 1.00 26.56 S +ATOM 631 CE MET A 81 16.967 15.715 20.320 1.00 19.82 C +ATOM 632 N ASP A 82 15.044 19.553 24.131 1.00 22.85 N +ATOM 633 CA ASP A 82 15.953 19.867 25.233 1.00 16.61 C +ATOM 634 C ASP A 82 15.299 19.580 26.540 1.00 14.80 C +ATOM 635 O ASP A 82 15.790 18.765 27.324 1.00 24.44 O +ATOM 636 CB ASP A 82 16.382 21.349 25.248 1.00 19.35 C +ATOM 637 CG ASP A 82 17.082 21.805 23.962 1.00 20.28 C +ATOM 638 OD1 ASP A 82 17.171 21.029 22.982 1.00 22.79 O +ATOM 639 OD2 ASP A 82 17.522 22.977 23.939 1.00 23.31 O +ATOM 640 N ASN A 83 14.160 20.227 26.742 1.00 15.34 N +ATOM 641 CA ASN A 83 13.412 20.111 27.979 1.00 12.16 C +ATOM 642 C ASN A 83 12.827 18.767 28.240 1.00 10.37 C +ATOM 643 O ASN A 83 12.496 18.473 29.385 1.00 23.52 O +ATOM 644 CB ASN A 83 12.304 21.127 28.022 1.00 13.40 C +ATOM 645 CG ASN A 83 12.807 22.494 28.162 1.00 3.96 C +ATOM 646 OD1 ASN A 83 13.173 22.909 29.246 1.00 18.88 O +ATOM 647 ND2 ASN A 83 12.848 23.221 27.068 1.00 14.98 N +ATOM 648 N HIS A 84 12.615 18.002 27.174 1.00 12.89 N +ATOM 649 CA HIS A 84 12.068 16.630 27.230 1.00 23.10 C +ATOM 650 C HIS A 84 10.576 16.442 27.544 1.00 16.56 C +ATOM 651 O HIS A 84 10.215 15.455 28.187 1.00 10.16 O +ATOM 652 CB HIS A 84 12.891 15.728 28.170 1.00 30.07 C +ATOM 653 CG HIS A 84 14.335 15.599 27.788 1.00 43.83 C +ATOM 654 ND1 HIS A 84 15.326 16.384 28.341 1.00 47.85 N +ATOM 655 CD2 HIS A 84 14.955 14.775 26.913 1.00 43.49 C +ATOM 656 CE1 HIS A 84 16.493 16.048 27.825 1.00 42.61 C +ATOM 657 NE2 HIS A 84 16.295 15.074 26.954 1.00 53.99 N +ATOM 658 N LEU A 85 9.726 17.372 27.098 1.00 13.59 N +ATOM 659 CA LEU A 85 8.275 17.285 27.302 1.00 4.42 C +ATOM 660 C LEU A 85 7.700 16.716 26.015 1.00 10.07 C +ATOM 661 O LEU A 85 7.929 17.270 24.941 1.00 10.79 O +ATOM 662 CB LEU A 85 7.685 18.660 27.501 1.00 2.00 C +ATOM 663 CG LEU A 85 8.285 19.442 28.650 1.00 11.85 C +ATOM 664 CD1 LEU A 85 8.041 20.945 28.446 1.00 10.31 C +ATOM 665 CD2 LEU A 85 7.695 18.934 29.935 1.00 2.17 C +ATOM 666 N PRO A 86 6.906 15.638 26.107 1.00 12.40 N +ATOM 667 CA PRO A 86 6.307 15.015 24.925 1.00 12.51 C +ATOM 668 C PRO A 86 5.185 15.848 24.371 1.00 11.97 C +ATOM 669 O PRO A 86 4.370 16.356 25.120 1.00 27.17 O +ATOM 670 CB PRO A 86 5.747 13.714 25.483 1.00 20.45 C +ATOM 671 CG PRO A 86 5.287 14.099 26.838 1.00 17.87 C +ATOM 672 CD PRO A 86 6.430 14.983 27.343 1.00 19.21 C +ATOM 673 N ILE A 87 5.150 16.034 23.062 1.00 24.33 N +ATOM 674 CA ILE A 87 4.056 16.784 22.455 1.00 19.56 C +ATOM 675 C ILE A 87 2.852 15.843 22.635 1.00 22.37 C +ATOM 676 O ILE A 87 2.916 14.656 22.289 1.00 17.25 O +ATOM 677 CB ILE A 87 4.308 17.031 20.931 1.00 19.63 C +ATOM 678 CG1 ILE A 87 5.615 17.805 20.738 1.00 10.66 C +ATOM 679 CG2 ILE A 87 3.124 17.798 20.268 1.00 14.05 C +ATOM 680 CD1 ILE A 87 5.971 18.000 19.299 1.00 2.00 C +ATOM 681 N ILE A 88 1.831 16.318 23.333 1.00 20.42 N +ATOM 682 CA ILE A 88 0.637 15.517 23.501 1.00 24.10 C +ATOM 683 C ILE A 88 -0.474 16.114 22.636 1.00 29.28 C +ATOM 684 O ILE A 88 -0.732 17.314 22.691 1.00 27.55 O +ATOM 685 CB ILE A 88 0.223 15.415 24.973 1.00 26.53 C +ATOM 686 CG1 ILE A 88 1.310 14.656 25.742 1.00 20.80 C +ATOM 687 CG2 ILE A 88 -1.093 14.668 25.095 1.00 13.76 C +ATOM 688 CD1 ILE A 88 1.428 15.072 27.178 1.00 30.87 C +ATOM 689 N SER A 89 -1.010 15.292 21.737 1.00 35.21 N +ATOM 690 CA SER A 89 -2.095 15.680 20.848 1.00 37.46 C +ATOM 691 C SER A 89 -3.113 14.538 20.808 1.00 41.20 C +ATOM 692 O SER A 89 -2.771 13.416 20.417 1.00 40.80 O +ATOM 693 CB SER A 89 -1.572 15.983 19.439 1.00 39.97 C +ATOM 694 OG SER A 89 -1.321 17.375 19.247 1.00 31.74 O +ATOM 695 N ALA A 90 -4.336 14.828 21.267 1.00 39.37 N +ATOM 696 CA ALA A 90 -5.455 13.872 21.311 1.00 36.84 C +ATOM 697 C ALA A 90 -5.249 12.619 22.212 1.00 38.67 C +ATOM 698 O ALA A 90 -5.721 11.505 21.893 1.00 35.41 O +ATOM 699 CB ALA A 90 -5.861 13.470 19.888 1.00 22.35 C +ATOM 700 N GLY A 91 -4.580 12.818 23.351 1.00 28.62 N +ATOM 701 CA GLY A 91 -4.322 11.728 24.280 1.00 24.18 C +ATOM 702 C GLY A 91 -3.079 10.947 23.901 1.00 29.28 C +ATOM 703 O GLY A 91 -2.591 10.115 24.670 1.00 25.85 O +ATOM 704 N SER A 92 -2.622 11.173 22.672 1.00 30.95 N +ATOM 705 CA SER A 92 -1.432 10.543 22.122 1.00 33.06 C +ATOM 706 C SER A 92 -0.291 11.522 22.380 1.00 29.49 C +ATOM 707 O SER A 92 -0.507 12.731 22.395 1.00 31.48 O +ATOM 708 CB SER A 92 -1.607 10.319 20.607 1.00 36.30 C +ATOM 709 OG SER A 92 -0.569 9.510 20.059 1.00 30.43 O +ATOM 710 N GLU A 93 0.915 11.003 22.581 1.00 32.44 N +ATOM 711 CA GLU A 93 2.083 11.841 22.848 1.00 34.40 C +ATOM 712 C GLU A 93 3.304 11.373 22.064 1.00 31.20 C +ATOM 713 O GLU A 93 3.623 10.178 22.031 1.00 21.72 O +ATOM 714 CB GLU A 93 2.390 11.875 24.343 1.00 34.49 C +ATOM 715 CG GLU A 93 2.198 10.540 25.042 1.00 43.28 C +ATOM 716 CD GLU A 93 3.454 10.056 25.716 1.00 48.10 C +ATOM 717 OE1 GLU A 93 3.757 10.532 26.841 1.00 39.97 O +ATOM 718 OE2 GLU A 93 4.135 9.194 25.111 1.00 55.39 O +ATOM 719 N LEU A 94 3.972 12.326 21.425 1.00 22.99 N +ATOM 720 CA LEU A 94 5.137 12.036 20.624 1.00 19.75 C +ATOM 721 C LEU A 94 6.392 12.687 21.190 1.00 18.69 C +ATOM 722 O LEU A 94 6.525 13.912 21.237 1.00 13.70 O +ATOM 723 CB LEU A 94 4.848 12.408 19.163 1.00 16.09 C +ATOM 724 CG LEU A 94 5.786 13.034 18.127 1.00 14.41 C +ATOM 725 CD1 LEU A 94 7.040 12.233 17.988 1.00 29.32 C +ATOM 726 CD2 LEU A 94 5.083 13.076 16.788 1.00 8.12 C +ATOM 727 N CYS A 95 7.285 11.823 21.669 1.00 30.07 N +ATOM 728 CA CYS A 95 8.572 12.206 22.261 1.00 34.70 C +ATOM 729 C CYS A 95 9.678 12.534 21.250 1.00 27.61 C +ATOM 730 O CYS A 95 10.153 11.662 20.531 1.00 28.45 O +ATOM 731 CB CYS A 95 9.094 11.094 23.191 1.00 35.48 C +ATOM 732 SG CYS A 95 8.461 11.081 24.903 1.00 39.13 S +ATOM 733 N LEU A 96 10.069 13.798 21.185 1.00 22.67 N +ATOM 734 CA LEU A 96 11.149 14.190 20.311 1.00 24.05 C +ATOM 735 C LEU A 96 12.410 13.785 21.054 1.00 19.47 C +ATOM 736 O LEU A 96 12.699 14.325 22.111 1.00 25.20 O +ATOM 737 CB LEU A 96 11.133 15.690 20.099 1.00 22.12 C +ATOM 738 CG LEU A 96 9.908 16.164 19.352 1.00 20.04 C +ATOM 739 CD1 LEU A 96 10.177 17.560 18.810 1.00 18.22 C +ATOM 740 CD2 LEU A 96 9.637 15.195 18.212 1.00 22.66 C +ATOM 741 N GLN A 97 13.129 12.796 20.543 1.00 21.01 N +ATOM 742 CA GLN A 97 14.334 12.332 21.221 1.00 21.54 C +ATOM 743 C GLN A 97 15.589 12.335 20.360 1.00 18.94 C +ATOM 744 O GLN A 97 16.647 12.729 20.840 1.00 17.83 O +ATOM 745 CB GLN A 97 14.100 10.942 21.845 1.00 21.98 C +ATOM 746 CG GLN A 97 12.792 10.858 22.626 1.00 18.44 C +ATOM 747 CD GLN A 97 12.727 9.690 23.560 1.00 22.83 C +ATOM 748 OE1 GLN A 97 12.773 8.544 23.124 1.00 28.05 O +ATOM 749 NE2 GLN A 97 12.606 9.965 24.865 1.00 14.39 N +ATOM 750 N GLN A 98 15.467 11.950 19.088 1.00 17.36 N +ATOM 751 CA GLN A 98 16.619 11.912 18.191 1.00 19.30 C +ATOM 752 C GLN A 98 16.285 12.425 16.795 1.00 13.31 C +ATOM 753 O GLN A 98 15.458 11.849 16.117 1.00 20.61 O +ATOM 754 CB GLN A 98 17.155 10.477 18.120 1.00 22.21 C +ATOM 755 CG GLN A 98 16.068 9.418 17.994 1.00 16.69 C +ATOM 756 CD GLN A 98 16.194 8.315 19.035 1.00 27.53 C +ATOM 757 OE1 GLN A 98 16.743 8.519 20.137 1.00 24.73 O +ATOM 758 NE2 GLN A 98 15.660 7.140 18.706 1.00 23.42 N +ATOM 759 N PRO A 99 16.913 13.524 16.352 1.00 10.41 N +ATOM 760 CA PRO A 99 16.600 14.032 15.009 1.00 6.64 C +ATOM 761 C PRO A 99 17.171 13.150 13.946 1.00 8.34 C +ATOM 762 O PRO A 99 18.327 12.752 14.040 1.00 25.75 O +ATOM 763 CB PRO A 99 17.321 15.375 14.947 1.00 3.90 C +ATOM 764 CG PRO A 99 17.516 15.746 16.387 1.00 25.16 C +ATOM 765 CD PRO A 99 17.827 14.432 17.058 1.00 17.86 C +ATOM 766 N VAL A 100 16.371 12.821 12.946 1.00 7.01 N +ATOM 767 CA VAL A 100 16.852 12.037 11.835 1.00 3.12 C +ATOM 768 C VAL A 100 17.426 13.076 10.881 1.00 6.94 C +ATOM 769 O VAL A 100 16.725 13.659 10.051 1.00 11.33 O +ATOM 770 CB VAL A 100 15.728 11.236 11.205 1.00 14.78 C +ATOM 771 CG1 VAL A 100 16.228 10.494 9.940 1.00 8.31 C +ATOM 772 CG2 VAL A 100 15.178 10.249 12.265 1.00 13.77 C +ATOM 773 N GLU A 101 18.715 13.329 11.076 1.00 14.83 N +ATOM 774 CA GLU A 101 19.497 14.307 10.335 1.00 11.54 C +ATOM 775 C GLU A 101 19.591 14.006 8.853 1.00 12.01 C +ATOM 776 O GLU A 101 19.760 12.855 8.445 1.00 8.07 O +ATOM 777 CB GLU A 101 20.944 14.338 10.856 1.00 20.72 C +ATOM 778 CG GLU A 101 21.160 14.211 12.358 1.00 14.69 C +ATOM 779 CD GLU A 101 20.906 15.505 13.100 1.00 18.52 C +ATOM 780 OE1 GLU A 101 20.470 16.490 12.479 1.00 21.68 O +ATOM 781 OE2 GLU A 101 21.144 15.540 14.319 1.00 30.97 O +ATOM 782 N ARG A 102 19.606 15.080 8.078 1.00 4.89 N +ATOM 783 CA ARG A 102 19.758 15.050 6.638 1.00 8.64 C +ATOM 784 C ARG A 102 21.148 14.423 6.360 1.00 17.14 C +ATOM 785 O ARG A 102 22.104 14.671 7.105 1.00 25.47 O +ATOM 786 CB ARG A 102 19.710 16.501 6.167 1.00 10.54 C +ATOM 787 CG ARG A 102 19.190 16.729 4.772 1.00 21.06 C +ATOM 788 CD ARG A 102 18.839 18.195 4.604 1.00 11.98 C +ATOM 789 NE ARG A 102 19.871 19.068 5.156 1.00 27.55 N +ATOM 790 CZ ARG A 102 19.708 20.372 5.380 1.00 38.80 C +ATOM 791 NH1 ARG A 102 18.552 20.972 5.085 1.00 37.97 N +ATOM 792 NH2 ARG A 102 20.678 21.073 5.957 1.00 36.12 N +ATOM 793 N LYS A 103 21.278 13.610 5.314 1.00 22.52 N +ATOM 794 CA LYS A 103 22.563 12.965 5.022 1.00 21.05 C +ATOM 795 C LYS A 103 23.564 13.854 4.298 1.00 19.87 C +ATOM 796 O LYS A 103 23.364 14.166 3.140 1.00 27.18 O +ATOM 797 CB LYS A 103 22.328 11.680 4.241 1.00 13.19 C +ATOM 798 CG LYS A 103 22.388 10.407 5.100 1.00 28.40 C +ATOM 799 CD LYS A 103 22.017 9.174 4.263 1.00 32.92 C +ATOM 800 CE LYS A 103 22.927 7.959 4.520 1.00 31.62 C +ATOM 801 NZ LYS A 103 22.613 6.813 3.588 1.00 32.00 N +ATOM 802 N LEU A 104 24.619 14.288 4.984 1.00 23.61 N +ATOM 803 CA LEU A 104 25.631 15.152 4.365 1.00 27.67 C +ATOM 804 C LEU A 104 26.971 15.204 5.122 1.00 30.03 C +ATOM 805 O LEU A 104 28.008 15.504 4.485 1.00 30.02 O +ATOM 806 CB LEU A 104 25.089 16.578 4.156 1.00 28.54 C +ATOM 807 CG LEU A 104 25.167 17.624 5.275 1.00 38.12 C +ATOM 808 CD1 LEU A 104 24.720 18.996 4.749 1.00 40.30 C +ATOM 809 CD2 LEU A 104 24.325 17.203 6.473 1.00 38.69 C +ATOM 810 OXT LEU A 104 26.974 14.934 6.340 1.00 29.45 O Added: SwiftApps/modFTdock/input/indata/1mj4-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1mj4-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1mj4-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,623 @@ +ATOM 1 N SER A 3 -0.149 -1.284 20.986 1.00 33.55 N +ATOM 2 CA SER A 3 -0.627 -1.490 19.597 1.00 31.35 C +ATOM 3 C SER A 3 0.541 -1.414 18.656 1.00 29.35 C +ATOM 4 O SER A 3 1.644 -0.932 19.049 1.00 31.39 O +ATOM 5 CB SER A 3 -1.585 -0.396 19.178 1.00 32.09 C +ATOM 6 OG SER A 3 -1.048 0.862 19.386 1.00 32.78 O +ATOM 7 N THR A 4 0.337 -1.870 17.431 1.00 26.34 N +ATOM 8 CA THR A 4 1.440 -1.989 16.477 1.00 24.32 C +ATOM 9 C THR A 4 0.902 -1.720 15.122 1.00 20.66 C +ATOM 10 O THR A 4 -0.064 -2.359 14.730 1.00 21.33 O +ATOM 11 CB THR A 4 2.036 -3.403 16.531 1.00 26.25 C +ATOM 12 OG1 THR A 4 2.371 -3.746 17.876 1.00 32.65 O +ATOM 13 CG2 THR A 4 3.418 -3.456 15.817 1.00 29.12 C +ATOM 14 N HIS A 5 1.563 -0.893 14.305 1.00 18.86 N +ATOM 15 CA HIS A 5 1.276 -0.768 12.917 1.00 17.06 C +ATOM 16 C HIS A 5 1.951 -1.923 12.166 1.00 15.06 C +ATOM 17 O HIS A 5 3.154 -2.042 12.205 1.00 16.01 O +ATOM 18 CB HIS A 5 1.640 0.604 12.386 1.00 20.71 C +ATOM 19 CG HIS A 5 0.780 1.060 11.290 1.00 28.49 C +ATOM 20 ND1 HIS A 5 -0.348 1.853 11.494 1.00 32.51 N +ATOM 21 CD2 HIS A 5 0.851 0.848 9.959 1.00 36.52 C +ATOM 22 CE1 HIS A 5 -0.900 2.123 10.318 1.00 39.34 C +ATOM 23 NE2 HIS A 5 -0.178 1.552 9.370 1.00 40.75 N +ATOM 24 N ILE A 6 1.170 -2.755 11.483 1.00 14.96 N +ATOM 25 CA ILE A 6 1.656 -3.938 10.821 1.00 15.88 C +ATOM 26 C ILE A 6 1.634 -3.734 9.324 1.00 16.94 C +ATOM 27 O ILE A 6 0.624 -3.317 8.752 1.00 20.06 O +ATOM 28 CB ILE A 6 0.860 -5.212 11.251 1.00 16.66 C +ATOM 29 CG1 ILE A 6 0.958 -5.530 12.730 1.00 19.17 C +ATOM 30 CG2 ILE A 6 1.199 -6.395 10.364 1.00 19.91 C +ATOM 31 CD1 ILE A 6 2.296 -5.910 13.180 1.00 22.00 C +ATOM 32 N TYR A 7 2.767 -4.087 8.681 1.00 17.81 N +ATOM 33 CA TYR A 7 2.942 -4.040 7.237 1.00 17.76 C +ATOM 34 C TYR A 7 3.300 -5.421 6.752 1.00 18.38 C +ATOM 35 O TYR A 7 3.880 -6.263 7.433 1.00 22.30 O +ATOM 36 CB TYR A 7 4.165 -3.122 6.902 1.00 16.84 C +ATOM 37 CG TYR A 7 4.015 -1.736 7.338 1.00 15.94 C +ATOM 38 CD1 TYR A 7 4.467 -1.319 8.593 1.00 17.81 C +ATOM 39 CD2 TYR A 7 3.361 -0.768 6.542 1.00 20.42 C +ATOM 40 CE1 TYR A 7 4.253 -0.041 9.031 1.00 17.77 C +ATOM 41 CE2 TYR A 7 3.212 0.551 6.995 1.00 20.75 C +ATOM 42 CZ TYR A 7 3.661 0.916 8.250 1.00 21.64 C +ATOM 43 OH TYR A 7 3.522 2.254 8.709 1.00 25.27 O +ATOM 44 N THR A 8 2.889 -5.712 5.506 1.00 20.80 N +ATOM 45 CA THR A 8 3.347 -6.930 4.872 1.00 23.14 C +ATOM 46 C THR A 8 4.653 -6.705 4.139 1.00 23.21 C +ATOM 47 O THR A 8 5.003 -5.556 3.794 1.00 21.10 O +ATOM 48 CB THR A 8 2.381 -7.411 3.771 1.00 24.87 C +ATOM 49 OG1 THR A 8 2.217 -6.412 2.776 1.00 27.01 O +ATOM 50 CG2 THR A 8 0.901 -7.576 4.245 1.00 29.22 C +ATOM 51 N LYS A 9 5.395 -7.806 3.966 1.00 24.00 N +ATOM 52 CA LYS A 9 6.692 -7.760 3.270 1.00 24.09 C +ATOM 53 C LYS A 9 6.507 -7.209 1.881 1.00 24.88 C +ATOM 54 O LYS A 9 7.348 -6.485 1.355 1.00 22.64 O +ATOM 55 CB LYS A 9 7.312 -9.178 3.184 1.00 26.54 C +ATOM 56 CG LYS A 9 8.308 -9.605 4.264 1.00 33.02 C +ATOM 57 CD LYS A 9 8.627 -11.097 4.243 1.00 37.67 C +ATOM 58 CE LYS A 9 9.134 -11.547 5.653 1.00 40.63 C +ATOM 59 NZ LYS A 9 10.029 -12.714 5.609 1.00 43.28 N +ATOM 60 N GLU A 10 5.395 -7.520 1.252 1.00 25.71 N +ATOM 61 CA GLU A 10 5.062 -7.043 -0.054 1.00 26.62 C +ATOM 62 C GLU A 10 4.880 -5.536 -0.075 1.00 26.29 C +ATOM 63 O GLU A 10 5.348 -4.755 -0.944 1.00 26.69 O +ATOM 64 CB GLU A 10 3.759 -7.775 -0.469 1.00 28.87 C +ATOM 65 CG GLU A 10 3.897 -9.270 -0.759 1.00 36.67 C +ATOM 66 CD GLU A 10 4.146 -10.218 0.433 1.00 42.76 C +ATOM 67 OE1 GLU A 10 3.732 -9.944 1.629 1.00 39.25 O +ATOM 68 OE2 GLU A 10 4.768 -11.310 0.146 1.00 48.51 O +ATOM 69 N GLU A 11 4.270 -5.071 1.018 1.00 24.42 N +ATOM 70 C GLU A 11 5.530 -2.803 1.212 1.00 18.72 C +ATOM 71 O GLU A 11 5.834 -1.757 0.658 1.00 20.60 O +ATOM 72 OE1AGLU A 11 0.884 -4.124 4.253 0.50 28.85 O +ATOM 73 OE1BGLU A 11 1.357 -2.751 4.378 0.50 23.67 O +ATOM 74 OE2AGLU A 11 1.297 -1.588 3.658 0.50 30.29 O +ATOM 75 OE2BGLU A 11 1.896 0.252 2.939 0.50 34.00 O +ATOM 76 N VAL A 12 6.313 -3.404 2.117 1.00 16.99 N +ATOM 77 CA VAL A 12 7.641 -2.847 2.374 1.00 14.97 C +ATOM 78 C VAL A 12 8.406 -2.837 1.039 1.00 14.39 C +ATOM 79 O VAL A 12 9.175 -1.880 0.767 1.00 14.00 O +ATOM 80 CB VAL A 12 8.321 -3.677 3.412 1.00 15.12 C +ATOM 81 CG1 VAL A 12 9.754 -3.196 3.575 1.00 15.90 C +ATOM 82 CG2 VAL A 12 7.587 -3.501 4.708 1.00 15.22 C +ATOM 83 N SER A 13 8.305 -3.906 0.239 1.00 14.46 N +ATOM 84 CA SER A 13 9.087 -4.066 -0.965 1.00 14.78 C +ATOM 85 C SER A 13 8.855 -2.973 -2.004 1.00 15.60 C +ATOM 86 O SER A 13 9.717 -2.732 -2.824 1.00 18.15 O +ATOM 87 CB SER A 13 8.862 -5.476 -1.567 1.00 16.75 C +ATOM 88 OG SER A 13 7.685 -5.512 -2.284 1.00 22.50 O +ATOM 89 N SER A 14 7.737 -2.283 -1.918 1.00 15.07 N +ATOM 90 CA SER A 14 7.396 -1.196 -2.844 1.00 17.19 C +ATOM 91 C SER A 14 8.082 0.130 -2.463 1.00 16.70 C +ATOM 92 O SER A 14 8.118 1.054 -3.252 1.00 19.16 O +ATOM 93 CB SER A 14 5.875 -1.048 -2.944 1.00 19.77 C +ATOM 94 OG SER A 14 5.316 -0.389 -1.887 1.00 26.01 O +ATOM 95 N HIS A 15 8.713 0.205 -1.276 1.00 14.30 N +ATOM 96 CA HIS A 15 9.233 1.451 -0.781 1.00 13.67 C +ATOM 97 C HIS A 15 10.725 1.539 -0.962 1.00 12.76 C +ATOM 98 O HIS A 15 11.552 1.283 -0.035 1.00 12.96 O +ATOM 99 CB HIS A 15 8.831 1.599 0.699 1.00 15.68 C +ATOM 100 CG HIS A 15 7.383 1.998 0.822 1.00 17.52 C +ATOM 101 ND1 HIS A 15 6.337 1.107 0.934 1.00 22.02 N +ATOM 102 CD2 HIS A 15 6.828 3.222 0.800 1.00 21.50 C +ATOM 103 CE1 HIS A 15 5.177 1.779 0.998 1.00 20.14 C +ATOM 104 NE2 HIS A 15 5.466 3.064 0.930 1.00 23.93 N +ATOM 105 N THR A 16 11.089 1.926 -2.184 1.00 13.77 N +ATOM 106 CA THR A 16 12.450 1.885 -2.620 1.00 14.13 C +ATOM 107 C THR A 16 12.932 3.227 -3.151 1.00 15.08 C +ATOM 108 O THR A 16 14.063 3.295 -3.617 1.00 18.51 O +ATOM 109 CB THR A 16 12.695 0.775 -3.673 1.00 15.05 C +ATOM 110 OG1 THR A 16 11.858 1.063 -4.819 1.00 16.81 O +ATOM 111 CG2 THR A 16 12.368 -0.586 -3.180 1.00 18.05 C +ATOM 112 N SER A 17 12.143 4.267 -3.043 1.00 16.35 N +ATOM 113 CA SER A 17 12.498 5.616 -3.562 1.00 17.83 C +ATOM 114 C SER A 17 11.969 6.710 -2.614 1.00 18.13 C +ATOM 115 O SER A 17 11.021 6.509 -1.839 1.00 20.87 O +ATOM 116 CB SER A 17 11.900 5.827 -4.994 1.00 19.72 C +ATOM 117 OG SER A 17 10.508 5.967 -4.864 1.00 23.51 O +ATOM 118 N PRO A 18 12.473 7.910 -2.753 1.00 22.71 N +ATOM 119 CA PRO A 18 11.890 9.105 -2.023 1.00 25.42 C +ATOM 120 C PRO A 18 10.422 9.387 -2.227 1.00 28.55 C +ATOM 121 O PRO A 18 9.693 9.717 -1.236 1.00 28.65 O +ATOM 122 CB PRO A 18 12.650 10.239 -2.564 1.00 26.85 C +ATOM 123 CG PRO A 18 13.963 9.623 -2.915 1.00 24.45 C +ATOM 124 CD PRO A 18 13.708 8.216 -3.505 1.00 23.26 C +ATOM 125 N GLU A 19 9.958 9.205 -3.460 1.00 30.81 N +ATOM 126 CA GLU A 19 8.550 9.431 -3.783 1.00 33.11 C +ATOM 127 C GLU A 19 7.681 8.539 -2.917 1.00 31.24 C +ATOM 128 O GLU A 19 6.693 8.981 -2.297 1.00 32.60 O +ATOM 129 CB GLU A 19 8.293 9.214 -5.289 1.00 36.22 C +ATOM 130 CG GLU A 19 7.859 7.825 -5.745 1.00 43.78 C +ATOM 131 CD GLU A 19 7.768 7.644 -7.287 1.00 53.22 C +ATOM 132 OE1 GLU A 19 8.211 8.551 -8.063 1.00 56.87 O +ATOM 133 OE2 GLU A 19 7.255 6.564 -7.731 1.00 57.71 O +ATOM 134 N THR A 20 8.083 7.265 -2.806 1.00 28.23 N +ATOM 135 CA THR A 20 7.340 6.347 -2.019 1.00 26.43 C +ATOM 136 C THR A 20 7.751 6.391 -0.556 1.00 23.03 C +ATOM 137 O THR A 20 6.946 5.978 0.303 1.00 23.92 O +ATOM 138 CB THR A 20 7.579 4.921 -2.577 1.00 26.92 C +ATOM 139 OG1 THR A 20 6.819 3.957 -1.888 1.00 36.89 O +ATOM 140 CG2 THR A 20 8.920 4.492 -2.349 1.00 18.65 C +ATOM 141 N GLY A 21 8.981 6.849 -0.252 1.00 21.55 N +ATOM 142 CA GLY A 21 9.683 6.528 1.025 1.00 17.63 C +ATOM 143 C GLY A 21 10.535 5.284 0.799 1.00 14.49 C +ATOM 144 O GLY A 21 10.138 4.341 0.095 1.00 16.39 O +ATOM 145 N ILE A 22 11.720 5.324 1.420 1.00 10.65 N +ATOM 146 CA ILE A 22 12.697 4.255 1.386 1.00 9.45 C +ATOM 147 C ILE A 22 12.602 3.521 2.721 1.00 9.50 C +ATOM 148 O ILE A 22 12.932 4.108 3.760 1.00 9.61 O +ATOM 149 CB ILE A 22 14.123 4.834 1.189 1.00 10.93 C +ATOM 150 CG1 ILE A 22 14.194 5.666 -0.072 1.00 12.70 C +ATOM 151 CG2 ILE A 22 15.152 3.708 1.226 1.00 11.11 C +ATOM 152 CD1 ILE A 22 15.367 6.609 -0.183 1.00 13.64 C +ATOM 153 N TRP A 23 12.179 2.282 2.681 1.00 9.38 N +ATOM 154 CA TRP A 23 11.998 1.452 3.870 1.00 9.33 C +ATOM 155 C TRP A 23 12.920 0.260 3.866 1.00 8.56 C +ATOM 156 O TRP A 23 13.292 -0.248 2.829 1.00 10.47 O +ATOM 157 CB TRP A 23 10.582 0.955 4.004 1.00 9.52 C +ATOM 158 CG TRP A 23 9.456 2.000 4.067 1.00 11.08 C +ATOM 159 CD1 TRP A 23 9.534 3.370 3.979 1.00 10.37 C +ATOM 160 CD2 TRP A 23 8.072 1.687 4.212 1.00 12.11 C +ATOM 161 NE1 TRP A 23 8.259 3.900 4.045 1.00 12.52 N +ATOM 162 CE2 TRP A 23 7.379 2.898 4.214 1.00 12.41 C +ATOM 163 CE3 TRP A 23 7.373 0.517 4.417 1.00 13.09 C +ATOM 164 CZ2 TRP A 23 5.979 2.963 4.340 1.00 14.27 C +ATOM 165 CZ3 TRP A 23 5.998 0.562 4.521 1.00 16.90 C +ATOM 166 CH2 TRP A 23 5.334 1.775 4.451 1.00 16.44 C +ATOM 167 N VAL A 24 13.272 -0.176 5.066 1.00 8.61 N +ATOM 168 CA VAL A 24 14.011 -1.416 5.314 1.00 8.27 C +ATOM 169 C VAL A 24 13.418 -2.112 6.491 1.00 7.52 C +ATOM 170 O VAL A 24 12.659 -1.552 7.270 1.00 8.80 O +ATOM 171 CB VAL A 24 15.514 -1.182 5.528 1.00 8.09 C +ATOM 172 CG1 VAL A 24 16.182 -0.558 4.296 1.00 9.51 C +ATOM 173 CG2 VAL A 24 15.784 -0.334 6.758 1.00 9.48 C +ATOM 174 N THR A 25 13.804 -3.383 6.682 1.00 8.06 N +ATOM 175 CA THR A 25 13.479 -4.143 7.851 1.00 8.24 C +ATOM 176 C THR A 25 14.712 -4.683 8.585 1.00 7.95 C +ATOM 177 O THR A 25 15.763 -4.876 8.000 1.00 8.14 O +ATOM 178 CB THR A 25 12.462 -5.269 7.555 1.00 9.31 C +ATOM 179 OG1 THR A 25 13.102 -6.320 6.806 1.00 9.63 O +ATOM 180 CG2 THR A 25 11.255 -4.790 6.816 1.00 11.69 C +ATOM 181 N LEU A 26 14.516 -4.907 9.876 1.00 7.42 N +ATOM 182 CA LEU A 26 15.529 -5.542 10.697 1.00 7.71 C +ATOM 183 C LEU A 26 14.771 -6.334 11.731 1.00 8.50 C +ATOM 184 O LEU A 26 13.899 -5.793 12.436 1.00 8.92 O +ATOM 185 CB LEU A 26 16.490 -4.557 11.367 1.00 8.13 C +ATOM 186 CG LEU A 26 17.600 -5.218 12.191 1.00 8.81 C +ATOM 187 CD1 LEU A 26 18.619 -5.947 11.338 1.00 9.92 C +ATOM 188 CD2 LEU A 26 18.336 -4.216 13.015 1.00 10.81 C +ATOM 189 N GLY A 27 15.003 -7.629 11.803 1.00 9.26 N +ATOM 190 CA GLY A 27 14.086 -8.482 12.576 1.00 10.57 C +ATOM 191 C GLY A 27 12.715 -8.367 11.975 1.00 11.50 C +ATOM 192 O GLY A 27 12.532 -8.343 10.769 1.00 13.27 O +ATOM 193 N SER A 28 11.704 -8.220 12.843 1.00 12.29 N +ATOM 194 CA SER A 28 10.317 -7.963 12.401 1.00 13.38 C +ATOM 195 C SER A 28 9.994 -6.495 12.371 1.00 12.58 C +ATOM 196 O SER A 28 8.822 -6.149 12.185 1.00 18.46 O +ATOM 197 CB SER A 28 9.313 -8.682 13.346 1.00 16.11 C +ATOM 198 OG SER A 28 9.514 -10.040 13.097 1.00 24.74 O +ATOM 199 N GLU A 29 10.922 -5.599 12.556 1.00 9.62 N +ATOM 200 CA GLU A 29 10.640 -4.174 12.610 1.00 9.80 C +ATOM 201 C GLU A 29 10.833 -3.532 11.225 1.00 8.71 C +ATOM 202 O GLU A 29 11.717 -3.934 10.444 1.00 9.22 O +ATOM 203 CB GLU A 29 11.494 -3.501 13.671 1.00 9.47 C +ATOM 204 CG GLU A 29 11.210 -3.976 15.075 1.00 10.92 C +ATOM 205 CD GLU A 29 11.946 -3.233 16.141 1.00 13.02 C +ATOM 206 OE1 GLU A 29 13.154 -3.044 16.002 1.00 14.00 O +ATOM 207 OE2 GLU A 29 11.309 -2.820 17.121 1.00 16.99 O +ATOM 208 N VAL A 30 10.023 -2.514 10.943 1.00 8.56 N +ATOM 209 CA VAL A 30 9.980 -1.773 9.685 1.00 8.14 C +ATOM 210 C VAL A 30 10.403 -0.341 9.954 1.00 7.79 C +ATOM 211 O VAL A 30 9.887 0.273 10.915 1.00 9.07 O +ATOM 212 CB VAL A 30 8.593 -1.829 9.050 1.00 9.10 C +ATOM 213 CG1 VAL A 30 8.537 -1.109 7.724 1.00 10.44 C +ATOM 214 CG2 VAL A 30 8.142 -3.276 8.889 1.00 11.07 C +ATOM 215 N PHE A 31 11.287 0.215 9.100 1.00 8.41 N +ATOM 216 CA PHE A 31 11.863 1.531 9.305 1.00 7.65 C +ATOM 217 C PHE A 31 11.740 2.324 8.009 1.00 8.56 C +ATOM 218 O PHE A 31 12.046 1.819 6.930 1.00 9.57 O +ATOM 219 CB PHE A 31 13.358 1.402 9.663 1.00 7.32 C +ATOM 220 CG PHE A 31 13.600 0.534 10.837 1.00 7.09 C +ATOM 221 CD1 PHE A 31 13.787 -0.824 10.688 1.00 8.04 C +ATOM 222 CD2 PHE A 31 13.636 1.033 12.112 1.00 8.01 C +ATOM 223 CE1 PHE A 31 13.986 -1.670 11.763 1.00 8.53 C +ATOM 224 CE2 PHE A 31 13.811 0.224 13.205 1.00 8.44 C +ATOM 225 CZ PHE A 31 13.967 -1.151 13.019 1.00 8.65 C +ATOM 226 N ASP A 32 11.298 3.571 8.124 1.00 8.33 N +ATOM 227 CA ASP A 32 11.268 4.517 6.996 1.00 8.84 C +ATOM 228 C ASP A 32 12.504 5.420 7.151 1.00 7.54 C +ATOM 229 O ASP A 32 12.510 6.337 7.961 1.00 8.46 O +ATOM 230 CB ASP A 32 10.006 5.357 6.965 1.00 9.64 C +ATOM 231 CG ASP A 32 10.030 6.423 5.906 1.00 11.46 C +ATOM 232 OD1 ASP A 32 11.015 6.552 5.208 1.00 10.49 O +ATOM 233 OD2 ASP A 32 9.038 7.207 5.801 1.00 18.38 O +ATOM 234 N VAL A 33 13.566 5.107 6.401 1.00 7.47 N +ATOM 235 CA VAL A 33 14.863 5.710 6.568 1.00 7.80 C +ATOM 236 C VAL A 33 15.127 6.794 5.505 1.00 8.55 C +ATOM 237 O VAL A 33 16.262 7.285 5.411 1.00 9.54 O +ATOM 238 CB VAL A 33 16.012 4.682 6.572 1.00 8.10 C +ATOM 239 CG1 VAL A 33 15.874 3.765 7.779 1.00 8.57 C +ATOM 240 CG2 VAL A 33 16.082 3.895 5.292 1.00 8.06 C +ATOM 241 N THR A 34 14.106 7.239 4.802 1.00 8.82 N +ATOM 242 CA THR A 34 14.225 8.246 3.751 1.00 8.75 C +ATOM 243 C THR A 34 15.103 9.405 4.166 1.00 10.17 C +ATOM 244 O THR A 34 16.003 9.787 3.385 1.00 10.72 O +ATOM 245 CB THR A 34 12.823 8.742 3.375 1.00 10.32 C +ATOM 246 OG1 THR A 34 11.967 7.659 3.041 1.00 10.66 O +ATOM 247 CG2 THR A 34 12.873 9.646 2.150 1.00 13.12 C +ATOM 248 N GLU A 35 14.844 10.010 5.304 1.00 9.76 N +ATOM 249 CA GLU A 35 15.560 11.209 5.710 1.00 10.55 C +ATOM 250 C GLU A 35 16.966 10.967 6.162 1.00 10.41 C +ATOM 251 O GLU A 35 17.747 11.929 6.233 1.00 14.84 O +ATOM 252 CB GLU A 35 14.781 12.045 6.697 1.00 12.76 C +ATOM 253 CG GLU A 35 13.434 12.527 6.128 1.00 15.04 C +ATOM 254 CD GLU A 35 13.584 13.358 4.852 1.00 30.10 C +ATOM 255 OE1 GLU A 35 14.578 14.142 4.720 1.00 31.70 O +ATOM 256 OE2 GLU A 35 12.743 13.191 3.917 1.00 39.27 O +ATOM 257 N PHE A 36 17.366 9.738 6.431 1.00 8.93 N +ATOM 258 CA PHE A 36 18.728 9.407 6.796 1.00 8.40 C +ATOM 259 C PHE A 36 19.620 9.146 5.604 1.00 7.60 C +ATOM 260 O PHE A 36 20.843 9.285 5.745 1.00 8.42 O +ATOM 261 CB PHE A 36 18.752 8.173 7.716 1.00 8.52 C +ATOM 262 CG PHE A 36 20.112 7.755 8.140 1.00 8.38 C +ATOM 263 CD1 PHE A 36 20.871 8.538 9.024 1.00 9.85 C +ATOM 264 CD2 PHE A 36 20.683 6.608 7.619 1.00 8.92 C +ATOM 265 CE1 PHE A 36 22.159 8.186 9.328 1.00 10.83 C +ATOM 266 CE2 PHE A 36 21.989 6.281 7.949 1.00 10.20 C +ATOM 267 CZ PHE A 36 22.693 7.013 8.808 1.00 10.63 C +ATOM 268 N VAL A 37 19.130 8.632 4.489 1.00 8.44 N +ATOM 269 CA VAL A 37 20.003 7.982 3.523 1.00 8.37 C +ATOM 270 C VAL A 37 21.165 8.810 3.053 1.00 7.25 C +ATOM 271 O VAL A 37 22.266 8.296 2.951 1.00 7.89 O +ATOM 272 CG1AVAL A 37 18.157 6.522 2.789 0.50 11.74 C +ATOM 273 CG1BVAL A 37 19.782 7.200 1.030 0.50 15.69 C +ATOM 274 CG2AVAL A 37 18.708 8.322 1.405 0.50 12.01 C +ATOM 275 CG2BVAL A 37 18.082 6.400 2.790 0.50 19.98 C +ATOM 276 N ASP A 38 20.967 10.104 2.782 1.00 8.08 N +ATOM 277 CA ASP A 38 22.061 10.930 2.227 1.00 9.53 C +ATOM 278 C ASP A 38 23.202 11.081 3.243 1.00 8.83 C +ATOM 279 O ASP A 38 24.329 11.419 2.869 1.00 9.87 O +ATOM 280 CB ASP A 38 21.560 12.287 1.816 1.00 10.14 C +ATOM 281 CG ASP A 38 20.706 12.299 0.539 1.00 11.01 C +ATOM 282 OD1 ASP A 38 20.605 11.265 -0.115 1.00 12.67 O +ATOM 283 OD2 ASP A 38 20.206 13.410 0.276 1.00 14.14 O +ATOM 284 N LEU A 39 22.934 10.872 4.562 1.00 8.48 N +ATOM 285 CA LEU A 39 23.892 10.967 5.632 1.00 8.87 C +ATOM 286 C LEU A 39 24.585 9.655 5.901 1.00 8.90 C +ATOM 287 O LEU A 39 25.441 9.580 6.790 1.00 11.19 O +ATOM 288 CB LEU A 39 23.214 11.441 6.938 1.00 9.64 C +ATOM 289 CG LEU A 39 22.699 12.854 6.965 1.00 13.87 C +ATOM 290 CD1 LEU A 39 23.713 13.843 6.707 1.00 16.24 C +ATOM 291 CD2 LEU A 39 21.497 13.215 6.144 1.00 18.57 C +ATOM 292 N HIS A 40 24.281 8.608 5.189 1.00 8.21 N +ATOM 293 CA HIS A 40 24.912 7.330 5.440 1.00 8.59 C +ATOM 294 C HIS A 40 26.407 7.425 5.202 1.00 9.30 C +ATOM 295 O HIS A 40 26.823 7.870 4.124 1.00 11.28 O +ATOM 296 CB HIS A 40 24.340 6.249 4.526 1.00 7.71 C +ATOM 297 CG HIS A 40 24.895 4.890 4.786 1.00 7.37 C +ATOM 298 ND1 HIS A 40 25.663 4.211 3.882 1.00 7.73 N +ATOM 299 CD2 HIS A 40 24.870 4.116 5.904 1.00 7.91 C +ATOM 300 CE1 HIS A 40 26.033 3.051 4.422 1.00 8.48 C +ATOM 301 NE2 HIS A 40 25.558 2.945 5.663 1.00 7.08 N +ATOM 302 N PRO A 41 27.246 7.008 6.126 1.00 9.99 N +ATOM 303 CA PRO A 41 28.694 7.025 5.896 1.00 12.81 C +ATOM 304 C PRO A 41 29.139 6.317 4.576 1.00 17.39 C +ATOM 305 O PRO A 41 28.660 5.250 4.386 1.00 18.18 O +ATOM 306 CB PRO A 41 29.307 6.433 7.183 1.00 13.21 C +ATOM 307 CG PRO A 41 28.341 6.882 8.202 1.00 11.01 C +ATOM 308 CD PRO A 41 26.953 6.661 7.526 1.00 10.49 C +ATOM 309 N GLY A 42 29.918 7.031 3.712 1.00 19.48 N +ATOM 310 CA GLY A 42 30.307 6.601 2.349 1.00 19.88 C +ATOM 311 C GLY A 42 29.247 6.907 1.280 1.00 18.98 C +ATOM 312 O GLY A 42 29.414 6.648 0.076 1.00 21.51 O +ATOM 313 N GLY A 43 28.137 7.398 1.667 1.00 17.81 N +ATOM 314 CA GLY A 43 27.148 7.710 0.778 1.00 15.92 C +ATOM 315 C GLY A 43 26.002 6.719 0.760 1.00 11.41 C +ATOM 316 O GLY A 43 26.010 5.586 1.300 1.00 11.57 O +ATOM 317 N PRO A 44 24.960 7.215 0.188 1.00 9.71 N +ATOM 318 CA PRO A 44 23.692 6.527 0.176 1.00 8.47 C +ATOM 319 C PRO A 44 23.641 5.351 -0.712 1.00 7.55 C +ATOM 320 O PRO A 44 22.790 4.495 -0.490 1.00 8.51 O +ATOM 321 CB PRO A 44 22.711 7.615 -0.260 1.00 11.62 C +ATOM 322 CG PRO A 44 23.487 8.574 -0.977 1.00 13.39 C +ATOM 323 CD PRO A 44 24.820 8.646 -0.278 1.00 12.38 C +ATOM 324 N SER A 45 24.433 5.248 -1.777 1.00 7.58 N +ATOM 325 CA SER A 45 24.217 4.169 -2.737 1.00 7.51 C +ATOM 326 C SER A 45 24.424 2.789 -2.087 1.00 7.72 C +ATOM 327 O SER A 45 23.709 1.845 -2.465 1.00 8.23 O +ATOM 328 CB SER A 45 25.052 4.344 -4.000 1.00 8.71 C +ATOM 329 N LYS A 46 25.388 2.607 -1.185 1.00 7.68 N +ATOM 330 CA LYS A 46 25.534 1.313 -0.536 1.00 8.85 C +ATOM 331 C LYS A 46 24.303 0.961 0.263 1.00 8.69 C +ATOM 332 O LYS A 46 23.807 -0.181 0.208 1.00 9.20 O +ATOM 333 CB LYS A 46 26.749 1.334 0.349 1.00 13.15 C +ATOM 334 CG LYS A 46 27.950 0.961 -0.400 1.00 18.62 C +ATOM 335 CD LYS A 46 28.207 -0.491 0.028 1.00 27.42 C +ATOM 336 CE LYS A 46 29.697 -0.710 0.087 1.00 27.70 C +ATOM 337 NZ LYS A 46 29.983 -1.808 -0.942 1.00 23.04 N +ATOM 338 N LEU A 47 23.772 1.890 1.060 1.00 7.91 N +ATOM 339 CA LEU A 47 22.590 1.667 1.836 1.00 7.92 C +ATOM 340 C LEU A 47 21.459 1.215 0.949 1.00 7.84 C +ATOM 341 O LEU A 47 20.672 0.304 1.313 1.00 8.34 O +ATOM 342 CB LEU A 47 22.251 2.946 2.646 1.00 8.28 C +ATOM 343 CG LEU A 47 21.000 2.918 3.518 1.00 8.02 C +ATOM 344 CD1 LEU A 47 21.096 3.982 4.589 1.00 8.43 C +ATOM 345 CD2 LEU A 47 19.716 3.102 2.715 1.00 9.93 C +ATOM 346 N MET A 48 21.325 1.838 -0.220 1.00 7.39 N +ATOM 347 CA MET A 48 20.210 1.607 -1.107 1.00 7.72 C +ATOM 348 C MET A 48 20.180 0.193 -1.653 1.00 7.56 C +ATOM 349 O MET A 48 19.113 -0.233 -2.114 1.00 8.64 O +ATOM 350 CB MET A 48 20.189 2.600 -2.251 1.00 8.01 C +ATOM 351 CG MET A 48 19.826 3.997 -1.806 1.00 9.01 C +ATOM 352 SD MET A 48 18.229 4.170 -0.989 1.00 10.25 S +ATOM 353 CE MET A 48 17.117 3.816 -2.367 1.00 10.62 C +ATOM 354 N LEU A 49 21.279 -0.558 -1.597 1.00 7.90 N +ATOM 355 CA LEU A 49 21.236 -1.979 -1.957 1.00 8.78 C +ATOM 356 C LEU A 49 20.178 -2.731 -1.186 1.00 8.92 C +ATOM 357 O LEU A 49 19.641 -3.721 -1.701 1.00 9.66 O +ATOM 358 CB LEU A 49 22.599 -2.586 -1.773 1.00 8.51 C +ATOM 359 CG LEU A 49 23.704 -2.170 -2.699 1.00 10.24 C +ATOM 360 CD1 LEU A 49 25.050 -2.677 -2.226 1.00 10.82 C +ATOM 361 CD2 LEU A 49 23.390 -2.548 -4.162 1.00 11.88 C +ATOM 362 N ALA A 50 19.885 -2.313 0.029 1.00 8.35 N +ATOM 363 CA ALA A 50 18.933 -2.993 0.894 1.00 8.69 C +ATOM 364 C ALA A 50 17.537 -2.448 0.810 1.00 8.71 C +ATOM 365 O ALA A 50 16.643 -2.977 1.460 1.00 9.40 O +ATOM 366 CB ALA A 50 19.460 -2.938 2.354 1.00 9.70 C +ATOM 367 N ALA A 51 17.306 -1.371 0.056 1.00 8.87 N +ATOM 368 CA ALA A 51 15.985 -0.731 0.047 1.00 9.53 C +ATOM 369 C ALA A 51 14.881 -1.708 -0.253 1.00 9.09 C +ATOM 370 O ALA A 51 14.963 -2.522 -1.162 1.00 10.71 O +ATOM 371 CB ALA A 51 15.975 0.410 -0.974 1.00 10.72 C +ATOM 372 N GLY A 52 13.789 -1.588 0.493 1.00 9.29 N +ATOM 373 CA GLY A 52 12.627 -2.419 0.303 1.00 11.14 C +ATOM 374 C GLY A 52 12.689 -3.778 0.948 1.00 11.02 C +ATOM 375 O GLY A 52 11.719 -4.529 0.800 1.00 15.34 O +ATOM 376 N GLY A 53 13.712 -4.100 1.702 1.00 9.48 N +ATOM 377 CA GLY A 53 13.904 -5.416 2.234 1.00 10.30 C +ATOM 378 C GLY A 53 14.708 -5.457 3.505 1.00 8.53 C +ATOM 379 O GLY A 53 14.951 -4.416 4.143 1.00 8.54 O +ATOM 380 N PRO A 54 15.127 -6.651 3.899 1.00 8.85 N +ATOM 381 CA PRO A 54 15.821 -6.823 5.161 1.00 7.90 C +ATOM 382 C PRO A 54 17.263 -6.335 5.081 1.00 7.58 C +ATOM 383 O PRO A 54 18.003 -6.485 4.088 1.00 8.29 O +ATOM 384 CB PRO A 54 15.795 -8.339 5.335 1.00 9.80 C +ATOM 385 CG PRO A 54 15.788 -8.880 3.910 1.00 12.29 C +ATOM 386 CD PRO A 54 14.891 -7.944 3.180 1.00 10.01 C +ATOM 387 N LEU A 55 17.739 -5.799 6.193 1.00 7.07 N +ATOM 388 CA LEU A 55 19.139 -5.417 6.355 1.00 6.41 C +ATOM 389 C LEU A 55 20.031 -6.615 6.605 1.00 6.87 C +ATOM 390 O LEU A 55 21.239 -6.553 6.256 1.00 7.25 O +ATOM 391 CB LEU A 55 19.312 -4.415 7.515 1.00 7.47 C +ATOM 392 CG LEU A 55 18.665 -3.046 7.262 1.00 6.66 C +ATOM 393 CD1 LEU A 55 18.761 -2.194 8.500 1.00 7.94 C +ATOM 394 CD2 LEU A 55 19.363 -2.349 6.122 1.00 9.74 C +ATOM 395 N GLU A 56 19.543 -7.650 7.238 1.00 7.06 N +ATOM 396 CA GLU A 56 20.380 -8.754 7.680 1.00 7.80 C +ATOM 397 C GLU A 56 21.350 -9.293 6.639 1.00 7.21 C +ATOM 398 O GLU A 56 22.526 -9.496 6.981 1.00 7.60 O +ATOM 399 CB GLU A 56 19.579 -9.937 8.242 1.00 8.71 C +ATOM 400 CG GLU A 56 18.852 -9.658 9.543 1.00 9.64 C +ATOM 401 CD GLU A 56 17.473 -9.035 9.471 1.00 9.21 C +ATOM 402 OE1 GLU A 56 17.125 -8.352 8.522 1.00 8.85 O +ATOM 403 OE2 GLU A 56 16.753 -9.250 10.508 1.00 10.08 O +ATOM 404 N PRO A 57 20.960 -9.561 5.394 1.00 7.78 N +ATOM 405 CA PRO A 57 21.899 -10.203 4.471 1.00 8.76 C +ATOM 406 C PRO A 57 23.068 -9.279 4.126 1.00 8.57 C +ATOM 407 O PRO A 57 24.093 -9.785 3.639 1.00 10.87 O +ATOM 408 CB PRO A 57 21.086 -10.413 3.225 1.00 11.27 C +ATOM 409 CG PRO A 57 19.617 -10.305 3.589 1.00 13.99 C +ATOM 410 CD PRO A 57 19.636 -9.468 4.812 1.00 8.40 C +ATOM 411 N PHE A 58 22.926 -7.973 4.284 1.00 7.83 N +ATOM 412 CA PHE A 58 23.937 -6.962 3.979 1.00 8.08 C +ATOM 413 C PHE A 58 24.745 -6.627 5.201 1.00 7.79 C +ATOM 414 O PHE A 58 26.017 -6.636 5.191 1.00 8.66 O +ATOM 415 CB PHE A 58 23.297 -5.688 3.438 1.00 7.67 C +ATOM 416 CG PHE A 58 22.582 -5.894 2.139 1.00 8.74 C +ATOM 417 CD1 PHE A 58 21.228 -6.200 2.084 1.00 10.16 C +ATOM 418 CD2 PHE A 58 23.324 -5.831 0.919 1.00 9.05 C +ATOM 419 CE1 PHE A 58 20.612 -6.445 0.856 1.00 12.07 C +ATOM 420 CE2 PHE A 58 22.659 -6.075 -0.239 1.00 11.58 C +ATOM 421 CZ PHE A 58 21.324 -6.402 -0.304 1.00 11.88 C +ATOM 422 N TRP A 59 24.091 -6.359 6.342 1.00 7.92 N +ATOM 423 CA TRP A 59 24.753 -6.031 7.579 1.00 7.64 C +ATOM 424 C TRP A 59 25.656 -7.164 8.074 1.00 7.00 C +ATOM 425 O TRP A 59 26.630 -6.912 8.753 1.00 8.08 O +ATOM 426 CB TRP A 59 23.797 -5.611 8.648 1.00 7.60 C +ATOM 427 CG TRP A 59 23.353 -4.178 8.601 1.00 7.47 C +ATOM 428 CD1 TRP A 59 23.508 -3.278 7.581 1.00 7.63 C +ATOM 429 CD2 TRP A 59 22.705 -3.455 9.645 1.00 6.55 C +ATOM 430 NE1 TRP A 59 23.065 -2.053 7.933 1.00 8.01 N +ATOM 431 CE2 TRP A 59 22.581 -2.116 9.217 1.00 7.42 C +ATOM 432 CE3 TRP A 59 22.245 -3.775 10.915 1.00 7.51 C +ATOM 433 CZ2 TRP A 59 22.033 -1.137 10.005 1.00 7.93 C +ATOM 434 CZ3 TRP A 59 21.714 -2.815 11.719 1.00 8.21 C +ATOM 435 CH2 TRP A 59 21.631 -1.490 11.269 1.00 8.59 C +ATOM 436 N ALA A 60 25.372 -8.384 7.709 1.00 8.02 N +ATOM 437 CA ALA A 60 26.191 -9.517 8.056 1.00 8.23 C +ATOM 438 C ALA A 60 27.642 -9.321 7.653 1.00 8.11 C +ATOM 439 O ALA A 60 28.560 -9.792 8.344 1.00 9.34 O +ATOM 440 CB ALA A 60 25.687 -10.807 7.409 1.00 8.83 C +ATOM 441 N LEU A 61 27.875 -8.619 6.535 1.00 6.86 N +ATOM 442 CA LEU A 61 29.222 -8.374 6.002 1.00 7.38 C +ATOM 443 C LEU A 61 29.872 -7.126 6.529 1.00 7.27 C +ATOM 444 O LEU A 61 31.016 -6.870 6.208 1.00 8.82 O +ATOM 445 CD1ALEU A 61 30.487 -10.107 3.594 0.50 12.35 C +ATOM 446 CD1BLEU A 61 27.604 -10.235 3.889 0.50 17.98 C +ATOM 447 CD2ALEU A 61 27.840 -10.296 3.876 0.50 7.74 C +ATOM 448 CD2BLEU A 61 29.570 -9.625 2.385 0.50 10.29 C +ATOM 449 N TYR A 62 29.130 -6.351 7.331 1.00 7.12 N +ATOM 450 CA TYR A 62 29.574 -5.043 7.811 1.00 7.23 C +ATOM 451 C TYR A 62 29.320 -4.906 9.293 1.00 7.34 C +ATOM 452 O TYR A 62 28.354 -4.292 9.742 1.00 6.93 O +ATOM 453 CB TYR A 62 28.890 -3.933 6.997 1.00 8.13 C +ATOM 454 CG TYR A 62 29.341 -3.902 5.574 1.00 8.25 C +ATOM 455 CD1 TYR A 62 30.548 -3.254 5.248 1.00 11.56 C +ATOM 456 CD2 TYR A 62 28.660 -4.466 4.536 1.00 8.40 C +ATOM 457 CE1 TYR A 62 31.016 -3.251 3.955 1.00 12.44 C +ATOM 458 CE2 TYR A 62 29.095 -4.434 3.234 1.00 9.53 C +ATOM 459 CZ TYR A 62 30.255 -3.816 2.939 1.00 11.03 C +ATOM 460 OH TYR A 62 30.762 -3.710 1.641 1.00 13.53 O +ATOM 461 N ALA A 63 30.237 -5.498 10.080 1.00 8.33 N +ATOM 462 CA ALA A 63 30.122 -5.496 11.517 1.00 8.60 C +ATOM 463 C ALA A 63 30.288 -4.132 12.152 1.00 8.03 C +ATOM 464 O ALA A 63 29.921 -3.994 13.335 1.00 8.53 O +ATOM 465 CB ALA A 63 31.085 -6.484 12.135 1.00 9.53 C +ATOM 466 N VAL A 64 30.627 -3.098 11.440 1.00 8.03 N +ATOM 467 CA VAL A 64 30.558 -1.726 11.956 1.00 8.74 C +ATOM 468 C VAL A 64 29.107 -1.375 12.375 1.00 7.61 C +ATOM 469 O VAL A 64 28.943 -0.501 13.218 1.00 8.85 O +ATOM 470 CB VAL A 64 31.035 -0.748 10.865 1.00 11.13 C +ATOM 471 CG1 VAL A 64 30.096 -0.605 9.688 1.00 11.52 C +ATOM 472 CG2 VAL A 64 31.366 0.606 11.495 1.00 13.82 C +ATOM 473 N HIS A 65 28.093 -2.039 11.855 1.00 7.14 N +ATOM 474 CA HIS A 65 26.739 -1.790 12.295 1.00 6.51 C +ATOM 475 C HIS A 65 26.388 -2.405 13.652 1.00 7.03 C +ATOM 476 O HIS A 65 25.333 -2.138 14.199 1.00 7.32 O +ATOM 477 CB HIS A 65 25.711 -2.206 11.224 1.00 6.63 C +ATOM 478 CG HIS A 65 25.918 -1.553 9.923 1.00 5.98 C +ATOM 479 ND1 HIS A 65 26.682 -2.124 8.921 1.00 6.80 N +ATOM 480 CD2 HIS A 65 25.549 -0.332 9.441 1.00 6.73 C +ATOM 481 CE1 HIS A 65 26.685 -1.266 7.889 1.00 6.50 C +ATOM 482 NE2 HIS A 65 25.977 -0.181 8.141 1.00 6.81 N +ATOM 483 N ASN A 66 27.291 -3.259 14.173 1.00 7.39 N +ATOM 484 CA ASN A 66 27.054 -3.946 15.411 1.00 7.81 C +ATOM 485 C ASN A 66 27.544 -3.141 16.610 1.00 7.90 C +ATOM 486 O ASN A 66 28.469 -3.527 17.312 1.00 9.77 O +ATOM 487 CB ASN A 66 27.685 -5.353 15.369 1.00 8.52 C +ATOM 488 CG ASN A 66 27.171 -6.163 14.204 1.00 8.33 C +ATOM 489 OD1 ASN A 66 26.073 -5.876 13.680 1.00 10.80 O +ATOM 490 ND2 ASN A 66 27.847 -7.217 13.832 1.00 8.80 N +ATOM 491 N GLN A 67 26.933 -1.978 16.773 1.00 7.54 N +ATOM 492 CA GLN A 67 27.229 -1.013 17.817 1.00 7.40 C +ATOM 493 C GLN A 67 25.915 -0.505 18.358 1.00 7.01 C +ATOM 494 O GLN A 67 24.956 -0.309 17.601 1.00 7.34 O +ATOM 495 CB GLN A 67 28.039 0.151 17.336 1.00 8.80 C +ATOM 496 CG GLN A 67 29.418 -0.186 16.787 1.00 9.56 C +ATOM 497 CD GLN A 67 30.118 1.028 16.328 1.00 9.08 C +ATOM 498 OE1 GLN A 67 30.535 1.853 17.186 1.00 11.99 O +ATOM 499 NE2 GLN A 67 30.234 1.267 15.044 1.00 10.37 N +ATOM 500 N SER A 68 25.820 -0.255 19.672 1.00 7.02 N +ATOM 501 CA SER A 68 24.569 0.220 20.243 1.00 7.20 C +ATOM 502 C SER A 68 24.107 1.521 19.615 1.00 6.22 C +ATOM 503 O SER A 68 22.893 1.712 19.440 1.00 7.17 O +ATOM 504 CB SER A 68 24.667 0.357 21.760 1.00 8.18 C +ATOM 505 OG SER A 68 25.517 1.380 22.170 1.00 10.44 O +ATOM 506 N HIS A 69 25.010 2.421 19.244 1.00 6.42 N +ATOM 507 CA HIS A 69 24.568 3.705 18.696 1.00 6.52 C +ATOM 508 C HIS A 69 23.906 3.509 17.352 1.00 6.56 C +ATOM 509 O HIS A 69 22.903 4.170 17.036 1.00 6.99 O +ATOM 510 CB HIS A 69 25.695 4.733 18.594 1.00 7.11 C +ATOM 511 CG HIS A 69 26.519 4.665 17.345 1.00 8.55 C +ATOM 512 ND1 HIS A 69 26.154 5.385 16.229 1.00 8.94 N +ATOM 513 CD2 HIS A 69 27.694 4.090 17.045 1.00 9.42 C +ATOM 514 CE1 HIS A 69 27.077 5.180 15.294 1.00 9.07 C +ATOM 515 NE2 HIS A 69 28.031 4.409 15.787 1.00 9.87 N +ATOM 516 N VAL A 70 24.381 2.560 16.534 1.00 5.86 N +ATOM 517 CA VAL A 70 23.790 2.325 15.225 1.00 6.17 C +ATOM 518 C VAL A 70 22.385 1.803 15.353 1.00 6.15 C +ATOM 519 O VAL A 70 21.458 2.178 14.653 1.00 6.87 O +ATOM 520 CB VAL A 70 24.654 1.360 14.388 1.00 6.47 C +ATOM 521 CG1 VAL A 70 23.984 1.020 13.080 1.00 7.28 C +ATOM 522 CG2 VAL A 70 26.062 1.935 14.161 1.00 7.32 C +ATOM 523 N ARG A 71 22.213 0.878 16.313 1.00 6.88 N +ATOM 524 CA ARG A 71 20.882 0.280 16.497 1.00 7.22 C +ATOM 525 C ARG A 71 19.845 1.279 17.000 1.00 6.90 C +ATOM 526 O ARG A 71 18.696 1.235 16.577 1.00 7.69 O +ATOM 527 CB ARG A 71 20.979 -0.913 17.432 1.00 8.34 C +ATOM 528 CG ARG A 71 21.943 -1.974 16.946 1.00 9.85 C +ATOM 529 CD ARG A 71 21.895 -2.287 15.438 1.00 9.86 C +ATOM 530 NE ARG A 71 22.817 -3.317 15.023 1.00 9.94 N +ATOM 531 CZ ARG A 71 22.562 -4.606 15.026 1.00 10.61 C +ATOM 532 NH1 ARG A 71 21.375 -5.044 15.407 1.00 11.56 N +ATOM 533 NH2 ARG A 71 23.478 -5.460 14.617 1.00 11.95 N +ATOM 534 N GLU A 72 20.262 2.185 17.902 1.00 7.02 N +ATOM 535 CA GLU A 72 19.329 3.172 18.396 1.00 7.25 C +ATOM 536 C GLU A 72 19.086 4.267 17.342 1.00 6.60 C +ATOM 537 O GLU A 72 17.963 4.774 17.233 1.00 7.67 O +ATOM 538 CB GLU A 72 19.750 3.737 19.729 1.00 8.42 C +ATOM 539 CG GLU A 72 18.668 4.639 20.418 1.00 10.41 C +ATOM 540 CD GLU A 72 17.241 4.003 20.546 1.00 11.56 C +ATOM 541 OE1 GLU A 72 17.126 2.757 20.660 1.00 11.80 O +ATOM 542 OE2 GLU A 72 16.272 4.792 20.656 1.00 15.38 O +ATOM 543 N LEU A 73 20.095 4.586 16.516 1.00 6.20 N +ATOM 544 CA LEU A 73 19.888 5.493 15.415 1.00 6.81 C +ATOM 545 C LEU A 73 18.798 4.989 14.485 1.00 6.41 C +ATOM 546 O LEU A 73 17.842 5.661 14.157 1.00 7.21 O +ATOM 547 CB LEU A 73 21.205 5.735 14.668 1.00 7.81 C +ATOM 548 CG LEU A 73 21.135 6.645 13.439 1.00 9.27 C +ATOM 549 CD1 LEU A 73 22.568 7.257 13.202 1.00 11.59 C +ATOM 550 CD2 LEU A 73 20.711 5.956 12.194 1.00 9.63 C +ATOM 551 N LEU A 74 18.916 3.696 14.105 1.00 6.58 N +ATOM 552 CA LEU A 74 17.913 3.098 13.254 1.00 6.37 C +ATOM 553 C LEU A 74 16.530 3.145 13.893 1.00 6.68 C +ATOM 554 O LEU A 74 15.544 3.393 13.217 1.00 7.51 O +ATOM 555 CB LEU A 74 18.325 1.656 12.926 1.00 7.56 C +ATOM 556 CG LEU A 74 17.370 0.879 12.041 1.00 7.42 C +ATOM 557 CD1 LEU A 74 17.145 1.482 10.669 1.00 9.32 C +ATOM 558 CD2 LEU A 74 17.804 -0.590 11.916 1.00 9.95 C +ATOM 559 N ALA A 75 16.460 2.868 15.204 1.00 6.86 N +ATOM 560 CA ALA A 75 15.196 2.894 15.915 1.00 7.56 C +ATOM 561 C ALA A 75 14.464 4.196 15.801 1.00 7.18 C +ATOM 562 O ALA A 75 13.236 4.195 15.898 1.00 8.48 O +ATOM 563 CB ALA A 75 15.458 2.581 17.404 1.00 8.25 C +ATOM 564 N GLN A 76 15.127 5.330 15.547 1.00 7.39 N +ATOM 565 CA GLN A 76 14.441 6.581 15.417 1.00 7.63 C +ATOM 566 C GLN A 76 13.565 6.604 14.197 1.00 7.88 C +ATOM 567 O GLN A 76 12.653 7.452 14.118 1.00 11.04 O +ATOM 568 CB GLN A 76 15.459 7.751 15.333 1.00 8.27 C +ATOM 569 CG GLN A 76 16.419 7.841 16.474 1.00 9.09 C +ATOM 570 CD GLN A 76 15.801 7.718 17.804 1.00 9.19 C +ATOM 571 OE1 GLN A 76 14.983 8.587 18.182 1.00 11.73 O +ATOM 572 NE2 GLN A 76 16.120 6.657 18.536 1.00 9.64 N +ATOM 573 N TYR A 77 13.759 5.720 13.258 1.00 7.65 N +ATOM 574 CA TYR A 77 13.045 5.669 11.996 1.00 7.67 C +ATOM 575 C TYR A 77 11.988 4.583 11.956 1.00 8.29 C +ATOM 576 O TYR A 77 11.382 4.340 10.938 1.00 8.54 O +ATOM 577 CB TYR A 77 14.061 5.527 10.853 1.00 7.28 C +ATOM 578 CG TYR A 77 14.984 6.723 10.759 1.00 7.91 C +ATOM 579 CD1 TYR A 77 14.655 7.854 10.091 1.00 9.04 C +ATOM 580 CD2 TYR A 77 16.224 6.692 11.382 1.00 7.92 C +ATOM 581 CE1 TYR A 77 15.481 8.953 10.071 1.00 9.61 C +ATOM 582 CE2 TYR A 77 17.073 7.775 11.362 1.00 8.88 C +ATOM 583 CZ TYR A 77 16.700 8.900 10.705 1.00 7.97 C +ATOM 584 OH TYR A 77 17.571 9.993 10.675 1.00 9.51 O +ATOM 585 N LYS A 78 11.739 3.900 13.095 1.00 8.41 N +ATOM 586 CA LYS A 78 10.757 2.794 13.111 1.00 8.24 C +ATOM 587 C LYS A 78 9.379 3.324 12.815 1.00 9.66 C +ATOM 588 O LYS A 78 8.944 4.354 13.366 1.00 10.76 O +ATOM 589 CB LYS A 78 10.775 2.128 14.474 1.00 9.62 C +ATOM 590 CG LYS A 78 9.835 0.926 14.524 1.00 11.31 C +ATOM 591 CD LYS A 78 9.930 0.150 15.848 1.00 12.60 C +ATOM 592 CE LYS A 78 8.857 -0.917 15.874 1.00 15.57 C +ATOM 593 NZ LYS A 78 8.861 -1.661 17.210 1.00 16.15 N +ATOM 594 N ILE A 79 8.648 2.625 11.962 1.00 9.08 N +ATOM 595 CA ILE A 79 7.248 2.914 11.631 1.00 10.12 C +ATOM 596 C ILE A 79 6.299 1.796 11.974 1.00 10.46 C +ATOM 597 O ILE A 79 5.084 2.012 11.997 1.00 12.94 O +ATOM 598 CB ILE A 79 7.066 3.352 10.180 1.00 11.54 C +ATOM 599 CG1 ILE A 79 7.517 2.308 9.184 1.00 11.67 C +ATOM 600 CG2 ILE A 79 7.756 4.730 9.955 1.00 12.85 C +ATOM 601 CD1 ILE A 79 7.088 2.647 7.755 1.00 12.21 C +ATOM 602 N GLY A 80 6.775 0.586 12.258 1.00 10.35 N +ATOM 603 CA GLY A 80 5.898 -0.518 12.567 1.00 11.52 C +ATOM 604 C GLY A 80 6.627 -1.829 12.495 1.00 11.03 C +ATOM 605 O GLY A 80 7.839 -1.874 12.683 1.00 10.48 O +ATOM 606 N GLU A 81 5.864 -2.897 12.246 1.00 12.09 N +ATOM 607 CA GLU A 81 6.355 -4.225 12.267 1.00 12.88 C +ATOM 608 C GLU A 81 5.786 -5.035 11.138 1.00 12.91 C +ATOM 609 O GLU A 81 4.730 -4.700 10.608 1.00 14.10 O +ATOM 610 CB GLU A 81 6.104 -4.883 13.645 1.00 14.97 C +ATOM 611 CG GLU A 81 6.760 -4.121 14.751 1.00 16.03 C +ATOM 612 CD GLU A 81 6.672 -4.676 16.148 1.00 20.41 C +ATOM 613 OE1 GLU A 81 6.080 -5.788 16.346 1.00 25.35 O +ATOM 614 OE2 GLU A 81 7.169 -3.982 17.089 1.00 24.09 O +ATOM 615 N LEU A 82 6.410 -6.157 10.826 1.00 14.85 N +ATOM 616 CA LEU A 82 5.894 -7.196 9.940 1.00 17.68 C +ATOM 617 C LEU A 82 5.044 -8.139 10.810 1.00 21.87 C +ATOM 618 O LEU A 82 5.312 -8.365 11.987 1.00 23.22 O +ATOM 619 CB LEU A 82 7.036 -8.033 9.393 1.00 18.42 C +ATOM 620 CG LEU A 82 8.014 -7.304 8.481 1.00 17.87 C +ATOM 621 CD1 LEU A 82 9.156 -8.196 8.134 1.00 20.44 C +ATOM 622 CD2 LEU A 82 7.369 -6.837 7.330 1.00 21.70 C +ATOM 623 OXT LEU A 82 4.164 -8.746 10.255 1.00 29.03 O Added: SwiftApps/modFTdock/input/indata/1oxn-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1oxn-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1oxn-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,788 @@ +ATOM 1 N ALA A 71 -2.567 77.643 -18.391 1.00 70.98 N +ATOM 2 CA ALA A 71 -1.956 76.920 -17.237 1.00 70.96 C +ATOM 3 C ALA A 71 -2.480 77.433 -15.896 1.00 69.43 C +ATOM 4 O ALA A 71 -2.650 78.645 -15.705 1.00 72.31 O +ATOM 5 CB ALA A 71 -0.431 77.026 -17.288 1.00 71.72 C +ATOM 6 N GLY A 72 -2.758 76.500 -14.985 1.00 64.45 N +ATOM 7 CA GLY A 72 -3.066 76.828 -13.602 1.00 57.13 C +ATOM 8 C GLY A 72 -4.524 76.882 -13.172 1.00 48.71 C +ATOM 9 O GLY A 72 -5.278 77.779 -13.564 1.00 46.06 O +ATOM 10 N ALA A 73 -4.908 75.920 -12.334 1.00 41.67 N +ATOM 11 CA ALA A 73 -6.179 75.964 -11.621 1.00 33.30 C +ATOM 12 C ALA A 73 -6.146 77.120 -10.642 1.00 29.33 C +ATOM 13 O ALA A 73 -5.084 77.568 -10.245 1.00 26.84 O +ATOM 14 CB ALA A 73 -6.401 74.680 -10.874 1.00 29.87 C +ATOM 15 N THR A 74 -7.316 77.591 -10.251 1.00 31.35 N +ATOM 16 CA THR A 74 -7.428 78.676 -9.287 1.00 34.41 C +ATOM 17 C THR A 74 -7.970 78.172 -7.944 1.00 31.70 C +ATOM 18 O THR A 74 -8.893 77.344 -7.883 1.00 27.28 O +ATOM 19 CB THR A 74 -8.342 79.796 -9.855 1.00 37.50 C +ATOM 20 OG1 THR A 74 -7.889 80.159 -11.160 1.00 42.14 O +ATOM 21 CG2 THR A 74 -8.164 81.091 -9.080 1.00 42.39 C +ATOM 22 N LEU A 75 -7.383 78.693 -6.875 1.00 27.58 N +ATOM 23 CA LEU A 75 -7.902 78.534 -5.536 1.00 29.62 C +ATOM 24 C LEU A 75 -9.330 79.027 -5.514 1.00 30.04 C +ATOM 25 O LEU A 75 -9.614 80.128 -5.989 1.00 32.48 O +ATOM 26 CB LEU A 75 -7.070 79.371 -4.578 1.00 32.24 C +ATOM 27 CG LEU A 75 -6.639 78.781 -3.245 1.00 37.39 C +ATOM 28 CD1 LEU A 75 -5.946 77.457 -3.419 1.00 37.07 C +ATOM 29 CD2 LEU A 75 -5.713 79.764 -2.578 1.00 38.68 C +ATOM 30 N SER A 76 -10.232 78.205 -4.989 1.00 27.62 N +ATOM 31 CA SER A 76 -11.620 78.607 -4.846 1.00 31.25 C +ATOM 32 C SER A 76 -11.719 79.668 -3.770 1.00 29.29 C +ATOM 33 O SER A 76 -10.929 79.678 -2.826 1.00 28.69 O +ATOM 34 CB SER A 76 -12.507 77.413 -4.499 1.00 32.24 C +ATOM 35 OG SER A 76 -12.464 76.462 -5.542 1.00 36.45 O +ATOM 36 N ARG A 77 -12.692 80.557 -3.918 1.00 29.49 N +ATOM 37 CA ARG A 77 -12.823 81.703 -3.026 1.00 36.15 C +ATOM 38 C ARG A 77 -13.744 81.448 -1.838 1.00 35.12 C +ATOM 39 O ARG A 77 -13.746 82.216 -0.889 1.00 36.76 O +ATOM 40 CB ARG A 77 -13.294 82.933 -3.810 1.00 43.31 C +ATOM 41 CG ARG A 77 -12.240 83.503 -4.763 1.00 50.53 C +ATOM 42 CD ARG A 77 -12.644 84.809 -5.426 1.00 60.54 C +ATOM 43 NE ARG A 77 -12.183 85.968 -4.658 1.00 71.19 N +ATOM 44 CZ ARG A 77 -12.895 86.599 -3.717 1.00 76.88 C +ATOM 45 NH1 ARG A 77 -14.125 86.198 -3.410 1.00 76.43 N +ATOM 46 NH2 ARG A 77 -12.371 87.644 -3.080 1.00 79.41 N +ATOM 47 N GLY A 78 -14.520 80.369 -1.888 1.00 35.35 N +ATOM 48 CA GLY A 78 -15.494 80.092 -0.848 1.00 33.49 C +ATOM 49 C GLY A 78 -14.838 79.602 0.425 1.00 33.74 C +ATOM 50 O GLY A 78 -14.029 78.684 0.372 1.00 34.99 O +ATOM 51 N PRO A 79 -15.158 80.218 1.566 1.00 34.11 N +ATOM 52 CA PRO A 79 -14.691 79.712 2.863 1.00 32.27 C +ATOM 53 C PRO A 79 -15.149 78.273 3.081 1.00 27.81 C +ATOM 54 O PRO A 79 -16.254 77.918 2.663 1.00 27.74 O +ATOM 55 CB PRO A 79 -15.374 80.647 3.866 1.00 33.50 C +ATOM 56 CG PRO A 79 -15.585 81.917 3.092 1.00 34.22 C +ATOM 57 CD PRO A 79 -15.958 81.448 1.711 1.00 34.18 C +ATOM 58 N ALA A 80 -14.308 77.456 3.707 1.00 23.49 N +ATOM 59 CA ALA A 80 -14.680 76.085 4.033 1.00 26.44 C +ATOM 60 C ALA A 80 -15.929 76.056 4.937 1.00 30.08 C +ATOM 61 O ALA A 80 -16.777 75.163 4.822 1.00 26.95 O +ATOM 62 CB ALA A 80 -13.545 75.389 4.695 1.00 24.02 C +ATOM 63 N PHE A 81 -16.035 77.054 5.812 1.00 26.72 N +ATOM 64 CA PHE A 81 -17.143 77.161 6.755 1.00 30.46 C +ATOM 65 C PHE A 81 -17.491 78.646 6.931 1.00 31.68 C +ATOM 66 O PHE A 81 -17.029 79.281 7.878 1.00 34.42 O +ATOM 67 CB PHE A 81 -16.738 76.519 8.087 1.00 30.95 C +ATOM 68 CG PHE A 81 -17.871 76.336 9.069 1.00 32.85 C +ATOM 69 CD1 PHE A 81 -19.160 76.775 8.787 1.00 31.27 C +ATOM 70 CD2 PHE A 81 -17.634 75.710 10.289 1.00 33.94 C +ATOM 71 CE1 PHE A 81 -20.186 76.603 9.703 1.00 32.36 C +ATOM 72 CE2 PHE A 81 -18.655 75.533 11.210 1.00 34.63 C +ATOM 73 CZ PHE A 81 -19.938 75.986 10.914 1.00 35.44 C +ATOM 74 N PRO A 82 -18.299 79.190 6.015 1.00 31.46 N +ATOM 75 CA PRO A 82 -18.622 80.627 5.996 1.00 30.38 C +ATOM 76 C PRO A 82 -19.232 81.162 7.292 1.00 34.43 C +ATOM 77 O PRO A 82 -18.969 82.315 7.625 1.00 34.35 O +ATOM 78 CB PRO A 82 -19.627 80.752 4.839 1.00 29.76 C +ATOM 79 CG PRO A 82 -19.337 79.569 3.962 1.00 31.45 C +ATOM 80 CD PRO A 82 -18.944 78.463 4.901 1.00 29.63 C +ATOM 81 N GLY A 83 -20.016 80.345 7.997 1.00 35.38 N +ATOM 82 CA GLY A 83 -20.616 80.739 9.263 1.00 37.33 C +ATOM 83 C GLY A 83 -19.581 81.088 10.320 1.00 37.94 C +ATOM 84 O GLY A 83 -19.761 82.019 11.115 1.00 41.84 O +ATOM 85 N MET A 84 -18.479 80.347 10.315 1.00 34.86 N +ATOM 86 CA MET A 84 -17.367 80.620 11.214 1.00 30.83 C +ATOM 87 C MET A 84 -16.475 81.743 10.670 1.00 30.57 C +ATOM 88 O MET A 84 -15.359 81.935 11.136 1.00 30.70 O +ATOM 89 CB MET A 84 -16.572 79.340 11.472 1.00 28.57 C +ATOM 90 CG MET A 84 -17.121 78.469 12.574 1.00 30.95 C +ATOM 91 SD MET A 84 -17.358 79.391 14.121 1.00 35.81 S +ATOM 92 CE MET A 84 -18.028 78.126 15.187 1.00 32.39 C +ATOM 93 N GLY A 85 -16.991 82.481 9.687 1.00 30.60 N +ATOM 94 CA GLY A 85 -16.331 83.658 9.150 1.00 35.22 C +ATOM 95 C GLY A 85 -16.239 84.811 10.135 1.00 39.50 C +ATOM 96 O GLY A 85 -15.500 85.766 9.911 1.00 38.91 O +ATOM 97 N SER A 86 -16.992 84.720 11.227 1.00 39.59 N +ATOM 98 CA SER A 86 -16.999 85.766 12.231 1.00 40.38 C +ATOM 99 C SER A 86 -16.066 85.405 13.369 1.00 38.80 C +ATOM 100 O SER A 86 -16.198 84.338 13.982 1.00 39.34 O +ATOM 101 CB SER A 86 -18.417 86.008 12.750 1.00 44.92 C +ATOM 102 OG SER A 86 -18.394 86.433 14.103 1.00 48.85 O +ATOM 103 N GLU A 87 -15.124 86.302 13.652 1.00 38.09 N +ATOM 104 CA GLU A 87 -14.213 86.118 14.776 1.00 37.63 C +ATOM 105 C GLU A 87 -14.977 85.925 16.077 1.00 30.20 C +ATOM 106 O GLU A 87 -14.633 85.061 16.874 1.00 30.58 O +ATOM 107 CB GLU A 87 -13.243 87.296 14.910 1.00 40.86 C +ATOM 108 CG GLU A 87 -12.054 86.975 15.805 1.00 44.46 C +ATOM 109 CD GLU A 87 -11.068 88.125 15.939 1.00 46.90 C +ATOM 110 OE1 GLU A 87 -10.847 88.858 14.948 1.00 47.39 O +ATOM 111 OE2 GLU A 87 -10.509 88.284 17.045 1.00 45.88 O +ATOM 112 N GLU A 88 -16.024 86.724 16.267 1.00 33.98 N +ATOM 113 CA GLU A 88 -16.874 86.643 17.449 1.00 38.81 C +ATOM 114 C GLU A 88 -17.456 85.237 17.600 1.00 35.39 C +ATOM 115 O GLU A 88 -17.398 84.645 18.676 1.00 36.70 O +ATOM 116 CB GLU A 88 -17.984 87.695 17.358 1.00 49.13 C +ATOM 117 CG GLU A 88 -18.984 87.657 18.503 1.00 58.94 C +ATOM 118 CD GLU A 88 -18.639 88.613 19.628 1.00 65.00 C +ATOM 119 OE1 GLU A 88 -17.474 89.074 19.706 1.00 68.24 O +ATOM 120 OE2 GLU A 88 -19.540 88.900 20.442 1.00 67.47 O +ATOM 121 N LEU A 89 -17.982 84.697 16.502 1.00 32.75 N +ATOM 122 CA LEU A 89 -18.523 83.344 16.498 1.00 32.00 C +ATOM 123 C LEU A 89 -17.421 82.309 16.683 1.00 32.16 C +ATOM 124 O LEU A 89 -17.608 81.317 17.389 1.00 33.07 O +ATOM 125 CB LEU A 89 -19.353 83.081 15.226 1.00 33.89 C +ATOM 126 CG LEU A 89 -20.566 84.005 14.980 1.00 33.41 C +ATOM 127 CD1 LEU A 89 -21.401 83.607 13.748 1.00 28.62 C +ATOM 128 CD2 LEU A 89 -21.453 84.107 16.214 1.00 34.54 C +ATOM 129 N ARG A 90 -16.259 82.548 16.078 1.00 31.25 N +ATOM 130 CA ARG A 90 -15.125 81.645 16.266 1.00 30.74 C +ATOM 131 C ARG A 90 -14.713 81.610 17.732 1.00 27.65 C +ATOM 132 O ARG A 90 -14.409 80.556 18.275 1.00 31.09 O +ATOM 133 CB ARG A 90 -13.945 82.080 15.404 1.00 32.48 C +ATOM 134 CG ARG A 90 -14.105 81.726 13.943 1.00 35.39 C +ATOM 135 CD ARG A 90 -12.806 81.734 13.159 1.00 34.13 C +ATOM 136 NE ARG A 90 -12.119 83.022 13.211 1.00 30.94 N +ATOM 137 CZ ARG A 90 -12.401 84.070 12.445 1.00 36.68 C +ATOM 138 NH1 ARG A 90 -13.386 84.024 11.555 1.00 34.30 N +ATOM 139 NH2 ARG A 90 -11.700 85.189 12.585 1.00 38.83 N +ATOM 140 N LEU A 91 -14.711 82.779 18.366 1.00 31.36 N +ATOM 141 CA LEU A 91 -14.414 82.899 19.790 1.00 35.66 C +ATOM 142 C LEU A 91 -15.378 82.089 20.659 1.00 33.26 C +ATOM 143 O LEU A 91 -14.954 81.446 21.618 1.00 34.37 O +ATOM 144 CB LEU A 91 -14.438 84.373 20.208 1.00 42.03 C +ATOM 145 CG LEU A 91 -13.154 84.989 20.765 1.00 46.30 C +ATOM 146 CD1 LEU A 91 -13.513 86.097 21.744 1.00 48.34 C +ATOM 147 CD2 LEU A 91 -12.252 83.944 21.430 1.00 46.83 C +ATOM 148 N ALA A 92 -16.666 82.104 20.311 1.00 30.85 N +ATOM 149 CA ALA A 92 -17.660 81.323 21.049 1.00 30.54 C +ATOM 150 C ALA A 92 -17.346 79.825 21.037 1.00 32.69 C +ATOM 151 O ALA A 92 -17.597 79.130 22.024 1.00 31.25 O +ATOM 152 CB ALA A 92 -19.074 81.587 20.511 1.00 31.59 C +ATOM 153 N SER A 93 -16.788 79.329 19.930 1.00 33.39 N +ATOM 154 CA SER A 93 -16.453 77.902 19.821 1.00 34.97 C +ATOM 155 C SER A 93 -15.445 77.440 20.884 1.00 34.14 C +ATOM 156 O SER A 93 -15.371 76.253 21.220 1.00 35.94 O +ATOM 157 CB SER A 93 -15.953 77.557 18.407 1.00 32.44 C +ATOM 158 OG SER A 93 -14.727 78.222 18.113 1.00 33.95 O +ATOM 159 N PHE A 94 -14.687 78.390 21.416 1.00 35.68 N +ATOM 160 CA PHE A 94 -13.657 78.099 22.407 1.00 41.01 C +ATOM 161 C PHE A 94 -14.182 78.148 23.844 1.00 45.77 C +ATOM 162 O PHE A 94 -13.398 78.241 24.793 1.00 46.07 O +ATOM 163 CB PHE A 94 -12.494 79.078 22.242 1.00 40.20 C +ATOM 164 CG PHE A 94 -11.698 78.869 20.985 1.00 37.27 C +ATOM 165 CD1 PHE A 94 -10.708 77.900 20.928 1.00 36.85 C +ATOM 166 CD2 PHE A 94 -11.937 79.652 19.859 1.00 35.66 C +ATOM 167 CE1 PHE A 94 -9.971 77.713 19.769 1.00 36.25 C +ATOM 168 CE2 PHE A 94 -11.211 79.465 18.695 1.00 37.36 C +ATOM 169 CZ PHE A 94 -10.224 78.489 18.650 1.00 34.50 C +ATOM 170 N TYR A 95 -15.504 78.078 23.998 1.00 45.55 N +ATOM 171 CA TYR A 95 -16.137 78.073 25.319 1.00 48.20 C +ATOM 172 C TYR A 95 -15.643 76.919 26.203 1.00 46.47 C +ATOM 173 O TYR A 95 -15.665 77.011 27.428 1.00 51.71 O +ATOM 174 CB TYR A 95 -17.670 78.034 25.187 1.00 44.84 C +ATOM 175 CG TYR A 95 -18.237 76.639 25.044 1.00 44.57 C +ATOM 176 CD1 TYR A 95 -18.085 75.923 23.854 1.00 43.76 C +ATOM 177 CD2 TYR A 95 -18.909 76.026 26.102 1.00 45.12 C +ATOM 178 CE1 TYR A 95 -18.593 74.641 23.715 1.00 44.32 C +ATOM 179 CE2 TYR A 95 -19.418 74.742 25.974 1.00 46.28 C +ATOM 180 CZ TYR A 95 -19.257 74.055 24.780 1.00 45.87 C +ATOM 181 OH TYR A 95 -19.765 72.786 24.643 1.00 47.07 O +ATOM 182 N ASP A 96 -15.211 75.835 25.574 1.00 42.87 N +ATOM 183 CA ASP A 96 -14.718 74.670 26.298 1.00 44.31 C +ATOM 184 C ASP A 96 -13.264 74.352 25.910 1.00 43.83 C +ATOM 185 O ASP A 96 -12.812 73.205 26.035 1.00 47.33 O +ATOM 186 CB ASP A 96 -15.632 73.471 26.035 1.00 41.63 C +ATOM 187 CG ASP A 96 -15.633 73.050 24.576 1.00 43.38 C +ATOM 188 OD1 ASP A 96 -15.247 73.870 23.715 1.00 44.84 O +ATOM 189 OD2 ASP A 96 -15.998 71.923 24.192 1.00 43.82 O +ATOM 190 N TRP A 97 -12.555 75.370 25.420 1.00 46.23 N +ATOM 191 CA TRP A 97 -11.128 75.279 25.120 1.00 52.83 C +ATOM 192 C TRP A 97 -10.366 74.915 26.403 1.00 57.85 C +ATOM 193 O TRP A 97 -10.373 75.685 27.372 1.00 58.09 O +ATOM 194 CB TRP A 97 -10.627 76.603 24.530 1.00 51.94 C +ATOM 195 CG TRP A 97 -9.198 76.578 24.066 1.00 53.90 C +ATOM 196 CD1 TRP A 97 -8.152 77.270 24.607 1.00 53.73 C +ATOM 197 CD2 TRP A 97 -8.654 75.827 22.969 1.00 53.07 C +ATOM 198 NE1 TRP A 97 -6.994 76.999 23.919 1.00 52.58 N +ATOM 199 CE2 TRP A 97 -7.271 76.118 22.906 1.00 53.17 C +ATOM 200 CE3 TRP A 97 -9.194 74.935 22.032 1.00 49.20 C +ATOM 201 CZ2 TRP A 97 -6.422 75.548 21.944 1.00 53.10 C +ATOM 202 CZ3 TRP A 97 -8.355 74.377 21.074 1.00 49.84 C +ATOM 203 CH2 TRP A 97 -6.981 74.688 21.038 1.00 53.16 C +ATOM 204 N PRO A 98 -9.719 73.745 26.397 1.00 60.65 N +ATOM 205 CA PRO A 98 -9.240 73.089 27.625 1.00 63.94 C +ATOM 206 C PRO A 98 -8.298 73.906 28.506 1.00 67.17 C +ATOM 207 O PRO A 98 -7.558 74.765 28.020 1.00 64.18 O +ATOM 208 CB PRO A 98 -8.503 71.853 27.096 1.00 62.23 C +ATOM 209 CG PRO A 98 -9.097 71.604 25.774 1.00 61.30 C +ATOM 210 CD PRO A 98 -9.377 72.961 25.198 1.00 60.13 C +ATOM 211 N LEU A 99 -8.353 73.617 29.807 1.00 74.11 N +ATOM 212 CA LEU A 99 -7.484 74.228 30.810 1.00 78.75 C +ATOM 213 C LEU A 99 -6.011 73.917 30.527 1.00 80.45 C +ATOM 214 O LEU A 99 -5.153 74.798 30.642 1.00 79.58 O +ATOM 215 CB LEU A 99 -7.869 73.742 32.215 1.00 81.34 C +ATOM 216 CG LEU A 99 -9.305 73.971 32.715 1.00 82.79 C +ATOM 217 CD1 LEU A 99 -10.103 72.667 32.726 1.00 83.01 C +ATOM 218 CD2 LEU A 99 -9.311 74.619 34.099 1.00 82.88 C +ATOM 219 N THR A 100 -5.739 72.666 30.143 1.00 83.50 N +ATOM 220 CA THR A 100 -4.387 72.205 29.802 1.00 84.66 C +ATOM 221 C THR A 100 -3.860 72.802 28.494 1.00 86.12 C +ATOM 222 O THR A 100 -2.646 72.834 28.276 1.00 87.73 O +ATOM 223 CB THR A 100 -4.312 70.654 29.737 1.00 84.55 C +ATOM 224 OG1 THR A 100 -5.246 70.160 28.769 1.00 84.30 O +ATOM 225 CG2 THR A 100 -4.777 70.023 31.047 1.00 84.64 C +ATOM 226 N ALA A 101 -4.768 73.255 27.628 1.00 86.01 N +ATOM 227 CA ALA A 101 -4.394 73.944 26.392 1.00 84.83 C +ATOM 228 C ALA A 101 -3.648 75.233 26.720 1.00 83.44 C +ATOM 229 O ALA A 101 -4.021 75.961 27.642 1.00 83.35 O +ATOM 230 CB ALA A 101 -5.617 74.230 25.538 1.00 85.35 C +ATOM 231 N GLU A 102 -2.597 75.508 25.954 1.00 82.35 N +ATOM 232 CA GLU A 102 -1.614 76.519 26.337 1.00 80.68 C +ATOM 233 C GLU A 102 -1.638 77.791 25.483 1.00 74.41 C +ATOM 234 O GLU A 102 -0.763 78.654 25.621 1.00 73.05 O +ATOM 235 CB GLU A 102 -0.210 75.901 26.341 1.00 85.55 C +ATOM 236 CG GLU A 102 -0.057 74.664 27.220 1.00 89.66 C +ATOM 237 CD GLU A 102 0.888 73.627 26.633 1.00 92.11 C +ATOM 238 OE1 GLU A 102 2.100 73.919 26.518 1.00 92.38 O +ATOM 239 OE2 GLU A 102 0.420 72.517 26.293 1.00 92.98 O +ATOM 240 N VAL A 103 -2.643 77.906 24.617 1.00 67.22 N +ATOM 241 CA VAL A 103 -2.764 79.048 23.708 1.00 60.22 C +ATOM 242 C VAL A 103 -4.104 79.770 23.935 1.00 58.64 C +ATOM 243 O VAL A 103 -5.131 79.119 24.132 1.00 59.26 O +ATOM 244 CB VAL A 103 -2.566 78.599 22.225 1.00 56.90 C +ATOM 245 CG1 VAL A 103 -2.781 79.741 21.238 1.00 53.08 C +ATOM 246 CG2 VAL A 103 -1.177 77.998 22.031 1.00 55.92 C +ATOM 247 N PRO A 104 -4.092 81.106 23.928 1.00 57.80 N +ATOM 248 CA PRO A 104 -5.307 81.894 24.169 1.00 57.52 C +ATOM 249 C PRO A 104 -6.289 81.857 22.994 1.00 57.91 C +ATOM 250 O PRO A 104 -5.899 82.195 21.868 1.00 57.70 O +ATOM 251 CB PRO A 104 -4.775 83.325 24.350 1.00 55.12 C +ATOM 252 CG PRO A 104 -3.299 83.192 24.476 1.00 58.42 C +ATOM 253 CD PRO A 104 -2.924 81.974 23.702 1.00 58.17 C +ATOM 254 N PRO A 105 -7.540 81.467 23.257 1.00 57.76 N +ATOM 255 CA PRO A 105 -8.581 81.417 22.222 1.00 54.54 C +ATOM 256 C PRO A 105 -8.643 82.672 21.364 1.00 52.71 C +ATOM 257 O PRO A 105 -8.816 82.553 20.149 1.00 51.25 O +ATOM 258 CB PRO A 105 -9.862 81.264 23.038 1.00 55.76 C +ATOM 259 CG PRO A 105 -9.437 80.498 24.223 1.00 56.61 C +ATOM 260 CD PRO A 105 -8.057 81.014 24.564 1.00 56.70 C +ATOM 261 N GLU A 106 -8.484 83.843 21.981 1.00 50.50 N +ATOM 262 CA GLU A 106 -8.522 85.116 21.262 1.00 49.70 C +ATOM 263 C GLU A 106 -7.515 85.155 20.125 1.00 48.03 C +ATOM 264 O GLU A 106 -7.802 85.700 19.066 1.00 52.33 O +ATOM 265 CB GLU A 106 -8.273 86.304 22.202 1.00 55.47 C +ATOM 266 CG GLU A 106 -9.206 86.374 23.403 1.00 59.02 C +ATOM 267 CD GLU A 106 -8.636 85.680 24.628 1.00 61.31 C +ATOM 268 OE1 GLU A 106 -8.446 84.442 24.588 1.00 58.30 O +ATOM 269 OE2 GLU A 106 -8.384 86.374 25.639 1.00 66.10 O +ATOM 270 N LEU A 107 -6.337 84.583 20.348 1.00 44.62 N +ATOM 271 CA LEU A 107 -5.300 84.551 19.320 1.00 45.09 C +ATOM 272 C LEU A 107 -5.674 83.555 18.233 1.00 40.60 C +ATOM 273 O LEU A 107 -5.458 83.802 17.047 1.00 39.88 O +ATOM 274 CB LEU A 107 -3.940 84.173 19.922 1.00 45.70 C +ATOM 275 CG LEU A 107 -3.159 85.204 20.744 1.00 48.51 C +ATOM 276 CD1 LEU A 107 -1.853 84.577 21.223 1.00 50.19 C +ATOM 277 CD2 LEU A 107 -2.880 86.478 19.956 1.00 48.73 C +ATOM 278 N LEU A 108 -6.233 82.427 18.656 1.00 39.74 N +ATOM 279 CA LEU A 108 -6.680 81.400 17.731 1.00 40.02 C +ATOM 280 C LEU A 108 -7.821 81.916 16.863 1.00 35.46 C +ATOM 281 O LEU A 108 -7.753 81.811 15.645 1.00 34.88 O +ATOM 282 CB LEU A 108 -7.080 80.134 18.482 1.00 37.07 C +ATOM 283 CG LEU A 108 -5.908 79.367 19.077 1.00 36.89 C +ATOM 284 CD1 LEU A 108 -6.368 78.581 20.275 1.00 36.79 C +ATOM 285 CD2 LEU A 108 -5.282 78.447 18.044 1.00 37.00 C +ATOM 286 N ALA A 109 -8.835 82.512 17.494 1.00 34.91 N +ATOM 287 CA ALA A 109 -9.992 83.057 16.781 1.00 34.52 C +ATOM 288 C ALA A 109 -9.585 84.175 15.843 1.00 35.41 C +ATOM 289 O ALA A 109 -10.105 84.292 14.728 1.00 33.48 O +ATOM 290 CB ALA A 109 -11.057 83.543 17.760 1.00 34.67 C +ATOM 291 N ALA A 110 -8.640 84.993 16.293 1.00 37.22 N +ATOM 292 CA ALA A 110 -8.129 86.069 15.458 1.00 36.78 C +ATOM 293 C ALA A 110 -7.453 85.495 14.217 1.00 32.95 C +ATOM 294 O ALA A 110 -7.616 86.028 13.123 1.00 34.07 O +ATOM 295 CB ALA A 110 -7.169 86.968 16.246 1.00 37.54 C +ATOM 296 N ALA A 111 -6.714 84.399 14.397 1.00 34.22 N +ATOM 297 CA ALA A 111 -6.001 83.756 13.286 1.00 36.51 C +ATOM 298 C ALA A 111 -6.903 82.871 12.396 1.00 37.40 C +ATOM 299 O ALA A 111 -6.404 82.133 11.544 1.00 35.15 O +ATOM 300 CB ALA A 111 -4.792 82.973 13.800 1.00 31.04 C +ATOM 301 N GLY A 112 -8.219 82.958 12.600 1.00 34.37 N +ATOM 302 CA GLY A 112 -9.189 82.317 11.726 1.00 33.29 C +ATOM 303 C GLY A 112 -9.620 80.946 12.199 1.00 32.87 C +ATOM 304 O GLY A 112 -10.452 80.298 11.568 1.00 29.47 O +ATOM 305 N PHE A 113 -9.057 80.503 13.316 1.00 30.73 N +ATOM 306 CA PHE A 113 -9.341 79.181 13.811 1.00 29.63 C +ATOM 307 C PHE A 113 -10.559 79.191 14.707 1.00 32.18 C +ATOM 308 O PHE A 113 -10.809 80.154 15.446 1.00 30.40 O +ATOM 309 CB PHE A 113 -8.161 78.628 14.589 1.00 29.73 C +ATOM 310 CG PHE A 113 -6.933 78.429 13.766 1.00 32.97 C +ATOM 311 CD1 PHE A 113 -6.898 77.458 12.771 1.00 29.93 C +ATOM 312 CD2 PHE A 113 -5.798 79.211 13.999 1.00 32.92 C +ATOM 313 CE1 PHE A 113 -5.748 77.270 12.016 1.00 33.16 C +ATOM 314 CE2 PHE A 113 -4.653 79.031 13.257 1.00 34.46 C +ATOM 315 CZ PHE A 113 -4.627 78.059 12.258 1.00 32.05 C +ATOM 316 N PHE A 114 -11.305 78.098 14.640 1.00 26.70 N +ATOM 317 CA PHE A 114 -12.390 77.854 15.567 1.00 26.98 C +ATOM 318 C PHE A 114 -12.148 76.475 16.134 1.00 29.80 C +ATOM 319 O PHE A 114 -11.497 75.648 15.508 1.00 28.96 O +ATOM 320 CB PHE A 114 -13.760 77.957 14.874 1.00 28.70 C +ATOM 321 CG PHE A 114 -14.008 76.896 13.834 1.00 31.12 C +ATOM 322 CD1 PHE A 114 -13.576 77.066 12.531 1.00 29.97 C +ATOM 323 CD2 PHE A 114 -14.682 75.731 14.162 1.00 32.87 C +ATOM 324 CE1 PHE A 114 -13.800 76.089 11.580 1.00 27.14 C +ATOM 325 CE2 PHE A 114 -14.915 74.761 13.210 1.00 30.94 C +ATOM 326 CZ PHE A 114 -14.467 74.941 11.921 1.00 30.24 C +ATOM 327 N HIS A 115 -12.671 76.243 17.326 1.00 31.85 N +ATOM 328 CA HIS A 115 -12.467 75.004 18.048 1.00 32.29 C +ATOM 329 C HIS A 115 -13.460 73.937 17.589 1.00 33.06 C +ATOM 330 O HIS A 115 -14.644 74.220 17.428 1.00 34.37 O +ATOM 331 CB HIS A 115 -12.639 75.302 19.545 1.00 32.40 C +ATOM 332 CG HIS A 115 -12.451 74.120 20.438 1.00 32.68 C +ATOM 333 ND1 HIS A 115 -13.199 73.931 21.580 1.00 36.25 N +ATOM 334 CD2 HIS A 115 -11.590 73.079 20.375 1.00 33.48 C +ATOM 335 CE1 HIS A 115 -12.816 72.815 22.174 1.00 37.61 C +ATOM 336 NE2 HIS A 115 -11.845 72.275 21.459 1.00 38.73 N +ATOM 337 N THR A 116 -12.963 72.724 17.350 1.00 37.95 N +ATOM 338 CA THR A 116 -13.809 71.560 17.068 1.00 42.93 C +ATOM 339 C THR A 116 -13.422 70.456 18.033 1.00 46.21 C +ATOM 340 O THR A 116 -12.273 70.393 18.477 1.00 47.19 O +ATOM 341 CB THR A 116 -13.604 71.004 15.641 1.00 43.08 C +ATOM 342 OG1 THR A 116 -12.250 70.560 15.495 1.00 45.65 O +ATOM 343 CG2 THR A 116 -13.749 72.071 14.586 1.00 44.77 C +ATOM 344 N GLY A 117 -14.366 69.563 18.318 1.00 47.97 N +ATOM 345 CA GLY A 117 -14.139 68.486 19.264 1.00 47.46 C +ATOM 346 C GLY A 117 -14.083 69.025 20.679 1.00 49.41 C +ATOM 347 O GLY A 117 -14.542 70.138 20.955 1.00 46.59 O +ATOM 348 N HIS A 118 -13.508 68.243 21.582 1.00 53.17 N +ATOM 349 CA HIS A 118 -13.476 68.633 22.984 1.00 58.26 C +ATOM 350 C HIS A 118 -12.055 68.742 23.534 1.00 58.80 C +ATOM 351 O HIS A 118 -11.850 69.290 24.623 1.00 58.80 O +ATOM 352 CB HIS A 118 -14.365 67.705 23.823 1.00 62.88 C +ATOM 353 CG HIS A 118 -15.834 67.890 23.568 1.00 66.09 C +ATOM 354 ND1 HIS A 118 -16.547 68.964 24.059 1.00 67.10 N +ATOM 355 CD2 HIS A 118 -16.718 67.144 22.863 1.00 67.14 C +ATOM 356 CE1 HIS A 118 -17.808 68.866 23.677 1.00 66.56 C +ATOM 357 NE2 HIS A 118 -17.938 67.772 22.949 1.00 66.94 N +ATOM 358 N GLN A 119 -11.084 68.240 22.765 1.00 58.04 N +ATOM 359 CA GLN A 119 -9.665 68.425 23.068 1.00 53.70 C +ATOM 360 C GLN A 119 -9.210 69.794 22.573 1.00 48.68 C +ATOM 361 O GLN A 119 -9.894 70.801 22.768 1.00 46.10 O +ATOM 362 CB GLN A 119 -8.815 67.331 22.419 1.00 58.85 C +ATOM 363 CG GLN A 119 -8.954 65.957 23.035 1.00 66.25 C +ATOM 364 CD GLN A 119 -9.203 64.887 21.989 1.00 71.26 C +ATOM 365 OE1 GLN A 119 -8.301 64.535 21.221 1.00 73.15 O +ATOM 366 NE2 GLN A 119 -10.430 64.373 21.949 1.00 72.95 N +ATOM 367 N ASP A 120 -8.060 69.836 21.912 1.00 45.23 N +ATOM 368 CA ASP A 120 -7.513 71.113 21.481 1.00 46.23 C +ATOM 369 C ASP A 120 -7.405 71.273 19.961 1.00 44.29 C +ATOM 370 O ASP A 120 -6.598 72.062 19.471 1.00 42.43 O +ATOM 371 CB ASP A 120 -6.177 71.392 22.187 1.00 48.04 C +ATOM 372 CG ASP A 120 -5.007 70.642 21.567 1.00 51.84 C +ATOM 373 OD1 ASP A 120 -5.159 69.455 21.167 1.00 50.78 O +ATOM 374 OD2 ASP A 120 -3.891 71.186 21.445 1.00 52.27 O +ATOM 375 N LYS A 121 -8.242 70.548 19.223 1.00 42.73 N +ATOM 376 CA LYS A 121 -8.244 70.648 17.760 1.00 38.31 C +ATOM 377 C LYS A 121 -8.943 71.911 17.294 1.00 36.46 C +ATOM 378 O LYS A 121 -9.973 72.294 17.841 1.00 36.15 O +ATOM 379 CB LYS A 121 -8.892 69.420 17.114 1.00 38.04 C +ATOM 380 CG LYS A 121 -8.346 68.117 17.629 1.00 35.64 C +ATOM 381 CD LYS A 121 -8.808 66.939 16.810 1.00 37.46 C +ATOM 382 CE LYS A 121 -8.008 65.720 17.204 1.00 40.39 C +ATOM 383 NZ LYS A 121 -8.856 64.513 17.303 1.00 48.21 N +ATOM 384 N VAL A 122 -8.351 72.571 16.300 1.00 36.30 N +ATOM 385 CA VAL A 122 -8.949 73.736 15.666 1.00 30.60 C +ATOM 386 C VAL A 122 -8.906 73.543 14.156 1.00 31.65 C +ATOM 387 O VAL A 122 -8.166 72.699 13.639 1.00 30.24 O +ATOM 388 CB VAL A 122 -8.260 75.095 16.058 1.00 33.69 C +ATOM 389 CG1 VAL A 122 -8.443 75.395 17.523 1.00 36.74 C +ATOM 390 CG2 VAL A 122 -6.779 75.128 15.684 1.00 29.99 C +ATOM 391 N ARG A 123 -9.738 74.296 13.455 1.00 27.71 N +ATOM 392 CA ARG A 123 -9.717 74.305 12.002 1.00 32.07 C +ATOM 393 C ARG A 123 -9.877 75.751 11.604 1.00 28.73 C +ATOM 394 O ARG A 123 -10.527 76.521 12.313 1.00 27.88 O +ATOM 395 CB ARG A 123 -10.814 73.396 11.409 1.00 32.21 C +ATOM 396 CG ARG A 123 -10.895 72.056 12.124 1.00 33.29 C +ATOM 397 CD ARG A 123 -10.979 70.782 11.287 1.00 35.00 C +ATOM 398 NE ARG A 123 -10.056 70.721 10.169 1.00 33.37 N +ATOM 399 CZ ARG A 123 -9.555 69.596 9.663 1.00 30.32 C +ATOM 400 NH1 ARG A 123 -9.846 68.414 10.196 1.00 24.60 N +ATOM 401 NH2 ARG A 123 -8.740 69.656 8.616 1.00 24.09 N +ATOM 402 N CYS A 124 -9.225 76.147 10.520 1.00 24.39 N +ATOM 403 CA CYS A 124 -9.455 77.475 9.994 1.00 25.75 C +ATOM 404 C CYS A 124 -10.779 77.484 9.243 1.00 28.05 C +ATOM 405 O CYS A 124 -11.078 76.564 8.471 1.00 23.32 O +ATOM 406 CB CYS A 124 -8.322 77.922 9.081 1.00 19.46 C +ATOM 407 SG CYS A 124 -8.707 79.424 8.180 1.00 27.80 S +ATOM 408 N PHE A 125 -11.553 78.540 9.467 1.00 29.00 N +ATOM 409 CA PHE A 125 -12.876 78.670 8.881 1.00 26.30 C +ATOM 410 C PHE A 125 -12.791 78.776 7.376 1.00 29.17 C +ATOM 411 O PHE A 125 -13.755 78.469 6.673 1.00 26.53 O +ATOM 412 CB PHE A 125 -13.591 79.893 9.440 1.00 24.61 C +ATOM 413 CG PHE A 125 -13.276 81.170 8.713 1.00 26.22 C +ATOM 414 CD1 PHE A 125 -12.191 81.959 9.104 1.00 28.53 C +ATOM 415 CD2 PHE A 125 -14.051 81.581 7.640 1.00 23.99 C +ATOM 416 CE1 PHE A 125 -11.887 83.134 8.438 1.00 28.38 C +ATOM 417 CE2 PHE A 125 -13.751 82.763 6.949 1.00 27.35 C +ATOM 418 CZ PHE A 125 -12.671 83.545 7.351 1.00 28.48 C +ATOM 419 N PHE A 126 -11.649 79.246 6.883 1.00 30.52 N +ATOM 420 CA PHE A 126 -11.506 79.460 5.454 1.00 29.40 C +ATOM 421 C PHE A 126 -10.880 78.279 4.737 1.00 28.61 C +ATOM 422 O PHE A 126 -11.501 77.715 3.844 1.00 26.27 O +ATOM 423 CB PHE A 126 -10.729 80.727 5.124 1.00 30.93 C +ATOM 424 CG PHE A 126 -10.888 81.139 3.700 1.00 31.85 C +ATOM 425 CD1 PHE A 126 -10.107 80.556 2.709 1.00 31.12 C +ATOM 426 CD2 PHE A 126 -11.865 82.069 3.340 1.00 34.18 C +ATOM 427 CE1 PHE A 126 -10.274 80.901 1.392 1.00 35.16 C +ATOM 428 CE2 PHE A 126 -12.046 82.430 2.016 1.00 34.87 C +ATOM 429 CZ PHE A 126 -11.249 81.843 1.035 1.00 37.73 C +ATOM 430 N CYS A 127 -9.647 77.935 5.111 1.00 23.66 N +ATOM 431 CA CYS A 127 -8.908 76.884 4.416 1.00 28.62 C +ATOM 432 C CYS A 127 -9.162 75.509 5.039 1.00 27.85 C +ATOM 433 O CYS A 127 -8.761 74.490 4.480 1.00 26.05 O +ATOM 434 CB CYS A 127 -7.402 77.190 4.422 1.00 23.97 C +ATOM 435 SG CYS A 127 -6.647 77.031 6.058 1.00 26.83 S +ATOM 436 N TYR A 128 -9.811 75.493 6.204 1.00 26.58 N +ATOM 437 CA TYR A 128 -10.073 74.254 6.949 1.00 25.54 C +ATOM 438 C TYR A 128 -8.831 73.504 7.422 1.00 25.87 C +ATOM 439 O TYR A 128 -8.889 72.313 7.781 1.00 24.79 O +ATOM 440 CB TYR A 128 -10.985 73.315 6.164 1.00 24.60 C +ATOM 441 CG TYR A 128 -11.893 72.557 7.085 1.00 24.46 C +ATOM 442 CD1 TYR A 128 -12.789 73.226 7.908 1.00 22.43 C +ATOM 443 CD2 TYR A 128 -11.829 71.171 7.157 1.00 25.81 C +ATOM 444 CE1 TYR A 128 -13.622 72.519 8.779 1.00 28.39 C +ATOM 445 CE2 TYR A 128 -12.640 70.460 8.022 1.00 28.09 C +ATOM 446 CZ TYR A 128 -13.536 71.137 8.819 1.00 27.55 C +ATOM 447 OH TYR A 128 -14.336 70.421 9.661 1.00 33.56 O +ATOM 448 N GLY A 129 -7.700 74.202 7.433 1.00 29.05 N +ATOM 449 CA GLY A 129 -6.503 73.649 8.034 1.00 22.65 C +ATOM 450 C GLY A 129 -6.787 73.251 9.464 1.00 22.93 C +ATOM 451 O GLY A 129 -7.291 74.053 10.230 1.00 24.43 O +ATOM 452 N GLY A 130 -6.500 72.001 9.804 1.00 25.38 N +ATOM 453 CA GLY A 130 -6.718 71.498 11.139 1.00 27.58 C +ATOM 454 C GLY A 130 -5.421 71.391 11.919 1.00 34.75 C +ATOM 455 O GLY A 130 -4.423 70.818 11.444 1.00 33.79 O +ATOM 456 N LEU A 131 -5.439 71.945 13.127 1.00 34.57 N +ATOM 457 CA LEU A 131 -4.275 71.906 14.003 1.00 34.44 C +ATOM 458 C LEU A 131 -4.666 71.557 15.428 1.00 38.36 C +ATOM 459 O LEU A 131 -5.754 71.923 15.903 1.00 38.73 O +ATOM 460 CB LEU A 131 -3.536 73.246 13.986 1.00 27.59 C +ATOM 461 CG LEU A 131 -2.809 73.638 12.697 1.00 26.63 C +ATOM 462 CD1 LEU A 131 -2.400 75.100 12.756 1.00 24.84 C +ATOM 463 CD2 LEU A 131 -1.596 72.749 12.474 1.00 30.71 C +ATOM 464 N GLN A 132 -3.767 70.845 16.097 1.00 37.63 N +ATOM 465 CA GLN A 132 -3.939 70.461 17.494 1.00 40.41 C +ATOM 466 C GLN A 132 -2.579 70.507 18.199 1.00 41.99 C +ATOM 467 O GLN A 132 -1.614 71.039 17.644 1.00 41.32 O +ATOM 468 CB GLN A 132 -4.557 69.072 17.585 1.00 40.69 C +ATOM 469 CG GLN A 132 -3.672 67.964 17.045 1.00 42.18 C +ATOM 470 CD GLN A 132 -4.437 66.704 16.798 1.00 46.05 C +ATOM 471 OE1 GLN A 132 -5.001 66.523 15.725 1.00 53.16 O +ATOM 472 NE2 GLN A 132 -4.472 65.826 17.786 1.00 49.03 N +ATOM 473 N SER A 133 -2.515 69.955 19.411 1.00 46.55 N +ATOM 474 CA SER A 133 -1.282 69.897 20.218 1.00 48.01 C +ATOM 475 C SER A 133 -0.634 71.264 20.394 1.00 47.53 C +ATOM 476 O SER A 133 0.583 71.417 20.264 1.00 52.74 O +ATOM 477 CB SER A 133 -0.285 68.875 19.654 1.00 48.36 C +ATOM 478 OG SER A 133 -0.962 67.718 19.189 1.00 51.63 O +ATOM 479 N TRP A 134 -1.471 72.249 20.695 1.00 46.74 N +ATOM 480 CA TRP A 134 -1.043 73.622 20.936 1.00 50.18 C +ATOM 481 C TRP A 134 -0.208 73.747 22.212 1.00 56.01 C +ATOM 482 O TRP A 134 -0.445 73.037 23.199 1.00 53.72 O +ATOM 483 CB TRP A 134 -2.265 74.539 20.990 1.00 47.69 C +ATOM 484 CG TRP A 134 -2.902 74.677 19.648 1.00 45.48 C +ATOM 485 CD1 TRP A 134 -3.908 73.908 19.133 1.00 43.20 C +ATOM 486 CD2 TRP A 134 -2.548 75.614 18.622 1.00 43.34 C +ATOM 487 NE1 TRP A 134 -4.209 74.319 17.857 1.00 43.87 N +ATOM 488 CE2 TRP A 134 -3.393 75.368 17.518 1.00 42.54 C +ATOM 489 CE3 TRP A 134 -1.603 76.647 18.524 1.00 40.90 C +ATOM 490 CZ2 TRP A 134 -3.324 76.116 16.338 1.00 41.37 C +ATOM 491 CZ3 TRP A 134 -1.536 77.390 17.353 1.00 40.04 C +ATOM 492 CH2 TRP A 134 -2.390 77.119 16.274 1.00 40.30 C +ATOM 493 N LYS A 135 0.773 74.647 22.177 1.00 60.61 N +ATOM 494 CA LYS A 135 1.728 74.795 23.276 1.00 63.51 C +ATOM 495 C LYS A 135 2.087 76.253 23.548 1.00 62.60 C +ATOM 496 O LYS A 135 2.055 77.090 22.641 1.00 58.72 O +ATOM 497 CB LYS A 135 2.994 73.978 22.996 1.00 66.12 C +ATOM 498 CG LYS A 135 2.927 72.541 23.510 1.00 70.69 C +ATOM 499 CD LYS A 135 4.014 71.676 22.891 1.00 73.69 C +ATOM 500 CE LYS A 135 3.423 70.538 22.074 1.00 75.96 C +ATOM 501 NZ LYS A 135 4.327 70.144 20.956 1.00 77.76 N +ATOM 502 N ARG A 136 2.424 76.544 24.805 1.00 63.54 N +ATOM 503 CA ARG A 136 2.852 77.875 25.222 1.00 63.53 C +ATOM 504 C ARG A 136 3.816 78.451 24.197 1.00 59.10 C +ATOM 505 O ARG A 136 4.807 77.808 23.839 1.00 56.76 O +ATOM 506 CB ARG A 136 3.552 77.795 26.576 1.00 71.17 C +ATOM 507 CG ARG A 136 2.794 78.426 27.724 1.00 79.31 C +ATOM 508 CD ARG A 136 3.466 78.221 29.075 1.00 85.00 C +ATOM 509 NE ARG A 136 3.003 79.186 30.070 1.00 90.42 N +ATOM 510 CZ ARG A 136 3.802 79.915 30.845 1.00 93.48 C +ATOM 511 NH1 ARG A 136 5.124 79.799 30.754 1.00 94.14 N +ATOM 512 NH2 ARG A 136 3.277 80.764 31.717 1.00 94.58 N +ATOM 513 N GLY A 137 3.514 79.649 23.711 1.00 55.12 N +ATOM 514 CA GLY A 137 4.368 80.303 22.737 1.00 56.28 C +ATOM 515 C GLY A 137 3.937 80.124 21.292 1.00 56.31 C +ATOM 516 O GLY A 137 4.169 81.018 20.471 1.00 53.21 O +ATOM 517 N ASP A 138 3.318 78.979 20.979 1.00 56.95 N +ATOM 518 CA ASP A 138 2.803 78.710 19.632 1.00 54.57 C +ATOM 519 C ASP A 138 2.020 79.904 19.131 1.00 49.97 C +ATOM 520 O ASP A 138 1.067 80.342 19.773 1.00 54.96 O +ATOM 521 CB ASP A 138 1.885 77.486 19.619 1.00 56.63 C +ATOM 522 CG ASP A 138 2.642 76.178 19.580 1.00 55.70 C +ATOM 523 OD1 ASP A 138 3.878 76.186 19.397 1.00 54.34 O +ATOM 524 OD2 ASP A 138 2.067 75.080 19.730 1.00 58.05 O +ATOM 525 N ASP A 139 2.445 80.452 18.003 1.00 47.88 N +ATOM 526 CA ASP A 139 1.740 81.571 17.410 1.00 46.74 C +ATOM 527 C ASP A 139 0.777 81.060 16.332 1.00 47.34 C +ATOM 528 O ASP A 139 1.211 80.503 15.323 1.00 46.63 O +ATOM 529 CB ASP A 139 2.713 82.604 16.845 1.00 42.80 C +ATOM 530 CG ASP A 139 2.010 83.829 16.324 1.00 44.17 C +ATOM 531 OD1 ASP A 139 1.232 84.516 17.022 1.00 46.66 O +ATOM 532 OD2 ASP A 139 2.211 84.171 15.139 1.00 44.72 O +ATOM 533 N PRO A 140 -0.523 81.245 16.572 1.00 47.48 N +ATOM 534 CA PRO A 140 -1.574 80.796 15.652 1.00 44.82 C +ATOM 535 C PRO A 140 -1.365 81.315 14.240 1.00 42.23 C +ATOM 536 O PRO A 140 -1.405 80.515 13.310 1.00 43.66 O +ATOM 537 CB PRO A 140 -2.841 81.408 16.255 1.00 44.00 C +ATOM 538 CG PRO A 140 -2.541 81.506 17.701 1.00 46.21 C +ATOM 539 CD PRO A 140 -1.089 81.902 17.767 1.00 45.49 C +ATOM 540 N TRP A 141 -1.139 82.617 14.083 1.00 38.05 N +ATOM 541 CA TRP A 141 -0.889 83.192 12.768 1.00 40.30 C +ATOM 542 C TRP A 141 0.293 82.527 12.049 1.00 42.19 C +ATOM 543 O TRP A 141 0.263 82.335 10.826 1.00 39.54 O +ATOM 544 CB TRP A 141 -0.636 84.687 12.877 1.00 43.89 C +ATOM 545 CG TRP A 141 -1.861 85.553 12.764 1.00 47.31 C +ATOM 546 CD1 TRP A 141 -2.182 86.610 13.562 1.00 47.47 C +ATOM 547 CD2 TRP A 141 -2.909 85.460 11.785 1.00 45.68 C +ATOM 548 NE1 TRP A 141 -3.362 87.179 13.148 1.00 47.91 N +ATOM 549 CE2 TRP A 141 -3.832 86.494 12.060 1.00 44.44 C +ATOM 550 CE3 TRP A 141 -3.169 84.601 10.703 1.00 45.80 C +ATOM 551 CZ2 TRP A 141 -4.992 86.694 11.300 1.00 43.80 C +ATOM 552 CZ3 TRP A 141 -4.321 84.804 9.942 1.00 44.16 C +ATOM 553 CH2 TRP A 141 -5.217 85.843 10.250 1.00 43.45 C +ATOM 554 N THR A 142 1.322 82.177 12.820 1.00 40.37 N +ATOM 555 CA THR A 142 2.539 81.589 12.285 1.00 39.63 C +ATOM 556 C THR A 142 2.281 80.154 11.888 1.00 39.15 C +ATOM 557 O THR A 142 2.640 79.743 10.787 1.00 41.07 O +ATOM 558 CB THR A 142 3.685 81.669 13.329 1.00 40.80 C +ATOM 559 OG1 THR A 142 3.948 83.040 13.642 1.00 36.58 O +ATOM 560 CG2 THR A 142 5.008 81.182 12.742 1.00 38.14 C +ATOM 561 N GLU A 143 1.673 79.396 12.800 1.00 40.63 N +ATOM 562 CA GLU A 143 1.245 78.029 12.520 1.00 44.00 C +ATOM 563 C GLU A 143 0.370 77.983 11.268 1.00 41.45 C +ATOM 564 O GLU A 143 0.517 77.092 10.434 1.00 40.24 O +ATOM 565 CB GLU A 143 0.495 77.440 13.715 1.00 46.83 C +ATOM 566 CG GLU A 143 1.337 77.280 14.975 1.00 50.86 C +ATOM 567 CD GLU A 143 2.394 76.190 14.875 1.00 54.99 C +ATOM 568 OE1 GLU A 143 2.791 75.814 13.754 1.00 54.40 O +ATOM 569 OE2 GLU A 143 2.839 75.701 15.935 1.00 59.48 O +ATOM 570 N HIS A 144 -0.512 78.972 11.143 1.00 37.97 N +ATOM 571 CA HIS A 144 -1.352 79.146 9.967 1.00 38.05 C +ATOM 572 C HIS A 144 -0.519 79.231 8.694 1.00 38.83 C +ATOM 573 O HIS A 144 -0.806 78.528 7.714 1.00 36.06 O +ATOM 574 CB HIS A 144 -2.229 80.390 10.112 1.00 32.93 C +ATOM 575 CG HIS A 144 -3.575 80.258 9.476 1.00 37.97 C +ATOM 576 ND1 HIS A 144 -4.676 80.963 9.914 1.00 36.82 N +ATOM 577 CD2 HIS A 144 -4.000 79.509 8.429 1.00 37.03 C +ATOM 578 CE1 HIS A 144 -5.719 80.656 9.165 1.00 34.53 C +ATOM 579 NE2 HIS A 144 -5.337 79.773 8.261 1.00 38.88 N +ATOM 580 N ALA A 145 0.506 80.086 8.723 1.00 32.15 N +ATOM 581 CA ALA A 145 1.388 80.296 7.573 1.00 35.55 C +ATOM 582 C ALA A 145 2.281 79.093 7.312 1.00 34.87 C +ATOM 583 O ALA A 145 2.603 78.787 6.166 1.00 38.78 O +ATOM 584 CB ALA A 145 2.230 81.555 7.765 1.00 35.36 C +ATOM 585 N LYS A 146 2.673 78.419 8.385 1.00 35.16 N +ATOM 586 CA LYS A 146 3.521 77.245 8.296 1.00 39.39 C +ATOM 587 C LYS A 146 2.805 76.114 7.563 1.00 42.34 C +ATOM 588 O LYS A 146 3.373 75.486 6.668 1.00 45.06 O +ATOM 589 CB LYS A 146 3.949 76.809 9.702 1.00 40.77 C +ATOM 590 CG LYS A 146 4.541 75.407 9.803 1.00 47.02 C +ATOM 591 CD LYS A 146 4.996 75.104 11.238 1.00 53.23 C +ATOM 592 CE LYS A 146 5.888 73.860 11.301 1.00 56.92 C +ATOM 593 NZ LYS A 146 6.410 73.583 12.680 1.00 58.88 N +ATOM 594 N TRP A 147 1.551 75.869 7.932 1.00 39.23 N +ATOM 595 CA TRP A 147 0.852 74.689 7.447 1.00 35.31 C +ATOM 596 C TRP A 147 -0.047 74.919 6.242 1.00 30.86 C +ATOM 597 O TRP A 147 -0.191 74.039 5.415 1.00 30.96 O +ATOM 598 CB TRP A 147 0.072 74.046 8.583 1.00 35.69 C +ATOM 599 CG TRP A 147 0.974 73.529 9.652 1.00 36.36 C +ATOM 600 CD1 TRP A 147 1.207 74.097 10.868 1.00 32.45 C +ATOM 601 CD2 TRP A 147 1.785 72.351 9.594 1.00 35.97 C +ATOM 602 NE1 TRP A 147 2.098 73.334 11.580 1.00 36.66 N +ATOM 603 CE2 TRP A 147 2.475 72.257 10.823 1.00 37.13 C +ATOM 604 CE3 TRP A 147 2.004 71.361 8.625 1.00 36.63 C +ATOM 605 CZ2 TRP A 147 3.362 71.210 11.116 1.00 39.68 C +ATOM 606 CZ3 TRP A 147 2.885 70.314 8.915 1.00 40.29 C +ATOM 607 CH2 TRP A 147 3.558 70.253 10.151 1.00 42.93 C +ATOM 608 N PHE A 148 -0.626 76.107 6.140 1.00 31.03 N +ATOM 609 CA PHE A 148 -1.662 76.384 5.146 1.00 30.76 C +ATOM 610 C PHE A 148 -1.355 77.672 4.408 1.00 30.44 C +ATOM 611 O PHE A 148 -2.154 78.611 4.434 1.00 30.99 O +ATOM 612 CB PHE A 148 -3.029 76.447 5.851 1.00 27.95 C +ATOM 613 CG PHE A 148 -3.201 75.372 6.881 1.00 27.60 C +ATOM 614 CD1 PHE A 148 -3.173 74.029 6.509 1.00 23.80 C +ATOM 615 CD2 PHE A 148 -3.322 75.688 8.226 1.00 28.23 C +ATOM 616 CE1 PHE A 148 -3.290 73.013 7.464 1.00 25.50 C +ATOM 617 CE2 PHE A 148 -3.451 74.673 9.187 1.00 25.69 C +ATOM 618 CZ PHE A 148 -3.436 73.337 8.799 1.00 23.04 C +ATOM 619 N PRO A 149 -0.198 77.722 3.740 1.00 30.58 N +ATOM 620 CA PRO A 149 0.306 78.981 3.188 1.00 30.36 C +ATOM 621 C PRO A 149 -0.597 79.578 2.124 1.00 32.30 C +ATOM 622 O PRO A 149 -0.510 80.780 1.874 1.00 32.05 O +ATOM 623 CB PRO A 149 1.659 78.579 2.566 1.00 31.98 C +ATOM 624 CG PRO A 149 1.558 77.094 2.335 1.00 31.57 C +ATOM 625 CD PRO A 149 0.715 76.599 3.457 1.00 30.58 C +ATOM 626 N SER A 150 -1.447 78.769 1.496 1.00 32.65 N +ATOM 627 CA SER A 150 -2.289 79.311 0.435 1.00 31.93 C +ATOM 628 C SER A 150 -3.647 79.833 0.933 1.00 31.17 C +ATOM 629 O SER A 150 -4.427 80.389 0.157 1.00 31.38 O +ATOM 630 CB SER A 150 -2.429 78.320 -0.721 1.00 33.85 C +ATOM 631 OG SER A 150 -3.218 77.212 -0.336 1.00 44.21 O +ATOM 632 N CYS A 151 -3.906 79.696 2.231 1.00 30.36 N +ATOM 633 CA CYS A 151 -5.171 80.158 2.806 1.00 31.42 C +ATOM 634 C CYS A 151 -5.397 81.617 2.484 1.00 36.31 C +ATOM 635 O CYS A 151 -4.566 82.469 2.824 1.00 36.93 O +ATOM 636 CB CYS A 151 -5.200 79.982 4.321 1.00 28.57 C +ATOM 637 SG CYS A 151 -6.714 80.652 5.077 1.00 30.97 S +ATOM 638 N GLN A 152 -6.526 81.913 1.843 1.00 36.94 N +ATOM 639 CA GLN A 152 -6.794 83.288 1.441 1.00 39.05 C +ATOM 640 C GLN A 152 -7.106 84.184 2.635 1.00 41.62 C +ATOM 641 O GLN A 152 -6.878 85.395 2.571 1.00 40.98 O +ATOM 642 CB GLN A 152 -7.899 83.359 0.392 1.00 38.63 C +ATOM 643 CG GLN A 152 -7.441 82.898 -0.976 1.00 42.39 C +ATOM 644 CD GLN A 152 -8.559 82.264 -1.777 1.00 45.27 C +ATOM 645 OE1 GLN A 152 -9.182 82.924 -2.616 1.00 47.71 O +ATOM 646 NE2 GLN A 152 -8.818 80.986 -1.525 1.00 41.77 N +ATOM 647 N PHE A 153 -7.627 83.599 3.716 1.00 39.88 N +ATOM 648 CA PHE A 153 -7.870 84.379 4.924 1.00 39.23 C +ATOM 649 C PHE A 153 -6.550 84.823 5.542 1.00 37.01 C +ATOM 650 O PHE A 153 -6.393 85.977 5.921 1.00 34.00 O +ATOM 651 CB PHE A 153 -8.682 83.622 5.978 1.00 35.44 C +ATOM 652 CG PHE A 153 -8.844 84.393 7.251 1.00 35.56 C +ATOM 653 CD1 PHE A 153 -9.633 85.546 7.282 1.00 37.66 C +ATOM 654 CD2 PHE A 153 -8.171 84.010 8.405 1.00 35.77 C +ATOM 655 CE1 PHE A 153 -9.780 86.280 8.459 1.00 34.47 C +ATOM 656 CE2 PHE A 153 -8.306 84.738 9.574 1.00 35.13 C +ATOM 657 CZ PHE A 153 -9.111 85.874 9.606 1.00 34.48 C +ATOM 658 N LEU A 154 -5.620 83.882 5.648 1.00 37.02 N +ATOM 659 CA LEU A 154 -4.308 84.142 6.188 1.00 38.31 C +ATOM 660 C LEU A 154 -3.617 85.230 5.367 1.00 42.08 C +ATOM 661 O LEU A 154 -2.994 86.135 5.923 1.00 43.68 O +ATOM 662 CB LEU A 154 -3.490 82.851 6.178 1.00 36.63 C +ATOM 663 CG LEU A 154 -1.976 82.937 6.365 1.00 35.67 C +ATOM 664 CD1 LEU A 154 -1.624 83.408 7.764 1.00 38.83 C +ATOM 665 CD2 LEU A 154 -1.346 81.590 6.069 1.00 33.40 C +ATOM 666 N LEU A 155 -3.764 85.146 4.049 1.00 42.31 N +ATOM 667 CA LEU A 155 -3.072 86.045 3.132 1.00 44.63 C +ATOM 668 C LEU A 155 -3.629 87.469 3.131 1.00 46.70 C +ATOM 669 O LEU A 155 -2.862 88.431 3.074 1.00 46.95 O +ATOM 670 CB LEU A 155 -3.034 85.458 1.716 1.00 41.34 C +ATOM 671 CG LEU A 155 -1.884 84.459 1.506 1.00 45.26 C +ATOM 672 CD1 LEU A 155 -2.169 83.525 0.344 1.00 43.10 C +ATOM 673 CD2 LEU A 155 -0.553 85.176 1.302 1.00 43.72 C +ATOM 674 N ARG A 156 -4.952 87.597 3.199 1.00 48.17 N +ATOM 675 CA ARG A 156 -5.594 88.906 3.296 1.00 51.44 C +ATOM 676 C ARG A 156 -5.269 89.590 4.620 1.00 50.37 C +ATOM 677 O ARG A 156 -5.146 90.814 4.678 1.00 51.91 O +ATOM 678 CB ARG A 156 -7.111 88.779 3.148 1.00 58.49 C +ATOM 679 CG ARG A 156 -7.632 89.147 1.775 1.00 66.63 C +ATOM 680 CD ARG A 156 -8.306 87.994 1.044 1.00 74.75 C +ATOM 681 NE ARG A 156 -8.275 88.167 -0.408 1.00 81.45 N +ATOM 682 CZ ARG A 156 -9.275 88.661 -1.131 1.00 84.94 C +ATOM 683 NH1 ARG A 156 -10.409 89.036 -0.547 1.00 85.99 N +ATOM 684 NH2 ARG A 156 -9.143 88.780 -2.447 1.00 85.71 N +ATOM 685 N SER A 157 -5.120 88.786 5.670 1.00 46.39 N +ATOM 686 CA SER A 157 -4.949 89.287 7.024 1.00 46.87 C +ATOM 687 C SER A 157 -3.501 89.628 7.352 1.00 49.47 C +ATOM 688 O SER A 157 -3.240 90.613 8.047 1.00 47.89 O +ATOM 689 CB SER A 157 -5.470 88.265 8.033 1.00 45.05 C +ATOM 690 OG SER A 157 -6.845 87.990 7.824 1.00 43.60 O +ATOM 691 N LYS A 158 -2.570 88.814 6.856 1.00 51.06 N +ATOM 692 CA LYS A 158 -1.158 88.944 7.214 1.00 52.86 C +ATOM 693 C LYS A 158 -0.254 89.365 6.055 1.00 56.86 C +ATOM 694 O LYS A 158 0.882 89.806 6.278 1.00 57.98 O +ATOM 695 CB LYS A 158 -0.635 87.641 7.826 1.00 50.19 C +ATOM 696 CG LYS A 158 -1.283 87.237 9.144 1.00 50.66 C +ATOM 697 CD LYS A 158 -1.127 88.303 10.221 1.00 51.43 C +ATOM 698 CE LYS A 158 0.207 88.180 10.946 1.00 52.81 C +ATOM 699 NZ LYS A 158 0.483 89.383 11.781 1.00 52.82 N +ATOM 700 N GLY A 159 -0.749 89.214 4.828 1.00 56.07 N +ATOM 701 CA GLY A 159 0.001 89.604 3.646 1.00 54.10 C +ATOM 702 C GLY A 159 0.944 88.549 3.099 1.00 51.81 C +ATOM 703 O GLY A 159 1.349 87.618 3.800 1.00 49.51 O +ATOM 704 N ARG A 160 1.296 88.723 1.829 1.00 57.35 N +ATOM 705 CA ARG A 160 2.177 87.821 1.093 1.00 61.98 C +ATOM 706 C ARG A 160 3.561 87.696 1.730 1.00 62.06 C +ATOM 707 O ARG A 160 4.123 86.595 1.795 1.00 61.09 O +ATOM 708 CB ARG A 160 2.302 88.298 -0.358 1.00 68.30 C +ATOM 709 CG ARG A 160 2.334 87.186 -1.395 1.00 76.43 C +ATOM 710 CD ARG A 160 0.952 86.674 -1.838 1.00 82.70 C +ATOM 711 NE ARG A 160 1.047 85.604 -2.839 1.00 86.94 N +ATOM 712 CZ ARG A 160 1.365 84.333 -2.577 1.00 87.84 C +ATOM 713 NH1 ARG A 160 1.624 83.936 -1.335 1.00 86.74 N +ATOM 714 NH2 ARG A 160 1.425 83.453 -3.569 1.00 88.60 N +ATOM 715 N ASP A 161 4.094 88.823 2.204 1.00 62.10 N +ATOM 716 CA ASP A 161 5.424 88.863 2.818 1.00 62.25 C +ATOM 717 C ASP A 161 5.519 87.962 4.049 1.00 58.42 C +ATOM 718 O ASP A 161 6.446 87.149 4.155 1.00 58.35 O +ATOM 719 CB ASP A 161 5.830 90.301 3.181 1.00 64.66 C +ATOM 720 CG ASP A 161 6.042 91.188 1.961 1.00 68.82 C +ATOM 721 OD1 ASP A 161 6.103 90.671 0.824 1.00 69.82 O +ATOM 722 OD2 ASP A 161 6.163 92.429 2.047 1.00 71.16 O +ATOM 723 N PHE A 162 4.559 88.101 4.964 1.00 53.75 N +ATOM 724 CA PHE A 162 4.544 87.320 6.203 1.00 51.98 C +ATOM 725 C PHE A 162 4.573 85.813 5.964 1.00 50.85 C +ATOM 726 O PHE A 162 5.333 85.088 6.614 1.00 51.98 O +ATOM 727 CB PHE A 162 3.329 87.686 7.064 1.00 51.89 C +ATOM 728 CG PHE A 162 3.164 86.816 8.276 1.00 52.64 C +ATOM 729 CD1 PHE A 162 3.929 87.038 9.418 1.00 54.82 C +ATOM 730 CD2 PHE A 162 2.251 85.768 8.275 1.00 52.11 C +ATOM 731 CE1 PHE A 162 3.783 86.228 10.547 1.00 56.29 C +ATOM 732 CE2 PHE A 162 2.098 84.953 9.394 1.00 53.53 C +ATOM 733 CZ PHE A 162 2.865 85.182 10.532 1.00 56.07 C +ATOM 734 N VAL A 163 3.733 85.351 5.039 1.00 50.95 N +ATOM 735 CA VAL A 163 3.589 83.923 4.753 1.00 51.30 C +ATOM 736 C VAL A 163 4.886 83.369 4.171 1.00 53.54 C +ATOM 737 O VAL A 163 5.388 82.337 4.633 1.00 51.29 O +ATOM 738 CB VAL A 163 2.384 83.639 3.803 1.00 48.81 C +ATOM 739 CG1 VAL A 163 2.251 82.155 3.518 1.00 45.45 C +ATOM 740 CG2 VAL A 163 1.091 84.166 4.404 1.00 48.78 C +ATOM 741 N HIS A 164 5.424 84.070 3.171 1.00 59.51 N +ATOM 742 CA HIS A 164 6.709 83.716 2.568 1.00 64.75 C +ATOM 743 C HIS A 164 7.791 83.643 3.644 1.00 64.92 C +ATOM 744 O HIS A 164 8.600 82.716 3.648 1.00 63.89 O +ATOM 745 CB HIS A 164 7.097 84.711 1.466 1.00 70.59 C +ATOM 746 CG HIS A 164 8.233 84.247 0.602 1.00 76.69 C +ATOM 747 ND1 HIS A 164 9.541 84.622 0.825 1.00 78.26 N +ATOM 748 CD2 HIS A 164 8.255 83.437 -0.484 1.00 78.84 C +ATOM 749 CE1 HIS A 164 10.320 84.064 -0.086 1.00 79.50 C +ATOM 750 NE2 HIS A 164 9.564 83.340 -0.892 1.00 79.95 N +ATOM 751 N SER A 165 7.765 84.604 4.570 1.00 65.47 N +ATOM 752 CA SER A 165 8.715 84.670 5.682 1.00 66.16 C +ATOM 753 C SER A 165 8.650 83.443 6.598 1.00 66.32 C +ATOM 754 O SER A 165 9.673 83.015 7.140 1.00 69.60 O +ATOM 755 CB SER A 165 8.506 85.960 6.489 1.00 66.68 C +ATOM 756 OG SER A 165 9.036 85.853 7.801 1.00 68.40 O +ATOM 757 N VAL A 166 7.456 82.882 6.769 1.00 63.13 N +ATOM 758 CA VAL A 166 7.292 81.684 7.590 1.00 58.48 C +ATOM 759 C VAL A 166 7.655 80.426 6.798 1.00 57.75 C +ATOM 760 O VAL A 166 8.254 79.502 7.347 1.00 56.67 O +ATOM 761 CB VAL A 166 5.867 81.588 8.199 1.00 55.88 C +ATOM 762 CG1 VAL A 166 5.653 80.256 8.922 1.00 53.91 C +ATOM 763 CG2 VAL A 166 5.630 82.738 9.159 1.00 57.71 C +ATOM 764 N GLN A 167 7.304 80.398 5.512 1.00 61.91 N +ATOM 765 CA GLN A 167 7.614 79.252 4.645 1.00 65.53 C +ATOM 766 C GLN A 167 9.121 79.088 4.403 1.00 71.64 C +ATOM 767 O GLN A 167 9.631 77.963 4.364 1.00 71.48 O +ATOM 768 CB GLN A 167 6.876 79.353 3.304 1.00 62.83 C +ATOM 769 CG GLN A 167 5.385 78.991 3.349 1.00 62.10 C +ATOM 770 CD GLN A 167 5.131 77.518 3.641 1.00 61.02 C +ATOM 771 OE1 GLN A 167 5.548 76.646 2.877 1.00 61.08 O +ATOM 772 NE2 GLN A 167 4.442 77.240 4.744 1.00 58.58 N +ATOM 773 N GLU A 168 9.822 80.214 4.254 1.00 77.86 N +ATOM 774 CA GLU A 168 11.264 80.222 3.986 1.00 83.00 C +ATOM 775 C GLU A 168 12.119 79.875 5.211 1.00 83.43 C +ATOM 776 O GLU A 168 13.348 79.856 5.121 1.00 85.30 O +ATOM 777 CB GLU A 168 11.703 81.573 3.396 1.00 87.25 C +ATOM 778 CG GLU A 168 12.648 81.465 2.200 1.00 92.88 C +ATOM 779 CD GLU A 168 13.542 82.689 2.025 1.00 95.54 C +ATOM 780 OE1 GLU A 168 13.028 83.752 1.611 1.00 96.68 O +ATOM 781 OE2 GLU A 168 14.764 82.590 2.293 1.00 95.77 O +ATOM 782 N THR A 169 11.475 79.608 6.348 1.00 83.03 N +ATOM 783 CA THR A 169 12.186 79.174 7.555 1.00 83.45 C +ATOM 784 C THR A 169 11.752 77.776 8.006 1.00 84.40 C +ATOM 785 O THR A 169 10.893 77.129 7.399 1.00 84.84 O +ATOM 786 CB THR A 169 12.035 80.199 8.715 1.00 82.92 C +ATOM 787 OG1 THR A 169 10.651 80.369 9.041 1.00 83.73 O +ATOM 788 CG2 THR A 169 12.480 81.596 8.284 1.00 82.63 C Added: SwiftApps/modFTdock/input/indata/1oxn-2.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1oxn-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1oxn-2.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,804 @@ +ATOM 1 N ALA B 71 -47.698 88.452 10.247 1.00 76.61 N +ATOM 2 CA ALA B 71 -46.369 87.808 10.038 1.00 75.25 C +ATOM 3 C ALA B 71 -45.220 88.785 10.290 1.00 72.41 C +ATOM 4 O ALA B 71 -45.340 89.985 10.012 1.00 73.95 O +ATOM 5 CB ALA B 71 -46.277 87.210 8.628 1.00 75.88 C +ATOM 6 N GLY B 72 -44.114 88.260 10.817 1.00 65.90 N +ATOM 7 CA GLY B 72 -42.923 89.049 11.070 1.00 59.96 C +ATOM 8 C GLY B 72 -41.651 88.523 10.415 1.00 55.30 C +ATOM 9 O GLY B 72 -41.411 88.749 9.223 1.00 54.79 O +ATOM 10 N ALA B 73 -40.837 87.820 11.204 1.00 47.92 N +ATOM 11 CA ALA B 73 -39.521 87.349 10.775 1.00 36.69 C +ATOM 12 C ALA B 73 -39.628 86.396 9.598 1.00 32.21 C +ATOM 13 O ALA B 73 -40.673 85.803 9.343 1.00 30.69 O +ATOM 14 CB ALA B 73 -38.792 86.684 11.928 1.00 33.93 C +ATOM 15 N THR B 74 -38.534 86.244 8.881 1.00 30.46 N +ATOM 16 CA THR B 74 -38.534 85.395 7.708 1.00 32.51 C +ATOM 17 C THR B 74 -37.440 84.357 7.876 1.00 27.99 C +ATOM 18 O THR B 74 -36.378 84.656 8.403 1.00 25.53 O +ATOM 19 CB THR B 74 -38.315 86.281 6.448 1.00 38.20 C +ATOM 20 OG1 THR B 74 -39.568 86.864 6.055 1.00 39.22 O +ATOM 21 CG2 THR B 74 -37.913 85.458 5.234 1.00 41.95 C +ATOM 22 N LEU B 75 -37.730 83.137 7.449 1.00 29.01 N +ATOM 23 CA LEU B 75 -36.742 82.087 7.311 1.00 31.91 C +ATOM 24 C LEU B 75 -35.580 82.567 6.441 1.00 34.66 C +ATOM 25 O LEU B 75 -35.789 83.046 5.318 1.00 36.74 O +ATOM 26 CB LEU B 75 -37.397 80.896 6.618 1.00 30.08 C +ATOM 27 CG LEU B 75 -37.414 79.487 7.193 1.00 34.67 C +ATOM 28 CD1 LEU B 75 -37.360 79.436 8.717 1.00 31.88 C +ATOM 29 CD2 LEU B 75 -38.661 78.796 6.686 1.00 34.53 C +ATOM 30 N SER B 76 -34.364 82.444 6.960 1.00 29.03 N +ATOM 31 CA SER B 76 -33.168 82.646 6.149 1.00 29.73 C +ATOM 32 C SER B 76 -33.046 81.567 5.074 1.00 29.47 C +ATOM 33 O SER B 76 -33.458 80.423 5.282 1.00 25.39 O +ATOM 34 CB SER B 76 -31.936 82.672 7.045 1.00 26.85 C +ATOM 35 OG SER B 76 -32.017 83.795 7.913 1.00 30.23 O +ATOM 36 N ARG B 77 -32.462 81.934 3.935 1.00 30.62 N +ATOM 37 CA ARG B 77 -32.410 81.059 2.761 1.00 36.93 C +ATOM 38 C ARG B 77 -31.168 80.170 2.684 1.00 33.70 C +ATOM 39 O ARG B 77 -31.159 79.186 1.945 1.00 32.48 O +ATOM 40 CB ARG B 77 -32.567 81.872 1.465 1.00 42.93 C +ATOM 41 CG ARG B 77 -34.023 82.204 1.135 1.00 53.76 C +ATOM 42 CD ARG B 77 -34.257 82.689 -0.291 1.00 63.83 C +ATOM 43 NE ARG B 77 -35.491 82.136 -0.851 1.00 69.95 N +ATOM 44 CZ ARG B 77 -35.576 81.501 -2.016 1.00 74.15 C +ATOM 45 NH1 ARG B 77 -34.498 81.328 -2.773 1.00 75.60 N +ATOM 46 NH2 ARG B 77 -36.748 81.034 -2.430 1.00 75.43 N +ATOM 47 N GLY B 78 -30.135 80.514 3.448 1.00 31.77 N +ATOM 48 CA GLY B 78 -28.879 79.779 3.422 1.00 30.89 C +ATOM 49 C GLY B 78 -28.983 78.416 4.102 1.00 28.90 C +ATOM 50 O GLY B 78 -29.451 78.329 5.240 1.00 25.44 O +ATOM 51 N PRO B 79 -28.554 77.353 3.418 1.00 26.07 N +ATOM 52 CA PRO B 79 -28.468 76.026 4.047 1.00 23.73 C +ATOM 53 C PRO B 79 -27.482 76.096 5.208 1.00 22.09 C +ATOM 54 O PRO B 79 -26.521 76.859 5.141 1.00 27.69 O +ATOM 55 CB PRO B 79 -27.898 75.131 2.939 1.00 19.28 C +ATOM 56 CG PRO B 79 -28.058 75.903 1.668 1.00 22.38 C +ATOM 57 CD PRO B 79 -28.124 77.339 2.008 1.00 26.25 C +ATOM 58 N ALA B 80 -27.723 75.319 6.252 1.00 22.08 N +ATOM 59 CA ALA B 80 -26.807 75.235 7.376 1.00 21.45 C +ATOM 60 C ALA B 80 -25.414 74.805 6.914 1.00 24.40 C +ATOM 61 O ALA B 80 -24.411 75.328 7.388 1.00 28.63 O +ATOM 62 CB ALA B 80 -27.333 74.265 8.406 1.00 21.20 C +ATOM 63 N PHE B 81 -25.370 73.864 5.976 1.00 23.62 N +ATOM 64 CA PHE B 81 -24.121 73.288 5.502 1.00 22.46 C +ATOM 65 C PHE B 81 -24.199 73.171 3.977 1.00 23.41 C +ATOM 66 O PHE B 81 -24.514 72.099 3.442 1.00 23.86 O +ATOM 67 CB PHE B 81 -23.910 71.923 6.181 1.00 24.08 C +ATOM 68 CG PHE B 81 -22.507 71.380 6.080 1.00 24.03 C +ATOM 69 CD1 PHE B 81 -21.553 71.961 5.235 1.00 25.47 C +ATOM 70 CD2 PHE B 81 -22.144 70.266 6.828 1.00 25.56 C +ATOM 71 CE1 PHE B 81 -20.258 71.441 5.149 1.00 28.28 C +ATOM 72 CE2 PHE B 81 -20.846 69.736 6.753 1.00 30.05 C +ATOM 73 CZ PHE B 81 -19.906 70.318 5.911 1.00 29.42 C +ATOM 74 N PRO B 82 -23.942 74.285 3.281 1.00 20.83 N +ATOM 75 CA PRO B 82 -24.096 74.351 1.827 1.00 22.13 C +ATOM 76 C PRO B 82 -23.280 73.283 1.120 1.00 24.70 C +ATOM 77 O PRO B 82 -23.760 72.716 0.147 1.00 25.69 O +ATOM 78 CB PRO B 82 -23.586 75.766 1.481 1.00 20.64 C +ATOM 79 CG PRO B 82 -23.849 76.541 2.727 1.00 17.69 C +ATOM 80 CD PRO B 82 -23.552 75.592 3.848 1.00 20.52 C +ATOM 81 N GLY B 83 -22.097 72.984 1.637 1.00 25.80 N +ATOM 82 CA GLY B 83 -21.284 71.907 1.099 1.00 29.62 C +ATOM 83 C GLY B 83 -21.975 70.553 1.016 1.00 29.14 C +ATOM 84 O GLY B 83 -21.693 69.755 0.122 1.00 28.83 O +ATOM 85 N MET B 84 -22.881 70.278 1.948 1.00 26.49 N +ATOM 86 CA MET B 84 -23.566 68.998 1.937 1.00 22.82 C +ATOM 87 C MET B 84 -24.862 69.074 1.113 1.00 24.01 C +ATOM 88 O MET B 84 -25.722 68.205 1.220 1.00 21.85 O +ATOM 89 CB MET B 84 -23.815 68.506 3.370 1.00 23.25 C +ATOM 90 CG MET B 84 -22.615 67.850 4.026 1.00 27.84 C +ATOM 91 SD MET B 84 -22.072 66.362 3.154 1.00 32.39 S +ATOM 92 CE MET B 84 -21.245 65.427 4.464 1.00 32.66 C +ATOM 93 N GLY B 85 -24.972 70.113 0.284 1.00 24.16 N +ATOM 94 CA GLY B 85 -26.101 70.329 -0.605 1.00 27.56 C +ATOM 95 C GLY B 85 -26.205 69.345 -1.758 1.00 28.57 C +ATOM 96 O GLY B 85 -27.247 69.237 -2.415 1.00 33.62 O +ATOM 97 N SER B 86 -25.135 68.607 -1.991 1.00 26.35 N +ATOM 98 CA SER B 86 -25.124 67.584 -3.026 1.00 28.61 C +ATOM 99 C SER B 86 -25.429 66.228 -2.415 1.00 29.27 C +ATOM 100 O SER B 86 -24.823 65.831 -1.411 1.00 27.20 O +ATOM 101 CB SER B 86 -23.769 67.571 -3.746 1.00 29.88 C +ATOM 102 OG SER B 86 -23.489 66.295 -4.270 1.00 34.76 O +ATOM 103 N GLU B 87 -26.374 65.521 -3.028 1.00 29.04 N +ATOM 104 CA GLU B 87 -26.781 64.204 -2.560 1.00 27.09 C +ATOM 105 C GLU B 87 -25.629 63.200 -2.485 1.00 27.80 C +ATOM 106 O GLU B 87 -25.521 62.467 -1.492 1.00 24.65 O +ATOM 107 CB GLU B 87 -27.918 63.629 -3.417 1.00 25.95 C +ATOM 108 CG GLU B 87 -28.532 62.380 -2.799 1.00 28.45 C +ATOM 109 CD GLU B 87 -29.775 61.888 -3.522 1.00 36.29 C +ATOM 110 OE1 GLU B 87 -30.556 62.725 -4.039 1.00 33.85 O +ATOM 111 OE2 GLU B 87 -29.983 60.653 -3.558 1.00 40.02 O +ATOM 112 N GLU B 88 -24.776 63.163 -3.515 1.00 26.90 N +ATOM 113 CA GLU B 88 -23.668 62.206 -3.534 1.00 28.05 C +ATOM 114 C GLU B 88 -22.689 62.485 -2.403 1.00 21.22 C +ATOM 115 O GLU B 88 -22.131 61.560 -1.819 1.00 22.07 O +ATOM 116 CB GLU B 88 -22.951 62.172 -4.898 1.00 35.88 C +ATOM 117 CG GLU B 88 -22.552 60.763 -5.336 1.00 45.72 C +ATOM 118 CD GLU B 88 -21.301 60.250 -4.620 1.00 54.46 C +ATOM 119 OE1 GLU B 88 -20.219 60.855 -4.788 1.00 52.97 O +ATOM 120 OE2 GLU B 88 -21.395 59.240 -3.881 1.00 58.46 O +ATOM 121 N LEU B 89 -22.517 63.757 -2.057 1.00 18.90 N +ATOM 122 CA LEU B 89 -21.622 64.100 -0.954 1.00 19.82 C +ATOM 123 C LEU B 89 -22.252 63.620 0.345 1.00 21.92 C +ATOM 124 O LEU B 89 -21.587 63.043 1.197 1.00 22.70 O +ATOM 125 CB LEU B 89 -21.341 65.613 -0.922 1.00 24.69 C +ATOM 126 CG LEU B 89 -20.800 66.285 -2.204 1.00 27.11 C +ATOM 127 CD1 LEU B 89 -20.122 67.621 -1.930 1.00 25.11 C +ATOM 128 CD2 LEU B 89 -19.871 65.372 -3.009 1.00 25.30 C +ATOM 129 N ARG B 90 -23.558 63.827 0.475 1.00 22.60 N +ATOM 130 CA ARG B 90 -24.267 63.357 1.651 1.00 21.80 C +ATOM 131 C ARG B 90 -24.155 61.850 1.738 1.00 21.11 C +ATOM 132 O ARG B 90 -23.863 61.315 2.801 1.00 19.30 O +ATOM 133 CB ARG B 90 -25.722 63.806 1.604 1.00 20.35 C +ATOM 134 CG ARG B 90 -25.867 65.283 1.872 1.00 17.41 C +ATOM 135 CD ARG B 90 -27.271 65.688 2.295 1.00 21.60 C +ATOM 136 NE ARG B 90 -28.293 65.272 1.335 1.00 17.86 N +ATOM 137 CZ ARG B 90 -28.602 65.946 0.237 1.00 19.03 C +ATOM 138 NH1 ARG B 90 -27.955 67.074 -0.073 1.00 17.70 N +ATOM 139 NH2 ARG B 90 -29.562 65.494 -0.552 1.00 15.50 N +ATOM 140 N LEU B 91 -24.349 61.177 0.604 1.00 20.95 N +ATOM 141 CA LEU B 91 -24.239 59.722 0.531 1.00 26.57 C +ATOM 142 C LEU B 91 -22.876 59.228 0.993 1.00 27.19 C +ATOM 143 O LEU B 91 -22.779 58.225 1.709 1.00 29.48 O +ATOM 144 CB LEU B 91 -24.481 59.238 -0.907 1.00 30.57 C +ATOM 145 CG LEU B 91 -25.308 57.968 -1.151 1.00 35.52 C +ATOM 146 CD1 LEU B 91 -24.758 57.167 -2.320 1.00 33.37 C +ATOM 147 CD2 LEU B 91 -25.460 57.086 0.082 1.00 33.09 C +ATOM 148 N ALA B 92 -21.824 59.925 0.572 1.00 23.63 N +ATOM 149 CA ALA B 92 -20.462 59.531 0.912 1.00 23.05 C +ATOM 150 C ALA B 92 -20.246 59.557 2.418 1.00 24.33 C +ATOM 151 O ALA B 92 -19.438 58.792 2.941 1.00 23.84 O +ATOM 152 CB ALA B 92 -19.464 60.437 0.218 1.00 22.25 C +ATOM 153 N SER B 93 -20.994 60.418 3.113 1.00 24.08 N +ATOM 154 CA SER B 93 -20.871 60.555 4.563 1.00 21.51 C +ATOM 155 C SER B 93 -21.346 59.313 5.297 1.00 24.47 C +ATOM 156 O SER B 93 -21.016 59.114 6.469 1.00 24.61 O +ATOM 157 CB SER B 93 -21.622 61.799 5.067 1.00 24.09 C +ATOM 158 OG SER B 93 -23.019 61.569 5.136 1.00 21.21 O +ATOM 159 N PHE B 94 -22.115 58.479 4.603 1.00 22.95 N +ATOM 160 CA PHE B 94 -22.626 57.238 5.181 1.00 24.27 C +ATOM 161 C PHE B 94 -21.703 56.041 4.983 1.00 27.96 C +ATOM 162 O PHE B 94 -22.094 54.916 5.261 1.00 28.75 O +ATOM 163 CB PHE B 94 -24.029 56.936 4.627 1.00 23.29 C +ATOM 164 CG PHE B 94 -25.067 57.907 5.107 1.00 21.27 C +ATOM 165 CD1 PHE B 94 -25.642 57.750 6.359 1.00 18.71 C +ATOM 166 CD2 PHE B 94 -25.430 59.004 4.325 1.00 21.77 C +ATOM 167 CE1 PHE B 94 -26.577 58.662 6.830 1.00 24.54 C +ATOM 168 CE2 PHE B 94 -26.369 59.931 4.788 1.00 23.34 C +ATOM 169 CZ PHE B 94 -26.945 59.756 6.043 1.00 22.27 C +ATOM 170 N TYR B 95 -20.478 56.287 4.520 1.00 29.89 N +ATOM 171 CA TYR B 95 -19.499 55.213 4.322 1.00 34.76 C +ATOM 172 C TYR B 95 -19.359 54.339 5.566 1.00 32.92 C +ATOM 173 O TYR B 95 -19.169 53.137 5.450 1.00 32.72 O +ATOM 174 CB TYR B 95 -18.130 55.762 3.887 1.00 30.09 C +ATOM 175 CG TYR B 95 -17.274 56.235 5.035 1.00 30.42 C +ATOM 176 CD1 TYR B 95 -17.632 57.367 5.778 1.00 28.17 C +ATOM 177 CD2 TYR B 95 -16.105 55.549 5.392 1.00 29.85 C +ATOM 178 CE1 TYR B 95 -16.860 57.792 6.838 1.00 28.09 C +ATOM 179 CE2 TYR B 95 -15.326 55.974 6.449 1.00 29.19 C +ATOM 180 CZ TYR B 95 -15.708 57.092 7.170 1.00 31.14 C +ATOM 181 OH TYR B 95 -14.931 57.532 8.215 1.00 36.90 O +ATOM 182 N ASP B 96 -19.483 54.944 6.749 1.00 32.78 N +ATOM 183 CA ASP B 96 -19.384 54.199 8.002 1.00 32.35 C +ATOM 184 C ASP B 96 -20.728 54.112 8.725 1.00 30.23 C +ATOM 185 O ASP B 96 -20.773 54.047 9.955 1.00 30.85 O +ATOM 186 CB ASP B 96 -18.344 54.843 8.918 1.00 31.22 C +ATOM 187 CG ASP B 96 -18.671 56.278 9.243 1.00 34.52 C +ATOM 188 OD1 ASP B 96 -19.604 56.838 8.622 1.00 34.82 O +ATOM 189 OD2 ASP B 96 -18.050 56.930 10.101 1.00 37.38 O +ATOM 190 N TRP B 97 -21.818 54.147 7.964 1.00 31.14 N +ATOM 191 CA TRP B 97 -23.155 54.062 8.545 1.00 33.00 C +ATOM 192 C TRP B 97 -23.322 52.671 9.161 1.00 35.27 C +ATOM 193 O TRP B 97 -23.112 51.676 8.472 1.00 36.38 O +ATOM 194 CB TRP B 97 -24.210 54.327 7.465 1.00 27.67 C +ATOM 195 CG TRP B 97 -25.647 54.342 7.938 1.00 25.27 C +ATOM 196 CD1 TRP B 97 -26.634 53.489 7.554 1.00 23.69 C +ATOM 197 CD2 TRP B 97 -26.259 55.272 8.849 1.00 24.84 C +ATOM 198 NE1 TRP B 97 -27.822 53.825 8.156 1.00 23.02 N +ATOM 199 CE2 TRP B 97 -27.619 54.908 8.969 1.00 25.09 C +ATOM 200 CE3 TRP B 97 -25.795 56.372 9.581 1.00 21.71 C +ATOM 201 CZ2 TRP B 97 -28.516 55.598 9.787 1.00 20.06 C +ATOM 202 CZ3 TRP B 97 -26.681 57.058 10.389 1.00 25.28 C +ATOM 203 CH2 TRP B 97 -28.035 56.671 10.480 1.00 26.94 C +ATOM 204 N PRO B 98 -23.668 52.602 10.449 1.00 41.24 N +ATOM 205 CA PRO B 98 -23.805 51.321 11.161 1.00 44.86 C +ATOM 206 C PRO B 98 -24.778 50.334 10.509 1.00 51.31 C +ATOM 207 O PRO B 98 -25.892 50.700 10.135 1.00 51.35 O +ATOM 208 CB PRO B 98 -24.351 51.732 12.531 1.00 42.41 C +ATOM 209 CG PRO B 98 -23.962 53.137 12.699 1.00 44.12 C +ATOM 210 CD PRO B 98 -23.953 53.748 11.329 1.00 41.85 C +ATOM 211 N LEU B 99 -24.340 49.083 10.388 1.00 62.23 N +ATOM 212 CA LEU B 99 -25.189 47.981 9.925 1.00 68.16 C +ATOM 213 C LEU B 99 -26.460 47.868 10.775 1.00 67.31 C +ATOM 214 O LEU B 99 -27.543 47.595 10.247 1.00 66.74 O +ATOM 215 CB LEU B 99 -24.413 46.655 9.966 1.00 73.61 C +ATOM 216 CG LEU B 99 -23.211 46.451 9.030 1.00 78.11 C +ATOM 217 CD1 LEU B 99 -21.911 47.004 9.629 1.00 79.36 C +ATOM 218 CD2 LEU B 99 -23.048 44.971 8.677 1.00 79.63 C +ATOM 219 N THR B 100 -26.305 48.107 12.081 1.00 66.34 N +ATOM 220 CA THR B 100 -27.383 48.032 13.074 1.00 65.58 C +ATOM 221 C THR B 100 -28.476 49.085 12.882 1.00 65.38 C +ATOM 222 O THR B 100 -29.603 48.915 13.352 1.00 64.40 O +ATOM 223 CB THR B 100 -26.809 48.130 14.511 1.00 66.39 C +ATOM 224 OG1 THR B 100 -25.891 49.230 14.601 1.00 65.36 O +ATOM 225 CG2 THR B 100 -25.952 46.909 14.838 1.00 65.83 C +ATOM 226 N ALA B 101 -28.129 50.180 12.213 1.00 65.49 N +ATOM 227 CA ALA B 101 -29.105 51.171 11.787 1.00 63.24 C +ATOM 228 C ALA B 101 -29.737 50.671 10.491 1.00 63.61 C +ATOM 229 O ALA B 101 -29.084 50.656 9.436 1.00 66.08 O +ATOM 230 CB ALA B 101 -28.426 52.501 11.573 1.00 63.05 C +ATOM 231 N GLU B 102 -31.000 50.256 10.568 1.00 60.11 N +ATOM 232 CA GLU B 102 -31.636 49.551 9.450 1.00 57.99 C +ATOM 233 C GLU B 102 -32.404 50.494 8.522 1.00 51.70 C +ATOM 234 O GLU B 102 -33.497 50.186 8.047 1.00 49.99 O +ATOM 235 CB GLU B 102 -32.521 48.406 9.957 1.00 63.51 C +ATOM 236 CG GLU B 102 -31.836 47.492 10.966 1.00 68.81 C +ATOM 237 CD GLU B 102 -31.632 46.077 10.456 1.00 73.40 C +ATOM 238 OE1 GLU B 102 -32.559 45.523 9.819 1.00 75.78 O +ATOM 239 OE2 GLU B 102 -30.546 45.509 10.710 1.00 75.01 O +ATOM 240 N VAL B 103 -31.804 51.651 8.277 1.00 43.68 N +ATOM 241 CA VAL B 103 -32.320 52.619 7.330 1.00 37.09 C +ATOM 242 C VAL B 103 -31.221 52.842 6.293 1.00 32.08 C +ATOM 243 O VAL B 103 -30.108 53.205 6.652 1.00 32.90 O +ATOM 244 CB VAL B 103 -32.708 53.939 8.042 1.00 34.03 C +ATOM 245 CG1 VAL B 103 -33.067 55.006 7.034 1.00 35.90 C +ATOM 246 CG2 VAL B 103 -33.875 53.707 9.009 1.00 30.54 C +ATOM 247 N PRO B 104 -31.518 52.602 5.019 1.00 29.78 N +ATOM 248 CA PRO B 104 -30.499 52.730 3.965 1.00 30.50 C +ATOM 249 C PRO B 104 -30.004 54.179 3.803 1.00 29.71 C +ATOM 250 O PRO B 104 -30.821 55.094 3.689 1.00 35.32 O +ATOM 251 CB PRO B 104 -31.220 52.277 2.684 1.00 28.91 C +ATOM 252 CG PRO B 104 -32.589 51.832 3.079 1.00 31.48 C +ATOM 253 CD PRO B 104 -32.840 52.222 4.493 1.00 28.46 C +ATOM 254 N PRO B 105 -28.689 54.367 3.780 1.00 27.71 N +ATOM 255 CA PRO B 105 -28.071 55.684 3.573 1.00 26.67 C +ATOM 256 C PRO B 105 -28.649 56.432 2.389 1.00 24.37 C +ATOM 257 O PRO B 105 -28.799 57.649 2.465 1.00 24.01 O +ATOM 258 CB PRO B 105 -26.610 55.328 3.279 1.00 28.96 C +ATOM 259 CG PRO B 105 -26.379 54.083 4.079 1.00 27.97 C +ATOM 260 CD PRO B 105 -27.672 53.308 3.964 1.00 28.48 C +ATOM 261 N GLU B 106 -28.970 55.704 1.323 1.00 24.33 N +ATOM 262 CA GLU B 106 -29.547 56.268 0.111 1.00 27.78 C +ATOM 263 C GLU B 106 -30.800 57.078 0.427 1.00 25.14 C +ATOM 264 O GLU B 106 -30.956 58.185 -0.065 1.00 27.88 O +ATOM 265 CB GLU B 106 -29.872 55.163 -0.918 1.00 34.79 C +ATOM 266 CG GLU B 106 -28.689 54.282 -1.347 1.00 46.23 C +ATOM 267 CD GLU B 106 -28.140 53.381 -0.229 1.00 49.66 C +ATOM 268 OE1 GLU B 106 -28.926 52.884 0.609 1.00 48.01 O +ATOM 269 OE2 GLU B 106 -26.905 53.170 -0.181 1.00 53.79 O +ATOM 270 N LEU B 107 -31.690 56.534 1.250 1.00 24.71 N +ATOM 271 CA LEU B 107 -32.926 57.250 1.584 1.00 25.68 C +ATOM 272 C LEU B 107 -32.640 58.463 2.465 1.00 18.79 C +ATOM 273 O LEU B 107 -33.221 59.536 2.297 1.00 22.25 O +ATOM 274 CB LEU B 107 -33.922 56.313 2.281 1.00 29.27 C +ATOM 275 CG LEU B 107 -34.654 55.235 1.468 1.00 32.55 C +ATOM 276 CD1 LEU B 107 -35.697 54.549 2.361 1.00 31.68 C +ATOM 277 CD2 LEU B 107 -35.328 55.806 0.224 1.00 30.10 C +ATOM 278 N LEU B 108 -31.735 58.281 3.411 1.00 20.20 N +ATOM 279 CA LEU B 108 -31.354 59.358 4.299 1.00 20.68 C +ATOM 280 C LEU B 108 -30.725 60.502 3.523 1.00 17.96 C +ATOM 281 O LEU B 108 -31.094 61.663 3.717 1.00 20.23 O +ATOM 282 CB LEU B 108 -30.403 58.846 5.380 1.00 15.49 C +ATOM 283 CG LEU B 108 -31.102 58.041 6.452 1.00 19.60 C +ATOM 284 CD1 LEU B 108 -30.131 57.056 7.116 1.00 18.93 C +ATOM 285 CD2 LEU B 108 -31.705 58.984 7.460 1.00 21.24 C +ATOM 286 N ALA B 109 -29.798 60.172 2.628 1.00 20.91 N +ATOM 287 CA ALA B 109 -29.106 61.178 1.822 1.00 19.25 C +ATOM 288 C ALA B 109 -30.072 61.894 0.890 1.00 19.19 C +ATOM 289 O ALA B 109 -29.965 63.108 0.714 1.00 23.56 O +ATOM 290 CB ALA B 109 -27.945 60.545 1.022 1.00 17.91 C +ATOM 291 N ALA B 110 -31.014 61.144 0.302 1.00 16.66 N +ATOM 292 CA ALA B 110 -32.043 61.739 -0.567 1.00 20.33 C +ATOM 293 C ALA B 110 -32.901 62.693 0.242 1.00 14.52 C +ATOM 294 O ALA B 110 -33.338 63.720 -0.257 1.00 18.26 O +ATOM 295 CB ALA B 110 -32.940 60.636 -1.231 1.00 19.77 C +ATOM 296 N ALA B 111 -33.133 62.346 1.506 1.00 17.82 N +ATOM 297 CA ALA B 111 -33.946 63.184 2.370 1.00 16.79 C +ATOM 298 C ALA B 111 -33.178 64.356 2.975 1.00 16.14 C +ATOM 299 O ALA B 111 -33.687 65.035 3.853 1.00 17.64 O +ATOM 300 CB ALA B 111 -34.598 62.349 3.457 1.00 17.85 C +ATOM 301 N GLY B 112 -31.953 64.587 2.506 1.00 16.87 N +ATOM 302 CA GLY B 112 -31.208 65.776 2.886 1.00 13.32 C +ATOM 303 C GLY B 112 -30.220 65.547 4.002 1.00 17.37 C +ATOM 304 O GLY B 112 -29.527 66.471 4.413 1.00 17.73 O +ATOM 305 N PHE B 113 -30.141 64.312 4.487 1.00 15.45 N +ATOM 306 CA PHE B 113 -29.381 64.051 5.697 1.00 17.48 C +ATOM 307 C PHE B 113 -27.995 63.541 5.360 1.00 17.46 C +ATOM 308 O PHE B 113 -27.807 62.763 4.417 1.00 18.80 O +ATOM 309 CB PHE B 113 -30.068 63.003 6.573 1.00 12.69 C +ATOM 310 CG PHE B 113 -31.394 63.434 7.134 1.00 14.28 C +ATOM 311 CD1 PHE B 113 -31.468 64.381 8.152 1.00 10.40 C +ATOM 312 CD2 PHE B 113 -32.563 62.864 6.667 1.00 16.89 C +ATOM 313 CE1 PHE B 113 -32.700 64.763 8.687 1.00 17.85 C +ATOM 314 CE2 PHE B 113 -33.808 63.234 7.203 1.00 15.92 C +ATOM 315 CZ PHE B 113 -33.863 64.192 8.215 1.00 15.94 C +ATOM 316 N PHE B 114 -27.031 63.949 6.166 1.00 18.20 N +ATOM 317 CA PHE B 114 -25.689 63.398 6.066 1.00 20.82 C +ATOM 318 C PHE B 114 -25.289 62.921 7.435 1.00 19.59 C +ATOM 319 O PHE B 114 -25.773 63.421 8.448 1.00 21.07 O +ATOM 320 CB PHE B 114 -24.705 64.447 5.538 1.00 17.22 C +ATOM 321 CG PHE B 114 -24.483 65.597 6.475 1.00 20.13 C +ATOM 322 CD1 PHE B 114 -25.308 66.707 6.430 1.00 20.74 C +ATOM 323 CD2 PHE B 114 -23.442 65.572 7.397 1.00 22.44 C +ATOM 324 CE1 PHE B 114 -25.118 67.773 7.295 1.00 19.46 C +ATOM 325 CE2 PHE B 114 -23.229 66.639 8.266 1.00 23.08 C +ATOM 326 CZ PHE B 114 -24.076 67.741 8.225 1.00 21.30 C +ATOM 327 N HIS B 115 -24.406 61.937 7.461 1.00 24.02 N +ATOM 328 CA HIS B 115 -24.007 61.301 8.699 1.00 23.48 C +ATOM 329 C HIS B 115 -23.024 62.191 9.461 1.00 25.25 C +ATOM 330 O HIS B 115 -22.094 62.720 8.873 1.00 26.58 O +ATOM 331 CB HIS B 115 -23.355 59.975 8.348 1.00 24.89 C +ATOM 332 CG HIS B 115 -23.035 59.114 9.527 1.00 25.17 C +ATOM 333 ND1 HIS B 115 -22.114 58.093 9.465 1.00 26.81 N +ATOM 334 CD2 HIS B 115 -23.526 59.101 10.787 1.00 26.22 C +ATOM 335 CE1 HIS B 115 -22.039 57.496 10.640 1.00 23.54 C +ATOM 336 NE2 HIS B 115 -22.884 58.089 11.460 1.00 26.79 N +ATOM 337 N THR B 116 -23.252 62.373 10.758 1.00 26.83 N +ATOM 338 CA THR B 116 -22.248 62.973 11.650 1.00 32.60 C +ATOM 339 C THR B 116 -21.907 61.951 12.722 1.00 35.22 C +ATOM 340 O THR B 116 -22.769 61.172 13.129 1.00 36.53 O +ATOM 341 CB THR B 116 -22.766 64.253 12.330 1.00 31.73 C +ATOM 342 OG1 THR B 116 -23.909 63.936 13.133 1.00 34.57 O +ATOM 343 CG2 THR B 116 -23.322 65.232 11.308 1.00 32.90 C +ATOM 344 N GLY B 117 -20.660 61.960 13.188 1.00 38.02 N +ATOM 345 CA GLY B 117 -20.231 61.051 14.244 1.00 39.32 C +ATOM 346 C GLY B 117 -20.027 59.633 13.742 1.00 38.74 C +ATOM 347 O GLY B 117 -19.897 59.412 12.538 1.00 40.82 O +ATOM 348 N HIS B 118 -20.003 58.672 14.661 1.00 40.81 N +ATOM 349 CA HIS B 118 -19.727 57.277 14.315 1.00 46.77 C +ATOM 350 C HIS B 118 -20.830 56.344 14.790 1.00 48.12 C +ATOM 351 O HIS B 118 -20.677 55.115 14.766 1.00 50.23 O +ATOM 352 CB HIS B 118 -18.369 56.833 14.874 1.00 53.63 C +ATOM 353 CG HIS B 118 -17.204 57.489 14.206 1.00 58.29 C +ATOM 354 ND1 HIS B 118 -16.730 58.728 14.584 1.00 60.80 N +ATOM 355 CD2 HIS B 118 -16.432 57.092 13.167 1.00 60.85 C +ATOM 356 CE1 HIS B 118 -15.712 59.062 13.813 1.00 62.50 C +ATOM 357 NE2 HIS B 118 -15.510 58.087 12.944 1.00 63.84 N +ATOM 358 N GLN B 119 -21.938 56.933 15.233 1.00 44.32 N +ATOM 359 CA GLN B 119 -23.137 56.164 15.520 1.00 41.15 C +ATOM 360 C GLN B 119 -24.125 56.396 14.383 1.00 35.25 C +ATOM 361 O GLN B 119 -23.736 56.391 13.222 1.00 36.68 O +ATOM 362 CB GLN B 119 -23.718 56.549 16.877 1.00 45.49 C +ATOM 363 CG GLN B 119 -23.081 55.814 18.043 1.00 53.79 C +ATOM 364 CD GLN B 119 -22.339 56.745 18.984 1.00 58.77 C +ATOM 365 OE1 GLN B 119 -22.930 57.291 19.922 1.00 59.55 O +ATOM 366 NE2 GLN B 119 -21.043 56.933 18.736 1.00 62.64 N +ATOM 367 N ASP B 120 -25.391 56.610 14.706 1.00 30.64 N +ATOM 368 CA ASP B 120 -26.411 56.748 13.681 1.00 33.50 C +ATOM 369 C ASP B 120 -27.020 58.151 13.642 1.00 31.53 C +ATOM 370 O ASP B 120 -28.178 58.332 13.279 1.00 33.40 O +ATOM 371 CB ASP B 120 -27.483 55.667 13.850 1.00 34.46 C +ATOM 372 CG ASP B 120 -28.420 55.937 15.014 1.00 38.67 C +ATOM 373 OD1 ASP B 120 -28.020 56.609 15.993 1.00 39.05 O +ATOM 374 OD2 ASP B 120 -29.590 55.501 15.027 1.00 42.10 O +ATOM 375 N LYS B 121 -26.220 59.142 14.001 1.00 28.57 N +ATOM 376 CA LYS B 121 -26.683 60.515 14.012 1.00 30.29 C +ATOM 377 C LYS B 121 -26.618 61.086 12.611 1.00 29.84 C +ATOM 378 O LYS B 121 -25.655 60.849 11.884 1.00 24.99 O +ATOM 379 CB LYS B 121 -25.828 61.363 14.955 1.00 29.30 C +ATOM 380 CG LYS B 121 -26.126 61.147 16.426 1.00 28.34 C +ATOM 381 CD LYS B 121 -25.377 62.173 17.267 1.00 31.37 C +ATOM 382 CE LYS B 121 -25.346 61.766 18.735 1.00 34.04 C +ATOM 383 NZ LYS B 121 -23.970 61.873 19.260 1.00 42.53 N +ATOM 384 N VAL B 122 -27.659 61.822 12.235 1.00 24.56 N +ATOM 385 CA VAL B 122 -27.665 62.521 10.970 1.00 22.07 C +ATOM 386 C VAL B 122 -28.094 63.947 11.191 1.00 22.73 C +ATOM 387 O VAL B 122 -28.756 64.274 12.187 1.00 23.14 O +ATOM 388 CB VAL B 122 -28.598 61.870 9.898 1.00 21.84 C +ATOM 389 CG1 VAL B 122 -28.201 60.420 9.608 1.00 15.66 C +ATOM 390 CG2 VAL B 122 -30.071 62.003 10.274 1.00 20.34 C +ATOM 391 N ARG B 123 -27.709 64.790 10.244 1.00 20.64 N +ATOM 392 CA ARG B 123 -28.155 66.164 10.204 1.00 21.86 C +ATOM 393 C ARG B 123 -28.643 66.454 8.807 1.00 22.36 C +ATOM 394 O ARG B 123 -28.073 65.960 7.840 1.00 19.43 O +ATOM 395 CB ARG B 123 -26.985 67.100 10.510 1.00 26.01 C +ATOM 396 CG ARG B 123 -26.526 67.055 11.959 1.00 27.50 C +ATOM 397 CD ARG B 123 -27.247 68.044 12.829 1.00 25.66 C +ATOM 398 NE ARG B 123 -26.787 68.006 14.212 1.00 23.97 N +ATOM 399 CZ ARG B 123 -27.385 68.657 15.198 1.00 26.03 C +ATOM 400 NH1 ARG B 123 -28.467 69.391 14.954 1.00 24.59 N +ATOM 401 NH2 ARG B 123 -26.910 68.572 16.436 1.00 29.49 N +ATOM 402 N CYS B 124 -29.675 67.279 8.689 1.00 18.68 N +ATOM 403 CA CYS B 124 -30.036 67.796 7.385 1.00 18.35 C +ATOM 404 C CYS B 124 -29.075 68.899 6.979 1.00 20.00 C +ATOM 405 O CYS B 124 -28.788 69.791 7.772 1.00 20.56 O +ATOM 406 CB CYS B 124 -31.460 68.327 7.402 1.00 15.26 C +ATOM 407 SG CYS B 124 -31.908 69.179 5.894 1.00 18.47 S +ATOM 408 N PHE B 125 -28.579 68.857 5.746 1.00 18.71 N +ATOM 409 CA PHE B 125 -27.639 69.890 5.304 1.00 15.78 C +ATOM 410 C PHE B 125 -28.302 71.251 5.314 1.00 18.78 C +ATOM 411 O PHE B 125 -27.622 72.278 5.480 1.00 21.47 O +ATOM 412 CB PHE B 125 -27.096 69.605 3.894 1.00 15.88 C +ATOM 413 CG PHE B 125 -28.030 70.042 2.796 1.00 15.82 C +ATOM 414 CD1 PHE B 125 -29.064 69.210 2.387 1.00 17.59 C +ATOM 415 CD2 PHE B 125 -27.901 71.303 2.204 1.00 14.73 C +ATOM 416 CE1 PHE B 125 -29.951 69.609 1.384 1.00 19.10 C +ATOM 417 CE2 PHE B 125 -28.782 71.709 1.200 1.00 17.50 C +ATOM 418 CZ PHE B 125 -29.802 70.867 0.797 1.00 15.51 C +ATOM 419 N PHE B 126 -29.622 71.280 5.106 1.00 15.40 N +ATOM 420 CA PHE B 126 -30.299 72.573 5.022 1.00 18.34 C +ATOM 421 C PHE B 126 -30.728 73.122 6.373 1.00 21.24 C +ATOM 422 O PHE B 126 -30.286 74.208 6.758 1.00 24.07 O +ATOM 423 CB PHE B 126 -31.484 72.604 4.028 1.00 17.06 C +ATOM 424 CG PHE B 126 -31.955 73.995 3.763 1.00 24.05 C +ATOM 425 CD1 PHE B 126 -32.771 74.641 4.680 1.00 18.50 C +ATOM 426 CD2 PHE B 126 -31.499 74.702 2.652 1.00 24.18 C +ATOM 427 CE1 PHE B 126 -33.137 75.959 4.504 1.00 23.16 C +ATOM 428 CE2 PHE B 126 -31.882 76.025 2.456 1.00 25.91 C +ATOM 429 CZ PHE B 126 -32.697 76.655 3.387 1.00 24.35 C +ATOM 430 N CYS B 127 -31.592 72.397 7.090 1.00 15.05 N +ATOM 431 CA CYS B 127 -32.141 72.940 8.322 1.00 16.41 C +ATOM 432 C CYS B 127 -31.283 72.572 9.514 1.00 19.23 C +ATOM 433 O CYS B 127 -31.508 73.074 10.613 1.00 21.15 O +ATOM 434 CB CYS B 127 -33.603 72.491 8.547 1.00 14.73 C +ATOM 435 SG CYS B 127 -33.736 70.719 8.818 1.00 17.10 S +ATOM 436 N TYR B 128 -30.306 71.691 9.292 1.00 18.70 N +ATOM 437 CA TYR B 128 -29.457 71.186 10.364 1.00 19.82 C +ATOM 438 C TYR B 128 -30.229 70.407 11.430 1.00 20.09 C +ATOM 439 O TYR B 128 -29.736 70.213 12.537 1.00 18.49 O +ATOM 440 CB TYR B 128 -28.609 72.305 11.009 1.00 21.74 C +ATOM 441 CG TYR B 128 -27.263 71.788 11.450 1.00 21.60 C +ATOM 442 CD1 TYR B 128 -26.414 71.147 10.537 1.00 23.94 C +ATOM 443 CD2 TYR B 128 -26.843 71.898 12.781 1.00 19.89 C +ATOM 444 CE1 TYR B 128 -25.172 70.635 10.934 1.00 24.25 C +ATOM 445 CE2 TYR B 128 -25.598 71.387 13.189 1.00 25.29 C +ATOM 446 CZ TYR B 128 -24.768 70.762 12.249 1.00 25.68 C +ATOM 447 OH TYR B 128 -23.538 70.258 12.612 1.00 30.39 O +ATOM 448 N GLY B 129 -31.429 69.945 11.082 1.00 20.31 N +ATOM 449 CA GLY B 129 -32.191 69.077 11.958 1.00 16.32 C +ATOM 450 C GLY B 129 -31.399 67.815 12.251 1.00 20.32 C +ATOM 451 O GLY B 129 -30.885 67.181 11.339 1.00 20.58 O +ATOM 452 N GLY B 130 -31.311 67.447 13.523 1.00 19.85 N +ATOM 453 CA GLY B 130 -30.520 66.309 13.922 1.00 17.49 C +ATOM 454 C GLY B 130 -31.387 65.180 14.411 1.00 19.90 C +ATOM 455 O GLY B 130 -32.245 65.369 15.273 1.00 22.37 O +ATOM 456 N LEU B 131 -31.152 63.996 13.866 1.00 16.38 N +ATOM 457 CA LEU B 131 -31.941 62.829 14.215 1.00 21.59 C +ATOM 458 C LEU B 131 -31.042 61.614 14.364 1.00 24.36 C +ATOM 459 O LEU B 131 -30.025 61.478 13.675 1.00 23.10 O +ATOM 460 CB LEU B 131 -32.982 62.541 13.136 1.00 19.39 C +ATOM 461 CG LEU B 131 -34.113 63.548 12.938 1.00 18.69 C +ATOM 462 CD1 LEU B 131 -34.965 63.156 11.755 1.00 17.20 C +ATOM 463 CD2 LEU B 131 -34.960 63.629 14.198 1.00 15.04 C +ATOM 464 N GLN B 132 -31.439 60.723 15.256 1.00 19.28 N +ATOM 465 CA GLN B 132 -30.684 59.512 15.503 1.00 24.51 C +ATOM 466 C GLN B 132 -31.678 58.450 15.959 1.00 27.77 C +ATOM 467 O GLN B 132 -32.892 58.676 15.901 1.00 25.99 O +ATOM 468 CB GLN B 132 -29.627 59.772 16.583 1.00 24.68 C +ATOM 469 CG GLN B 132 -30.227 60.277 17.895 1.00 24.28 C +ATOM 470 CD GLN B 132 -29.175 60.620 18.902 1.00 30.48 C +ATOM 471 OE1 GLN B 132 -28.563 61.677 18.818 1.00 37.31 O +ATOM 472 NE2 GLN B 132 -28.935 59.717 19.847 1.00 33.46 N +ATOM 473 N SER B 133 -31.162 57.306 16.419 1.00 30.29 N +ATOM 474 CA SER B 133 -31.983 56.170 16.853 1.00 32.20 C +ATOM 475 C SER B 133 -32.876 55.688 15.730 1.00 34.36 C +ATOM 476 O SER B 133 -34.038 55.356 15.944 1.00 37.33 O +ATOM 477 CB SER B 133 -32.806 56.512 18.097 1.00 32.59 C +ATOM 478 OG SER B 133 -31.957 57.029 19.110 1.00 35.41 O +ATOM 479 N TRP B 134 -32.314 55.656 14.529 1.00 31.78 N +ATOM 480 CA TRP B 134 -33.010 55.156 13.359 1.00 32.10 C +ATOM 481 C TRP B 134 -33.304 53.664 13.484 1.00 36.41 C +ATOM 482 O TRP B 134 -32.426 52.864 13.830 1.00 36.75 O +ATOM 483 CB TRP B 134 -32.192 55.430 12.095 1.00 26.80 C +ATOM 484 CG TRP B 134 -32.082 56.887 11.799 1.00 26.56 C +ATOM 485 CD1 TRP B 134 -31.079 57.725 12.182 1.00 26.42 C +ATOM 486 CD2 TRP B 134 -33.024 57.689 11.081 1.00 23.52 C +ATOM 487 NE1 TRP B 134 -31.324 58.999 11.734 1.00 23.94 N +ATOM 488 CE2 TRP B 134 -32.517 59.005 11.054 1.00 22.70 C +ATOM 489 CE3 TRP B 134 -34.247 57.427 10.451 1.00 21.62 C +ATOM 490 CZ2 TRP B 134 -33.188 60.054 10.428 1.00 21.99 C +ATOM 491 CZ3 TRP B 134 -34.910 58.458 9.824 1.00 21.50 C +ATOM 492 CH2 TRP B 134 -34.380 59.765 9.819 1.00 25.61 C +ATOM 493 N LYS B 135 -34.548 53.307 13.188 1.00 38.58 N +ATOM 494 CA LYS B 135 -35.019 51.940 13.315 1.00 43.87 C +ATOM 495 C LYS B 135 -35.650 51.523 12.001 1.00 42.88 C +ATOM 496 O LYS B 135 -36.155 52.373 11.256 1.00 38.86 O +ATOM 497 CB LYS B 135 -36.057 51.853 14.436 1.00 50.06 C +ATOM 498 CG LYS B 135 -35.519 51.353 15.774 1.00 58.37 C +ATOM 499 CD LYS B 135 -36.572 50.501 16.481 1.00 65.49 C +ATOM 500 CE LYS B 135 -36.013 49.789 17.707 1.00 68.92 C +ATOM 501 NZ LYS B 135 -37.108 49.335 18.614 1.00 68.60 N +ATOM 502 N ARG B 136 -35.625 50.221 11.721 1.00 41.42 N +ATOM 503 CA ARG B 136 -36.240 49.666 10.516 1.00 42.01 C +ATOM 504 C ARG B 136 -37.633 50.256 10.278 1.00 36.71 C +ATOM 505 O ARG B 136 -38.439 50.372 11.208 1.00 34.24 O +ATOM 506 CB ARG B 136 -36.314 48.137 10.604 1.00 50.24 C +ATOM 507 CG ARG B 136 -36.744 47.452 9.309 1.00 57.80 C +ATOM 508 CD ARG B 136 -35.817 46.335 8.852 1.00 66.99 C +ATOM 509 NE ARG B 136 -35.874 45.167 9.733 1.00 74.89 N +ATOM 510 CZ ARG B 136 -36.381 43.983 9.391 1.00 80.41 C +ATOM 511 NH1 ARG B 136 -36.887 43.789 8.175 1.00 82.11 N +ATOM 512 NH2 ARG B 136 -36.386 42.985 10.269 1.00 81.12 N +ATOM 513 N GLY B 137 -37.879 50.663 9.038 1.00 31.94 N +ATOM 514 CA GLY B 137 -39.159 51.209 8.639 1.00 37.12 C +ATOM 515 C GLY B 137 -39.326 52.705 8.859 1.00 37.97 C +ATOM 516 O GLY B 137 -40.284 53.280 8.345 1.00 43.69 O +ATOM 517 N ASP B 138 -38.431 53.329 9.630 1.00 33.22 N +ATOM 518 CA ASP B 138 -38.430 54.788 9.765 1.00 33.72 C +ATOM 519 C ASP B 138 -38.170 55.380 8.392 1.00 29.26 C +ATOM 520 O ASP B 138 -37.204 55.013 7.727 1.00 33.20 O +ATOM 521 CB ASP B 138 -37.341 55.267 10.726 1.00 36.03 C +ATOM 522 CG ASP B 138 -37.676 55.008 12.175 1.00 38.81 C +ATOM 523 OD1 ASP B 138 -38.808 54.566 12.466 1.00 45.55 O +ATOM 524 OD2 ASP B 138 -36.859 55.211 13.097 1.00 39.38 O +ATOM 525 N ASP B 139 -39.052 56.267 7.956 1.00 26.97 N +ATOM 526 CA ASP B 139 -38.907 56.884 6.653 1.00 26.53 C +ATOM 527 C ASP B 139 -38.277 58.279 6.783 1.00 19.87 C +ATOM 528 O ASP B 139 -38.872 59.190 7.347 1.00 23.75 O +ATOM 529 CB ASP B 139 -40.246 56.951 5.932 1.00 26.19 C +ATOM 530 CG ASP B 139 -40.141 57.646 4.610 1.00 29.04 C +ATOM 531 OD1 ASP B 139 -39.595 57.139 3.603 1.00 34.20 O +ATOM 532 OD2 ASP B 139 -40.604 58.791 4.528 1.00 33.79 O +ATOM 533 N PRO B 140 -37.061 58.434 6.275 1.00 18.63 N +ATOM 534 CA PRO B 140 -36.322 59.700 6.418 1.00 18.48 C +ATOM 535 C PRO B 140 -37.130 60.953 6.060 1.00 18.44 C +ATOM 536 O PRO B 140 -37.077 61.911 6.829 1.00 18.91 O +ATOM 537 CB PRO B 140 -35.133 59.511 5.476 1.00 15.32 C +ATOM 538 CG PRO B 140 -34.871 58.029 5.577 1.00 20.21 C +ATOM 539 CD PRO B 140 -36.265 57.405 5.575 1.00 15.66 C +ATOM 540 N TRP B 141 -37.849 60.956 4.937 1.00 17.01 N +ATOM 541 CA TRP B 141 -38.658 62.116 4.563 1.00 17.41 C +ATOM 542 C TRP B 141 -39.759 62.372 5.571 1.00 17.41 C +ATOM 543 O TRP B 141 -40.018 63.515 5.922 1.00 15.65 O +ATOM 544 CB TRP B 141 -39.300 61.923 3.191 1.00 19.46 C +ATOM 545 CG TRP B 141 -38.459 62.319 2.045 1.00 19.41 C +ATOM 546 CD1 TRP B 141 -38.212 61.574 0.904 1.00 17.68 C +ATOM 547 CD2 TRP B 141 -37.744 63.548 1.885 1.00 19.02 C +ATOM 548 NE1 TRP B 141 -37.402 62.285 0.058 1.00 21.18 N +ATOM 549 CE2 TRP B 141 -37.095 63.495 0.633 1.00 20.22 C +ATOM 550 CE3 TRP B 141 -37.581 64.699 2.676 1.00 21.37 C +ATOM 551 CZ2 TRP B 141 -36.317 64.541 0.153 1.00 21.01 C +ATOM 552 CZ3 TRP B 141 -36.798 65.741 2.197 1.00 21.43 C +ATOM 553 CH2 TRP B 141 -36.184 65.657 0.948 1.00 19.67 C +ATOM 554 N THR B 142 -40.415 61.305 6.031 1.00 15.93 N +ATOM 555 CA THR B 142 -41.480 61.466 7.012 1.00 19.77 C +ATOM 556 C THR B 142 -40.927 62.094 8.306 1.00 16.02 C +ATOM 557 O THR B 142 -41.498 63.039 8.856 1.00 19.98 O +ATOM 558 CB THR B 142 -42.132 60.102 7.288 1.00 23.39 C +ATOM 559 OG1 THR B 142 -42.666 59.580 6.066 1.00 21.01 O +ATOM 560 CG2 THR B 142 -43.355 60.253 8.197 1.00 20.10 C +ATOM 561 N GLU B 143 -39.795 61.570 8.763 1.00 15.53 N +ATOM 562 CA GLU B 143 -39.136 62.078 9.959 1.00 16.00 C +ATOM 563 C GLU B 143 -38.729 63.523 9.771 1.00 17.38 C +ATOM 564 O GLU B 143 -38.902 64.338 10.669 1.00 18.02 O +ATOM 565 CB GLU B 143 -37.922 61.232 10.288 1.00 15.44 C +ATOM 566 CG GLU B 143 -38.263 59.801 10.635 1.00 17.46 C +ATOM 567 CD GLU B 143 -38.975 59.675 11.972 1.00 25.99 C +ATOM 568 OE1 GLU B 143 -39.126 60.686 12.687 1.00 27.50 O +ATOM 569 OE2 GLU B 143 -39.363 58.549 12.325 1.00 33.74 O +ATOM 570 N HIS B 144 -38.226 63.836 8.581 1.00 12.66 N +ATOM 571 CA HIS B 144 -37.855 65.199 8.237 1.00 14.69 C +ATOM 572 C HIS B 144 -39.050 66.123 8.422 1.00 15.97 C +ATOM 573 O HIS B 144 -38.940 67.157 9.058 1.00 17.02 O +ATOM 574 CB HIS B 144 -37.349 65.264 6.783 1.00 15.11 C +ATOM 575 CG HIS B 144 -36.284 66.292 6.552 1.00 14.35 C +ATOM 576 ND1 HIS B 144 -35.241 66.092 5.677 1.00 18.75 N +ATOM 577 CD2 HIS B 144 -36.098 67.527 7.079 1.00 17.27 C +ATOM 578 CE1 HIS B 144 -34.459 67.156 5.671 1.00 16.20 C +ATOM 579 NE2 HIS B 144 -34.950 68.037 6.523 1.00 20.66 N +ATOM 580 N ALA B 145 -40.194 65.742 7.852 1.00 15.24 N +ATOM 581 CA ALA B 145 -41.396 66.574 7.901 1.00 16.41 C +ATOM 582 C ALA B 145 -41.964 66.636 9.311 1.00 16.48 C +ATOM 583 O ALA B 145 -42.490 67.659 9.734 1.00 16.76 O +ATOM 584 CB ALA B 145 -42.458 66.040 6.902 1.00 9.85 C +ATOM 585 N LYS B 146 -41.827 65.537 10.042 1.00 16.32 N +ATOM 586 CA LYS B 146 -42.331 65.465 11.403 1.00 19.89 C +ATOM 587 C LYS B 146 -41.573 66.405 12.341 1.00 19.62 C +ATOM 588 O LYS B 146 -42.161 67.159 13.121 1.00 18.80 O +ATOM 589 CB LYS B 146 -42.259 64.017 11.900 1.00 16.99 C +ATOM 590 CG LYS B 146 -42.485 63.880 13.395 1.00 29.66 C +ATOM 591 CD LYS B 146 -42.315 62.436 13.860 1.00 35.37 C +ATOM 592 CE LYS B 146 -42.526 62.341 15.372 1.00 41.02 C +ATOM 593 NZ LYS B 146 -42.385 60.939 15.874 1.00 43.76 N +ATOM 594 N TRP B 147 -40.255 66.381 12.243 1.00 20.71 N +ATOM 595 CA TRP B 147 -39.438 67.141 13.172 1.00 17.41 C +ATOM 596 C TRP B 147 -39.077 68.528 12.694 1.00 17.02 C +ATOM 597 O TRP B 147 -38.936 69.447 13.503 1.00 16.27 O +ATOM 598 CB TRP B 147 -38.176 66.353 13.450 1.00 19.66 C +ATOM 599 CG TRP B 147 -38.461 65.075 14.126 1.00 19.34 C +ATOM 600 CD1 TRP B 147 -38.366 63.826 13.590 1.00 18.51 C +ATOM 601 CD2 TRP B 147 -38.890 64.903 15.480 1.00 21.91 C +ATOM 602 NE1 TRP B 147 -38.694 62.881 14.530 1.00 21.21 N +ATOM 603 CE2 TRP B 147 -39.019 63.515 15.704 1.00 25.28 C +ATOM 604 CE3 TRP B 147 -39.158 65.784 16.542 1.00 27.88 C +ATOM 605 CZ2 TRP B 147 -39.412 62.982 16.947 1.00 30.38 C +ATOM 606 CZ3 TRP B 147 -39.552 65.258 17.778 1.00 28.57 C +ATOM 607 CH2 TRP B 147 -39.682 63.866 17.965 1.00 29.11 C +ATOM 608 N PHE B 148 -38.904 68.690 11.380 1.00 17.88 N +ATOM 609 CA PHE B 148 -38.389 69.953 10.841 1.00 16.86 C +ATOM 610 C PHE B 148 -39.253 70.505 9.715 1.00 15.86 C +ATOM 611 O PHE B 148 -38.786 70.658 8.587 1.00 17.26 O +ATOM 612 CB PHE B 148 -36.928 69.765 10.402 1.00 17.99 C +ATOM 613 CG PHE B 148 -36.153 68.873 11.319 1.00 15.85 C +ATOM 614 CD1 PHE B 148 -35.904 69.257 12.635 1.00 17.00 C +ATOM 615 CD2 PHE B 148 -35.697 67.636 10.883 1.00 17.84 C +ATOM 616 CE1 PHE B 148 -35.219 68.410 13.508 1.00 12.44 C +ATOM 617 CE2 PHE B 148 -34.983 66.805 11.736 1.00 16.25 C +ATOM 618 CZ PHE B 148 -34.759 67.187 13.053 1.00 14.02 C +ATOM 619 N PRO B 149 -40.514 70.816 10.021 1.00 15.33 N +ATOM 620 CA PRO B 149 -41.495 71.122 8.972 1.00 16.31 C +ATOM 621 C PRO B 149 -41.170 72.379 8.167 1.00 19.43 C +ATOM 622 O PRO B 149 -41.621 72.485 7.040 1.00 20.24 O +ATOM 623 CB PRO B 149 -42.823 71.278 9.744 1.00 15.73 C +ATOM 624 CG PRO B 149 -42.398 71.643 11.134 1.00 15.06 C +ATOM 625 CD PRO B 149 -41.108 70.880 11.373 1.00 14.92 C +ATOM 626 N SER B 150 -40.376 73.300 8.704 1.00 21.22 N +ATOM 627 CA SER B 150 -40.097 74.524 7.959 1.00 17.40 C +ATOM 628 C SER B 150 -38.825 74.422 7.086 1.00 14.98 C +ATOM 629 O SER B 150 -38.451 75.371 6.418 1.00 17.66 O +ATOM 630 CB SER B 150 -40.035 75.715 8.912 1.00 22.40 C +ATOM 631 OG SER B 150 -38.710 75.852 9.391 1.00 33.34 O +ATOM 632 N CYS B 151 -38.164 73.270 7.098 1.00 16.49 N +ATOM 633 CA CYS B 151 -36.958 73.087 6.302 1.00 18.83 C +ATOM 634 C CYS B 151 -37.273 73.332 4.833 1.00 18.70 C +ATOM 635 O CYS B 151 -38.121 72.653 4.240 1.00 19.66 O +ATOM 636 CB CYS B 151 -36.415 71.673 6.469 1.00 16.85 C +ATOM 637 SG CYS B 151 -35.047 71.326 5.335 1.00 17.24 S +ATOM 638 N GLN B 152 -36.574 74.286 4.237 1.00 18.17 N +ATOM 639 CA GLN B 152 -36.859 74.671 2.851 1.00 21.49 C +ATOM 640 C GLN B 152 -36.499 73.565 1.864 1.00 19.81 C +ATOM 641 O GLN B 152 -37.148 73.416 0.828 1.00 17.73 O +ATOM 642 CB GLN B 152 -36.158 75.982 2.495 1.00 22.81 C +ATOM 643 CG GLN B 152 -36.858 77.206 3.096 1.00 27.78 C +ATOM 644 CD GLN B 152 -35.896 78.368 3.322 1.00 32.44 C +ATOM 645 OE1 GLN B 152 -35.605 79.123 2.393 1.00 38.08 O +ATOM 646 NE2 GLN B 152 -35.394 78.506 4.549 1.00 31.05 N +ATOM 647 N PHE B 153 -35.475 72.777 2.193 1.00 18.38 N +ATOM 648 CA PHE B 153 -35.083 71.685 1.321 1.00 17.60 C +ATOM 649 C PHE B 153 -36.164 70.616 1.332 1.00 13.82 C +ATOM 650 O PHE B 153 -36.520 70.048 0.299 1.00 18.49 O +ATOM 651 CB PHE B 153 -33.748 71.068 1.751 1.00 14.92 C +ATOM 652 CG PHE B 153 -33.408 69.808 0.986 1.00 16.24 C +ATOM 653 CD1 PHE B 153 -32.981 69.881 -0.338 1.00 17.75 C +ATOM 654 CD2 PHE B 153 -33.566 68.562 1.572 1.00 15.57 C +ATOM 655 CE1 PHE B 153 -32.669 68.727 -1.062 1.00 19.54 C +ATOM 656 CE2 PHE B 153 -33.265 67.391 0.855 1.00 18.54 C +ATOM 657 CZ PHE B 153 -32.818 67.482 -0.467 1.00 19.91 C +ATOM 658 N LEU B 154 -36.663 70.334 2.524 1.00 14.63 N +ATOM 659 CA LEU B 154 -37.761 69.414 2.684 1.00 18.79 C +ATOM 660 C LEU B 154 -38.964 69.935 1.893 1.00 17.34 C +ATOM 661 O LEU B 154 -39.551 69.201 1.104 1.00 17.07 O +ATOM 662 CB LEU B 154 -38.104 69.269 4.160 1.00 16.75 C +ATOM 663 CG LEU B 154 -39.523 68.782 4.477 1.00 21.35 C +ATOM 664 CD1 LEU B 154 -39.714 67.286 4.185 1.00 16.74 C +ATOM 665 CD2 LEU B 154 -39.841 69.098 5.934 1.00 21.09 C +ATOM 666 N LEU B 155 -39.303 71.211 2.094 1.00 18.20 N +ATOM 667 CA LEU B 155 -40.480 71.786 1.458 1.00 20.36 C +ATOM 668 C LEU B 155 -40.342 71.810 -0.066 1.00 21.50 C +ATOM 669 O LEU B 155 -41.288 71.516 -0.781 1.00 21.95 O +ATOM 670 CB LEU B 155 -40.775 73.177 2.013 1.00 21.36 C +ATOM 671 CG LEU B 155 -41.459 73.166 3.389 1.00 23.64 C +ATOM 672 CD1 LEU B 155 -41.341 74.544 4.068 1.00 19.47 C +ATOM 673 CD2 LEU B 155 -42.935 72.734 3.274 1.00 23.17 C +ATOM 674 N ARG B 156 -39.150 72.134 -0.548 1.00 20.67 N +ATOM 675 CA ARG B 156 -38.877 72.146 -1.974 1.00 19.79 C +ATOM 676 C ARG B 156 -39.002 70.747 -2.535 1.00 18.70 C +ATOM 677 O ARG B 156 -39.494 70.562 -3.648 1.00 18.14 O +ATOM 678 CB ARG B 156 -37.461 72.661 -2.225 1.00 25.29 C +ATOM 679 CG ARG B 156 -37.127 72.942 -3.668 1.00 40.73 C +ATOM 680 CD ARG B 156 -35.629 73.059 -3.936 1.00 50.40 C +ATOM 681 NE ARG B 156 -35.214 74.447 -4.135 1.00 56.22 N +ATOM 682 CZ ARG B 156 -34.020 74.824 -4.598 1.00 60.78 C +ATOM 683 NH1 ARG B 156 -33.098 73.917 -4.918 1.00 59.31 N +ATOM 684 NH2 ARG B 156 -33.745 76.116 -4.740 1.00 60.96 N +ATOM 685 N SER B 157 -38.533 69.758 -1.773 1.00 14.64 N +ATOM 686 CA SER B 157 -38.441 68.402 -2.289 1.00 18.35 C +ATOM 687 C SER B 157 -39.774 67.682 -2.228 1.00 20.72 C +ATOM 688 O SER B 157 -40.133 66.949 -3.160 1.00 17.62 O +ATOM 689 CB SER B 157 -37.423 67.570 -1.497 1.00 19.84 C +ATOM 690 OG SER B 157 -36.104 68.024 -1.658 1.00 23.18 O +ATOM 691 N LYS B 158 -40.491 67.877 -1.118 1.00 14.87 N +ATOM 692 CA LYS B 158 -41.666 67.064 -0.832 1.00 16.17 C +ATOM 693 C LYS B 158 -42.965 67.846 -0.960 1.00 14.29 C +ATOM 694 O LYS B 158 -44.014 67.249 -1.088 1.00 16.95 O +ATOM 695 CB LYS B 158 -41.545 66.441 0.565 1.00 15.26 C +ATOM 696 CG LYS B 158 -40.412 65.423 0.707 1.00 16.30 C +ATOM 697 CD LYS B 158 -40.590 64.227 -0.206 1.00 16.05 C +ATOM 698 CE LYS B 158 -41.758 63.372 0.285 1.00 21.54 C +ATOM 699 NZ LYS B 158 -42.082 62.322 -0.696 1.00 27.17 N +ATOM 700 N GLY B 159 -42.879 69.175 -0.918 1.00 14.60 N +ATOM 701 CA GLY B 159 -44.040 70.041 -1.052 1.00 19.90 C +ATOM 702 C GLY B 159 -44.696 70.334 0.286 1.00 21.51 C +ATOM 703 O GLY B 159 -44.535 69.569 1.242 1.00 17.65 O +ATOM 704 N ARG B 160 -45.439 71.436 0.343 1.00 19.76 N +ATOM 705 CA ARG B 160 -46.174 71.818 1.552 1.00 23.35 C +ATOM 706 C ARG B 160 -47.199 70.768 1.987 1.00 20.73 C +ATOM 707 O ARG B 160 -47.361 70.508 3.175 1.00 23.76 O +ATOM 708 CB ARG B 160 -46.871 73.161 1.352 1.00 29.51 C +ATOM 709 CG ARG B 160 -45.938 74.364 1.388 1.00 41.96 C +ATOM 710 CD ARG B 160 -46.588 75.661 0.913 1.00 54.15 C +ATOM 711 NE ARG B 160 -47.029 76.501 2.026 1.00 65.04 N +ATOM 712 CZ ARG B 160 -48.223 77.091 2.107 1.00 71.63 C +ATOM 713 NH1 ARG B 160 -49.123 76.946 1.138 1.00 72.75 N +ATOM 714 NH2 ARG B 160 -48.520 77.831 3.169 1.00 74.30 N +ATOM 715 N ASP B 161 -47.891 70.170 1.027 1.00 16.65 N +ATOM 716 CA ASP B 161 -48.938 69.196 1.347 1.00 19.32 C +ATOM 717 C ASP B 161 -48.392 68.028 2.141 1.00 18.15 C +ATOM 718 O ASP B 161 -48.963 67.639 3.169 1.00 19.65 O +ATOM 719 CB ASP B 161 -49.643 68.712 0.083 1.00 17.32 C +ATOM 720 CG ASP B 161 -50.427 69.813 -0.593 1.00 24.03 C +ATOM 721 OD1 ASP B 161 -50.489 70.930 -0.025 1.00 27.61 O +ATOM 722 OD2 ASP B 161 -51.028 69.656 -1.679 1.00 26.64 O +ATOM 723 N PHE B 162 -47.280 67.482 1.675 1.00 15.64 N +ATOM 724 CA PHE B 162 -46.642 66.380 2.364 1.00 15.26 C +ATOM 725 C PHE B 162 -46.325 66.741 3.809 1.00 16.87 C +ATOM 726 O PHE B 162 -46.617 65.984 4.741 1.00 20.81 O +ATOM 727 CB PHE B 162 -45.348 65.990 1.666 1.00 14.87 C +ATOM 728 CG PHE B 162 -44.597 64.886 2.363 1.00 13.69 C +ATOM 729 CD1 PHE B 162 -44.937 63.558 2.149 1.00 17.59 C +ATOM 730 CD2 PHE B 162 -43.550 65.181 3.239 1.00 13.54 C +ATOM 731 CE1 PHE B 162 -44.220 62.516 2.782 1.00 15.32 C +ATOM 732 CE2 PHE B 162 -42.842 64.155 3.875 1.00 15.69 C +ATOM 733 CZ PHE B 162 -43.192 62.825 3.653 1.00 14.93 C +ATOM 734 N VAL B 163 -45.715 67.901 3.985 1.00 18.21 N +ATOM 735 CA VAL B 163 -45.263 68.316 5.291 1.00 16.70 C +ATOM 736 C VAL B 163 -46.478 68.549 6.178 1.00 18.99 C +ATOM 737 O VAL B 163 -46.532 68.091 7.318 1.00 18.59 O +ATOM 738 CB VAL B 163 -44.406 69.586 5.188 1.00 18.61 C +ATOM 739 CG1 VAL B 163 -44.125 70.155 6.572 1.00 16.57 C +ATOM 740 CG2 VAL B 163 -43.102 69.270 4.452 1.00 15.65 C +ATOM 741 N HIS B 164 -47.454 69.268 5.644 1.00 19.49 N +ATOM 742 CA HIS B 164 -48.692 69.502 6.363 1.00 23.78 C +ATOM 743 C HIS B 164 -49.372 68.170 6.754 1.00 20.56 C +ATOM 744 O HIS B 164 -49.814 67.995 7.884 1.00 18.80 O +ATOM 745 CB HIS B 164 -49.615 70.352 5.504 1.00 27.98 C +ATOM 746 CG HIS B 164 -50.885 70.730 6.182 1.00 33.82 C +ATOM 747 ND1 HIS B 164 -52.067 70.060 5.965 1.00 35.73 N +ATOM 748 CD2 HIS B 164 -51.162 71.710 7.074 1.00 40.06 C +ATOM 749 CE1 HIS B 164 -53.023 70.621 6.685 1.00 39.01 C +ATOM 750 NE2 HIS B 164 -52.499 71.620 7.372 1.00 39.10 N +ATOM 751 N SER B 165 -49.419 67.229 5.819 1.00 16.75 N +ATOM 752 CA SER B 165 -50.024 65.926 6.074 1.00 19.20 C +ATOM 753 C SER B 165 -49.288 65.161 7.169 1.00 21.00 C +ATOM 754 O SER B 165 -49.912 64.579 8.056 1.00 16.56 O +ATOM 755 CB SER B 165 -50.055 65.099 4.796 1.00 13.57 C +ATOM 756 OG SER B 165 -50.933 65.710 3.871 1.00 19.48 O +ATOM 757 N VAL B 166 -47.963 65.164 7.102 1.00 17.25 N +ATOM 758 CA VAL B 166 -47.167 64.513 8.131 1.00 18.10 C +ATOM 759 C VAL B 166 -47.384 65.181 9.485 1.00 17.48 C +ATOM 760 O VAL B 166 -47.526 64.486 10.489 1.00 21.09 O +ATOM 761 CB VAL B 166 -45.660 64.472 7.778 1.00 17.70 C +ATOM 762 CG1 VAL B 166 -44.842 63.953 8.961 1.00 13.99 C +ATOM 763 CG2 VAL B 166 -45.447 63.568 6.574 1.00 13.97 C +ATOM 764 N GLN B 167 -47.438 66.512 9.518 1.00 20.44 N +ATOM 765 CA GLN B 167 -47.694 67.230 10.781 1.00 23.69 C +ATOM 766 C GLN B 167 -49.043 66.824 11.409 1.00 27.57 C +ATOM 767 O GLN B 167 -49.119 66.576 12.612 1.00 28.40 O +ATOM 768 CB GLN B 167 -47.614 68.756 10.592 1.00 23.03 C +ATOM 769 CG GLN B 167 -46.175 69.307 10.470 1.00 25.10 C +ATOM 770 CD GLN B 167 -45.394 69.201 11.772 1.00 25.74 C +ATOM 771 OE1 GLN B 167 -45.808 69.741 12.779 1.00 27.71 O +ATOM 772 NE2 GLN B 167 -44.267 68.507 11.746 1.00 26.67 N +ATOM 773 N GLU B 168 -50.095 66.731 10.591 1.00 26.11 N +ATOM 774 CA GLU B 168 -51.416 66.323 11.085 1.00 30.60 C +ATOM 775 C GLU B 168 -51.480 64.878 11.568 1.00 29.13 C +ATOM 776 O GLU B 168 -52.247 64.574 12.465 1.00 32.85 O +ATOM 777 CB GLU B 168 -52.496 66.467 10.014 1.00 35.17 C +ATOM 778 CG GLU B 168 -52.686 67.834 9.404 1.00 42.10 C +ATOM 779 CD GLU B 168 -53.702 67.768 8.284 1.00 49.48 C +ATOM 780 OE1 GLU B 168 -54.912 67.737 8.593 1.00 51.99 O +ATOM 781 OE2 GLU B 168 -53.293 67.702 7.101 1.00 54.63 O +ATOM 782 N THR B 169 -50.725 63.979 10.946 1.00 27.08 N +ATOM 783 CA THR B 169 -50.823 62.568 11.303 1.00 32.04 C +ATOM 784 C THR B 169 -49.797 62.129 12.342 1.00 39.98 C +ATOM 785 O THR B 169 -49.930 61.056 12.934 1.00 41.22 O +ATOM 786 CB THR B 169 -50.699 61.684 10.075 1.00 33.28 C +ATOM 787 OG1 THR B 169 -49.483 61.991 9.393 1.00 33.39 O +ATOM 788 CG2 THR B 169 -51.768 62.037 9.050 1.00 36.13 C +ATOM 789 N HIS B 170 -48.762 62.940 12.534 1.00 43.22 N +ATOM 790 CA HIS B 170 -47.675 62.596 13.444 1.00 49.80 C +ATOM 791 C HIS B 170 -47.542 63.674 14.514 1.00 57.58 C +ATOM 792 O HIS B 170 -46.478 64.286 14.661 1.00 60.18 O +ATOM 793 CB HIS B 170 -46.354 62.415 12.680 1.00 46.33 C +ATOM 794 CG HIS B 170 -46.359 61.267 11.721 1.00 44.73 C +ATOM 795 ND1 HIS B 170 -47.136 61.249 10.582 1.00 44.00 N +ATOM 796 CD2 HIS B 170 -45.672 60.101 11.724 1.00 46.97 C +ATOM 797 CE1 HIS B 170 -46.937 60.117 9.932 1.00 46.50 C +ATOM 798 NE2 HIS B 170 -46.053 59.401 10.603 1.00 48.05 N +ATOM 799 N SER B 171 -48.646 63.897 15.235 1.00 64.12 N +ATOM 800 CA SER B 171 -48.756 64.828 16.368 1.00 70.58 C +ATOM 801 C SER B 171 -49.979 65.736 16.221 1.00 74.17 C +ATOM 802 O SER B 171 -50.062 66.805 16.828 1.00 76.90 O +ATOM 803 CB SER B 171 -47.486 65.666 16.565 1.00 71.93 C +ATOM 804 OG SER B 171 -46.515 64.959 17.322 1.00 71.76 O Added: SwiftApps/modFTdock/input/indata/1oxn-3.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1oxn-3.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1oxn-3.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,804 @@ +ATOM 1 N ALA C 71 -41.578 56.818 18.630 1.00 76.22 N +ATOM 2 CA ALA C 71 -42.004 55.863 17.567 1.00 74.82 C +ATOM 3 C ALA C 71 -40.839 55.545 16.629 1.00 71.76 C +ATOM 4 O ALA C 71 -40.371 54.402 16.569 1.00 74.24 O +ATOM 5 CB ALA C 71 -43.198 56.426 16.786 1.00 76.07 C +ATOM 6 N GLY C 72 -40.373 56.564 15.910 1.00 64.01 N +ATOM 7 CA GLY C 72 -39.271 56.414 14.980 1.00 54.12 C +ATOM 8 C GLY C 72 -37.969 57.013 15.479 1.00 46.00 C +ATOM 9 O GLY C 72 -37.563 56.805 16.621 1.00 47.07 O +ATOM 10 N ALA C 73 -37.303 57.752 14.602 1.00 40.57 N +ATOM 11 CA ALA C 73 -36.050 58.410 14.934 1.00 29.81 C +ATOM 12 C ALA C 73 -36.297 59.423 16.036 1.00 29.28 C +ATOM 13 O ALA C 73 -37.437 59.868 16.245 1.00 26.85 O +ATOM 14 CB ALA C 73 -35.491 59.096 13.701 1.00 28.37 C +ATOM 15 N THR C 74 -35.242 59.796 16.751 1.00 27.24 N +ATOM 16 CA THR C 74 -35.394 60.797 17.804 1.00 27.88 C +ATOM 17 C THR C 74 -34.487 61.992 17.535 1.00 26.37 C +ATOM 18 O THR C 74 -33.453 61.861 16.875 1.00 27.08 O +ATOM 19 CB THR C 74 -35.067 60.186 19.183 1.00 31.19 C +ATOM 20 OG1 THR C 74 -33.765 59.597 19.132 1.00 37.42 O +ATOM 21 CG2 THR C 74 -35.962 58.980 19.490 1.00 33.50 C +ATOM 22 N LEU C 75 -34.889 63.150 18.051 1.00 22.63 N +ATOM 23 CA LEU C 75 -34.088 64.356 18.013 1.00 26.14 C +ATOM 24 C LEU C 75 -32.763 64.161 18.729 1.00 28.31 C +ATOM 25 O LEU C 75 -32.722 63.693 19.874 1.00 31.89 O +ATOM 26 CB LEU C 75 -34.832 65.479 18.722 1.00 29.19 C +ATOM 27 CG LEU C 75 -35.394 66.684 17.988 1.00 34.53 C +ATOM 28 CD1 LEU C 75 -35.678 66.429 16.519 1.00 32.72 C +ATOM 29 CD2 LEU C 75 -36.653 67.097 18.727 1.00 35.67 C +ATOM 30 N SER C 76 -31.681 64.546 18.067 1.00 26.78 N +ATOM 31 CA SER C 76 -30.377 64.571 18.712 1.00 27.33 C +ATOM 32 C SER C 76 -30.364 65.648 19.770 1.00 25.32 C +ATOM 33 O SER C 76 -31.091 66.634 19.668 1.00 26.88 O +ATOM 34 CB SER C 76 -29.286 64.801 17.676 1.00 29.31 C +ATOM 35 OG SER C 76 -29.164 63.639 16.879 1.00 33.27 O +ATOM 36 N ARG C 77 -29.545 65.447 20.789 1.00 25.71 N +ATOM 37 CA ARG C 77 -29.533 66.296 21.978 1.00 28.89 C +ATOM 38 C ARG C 77 -28.511 67.420 21.897 1.00 29.73 C +ATOM 39 O ARG C 77 -28.604 68.405 22.617 1.00 33.60 O +ATOM 40 CB ARG C 77 -29.254 65.451 23.222 1.00 34.37 C +ATOM 41 CG ARG C 77 -30.440 64.640 23.712 1.00 46.80 C +ATOM 42 CD ARG C 77 -30.215 63.984 25.080 1.00 59.47 C +ATOM 43 NE ARG C 77 -31.163 64.470 26.089 1.00 69.68 N +ATOM 44 CZ ARG C 77 -30.991 65.559 26.843 1.00 73.79 C +ATOM 45 NH1 ARG C 77 -29.897 66.308 26.728 1.00 73.82 N +ATOM 46 NH2 ARG C 77 -31.926 65.902 27.721 1.00 75.27 N +ATOM 47 N GLY C 78 -27.528 67.279 21.024 1.00 27.68 N +ATOM 48 CA GLY C 78 -26.507 68.300 20.915 1.00 32.55 C +ATOM 49 C GLY C 78 -27.012 69.605 20.319 1.00 28.83 C +ATOM 50 O GLY C 78 -27.696 69.589 19.302 1.00 31.76 O +ATOM 51 N PRO C 79 -26.664 70.732 20.937 1.00 28.50 N +ATOM 52 CA PRO C 79 -26.899 72.043 20.321 1.00 27.11 C +ATOM 53 C PRO C 79 -26.089 72.159 19.042 1.00 24.69 C +ATOM 54 O PRO C 79 -24.986 71.622 18.976 1.00 28.65 O +ATOM 55 CB PRO C 79 -26.350 73.025 21.357 1.00 26.13 C +ATOM 56 CG PRO C 79 -26.323 72.242 22.645 1.00 30.03 C +ATOM 57 CD PRO C 79 -26.011 70.844 22.257 1.00 29.32 C +ATOM 58 N ALA C 80 -26.627 72.847 18.043 1.00 20.72 N +ATOM 59 CA ALA C 80 -25.889 73.090 16.819 1.00 22.54 C +ATOM 60 C ALA C 80 -24.605 73.850 17.133 1.00 26.48 C +ATOM 61 O ALA C 80 -23.541 73.519 16.597 1.00 25.92 O +ATOM 62 CB ALA C 80 -26.723 73.875 15.846 1.00 20.98 C +ATOM 63 N PHE C 81 -24.721 74.868 17.994 1.00 22.39 N +ATOM 64 CA PHE C 81 -23.613 75.771 18.304 1.00 22.03 C +ATOM 65 C PHE C 81 -23.480 75.871 19.822 1.00 23.22 C +ATOM 66 O PHE C 81 -23.938 76.829 20.429 1.00 26.75 O +ATOM 67 CB PHE C 81 -23.830 77.143 17.643 1.00 22.35 C +ATOM 68 CG PHE C 81 -22.592 78.030 17.608 1.00 23.46 C +ATOM 69 CD1 PHE C 81 -21.448 77.720 18.348 1.00 25.24 C +ATOM 70 CD2 PHE C 81 -22.593 79.199 16.846 1.00 27.27 C +ATOM 71 CE1 PHE C 81 -20.312 78.553 18.319 1.00 28.46 C +ATOM 72 CE2 PHE C 81 -21.464 80.047 16.808 1.00 23.79 C +ATOM 73 CZ PHE C 81 -20.329 79.723 17.549 1.00 24.45 C +ATOM 74 N PRO C 82 -22.839 74.870 20.423 1.00 24.21 N +ATOM 75 CA PRO C 82 -22.766 74.744 21.882 1.00 27.94 C +ATOM 76 C PRO C 82 -22.158 75.994 22.523 1.00 30.17 C +ATOM 77 O PRO C 82 -22.645 76.455 23.553 1.00 31.49 O +ATOM 78 CB PRO C 82 -21.838 73.534 22.096 1.00 28.22 C +ATOM 79 CG PRO C 82 -21.867 72.779 20.795 1.00 29.82 C +ATOM 80 CD PRO C 82 -22.089 73.805 19.724 1.00 24.46 C +ATOM 81 N GLY C 83 -21.121 76.544 21.905 1.00 31.38 N +ATOM 82 CA GLY C 83 -20.518 77.771 22.388 1.00 33.35 C +ATOM 83 C GLY C 83 -21.545 78.857 22.646 1.00 36.61 C +ATOM 84 O GLY C 83 -21.406 79.637 23.591 1.00 39.43 O +ATOM 85 N MET C 84 -22.589 78.895 21.822 1.00 32.10 N +ATOM 86 CA MET C 84 -23.599 79.937 21.939 1.00 29.67 C +ATOM 87 C MET C 84 -24.742 79.561 22.898 1.00 29.45 C +ATOM 88 O MET C 84 -25.789 80.202 22.913 1.00 29.76 O +ATOM 89 CB MET C 84 -24.114 80.330 20.558 1.00 27.99 C +ATOM 90 CG MET C 84 -23.242 81.345 19.834 1.00 30.84 C +ATOM 91 SD MET C 84 -23.064 82.883 20.771 1.00 35.56 S +ATOM 92 CE MET C 84 -22.211 83.844 19.616 1.00 32.04 C +ATOM 93 N GLY C 85 -24.526 78.517 23.692 1.00 31.21 N +ATOM 94 CA GLY C 85 -25.445 78.136 24.753 1.00 35.16 C +ATOM 95 C GLY C 85 -25.559 79.208 25.824 1.00 37.43 C +ATOM 96 O GLY C 85 -26.605 79.363 26.461 1.00 38.25 O +ATOM 97 N SER C 86 -24.480 79.959 26.014 1.00 37.58 N +ATOM 98 CA SER C 86 -24.487 81.090 26.937 1.00 37.44 C +ATOM 99 C SER C 86 -25.239 82.269 26.339 1.00 31.35 C +ATOM 100 O SER C 86 -24.866 82.789 25.285 1.00 32.04 O +ATOM 101 CB SER C 86 -23.050 81.492 27.316 1.00 38.79 C +ATOM 102 OG SER C 86 -22.903 82.899 27.388 1.00 41.43 O +ATOM 103 N GLU C 87 -26.286 82.700 27.034 1.00 32.58 N +ATOM 104 CA GLU C 87 -27.066 83.868 26.641 1.00 37.11 C +ATOM 105 C GLU C 87 -26.189 85.113 26.547 1.00 38.14 C +ATOM 106 O GLU C 87 -26.378 85.958 25.663 1.00 36.12 O +ATOM 107 CB GLU C 87 -28.209 84.118 27.628 1.00 35.24 C +ATOM 108 CG GLU C 87 -29.100 85.278 27.226 1.00 39.50 C +ATOM 109 CD GLU C 87 -30.321 85.453 28.109 1.00 44.57 C +ATOM 110 OE1 GLU C 87 -30.611 84.586 28.964 1.00 46.47 O +ATOM 111 OE2 GLU C 87 -31.007 86.479 27.935 1.00 48.00 O +ATOM 112 N GLU C 88 -25.245 85.205 27.479 1.00 40.34 N +ATOM 113 CA GLU C 88 -24.272 86.282 27.531 1.00 44.55 C +ATOM 114 C GLU C 88 -23.505 86.367 26.216 1.00 38.47 C +ATOM 115 O GLU C 88 -23.413 87.443 25.619 1.00 35.30 O +ATOM 116 CB GLU C 88 -23.309 86.045 28.699 1.00 54.20 C +ATOM 117 CG GLU C 88 -22.753 87.307 29.335 1.00 64.94 C +ATOM 118 CD GLU C 88 -21.901 87.002 30.555 1.00 72.13 C +ATOM 119 OE1 GLU C 88 -22.479 86.687 31.619 1.00 76.01 O +ATOM 120 OE2 GLU C 88 -20.656 87.066 30.446 1.00 73.58 O +ATOM 121 N LEU C 89 -22.974 85.229 25.762 1.00 34.84 N +ATOM 122 CA LEU C 89 -22.272 85.178 24.470 1.00 36.07 C +ATOM 123 C LEU C 89 -23.190 85.503 23.291 1.00 36.48 C +ATOM 124 O LEU C 89 -22.773 86.172 22.345 1.00 40.96 O +ATOM 125 CB LEU C 89 -21.551 83.841 24.268 1.00 38.15 C +ATOM 126 CG LEU C 89 -20.363 83.514 25.186 1.00 41.98 C +ATOM 127 CD1 LEU C 89 -19.500 82.397 24.589 1.00 42.77 C +ATOM 128 CD2 LEU C 89 -19.505 84.749 25.490 1.00 43.19 C +ATOM 129 N ARG C 90 -24.448 85.065 23.363 1.00 34.74 N +ATOM 130 CA ARG C 90 -25.414 85.374 22.301 1.00 34.32 C +ATOM 131 C ARG C 90 -25.709 86.865 22.245 1.00 35.32 C +ATOM 132 O ARG C 90 -25.797 87.441 21.158 1.00 34.38 O +ATOM 133 CB ARG C 90 -26.721 84.609 22.490 1.00 27.03 C +ATOM 134 CG ARG C 90 -26.595 83.105 22.357 1.00 25.62 C +ATOM 135 CD ARG C 90 -27.934 82.409 22.106 1.00 25.80 C +ATOM 136 NE ARG C 90 -28.906 82.613 23.186 1.00 22.21 N +ATOM 137 CZ ARG C 90 -28.940 81.917 24.325 1.00 23.59 C +ATOM 138 NH1 ARG C 90 -28.043 80.959 24.558 1.00 18.00 N +ATOM 139 NH2 ARG C 90 -29.884 82.172 25.231 1.00 21.47 N +ATOM 140 N LEU C 91 -25.886 87.469 23.421 1.00 37.25 N +ATOM 141 CA LEU C 91 -26.121 88.906 23.531 1.00 37.76 C +ATOM 142 C LEU C 91 -24.940 89.685 22.957 1.00 33.15 C +ATOM 143 O LEU C 91 -25.131 90.581 22.140 1.00 34.55 O +ATOM 144 CB LEU C 91 -26.375 89.326 24.989 1.00 38.89 C +ATOM 145 CG LEU C 91 -27.485 90.354 25.267 1.00 42.42 C +ATOM 146 CD1 LEU C 91 -27.127 91.287 26.434 1.00 42.60 C +ATOM 147 CD2 LEU C 91 -27.883 91.177 24.040 1.00 40.63 C +ATOM 148 N ALA C 92 -23.729 89.325 23.376 1.00 30.99 N +ATOM 149 CA ALA C 92 -22.510 89.955 22.850 1.00 35.90 C +ATOM 150 C ALA C 92 -22.445 89.905 21.318 1.00 39.24 C +ATOM 151 O ALA C 92 -21.917 90.831 20.688 1.00 40.19 O +ATOM 152 CB ALA C 92 -21.272 89.318 23.457 1.00 35.33 C +ATOM 153 N SER C 93 -23.007 88.847 20.722 1.00 33.60 N +ATOM 154 CA SER C 93 -22.967 88.676 19.265 1.00 28.61 C +ATOM 155 C SER C 93 -23.721 89.775 18.561 1.00 28.30 C +ATOM 156 O SER C 93 -23.536 89.977 17.370 1.00 31.31 O +ATOM 157 CB SER C 93 -23.482 87.294 18.826 1.00 30.42 C +ATOM 158 OG SER C 93 -24.904 87.217 18.824 1.00 31.96 O +ATOM 159 N PHE C 94 -24.550 90.505 19.307 1.00 32.35 N +ATOM 160 CA PHE C 94 -25.343 91.591 18.734 1.00 35.36 C +ATOM 161 C PHE C 94 -24.672 92.977 18.817 1.00 42.43 C +ATOM 162 O PHE C 94 -25.324 94.000 18.587 1.00 40.77 O +ATOM 163 CB PHE C 94 -26.729 91.629 19.381 1.00 35.13 C +ATOM 164 CG PHE C 94 -27.607 90.460 19.006 1.00 33.23 C +ATOM 165 CD1 PHE C 94 -28.406 90.511 17.875 1.00 33.76 C +ATOM 166 CD2 PHE C 94 -27.624 89.310 19.784 1.00 30.84 C +ATOM 167 CE1 PHE C 94 -29.212 89.428 17.522 1.00 34.04 C +ATOM 168 CE2 PHE C 94 -28.430 88.231 19.444 1.00 31.92 C +ATOM 169 CZ PHE C 94 -29.219 88.290 18.307 1.00 30.44 C +ATOM 170 N TYR C 95 -23.378 93.008 19.127 1.00 48.51 N +ATOM 171 CA TYR C 95 -22.614 94.265 19.161 1.00 54.64 C +ATOM 172 C TYR C 95 -22.815 95.135 17.908 1.00 55.75 C +ATOM 173 O TYR C 95 -22.958 96.359 18.012 1.00 54.91 O +ATOM 174 CB TYR C 95 -21.124 93.991 19.402 1.00 58.48 C +ATOM 175 CG TYR C 95 -20.395 93.384 18.220 1.00 64.09 C +ATOM 176 CD1 TYR C 95 -20.405 92.007 18.004 1.00 66.07 C +ATOM 177 CD2 TYR C 95 -19.688 94.187 17.322 1.00 66.41 C +ATOM 178 CE1 TYR C 95 -19.741 91.444 16.924 1.00 68.38 C +ATOM 179 CE2 TYR C 95 -19.021 93.634 16.235 1.00 68.43 C +ATOM 180 CZ TYR C 95 -19.051 92.262 16.045 1.00 70.81 C +ATOM 181 OH TYR C 95 -18.393 91.702 14.976 1.00 73.26 O +ATOM 182 N ASP C 96 -22.853 94.489 16.742 1.00 57.80 N +ATOM 183 CA ASP C 96 -23.004 95.163 15.454 1.00 60.42 C +ATOM 184 C ASP C 96 -24.412 94.976 14.871 1.00 57.76 C +ATOM 185 O ASP C 96 -24.617 95.104 13.657 1.00 56.41 O +ATOM 186 CB ASP C 96 -21.936 94.645 14.475 1.00 68.47 C +ATOM 187 CG ASP C 96 -21.720 95.563 13.271 1.00 75.57 C +ATOM 188 OD1 ASP C 96 -22.173 96.733 13.289 1.00 77.22 O +ATOM 189 OD2 ASP C 96 -21.097 95.185 12.252 1.00 78.86 O +ATOM 190 N TRP C 97 -25.379 94.681 15.740 1.00 56.11 N +ATOM 191 CA TRP C 97 -26.777 94.515 15.332 1.00 56.69 C +ATOM 192 C TRP C 97 -27.272 95.796 14.666 1.00 61.77 C +ATOM 193 O TRP C 97 -27.134 96.878 15.241 1.00 64.10 O +ATOM 194 CB TRP C 97 -27.638 94.173 16.551 1.00 52.21 C +ATOM 195 CG TRP C 97 -29.090 93.825 16.288 1.00 48.17 C +ATOM 196 CD1 TRP C 97 -30.182 94.462 16.802 1.00 47.50 C +ATOM 197 CD2 TRP C 97 -29.602 92.735 15.502 1.00 48.44 C +ATOM 198 NE1 TRP C 97 -31.338 93.854 16.374 1.00 46.56 N +ATOM 199 CE2 TRP C 97 -31.013 92.789 15.576 1.00 45.71 C +ATOM 200 CE3 TRP C 97 -29.014 91.717 14.734 1.00 46.24 C +ATOM 201 CZ2 TRP C 97 -31.840 91.879 14.908 1.00 43.77 C +ATOM 202 CZ3 TRP C 97 -29.840 90.809 14.078 1.00 45.37 C +ATOM 203 CH2 TRP C 97 -31.237 90.898 14.172 1.00 43.40 C +ATOM 204 N PRO C 98 -27.830 95.680 13.459 1.00 66.09 N +ATOM 205 CA PRO C 98 -28.266 96.848 12.689 1.00 70.61 C +ATOM 206 C PRO C 98 -29.212 97.745 13.470 1.00 77.66 C +ATOM 207 O PRO C 98 -30.023 97.258 14.265 1.00 77.81 O +ATOM 208 CB PRO C 98 -29.002 96.226 11.503 1.00 68.91 C +ATOM 209 CG PRO C 98 -28.369 94.925 11.335 1.00 66.66 C +ATOM 210 CD PRO C 98 -28.090 94.430 12.725 1.00 65.68 C +ATOM 211 N LEU C 99 -29.083 99.050 13.243 1.00 84.76 N +ATOM 212 CA LEU C 99 -29.961 100.044 13.854 1.00 88.47 C +ATOM 213 C LEU C 99 -31.176 100.306 12.954 1.00 88.63 C +ATOM 214 O LEU C 99 -32.020 101.152 13.258 1.00 89.05 O +ATOM 215 CB LEU C 99 -29.182 101.327 14.186 1.00 90.95 C +ATOM 216 CG LEU C 99 -27.943 101.098 15.070 1.00 92.70 C +ATOM 217 CD1 LEU C 99 -26.773 101.998 14.663 1.00 93.00 C +ATOM 218 CD2 LEU C 99 -28.271 101.244 16.560 1.00 93.00 C +ATOM 219 N THR C 100 -31.241 99.561 11.847 1.00 88.51 N +ATOM 220 CA THR C 100 -32.450 99.430 11.031 1.00 88.45 C +ATOM 221 C THR C 100 -33.271 98.209 11.478 1.00 87.90 C +ATOM 222 O THR C 100 -34.350 97.946 10.938 1.00 88.16 O +ATOM 223 CB THR C 100 -32.108 99.318 9.514 1.00 89.34 C +ATOM 224 OG1 THR C 100 -31.026 98.398 9.318 1.00 88.41 O +ATOM 225 CG2 THR C 100 -31.569 100.644 8.965 1.00 90.39 C +ATOM 226 N ALA C 101 -32.751 97.471 12.462 1.00 86.41 N +ATOM 227 CA ALA C 101 -33.429 96.299 13.020 1.00 84.41 C +ATOM 228 C ALA C 101 -34.260 96.674 14.248 1.00 83.21 C +ATOM 229 O ALA C 101 -33.728 97.176 15.246 1.00 83.27 O +ATOM 230 CB ALA C 101 -32.422 95.218 13.360 1.00 83.92 C +ATOM 231 N GLU C 102 -35.563 96.406 14.168 1.00 80.26 N +ATOM 232 CA GLU C 102 -36.535 96.914 15.140 1.00 77.10 C +ATOM 233 C GLU C 102 -36.828 95.977 16.325 1.00 70.65 C +ATOM 234 O GLU C 102 -37.719 96.249 17.138 1.00 70.46 O +ATOM 235 CB GLU C 102 -37.837 97.293 14.422 1.00 81.16 C +ATOM 236 CG GLU C 102 -37.691 98.372 13.354 1.00 84.14 C +ATOM 237 CD GLU C 102 -37.696 97.825 11.930 1.00 85.62 C +ATOM 238 OE1 GLU C 102 -38.154 96.682 11.706 1.00 83.90 O +ATOM 239 OE2 GLU C 102 -37.243 98.553 11.019 1.00 88.26 O +ATOM 240 N VAL C 103 -36.078 94.882 16.421 1.00 60.61 N +ATOM 241 CA VAL C 103 -36.210 93.949 17.538 1.00 49.38 C +ATOM 242 C VAL C 103 -34.948 93.984 18.390 1.00 47.41 C +ATOM 243 O VAL C 103 -33.845 93.792 17.877 1.00 47.75 O +ATOM 244 CB VAL C 103 -36.492 92.513 17.051 1.00 44.33 C +ATOM 245 CG1 VAL C 103 -36.446 91.528 18.208 1.00 38.18 C +ATOM 246 CG2 VAL C 103 -37.833 92.454 16.349 1.00 42.98 C +ATOM 247 N PRO C 104 -35.108 94.237 19.687 1.00 48.13 N +ATOM 248 CA PRO C 104 -33.965 94.378 20.597 1.00 47.53 C +ATOM 249 C PRO C 104 -33.147 93.095 20.751 1.00 45.23 C +ATOM 250 O PRO C 104 -33.728 92.020 20.899 1.00 44.61 O +ATOM 251 CB PRO C 104 -34.623 94.749 21.932 1.00 49.17 C +ATOM 252 CG PRO C 104 -35.975 95.240 21.571 1.00 49.22 C +ATOM 253 CD PRO C 104 -36.394 94.425 20.384 1.00 48.15 C +ATOM 254 N PRO C 105 -31.818 93.217 20.729 1.00 44.58 N +ATOM 255 CA PRO C 105 -30.918 92.066 20.869 1.00 42.34 C +ATOM 256 C PRO C 105 -31.240 91.177 22.068 1.00 39.68 C +ATOM 257 O PRO C 105 -31.204 89.952 21.928 1.00 40.74 O +ATOM 258 CB PRO C 105 -29.554 92.725 21.073 1.00 42.37 C +ATOM 259 CG PRO C 105 -29.663 94.018 20.371 1.00 43.83 C +ATOM 260 CD PRO C 105 -31.072 94.477 20.561 1.00 43.68 C +ATOM 261 N GLU C 106 -31.543 91.785 23.215 1.00 35.13 N +ATOM 262 CA GLU C 106 -31.815 91.046 24.459 1.00 37.22 C +ATOM 263 C GLU C 106 -32.970 90.049 24.296 1.00 28.75 C +ATOM 264 O GLU C 106 -32.943 88.968 24.864 1.00 30.26 O +ATOM 265 CB GLU C 106 -32.102 91.994 25.642 1.00 41.78 C +ATOM 266 CG GLU C 106 -31.350 93.320 25.621 1.00 51.16 C +ATOM 267 CD GLU C 106 -32.008 94.359 24.724 1.00 57.85 C +ATOM 268 OE1 GLU C 106 -33.208 94.670 24.923 1.00 62.58 O +ATOM 269 OE2 GLU C 106 -31.322 94.867 23.811 1.00 60.36 O +ATOM 270 N LEU C 107 -33.976 90.440 23.524 1.00 24.94 N +ATOM 271 CA LEU C 107 -35.114 89.589 23.207 1.00 26.91 C +ATOM 272 C LEU C 107 -34.664 88.417 22.356 1.00 26.94 C +ATOM 273 O LEU C 107 -35.076 87.270 22.561 1.00 23.17 O +ATOM 274 CB LEU C 107 -36.137 90.394 22.422 1.00 25.05 C +ATOM 275 CG LEU C 107 -37.576 90.532 22.917 1.00 32.13 C +ATOM 276 CD1 LEU C 107 -37.637 90.886 24.387 1.00 30.20 C +ATOM 277 CD2 LEU C 107 -38.308 91.576 22.079 1.00 28.98 C +ATOM 278 N LEU C 108 -33.815 88.716 21.388 1.00 26.90 N +ATOM 279 CA LEU C 108 -33.366 87.699 20.459 1.00 25.57 C +ATOM 280 C LEU C 108 -32.490 86.693 21.165 1.00 24.94 C +ATOM 281 O LEU C 108 -32.696 85.499 21.020 1.00 24.13 O +ATOM 282 CB LEU C 108 -32.641 88.342 19.287 1.00 26.12 C +ATOM 283 CG LEU C 108 -33.643 88.990 18.347 1.00 26.11 C +ATOM 284 CD1 LEU C 108 -32.976 90.115 17.565 1.00 28.82 C +ATOM 285 CD2 LEU C 108 -34.225 87.958 17.426 1.00 23.52 C +ATOM 286 N ALA C 109 -31.533 87.183 21.949 1.00 25.58 N +ATOM 287 CA ALA C 109 -30.607 86.311 22.666 1.00 25.30 C +ATOM 288 C ALA C 109 -31.291 85.484 23.740 1.00 24.82 C +ATOM 289 O ALA C 109 -30.880 84.351 23.997 1.00 29.30 O +ATOM 290 CB ALA C 109 -29.441 87.115 23.276 1.00 27.81 C +ATOM 291 N ALA C 110 -32.307 86.046 24.392 1.00 26.31 N +ATOM 292 CA ALA C 110 -33.052 85.281 25.401 1.00 27.80 C +ATOM 293 C ALA C 110 -33.742 84.099 24.710 1.00 24.36 C +ATOM 294 O ALA C 110 -33.800 82.997 25.241 1.00 27.14 O +ATOM 295 CB ALA C 110 -34.076 86.170 26.137 1.00 23.62 C +ATOM 296 N ALA C 111 -34.220 84.345 23.498 1.00 24.22 N +ATOM 297 CA ALA C 111 -34.964 83.354 22.749 1.00 24.96 C +ATOM 298 C ALA C 111 -34.038 82.381 22.025 1.00 23.68 C +ATOM 299 O ALA C 111 -34.505 81.562 21.243 1.00 22.24 O +ATOM 300 CB ALA C 111 -35.922 84.028 21.780 1.00 21.89 C +ATOM 301 N GLY C 112 -32.737 82.469 22.306 1.00 21.98 N +ATOM 302 CA GLY C 112 -31.773 81.500 21.816 1.00 21.55 C +ATOM 303 C GLY C 112 -31.001 81.921 20.582 1.00 24.42 C +ATOM 304 O GLY C 112 -30.141 81.184 20.094 1.00 25.68 O +ATOM 305 N PHE C 113 -31.296 83.109 20.076 1.00 23.42 N +ATOM 306 CA PHE C 113 -30.710 83.529 18.823 1.00 23.67 C +ATOM 307 C PHE C 113 -29.405 84.280 19.041 1.00 25.44 C +ATOM 308 O PHE C 113 -29.239 85.008 20.023 1.00 23.97 O +ATOM 309 CB PHE C 113 -31.705 84.370 18.025 1.00 21.94 C +ATOM 310 CG PHE C 113 -32.969 83.634 17.670 1.00 21.26 C +ATOM 311 CD1 PHE C 113 -32.982 82.696 16.640 1.00 17.25 C +ATOM 312 CD2 PHE C 113 -34.142 83.873 18.372 1.00 20.13 C +ATOM 313 CE1 PHE C 113 -34.148 82.020 16.312 1.00 20.82 C +ATOM 314 CE2 PHE C 113 -35.311 83.200 18.047 1.00 21.24 C +ATOM 315 CZ PHE C 113 -35.310 82.269 17.016 1.00 19.44 C +ATOM 316 N PHE C 114 -28.470 84.061 18.129 1.00 25.62 N +ATOM 317 CA PHE C 114 -27.256 84.853 18.052 1.00 28.14 C +ATOM 318 C PHE C 114 -27.205 85.495 16.665 1.00 28.82 C +ATOM 319 O PHE C 114 -27.804 84.992 15.712 1.00 27.41 O +ATOM 320 CB PHE C 114 -26.019 83.993 18.340 1.00 25.51 C +ATOM 321 CG PHE C 114 -25.750 82.940 17.303 1.00 29.29 C +ATOM 322 CD1 PHE C 114 -25.052 83.255 16.134 1.00 27.14 C +ATOM 323 CD2 PHE C 114 -26.186 81.633 17.492 1.00 25.84 C +ATOM 324 CE1 PHE C 114 -24.804 82.289 15.177 1.00 25.03 C +ATOM 325 CE2 PHE C 114 -25.939 80.662 16.543 1.00 22.80 C +ATOM 326 CZ PHE C 114 -25.257 80.993 15.375 1.00 24.63 C +ATOM 327 N HIS C 115 -26.523 86.625 16.567 1.00 29.79 N +ATOM 328 CA HIS C 115 -26.359 87.327 15.297 1.00 31.07 C +ATOM 329 C HIS C 115 -25.307 86.612 14.469 1.00 28.87 C +ATOM 330 O HIS C 115 -24.255 86.242 14.997 1.00 26.79 O +ATOM 331 CB HIS C 115 -25.891 88.754 15.577 1.00 33.76 C +ATOM 332 CG HIS C 115 -26.016 89.677 14.409 1.00 35.82 C +ATOM 333 ND1 HIS C 115 -25.362 90.890 14.349 1.00 36.84 N +ATOM 334 CD2 HIS C 115 -26.712 89.565 13.254 1.00 32.22 C +ATOM 335 CE1 HIS C 115 -25.656 91.487 13.209 1.00 33.60 C +ATOM 336 NE2 HIS C 115 -26.472 90.704 12.526 1.00 33.13 N +ATOM 337 N THR C 116 -25.572 86.402 13.183 1.00 33.64 N +ATOM 338 CA THR C 116 -24.568 85.744 12.329 1.00 41.13 C +ATOM 339 C THR C 116 -23.472 86.722 11.916 1.00 46.64 C +ATOM 340 O THR C 116 -22.342 86.315 11.634 1.00 48.66 O +ATOM 341 CB THR C 116 -25.188 85.130 11.075 1.00 35.78 C +ATOM 342 OG1 THR C 116 -25.751 86.180 10.274 1.00 40.10 O +ATOM 343 CG2 THR C 116 -26.374 84.233 11.419 1.00 31.27 C +ATOM 344 N GLY C 117 -23.824 88.007 11.886 1.00 51.35 N +ATOM 345 CA GLY C 117 -22.913 89.070 11.495 1.00 53.56 C +ATOM 346 C GLY C 117 -23.440 89.825 10.289 1.00 55.45 C +ATOM 347 O GLY C 117 -23.158 91.010 10.111 1.00 56.48 O +ATOM 348 N HIS C 118 -24.229 89.132 9.472 1.00 58.48 N +ATOM 349 CA HIS C 118 -24.753 89.687 8.225 1.00 59.48 C +ATOM 350 C HIS C 118 -26.173 90.214 8.397 1.00 57.76 C +ATOM 351 O HIS C 118 -27.097 89.450 8.713 1.00 54.24 O +ATOM 352 CB HIS C 118 -24.701 88.636 7.110 1.00 61.80 C +ATOM 353 CG HIS C 118 -23.386 87.924 7.013 1.00 65.06 C +ATOM 354 ND1 HIS C 118 -22.510 88.119 5.967 1.00 66.78 N +ATOM 355 CD2 HIS C 118 -22.797 87.023 7.835 1.00 65.04 C +ATOM 356 CE1 HIS C 118 -21.438 87.367 6.148 1.00 66.72 C +ATOM 357 NE2 HIS C 118 -21.586 86.694 7.275 1.00 65.83 N +ATOM 358 N GLN C 119 -26.332 91.526 8.196 1.00 54.82 N +ATOM 359 CA GLN C 119 -27.629 92.196 8.286 1.00 49.09 C +ATOM 360 C GLN C 119 -28.303 91.852 9.611 1.00 43.40 C +ATOM 361 O GLN C 119 -27.674 91.917 10.662 1.00 37.48 O +ATOM 362 CB GLN C 119 -28.528 91.828 7.094 1.00 52.32 C +ATOM 363 CG GLN C 119 -27.993 92.267 5.737 1.00 58.34 C +ATOM 364 CD GLN C 119 -27.002 91.275 5.134 1.00 61.08 C +ATOM 365 OE1 GLN C 119 -27.094 90.067 5.371 1.00 61.39 O +ATOM 366 NE2 GLN C 119 -26.053 91.786 4.357 1.00 60.00 N +ATOM 367 N ASP C 120 -29.571 91.464 9.565 1.00 42.69 N +ATOM 368 CA ASP C 120 -30.278 91.099 10.787 1.00 40.93 C +ATOM 369 C ASP C 120 -30.526 89.592 10.901 1.00 40.02 C +ATOM 370 O ASP C 120 -31.519 89.145 11.495 1.00 36.47 O +ATOM 371 CB ASP C 120 -31.574 91.900 10.918 1.00 38.07 C +ATOM 372 CG ASP C 120 -32.590 91.566 9.839 1.00 41.56 C +ATOM 373 OD1 ASP C 120 -32.230 90.931 8.815 1.00 40.96 O +ATOM 374 OD2 ASP C 120 -33.789 91.912 9.946 1.00 46.57 O +ATOM 375 N LYS C 121 -29.609 88.815 10.334 1.00 34.62 N +ATOM 376 CA LYS C 121 -29.747 87.368 10.321 1.00 32.13 C +ATOM 377 C LYS C 121 -29.355 86.801 11.658 1.00 29.82 C +ATOM 378 O LYS C 121 -28.305 87.142 12.206 1.00 26.51 O +ATOM 379 CB LYS C 121 -28.905 86.741 9.209 1.00 30.11 C +ATOM 380 CG LYS C 121 -29.438 87.029 7.828 1.00 31.64 C +ATOM 381 CD LYS C 121 -28.495 86.525 6.744 1.00 35.98 C +ATOM 382 CE LYS C 121 -28.704 87.330 5.464 1.00 38.63 C +ATOM 383 NZ LYS C 121 -28.922 86.454 4.291 1.00 42.69 N +ATOM 384 N VAL C 122 -30.217 85.949 12.201 1.00 29.14 N +ATOM 385 CA VAL C 122 -29.897 85.258 13.450 1.00 23.41 C +ATOM 386 C VAL C 122 -30.038 83.761 13.258 1.00 24.33 C +ATOM 387 O VAL C 122 -30.743 83.302 12.363 1.00 26.93 O +ATOM 388 CB VAL C 122 -30.804 85.703 14.639 1.00 24.87 C +ATOM 389 CG1 VAL C 122 -30.599 87.175 14.977 1.00 25.79 C +ATOM 390 CG2 VAL C 122 -32.272 85.407 14.357 1.00 24.62 C +ATOM 391 N ARG C 123 -29.363 83.008 14.111 1.00 22.80 N +ATOM 392 CA ARG C 123 -29.550 81.583 14.178 1.00 21.00 C +ATOM 393 C ARG C 123 -29.700 81.206 15.626 1.00 24.49 C +ATOM 394 O ARG C 123 -29.146 81.860 16.521 1.00 23.12 O +ATOM 395 CB ARG C 123 -28.358 80.860 13.572 1.00 23.90 C +ATOM 396 CG ARG C 123 -28.319 80.956 12.049 1.00 27.09 C +ATOM 397 CD ARG C 123 -27.985 79.665 11.403 1.00 32.35 C +ATOM 398 NE ARG C 123 -27.682 79.793 9.985 1.00 32.72 N +ATOM 399 CZ ARG C 123 -28.412 79.246 9.034 1.00 33.51 C +ATOM 400 NH1 ARG C 123 -29.502 78.538 9.353 1.00 29.33 N +ATOM 401 NH2 ARG C 123 -28.058 79.405 7.762 1.00 29.53 N +ATOM 402 N CYS C 124 -30.460 80.149 15.857 1.00 20.18 N +ATOM 403 CA CYS C 124 -30.595 79.607 17.186 1.00 18.91 C +ATOM 404 C CYS C 124 -29.369 78.761 17.492 1.00 22.19 C +ATOM 405 O CYS C 124 -28.956 77.953 16.672 1.00 23.05 O +ATOM 406 CB CYS C 124 -31.857 78.762 17.262 1.00 16.79 C +ATOM 407 SG CYS C 124 -32.036 77.930 18.843 1.00 19.29 S +ATOM 408 N PHE C 125 -28.799 78.928 18.682 1.00 20.02 N +ATOM 409 CA PHE C 125 -27.620 78.168 19.050 1.00 20.43 C +ATOM 410 C PHE C 125 -27.939 76.690 19.085 1.00 22.04 C +ATOM 411 O PHE C 125 -27.046 75.852 18.924 1.00 22.99 O +ATOM 412 CB PHE C 125 -27.099 78.607 20.419 1.00 18.87 C +ATOM 413 CG PHE C 125 -27.793 77.935 21.577 1.00 20.24 C +ATOM 414 CD1 PHE C 125 -28.966 78.462 22.096 1.00 17.58 C +ATOM 415 CD2 PHE C 125 -27.270 76.778 22.141 1.00 19.99 C +ATOM 416 CE1 PHE C 125 -29.606 77.858 23.171 1.00 21.11 C +ATOM 417 CE2 PHE C 125 -27.902 76.163 23.208 1.00 20.18 C +ATOM 418 CZ PHE C 125 -29.082 76.698 23.724 1.00 20.01 C +ATOM 419 N PHE C 126 -29.202 76.361 19.341 1.00 19.43 N +ATOM 420 CA PHE C 126 -29.546 74.950 19.503 1.00 20.78 C +ATOM 421 C PHE C 126 -29.970 74.244 18.214 1.00 19.55 C +ATOM 422 O PHE C 126 -29.328 73.277 17.799 1.00 21.09 O +ATOM 423 CB PHE C 126 -30.587 74.708 20.600 1.00 19.80 C +ATOM 424 CG PHE C 126 -30.672 73.276 20.987 1.00 22.43 C +ATOM 425 CD1 PHE C 126 -31.371 72.372 20.193 1.00 21.05 C +ATOM 426 CD2 PHE C 126 -29.964 72.800 22.088 1.00 21.69 C +ATOM 427 CE1 PHE C 126 -31.389 71.025 20.515 1.00 22.36 C +ATOM 428 CE2 PHE C 126 -29.990 71.460 22.425 1.00 21.26 C +ATOM 429 CZ PHE C 126 -30.703 70.565 21.638 1.00 22.94 C +ATOM 430 N CYS C 127 -31.066 74.708 17.624 1.00 17.73 N +ATOM 431 CA CYS C 127 -31.631 74.092 16.430 1.00 18.87 C +ATOM 432 C CYS C 127 -31.037 74.700 15.164 1.00 20.60 C +ATOM 433 O CYS C 127 -31.256 74.186 14.087 1.00 22.24 O +ATOM 434 CB CYS C 127 -33.149 74.240 16.426 1.00 17.00 C +ATOM 435 SG CYS C 127 -33.716 75.931 16.138 1.00 19.46 S +ATOM 436 N TYR C 128 -30.285 75.796 15.312 1.00 21.07 N +ATOM 437 CA TYR C 128 -29.636 76.471 14.181 1.00 23.26 C +ATOM 438 C TYR C 128 -30.635 77.100 13.212 1.00 25.24 C +ATOM 439 O TYR C 128 -30.273 77.473 12.088 1.00 20.56 O +ATOM 440 CB TYR C 128 -28.662 75.526 13.443 1.00 22.28 C +ATOM 441 CG TYR C 128 -27.477 76.228 12.833 1.00 26.71 C +ATOM 442 CD1 TYR C 128 -26.556 76.902 13.630 1.00 26.41 C +ATOM 443 CD2 TYR C 128 -27.281 76.234 11.450 1.00 29.30 C +ATOM 444 CE1 TYR C 128 -25.479 77.558 13.072 1.00 29.55 C +ATOM 445 CE2 TYR C 128 -26.195 76.880 10.881 1.00 26.63 C +ATOM 446 CZ TYR C 128 -25.294 77.538 11.702 1.00 31.59 C +ATOM 447 OH TYR C 128 -24.211 78.190 11.156 1.00 35.57 O +ATOM 448 N GLY C 129 -31.890 77.214 13.655 1.00 20.05 N +ATOM 449 CA GLY C 129 -32.915 77.881 12.879 1.00 17.02 C +ATOM 450 C GLY C 129 -32.514 79.311 12.570 1.00 21.59 C +ATOM 451 O GLY C 129 -32.091 80.037 13.452 1.00 20.01 O +ATOM 452 N GLY C 130 -32.634 79.708 11.308 1.00 23.85 N +ATOM 453 CA GLY C 130 -32.194 81.023 10.889 1.00 20.26 C +ATOM 454 C GLY C 130 -33.346 81.923 10.518 1.00 22.60 C +ATOM 455 O GLY C 130 -34.247 81.538 9.766 1.00 22.97 O +ATOM 456 N LEU C 131 -33.315 83.134 11.055 1.00 20.18 N +ATOM 457 CA LEU C 131 -34.364 84.096 10.790 1.00 21.37 C +ATOM 458 C LEU C 131 -33.767 85.453 10.525 1.00 21.58 C +ATOM 459 O LEU C 131 -32.697 85.796 11.033 1.00 23.34 O +ATOM 460 CB LEU C 131 -35.310 84.184 11.984 1.00 25.28 C +ATOM 461 CG LEU C 131 -36.154 82.935 12.272 1.00 25.94 C +ATOM 462 CD1 LEU C 131 -36.847 83.076 13.622 1.00 19.84 C +ATOM 463 CD2 LEU C 131 -37.157 82.694 11.133 1.00 26.31 C +ATOM 464 N GLN C 132 -34.474 86.226 9.726 1.00 27.27 N +ATOM 465 CA GLN C 132 -34.049 87.581 9.393 1.00 30.37 C +ATOM 466 C GLN C 132 -35.289 88.389 9.114 1.00 29.78 C +ATOM 467 O GLN C 132 -36.398 87.863 9.231 1.00 29.69 O +ATOM 468 CB GLN C 132 -33.127 87.565 8.164 1.00 26.11 C +ATOM 469 CG GLN C 132 -33.810 87.155 6.892 1.00 27.70 C +ATOM 470 CD GLN C 132 -32.826 86.807 5.794 1.00 34.25 C +ATOM 471 OE1 GLN C 132 -32.043 85.856 5.918 1.00 35.76 O +ATOM 472 NE2 GLN C 132 -32.859 87.575 4.723 1.00 33.64 N +ATOM 473 N SER C 133 -35.097 89.650 8.713 1.00 34.42 N +ATOM 474 CA SER C 133 -36.189 90.575 8.392 1.00 34.49 C +ATOM 475 C SER C 133 -37.085 90.782 9.598 1.00 34.64 C +ATOM 476 O SER C 133 -38.311 90.767 9.484 1.00 37.65 O +ATOM 477 CB SER C 133 -37.018 90.106 7.188 1.00 34.51 C +ATOM 478 OG SER C 133 -36.199 89.588 6.158 1.00 44.51 O +ATOM 479 N TRP C 134 -36.449 90.958 10.748 1.00 36.56 N +ATOM 480 CA TRP C 134 -37.137 91.231 11.997 1.00 40.83 C +ATOM 481 C TRP C 134 -37.796 92.610 11.908 1.00 48.91 C +ATOM 482 O TRP C 134 -37.189 93.577 11.429 1.00 49.10 O +ATOM 483 CB TRP C 134 -36.148 91.166 13.164 1.00 36.26 C +ATOM 484 CG TRP C 134 -35.602 89.782 13.366 1.00 35.45 C +ATOM 485 CD1 TRP C 134 -34.461 89.256 12.817 1.00 35.30 C +ATOM 486 CD2 TRP C 134 -36.190 88.734 14.139 1.00 33.47 C +ATOM 487 NE1 TRP C 134 -34.304 87.948 13.207 1.00 33.61 N +ATOM 488 CE2 TRP C 134 -35.353 87.598 14.017 1.00 33.23 C +ATOM 489 CE3 TRP C 134 -37.350 88.630 14.920 1.00 29.74 C +ATOM 490 CZ2 TRP C 134 -35.634 86.388 14.657 1.00 27.55 C +ATOM 491 CZ3 TRP C 134 -37.618 87.423 15.563 1.00 27.44 C +ATOM 492 CH2 TRP C 134 -36.771 86.320 15.417 1.00 26.82 C +ATOM 493 N LYS C 135 -39.050 92.675 12.333 1.00 51.29 N +ATOM 494 CA LYS C 135 -39.796 93.923 12.353 1.00 53.89 C +ATOM 495 C LYS C 135 -40.286 94.201 13.764 1.00 53.80 C +ATOM 496 O LYS C 135 -40.414 93.276 14.575 1.00 49.28 O +ATOM 497 CB LYS C 135 -40.980 93.852 11.388 1.00 57.57 C +ATOM 498 CG LYS C 135 -40.620 94.128 9.933 1.00 61.85 C +ATOM 499 CD LYS C 135 -41.348 93.171 9.002 1.00 64.48 C +ATOM 500 CE LYS C 135 -41.035 93.469 7.545 1.00 66.91 C +ATOM 501 NZ LYS C 135 -40.224 92.380 6.931 1.00 67.90 N +ATOM 502 N ARG C 136 -40.549 95.477 14.050 1.00 54.43 N +ATOM 503 CA ARG C 136 -41.168 95.903 15.305 1.00 54.20 C +ATOM 504 C ARG C 136 -42.381 95.021 15.583 1.00 44.87 C +ATOM 505 O ARG C 136 -43.190 94.763 14.688 1.00 41.57 O +ATOM 506 CB ARG C 136 -41.589 97.379 15.227 1.00 60.43 C +ATOM 507 CG ARG C 136 -41.326 98.197 16.495 1.00 65.86 C +ATOM 508 CD ARG C 136 -41.347 99.715 16.268 1.00 71.83 C +ATOM 509 NE ARG C 136 -42.094 100.459 17.291 1.00 75.81 N +ATOM 510 CZ ARG C 136 -43.426 100.588 17.334 1.00 78.16 C +ATOM 511 NH1 ARG C 136 -44.203 100.012 16.419 1.00 77.13 N +ATOM 512 NH2 ARG C 136 -43.988 101.297 18.307 1.00 78.56 N +ATOM 513 N GLY C 137 -42.475 94.524 16.810 1.00 41.89 N +ATOM 514 CA GLY C 137 -43.595 93.686 17.197 1.00 42.05 C +ATOM 515 C GLY C 137 -43.380 92.191 17.041 1.00 40.46 C +ATOM 516 O GLY C 137 -44.225 91.400 17.463 1.00 45.61 O +ATOM 517 N ASP C 138 -42.271 91.800 16.424 1.00 36.12 N +ATOM 518 CA ASP C 138 -41.912 90.389 16.328 1.00 34.16 C +ATOM 519 C ASP C 138 -41.528 89.870 17.697 1.00 31.35 C +ATOM 520 O ASP C 138 -40.749 90.497 18.425 1.00 27.75 O +ATOM 521 CB ASP C 138 -40.741 90.177 15.376 1.00 35.85 C +ATOM 522 CG ASP C 138 -41.163 90.177 13.928 1.00 38.19 C +ATOM 523 OD1 ASP C 138 -42.383 90.182 13.654 1.00 37.31 O +ATOM 524 OD2 ASP C 138 -40.337 90.176 12.992 1.00 40.40 O +ATOM 525 N ASP C 139 -42.092 88.726 18.058 1.00 27.38 N +ATOM 526 CA ASP C 139 -41.690 88.084 19.293 1.00 24.70 C +ATOM 527 C ASP C 139 -40.779 86.906 18.965 1.00 24.86 C +ATOM 528 O ASP C 139 -41.227 85.910 18.410 1.00 26.36 O +ATOM 529 CB ASP C 139 -42.905 87.655 20.124 1.00 22.82 C +ATOM 530 CG ASP C 139 -42.508 87.139 21.494 1.00 20.40 C +ATOM 531 OD1 ASP C 139 -41.429 86.554 21.699 1.00 25.92 O +ATOM 532 OD2 ASP C 139 -43.271 87.314 22.468 1.00 26.51 O +ATOM 533 N PRO C 140 -39.493 87.032 19.283 1.00 26.24 N +ATOM 534 CA PRO C 140 -38.518 85.978 18.978 1.00 23.56 C +ATOM 535 C PRO C 140 -38.874 84.595 19.535 1.00 23.92 C +ATOM 536 O PRO C 140 -38.540 83.608 18.885 1.00 25.76 O +ATOM 537 CB PRO C 140 -37.214 86.527 19.581 1.00 22.89 C +ATOM 538 CG PRO C 140 -37.410 88.008 19.511 1.00 22.62 C +ATOM 539 CD PRO C 140 -38.849 88.202 19.907 1.00 23.58 C +ATOM 540 N TRP C 141 -39.538 84.510 20.685 1.00 22.28 N +ATOM 541 CA TRP C 141 -39.990 83.206 21.192 1.00 19.78 C +ATOM 542 C TRP C 141 -41.081 82.633 20.302 1.00 17.58 C +ATOM 543 O TRP C 141 -41.073 81.454 19.970 1.00 19.75 O +ATOM 544 CB TRP C 141 -40.546 83.334 22.612 1.00 17.97 C +ATOM 545 CG TRP C 141 -39.509 83.471 23.634 1.00 18.48 C +ATOM 546 CD1 TRP C 141 -39.301 84.546 24.447 1.00 18.71 C +ATOM 547 CD2 TRP C 141 -38.527 82.500 23.994 1.00 19.09 C +ATOM 548 NE1 TRP C 141 -38.248 84.300 25.290 1.00 19.08 N +ATOM 549 CE2 TRP C 141 -37.754 83.050 25.030 1.00 18.85 C +ATOM 550 CE3 TRP C 141 -38.210 81.217 23.535 1.00 19.28 C +ATOM 551 CZ2 TRP C 141 -36.702 82.360 25.627 1.00 23.80 C +ATOM 552 CZ3 TRP C 141 -37.160 80.543 24.125 1.00 18.38 C +ATOM 553 CH2 TRP C 141 -36.425 81.112 25.161 1.00 18.95 C +ATOM 554 N THR C 142 -42.021 83.486 19.928 1.00 17.18 N +ATOM 555 CA THR C 142 -43.128 83.100 19.064 1.00 19.86 C +ATOM 556 C THR C 142 -42.615 82.711 17.696 1.00 21.26 C +ATOM 557 O THR C 142 -43.044 81.703 17.127 1.00 20.21 O +ATOM 558 CB THR C 142 -44.081 84.264 18.950 1.00 18.95 C +ATOM 559 OG1 THR C 142 -44.557 84.584 20.262 1.00 19.42 O +ATOM 560 CG2 THR C 142 -45.336 83.886 18.171 1.00 20.08 C +ATOM 561 N GLU C 143 -41.676 83.501 17.183 1.00 19.92 N +ATOM 562 CA GLU C 143 -41.074 83.234 15.883 1.00 21.86 C +ATOM 563 C GLU C 143 -40.315 81.907 15.948 1.00 19.74 C +ATOM 564 O GLU C 143 -40.399 81.088 15.041 1.00 21.50 O +ATOM 565 CB GLU C 143 -40.140 84.375 15.479 1.00 22.99 C +ATOM 566 CG GLU C 143 -40.848 85.665 15.101 1.00 22.96 C +ATOM 567 CD GLU C 143 -41.956 85.456 14.078 1.00 29.25 C +ATOM 568 OE1 GLU C 143 -41.675 84.931 12.987 1.00 30.17 O +ATOM 569 OE2 GLU C 143 -43.117 85.813 14.358 1.00 32.99 O +ATOM 570 N HIS C 144 -39.603 81.700 17.049 1.00 17.95 N +ATOM 571 CA HIS C 144 -38.882 80.463 17.289 1.00 16.57 C +ATOM 572 C HIS C 144 -39.843 79.266 17.231 1.00 19.53 C +ATOM 573 O HIS C 144 -39.561 78.260 16.582 1.00 21.93 O +ATOM 574 CB HIS C 144 -38.166 80.545 18.646 1.00 15.14 C +ATOM 575 CG HIS C 144 -36.929 79.707 18.731 1.00 17.27 C +ATOM 576 ND1 HIS C 144 -35.863 80.045 19.533 1.00 15.81 N +ATOM 577 CD2 HIS C 144 -36.597 78.534 18.136 1.00 16.01 C +ATOM 578 CE1 HIS C 144 -34.917 79.134 19.412 1.00 18.72 C +ATOM 579 NE2 HIS C 144 -35.337 78.205 18.571 1.00 17.12 N +ATOM 580 N ALA C 145 -41.004 79.400 17.861 1.00 17.46 N +ATOM 581 CA ALA C 145 -41.995 78.317 17.874 1.00 18.76 C +ATOM 582 C ALA C 145 -42.685 78.127 16.537 1.00 18.08 C +ATOM 583 O ALA C 145 -43.081 77.020 16.183 1.00 17.71 O +ATOM 584 CB ALA C 145 -43.025 78.556 18.974 1.00 13.53 C +ATOM 585 N LYS C 146 -42.833 79.218 15.800 1.00 15.58 N +ATOM 586 CA LYS C 146 -43.493 79.186 14.515 1.00 19.06 C +ATOM 587 C LYS C 146 -42.674 78.393 13.506 1.00 19.86 C +ATOM 588 O LYS C 146 -43.220 77.601 12.728 1.00 21.79 O +ATOM 589 CB LYS C 146 -43.726 80.620 14.036 1.00 27.57 C +ATOM 590 CG LYS C 146 -44.405 80.758 12.690 1.00 36.70 C +ATOM 591 CD LYS C 146 -44.630 82.234 12.327 1.00 41.41 C +ATOM 592 CE LYS C 146 -44.803 82.381 10.808 1.00 49.92 C +ATOM 593 NZ LYS C 146 -45.142 83.765 10.352 1.00 52.92 N +ATOM 594 N TRP C 147 -41.364 78.590 13.535 1.00 18.43 N +ATOM 595 CA TRP C 147 -40.496 78.058 12.485 1.00 18.68 C +ATOM 596 C TRP C 147 -39.735 76.824 12.880 1.00 15.21 C +ATOM 597 O TRP C 147 -39.396 76.007 12.026 1.00 18.27 O +ATOM 598 CB TRP C 147 -39.500 79.121 12.038 1.00 16.67 C +ATOM 599 CG TRP C 147 -40.178 80.306 11.427 1.00 22.44 C +ATOM 600 CD1 TRP C 147 -40.289 81.556 11.962 1.00 18.10 C +ATOM 601 CD2 TRP C 147 -40.851 80.345 10.169 1.00 23.57 C +ATOM 602 NE1 TRP C 147 -40.993 82.370 11.113 1.00 22.33 N +ATOM 603 CE2 TRP C 147 -41.343 81.652 9.998 1.00 22.80 C +ATOM 604 CE3 TRP C 147 -41.084 79.401 9.157 1.00 23.28 C +ATOM 605 CZ2 TRP C 147 -42.047 82.046 8.856 1.00 26.10 C +ATOM 606 CZ3 TRP C 147 -41.788 79.789 8.019 1.00 25.98 C +ATOM 607 CH2 TRP C 147 -42.264 81.103 7.880 1.00 24.97 C +ATOM 608 N PHE C 148 -39.451 76.694 14.173 1.00 14.30 N +ATOM 609 CA PHE C 148 -38.621 75.601 14.659 1.00 16.30 C +ATOM 610 C PHE C 148 -39.258 74.908 15.864 1.00 18.12 C +ATOM 611 O PHE C 148 -38.682 74.880 16.937 1.00 13.81 O +ATOM 612 CB PHE C 148 -37.213 76.130 14.956 1.00 17.53 C +ATOM 613 CG PHE C 148 -36.733 77.125 13.936 1.00 16.10 C +ATOM 614 CD1 PHE C 148 -36.492 76.730 12.617 1.00 17.77 C +ATOM 615 CD2 PHE C 148 -36.545 78.453 14.281 1.00 19.27 C +ATOM 616 CE1 PHE C 148 -36.080 77.661 11.656 1.00 14.69 C +ATOM 617 CE2 PHE C 148 -36.104 79.384 13.340 1.00 17.35 C +ATOM 618 CZ PHE C 148 -35.893 78.988 12.019 1.00 18.45 C +ATOM 619 N PRO C 149 -40.452 74.352 15.663 1.00 16.49 N +ATOM 620 CA PRO C 149 -41.259 73.813 16.759 1.00 19.19 C +ATOM 621 C PRO C 149 -40.579 72.709 17.554 1.00 20.25 C +ATOM 622 O PRO C 149 -40.888 72.529 18.733 1.00 18.30 O +ATOM 623 CB PRO C 149 -42.522 73.275 16.052 1.00 14.40 C +ATOM 624 CG PRO C 149 -42.158 73.160 14.591 1.00 13.10 C +ATOM 625 CD PRO C 149 -41.137 74.227 14.361 1.00 18.83 C +ATOM 626 N SER C 150 -39.639 72.002 16.945 1.00 18.63 N +ATOM 627 CA SER C 150 -39.031 70.890 17.648 1.00 22.03 C +ATOM 628 C SER C 150 -37.693 71.259 18.298 1.00 18.79 C +ATOM 629 O SER C 150 -37.005 70.420 18.850 1.00 20.51 O +ATOM 630 CB SER C 150 -38.947 69.667 16.727 1.00 21.04 C +ATOM 631 OG SER C 150 -37.815 69.753 15.897 1.00 36.55 O +ATOM 632 N CYS C 151 -37.337 72.535 18.244 1.00 17.10 N +ATOM 633 CA CYS C 151 -36.122 72.996 18.886 1.00 18.43 C +ATOM 634 C CYS C 151 -36.196 72.683 20.377 1.00 20.28 C +ATOM 635 O CYS C 151 -37.124 73.132 21.064 1.00 15.86 O +ATOM 636 CB CYS C 151 -35.963 74.504 18.725 1.00 15.27 C +ATOM 637 SG CYS C 151 -34.537 75.055 19.683 1.00 17.67 S +ATOM 638 N GLN C 152 -35.228 71.930 20.880 1.00 18.08 N +ATOM 639 CA GLN C 152 -35.305 71.464 22.261 1.00 22.21 C +ATOM 640 C GLN C 152 -34.983 72.554 23.273 1.00 23.62 C +ATOM 641 O GLN C 152 -35.394 72.473 24.430 1.00 21.32 O +ATOM 642 CB GLN C 152 -34.386 70.276 22.496 1.00 24.63 C +ATOM 643 CG GLN C 152 -34.932 68.952 22.025 1.00 31.04 C +ATOM 644 CD GLN C 152 -33.805 67.988 21.731 1.00 38.08 C +ATOM 645 OE1 GLN C 152 -33.440 67.176 22.581 1.00 37.92 O +ATOM 646 NE2 GLN C 152 -33.222 68.101 20.538 1.00 40.44 N +ATOM 647 N PHE C 153 -34.235 73.563 22.845 1.00 21.83 N +ATOM 648 CA PHE C 153 -34.013 74.716 23.695 1.00 22.17 C +ATOM 649 C PHE C 153 -35.324 75.463 23.860 1.00 22.33 C +ATOM 650 O PHE C 153 -35.701 75.837 24.967 1.00 23.34 O +ATOM 651 CB PHE C 153 -32.989 75.671 23.096 1.00 18.72 C +ATOM 652 CG PHE C 153 -32.963 77.011 23.780 1.00 20.59 C +ATOM 653 CD1 PHE C 153 -32.382 77.149 25.047 1.00 21.70 C +ATOM 654 CD2 PHE C 153 -33.561 78.116 23.193 1.00 19.57 C +ATOM 655 CE1 PHE C 153 -32.358 78.380 25.693 1.00 17.70 C +ATOM 656 CE2 PHE C 153 -33.541 79.352 23.832 1.00 19.41 C +ATOM 657 CZ PHE C 153 -32.934 79.478 25.086 1.00 18.50 C +ATOM 658 N LEU C 154 -35.995 75.692 22.735 1.00 18.88 N +ATOM 659 CA LEU C 154 -37.285 76.344 22.723 1.00 18.14 C +ATOM 660 C LEU C 154 -38.256 75.561 23.597 1.00 18.32 C +ATOM 661 O LEU C 154 -38.924 76.143 24.434 1.00 14.92 O +ATOM 662 CB LEU C 154 -37.829 76.460 21.284 1.00 17.66 C +ATOM 663 CG LEU C 154 -39.321 76.773 21.127 1.00 19.53 C +ATOM 664 CD1 LEU C 154 -39.650 78.172 21.696 1.00 14.06 C +ATOM 665 CD2 LEU C 154 -39.733 76.670 19.670 1.00 17.99 C +ATOM 666 N LEU C 155 -38.332 74.246 23.396 1.00 16.08 N +ATOM 667 CA LEU C 155 -39.280 73.418 24.143 1.00 17.39 C +ATOM 668 C LEU C 155 -38.977 73.362 25.642 1.00 16.91 C +ATOM 669 O LEU C 155 -39.883 73.434 26.460 1.00 18.32 O +ATOM 670 CB LEU C 155 -39.345 72.002 23.555 1.00 16.41 C +ATOM 671 CG LEU C 155 -40.049 71.918 22.191 1.00 21.57 C +ATOM 672 CD1 LEU C 155 -39.762 70.577 21.535 1.00 15.77 C +ATOM 673 CD2 LEU C 155 -41.566 72.122 22.345 1.00 18.12 C +ATOM 674 N ARG C 156 -37.701 73.263 25.991 1.00 20.34 N +ATOM 675 CA ARG C 156 -37.286 73.241 27.388 1.00 24.90 C +ATOM 676 C ARG C 156 -37.690 74.539 28.074 1.00 20.87 C +ATOM 677 O ARG C 156 -38.205 74.522 29.187 1.00 21.07 O +ATOM 678 CB ARG C 156 -35.777 73.040 27.502 1.00 31.29 C +ATOM 679 CG ARG C 156 -35.361 71.593 27.684 1.00 49.56 C +ATOM 680 CD ARG C 156 -34.892 71.258 29.098 1.00 62.05 C +ATOM 681 NE ARG C 156 -33.442 71.067 29.180 1.00 70.93 N +ATOM 682 CZ ARG C 156 -32.557 72.028 29.454 1.00 76.58 C +ATOM 683 NH1 ARG C 156 -32.953 73.281 29.674 1.00 75.58 N +ATOM 684 NH2 ARG C 156 -31.262 71.731 29.508 1.00 78.20 N +ATOM 685 N SER C 157 -37.469 75.656 27.385 1.00 18.71 N +ATOM 686 CA SER C 157 -37.753 76.977 27.918 1.00 19.03 C +ATOM 687 C SER C 157 -39.240 77.226 28.012 1.00 20.94 C +ATOM 688 O SER C 157 -39.746 77.627 29.065 1.00 18.80 O +ATOM 689 CB SER C 157 -37.134 78.064 27.030 1.00 18.12 C +ATOM 690 OG SER C 157 -35.732 77.936 26.953 1.00 22.71 O +ATOM 691 N LYS C 158 -39.943 76.982 26.906 1.00 18.99 N +ATOM 692 CA LYS C 158 -41.300 77.488 26.763 1.00 17.46 C +ATOM 693 C LYS C 158 -42.380 76.427 26.825 1.00 16.65 C +ATOM 694 O LYS C 158 -43.564 76.740 27.031 1.00 16.56 O +ATOM 695 CB LYS C 158 -41.408 78.307 25.478 1.00 20.49 C +ATOM 696 CG LYS C 158 -40.589 79.615 25.526 1.00 21.22 C +ATOM 697 CD LYS C 158 -40.856 80.393 26.830 1.00 18.72 C +ATOM 698 CE LYS C 158 -40.135 81.740 26.865 1.00 22.12 C +ATOM 699 NZ LYS C 158 -40.102 82.316 28.266 1.00 22.74 N +ATOM 700 N GLY C 159 -41.977 75.176 26.627 1.00 18.11 N +ATOM 701 CA GLY C 159 -42.902 74.065 26.739 1.00 19.42 C +ATOM 702 C GLY C 159 -43.613 73.737 25.441 1.00 22.78 C +ATOM 703 O GLY C 159 -43.640 74.537 24.502 1.00 18.00 O +ATOM 704 N ARG C 160 -44.196 72.543 25.429 1.00 20.44 N +ATOM 705 CA ARG C 160 -44.900 71.960 24.301 1.00 25.45 C +ATOM 706 C ARG C 160 -46.189 72.709 23.982 1.00 21.58 C +ATOM 707 O ARG C 160 -46.503 72.950 22.808 1.00 21.77 O +ATOM 708 CB ARG C 160 -45.245 70.518 24.681 1.00 33.16 C +ATOM 709 CG ARG C 160 -45.595 69.566 23.569 1.00 44.28 C +ATOM 710 CD ARG C 160 -45.073 68.145 23.832 1.00 52.99 C +ATOM 711 NE ARG C 160 -43.616 68.160 23.975 1.00 58.64 N +ATOM 712 CZ ARG C 160 -42.820 67.097 23.885 1.00 64.12 C +ATOM 713 NH1 ARG C 160 -43.321 65.879 23.663 1.00 62.73 N +ATOM 714 NH2 ARG C 160 -41.507 67.258 24.030 1.00 65.75 N +ATOM 715 N ASP C 161 -46.953 73.050 25.022 1.00 17.46 N +ATOM 716 CA ASP C 161 -48.243 73.696 24.837 1.00 20.07 C +ATOM 717 C ASP C 161 -48.074 75.020 24.125 1.00 20.03 C +ATOM 718 O ASP C 161 -48.865 75.364 23.257 1.00 24.78 O +ATOM 719 CB ASP C 161 -48.945 73.959 26.168 1.00 25.95 C +ATOM 720 CG ASP C 161 -49.318 72.684 26.911 1.00 33.94 C +ATOM 721 OD1 ASP C 161 -49.101 71.556 26.401 1.00 34.20 O +ATOM 722 OD2 ASP C 161 -49.836 72.729 28.044 1.00 37.57 O +ATOM 723 N PHE C 162 -47.064 75.783 24.522 1.00 17.84 N +ATOM 724 CA PHE C 162 -46.831 77.066 23.896 1.00 16.91 C +ATOM 725 C PHE C 162 -46.484 76.882 22.417 1.00 18.62 C +ATOM 726 O PHE C 162 -46.987 77.613 21.562 1.00 17.49 O +ATOM 727 CB PHE C 162 -45.719 77.838 24.615 1.00 21.54 C +ATOM 728 CG PHE C 162 -45.220 79.010 23.846 1.00 24.99 C +ATOM 729 CD1 PHE C 162 -45.939 80.200 23.832 1.00 25.11 C +ATOM 730 CD2 PHE C 162 -44.058 78.913 23.091 1.00 20.53 C +ATOM 731 CE1 PHE C 162 -45.492 81.288 23.102 1.00 26.01 C +ATOM 732 CE2 PHE C 162 -43.608 79.995 22.361 1.00 24.10 C +ATOM 733 CZ PHE C 162 -44.326 81.185 22.367 1.00 23.29 C +ATOM 734 N VAL C 163 -45.619 75.914 22.122 1.00 18.49 N +ATOM 735 CA VAL C 163 -45.216 75.661 20.741 1.00 21.11 C +ATOM 736 C VAL C 163 -46.412 75.190 19.910 1.00 26.91 C +ATOM 737 O VAL C 163 -46.634 75.660 18.781 1.00 23.79 O +ATOM 738 CB VAL C 163 -44.064 74.641 20.661 1.00 18.50 C +ATOM 739 CG1 VAL C 163 -43.785 74.306 19.225 1.00 16.39 C +ATOM 740 CG2 VAL C 163 -42.805 75.238 21.283 1.00 17.33 C +ATOM 741 N HIS C 164 -47.182 74.267 20.484 1.00 23.78 N +ATOM 742 CA HIS C 164 -48.392 73.778 19.849 1.00 26.86 C +ATOM 743 C HIS C 164 -49.374 74.917 19.595 1.00 29.37 C +ATOM 744 O HIS C 164 -49.911 75.031 18.500 1.00 28.95 O +ATOM 745 CB HIS C 164 -49.025 72.686 20.706 1.00 32.86 C +ATOM 746 CG HIS C 164 -50.278 72.127 20.127 1.00 40.45 C +ATOM 747 ND1 HIS C 164 -51.530 72.507 20.563 1.00 44.60 N +ATOM 748 CD2 HIS C 164 -50.478 71.230 19.135 1.00 42.30 C +ATOM 749 CE1 HIS C 164 -52.448 71.860 19.867 1.00 46.51 C +ATOM 750 NE2 HIS C 164 -51.836 71.076 18.998 1.00 44.71 N +ATOM 751 N SER C 165 -49.586 75.781 20.589 1.00 25.90 N +ATOM 752 CA SER C 165 -50.469 76.929 20.398 1.00 27.83 C +ATOM 753 C SER C 165 -50.000 77.809 19.220 1.00 31.71 C +ATOM 754 O SER C 165 -50.793 78.166 18.341 1.00 30.79 O +ATOM 755 CB SER C 165 -50.567 77.740 21.679 1.00 28.10 C +ATOM 756 OG SER C 165 -51.220 78.960 21.440 1.00 40.36 O +ATOM 757 N VAL C 166 -48.710 78.143 19.205 1.00 27.49 N +ATOM 758 CA VAL C 166 -48.148 78.960 18.143 1.00 27.15 C +ATOM 759 C VAL C 166 -48.263 78.251 16.790 1.00 27.84 C +ATOM 760 O VAL C 166 -48.638 78.876 15.793 1.00 30.65 O +ATOM 761 CB VAL C 166 -46.684 79.343 18.428 1.00 25.58 C +ATOM 762 CG1 VAL C 166 -46.008 79.929 17.171 1.00 21.84 C +ATOM 763 CG2 VAL C 166 -46.614 80.328 19.587 1.00 21.21 C +ATOM 764 N GLN C 167 -47.969 76.954 16.767 1.00 26.87 N +ATOM 765 CA GLN C 167 -48.050 76.174 15.536 1.00 31.03 C +ATOM 766 C GLN C 167 -49.466 76.206 14.962 1.00 37.33 C +ATOM 767 O GLN C 167 -49.645 76.309 13.747 1.00 35.55 O +ATOM 768 CB GLN C 167 -47.580 74.726 15.739 1.00 26.43 C +ATOM 769 CG GLN C 167 -46.052 74.517 15.689 1.00 29.51 C +ATOM 770 CD GLN C 167 -45.429 74.785 14.310 1.00 33.33 C +ATOM 771 OE1 GLN C 167 -45.732 74.087 13.344 1.00 35.25 O +ATOM 772 NE2 GLN C 167 -44.553 75.792 14.227 1.00 25.99 N +ATOM 773 N GLU C 168 -50.471 76.149 15.830 1.00 39.92 N +ATOM 774 CA GLU C 168 -51.846 76.080 15.350 1.00 46.86 C +ATOM 775 C GLU C 168 -52.404 77.427 14.848 1.00 50.68 C +ATOM 776 O GLU C 168 -53.163 77.457 13.879 1.00 51.03 O +ATOM 777 CB GLU C 168 -52.757 75.378 16.374 1.00 52.63 C +ATOM 778 CG GLU C 168 -53.537 76.280 17.322 1.00 61.15 C +ATOM 779 CD GLU C 168 -54.167 75.512 18.476 1.00 67.99 C +ATOM 780 OE1 GLU C 168 -54.793 74.452 18.222 1.00 69.25 O +ATOM 781 OE2 GLU C 168 -54.036 75.968 19.639 1.00 69.12 O +ATOM 782 N THR C 169 -52.011 78.531 15.481 1.00 53.04 N +ATOM 783 CA THR C 169 -52.540 79.844 15.113 1.00 57.95 C +ATOM 784 C THR C 169 -51.688 80.558 14.063 1.00 63.30 C +ATOM 785 O THR C 169 -52.056 81.635 13.594 1.00 64.44 O +ATOM 786 CB THR C 169 -52.765 80.758 16.358 1.00 59.04 C +ATOM 787 OG1 THR C 169 -51.520 81.023 17.014 1.00 57.35 O +ATOM 788 CG2 THR C 169 -53.603 80.055 17.433 1.00 60.88 C +ATOM 789 N HIS C 170 -50.555 79.956 13.704 1.00 68.82 N +ATOM 790 CA HIS C 170 -49.676 80.484 12.659 1.00 74.57 C +ATOM 791 C HIS C 170 -49.373 79.392 11.633 1.00 79.56 C +ATOM 792 O HIS C 170 -48.207 79.062 11.387 1.00 80.57 O +ATOM 793 CB HIS C 170 -48.366 81.035 13.247 1.00 73.95 C +ATOM 794 CG HIS C 170 -48.546 82.215 14.154 1.00 74.06 C +ATOM 795 ND1 HIS C 170 -48.629 82.095 15.525 1.00 74.27 N +ATOM 796 CD2 HIS C 170 -48.641 83.540 13.887 1.00 76.18 C +ATOM 797 CE1 HIS C 170 -48.777 83.293 16.063 1.00 75.10 C +ATOM 798 NE2 HIS C 170 -48.787 84.188 15.091 1.00 76.38 N +ATOM 799 N SER C 171 -50.434 78.826 11.057 1.00 83.80 N +ATOM 800 CA SER C 171 -50.336 77.841 9.976 1.00 87.95 C +ATOM 801 C SER C 171 -51.724 77.531 9.405 1.00 90.07 C +ATOM 802 O SER C 171 -52.003 77.788 8.230 1.00 89.75 O +ATOM 803 CB SER C 171 -49.628 76.556 10.443 1.00 88.78 C +ATOM 804 OG SER C 171 -50.463 75.411 10.338 1.00 89.97 O Added: SwiftApps/modFTdock/input/indata/1oxn-4.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1oxn-4.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1oxn-4.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,798 @@ +ATOM 1 N ALA D 71 6.758 76.848 18.010 1.00 85.14 N +ATOM 2 CA ALA D 71 6.754 75.652 17.113 1.00 86.00 C +ATOM 3 C ALA D 71 6.484 74.360 17.890 1.00 84.57 C +ATOM 4 O ALA D 71 7.313 73.917 18.696 1.00 85.52 O +ATOM 5 CB ALA D 71 8.071 75.559 16.334 1.00 86.56 C +ATOM 6 N GLY D 72 5.317 73.766 17.643 1.00 80.86 N +ATOM 7 CA GLY D 72 4.902 72.562 18.344 1.00 76.61 C +ATOM 8 C GLY D 72 3.505 72.073 18.002 1.00 71.57 C +ATOM 9 O GLY D 72 3.178 70.905 18.250 1.00 71.23 O +ATOM 10 N ALA D 73 2.676 72.958 17.446 1.00 65.91 N +ATOM 11 CA ALA D 73 1.325 72.579 17.029 1.00 59.72 C +ATOM 12 C ALA D 73 1.412 71.621 15.856 1.00 55.06 C +ATOM 13 O ALA D 73 2.145 71.862 14.898 1.00 52.21 O +ATOM 14 CB ALA D 73 0.502 73.796 16.666 1.00 59.82 C +ATOM 15 N THR D 74 0.687 70.515 15.956 1.00 52.69 N +ATOM 16 CA THR D 74 0.738 69.483 14.936 1.00 52.11 C +ATOM 17 C THR D 74 -0.475 69.562 14.017 1.00 49.27 C +ATOM 18 O THR D 74 -1.535 70.064 14.401 1.00 48.62 O +ATOM 19 CB THR D 74 0.853 68.067 15.562 1.00 54.83 C +ATOM 20 OG1 THR D 74 -0.343 67.751 16.286 1.00 56.88 O +ATOM 21 CG2 THR D 74 1.944 68.022 16.636 1.00 58.75 C +ATOM 22 N LEU D 75 -0.287 69.068 12.798 1.00 44.80 N +ATOM 23 CA LEU D 75 -1.352 68.904 11.832 1.00 41.07 C +ATOM 24 C LEU D 75 -2.310 67.819 12.302 1.00 38.67 C +ATOM 25 O LEU D 75 -1.880 66.735 12.704 1.00 36.29 O +ATOM 26 CB LEU D 75 -0.746 68.490 10.501 1.00 43.48 C +ATOM 27 CG LEU D 75 -1.233 69.126 9.205 1.00 44.90 C +ATOM 28 CD1 LEU D 75 -1.404 70.623 9.309 1.00 42.87 C +ATOM 29 CD2 LEU D 75 -0.246 68.768 8.117 1.00 46.17 C +ATOM 30 N SER D 76 -3.608 68.109 12.263 1.00 35.79 N +ATOM 31 CA SER D 76 -4.606 67.094 12.581 1.00 35.11 C +ATOM 32 C SER D 76 -4.610 66.008 11.512 1.00 30.58 C +ATOM 33 O SER D 76 -4.456 66.302 10.324 1.00 29.10 O +ATOM 34 CB SER D 76 -5.988 67.718 12.744 1.00 40.07 C +ATOM 35 OG SER D 76 -6.002 68.582 13.867 1.00 43.64 O +ATOM 36 N ARG D 77 -4.785 64.762 11.943 1.00 28.91 N +ATOM 37 CA ARG D 77 -4.665 63.607 11.061 1.00 37.02 C +ATOM 38 C ARG D 77 -5.998 63.169 10.443 1.00 37.59 C +ATOM 39 O ARG D 77 -6.033 62.265 9.602 1.00 36.56 O +ATOM 40 CB ARG D 77 -3.981 62.443 11.796 1.00 45.54 C +ATOM 41 CG ARG D 77 -2.536 62.757 12.234 1.00 52.35 C +ATOM 42 CD ARG D 77 -1.752 61.565 12.751 1.00 60.32 C +ATOM 43 NE ARG D 77 -1.098 60.829 11.668 1.00 66.05 N +ATOM 44 CZ ARG D 77 -1.553 59.692 11.141 1.00 68.87 C +ATOM 45 NH1 ARG D 77 -2.677 59.137 11.588 1.00 69.15 N +ATOM 46 NH2 ARG D 77 -0.879 59.105 10.159 1.00 68.52 N +ATOM 47 N GLY D 78 -7.085 63.817 10.846 1.00 37.32 N +ATOM 48 CA GLY D 78 -8.400 63.463 10.341 1.00 37.09 C +ATOM 49 C GLY D 78 -8.670 64.074 8.977 1.00 32.07 C +ATOM 50 O GLY D 78 -8.502 65.282 8.803 1.00 33.26 O +ATOM 51 N PRO D 79 -9.092 63.263 8.006 1.00 29.73 N +ATOM 52 CA PRO D 79 -9.513 63.818 6.713 1.00 28.44 C +ATOM 53 C PRO D 79 -10.699 64.742 6.967 1.00 25.96 C +ATOM 54 O PRO D 79 -11.506 64.458 7.850 1.00 26.50 O +ATOM 55 CB PRO D 79 -9.940 62.592 5.902 1.00 27.82 C +ATOM 56 CG PRO D 79 -9.398 61.399 6.621 1.00 31.07 C +ATOM 57 CD PRO D 79 -9.235 61.797 8.067 1.00 32.92 C +ATOM 58 N ALA D 80 -10.760 65.859 6.254 1.00 25.78 N +ATOM 59 CA ALA D 80 -11.893 66.767 6.328 1.00 26.21 C +ATOM 60 C ALA D 80 -13.210 66.057 6.009 1.00 28.21 C +ATOM 61 O ALA D 80 -14.237 66.338 6.625 1.00 28.17 O +ATOM 62 CB ALA D 80 -11.689 67.920 5.380 1.00 26.51 C +ATOM 63 N PHE D 81 -13.161 65.141 5.043 1.00 26.85 N +ATOM 64 CA PHE D 81 -14.343 64.489 4.511 1.00 23.99 C +ATOM 65 C PHE D 81 -14.012 63.002 4.381 1.00 20.26 C +ATOM 66 O PHE D 81 -13.696 62.516 3.301 1.00 21.72 O +ATOM 67 CB PHE D 81 -14.725 65.134 3.162 1.00 24.11 C +ATOM 68 CG PHE D 81 -16.119 64.794 2.669 1.00 28.14 C +ATOM 69 CD1 PHE D 81 -16.810 63.678 3.138 1.00 26.52 C +ATOM 70 CD2 PHE D 81 -16.735 65.598 1.703 1.00 25.80 C +ATOM 71 CE1 PHE D 81 -18.096 63.380 2.671 1.00 28.11 C +ATOM 72 CE2 PHE D 81 -18.023 65.308 1.238 1.00 27.86 C +ATOM 73 CZ PHE D 81 -18.701 64.192 1.722 1.00 28.83 C +ATOM 74 N PRO D 82 -14.089 62.285 5.496 1.00 20.98 N +ATOM 75 CA PRO D 82 -13.698 60.882 5.540 1.00 21.20 C +ATOM 76 C PRO D 82 -14.382 60.023 4.484 1.00 22.52 C +ATOM 77 O PRO D 82 -13.720 59.145 3.929 1.00 23.08 O +ATOM 78 CB PRO D 82 -14.101 60.452 6.958 1.00 23.75 C +ATOM 79 CG PRO D 82 -14.040 61.690 7.747 1.00 21.76 C +ATOM 80 CD PRO D 82 -14.529 62.774 6.818 1.00 24.49 C +ATOM 81 N GLY D 83 -15.658 60.268 4.193 1.00 21.25 N +ATOM 82 CA GLY D 83 -16.386 59.417 3.261 1.00 19.45 C +ATOM 83 C GLY D 83 -15.855 59.507 1.851 1.00 22.48 C +ATOM 84 O GLY D 83 -15.971 58.572 1.061 1.00 22.52 O +ATOM 85 N MET D 84 -15.252 60.648 1.540 1.00 19.67 N +ATOM 86 CA MET D 84 -14.657 60.858 0.232 1.00 22.38 C +ATOM 87 C MET D 84 -13.224 60.313 0.143 1.00 25.97 C +ATOM 88 O MET D 84 -12.510 60.595 -0.805 1.00 25.78 O +ATOM 89 CB MET D 84 -14.751 62.337 -0.157 1.00 24.16 C +ATOM 90 CG MET D 84 -16.123 62.722 -0.715 1.00 20.12 C +ATOM 91 SD MET D 84 -16.587 61.632 -2.079 1.00 22.16 S +ATOM 92 CE MET D 84 -18.105 62.468 -2.630 1.00 20.99 C +ATOM 93 N GLY D 85 -12.822 59.522 1.138 1.00 27.88 N +ATOM 94 CA GLY D 85 -11.559 58.802 1.102 1.00 23.88 C +ATOM 95 C GLY D 85 -11.602 57.720 0.051 1.00 26.44 C +ATOM 96 O GLY D 85 -10.562 57.248 -0.419 1.00 23.48 O +ATOM 97 N SER D 86 -12.819 57.322 -0.317 1.00 21.94 N +ATOM 98 CA SER D 86 -13.023 56.387 -1.410 1.00 25.14 C +ATOM 99 C SER D 86 -12.878 57.119 -2.738 1.00 26.45 C +ATOM 100 O SER D 86 -13.617 58.064 -3.017 1.00 28.96 O +ATOM 101 CB SER D 86 -14.416 55.756 -1.312 1.00 29.24 C +ATOM 102 OG SER D 86 -14.739 55.049 -2.496 1.00 33.39 O +ATOM 103 N GLU D 87 -11.923 56.681 -3.552 1.00 26.97 N +ATOM 104 CA GLU D 87 -11.775 57.203 -4.905 1.00 26.79 C +ATOM 105 C GLU D 87 -13.047 56.960 -5.711 1.00 24.57 C +ATOM 106 O GLU D 87 -13.472 57.819 -6.481 1.00 23.69 O +ATOM 107 CB GLU D 87 -10.588 56.554 -5.610 1.00 28.33 C +ATOM 108 CG GLU D 87 -10.299 57.133 -6.987 1.00 34.02 C +ATOM 109 CD GLU D 87 -8.962 56.692 -7.549 1.00 39.62 C +ATOM 110 OE1 GLU D 87 -8.145 56.108 -6.806 1.00 47.26 O +ATOM 111 OE2 GLU D 87 -8.719 56.940 -8.742 1.00 41.15 O +ATOM 112 N GLU D 88 -13.651 55.791 -5.516 1.00 26.68 N +ATOM 113 CA GLU D 88 -14.899 55.441 -6.184 1.00 29.86 C +ATOM 114 C GLU D 88 -15.971 56.489 -5.924 1.00 24.59 C +ATOM 115 O GLU D 88 -16.640 56.945 -6.847 1.00 27.36 O +ATOM 116 CB GLU D 88 -15.374 54.055 -5.749 1.00 37.04 C +ATOM 117 CG GLU D 88 -15.692 53.136 -6.916 1.00 52.70 C +ATOM 118 CD GLU D 88 -15.702 51.665 -6.528 1.00 60.74 C +ATOM 119 OE1 GLU D 88 -16.713 51.213 -5.942 1.00 62.65 O +ATOM 120 OE2 GLU D 88 -14.702 50.964 -6.815 1.00 61.69 O +ATOM 121 N LEU D 89 -16.106 56.888 -4.665 1.00 25.96 N +ATOM 122 CA LEU D 89 -17.089 57.887 -4.283 1.00 22.06 C +ATOM 123 C LEU D 89 -16.714 59.274 -4.796 1.00 27.46 C +ATOM 124 O LEU D 89 -17.580 60.026 -5.238 1.00 30.72 O +ATOM 125 CB LEU D 89 -17.319 57.886 -2.766 1.00 21.20 C +ATOM 126 CG LEU D 89 -17.960 56.611 -2.193 1.00 29.85 C +ATOM 127 CD1 LEU D 89 -18.057 56.702 -0.678 1.00 28.34 C +ATOM 128 CD2 LEU D 89 -19.343 56.309 -2.824 1.00 28.98 C +ATOM 129 N ARG D 90 -15.425 59.600 -4.768 1.00 25.70 N +ATOM 130 CA ARG D 90 -14.963 60.866 -5.339 1.00 22.35 C +ATOM 131 C ARG D 90 -15.313 60.954 -6.820 1.00 21.60 C +ATOM 132 O ARG D 90 -15.857 61.965 -7.264 1.00 21.81 O +ATOM 133 CB ARG D 90 -13.462 61.054 -5.131 1.00 21.48 C +ATOM 134 CG ARG D 90 -13.064 61.216 -3.673 1.00 14.26 C +ATOM 135 CD ARG D 90 -11.674 61.818 -3.477 1.00 20.80 C +ATOM 136 NE ARG D 90 -10.622 61.027 -4.115 1.00 16.40 N +ATOM 137 CZ ARG D 90 -10.014 59.987 -3.537 1.00 17.26 C +ATOM 138 NH1 ARG D 90 -10.362 59.601 -2.322 1.00 16.89 N +ATOM 139 NH2 ARG D 90 -9.071 59.317 -4.175 1.00 16.83 N +ATOM 140 N LEU D 91 -15.031 59.885 -7.566 1.00 20.85 N +ATOM 141 CA LEU D 91 -15.314 59.842 -8.994 1.00 24.99 C +ATOM 142 C LEU D 91 -16.805 60.011 -9.268 1.00 23.63 C +ATOM 143 O LEU D 91 -17.187 60.751 -10.159 1.00 26.82 O +ATOM 144 CB LEU D 91 -14.859 58.516 -9.601 1.00 25.84 C +ATOM 145 CG LEU D 91 -14.171 58.520 -10.972 1.00 29.15 C +ATOM 146 CD1 LEU D 91 -14.427 57.238 -11.732 1.00 31.54 C +ATOM 147 CD2 LEU D 91 -14.457 59.745 -11.822 1.00 25.09 C +ATOM 148 N ALA D 92 -17.623 59.298 -8.503 1.00 23.42 N +ATOM 149 CA ALA D 92 -19.076 59.366 -8.615 1.00 23.57 C +ATOM 150 C ALA D 92 -19.572 60.789 -8.425 1.00 24.07 C +ATOM 151 O ALA D 92 -20.557 61.182 -9.033 1.00 30.68 O +ATOM 152 CB ALA D 92 -19.729 58.438 -7.597 1.00 21.01 C +ATOM 153 N SER D 93 -18.878 61.566 -7.595 1.00 20.64 N +ATOM 154 CA SER D 93 -19.260 62.957 -7.367 1.00 19.31 C +ATOM 155 C SER D 93 -19.184 63.804 -8.636 1.00 18.16 C +ATOM 156 O SER D 93 -19.756 64.874 -8.673 1.00 20.37 O +ATOM 157 CB SER D 93 -18.401 63.594 -6.268 1.00 25.07 C +ATOM 158 OG SER D 93 -17.084 63.843 -6.741 1.00 23.85 O +ATOM 159 N PHE D 94 -18.480 63.326 -9.664 1.00 16.84 N +ATOM 160 CA PHE D 94 -18.267 64.120 -10.874 1.00 22.69 C +ATOM 161 C PHE D 94 -19.314 63.868 -11.968 1.00 22.96 C +ATOM 162 O PHE D 94 -19.138 64.309 -13.103 1.00 23.28 O +ATOM 163 CB PHE D 94 -16.868 63.868 -11.449 1.00 20.31 C +ATOM 164 CG PHE D 94 -15.746 64.477 -10.649 1.00 21.40 C +ATOM 165 CD1 PHE D 94 -15.149 63.770 -9.607 1.00 20.68 C +ATOM 166 CD2 PHE D 94 -15.244 65.728 -10.976 1.00 22.29 C +ATOM 167 CE1 PHE D 94 -14.081 64.324 -8.878 1.00 21.47 C +ATOM 168 CE2 PHE D 94 -14.184 66.283 -10.261 1.00 21.36 C +ATOM 169 CZ PHE D 94 -13.613 65.575 -9.195 1.00 20.62 C +ATOM 170 N TYR D 95 -20.405 63.188 -11.627 1.00 23.83 N +ATOM 171 CA TYR D 95 -21.434 62.845 -12.606 1.00 26.09 C +ATOM 172 C TYR D 95 -21.897 64.082 -13.368 1.00 26.08 C +ATOM 173 O TYR D 95 -22.181 64.022 -14.571 1.00 23.24 O +ATOM 174 CB TYR D 95 -22.618 62.128 -11.937 1.00 32.66 C +ATOM 175 CG TYR D 95 -23.473 63.000 -11.038 1.00 43.59 C +ATOM 176 CD1 TYR D 95 -23.090 63.276 -9.718 1.00 47.86 C +ATOM 177 CD2 TYR D 95 -24.675 63.543 -11.501 1.00 49.60 C +ATOM 178 CE1 TYR D 95 -23.883 64.076 -8.888 1.00 50.69 C +ATOM 179 CE2 TYR D 95 -25.475 64.344 -10.677 1.00 51.07 C +ATOM 180 CZ TYR D 95 -25.074 64.605 -9.375 1.00 53.68 C +ATOM 181 OH TYR D 95 -25.865 65.398 -8.566 1.00 56.18 O +ATOM 182 N ASP D 96 -21.930 65.200 -12.651 1.00 21.76 N +ATOM 183 CA ASP D 96 -22.408 66.478 -13.159 1.00 26.15 C +ATOM 184 C ASP D 96 -21.269 67.419 -13.498 1.00 24.39 C +ATOM 185 O ASP D 96 -21.449 68.623 -13.481 1.00 21.80 O +ATOM 186 CB ASP D 96 -23.293 67.147 -12.101 1.00 34.63 C +ATOM 187 CG ASP D 96 -22.623 67.198 -10.701 1.00 39.84 C +ATOM 188 OD1 ASP D 96 -21.519 66.592 -10.495 1.00 30.85 O +ATOM 189 OD2 ASP D 96 -23.152 67.826 -9.747 1.00 41.78 O +ATOM 190 N TRP D 97 -20.089 66.870 -13.778 1.00 21.66 N +ATOM 191 CA TRP D 97 -18.939 67.672 -14.180 1.00 20.82 C +ATOM 192 C TRP D 97 -19.342 68.467 -15.426 1.00 25.39 C +ATOM 193 O TRP D 97 -19.999 67.923 -16.305 1.00 24.59 O +ATOM 194 CB TRP D 97 -17.784 66.726 -14.503 1.00 17.76 C +ATOM 195 CG TRP D 97 -16.433 67.330 -14.706 1.00 18.83 C +ATOM 196 CD1 TRP D 97 -15.635 67.173 -15.794 1.00 15.58 C +ATOM 197 CD2 TRP D 97 -15.694 68.135 -13.782 1.00 16.60 C +ATOM 198 NE1 TRP D 97 -14.453 67.847 -15.616 1.00 18.44 N +ATOM 199 CE2 TRP D 97 -14.464 68.445 -14.386 1.00 18.83 C +ATOM 200 CE3 TRP D 97 -15.958 68.648 -12.505 1.00 21.07 C +ATOM 201 CZ2 TRP D 97 -13.496 69.247 -13.763 1.00 20.85 C +ATOM 202 CZ3 TRP D 97 -14.997 69.432 -11.885 1.00 16.86 C +ATOM 203 CH2 TRP D 97 -13.786 69.725 -12.515 1.00 18.98 C +ATOM 204 N PRO D 98 -18.951 69.739 -15.512 1.00 27.06 N +ATOM 205 CA PRO D 98 -19.348 70.585 -16.647 1.00 24.59 C +ATOM 206 C PRO D 98 -18.819 70.039 -17.954 1.00 27.40 C +ATOM 207 O PRO D 98 -17.689 69.549 -18.015 1.00 25.34 O +ATOM 208 CB PRO D 98 -18.683 71.934 -16.342 1.00 24.40 C +ATOM 209 CG PRO D 98 -18.446 71.915 -14.879 1.00 29.47 C +ATOM 210 CD PRO D 98 -18.126 70.475 -14.540 1.00 22.58 C +ATOM 211 N LEU D 99 -19.634 70.130 -18.995 1.00 23.89 N +ATOM 212 CA LEU D 99 -19.207 69.709 -20.319 1.00 23.46 C +ATOM 213 C LEU D 99 -18.178 70.657 -20.902 1.00 22.56 C +ATOM 214 O LEU D 99 -17.486 70.318 -21.856 1.00 24.68 O +ATOM 215 CB LEU D 99 -20.408 69.527 -21.258 1.00 21.40 C +ATOM 216 CG LEU D 99 -21.535 68.707 -20.648 1.00 26.61 C +ATOM 217 CD1 LEU D 99 -22.637 68.494 -21.669 1.00 31.54 C +ATOM 218 CD2 LEU D 99 -21.028 67.355 -20.076 1.00 22.73 C +ATOM 219 N THR D 100 -18.054 71.841 -20.311 1.00 23.77 N +ATOM 220 CA THR D 100 -17.029 72.792 -20.735 1.00 26.10 C +ATOM 221 C THR D 100 -15.682 72.521 -20.072 1.00 25.25 C +ATOM 222 O THR D 100 -14.672 73.112 -20.459 1.00 26.06 O +ATOM 223 CB THR D 100 -17.454 74.214 -20.372 1.00 30.15 C +ATOM 224 OG1 THR D 100 -17.950 74.213 -19.024 1.00 32.14 O +ATOM 225 CG2 THR D 100 -18.647 74.665 -21.230 1.00 25.31 C +ATOM 226 N ALA D 101 -15.676 71.648 -19.067 1.00 23.49 N +ATOM 227 CA ALA D 101 -14.498 71.438 -18.216 1.00 24.64 C +ATOM 228 C ALA D 101 -13.319 70.878 -19.007 1.00 24.26 C +ATOM 229 O ALA D 101 -13.482 70.335 -20.102 1.00 25.01 O +ATOM 230 CB ALA D 101 -14.852 70.535 -17.042 1.00 21.56 C +ATOM 231 N GLU D 102 -12.120 71.032 -18.476 1.00 22.74 N +ATOM 232 CA GLU D 102 -10.942 70.780 -19.290 1.00 22.20 C +ATOM 233 C GLU D 102 -10.017 69.733 -18.682 1.00 23.57 C +ATOM 234 O GLU D 102 -9.019 69.340 -19.292 1.00 23.60 O +ATOM 235 CB GLU D 102 -10.200 72.094 -19.537 1.00 31.26 C +ATOM 236 CG GLU D 102 -10.626 72.795 -20.820 1.00 41.73 C +ATOM 237 CD GLU D 102 -10.231 74.258 -20.845 1.00 49.89 C +ATOM 238 OE1 GLU D 102 -9.017 74.562 -20.749 1.00 51.76 O +ATOM 239 OE2 GLU D 102 -11.136 75.112 -20.968 1.00 53.03 O +ATOM 240 N VAL D 103 -10.354 69.301 -17.472 1.00 21.67 N +ATOM 241 CA VAL D 103 -9.601 68.278 -16.765 1.00 23.09 C +ATOM 242 C VAL D 103 -10.599 67.198 -16.372 1.00 20.42 C +ATOM 243 O VAL D 103 -11.685 67.503 -15.878 1.00 22.10 O +ATOM 244 CB VAL D 103 -8.845 68.868 -15.544 1.00 21.31 C +ATOM 245 CG1 VAL D 103 -8.155 67.768 -14.707 1.00 18.90 C +ATOM 246 CG2 VAL D 103 -7.823 69.866 -16.021 1.00 24.61 C +ATOM 247 N PRO D 104 -10.251 65.946 -16.646 1.00 21.80 N +ATOM 248 CA PRO D 104 -11.181 64.826 -16.453 1.00 22.14 C +ATOM 249 C PRO D 104 -11.380 64.439 -15.001 1.00 21.06 C +ATOM 250 O PRO D 104 -10.436 64.471 -14.214 1.00 22.55 O +ATOM 251 CB PRO D 104 -10.518 63.673 -17.216 1.00 19.80 C +ATOM 252 CG PRO D 104 -9.043 64.010 -17.215 1.00 21.56 C +ATOM 253 CD PRO D 104 -8.947 65.507 -17.190 1.00 22.47 C +ATOM 254 N PRO D 105 -12.611 64.078 -14.662 1.00 21.26 N +ATOM 255 CA PRO D 105 -12.953 63.553 -13.336 1.00 19.03 C +ATOM 256 C PRO D 105 -12.003 62.477 -12.844 1.00 19.43 C +ATOM 257 O PRO D 105 -11.615 62.487 -11.667 1.00 21.14 O +ATOM 258 CB PRO D 105 -14.322 62.946 -13.573 1.00 19.71 C +ATOM 259 CG PRO D 105 -14.926 63.870 -14.595 1.00 20.28 C +ATOM 260 CD PRO D 105 -13.801 64.202 -15.526 1.00 20.78 C +ATOM 261 N GLU D 106 -11.641 61.545 -13.717 1.00 15.48 N +ATOM 262 CA GLU D 106 -10.878 60.405 -13.261 1.00 21.44 C +ATOM 263 C GLU D 106 -9.557 60.855 -12.655 1.00 23.04 C +ATOM 264 O GLU D 106 -9.144 60.353 -11.614 1.00 26.96 O +ATOM 265 CB GLU D 106 -10.675 59.409 -14.385 1.00 23.45 C +ATOM 266 CG GLU D 106 -10.150 58.082 -13.893 1.00 36.05 C +ATOM 267 CD GLU D 106 -8.646 58.094 -13.754 1.00 43.56 C +ATOM 268 OE1 GLU D 106 -7.973 58.780 -14.565 1.00 44.89 O +ATOM 269 OE2 GLU D 106 -8.141 57.434 -12.821 1.00 48.56 O +ATOM 270 N LEU D 107 -8.919 61.828 -13.300 1.00 22.97 N +ATOM 271 CA LEU D 107 -7.640 62.350 -12.847 1.00 24.76 C +ATOM 272 C LEU D 107 -7.826 63.159 -11.570 1.00 23.65 C +ATOM 273 O LEU D 107 -7.030 63.077 -10.644 1.00 23.72 O +ATOM 274 CB LEU D 107 -7.025 63.228 -13.932 1.00 23.38 C +ATOM 275 CG LEU D 107 -5.717 62.789 -14.587 1.00 34.33 C +ATOM 276 CD1 LEU D 107 -5.492 61.279 -14.548 1.00 36.01 C +ATOM 277 CD2 LEU D 107 -5.662 63.317 -16.023 1.00 35.81 C +ATOM 278 N LEU D 108 -8.899 63.932 -11.522 1.00 18.85 N +ATOM 279 CA LEU D 108 -9.173 64.742 -10.350 1.00 17.99 C +ATOM 280 C LEU D 108 -9.403 63.881 -9.134 1.00 16.92 C +ATOM 281 O LEU D 108 -8.813 64.122 -8.082 1.00 21.59 O +ATOM 282 CB LEU D 108 -10.374 65.640 -10.603 1.00 17.51 C +ATOM 283 CG LEU D 108 -9.951 66.746 -11.558 1.00 18.71 C +ATOM 284 CD1 LEU D 108 -11.163 67.320 -12.290 1.00 20.69 C +ATOM 285 CD2 LEU D 108 -9.212 67.838 -10.784 1.00 20.00 C +ATOM 286 N ALA D 109 -10.234 62.859 -9.299 1.00 17.91 N +ATOM 287 CA ALA D 109 -10.613 61.974 -8.202 1.00 20.89 C +ATOM 288 C ALA D 109 -9.428 61.158 -7.708 1.00 21.48 C +ATOM 289 O ALA D 109 -9.323 60.869 -6.512 1.00 20.19 O +ATOM 290 CB ALA D 109 -11.754 61.039 -8.629 1.00 19.28 C +ATOM 291 N ALA D 110 -8.557 60.770 -8.639 1.00 22.78 N +ATOM 292 CA ALA D 110 -7.338 60.041 -8.301 1.00 20.38 C +ATOM 293 C ALA D 110 -6.465 60.916 -7.406 1.00 22.31 C +ATOM 294 O ALA D 110 -5.840 60.419 -6.480 1.00 25.48 O +ATOM 295 CB ALA D 110 -6.583 59.619 -9.570 1.00 18.63 C +ATOM 296 N ALA D 111 -6.462 62.225 -7.657 1.00 23.42 N +ATOM 297 CA ALA D 111 -5.645 63.151 -6.871 1.00 21.88 C +ATOM 298 C ALA D 111 -6.320 63.621 -5.575 1.00 22.47 C +ATOM 299 O ALA D 111 -5.847 64.564 -4.949 1.00 21.52 O +ATOM 300 CB ALA D 111 -5.232 64.360 -7.729 1.00 22.89 C +ATOM 301 N GLY D 112 -7.439 62.995 -5.203 1.00 18.73 N +ATOM 302 CA GLY D 112 -8.071 63.251 -3.920 1.00 18.67 C +ATOM 303 C GLY D 112 -9.249 64.215 -3.976 1.00 23.17 C +ATOM 304 O GLY D 112 -9.870 64.492 -2.946 1.00 22.23 O +ATOM 305 N PHE D 113 -9.568 64.709 -5.172 1.00 18.77 N +ATOM 306 CA PHE D 113 -10.601 65.733 -5.311 1.00 18.40 C +ATOM 307 C PHE D 113 -11.966 65.118 -5.548 1.00 17.72 C +ATOM 308 O PHE D 113 -12.099 64.110 -6.245 1.00 16.91 O +ATOM 309 CB PHE D 113 -10.242 66.701 -6.442 1.00 18.20 C +ATOM 310 CG PHE D 113 -8.968 67.451 -6.198 1.00 19.79 C +ATOM 311 CD1 PHE D 113 -8.897 68.416 -5.208 1.00 21.23 C +ATOM 312 CD2 PHE D 113 -7.828 67.169 -6.936 1.00 20.56 C +ATOM 313 CE1 PHE D 113 -7.708 69.100 -4.966 1.00 21.73 C +ATOM 314 CE2 PHE D 113 -6.640 67.848 -6.700 1.00 19.76 C +ATOM 315 CZ PHE D 113 -6.580 68.808 -5.714 1.00 19.64 C +ATOM 316 N PHE D 114 -12.979 65.709 -4.931 1.00 17.02 N +ATOM 317 CA PHE D 114 -14.349 65.400 -5.293 1.00 22.70 C +ATOM 318 C PHE D 114 -14.977 66.686 -5.811 1.00 23.22 C +ATOM 319 O PHE D 114 -14.536 67.783 -5.476 1.00 25.00 O +ATOM 320 CB PHE D 114 -15.131 64.833 -4.101 1.00 18.25 C +ATOM 321 CG PHE D 114 -15.248 65.789 -2.951 1.00 22.28 C +ATOM 322 CD1 PHE D 114 -16.304 66.688 -2.890 1.00 20.03 C +ATOM 323 CD2 PHE D 114 -14.294 65.803 -1.933 1.00 24.37 C +ATOM 324 CE1 PHE D 114 -16.421 67.585 -1.832 1.00 22.93 C +ATOM 325 CE2 PHE D 114 -14.399 66.705 -0.871 1.00 24.35 C +ATOM 326 CZ PHE D 114 -15.469 67.595 -0.822 1.00 26.91 C +ATOM 327 N HIS D 115 -16.015 66.537 -6.617 1.00 22.35 N +ATOM 328 CA HIS D 115 -16.749 67.660 -7.166 1.00 21.89 C +ATOM 329 C HIS D 115 -17.747 68.207 -6.152 1.00 19.17 C +ATOM 330 O HIS D 115 -18.464 67.450 -5.520 1.00 22.75 O +ATOM 331 CB HIS D 115 -17.498 67.201 -8.420 1.00 23.21 C +ATOM 332 CG HIS D 115 -18.089 68.322 -9.212 1.00 24.23 C +ATOM 333 ND1 HIS D 115 -19.227 68.174 -9.976 1.00 22.17 N +ATOM 334 CD2 HIS D 115 -17.701 69.610 -9.357 1.00 23.40 C +ATOM 335 CE1 HIS D 115 -19.508 69.321 -10.564 1.00 24.25 C +ATOM 336 NE2 HIS D 115 -18.593 70.206 -10.212 1.00 28.20 N +ATOM 337 N THR D 116 -17.802 69.522 -5.998 1.00 21.76 N +ATOM 338 CA THR D 116 -18.771 70.123 -5.071 1.00 30.30 C +ATOM 339 C THR D 116 -20.176 70.156 -5.679 1.00 40.86 C +ATOM 340 O THR D 116 -21.177 70.269 -4.957 1.00 42.78 O +ATOM 341 CB THR D 116 -18.353 71.549 -4.680 1.00 29.29 C +ATOM 342 OG1 THR D 116 -18.273 72.354 -5.867 1.00 33.00 O +ATOM 343 CG2 THR D 116 -16.928 71.575 -4.137 1.00 29.10 C +ATOM 344 N GLY D 117 -20.241 70.058 -7.009 1.00 46.37 N +ATOM 345 CA GLY D 117 -21.499 70.101 -7.740 1.00 43.91 C +ATOM 346 C GLY D 117 -21.718 71.486 -8.314 1.00 44.22 C +ATOM 347 O GLY D 117 -22.773 71.796 -8.856 1.00 50.48 O +ATOM 348 N HIS D 118 -20.707 72.330 -8.182 1.00 45.47 N +ATOM 349 CA HIS D 118 -20.799 73.706 -8.639 1.00 46.69 C +ATOM 350 C HIS D 118 -19.655 73.979 -9.602 1.00 40.91 C +ATOM 351 O HIS D 118 -18.482 73.947 -9.206 1.00 34.91 O +ATOM 352 CB HIS D 118 -20.795 74.668 -7.441 1.00 51.90 C +ATOM 353 CG HIS D 118 -21.925 74.429 -6.486 1.00 59.66 C +ATOM 354 ND1 HIS D 118 -23.154 75.044 -6.614 1.00 61.55 N +ATOM 355 CD2 HIS D 118 -22.025 73.614 -5.407 1.00 62.21 C +ATOM 356 CE1 HIS D 118 -23.956 74.630 -5.648 1.00 62.30 C +ATOM 357 NE2 HIS D 118 -23.296 73.759 -4.904 1.00 62.51 N +ATOM 358 N GLN D 119 -20.007 74.201 -10.873 1.00 31.59 N +ATOM 359 CA GLN D 119 -19.029 74.474 -11.920 1.00 32.42 C +ATOM 360 C GLN D 119 -17.935 73.406 -11.892 1.00 26.81 C +ATOM 361 O GLN D 119 -18.221 72.230 -11.730 1.00 22.50 O +ATOM 362 CB GLN D 119 -18.438 75.876 -11.764 1.00 37.56 C +ATOM 363 CG GLN D 119 -19.441 76.994 -12.012 1.00 45.19 C +ATOM 364 CD GLN D 119 -20.196 77.375 -10.757 1.00 52.87 C +ATOM 365 OE1 GLN D 119 -19.653 78.055 -9.887 1.00 59.69 O +ATOM 366 NE2 GLN D 119 -21.446 76.932 -10.652 1.00 54.61 N +ATOM 367 N ASP D 120 -16.681 73.798 -12.032 1.00 22.85 N +ATOM 368 CA ASP D 120 -15.651 72.791 -12.016 1.00 24.01 C +ATOM 369 C ASP D 120 -14.886 72.827 -10.698 1.00 24.26 C +ATOM 370 O ASP D 120 -13.695 72.503 -10.650 1.00 18.97 O +ATOM 371 CB ASP D 120 -14.749 72.892 -13.254 1.00 25.45 C +ATOM 372 CG ASP D 120 -13.865 74.124 -13.251 1.00 27.18 C +ATOM 373 OD1 ASP D 120 -14.130 75.069 -12.478 1.00 25.71 O +ATOM 374 OD2 ASP D 120 -12.875 74.232 -14.003 1.00 32.74 O +ATOM 375 N LYS D 121 -15.592 73.217 -9.638 1.00 22.34 N +ATOM 376 CA LYS D 121 -15.006 73.317 -8.307 1.00 21.88 C +ATOM 377 C LYS D 121 -14.823 71.963 -7.687 1.00 22.27 C +ATOM 378 O LYS D 121 -15.728 71.131 -7.699 1.00 22.85 O +ATOM 379 CB LYS D 121 -15.864 74.179 -7.388 1.00 23.05 C +ATOM 380 CG LYS D 121 -15.921 75.619 -7.831 1.00 30.66 C +ATOM 381 CD LYS D 121 -16.831 76.437 -6.951 1.00 32.20 C +ATOM 382 CE LYS D 121 -17.251 77.704 -7.678 1.00 38.64 C +ATOM 383 NZ LYS D 121 -17.830 78.694 -6.732 1.00 45.65 N +ATOM 384 N VAL D 122 -13.642 71.745 -7.130 1.00 21.94 N +ATOM 385 CA VAL D 122 -13.360 70.506 -6.429 1.00 20.78 C +ATOM 386 C VAL D 122 -12.760 70.804 -5.063 1.00 22.50 C +ATOM 387 O VAL D 122 -12.215 71.879 -4.823 1.00 22.17 O +ATOM 388 CB VAL D 122 -12.413 69.579 -7.223 1.00 21.79 C +ATOM 389 CG1 VAL D 122 -13.030 69.194 -8.571 1.00 21.10 C +ATOM 390 CG2 VAL D 122 -11.050 70.218 -7.413 1.00 19.71 C +ATOM 391 N ARG D 123 -12.881 69.840 -4.168 1.00 22.67 N +ATOM 392 CA ARG D 123 -12.207 69.905 -2.897 1.00 19.14 C +ATOM 393 C ARG D 123 -11.562 68.571 -2.656 1.00 19.69 C +ATOM 394 O ARG D 123 -12.072 67.535 -3.086 1.00 20.68 O +ATOM 395 CB ARG D 123 -13.189 70.240 -1.781 1.00 20.98 C +ATOM 396 CG ARG D 123 -13.577 71.708 -1.761 1.00 24.07 C +ATOM 397 CD ARG D 123 -14.026 72.154 -0.418 1.00 28.96 C +ATOM 398 NE ARG D 123 -14.528 73.518 -0.412 1.00 28.81 N +ATOM 399 CZ ARG D 123 -13.839 74.588 -0.039 1.00 30.67 C +ATOM 400 NH1 ARG D 123 -12.571 74.493 0.373 1.00 25.27 N +ATOM 401 NH2 ARG D 123 -14.433 75.771 -0.081 1.00 30.20 N +ATOM 402 N CYS D 124 -10.414 68.599 -1.991 1.00 13.85 N +ATOM 403 CA CYS D 124 -9.727 67.381 -1.643 1.00 17.40 C +ATOM 404 C CYS D 124 -10.456 66.834 -0.445 1.00 18.23 C +ATOM 405 O CYS D 124 -10.805 67.602 0.437 1.00 18.16 O +ATOM 406 CB CYS D 124 -8.284 67.683 -1.253 1.00 15.90 C +ATOM 407 SG CYS D 124 -7.483 66.260 -0.511 1.00 21.93 S +ATOM 408 N PHE D 125 -10.685 65.524 -0.405 1.00 20.03 N +ATOM 409 CA PHE D 125 -11.362 64.914 0.746 1.00 21.98 C +ATOM 410 C PHE D 125 -10.547 65.087 2.025 1.00 27.07 C +ATOM 411 O PHE D 125 -11.110 65.191 3.127 1.00 25.11 O +ATOM 412 CB PHE D 125 -11.643 63.424 0.499 1.00 18.23 C +ATOM 413 CG PHE D 125 -10.470 62.524 0.767 1.00 20.59 C +ATOM 414 CD1 PHE D 125 -9.489 62.335 -0.200 1.00 18.48 C +ATOM 415 CD2 PHE D 125 -10.345 61.860 1.994 1.00 22.85 C +ATOM 416 CE1 PHE D 125 -8.388 61.515 0.046 1.00 22.86 C +ATOM 417 CE2 PHE D 125 -9.245 61.031 2.264 1.00 20.92 C +ATOM 418 CZ PHE D 125 -8.261 60.853 1.293 1.00 24.47 C +ATOM 419 N PHE D 126 -9.220 65.121 1.882 1.00 26.25 N +ATOM 420 CA PHE D 126 -8.354 65.217 3.049 1.00 21.46 C +ATOM 421 C PHE D 126 -8.155 66.612 3.590 1.00 21.34 C +ATOM 422 O PHE D 126 -8.565 66.897 4.709 1.00 22.72 O +ATOM 423 CB PHE D 126 -7.005 64.526 2.836 1.00 27.51 C +ATOM 424 CG PHE D 126 -6.389 64.086 4.113 1.00 26.68 C +ATOM 425 CD1 PHE D 126 -5.731 64.999 4.919 1.00 25.63 C +ATOM 426 CD2 PHE D 126 -6.541 62.782 4.556 1.00 27.63 C +ATOM 427 CE1 PHE D 126 -5.216 64.610 6.139 1.00 27.69 C +ATOM 428 CE2 PHE D 126 -6.011 62.386 5.777 1.00 27.90 C +ATOM 429 CZ PHE D 126 -5.348 63.313 6.562 1.00 25.87 C +ATOM 430 N CYS D 127 -7.523 67.480 2.802 1.00 19.90 N +ATOM 431 CA CYS D 127 -7.197 68.819 3.260 1.00 22.51 C +ATOM 432 C CYS D 127 -8.332 69.805 3.006 1.00 25.02 C +ATOM 433 O CYS D 127 -8.292 70.947 3.489 1.00 20.44 O +ATOM 434 CB CYS D 127 -5.915 69.320 2.577 1.00 23.18 C +ATOM 435 SG CYS D 127 -6.029 69.495 0.779 1.00 18.74 S +ATOM 436 N TYR D 128 -9.331 69.374 2.232 1.00 24.40 N +ATOM 437 CA TYR D 128 -10.452 70.237 1.862 1.00 22.47 C +ATOM 438 C TYR D 128 -10.033 71.419 0.992 1.00 22.08 C +ATOM 439 O TYR D 128 -10.791 72.371 0.822 1.00 22.23 O +ATOM 440 CB TYR D 128 -11.189 70.743 3.106 1.00 22.13 C +ATOM 441 CG TYR D 128 -12.669 70.911 2.892 1.00 27.07 C +ATOM 442 CD1 TYR D 128 -13.468 69.823 2.529 1.00 29.75 C +ATOM 443 CD2 TYR D 128 -13.273 72.153 3.055 1.00 30.45 C +ATOM 444 CE1 TYR D 128 -14.829 69.970 2.323 1.00 33.65 C +ATOM 445 CE2 TYR D 128 -14.637 72.317 2.859 1.00 32.05 C +ATOM 446 CZ TYR D 128 -15.410 71.219 2.492 1.00 34.96 C +ATOM 447 OH TYR D 128 -16.761 71.380 2.294 1.00 35.47 O +ATOM 448 N GLY D 129 -8.825 71.352 0.446 1.00 25.28 N +ATOM 449 CA GLY D 129 -8.352 72.348 -0.494 1.00 20.44 C +ATOM 450 C GLY D 129 -9.259 72.423 -1.711 1.00 24.06 C +ATOM 451 O GLY D 129 -9.548 71.407 -2.353 1.00 21.74 O +ATOM 452 N GLY D 130 -9.707 73.636 -2.009 1.00 22.68 N +ATOM 453 CA GLY D 130 -10.651 73.878 -3.071 1.00 24.57 C +ATOM 454 C GLY D 130 -9.990 74.506 -4.278 1.00 24.61 C +ATOM 455 O GLY D 130 -9.319 75.531 -4.170 1.00 23.75 O +ATOM 456 N LEU D 131 -10.194 73.883 -5.434 1.00 21.42 N +ATOM 457 CA LEU D 131 -9.640 74.371 -6.686 1.00 21.63 C +ATOM 458 C LEU D 131 -10.728 74.420 -7.734 1.00 25.59 C +ATOM 459 O LEU D 131 -11.669 73.630 -7.694 1.00 22.63 O +ATOM 460 CB LEU D 131 -8.509 73.462 -7.168 1.00 23.59 C +ATOM 461 CG LEU D 131 -7.214 73.435 -6.354 1.00 25.31 C +ATOM 462 CD1 LEU D 131 -6.204 72.489 -6.995 1.00 21.60 C +ATOM 463 CD2 LEU D 131 -6.625 74.839 -6.225 1.00 24.14 C +ATOM 464 N GLN D 132 -10.586 75.352 -8.675 1.00 26.15 N +ATOM 465 CA GLN D 132 -11.521 75.498 -9.777 1.00 28.55 C +ATOM 466 C GLN D 132 -10.803 76.088 -10.981 1.00 30.63 C +ATOM 467 O GLN D 132 -9.589 76.339 -10.922 1.00 28.47 O +ATOM 468 CB GLN D 132 -12.684 76.404 -9.369 1.00 32.12 C +ATOM 469 CG GLN D 132 -12.269 77.818 -9.002 1.00 33.69 C +ATOM 470 CD GLN D 132 -13.433 78.626 -8.489 1.00 38.12 C +ATOM 471 OE1 GLN D 132 -13.892 78.417 -7.370 1.00 39.36 O +ATOM 472 NE2 GLN D 132 -13.925 79.540 -9.310 1.00 36.68 N +ATOM 473 N SER D 133 -11.567 76.320 -12.053 1.00 26.97 N +ATOM 474 CA SER D 133 -11.071 76.913 -13.293 1.00 30.41 C +ATOM 475 C SER D 133 -9.905 76.085 -13.813 1.00 33.14 C +ATOM 476 O SER D 133 -8.820 76.610 -14.083 1.00 29.62 O +ATOM 477 CB SER D 133 -10.667 78.381 -13.099 1.00 33.15 C +ATOM 478 OG SER D 133 -11.655 79.112 -12.391 1.00 39.92 O +ATOM 479 N TRP D 134 -10.148 74.779 -13.939 1.00 32.60 N +ATOM 480 CA TRP D 134 -9.133 73.828 -14.376 1.00 28.38 C +ATOM 481 C TRP D 134 -8.878 74.025 -15.853 1.00 26.24 C +ATOM 482 O TRP D 134 -9.808 74.144 -16.624 1.00 28.00 O +ATOM 483 CB TRP D 134 -9.607 72.399 -14.108 1.00 26.65 C +ATOM 484 CG TRP D 134 -9.630 72.070 -12.656 1.00 24.24 C +ATOM 485 CD1 TRP D 134 -10.664 72.265 -11.774 1.00 24.01 C +ATOM 486 CD2 TRP D 134 -8.564 71.510 -11.906 1.00 21.21 C +ATOM 487 NE1 TRP D 134 -10.301 71.839 -10.520 1.00 21.54 N +ATOM 488 CE2 TRP D 134 -9.011 71.375 -10.574 1.00 18.90 C +ATOM 489 CE3 TRP D 134 -7.267 71.079 -12.230 1.00 22.65 C +ATOM 490 CZ2 TRP D 134 -8.211 70.849 -9.572 1.00 20.37 C +ATOM 491 CZ3 TRP D 134 -6.475 70.546 -11.234 1.00 25.28 C +ATOM 492 CH2 TRP D 134 -6.949 70.430 -9.920 1.00 25.24 C +ATOM 493 N LYS D 135 -7.611 74.068 -16.239 1.00 30.06 N +ATOM 494 CA LYS D 135 -7.242 74.295 -17.627 1.00 30.48 C +ATOM 495 C LYS D 135 -6.632 73.044 -18.216 1.00 29.42 C +ATOM 496 O LYS D 135 -6.057 72.214 -17.499 1.00 29.87 O +ATOM 497 CB LYS D 135 -6.254 75.458 -17.730 1.00 39.68 C +ATOM 498 CG LYS D 135 -6.889 76.825 -17.501 1.00 48.48 C +ATOM 499 CD LYS D 135 -5.987 77.714 -16.656 1.00 57.43 C +ATOM 500 CE LYS D 135 -6.486 79.159 -16.618 1.00 62.27 C +ATOM 501 NZ LYS D 135 -7.800 79.292 -15.926 1.00 63.45 N +ATOM 502 N ARG D 136 -6.761 72.914 -19.531 1.00 27.02 N +ATOM 503 CA ARG D 136 -6.259 71.766 -20.258 1.00 32.97 C +ATOM 504 C ARG D 136 -4.797 71.545 -19.898 1.00 32.72 C +ATOM 505 O ARG D 136 -4.001 72.481 -19.889 1.00 34.94 O +ATOM 506 CB ARG D 136 -6.430 71.988 -21.764 1.00 40.26 C +ATOM 507 CG ARG D 136 -5.827 70.898 -22.640 1.00 52.77 C +ATOM 508 CD ARG D 136 -5.659 71.303 -24.099 1.00 63.77 C +ATOM 509 NE ARG D 136 -4.816 70.361 -24.839 1.00 72.75 N +ATOM 510 CZ ARG D 136 -3.763 70.708 -25.574 1.00 78.86 C +ATOM 511 NH1 ARG D 136 -3.403 71.984 -25.681 1.00 80.84 N +ATOM 512 NH2 ARG D 136 -3.064 69.776 -26.209 1.00 81.56 N +ATOM 513 N GLY D 137 -4.458 70.304 -19.584 1.00 36.84 N +ATOM 514 CA GLY D 137 -3.103 69.967 -19.187 1.00 40.07 C +ATOM 515 C GLY D 137 -2.773 70.195 -17.718 1.00 38.78 C +ATOM 516 O GLY D 137 -1.697 69.785 -17.276 1.00 37.34 O +ATOM 517 N ASP D 138 -3.667 70.846 -16.963 1.00 33.98 N +ATOM 518 CA ASP D 138 -3.461 70.973 -15.520 1.00 34.67 C +ATOM 519 C ASP D 138 -3.382 69.580 -14.950 1.00 31.57 C +ATOM 520 O ASP D 138 -4.209 68.718 -15.263 1.00 35.67 O +ATOM 521 CB ASP D 138 -4.599 71.716 -14.826 1.00 33.22 C +ATOM 522 CG ASP D 138 -4.427 73.210 -14.856 1.00 35.26 C +ATOM 523 OD1 ASP D 138 -3.447 73.721 -15.449 1.00 39.20 O +ATOM 524 OD2 ASP D 138 -5.251 73.965 -14.325 1.00 36.56 O +ATOM 525 N ASP D 139 -2.368 69.358 -14.134 1.00 29.85 N +ATOM 526 CA ASP D 139 -2.203 68.075 -13.488 1.00 30.39 C +ATOM 527 C ASP D 139 -2.709 68.178 -12.044 1.00 26.93 C +ATOM 528 O ASP D 139 -2.140 68.906 -11.231 1.00 32.72 O +ATOM 529 CB ASP D 139 -0.743 67.641 -13.551 1.00 29.46 C +ATOM 530 CG ASP D 139 -0.505 66.343 -12.838 1.00 35.25 C +ATOM 531 OD1 ASP D 139 -0.989 65.263 -13.220 1.00 40.28 O +ATOM 532 OD2 ASP D 139 0.183 66.360 -11.802 1.00 39.66 O +ATOM 533 N PRO D 140 -3.788 67.467 -11.729 1.00 27.41 N +ATOM 534 CA PRO D 140 -4.391 67.543 -10.393 1.00 25.53 C +ATOM 535 C PRO D 140 -3.397 67.309 -9.247 1.00 26.91 C +ATOM 536 O PRO D 140 -3.420 68.082 -8.289 1.00 25.25 O +ATOM 537 CB PRO D 140 -5.482 66.483 -10.446 1.00 24.26 C +ATOM 538 CG PRO D 140 -5.874 66.474 -11.923 1.00 24.38 C +ATOM 539 CD PRO D 140 -4.546 66.575 -12.631 1.00 24.66 C +ATOM 540 N TRP D 141 -2.526 66.307 -9.354 1.00 24.34 N +ATOM 541 CA TRP D 141 -1.501 66.093 -8.329 1.00 23.49 C +ATOM 542 C TRP D 141 -0.614 67.319 -8.095 1.00 23.61 C +ATOM 543 O TRP D 141 -0.396 67.730 -6.958 1.00 26.05 O +ATOM 544 CB TRP D 141 -0.644 64.889 -8.693 1.00 24.71 C +ATOM 545 CG TRP D 141 -1.258 63.579 -8.298 1.00 22.73 C +ATOM 546 CD1 TRP D 141 -1.461 62.500 -9.103 1.00 25.20 C +ATOM 547 CD2 TRP D 141 -1.745 63.207 -7.000 1.00 22.06 C +ATOM 548 NE1 TRP D 141 -2.039 61.479 -8.387 1.00 26.15 N +ATOM 549 CE2 TRP D 141 -2.213 61.887 -7.090 1.00 22.48 C +ATOM 550 CE3 TRP D 141 -1.828 63.861 -5.763 1.00 23.12 C +ATOM 551 CZ2 TRP D 141 -2.747 61.203 -5.998 1.00 23.61 C +ATOM 552 CZ3 TRP D 141 -2.362 63.173 -4.675 1.00 22.41 C +ATOM 553 CH2 TRP D 141 -2.810 61.865 -4.805 1.00 21.86 C +ATOM 554 N THR D 142 -0.148 67.917 -9.188 1.00 21.94 N +ATOM 555 CA THR D 142 0.719 69.091 -9.159 1.00 23.14 C +ATOM 556 C THR D 142 0.016 70.292 -8.559 1.00 22.42 C +ATOM 557 O THR D 142 0.588 71.016 -7.737 1.00 24.79 O +ATOM 558 CB THR D 142 1.170 69.401 -10.595 1.00 22.46 C +ATOM 559 OG1 THR D 142 1.912 68.282 -11.083 1.00 26.51 O +ATOM 560 CG2 THR D 142 2.156 70.546 -10.629 1.00 23.36 C +ATOM 561 N GLU D 143 -1.233 70.494 -8.966 1.00 20.86 N +ATOM 562 CA GLU D 143 -2.043 71.571 -8.417 1.00 23.60 C +ATOM 563 C GLU D 143 -2.263 71.350 -6.932 1.00 24.91 C +ATOM 564 O GLU D 143 -2.197 72.286 -6.141 1.00 28.09 O +ATOM 565 CB GLU D 143 -3.396 71.625 -9.123 1.00 24.81 C +ATOM 566 CG GLU D 143 -3.319 72.063 -10.571 1.00 26.42 C +ATOM 567 CD GLU D 143 -2.593 73.378 -10.736 1.00 32.66 C +ATOM 568 OE1 GLU D 143 -2.906 74.342 -9.993 1.00 28.75 O +ATOM 569 OE2 GLU D 143 -1.692 73.430 -11.604 1.00 37.63 O +ATOM 570 N HIS D 144 -2.533 70.101 -6.567 1.00 21.86 N +ATOM 571 CA HIS D 144 -2.707 69.724 -5.175 1.00 22.60 C +ATOM 572 C HIS D 144 -1.449 70.101 -4.376 1.00 25.05 C +ATOM 573 O HIS D 144 -1.539 70.651 -3.285 1.00 28.75 O +ATOM 574 CB HIS D 144 -2.966 68.228 -5.108 1.00 16.67 C +ATOM 575 CG HIS D 144 -3.757 67.789 -3.914 1.00 18.74 C +ATOM 576 ND1 HIS D 144 -4.501 66.630 -3.915 1.00 20.41 N +ATOM 577 CD2 HIS D 144 -3.864 68.303 -2.667 1.00 17.72 C +ATOM 578 CE1 HIS D 144 -5.046 66.457 -2.726 1.00 21.51 C +ATOM 579 NE2 HIS D 144 -4.676 67.460 -1.951 1.00 19.57 N +ATOM 580 N ALA D 145 -0.281 69.830 -4.948 1.00 24.51 N +ATOM 581 CA ALA D 145 0.982 70.115 -4.276 1.00 26.86 C +ATOM 582 C ALA D 145 1.277 71.613 -4.229 1.00 25.72 C +ATOM 583 O ALA D 145 1.743 72.136 -3.219 1.00 27.29 O +ATOM 584 CB ALA D 145 2.114 69.355 -4.951 1.00 22.04 C +ATOM 585 N LYS D 146 0.966 72.301 -5.320 1.00 28.90 N +ATOM 586 CA LYS D 146 1.164 73.742 -5.413 1.00 30.64 C +ATOM 587 C LYS D 146 0.388 74.496 -4.336 1.00 32.78 C +ATOM 588 O LYS D 146 0.886 75.448 -3.737 1.00 33.09 O +ATOM 589 CB LYS D 146 0.740 74.222 -6.801 1.00 34.06 C +ATOM 590 CG LYS D 146 1.168 75.639 -7.132 1.00 41.91 C +ATOM 591 CD LYS D 146 0.490 76.167 -8.393 1.00 46.63 C +ATOM 592 CE LYS D 146 0.595 77.700 -8.457 1.00 50.17 C +ATOM 593 NZ LYS D 146 -0.022 78.284 -9.686 1.00 50.99 N +ATOM 594 N TRP D 147 -0.837 74.059 -4.084 1.00 31.47 N +ATOM 595 CA TRP D 147 -1.745 74.831 -3.254 1.00 26.34 C +ATOM 596 C TRP D 147 -1.876 74.326 -1.833 1.00 24.57 C +ATOM 597 O TRP D 147 -2.100 75.112 -0.922 1.00 27.34 O +ATOM 598 CB TRP D 147 -3.124 74.894 -3.922 1.00 28.59 C +ATOM 599 CG TRP D 147 -3.079 75.644 -5.200 1.00 29.73 C +ATOM 600 CD1 TRP D 147 -3.175 75.131 -6.453 1.00 27.56 C +ATOM 601 CD2 TRP D 147 -2.872 77.050 -5.353 1.00 29.53 C +ATOM 602 NE1 TRP D 147 -3.078 76.134 -7.384 1.00 31.75 N +ATOM 603 CE2 TRP D 147 -2.884 77.326 -6.735 1.00 31.11 C +ATOM 604 CE3 TRP D 147 -2.684 78.115 -4.456 1.00 30.57 C +ATOM 605 CZ2 TRP D 147 -2.719 78.619 -7.248 1.00 34.08 C +ATOM 606 CZ3 TRP D 147 -2.526 79.403 -4.959 1.00 31.67 C +ATOM 607 CH2 TRP D 147 -2.542 79.641 -6.346 1.00 35.78 C +ATOM 608 N PHE D 148 -1.758 73.016 -1.638 1.00 26.74 N +ATOM 609 CA PHE D 148 -2.008 72.431 -0.321 1.00 25.61 C +ATOM 610 C PHE D 148 -0.874 71.501 0.059 1.00 26.93 C +ATOM 611 O PHE D 148 -1.081 70.294 0.242 1.00 21.17 O +ATOM 612 CB PHE D 148 -3.369 71.719 -0.329 1.00 27.44 C +ATOM 613 CG PHE D 148 -4.416 72.457 -1.128 1.00 24.78 C +ATOM 614 CD1 PHE D 148 -4.856 73.715 -0.724 1.00 25.98 C +ATOM 615 CD2 PHE D 148 -4.943 71.909 -2.290 1.00 27.68 C +ATOM 616 CE1 PHE D 148 -5.798 74.420 -1.471 1.00 25.16 C +ATOM 617 CE2 PHE D 148 -5.904 72.593 -3.028 1.00 23.60 C +ATOM 618 CZ PHE D 148 -6.317 73.857 -2.628 1.00 21.64 C +ATOM 619 N PRO D 149 0.336 72.060 0.183 1.00 26.70 N +ATOM 620 CA PRO D 149 1.535 71.237 0.383 1.00 23.82 C +ATOM 621 C PRO D 149 1.495 70.371 1.645 1.00 25.69 C +ATOM 622 O PRO D 149 2.146 69.331 1.667 1.00 26.83 O +ATOM 623 CB PRO D 149 2.671 72.269 0.476 1.00 26.41 C +ATOM 624 CG PRO D 149 2.014 73.554 0.785 1.00 25.43 C +ATOM 625 CD PRO D 149 0.654 73.501 0.156 1.00 23.12 C +ATOM 626 N SER D 150 0.730 70.759 2.661 1.00 25.91 N +ATOM 627 CA SER D 150 0.719 69.991 3.906 1.00 25.74 C +ATOM 628 C SER D 150 -0.331 68.874 3.929 1.00 26.87 C +ATOM 629 O SER D 150 -0.454 68.135 4.917 1.00 24.15 O +ATOM 630 CB SER D 150 0.572 70.925 5.109 1.00 32.62 C +ATOM 631 OG SER D 150 -0.686 71.574 5.090 1.00 44.02 O +ATOM 632 N CYS D 151 -1.083 68.740 2.842 1.00 23.61 N +ATOM 633 CA CYS D 151 -2.092 67.689 2.749 1.00 20.27 C +ATOM 634 C CYS D 151 -1.474 66.318 2.921 1.00 23.38 C +ATOM 635 O CYS D 151 -0.609 65.913 2.141 1.00 24.04 O +ATOM 636 CB CYS D 151 -2.828 67.745 1.408 1.00 18.98 C +ATOM 637 SG CYS D 151 -3.962 66.358 1.264 1.00 23.58 S +ATOM 638 N GLN D 152 -1.954 65.585 3.921 1.00 25.41 N +ATOM 639 CA GLN D 152 -1.360 64.301 4.269 1.00 26.89 C +ATOM 640 C GLN D 152 -1.691 63.227 3.268 1.00 28.57 C +ATOM 641 O GLN D 152 -0.937 62.268 3.107 1.00 24.82 O +ATOM 642 CB GLN D 152 -1.783 63.872 5.670 1.00 29.36 C +ATOM 643 CG GLN D 152 -1.148 64.739 6.773 1.00 38.30 C +ATOM 644 CD GLN D 152 -1.852 64.584 8.107 1.00 41.46 C +ATOM 645 OE1 GLN D 152 -1.724 63.552 8.764 1.00 47.70 O +ATOM 646 NE2 GLN D 152 -2.608 65.597 8.500 1.00 43.36 N +ATOM 647 N PHE D 153 -2.824 63.381 2.588 1.00 26.67 N +ATOM 648 CA PHE D 153 -3.171 62.423 1.555 1.00 23.57 C +ATOM 649 C PHE D 153 -2.226 62.612 0.368 1.00 16.73 C +ATOM 650 O PHE D 153 -1.705 61.656 -0.178 1.00 21.58 O +ATOM 651 CB PHE D 153 -4.614 62.608 1.098 1.00 20.83 C +ATOM 652 CG PHE D 153 -4.931 61.848 -0.131 1.00 19.14 C +ATOM 653 CD1 PHE D 153 -5.028 60.455 -0.082 1.00 14.69 C +ATOM 654 CD2 PHE D 153 -5.070 62.504 -1.345 1.00 16.38 C +ATOM 655 CE1 PHE D 153 -5.305 59.727 -1.212 1.00 16.99 C +ATOM 656 CE2 PHE D 153 -5.352 61.781 -2.502 1.00 16.23 C +ATOM 657 CZ PHE D 153 -5.471 60.375 -2.431 1.00 16.40 C +ATOM 658 N LEU D 154 -2.041 63.865 -0.024 1.00 19.14 N +ATOM 659 CA LEU D 154 -1.068 64.222 -1.031 1.00 21.13 C +ATOM 660 C LEU D 154 0.301 63.675 -0.639 1.00 23.64 C +ATOM 661 O LEU D 154 0.911 62.929 -1.404 1.00 22.88 O +ATOM 662 CB LEU D 154 -1.041 65.744 -1.192 1.00 20.86 C +ATOM 663 CG LEU D 154 0.163 66.376 -1.888 1.00 23.07 C +ATOM 664 CD1 LEU D 154 0.190 66.033 -3.374 1.00 25.65 C +ATOM 665 CD2 LEU D 154 0.104 67.879 -1.686 1.00 24.06 C +ATOM 666 N LEU D 155 0.748 63.995 0.577 1.00 24.51 N +ATOM 667 CA LEU D 155 2.063 63.553 1.056 1.00 26.65 C +ATOM 668 C LEU D 155 2.237 62.036 1.080 1.00 27.18 C +ATOM 669 O LEU D 155 3.248 61.530 0.585 1.00 26.82 O +ATOM 670 CB LEU D 155 2.402 64.184 2.415 1.00 24.02 C +ATOM 671 CG LEU D 155 2.668 65.701 2.360 1.00 26.95 C +ATOM 672 CD1 LEU D 155 2.789 66.280 3.764 1.00 23.20 C +ATOM 673 CD2 LEU D 155 3.935 66.046 1.537 1.00 27.63 C +ATOM 674 N ARG D 156 1.249 61.314 1.607 1.00 26.21 N +ATOM 675 CA ARG D 156 1.293 59.852 1.627 1.00 29.89 C +ATOM 676 C ARG D 156 1.379 59.279 0.210 1.00 27.51 C +ATOM 677 O ARG D 156 2.105 58.312 -0.033 1.00 27.05 O +ATOM 678 CB ARG D 156 0.046 59.264 2.302 1.00 35.45 C +ATOM 679 CG ARG D 156 0.035 59.218 3.824 1.00 49.99 C +ATOM 680 CD ARG D 156 -1.162 58.428 4.418 1.00 55.99 C +ATOM 681 NE ARG D 156 -2.370 59.247 4.618 1.00 61.67 N +ATOM 682 CZ ARG D 156 -3.502 59.153 3.898 1.00 62.28 C +ATOM 683 NH1 ARG D 156 -3.623 58.282 2.900 1.00 58.28 N +ATOM 684 NH2 ARG D 156 -4.524 59.946 4.178 1.00 63.14 N +ATOM 685 N SER D 157 0.625 59.869 -0.717 1.00 24.37 N +ATOM 686 CA SER D 157 0.529 59.324 -2.067 1.00 25.25 C +ATOM 687 C SER D 157 1.749 59.687 -2.883 1.00 20.84 C +ATOM 688 O SER D 157 2.338 58.827 -3.517 1.00 21.57 O +ATOM 689 CB SER D 157 -0.723 59.836 -2.810 1.00 26.57 C +ATOM 690 OG SER D 157 -1.863 59.870 -1.981 1.00 28.32 O +ATOM 691 N LYS D 158 2.113 60.966 -2.863 1.00 23.02 N +ATOM 692 CA LYS D 158 3.107 61.497 -3.796 1.00 25.10 C +ATOM 693 C LYS D 158 4.472 61.747 -3.178 1.00 28.33 C +ATOM 694 O LYS D 158 5.442 61.902 -3.913 1.00 23.79 O +ATOM 695 CB LYS D 158 2.596 62.775 -4.473 1.00 26.73 C +ATOM 696 CG LYS D 158 1.394 62.544 -5.389 1.00 35.14 C +ATOM 697 CD LYS D 158 1.798 61.936 -6.731 1.00 38.03 C +ATOM 698 CE LYS D 158 1.569 60.432 -6.745 1.00 42.47 C +ATOM 699 NZ LYS D 158 0.832 59.929 -7.958 1.00 42.54 N +ATOM 700 N GLY D 159 4.534 61.795 -1.843 1.00 26.16 N +ATOM 701 CA GLY D 159 5.786 61.990 -1.129 1.00 28.92 C +ATOM 702 C GLY D 159 6.163 63.438 -0.920 1.00 27.85 C +ATOM 703 O GLY D 159 5.734 64.313 -1.669 1.00 25.15 O +ATOM 704 N ARG D 160 6.982 63.687 0.101 1.00 29.66 N +ATOM 705 CA ARG D 160 7.488 65.027 0.396 1.00 30.01 C +ATOM 706 C ARG D 160 8.349 65.576 -0.739 1.00 29.74 C +ATOM 707 O ARG D 160 8.323 66.783 -1.032 1.00 28.46 O +ATOM 708 CB ARG D 160 8.278 65.011 1.701 1.00 40.13 C +ATOM 709 CG ARG D 160 8.325 66.336 2.431 1.00 54.93 C +ATOM 710 CD ARG D 160 9.214 66.348 3.681 1.00 64.74 C +ATOM 711 NE ARG D 160 9.227 65.063 4.386 1.00 71.02 N +ATOM 712 CZ ARG D 160 10.304 64.292 4.533 1.00 74.84 C +ATOM 713 NH1 ARG D 160 11.476 64.664 4.021 1.00 75.22 N +ATOM 714 NH2 ARG D 160 10.209 63.142 5.191 1.00 75.82 N +ATOM 715 N ASP D 161 9.097 64.698 -1.400 1.00 25.70 N +ATOM 716 CA ASP D 161 9.962 65.164 -2.472 1.00 31.63 C +ATOM 717 C ASP D 161 9.178 65.818 -3.598 1.00 31.34 C +ATOM 718 O ASP D 161 9.541 66.904 -4.068 1.00 29.52 O +ATOM 719 CB ASP D 161 10.830 64.031 -3.007 1.00 40.11 C +ATOM 720 CG ASP D 161 11.986 63.714 -2.092 1.00 46.17 C +ATOM 721 OD1 ASP D 161 12.000 64.223 -0.937 1.00 47.98 O +ATOM 722 OD2 ASP D 161 12.919 62.960 -2.443 1.00 48.28 O +ATOM 723 N PHE D 162 8.107 65.154 -4.026 1.00 27.42 N +ATOM 724 CA PHE D 162 7.274 65.667 -5.109 1.00 26.11 C +ATOM 725 C PHE D 162 6.727 67.032 -4.740 1.00 23.86 C +ATOM 726 O PHE D 162 6.803 67.962 -5.525 1.00 29.55 O +ATOM 727 CB PHE D 162 6.134 64.700 -5.409 1.00 26.97 C +ATOM 728 CG PHE D 162 5.114 65.237 -6.374 1.00 28.05 C +ATOM 729 CD1 PHE D 162 5.353 65.212 -7.752 1.00 25.85 C +ATOM 730 CD2 PHE D 162 3.906 65.759 -5.906 1.00 27.42 C +ATOM 731 CE1 PHE D 162 4.393 65.695 -8.648 1.00 31.70 C +ATOM 732 CE2 PHE D 162 2.939 66.246 -6.795 1.00 25.84 C +ATOM 733 CZ PHE D 162 3.181 66.219 -8.160 1.00 25.81 C +ATOM 734 N VAL D 163 6.194 67.150 -3.532 1.00 23.75 N +ATOM 735 CA VAL D 163 5.576 68.392 -3.080 1.00 28.01 C +ATOM 736 C VAL D 163 6.603 69.519 -2.971 1.00 33.00 C +ATOM 737 O VAL D 163 6.351 70.660 -3.402 1.00 31.86 O +ATOM 738 CB VAL D 163 4.865 68.180 -1.729 1.00 29.12 C +ATOM 739 CG1 VAL D 163 4.243 69.469 -1.231 1.00 29.67 C +ATOM 740 CG2 VAL D 163 3.806 67.088 -1.855 1.00 28.22 C +ATOM 741 N HIS D 164 7.758 69.188 -2.397 1.00 32.58 N +ATOM 742 CA HIS D 164 8.866 70.127 -2.269 1.00 36.53 C +ATOM 743 C HIS D 164 9.297 70.621 -3.644 1.00 34.33 C +ATOM 744 O HIS D 164 9.497 71.816 -3.840 1.00 38.12 O +ATOM 745 CB HIS D 164 10.043 69.467 -1.548 1.00 41.54 C +ATOM 746 CG HIS D 164 11.138 70.417 -1.180 1.00 50.65 C +ATOM 747 ND1 HIS D 164 12.213 70.671 -2.007 1.00 55.13 N +ATOM 748 CD2 HIS D 164 11.328 71.172 -0.071 1.00 54.32 C +ATOM 749 CE1 HIS D 164 13.014 71.546 -1.425 1.00 57.75 C +ATOM 750 NE2 HIS D 164 12.500 71.867 -0.251 1.00 57.66 N +ATOM 751 N SER D 165 9.410 69.703 -4.596 1.00 31.09 N +ATOM 752 CA SER D 165 9.836 70.059 -5.943 1.00 36.04 C +ATOM 753 C SER D 165 8.814 70.976 -6.631 1.00 39.12 C +ATOM 754 O SER D 165 9.190 71.930 -7.313 1.00 41.31 O +ATOM 755 CB SER D 165 10.116 68.802 -6.765 1.00 38.09 C +ATOM 756 OG SER D 165 9.240 68.711 -7.869 1.00 49.46 O +ATOM 757 N VAL D 166 7.527 70.699 -6.425 1.00 35.74 N +ATOM 758 CA VAL D 166 6.460 71.547 -6.953 1.00 33.87 C +ATOM 759 C VAL D 166 6.464 72.921 -6.276 1.00 36.90 C +ATOM 760 O VAL D 166 6.265 73.934 -6.940 1.00 37.45 O +ATOM 761 CB VAL D 166 5.078 70.858 -6.822 1.00 32.25 C +ATOM 762 CG1 VAL D 166 3.931 71.832 -7.109 1.00 26.47 C +ATOM 763 CG2 VAL D 166 5.014 69.658 -7.748 1.00 27.14 C +ATOM 764 N GLN D 167 6.703 72.946 -4.965 1.00 41.34 N +ATOM 765 CA GLN D 167 6.705 74.192 -4.198 1.00 49.39 C +ATOM 766 C GLN D 167 7.837 75.123 -4.617 1.00 58.35 C +ATOM 767 O GLN D 167 7.711 76.345 -4.516 1.00 60.79 O +ATOM 768 CB GLN D 167 6.804 73.917 -2.694 1.00 46.86 C +ATOM 769 CG GLN D 167 5.487 73.552 -2.020 1.00 44.17 C +ATOM 770 CD GLN D 167 4.483 74.692 -2.019 1.00 45.87 C +ATOM 771 OE1 GLN D 167 4.729 75.741 -1.424 1.00 49.56 O +ATOM 772 NE2 GLN D 167 3.348 74.486 -2.680 1.00 43.19 N +ATOM 773 N GLU D 168 8.935 74.540 -5.089 1.00 65.86 N +ATOM 774 CA GLU D 168 10.113 75.308 -5.476 1.00 74.34 C +ATOM 775 C GLU D 168 10.007 75.891 -6.885 1.00 77.69 C +ATOM 776 O GLU D 168 10.599 76.935 -7.172 1.00 80.27 O +ATOM 777 CB GLU D 168 11.381 74.468 -5.330 1.00 77.79 C +ATOM 778 CG GLU D 168 12.237 74.874 -4.142 1.00 81.73 C +ATOM 779 CD GLU D 168 13.540 74.099 -4.050 1.00 85.06 C +ATOM 780 OE1 GLU D 168 13.777 73.197 -4.892 1.00 86.21 O +ATOM 781 OE2 GLU D 168 14.329 74.396 -3.127 1.00 85.21 O +ATOM 782 N THR D 169 9.269 75.214 -7.764 1.00 79.81 N +ATOM 783 CA THR D 169 8.906 75.791 -9.055 1.00 82.28 C +ATOM 784 C THR D 169 7.713 76.724 -8.829 1.00 85.54 C +ATOM 785 O THR D 169 6.632 76.518 -9.383 1.00 86.04 O +ATOM 786 CB THR D 169 8.596 74.692 -10.113 1.00 82.34 C +ATOM 787 OG1 THR D 169 7.442 73.942 -9.718 1.00 84.35 O +ATOM 788 CG2 THR D 169 9.699 73.637 -10.160 1.00 81.77 C +ATOM 789 N HIS D 170 7.945 77.744 -7.996 1.00 90.33 N +ATOM 790 CA HIS D 170 6.930 78.680 -7.481 1.00 95.19 C +ATOM 791 C HIS D 170 5.527 78.560 -8.085 1.00 95.71 C +ATOM 792 O HIS D 170 4.637 77.945 -7.492 1.00 95.73 O +ATOM 793 CB HIS D 170 7.428 80.137 -7.561 1.00 98.85 C +ATOM 794 CG HIS D 170 8.361 80.406 -8.705 1.00101.76 C +ATOM 795 ND1 HIS D 170 7.930 80.513 -10.011 1.00102.38 N +ATOM 796 CD2 HIS D 170 9.703 80.596 -8.736 1.00102.45 C +ATOM 797 CE1 HIS D 170 8.965 80.753 -10.797 1.00102.42 C +ATOM 798 NE2 HIS D 170 10.053 80.808 -10.048 1.00102.47 N Added: SwiftApps/modFTdock/input/indata/1oxn-5.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1oxn-5.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1oxn-5.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,784 @@ +ATOM 1 N GLY E 78 9.986 54.830 14.869 1.00 35.22 N +ATOM 2 CA GLY E 78 11.017 55.805 14.409 1.00 31.46 C +ATOM 3 C GLY E 78 12.138 55.125 13.646 1.00 26.73 C +ATOM 4 O GLY E 78 12.063 53.924 13.347 1.00 29.30 O +ATOM 5 N PRO E 79 13.191 55.881 13.353 1.00 26.68 N +ATOM 6 CA PRO E 79 14.327 55.362 12.584 1.00 24.15 C +ATOM 7 C PRO E 79 15.048 54.240 13.325 1.00 20.38 C +ATOM 8 O PRO E 79 15.119 54.251 14.550 1.00 21.62 O +ATOM 9 CB PRO E 79 15.247 56.579 12.459 1.00 23.56 C +ATOM 10 CG PRO E 79 14.374 57.767 12.729 1.00 25.91 C +ATOM 11 CD PRO E 79 13.384 57.296 13.734 1.00 27.21 C +ATOM 12 N ALA E 80 15.579 53.288 12.577 1.00 20.41 N +ATOM 13 CA ALA E 80 16.461 52.260 13.142 1.00 19.18 C +ATOM 14 C ALA E 80 17.693 52.899 13.761 1.00 21.56 C +ATOM 15 O ALA E 80 18.210 52.424 14.769 1.00 24.32 O +ATOM 16 CB ALA E 80 16.872 51.284 12.057 1.00 15.94 C +ATOM 17 N PHE E 81 18.143 53.999 13.164 1.00 23.01 N +ATOM 18 CA PHE E 81 19.397 54.623 13.555 1.00 21.37 C +ATOM 19 C PHE E 81 19.167 56.120 13.515 1.00 20.77 C +ATOM 20 O PHE E 81 19.520 56.789 12.539 1.00 19.05 O +ATOM 21 CB PHE E 81 20.495 54.183 12.577 1.00 21.51 C +ATOM 22 CG PHE E 81 21.871 54.714 12.880 1.00 22.24 C +ATOM 23 CD1 PHE E 81 22.136 55.473 14.016 1.00 20.38 C +ATOM 24 CD2 PHE E 81 22.914 54.445 12.001 1.00 21.80 C +ATOM 25 CE1 PHE E 81 23.430 55.958 14.269 1.00 19.63 C +ATOM 26 CE2 PHE E 81 24.197 54.919 12.243 1.00 18.67 C +ATOM 27 CZ PHE E 81 24.453 55.678 13.376 1.00 21.70 C +ATOM 28 N PRO E 82 18.553 56.648 14.574 1.00 20.86 N +ATOM 29 CA PRO E 82 18.226 58.070 14.642 1.00 21.71 C +ATOM 30 C PRO E 82 19.432 58.972 14.436 1.00 23.50 C +ATOM 31 O PRO E 82 19.280 60.054 13.861 1.00 26.58 O +ATOM 32 CB PRO E 82 17.671 58.241 16.062 1.00 22.07 C +ATOM 33 CG PRO E 82 17.173 56.908 16.419 1.00 21.06 C +ATOM 34 CD PRO E 82 18.107 55.926 15.781 1.00 19.91 C +ATOM 35 N GLY E 83 20.609 58.527 14.860 1.00 22.71 N +ATOM 36 CA GLY E 83 21.802 59.349 14.758 1.00 21.77 C +ATOM 37 C GLY E 83 22.196 59.683 13.322 1.00 23.03 C +ATOM 38 O GLY E 83 22.981 60.583 13.110 1.00 20.65 O +ATOM 39 N MET E 84 21.660 58.967 12.335 1.00 19.39 N +ATOM 40 CA MET E 84 21.944 59.299 10.948 1.00 17.97 C +ATOM 41 C MET E 84 20.733 59.926 10.264 1.00 20.43 C +ATOM 42 O MET E 84 20.610 59.898 9.038 1.00 21.94 O +ATOM 43 CB MET E 84 22.509 58.093 10.190 1.00 19.52 C +ATOM 44 CG MET E 84 24.032 57.966 10.334 1.00 30.08 C +ATOM 45 SD MET E 84 24.847 59.372 9.516 1.00 34.34 S +ATOM 46 CE MET E 84 26.263 58.715 9.067 1.00 36.75 C +ATOM 47 N GLY E 85 19.847 60.514 11.070 1.00 19.21 N +ATOM 48 CA GLY E 85 18.668 61.179 10.543 1.00 16.53 C +ATOM 49 C GLY E 85 18.983 62.467 9.795 1.00 23.10 C +ATOM 50 O GLY E 85 18.184 62.928 8.991 1.00 21.94 O +ATOM 51 N SER E 86 20.155 63.042 10.045 1.00 18.24 N +ATOM 52 CA SER E 86 20.565 64.259 9.359 1.00 19.35 C +ATOM 53 C SER E 86 21.154 63.938 7.980 1.00 20.09 C +ATOM 54 O SER E 86 22.162 63.222 7.861 1.00 19.99 O +ATOM 55 CB SER E 86 21.583 65.025 10.204 1.00 21.96 C +ATOM 56 OG SER E 86 22.326 65.911 9.396 1.00 27.44 O +ATOM 57 N GLU E 87 20.525 64.476 6.941 1.00 19.69 N +ATOM 58 CA GLU E 87 21.016 64.298 5.578 1.00 22.00 C +ATOM 59 C GLU E 87 22.455 64.794 5.408 1.00 21.24 C +ATOM 60 O GLU E 87 23.257 64.169 4.725 1.00 18.61 O +ATOM 61 CB GLU E 87 20.113 65.001 4.563 1.00 21.18 C +ATOM 62 CG GLU E 87 20.581 64.765 3.130 1.00 27.35 C +ATOM 63 CD GLU E 87 19.672 65.372 2.107 1.00 33.33 C +ATOM 64 OE1 GLU E 87 18.573 65.818 2.489 1.00 35.26 O +ATOM 65 OE2 GLU E 87 20.063 65.404 0.924 1.00 39.30 O +ATOM 66 N GLU E 88 22.754 65.925 6.033 1.00 25.06 N +ATOM 67 CA GLU E 88 24.083 66.518 6.023 1.00 28.88 C +ATOM 68 C GLU E 88 25.101 65.515 6.546 1.00 23.90 C +ATOM 69 O GLU E 88 26.132 65.261 5.914 1.00 25.82 O +ATOM 70 CB GLU E 88 24.077 67.781 6.895 1.00 35.71 C +ATOM 71 CG GLU E 88 25.054 68.855 6.447 1.00 51.07 C +ATOM 72 CD GLU E 88 25.261 69.932 7.501 1.00 58.46 C +ATOM 73 OE1 GLU E 88 24.267 70.609 7.867 1.00 62.15 O +ATOM 74 OE2 GLU E 88 26.419 70.109 7.955 1.00 58.60 O +ATOM 75 N LEU E 89 24.793 64.929 7.698 1.00 19.44 N +ATOM 76 CA LEU E 89 25.657 63.938 8.303 1.00 20.60 C +ATOM 77 C LEU E 89 25.773 62.703 7.404 1.00 18.32 C +ATOM 78 O LEU E 89 26.842 62.154 7.243 1.00 20.30 O +ATOM 79 CB LEU E 89 25.143 63.546 9.685 1.00 25.40 C +ATOM 80 CG LEU E 89 26.039 63.642 10.924 1.00 36.96 C +ATOM 81 CD1 LEU E 89 25.708 62.487 11.902 1.00 33.07 C +ATOM 82 CD2 LEU E 89 27.550 63.694 10.606 1.00 34.92 C +ATOM 83 N ARG E 90 24.676 62.280 6.795 1.00 17.56 N +ATOM 84 CA ARG E 90 24.752 61.141 5.886 1.00 17.15 C +ATOM 85 C ARG E 90 25.647 61.464 4.690 1.00 19.19 C +ATOM 86 O ARG E 90 26.379 60.611 4.213 1.00 20.45 O +ATOM 87 CB ARG E 90 23.369 60.746 5.407 1.00 14.68 C +ATOM 88 CG ARG E 90 22.482 60.129 6.471 1.00 18.18 C +ATOM 89 CD ARG E 90 21.304 59.350 5.889 1.00 17.06 C +ATOM 90 NE ARG E 90 20.437 60.185 5.042 1.00 17.85 N +ATOM 91 CZ ARG E 90 19.475 60.988 5.504 1.00 16.01 C +ATOM 92 NH1 ARG E 90 19.255 61.084 6.803 1.00 16.75 N +ATOM 93 NH2 ARG E 90 18.723 61.695 4.666 1.00 16.25 N +ATOM 94 N LEU E 91 25.574 62.699 4.201 1.00 20.18 N +ATOM 95 CA LEU E 91 26.416 63.112 3.093 1.00 19.69 C +ATOM 96 C LEU E 91 27.882 63.098 3.526 1.00 16.74 C +ATOM 97 O LEU E 91 28.751 62.648 2.782 1.00 16.50 O +ATOM 98 CB LEU E 91 26.028 64.511 2.626 1.00 21.26 C +ATOM 99 CG LEU E 91 26.095 64.894 1.136 1.00 24.75 C +ATOM 100 CD1 LEU E 91 26.515 66.369 0.979 1.00 21.36 C +ATOM 101 CD2 LEU E 91 26.940 63.969 0.277 1.00 20.77 C +ATOM 102 N ALA E 92 28.135 63.599 4.729 1.00 13.48 N +ATOM 103 CA ALA E 92 29.483 63.672 5.280 1.00 16.68 C +ATOM 104 C ALA E 92 30.105 62.287 5.331 1.00 20.65 C +ATOM 105 O ALA E 92 31.310 62.139 5.138 1.00 23.32 O +ATOM 106 CB ALA E 92 29.461 64.292 6.657 1.00 14.05 C +ATOM 107 N SER E 93 29.270 61.275 5.550 1.00 17.39 N +ATOM 108 CA SER E 93 29.747 59.900 5.661 1.00 18.99 C +ATOM 109 C SER E 93 30.368 59.409 4.365 1.00 15.39 C +ATOM 110 O SER E 93 31.061 58.395 4.359 1.00 22.96 O +ATOM 111 CB SER E 93 28.622 58.953 6.113 1.00 16.36 C +ATOM 112 OG SER E 93 27.753 58.619 5.027 1.00 16.73 O +ATOM 113 N PHE E 94 30.116 60.122 3.269 1.00 15.61 N +ATOM 114 CA PHE E 94 30.614 59.692 1.965 1.00 16.93 C +ATOM 115 C PHE E 94 31.974 60.289 1.622 1.00 19.07 C +ATOM 116 O PHE E 94 32.398 60.228 0.471 1.00 18.79 O +ATOM 117 CB PHE E 94 29.593 59.992 0.848 1.00 16.85 C +ATOM 118 CG PHE E 94 28.372 59.100 0.881 1.00 17.33 C +ATOM 119 CD1 PHE E 94 28.364 57.884 0.206 1.00 17.91 C +ATOM 120 CD2 PHE E 94 27.230 59.491 1.567 1.00 16.19 C +ATOM 121 CE1 PHE E 94 27.244 57.058 0.228 1.00 20.75 C +ATOM 122 CE2 PHE E 94 26.100 58.677 1.597 1.00 16.31 C +ATOM 123 CZ PHE E 94 26.112 57.448 0.938 1.00 16.57 C +ATOM 124 N TYR E 95 32.659 60.854 2.617 1.00 15.63 N +ATOM 125 CA TYR E 95 33.951 61.489 2.383 1.00 21.85 C +ATOM 126 C TYR E 95 34.999 60.561 1.711 1.00 24.22 C +ATOM 127 O TYR E 95 35.896 61.047 1.037 1.00 27.19 O +ATOM 128 CB TYR E 95 34.492 62.082 3.689 1.00 20.41 C +ATOM 129 CG TYR E 95 34.902 61.039 4.685 1.00 21.49 C +ATOM 130 CD1 TYR E 95 36.180 60.504 4.669 1.00 20.51 C +ATOM 131 CD2 TYR E 95 34.001 60.566 5.633 1.00 27.14 C +ATOM 132 CE1 TYR E 95 36.564 59.528 5.580 1.00 22.19 C +ATOM 133 CE2 TYR E 95 34.367 59.587 6.542 1.00 30.87 C +ATOM 134 CZ TYR E 95 35.651 59.071 6.511 1.00 29.67 C +ATOM 135 OH TYR E 95 36.015 58.106 7.425 1.00 35.34 O +ATOM 136 N ASP E 96 34.875 59.248 1.914 1.00 23.46 N +ATOM 137 CA ASP E 96 35.728 58.246 1.271 1.00 26.61 C +ATOM 138 C ASP E 96 34.930 57.304 0.359 1.00 24.84 C +ATOM 139 O ASP E 96 35.313 56.148 0.153 1.00 24.43 O +ATOM 140 CB ASP E 96 36.474 57.413 2.322 1.00 32.16 C +ATOM 141 CG ASP E 96 37.849 57.986 2.684 1.00 45.74 C +ATOM 142 OD1 ASP E 96 38.314 58.949 2.027 1.00 45.92 O +ATOM 143 OD2 ASP E 96 38.544 57.525 3.627 1.00 51.74 O +ATOM 144 N TRP E 97 33.807 57.783 -0.157 1.00 22.04 N +ATOM 145 CA TRP E 97 33.051 57.039 -1.165 1.00 22.23 C +ATOM 146 C TRP E 97 33.962 56.766 -2.361 1.00 26.90 C +ATOM 147 O TRP E 97 34.583 57.691 -2.895 1.00 28.43 O +ATOM 148 CB TRP E 97 31.865 57.871 -1.613 1.00 18.30 C +ATOM 149 CG TRP E 97 30.877 57.228 -2.542 1.00 17.68 C +ATOM 150 CD1 TRP E 97 30.519 57.674 -3.789 1.00 16.23 C +ATOM 151 CD2 TRP E 97 30.082 56.061 -2.294 1.00 16.42 C +ATOM 152 NE1 TRP E 97 29.552 56.857 -4.326 1.00 16.45 N +ATOM 153 CE2 TRP E 97 29.261 55.862 -3.429 1.00 15.75 C +ATOM 154 CE3 TRP E 97 29.969 55.164 -1.224 1.00 13.44 C +ATOM 155 CZ2 TRP E 97 28.365 54.800 -3.530 1.00 16.60 C +ATOM 156 CZ3 TRP E 97 29.068 54.114 -1.325 1.00 18.88 C +ATOM 157 CH2 TRP E 97 28.279 53.941 -2.469 1.00 17.14 C +ATOM 158 N PRO E 98 34.049 55.501 -2.774 1.00 28.90 N +ATOM 159 CA PRO E 98 34.916 55.127 -3.895 1.00 29.79 C +ATOM 160 C PRO E 98 34.425 55.757 -5.197 1.00 31.47 C +ATOM 161 O PRO E 98 33.223 55.739 -5.501 1.00 30.03 O +ATOM 162 CB PRO E 98 34.835 53.594 -3.922 1.00 26.09 C +ATOM 163 CG PRO E 98 33.587 53.257 -3.184 1.00 27.00 C +ATOM 164 CD PRO E 98 33.341 54.342 -2.202 1.00 25.07 C +ATOM 165 N LEU E 99 35.362 56.336 -5.942 1.00 33.80 N +ATOM 166 CA LEU E 99 35.058 56.952 -7.229 1.00 35.25 C +ATOM 167 C LEU E 99 34.507 55.941 -8.224 1.00 32.41 C +ATOM 168 O LEU E 99 33.700 56.292 -9.087 1.00 31.89 O +ATOM 169 CB LEU E 99 36.288 57.670 -7.805 1.00 40.96 C +ATOM 170 CG LEU E 99 36.456 59.185 -7.565 1.00 42.47 C +ATOM 171 CD1 LEU E 99 35.200 59.854 -7.016 1.00 41.95 C +ATOM 172 CD2 LEU E 99 37.625 59.444 -6.628 1.00 42.56 C +ATOM 173 N THR E 100 34.899 54.680 -8.070 1.00 31.70 N +ATOM 174 CA THR E 100 34.435 53.625 -8.973 1.00 30.23 C +ATOM 175 C THR E 100 32.942 53.339 -8.862 1.00 29.64 C +ATOM 176 O THR E 100 32.355 52.748 -9.775 1.00 28.65 O +ATOM 177 CB THR E 100 35.229 52.328 -8.754 1.00 29.80 C +ATOM 178 OG1 THR E 100 35.246 52.015 -7.361 1.00 28.91 O +ATOM 179 CG2 THR E 100 36.715 52.526 -9.113 1.00 32.82 C +ATOM 180 N ALA E 101 32.324 53.753 -7.756 1.00 31.64 N +ATOM 181 CA ALA E 101 30.894 53.487 -7.528 1.00 30.41 C +ATOM 182 C ALA E 101 30.014 54.176 -8.561 1.00 30.51 C +ATOM 183 O ALA E 101 29.063 53.581 -9.080 1.00 36.22 O +ATOM 184 CB ALA E 101 30.492 53.892 -6.131 1.00 31.50 C +ATOM 185 N GLU E 102 30.349 55.425 -8.858 1.00 26.24 N +ATOM 186 CA GLU E 102 29.695 56.207 -9.911 1.00 31.18 C +ATOM 187 C GLU E 102 28.223 56.518 -9.633 1.00 28.87 C +ATOM 188 O GLU E 102 27.433 56.709 -10.556 1.00 29.09 O +ATOM 189 CB GLU E 102 29.875 55.545 -11.284 1.00 35.91 C +ATOM 190 CG GLU E 102 30.775 56.331 -12.216 1.00 43.14 C +ATOM 191 CD GLU E 102 31.708 55.447 -13.021 1.00 44.86 C +ATOM 192 OE1 GLU E 102 31.218 54.544 -13.740 1.00 33.74 O +ATOM 193 OE2 GLU E 102 32.936 55.661 -12.921 1.00 50.15 O +ATOM 194 N VAL E 103 27.865 56.544 -8.354 1.00 25.14 N +ATOM 195 CA VAL E 103 26.555 56.991 -7.918 1.00 23.09 C +ATOM 196 C VAL E 103 26.828 58.156 -6.987 1.00 20.08 C +ATOM 197 O VAL E 103 27.622 58.023 -6.051 1.00 21.62 O +ATOM 198 CB VAL E 103 25.761 55.893 -7.166 1.00 23.11 C +ATOM 199 CG1 VAL E 103 24.436 56.434 -6.675 1.00 20.68 C +ATOM 200 CG2 VAL E 103 25.521 54.677 -8.057 1.00 21.88 C +ATOM 201 N PRO E 104 26.189 59.291 -7.264 1.00 18.24 N +ATOM 202 CA PRO E 104 26.387 60.508 -6.476 1.00 18.83 C +ATOM 203 C PRO E 104 26.009 60.304 -5.008 1.00 19.17 C +ATOM 204 O PRO E 104 24.892 59.891 -4.706 1.00 23.76 O +ATOM 205 CB PRO E 104 25.425 61.523 -7.129 1.00 16.01 C +ATOM 206 CG PRO E 104 25.095 60.962 -8.485 1.00 18.61 C +ATOM 207 CD PRO E 104 25.225 59.482 -8.371 1.00 16.02 C +ATOM 208 N PRO E 105 26.955 60.574 -4.120 1.00 18.64 N +ATOM 209 CA PRO E 105 26.704 60.631 -2.683 1.00 16.95 C +ATOM 210 C PRO E 105 25.505 61.504 -2.313 1.00 18.91 C +ATOM 211 O PRO E 105 24.732 61.127 -1.453 1.00 17.09 O +ATOM 212 CB PRO E 105 27.985 61.272 -2.157 1.00 16.22 C +ATOM 213 CG PRO E 105 29.027 60.757 -3.083 1.00 15.85 C +ATOM 214 CD PRO E 105 28.382 60.826 -4.434 1.00 19.51 C +ATOM 215 N GLU E 106 25.382 62.664 -2.940 1.00 14.62 N +ATOM 216 CA GLU E 106 24.297 63.569 -2.640 1.00 19.46 C +ATOM 217 C GLU E 106 22.953 62.875 -2.825 1.00 21.54 C +ATOM 218 O GLU E 106 22.071 63.036 -1.992 1.00 20.30 O +ATOM 219 CB GLU E 106 24.397 64.843 -3.475 1.00 21.67 C +ATOM 220 CG GLU E 106 25.423 65.832 -2.924 1.00 24.48 C +ATOM 221 CD GLU E 106 25.827 66.922 -3.917 1.00 32.31 C +ATOM 222 OE1 GLU E 106 25.005 67.293 -4.781 1.00 35.74 O +ATOM 223 OE2 GLU E 106 26.967 67.439 -3.819 1.00 30.96 O +ATOM 224 N LEU E 107 22.834 62.071 -3.878 1.00 18.46 N +ATOM 225 CA LEU E 107 21.623 61.297 -4.150 1.00 21.70 C +ATOM 226 C LEU E 107 21.441 60.185 -3.130 1.00 24.58 C +ATOM 227 O LEU E 107 20.327 59.943 -2.646 1.00 21.90 O +ATOM 228 CB LEU E 107 21.690 60.703 -5.553 1.00 21.06 C +ATOM 229 CG LEU E 107 20.801 61.258 -6.673 1.00 27.05 C +ATOM 230 CD1 LEU E 107 20.486 62.747 -6.545 1.00 24.83 C +ATOM 231 CD2 LEU E 107 21.363 60.917 -8.038 1.00 22.84 C +ATOM 232 N LEU E 108 22.542 59.516 -2.790 1.00 20.78 N +ATOM 233 CA LEU E 108 22.486 58.438 -1.821 1.00 20.18 C +ATOM 234 C LEU E 108 22.054 58.950 -0.452 1.00 19.87 C +ATOM 235 O LEU E 108 21.197 58.347 0.197 1.00 20.11 O +ATOM 236 CB LEU E 108 23.829 57.730 -1.727 1.00 19.64 C +ATOM 237 CG LEU E 108 24.117 56.797 -2.899 1.00 18.24 C +ATOM 238 CD1 LEU E 108 25.607 56.593 -3.017 1.00 18.84 C +ATOM 239 CD2 LEU E 108 23.416 55.473 -2.713 1.00 13.79 C +ATOM 240 N ALA E 109 22.628 60.071 -0.028 1.00 18.81 N +ATOM 241 CA ALA E 109 22.319 60.641 1.283 1.00 17.98 C +ATOM 242 C ALA E 109 20.880 61.164 1.350 1.00 20.30 C +ATOM 243 O ALA E 109 20.168 60.941 2.343 1.00 21.16 O +ATOM 244 CB ALA E 109 23.329 61.736 1.646 1.00 14.82 C +ATOM 245 N ALA E 110 20.447 61.844 0.290 1.00 20.38 N +ATOM 246 CA ALA E 110 19.054 62.272 0.178 1.00 21.68 C +ATOM 247 C ALA E 110 18.077 61.091 0.255 1.00 21.53 C +ATOM 248 O ALA E 110 16.995 61.238 0.795 1.00 21.78 O +ATOM 249 CB ALA E 110 18.835 63.059 -1.114 1.00 18.96 C +ATOM 250 N ALA E 111 18.470 59.935 -0.286 1.00 17.28 N +ATOM 251 CA ALA E 111 17.628 58.734 -0.288 1.00 19.67 C +ATOM 252 C ALA E 111 17.709 57.936 1.023 1.00 20.43 C +ATOM 253 O ALA E 111 17.193 56.822 1.114 1.00 16.60 O +ATOM 254 CB ALA E 111 17.972 57.832 -1.480 1.00 15.65 C +ATOM 255 N GLY E 112 18.350 58.517 2.031 1.00 16.66 N +ATOM 256 CA GLY E 112 18.346 57.953 3.370 1.00 18.58 C +ATOM 257 C GLY E 112 19.610 57.179 3.685 1.00 21.47 C +ATOM 258 O GLY E 112 19.769 56.666 4.798 1.00 20.05 O +ATOM 259 N PHE E 113 20.519 57.101 2.716 1.00 18.18 N +ATOM 260 CA PHE E 113 21.675 56.219 2.867 1.00 16.59 C +ATOM 261 C PHE E 113 22.897 56.924 3.409 1.00 19.24 C +ATOM 262 O PHE E 113 23.223 58.032 2.985 1.00 18.43 O +ATOM 263 CB PHE E 113 22.038 55.574 1.537 1.00 12.55 C +ATOM 264 CG PHE E 113 20.981 54.669 1.004 1.00 15.74 C +ATOM 265 CD1 PHE E 113 20.726 53.441 1.604 1.00 13.87 C +ATOM 266 CD2 PHE E 113 20.240 55.041 -0.101 1.00 17.36 C +ATOM 267 CE1 PHE E 113 19.737 52.604 1.094 1.00 15.33 C +ATOM 268 CE2 PHE E 113 19.247 54.201 -0.612 1.00 21.51 C +ATOM 269 CZ PHE E 113 19.007 52.983 -0.002 1.00 16.42 C +ATOM 270 N PHE E 114 23.602 56.254 4.311 1.00 19.71 N +ATOM 271 CA PHE E 114 24.935 56.691 4.681 1.00 17.77 C +ATOM 272 C PHE E 114 25.942 55.619 4.307 1.00 19.47 C +ATOM 273 O PHE E 114 25.601 54.447 4.158 1.00 21.48 O +ATOM 274 CB PHE E 114 25.029 57.023 6.177 1.00 20.23 C +ATOM 275 CG PHE E 114 24.754 55.856 7.073 1.00 21.40 C +ATOM 276 CD1 PHE E 114 25.791 55.017 7.479 1.00 20.52 C +ATOM 277 CD2 PHE E 114 23.453 55.587 7.509 1.00 20.19 C +ATOM 278 CE1 PHE E 114 25.534 53.904 8.305 1.00 21.35 C +ATOM 279 CE2 PHE E 114 23.187 54.483 8.338 1.00 20.26 C +ATOM 280 CZ PHE E 114 24.229 53.642 8.730 1.00 20.55 C +ATOM 281 N HIS E 115 27.192 56.034 4.166 1.00 15.86 N +ATOM 282 CA HIS E 115 28.261 55.124 3.804 1.00 20.45 C +ATOM 283 C HIS E 115 28.728 54.356 5.040 1.00 16.42 C +ATOM 284 O HIS E 115 29.008 54.954 6.073 1.00 19.04 O +ATOM 285 CB HIS E 115 29.413 55.919 3.192 1.00 18.72 C +ATOM 286 CG HIS E 115 30.485 55.071 2.600 1.00 19.60 C +ATOM 287 ND1 HIS E 115 31.760 55.541 2.376 1.00 18.56 N +ATOM 288 CD2 HIS E 115 30.470 53.790 2.160 1.00 16.48 C +ATOM 289 CE1 HIS E 115 32.488 54.583 1.832 1.00 20.64 C +ATOM 290 NE2 HIS E 115 31.723 53.515 1.677 1.00 18.90 N +ATOM 291 N THR E 116 28.796 53.035 4.946 1.00 19.53 N +ATOM 292 CA THR E 116 29.309 52.242 6.078 1.00 29.43 C +ATOM 293 C THR E 116 30.818 52.424 6.261 1.00 34.72 C +ATOM 294 O THR E 116 31.344 52.248 7.365 1.00 38.53 O +ATOM 295 CB THR E 116 29.025 50.773 5.885 1.00 28.92 C +ATOM 296 OG1 THR E 116 29.697 50.328 4.690 1.00 29.21 O +ATOM 297 CG2 THR E 116 27.522 50.531 5.639 1.00 28.01 C +ATOM 298 N GLY E 117 31.499 52.796 5.180 1.00 38.46 N +ATOM 299 CA GLY E 117 32.943 52.947 5.182 1.00 41.28 C +ATOM 300 C GLY E 117 33.601 51.776 4.487 1.00 43.60 C +ATOM 301 O GLY E 117 34.704 51.900 3.958 1.00 47.53 O +ATOM 302 N HIS E 118 32.925 50.633 4.494 1.00 45.35 N +ATOM 303 CA HIS E 118 33.427 49.450 3.809 1.00 49.38 C +ATOM 304 C HIS E 118 32.927 49.395 2.368 1.00 43.75 C +ATOM 305 O HIS E 118 31.715 49.364 2.118 1.00 36.83 O +ATOM 306 CB HIS E 118 33.067 48.178 4.585 1.00 59.87 C +ATOM 307 CG HIS E 118 33.716 48.097 5.936 1.00 68.59 C +ATOM 308 ND1 HIS E 118 34.868 48.788 6.253 1.00 71.37 N +ATOM 309 CD2 HIS E 118 33.370 47.412 7.053 1.00 69.89 C +ATOM 310 CE1 HIS E 118 35.201 48.535 7.507 1.00 71.77 C +ATOM 311 NE2 HIS E 118 34.310 47.701 8.014 1.00 71.75 N +ATOM 312 N GLN E 119 33.879 49.419 1.431 1.00 40.09 N +ATOM 313 CA GLN E 119 33.598 49.338 -0.002 1.00 37.75 C +ATOM 314 C GLN E 119 32.597 50.415 -0.413 1.00 33.13 C +ATOM 315 O GLN E 119 32.749 51.586 -0.055 1.00 29.80 O +ATOM 316 CB GLN E 119 33.081 47.937 -0.372 1.00 45.09 C +ATOM 317 CG GLN E 119 34.163 46.861 -0.475 1.00 54.23 C +ATOM 318 CD GLN E 119 34.503 46.237 0.867 1.00 59.86 C +ATOM 319 OE1 GLN E 119 33.717 45.457 1.416 1.00 62.91 O +ATOM 320 NE2 GLN E 119 35.674 46.578 1.398 1.00 60.20 N +ATOM 321 N ASP E 120 31.555 50.009 -1.132 1.00 29.42 N +ATOM 322 CA ASP E 120 30.499 50.924 -1.517 1.00 27.76 C +ATOM 323 C ASP E 120 29.190 50.558 -0.817 1.00 26.80 C +ATOM 324 O ASP E 120 28.096 50.793 -1.343 1.00 28.71 O +ATOM 325 CB ASP E 120 30.342 50.935 -3.044 1.00 25.30 C +ATOM 326 CG ASP E 120 29.785 49.643 -3.585 1.00 27.84 C +ATOM 327 OD1 ASP E 120 29.801 48.604 -2.872 1.00 29.36 O +ATOM 328 OD2 ASP E 120 29.293 49.581 -4.727 1.00 28.56 O +ATOM 329 N LYS E 121 29.314 49.970 0.367 1.00 23.34 N +ATOM 330 CA LYS E 121 28.159 49.579 1.153 1.00 25.65 C +ATOM 331 C LYS E 121 27.549 50.798 1.829 1.00 23.03 C +ATOM 332 O LYS E 121 28.230 51.557 2.527 1.00 24.14 O +ATOM 333 CB LYS E 121 28.532 48.529 2.200 1.00 32.74 C +ATOM 334 CG LYS E 121 27.404 47.534 2.508 1.00 42.78 C +ATOM 335 CD LYS E 121 27.387 47.107 3.975 1.00 48.40 C +ATOM 336 CE LYS E 121 27.769 45.646 4.144 1.00 52.72 C +ATOM 337 NZ LYS E 121 28.141 45.316 5.556 1.00 55.51 N +ATOM 338 N VAL E 122 26.262 51.000 1.589 1.00 18.89 N +ATOM 339 CA VAL E 122 25.530 52.053 2.263 1.00 21.48 C +ATOM 340 C VAL E 122 24.390 51.451 3.045 1.00 23.05 C +ATOM 341 O VAL E 122 24.011 50.290 2.847 1.00 22.91 O +ATOM 342 CB VAL E 122 24.976 53.115 1.292 1.00 21.05 C +ATOM 343 CG1 VAL E 122 26.091 53.709 0.468 1.00 16.34 C +ATOM 344 CG2 VAL E 122 23.883 52.535 0.421 1.00 20.73 C +ATOM 345 N ARG E 123 23.828 52.255 3.931 1.00 19.69 N +ATOM 346 CA ARG E 123 22.751 51.769 4.756 1.00 17.66 C +ATOM 347 C ARG E 123 21.777 52.895 5.011 1.00 16.40 C +ATOM 348 O ARG E 123 22.177 54.022 5.261 1.00 14.82 O +ATOM 349 CB ARG E 123 23.296 51.223 6.074 1.00 16.05 C +ATOM 350 CG ARG E 123 22.268 50.454 6.874 1.00 22.42 C +ATOM 351 CD ARG E 123 22.788 49.902 8.203 1.00 22.85 C +ATOM 352 NE ARG E 123 23.923 48.990 8.044 1.00 23.76 N +ATOM 353 CZ ARG E 123 23.850 47.757 7.544 1.00 27.76 C +ATOM 354 NH1 ARG E 123 22.683 47.256 7.130 1.00 25.98 N +ATOM 355 NH2 ARG E 123 24.956 47.019 7.452 1.00 26.60 N +ATOM 356 N CYS E 124 20.493 52.577 4.936 1.00 16.57 N +ATOM 357 CA CYS E 124 19.475 53.544 5.221 1.00 15.49 C +ATOM 358 C CYS E 124 19.383 53.749 6.720 1.00 17.47 C +ATOM 359 O CYS E 124 19.313 52.785 7.465 1.00 16.07 O +ATOM 360 CB CYS E 124 18.121 53.070 4.680 1.00 13.50 C +ATOM 361 SG CYS E 124 16.853 54.241 5.179 1.00 19.98 S +ATOM 362 N PHE E 125 19.391 55.002 7.158 1.00 15.10 N +ATOM 363 CA PHE E 125 19.270 55.319 8.579 1.00 17.40 C +ATOM 364 C PHE E 125 17.926 54.869 9.157 1.00 19.58 C +ATOM 365 O PHE E 125 17.824 54.586 10.355 1.00 17.80 O +ATOM 366 CB PHE E 125 19.442 56.826 8.826 1.00 14.19 C +ATOM 367 CG PHE E 125 18.173 57.632 8.656 1.00 18.18 C +ATOM 368 CD1 PHE E 125 17.792 58.088 7.408 1.00 19.39 C +ATOM 369 CD2 PHE E 125 17.379 57.953 9.752 1.00 16.78 C +ATOM 370 CE1 PHE E 125 16.629 58.846 7.240 1.00 19.32 C +ATOM 371 CE2 PHE E 125 16.225 58.705 9.603 1.00 18.60 C +ATOM 372 CZ PHE E 125 15.839 59.155 8.334 1.00 17.60 C +ATOM 373 N PHE E 126 16.898 54.825 8.314 1.00 19.86 N +ATOM 374 CA PHE E 126 15.561 54.578 8.820 1.00 17.78 C +ATOM 375 C PHE E 126 15.263 53.094 8.915 1.00 16.99 C +ATOM 376 O PHE E 126 14.927 52.611 9.988 1.00 18.31 O +ATOM 377 CB PHE E 126 14.472 55.347 8.063 1.00 18.54 C +ATOM 378 CG PHE E 126 13.171 55.429 8.829 1.00 19.26 C +ATOM 379 CD1 PHE E 126 12.300 54.342 8.858 1.00 19.71 C +ATOM 380 CD2 PHE E 126 12.851 56.563 9.569 1.00 19.30 C +ATOM 381 CE1 PHE E 126 11.121 54.384 9.616 1.00 19.54 C +ATOM 382 CE2 PHE E 126 11.663 56.622 10.320 1.00 21.86 C +ATOM 383 CZ PHE E 126 10.806 55.508 10.339 1.00 22.41 C +ATOM 384 N CYS E 127 15.423 52.373 7.810 1.00 17.23 N +ATOM 385 CA CYS E 127 15.082 50.956 7.780 1.00 21.84 C +ATOM 386 C CYS E 127 16.297 50.070 8.024 1.00 22.24 C +ATOM 387 O CYS E 127 16.154 48.857 8.188 1.00 22.70 O +ATOM 388 CB CYS E 127 14.408 50.586 6.456 1.00 19.98 C +ATOM 389 SG CYS E 127 15.487 50.665 4.994 1.00 21.68 S +ATOM 390 N TYR E 128 17.485 50.680 8.029 1.00 19.73 N +ATOM 391 CA TYR E 128 18.750 49.961 8.247 1.00 21.60 C +ATOM 392 C TYR E 128 19.065 48.975 7.119 1.00 18.96 C +ATOM 393 O TYR E 128 19.966 48.145 7.244 1.00 20.48 O +ATOM 394 CB TYR E 128 18.770 49.271 9.622 1.00 21.77 C +ATOM 395 CG TYR E 128 20.087 49.378 10.373 1.00 22.02 C +ATOM 396 CD1 TYR E 128 20.560 50.610 10.841 1.00 24.24 C +ATOM 397 CD2 TYR E 128 20.851 48.245 10.628 1.00 20.95 C +ATOM 398 CE1 TYR E 128 21.769 50.704 11.534 1.00 23.72 C +ATOM 399 CE2 TYR E 128 22.066 48.331 11.316 1.00 19.26 C +ATOM 400 CZ TYR E 128 22.513 49.549 11.768 1.00 21.57 C +ATOM 401 OH TYR E 128 23.698 49.613 12.453 1.00 21.91 O +ATOM 402 N GLY E 129 18.345 49.096 6.002 1.00 20.15 N +ATOM 403 CA GLY E 129 18.647 48.316 4.813 1.00 18.61 C +ATOM 404 C GLY E 129 20.007 48.681 4.204 1.00 20.93 C +ATOM 405 O GLY E 129 20.334 49.860 4.004 1.00 20.63 O +ATOM 406 N GLY E 130 20.797 47.658 3.927 1.00 21.29 N +ATOM 407 CA GLY E 130 22.132 47.812 3.382 1.00 19.94 C +ATOM 408 C GLY E 130 22.107 47.511 1.895 1.00 24.31 C +ATOM 409 O GLY E 130 21.434 46.579 1.450 1.00 23.77 O +ATOM 410 N LEU E 131 22.834 48.319 1.128 1.00 22.97 N +ATOM 411 CA LEU E 131 22.978 48.130 -0.309 1.00 23.62 C +ATOM 412 C LEU E 131 24.424 48.390 -0.707 1.00 27.38 C +ATOM 413 O LEU E 131 25.102 49.264 -0.144 1.00 26.12 O +ATOM 414 CB LEU E 131 22.045 49.070 -1.094 1.00 25.66 C +ATOM 415 CG LEU E 131 20.520 48.902 -0.978 1.00 27.59 C +ATOM 416 CD1 LEU E 131 19.801 50.106 -1.561 1.00 22.52 C +ATOM 417 CD2 LEU E 131 20.038 47.623 -1.651 1.00 26.54 C +ATOM 418 N GLN E 132 24.891 47.607 -1.669 1.00 29.50 N +ATOM 419 CA GLN E 132 26.265 47.667 -2.137 1.00 31.60 C +ATOM 420 C GLN E 132 26.271 47.337 -3.619 1.00 29.45 C +ATOM 421 O GLN E 132 25.208 47.082 -4.186 1.00 27.47 O +ATOM 422 CB GLN E 132 27.140 46.690 -1.343 1.00 35.84 C +ATOM 423 CG GLN E 132 26.931 45.223 -1.681 1.00 43.68 C +ATOM 424 CD GLN E 132 27.622 44.298 -0.695 1.00 50.85 C +ATOM 425 OE1 GLN E 132 26.972 43.464 -0.070 1.00 55.41 O +ATOM 426 NE2 GLN E 132 28.937 44.438 -0.560 1.00 52.20 N +ATOM 427 N SER E 133 27.460 47.339 -4.234 1.00 30.93 N +ATOM 428 CA SER E 133 27.626 47.070 -5.674 1.00 30.91 C +ATOM 429 C SER E 133 26.860 48.075 -6.516 1.00 29.01 C +ATOM 430 O SER E 133 26.083 47.718 -7.403 1.00 28.93 O +ATOM 431 CB SER E 133 27.228 45.635 -6.030 1.00 34.37 C +ATOM 432 OG SER E 133 27.670 44.740 -5.027 1.00 38.61 O +ATOM 433 N TRP E 134 27.086 49.346 -6.216 1.00 27.94 N +ATOM 434 CA TRP E 134 26.441 50.421 -6.937 1.00 28.22 C +ATOM 435 C TRP E 134 27.080 50.579 -8.302 1.00 30.59 C +ATOM 436 O TRP E 134 28.296 50.471 -8.444 1.00 30.48 O +ATOM 437 CB TRP E 134 26.537 51.711 -6.128 1.00 23.34 C +ATOM 438 CG TRP E 134 25.710 51.627 -4.898 1.00 21.88 C +ATOM 439 CD1 TRP E 134 26.084 51.103 -3.689 1.00 21.50 C +ATOM 440 CD2 TRP E 134 24.350 52.043 -4.749 1.00 21.93 C +ATOM 441 NE1 TRP E 134 25.043 51.183 -2.796 1.00 20.40 N +ATOM 442 CE2 TRP E 134 23.965 51.756 -3.420 1.00 21.32 C +ATOM 443 CE3 TRP E 134 23.408 52.631 -5.606 1.00 23.88 C +ATOM 444 CZ2 TRP E 134 22.688 52.039 -2.931 1.00 20.01 C +ATOM 445 CZ3 TRP E 134 22.147 52.909 -5.122 1.00 21.87 C +ATOM 446 CH2 TRP E 134 21.795 52.614 -3.791 1.00 19.89 C +ATOM 447 N LYS E 135 26.245 50.806 -9.307 1.00 33.09 N +ATOM 448 CA LYS E 135 26.708 50.978 -10.675 1.00 35.64 C +ATOM 449 C LYS E 135 26.163 52.289 -11.201 1.00 33.15 C +ATOM 450 O LYS E 135 25.076 52.721 -10.803 1.00 28.88 O +ATOM 451 CB LYS E 135 26.206 49.831 -11.552 1.00 41.23 C +ATOM 452 CG LYS E 135 26.874 48.491 -11.280 1.00 49.61 C +ATOM 453 CD LYS E 135 25.893 47.333 -11.470 1.00 57.05 C +ATOM 454 CE LYS E 135 26.398 46.046 -10.794 1.00 61.17 C +ATOM 455 NZ LYS E 135 25.488 45.554 -9.704 1.00 60.63 N +ATOM 456 N ARG E 136 26.913 52.917 -12.102 1.00 32.56 N +ATOM 457 CA ARG E 136 26.463 54.131 -12.776 1.00 31.66 C +ATOM 458 C ARG E 136 25.025 53.967 -13.263 1.00 29.58 C +ATOM 459 O ARG E 136 24.685 52.974 -13.897 1.00 29.54 O +ATOM 460 CB ARG E 136 27.387 54.456 -13.951 1.00 34.75 C +ATOM 461 CG ARG E 136 27.177 55.828 -14.538 1.00 39.51 C +ATOM 462 CD ARG E 136 28.088 56.148 -15.711 1.00 45.88 C +ATOM 463 NE ARG E 136 27.734 57.437 -16.297 1.00 50.78 N +ATOM 464 CZ ARG E 136 28.400 58.561 -16.083 1.00 54.90 C +ATOM 465 NH1 ARG E 136 29.476 58.561 -15.296 1.00 60.54 N +ATOM 466 NH2 ARG E 136 27.999 59.688 -16.655 1.00 53.27 N +ATOM 467 N GLY E 137 24.178 54.934 -12.937 1.00 27.92 N +ATOM 468 CA GLY E 137 22.795 54.874 -13.354 1.00 31.57 C +ATOM 469 C GLY E 137 21.854 54.311 -12.300 1.00 29.88 C +ATOM 470 O GLY E 137 20.652 54.469 -12.426 1.00 28.63 O +ATOM 471 N ASP E 138 22.385 53.649 -11.273 1.00 29.09 N +ATOM 472 CA ASP E 138 21.541 53.220 -10.161 1.00 27.50 C +ATOM 473 C ASP E 138 20.906 54.453 -9.545 1.00 28.94 C +ATOM 474 O ASP E 138 21.581 55.454 -9.293 1.00 29.70 O +ATOM 475 CB ASP E 138 22.340 52.465 -9.113 1.00 26.48 C +ATOM 476 CG ASP E 138 22.750 51.086 -9.576 1.00 32.42 C +ATOM 477 OD1 ASP E 138 22.242 50.631 -10.628 1.00 32.34 O +ATOM 478 OD2 ASP E 138 23.585 50.392 -8.951 1.00 31.28 O +ATOM 479 N ASP E 139 19.594 54.401 -9.359 1.00 26.72 N +ATOM 480 CA ASP E 139 18.911 55.476 -8.679 1.00 23.52 C +ATOM 481 C ASP E 139 18.676 55.050 -7.241 1.00 22.02 C +ATOM 482 O ASP E 139 17.935 54.098 -6.995 1.00 27.12 O +ATOM 483 CB ASP E 139 17.601 55.832 -9.373 1.00 26.39 C +ATOM 484 CG ASP E 139 16.894 56.982 -8.697 1.00 27.56 C +ATOM 485 OD1 ASP E 139 17.389 58.128 -8.600 1.00 32.62 O +ATOM 486 OD2 ASP E 139 15.784 56.771 -8.187 1.00 28.52 O +ATOM 487 N PRO E 140 19.333 55.723 -6.294 1.00 20.76 N +ATOM 488 CA PRO E 140 19.201 55.395 -4.866 1.00 18.97 C +ATOM 489 C PRO E 140 17.755 55.234 -4.385 1.00 19.52 C +ATOM 490 O PRO E 140 17.455 54.233 -3.739 1.00 18.30 O +ATOM 491 CB PRO E 140 19.893 56.572 -4.178 1.00 19.17 C +ATOM 492 CG PRO E 140 20.961 56.963 -5.171 1.00 21.68 C +ATOM 493 CD PRO E 140 20.293 56.819 -6.520 1.00 19.73 C +ATOM 494 N TRP E 141 16.871 56.174 -4.705 1.00 20.19 N +ATOM 495 CA TRP E 141 15.470 56.044 -4.288 1.00 21.71 C +ATOM 496 C TRP E 141 14.831 54.787 -4.859 1.00 22.15 C +ATOM 497 O TRP E 141 14.133 54.054 -4.153 1.00 26.25 O +ATOM 498 CB TRP E 141 14.658 57.244 -4.738 1.00 18.58 C +ATOM 499 CG TRP E 141 14.704 58.413 -3.826 1.00 19.06 C +ATOM 500 CD1 TRP E 141 14.940 59.713 -4.183 1.00 18.11 C +ATOM 501 CD2 TRP E 141 14.475 58.422 -2.411 1.00 12.59 C +ATOM 502 NE1 TRP E 141 14.868 60.520 -3.075 1.00 18.55 N +ATOM 503 CE2 TRP E 141 14.588 59.749 -1.977 1.00 15.66 C +ATOM 504 CE3 TRP E 141 14.193 57.435 -1.466 1.00 15.47 C +ATOM 505 CZ2 TRP E 141 14.415 60.117 -0.648 1.00 17.46 C +ATOM 506 CZ3 TRP E 141 14.032 57.794 -0.163 1.00 16.33 C +ATOM 507 CH2 TRP E 141 14.146 59.125 0.242 1.00 19.21 C +ATOM 508 N THR E 142 15.068 54.546 -6.142 1.00 24.20 N +ATOM 509 CA THR E 142 14.512 53.376 -6.825 1.00 26.33 C +ATOM 510 C THR E 142 15.027 52.089 -6.207 1.00 25.23 C +ATOM 511 O THR E 142 14.241 51.165 -5.930 1.00 26.60 O +ATOM 512 CB THR E 142 14.855 53.427 -8.324 1.00 26.81 C +ATOM 513 OG1 THR E 142 14.280 54.609 -8.888 1.00 27.71 O +ATOM 514 CG2 THR E 142 14.176 52.289 -9.083 1.00 24.44 C +ATOM 515 N GLU E 143 16.343 52.032 -5.980 1.00 23.67 N +ATOM 516 CA GLU E 143 16.960 50.896 -5.302 1.00 22.33 C +ATOM 517 C GLU E 143 16.374 50.742 -3.907 1.00 22.80 C +ATOM 518 O GLU E 143 16.086 49.636 -3.463 1.00 24.51 O +ATOM 519 CB GLU E 143 18.484 51.057 -5.214 1.00 23.10 C +ATOM 520 CG GLU E 143 19.209 51.007 -6.549 1.00 27.05 C +ATOM 521 CD GLU E 143 18.759 49.854 -7.423 1.00 24.60 C +ATOM 522 OE1 GLU E 143 18.873 48.700 -6.991 1.00 26.38 O +ATOM 523 OE2 GLU E 143 18.290 50.104 -8.548 1.00 32.65 O +ATOM 524 N HIS E 144 16.211 51.864 -3.219 1.00 24.67 N +ATOM 525 CA HIS E 144 15.604 51.873 -1.892 1.00 26.01 C +ATOM 526 C HIS E 144 14.213 51.236 -1.965 1.00 26.49 C +ATOM 527 O HIS E 144 13.853 50.421 -1.118 1.00 25.42 O +ATOM 528 CB HIS E 144 15.504 53.305 -1.368 1.00 15.45 C +ATOM 529 CG HIS E 144 15.521 53.414 0.126 1.00 19.55 C +ATOM 530 ND1 HIS E 144 16.010 54.529 0.779 1.00 18.52 N +ATOM 531 CD2 HIS E 144 15.097 52.562 1.094 1.00 15.55 C +ATOM 532 CE1 HIS E 144 15.893 54.353 2.084 1.00 19.96 C +ATOM 533 NE2 HIS E 144 15.352 53.164 2.301 1.00 20.13 N +ATOM 534 N ALA E 145 13.451 51.612 -2.992 1.00 25.96 N +ATOM 535 CA ALA E 145 12.092 51.099 -3.197 1.00 26.02 C +ATOM 536 C ALA E 145 12.071 49.634 -3.621 1.00 28.25 C +ATOM 537 O ALA E 145 11.198 48.876 -3.187 1.00 26.36 O +ATOM 538 CB ALA E 145 11.353 51.957 -4.195 1.00 20.01 C +ATOM 539 N LYS E 146 13.041 49.234 -4.447 1.00 29.06 N +ATOM 540 CA LYS E 146 13.152 47.842 -4.882 1.00 32.05 C +ATOM 541 C LYS E 146 13.337 46.942 -3.681 1.00 31.63 C +ATOM 542 O LYS E 146 12.646 45.939 -3.531 1.00 36.60 O +ATOM 543 CB LYS E 146 14.354 47.630 -5.819 1.00 34.01 C +ATOM 544 CG LYS E 146 14.205 48.140 -7.250 1.00 37.66 C +ATOM 545 CD LYS E 146 15.287 47.539 -8.149 1.00 38.61 C +ATOM 546 CE LYS E 146 15.386 48.268 -9.486 1.00 41.64 C +ATOM 547 NZ LYS E 146 16.769 48.204 -10.069 1.00 38.80 N +ATOM 548 N TRP E 147 14.274 47.322 -2.821 1.00 29.27 N +ATOM 549 CA TRP E 147 14.807 46.420 -1.813 1.00 29.17 C +ATOM 550 C TRP E 147 14.149 46.555 -0.452 1.00 29.12 C +ATOM 551 O TRP E 147 13.980 45.557 0.265 1.00 29.65 O +ATOM 552 CB TRP E 147 16.313 46.616 -1.704 1.00 32.20 C +ATOM 553 CG TRP E 147 17.025 46.145 -2.920 1.00 41.85 C +ATOM 554 CD1 TRP E 147 17.521 46.912 -3.932 1.00 41.28 C +ATOM 555 CD2 TRP E 147 17.316 44.790 -3.265 1.00 45.23 C +ATOM 556 NE1 TRP E 147 18.113 46.119 -4.883 1.00 43.91 N +ATOM 557 CE2 TRP E 147 17.999 44.809 -4.500 1.00 49.25 C +ATOM 558 CE3 TRP E 147 17.066 43.551 -2.653 1.00 50.99 C +ATOM 559 CZ2 TRP E 147 18.441 43.640 -5.135 1.00 54.48 C +ATOM 560 CZ3 TRP E 147 17.505 42.388 -3.282 1.00 55.60 C +ATOM 561 CH2 TRP E 147 18.188 42.443 -4.510 1.00 55.71 C +ATOM 562 N PHE E 148 13.777 47.781 -0.088 1.00 26.07 N +ATOM 563 CA PHE E 148 13.176 48.021 1.229 1.00 24.33 C +ATOM 564 C PHE E 148 11.896 48.855 1.109 1.00 24.77 C +ATOM 565 O PHE E 148 11.790 49.936 1.696 1.00 24.80 O +ATOM 566 CB PHE E 148 14.208 48.640 2.202 1.00 24.23 C +ATOM 567 CG PHE E 148 15.605 48.047 2.072 1.00 26.43 C +ATOM 568 CD1 PHE E 148 15.879 46.753 2.514 1.00 27.50 C +ATOM 569 CD2 PHE E 148 16.636 48.781 1.497 1.00 26.78 C +ATOM 570 CE1 PHE E 148 17.153 46.191 2.375 1.00 29.06 C +ATOM 571 CE2 PHE E 148 17.921 48.234 1.363 1.00 27.90 C +ATOM 572 CZ PHE E 148 18.176 46.933 1.793 1.00 27.17 C +ATOM 573 N PRO E 149 10.902 48.332 0.381 1.00 23.94 N +ATOM 574 CA PRO E 149 9.706 49.111 0.039 1.00 20.75 C +ATOM 575 C PRO E 149 8.901 49.569 1.250 1.00 20.80 C +ATOM 576 O PRO E 149 8.152 50.527 1.136 1.00 23.34 O +ATOM 577 CB PRO E 149 8.870 48.124 -0.809 1.00 23.19 C +ATOM 578 CG PRO E 149 9.336 46.770 -0.402 1.00 23.28 C +ATOM 579 CD PRO E 149 10.822 46.948 -0.145 1.00 25.71 C +ATOM 580 N SER E 150 9.055 48.903 2.386 1.00 22.44 N +ATOM 581 CA SER E 150 8.285 49.259 3.569 1.00 28.91 C +ATOM 582 C SER E 150 8.992 50.295 4.446 1.00 28.87 C +ATOM 583 O SER E 150 8.482 50.664 5.501 1.00 26.38 O +ATOM 584 CB SER E 150 7.937 48.008 4.380 1.00 35.66 C +ATOM 585 OG SER E 150 9.078 47.520 5.058 1.00 39.17 O +ATOM 586 N CYS E 151 10.155 50.776 4.007 1.00 27.03 N +ATOM 587 CA CYS E 151 10.869 51.810 4.748 1.00 23.76 C +ATOM 588 C CYS E 151 10.017 53.059 4.780 1.00 21.73 C +ATOM 589 O CYS E 151 9.621 53.579 3.729 1.00 22.86 O +ATOM 590 CB CYS E 151 12.219 52.130 4.090 1.00 22.52 C +ATOM 591 SG CYS E 151 13.014 53.559 4.837 1.00 19.69 S +ATOM 592 N GLN E 152 9.730 53.540 5.984 1.00 22.24 N +ATOM 593 CA GLN E 152 8.810 54.651 6.143 1.00 25.75 C +ATOM 594 C GLN E 152 9.445 55.955 5.716 1.00 26.54 C +ATOM 595 O GLN E 152 8.757 56.865 5.272 1.00 25.84 O +ATOM 596 CB GLN E 152 8.319 54.761 7.582 1.00 32.90 C +ATOM 597 CG GLN E 152 7.312 53.700 7.968 1.00 45.77 C +ATOM 598 CD GLN E 152 7.082 53.654 9.469 1.00 55.59 C +ATOM 599 OE1 GLN E 152 6.679 54.655 10.074 1.00 59.51 O +ATOM 600 NE2 GLN E 152 7.352 52.502 10.076 1.00 57.51 N +ATOM 601 N PHE E 153 10.762 56.053 5.848 1.00 21.38 N +ATOM 602 CA PHE E 153 11.423 57.253 5.384 1.00 22.67 C +ATOM 603 C PHE E 153 11.273 57.330 3.869 1.00 16.18 C +ATOM 604 O PHE E 153 10.977 58.371 3.328 1.00 19.92 O +ATOM 605 CB PHE E 153 12.902 57.261 5.786 1.00 18.64 C +ATOM 606 CG PHE E 153 13.677 58.351 5.144 1.00 17.07 C +ATOM 607 CD1 PHE E 153 13.559 59.663 5.604 1.00 19.70 C +ATOM 608 CD2 PHE E 153 14.493 58.083 4.057 1.00 15.56 C +ATOM 609 CE1 PHE E 153 14.271 60.694 5.007 1.00 21.08 C +ATOM 610 CE2 PHE E 153 15.218 59.103 3.449 1.00 17.40 C +ATOM 611 CZ PHE E 153 15.115 60.405 3.919 1.00 19.75 C +ATOM 612 N LEU E 154 11.484 56.206 3.197 1.00 17.31 N +ATOM 613 CA LEU E 154 11.259 56.128 1.763 1.00 19.55 C +ATOM 614 C LEU E 154 9.795 56.454 1.418 1.00 23.46 C +ATOM 615 O LEU E 154 9.518 57.217 0.479 1.00 21.53 O +ATOM 616 CB LEU E 154 11.625 54.730 1.264 1.00 16.58 C +ATOM 617 CG LEU E 154 11.022 54.308 -0.083 1.00 20.07 C +ATOM 618 CD1 LEU E 154 11.682 55.032 -1.253 1.00 19.23 C +ATOM 619 CD2 LEU E 154 11.153 52.813 -0.239 1.00 20.14 C +ATOM 620 N LEU E 155 8.866 55.890 2.189 1.00 23.64 N +ATOM 621 CA LEU E 155 7.454 56.095 1.894 1.00 25.30 C +ATOM 622 C LEU E 155 7.054 57.539 2.076 1.00 24.49 C +ATOM 623 O LEU E 155 6.355 58.081 1.234 1.00 26.29 O +ATOM 624 CB LEU E 155 6.559 55.165 2.700 1.00 24.44 C +ATOM 625 CG LEU E 155 6.581 53.723 2.177 1.00 24.86 C +ATOM 626 CD1 LEU E 155 6.175 52.772 3.302 1.00 23.87 C +ATOM 627 CD2 LEU E 155 5.671 53.546 0.949 1.00 23.47 C +ATOM 628 N ARG E 156 7.544 58.172 3.137 1.00 25.27 N +ATOM 629 CA ARG E 156 7.251 59.567 3.380 1.00 30.12 C +ATOM 630 C ARG E 156 7.894 60.440 2.322 1.00 27.37 C +ATOM 631 O ARG E 156 7.319 61.431 1.912 1.00 26.42 O +ATOM 632 CB ARG E 156 7.738 59.994 4.760 1.00 39.02 C +ATOM 633 CG ARG E 156 6.824 59.568 5.910 1.00 54.45 C +ATOM 634 CD ARG E 156 7.164 60.211 7.265 1.00 64.66 C +ATOM 635 NE ARG E 156 6.985 61.669 7.259 1.00 73.18 N +ATOM 636 CZ ARG E 156 7.145 62.466 8.318 1.00 77.14 C +ATOM 637 NH1 ARG E 156 7.496 61.965 9.499 1.00 76.66 N +ATOM 638 NH2 ARG E 156 6.953 63.776 8.193 1.00 78.01 N +ATOM 639 N SER E 157 9.103 60.078 1.898 1.00 22.35 N +ATOM 640 CA SER E 157 9.863 60.944 1.009 1.00 22.60 C +ATOM 641 C SER E 157 9.378 60.824 -0.414 1.00 18.29 C +ATOM 642 O SER E 157 9.272 61.823 -1.119 1.00 25.68 O +ATOM 643 CB SER E 157 11.350 60.603 1.074 1.00 19.06 C +ATOM 644 OG SER E 157 11.790 60.636 2.421 1.00 21.26 O +ATOM 645 N LYS E 158 9.075 59.599 -0.824 1.00 20.32 N +ATOM 646 CA LYS E 158 8.777 59.329 -2.225 1.00 24.84 C +ATOM 647 C LYS E 158 7.315 59.016 -2.488 1.00 26.57 C +ATOM 648 O LYS E 158 6.887 59.046 -3.637 1.00 25.71 O +ATOM 649 CB LYS E 158 9.654 58.201 -2.749 1.00 23.07 C +ATOM 650 CG LYS E 158 11.131 58.579 -2.843 1.00 25.32 C +ATOM 651 CD LYS E 158 11.369 59.722 -3.825 1.00 25.64 C +ATOM 652 CE LYS E 158 11.388 59.210 -5.266 1.00 21.99 C +ATOM 653 NZ LYS E 158 11.453 60.362 -6.174 1.00 27.43 N +ATOM 654 N GLY E 159 6.563 58.723 -1.427 1.00 24.88 N +ATOM 655 CA GLY E 159 5.150 58.397 -1.556 1.00 28.44 C +ATOM 656 C GLY E 159 4.891 56.944 -1.917 1.00 29.27 C +ATOM 657 O GLY E 159 5.732 56.260 -2.506 1.00 28.16 O +ATOM 658 N ARG E 160 3.701 56.482 -1.555 1.00 31.85 N +ATOM 659 CA ARG E 160 3.223 55.144 -1.874 1.00 32.12 C +ATOM 660 C ARG E 160 3.279 54.809 -3.362 1.00 28.72 C +ATOM 661 O ARG E 160 3.633 53.700 -3.725 1.00 27.89 O +ATOM 662 CB ARG E 160 1.771 55.006 -1.418 1.00 40.45 C +ATOM 663 CG ARG E 160 1.586 54.462 -0.024 1.00 51.51 C +ATOM 664 CD ARG E 160 0.194 53.900 0.212 1.00 61.06 C +ATOM 665 NE ARG E 160 -0.467 54.527 1.352 1.00 68.00 N +ATOM 666 CZ ARG E 160 -1.308 55.554 1.275 1.00 71.01 C +ATOM 667 NH1 ARG E 160 -1.614 56.107 0.102 1.00 69.49 N +ATOM 668 NH2 ARG E 160 -1.844 56.034 2.387 1.00 72.00 N +ATOM 669 N ASP E 161 2.909 55.755 -4.219 1.00 25.90 N +ATOM 670 CA ASP E 161 2.774 55.459 -5.647 1.00 29.94 C +ATOM 671 C ASP E 161 4.109 55.080 -6.258 1.00 31.98 C +ATOM 672 O ASP E 161 4.216 54.051 -6.938 1.00 29.83 O +ATOM 673 CB ASP E 161 2.154 56.638 -6.390 1.00 32.70 C +ATOM 674 CG ASP E 161 0.706 56.886 -5.988 1.00 33.78 C +ATOM 675 OD1 ASP E 161 0.147 56.106 -5.189 1.00 36.33 O +ATOM 676 OD2 ASP E 161 0.055 57.853 -6.412 1.00 33.90 O +ATOM 677 N PHE E 162 5.128 55.899 -5.973 1.00 32.81 N +ATOM 678 CA PHE E 162 6.498 55.615 -6.388 1.00 27.49 C +ATOM 679 C PHE E 162 6.908 54.212 -5.979 1.00 24.54 C +ATOM 680 O PHE E 162 7.395 53.436 -6.796 1.00 28.77 O +ATOM 681 CB PHE E 162 7.481 56.637 -5.798 1.00 30.91 C +ATOM 682 CG PHE E 162 8.916 56.355 -6.148 1.00 31.88 C +ATOM 683 CD1 PHE E 162 9.426 56.727 -7.395 1.00 29.49 C +ATOM 684 CD2 PHE E 162 9.745 55.681 -5.252 1.00 30.42 C +ATOM 685 CE1 PHE E 162 10.747 56.446 -7.737 1.00 30.55 C +ATOM 686 CE2 PHE E 162 11.078 55.395 -5.582 1.00 29.10 C +ATOM 687 CZ PHE E 162 11.575 55.777 -6.828 1.00 30.27 C +ATOM 688 N VAL E 163 6.697 53.879 -4.710 1.00 27.27 N +ATOM 689 CA VAL E 163 7.140 52.596 -4.184 1.00 26.52 C +ATOM 690 C VAL E 163 6.354 51.461 -4.832 1.00 29.78 C +ATOM 691 O VAL E 163 6.942 50.475 -5.280 1.00 29.59 O +ATOM 692 CB VAL E 163 7.021 52.528 -2.656 1.00 23.84 C +ATOM 693 CG1 VAL E 163 7.354 51.150 -2.178 1.00 20.69 C +ATOM 694 CG2 VAL E 163 7.959 53.558 -1.997 1.00 22.64 C +ATOM 695 N HIS E 164 5.032 51.611 -4.884 1.00 31.93 N +ATOM 696 CA HIS E 164 4.175 50.652 -5.575 1.00 37.55 C +ATOM 697 C HIS E 164 4.671 50.439 -7.000 1.00 36.34 C +ATOM 698 O HIS E 164 4.847 49.305 -7.439 1.00 38.37 O +ATOM 699 CB HIS E 164 2.729 51.142 -5.598 1.00 41.28 C +ATOM 700 CG HIS E 164 1.739 50.075 -5.948 1.00 52.36 C +ATOM 701 ND1 HIS E 164 1.416 49.757 -7.250 1.00 55.22 N +ATOM 702 CD2 HIS E 164 1.000 49.253 -5.165 1.00 56.28 C +ATOM 703 CE1 HIS E 164 0.523 48.784 -7.255 1.00 57.81 C +ATOM 704 NE2 HIS E 164 0.252 48.461 -6.003 1.00 59.28 N +ATOM 705 N SER E 165 4.918 51.546 -7.697 1.00 32.34 N +ATOM 706 CA SER E 165 5.359 51.520 -9.077 1.00 37.21 C +ATOM 707 C SER E 165 6.667 50.736 -9.253 1.00 38.93 C +ATOM 708 O SER E 165 6.777 49.901 -10.148 1.00 39.50 O +ATOM 709 CB SER E 165 5.484 52.953 -9.607 1.00 40.59 C +ATOM 710 OG SER E 165 6.230 52.996 -10.809 1.00 50.47 O +ATOM 711 N VAL E 166 7.648 51.006 -8.395 1.00 36.29 N +ATOM 712 CA VAL E 166 8.926 50.306 -8.437 1.00 31.36 C +ATOM 713 C VAL E 166 8.725 48.836 -8.081 1.00 34.11 C +ATOM 714 O VAL E 166 9.314 47.966 -8.705 1.00 33.25 O +ATOM 715 CB VAL E 166 9.958 50.946 -7.475 1.00 31.03 C +ATOM 716 CG1 VAL E 166 11.193 50.050 -7.295 1.00 25.23 C +ATOM 717 CG2 VAL E 166 10.352 52.350 -7.957 1.00 26.27 C +ATOM 718 N GLN E 167 7.886 48.564 -7.085 1.00 38.21 N +ATOM 719 CA GLN E 167 7.614 47.189 -6.671 1.00 46.64 C +ATOM 720 C GLN E 167 6.914 46.372 -7.759 1.00 52.54 C +ATOM 721 O GLN E 167 6.970 45.140 -7.745 1.00 51.79 O +ATOM 722 CB GLN E 167 6.790 47.163 -5.383 1.00 45.18 C +ATOM 723 CG GLN E 167 7.618 47.203 -4.112 1.00 46.26 C +ATOM 724 CD GLN E 167 8.678 46.118 -4.064 1.00 48.35 C +ATOM 725 OE1 GLN E 167 8.362 44.929 -4.148 1.00 52.35 O +ATOM 726 NE2 GLN E 167 9.936 46.521 -3.928 1.00 45.24 N +ATOM 727 N GLU E 168 6.267 47.066 -8.694 1.00 60.22 N +ATOM 728 CA GLU E 168 5.539 46.425 -9.787 1.00 69.48 C +ATOM 729 C GLU E 168 6.474 45.833 -10.841 1.00 72.99 C +ATOM 730 O GLU E 168 6.357 44.654 -11.182 1.00 72.56 O +ATOM 731 CB GLU E 168 4.563 47.406 -10.436 1.00 71.99 C +ATOM 732 CG GLU E 168 3.129 46.913 -10.468 1.00 78.95 C +ATOM 733 CD GLU E 168 2.183 47.912 -11.112 1.00 83.77 C +ATOM 734 OE1 GLU E 168 2.456 49.136 -11.046 1.00 84.67 O +ATOM 735 OE2 GLU E 168 1.161 47.470 -11.684 1.00 85.02 O +ATOM 736 N THR E 169 7.402 46.649 -11.347 1.00 77.54 N +ATOM 737 CA THR E 169 8.376 46.191 -12.341 1.00 82.43 C +ATOM 738 C THR E 169 9.451 45.310 -11.700 1.00 88.29 C +ATOM 739 O THR E 169 10.593 45.265 -12.166 1.00 89.29 O +ATOM 740 CB THR E 169 9.002 47.378 -13.114 1.00 81.24 C +ATOM 741 OG1 THR E 169 8.769 48.603 -12.410 1.00 79.61 O +ATOM 742 CG2 THR E 169 8.276 47.593 -14.438 1.00 81.97 C +ATOM 743 N HIS E 170 9.052 44.617 -10.630 1.00 94.22 N +ATOM 744 CA HIS E 170 9.871 43.664 -9.869 1.00 99.97 C +ATOM 745 C HIS E 170 11.081 44.254 -9.128 1.00102.08 C +ATOM 746 O HIS E 170 11.729 45.192 -9.602 1.00103.01 O +ATOM 747 CB HIS E 170 10.265 42.454 -10.728 1.00102.85 C +ATOM 748 CG HIS E 170 9.175 41.437 -10.865 1.00105.43 C +ATOM 749 ND1 HIS E 170 8.376 41.347 -11.985 1.00106.23 N +ATOM 750 CD2 HIS E 170 8.743 40.474 -10.016 1.00106.29 C +ATOM 751 CE1 HIS E 170 7.504 40.367 -11.823 1.00106.81 C +ATOM 752 NE2 HIS E 170 7.705 39.822 -10.637 1.00107.07 N +ATOM 753 N SER E 171 11.365 43.685 -7.958 1.00103.22 N +ATOM 754 CA SER E 171 12.405 44.182 -7.057 1.00104.32 C +ATOM 755 C SER E 171 13.812 43.682 -7.410 1.00104.73 C +ATOM 756 O SER E 171 14.648 43.371 -6.555 1.00103.53 O +ATOM 757 CB SER E 171 12.055 43.817 -5.611 1.00105.25 C +ATOM 758 OG SER E 171 11.657 42.461 -5.503 1.00106.16 O +ATOM 760 N ALA F 1 22.380 48.256 -7.698 1.00 42.78 N +ATOM 761 CA ALA F 1 22.661 47.903 -6.286 1.00 42.24 C +ATOM 762 C ALA F 1 22.084 46.538 -5.975 1.00 45.21 C +ATOM 763 O ALA F 1 21.133 46.102 -6.626 1.00 45.22 O +ATOM 764 CB ALA F 1 22.071 48.941 -5.352 1.00 40.09 C +ATOM 765 N GLU F 2 22.668 45.869 -4.984 1.00 44.23 N +ATOM 766 CA GLU F 2 22.122 44.623 -4.461 1.00 52.54 C +ATOM 767 C GLU F 2 22.170 44.598 -2.932 1.00 53.63 C +ATOM 768 O GLU F 2 23.052 45.213 -2.317 1.00 45.91 O +ATOM 769 CB GLU F 2 22.848 43.407 -5.043 1.00 59.29 C +ATOM 770 CG GLU F 2 24.352 43.560 -5.166 1.00 68.31 C +ATOM 771 CD GLU F 2 25.105 42.388 -4.570 1.00 74.94 C +ATOM 772 OE1 GLU F 2 25.269 42.355 -3.327 1.00 77.70 O +ATOM 773 OE2 GLU F 2 25.529 41.501 -5.349 1.00 77.31 O +ATOM 774 N ALA F 3 21.212 43.893 -2.332 1.00 57.59 N +ATOM 775 CA ALA F 3 21.144 43.744 -0.880 1.00 61.34 C +ATOM 776 C ALA F 3 22.351 42.970 -0.371 1.00 63.72 C +ATOM 777 O ALA F 3 22.946 42.185 -1.109 1.00 65.69 O +ATOM 778 CB ALA F 3 19.855 43.048 -0.481 1.00 61.11 C +ATOM 779 N VAL F 4 22.731 43.213 0.878 1.00 69.00 N +ATOM 780 CA VAL F 4 23.830 42.470 1.491 1.00 74.07 C +ATOM 781 C VAL F 4 23.301 41.202 2.174 1.00 77.88 C +ATOM 782 O VAL F 4 22.217 41.193 2.764 1.00 81.03 O +ATOM 783 CB VAL F 4 24.681 43.354 2.459 1.00 74.22 C +ATOM 784 CG1 VAL F 4 23.866 43.823 3.658 1.00 74.72 C +ATOM 785 CG2 VAL F 4 25.952 42.623 2.907 1.00 73.71 C Added: SwiftApps/modFTdock/input/indata/1oxn-6.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1oxn-6.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1oxn-6.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,784 @@ +ATOM 1 N GLY E 78 -11.092 52.914 -16.188 1.00 35.22 N +ATOM 2 CA GLY E 78 -12.452 53.319 -16.648 1.00 31.46 C +ATOM 3 C GLY E 78 -12.424 54.630 -17.411 1.00 26.73 C +ATOM 4 O GLY E 78 -11.346 55.166 -17.710 1.00 29.30 O +ATOM 5 N PRO E 79 -13.605 55.164 -17.704 1.00 26.68 N +ATOM 6 CA PRO E 79 -13.723 56.407 -18.473 1.00 24.15 C +ATOM 7 C PRO E 79 -13.112 57.593 -17.732 1.00 20.38 C +ATOM 8 O PRO E 79 -13.157 57.649 -16.507 1.00 21.62 O +ATOM 9 CB PRO E 79 -15.237 56.596 -18.598 1.00 23.56 C +ATOM 10 CG PRO E 79 -15.830 55.246 -18.328 1.00 25.91 C +ATOM 11 CD PRO E 79 -14.927 54.624 -17.323 1.00 27.21 C +ATOM 12 N ALA E 80 -12.553 58.529 -18.480 1.00 20.41 N +ATOM 13 CA ALA E 80 -12.104 59.807 -17.915 1.00 19.18 C +ATOM 14 C ALA E 80 -13.273 60.554 -17.296 1.00 21.56 C +ATOM 15 O ALA E 80 -13.120 61.239 -16.288 1.00 24.32 O +ATOM 16 CB ALA E 80 -11.464 60.651 -19.000 1.00 15.94 C +ATOM 17 N PHE E 81 -14.451 60.394 -17.893 1.00 23.01 N +ATOM 18 CA PHE E 81 -15.618 61.168 -17.502 1.00 21.37 C +ATOM 19 C PHE E 81 -16.800 60.220 -17.542 1.00 20.77 C +ATOM 20 O PHE E 81 -17.556 60.191 -18.518 1.00 19.05 O +ATOM 21 CB PHE E 81 -15.786 62.339 -18.480 1.00 21.51 C +ATOM 22 CG PHE E 81 -16.934 63.265 -18.177 1.00 22.24 C +ATOM 23 CD1 PHE E 81 -17.724 63.115 -17.041 1.00 20.38 C +ATOM 24 CD2 PHE E 81 -17.223 64.302 -19.056 1.00 21.80 C +ATOM 25 CE1 PHE E 81 -18.791 63.993 -16.788 1.00 19.63 C +ATOM 26 CE2 PHE E 81 -18.275 65.177 -18.814 1.00 18.67 C +ATOM 27 CZ PHE E 81 -19.060 65.019 -17.681 1.00 21.70 C +ATOM 28 N PRO E 82 -16.950 59.424 -16.483 1.00 20.86 N +ATOM 29 CA PRO E 82 -18.018 58.430 -16.415 1.00 21.71 C +ATOM 30 C PRO E 82 -19.402 59.023 -16.621 1.00 23.50 C +ATOM 31 O PRO E 82 -20.263 58.351 -17.196 1.00 26.58 O +ATOM 32 CB PRO E 82 -17.889 57.864 -14.995 1.00 22.07 C +ATOM 33 CG PRO E 82 -16.485 58.099 -14.638 1.00 21.06 C +ATOM 34 CD PRO E 82 -16.102 59.399 -15.276 1.00 19.91 C +ATOM 35 N GLY E 83 -19.605 60.265 -16.197 1.00 22.71 N +ATOM 36 CA GLY E 83 -20.914 60.888 -16.299 1.00 21.77 C +ATOM 37 C GLY E 83 -21.400 61.062 -17.735 1.00 23.03 C +ATOM 38 O GLY E 83 -22.572 61.292 -17.947 1.00 20.65 O +ATOM 39 N MET E 84 -20.512 60.956 -18.722 1.00 19.39 N +ATOM 40 CA MET E 84 -20.941 61.035 -20.109 1.00 17.97 C +ATOM 41 C MET E 84 -20.879 59.673 -20.793 1.00 20.43 C +ATOM 42 O MET E 84 -20.793 59.581 -22.019 1.00 21.94 O +ATOM 43 CB MET E 84 -20.180 62.128 -20.867 1.00 19.52 C +ATOM 44 CG MET E 84 -20.831 63.510 -20.723 1.00 30.08 C +ATOM 45 SD MET E 84 -22.456 63.513 -21.541 1.00 34.34 S +ATOM 46 CE MET E 84 -22.595 65.068 -21.990 1.00 36.75 C +ATOM 47 N GLY E 85 -20.945 58.612 -19.987 1.00 19.21 N +ATOM 48 CA GLY E 85 -20.932 57.258 -20.514 1.00 16.53 C +ATOM 49 C GLY E 85 -22.204 56.887 -21.262 1.00 23.10 C +ATOM 50 O GLY E 85 -22.204 55.965 -22.066 1.00 21.94 O +ATOM 51 N SER E 86 -23.288 57.615 -21.012 1.00 18.24 N +ATOM 52 CA SER E 86 -24.547 57.361 -21.698 1.00 19.35 C +ATOM 53 C SER E 86 -24.564 58.032 -23.077 1.00 20.09 C +ATOM 54 O SER E 86 -24.448 59.263 -23.196 1.00 19.99 O +ATOM 55 CB SER E 86 -25.720 57.860 -20.853 1.00 21.96 C +ATOM 56 OG SER E 86 -26.859 58.060 -21.661 1.00 27.44 O +ATOM 57 N GLU E 87 -24.715 57.218 -24.116 1.00 19.69 N +ATOM 58 CA GLU E 87 -24.807 57.732 -25.479 1.00 22.00 C +ATOM 59 C GLU E 87 -25.956 58.730 -25.649 1.00 21.24 C +ATOM 60 O GLU E 87 -25.816 59.738 -26.332 1.00 18.61 O +ATOM 61 CB GLU E 87 -24.964 56.599 -26.494 1.00 21.18 C +ATOM 62 CG GLU E 87 -24.994 57.122 -27.927 1.00 27.35 C +ATOM 63 CD GLU E 87 -25.065 56.031 -28.950 1.00 33.33 C +ATOM 64 OE1 GLU E 87 -24.902 54.857 -28.568 1.00 35.26 O +ATOM 65 OE2 GLU E 87 -25.288 56.354 -30.133 1.00 39.30 O +ATOM 66 N GLU E 88 -27.085 58.424 -25.024 1.00 25.06 N +ATOM 67 CA GLU E 88 -28.263 59.278 -25.034 1.00 28.88 C +ATOM 68 C GLU E 88 -27.903 60.661 -24.511 1.00 23.90 C +ATOM 69 O GLU E 88 -28.199 61.681 -25.143 1.00 25.82 O +ATOM 70 CB GLU E 88 -29.354 58.642 -24.162 1.00 35.71 C +ATOM 71 CG GLU E 88 -30.772 58.951 -24.610 1.00 51.07 C +ATOM 72 CD GLU E 88 -31.808 58.592 -23.556 1.00 58.46 C +ATOM 73 OE1 GLU E 88 -31.898 57.392 -23.190 1.00 62.15 O +ATOM 74 OE2 GLU E 88 -32.541 59.506 -23.102 1.00 58.60 O +ATOM 75 N LEU E 89 -27.242 60.688 -23.359 1.00 19.44 N +ATOM 76 CA LEU E 89 -26.815 61.931 -22.754 1.00 20.60 C +ATOM 77 C LEU E 89 -25.804 62.650 -23.653 1.00 18.32 C +ATOM 78 O LEU E 89 -25.863 63.850 -23.814 1.00 20.30 O +ATOM 79 CB LEU E 89 -26.219 61.682 -21.372 1.00 25.40 C +ATOM 80 CG LEU E 89 -26.750 62.410 -20.133 1.00 36.96 C +ATOM 81 CD1 LEU E 89 -25.584 62.701 -19.155 1.00 33.07 C +ATOM 82 CD2 LEU E 89 -27.551 63.693 -20.451 1.00 34.92 C +ATOM 83 N ARG E 90 -24.889 61.911 -24.262 1.00 17.56 N +ATOM 84 CA ARG E 90 -23.941 62.546 -25.171 1.00 17.15 C +ATOM 85 C ARG E 90 -24.668 63.160 -26.367 1.00 19.19 C +ATOM 86 O ARG E 90 -24.295 64.220 -26.844 1.00 20.45 O +ATOM 87 CB ARG E 90 -22.907 61.546 -25.650 1.00 14.68 C +ATOM 88 CG ARG E 90 -21.929 61.086 -24.586 1.00 18.18 C +ATOM 89 CD ARG E 90 -20.666 60.456 -25.168 1.00 17.06 C +ATOM 90 NE ARG E 90 -20.955 59.287 -26.015 1.00 17.85 N +ATOM 91 CZ ARG E 90 -21.170 58.053 -25.553 1.00 16.01 C +ATOM 92 NH1 ARG E 90 -21.143 57.814 -24.254 1.00 16.75 N +ATOM 93 NH2 ARG E 90 -21.406 57.048 -26.391 1.00 16.25 N +ATOM 94 N LEU E 91 -25.701 62.479 -26.856 1.00 20.18 N +ATOM 95 CA LEU E 91 -26.480 63.002 -27.964 1.00 19.69 C +ATOM 96 C LEU E 91 -27.201 64.278 -27.531 1.00 16.74 C +ATOM 97 O LEU E 91 -27.245 65.256 -28.275 1.00 16.50 O +ATOM 98 CB LEU E 91 -27.497 61.966 -28.431 1.00 21.26 C +ATOM 99 CG LEU E 91 -27.862 61.833 -29.921 1.00 24.75 C +ATOM 100 CD1 LEU E 91 -29.350 61.459 -30.078 1.00 21.36 C +ATOM 101 CD2 LEU E 91 -27.484 63.027 -30.780 1.00 20.77 C +ATOM 102 N ALA E 92 -27.761 64.247 -26.328 1.00 13.48 N +ATOM 103 CA ALA E 92 -28.498 65.378 -25.777 1.00 16.68 C +ATOM 104 C ALA E 92 -27.610 66.609 -25.726 1.00 20.65 C +ATOM 105 O ALA E 92 -28.084 67.727 -25.919 1.00 23.32 O +ATOM 106 CB ALA E 92 -29.024 65.049 -24.400 1.00 14.05 C +ATOM 107 N SER E 93 -26.316 66.392 -25.507 1.00 17.39 N +ATOM 108 CA SER E 93 -25.363 67.493 -25.396 1.00 18.99 C +ATOM 109 C SER E 93 -25.249 68.276 -26.692 1.00 15.39 C +ATOM 110 O SER E 93 -24.717 69.383 -26.698 1.00 22.96 O +ATOM 111 CB SER E 93 -23.981 66.992 -24.944 1.00 16.36 C +ATOM 112 OG SER E 93 -23.257 66.406 -26.030 1.00 16.73 O +ATOM 113 N PHE E 94 -25.740 67.701 -27.788 1.00 15.61 N +ATOM 114 CA PHE E 94 -25.617 68.347 -29.092 1.00 16.93 C +ATOM 115 C PHE E 94 -26.814 69.227 -29.435 1.00 19.07 C +ATOM 116 O PHE E 94 -26.973 69.624 -30.586 1.00 18.79 O +ATOM 117 CB PHE E 94 -25.366 67.313 -30.209 1.00 16.85 C +ATOM 118 CG PHE E 94 -23.983 66.702 -30.176 1.00 17.33 C +ATOM 119 CD1 PHE E 94 -22.926 67.303 -30.851 1.00 17.91 C +ATOM 120 CD2 PHE E 94 -23.751 65.517 -29.490 1.00 16.19 C +ATOM 121 CE1 PHE E 94 -21.651 66.746 -30.829 1.00 20.75 C +ATOM 122 CE2 PHE E 94 -22.481 64.946 -29.460 1.00 16.31 C +ATOM 123 CZ PHE E 94 -21.422 65.571 -30.119 1.00 16.57 C +ATOM 124 N TYR E 95 -27.646 69.537 -28.440 1.00 15.63 N +ATOM 125 CA TYR E 95 -28.841 70.339 -28.674 1.00 21.85 C +ATOM 126 C TYR E 95 -28.562 71.710 -29.346 1.00 24.22 C +ATOM 127 O TYR E 95 -29.431 72.244 -30.020 1.00 27.19 O +ATOM 128 CB TYR E 95 -29.626 70.511 -27.368 1.00 20.41 C +ATOM 129 CG TYR E 95 -28.927 71.387 -26.372 1.00 21.49 C +ATOM 130 CD1 TYR E 95 -29.103 72.762 -26.388 1.00 20.51 C +ATOM 131 CD2 TYR E 95 -28.067 70.844 -25.424 1.00 27.14 C +ATOM 132 CE1 TYR E 95 -28.450 73.582 -25.477 1.00 22.19 C +ATOM 133 CE2 TYR E 95 -27.402 71.650 -24.515 1.00 30.87 C +ATOM 134 CZ TYR E 95 -27.598 73.020 -24.546 1.00 29.67 C +ATOM 135 OH TYR E 95 -26.944 73.818 -23.632 1.00 35.34 O +ATOM 136 N ASP E 96 -27.363 72.260 -29.143 1.00 23.46 N +ATOM 137 CA ASP E 96 -26.922 73.499 -29.786 1.00 26.61 C +ATOM 138 C ASP E 96 -25.707 73.279 -30.698 1.00 24.84 C +ATOM 139 O ASP E 96 -24.897 74.189 -30.904 1.00 24.43 O +ATOM 140 CB ASP E 96 -26.573 74.562 -28.735 1.00 32.16 C +ATOM 141 CG ASP E 96 -27.757 75.466 -28.373 1.00 45.74 C +ATOM 142 OD1 ASP E 96 -28.823 75.387 -29.030 1.00 45.92 O +ATOM 143 OD2 ASP E 96 -27.705 76.299 -27.430 1.00 51.74 O +ATOM 144 N TRP E 97 -25.560 72.067 -31.214 1.00 22.04 N +ATOM 145 CA TRP E 97 -24.538 71.784 -32.222 1.00 22.23 C +ATOM 146 C TRP E 97 -24.757 72.710 -33.418 1.00 26.90 C +ATOM 147 O TRP E 97 -25.868 72.785 -33.952 1.00 28.43 O +ATOM 148 CB TRP E 97 -24.665 70.341 -32.670 1.00 18.30 C +ATOM 149 CG TRP E 97 -23.614 69.807 -33.599 1.00 17.68 C +ATOM 150 CD1 TRP E 97 -23.822 69.274 -34.846 1.00 16.23 C +ATOM 151 CD2 TRP E 97 -22.206 69.702 -33.351 1.00 16.42 C +ATOM 152 NE1 TRP E 97 -22.631 68.845 -35.383 1.00 16.45 N +ATOM 153 CE2 TRP E 97 -21.623 69.091 -34.486 1.00 15.75 C +ATOM 154 CE3 TRP E 97 -21.373 70.053 -32.281 1.00 13.44 C +ATOM 155 CZ2 TRP E 97 -20.256 68.846 -34.587 1.00 16.60 C +ATOM 156 CZ3 TRP E 97 -20.013 69.797 -32.382 1.00 18.88 C +ATOM 157 CH2 TRP E 97 -19.469 69.201 -33.526 1.00 17.14 C +ATOM 158 N PRO E 98 -23.705 73.418 -33.831 1.00 28.90 N +ATOM 159 CA PRO E 98 -23.814 74.356 -34.952 1.00 29.79 C +ATOM 160 C PRO E 98 -24.114 73.615 -36.254 1.00 31.47 C +ATOM 161 O PRO E 98 -23.498 72.583 -36.558 1.00 30.03 O +ATOM 162 CB PRO E 98 -22.446 75.052 -34.979 1.00 26.09 C +ATOM 163 CG PRO E 98 -21.530 74.140 -34.241 1.00 27.00 C +ATOM 164 CD PRO E 98 -22.347 73.384 -33.259 1.00 25.07 C +ATOM 165 N LEU E 99 -25.084 74.137 -36.999 1.00 33.80 N +ATOM 166 CA LEU E 99 -25.466 73.566 -38.286 1.00 35.25 C +ATOM 167 C LEU E 99 -24.315 73.594 -39.281 1.00 32.41 C +ATOM 168 O LEU E 99 -24.215 72.720 -40.144 1.00 31.89 O +ATOM 169 CB LEU E 99 -26.703 74.272 -38.862 1.00 40.96 C +ATOM 170 CG LEU E 99 -28.099 73.660 -38.622 1.00 42.47 C +ATOM 171 CD1 LEU E 99 -28.050 72.238 -38.073 1.00 41.95 C +ATOM 172 CD2 LEU E 99 -28.907 74.543 -37.685 1.00 42.56 C +ATOM 173 N THR E 100 -23.419 74.564 -39.127 1.00 31.70 N +ATOM 174 CA THR E 100 -22.273 74.690 -40.030 1.00 30.23 C +ATOM 175 C THR E 100 -21.279 73.540 -39.919 1.00 29.64 C +ATOM 176 O THR E 100 -20.474 73.327 -40.832 1.00 28.65 O +ATOM 177 CB THR E 100 -21.547 76.026 -39.811 1.00 29.80 C +ATOM 178 OG1 THR E 100 -21.284 76.197 -38.418 1.00 28.91 O +ATOM 179 CG2 THR E 100 -22.461 77.214 -40.170 1.00 32.82 C +ATOM 180 N ALA E 101 -21.328 72.798 -38.813 1.00 31.64 N +ATOM 181 CA ALA E 101 -20.383 71.692 -38.585 1.00 30.41 C +ATOM 182 C ALA E 101 -20.540 70.586 -39.618 1.00 30.51 C +ATOM 183 O ALA E 101 -19.549 70.060 -40.137 1.00 36.22 O +ATOM 184 CB ALA E 101 -20.533 71.142 -37.188 1.00 31.50 C +ATOM 185 N GLU E 102 -21.789 70.251 -39.915 1.00 26.24 N +ATOM 186 CA GLU E 102 -22.139 69.294 -40.968 1.00 31.18 C +ATOM 187 C GLU E 102 -21.672 67.864 -40.690 1.00 28.87 C +ATOM 188 O GLU E 102 -21.443 67.084 -41.613 1.00 29.09 O +ATOM 189 CB GLU E 102 -21.656 69.781 -42.341 1.00 35.91 C +ATOM 190 CG GLU E 102 -22.787 70.167 -43.273 1.00 43.14 C +ATOM 191 CD GLU E 102 -22.488 71.417 -44.078 1.00 44.86 C +ATOM 192 OE1 GLU E 102 -21.460 71.445 -44.797 1.00 33.74 O +ATOM 193 OE2 GLU E 102 -23.287 72.374 -43.978 1.00 50.15 O +ATOM 194 N VAL E 103 -21.516 67.541 -39.411 1.00 25.14 N +ATOM 195 CA VAL E 103 -21.248 66.183 -38.975 1.00 23.09 C +ATOM 196 C VAL E 103 -22.394 65.837 -38.044 1.00 20.08 C +ATOM 197 O VAL E 103 -22.675 66.591 -37.108 1.00 21.62 O +ATOM 198 CB VAL E 103 -19.900 66.044 -38.223 1.00 23.11 C +ATOM 199 CG1 VAL E 103 -19.706 64.626 -37.732 1.00 20.68 C +ATOM 200 CG2 VAL E 103 -18.727 66.444 -39.114 1.00 21.88 C +ATOM 201 N PRO E 104 -23.057 64.716 -38.321 1.00 18.24 N +ATOM 202 CA PRO E 104 -24.210 64.279 -37.533 1.00 18.83 C +ATOM 203 C PRO E 104 -23.844 64.053 -36.065 1.00 19.17 C +ATOM 204 O PRO E 104 -22.928 63.292 -35.763 1.00 23.76 O +ATOM 205 CB PRO E 104 -24.608 62.938 -38.186 1.00 16.01 C +ATOM 206 CG PRO E 104 -23.957 62.933 -39.542 1.00 18.61 C +ATOM 207 CD PRO E 104 -22.740 63.785 -39.428 1.00 16.02 C +ATOM 208 N PRO E 105 -24.551 64.738 -35.177 1.00 18.64 N +ATOM 209 CA PRO E 105 -24.475 64.492 -33.740 1.00 16.95 C +ATOM 210 C PRO E 105 -24.631 63.017 -33.370 1.00 18.91 C +ATOM 211 O PRO E 105 -23.919 62.536 -32.510 1.00 17.09 O +ATOM 212 CB PRO E 105 -25.671 65.281 -33.214 1.00 16.22 C +ATOM 213 CG PRO E 105 -25.746 66.441 -34.140 1.00 15.85 C +ATOM 214 CD PRO E 105 -25.483 65.847 -35.491 1.00 19.51 C +ATOM 215 N GLU E 106 -25.575 62.330 -33.997 1.00 14.62 N +ATOM 216 CA GLU E 106 -25.816 60.938 -33.697 1.00 19.46 C +ATOM 217 C GLU E 106 -24.543 60.121 -33.882 1.00 21.54 C +ATOM 218 O GLU E 106 -24.241 59.277 -33.049 1.00 20.30 O +ATOM 219 CB GLU E 106 -26.969 60.388 -34.532 1.00 21.67 C +ATOM 220 CG GLU E 106 -28.339 60.782 -33.981 1.00 24.48 C +ATOM 221 CD GLU E 106 -29.485 60.587 -34.974 1.00 32.31 C +ATOM 222 OE1 GLU E 106 -29.395 59.689 -35.838 1.00 35.74 O +ATOM 223 OE2 GLU E 106 -30.502 61.316 -34.876 1.00 30.96 O +ATOM 224 N LEU E 107 -23.787 60.420 -34.935 1.00 18.46 N +ATOM 225 CA LEU E 107 -22.511 59.758 -35.207 1.00 21.70 C +ATOM 226 C LEU E 107 -21.457 60.157 -34.187 1.00 24.58 C +ATOM 227 O LEU E 107 -20.691 59.313 -33.703 1.00 21.90 O +ATOM 228 CB LEU E 107 -22.030 60.114 -36.610 1.00 21.06 C +ATOM 229 CG LEU E 107 -22.067 59.066 -37.730 1.00 27.05 C +ATOM 230 CD1 LEU E 107 -23.198 58.049 -37.602 1.00 24.83 C +ATOM 231 CD2 LEU E 107 -22.052 59.723 -39.095 1.00 22.84 C +ATOM 232 N LEU E 108 -21.428 61.445 -33.847 1.00 20.78 N +ATOM 233 CA LEU E 108 -20.467 61.935 -32.878 1.00 20.18 C +ATOM 234 C LEU E 108 -20.694 61.305 -31.509 1.00 19.87 C +ATOM 235 O LEU E 108 -19.744 60.865 -30.860 1.00 20.11 O +ATOM 236 CB LEU E 108 -20.525 63.452 -32.784 1.00 19.64 C +ATOM 237 CG LEU E 108 -19.861 64.168 -33.956 1.00 18.24 C +ATOM 238 CD1 LEU E 108 -20.430 65.561 -34.074 1.00 18.84 C +ATOM 239 CD2 LEU E 108 -18.364 64.223 -33.770 1.00 13.79 C +ATOM 240 N ALA E 109 -21.952 61.242 -31.085 1.00 18.81 N +ATOM 241 CA ALA E 109 -22.291 60.689 -29.774 1.00 17.98 C +ATOM 242 C ALA E 109 -22.025 59.181 -29.707 1.00 20.30 C +ATOM 243 O ALA E 109 -21.476 58.676 -28.714 1.00 21.16 O +ATOM 244 CB ALA E 109 -23.744 61.016 -29.411 1.00 14.82 C +ATOM 245 N ALA E 110 -22.397 58.467 -30.767 1.00 20.38 N +ATOM 246 CA ALA E 110 -22.071 57.046 -30.879 1.00 21.68 C +ATOM 247 C ALA E 110 -20.560 56.791 -30.802 1.00 21.53 C +ATOM 248 O ALA E 110 -20.146 55.780 -30.262 1.00 21.78 O +ATOM 249 CB ALA E 110 -22.643 56.463 -32.171 1.00 18.96 C +ATOM 250 N ALA E 111 -19.755 57.709 -31.343 1.00 17.28 N +ATOM 251 CA ALA E 111 -18.294 57.580 -31.345 1.00 19.67 C +ATOM 252 C ALA E 111 -17.643 58.049 -30.034 1.00 20.43 C +ATOM 253 O ALA E 111 -16.421 58.160 -29.943 1.00 16.60 O +ATOM 254 CB ALA E 111 -17.685 58.329 -32.537 1.00 15.65 C +ATOM 255 N GLY E 112 -18.467 58.314 -29.026 1.00 16.66 N +ATOM 256 CA GLY E 112 -17.977 58.593 -27.687 1.00 18.58 C +ATOM 257 C GLY E 112 -17.939 60.074 -27.372 1.00 21.47 C +ATOM 258 O GLY E 112 -17.574 60.468 -26.259 1.00 20.05 O +ATOM 259 N PHE E 113 -18.325 60.900 -28.341 1.00 18.18 N +ATOM 260 CA PHE E 113 -18.140 62.343 -28.190 1.00 16.59 C +ATOM 261 C PHE E 113 -19.361 63.048 -27.648 1.00 19.24 C +ATOM 262 O PHE E 113 -20.484 62.777 -28.072 1.00 18.43 O +ATOM 263 CB PHE E 113 -17.762 62.979 -29.520 1.00 12.55 C +ATOM 264 CG PHE E 113 -16.450 62.517 -30.053 1.00 15.74 C +ATOM 265 CD1 PHE E 113 -15.259 62.910 -29.453 1.00 13.87 C +ATOM 266 CD2 PHE E 113 -16.402 61.689 -31.158 1.00 17.36 C +ATOM 267 CE1 PHE E 113 -14.040 62.472 -29.963 1.00 15.33 C +ATOM 268 CE2 PHE E 113 -15.178 61.249 -31.669 1.00 21.51 C +ATOM 269 CZ PHE E 113 -14.003 61.650 -31.059 1.00 16.42 C +ATOM 270 N PHE E 114 -19.133 63.994 -26.746 1.00 19.71 N +ATOM 271 CA PHE E 114 -20.178 64.930 -26.376 1.00 17.77 C +ATOM 272 C PHE E 114 -19.753 66.338 -26.750 1.00 19.47 C +ATOM 273 O PHE E 114 -18.568 66.629 -26.899 1.00 21.48 O +ATOM 274 CB PHE E 114 -20.513 64.845 -24.880 1.00 20.23 C +ATOM 275 CG PHE E 114 -19.365 65.191 -23.984 1.00 21.40 C +ATOM 276 CD1 PHE E 114 -19.157 66.508 -23.578 1.00 20.52 C +ATOM 277 CD2 PHE E 114 -18.481 64.198 -23.548 1.00 20.19 C +ATOM 278 CE1 PHE E 114 -18.064 66.842 -22.752 1.00 21.35 C +ATOM 279 CE2 PHE E 114 -17.392 64.520 -22.719 1.00 20.26 C +ATOM 280 CZ PHE E 114 -17.185 65.843 -22.327 1.00 20.55 C +ATOM 281 N HIS E 115 -20.738 67.213 -26.891 1.00 15.86 N +ATOM 282 CA HIS E 115 -20.484 68.594 -27.253 1.00 20.45 C +ATOM 283 C HIS E 115 -20.053 69.382 -26.017 1.00 16.42 C +ATOM 284 O HIS E 115 -20.711 69.326 -24.984 1.00 19.04 O +ATOM 285 CB HIS E 115 -21.749 69.194 -27.865 1.00 18.72 C +ATOM 286 CG HIS E 115 -21.550 70.546 -28.457 1.00 19.60 C +ATOM 287 ND1 HIS E 115 -22.595 71.415 -28.681 1.00 18.56 N +ATOM 288 CD2 HIS E 115 -20.433 71.174 -28.897 1.00 16.48 C +ATOM 289 CE1 HIS E 115 -22.129 72.525 -29.225 1.00 20.64 C +ATOM 290 NE2 HIS E 115 -20.822 72.396 -29.380 1.00 18.90 N +ATOM 291 N THR E 116 -18.943 70.102 -26.111 1.00 19.53 N +ATOM 292 CA THR E 116 -18.512 70.942 -24.979 1.00 29.43 C +ATOM 293 C THR E 116 -19.424 72.158 -24.796 1.00 34.72 C +ATOM 294 O THR E 116 -19.535 72.702 -23.692 1.00 38.53 O +ATOM 295 CB THR E 116 -17.098 71.431 -25.172 1.00 28.92 C +ATOM 296 OG1 THR E 116 -17.049 72.235 -26.367 1.00 29.21 O +ATOM 297 CG2 THR E 116 -16.137 70.250 -25.418 1.00 28.01 C +ATOM 298 N GLY E 117 -20.087 72.562 -25.877 1.00 38.46 N +ATOM 299 CA GLY E 117 -20.940 73.737 -25.875 1.00 41.28 C +ATOM 300 C GLY E 117 -20.255 74.892 -26.570 1.00 43.60 C +ATOM 301 O GLY E 117 -20.914 75.785 -27.099 1.00 47.53 O +ATOM 302 N HIS E 118 -18.927 74.878 -26.563 1.00 45.35 N +ATOM 303 CA HIS E 118 -18.154 75.905 -27.248 1.00 49.38 C +ATOM 304 C HIS E 118 -17.856 75.499 -28.689 1.00 43.75 C +ATOM 305 O HIS E 118 -17.223 74.465 -28.939 1.00 36.83 O +ATOM 306 CB HIS E 118 -16.872 76.229 -26.472 1.00 59.87 C +ATOM 307 CG HIS E 118 -17.126 76.831 -25.121 1.00 68.59 C +ATOM 308 ND1 HIS E 118 -18.301 77.484 -24.804 1.00 71.37 N +ATOM 309 CD2 HIS E 118 -16.360 76.874 -24.004 1.00 69.89 C +ATOM 310 CE1 HIS E 118 -18.248 77.898 -23.550 1.00 71.77 C +ATOM 311 NE2 HIS E 118 -17.080 77.544 -23.043 1.00 71.75 N +ATOM 312 N GLN E 119 -18.353 76.311 -29.626 1.00 40.09 N +ATOM 313 CA GLN E 119 -18.142 76.109 -31.059 1.00 37.75 C +ATOM 314 C GLN E 119 -18.574 74.703 -31.470 1.00 33.13 C +ATOM 315 O GLN E 119 -19.664 74.249 -31.112 1.00 29.80 O +ATOM 316 CB GLN E 119 -16.670 76.361 -31.429 1.00 45.09 C +ATOM 317 CG GLN E 119 -16.279 77.836 -31.532 1.00 54.23 C +ATOM 318 CD GLN E 119 -15.909 78.443 -30.190 1.00 59.86 C +ATOM 319 OE1 GLN E 119 -14.840 78.152 -29.641 1.00 62.91 O +ATOM 320 NE2 GLN E 119 -16.790 79.287 -29.659 1.00 60.20 N +ATOM 321 N ASP E 120 -17.702 74.004 -32.189 1.00 29.42 N +ATOM 322 CA ASP E 120 -17.966 72.632 -32.574 1.00 27.76 C +ATOM 323 C ASP E 120 -16.994 71.681 -31.874 1.00 26.80 C +ATOM 324 O ASP E 120 -16.651 70.616 -32.400 1.00 28.71 O +ATOM 325 CB ASP E 120 -17.897 72.490 -34.101 1.00 25.30 C +ATOM 326 CG ASP E 120 -16.500 72.654 -34.642 1.00 27.84 C +ATOM 327 OD1 ASP E 120 -15.608 73.187 -33.929 1.00 29.36 O +ATOM 328 OD2 ASP E 120 -16.200 72.259 -35.784 1.00 28.56 O +ATOM 329 N LYS E 121 -16.547 72.083 -30.690 1.00 23.34 N +ATOM 330 CA LYS E 121 -15.631 71.278 -29.904 1.00 25.65 C +ATOM 331 C LYS E 121 -16.382 70.140 -29.228 1.00 23.03 C +ATOM 332 O LYS E 121 -17.380 70.350 -28.530 1.00 24.14 O +ATOM 333 CB LYS E 121 -14.908 72.126 -28.857 1.00 32.74 C +ATOM 334 CG LYS E 121 -13.483 71.647 -28.549 1.00 42.78 C +ATOM 335 CD LYS E 121 -13.104 71.845 -27.082 1.00 48.40 C +ATOM 336 CE LYS E 121 -12.030 72.907 -26.913 1.00 52.72 C +ATOM 337 NZ LYS E 121 -11.930 73.394 -25.501 1.00 55.51 N +ATOM 338 N VAL E 122 -15.913 68.924 -29.468 1.00 18.89 N +ATOM 339 CA VAL E 122 -16.459 67.764 -28.794 1.00 21.48 C +ATOM 340 C VAL E 122 -15.368 67.078 -28.012 1.00 23.05 C +ATOM 341 O VAL E 122 -14.173 67.330 -28.210 1.00 22.91 O +ATOM 342 CB VAL E 122 -17.102 66.753 -29.765 1.00 21.05 C +ATOM 343 CG1 VAL E 122 -18.174 67.422 -30.589 1.00 16.34 C +ATOM 344 CG2 VAL E 122 -16.053 66.097 -30.636 1.00 20.73 C +ATOM 345 N ARG E 123 -15.783 66.189 -27.126 1.00 19.69 N +ATOM 346 CA ARG E 123 -14.824 65.499 -26.301 1.00 17.66 C +ATOM 347 C ARG E 123 -15.312 64.093 -26.046 1.00 16.40 C +ATOM 348 O ARG E 123 -16.488 63.876 -25.796 1.00 14.82 O +ATOM 349 CB ARG E 123 -14.623 66.244 -24.983 1.00 16.05 C +ATOM 350 CG ARG E 123 -13.443 65.739 -24.183 1.00 22.42 C +ATOM 351 CD ARG E 123 -13.225 66.465 -22.854 1.00 22.85 C +ATOM 352 NE ARG E 123 -13.003 67.904 -23.013 1.00 23.76 N +ATOM 353 CZ ARG E 123 -11.899 68.457 -23.513 1.00 27.76 C +ATOM 354 NH1 ARG E 123 -10.881 67.697 -23.927 1.00 25.98 N +ATOM 355 NH2 ARG E 123 -11.813 69.784 -23.605 1.00 26.60 N +ATOM 356 N CYS E 124 -14.395 63.140 -26.121 1.00 16.57 N +ATOM 357 CA CYS E 124 -14.723 61.775 -25.836 1.00 15.49 C +ATOM 358 C CYS E 124 -14.854 61.593 -24.337 1.00 17.47 C +ATOM 359 O CYS E 124 -13.985 62.014 -23.592 1.00 16.07 O +ATOM 360 CB CYS E 124 -13.636 60.839 -26.377 1.00 13.50 C +ATOM 361 SG CYS E 124 -14.016 59.156 -25.878 1.00 19.98 S +ATOM 362 N PHE E 125 -15.944 60.973 -23.899 1.00 15.10 N +ATOM 363 CA PHE E 125 -16.158 60.710 -22.478 1.00 17.40 C +ATOM 364 C PHE E 125 -15.096 59.771 -21.900 1.00 19.58 C +ATOM 365 O PHE E 125 -14.800 59.824 -20.702 1.00 17.80 O +ATOM 366 CB PHE E 125 -17.549 60.105 -22.231 1.00 14.19 C +ATOM 367 CG PHE E 125 -17.612 58.603 -22.401 1.00 18.18 C +ATOM 368 CD1 PHE E 125 -17.817 58.045 -23.649 1.00 19.39 C +ATOM 369 CD2 PHE E 125 -17.493 57.755 -21.305 1.00 16.78 C +ATOM 370 CE1 PHE E 125 -17.892 56.659 -23.817 1.00 19.32 C +ATOM 371 CE2 PHE E 125 -17.567 56.380 -21.454 1.00 18.60 C +ATOM 372 CZ PHE E 125 -17.764 55.820 -22.723 1.00 17.60 C +ATOM 373 N PHE E 126 -14.544 58.903 -22.743 1.00 19.86 N +ATOM 374 CA PHE E 126 -13.661 57.868 -22.237 1.00 17.78 C +ATOM 375 C PHE E 126 -12.227 58.352 -22.142 1.00 16.99 C +ATOM 376 O PHE E 126 -11.641 58.303 -21.069 1.00 18.31 O +ATOM 377 CB PHE E 126 -13.783 56.541 -22.994 1.00 18.54 C +ATOM 378 CG PHE E 126 -13.203 55.373 -22.228 1.00 19.26 C +ATOM 379 CD1 PHE E 126 -11.827 55.162 -22.199 1.00 19.71 C +ATOM 380 CD2 PHE E 126 -14.025 54.529 -21.488 1.00 19.30 C +ATOM 381 CE1 PHE E 126 -11.273 54.120 -21.441 1.00 19.54 C +ATOM 382 CE2 PHE E 126 -13.483 53.470 -20.737 1.00 21.86 C +ATOM 383 CZ PHE E 126 -12.089 53.285 -20.718 1.00 22.41 C +ATOM 384 N CYS E 127 -11.683 58.851 -23.247 1.00 17.23 N +ATOM 385 CA CYS E 127 -10.285 59.264 -23.277 1.00 21.84 C +ATOM 386 C CYS E 127 -10.125 60.760 -23.033 1.00 22.24 C +ATOM 387 O CYS E 127 -9.003 61.242 -22.869 1.00 22.70 O +ATOM 388 CB CYS E 127 -9.628 58.866 -24.601 1.00 19.98 C +ATOM 389 SG CYS E 127 -10.236 59.761 -26.063 1.00 21.68 S +ATOM 390 N TYR E 128 -11.248 61.483 -23.028 1.00 19.73 N +ATOM 391 CA TYR E 128 -11.258 62.938 -22.810 1.00 21.60 C +ATOM 392 C TYR E 128 -10.561 63.704 -23.938 1.00 18.96 C +ATOM 393 O TYR E 128 -10.293 64.900 -23.813 1.00 20.48 O +ATOM 394 CB TYR E 128 -10.670 63.301 -21.435 1.00 21.77 C +ATOM 395 CG TYR E 128 -11.421 64.388 -20.684 1.00 22.02 C +ATOM 396 CD1 TYR E 128 -12.725 64.181 -20.216 1.00 24.24 C +ATOM 397 CD2 TYR E 128 -10.822 65.616 -20.429 1.00 20.95 C +ATOM 398 CE1 TYR E 128 -13.411 65.181 -19.523 1.00 23.72 C +ATOM 399 CE2 TYR E 128 -11.504 66.625 -19.741 1.00 19.26 C +ATOM 400 CZ TYR E 128 -12.782 66.403 -19.289 1.00 21.57 C +ATOM 401 OH TYR E 128 -13.430 67.397 -18.604 1.00 21.91 O +ATOM 402 N GLY E 129 -10.306 63.020 -25.055 1.00 20.15 N +ATOM 403 CA GLY E 129 -9.781 63.672 -26.244 1.00 18.61 C +ATOM 404 C GLY E 129 -10.777 64.667 -26.853 1.00 20.93 C +ATOM 405 O GLY E 129 -11.962 64.361 -27.053 1.00 20.63 O +ATOM 406 N GLY E 130 -10.287 65.863 -27.130 1.00 21.29 N +ATOM 407 CA GLY E 130 -11.087 66.942 -27.675 1.00 19.94 C +ATOM 408 C GLY E 130 -10.814 67.071 -29.162 1.00 24.31 C +ATOM 409 O GLY E 130 -9.671 66.954 -29.607 1.00 23.77 O +ATOM 410 N LEU E 131 -11.877 67.296 -29.929 1.00 22.97 N +ATOM 411 CA LEU E 131 -11.786 67.516 -31.366 1.00 23.62 C +ATOM 412 C LEU E 131 -12.734 68.638 -31.764 1.00 27.38 C +ATOM 413 O LEU E 131 -13.830 68.788 -31.201 1.00 26.12 O +ATOM 414 CB LEU E 131 -12.133 66.237 -32.151 1.00 25.66 C +ATOM 415 CG LEU E 131 -11.225 65.001 -32.035 1.00 27.59 C +ATOM 416 CD1 LEU E 131 -11.909 63.776 -32.618 1.00 22.52 C +ATOM 417 CD2 LEU E 131 -9.877 65.223 -32.708 1.00 26.54 C +ATOM 418 N GLN E 132 -12.289 69.434 -32.726 1.00 29.50 N +ATOM 419 CA GLN E 132 -13.028 70.594 -33.194 1.00 31.60 C +ATOM 420 C GLN E 132 -12.745 70.764 -34.676 1.00 29.45 C +ATOM 421 O GLN E 132 -11.993 69.971 -35.243 1.00 27.47 O +ATOM 422 CB GLN E 132 -12.620 71.840 -32.400 1.00 35.84 C +ATOM 423 CG GLN E 132 -11.245 72.392 -32.738 1.00 43.68 C +ATOM 424 CD GLN E 132 -10.789 73.453 -31.752 1.00 50.85 C +ATOM 425 OE1 GLN E 132 -9.742 73.307 -31.127 1.00 55.41 O +ATOM 426 NE2 GLN E 132 -11.568 74.522 -31.617 1.00 52.20 N +ATOM 427 N SER E 133 -13.342 71.793 -35.291 1.00 30.93 N +ATOM 428 CA SER E 133 -13.192 72.071 -36.731 1.00 30.91 C +ATOM 429 C SER E 133 -13.679 70.905 -37.573 1.00 29.01 C +ATOM 430 O SER E 133 -12.982 70.410 -38.460 1.00 28.93 O +ATOM 431 CB SER E 133 -11.750 72.444 -37.087 1.00 34.37 C +ATOM 432 OG SER E 133 -11.196 73.274 -36.084 1.00 38.61 O +ATOM 433 N TRP E 134 -14.893 70.465 -37.273 1.00 27.94 N +ATOM 434 CA TRP E 134 -15.501 69.369 -37.994 1.00 28.22 C +ATOM 435 C TRP E 134 -15.958 69.843 -39.359 1.00 30.59 C +ATOM 436 O TRP E 134 -16.472 70.951 -39.501 1.00 30.48 O +ATOM 437 CB TRP E 134 -16.666 68.807 -37.185 1.00 23.34 C +ATOM 438 CG TRP E 134 -16.180 68.133 -35.955 1.00 21.88 C +ATOM 439 CD1 TRP E 134 -15.914 68.719 -34.746 1.00 21.50 C +ATOM 440 CD2 TRP E 134 -15.861 66.747 -35.806 1.00 21.93 C +ATOM 441 NE1 TRP E 134 -15.462 67.777 -33.853 1.00 20.40 N +ATOM 442 CE2 TRP E 134 -15.419 66.557 -34.477 1.00 21.32 C +ATOM 443 CE3 TRP E 134 -15.899 65.637 -36.663 1.00 23.88 C +ATOM 444 CZ2 TRP E 134 -15.026 65.310 -33.988 1.00 20.01 C +ATOM 445 CZ3 TRP E 134 -15.509 64.406 -36.179 1.00 21.87 C +ATOM 446 CH2 TRP E 134 -15.078 64.249 -34.848 1.00 19.89 C +ATOM 447 N LYS E 135 -15.737 69.007 -40.364 1.00 33.09 N +ATOM 448 CA LYS E 135 -16.117 69.322 -41.732 1.00 35.64 C +ATOM 449 C LYS E 135 -16.980 68.194 -42.258 1.00 33.15 C +ATOM 450 O LYS E 135 -16.811 67.037 -41.860 1.00 28.88 O +ATOM 451 CB LYS E 135 -14.873 69.460 -42.609 1.00 41.23 C +ATOM 452 CG LYS E 135 -14.046 70.709 -42.337 1.00 49.61 C +ATOM 453 CD LYS E 135 -12.553 70.438 -42.527 1.00 57.05 C +ATOM 454 CE LYS E 135 -11.691 71.519 -41.851 1.00 61.17 C +ATOM 455 NZ LYS E 135 -10.810 70.977 -40.761 1.00 60.63 N +ATOM 456 N ARG E 136 -17.899 68.530 -43.159 1.00 32.56 N +ATOM 457 CA ARG E 136 -18.725 67.533 -43.833 1.00 31.66 C +ATOM 458 C ARG E 136 -17.864 66.370 -44.320 1.00 29.58 C +ATOM 459 O ARG E 136 -16.834 66.572 -44.954 1.00 29.54 O +ATOM 460 CB ARG E 136 -19.469 68.171 -45.008 1.00 34.75 C +ATOM 461 CG ARG E 136 -20.552 67.303 -45.595 1.00 39.51 C +ATOM 462 CD ARG E 136 -21.285 67.932 -46.768 1.00 45.88 C +ATOM 463 NE ARG E 136 -22.224 66.981 -47.354 1.00 50.78 N +ATOM 464 CZ ARG E 136 -23.530 66.996 -47.140 1.00 54.90 C +ATOM 465 NH1 ARG E 136 -24.068 67.927 -46.353 1.00 60.54 N +ATOM 466 NH2 ARG E 136 -24.306 66.085 -47.712 1.00 53.27 N +ATOM 467 N GLY E 137 -18.278 65.153 -43.994 1.00 27.92 N +ATOM 468 CA GLY E 137 -17.535 63.985 -44.411 1.00 31.57 C +ATOM 469 C GLY E 137 -16.577 63.452 -43.357 1.00 29.88 C +ATOM 470 O GLY E 137 -16.113 62.332 -43.483 1.00 28.63 O +ATOM 471 N ASP E 138 -16.269 64.242 -42.330 1.00 29.09 N +ATOM 472 CA ASP E 138 -15.475 63.726 -41.218 1.00 27.50 C +ATOM 473 C ASP E 138 -16.226 62.559 -40.602 1.00 28.94 C +ATOM 474 O ASP E 138 -17.430 62.644 -40.350 1.00 29.70 O +ATOM 475 CB ASP E 138 -15.221 64.795 -40.170 1.00 26.48 C +ATOM 476 CG ASP E 138 -14.232 65.840 -40.633 1.00 32.42 C +ATOM 477 OD1 ASP E 138 -13.584 65.628 -41.685 1.00 32.34 O +ATOM 478 OD2 ASP E 138 -14.048 66.910 -40.008 1.00 31.28 O +ATOM 479 N ASP E 139 -15.525 61.449 -40.416 1.00 26.72 N +ATOM 480 CA ASP E 139 -16.114 60.320 -39.736 1.00 23.52 C +ATOM 481 C ASP E 139 -15.628 60.330 -38.298 1.00 22.02 C +ATOM 482 O ASP E 139 -14.433 60.164 -38.052 1.00 27.12 O +ATOM 483 CB ASP E 139 -15.767 59.008 -40.430 1.00 26.39 C +ATOM 484 CG ASP E 139 -16.410 57.821 -39.754 1.00 27.56 C +ATOM 485 OD1 ASP E 139 -17.650 57.676 -39.657 1.00 32.62 O +ATOM 486 OD2 ASP E 139 -15.672 56.965 -39.244 1.00 28.52 O +ATOM 487 N PRO E 140 -16.539 60.562 -37.351 1.00 20.76 N +ATOM 488 CA PRO E 140 -16.189 60.612 -35.923 1.00 18.97 C +ATOM 489 C PRO E 140 -15.326 59.440 -35.442 1.00 19.52 C +ATOM 490 O PRO E 140 -14.310 59.681 -34.796 1.00 18.30 O +ATOM 491 CB PRO E 140 -17.554 60.623 -35.235 1.00 19.17 C +ATOM 492 CG PRO E 140 -18.427 61.352 -36.228 1.00 21.68 C +ATOM 493 CD PRO E 140 -17.968 60.846 -37.577 1.00 19.73 C +ATOM 494 N TRP E 141 -15.699 58.205 -35.762 1.00 20.19 N +ATOM 495 CA TRP E 141 -14.886 57.056 -35.345 1.00 21.71 C +ATOM 496 C TRP E 141 -13.477 57.131 -35.916 1.00 22.15 C +ATOM 497 O TRP E 141 -12.494 56.894 -35.210 1.00 26.25 O +ATOM 498 CB TRP E 141 -15.519 55.753 -35.795 1.00 18.58 C +ATOM 499 CG TRP E 141 -16.554 55.209 -34.883 1.00 19.06 C +ATOM 500 CD1 TRP E 141 -17.798 54.763 -35.240 1.00 18.11 C +ATOM 501 CD2 TRP E 141 -16.447 55.006 -33.468 1.00 12.59 C +ATOM 502 NE1 TRP E 141 -18.461 54.297 -34.132 1.00 18.55 N +ATOM 503 CE2 TRP E 141 -17.653 54.440 -33.034 1.00 15.66 C +ATOM 504 CE3 TRP E 141 -15.452 55.255 -32.523 1.00 15.47 C +ATOM 505 CZ2 TRP E 141 -17.885 54.106 -31.705 1.00 17.46 C +ATOM 506 CZ3 TRP E 141 -15.682 54.936 -31.220 1.00 16.33 C +ATOM 507 CH2 TRP E 141 -16.892 54.369 -30.815 1.00 19.21 C +ATOM 508 N THR E 142 -13.387 57.457 -37.199 1.00 24.20 N +ATOM 509 CA THR E 142 -12.096 57.561 -37.882 1.00 26.33 C +ATOM 510 C THR E 142 -11.239 58.650 -37.264 1.00 25.23 C +ATOM 511 O THR E 142 -10.046 58.431 -36.987 1.00 26.60 O +ATOM 512 CB THR E 142 -12.312 57.832 -39.381 1.00 26.81 C +ATOM 513 OG1 THR E 142 -13.048 56.743 -39.945 1.00 27.71 O +ATOM 514 CG2 THR E 142 -10.987 57.813 -40.140 1.00 24.44 C +ATOM 515 N GLU E 143 -11.848 59.818 -37.037 1.00 23.67 N +ATOM 516 CA GLU E 143 -11.172 60.921 -36.359 1.00 22.33 C +ATOM 517 C GLU E 143 -10.746 60.490 -34.964 1.00 22.80 C +ATOM 518 O GLU E 143 -9.644 60.794 -34.520 1.00 24.51 O +ATOM 519 CB GLU E 143 -12.074 62.160 -36.271 1.00 23.10 C +ATOM 520 CG GLU E 143 -12.393 62.813 -37.606 1.00 27.05 C +ATOM 521 CD GLU E 143 -11.169 63.000 -38.480 1.00 24.60 C +ATOM 522 OE1 GLU E 143 -10.227 63.675 -38.048 1.00 26.38 O +ATOM 523 OE2 GLU E 143 -11.151 62.468 -39.605 1.00 32.65 O +ATOM 524 N HIS E 144 -11.636 59.788 -34.276 1.00 24.67 N +ATOM 525 CA HIS E 144 -11.340 59.258 -32.949 1.00 26.01 C +ATOM 526 C HIS E 144 -10.093 58.372 -33.022 1.00 26.49 C +ATOM 527 O HIS E 144 -9.207 58.468 -32.175 1.00 25.42 O +ATOM 528 CB HIS E 144 -12.530 58.455 -32.425 1.00 15.45 C +ATOM 529 CG HIS E 144 -12.633 58.416 -30.931 1.00 19.55 C +ATOM 530 ND1 HIS E 144 -13.844 58.282 -30.278 1.00 18.52 N +ATOM 531 CD2 HIS E 144 -11.684 58.474 -29.963 1.00 15.55 C +ATOM 532 CE1 HIS E 144 -13.633 58.268 -28.973 1.00 19.96 C +ATOM 533 NE2 HIS E 144 -12.332 58.394 -28.756 1.00 20.13 N +ATOM 534 N ALA E 145 -10.038 57.524 -34.049 1.00 25.96 N +ATOM 535 CA ALA E 145 -8.914 56.603 -34.254 1.00 26.02 C +ATOM 536 C ALA E 145 -7.635 57.318 -34.678 1.00 28.25 C +ATOM 537 O ALA E 145 -6.542 56.941 -34.244 1.00 26.36 O +ATOM 538 CB ALA E 145 -9.288 55.534 -35.252 1.00 20.01 C +ATOM 539 N LYS E 146 -7.773 58.358 -35.504 1.00 29.06 N +ATOM 540 CA LYS E 146 -6.623 59.150 -35.939 1.00 32.05 C +ATOM 541 C LYS E 146 -5.936 59.760 -34.738 1.00 31.63 C +ATOM 542 O LYS E 146 -4.722 59.663 -34.588 1.00 36.60 O +ATOM 543 CB LYS E 146 -7.041 60.297 -36.876 1.00 34.01 C +ATOM 544 CG LYS E 146 -7.408 59.913 -38.307 1.00 37.66 C +ATOM 545 CD LYS E 146 -7.428 61.150 -39.206 1.00 38.61 C +ATOM 546 CE LYS E 146 -8.109 60.872 -40.543 1.00 41.64 C +ATOM 547 NZ LYS E 146 -8.745 62.101 -41.126 1.00 38.80 N +ATOM 548 N TRP E 147 -6.734 60.382 -33.878 1.00 29.27 N +ATOM 549 CA TRP E 147 -6.219 61.294 -32.870 1.00 29.17 C +ATOM 550 C TRP E 147 -6.007 60.657 -31.509 1.00 29.12 C +ATOM 551 O TRP E 147 -5.059 61.010 -30.792 1.00 29.65 O +ATOM 552 CB TRP E 147 -7.142 62.500 -32.761 1.00 32.20 C +ATOM 553 CG TRP E 147 -7.090 63.352 -33.977 1.00 41.85 C +ATOM 554 CD1 TRP E 147 -8.002 63.399 -34.989 1.00 41.28 C +ATOM 555 CD2 TRP E 147 -6.062 64.282 -34.322 1.00 45.23 C +ATOM 556 NE1 TRP E 147 -7.612 64.308 -35.940 1.00 43.91 N +ATOM 557 CE2 TRP E 147 -6.420 64.864 -35.557 1.00 49.25 C +ATOM 558 CE3 TRP E 147 -4.864 64.685 -33.710 1.00 50.99 C +ATOM 559 CZ2 TRP E 147 -5.629 65.831 -36.192 1.00 54.48 C +ATOM 560 CZ3 TRP E 147 -4.077 65.647 -34.339 1.00 55.60 C +ATOM 561 CH2 TRP E 147 -4.466 66.211 -35.567 1.00 55.71 C +ATOM 562 N PHE E 148 -6.883 59.722 -31.145 1.00 26.07 N +ATOM 563 CA PHE E 148 -6.790 59.081 -29.828 1.00 24.33 C +ATOM 564 C PHE E 148 -6.873 57.556 -29.948 1.00 24.77 C +ATOM 565 O PHE E 148 -7.756 56.923 -29.361 1.00 24.80 O +ATOM 566 CB PHE E 148 -7.843 59.665 -28.855 1.00 24.23 C +ATOM 567 CG PHE E 148 -8.027 61.172 -28.985 1.00 26.43 C +ATOM 568 CD1 PHE E 148 -7.044 62.056 -28.543 1.00 27.50 C +ATOM 569 CD2 PHE E 148 -9.179 61.698 -29.560 1.00 26.78 C +ATOM 570 CE1 PHE E 148 -7.194 63.440 -28.682 1.00 29.06 C +ATOM 571 CE2 PHE E 148 -9.347 63.084 -29.694 1.00 27.90 C +ATOM 572 CZ PHE E 148 -8.348 63.955 -29.264 1.00 27.17 C +ATOM 573 N PRO E 149 -5.923 56.956 -30.676 1.00 23.94 N +ATOM 574 CA PRO E 149 -5.999 55.531 -31.018 1.00 20.75 C +ATOM 575 C PRO E 149 -5.994 54.605 -29.807 1.00 20.80 C +ATOM 576 O PRO E 149 -6.449 53.477 -29.921 1.00 23.34 O +ATOM 577 CB PRO E 149 -4.727 55.301 -31.866 1.00 23.19 C +ATOM 578 CG PRO E 149 -3.787 56.381 -31.459 1.00 23.28 C +ATOM 579 CD PRO E 149 -4.684 57.579 -31.202 1.00 25.71 C +ATOM 580 N SER E 150 -5.494 55.071 -28.671 1.00 22.44 N +ATOM 581 CA SER E 150 -5.417 54.226 -27.488 1.00 28.91 C +ATOM 582 C SER E 150 -6.668 54.321 -26.611 1.00 28.87 C +ATOM 583 O SER E 150 -6.732 53.695 -25.556 1.00 26.38 O +ATOM 584 CB SER E 150 -4.160 54.551 -26.677 1.00 35.66 C +ATOM 585 OG SER E 150 -4.308 55.783 -25.999 1.00 39.17 O +ATOM 586 N CYS E 151 -7.666 55.087 -27.050 1.00 27.03 N +ATOM 587 CA CYS E 151 -8.918 55.189 -26.309 1.00 23.76 C +ATOM 588 C CYS E 151 -9.574 53.826 -26.277 1.00 21.73 C +ATOM 589 O CYS E 151 -9.826 53.224 -27.328 1.00 22.86 O +ATOM 590 CB CYS E 151 -9.870 56.198 -26.967 1.00 22.52 C +ATOM 591 SG CYS E 151 -11.505 56.172 -26.220 1.00 19.69 S +ATOM 592 N GLN E 152 -9.847 53.337 -25.073 1.00 22.24 N +ATOM 593 CA GLN E 152 -10.349 51.985 -24.914 1.00 25.75 C +ATOM 594 C GLN E 152 -11.796 51.883 -25.341 1.00 26.54 C +ATOM 595 O GLN E 152 -12.240 50.832 -25.785 1.00 25.84 O +ATOM 596 CB GLN E 152 -10.199 51.505 -23.475 1.00 32.90 C +ATOM 597 CG GLN E 152 -8.777 51.163 -23.089 1.00 45.77 C +ATOM 598 CD GLN E 152 -8.622 50.987 -21.588 1.00 55.59 C +ATOM 599 OE1 GLN E 152 -9.287 50.138 -20.983 1.00 59.51 O +ATOM 600 NE2 GLN E 152 -7.759 51.797 -20.981 1.00 57.51 N +ATOM 601 N PHE E 153 -12.539 52.975 -25.209 1.00 21.38 N +ATOM 602 CA PHE E 153 -13.909 52.947 -25.673 1.00 22.67 C +ATOM 603 C PHE E 153 -13.901 52.779 -27.188 1.00 16.18 C +ATOM 604 O PHE E 153 -14.654 52.002 -27.729 1.00 19.92 O +ATOM 605 CB PHE E 153 -14.655 54.224 -25.271 1.00 18.64 C +ATOM 606 CG PHE E 153 -15.987 54.350 -25.913 1.00 17.07 C +ATOM 607 CD1 PHE E 153 -17.064 53.592 -25.453 1.00 19.70 C +ATOM 608 CD2 PHE E 153 -16.163 55.191 -27.000 1.00 15.56 C +ATOM 609 CE1 PHE E 153 -18.313 53.693 -26.050 1.00 21.08 C +ATOM 610 CE2 PHE E 153 -17.409 55.309 -27.608 1.00 17.40 C +ATOM 611 CZ PHE E 153 -18.485 54.568 -27.138 1.00 19.75 C +ATOM 612 N LEU E 154 -13.033 53.523 -27.860 1.00 17.31 N +ATOM 613 CA LEU E 154 -12.853 53.367 -29.294 1.00 19.55 C +ATOM 614 C LEU E 154 -12.403 51.937 -29.639 1.00 23.46 C +ATOM 615 O LEU E 154 -12.925 51.315 -30.578 1.00 21.53 O +ATOM 616 CB LEU E 154 -11.825 54.383 -29.793 1.00 16.58 C +ATOM 617 CG LEU E 154 -11.158 54.072 -31.140 1.00 20.07 C +ATOM 618 CD1 LEU E 154 -12.115 54.282 -32.310 1.00 19.23 C +ATOM 619 CD2 LEU E 154 -9.929 54.933 -31.296 1.00 20.14 C +ATOM 620 N LEU E 155 -11.450 51.414 -28.868 1.00 23.64 N +ATOM 621 CA LEU E 155 -10.922 50.089 -29.163 1.00 25.30 C +ATOM 622 C LEU E 155 -11.972 49.020 -28.981 1.00 24.49 C +ATOM 623 O LEU E 155 -12.092 48.144 -29.823 1.00 26.29 O +ATOM 624 CB LEU E 155 -9.669 49.779 -28.357 1.00 24.44 C +ATOM 625 CG LEU E 155 -8.431 50.519 -28.880 1.00 24.86 C +ATOM 626 CD1 LEU E 155 -7.404 50.643 -27.755 1.00 23.87 C +ATOM 627 CD2 LEU E 155 -7.823 49.819 -30.108 1.00 23.47 C +ATOM 628 N ARG E 156 -12.765 49.128 -27.920 1.00 25.27 N +ATOM 629 CA ARG E 156 -13.827 48.177 -27.677 1.00 30.12 C +ATOM 630 C ARG E 156 -14.905 48.297 -28.735 1.00 27.37 C +ATOM 631 O ARG E 156 -15.475 47.304 -29.145 1.00 26.42 O +ATOM 632 CB ARG E 156 -14.440 48.385 -26.297 1.00 39.02 C +ATOM 633 CG ARG E 156 -13.614 47.807 -25.147 1.00 54.45 C +ATOM 634 CD ARG E 156 -14.341 47.780 -23.792 1.00 64.66 C +ATOM 635 NE ARG E 156 -15.514 46.896 -23.798 1.00 73.18 N +ATOM 636 CZ ARG E 156 -16.285 46.636 -22.739 1.00 77.14 C +ATOM 637 NH1 ARG E 156 -16.026 47.190 -21.558 1.00 76.66 N +ATOM 638 NH2 ARG E 156 -17.323 45.814 -22.864 1.00 78.01 N +ATOM 639 N SER E 157 -15.196 49.525 -29.159 1.00 22.35 N +ATOM 640 CA SER E 157 -16.326 49.751 -30.048 1.00 22.60 C +ATOM 641 C SER E 157 -15.979 49.391 -31.471 1.00 18.29 C +ATOM 642 O SER E 157 -16.791 48.799 -32.176 1.00 25.68 O +ATOM 643 CB SER E 157 -16.774 51.209 -29.983 1.00 19.06 C +ATOM 644 OG SER E 157 -17.022 51.573 -28.636 1.00 21.26 O +ATOM 645 N LYS E 158 -14.767 49.741 -31.881 1.00 20.32 N +ATOM 646 CA LYS E 158 -14.384 49.617 -33.282 1.00 24.84 C +ATOM 647 C LYS E 158 -13.382 48.508 -33.545 1.00 26.57 C +ATOM 648 O LYS E 158 -13.194 48.122 -34.694 1.00 25.71 O +ATOM 649 CB LYS E 158 -13.845 50.941 -33.806 1.00 23.07 C +ATOM 650 CG LYS E 158 -14.911 52.031 -33.900 1.00 25.32 C +ATOM 651 CD LYS E 158 -16.020 51.666 -34.882 1.00 25.64 C +ATOM 652 CE LYS E 158 -15.586 51.938 -36.323 1.00 21.99 C +ATOM 653 NZ LYS E 158 -16.616 51.419 -37.231 1.00 27.43 N +ATOM 654 N GLY E 159 -12.752 48.003 -32.484 1.00 24.88 N +ATOM 655 CA GLY E 159 -11.763 46.943 -32.613 1.00 28.44 C +ATOM 656 C GLY E 159 -10.376 47.445 -32.974 1.00 29.27 C +ATOM 657 O GLY E 159 -10.204 48.515 -33.563 1.00 28.16 O +ATOM 658 N ARG E 160 -9.380 46.645 -32.612 1.00 31.85 N +ATOM 659 CA ARG E 160 -7.983 46.900 -32.931 1.00 32.12 C +ATOM 660 C ARG E 160 -7.721 47.116 -34.419 1.00 28.72 C +ATOM 661 O ARG E 160 -6.937 47.977 -34.782 1.00 27.89 O +ATOM 662 CB ARG E 160 -7.137 45.712 -32.475 1.00 40.45 C +ATOM 663 CG ARG E 160 -6.574 45.823 -31.081 1.00 51.51 C +ATOM 664 CD ARG E 160 -5.391 44.899 -30.845 1.00 61.06 C +ATOM 665 NE ARG E 160 -5.603 44.013 -29.705 1.00 68.00 N +ATOM 666 CZ ARG E 160 -6.072 42.771 -29.782 1.00 71.01 C +ATOM 667 NH1 ARG E 160 -6.398 42.230 -30.955 1.00 69.49 N +ATOM 668 NH2 ARG E 160 -6.220 42.067 -28.670 1.00 72.00 N +ATOM 669 N ASP E 161 -8.355 46.323 -35.276 1.00 25.90 N +ATOM 670 CA ASP E 161 -8.031 46.354 -36.704 1.00 29.94 C +ATOM 671 C ASP E 161 -8.370 47.699 -37.315 1.00 31.98 C +ATOM 672 O ASP E 161 -7.532 48.307 -37.995 1.00 29.83 O +ATOM 673 CB ASP E 161 -8.742 45.227 -37.447 1.00 32.70 C +ATOM 674 CG ASP E 161 -8.233 43.849 -37.045 1.00 33.78 C +ATOM 675 OD1 ASP E 161 -7.278 43.755 -36.246 1.00 36.33 O +ATOM 676 OD2 ASP E 161 -8.745 42.802 -37.469 1.00 33.90 O +ATOM 677 N PHE E 162 -9.589 48.172 -37.030 1.00 32.81 N +ATOM 678 CA PHE E 162 -10.028 49.501 -37.445 1.00 27.49 C +ATOM 679 C PHE E 162 -9.018 50.557 -37.036 1.00 24.54 C +ATOM 680 O PHE E 162 -8.589 51.367 -37.853 1.00 28.77 O +ATOM 681 CB PHE E 162 -11.405 49.841 -36.855 1.00 30.91 C +ATOM 682 CG PHE E 162 -11.878 51.225 -37.205 1.00 31.88 C +ATOM 683 CD1 PHE E 162 -12.455 51.481 -38.452 1.00 29.49 C +ATOM 684 CD2 PHE E 162 -11.709 52.280 -36.309 1.00 30.42 C +ATOM 685 CE1 PHE E 162 -12.872 52.765 -38.794 1.00 30.55 C +ATOM 686 CE2 PHE E 162 -12.127 53.577 -36.639 1.00 29.10 C +ATOM 687 CZ PHE E 162 -12.707 53.817 -37.885 1.00 30.27 C +ATOM 688 N VAL E 163 -8.624 50.541 -35.767 1.00 27.27 N +ATOM 689 CA VAL E 163 -7.734 51.566 -35.241 1.00 26.52 C +ATOM 690 C VAL E 163 -6.359 51.453 -35.889 1.00 29.78 C +ATOM 691 O VAL E 163 -5.799 52.455 -36.337 1.00 29.59 O +ATOM 692 CB VAL E 163 -7.616 51.497 -33.713 1.00 23.84 C +ATOM 693 CG1 VAL E 163 -6.589 52.475 -33.235 1.00 20.69 C +ATOM 694 CG2 VAL E 163 -8.977 51.795 -33.054 1.00 22.64 C +ATOM 695 N HIS E 164 -5.827 50.233 -35.941 1.00 31.93 N +ATOM 696 CA HIS E 164 -4.568 49.971 -36.632 1.00 37.55 C +ATOM 697 C HIS E 164 -4.632 50.507 -38.057 1.00 36.34 C +ATOM 698 O HIS E 164 -3.738 51.226 -38.496 1.00 38.37 O +ATOM 699 CB HIS E 164 -4.270 48.473 -36.655 1.00 41.28 C +ATOM 700 CG HIS E 164 -2.851 48.149 -37.005 1.00 52.36 C +ATOM 701 ND1 HIS E 164 -2.414 48.029 -38.307 1.00 55.22 N +ATOM 702 CD2 HIS E 164 -1.769 47.920 -36.222 1.00 56.28 C +ATOM 703 CE1 HIS E 164 -1.125 47.742 -38.312 1.00 57.81 C +ATOM 704 NE2 HIS E 164 -0.710 47.669 -37.060 1.00 59.28 N +ATOM 705 N SER E 165 -5.714 50.167 -38.754 1.00 32.34 N +ATOM 706 CA SER E 165 -5.912 50.562 -40.134 1.00 37.21 C +ATOM 707 C SER E 165 -5.887 52.087 -40.310 1.00 38.93 C +ATOM 708 O SER E 165 -5.219 52.599 -41.205 1.00 39.50 O +ATOM 709 CB SER E 165 -7.216 49.954 -40.664 1.00 40.59 C +ATOM 710 OG SER E 165 -7.626 50.578 -41.866 1.00 50.47 O +ATOM 711 N VAL E 166 -6.612 52.801 -39.452 1.00 36.29 N +ATOM 712 CA VAL E 166 -6.644 54.258 -39.494 1.00 31.36 C +ATOM 713 C VAL E 166 -5.271 54.819 -39.138 1.00 34.11 C +ATOM 714 O VAL E 166 -4.812 55.764 -39.762 1.00 33.25 O +ATOM 715 CB VAL E 166 -7.715 54.832 -38.532 1.00 31.03 C +ATOM 716 CG1 VAL E 166 -7.556 56.349 -38.352 1.00 25.23 C +ATOM 717 CG2 VAL E 166 -9.127 54.471 -39.014 1.00 26.27 C +ATOM 718 N GLN E 167 -4.616 54.228 -38.142 1.00 38.21 N +ATOM 719 CA GLN E 167 -3.289 54.680 -37.728 1.00 46.64 C +ATOM 720 C GLN E 167 -2.231 54.483 -38.816 1.00 52.54 C +ATOM 721 O GLN E 167 -1.192 55.147 -38.802 1.00 51.79 O +ATOM 722 CB GLN E 167 -2.854 53.980 -36.440 1.00 45.18 C +ATOM 723 CG GLN E 167 -3.303 54.677 -35.169 1.00 46.26 C +ATOM 724 CD GLN E 167 -2.893 56.137 -35.121 1.00 48.35 C +ATOM 725 OE1 GLN E 167 -1.706 56.458 -35.205 1.00 52.35 O +ATOM 726 NE2 GLN E 167 -3.871 57.025 -34.985 1.00 45.24 N +ATOM 727 N GLU E 168 -2.509 53.575 -39.751 1.00 60.22 N +ATOM 728 CA GLU E 168 -1.590 53.265 -40.844 1.00 69.48 C +ATOM 729 C GLU E 168 -1.544 54.371 -41.898 1.00 72.99 C +ATOM 730 O GLU E 168 -0.465 54.859 -42.239 1.00 72.56 O +ATOM 731 CB GLU E 168 -1.951 51.930 -41.493 1.00 71.99 C +ATOM 732 CG GLU E 168 -0.807 50.934 -41.525 1.00 78.95 C +ATOM 733 CD GLU E 168 -1.200 49.615 -42.169 1.00 83.77 C +ATOM 734 OE1 GLU E 168 -2.396 49.240 -42.103 1.00 84.67 O +ATOM 735 OE2 GLU E 168 -0.306 48.951 -42.741 1.00 85.02 O +ATOM 736 N THR E 169 -2.715 54.767 -42.404 1.00 77.54 N +ATOM 737 CA THR E 169 -2.806 55.839 -43.398 1.00 82.43 C +ATOM 738 C THR E 169 -2.580 57.211 -42.757 1.00 88.29 C +ATOM 739 O THR E 169 -3.112 58.222 -43.223 1.00 89.29 O +ATOM 740 CB THR E 169 -4.147 55.788 -44.171 1.00 81.24 C +ATOM 741 OG1 THR E 169 -5.091 54.974 -43.467 1.00 79.61 O +ATOM 742 CG2 THR E 169 -3.970 55.052 -45.495 1.00 81.97 C +ATOM 743 N HIS E 170 -1.780 57.212 -41.687 1.00 94.22 N +ATOM 744 CA HIS E 170 -1.365 58.398 -40.926 1.00 99.97 C +ATOM 745 C HIS E 170 -2.481 59.150 -40.185 1.00102.08 C +ATOM 746 O HIS E 170 -3.617 59.242 -40.659 1.00103.01 O +ATOM 747 CB HIS E 170 -0.514 59.344 -41.785 1.00102.85 C +ATOM 748 CG HIS E 170 0.912 58.908 -41.922 1.00105.43 C +ATOM 749 ND1 HIS E 170 1.389 58.261 -43.042 1.00106.23 N +ATOM 750 CD2 HIS E 170 1.962 59.016 -41.073 1.00106.29 C +ATOM 751 CE1 HIS E 170 2.674 57.996 -42.880 1.00106.81 C +ATOM 752 NE2 HIS E 170 3.046 58.443 -41.694 1.00107.07 N +ATOM 753 N SER E 171 -2.130 59.681 -39.015 1.00103.22 N +ATOM 754 CA SER E 171 -3.080 60.333 -38.114 1.00104.32 C +ATOM 755 C SER E 171 -3.351 61.801 -38.467 1.00104.73 C +ATOM 756 O SER E 171 -3.499 62.681 -37.612 1.00103.53 O +ATOM 757 CB SER E 171 -2.589 60.212 -36.668 1.00105.25 C +ATOM 758 OG SER E 171 -1.216 60.546 -36.560 1.00106.16 O +ATOM 760 N ALA F 1 -11.596 66.935 -38.755 1.00 42.78 N +ATOM 761 CA ALA F 1 -11.431 67.354 -37.343 1.00 42.24 C +ATOM 762 C ALA F 1 -9.960 67.537 -37.032 1.00 45.21 C +ATOM 763 O ALA F 1 -9.107 66.932 -37.683 1.00 45.22 O +ATOM 764 CB ALA F 1 -12.035 66.325 -36.409 1.00 40.09 C +ATOM 765 N GLU F 2 -9.673 68.377 -36.041 1.00 44.23 N +ATOM 766 CA GLU F 2 -8.321 68.528 -35.518 1.00 52.54 C +ATOM 767 C GLU F 2 -8.323 68.582 -33.989 1.00 53.63 C +ATOM 768 O GLU F 2 -9.297 69.038 -33.374 1.00 45.91 O +ATOM 769 CB GLU F 2 -7.631 69.764 -36.100 1.00 59.29 C +ATOM 770 CG GLU F 2 -8.515 70.990 -36.223 1.00 68.31 C +ATOM 771 CD GLU F 2 -7.877 72.228 -35.627 1.00 74.94 C +ATOM 772 OE1 GLU F 2 -7.930 72.387 -34.384 1.00 77.70 O +ATOM 773 OE2 GLU F 2 -7.320 73.039 -36.406 1.00 77.31 O +ATOM 774 N ALA F 3 -7.234 68.105 -33.389 1.00 57.59 N +ATOM 775 CA ALA F 3 -7.070 68.120 -31.937 1.00 61.34 C +ATOM 776 C ALA F 3 -7.004 69.552 -31.428 1.00 63.72 C +ATOM 777 O ALA F 3 -6.621 70.460 -32.166 1.00 65.69 O +ATOM 778 CB ALA F 3 -5.823 67.352 -31.538 1.00 61.11 C +ATOM 779 N VAL F 4 -7.404 69.760 -30.179 1.00 69.00 N +ATOM 780 CA VAL F 4 -7.310 71.083 -29.566 1.00 74.07 C +ATOM 781 C VAL F 4 -5.947 71.259 -28.883 1.00 77.88 C +ATOM 782 O VAL F 4 -5.398 70.325 -28.293 1.00 81.03 O +ATOM 783 CB VAL F 4 -8.501 71.378 -28.598 1.00 74.22 C +ATOM 784 CG1 VAL F 4 -8.500 70.438 -27.399 1.00 74.72 C +ATOM 785 CG2 VAL F 4 -8.504 72.844 -28.150 1.00 73.71 C Added: SwiftApps/modFTdock/input/indata/1oxn-9.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1oxn-9.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1oxn-9.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,798 @@ +ATOM 1 N ALA D 71 6.758 76.848 18.010 1.00 85.14 N +ATOM 2 CA ALA D 71 6.754 75.652 17.113 1.00 86.00 C +ATOM 3 C ALA D 71 6.484 74.360 17.890 1.00 84.57 C +ATOM 4 O ALA D 71 7.313 73.917 18.696 1.00 85.52 O +ATOM 5 CB ALA D 71 8.071 75.559 16.334 1.00 86.56 C +ATOM 6 N GLY D 72 5.317 73.766 17.643 1.00 80.86 N +ATOM 7 CA GLY D 72 4.902 72.562 18.344 1.00 76.61 C +ATOM 8 C GLY D 72 3.505 72.073 18.002 1.00 71.57 C +ATOM 9 O GLY D 72 3.178 70.905 18.250 1.00 71.23 O +ATOM 10 N ALA D 73 2.676 72.958 17.446 1.00 65.91 N +ATOM 11 CA ALA D 73 1.325 72.579 17.029 1.00 59.72 C +ATOM 12 C ALA D 73 1.412 71.621 15.856 1.00 55.06 C +ATOM 13 O ALA D 73 2.145 71.862 14.898 1.00 52.21 O +ATOM 14 CB ALA D 73 0.502 73.796 16.666 1.00 59.82 C +ATOM 15 N THR D 74 0.687 70.515 15.956 1.00 52.69 N +ATOM 16 CA THR D 74 0.738 69.483 14.936 1.00 52.11 C +ATOM 17 C THR D 74 -0.475 69.562 14.017 1.00 49.27 C +ATOM 18 O THR D 74 -1.535 70.064 14.401 1.00 48.62 O +ATOM 19 CB THR D 74 0.853 68.067 15.562 1.00 54.83 C +ATOM 20 OG1 THR D 74 -0.343 67.751 16.286 1.00 56.88 O +ATOM 21 CG2 THR D 74 1.944 68.022 16.636 1.00 58.75 C +ATOM 22 N LEU D 75 -0.287 69.068 12.798 1.00 44.80 N +ATOM 23 CA LEU D 75 -1.352 68.904 11.832 1.00 41.07 C +ATOM 24 C LEU D 75 -2.310 67.819 12.302 1.00 38.67 C +ATOM 25 O LEU D 75 -1.880 66.735 12.704 1.00 36.29 O +ATOM 26 CB LEU D 75 -0.746 68.490 10.501 1.00 43.48 C +ATOM 27 CG LEU D 75 -1.233 69.126 9.205 1.00 44.90 C +ATOM 28 CD1 LEU D 75 -1.404 70.623 9.309 1.00 42.87 C +ATOM 29 CD2 LEU D 75 -0.246 68.768 8.117 1.00 46.17 C +ATOM 30 N SER D 76 -3.608 68.109 12.263 1.00 35.79 N +ATOM 31 CA SER D 76 -4.606 67.094 12.581 1.00 35.11 C +ATOM 32 C SER D 76 -4.610 66.008 11.512 1.00 30.58 C +ATOM 33 O SER D 76 -4.456 66.302 10.324 1.00 29.10 O +ATOM 34 CB SER D 76 -5.988 67.718 12.744 1.00 40.07 C +ATOM 35 OG SER D 76 -6.002 68.582 13.867 1.00 43.64 O +ATOM 36 N ARG D 77 -4.785 64.762 11.943 1.00 28.91 N +ATOM 37 CA ARG D 77 -4.665 63.607 11.061 1.00 37.02 C +ATOM 38 C ARG D 77 -5.998 63.169 10.443 1.00 37.59 C +ATOM 39 O ARG D 77 -6.033 62.265 9.602 1.00 36.56 O +ATOM 40 CB ARG D 77 -3.981 62.443 11.796 1.00 45.54 C +ATOM 41 CG ARG D 77 -2.536 62.757 12.234 1.00 52.35 C +ATOM 42 CD ARG D 77 -1.752 61.565 12.751 1.00 60.32 C +ATOM 43 NE ARG D 77 -1.098 60.829 11.668 1.00 66.05 N +ATOM 44 CZ ARG D 77 -1.553 59.692 11.141 1.00 68.87 C +ATOM 45 NH1 ARG D 77 -2.677 59.137 11.588 1.00 69.15 N +ATOM 46 NH2 ARG D 77 -0.879 59.105 10.159 1.00 68.52 N +ATOM 47 N GLY D 78 -7.085 63.817 10.846 1.00 37.32 N +ATOM 48 CA GLY D 78 -8.400 63.463 10.341 1.00 37.09 C +ATOM 49 C GLY D 78 -8.670 64.074 8.977 1.00 32.07 C +ATOM 50 O GLY D 78 -8.502 65.282 8.803 1.00 33.26 O +ATOM 51 N PRO D 79 -9.092 63.263 8.006 1.00 29.73 N +ATOM 52 CA PRO D 79 -9.513 63.818 6.713 1.00 28.44 C +ATOM 53 C PRO D 79 -10.699 64.742 6.967 1.00 25.96 C +ATOM 54 O PRO D 79 -11.506 64.458 7.850 1.00 26.50 O +ATOM 55 CB PRO D 79 -9.940 62.592 5.902 1.00 27.82 C +ATOM 56 CG PRO D 79 -9.398 61.399 6.621 1.00 31.07 C +ATOM 57 CD PRO D 79 -9.235 61.797 8.067 1.00 32.92 C +ATOM 58 N ALA D 80 -10.760 65.859 6.254 1.00 25.78 N +ATOM 59 CA ALA D 80 -11.893 66.767 6.328 1.00 26.21 C +ATOM 60 C ALA D 80 -13.210 66.057 6.009 1.00 28.21 C +ATOM 61 O ALA D 80 -14.237 66.338 6.625 1.00 28.17 O +ATOM 62 CB ALA D 80 -11.689 67.920 5.380 1.00 26.51 C +ATOM 63 N PHE D 81 -13.161 65.141 5.043 1.00 26.85 N +ATOM 64 CA PHE D 81 -14.343 64.489 4.511 1.00 23.99 C +ATOM 65 C PHE D 81 -14.012 63.002 4.381 1.00 20.26 C +ATOM 66 O PHE D 81 -13.696 62.516 3.301 1.00 21.72 O +ATOM 67 CB PHE D 81 -14.725 65.134 3.162 1.00 24.11 C +ATOM 68 CG PHE D 81 -16.119 64.794 2.669 1.00 28.14 C +ATOM 69 CD1 PHE D 81 -16.810 63.678 3.138 1.00 26.52 C +ATOM 70 CD2 PHE D 81 -16.735 65.598 1.703 1.00 25.80 C +ATOM 71 CE1 PHE D 81 -18.096 63.380 2.671 1.00 28.11 C +ATOM 72 CE2 PHE D 81 -18.023 65.308 1.238 1.00 27.86 C +ATOM 73 CZ PHE D 81 -18.701 64.192 1.722 1.00 28.83 C +ATOM 74 N PRO D 82 -14.089 62.285 5.496 1.00 20.98 N +ATOM 75 CA PRO D 82 -13.698 60.882 5.540 1.00 21.20 C +ATOM 76 C PRO D 82 -14.382 60.023 4.484 1.00 22.52 C +ATOM 77 O PRO D 82 -13.720 59.145 3.929 1.00 23.08 O +ATOM 78 CB PRO D 82 -14.101 60.452 6.958 1.00 23.75 C +ATOM 79 CG PRO D 82 -14.040 61.690 7.747 1.00 21.76 C +ATOM 80 CD PRO D 82 -14.529 62.774 6.818 1.00 24.49 C +ATOM 81 N GLY D 83 -15.658 60.268 4.193 1.00 21.25 N +ATOM 82 CA GLY D 83 -16.386 59.417 3.261 1.00 19.45 C +ATOM 83 C GLY D 83 -15.855 59.507 1.851 1.00 22.48 C +ATOM 84 O GLY D 83 -15.971 58.572 1.061 1.00 22.52 O +ATOM 85 N MET D 84 -15.252 60.648 1.540 1.00 19.67 N +ATOM 86 CA MET D 84 -14.657 60.858 0.232 1.00 22.38 C +ATOM 87 C MET D 84 -13.224 60.313 0.143 1.00 25.97 C +ATOM 88 O MET D 84 -12.510 60.595 -0.805 1.00 25.78 O +ATOM 89 CB MET D 84 -14.751 62.337 -0.157 1.00 24.16 C +ATOM 90 CG MET D 84 -16.123 62.722 -0.715 1.00 20.12 C +ATOM 91 SD MET D 84 -16.587 61.632 -2.079 1.00 22.16 S +ATOM 92 CE MET D 84 -18.105 62.468 -2.630 1.00 20.99 C +ATOM 93 N GLY D 85 -12.822 59.522 1.138 1.00 27.88 N +ATOM 94 CA GLY D 85 -11.559 58.802 1.102 1.00 23.88 C +ATOM 95 C GLY D 85 -11.602 57.720 0.051 1.00 26.44 C +ATOM 96 O GLY D 85 -10.562 57.248 -0.419 1.00 23.48 O +ATOM 97 N SER D 86 -12.819 57.322 -0.317 1.00 21.94 N +ATOM 98 CA SER D 86 -13.023 56.387 -1.410 1.00 25.14 C +ATOM 99 C SER D 86 -12.878 57.119 -2.738 1.00 26.45 C +ATOM 100 O SER D 86 -13.617 58.064 -3.017 1.00 28.96 O +ATOM 101 CB SER D 86 -14.416 55.756 -1.312 1.00 29.24 C +ATOM 102 OG SER D 86 -14.739 55.049 -2.496 1.00 33.39 O +ATOM 103 N GLU D 87 -11.923 56.681 -3.552 1.00 26.97 N +ATOM 104 CA GLU D 87 -11.775 57.203 -4.905 1.00 26.79 C +ATOM 105 C GLU D 87 -13.047 56.960 -5.711 1.00 24.57 C +ATOM 106 O GLU D 87 -13.472 57.819 -6.481 1.00 23.69 O +ATOM 107 CB GLU D 87 -10.588 56.554 -5.610 1.00 28.33 C +ATOM 108 CG GLU D 87 -10.299 57.133 -6.987 1.00 34.02 C +ATOM 109 CD GLU D 87 -8.962 56.692 -7.549 1.00 39.62 C +ATOM 110 OE1 GLU D 87 -8.145 56.108 -6.806 1.00 47.26 O +ATOM 111 OE2 GLU D 87 -8.719 56.940 -8.742 1.00 41.15 O +ATOM 112 N GLU D 88 -13.651 55.791 -5.516 1.00 26.68 N +ATOM 113 CA GLU D 88 -14.899 55.441 -6.184 1.00 29.86 C +ATOM 114 C GLU D 88 -15.971 56.489 -5.924 1.00 24.59 C +ATOM 115 O GLU D 88 -16.640 56.945 -6.847 1.00 27.36 O +ATOM 116 CB GLU D 88 -15.374 54.055 -5.749 1.00 37.04 C +ATOM 117 CG GLU D 88 -15.692 53.136 -6.916 1.00 52.70 C +ATOM 118 CD GLU D 88 -15.702 51.665 -6.528 1.00 60.74 C +ATOM 119 OE1 GLU D 88 -16.713 51.213 -5.942 1.00 62.65 O +ATOM 120 OE2 GLU D 88 -14.702 50.964 -6.815 1.00 61.69 O +ATOM 121 N LEU D 89 -16.106 56.888 -4.665 1.00 25.96 N +ATOM 122 CA LEU D 89 -17.089 57.887 -4.283 1.00 22.06 C +ATOM 123 C LEU D 89 -16.714 59.274 -4.796 1.00 27.46 C +ATOM 124 O LEU D 89 -17.580 60.026 -5.238 1.00 30.72 O +ATOM 125 CB LEU D 89 -17.319 57.886 -2.766 1.00 21.20 C +ATOM 126 CG LEU D 89 -17.960 56.611 -2.193 1.00 29.85 C +ATOM 127 CD1 LEU D 89 -18.057 56.702 -0.678 1.00 28.34 C +ATOM 128 CD2 LEU D 89 -19.343 56.309 -2.824 1.00 28.98 C +ATOM 129 N ARG D 90 -15.425 59.600 -4.768 1.00 25.70 N +ATOM 130 CA ARG D 90 -14.963 60.866 -5.339 1.00 22.35 C +ATOM 131 C ARG D 90 -15.313 60.954 -6.820 1.00 21.60 C +ATOM 132 O ARG D 90 -15.857 61.965 -7.264 1.00 21.81 O +ATOM 133 CB ARG D 90 -13.462 61.054 -5.131 1.00 21.48 C +ATOM 134 CG ARG D 90 -13.064 61.216 -3.673 1.00 14.26 C +ATOM 135 CD ARG D 90 -11.674 61.818 -3.477 1.00 20.80 C +ATOM 136 NE ARG D 90 -10.622 61.027 -4.115 1.00 16.40 N +ATOM 137 CZ ARG D 90 -10.014 59.987 -3.537 1.00 17.26 C +ATOM 138 NH1 ARG D 90 -10.362 59.601 -2.322 1.00 16.89 N +ATOM 139 NH2 ARG D 90 -9.071 59.317 -4.175 1.00 16.83 N +ATOM 140 N LEU D 91 -15.031 59.885 -7.566 1.00 20.85 N +ATOM 141 CA LEU D 91 -15.314 59.842 -8.994 1.00 24.99 C +ATOM 142 C LEU D 91 -16.805 60.011 -9.268 1.00 23.63 C +ATOM 143 O LEU D 91 -17.187 60.751 -10.159 1.00 26.82 O +ATOM 144 CB LEU D 91 -14.859 58.516 -9.601 1.00 25.84 C +ATOM 145 CG LEU D 91 -14.171 58.520 -10.972 1.00 29.15 C +ATOM 146 CD1 LEU D 91 -14.427 57.238 -11.732 1.00 31.54 C +ATOM 147 CD2 LEU D 91 -14.457 59.745 -11.822 1.00 25.09 C +ATOM 148 N ALA D 92 -17.623 59.298 -8.503 1.00 23.42 N +ATOM 149 CA ALA D 92 -19.076 59.366 -8.615 1.00 23.57 C +ATOM 150 C ALA D 92 -19.572 60.789 -8.425 1.00 24.07 C +ATOM 151 O ALA D 92 -20.557 61.182 -9.033 1.00 30.68 O +ATOM 152 CB ALA D 92 -19.729 58.438 -7.597 1.00 21.01 C +ATOM 153 N SER D 93 -18.878 61.566 -7.595 1.00 20.64 N +ATOM 154 CA SER D 93 -19.260 62.957 -7.367 1.00 19.31 C +ATOM 155 C SER D 93 -19.184 63.804 -8.636 1.00 18.16 C +ATOM 156 O SER D 93 -19.756 64.874 -8.673 1.00 20.37 O +ATOM 157 CB SER D 93 -18.401 63.594 -6.268 1.00 25.07 C +ATOM 158 OG SER D 93 -17.084 63.843 -6.741 1.00 23.85 O +ATOM 159 N PHE D 94 -18.480 63.326 -9.664 1.00 16.84 N +ATOM 160 CA PHE D 94 -18.267 64.120 -10.874 1.00 22.69 C +ATOM 161 C PHE D 94 -19.314 63.868 -11.968 1.00 22.96 C +ATOM 162 O PHE D 94 -19.138 64.309 -13.103 1.00 23.28 O +ATOM 163 CB PHE D 94 -16.868 63.868 -11.449 1.00 20.31 C +ATOM 164 CG PHE D 94 -15.746 64.477 -10.649 1.00 21.40 C +ATOM 165 CD1 PHE D 94 -15.149 63.770 -9.607 1.00 20.68 C +ATOM 166 CD2 PHE D 94 -15.244 65.728 -10.976 1.00 22.29 C +ATOM 167 CE1 PHE D 94 -14.081 64.324 -8.878 1.00 21.47 C +ATOM 168 CE2 PHE D 94 -14.184 66.283 -10.261 1.00 21.36 C +ATOM 169 CZ PHE D 94 -13.613 65.575 -9.195 1.00 20.62 C +ATOM 170 N TYR D 95 -20.405 63.188 -11.627 1.00 23.83 N +ATOM 171 CA TYR D 95 -21.434 62.845 -12.606 1.00 26.09 C +ATOM 172 C TYR D 95 -21.897 64.082 -13.368 1.00 26.08 C +ATOM 173 O TYR D 95 -22.181 64.022 -14.571 1.00 23.24 O +ATOM 174 CB TYR D 95 -22.618 62.128 -11.937 1.00 32.66 C +ATOM 175 CG TYR D 95 -23.473 63.000 -11.038 1.00 43.59 C +ATOM 176 CD1 TYR D 95 -23.090 63.276 -9.718 1.00 47.86 C +ATOM 177 CD2 TYR D 95 -24.675 63.543 -11.501 1.00 49.60 C +ATOM 178 CE1 TYR D 95 -23.883 64.076 -8.888 1.00 50.69 C +ATOM 179 CE2 TYR D 95 -25.475 64.344 -10.677 1.00 51.07 C +ATOM 180 CZ TYR D 95 -25.074 64.605 -9.375 1.00 53.68 C +ATOM 181 OH TYR D 95 -25.865 65.398 -8.566 1.00 56.18 O +ATOM 182 N ASP D 96 -21.930 65.200 -12.651 1.00 21.76 N +ATOM 183 CA ASP D 96 -22.408 66.478 -13.159 1.00 26.15 C +ATOM 184 C ASP D 96 -21.269 67.419 -13.498 1.00 24.39 C +ATOM 185 O ASP D 96 -21.449 68.623 -13.481 1.00 21.80 O +ATOM 186 CB ASP D 96 -23.293 67.147 -12.101 1.00 34.63 C +ATOM 187 CG ASP D 96 -22.623 67.198 -10.701 1.00 39.84 C +ATOM 188 OD1 ASP D 96 -21.519 66.592 -10.495 1.00 30.85 O +ATOM 189 OD2 ASP D 96 -23.152 67.826 -9.747 1.00 41.78 O +ATOM 190 N TRP D 97 -20.089 66.870 -13.778 1.00 21.66 N +ATOM 191 CA TRP D 97 -18.939 67.672 -14.180 1.00 20.82 C +ATOM 192 C TRP D 97 -19.342 68.467 -15.426 1.00 25.39 C +ATOM 193 O TRP D 97 -19.999 67.923 -16.305 1.00 24.59 O +ATOM 194 CB TRP D 97 -17.784 66.726 -14.503 1.00 17.76 C +ATOM 195 CG TRP D 97 -16.433 67.330 -14.706 1.00 18.83 C +ATOM 196 CD1 TRP D 97 -15.635 67.173 -15.794 1.00 15.58 C +ATOM 197 CD2 TRP D 97 -15.694 68.135 -13.782 1.00 16.60 C +ATOM 198 NE1 TRP D 97 -14.453 67.847 -15.616 1.00 18.44 N +ATOM 199 CE2 TRP D 97 -14.464 68.445 -14.386 1.00 18.83 C +ATOM 200 CE3 TRP D 97 -15.958 68.648 -12.505 1.00 21.07 C +ATOM 201 CZ2 TRP D 97 -13.496 69.247 -13.763 1.00 20.85 C +ATOM 202 CZ3 TRP D 97 -14.997 69.432 -11.885 1.00 16.86 C +ATOM 203 CH2 TRP D 97 -13.786 69.725 -12.515 1.00 18.98 C +ATOM 204 N PRO D 98 -18.951 69.739 -15.512 1.00 27.06 N +ATOM 205 CA PRO D 98 -19.348 70.585 -16.647 1.00 24.59 C +ATOM 206 C PRO D 98 -18.819 70.039 -17.954 1.00 27.40 C +ATOM 207 O PRO D 98 -17.689 69.549 -18.015 1.00 25.34 O +ATOM 208 CB PRO D 98 -18.683 71.934 -16.342 1.00 24.40 C +ATOM 209 CG PRO D 98 -18.446 71.915 -14.879 1.00 29.47 C +ATOM 210 CD PRO D 98 -18.126 70.475 -14.540 1.00 22.58 C +ATOM 211 N LEU D 99 -19.634 70.130 -18.995 1.00 23.89 N +ATOM 212 CA LEU D 99 -19.207 69.709 -20.319 1.00 23.46 C +ATOM 213 C LEU D 99 -18.178 70.657 -20.902 1.00 22.56 C +ATOM 214 O LEU D 99 -17.486 70.318 -21.856 1.00 24.68 O +ATOM 215 CB LEU D 99 -20.408 69.527 -21.258 1.00 21.40 C +ATOM 216 CG LEU D 99 -21.535 68.707 -20.648 1.00 26.61 C +ATOM 217 CD1 LEU D 99 -22.637 68.494 -21.669 1.00 31.54 C +ATOM 218 CD2 LEU D 99 -21.028 67.355 -20.076 1.00 22.73 C +ATOM 219 N THR D 100 -18.054 71.841 -20.311 1.00 23.77 N +ATOM 220 CA THR D 100 -17.029 72.792 -20.735 1.00 26.10 C +ATOM 221 C THR D 100 -15.682 72.521 -20.072 1.00 25.25 C +ATOM 222 O THR D 100 -14.672 73.112 -20.459 1.00 26.06 O +ATOM 223 CB THR D 100 -17.454 74.214 -20.372 1.00 30.15 C +ATOM 224 OG1 THR D 100 -17.950 74.213 -19.024 1.00 32.14 O +ATOM 225 CG2 THR D 100 -18.647 74.665 -21.230 1.00 25.31 C +ATOM 226 N ALA D 101 -15.676 71.648 -19.067 1.00 23.49 N +ATOM 227 CA ALA D 101 -14.498 71.438 -18.216 1.00 24.64 C +ATOM 228 C ALA D 101 -13.319 70.878 -19.007 1.00 24.26 C +ATOM 229 O ALA D 101 -13.482 70.335 -20.102 1.00 25.01 O +ATOM 230 CB ALA D 101 -14.852 70.535 -17.042 1.00 21.56 C +ATOM 231 N GLU D 102 -12.120 71.032 -18.476 1.00 22.74 N +ATOM 232 CA GLU D 102 -10.942 70.780 -19.290 1.00 22.20 C +ATOM 233 C GLU D 102 -10.017 69.733 -18.682 1.00 23.57 C +ATOM 234 O GLU D 102 -9.019 69.340 -19.292 1.00 23.60 O +ATOM 235 CB GLU D 102 -10.200 72.094 -19.537 1.00 31.26 C +ATOM 236 CG GLU D 102 -10.626 72.795 -20.820 1.00 41.73 C +ATOM 237 CD GLU D 102 -10.231 74.258 -20.845 1.00 49.89 C +ATOM 238 OE1 GLU D 102 -9.017 74.562 -20.749 1.00 51.76 O +ATOM 239 OE2 GLU D 102 -11.136 75.112 -20.968 1.00 53.03 O +ATOM 240 N VAL D 103 -10.354 69.301 -17.472 1.00 21.67 N +ATOM 241 CA VAL D 103 -9.601 68.278 -16.765 1.00 23.09 C +ATOM 242 C VAL D 103 -10.599 67.198 -16.372 1.00 20.42 C +ATOM 243 O VAL D 103 -11.685 67.503 -15.878 1.00 22.10 O +ATOM 244 CB VAL D 103 -8.845 68.868 -15.544 1.00 21.31 C +ATOM 245 CG1 VAL D 103 -8.155 67.768 -14.707 1.00 18.90 C +ATOM 246 CG2 VAL D 103 -7.823 69.866 -16.021 1.00 24.61 C +ATOM 247 N PRO D 104 -10.251 65.946 -16.646 1.00 21.80 N +ATOM 248 CA PRO D 104 -11.181 64.826 -16.453 1.00 22.14 C +ATOM 249 C PRO D 104 -11.380 64.439 -15.001 1.00 21.06 C +ATOM 250 O PRO D 104 -10.436 64.471 -14.214 1.00 22.55 O +ATOM 251 CB PRO D 104 -10.518 63.673 -17.216 1.00 19.80 C +ATOM 252 CG PRO D 104 -9.043 64.010 -17.215 1.00 21.56 C +ATOM 253 CD PRO D 104 -8.947 65.507 -17.190 1.00 22.47 C +ATOM 254 N PRO D 105 -12.611 64.078 -14.662 1.00 21.26 N +ATOM 255 CA PRO D 105 -12.953 63.553 -13.336 1.00 19.03 C +ATOM 256 C PRO D 105 -12.003 62.477 -12.844 1.00 19.43 C +ATOM 257 O PRO D 105 -11.615 62.487 -11.667 1.00 21.14 O +ATOM 258 CB PRO D 105 -14.322 62.946 -13.573 1.00 19.71 C +ATOM 259 CG PRO D 105 -14.926 63.870 -14.595 1.00 20.28 C +ATOM 260 CD PRO D 105 -13.801 64.202 -15.526 1.00 20.78 C +ATOM 261 N GLU D 106 -11.641 61.545 -13.717 1.00 15.48 N +ATOM 262 CA GLU D 106 -10.878 60.405 -13.261 1.00 21.44 C +ATOM 263 C GLU D 106 -9.557 60.855 -12.655 1.00 23.04 C +ATOM 264 O GLU D 106 -9.144 60.353 -11.614 1.00 26.96 O +ATOM 265 CB GLU D 106 -10.675 59.409 -14.385 1.00 23.45 C +ATOM 266 CG GLU D 106 -10.150 58.082 -13.893 1.00 36.05 C +ATOM 267 CD GLU D 106 -8.646 58.094 -13.754 1.00 43.56 C +ATOM 268 OE1 GLU D 106 -7.973 58.780 -14.565 1.00 44.89 O +ATOM 269 OE2 GLU D 106 -8.141 57.434 -12.821 1.00 48.56 O +ATOM 270 N LEU D 107 -8.919 61.828 -13.300 1.00 22.97 N +ATOM 271 CA LEU D 107 -7.640 62.350 -12.847 1.00 24.76 C +ATOM 272 C LEU D 107 -7.826 63.159 -11.570 1.00 23.65 C +ATOM 273 O LEU D 107 -7.030 63.077 -10.644 1.00 23.72 O +ATOM 274 CB LEU D 107 -7.025 63.228 -13.932 1.00 23.38 C +ATOM 275 CG LEU D 107 -5.717 62.789 -14.587 1.00 34.33 C +ATOM 276 CD1 LEU D 107 -5.492 61.279 -14.548 1.00 36.01 C +ATOM 277 CD2 LEU D 107 -5.662 63.317 -16.023 1.00 35.81 C +ATOM 278 N LEU D 108 -8.899 63.932 -11.522 1.00 18.85 N +ATOM 279 CA LEU D 108 -9.173 64.742 -10.350 1.00 17.99 C +ATOM 280 C LEU D 108 -9.403 63.881 -9.134 1.00 16.92 C +ATOM 281 O LEU D 108 -8.813 64.122 -8.082 1.00 21.59 O +ATOM 282 CB LEU D 108 -10.374 65.640 -10.603 1.00 17.51 C +ATOM 283 CG LEU D 108 -9.951 66.746 -11.558 1.00 18.71 C +ATOM 284 CD1 LEU D 108 -11.163 67.320 -12.290 1.00 20.69 C +ATOM 285 CD2 LEU D 108 -9.212 67.838 -10.784 1.00 20.00 C +ATOM 286 N ALA D 109 -10.234 62.859 -9.299 1.00 17.91 N +ATOM 287 CA ALA D 109 -10.613 61.974 -8.202 1.00 20.89 C +ATOM 288 C ALA D 109 -9.428 61.158 -7.708 1.00 21.48 C +ATOM 289 O ALA D 109 -9.323 60.869 -6.512 1.00 20.19 O +ATOM 290 CB ALA D 109 -11.754 61.039 -8.629 1.00 19.28 C +ATOM 291 N ALA D 110 -8.557 60.770 -8.639 1.00 22.78 N +ATOM 292 CA ALA D 110 -7.338 60.041 -8.301 1.00 20.38 C +ATOM 293 C ALA D 110 -6.465 60.916 -7.406 1.00 22.31 C +ATOM 294 O ALA D 110 -5.840 60.419 -6.480 1.00 25.48 O +ATOM 295 CB ALA D 110 -6.583 59.619 -9.570 1.00 18.63 C +ATOM 296 N ALA D 111 -6.462 62.225 -7.657 1.00 23.42 N +ATOM 297 CA ALA D 111 -5.645 63.151 -6.871 1.00 21.88 C +ATOM 298 C ALA D 111 -6.320 63.621 -5.575 1.00 22.47 C +ATOM 299 O ALA D 111 -5.847 64.564 -4.949 1.00 21.52 O +ATOM 300 CB ALA D 111 -5.232 64.360 -7.729 1.00 22.89 C +ATOM 301 N GLY D 112 -7.439 62.995 -5.203 1.00 18.73 N +ATOM 302 CA GLY D 112 -8.071 63.251 -3.920 1.00 18.67 C +ATOM 303 C GLY D 112 -9.249 64.215 -3.976 1.00 23.17 C +ATOM 304 O GLY D 112 -9.870 64.492 -2.946 1.00 22.23 O +ATOM 305 N PHE D 113 -9.568 64.709 -5.172 1.00 18.77 N +ATOM 306 CA PHE D 113 -10.601 65.733 -5.311 1.00 18.40 C +ATOM 307 C PHE D 113 -11.966 65.118 -5.548 1.00 17.72 C +ATOM 308 O PHE D 113 -12.099 64.110 -6.245 1.00 16.91 O +ATOM 309 CB PHE D 113 -10.242 66.701 -6.442 1.00 18.20 C +ATOM 310 CG PHE D 113 -8.968 67.451 -6.198 1.00 19.79 C +ATOM 311 CD1 PHE D 113 -8.897 68.416 -5.208 1.00 21.23 C +ATOM 312 CD2 PHE D 113 -7.828 67.169 -6.936 1.00 20.56 C +ATOM 313 CE1 PHE D 113 -7.708 69.100 -4.966 1.00 21.73 C +ATOM 314 CE2 PHE D 113 -6.640 67.848 -6.700 1.00 19.76 C +ATOM 315 CZ PHE D 113 -6.580 68.808 -5.714 1.00 19.64 C +ATOM 316 N PHE D 114 -12.979 65.709 -4.931 1.00 17.02 N +ATOM 317 CA PHE D 114 -14.349 65.400 -5.293 1.00 22.70 C +ATOM 318 C PHE D 114 -14.977 66.686 -5.811 1.00 23.22 C +ATOM 319 O PHE D 114 -14.536 67.783 -5.476 1.00 25.00 O +ATOM 320 CB PHE D 114 -15.131 64.833 -4.101 1.00 18.25 C +ATOM 321 CG PHE D 114 -15.248 65.789 -2.951 1.00 22.28 C +ATOM 322 CD1 PHE D 114 -16.304 66.688 -2.890 1.00 20.03 C +ATOM 323 CD2 PHE D 114 -14.294 65.803 -1.933 1.00 24.37 C +ATOM 324 CE1 PHE D 114 -16.421 67.585 -1.832 1.00 22.93 C +ATOM 325 CE2 PHE D 114 -14.399 66.705 -0.871 1.00 24.35 C +ATOM 326 CZ PHE D 114 -15.469 67.595 -0.822 1.00 26.91 C +ATOM 327 N HIS D 115 -16.015 66.537 -6.617 1.00 22.35 N +ATOM 328 CA HIS D 115 -16.749 67.660 -7.166 1.00 21.89 C +ATOM 329 C HIS D 115 -17.747 68.207 -6.152 1.00 19.17 C +ATOM 330 O HIS D 115 -18.464 67.450 -5.520 1.00 22.75 O +ATOM 331 CB HIS D 115 -17.498 67.201 -8.420 1.00 23.21 C +ATOM 332 CG HIS D 115 -18.089 68.322 -9.212 1.00 24.23 C +ATOM 333 ND1 HIS D 115 -19.227 68.174 -9.976 1.00 22.17 N +ATOM 334 CD2 HIS D 115 -17.701 69.610 -9.357 1.00 23.40 C +ATOM 335 CE1 HIS D 115 -19.508 69.321 -10.564 1.00 24.25 C +ATOM 336 NE2 HIS D 115 -18.593 70.206 -10.212 1.00 28.20 N +ATOM 337 N THR D 116 -17.802 69.522 -5.998 1.00 21.76 N +ATOM 338 CA THR D 116 -18.771 70.123 -5.071 1.00 30.30 C +ATOM 339 C THR D 116 -20.176 70.156 -5.679 1.00 40.86 C +ATOM 340 O THR D 116 -21.177 70.269 -4.957 1.00 42.78 O +ATOM 341 CB THR D 116 -18.353 71.549 -4.680 1.00 29.29 C +ATOM 342 OG1 THR D 116 -18.273 72.354 -5.867 1.00 33.00 O +ATOM 343 CG2 THR D 116 -16.928 71.575 -4.137 1.00 29.10 C +ATOM 344 N GLY D 117 -20.241 70.058 -7.009 1.00 46.37 N +ATOM 345 CA GLY D 117 -21.499 70.101 -7.740 1.00 43.91 C +ATOM 346 C GLY D 117 -21.718 71.486 -8.314 1.00 44.22 C +ATOM 347 O GLY D 117 -22.773 71.796 -8.856 1.00 50.48 O +ATOM 348 N HIS D 118 -20.707 72.330 -8.182 1.00 45.47 N +ATOM 349 CA HIS D 118 -20.799 73.706 -8.639 1.00 46.69 C +ATOM 350 C HIS D 118 -19.655 73.979 -9.602 1.00 40.91 C +ATOM 351 O HIS D 118 -18.482 73.947 -9.206 1.00 34.91 O +ATOM 352 CB HIS D 118 -20.795 74.668 -7.441 1.00 51.90 C +ATOM 353 CG HIS D 118 -21.925 74.429 -6.486 1.00 59.66 C +ATOM 354 ND1 HIS D 118 -23.154 75.044 -6.614 1.00 61.55 N +ATOM 355 CD2 HIS D 118 -22.025 73.614 -5.407 1.00 62.21 C +ATOM 356 CE1 HIS D 118 -23.956 74.630 -5.648 1.00 62.30 C +ATOM 357 NE2 HIS D 118 -23.296 73.759 -4.904 1.00 62.51 N +ATOM 358 N GLN D 119 -20.007 74.201 -10.873 1.00 31.59 N +ATOM 359 CA GLN D 119 -19.029 74.474 -11.920 1.00 32.42 C +ATOM 360 C GLN D 119 -17.935 73.406 -11.892 1.00 26.81 C +ATOM 361 O GLN D 119 -18.221 72.230 -11.730 1.00 22.50 O +ATOM 362 CB GLN D 119 -18.438 75.876 -11.764 1.00 37.56 C +ATOM 363 CG GLN D 119 -19.441 76.994 -12.012 1.00 45.19 C +ATOM 364 CD GLN D 119 -20.196 77.375 -10.757 1.00 52.87 C +ATOM 365 OE1 GLN D 119 -19.653 78.055 -9.887 1.00 59.69 O +ATOM 366 NE2 GLN D 119 -21.446 76.932 -10.652 1.00 54.61 N +ATOM 367 N ASP D 120 -16.681 73.798 -12.032 1.00 22.85 N +ATOM 368 CA ASP D 120 -15.651 72.791 -12.016 1.00 24.01 C +ATOM 369 C ASP D 120 -14.886 72.827 -10.698 1.00 24.26 C +ATOM 370 O ASP D 120 -13.695 72.503 -10.650 1.00 18.97 O +ATOM 371 CB ASP D 120 -14.749 72.892 -13.254 1.00 25.45 C +ATOM 372 CG ASP D 120 -13.865 74.124 -13.251 1.00 27.18 C +ATOM 373 OD1 ASP D 120 -14.130 75.069 -12.478 1.00 25.71 O +ATOM 374 OD2 ASP D 120 -12.875 74.232 -14.003 1.00 32.74 O +ATOM 375 N LYS D 121 -15.592 73.217 -9.638 1.00 22.34 N +ATOM 376 CA LYS D 121 -15.006 73.317 -8.307 1.00 21.88 C +ATOM 377 C LYS D 121 -14.823 71.963 -7.687 1.00 22.27 C +ATOM 378 O LYS D 121 -15.728 71.131 -7.699 1.00 22.85 O +ATOM 379 CB LYS D 121 -15.864 74.179 -7.388 1.00 23.05 C +ATOM 380 CG LYS D 121 -15.921 75.619 -7.831 1.00 30.66 C +ATOM 381 CD LYS D 121 -16.831 76.437 -6.951 1.00 32.20 C +ATOM 382 CE LYS D 121 -17.251 77.704 -7.678 1.00 38.64 C +ATOM 383 NZ LYS D 121 -17.830 78.694 -6.732 1.00 45.65 N +ATOM 384 N VAL D 122 -13.642 71.745 -7.130 1.00 21.94 N +ATOM 385 CA VAL D 122 -13.360 70.506 -6.429 1.00 20.78 C +ATOM 386 C VAL D 122 -12.760 70.804 -5.063 1.00 22.50 C +ATOM 387 O VAL D 122 -12.215 71.879 -4.823 1.00 22.17 O +ATOM 388 CB VAL D 122 -12.413 69.579 -7.223 1.00 21.79 C +ATOM 389 CG1 VAL D 122 -13.030 69.194 -8.571 1.00 21.10 C +ATOM 390 CG2 VAL D 122 -11.050 70.218 -7.413 1.00 19.71 C +ATOM 391 N ARG D 123 -12.881 69.840 -4.168 1.00 22.67 N +ATOM 392 CA ARG D 123 -12.207 69.905 -2.897 1.00 19.14 C +ATOM 393 C ARG D 123 -11.562 68.571 -2.656 1.00 19.69 C +ATOM 394 O ARG D 123 -12.072 67.535 -3.086 1.00 20.68 O +ATOM 395 CB ARG D 123 -13.189 70.240 -1.781 1.00 20.98 C +ATOM 396 CG ARG D 123 -13.577 71.708 -1.761 1.00 24.07 C +ATOM 397 CD ARG D 123 -14.026 72.154 -0.418 1.00 28.96 C +ATOM 398 NE ARG D 123 -14.528 73.518 -0.412 1.00 28.81 N +ATOM 399 CZ ARG D 123 -13.839 74.588 -0.039 1.00 30.67 C +ATOM 400 NH1 ARG D 123 -12.571 74.493 0.373 1.00 25.27 N +ATOM 401 NH2 ARG D 123 -14.433 75.771 -0.081 1.00 30.20 N +ATOM 402 N CYS D 124 -10.414 68.599 -1.991 1.00 13.85 N +ATOM 403 CA CYS D 124 -9.727 67.381 -1.643 1.00 17.40 C +ATOM 404 C CYS D 124 -10.456 66.834 -0.445 1.00 18.23 C +ATOM 405 O CYS D 124 -10.805 67.602 0.437 1.00 18.16 O +ATOM 406 CB CYS D 124 -8.284 67.683 -1.253 1.00 15.90 C +ATOM 407 SG CYS D 124 -7.483 66.260 -0.511 1.00 21.93 S +ATOM 408 N PHE D 125 -10.685 65.524 -0.405 1.00 20.03 N +ATOM 409 CA PHE D 125 -11.362 64.914 0.746 1.00 21.98 C +ATOM 410 C PHE D 125 -10.547 65.087 2.025 1.00 27.07 C +ATOM 411 O PHE D 125 -11.110 65.191 3.127 1.00 25.11 O +ATOM 412 CB PHE D 125 -11.643 63.424 0.499 1.00 18.23 C +ATOM 413 CG PHE D 125 -10.470 62.524 0.767 1.00 20.59 C +ATOM 414 CD1 PHE D 125 -9.489 62.335 -0.200 1.00 18.48 C +ATOM 415 CD2 PHE D 125 -10.345 61.860 1.994 1.00 22.85 C +ATOM 416 CE1 PHE D 125 -8.388 61.515 0.046 1.00 22.86 C +ATOM 417 CE2 PHE D 125 -9.245 61.031 2.264 1.00 20.92 C +ATOM 418 CZ PHE D 125 -8.261 60.853 1.293 1.00 24.47 C +ATOM 419 N PHE D 126 -9.220 65.121 1.882 1.00 26.25 N +ATOM 420 CA PHE D 126 -8.354 65.217 3.049 1.00 21.46 C +ATOM 421 C PHE D 126 -8.155 66.612 3.590 1.00 21.34 C +ATOM 422 O PHE D 126 -8.565 66.897 4.709 1.00 22.72 O +ATOM 423 CB PHE D 126 -7.005 64.526 2.836 1.00 27.51 C +ATOM 424 CG PHE D 126 -6.389 64.086 4.113 1.00 26.68 C +ATOM 425 CD1 PHE D 126 -5.731 64.999 4.919 1.00 25.63 C +ATOM 426 CD2 PHE D 126 -6.541 62.782 4.556 1.00 27.63 C +ATOM 427 CE1 PHE D 126 -5.216 64.610 6.139 1.00 27.69 C +ATOM 428 CE2 PHE D 126 -6.011 62.386 5.777 1.00 27.90 C +ATOM 429 CZ PHE D 126 -5.348 63.313 6.562 1.00 25.87 C +ATOM 430 N CYS D 127 -7.523 67.480 2.802 1.00 19.90 N +ATOM 431 CA CYS D 127 -7.197 68.819 3.260 1.00 22.51 C +ATOM 432 C CYS D 127 -8.332 69.805 3.006 1.00 25.02 C +ATOM 433 O CYS D 127 -8.292 70.947 3.489 1.00 20.44 O +ATOM 434 CB CYS D 127 -5.915 69.320 2.577 1.00 23.18 C +ATOM 435 SG CYS D 127 -6.029 69.495 0.779 1.00 18.74 S +ATOM 436 N TYR D 128 -9.331 69.374 2.232 1.00 24.40 N +ATOM 437 CA TYR D 128 -10.452 70.237 1.862 1.00 22.47 C +ATOM 438 C TYR D 128 -10.033 71.419 0.992 1.00 22.08 C +ATOM 439 O TYR D 128 -10.791 72.371 0.822 1.00 22.23 O +ATOM 440 CB TYR D 128 -11.189 70.743 3.106 1.00 22.13 C +ATOM 441 CG TYR D 128 -12.669 70.911 2.892 1.00 27.07 C +ATOM 442 CD1 TYR D 128 -13.468 69.823 2.529 1.00 29.75 C +ATOM 443 CD2 TYR D 128 -13.273 72.153 3.055 1.00 30.45 C +ATOM 444 CE1 TYR D 128 -14.829 69.970 2.323 1.00 33.65 C +ATOM 445 CE2 TYR D 128 -14.637 72.317 2.859 1.00 32.05 C +ATOM 446 CZ TYR D 128 -15.410 71.219 2.492 1.00 34.96 C +ATOM 447 OH TYR D 128 -16.761 71.380 2.294 1.00 35.47 O +ATOM 448 N GLY D 129 -8.825 71.352 0.446 1.00 25.28 N +ATOM 449 CA GLY D 129 -8.352 72.348 -0.494 1.00 20.44 C +ATOM 450 C GLY D 129 -9.259 72.423 -1.711 1.00 24.06 C +ATOM 451 O GLY D 129 -9.548 71.407 -2.353 1.00 21.74 O +ATOM 452 N GLY D 130 -9.707 73.636 -2.009 1.00 22.68 N +ATOM 453 CA GLY D 130 -10.651 73.878 -3.071 1.00 24.57 C +ATOM 454 C GLY D 130 -9.990 74.506 -4.278 1.00 24.61 C +ATOM 455 O GLY D 130 -9.319 75.531 -4.170 1.00 23.75 O +ATOM 456 N LEU D 131 -10.194 73.883 -5.434 1.00 21.42 N +ATOM 457 CA LEU D 131 -9.640 74.371 -6.686 1.00 21.63 C +ATOM 458 C LEU D 131 -10.728 74.420 -7.734 1.00 25.59 C +ATOM 459 O LEU D 131 -11.669 73.630 -7.694 1.00 22.63 O +ATOM 460 CB LEU D 131 -8.509 73.462 -7.168 1.00 23.59 C +ATOM 461 CG LEU D 131 -7.214 73.435 -6.354 1.00 25.31 C +ATOM 462 CD1 LEU D 131 -6.204 72.489 -6.995 1.00 21.60 C +ATOM 463 CD2 LEU D 131 -6.625 74.839 -6.225 1.00 24.14 C +ATOM 464 N GLN D 132 -10.586 75.352 -8.675 1.00 26.15 N +ATOM 465 CA GLN D 132 -11.521 75.498 -9.777 1.00 28.55 C +ATOM 466 C GLN D 132 -10.803 76.088 -10.981 1.00 30.63 C +ATOM 467 O GLN D 132 -9.589 76.339 -10.922 1.00 28.47 O +ATOM 468 CB GLN D 132 -12.684 76.404 -9.369 1.00 32.12 C +ATOM 469 CG GLN D 132 -12.269 77.818 -9.002 1.00 33.69 C +ATOM 470 CD GLN D 132 -13.433 78.626 -8.489 1.00 38.12 C +ATOM 471 OE1 GLN D 132 -13.892 78.417 -7.370 1.00 39.36 O +ATOM 472 NE2 GLN D 132 -13.925 79.540 -9.310 1.00 36.68 N +ATOM 473 N SER D 133 -11.567 76.320 -12.053 1.00 26.97 N +ATOM 474 CA SER D 133 -11.071 76.913 -13.293 1.00 30.41 C +ATOM 475 C SER D 133 -9.905 76.085 -13.813 1.00 33.14 C +ATOM 476 O SER D 133 -8.820 76.610 -14.083 1.00 29.62 O +ATOM 477 CB SER D 133 -10.667 78.381 -13.099 1.00 33.15 C +ATOM 478 OG SER D 133 -11.655 79.112 -12.391 1.00 39.92 O +ATOM 479 N TRP D 134 -10.148 74.779 -13.939 1.00 32.60 N +ATOM 480 CA TRP D 134 -9.133 73.828 -14.376 1.00 28.38 C +ATOM 481 C TRP D 134 -8.878 74.025 -15.853 1.00 26.24 C +ATOM 482 O TRP D 134 -9.808 74.144 -16.624 1.00 28.00 O +ATOM 483 CB TRP D 134 -9.607 72.399 -14.108 1.00 26.65 C +ATOM 484 CG TRP D 134 -9.630 72.070 -12.656 1.00 24.24 C +ATOM 485 CD1 TRP D 134 -10.664 72.265 -11.774 1.00 24.01 C +ATOM 486 CD2 TRP D 134 -8.564 71.510 -11.906 1.00 21.21 C +ATOM 487 NE1 TRP D 134 -10.301 71.839 -10.520 1.00 21.54 N +ATOM 488 CE2 TRP D 134 -9.011 71.375 -10.574 1.00 18.90 C +ATOM 489 CE3 TRP D 134 -7.267 71.079 -12.230 1.00 22.65 C +ATOM 490 CZ2 TRP D 134 -8.211 70.849 -9.572 1.00 20.37 C +ATOM 491 CZ3 TRP D 134 -6.475 70.546 -11.234 1.00 25.28 C +ATOM 492 CH2 TRP D 134 -6.949 70.430 -9.920 1.00 25.24 C +ATOM 493 N LYS D 135 -7.611 74.068 -16.239 1.00 30.06 N +ATOM 494 CA LYS D 135 -7.242 74.295 -17.627 1.00 30.48 C +ATOM 495 C LYS D 135 -6.632 73.044 -18.216 1.00 29.42 C +ATOM 496 O LYS D 135 -6.057 72.214 -17.499 1.00 29.87 O +ATOM 497 CB LYS D 135 -6.254 75.458 -17.730 1.00 39.68 C +ATOM 498 CG LYS D 135 -6.889 76.825 -17.501 1.00 48.48 C +ATOM 499 CD LYS D 135 -5.987 77.714 -16.656 1.00 57.43 C +ATOM 500 CE LYS D 135 -6.486 79.159 -16.618 1.00 62.27 C +ATOM 501 NZ LYS D 135 -7.800 79.292 -15.926 1.00 63.45 N +ATOM 502 N ARG D 136 -6.761 72.914 -19.531 1.00 27.02 N +ATOM 503 CA ARG D 136 -6.259 71.766 -20.258 1.00 32.97 C +ATOM 504 C ARG D 136 -4.797 71.545 -19.898 1.00 32.72 C +ATOM 505 O ARG D 136 -4.001 72.481 -19.889 1.00 34.94 O +ATOM 506 CB ARG D 136 -6.430 71.988 -21.764 1.00 40.26 C +ATOM 507 CG ARG D 136 -5.827 70.898 -22.640 1.00 52.77 C +ATOM 508 CD ARG D 136 -5.659 71.303 -24.099 1.00 63.77 C +ATOM 509 NE ARG D 136 -4.816 70.361 -24.839 1.00 72.75 N +ATOM 510 CZ ARG D 136 -3.763 70.708 -25.574 1.00 78.86 C +ATOM 511 NH1 ARG D 136 -3.403 71.984 -25.681 1.00 80.84 N +ATOM 512 NH2 ARG D 136 -3.064 69.776 -26.209 1.00 81.56 N +ATOM 513 N GLY D 137 -4.458 70.304 -19.584 1.00 36.84 N +ATOM 514 CA GLY D 137 -3.103 69.967 -19.187 1.00 40.07 C +ATOM 515 C GLY D 137 -2.773 70.195 -17.718 1.00 38.78 C +ATOM 516 O GLY D 137 -1.697 69.785 -17.276 1.00 37.34 O +ATOM 517 N ASP D 138 -3.667 70.846 -16.963 1.00 33.98 N +ATOM 518 CA ASP D 138 -3.461 70.973 -15.520 1.00 34.67 C +ATOM 519 C ASP D 138 -3.382 69.580 -14.950 1.00 31.57 C +ATOM 520 O ASP D 138 -4.209 68.718 -15.263 1.00 35.67 O +ATOM 521 CB ASP D 138 -4.599 71.716 -14.826 1.00 33.22 C +ATOM 522 CG ASP D 138 -4.427 73.210 -14.856 1.00 35.26 C +ATOM 523 OD1 ASP D 138 -3.447 73.721 -15.449 1.00 39.20 O +ATOM 524 OD2 ASP D 138 -5.251 73.965 -14.325 1.00 36.56 O +ATOM 525 N ASP D 139 -2.368 69.358 -14.134 1.00 29.85 N +ATOM 526 CA ASP D 139 -2.203 68.075 -13.488 1.00 30.39 C +ATOM 527 C ASP D 139 -2.709 68.178 -12.044 1.00 26.93 C +ATOM 528 O ASP D 139 -2.140 68.906 -11.231 1.00 32.72 O +ATOM 529 CB ASP D 139 -0.743 67.641 -13.551 1.00 29.46 C +ATOM 530 CG ASP D 139 -0.505 66.343 -12.838 1.00 35.25 C +ATOM 531 OD1 ASP D 139 -0.989 65.263 -13.220 1.00 40.28 O +ATOM 532 OD2 ASP D 139 0.183 66.360 -11.802 1.00 39.66 O +ATOM 533 N PRO D 140 -3.788 67.467 -11.729 1.00 27.41 N +ATOM 534 CA PRO D 140 -4.391 67.543 -10.393 1.00 25.53 C +ATOM 535 C PRO D 140 -3.397 67.309 -9.247 1.00 26.91 C +ATOM 536 O PRO D 140 -3.420 68.082 -8.289 1.00 25.25 O +ATOM 537 CB PRO D 140 -5.482 66.483 -10.446 1.00 24.26 C +ATOM 538 CG PRO D 140 -5.874 66.474 -11.923 1.00 24.38 C +ATOM 539 CD PRO D 140 -4.546 66.575 -12.631 1.00 24.66 C +ATOM 540 N TRP D 141 -2.526 66.307 -9.354 1.00 24.34 N +ATOM 541 CA TRP D 141 -1.501 66.093 -8.329 1.00 23.49 C +ATOM 542 C TRP D 141 -0.614 67.319 -8.095 1.00 23.61 C +ATOM 543 O TRP D 141 -0.396 67.730 -6.958 1.00 26.05 O +ATOM 544 CB TRP D 141 -0.644 64.889 -8.693 1.00 24.71 C +ATOM 545 CG TRP D 141 -1.258 63.579 -8.298 1.00 22.73 C +ATOM 546 CD1 TRP D 141 -1.461 62.500 -9.103 1.00 25.20 C +ATOM 547 CD2 TRP D 141 -1.745 63.207 -7.000 1.00 22.06 C +ATOM 548 NE1 TRP D 141 -2.039 61.479 -8.387 1.00 26.15 N +ATOM 549 CE2 TRP D 141 -2.213 61.887 -7.090 1.00 22.48 C +ATOM 550 CE3 TRP D 141 -1.828 63.861 -5.763 1.00 23.12 C +ATOM 551 CZ2 TRP D 141 -2.747 61.203 -5.998 1.00 23.61 C +ATOM 552 CZ3 TRP D 141 -2.362 63.173 -4.675 1.00 22.41 C +ATOM 553 CH2 TRP D 141 -2.810 61.865 -4.805 1.00 21.86 C +ATOM 554 N THR D 142 -0.148 67.917 -9.188 1.00 21.94 N +ATOM 555 CA THR D 142 0.719 69.091 -9.159 1.00 23.14 C +ATOM 556 C THR D 142 0.016 70.292 -8.559 1.00 22.42 C +ATOM 557 O THR D 142 0.588 71.016 -7.737 1.00 24.79 O +ATOM 558 CB THR D 142 1.170 69.401 -10.595 1.00 22.46 C +ATOM 559 OG1 THR D 142 1.912 68.282 -11.083 1.00 26.51 O +ATOM 560 CG2 THR D 142 2.156 70.546 -10.629 1.00 23.36 C +ATOM 561 N GLU D 143 -1.233 70.494 -8.966 1.00 20.86 N +ATOM 562 CA GLU D 143 -2.043 71.571 -8.417 1.00 23.60 C +ATOM 563 C GLU D 143 -2.263 71.350 -6.932 1.00 24.91 C +ATOM 564 O GLU D 143 -2.197 72.286 -6.141 1.00 28.09 O +ATOM 565 CB GLU D 143 -3.396 71.625 -9.123 1.00 24.81 C +ATOM 566 CG GLU D 143 -3.319 72.063 -10.571 1.00 26.42 C +ATOM 567 CD GLU D 143 -2.593 73.378 -10.736 1.00 32.66 C +ATOM 568 OE1 GLU D 143 -2.906 74.342 -9.993 1.00 28.75 O +ATOM 569 OE2 GLU D 143 -1.692 73.430 -11.604 1.00 37.63 O +ATOM 570 N HIS D 144 -2.533 70.101 -6.567 1.00 21.86 N +ATOM 571 CA HIS D 144 -2.707 69.724 -5.175 1.00 22.60 C +ATOM 572 C HIS D 144 -1.449 70.101 -4.376 1.00 25.05 C +ATOM 573 O HIS D 144 -1.539 70.651 -3.285 1.00 28.75 O +ATOM 574 CB HIS D 144 -2.966 68.228 -5.108 1.00 16.67 C +ATOM 575 CG HIS D 144 -3.757 67.789 -3.914 1.00 18.74 C +ATOM 576 ND1 HIS D 144 -4.501 66.630 -3.915 1.00 20.41 N +ATOM 577 CD2 HIS D 144 -3.864 68.303 -2.667 1.00 17.72 C +ATOM 578 CE1 HIS D 144 -5.046 66.457 -2.726 1.00 21.51 C +ATOM 579 NE2 HIS D 144 -4.676 67.460 -1.951 1.00 19.57 N +ATOM 580 N ALA D 145 -0.281 69.830 -4.948 1.00 24.51 N +ATOM 581 CA ALA D 145 0.982 70.115 -4.276 1.00 26.86 C +ATOM 582 C ALA D 145 1.277 71.613 -4.229 1.00 25.72 C +ATOM 583 O ALA D 145 1.743 72.136 -3.219 1.00 27.29 O +ATOM 584 CB ALA D 145 2.114 69.355 -4.951 1.00 22.04 C +ATOM 585 N LYS D 146 0.966 72.301 -5.320 1.00 28.90 N +ATOM 586 CA LYS D 146 1.164 73.742 -5.413 1.00 30.64 C +ATOM 587 C LYS D 146 0.388 74.496 -4.336 1.00 32.78 C +ATOM 588 O LYS D 146 0.886 75.448 -3.737 1.00 33.09 O +ATOM 589 CB LYS D 146 0.740 74.222 -6.801 1.00 34.06 C +ATOM 590 CG LYS D 146 1.168 75.639 -7.132 1.00 41.91 C +ATOM 591 CD LYS D 146 0.490 76.167 -8.393 1.00 46.63 C +ATOM 592 CE LYS D 146 0.595 77.700 -8.457 1.00 50.17 C +ATOM 593 NZ LYS D 146 -0.022 78.284 -9.686 1.00 50.99 N +ATOM 594 N TRP D 147 -0.837 74.059 -4.084 1.00 31.47 N +ATOM 595 CA TRP D 147 -1.745 74.831 -3.254 1.00 26.34 C +ATOM 596 C TRP D 147 -1.876 74.326 -1.833 1.00 24.57 C +ATOM 597 O TRP D 147 -2.100 75.112 -0.922 1.00 27.34 O +ATOM 598 CB TRP D 147 -3.124 74.894 -3.922 1.00 28.59 C +ATOM 599 CG TRP D 147 -3.079 75.644 -5.200 1.00 29.73 C +ATOM 600 CD1 TRP D 147 -3.175 75.131 -6.453 1.00 27.56 C +ATOM 601 CD2 TRP D 147 -2.872 77.050 -5.353 1.00 29.53 C +ATOM 602 NE1 TRP D 147 -3.078 76.134 -7.384 1.00 31.75 N +ATOM 603 CE2 TRP D 147 -2.884 77.326 -6.735 1.00 31.11 C +ATOM 604 CE3 TRP D 147 -2.684 78.115 -4.456 1.00 30.57 C +ATOM 605 CZ2 TRP D 147 -2.719 78.619 -7.248 1.00 34.08 C +ATOM 606 CZ3 TRP D 147 -2.526 79.403 -4.959 1.00 31.67 C +ATOM 607 CH2 TRP D 147 -2.542 79.641 -6.346 1.00 35.78 C +ATOM 608 N PHE D 148 -1.758 73.016 -1.638 1.00 26.74 N +ATOM 609 CA PHE D 148 -2.008 72.431 -0.321 1.00 25.61 C +ATOM 610 C PHE D 148 -0.874 71.501 0.059 1.00 26.93 C +ATOM 611 O PHE D 148 -1.081 70.294 0.242 1.00 21.17 O +ATOM 612 CB PHE D 148 -3.369 71.719 -0.329 1.00 27.44 C +ATOM 613 CG PHE D 148 -4.416 72.457 -1.128 1.00 24.78 C +ATOM 614 CD1 PHE D 148 -4.856 73.715 -0.724 1.00 25.98 C +ATOM 615 CD2 PHE D 148 -4.943 71.909 -2.290 1.00 27.68 C +ATOM 616 CE1 PHE D 148 -5.798 74.420 -1.471 1.00 25.16 C +ATOM 617 CE2 PHE D 148 -5.904 72.593 -3.028 1.00 23.60 C +ATOM 618 CZ PHE D 148 -6.317 73.857 -2.628 1.00 21.64 C +ATOM 619 N PRO D 149 0.336 72.060 0.183 1.00 26.70 N +ATOM 620 CA PRO D 149 1.535 71.237 0.383 1.00 23.82 C +ATOM 621 C PRO D 149 1.495 70.371 1.645 1.00 25.69 C +ATOM 622 O PRO D 149 2.146 69.331 1.667 1.00 26.83 O +ATOM 623 CB PRO D 149 2.671 72.269 0.476 1.00 26.41 C +ATOM 624 CG PRO D 149 2.014 73.554 0.785 1.00 25.43 C +ATOM 625 CD PRO D 149 0.654 73.501 0.156 1.00 23.12 C +ATOM 626 N SER D 150 0.730 70.759 2.661 1.00 25.91 N +ATOM 627 CA SER D 150 0.719 69.991 3.906 1.00 25.74 C +ATOM 628 C SER D 150 -0.331 68.874 3.929 1.00 26.87 C +ATOM 629 O SER D 150 -0.454 68.135 4.917 1.00 24.15 O +ATOM 630 CB SER D 150 0.572 70.925 5.109 1.00 32.62 C +ATOM 631 OG SER D 150 -0.686 71.574 5.090 1.00 44.02 O +ATOM 632 N CYS D 151 -1.083 68.740 2.842 1.00 23.61 N +ATOM 633 CA CYS D 151 -2.092 67.689 2.749 1.00 20.27 C +ATOM 634 C CYS D 151 -1.474 66.318 2.921 1.00 23.38 C +ATOM 635 O CYS D 151 -0.609 65.913 2.141 1.00 24.04 O +ATOM 636 CB CYS D 151 -2.828 67.745 1.408 1.00 18.98 C +ATOM 637 SG CYS D 151 -3.962 66.358 1.264 1.00 23.58 S +ATOM 638 N GLN D 152 -1.954 65.585 3.921 1.00 25.41 N +ATOM 639 CA GLN D 152 -1.360 64.301 4.269 1.00 26.89 C +ATOM 640 C GLN D 152 -1.691 63.227 3.268 1.00 28.57 C +ATOM 641 O GLN D 152 -0.937 62.268 3.107 1.00 24.82 O +ATOM 642 CB GLN D 152 -1.783 63.872 5.670 1.00 29.36 C +ATOM 643 CG GLN D 152 -1.148 64.739 6.773 1.00 38.30 C +ATOM 644 CD GLN D 152 -1.852 64.584 8.107 1.00 41.46 C +ATOM 645 OE1 GLN D 152 -1.724 63.552 8.764 1.00 47.70 O +ATOM 646 NE2 GLN D 152 -2.608 65.597 8.500 1.00 43.36 N +ATOM 647 N PHE D 153 -2.824 63.381 2.588 1.00 26.67 N +ATOM 648 CA PHE D 153 -3.171 62.423 1.555 1.00 23.57 C +ATOM 649 C PHE D 153 -2.226 62.612 0.368 1.00 16.73 C +ATOM 650 O PHE D 153 -1.705 61.656 -0.178 1.00 21.58 O +ATOM 651 CB PHE D 153 -4.614 62.608 1.098 1.00 20.83 C +ATOM 652 CG PHE D 153 -4.931 61.848 -0.131 1.00 19.14 C +ATOM 653 CD1 PHE D 153 -5.028 60.455 -0.082 1.00 14.69 C +ATOM 654 CD2 PHE D 153 -5.070 62.504 -1.345 1.00 16.38 C +ATOM 655 CE1 PHE D 153 -5.305 59.727 -1.212 1.00 16.99 C +ATOM 656 CE2 PHE D 153 -5.352 61.781 -2.502 1.00 16.23 C +ATOM 657 CZ PHE D 153 -5.471 60.375 -2.431 1.00 16.40 C +ATOM 658 N LEU D 154 -2.041 63.865 -0.024 1.00 19.14 N +ATOM 659 CA LEU D 154 -1.068 64.222 -1.031 1.00 21.13 C +ATOM 660 C LEU D 154 0.301 63.675 -0.639 1.00 23.64 C +ATOM 661 O LEU D 154 0.911 62.929 -1.404 1.00 22.88 O +ATOM 662 CB LEU D 154 -1.041 65.744 -1.192 1.00 20.86 C +ATOM 663 CG LEU D 154 0.163 66.376 -1.888 1.00 23.07 C +ATOM 664 CD1 LEU D 154 0.190 66.033 -3.374 1.00 25.65 C +ATOM 665 CD2 LEU D 154 0.104 67.879 -1.686 1.00 24.06 C +ATOM 666 N LEU D 155 0.748 63.995 0.577 1.00 24.51 N +ATOM 667 CA LEU D 155 2.063 63.553 1.056 1.00 26.65 C +ATOM 668 C LEU D 155 2.237 62.036 1.080 1.00 27.18 C +ATOM 669 O LEU D 155 3.248 61.530 0.585 1.00 26.82 O +ATOM 670 CB LEU D 155 2.402 64.184 2.415 1.00 24.02 C +ATOM 671 CG LEU D 155 2.668 65.701 2.360 1.00 26.95 C +ATOM 672 CD1 LEU D 155 2.789 66.280 3.764 1.00 23.20 C +ATOM 673 CD2 LEU D 155 3.935 66.046 1.537 1.00 27.63 C +ATOM 674 N ARG D 156 1.249 61.314 1.607 1.00 26.21 N +ATOM 675 CA ARG D 156 1.293 59.852 1.627 1.00 29.89 C +ATOM 676 C ARG D 156 1.379 59.279 0.210 1.00 27.51 C +ATOM 677 O ARG D 156 2.105 58.312 -0.033 1.00 27.05 O +ATOM 678 CB ARG D 156 0.046 59.264 2.302 1.00 35.45 C +ATOM 679 CG ARG D 156 0.035 59.218 3.824 1.00 49.99 C +ATOM 680 CD ARG D 156 -1.162 58.428 4.418 1.00 55.99 C +ATOM 681 NE ARG D 156 -2.370 59.247 4.618 1.00 61.67 N +ATOM 682 CZ ARG D 156 -3.502 59.153 3.898 1.00 62.28 C +ATOM 683 NH1 ARG D 156 -3.623 58.282 2.900 1.00 58.28 N +ATOM 684 NH2 ARG D 156 -4.524 59.946 4.178 1.00 63.14 N +ATOM 685 N SER D 157 0.625 59.869 -0.717 1.00 24.37 N +ATOM 686 CA SER D 157 0.529 59.324 -2.067 1.00 25.25 C +ATOM 687 C SER D 157 1.749 59.687 -2.883 1.00 20.84 C +ATOM 688 O SER D 157 2.338 58.827 -3.517 1.00 21.57 O +ATOM 689 CB SER D 157 -0.723 59.836 -2.810 1.00 26.57 C +ATOM 690 OG SER D 157 -1.863 59.870 -1.981 1.00 28.32 O +ATOM 691 N LYS D 158 2.113 60.966 -2.863 1.00 23.02 N +ATOM 692 CA LYS D 158 3.107 61.497 -3.796 1.00 25.10 C +ATOM 693 C LYS D 158 4.472 61.747 -3.178 1.00 28.33 C +ATOM 694 O LYS D 158 5.442 61.902 -3.913 1.00 23.79 O +ATOM 695 CB LYS D 158 2.596 62.775 -4.473 1.00 26.73 C +ATOM 696 CG LYS D 158 1.394 62.544 -5.389 1.00 35.14 C +ATOM 697 CD LYS D 158 1.798 61.936 -6.731 1.00 38.03 C +ATOM 698 CE LYS D 158 1.569 60.432 -6.745 1.00 42.47 C +ATOM 699 NZ LYS D 158 0.832 59.929 -7.958 1.00 42.54 N +ATOM 700 N GLY D 159 4.534 61.795 -1.843 1.00 26.16 N +ATOM 701 CA GLY D 159 5.786 61.990 -1.129 1.00 28.92 C +ATOM 702 C GLY D 159 6.163 63.438 -0.920 1.00 27.85 C +ATOM 703 O GLY D 159 5.734 64.313 -1.669 1.00 25.15 O +ATOM 704 N ARG D 160 6.982 63.687 0.101 1.00 29.66 N +ATOM 705 CA ARG D 160 7.488 65.027 0.396 1.00 30.01 C +ATOM 706 C ARG D 160 8.349 65.576 -0.739 1.00 29.74 C +ATOM 707 O ARG D 160 8.323 66.783 -1.032 1.00 28.46 O +ATOM 708 CB ARG D 160 8.278 65.011 1.701 1.00 40.13 C +ATOM 709 CG ARG D 160 8.325 66.336 2.431 1.00 54.93 C +ATOM 710 CD ARG D 160 9.214 66.348 3.681 1.00 64.74 C +ATOM 711 NE ARG D 160 9.227 65.063 4.386 1.00 71.02 N +ATOM 712 CZ ARG D 160 10.304 64.292 4.533 1.00 74.84 C +ATOM 713 NH1 ARG D 160 11.476 64.664 4.021 1.00 75.22 N +ATOM 714 NH2 ARG D 160 10.209 63.142 5.191 1.00 75.82 N +ATOM 715 N ASP D 161 9.097 64.698 -1.400 1.00 25.70 N +ATOM 716 CA ASP D 161 9.962 65.164 -2.472 1.00 31.63 C +ATOM 717 C ASP D 161 9.178 65.818 -3.598 1.00 31.34 C +ATOM 718 O ASP D 161 9.541 66.904 -4.068 1.00 29.52 O +ATOM 719 CB ASP D 161 10.830 64.031 -3.007 1.00 40.11 C +ATOM 720 CG ASP D 161 11.986 63.714 -2.092 1.00 46.17 C +ATOM 721 OD1 ASP D 161 12.000 64.223 -0.937 1.00 47.98 O +ATOM 722 OD2 ASP D 161 12.919 62.960 -2.443 1.00 48.28 O +ATOM 723 N PHE D 162 8.107 65.154 -4.026 1.00 27.42 N +ATOM 724 CA PHE D 162 7.274 65.667 -5.109 1.00 26.11 C +ATOM 725 C PHE D 162 6.727 67.032 -4.740 1.00 23.86 C +ATOM 726 O PHE D 162 6.803 67.962 -5.525 1.00 29.55 O +ATOM 727 CB PHE D 162 6.134 64.700 -5.409 1.00 26.97 C +ATOM 728 CG PHE D 162 5.114 65.237 -6.374 1.00 28.05 C +ATOM 729 CD1 PHE D 162 5.353 65.212 -7.752 1.00 25.85 C +ATOM 730 CD2 PHE D 162 3.906 65.759 -5.906 1.00 27.42 C +ATOM 731 CE1 PHE D 162 4.393 65.695 -8.648 1.00 31.70 C +ATOM 732 CE2 PHE D 162 2.939 66.246 -6.795 1.00 25.84 C +ATOM 733 CZ PHE D 162 3.181 66.219 -8.160 1.00 25.81 C +ATOM 734 N VAL D 163 6.194 67.150 -3.532 1.00 23.75 N +ATOM 735 CA VAL D 163 5.576 68.392 -3.080 1.00 28.01 C +ATOM 736 C VAL D 163 6.603 69.519 -2.971 1.00 33.00 C +ATOM 737 O VAL D 163 6.351 70.660 -3.402 1.00 31.86 O +ATOM 738 CB VAL D 163 4.865 68.180 -1.729 1.00 29.12 C +ATOM 739 CG1 VAL D 163 4.243 69.469 -1.231 1.00 29.67 C +ATOM 740 CG2 VAL D 163 3.806 67.088 -1.855 1.00 28.22 C +ATOM 741 N HIS D 164 7.758 69.188 -2.397 1.00 32.58 N +ATOM 742 CA HIS D 164 8.866 70.127 -2.269 1.00 36.53 C +ATOM 743 C HIS D 164 9.297 70.621 -3.644 1.00 34.33 C +ATOM 744 O HIS D 164 9.497 71.816 -3.840 1.00 38.12 O +ATOM 745 CB HIS D 164 10.043 69.467 -1.548 1.00 41.54 C +ATOM 746 CG HIS D 164 11.138 70.417 -1.180 1.00 50.65 C +ATOM 747 ND1 HIS D 164 12.213 70.671 -2.007 1.00 55.13 N +ATOM 748 CD2 HIS D 164 11.328 71.172 -0.071 1.00 54.32 C +ATOM 749 CE1 HIS D 164 13.014 71.546 -1.425 1.00 57.75 C +ATOM 750 NE2 HIS D 164 12.500 71.867 -0.251 1.00 57.66 N +ATOM 751 N SER D 165 9.410 69.703 -4.596 1.00 31.09 N +ATOM 752 CA SER D 165 9.836 70.059 -5.943 1.00 36.04 C +ATOM 753 C SER D 165 8.814 70.976 -6.631 1.00 39.12 C +ATOM 754 O SER D 165 9.190 71.930 -7.313 1.00 41.31 O +ATOM 755 CB SER D 165 10.116 68.802 -6.765 1.00 38.09 C +ATOM 756 OG SER D 165 9.240 68.711 -7.869 1.00 49.46 O +ATOM 757 N VAL D 166 7.527 70.699 -6.425 1.00 35.74 N +ATOM 758 CA VAL D 166 6.460 71.547 -6.953 1.00 33.87 C +ATOM 759 C VAL D 166 6.464 72.921 -6.276 1.00 36.90 C +ATOM 760 O VAL D 166 6.265 73.934 -6.940 1.00 37.45 O +ATOM 761 CB VAL D 166 5.078 70.858 -6.822 1.00 32.25 C +ATOM 762 CG1 VAL D 166 3.931 71.832 -7.109 1.00 26.47 C +ATOM 763 CG2 VAL D 166 5.014 69.658 -7.748 1.00 27.14 C +ATOM 764 N GLN D 167 6.703 72.946 -4.965 1.00 41.34 N +ATOM 765 CA GLN D 167 6.705 74.192 -4.198 1.00 49.39 C +ATOM 766 C GLN D 167 7.837 75.123 -4.617 1.00 58.35 C +ATOM 767 O GLN D 167 7.711 76.345 -4.516 1.00 60.79 O +ATOM 768 CB GLN D 167 6.804 73.917 -2.694 1.00 46.86 C +ATOM 769 CG GLN D 167 5.487 73.552 -2.020 1.00 44.17 C +ATOM 770 CD GLN D 167 4.483 74.692 -2.019 1.00 45.87 C +ATOM 771 OE1 GLN D 167 4.729 75.741 -1.424 1.00 49.56 O +ATOM 772 NE2 GLN D 167 3.348 74.486 -2.680 1.00 43.19 N +ATOM 773 N GLU D 168 8.935 74.540 -5.089 1.00 65.86 N +ATOM 774 CA GLU D 168 10.113 75.308 -5.476 1.00 74.34 C +ATOM 775 C GLU D 168 10.007 75.891 -6.885 1.00 77.69 C +ATOM 776 O GLU D 168 10.599 76.935 -7.172 1.00 80.27 O +ATOM 777 CB GLU D 168 11.381 74.468 -5.330 1.00 77.79 C +ATOM 778 CG GLU D 168 12.237 74.874 -4.142 1.00 81.73 C +ATOM 779 CD GLU D 168 13.540 74.099 -4.050 1.00 85.06 C +ATOM 780 OE1 GLU D 168 13.777 73.197 -4.892 1.00 86.21 O +ATOM 781 OE2 GLU D 168 14.329 74.396 -3.127 1.00 85.21 O +ATOM 782 N THR D 169 9.269 75.214 -7.764 1.00 79.81 N +ATOM 783 CA THR D 169 8.906 75.791 -9.055 1.00 82.28 C +ATOM 784 C THR D 169 7.713 76.724 -8.829 1.00 85.54 C +ATOM 785 O THR D 169 6.632 76.518 -9.383 1.00 86.04 O +ATOM 786 CB THR D 169 8.596 74.692 -10.113 1.00 82.34 C +ATOM 787 OG1 THR D 169 7.442 73.942 -9.718 1.00 84.35 O +ATOM 788 CG2 THR D 169 9.699 73.637 -10.160 1.00 81.77 C +ATOM 789 N HIS D 170 7.945 77.744 -7.996 1.00 90.33 N +ATOM 790 CA HIS D 170 6.930 78.680 -7.481 1.00 95.19 C +ATOM 791 C HIS D 170 5.527 78.560 -8.085 1.00 95.71 C +ATOM 792 O HIS D 170 4.637 77.945 -7.492 1.00 95.73 O +ATOM 793 CB HIS D 170 7.428 80.137 -7.561 1.00 98.85 C +ATOM 794 CG HIS D 170 8.361 80.406 -8.705 1.00101.76 C +ATOM 795 ND1 HIS D 170 7.930 80.513 -10.011 1.00102.38 N +ATOM 796 CD2 HIS D 170 9.703 80.596 -8.736 1.00102.45 C +ATOM 797 CE1 HIS D 170 8.965 80.753 -10.797 1.00102.42 C +ATOM 798 NE2 HIS D 170 10.053 80.808 -10.048 1.00102.47 N Added: SwiftApps/modFTdock/input/indata/1q02-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1q02-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1q02-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,795 @@ +ATOM 1 N GLY A 1 22.381 14.241 2.970 1.00 0.00 N +ATOM 2 CA GLY A 1 21.096 14.737 2.405 1.00 0.00 C +ATOM 3 C GLY A 1 19.937 13.907 2.963 1.00 0.00 C +ATOM 4 O GLY A 1 20.093 12.748 3.291 1.00 0.00 O +ATOM 5 H1 GLY A 1 22.233 13.933 3.952 1.00 0.00 H +ATOM 6 H2 GLY A 1 23.087 15.006 2.948 1.00 0.00 H +ATOM 7 H3 GLY A 1 22.722 13.437 2.406 1.00 0.00 H +ATOM 8 HA2 GLY A 1 20.960 15.775 2.675 1.00 0.00 H +ATOM 9 HA3 GLY A 1 21.115 14.644 1.330 1.00 0.00 H +ATOM 10 N SER A 2 18.775 14.490 3.073 1.00 0.00 N +ATOM 11 CA SER A 2 17.607 13.732 3.609 1.00 0.00 C +ATOM 12 C SER A 2 16.307 14.485 3.317 1.00 0.00 C +ATOM 13 O SER A 2 15.732 15.099 4.195 1.00 0.00 O +ATOM 14 CB SER A 2 17.848 13.643 5.115 1.00 0.00 C +ATOM 15 OG SER A 2 16.960 12.686 5.677 1.00 0.00 O +ATOM 16 H SER A 2 18.668 15.426 2.802 1.00 0.00 H +ATOM 17 HA SER A 2 17.573 12.743 3.182 1.00 0.00 H +ATOM 18 HB2 SER A 2 18.863 13.336 5.302 1.00 0.00 H +ATOM 19 HB3 SER A 2 17.679 14.613 5.564 1.00 0.00 H +ATOM 20 HG SER A 2 16.254 13.161 6.121 1.00 0.00 H +ATOM 21 N PRO A 3 15.886 14.410 2.083 1.00 0.00 N +ATOM 22 CA PRO A 3 14.638 15.093 1.661 1.00 0.00 C +ATOM 23 C PRO A 3 13.413 14.352 2.209 1.00 0.00 C +ATOM 24 O PRO A 3 13.251 13.170 1.983 1.00 0.00 O +ATOM 25 CB PRO A 3 14.686 15.012 0.138 1.00 0.00 C +ATOM 26 CG PRO A 3 15.550 13.827 -0.162 1.00 0.00 C +ATOM 27 CD PRO A 3 16.528 13.692 0.977 1.00 0.00 C +ATOM 28 HA PRO A 3 14.640 16.122 1.977 1.00 0.00 H +ATOM 29 HB2 PRO A 3 13.691 14.865 -0.259 1.00 0.00 H +ATOM 30 HB3 PRO A 3 15.129 15.905 -0.273 1.00 0.00 H +ATOM 31 HG2 PRO A 3 14.940 12.937 -0.236 1.00 0.00 H +ATOM 32 HG3 PRO A 3 16.086 13.986 -1.084 1.00 0.00 H +ATOM 33 HD2 PRO A 3 16.671 12.650 1.230 1.00 0.00 H +ATOM 34 HD3 PRO A 3 17.468 14.157 0.727 1.00 0.00 H +ATOM 35 N PRO A 4 12.588 15.079 2.915 1.00 0.00 N +ATOM 36 CA PRO A 4 11.363 14.484 3.502 1.00 0.00 C +ATOM 37 C PRO A 4 10.312 14.240 2.416 1.00 0.00 C +ATOM 38 O PRO A 4 9.228 13.760 2.684 1.00 0.00 O +ATOM 39 CB PRO A 4 10.887 15.547 4.487 1.00 0.00 C +ATOM 40 CG PRO A 4 11.447 16.835 3.972 1.00 0.00 C +ATOM 41 CD PRO A 4 12.717 16.506 3.231 1.00 0.00 C +ATOM 42 HA PRO A 4 11.593 13.571 4.024 1.00 0.00 H +ATOM 43 HB2 PRO A 4 9.807 15.584 4.506 1.00 0.00 H +ATOM 44 HB3 PRO A 4 11.275 15.345 5.475 1.00 0.00 H +ATOM 45 HG2 PRO A 4 10.737 17.301 3.302 1.00 0.00 H +ATOM 46 HG3 PRO A 4 11.668 17.498 4.794 1.00 0.00 H +ATOM 47 HD2 PRO A 4 12.788 17.093 2.325 1.00 0.00 H +ATOM 48 HD3 PRO A 4 13.578 16.671 3.860 1.00 0.00 H +ATOM 49 N GLU A 5 10.624 14.565 1.191 1.00 0.00 N +ATOM 50 CA GLU A 5 9.643 14.352 0.090 1.00 0.00 C +ATOM 51 C GLU A 5 10.030 13.126 -0.741 1.00 0.00 C +ATOM 52 O GLU A 5 9.871 13.106 -1.946 1.00 0.00 O +ATOM 53 CB GLU A 5 9.716 15.612 -0.756 1.00 0.00 C +ATOM 54 CG GLU A 5 8.345 16.290 -0.785 1.00 0.00 C +ATOM 55 CD GLU A 5 8.032 16.753 -2.210 1.00 0.00 C +ATOM 56 OE1 GLU A 5 8.773 16.389 -3.107 1.00 0.00 O +ATOM 57 OE2 GLU A 5 7.055 17.464 -2.378 1.00 0.00 O +ATOM 58 H GLU A 5 11.503 14.950 0.998 1.00 0.00 H +ATOM 59 HA GLU A 5 8.654 14.244 0.482 1.00 0.00 H +ATOM 60 HB2 GLU A 5 10.441 16.282 -0.329 1.00 0.00 H +ATOM 61 HB3 GLU A 5 10.006 15.350 -1.756 1.00 0.00 H +ATOM 62 HG2 GLU A 5 7.590 15.590 -0.460 1.00 0.00 H +ATOM 63 HG3 GLU A 5 8.352 17.145 -0.125 1.00 0.00 H +ATOM 64 N ALA A 6 10.537 12.105 -0.108 1.00 0.00 N +ATOM 65 CA ALA A 6 10.933 10.883 -0.865 1.00 0.00 C +ATOM 66 C ALA A 6 9.931 9.754 -0.612 1.00 0.00 C +ATOM 67 O ALA A 6 9.848 8.805 -1.366 1.00 0.00 O +ATOM 68 CB ALA A 6 12.312 10.509 -0.320 1.00 0.00 C +ATOM 69 H ALA A 6 10.657 12.140 0.863 1.00 0.00 H +ATOM 70 HA ALA A 6 11.000 11.099 -1.920 1.00 0.00 H +ATOM 71 HB1 ALA A 6 12.276 9.513 0.096 1.00 0.00 H +ATOM 72 HB2 ALA A 6 12.597 11.210 0.451 1.00 0.00 H +ATOM 73 HB3 ALA A 6 13.036 10.540 -1.120 1.00 0.00 H +ATOM 74 N ASP A 7 9.171 9.847 0.446 1.00 0.00 N +ATOM 75 CA ASP A 7 8.179 8.776 0.744 1.00 0.00 C +ATOM 76 C ASP A 7 8.883 7.418 0.819 1.00 0.00 C +ATOM 77 O ASP A 7 8.487 6.474 0.165 1.00 0.00 O +ATOM 78 CB ASP A 7 7.198 8.806 -0.428 1.00 0.00 C +ATOM 79 CG ASP A 7 5.805 9.181 0.079 1.00 0.00 C +ATOM 80 OD1 ASP A 7 5.719 9.732 1.164 1.00 0.00 O +ATOM 81 OD2 ASP A 7 4.846 8.910 -0.625 1.00 0.00 O +ATOM 82 H ASP A 7 9.255 10.619 1.044 1.00 0.00 H +ATOM 83 HA ASP A 7 7.661 8.985 1.667 1.00 0.00 H +ATOM 84 HB2 ASP A 7 7.526 9.537 -1.153 1.00 0.00 H +ATOM 85 HB3 ASP A 7 7.160 7.832 -0.891 1.00 0.00 H +ATOM 86 N PRO A 8 9.915 7.373 1.617 1.00 0.00 N +ATOM 87 CA PRO A 8 10.699 6.124 1.784 1.00 0.00 C +ATOM 88 C PRO A 8 9.910 5.093 2.596 1.00 0.00 C +ATOM 89 O PRO A 8 10.273 3.936 2.663 1.00 0.00 O +ATOM 90 CB PRO A 8 11.940 6.580 2.546 1.00 0.00 C +ATOM 91 CG PRO A 8 11.516 7.821 3.268 1.00 0.00 C +ATOM 92 CD PRO A 8 10.445 8.471 2.433 1.00 0.00 C +ATOM 93 HA PRO A 8 10.982 5.721 0.825 1.00 0.00 H +ATOM 94 HB2 PRO A 8 12.248 5.819 3.250 1.00 0.00 H +ATOM 95 HB3 PRO A 8 12.741 6.808 1.861 1.00 0.00 H +ATOM 96 HG2 PRO A 8 11.124 7.562 4.242 1.00 0.00 H +ATOM 97 HG3 PRO A 8 12.354 8.492 3.371 1.00 0.00 H +ATOM 98 HD2 PRO A 8 9.672 8.885 3.066 1.00 0.00 H +ATOM 99 HD3 PRO A 8 10.868 9.235 1.799 1.00 0.00 H +ATOM 100 N ARG A 9 8.836 5.500 3.218 1.00 0.00 N +ATOM 101 CA ARG A 9 8.038 4.543 4.023 1.00 0.00 C +ATOM 102 C ARG A 9 7.016 3.835 3.142 1.00 0.00 C +ATOM 103 O ARG A 9 6.469 2.812 3.504 1.00 0.00 O +ATOM 104 CB ARG A 9 7.347 5.407 5.076 1.00 0.00 C +ATOM 105 CG ARG A 9 6.649 6.590 4.401 1.00 0.00 C +ATOM 106 CD ARG A 9 7.413 7.880 4.712 1.00 0.00 C +ATOM 107 NE ARG A 9 6.429 8.749 5.416 1.00 0.00 N +ATOM 108 CZ ARG A 9 6.311 8.682 6.714 1.00 0.00 C +ATOM 109 NH1 ARG A 9 7.361 8.829 7.474 1.00 0.00 N +ATOM 110 NH2 ARG A 9 5.141 8.468 7.252 1.00 0.00 N +ATOM 111 H ARG A 9 8.556 6.433 3.161 1.00 0.00 H +ATOM 112 HA ARG A 9 8.681 3.824 4.493 1.00 0.00 H +ATOM 113 HB2 ARG A 9 6.620 4.816 5.593 1.00 0.00 H +ATOM 114 HB3 ARG A 9 8.080 5.776 5.777 1.00 0.00 H +ATOM 115 HG2 ARG A 9 6.627 6.433 3.332 1.00 0.00 H +ATOM 116 HG3 ARG A 9 5.641 6.673 4.773 1.00 0.00 H +ATOM 117 HD2 ARG A 9 8.259 7.669 5.353 1.00 0.00 H +ATOM 118 HD3 ARG A 9 7.739 8.354 3.799 1.00 0.00 H +ATOM 119 HE ARG A 9 5.872 9.371 4.904 1.00 0.00 H +ATOM 120 HH11 ARG A 9 8.258 8.995 7.062 1.00 0.00 H +ATOM 121 HH12 ARG A 9 7.270 8.777 8.469 1.00 0.00 H +ATOM 122 HH21 ARG A 9 4.336 8.355 6.670 1.00 0.00 H +ATOM 123 HH22 ARG A 9 5.050 8.417 8.246 1.00 0.00 H +ATOM 124 N LEU A 10 6.768 4.360 1.981 1.00 0.00 N +ATOM 125 CA LEU A 10 5.795 3.701 1.069 1.00 0.00 C +ATOM 126 C LEU A 10 6.446 2.445 0.492 1.00 0.00 C +ATOM 127 O LEU A 10 5.842 1.397 0.424 1.00 0.00 O +ATOM 128 CB LEU A 10 5.485 4.742 -0.020 1.00 0.00 C +ATOM 129 CG LEU A 10 5.233 4.056 -1.368 1.00 0.00 C +ATOM 130 CD1 LEU A 10 4.112 4.784 -2.110 1.00 0.00 C +ATOM 131 CD2 LEU A 10 6.512 4.102 -2.210 1.00 0.00 C +ATOM 132 H LEU A 10 7.232 5.175 1.706 1.00 0.00 H +ATOM 133 HA LEU A 10 4.894 3.445 1.605 1.00 0.00 H +ATOM 134 HB2 LEU A 10 4.602 5.299 0.264 1.00 0.00 H +ATOM 135 HB3 LEU A 10 6.321 5.421 -0.114 1.00 0.00 H +ATOM 136 HG LEU A 10 4.946 3.029 -1.202 1.00 0.00 H +ATOM 137 HD11 LEU A 10 3.328 5.042 -1.415 1.00 0.00 H +ATOM 138 HD12 LEU A 10 3.713 4.141 -2.881 1.00 0.00 H +ATOM 139 HD13 LEU A 10 4.504 5.685 -2.561 1.00 0.00 H +ATOM 140 HD21 LEU A 10 7.137 4.915 -1.871 1.00 0.00 H +ATOM 141 HD22 LEU A 10 6.255 4.254 -3.247 1.00 0.00 H +ATOM 142 HD23 LEU A 10 7.046 3.170 -2.104 1.00 0.00 H +ATOM 143 N ILE A 11 7.687 2.543 0.099 1.00 0.00 N +ATOM 144 CA ILE A 11 8.383 1.351 -0.450 1.00 0.00 C +ATOM 145 C ILE A 11 8.330 0.224 0.587 1.00 0.00 C +ATOM 146 O ILE A 11 8.054 -0.915 0.263 1.00 0.00 O +ATOM 147 CB ILE A 11 9.820 1.833 -0.730 1.00 0.00 C +ATOM 148 CG1 ILE A 11 10.050 1.879 -2.245 1.00 0.00 C +ATOM 149 CG2 ILE A 11 10.853 0.896 -0.095 1.00 0.00 C +ATOM 150 CD1 ILE A 11 9.820 0.489 -2.840 1.00 0.00 C +ATOM 151 H ILE A 11 8.165 3.394 0.179 1.00 0.00 H +ATOM 152 HA ILE A 11 7.911 1.035 -1.368 1.00 0.00 H +ATOM 153 HB ILE A 11 9.946 2.826 -0.324 1.00 0.00 H +ATOM 154 HG12 ILE A 11 9.361 2.581 -2.692 1.00 0.00 H +ATOM 155 HG13 ILE A 11 11.064 2.192 -2.446 1.00 0.00 H +ATOM 156 HG21 ILE A 11 10.809 0.991 0.979 1.00 0.00 H +ATOM 157 HG22 ILE A 11 11.841 1.161 -0.439 1.00 0.00 H +ATOM 158 HG23 ILE A 11 10.635 -0.124 -0.375 1.00 0.00 H +ATOM 159 HD11 ILE A 11 10.560 0.298 -3.605 1.00 0.00 H +ATOM 160 HD12 ILE A 11 8.833 0.442 -3.275 1.00 0.00 H +ATOM 161 HD13 ILE A 11 9.907 -0.255 -2.062 1.00 0.00 H +ATOM 162 N GLU A 12 8.577 0.532 1.834 1.00 0.00 N +ATOM 163 CA GLU A 12 8.520 -0.527 2.869 1.00 0.00 C +ATOM 164 C GLU A 12 7.176 -1.242 2.781 1.00 0.00 C +ATOM 165 O GLU A 12 7.106 -2.426 2.519 1.00 0.00 O +ATOM 166 CB GLU A 12 8.666 0.194 4.198 1.00 0.00 C +ATOM 167 CG GLU A 12 9.880 -0.355 4.951 1.00 0.00 C +ATOM 168 CD GLU A 12 10.464 0.741 5.844 1.00 0.00 C +ATOM 169 OE1 GLU A 12 10.246 1.902 5.542 1.00 0.00 O +ATOM 170 OE2 GLU A 12 11.121 0.400 6.813 1.00 0.00 O +ATOM 171 H GLU A 12 8.789 1.454 2.086 1.00 0.00 H +ATOM 172 HA GLU A 12 9.322 -1.216 2.741 1.00 0.00 H +ATOM 173 HB2 GLU A 12 8.798 1.246 4.017 1.00 0.00 H +ATOM 174 HB3 GLU A 12 7.781 0.035 4.785 1.00 0.00 H +ATOM 175 HG2 GLU A 12 9.576 -1.193 5.561 1.00 0.00 H +ATOM 176 HG3 GLU A 12 10.628 -0.676 4.242 1.00 0.00 H +ATOM 177 N SER A 13 6.102 -0.527 2.977 1.00 0.00 N +ATOM 178 CA SER A 13 4.772 -1.161 2.880 1.00 0.00 C +ATOM 179 C SER A 13 4.622 -1.786 1.494 1.00 0.00 C +ATOM 180 O SER A 13 4.095 -2.871 1.346 1.00 0.00 O +ATOM 181 CB SER A 13 3.778 -0.020 3.093 1.00 0.00 C +ATOM 182 OG SER A 13 3.255 -0.092 4.413 1.00 0.00 O +ATOM 183 H SER A 13 6.171 0.427 3.174 1.00 0.00 H +ATOM 184 HA SER A 13 4.661 -1.909 3.645 1.00 0.00 H +ATOM 185 HB2 SER A 13 4.281 0.924 2.964 1.00 0.00 H +ATOM 186 HB3 SER A 13 2.978 -0.099 2.372 1.00 0.00 H +ATOM 187 HG SER A 13 3.471 0.727 4.864 1.00 0.00 H +ATOM 188 N LEU A 14 5.108 -1.124 0.475 1.00 0.00 N +ATOM 189 CA LEU A 14 5.015 -1.710 -0.890 1.00 0.00 C +ATOM 190 C LEU A 14 5.857 -2.981 -0.944 1.00 0.00 C +ATOM 191 O LEU A 14 5.551 -3.914 -1.658 1.00 0.00 O +ATOM 192 CB LEU A 14 5.573 -0.651 -1.833 1.00 0.00 C +ATOM 193 CG LEU A 14 4.632 -0.525 -3.028 1.00 0.00 C +ATOM 194 CD1 LEU A 14 4.618 0.919 -3.515 1.00 0.00 C +ATOM 195 CD2 LEU A 14 5.111 -1.448 -4.146 1.00 0.00 C +ATOM 196 H LEU A 14 5.551 -0.258 0.612 1.00 0.00 H +ATOM 197 HA LEU A 14 3.992 -1.924 -1.149 1.00 0.00 H +ATOM 198 HB2 LEU A 14 5.639 0.296 -1.320 1.00 0.00 H +ATOM 199 HB3 LEU A 14 6.551 -0.949 -2.177 1.00 0.00 H +ATOM 200 HG LEU A 14 3.634 -0.810 -2.727 1.00 0.00 H +ATOM 201 HD11 LEU A 14 4.509 0.936 -4.588 1.00 0.00 H +ATOM 202 HD12 LEU A 14 5.542 1.401 -3.237 1.00 0.00 H +ATOM 203 HD13 LEU A 14 3.789 1.439 -3.060 1.00 0.00 H +ATOM 204 HD21 LEU A 14 5.110 -2.468 -3.789 1.00 0.00 H +ATOM 205 HD22 LEU A 14 6.111 -1.169 -4.442 1.00 0.00 H +ATOM 206 HD23 LEU A 14 4.447 -1.364 -4.994 1.00 0.00 H +ATOM 207 N SER A 15 6.916 -3.026 -0.179 1.00 0.00 N +ATOM 208 CA SER A 15 7.771 -4.235 -0.173 1.00 0.00 C +ATOM 209 C SER A 15 6.985 -5.421 0.384 1.00 0.00 C +ATOM 210 O SER A 15 7.029 -6.511 -0.150 1.00 0.00 O +ATOM 211 CB SER A 15 8.947 -3.887 0.738 1.00 0.00 C +ATOM 212 OG SER A 15 10.127 -4.503 0.237 1.00 0.00 O +ATOM 213 H SER A 15 7.146 -2.269 0.392 1.00 0.00 H +ATOM 214 HA SER A 15 8.120 -4.445 -1.165 1.00 0.00 H +ATOM 215 HB2 SER A 15 9.086 -2.820 0.760 1.00 0.00 H +ATOM 216 HB3 SER A 15 8.741 -4.241 1.740 1.00 0.00 H +ATOM 217 HG SER A 15 10.816 -3.836 0.202 1.00 0.00 H +ATOM 218 N GLN A 16 6.265 -5.223 1.457 1.00 0.00 N +ATOM 219 CA GLN A 16 5.488 -6.338 2.034 1.00 0.00 C +ATOM 220 C GLN A 16 4.364 -6.743 1.080 1.00 0.00 C +ATOM 221 O GLN A 16 3.954 -7.885 1.042 1.00 0.00 O +ATOM 222 CB GLN A 16 4.958 -5.789 3.365 1.00 0.00 C +ATOM 223 CG GLN A 16 3.609 -5.090 3.166 1.00 0.00 C +ATOM 224 CD GLN A 16 2.476 -6.067 3.487 1.00 0.00 C +ATOM 225 OE1 GLN A 16 2.288 -6.445 4.626 1.00 0.00 O +ATOM 226 NE2 GLN A 16 1.706 -6.493 2.524 1.00 0.00 N +ATOM 227 H GLN A 16 6.235 -4.346 1.885 1.00 0.00 H +ATOM 228 HA GLN A 16 6.135 -7.176 2.210 1.00 0.00 H +ATOM 229 HB2 GLN A 16 4.842 -6.600 4.059 1.00 0.00 H +ATOM 230 HB3 GLN A 16 5.668 -5.079 3.763 1.00 0.00 H +ATOM 231 HG2 GLN A 16 3.548 -4.238 3.827 1.00 0.00 H +ATOM 232 HG3 GLN A 16 3.519 -4.759 2.144 1.00 0.00 H +ATOM 233 HE21 GLN A 16 1.857 -6.187 1.605 1.00 0.00 H +ATOM 234 HE22 GLN A 16 0.977 -7.117 2.720 1.00 0.00 H +ATOM 235 N MET A 17 3.879 -5.827 0.290 1.00 0.00 N +ATOM 236 CA MET A 17 2.811 -6.185 -0.668 1.00 0.00 C +ATOM 237 C MET A 17 3.445 -6.902 -1.854 1.00 0.00 C +ATOM 238 O MET A 17 2.807 -7.667 -2.549 1.00 0.00 O +ATOM 239 CB MET A 17 2.200 -4.856 -1.087 1.00 0.00 C +ATOM 240 CG MET A 17 1.083 -4.485 -0.118 1.00 0.00 C +ATOM 241 SD MET A 17 0.283 -2.972 -0.690 1.00 0.00 S +ATOM 242 CE MET A 17 1.734 -1.895 -0.609 1.00 0.00 C +ATOM 243 H MET A 17 4.229 -4.912 0.313 1.00 0.00 H +ATOM 244 HA MET A 17 2.068 -6.808 -0.196 1.00 0.00 H +ATOM 245 HB2 MET A 17 2.957 -4.091 -1.078 1.00 0.00 H +ATOM 246 HB3 MET A 17 1.798 -4.945 -2.077 1.00 0.00 H +ATOM 247 HG2 MET A 17 0.358 -5.285 -0.079 1.00 0.00 H +ATOM 248 HG3 MET A 17 1.497 -4.325 0.867 1.00 0.00 H +ATOM 249 HE1 MET A 17 1.450 -0.940 -0.188 1.00 0.00 H +ATOM 250 HE2 MET A 17 2.128 -1.746 -1.601 1.00 0.00 H +ATOM 251 HE3 MET A 17 2.491 -2.358 0.011 1.00 0.00 H +ATOM 252 N LEU A 18 4.713 -6.672 -2.075 1.00 0.00 N +ATOM 253 CA LEU A 18 5.401 -7.358 -3.197 1.00 0.00 C +ATOM 254 C LEU A 18 5.481 -8.846 -2.885 1.00 0.00 C +ATOM 255 O LEU A 18 5.490 -9.684 -3.765 1.00 0.00 O +ATOM 256 CB LEU A 18 6.796 -6.737 -3.262 1.00 0.00 C +ATOM 257 CG LEU A 18 7.685 -7.571 -4.185 1.00 0.00 C +ATOM 258 CD1 LEU A 18 8.283 -6.672 -5.269 1.00 0.00 C +ATOM 259 CD2 LEU A 18 8.813 -8.207 -3.370 1.00 0.00 C +ATOM 260 H LEU A 18 5.213 -6.063 -1.490 1.00 0.00 H +ATOM 261 HA LEU A 18 4.873 -7.196 -4.115 1.00 0.00 H +ATOM 262 HB2 LEU A 18 6.724 -5.729 -3.644 1.00 0.00 H +ATOM 263 HB3 LEU A 18 7.227 -6.717 -2.272 1.00 0.00 H +ATOM 264 HG LEU A 18 7.092 -8.346 -4.649 1.00 0.00 H +ATOM 265 HD11 LEU A 18 9.236 -7.072 -5.583 1.00 0.00 H +ATOM 266 HD12 LEU A 18 8.425 -5.678 -4.871 1.00 0.00 H +ATOM 267 HD13 LEU A 18 7.612 -6.630 -6.113 1.00 0.00 H +ATOM 268 HD21 LEU A 18 9.444 -8.789 -4.023 1.00 0.00 H +ATOM 269 HD22 LEU A 18 8.391 -8.848 -2.610 1.00 0.00 H +ATOM 270 HD23 LEU A 18 9.399 -7.429 -2.901 1.00 0.00 H +ATOM 271 N SER A 19 5.517 -9.174 -1.627 1.00 0.00 N +ATOM 272 CA SER A 19 5.570 -10.608 -1.233 1.00 0.00 C +ATOM 273 C SER A 19 4.179 -11.058 -0.793 1.00 0.00 C +ATOM 274 O SER A 19 4.020 -12.033 -0.084 1.00 0.00 O +ATOM 275 CB SER A 19 6.557 -10.671 -0.068 1.00 0.00 C +ATOM 276 OG SER A 19 7.855 -10.323 -0.534 1.00 0.00 O +ATOM 277 H SER A 19 5.492 -8.471 -0.939 1.00 0.00 H +ATOM 278 HA SER A 19 5.919 -11.213 -2.054 1.00 0.00 H +ATOM 279 HB2 SER A 19 6.258 -9.976 0.698 1.00 0.00 H +ATOM 280 HB3 SER A 19 6.566 -11.673 0.341 1.00 0.00 H +ATOM 281 HG SER A 19 8.439 -10.275 0.226 1.00 0.00 H +ATOM 282 N MET A 20 3.170 -10.345 -1.209 1.00 0.00 N +ATOM 283 CA MET A 20 1.782 -10.711 -0.823 1.00 0.00 C +ATOM 284 C MET A 20 1.060 -11.382 -1.985 1.00 0.00 C +ATOM 285 O MET A 20 0.661 -12.528 -1.914 1.00 0.00 O +ATOM 286 CB MET A 20 1.115 -9.391 -0.472 1.00 0.00 C +ATOM 287 CG MET A 20 0.810 -9.355 1.025 1.00 0.00 C +ATOM 288 SD MET A 20 -0.705 -10.288 1.356 1.00 0.00 S +ATOM 289 CE MET A 20 0.085 -11.783 1.997 1.00 0.00 C +ATOM 290 H MET A 20 3.328 -9.562 -1.777 1.00 0.00 H +ATOM 291 HA MET A 20 1.782 -11.338 0.026 1.00 0.00 H +ATOM 292 HB2 MET A 20 1.778 -8.584 -0.724 1.00 0.00 H +ATOM 293 HB3 MET A 20 0.197 -9.296 -1.027 1.00 0.00 H +ATOM 294 HG2 MET A 20 1.631 -9.797 1.572 1.00 0.00 H +ATOM 295 HG3 MET A 20 0.679 -8.332 1.341 1.00 0.00 H +ATOM 296 HE1 MET A 20 1.158 -11.700 1.884 1.00 0.00 H +ATOM 297 HE2 MET A 20 -0.265 -12.641 1.446 1.00 0.00 H +ATOM 298 HE3 MET A 20 -0.164 -11.902 3.042 1.00 0.00 H +ATOM 299 N GLY A 21 0.870 -10.659 -3.041 1.00 0.00 N +ATOM 300 CA GLY A 21 0.156 -11.206 -4.213 1.00 0.00 C +ATOM 301 C GLY A 21 -1.039 -10.312 -4.454 1.00 0.00 C +ATOM 302 O GLY A 21 -2.152 -10.756 -4.653 1.00 0.00 O +ATOM 303 H GLY A 21 1.178 -9.743 -3.053 1.00 0.00 H +ATOM 304 HA2 GLY A 21 0.802 -11.206 -5.075 1.00 0.00 H +ATOM 305 HA3 GLY A 21 -0.173 -12.189 -3.997 1.00 0.00 H +ATOM 306 N PHE A 22 -0.807 -9.043 -4.380 1.00 0.00 N +ATOM 307 CA PHE A 22 -1.901 -8.070 -4.536 1.00 0.00 C +ATOM 308 C PHE A 22 -2.093 -7.619 -5.975 1.00 0.00 C +ATOM 309 O PHE A 22 -1.429 -8.060 -6.892 1.00 0.00 O +ATOM 310 CB PHE A 22 -1.486 -6.903 -3.658 1.00 0.00 C +ATOM 311 CG PHE A 22 -1.905 -7.202 -2.251 1.00 0.00 C +ATOM 312 CD1 PHE A 22 -3.193 -7.674 -2.005 1.00 0.00 C +ATOM 313 CD2 PHE A 22 -1.005 -7.021 -1.197 1.00 0.00 C +ATOM 314 CE1 PHE A 22 -3.590 -7.958 -0.699 1.00 0.00 C +ATOM 315 CE2 PHE A 22 -1.404 -7.307 0.111 1.00 0.00 C +ATOM 316 CZ PHE A 22 -2.701 -7.774 0.357 1.00 0.00 C +ATOM 317 H PHE A 22 0.095 -8.731 -4.178 1.00 0.00 H +ATOM 318 HA PHE A 22 -2.817 -8.489 -4.159 1.00 0.00 H +ATOM 319 HB2 PHE A 22 -0.418 -6.768 -3.697 1.00 0.00 H +ATOM 320 HB3 PHE A 22 -1.973 -6.012 -3.999 1.00 0.00 H +ATOM 321 HD1 PHE A 22 -3.888 -7.804 -2.824 1.00 0.00 H +ATOM 322 HD2 PHE A 22 -0.005 -6.665 -1.392 1.00 0.00 H +ATOM 323 HE1 PHE A 22 -4.578 -8.326 -0.506 1.00 0.00 H +ATOM 324 HE2 PHE A 22 -0.714 -7.163 0.926 1.00 0.00 H +ATOM 325 HZ PHE A 22 -3.020 -7.988 1.361 1.00 0.00 H +ATOM 326 N SER A 23 -3.034 -6.744 -6.154 1.00 0.00 N +ATOM 327 CA SER A 23 -3.359 -6.225 -7.498 1.00 0.00 C +ATOM 328 C SER A 23 -2.851 -4.796 -7.678 1.00 0.00 C +ATOM 329 O SER A 23 -1.956 -4.345 -6.990 1.00 0.00 O +ATOM 330 CB SER A 23 -4.885 -6.236 -7.553 1.00 0.00 C +ATOM 331 OG SER A 23 -5.320 -7.236 -8.466 1.00 0.00 O +ATOM 332 H SER A 23 -3.540 -6.441 -5.389 1.00 0.00 H +ATOM 333 HA SER A 23 -2.960 -6.870 -8.246 1.00 0.00 H +ATOM 334 HB2 SER A 23 -5.281 -6.449 -6.575 1.00 0.00 H +ATOM 335 HB3 SER A 23 -5.237 -5.264 -7.869 1.00 0.00 H +ATOM 336 HG SER A 23 -5.859 -7.865 -7.982 1.00 0.00 H +ATOM 337 N ASP A 24 -3.430 -4.084 -8.606 1.00 0.00 N +ATOM 338 CA ASP A 24 -3.010 -2.681 -8.854 1.00 0.00 C +ATOM 339 C ASP A 24 -3.918 -2.053 -9.916 1.00 0.00 C +ATOM 340 O ASP A 24 -3.470 -1.304 -10.761 1.00 0.00 O +ATOM 341 CB ASP A 24 -1.576 -2.787 -9.362 1.00 0.00 C +ATOM 342 CG ASP A 24 -0.765 -1.591 -8.861 1.00 0.00 C +ATOM 343 OD1 ASP A 24 -1.279 -0.856 -8.035 1.00 0.00 O +ATOM 344 OD2 ASP A 24 0.358 -1.431 -9.313 1.00 0.00 O +ATOM 345 H ASP A 24 -4.148 -4.476 -9.142 1.00 0.00 H +ATOM 346 HA ASP A 24 -3.041 -2.108 -7.941 1.00 0.00 H +ATOM 347 HB2 ASP A 24 -1.134 -3.701 -8.997 1.00 0.00 H +ATOM 348 HB3 ASP A 24 -1.577 -2.794 -10.442 1.00 0.00 H +ATOM 349 N GLU A 25 -5.193 -2.359 -9.877 1.00 0.00 N +ATOM 350 CA GLU A 25 -6.140 -1.785 -10.880 1.00 0.00 C +ATOM 351 C GLU A 25 -5.781 -0.332 -11.161 1.00 0.00 C +ATOM 352 O GLU A 25 -5.276 0.011 -12.212 1.00 0.00 O +ATOM 353 CB GLU A 25 -7.519 -1.880 -10.228 1.00 0.00 C +ATOM 354 CG GLU A 25 -7.964 -3.343 -10.183 1.00 0.00 C +ATOM 355 CD GLU A 25 -8.486 -3.760 -11.559 1.00 0.00 C +ATOM 356 OE1 GLU A 25 -9.351 -3.073 -12.077 1.00 0.00 O +ATOM 357 OE2 GLU A 25 -8.013 -4.761 -12.072 1.00 0.00 O +ATOM 358 H GLU A 25 -5.527 -2.968 -9.185 1.00 0.00 H +ATOM 359 HA GLU A 25 -6.122 -2.352 -11.785 1.00 0.00 H +ATOM 360 HB2 GLU A 25 -7.469 -1.487 -9.222 1.00 0.00 H +ATOM 361 HB3 GLU A 25 -8.230 -1.306 -10.803 1.00 0.00 H +ATOM 362 HG2 GLU A 25 -7.123 -3.966 -9.912 1.00 0.00 H +ATOM 363 HG3 GLU A 25 -8.750 -3.458 -9.452 1.00 0.00 H +ATOM 364 N GLY A 26 -6.019 0.513 -10.212 1.00 0.00 N +ATOM 365 CA GLY A 26 -5.678 1.951 -10.385 1.00 0.00 C +ATOM 366 C GLY A 26 -4.239 2.170 -9.914 1.00 0.00 C +ATOM 367 O GLY A 26 -3.918 3.172 -9.307 1.00 0.00 O +ATOM 368 H GLY A 26 -6.411 0.196 -9.377 1.00 0.00 H +ATOM 369 HA2 GLY A 26 -5.767 2.223 -11.428 1.00 0.00 H +ATOM 370 HA3 GLY A 26 -6.345 2.557 -9.792 1.00 0.00 H +ATOM 371 N GLY A 27 -3.373 1.230 -10.188 1.00 0.00 N +ATOM 372 CA GLY A 27 -1.957 1.368 -9.758 1.00 0.00 C +ATOM 373 C GLY A 27 -1.907 1.857 -8.311 1.00 0.00 C +ATOM 374 O GLY A 27 -1.179 2.773 -7.985 1.00 0.00 O +ATOM 375 H GLY A 27 -3.654 0.433 -10.675 1.00 0.00 H +ATOM 376 HA2 GLY A 27 -1.463 0.410 -9.835 1.00 0.00 H +ATOM 377 HA3 GLY A 27 -1.459 2.081 -10.393 1.00 0.00 H +ATOM 378 N TRP A 28 -2.682 1.267 -7.437 1.00 0.00 N +ATOM 379 CA TRP A 28 -2.670 1.721 -6.030 1.00 0.00 C +ATOM 380 C TRP A 28 -1.498 1.117 -5.261 1.00 0.00 C +ATOM 381 O TRP A 28 -1.085 1.647 -4.256 1.00 0.00 O +ATOM 382 CB TRP A 28 -4.008 1.269 -5.447 1.00 0.00 C +ATOM 383 CG TRP A 28 -4.159 -0.211 -5.503 1.00 0.00 C +ATOM 384 CD1 TRP A 28 -5.048 -0.859 -6.271 1.00 0.00 C +ATOM 385 CD2 TRP A 28 -3.455 -1.222 -4.756 1.00 0.00 C +ATOM 386 NE1 TRP A 28 -4.920 -2.222 -6.058 1.00 0.00 N +ATOM 387 CE2 TRP A 28 -3.947 -2.493 -5.127 1.00 0.00 C +ATOM 388 CE3 TRP A 28 -2.443 -1.160 -3.807 1.00 0.00 C +ATOM 389 CZ2 TRP A 28 -3.445 -3.662 -4.566 1.00 0.00 C +ATOM 390 CZ3 TRP A 28 -1.940 -2.313 -3.242 1.00 0.00 C +ATOM 391 CH2 TRP A 28 -2.431 -3.569 -3.612 1.00 0.00 C +ATOM 392 H TRP A 28 -3.275 0.538 -7.705 1.00 0.00 H +ATOM 393 HA TRP A 28 -2.613 2.797 -5.996 1.00 0.00 H +ATOM 394 HB2 TRP A 28 -4.076 1.589 -4.436 1.00 0.00 H +ATOM 395 HB3 TRP A 28 -4.798 1.714 -6.001 1.00 0.00 H +ATOM 396 HD1 TRP A 28 -5.737 -0.388 -6.938 1.00 0.00 H +ATOM 397 HE1 TRP A 28 -5.445 -2.924 -6.500 1.00 0.00 H +ATOM 398 HE3 TRP A 28 -2.045 -0.212 -3.507 1.00 0.00 H +ATOM 399 HZ2 TRP A 28 -3.835 -4.625 -4.866 1.00 0.00 H +ATOM 400 HZ3 TRP A 28 -1.173 -2.228 -2.516 1.00 0.00 H +ATOM 401 HH2 TRP A 28 -2.028 -4.459 -3.155 1.00 0.00 H +ATOM 402 N LEU A 29 -0.936 0.028 -5.703 1.00 0.00 N +ATOM 403 CA LEU A 29 0.211 -0.530 -4.939 1.00 0.00 C +ATOM 404 C LEU A 29 1.199 0.604 -4.640 1.00 0.00 C +ATOM 405 O LEU A 29 1.950 0.556 -3.687 1.00 0.00 O +ATOM 406 CB LEU A 29 0.822 -1.604 -5.841 1.00 0.00 C +ATOM 407 CG LEU A 29 0.489 -2.988 -5.264 1.00 0.00 C +ATOM 408 CD1 LEU A 29 1.207 -4.079 -6.058 1.00 0.00 C +ATOM 409 CD2 LEU A 29 0.943 -3.060 -3.804 1.00 0.00 C +ATOM 410 H LEU A 29 -1.252 -0.408 -6.520 1.00 0.00 H +ATOM 411 HA LEU A 29 -0.135 -0.974 -4.018 1.00 0.00 H +ATOM 412 HB2 LEU A 29 0.408 -1.518 -6.835 1.00 0.00 H +ATOM 413 HB3 LEU A 29 1.889 -1.477 -5.881 1.00 0.00 H +ATOM 414 HG LEU A 29 -0.577 -3.151 -5.317 1.00 0.00 H +ATOM 415 HD11 LEU A 29 2.231 -3.789 -6.228 1.00 0.00 H +ATOM 416 HD12 LEU A 29 0.709 -4.222 -7.006 1.00 0.00 H +ATOM 417 HD13 LEU A 29 1.183 -5.005 -5.496 1.00 0.00 H +ATOM 418 HD21 LEU A 29 1.260 -2.082 -3.475 1.00 0.00 H +ATOM 419 HD22 LEU A 29 1.766 -3.755 -3.718 1.00 0.00 H +ATOM 420 HD23 LEU A 29 0.122 -3.399 -3.190 1.00 0.00 H +ATOM 421 N THR A 30 1.173 1.643 -5.440 1.00 0.00 N +ATOM 422 CA THR A 30 2.076 2.807 -5.201 1.00 0.00 C +ATOM 423 C THR A 30 1.296 3.953 -4.533 1.00 0.00 C +ATOM 424 O THR A 30 1.758 4.566 -3.591 1.00 0.00 O +ATOM 425 CB THR A 30 2.561 3.225 -6.590 1.00 0.00 C +ATOM 426 OG1 THR A 30 3.536 2.299 -7.046 1.00 0.00 O +ATOM 427 CG2 THR A 30 3.174 4.625 -6.523 1.00 0.00 C +ATOM 428 H THR A 30 0.543 1.665 -6.189 1.00 0.00 H +ATOM 429 HA THR A 30 2.915 2.515 -4.589 1.00 0.00 H +ATOM 430 HB THR A 30 1.727 3.235 -7.275 1.00 0.00 H +ATOM 431 HG1 THR A 30 3.243 1.417 -6.806 1.00 0.00 H +ATOM 432 HG21 THR A 30 4.146 4.615 -6.996 1.00 0.00 H +ATOM 433 HG22 THR A 30 3.281 4.922 -5.490 1.00 0.00 H +ATOM 434 HG23 THR A 30 2.531 5.325 -7.035 1.00 0.00 H +ATOM 435 N ARG A 31 0.117 4.248 -5.024 1.00 0.00 N +ATOM 436 CA ARG A 31 -0.700 5.356 -4.432 1.00 0.00 C +ATOM 437 C ARG A 31 -1.509 4.851 -3.236 1.00 0.00 C +ATOM 438 O ARG A 31 -1.744 5.581 -2.294 1.00 0.00 O +ATOM 439 CB ARG A 31 -1.632 5.802 -5.562 1.00 0.00 C +ATOM 440 CG ARG A 31 -2.742 6.689 -4.994 1.00 0.00 C +ATOM 441 CD ARG A 31 -4.103 6.045 -5.276 1.00 0.00 C +ATOM 442 NE ARG A 31 -5.064 7.182 -5.323 1.00 0.00 N +ATOM 443 CZ ARG A 31 -5.353 7.746 -6.464 1.00 0.00 C +ATOM 444 NH1 ARG A 31 -6.098 7.118 -7.332 1.00 0.00 N +ATOM 445 NH2 ARG A 31 -4.897 8.938 -6.736 1.00 0.00 N +ATOM 446 H ARG A 31 -0.231 3.741 -5.787 1.00 0.00 H +ATOM 447 HA ARG A 31 -0.068 6.182 -4.130 1.00 0.00 H +ATOM 448 HB2 ARG A 31 -1.066 6.358 -6.295 1.00 0.00 H +ATOM 449 HB3 ARG A 31 -2.071 4.933 -6.029 1.00 0.00 H +ATOM 450 HG2 ARG A 31 -2.608 6.797 -3.928 1.00 0.00 H +ATOM 451 HG3 ARG A 31 -2.702 7.660 -5.463 1.00 0.00 H +ATOM 452 HD2 ARG A 31 -4.082 5.527 -6.226 1.00 0.00 H +ATOM 453 HD3 ARG A 31 -4.370 5.366 -4.482 1.00 0.00 H +ATOM 454 HE ARG A 31 -5.480 7.506 -4.497 1.00 0.00 H +ATOM 455 HH11 ARG A 31 -6.448 6.205 -7.124 1.00 0.00 H +ATOM 456 HH12 ARG A 31 -6.318 7.550 -8.208 1.00 0.00 H +ATOM 457 HH21 ARG A 31 -4.326 9.419 -6.070 1.00 0.00 H +ATOM 458 HH22 ARG A 31 -5.119 9.371 -7.610 1.00 0.00 H +ATOM 459 N LEU A 32 -1.935 3.611 -3.260 1.00 0.00 N +ATOM 460 CA LEU A 32 -2.718 3.067 -2.110 1.00 0.00 C +ATOM 461 C LEU A 32 -2.101 3.580 -0.811 1.00 0.00 C +ATOM 462 O LEU A 32 -2.703 4.330 -0.078 1.00 0.00 O +ATOM 463 CB LEU A 32 -2.568 1.554 -2.176 1.00 0.00 C +ATOM 464 CG LEU A 32 -3.183 0.923 -0.925 1.00 0.00 C +ATOM 465 CD1 LEU A 32 -4.648 0.579 -1.194 1.00 0.00 C +ATOM 466 CD2 LEU A 32 -2.417 -0.353 -0.572 1.00 0.00 C +ATOM 467 H LEU A 32 -1.732 3.041 -4.027 1.00 0.00 H +ATOM 468 HA LEU A 32 -3.761 3.338 -2.201 1.00 0.00 H +ATOM 469 HB2 LEU A 32 -3.077 1.184 -3.049 1.00 0.00 H +ATOM 470 HB3 LEU A 32 -1.522 1.296 -2.230 1.00 0.00 H +ATOM 471 HG LEU A 32 -3.123 1.620 -0.102 1.00 0.00 H +ATOM 472 HD11 LEU A 32 -4.957 -0.219 -0.536 1.00 0.00 H +ATOM 473 HD12 LEU A 32 -4.761 0.265 -2.221 1.00 0.00 H +ATOM 474 HD13 LEU A 32 -5.259 1.451 -1.015 1.00 0.00 H +ATOM 475 HD21 LEU A 32 -3.092 -1.063 -0.117 1.00 0.00 H +ATOM 476 HD22 LEU A 32 -1.624 -0.117 0.122 1.00 0.00 H +ATOM 477 HD23 LEU A 32 -1.996 -0.781 -1.469 1.00 0.00 H +ATOM 478 N LEU A 33 -0.876 3.195 -0.550 1.00 0.00 N +ATOM 479 CA LEU A 33 -0.178 3.674 0.674 1.00 0.00 C +ATOM 480 C LEU A 33 -0.475 5.159 0.852 1.00 0.00 C +ATOM 481 O LEU A 33 -0.966 5.599 1.873 1.00 0.00 O +ATOM 482 CB LEU A 33 1.309 3.467 0.364 1.00 0.00 C +ATOM 483 CG LEU A 33 1.916 2.400 1.280 1.00 0.00 C +ATOM 484 CD1 LEU A 33 0.925 1.252 1.486 1.00 0.00 C +ATOM 485 CD2 LEU A 33 3.187 1.851 0.631 1.00 0.00 C +ATOM 486 H LEU A 33 -0.405 2.609 -1.177 1.00 0.00 H +ATOM 487 HA LEU A 33 -0.472 3.108 1.542 1.00 0.00 H +ATOM 488 HB2 LEU A 33 1.415 3.154 -0.664 1.00 0.00 H +ATOM 489 HB3 LEU A 33 1.833 4.399 0.507 1.00 0.00 H +ATOM 490 HG LEU A 33 2.162 2.840 2.234 1.00 0.00 H +ATOM 491 HD11 LEU A 33 1.432 0.311 1.336 1.00 0.00 H +ATOM 492 HD12 LEU A 33 0.116 1.344 0.775 1.00 0.00 H +ATOM 493 HD13 LEU A 33 0.531 1.294 2.490 1.00 0.00 H +ATOM 494 HD21 LEU A 33 3.471 2.485 -0.196 1.00 0.00 H +ATOM 495 HD22 LEU A 33 3.004 0.850 0.269 1.00 0.00 H +ATOM 496 HD23 LEU A 33 3.984 1.831 1.358 1.00 0.00 H +ATOM 497 N GLN A 34 -0.184 5.924 -0.157 1.00 0.00 N +ATOM 498 CA GLN A 34 -0.441 7.377 -0.109 1.00 0.00 C +ATOM 499 C GLN A 34 -1.914 7.647 0.225 1.00 0.00 C +ATOM 500 O GLN A 34 -2.233 8.525 1.002 1.00 0.00 O +ATOM 501 CB GLN A 34 -0.099 7.838 -1.522 1.00 0.00 C +ATOM 502 CG GLN A 34 1.347 8.328 -1.562 1.00 0.00 C +ATOM 503 CD GLN A 34 1.434 9.612 -2.390 1.00 0.00 C +ATOM 504 OE1 GLN A 34 1.078 10.676 -1.924 1.00 0.00 O +ATOM 505 NE2 GLN A 34 1.897 9.556 -3.610 1.00 0.00 N +ATOM 506 H GLN A 34 0.204 5.538 -0.964 1.00 0.00 H +ATOM 507 HA GLN A 34 0.210 7.851 0.602 1.00 0.00 H +ATOM 508 HB2 GLN A 34 -0.214 7.009 -2.206 1.00 0.00 H +ATOM 509 HB3 GLN A 34 -0.758 8.630 -1.812 1.00 0.00 H +ATOM 510 HG2 GLN A 34 1.686 8.521 -0.556 1.00 0.00 H +ATOM 511 HG3 GLN A 34 1.972 7.570 -2.012 1.00 0.00 H +ATOM 512 HE21 GLN A 34 2.184 8.697 -3.985 1.00 0.00 H +ATOM 513 HE22 GLN A 34 1.958 10.370 -4.150 1.00 0.00 H +ATOM 514 N THR A 35 -2.813 6.898 -0.359 1.00 0.00 N +ATOM 515 CA THR A 35 -4.259 7.107 -0.084 1.00 0.00 C +ATOM 516 C THR A 35 -4.657 6.457 1.245 1.00 0.00 C +ATOM 517 O THR A 35 -5.284 7.068 2.086 1.00 0.00 O +ATOM 518 CB THR A 35 -4.992 6.435 -1.243 1.00 0.00 C +ATOM 519 OG1 THR A 35 -4.051 5.876 -2.149 1.00 0.00 O +ATOM 520 CG2 THR A 35 -5.855 7.466 -1.972 1.00 0.00 C +ATOM 521 H THR A 35 -2.539 6.202 -0.982 1.00 0.00 H +ATOM 522 HA THR A 35 -4.484 8.148 -0.074 1.00 0.00 H +ATOM 523 HB THR A 35 -5.623 5.659 -0.854 1.00 0.00 H +ATOM 524 HG1 THR A 35 -4.449 5.097 -2.546 1.00 0.00 H +ATOM 525 HG21 THR A 35 -6.648 7.797 -1.318 1.00 0.00 H +ATOM 526 HG22 THR A 35 -6.281 7.016 -2.856 1.00 0.00 H +ATOM 527 HG23 THR A 35 -5.244 8.310 -2.255 1.00 0.00 H +ATOM 528 N LYS A 36 -4.297 5.217 1.434 1.00 0.00 N +ATOM 529 CA LYS A 36 -4.647 4.514 2.698 1.00 0.00 C +ATOM 530 C LYS A 36 -3.567 4.763 3.751 1.00 0.00 C +ATOM 531 O LYS A 36 -3.192 3.876 4.486 1.00 0.00 O +ATOM 532 CB LYS A 36 -4.699 3.031 2.325 1.00 0.00 C +ATOM 533 CG LYS A 36 -5.837 2.352 3.088 1.00 0.00 C +ATOM 534 CD LYS A 36 -7.032 2.156 2.155 1.00 0.00 C +ATOM 535 CE LYS A 36 -8.313 2.037 2.983 1.00 0.00 C +ATOM 536 NZ LYS A 36 -9.095 0.954 2.326 1.00 0.00 N +ATOM 537 H LYS A 36 -3.791 4.748 0.740 1.00 0.00 H +ATOM 538 HA LYS A 36 -5.610 4.838 3.058 1.00 0.00 H +ATOM 539 HB2 LYS A 36 -4.869 2.935 1.262 1.00 0.00 H +ATOM 540 HB3 LYS A 36 -3.762 2.561 2.584 1.00 0.00 H +ATOM 541 HG2 LYS A 36 -5.501 1.392 3.452 1.00 0.00 H +ATOM 542 HG3 LYS A 36 -6.131 2.971 3.923 1.00 0.00 H +ATOM 543 HD2 LYS A 36 -7.110 3.003 1.489 1.00 0.00 H +ATOM 544 HD3 LYS A 36 -6.895 1.255 1.577 1.00 0.00 H +ATOM 545 HE2 LYS A 36 -8.077 1.769 4.004 1.00 0.00 H +ATOM 546 HE3 LYS A 36 -8.868 2.962 2.954 1.00 0.00 H +ATOM 547 HZ1 LYS A 36 -8.506 0.102 2.242 1.00 0.00 H +ATOM 548 HZ2 LYS A 36 -9.393 1.266 1.379 1.00 0.00 H +ATOM 549 HZ3 LYS A 36 -9.934 0.735 2.899 1.00 0.00 H +ATOM 550 N ASN A 37 -3.077 5.967 3.823 1.00 0.00 N +ATOM 551 CA ASN A 37 -2.025 6.312 4.825 1.00 0.00 C +ATOM 552 C ASN A 37 -1.072 5.136 5.086 1.00 0.00 C +ATOM 553 O ASN A 37 -0.802 4.791 6.219 1.00 0.00 O +ATOM 554 CB ASN A 37 -2.798 6.660 6.096 1.00 0.00 C +ATOM 555 CG ASN A 37 -1.814 7.074 7.191 1.00 0.00 C +ATOM 556 OD1 ASN A 37 -1.695 6.409 8.201 1.00 0.00 O +ATOM 557 ND2 ASN A 37 -1.098 8.153 7.032 1.00 0.00 N +ATOM 558 H ASN A 37 -3.408 6.660 3.215 1.00 0.00 H +ATOM 559 HA ASN A 37 -1.469 7.172 4.495 1.00 0.00 H +ATOM 560 HB2 ASN A 37 -3.477 7.475 5.892 1.00 0.00 H +ATOM 561 HB3 ASN A 37 -3.357 5.798 6.424 1.00 0.00 H +ATOM 562 HD21 ASN A 37 -1.193 8.689 6.217 1.00 0.00 H +ATOM 563 HD22 ASN A 37 -0.464 8.427 7.727 1.00 0.00 H +ATOM 564 N TYR A 38 -0.536 4.538 4.054 1.00 0.00 N +ATOM 565 CA TYR A 38 0.422 3.415 4.266 1.00 0.00 C +ATOM 566 C TYR A 38 -0.183 2.377 5.213 1.00 0.00 C +ATOM 567 O TYR A 38 0.512 1.581 5.814 1.00 0.00 O +ATOM 568 CB TYR A 38 1.653 4.083 4.882 1.00 0.00 C +ATOM 569 CG TYR A 38 2.224 5.079 3.894 1.00 0.00 C +ATOM 570 CD1 TYR A 38 1.462 6.182 3.473 1.00 0.00 C +ATOM 571 CD2 TYR A 38 3.513 4.894 3.386 1.00 0.00 C +ATOM 572 CE1 TYR A 38 1.986 7.085 2.556 1.00 0.00 C +ATOM 573 CE2 TYR A 38 4.037 5.805 2.464 1.00 0.00 C +ATOM 574 CZ TYR A 38 3.274 6.900 2.047 1.00 0.00 C +ATOM 575 OH TYR A 38 3.793 7.798 1.137 1.00 0.00 O +ATOM 576 H TYR A 38 -0.740 4.842 3.145 1.00 0.00 H +ATOM 577 HA TYR A 38 0.684 2.959 3.325 1.00 0.00 H +ATOM 578 HB2 TYR A 38 1.370 4.594 5.789 1.00 0.00 H +ATOM 579 HB3 TYR A 38 2.396 3.333 5.106 1.00 0.00 H +ATOM 580 HD1 TYR A 38 0.472 6.343 3.859 1.00 0.00 H +ATOM 581 HD2 TYR A 38 4.105 4.049 3.704 1.00 0.00 H +ATOM 582 HE1 TYR A 38 1.390 7.921 2.237 1.00 0.00 H +ATOM 583 HE2 TYR A 38 5.029 5.662 2.072 1.00 0.00 H +ATOM 584 HH TYR A 38 3.789 8.668 1.544 1.00 0.00 H +ATOM 585 N ASP A 39 -1.479 2.379 5.334 1.00 0.00 N +ATOM 586 CA ASP A 39 -2.162 1.390 6.229 1.00 0.00 C +ATOM 587 C ASP A 39 -2.376 0.067 5.489 1.00 0.00 C +ATOM 588 O ASP A 39 -3.402 -0.565 5.631 1.00 0.00 O +ATOM 589 CB ASP A 39 -3.506 2.033 6.579 1.00 0.00 C +ATOM 590 CG ASP A 39 -3.783 1.863 8.073 1.00 0.00 C +ATOM 591 OD1 ASP A 39 -2.900 1.391 8.770 1.00 0.00 O +ATOM 592 OD2 ASP A 39 -4.874 2.208 8.497 1.00 0.00 O +ATOM 593 H ASP A 39 -2.008 3.033 4.827 1.00 0.00 H +ATOM 594 HA ASP A 39 -1.599 1.224 7.130 1.00 0.00 H +ATOM 595 HB2 ASP A 39 -3.475 3.085 6.342 1.00 0.00 H +ATOM 596 HB3 ASP A 39 -4.293 1.559 6.011 1.00 0.00 H +ATOM 597 N ILE A 40 -1.426 -0.365 4.693 1.00 0.00 N +ATOM 598 CA ILE A 40 -1.633 -1.653 3.960 1.00 0.00 C +ATOM 599 C ILE A 40 -2.131 -2.726 4.917 1.00 0.00 C +ATOM 600 O ILE A 40 -2.739 -3.679 4.504 1.00 0.00 O +ATOM 601 CB ILE A 40 -0.301 -2.086 3.339 1.00 0.00 C +ATOM 602 CG1 ILE A 40 0.891 -1.517 4.108 1.00 0.00 C +ATOM 603 CG2 ILE A 40 -0.250 -1.611 1.891 1.00 0.00 C +ATOM 604 CD1 ILE A 40 2.146 -2.304 3.720 1.00 0.00 C +ATOM 605 H ILE A 40 -0.603 0.153 4.575 1.00 0.00 H +ATOM 606 HA ILE A 40 -2.360 -1.506 3.176 1.00 0.00 H +ATOM 607 HB ILE A 40 -0.248 -3.166 3.351 1.00 0.00 H +ATOM 608 HG12 ILE A 40 1.021 -0.474 3.855 1.00 0.00 H +ATOM 609 HG13 ILE A 40 0.720 -1.615 5.170 1.00 0.00 H +ATOM 610 HG21 ILE A 40 0.743 -1.764 1.496 1.00 0.00 H +ATOM 611 HG22 ILE A 40 -0.501 -0.562 1.847 1.00 0.00 H +ATOM 612 HG23 ILE A 40 -0.962 -2.175 1.306 1.00 0.00 H +ATOM 613 HD11 ILE A 40 1.902 -3.354 3.648 1.00 0.00 H +ATOM 614 HD12 ILE A 40 2.909 -2.161 4.468 1.00 0.00 H +ATOM 615 HD13 ILE A 40 2.507 -1.954 2.763 1.00 0.00 H +ATOM 616 N GLY A 41 -1.905 -2.580 6.191 1.00 0.00 N +ATOM 617 CA GLY A 41 -2.425 -3.610 7.132 1.00 0.00 C +ATOM 618 C GLY A 41 -3.939 -3.467 7.133 1.00 0.00 C +ATOM 619 O GLY A 41 -4.676 -4.415 6.945 1.00 0.00 O +ATOM 620 H GLY A 41 -1.423 -1.796 6.527 1.00 0.00 H +ATOM 621 HA2 GLY A 41 -2.149 -4.594 6.781 1.00 0.00 H +ATOM 622 HA3 GLY A 41 -2.040 -3.442 8.124 1.00 0.00 H +ATOM 623 N ALA A 42 -4.399 -2.261 7.294 1.00 0.00 N +ATOM 624 CA ALA A 42 -5.850 -1.992 7.253 1.00 0.00 C +ATOM 625 C ALA A 42 -6.288 -2.077 5.801 1.00 0.00 C +ATOM 626 O ALA A 42 -7.320 -2.628 5.476 1.00 0.00 O +ATOM 627 CB ALA A 42 -5.980 -0.566 7.789 1.00 0.00 C +ATOM 628 H ALA A 42 -3.781 -1.520 7.408 1.00 0.00 H +ATOM 629 HA ALA A 42 -6.395 -2.692 7.859 1.00 0.00 H +ATOM 630 HB1 ALA A 42 -6.737 -0.038 7.229 1.00 0.00 H +ATOM 631 HB2 ALA A 42 -5.025 -0.054 7.682 1.00 0.00 H +ATOM 632 HB3 ALA A 42 -6.256 -0.597 8.833 1.00 0.00 H +ATOM 633 N ALA A 43 -5.475 -1.569 4.920 1.00 0.00 N +ATOM 634 CA ALA A 43 -5.804 -1.655 3.482 1.00 0.00 C +ATOM 635 C ALA A 43 -5.770 -3.126 3.083 1.00 0.00 C +ATOM 636 O ALA A 43 -6.497 -3.559 2.221 1.00 0.00 O +ATOM 637 CB ALA A 43 -4.704 -0.869 2.766 1.00 0.00 C +ATOM 638 H ALA A 43 -4.633 -1.158 5.208 1.00 0.00 H +ATOM 639 HA ALA A 43 -6.771 -1.222 3.281 1.00 0.00 H +ATOM 640 HB1 ALA A 43 -4.033 -1.557 2.272 1.00 0.00 H +ATOM 641 HB2 ALA A 43 -4.152 -0.284 3.487 1.00 0.00 H +ATOM 642 HB3 ALA A 43 -5.149 -0.212 2.034 1.00 0.00 H +ATOM 643 N LEU A 44 -4.938 -3.903 3.732 1.00 0.00 N +ATOM 644 CA LEU A 44 -4.871 -5.354 3.411 1.00 0.00 C +ATOM 645 C LEU A 44 -6.283 -5.884 3.253 1.00 0.00 C +ATOM 646 O LEU A 44 -6.589 -6.623 2.343 1.00 0.00 O +ATOM 647 CB LEU A 44 -4.201 -6.010 4.617 1.00 0.00 C +ATOM 648 CG LEU A 44 -3.109 -6.983 4.162 1.00 0.00 C +ATOM 649 CD1 LEU A 44 -3.760 -8.222 3.547 1.00 0.00 C +ATOM 650 CD2 LEU A 44 -2.201 -6.313 3.124 1.00 0.00 C +ATOM 651 H LEU A 44 -4.368 -3.533 4.444 1.00 0.00 H +ATOM 652 HA LEU A 44 -4.298 -5.528 2.528 1.00 0.00 H +ATOM 653 HB2 LEU A 44 -3.772 -5.254 5.253 1.00 0.00 H +ATOM 654 HB3 LEU A 44 -4.945 -6.552 5.165 1.00 0.00 H +ATOM 655 HG LEU A 44 -2.518 -7.280 5.018 1.00 0.00 H +ATOM 656 HD11 LEU A 44 -4.320 -8.748 4.306 1.00 0.00 H +ATOM 657 HD12 LEU A 44 -2.994 -8.871 3.150 1.00 0.00 H +ATOM 658 HD13 LEU A 44 -4.426 -7.921 2.752 1.00 0.00 H +ATOM 659 HD21 LEU A 44 -1.268 -6.852 3.063 1.00 0.00 H +ATOM 660 HD22 LEU A 44 -2.007 -5.293 3.418 1.00 0.00 H +ATOM 661 HD23 LEU A 44 -2.685 -6.322 2.160 1.00 0.00 H +ATOM 662 N ASP A 45 -7.149 -5.498 4.137 1.00 0.00 N +ATOM 663 CA ASP A 45 -8.549 -5.967 4.054 1.00 0.00 C +ATOM 664 C ASP A 45 -9.159 -5.537 2.721 1.00 0.00 C +ATOM 665 O ASP A 45 -9.990 -6.217 2.153 1.00 0.00 O +ATOM 666 CB ASP A 45 -9.233 -5.326 5.284 1.00 0.00 C +ATOM 667 CG ASP A 45 -10.473 -4.524 4.868 1.00 0.00 C +ATOM 668 OD1 ASP A 45 -10.304 -3.496 4.233 1.00 0.00 O +ATOM 669 OD2 ASP A 45 -11.568 -4.953 5.191 1.00 0.00 O +ATOM 670 H ASP A 45 -6.875 -4.895 4.859 1.00 0.00 H +ATOM 671 HA ASP A 45 -8.571 -7.033 4.120 1.00 0.00 H +ATOM 672 HB2 ASP A 45 -9.530 -6.106 5.969 1.00 0.00 H +ATOM 673 HB3 ASP A 45 -8.526 -4.660 5.785 1.00 0.00 H +ATOM 674 N THR A 46 -8.724 -4.435 2.208 1.00 0.00 N +ATOM 675 CA THR A 46 -9.232 -3.972 0.901 1.00 0.00 C +ATOM 676 C THR A 46 -8.268 -4.449 -0.185 1.00 0.00 C +ATOM 677 O THR A 46 -8.628 -4.599 -1.335 1.00 0.00 O +ATOM 678 CB THR A 46 -9.290 -2.433 1.008 1.00 0.00 C +ATOM 679 OG1 THR A 46 -10.614 -1.997 0.734 1.00 0.00 O +ATOM 680 CG2 THR A 46 -8.325 -1.766 0.013 1.00 0.00 C +ATOM 681 H THR A 46 -8.044 -3.928 2.669 1.00 0.00 H +ATOM 682 HA THR A 46 -10.208 -4.374 0.733 1.00 0.00 H +ATOM 683 HB THR A 46 -9.021 -2.137 2.011 1.00 0.00 H +ATOM 684 HG1 THR A 46 -11.049 -1.828 1.572 1.00 0.00 H +ATOM 685 HG21 THR A 46 -8.595 -2.046 -0.995 1.00 0.00 H +ATOM 686 HG22 THR A 46 -7.316 -2.091 0.217 1.00 0.00 H +ATOM 687 HG23 THR A 46 -8.384 -0.693 0.117 1.00 0.00 H +ATOM 688 N ILE A 47 -7.041 -4.696 0.187 1.00 0.00 N +ATOM 689 CA ILE A 47 -6.046 -5.167 -0.796 1.00 0.00 C +ATOM 690 C ILE A 47 -6.131 -6.693 -0.928 1.00 0.00 C +ATOM 691 O ILE A 47 -5.729 -7.259 -1.923 1.00 0.00 O +ATOM 692 CB ILE A 47 -4.720 -4.703 -0.234 1.00 0.00 C +ATOM 693 CG1 ILE A 47 -4.791 -3.193 -0.082 1.00 0.00 C +ATOM 694 CG2 ILE A 47 -3.588 -5.046 -1.199 1.00 0.00 C +ATOM 695 CD1 ILE A 47 -4.809 -2.540 -1.465 1.00 0.00 C +ATOM 696 H ILE A 47 -6.774 -4.571 1.122 1.00 0.00 H +ATOM 697 HA ILE A 47 -6.209 -4.689 -1.743 1.00 0.00 H +ATOM 698 HB ILE A 47 -4.541 -5.162 0.726 1.00 0.00 H +ATOM 699 HG12 ILE A 47 -5.685 -2.925 0.453 1.00 0.00 H +ATOM 700 HG13 ILE A 47 -3.940 -2.859 0.455 1.00 0.00 H +ATOM 701 HG21 ILE A 47 -3.058 -4.144 -1.459 1.00 0.00 H +ATOM 702 HG22 ILE A 47 -3.998 -5.492 -2.091 1.00 0.00 H +ATOM 703 HG23 ILE A 47 -2.908 -5.735 -0.727 1.00 0.00 H +ATOM 704 HD11 ILE A 47 -3.898 -1.980 -1.612 1.00 0.00 H +ATOM 705 HD12 ILE A 47 -5.657 -1.875 -1.538 1.00 0.00 H +ATOM 706 HD13 ILE A 47 -4.887 -3.305 -2.224 1.00 0.00 H +ATOM 707 N GLN A 48 -6.680 -7.375 0.053 1.00 0.00 N +ATOM 708 CA GLN A 48 -6.806 -8.845 -0.081 1.00 0.00 C +ATOM 709 C GLN A 48 -8.228 -9.189 -0.512 1.00 0.00 C +ATOM 710 O GLN A 48 -8.538 -10.322 -0.825 1.00 0.00 O +ATOM 711 CB GLN A 48 -6.473 -9.432 1.281 1.00 0.00 C +ATOM 712 CG GLN A 48 -5.117 -10.142 1.207 1.00 0.00 C +ATOM 713 CD GLN A 48 -5.144 -11.182 0.084 1.00 0.00 C +ATOM 714 OE1 GLN A 48 -6.048 -11.990 0.013 1.00 0.00 O +ATOM 715 NE2 GLN A 48 -4.184 -11.200 -0.808 1.00 0.00 N +ATOM 716 H GLN A 48 -7.027 -6.927 0.853 1.00 0.00 H +ATOM 717 HA GLN A 48 -6.113 -9.197 -0.798 1.00 0.00 H +ATOM 718 HB2 GLN A 48 -6.427 -8.643 2.004 1.00 0.00 H +ATOM 719 HB3 GLN A 48 -7.234 -10.141 1.562 1.00 0.00 H +ATOM 720 HG2 GLN A 48 -4.342 -9.416 1.010 1.00 0.00 H +ATOM 721 HG3 GLN A 48 -4.918 -10.636 2.147 1.00 0.00 H +ATOM 722 HE21 GLN A 48 -3.450 -10.551 -0.759 1.00 0.00 H +ATOM 723 HE22 GLN A 48 -4.200 -11.865 -1.527 1.00 0.00 H +ATOM 724 N TYR A 49 -9.086 -8.202 -0.559 1.00 0.00 N +ATOM 725 CA TYR A 49 -10.487 -8.437 -0.998 1.00 0.00 C +ATOM 726 C TYR A 49 -11.000 -9.788 -0.487 1.00 0.00 C +ATOM 727 O TYR A 49 -10.924 -10.791 -1.168 1.00 0.00 O +ATOM 728 CB TYR A 49 -10.396 -8.432 -2.522 1.00 0.00 C +ATOM 729 CG TYR A 49 -9.654 -7.196 -2.986 1.00 0.00 C +ATOM 730 CD1 TYR A 49 -8.256 -7.128 -2.874 1.00 0.00 C +ATOM 731 CD2 TYR A 49 -10.363 -6.120 -3.534 1.00 0.00 C +ATOM 732 CE1 TYR A 49 -7.570 -5.983 -3.311 1.00 0.00 C +ATOM 733 CE2 TYR A 49 -9.679 -4.978 -3.969 1.00 0.00 C +ATOM 734 CZ TYR A 49 -8.285 -4.909 -3.858 1.00 0.00 C +ATOM 735 OH TYR A 49 -7.613 -3.783 -4.288 1.00 0.00 O +ATOM 736 H TYR A 49 -8.800 -7.296 -0.322 1.00 0.00 H +ATOM 737 HA TYR A 49 -11.128 -7.636 -0.666 1.00 0.00 H +ATOM 738 HB2 TYR A 49 -9.860 -9.309 -2.845 1.00 0.00 H +ATOM 739 HB3 TYR A 49 -11.389 -8.436 -2.945 1.00 0.00 H +ATOM 740 HD1 TYR A 49 -7.708 -7.956 -2.451 1.00 0.00 H +ATOM 741 HD2 TYR A 49 -11.439 -6.170 -3.620 1.00 0.00 H +ATOM 742 HE1 TYR A 49 -6.490 -5.928 -3.226 1.00 0.00 H +ATOM 743 HE2 TYR A 49 -10.227 -4.149 -4.392 1.00 0.00 H +ATOM 744 HH TYR A 49 -6.990 -3.529 -3.605 1.00 0.00 H +ATOM 745 N SER A 50 -11.523 -9.822 0.709 1.00 0.00 N +ATOM 746 CA SER A 50 -12.042 -11.108 1.260 1.00 0.00 C +ATOM 747 C SER A 50 -13.558 -11.026 1.453 1.00 0.00 C +ATOM 748 O SER A 50 -14.142 -11.795 2.191 1.00 0.00 O +ATOM 749 CB SER A 50 -11.340 -11.273 2.607 1.00 0.00 C +ATOM 750 OG SER A 50 -11.339 -12.648 2.970 1.00 0.00 O +ATOM 751 H SER A 50 -11.577 -9.003 1.243 1.00 0.00 H +ATOM 752 HA SER A 50 -11.786 -11.927 0.608 1.00 0.00 H +ATOM 753 HB2 SER A 50 -10.323 -10.927 2.531 1.00 0.00 H +ATOM 754 HB3 SER A 50 -11.861 -10.693 3.357 1.00 0.00 H +ATOM 755 HG SER A 50 -11.205 -13.166 2.173 1.00 0.00 H +ATOM 756 N LYS A 51 -14.200 -10.099 0.796 1.00 0.00 N +ATOM 757 CA LYS A 51 -15.678 -9.968 0.941 1.00 0.00 C +ATOM 758 C LYS A 51 -16.388 -10.646 -0.234 1.00 0.00 C +ATOM 759 O LYS A 51 -15.804 -10.872 -1.276 1.00 0.00 O +ATOM 760 CB LYS A 51 -15.942 -8.462 0.933 1.00 0.00 C +ATOM 761 CG LYS A 51 -15.138 -7.796 2.051 1.00 0.00 C +ATOM 762 CD LYS A 51 -14.140 -6.808 1.443 1.00 0.00 C +ATOM 763 CE LYS A 51 -13.986 -5.599 2.369 1.00 0.00 C +ATOM 764 NZ LYS A 51 -13.008 -6.031 3.407 1.00 0.00 N +ATOM 765 H LYS A 51 -13.710 -9.488 0.207 1.00 0.00 H +ATOM 766 HA LYS A 51 -16.005 -10.395 1.877 1.00 0.00 H +ATOM 767 HB2 LYS A 51 -15.646 -8.050 -0.020 1.00 0.00 H +ATOM 768 HB3 LYS A 51 -16.996 -8.281 1.092 1.00 0.00 H +ATOM 769 HG2 LYS A 51 -15.811 -7.268 2.713 1.00 0.00 H +ATOM 770 HG3 LYS A 51 -14.602 -8.549 2.608 1.00 0.00 H +ATOM 771 HD2 LYS A 51 -13.183 -7.294 1.323 1.00 0.00 H +ATOM 772 HD3 LYS A 51 -14.500 -6.478 0.481 1.00 0.00 H +ATOM 773 HE2 LYS A 51 -13.604 -4.751 1.818 1.00 0.00 H +ATOM 774 HE3 LYS A 51 -14.931 -5.356 2.830 1.00 0.00 H +ATOM 775 HZ1 LYS A 51 -13.435 -6.771 4.000 1.00 0.00 H +ATOM 776 HZ2 LYS A 51 -12.751 -5.216 4.001 1.00 0.00 H +ATOM 777 HZ3 LYS A 51 -12.157 -6.408 2.945 1.00 0.00 H +ATOM 778 N HIS A 52 -17.641 -10.972 -0.076 1.00 0.00 N +ATOM 779 CA HIS A 52 -18.385 -11.635 -1.186 1.00 0.00 C +ATOM 780 C HIS A 52 -19.762 -10.988 -1.360 1.00 0.00 C +ATOM 781 O HIS A 52 -20.079 -10.609 -2.475 1.00 0.00 O +ATOM 782 CB HIS A 52 -18.528 -13.095 -0.753 1.00 0.00 C +ATOM 783 CG HIS A 52 -18.310 -13.994 -1.940 1.00 0.00 C +ATOM 784 ND1 HIS A 52 -18.002 -15.338 -1.802 1.00 0.00 N +ATOM 785 CD2 HIS A 52 -18.351 -13.755 -3.291 1.00 0.00 C +ATOM 786 CE1 HIS A 52 -17.869 -15.852 -3.039 1.00 0.00 C +ATOM 787 NE2 HIS A 52 -18.072 -14.930 -3.983 1.00 0.00 N +ATOM 788 OXT HIS A 52 -20.475 -10.885 -0.376 1.00 0.00 O +ATOM 789 H HIS A 52 -18.094 -10.781 0.772 1.00 0.00 H +ATOM 790 HA HIS A 52 -17.822 -11.577 -2.105 1.00 0.00 H +ATOM 791 HB2 HIS A 52 -17.796 -13.318 0.008 1.00 0.00 H +ATOM 792 HB3 HIS A 52 -19.520 -13.257 -0.357 1.00 0.00 H +ATOM 793 HD1 HIS A 52 -17.899 -15.826 -0.958 1.00 0.00 H +ATOM 794 HD2 HIS A 52 -18.566 -12.801 -3.747 1.00 0.00 H +ATOM 795 HE1 HIS A 52 -17.629 -16.885 -3.243 1.00 0.00 H Added: SwiftApps/modFTdock/input/indata/1waq-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1waq-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1waq-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,830 @@ +ATOM 1 N ALA A 17 83.826 83.353 79.469 1.00 49.79 N +ATOM 2 CA ALA A 17 83.237 82.753 80.726 1.00 48.45 C +ATOM 3 C ALA A 17 84.339 82.212 81.648 1.00 34.17 C +ATOM 4 O ALA A 17 84.125 82.102 82.878 1.00 14.21 O +ATOM 5 CB ALA A 17 82.215 81.638 80.370 1.00 50.27 C +ATOM 6 N ARG A 18 85.510 81.885 81.048 1.00 27.51 N +ATOM 7 CA ARG A 18 86.577 81.250 81.816 1.00 72.93 C +ATOM 8 C ARG A 18 87.584 82.253 82.389 1.00 43.82 C +ATOM 9 O ARG A 18 87.678 83.363 81.892 1.00 61.73 O +ATOM 10 CB ARG A 18 87.318 80.199 80.972 1.00 81.50 C +ATOM 11 CG ARG A 18 86.506 78.949 80.623 1.00 76.83 C +ATOM 12 CD ARG A 18 85.676 78.386 81.816 1.00 80.51 C +ATOM 13 NE ARG A 18 85.148 77.065 81.475 1.00 93.82 N +ATOM 14 CZ ARG A 18 85.801 75.930 81.681 1.00 84.55 C +ATOM 15 NH1 ARG A 18 87.019 75.952 82.234 1.00 84.71 N +ATOM 16 NH2 ARG A 18 85.235 74.772 81.336 1.00 93.00 N +ATOM 17 N CYS A 19 88.331 81.857 83.417 1.00 55.24 N +ATOM 18 CA CYS A 19 89.391 82.712 83.970 1.00 49.17 C +ATOM 19 C CYS A 19 90.205 83.329 82.807 1.00 70.18 C +ATOM 20 O CYS A 19 90.857 82.599 82.056 1.00 71.09 O +ATOM 21 CB CYS A 19 90.314 81.920 84.889 1.00 55.19 C +ATOM 22 SG CYS A 19 91.612 82.946 85.690 1.00 61.72 S +ATOM 23 N SER A 20 90.104 84.665 82.598 1.00 47.33 N +ATOM 24 CA SER A 20 90.958 85.344 81.635 1.00 50.23 C +ATOM 25 C SER A 20 91.180 86.799 82.012 1.00 58.89 C +ATOM 26 O SER A 20 90.716 87.253 83.111 1.00 56.79 O +ATOM 27 CB SER A 20 90.479 85.154 80.165 1.00 84.33 C +ATOM 28 OG SER A 20 89.128 85.664 79.862 1.00 84.72 O +ATOM 29 N ARG A 21 91.967 87.498 81.192 1.00 53.69 N +ATOM 30 CA ARG A 21 92.402 88.872 81.551 1.00 61.47 C +ATOM 31 C ARG A 21 91.480 89.846 80.839 1.00 52.36 C +ATOM 32 O ARG A 21 91.372 89.841 79.598 1.00 65.84 O +ATOM 33 CB ARG A 21 93.866 89.146 81.149 1.00 56.62 C +ATOM 34 CG ARG A 21 94.600 90.167 82.050 1.00 53.28 C +ATOM 35 CD ARG A 21 95.989 90.585 81.534 1.00 46.65 C +ATOM 36 NE ARG A 21 95.985 90.818 80.087 1.00 60.22 N +ATOM 37 CZ ARG A 21 96.963 91.396 79.411 1.00 48.95 C +ATOM 38 NH1 ARG A 21 98.057 91.817 80.024 1.00 56.55 N +ATOM 39 NH2 ARG A 21 96.846 91.546 78.108 1.00 64.24 N +ATOM 40 N LYS A 22 90.777 90.661 81.630 1.00 54.03 N +ATOM 41 CA LYS A 22 89.879 91.623 81.048 1.00 29.55 C +ATOM 42 C LYS A 22 90.475 92.982 81.357 1.00 64.47 C +ATOM 43 O LYS A 22 91.409 93.101 82.175 1.00 61.42 O +ATOM 44 CB LYS A 22 88.478 91.492 81.632 1.00 21.15 C +ATOM 45 CG LYS A 22 87.830 90.085 81.361 1.00 70.46 C +ATOM 46 CD LYS A 22 87.178 90.002 79.940 1.00 93.13 C +ATOM 47 CE LYS A 22 86.886 88.442 79.724 1.00127.31 C +ATOM 48 NZ LYS A 22 87.087 88.123 78.240 1.00 90.45 N +ATOM 49 N ALA A 23 89.950 94.009 80.711 1.00 48.93 N +ATOM 50 CA ALA A 23 90.493 95.329 80.960 1.00 87.23 C +ATOM 51 C ALA A 23 90.144 95.871 82.380 1.00 75.26 C +ATOM 52 O ALA A 23 89.042 95.559 82.967 1.00105.82 O +ATOM 53 CB ALA A 23 89.998 96.339 79.866 1.00 37.75 C +ATOM 54 N LEU A 24 91.053 96.782 82.825 1.00 45.94 N +ATOM 55 CA LEU A 24 90.743 97.767 83.862 1.00 56.69 C +ATOM 56 C LEU A 24 91.484 99.084 83.575 1.00 55.19 C +ATOM 57 O LEU A 24 92.714 99.142 83.679 1.00 57.35 O +ATOM 58 CB LEU A 24 91.134 97.239 85.255 1.00 53.51 C +ATOM 59 CG LEU A 24 90.563 98.025 86.432 1.00 38.75 C +ATOM 60 CD1 LEU A 24 89.053 97.984 86.465 1.00 52.91 C +ATOM 61 CD2 LEU A 24 91.127 97.518 87.726 1.00 58.66 C +ATOM 62 N HIS A 25 90.717 100.124 83.226 1.00 46.75 N +ATOM 63 CA HIS A 25 91.240 101.473 82.904 1.00 50.01 C +ATOM 64 C HIS A 25 91.284 102.374 84.168 1.00 35.30 C +ATOM 65 O HIS A 25 90.243 102.804 84.678 1.00 47.04 O +ATOM 66 CB HIS A 25 90.309 102.133 81.849 1.00 55.03 C +ATOM 67 CG AHIS A 25 90.294 101.391 80.488 0.50 87.47 C +ATOM 68 CG BHIS A 25 90.813 103.443 81.321 0.50 65.59 C +ATOM 69 ND1AHIS A 25 91.118 101.780 79.357 0.50 63.93 N +ATOM 70 ND1BHIS A 25 92.008 103.567 80.640 0.50 71.67 N +ATOM 71 CD2AHIS A 25 89.515 100.332 80.027 0.50 93.26 C +ATOM 72 CD2BHIS A 25 90.271 104.686 81.362 0.50 56.13 C +ATOM 73 CE1AHIS A 25 90.860 100.974 78.288 0.50 84.77 C +ATOM 74 CE1BHIS A 25 92.186 104.834 80.296 0.50 63.53 C +ATOM 75 NE2AHIS A 25 89.897 100.083 78.664 0.50 89.40 N +ATOM 76 NE2BHIS A 25 91.146 105.532 80.721 0.50 45.81 N +ATOM 77 N VAL A 26 92.499 102.619 84.690 1.00 46.49 N +ATOM 78 CA VAL A 26 92.679 103.334 85.956 1.00 47.91 C +ATOM 79 C VAL A 26 92.865 104.824 85.640 1.00 47.70 C +ATOM 80 O VAL A 26 93.793 105.194 84.932 1.00 48.07 O +ATOM 81 CB VAL A 26 93.902 102.796 86.777 1.00 52.91 C +ATOM 82 CG1 VAL A 26 94.185 103.664 88.023 1.00 44.63 C +ATOM 83 CG2 VAL A 26 93.711 101.324 87.179 1.00 49.24 C +ATOM 84 N ASN A 27 91.984 105.658 86.177 1.00 44.74 N +ATOM 85 CA ASN A 27 92.050 107.113 85.985 1.00 39.61 C +ATOM 86 C ASN A 27 92.596 107.855 87.219 1.00 50.17 C +ATOM 87 O ASN A 27 91.875 108.050 88.200 1.00 62.08 O +ATOM 88 CB ASN A 27 90.669 107.659 85.631 1.00 29.77 C +ATOM 89 CG ASN A 27 90.716 109.116 85.189 1.00 57.66 C +ATOM 90 OD1 ASN A 27 91.777 109.750 85.229 1.00 71.09 O +ATOM 91 ND2 ASN A 27 89.569 109.664 84.775 1.00 35.90 N +ATOM 92 N PHE A 28 93.859 108.268 87.169 1.00 46.40 N +ATOM 93 CA PHE A 28 94.475 108.955 88.298 1.00 52.55 C +ATOM 94 C PHE A 28 93.882 110.333 88.572 1.00 74.51 C +ATOM 95 O PHE A 28 94.192 110.934 89.600 1.00 78.02 O +ATOM 96 CB PHE A 28 95.992 109.075 88.123 1.00 53.65 C +ATOM 97 CG PHE A 28 96.740 107.818 88.401 1.00 53.60 C +ATOM 98 CD1 PHE A 28 96.299 106.916 89.355 1.00 56.32 C +ATOM 99 CD2 PHE A 28 97.899 107.531 87.708 1.00 61.67 C +ATOM 100 CE1 PHE A 28 97.020 105.758 89.610 1.00 55.52 C +ATOM 101 CE2 PHE A 28 98.611 106.365 87.963 1.00 56.63 C +ATOM 102 CZ PHE A 28 98.170 105.489 88.903 1.00 59.62 C +ATOM 103 N LYS A 29 93.028 110.823 87.667 1.00 71.37 N +ATOM 104 CA LYS A 29 92.426 112.148 87.794 1.00 67.16 C +ATOM 105 C LYS A 29 91.255 112.191 88.775 1.00 75.28 C +ATOM 106 O LYS A 29 90.717 113.255 89.064 1.00 83.43 O +ATOM 107 CB LYS A 29 91.986 112.675 86.425 1.00 85.60 C +ATOM 108 CG LYS A 29 93.125 113.156 85.543 1.00 74.87 C +ATOM 109 CD LYS A 29 92.604 114.096 84.460 1.00 73.97 C +ATOM 110 CE LYS A 29 93.450 115.361 84.374 1.00 66.58 C +ATOM 111 NZ LYS A 29 93.029 116.209 83.218 1.00 81.63 N +ATOM 112 N ASP A 30 90.846 111.033 89.270 1.00 83.57 N +ATOM 113 CA ASP A 30 89.908 110.985 90.386 1.00 94.90 C +ATOM 114 C ASP A 30 90.720 111.164 91.660 1.00 97.55 C +ATOM 115 O ASP A 30 90.336 111.923 92.564 1.00 88.67 O +ATOM 116 CB ASP A 30 89.171 109.637 90.418 1.00 93.79 C +ATOM 117 CG ASP A 30 88.304 109.431 89.173 1.00 91.74 C +ATOM 118 OD1 ASP A 30 87.986 110.429 88.453 1.00 84.66 O +ATOM 119 OD2 ASP A 30 87.894 108.302 88.833 1.00 85.81 O +ATOM 120 N MET A 31 91.866 110.471 91.672 1.00 89.64 N +ATOM 121 CA MET A 31 92.779 110.308 92.804 1.00 76.11 C +ATOM 122 C MET A 31 93.033 111.526 93.682 1.00 61.83 C +ATOM 123 O MET A 31 93.374 111.380 94.842 1.00 66.74 O +ATOM 124 CB MET A 31 94.128 109.780 92.293 1.00 55.15 C +ATOM 125 CG MET A 31 94.470 108.367 92.751 1.00 77.06 C +ATOM 126 SD MET A 31 93.082 107.232 92.911 1.00 70.79 S +ATOM 127 CE MET A 31 93.721 105.769 92.072 1.00 67.70 C +ATOM 128 N GLY A 32 92.896 112.715 93.121 1.00 61.49 N +ATOM 129 CA GLY A 32 93.097 113.938 93.872 1.00 49.80 C +ATOM 130 C GLY A 32 94.571 114.286 93.935 1.00 57.16 C +ATOM 131 O GLY A 32 95.066 114.817 94.938 1.00 55.17 O +ATOM 132 N TRP A 33 95.272 114.021 92.837 1.00 62.53 N +ATOM 133 CA TRP A 33 96.704 114.245 92.764 1.00 59.34 C +ATOM 134 C TRP A 33 97.083 115.344 91.775 1.00 84.98 C +ATOM 135 O TRP A 33 98.259 115.452 91.368 1.00 75.07 O +ATOM 136 CB TRP A 33 97.378 112.939 92.356 1.00 61.79 C +ATOM 137 CG TRP A 33 97.284 111.873 93.415 1.00 55.28 C +ATOM 138 CD1 TRP A 33 96.973 112.048 94.748 1.00 59.98 C +ATOM 139 CD2 TRP A 33 97.507 110.473 93.243 1.00 68.67 C +ATOM 140 NE1 TRP A 33 96.983 110.837 95.398 1.00 48.50 N +ATOM 141 CE2 TRP A 33 97.311 109.854 94.501 1.00 49.81 C +ATOM 142 CE3 TRP A 33 97.862 109.672 92.153 1.00 71.07 C +ATOM 143 CZ2 TRP A 33 97.461 108.477 94.693 1.00 58.21 C +ATOM 144 CZ3 TRP A 33 98.001 108.302 92.348 1.00 62.37 C +ATOM 145 CH2 TRP A 33 97.802 107.721 93.608 1.00 66.43 C +ATOM 146 N ASP A 34 96.104 116.181 91.421 1.00 63.63 N +ATOM 147 CA ASP A 34 96.222 117.005 90.211 1.00 69.77 C +ATOM 148 C ASP A 34 97.336 118.027 90.262 1.00 77.53 C +ATOM 149 O ASP A 34 97.996 118.287 89.250 1.00 77.88 O +ATOM 150 CB ASP A 34 94.877 117.638 89.812 1.00 83.20 C +ATOM 151 CG ASP A 34 94.094 116.764 88.819 1.00112.65 C +ATOM 152 OD1 ASP A 34 92.936 117.124 88.488 1.00 95.81 O +ATOM 153 OD2 ASP A 34 94.560 115.699 88.322 1.00 78.36 O +ATOM 154 N ASP A 35 97.567 118.584 91.445 1.00 69.57 N +ATOM 155 CA ASP A 35 98.687 119.490 91.624 1.00 71.66 C +ATOM 156 C ASP A 35 100.054 118.803 91.540 1.00 76.57 C +ATOM 157 O ASP A 35 101.076 119.482 91.388 1.00 74.51 O +ATOM 158 CB ASP A 35 98.537 120.296 92.921 1.00 74.86 C +ATOM 159 CG ASP A 35 97.704 121.559 92.717 1.00 84.47 C +ATOM 160 OD1 ASP A 35 97.839 122.194 91.643 1.00 82.89 O +ATOM 161 OD2 ASP A 35 96.882 121.985 93.556 1.00 89.81 O +ATOM 162 N TRP A 36 100.084 117.471 91.606 1.00 54.33 N +ATOM 163 CA TRP A 36 101.369 116.800 91.671 1.00 53.39 C +ATOM 164 C TRP A 36 101.701 115.899 90.488 1.00 50.06 C +ATOM 165 O TRP A 36 102.813 115.950 89.997 1.00 53.33 O +ATOM 166 CB TRP A 36 101.550 116.112 93.030 1.00 57.27 C +ATOM 167 CG TRP A 36 101.335 117.112 94.121 1.00 62.61 C +ATOM 168 CD1 TRP A 36 102.210 118.082 94.523 1.00 60.23 C +ATOM 169 CD2 TRP A 36 100.134 117.323 94.871 1.00 45.67 C +ATOM 170 NE1 TRP A 36 101.640 118.850 95.509 1.00 60.13 N +ATOM 171 CE2 TRP A 36 100.364 118.405 95.739 1.00 55.65 C +ATOM 172 CE3 TRP A 36 98.893 116.692 94.908 1.00 52.38 C +ATOM 173 CZ2 TRP A 36 99.399 118.865 96.643 1.00 58.61 C +ATOM 174 CZ3 TRP A 36 97.942 117.140 95.808 1.00 61.90 C +ATOM 175 CH2 TRP A 36 98.199 118.217 96.660 1.00 53.88 C +ATOM 176 N ILE A 37 100.739 115.135 89.988 1.00 47.20 N +ATOM 177 CA ILE A 37 101.044 114.117 88.989 1.00 53.37 C +ATOM 178 C ILE A 37 101.192 114.653 87.542 1.00 53.91 C +ATOM 179 O ILE A 37 100.360 115.391 87.043 1.00 54.65 O +ATOM 180 CB ILE A 37 100.048 112.944 89.116 1.00 52.54 C +ATOM 181 CG1 ILE A 37 100.491 111.751 88.283 1.00 59.15 C +ATOM 182 CG2 ILE A 37 98.666 113.377 88.724 1.00 64.61 C +ATOM 183 CD1 ILE A 37 99.854 110.467 88.797 1.00 67.50 C +ATOM 184 N ILE A 38 102.292 114.314 86.895 1.00 55.22 N +ATOM 185 CA ILE A 38 102.488 114.744 85.525 1.00 50.93 C +ATOM 186 C ILE A 38 102.025 113.667 84.546 1.00 44.60 C +ATOM 187 O ILE A 38 101.190 113.926 83.691 1.00 51.22 O +ATOM 188 CB ILE A 38 103.957 115.155 85.268 1.00 54.01 C +ATOM 189 CG1 ILE A 38 104.360 116.297 86.207 1.00 53.04 C +ATOM 190 CG2 ILE A 38 104.150 115.544 83.786 1.00 46.62 C +ATOM 191 CD1 ILE A 38 105.850 116.569 86.260 1.00 58.09 C +ATOM 192 N ALA A 39 102.536 112.456 84.693 1.00 46.44 N +ATOM 193 CA ALA A 39 102.198 111.386 83.765 1.00 47.92 C +ATOM 194 C ALA A 39 102.546 110.082 84.439 1.00 53.20 C +ATOM 195 O ALA A 39 103.434 110.085 85.272 1.00 61.73 O +ATOM 196 CB ALA A 39 102.985 111.569 82.460 1.00 56.29 C +ATOM 197 N PRO A 40 101.834 108.978 84.152 1.00 54.95 N +ATOM 198 CA PRO A 40 100.635 108.982 83.303 1.00 53.76 C +ATOM 199 C PRO A 40 99.408 109.396 84.110 1.00 54.01 C +ATOM 200 O PRO A 40 99.387 109.229 85.307 1.00 48.56 O +ATOM 201 CB PRO A 40 100.518 107.531 82.879 1.00 48.48 C +ATOM 202 CG PRO A 40 101.036 106.764 84.053 1.00 55.74 C +ATOM 203 CD PRO A 40 102.142 107.626 84.649 1.00 55.02 C +ATOM 204 N LEU A 41 98.402 109.941 83.459 1.00 44.99 N +ATOM 205 CA LEU A 41 97.215 110.329 84.173 1.00 45.57 C +ATOM 206 C LEU A 41 96.198 109.210 84.108 1.00 41.43 C +ATOM 207 O LEU A 41 95.196 109.227 84.809 1.00 43.80 O +ATOM 208 CB LEU A 41 96.651 111.625 83.596 1.00 43.61 C +ATOM 209 CG LEU A 41 97.026 112.947 84.276 1.00 62.33 C +ATOM 210 CD1 LEU A 41 98.352 112.905 84.993 1.00 58.95 C +ATOM 211 CD2 LEU A 41 97.072 114.025 83.226 1.00 56.40 C +ATOM 212 N GLU A 42 96.474 108.237 83.254 1.00 45.14 N +ATOM 213 CA GLU A 42 95.631 107.066 83.109 1.00 46.56 C +ATOM 214 C GLU A 42 96.534 105.913 82.703 1.00 46.69 C +ATOM 215 O GLU A 42 97.552 106.123 82.041 1.00 48.97 O +ATOM 216 CB GLU A 42 94.514 107.311 82.062 1.00 41.71 C +ATOM 217 CG GLU A 42 94.746 106.692 80.685 1.00 53.01 C +ATOM 218 CD GLU A 42 94.355 107.611 79.530 1.00123.05 C +ATOM 219 OE1 GLU A 42 93.255 107.436 78.944 1.00102.15 O +ATOM 220 OE2 GLU A 42 95.155 108.509 79.182 1.00124.57 O +ATOM 221 N TYR A 43 96.167 104.701 83.105 1.00 44.16 N +ATOM 222 CA TYR A 43 96.860 103.499 82.619 1.00 47.81 C +ATOM 223 C TYR A 43 95.962 102.259 82.634 1.00 47.58 C +ATOM 224 O TYR A 43 94.959 102.203 83.332 1.00 46.96 O +ATOM 225 CB TYR A 43 98.181 103.254 83.369 1.00 45.35 C +ATOM 226 CG TYR A 43 98.053 102.487 84.666 1.00 55.32 C +ATOM 227 CD1 TYR A 43 97.549 103.093 85.802 1.00 51.62 C +ATOM 228 CD2 TYR A 43 98.445 101.151 84.755 1.00 55.43 C +ATOM 229 CE1 TYR A 43 97.432 102.392 87.007 1.00 50.04 C +ATOM 230 CE2 TYR A 43 98.330 100.442 85.949 1.00 53.23 C +ATOM 231 CZ TYR A 43 97.822 101.072 87.073 1.00 62.40 C +ATOM 232 OH TYR A 43 97.708 100.373 88.256 1.00 58.20 O +ATOM 233 N GLU A 44 96.325 101.302 81.801 1.00 47.23 N +ATOM 234 CA GLU A 44 95.608 100.045 81.683 1.00 46.45 C +ATOM 235 C GLU A 44 96.180 99.023 82.703 1.00 50.81 C +ATOM 236 O GLU A 44 97.297 98.536 82.551 1.00 54.17 O +ATOM 237 CB GLU A 44 95.720 99.543 80.238 1.00 49.44 C +ATOM 238 CG GLU A 44 95.081 98.187 79.989 1.00 74.22 C +ATOM 239 CD GLU A 44 93.634 98.139 80.447 1.00 99.56 C +ATOM 240 OE1 GLU A 44 92.824 98.942 79.918 1.00116.43 O +ATOM 241 OE2 GLU A 44 93.313 97.315 81.339 1.00 69.48 O +ATOM 242 N ALA A 45 95.424 98.734 83.755 1.00 45.01 N +ATOM 243 CA ALA A 45 95.899 97.818 84.793 1.00 52.53 C +ATOM 244 C ALA A 45 95.492 96.380 84.546 1.00 52.53 C +ATOM 245 O ALA A 45 96.168 95.466 85.022 1.00 54.37 O +ATOM 246 CB ALA A 45 95.420 98.259 86.181 1.00 47.19 C +ATOM 247 N PHE A 46 94.386 96.181 83.829 1.00 42.86 N +ATOM 248 CA PHE A 46 93.741 94.862 83.714 1.00 55.48 C +ATOM 249 C PHE A 46 93.212 94.293 85.050 1.00 54.94 C +ATOM 250 O PHE A 46 93.553 94.776 86.146 1.00 52.97 O +ATOM 251 CB PHE A 46 94.677 93.839 83.059 1.00 50.33 C +ATOM 252 CG PHE A 46 95.174 94.252 81.700 1.00 61.11 C +ATOM 253 CD1 PHE A 46 94.331 94.198 80.593 1.00 46.01 C +ATOM 254 CD2 PHE A 46 96.483 94.681 81.524 1.00 45.61 C +ATOM 255 CE1 PHE A 46 94.784 94.564 79.333 1.00 66.72 C +ATOM 256 CE2 PHE A 46 96.946 95.046 80.263 1.00 56.09 C +ATOM 257 CZ PHE A 46 96.091 94.994 79.164 1.00 54.54 C +ATOM 258 N HIS A 47 92.350 93.289 84.940 1.00 57.37 N +ATOM 259 CA HIS A 47 91.903 92.497 86.082 1.00 50.18 C +ATOM 260 C HIS A 47 91.524 91.086 85.621 1.00 49.50 C +ATOM 261 O HIS A 47 91.273 90.842 84.445 1.00 54.69 O +ATOM 262 CB HIS A 47 90.732 93.160 86.834 1.00 42.44 C +ATOM 263 CG HIS A 47 89.434 93.158 86.082 1.00 40.80 C +ATOM 264 ND1 HIS A 47 88.400 92.292 86.384 1.00 58.71 N +ATOM 265 CD2 HIS A 47 88.989 93.936 85.062 1.00 58.65 C +ATOM 266 CE1 HIS A 47 87.381 92.523 85.572 1.00 34.97 C +ATOM 267 NE2 HIS A 47 87.716 93.514 84.755 1.00 54.78 N +ATOM 268 N CYS A 48 91.475 90.176 86.574 1.00 50.48 N +ATOM 269 CA CYS A 48 91.237 88.761 86.315 1.00 56.34 C +ATOM 270 C CYS A 48 89.830 88.426 86.709 1.00 56.12 C +ATOM 271 O CYS A 48 89.370 88.833 87.777 1.00 64.92 O +ATOM 272 CB CYS A 48 92.187 87.936 87.153 1.00 44.44 C +ATOM 273 SG CYS A 48 93.890 88.176 86.644 1.00 60.01 S +ATOM 274 N GLU A 49 89.148 87.684 85.845 1.00 47.35 N +ATOM 275 CA GLU A 49 87.753 87.389 86.045 1.00 48.23 C +ATOM 276 C GLU A 49 87.432 86.081 85.341 1.00 51.70 C +ATOM 277 O GLU A 49 87.942 85.820 84.258 1.00 54.45 O +ATOM 278 CB GLU A 49 86.930 88.528 85.430 1.00 53.45 C +ATOM 279 CG GLU A 49 85.440 88.507 85.701 1.00 43.95 C +ATOM 280 CD GLU A 49 84.763 89.784 85.232 1.00 76.07 C +ATOM 281 OE1 GLU A 49 84.845 90.800 85.960 1.00 92.75 O +ATOM 282 OE2 GLU A 49 84.158 89.787 84.124 1.00109.05 O +ATOM 283 N GLY A 50 86.602 85.256 85.964 1.00 55.29 N +ATOM 284 CA GLY A 50 86.005 84.121 85.276 1.00 53.34 C +ATOM 285 C GLY A 50 86.132 82.826 86.040 1.00 47.66 C +ATOM 286 O GLY A 50 86.873 82.754 87.022 1.00 54.38 O +ATOM 287 N LEU A 51 85.438 81.801 85.545 1.00 44.27 N +ATOM 288 CA LEU A 51 85.350 80.507 86.217 1.00 63.34 C +ATOM 289 C LEU A 51 86.690 79.770 86.303 1.00 51.83 C +ATOM 290 O LEU A 51 87.548 79.852 85.410 1.00 56.57 O +ATOM 291 CB LEU A 51 84.303 79.604 85.548 1.00 46.02 C +ATOM 292 CG LEU A 51 82.829 80.006 85.872 1.00 93.52 C +ATOM 293 CD1 LEU A 51 81.838 79.235 85.000 1.00 71.73 C +ATOM 294 CD2 LEU A 51 82.535 79.758 87.397 1.00106.12 C +ATOM 295 N CYS A 52 86.837 79.043 87.402 1.00 47.10 N +ATOM 296 CA CYS A 52 88.031 78.240 87.634 1.00 62.47 C +ATOM 297 C CYS A 52 87.620 76.814 87.804 1.00 56.36 C +ATOM 298 O CYS A 52 87.311 76.375 88.907 1.00 65.07 O +ATOM 299 CB CYS A 52 88.744 78.703 88.898 1.00 52.67 C +ATOM 300 SG CYS A 52 89.842 80.066 88.524 1.00 64.64 S +ATOM 301 N GLU A 53 87.614 76.076 86.715 1.00 51.50 N +ATOM 302 CA GLU A 53 87.144 74.723 86.804 1.00 54.39 C +ATOM 303 C GLU A 53 87.799 73.891 85.730 1.00 49.66 C +ATOM 304 O GLU A 53 88.398 74.430 84.786 1.00 47.45 O +ATOM 305 CB GLU A 53 85.617 74.701 86.717 1.00 53.42 C +ATOM 306 CG GLU A 53 85.076 74.977 85.332 1.00 70.08 C +ATOM 307 CD GLU A 53 83.638 75.468 85.341 1.00101.75 C +ATOM 308 OE1 GLU A 53 83.150 75.926 86.398 1.00109.36 O +ATOM 309 OE2 GLU A 53 82.992 75.397 84.280 1.00 63.29 O +ATOM 310 N PHE A 54 87.707 72.572 85.896 1.00 49.70 N +ATOM 311 CA PHE A 54 88.161 71.672 84.860 1.00 56.30 C +ATOM 312 C PHE A 54 87.455 72.129 83.535 1.00 41.92 C +ATOM 313 O PHE A 54 86.237 72.436 83.516 1.00 65.74 O +ATOM 314 CB PHE A 54 87.948 70.200 85.263 1.00 42.72 C +ATOM 315 CG PHE A 54 88.808 69.760 86.434 1.00 42.54 C +ATOM 316 CD1 PHE A 54 88.230 69.262 87.597 1.00 52.27 C +ATOM 317 CD2 PHE A 54 90.182 69.870 86.386 1.00 45.99 C +ATOM 318 CE1 PHE A 54 89.018 68.851 88.673 1.00 44.18 C +ATOM 319 CE2 PHE A 54 90.965 69.494 87.459 1.00 46.56 C +ATOM 320 CZ PHE A 54 90.369 68.961 88.607 1.00 44.16 C +ATOM 321 N PRO A 55 88.197 72.217 82.429 1.00 50.55 N +ATOM 322 CA PRO A 55 89.633 71.881 82.453 1.00 42.12 C +ATOM 323 C PRO A 55 90.468 73.075 82.755 1.00 64.24 C +ATOM 324 O PRO A 55 90.188 74.185 82.273 1.00 70.98 O +ATOM 325 CB PRO A 55 89.895 71.451 81.013 1.00 77.93 C +ATOM 326 CG PRO A 55 88.840 72.224 80.117 1.00 77.52 C +ATOM 327 CD PRO A 55 87.700 72.585 81.060 1.00 73.16 C +ATOM 328 N LEU A 56 91.498 72.859 83.558 1.00 52.57 N +ATOM 329 CA LEU A 56 92.446 73.902 83.835 1.00 55.59 C +ATOM 330 C LEU A 56 93.464 73.983 82.694 1.00 64.91 C +ATOM 331 O LEU A 56 94.408 73.170 82.605 1.00 65.62 O +ATOM 332 CB LEU A 56 93.132 73.641 85.169 1.00 53.97 C +ATOM 333 CG LEU A 56 92.167 73.638 86.351 1.00 54.37 C +ATOM 334 CD1 LEU A 56 92.825 73.052 87.586 1.00 57.57 C +ATOM 335 CD2 LEU A 56 91.646 75.032 86.633 1.00 63.11 C +ATOM 336 N ARG A 57 93.250 74.947 81.807 1.00 56.10 N +ATOM 337 CA ARG A 57 94.156 75.155 80.685 1.00 73.99 C +ATOM 338 C ARG A 57 95.568 75.454 81.180 1.00 59.80 C +ATOM 339 O ARG A 57 95.754 76.007 82.253 1.00 54.30 O +ATOM 340 CB ARG A 57 93.634 76.252 79.753 1.00 62.32 C +ATOM 341 CG ARG A 57 92.101 76.160 79.555 1.00 80.89 C +ATOM 342 CD ARG A 57 91.701 76.484 78.037 1.00113.37 C +ATOM 343 NE ARG A 57 90.962 75.318 77.424 1.00105.83 N +ATOM 344 CZ ARG A 57 89.738 74.932 77.899 1.00102.83 C +ATOM 345 NH1 ARG A 57 89.068 75.644 78.993 1.00 61.02 N +ATOM 346 NH2 ARG A 57 89.169 73.831 77.275 1.00 86.22 N +ATOM 347 N SER A 58 96.562 75.053 80.388 1.00 78.47 N +ATOM 348 CA SER A 58 97.957 75.201 80.806 1.00 89.22 C +ATOM 349 C SER A 58 98.366 76.646 81.145 1.00 98.27 C +ATOM 350 O SER A 58 99.268 76.856 82.000 1.00 90.53 O +ATOM 351 CB SER A 58 98.882 74.631 79.744 1.00 70.53 C +ATOM 352 OG SER A 58 99.797 75.641 79.341 1.00 92.39 O +ATOM 353 N HIS A 59 97.697 77.636 80.513 1.00 82.86 N +ATOM 354 CA HIS A 59 98.015 79.040 80.797 1.00 61.91 C +ATOM 355 C HIS A 59 97.533 79.520 82.176 1.00 74.55 C +ATOM 356 O HIS A 59 97.991 80.545 82.688 1.00 64.89 O +ATOM 357 CB HIS A 59 97.550 79.973 79.653 1.00 81.40 C +ATOM 358 CG HIS A 59 96.058 80.053 79.473 1.00105.69 C +ATOM 359 ND1 HIS A 59 95.349 79.228 78.592 1.00125.92 N +ATOM 360 CD2 HIS A 59 95.131 80.893 80.028 1.00 88.88 C +ATOM 361 CE1 HIS A 59 94.063 79.540 78.632 1.00122.09 C +ATOM 362 NE2 HIS A 59 93.896 80.549 79.499 1.00 76.77 N +ATOM 363 N LEU A 60 96.636 78.771 82.807 1.00 63.97 N +ATOM 364 CA LEU A 60 96.266 79.107 84.167 1.00 56.91 C +ATOM 365 C LEU A 60 97.357 78.681 85.170 1.00 59.55 C +ATOM 366 O LEU A 60 97.241 78.990 86.367 1.00 67.07 O +ATOM 367 CB LEU A 60 94.947 78.425 84.550 1.00 72.67 C +ATOM 368 CG LEU A 60 93.597 79.105 84.264 1.00 88.34 C +ATOM 369 CD1 LEU A 60 93.738 80.319 83.332 1.00 65.51 C +ATOM 370 CD2 LEU A 60 92.601 78.081 83.703 1.00 60.72 C +ATOM 371 N GLU A 61 98.365 77.948 84.679 1.00 57.52 N +ATOM 372 CA GLU A 61 99.482 77.384 85.463 1.00 62.71 C +ATOM 373 C GLU A 61 99.142 77.041 86.918 1.00 65.66 C +ATOM 374 O GLU A 61 99.716 77.602 87.851 1.00 66.48 O +ATOM 375 CB GLU A 61 100.677 78.333 85.399 1.00 70.01 C +ATOM 376 CG GLU A 61 101.032 78.698 83.965 1.00 74.47 C +ATOM 377 CD GLU A 61 102.283 79.533 83.853 1.00105.09 C +ATOM 378 OE1 GLU A 61 102.268 80.667 84.372 1.00 74.75 O +ATOM 379 OE2 GLU A 61 103.269 79.059 83.237 1.00 97.71 O +ATOM 380 N PRO A 62 98.182 76.148 87.118 1.00 62.97 N +ATOM 381 CA PRO A 62 97.682 75.887 88.464 1.00 55.93 C +ATOM 382 C PRO A 62 98.779 75.289 89.362 1.00 49.20 C +ATOM 383 O PRO A 62 99.615 74.540 88.895 1.00 50.38 O +ATOM 384 CB PRO A 62 96.558 74.876 88.218 1.00 53.35 C +ATOM 385 CG PRO A 62 96.890 74.227 86.921 1.00 49.83 C +ATOM 386 CD PRO A 62 97.529 75.294 86.106 1.00 61.89 C +ATOM 387 N THR A 63 98.794 75.666 90.624 1.00 49.60 N +ATOM 388 CA THR A 63 99.635 75.002 91.605 1.00 50.44 C +ATOM 389 C THR A 63 99.046 73.626 91.883 1.00 52.07 C +ATOM 390 O THR A 63 97.892 73.367 91.538 1.00 50.71 O +ATOM 391 CB THR A 63 99.628 75.822 92.907 1.00 58.92 C +ATOM 392 OG1 THR A 63 98.269 76.155 93.239 1.00 52.17 O +ATOM 393 CG2 THR A 63 100.299 77.212 92.673 1.00 57.37 C +ATOM 394 N ASN A 64 99.830 72.743 92.497 1.00 48.28 N +ATOM 395 CA ASN A 64 99.313 71.473 92.998 1.00 48.23 C +ATOM 396 C ASN A 64 98.116 71.664 93.893 1.00 49.41 C +ATOM 397 O ASN A 64 97.138 70.941 93.765 1.00 46.64 O +ATOM 398 CB ASN A 64 100.392 70.716 93.762 1.00 44.74 C +ATOM 399 CG ASN A 64 101.458 70.177 92.848 1.00 52.77 C +ATOM 400 OD1 ASN A 64 101.154 69.749 91.752 1.00 56.29 O +ATOM 401 ND2 ASN A 64 102.712 70.216 93.278 1.00 43.52 N +ATOM 402 N HIS A 65 98.198 72.645 94.797 1.00 50.69 N +ATOM 403 CA HIS A 65 97.097 72.945 95.701 1.00 46.92 C +ATOM 404 C HIS A 65 95.824 73.283 94.941 1.00 51.26 C +ATOM 405 O HIS A 65 94.754 72.815 95.308 1.00 49.02 O +ATOM 406 CB HIS A 65 97.438 74.089 96.667 1.00 51.46 C +ATOM 407 CG HIS A 65 96.381 74.307 97.693 1.00 51.89 C +ATOM 408 ND1 HIS A 65 95.257 75.068 97.452 1.00 43.76 N +ATOM 409 CD2 HIS A 65 96.232 73.795 98.936 1.00 42.64 C +ATOM 410 CE1 HIS A 65 94.474 75.035 98.516 1.00 46.20 C +ATOM 411 NE2 HIS A 65 95.044 74.269 99.428 1.00 50.53 N +ATOM 412 N ALA A 66 95.929 74.111 93.906 1.00 50.03 N +ATOM 413 CA ALA A 66 94.755 74.482 93.100 1.00 55.55 C +ATOM 414 C ALA A 66 94.119 73.302 92.349 1.00 50.17 C +ATOM 415 O ALA A 66 92.904 73.265 92.195 1.00 47.63 O +ATOM 416 CB ALA A 66 95.117 75.597 92.087 1.00 48.99 C +ATOM 417 N VAL A 67 94.938 72.386 91.829 1.00 48.47 N +ATOM 418 CA VAL A 67 94.413 71.195 91.160 1.00 51.32 C +ATOM 419 C VAL A 67 93.596 70.375 92.162 1.00 53.67 C +ATOM 420 O VAL A 67 92.470 69.994 91.871 1.00 50.69 O +ATOM 421 CB VAL A 67 95.528 70.343 90.559 1.00 55.47 C +ATOM 422 CG1 VAL A 67 94.982 68.984 90.098 1.00 53.32 C +ATOM 423 CG2 VAL A 67 96.217 71.103 89.395 1.00 46.34 C +ATOM 424 N ILE A 68 94.161 70.159 93.347 1.00 48.75 N +ATOM 425 CA ILE A 68 93.530 69.388 94.409 1.00 50.75 C +ATOM 426 C ILE A 68 92.244 70.039 94.887 1.00 54.57 C +ATOM 427 O ILE A 68 91.224 69.361 95.047 1.00 53.22 O +ATOM 428 CB ILE A 68 94.498 69.197 95.611 1.00 56.45 C +ATOM 429 CG1 ILE A 68 95.632 68.249 95.225 1.00 58.84 C +ATOM 430 CG2 ILE A 68 93.759 68.611 96.819 1.00 54.19 C +ATOM 431 CD1 ILE A 68 96.826 68.306 96.145 1.00 60.49 C +ATOM 432 N GLN A 69 92.283 71.352 95.120 1.00 54.00 N +ATOM 433 CA GLN A 69 91.061 72.065 95.465 1.00 59.41 C +ATOM 434 C GLN A 69 90.006 71.989 94.366 1.00 47.56 C +ATOM 435 O GLN A 69 88.816 71.813 94.645 1.00 47.77 O +ATOM 436 CB GLN A 69 91.330 73.516 95.849 1.00 55.14 C +ATOM 437 CG GLN A 69 90.115 74.136 96.525 1.00 49.42 C +ATOM 438 CD GLN A 69 90.315 75.574 96.971 1.00 59.65 C +ATOM 439 OE1 GLN A 69 91.390 75.943 97.441 1.00 54.82 O +ATOM 440 NE2 GLN A 69 89.281 76.391 96.812 1.00 56.42 N +ATOM 441 N THR A 70 90.429 72.127 93.119 1.00 48.67 N +ATOM 442 CA THR A 70 89.478 72.078 92.016 1.00 56.72 C +ATOM 443 C THR A 70 88.832 70.686 91.972 1.00 52.47 C +ATOM 444 O THR A 70 87.643 70.581 91.692 1.00 47.56 O +ATOM 445 CB THR A 70 90.182 72.386 90.698 1.00 52.86 C +ATOM 446 OG1 THR A 70 90.686 73.713 90.764 1.00 50.72 O +ATOM 447 CG2 THR A 70 89.203 72.378 89.478 1.00 44.16 C +ATOM 448 N LEU A 71 89.616 69.644 92.250 1.00 49.60 N +ATOM 449 CA LEU A 71 89.107 68.260 92.187 1.00 57.98 C +ATOM 450 C LEU A 71 88.080 68.060 93.289 1.00 51.87 C +ATOM 451 O LEU A 71 86.989 67.601 93.033 1.00 53.28 O +ATOM 452 CB LEU A 71 90.223 67.215 92.304 1.00 50.38 C +ATOM 453 CG LEU A 71 89.821 65.728 92.425 1.00 58.43 C +ATOM 454 CD1 LEU A 71 89.150 65.131 91.145 1.00 48.78 C +ATOM 455 CD2 LEU A 71 91.043 64.921 92.776 1.00 57.06 C +ATOM 456 N MET A 72 88.416 68.484 94.495 1.00 54.00 N +ATOM 457 CA MET A 72 87.515 68.350 95.626 1.00 55.39 C +ATOM 458 C MET A 72 86.198 69.106 95.424 1.00 56.16 C +ATOM 459 O MET A 72 85.132 68.570 95.710 1.00 63.03 O +ATOM 460 CB MET A 72 88.234 68.767 96.907 1.00 51.92 C +ATOM 461 CG MET A 72 89.230 67.661 97.374 1.00 51.84 C +ATOM 462 SD MET A 72 90.140 68.243 98.805 1.00 61.58 S +ATOM 463 CE MET A 72 88.849 67.978 100.154 1.00 65.25 C +ATOM 464 N ASN A 73 86.268 70.329 94.905 1.00 50.77 N +ATOM 465 CA ASN A 73 85.068 71.085 94.528 1.00 47.62 C +ATOM 466 C ASN A 73 84.247 70.354 93.478 1.00 51.15 C +ATOM 467 O ASN A 73 83.037 70.392 93.516 1.00 58.30 O +ATOM 468 CB ASN A 73 85.438 72.505 94.053 1.00 44.95 C +ATOM 469 CG ASN A 73 84.293 73.219 93.335 1.00 50.12 C +ATOM 470 OD1 ASN A 73 83.420 73.819 93.959 1.00 51.83 O +ATOM 471 ND2 ASN A 73 84.307 73.165 92.022 1.00 49.78 N +ATOM 472 N SER A 74 84.913 69.651 92.566 1.00 51.38 N +ATOM 473 CA SER A 74 84.210 68.904 91.517 1.00 49.97 C +ATOM 474 C SER A 74 83.536 67.653 92.044 1.00 58.19 C +ATOM 475 O SER A 74 82.441 67.314 91.619 1.00 55.98 O +ATOM 476 CB SER A 74 85.168 68.514 90.409 1.00 53.86 C +ATOM 477 OG SER A 74 84.459 67.914 89.351 1.00 62.08 O +ATOM 478 N MET A 75 84.198 66.954 92.959 1.00 61.26 N +ATOM 479 CA MET A 75 83.598 65.780 93.574 1.00 64.88 C +ATOM 480 C MET A 75 82.427 66.155 94.492 1.00 62.79 C +ATOM 481 O MET A 75 81.421 65.476 94.491 1.00 72.84 O +ATOM 482 CB MET A 75 84.645 64.969 94.330 1.00 53.64 C +ATOM 483 CG MET A 75 85.785 64.482 93.445 1.00 68.92 C +ATOM 484 SD MET A 75 87.025 63.636 94.447 1.00 70.51 S +ATOM 485 CE MET A 75 86.351 61.922 94.314 1.00 90.98 C +ATOM 486 N ASP A 76 82.545 67.242 95.257 1.00 64.68 N +ATOM 487 CA ASP A 76 81.465 67.628 96.192 1.00 64.02 C +ATOM 488 C ASP A 76 81.463 69.138 96.486 1.00 37.33 C +ATOM 489 O ASP A 76 82.056 69.581 97.516 1.00 68.17 O +ATOM 490 CB ASP A 76 81.598 66.839 97.524 1.00 67.67 C +ATOM 491 CG ASP A 76 80.385 67.012 98.482 1.00 85.17 C +ATOM 492 OD1 ASP A 76 79.462 67.880 98.271 1.00 93.82 O +ATOM 493 OD2 ASP A 76 80.302 66.312 99.525 1.00 71.71 O +ATOM 494 N PRO A 77 80.793 69.906 95.586 1.00 36.17 N +ATOM 495 CA PRO A 77 80.829 71.384 95.614 1.00 53.96 C +ATOM 496 C PRO A 77 80.284 72.004 96.892 1.00 61.19 C +ATOM 497 O PRO A 77 80.585 73.177 97.174 1.00 73.13 O +ATOM 498 CB PRO A 77 79.973 71.791 94.403 1.00 60.46 C +ATOM 499 CG PRO A 77 79.159 70.604 94.083 1.00 56.34 C +ATOM 500 CD PRO A 77 79.985 69.411 94.426 1.00 48.89 C +ATOM 501 N GLU A 78 79.518 71.219 97.650 1.00 64.47 N +ATOM 502 CA GLU A 78 78.986 71.661 98.930 1.00 79.73 C +ATOM 503 C GLU A 78 80.099 71.769 99.976 1.00 68.90 C +ATOM 504 O GLU A 78 80.126 72.714 100.766 1.00 76.57 O +ATOM 505 CB GLU A 78 77.864 70.719 99.406 1.00 82.03 C +ATOM 506 CG GLU A 78 77.004 71.288 100.533 1.00105.90 C +ATOM 507 CD GLU A 78 75.519 71.316 100.180 1.00125.90 C +ATOM 508 OE1 GLU A 78 74.923 72.422 100.183 1.00111.26 O +ATOM 509 OE2 GLU A 78 74.944 70.232 99.910 1.00127.69 O +ATOM 510 N SER A 79 81.010 70.800 99.969 1.00 62.92 N +ATOM 511 CA SER A 79 82.119 70.756 100.919 1.00 70.48 C +ATOM 512 C SER A 79 83.162 71.832 100.653 1.00 73.54 C +ATOM 513 O SER A 79 83.528 72.583 101.560 1.00 80.64 O +ATOM 514 CB SER A 79 82.816 69.392 100.863 1.00 80.82 C +ATOM 515 OG SER A 79 81.911 68.329 101.143 1.00 85.71 O +ATOM 516 N THR A 80 83.618 71.901 99.399 1.00 58.77 N +ATOM 517 CA THR A 80 84.777 72.709 98.992 1.00 58.13 C +ATOM 518 C THR A 80 84.482 73.722 97.884 1.00 49.78 C +ATOM 519 O THR A 80 84.031 73.341 96.803 1.00 55.72 O +ATOM 520 CB THR A 80 85.836 71.752 98.415 1.00 63.44 C +ATOM 521 OG1 THR A 80 86.130 70.726 99.368 1.00 62.61 O +ATOM 522 CG2 THR A 80 87.163 72.470 98.171 1.00 47.81 C +ATOM 523 N PRO A 81 84.786 74.998 98.108 1.00 59.49 N +ATOM 524 CA PRO A 81 84.609 76.002 97.053 1.00 57.56 C +ATOM 525 C PRO A 81 85.651 75.881 95.939 1.00 59.46 C +ATOM 526 O PRO A 81 86.708 75.235 96.125 1.00 52.78 O +ATOM 527 CB PRO A 81 84.769 77.325 97.804 1.00 57.78 C +ATOM 528 CG PRO A 81 85.691 77.009 98.896 1.00 55.23 C +ATOM 529 CD PRO A 81 85.314 75.600 99.350 1.00 66.03 C +ATOM 530 N PRO A 82 85.353 76.478 94.783 1.00 57.30 N +ATOM 531 CA PRO A 82 86.317 76.519 93.676 1.00 50.60 C +ATOM 532 C PRO A 82 87.466 77.435 94.003 1.00 57.90 C +ATOM 533 O PRO A 82 87.338 78.312 94.861 1.00 57.60 O +ATOM 534 CB PRO A 82 85.508 77.129 92.521 1.00 65.97 C +ATOM 535 CG PRO A 82 84.413 77.910 93.183 1.00 58.54 C +ATOM 536 CD PRO A 82 84.079 77.141 94.430 1.00 61.37 C +ATOM 537 N THR A 83 88.583 77.240 93.315 1.00 51.10 N +ATOM 538 CA THR A 83 89.650 78.196 93.399 1.00 57.75 C +ATOM 539 C THR A 83 89.200 79.471 92.696 1.00 54.08 C +ATOM 540 O THR A 83 88.107 79.564 92.134 1.00 55.23 O +ATOM 541 CB THR A 83 90.917 77.677 92.709 1.00 59.14 C +ATOM 542 OG1 THR A 83 90.588 77.339 91.366 1.00 63.88 O +ATOM 543 CG2 THR A 83 91.381 76.383 93.320 1.00 61.26 C +ATOM 544 N CYS A 84 90.096 80.441 92.698 1.00 57.71 N +ATOM 545 CA CYS A 84 89.773 81.750 92.212 1.00 57.07 C +ATOM 546 C CYS A 84 90.726 82.285 91.155 1.00 55.49 C +ATOM 547 O CYS A 84 91.929 82.023 91.207 1.00 51.32 O +ATOM 548 CB CYS A 84 89.817 82.676 93.389 1.00 62.35 C +ATOM 549 SG CYS A 84 88.281 83.515 93.405 1.00 79.57 S +ATOM 550 N CYS A 85 90.167 83.058 90.229 1.00 48.09 N +ATOM 551 CA CYS A 85 90.901 83.650 89.126 1.00 53.34 C +ATOM 552 C CYS A 85 91.620 84.930 89.583 1.00 52.30 C +ATOM 553 O CYS A 85 90.964 85.892 89.936 1.00 57.37 O +ATOM 554 CB CYS A 85 89.896 84.007 88.009 1.00 47.04 C +ATOM 555 SG CYS A 85 90.736 84.605 86.520 1.00 62.59 S +ATOM 556 N VAL A 86 92.951 84.940 89.582 1.00 53.58 N +ATOM 557 CA VAL A 86 93.728 86.067 90.102 1.00 51.62 C +ATOM 558 C VAL A 86 94.997 86.338 89.299 1.00 56.27 C +ATOM 559 O VAL A 86 95.410 85.497 88.531 1.00 53.11 O +ATOM 560 CB VAL A 86 94.155 85.829 91.559 1.00 57.56 C +ATOM 561 CG1 VAL A 86 92.933 85.821 92.477 1.00 54.19 C +ATOM 562 CG2 VAL A 86 95.036 84.558 91.684 1.00 53.59 C +ATOM 563 N PRO A 87 95.618 87.511 89.467 1.00 61.23 N +ATOM 564 CA PRO A 87 96.881 87.792 88.775 1.00 55.09 C +ATOM 565 C PRO A 87 97.997 86.898 89.257 1.00 59.62 C +ATOM 566 O PRO A 87 98.177 86.791 90.455 1.00 56.98 O +ATOM 567 CB PRO A 87 97.184 89.243 89.162 1.00 54.80 C +ATOM 568 CG PRO A 87 95.807 89.824 89.567 1.00 58.92 C +ATOM 569 CD PRO A 87 95.146 88.673 90.261 1.00 56.24 C +ATOM 570 N THR A 88 98.746 86.288 88.345 1.00 55.76 N +ATOM 571 CA THR A 88 99.896 85.461 88.738 1.00 59.65 C +ATOM 572 C THR A 88 101.223 86.120 88.374 1.00 62.50 C +ATOM 573 O THR A 88 102.267 85.741 88.893 1.00 63.13 O +ATOM 574 CB THR A 88 99.824 84.087 88.072 1.00 55.27 C +ATOM 575 OG1 THR A 88 99.618 84.253 86.670 1.00 55.36 O +ATOM 576 CG2 THR A 88 98.563 83.353 88.509 1.00 59.62 C +ATOM 577 N ARG A 89 101.181 87.092 87.469 1.00 51.07 N +ATOM 578 CA ARG A 89 102.363 87.883 87.148 1.00 59.89 C +ATOM 579 C ARG A 89 101.943 89.328 87.060 1.00 59.46 C +ATOM 580 O ARG A 89 100.948 89.650 86.421 1.00 58.24 O +ATOM 581 CB ARG A 89 102.932 87.500 85.793 1.00 61.72 C +ATOM 582 CG ARG A 89 103.926 86.361 85.793 1.00 75.48 C +ATOM 583 CD ARG A 89 104.360 85.920 84.376 1.00 79.93 C +ATOM 584 NE ARG A 89 104.914 84.559 84.354 1.00 85.56 N +ATOM 585 CZ ARG A 89 104.187 83.438 84.409 1.00 87.79 C +ATOM 586 NH1 ARG A 89 102.861 83.493 84.474 1.00 68.78 N +ATOM 587 NH2 ARG A 89 104.786 82.251 84.394 1.00 69.05 N +ATOM 588 N LEU A 90 102.689 90.203 87.712 1.00 60.34 N +ATOM 589 CA LEU A 90 102.419 91.622 87.576 1.00 63.72 C +ATOM 590 C LEU A 90 103.679 92.371 87.215 1.00 59.28 C +ATOM 591 O LEU A 90 104.797 91.885 87.441 1.00 58.70 O +ATOM 592 CB LEU A 90 101.790 92.190 88.848 1.00 65.23 C +ATOM 593 CG LEU A 90 100.493 91.494 89.270 1.00 61.01 C +ATOM 594 CD1 LEU A 90 100.730 90.757 90.555 1.00 62.38 C +ATOM 595 CD2 LEU A 90 99.364 92.480 89.431 1.00 60.75 C +ATOM 596 N SER A 91 103.502 93.547 86.629 1.00 54.52 N +ATOM 597 CA SER A 91 104.654 94.360 86.255 1.00 57.94 C +ATOM 598 C SER A 91 104.530 95.805 86.768 1.00 53.57 C +ATOM 599 O SER A 91 103.433 96.263 87.120 1.00 59.59 O +ATOM 600 CB SER A 91 104.916 94.258 84.750 1.00 64.58 C +ATOM 601 OG SER A 91 103.821 94.738 83.999 1.00 75.76 O +ATOM 602 N PRO A 92 105.652 96.504 86.899 1.00 61.67 N +ATOM 603 CA PRO A 92 105.608 97.850 87.474 1.00 59.04 C +ATOM 604 C PRO A 92 105.141 98.898 86.473 1.00 45.86 C +ATOM 605 O PRO A 92 105.080 98.619 85.287 1.00 56.80 O +ATOM 606 CB PRO A 92 107.059 98.097 87.866 1.00 51.76 C +ATOM 607 CG PRO A 92 107.853 97.329 86.836 1.00 60.60 C +ATOM 608 CD PRO A 92 107.030 96.105 86.541 1.00 58.28 C +ATOM 609 N ILE A 93 104.753 100.066 86.969 1.00 54.64 N +ATOM 610 CA ILE A 93 104.771 101.266 86.154 1.00 59.10 C +ATOM 611 C ILE A 93 105.516 102.345 86.897 1.00 58.52 C +ATOM 612 O ILE A 93 105.725 102.256 88.116 1.00 53.69 O +ATOM 613 CB ILE A 93 103.367 101.796 85.768 1.00 59.71 C +ATOM 614 CG1 ILE A 93 102.569 102.179 87.002 1.00 63.44 C +ATOM 615 CG2 ILE A 93 102.627 100.844 84.841 1.00 72.47 C +ATOM 616 CD1 ILE A 93 101.518 103.201 86.679 1.00 66.01 C +ATOM 617 N SER A 94 105.910 103.370 86.145 1.00 60.92 N +ATOM 618 CA SER A 94 106.597 104.499 86.712 1.00 54.80 C +ATOM 619 C SER A 94 105.717 105.748 86.634 1.00 56.06 C +ATOM 620 O SER A 94 104.999 105.950 85.653 1.00 57.28 O +ATOM 621 CB SER A 94 107.915 104.705 85.974 1.00 48.32 C +ATOM 622 OG SER A 94 108.832 103.695 86.323 1.00 67.94 O +ATOM 623 N ILE A 95 105.750 106.565 87.683 1.00 45.43 N +ATOM 624 CA ILE A 95 104.954 107.778 87.707 1.00 53.85 C +ATOM 625 C ILE A 95 105.791 109.040 87.856 1.00 48.91 C +ATOM 626 O ILE A 95 106.608 109.145 88.764 1.00 50.09 O +ATOM 627 CB ILE A 95 103.925 107.713 88.856 1.00 51.27 C +ATOM 628 CG1 ILE A 95 102.959 106.532 88.654 1.00 64.64 C +ATOM 629 CG2 ILE A 95 103.183 109.017 88.925 1.00 49.88 C +ATOM 630 CD1 ILE A 95 102.020 106.280 89.843 1.00 60.53 C +ATOM 631 N LEU A 96 105.548 110.001 86.975 1.00 52.50 N +ATOM 632 CA LEU A 96 106.269 111.264 86.984 1.00 51.97 C +ATOM 633 C LEU A 96 105.420 112.278 87.706 1.00 54.73 C +ATOM 634 O LEU A 96 104.287 112.541 87.297 1.00 52.54 O +ATOM 635 CB LEU A 96 106.591 111.732 85.554 1.00 50.55 C +ATOM 636 CG LEU A 96 107.461 112.983 85.389 1.00 51.73 C +ATOM 637 CD1 LEU A 96 108.909 112.675 85.758 1.00 59.21 C +ATOM 638 CD2 LEU A 96 107.408 113.511 83.967 1.00 44.35 C +ATOM 639 N PHE A 97 105.961 112.835 88.790 1.00 48.48 N +ATOM 640 CA PHE A 97 105.234 113.816 89.585 1.00 54.61 C +ATOM 641 C PHE A 97 106.158 114.815 90.269 1.00 56.45 C +ATOM 642 O PHE A 97 107.369 114.600 90.386 1.00 61.34 O +ATOM 643 CB PHE A 97 104.339 113.139 90.640 1.00 50.29 C +ATOM 644 CG PHE A 97 105.097 112.329 91.640 1.00 49.49 C +ATOM 645 CD1 PHE A 97 105.526 112.897 92.827 1.00 53.93 C +ATOM 646 CD2 PHE A 97 105.410 110.999 91.389 1.00 59.83 C +ATOM 647 CE1 PHE A 97 106.232 112.140 93.769 1.00 56.20 C +ATOM 648 CE2 PHE A 97 106.134 110.247 92.315 1.00 54.88 C +ATOM 649 CZ PHE A 97 106.529 110.816 93.508 1.00 49.48 C +ATOM 650 N ILE A 98 105.552 115.907 90.718 1.00 51.47 N +ATOM 651 CA ILE A 98 106.209 116.925 91.511 1.00 56.29 C +ATOM 652 C ILE A 98 105.906 116.652 92.982 1.00 57.76 C +ATOM 653 O ILE A 98 104.759 116.466 93.343 1.00 64.45 O +ATOM 654 CB ILE A 98 105.659 118.284 91.069 1.00 62.92 C +ATOM 655 CG1 ILE A 98 106.326 118.692 89.760 1.00 58.40 C +ATOM 656 CG2 ILE A 98 105.867 119.354 92.133 1.00 80.76 C +ATOM 657 CD1 ILE A 98 105.369 119.269 88.798 1.00 80.83 C +ATOM 658 N ASP A 99 106.921 116.599 93.832 1.00 61.19 N +ATOM 659 CA ASP A 99 106.655 116.420 95.255 1.00 62.00 C +ATOM 660 C ASP A 99 106.409 117.768 95.940 1.00 61.98 C +ATOM 661 O ASP A 99 106.396 118.806 95.273 1.00 60.77 O +ATOM 662 CB ASP A 99 107.748 115.580 95.943 1.00 56.45 C +ATOM 663 CG ASP A 99 109.118 116.276 95.981 1.00 72.86 C +ATOM 664 OD1 ASP A 99 109.242 117.483 95.647 1.00 59.27 O +ATOM 665 OD2 ASP A 99 110.149 115.667 96.340 1.00 65.33 O +ATOM 666 N SER A 100 106.204 117.750 97.259 1.00 77.41 N +ATOM 667 CA SER A 100 105.963 118.972 98.045 1.00 69.10 C +ATOM 668 C SER A 100 107.121 119.973 97.988 1.00 81.79 C +ATOM 669 O SER A 100 106.901 121.194 97.908 1.00 80.99 O +ATOM 670 CB SER A 100 105.673 118.618 99.506 1.00 67.96 C +ATOM 671 OG SER A 100 105.766 117.209 99.708 1.00 92.00 O +ATOM 672 N ALA A 101 108.350 119.453 98.034 1.00 79.98 N +ATOM 673 CA ALA A 101 109.553 120.284 97.927 1.00 74.28 C +ATOM 674 C ALA A 101 109.740 120.843 96.514 1.00 75.86 C +ATOM 675 O ALA A 101 110.662 121.627 96.269 1.00 68.21 O +ATOM 676 CB ALA A 101 110.785 119.495 98.354 1.00 72.02 C +ATOM 677 N ASN A 102 108.877 120.424 95.583 1.00 64.78 N +ATOM 678 CA ASN A 102 108.925 120.943 94.225 1.00 69.61 C +ATOM 679 C ASN A 102 110.030 120.299 93.372 1.00 50.35 C +ATOM 680 O ASN A 102 110.515 120.884 92.400 1.00 56.07 O +ATOM 681 CB ASN A 102 109.073 122.468 94.258 1.00 64.49 C +ATOM 682 CG ASN A 102 108.411 123.132 93.093 1.00 93.57 C +ATOM 683 OD1 ASN A 102 107.250 122.835 92.777 1.00 87.22 O +ATOM 684 ND2 ASN A 102 109.142 124.033 92.428 1.00 73.55 N +ATOM 685 N ASN A 103 110.434 119.100 93.773 1.00 53.69 N +ATOM 686 CA ASN A 103 111.342 118.282 92.993 1.00 53.94 C +ATOM 687 C ASN A 103 110.537 117.467 91.994 1.00 58.57 C +ATOM 688 O ASN A 103 109.425 117.037 92.306 1.00 48.91 O +ATOM 689 CB ASN A 103 112.110 117.318 93.900 1.00 47.08 C +ATOM 690 CG ASN A 103 112.905 118.029 94.973 1.00 45.70 C +ATOM 691 OD1 ASN A 103 113.324 119.172 94.803 1.00 48.34 O +ATOM 692 ND2 ASN A 103 113.136 117.342 96.081 1.00 60.77 N +ATOM 693 N VAL A 104 111.104 117.259 90.803 1.00 55.58 N +ATOM 694 CA VAL A 104 110.514 116.350 89.822 1.00 44.02 C +ATOM 695 C VAL A 104 111.008 114.942 90.074 1.00 41.72 C +ATOM 696 O VAL A 104 112.183 114.637 89.906 1.00 39.01 O +ATOM 697 CB VAL A 104 110.806 116.768 88.367 1.00 49.78 C +ATOM 698 CG1 VAL A 104 109.934 115.987 87.416 1.00 44.84 C +ATOM 699 CG2 VAL A 104 110.596 118.273 88.177 1.00 46.64 C +ATOM 700 N VAL A 105 110.073 114.075 90.456 1.00 46.70 N +ATOM 701 CA VAL A 105 110.370 112.704 90.813 1.00 39.55 C +ATOM 702 C VAL A 105 109.805 111.769 89.755 1.00 51.66 C +ATOM 703 O VAL A 105 108.733 112.020 89.195 1.00 53.58 O +ATOM 704 CB VAL A 105 109.726 112.359 92.193 1.00 50.67 C +ATOM 705 CG1 VAL A 105 110.202 111.018 92.685 1.00 53.37 C +ATOM 706 CG2 VAL A 105 110.082 113.431 93.227 1.00 56.45 C +ATOM 707 N TYR A 106 110.517 110.678 89.496 1.00 51.08 N +ATOM 708 CA TYR A 106 110.034 109.655 88.596 1.00 50.02 C +ATOM 709 C TYR A 106 110.217 108.345 89.308 1.00 58.57 C +ATOM 710 O TYR A 106 111.337 107.830 89.374 1.00 59.68 O +ATOM 711 CB TYR A 106 110.831 109.653 87.285 1.00 52.00 C +ATOM 712 CG TYR A 106 110.290 108.582 86.289 1.00 47.97 C +ATOM 713 CD1 TYR A 106 108.909 108.233 86.190 1.00 43.34 C +ATOM 714 CD2 TYR A 106 111.198 108.035 85.356 1.00 47.75 C +ATOM 715 CE1 TYR A 106 108.392 107.290 85.265 1.00 40.44 C +ATOM 716 CE2 TYR A 106 110.653 106.928 84.412 1.00 86.78 C +ATOM 717 CZ TYR A 106 109.222 106.618 84.407 1.00 56.69 C +ATOM 718 OH TYR A 106 108.668 105.737 83.482 1.00 71.53 O +ATOM 719 N LYS A 107 109.117 107.805 89.833 1.00 54.22 N +ATOM 720 CA LYS A 107 109.166 106.666 90.744 1.00 62.20 C +ATOM 721 C LYS A 107 108.467 105.409 90.211 1.00 62.85 C +ATOM 722 O LYS A 107 107.373 105.464 89.623 1.00 51.00 O +ATOM 723 CB LYS A 107 108.585 107.044 92.111 1.00 58.49 C +ATOM 724 CG LYS A 107 109.093 106.170 93.262 1.00 75.18 C +ATOM 725 CD LYS A 107 108.401 106.495 94.600 1.00 73.02 C +ATOM 726 CE LYS A 107 108.184 105.228 95.464 1.00 90.58 C +ATOM 727 NZ LYS A 107 109.361 104.288 95.486 1.00 70.58 N +ATOM 728 N GLN A 108 109.132 104.279 90.394 1.00 51.11 N +ATOM 729 CA GLN A 108 108.565 103.012 89.995 1.00 59.51 C +ATOM 730 C GLN A 108 107.714 102.421 91.115 1.00 57.10 C +ATOM 731 O GLN A 108 108.115 102.381 92.279 1.00 58.25 O +ATOM 732 CB GLN A 108 109.649 102.030 89.605 1.00 61.90 C +ATOM 733 CG GLN A 108 109.134 100.939 88.714 1.00 68.42 C +ATOM 734 CD GLN A 108 110.228 100.031 88.239 1.00 65.54 C +ATOM 735 OE1 GLN A 108 110.716 99.192 88.996 1.00 70.23 O +ATOM 736 NE2 GLN A 108 110.617 100.185 86.983 1.00 64.36 N +ATOM 737 N TYR A 109 106.525 101.981 90.743 1.00 54.30 N +ATOM 738 CA TYR A 109 105.648 101.286 91.666 1.00 53.25 C +ATOM 739 C TYR A 109 105.491 99.864 91.184 1.00 49.56 C +ATOM 740 O TYR A 109 105.131 99.641 90.030 1.00 54.66 O +ATOM 741 CB TYR A 109 104.292 101.992 91.718 1.00 55.41 C +ATOM 742 CG TYR A 109 104.420 103.350 92.341 1.00 53.30 C +ATOM 743 CD1 TYR A 109 104.725 104.457 91.557 1.00 61.97 C +ATOM 744 CD2 TYR A 109 104.318 103.522 93.710 1.00 56.14 C +ATOM 745 CE1 TYR A 109 104.889 105.708 92.116 1.00 61.47 C +ATOM 746 CE2 TYR A 109 104.482 104.770 94.286 1.00 58.07 C +ATOM 747 CZ TYR A 109 104.759 105.857 93.479 1.00 55.02 C +ATOM 748 OH TYR A 109 104.927 107.100 94.034 1.00 69.56 O +ATOM 749 N GLU A 110 105.762 98.902 92.068 1.00 57.42 N +ATOM 750 CA GLU A 110 105.620 97.489 91.721 1.00 55.96 C +ATOM 751 C GLU A 110 104.151 97.052 91.668 1.00 55.99 C +ATOM 752 O GLU A 110 103.286 97.695 92.277 1.00 59.93 O +ATOM 753 CB GLU A 110 106.377 96.619 92.727 1.00 52.84 C +ATOM 754 CG GLU A 110 107.825 97.042 92.946 1.00 64.91 C +ATOM 755 CD GLU A 110 108.654 96.971 91.675 1.00 68.58 C +ATOM 756 OE1 GLU A 110 108.672 95.898 91.029 1.00 73.84 O +ATOM 757 OE2 GLU A 110 109.283 97.995 91.319 1.00 74.79 O +ATOM 758 N ASP A 111 103.885 95.970 90.932 1.00 51.18 N +ATOM 759 CA ASP A 111 102.604 95.262 90.950 1.00 53.61 C +ATOM 760 C ASP A 111 101.442 96.127 90.533 1.00 58.99 C +ATOM 761 O ASP A 111 100.421 96.149 91.215 1.00 55.84 O +ATOM 762 CB ASP A 111 102.306 94.698 92.348 1.00 62.05 C +ATOM 763 CG ASP A 111 103.423 93.813 92.859 1.00 70.68 C +ATOM 764 OD1 ASP A 111 103.948 93.013 92.054 1.00 61.62 O +ATOM 765 OD2 ASP A 111 103.857 93.877 94.026 1.00 67.17 O +ATOM 766 N MET A 112 101.587 96.812 89.407 1.00 56.59 N +ATOM 767 CA MET A 112 100.567 97.730 88.957 1.00 54.51 C +ATOM 768 C MET A 112 99.738 97.203 87.798 1.00 49.82 C +ATOM 769 O MET A 112 98.576 97.563 87.662 1.00 55.76 O +ATOM 770 CB MET A 112 101.216 99.074 88.582 1.00 61.22 C +ATOM 771 CG MET A 112 101.816 99.816 89.777 1.00 47.81 C +ATOM 772 SD MET A 112 100.582 100.451 90.901 1.00 59.05 S +ATOM 773 CE MET A 112 100.162 102.012 90.093 1.00 58.66 C +ATOM 774 N VAL A 113 100.338 96.361 86.966 1.00 47.65 N +ATOM 775 CA VAL A 113 99.695 95.910 85.734 1.00 52.80 C +ATOM 776 C VAL A 113 99.656 94.386 85.757 1.00 62.59 C +ATOM 777 O VAL A 113 100.678 93.743 85.995 1.00 56.72 O +ATOM 778 CB VAL A 113 100.480 96.388 84.478 1.00 54.99 C +ATOM 779 CG1 VAL A 113 99.829 95.913 83.189 1.00 46.22 C +ATOM 780 CG2 VAL A 113 100.576 97.894 84.451 1.00 51.42 C +ATOM 781 N VAL A 114 98.478 93.814 85.536 1.00 55.02 N +ATOM 782 CA VAL A 114 98.344 92.375 85.449 1.00 54.13 C +ATOM 783 C VAL A 114 98.929 91.890 84.128 1.00 53.75 C +ATOM 784 O VAL A 114 98.506 92.345 83.063 1.00 58.37 O +ATOM 785 CB VAL A 114 96.871 91.942 85.558 1.00 63.53 C +ATOM 786 CG1 VAL A 114 96.721 90.431 85.304 1.00 60.37 C +ATOM 787 CG2 VAL A 114 96.323 92.316 86.914 1.00 50.36 C +ATOM 788 N GLU A 115 99.916 90.992 84.188 1.00 51.55 N +ATOM 789 CA GLU A 115 100.455 90.412 82.947 1.00 58.65 C +ATOM 790 C GLU A 115 99.885 89.040 82.634 1.00 57.65 C +ATOM 791 O GLU A 115 99.776 88.675 81.469 1.00 69.45 O +ATOM 792 CB GLU A 115 101.984 90.379 82.938 1.00 56.88 C +ATOM 793 CG GLU A 115 102.658 91.734 83.143 1.00 72.61 C +ATOM 794 CD GLU A 115 102.635 92.675 81.925 1.00 78.54 C +ATOM 795 OE1 GLU A 115 101.966 92.396 80.906 1.00 72.04 O +ATOM 796 OE2 GLU A 115 103.301 93.733 81.990 1.00 73.29 O +ATOM 797 N SER A 116 99.526 88.278 83.663 1.00 55.72 N +ATOM 798 CA SER A 116 98.899 86.977 83.459 1.00 57.91 C +ATOM 799 C SER A 116 97.949 86.622 84.598 1.00 50.20 C +ATOM 800 O SER A 116 98.148 87.046 85.731 1.00 57.24 O +ATOM 801 CB SER A 116 99.952 85.863 83.258 1.00 59.52 C +ATOM 802 OG SER A 116 100.650 85.601 84.466 1.00 64.44 O +ATOM 803 N CYS A 117 96.910 85.859 84.252 1.00 59.03 N +ATOM 804 CA CYS A 117 95.878 85.400 85.175 1.00 56.44 C +ATOM 805 C CYS A 117 96.023 83.897 85.421 1.00 63.61 C +ATOM 806 O CYS A 117 96.603 83.163 84.612 1.00 59.81 O +ATOM 807 CB CYS A 117 94.474 85.729 84.626 1.00 53.65 C +ATOM 808 SG CYS A 117 94.067 87.517 84.714 1.00 76.83 S +ATOM 809 N GLY A 118 95.517 83.436 86.553 1.00 56.22 N +ATOM 810 CA GLY A 118 95.597 82.027 86.865 1.00 58.67 C +ATOM 811 C GLY A 118 94.617 81.673 87.951 1.00 58.91 C +ATOM 812 O GLY A 118 94.077 82.549 88.623 1.00 54.53 O +ATOM 813 N CYS A 119 94.399 80.379 88.116 1.00 54.07 N +ATOM 814 CA CYS A 119 93.459 79.862 89.094 1.00 64.76 C +ATOM 815 C CYS A 119 94.253 79.485 90.327 1.00 54.82 C +ATOM 816 O CYS A 119 95.243 78.751 90.225 1.00 66.27 O +ATOM 817 CB CYS A 119 92.702 78.654 88.504 1.00 58.96 C +ATOM 818 SG CYS A 119 91.365 79.233 87.399 1.00 68.25 S +ATOM 819 N ARG A 120 93.855 80.016 91.479 1.00 58.10 N +ATOM 820 CA ARG A 120 94.612 79.832 92.715 1.00 57.02 C +ATOM 821 C ARG A 120 93.758 79.531 93.946 1.00 68.39 C +ATOM 822 O ARG A 120 94.261 78.795 94.815 1.00 67.47 O +ATOM 823 CB ARG A 120 95.521 81.032 93.005 1.00 55.09 C +ATOM 824 CG ARG A 120 96.635 81.286 91.965 1.00 59.51 C +ATOM 825 CD ARG A 120 97.796 80.315 92.100 1.00 72.03 C +ATOM 826 NE ARG A 120 98.961 80.555 91.244 1.00 61.97 N +ATOM 827 CZ ARG A 120 99.062 80.123 89.991 1.00 72.64 C +ATOM 828 NH1 ARG A 120 98.045 79.484 89.421 1.00 71.46 N +ATOM 829 NH2 ARG A 120 100.171 80.334 89.294 1.00 63.33 N +ATOM 830 OXT ARG A 120 92.619 80.014 94.121 1.00 67.98 O Added: SwiftApps/modFTdock/input/indata/1wgl-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1wgl-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1wgl-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,828 @@ +ATOM 1 N GLY A 1 -19.856 -0.820 8.533 1.00 0.00 N +ATOM 2 CA GLY A 1 -19.288 -2.127 8.252 1.00 0.00 C +ATOM 3 C GLY A 1 -18.089 -2.013 7.308 1.00 0.00 C +ATOM 4 O GLY A 1 -18.136 -1.275 6.325 1.00 0.00 O +ATOM 5 H1 GLY A 1 -19.381 -0.052 8.104 1.00 0.00 H +ATOM 6 HA2 GLY A 1 -18.978 -2.601 9.183 1.00 0.00 H +ATOM 7 HA3 GLY A 1 -20.047 -2.770 7.805 1.00 0.00 H +ATOM 8 N SER A 2 -17.042 -2.755 7.640 1.00 0.00 N +ATOM 9 CA SER A 2 -15.833 -2.746 6.835 1.00 0.00 C +ATOM 10 C SER A 2 -15.296 -1.318 6.712 1.00 0.00 C +ATOM 11 O SER A 2 -15.539 -0.644 5.713 1.00 0.00 O +ATOM 12 CB SER A 2 -16.091 -3.336 5.447 1.00 0.00 C +ATOM 13 OG SER A 2 -15.040 -3.034 4.534 1.00 0.00 O +ATOM 14 H SER A 2 -17.012 -3.352 8.442 1.00 0.00 H +ATOM 15 HA SER A 2 -15.124 -3.376 7.371 1.00 0.00 H +ATOM 16 HB2 SER A 2 -16.201 -4.418 5.528 1.00 0.00 H +ATOM 17 HB3 SER A 2 -17.033 -2.949 5.058 1.00 0.00 H +ATOM 18 HG SER A 2 -15.260 -3.394 3.628 1.00 0.00 H +ATOM 19 N SER A 3 -14.577 -0.900 7.744 1.00 0.00 N +ATOM 20 CA SER A 3 -14.004 0.435 7.764 1.00 0.00 C +ATOM 21 C SER A 3 -12.584 0.387 8.331 1.00 0.00 C +ATOM 22 O SER A 3 -11.634 0.802 7.670 1.00 0.00 O +ATOM 23 CB SER A 3 -14.871 1.394 8.584 1.00 0.00 C +ATOM 24 OG SER A 3 -14.856 2.715 8.050 1.00 0.00 O +ATOM 25 H SER A 3 -14.385 -1.455 8.553 1.00 0.00 H +ATOM 26 HA SER A 3 -13.990 0.759 6.723 1.00 0.00 H +ATOM 27 HB2 SER A 3 -15.896 1.025 8.609 1.00 0.00 H +ATOM 28 HB3 SER A 3 -14.514 1.414 9.613 1.00 0.00 H +ATOM 29 HG SER A 3 -15.550 3.275 8.503 1.00 0.00 H +ATOM 30 N GLY A 4 -12.485 -0.124 9.550 1.00 0.00 N +ATOM 31 CA GLY A 4 -11.197 -0.232 10.213 1.00 0.00 C +ATOM 32 C GLY A 4 -11.256 -1.239 11.364 1.00 0.00 C +ATOM 33 O GLY A 4 -11.600 -0.881 12.489 1.00 0.00 O +ATOM 34 H GLY A 4 -13.263 -0.459 10.081 1.00 0.00 H +ATOM 35 HA2 GLY A 4 -10.438 -0.541 9.494 1.00 0.00 H +ATOM 36 HA3 GLY A 4 -10.897 0.744 10.594 1.00 0.00 H +ATOM 37 N SER A 5 -10.914 -2.478 11.042 1.00 0.00 N +ATOM 38 CA SER A 5 -10.924 -3.539 12.035 1.00 0.00 C +ATOM 39 C SER A 5 -10.250 -3.058 13.321 1.00 0.00 C +ATOM 40 O SER A 5 -10.891 -2.973 14.368 1.00 0.00 O +ATOM 41 CB SER A 5 -10.225 -4.793 11.507 1.00 0.00 C +ATOM 42 OG SER A 5 -10.475 -5.930 12.330 1.00 0.00 O +ATOM 43 H SER A 5 -10.635 -2.760 10.124 1.00 0.00 H +ATOM 44 HA SER A 5 -11.977 -3.758 12.213 1.00 0.00 H +ATOM 45 HB2 SER A 5 -10.566 -4.999 10.492 1.00 0.00 H +ATOM 46 HB3 SER A 5 -9.151 -4.615 11.452 1.00 0.00 H +ATOM 47 HG SER A 5 -9.661 -6.149 12.867 1.00 0.00 H +ATOM 48 N SER A 6 -8.965 -2.755 13.201 1.00 0.00 N +ATOM 49 CA SER A 6 -8.198 -2.285 14.342 1.00 0.00 C +ATOM 50 C SER A 6 -6.828 -1.783 13.879 1.00 0.00 C +ATOM 51 O SER A 6 -5.878 -2.558 13.787 1.00 0.00 O +ATOM 52 CB SER A 6 -8.033 -3.389 15.388 1.00 0.00 C +ATOM 53 OG SER A 6 -8.110 -2.881 16.717 1.00 0.00 O +ATOM 54 H SER A 6 -8.452 -2.827 12.346 1.00 0.00 H +ATOM 55 HA SER A 6 -8.782 -1.468 14.765 1.00 0.00 H +ATOM 56 HB2 SER A 6 -8.806 -4.144 15.243 1.00 0.00 H +ATOM 57 HB3 SER A 6 -7.073 -3.884 15.244 1.00 0.00 H +ATOM 58 HG SER A 6 -8.088 -3.635 17.373 1.00 0.00 H +ATOM 59 N GLY A 7 -6.771 -0.489 13.602 1.00 0.00 N +ATOM 60 CA GLY A 7 -5.533 0.126 13.151 1.00 0.00 C +ATOM 61 C GLY A 7 -4.876 -0.709 12.050 1.00 0.00 C +ATOM 62 O GLY A 7 -5.559 -1.231 11.171 1.00 0.00 O +ATOM 63 H GLY A 7 -7.548 0.135 13.680 1.00 0.00 H +ATOM 64 HA2 GLY A 7 -5.736 1.130 12.780 1.00 0.00 H +ATOM 65 HA3 GLY A 7 -4.848 0.230 13.992 1.00 0.00 H +ATOM 66 N CYS A 8 -3.557 -0.807 12.134 1.00 0.00 N +ATOM 67 CA CYS A 8 -2.800 -1.569 11.156 1.00 0.00 C +ATOM 68 C CYS A 8 -3.457 -2.942 11.003 1.00 0.00 C +ATOM 69 O CYS A 8 -4.321 -3.313 11.796 1.00 0.00 O +ATOM 70 CB CYS A 8 -1.325 -1.683 11.546 1.00 0.00 C +ATOM 71 SG CYS A 8 -1.172 -2.451 13.200 1.00 0.00 S +ATOM 72 H CYS A 8 -3.009 -0.379 12.853 1.00 0.00 H +ATOM 73 HA CYS A 8 -2.846 -1.011 10.221 1.00 0.00 H +ATOM 74 HB2 CYS A 8 -0.790 -2.280 10.808 1.00 0.00 H +ATOM 75 HB3 CYS A 8 -0.864 -0.695 11.551 1.00 0.00 H +ATOM 76 HG CYS A 8 -0.286 -3.376 12.842 1.00 0.00 H +ATOM 77 N SER A 9 -3.023 -3.660 9.978 1.00 0.00 N +ATOM 78 CA SER A 9 -3.558 -4.984 9.711 1.00 0.00 C +ATOM 79 C SER A 9 -2.609 -5.757 8.792 1.00 0.00 C +ATOM 80 O SER A 9 -1.866 -5.158 8.016 1.00 0.00 O +ATOM 81 CB SER A 9 -4.951 -4.899 9.084 1.00 0.00 C +ATOM 82 OG SER A 9 -5.982 -5.125 10.041 1.00 0.00 O +ATOM 83 H SER A 9 -2.319 -3.351 9.337 1.00 0.00 H +ATOM 84 HA SER A 9 -3.627 -5.469 10.684 1.00 0.00 H +ATOM 85 HB2 SER A 9 -5.086 -3.916 8.632 1.00 0.00 H +ATOM 86 HB3 SER A 9 -5.033 -5.632 8.282 1.00 0.00 H +ATOM 87 HG SER A 9 -5.624 -5.655 10.811 1.00 0.00 H +ATOM 88 N GLU A 10 -2.665 -7.075 8.911 1.00 0.00 N +ATOM 89 CA GLU A 10 -1.820 -7.936 8.101 1.00 0.00 C +ATOM 90 C GLU A 10 -2.520 -8.281 6.785 1.00 0.00 C +ATOM 91 O GLU A 10 -1.864 -8.597 5.793 1.00 0.00 O +ATOM 92 CB GLU A 10 -1.434 -9.203 8.866 1.00 0.00 C +ATOM 93 CG GLU A 10 -0.132 -9.000 9.642 1.00 0.00 C +ATOM 94 CD GLU A 10 -0.412 -8.525 11.070 1.00 0.00 C +ATOM 95 OE1 GLU A 10 -1.323 -7.682 11.218 1.00 0.00 O +ATOM 96 OE2 GLU A 10 0.291 -9.016 11.979 1.00 0.00 O +ATOM 97 H GLU A 10 -3.272 -7.554 9.545 1.00 0.00 H +ATOM 98 HA GLU A 10 -0.921 -7.353 7.900 1.00 0.00 H +ATOM 99 HB2 GLU A 10 -2.234 -9.474 9.555 1.00 0.00 H +ATOM 100 HB3 GLU A 10 -1.321 -10.033 8.169 1.00 0.00 H +ATOM 101 HG2 GLU A 10 0.429 -9.935 9.670 1.00 0.00 H +ATOM 102 HG3 GLU A 10 0.492 -8.270 9.128 1.00 0.00 H +ATOM 103 N GLU A 11 -3.842 -8.209 6.819 1.00 0.00 N +ATOM 104 CA GLU A 11 -4.639 -8.510 5.641 1.00 0.00 C +ATOM 105 C GLU A 11 -4.528 -7.375 4.621 1.00 0.00 C +ATOM 106 O GLU A 11 -4.009 -7.572 3.523 1.00 0.00 O +ATOM 107 CB GLU A 11 -6.099 -8.768 6.018 1.00 0.00 C +ATOM 108 CG GLU A 11 -6.400 -10.267 6.054 1.00 0.00 C +ATOM 109 CD GLU A 11 -7.884 -10.523 6.323 1.00 0.00 C +ATOM 110 OE1 GLU A 11 -8.469 -9.720 7.082 1.00 0.00 O +ATOM 111 OE2 GLU A 11 -8.400 -11.514 5.764 1.00 0.00 O +ATOM 112 H GLU A 11 -4.368 -7.951 7.630 1.00 0.00 H +ATOM 113 HA GLU A 11 -4.210 -9.423 5.228 1.00 0.00 H +ATOM 114 HB2 GLU A 11 -6.310 -8.328 6.993 1.00 0.00 H +ATOM 115 HB3 GLU A 11 -6.756 -8.279 5.299 1.00 0.00 H +ATOM 116 HG2 GLU A 11 -6.115 -10.722 5.105 1.00 0.00 H +ATOM 117 HG3 GLU A 11 -5.799 -10.744 6.828 1.00 0.00 H +ATOM 118 N ASP A 12 -5.023 -6.213 5.020 1.00 0.00 N +ATOM 119 CA ASP A 12 -4.986 -5.047 4.154 1.00 0.00 C +ATOM 120 C ASP A 12 -3.578 -4.890 3.577 1.00 0.00 C +ATOM 121 O ASP A 12 -3.416 -4.523 2.414 1.00 0.00 O +ATOM 122 CB ASP A 12 -5.324 -3.773 4.931 1.00 0.00 C +ATOM 123 CG ASP A 12 -6.789 -3.339 4.855 1.00 0.00 C +ATOM 124 OD1 ASP A 12 -7.553 -4.039 4.156 1.00 0.00 O +ATOM 125 OD2 ASP A 12 -7.112 -2.317 5.498 1.00 0.00 O +ATOM 126 H ASP A 12 -5.444 -6.062 5.914 1.00 0.00 H +ATOM 127 HA ASP A 12 -5.733 -5.239 3.383 1.00 0.00 H +ATOM 128 HB2 ASP A 12 -5.058 -3.923 5.977 1.00 0.00 H +ATOM 129 HB3 ASP A 12 -4.700 -2.961 4.557 1.00 0.00 H +ATOM 130 N LEU A 13 -2.594 -5.175 4.418 1.00 0.00 N +ATOM 131 CA LEU A 13 -1.204 -5.070 4.006 1.00 0.00 C +ATOM 132 C LEU A 13 -0.958 -5.998 2.815 1.00 0.00 C +ATOM 133 O LEU A 13 -0.769 -5.536 1.692 1.00 0.00 O +ATOM 134 CB LEU A 13 -0.273 -5.330 5.192 1.00 0.00 C +ATOM 135 CG LEU A 13 0.667 -4.184 5.571 1.00 0.00 C +ATOM 136 CD1 LEU A 13 1.304 -4.427 6.940 1.00 0.00 C +ATOM 137 CD2 LEU A 13 1.717 -3.953 4.483 1.00 0.00 C +ATOM 138 H LEU A 13 -2.734 -5.472 5.362 1.00 0.00 H +ATOM 139 HA LEU A 13 -1.036 -4.042 3.684 1.00 0.00 H +ATOM 140 HB2 LEU A 13 -0.884 -5.575 6.061 1.00 0.00 H +ATOM 141 HB3 LEU A 13 0.331 -6.210 4.968 1.00 0.00 H +ATOM 142 HG LEU A 13 0.077 -3.270 5.649 1.00 0.00 H +ATOM 143 HD11 LEU A 13 0.574 -4.220 7.723 1.00 0.00 H +ATOM 144 HD12 LEU A 13 1.627 -5.466 7.011 1.00 0.00 H +ATOM 145 HD13 LEU A 13 2.165 -3.770 7.063 1.00 0.00 H +ATOM 146 HD21 LEU A 13 2.504 -4.702 4.573 1.00 0.00 H +ATOM 147 HD22 LEU A 13 1.248 -4.035 3.502 1.00 0.00 H +ATOM 148 HD23 LEU A 13 2.147 -2.958 4.598 1.00 0.00 H +ATOM 149 N LYS A 14 -0.968 -7.292 3.103 1.00 0.00 N +ATOM 150 CA LYS A 14 -0.748 -8.289 2.069 1.00 0.00 C +ATOM 151 C LYS A 14 -1.460 -7.855 0.787 1.00 0.00 C +ATOM 152 O LYS A 14 -0.916 -7.993 -0.307 1.00 0.00 O +ATOM 153 CB LYS A 14 -1.164 -9.675 2.565 1.00 0.00 C +ATOM 154 CG LYS A 14 -0.254 -10.761 1.988 1.00 0.00 C +ATOM 155 CD LYS A 14 -0.619 -11.066 0.534 1.00 0.00 C +ATOM 156 CE LYS A 14 0.628 -11.405 -0.285 1.00 0.00 C +ATOM 157 NZ LYS A 14 1.196 -12.701 0.147 1.00 0.00 N +ATOM 158 H LYS A 14 -1.122 -7.660 4.019 1.00 0.00 H +ATOM 159 HA LYS A 14 0.324 -8.326 1.874 1.00 0.00 H +ATOM 160 HB2 LYS A 14 -1.124 -9.704 3.654 1.00 0.00 H +ATOM 161 HB3 LYS A 14 -2.198 -9.872 2.280 1.00 0.00 H +ATOM 162 HG2 LYS A 14 0.785 -10.438 2.045 1.00 0.00 H +ATOM 163 HG3 LYS A 14 -0.339 -11.668 2.586 1.00 0.00 H +ATOM 164 HD2 LYS A 14 -1.319 -11.901 0.498 1.00 0.00 H +ATOM 165 HD3 LYS A 14 -1.125 -10.207 0.094 1.00 0.00 H +ATOM 166 HE2 LYS A 14 0.374 -11.448 -1.344 1.00 0.00 H +ATOM 167 HE3 LYS A 14 1.372 -10.617 -0.167 1.00 0.00 H +ATOM 168 HZ1 LYS A 14 1.168 -13.348 -0.614 1.00 0.00 H +ATOM 169 HZ2 LYS A 14 2.144 -12.569 0.438 1.00 0.00 H +ATOM 170 HZ3 LYS A 14 0.661 -13.061 0.911 1.00 0.00 H +ATOM 171 N ALA A 15 -2.668 -7.340 0.965 1.00 0.00 N +ATOM 172 CA ALA A 15 -3.461 -6.885 -0.165 1.00 0.00 C +ATOM 173 C ALA A 15 -2.616 -5.948 -1.030 1.00 0.00 C +ATOM 174 O ALA A 15 -2.507 -6.144 -2.240 1.00 0.00 O +ATOM 175 CB ALA A 15 -4.738 -6.214 0.345 1.00 0.00 C +ATOM 176 H ALA A 15 -3.104 -7.231 1.858 1.00 0.00 H +ATOM 177 HA ALA A 15 -3.735 -7.761 -0.752 1.00 0.00 H +ATOM 178 HB1 ALA A 15 -4.711 -6.160 1.434 1.00 0.00 H +ATOM 179 HB2 ALA A 15 -4.810 -5.208 -0.067 1.00 0.00 H +ATOM 180 HB3 ALA A 15 -5.604 -6.797 0.032 1.00 0.00 H +ATOM 181 N ILE A 16 -2.041 -4.949 -0.377 1.00 0.00 N +ATOM 182 CA ILE A 16 -1.209 -3.981 -1.073 1.00 0.00 C +ATOM 183 C ILE A 16 -0.035 -4.705 -1.734 1.00 0.00 C +ATOM 184 O ILE A 16 0.214 -4.532 -2.926 1.00 0.00 O +ATOM 185 CB ILE A 16 -0.784 -2.859 -0.123 1.00 0.00 C +ATOM 186 CG1 ILE A 16 -2.003 -2.189 0.514 1.00 0.00 C +ATOM 187 CG2 ILE A 16 0.119 -1.850 -0.835 1.00 0.00 C +ATOM 188 CD1 ILE A 16 -1.590 -1.311 1.697 1.00 0.00 C +ATOM 189 H ILE A 16 -2.134 -4.796 0.606 1.00 0.00 H +ATOM 190 HA ILE A 16 -1.819 -3.528 -1.854 1.00 0.00 H +ATOM 191 HB ILE A 16 -0.200 -3.300 0.685 1.00 0.00 H +ATOM 192 HG12 ILE A 16 -2.519 -1.583 -0.230 1.00 0.00 H +ATOM 193 HG13 ILE A 16 -2.707 -2.950 0.850 1.00 0.00 H +ATOM 194 HG21 ILE A 16 -0.460 -1.311 -1.585 1.00 0.00 H +ATOM 195 HG22 ILE A 16 0.519 -1.144 -0.108 1.00 0.00 H +ATOM 196 HG23 ILE A 16 0.940 -2.377 -1.320 1.00 0.00 H +ATOM 197 HD11 ILE A 16 -1.155 -0.383 1.326 1.00 0.00 H +ATOM 198 HD12 ILE A 16 -2.466 -1.084 2.305 1.00 0.00 H +ATOM 199 HD13 ILE A 16 -0.855 -1.840 2.303 1.00 0.00 H +ATOM 200 N GLN A 17 0.656 -5.501 -0.930 1.00 0.00 N +ATOM 201 CA GLN A 17 1.798 -6.252 -1.422 1.00 0.00 C +ATOM 202 C GLN A 17 1.505 -6.812 -2.816 1.00 0.00 C +ATOM 203 O GLN A 17 2.285 -6.614 -3.745 1.00 0.00 O +ATOM 204 CB GLN A 17 2.178 -7.371 -0.451 1.00 0.00 C +ATOM 205 CG GLN A 17 3.608 -7.189 0.063 1.00 0.00 C +ATOM 206 CD GLN A 17 4.579 -8.108 -0.681 1.00 0.00 C +ATOM 207 OE1 GLN A 17 4.677 -9.295 -0.417 1.00 0.00 O +ATOM 208 NE2 GLN A 17 5.290 -7.495 -1.624 1.00 0.00 N +ATOM 209 H GLN A 17 0.447 -5.636 0.038 1.00 0.00 H +ATOM 210 HA GLN A 17 2.616 -5.534 -1.477 1.00 0.00 H +ATOM 211 HB2 GLN A 17 1.485 -7.379 0.390 1.00 0.00 H +ATOM 212 HB3 GLN A 17 2.087 -8.337 -0.948 1.00 0.00 H +ATOM 213 HG2 GLN A 17 3.915 -6.151 -0.065 1.00 0.00 H +ATOM 214 HG3 GLN A 17 3.645 -7.404 1.131 1.00 0.00 H +ATOM 215 HE21 GLN A 17 5.161 -6.517 -1.790 1.00 0.00 H +ATOM 216 HE22 GLN A 17 5.953 -8.012 -2.166 1.00 0.00 H +ATOM 217 N ASP A 18 0.377 -7.501 -2.916 1.00 0.00 N +ATOM 218 CA ASP A 18 -0.029 -8.091 -4.181 1.00 0.00 C +ATOM 219 C ASP A 18 -0.012 -7.016 -5.269 1.00 0.00 C +ATOM 220 O ASP A 18 0.528 -7.233 -6.353 1.00 0.00 O +ATOM 221 CB ASP A 18 -1.449 -8.655 -4.095 1.00 0.00 C +ATOM 222 CG ASP A 18 -1.702 -9.902 -4.943 1.00 0.00 C +ATOM 223 OD1 ASP A 18 -0.796 -10.244 -5.734 1.00 0.00 O +ATOM 224 OD2 ASP A 18 -2.795 -10.486 -4.782 1.00 0.00 O +ATOM 225 H ASP A 18 -0.252 -7.658 -2.155 1.00 0.00 H +ATOM 226 HA ASP A 18 0.691 -8.887 -4.369 1.00 0.00 H +ATOM 227 HB2 ASP A 18 -1.667 -8.891 -3.053 1.00 0.00 H +ATOM 228 HB3 ASP A 18 -2.151 -7.878 -4.399 1.00 0.00 H +ATOM 229 N MET A 19 -0.610 -5.879 -4.943 1.00 0.00 N +ATOM 230 CA MET A 19 -0.670 -4.770 -5.879 1.00 0.00 C +ATOM 231 C MET A 19 0.729 -4.230 -6.180 1.00 0.00 C +ATOM 232 O MET A 19 1.052 -3.936 -7.330 1.00 0.00 O +ATOM 233 CB MET A 19 -1.534 -3.652 -5.292 1.00 0.00 C +ATOM 234 CG MET A 19 -3.021 -3.927 -5.529 1.00 0.00 C +ATOM 235 SD MET A 19 -3.592 -3.009 -6.949 1.00 0.00 S +ATOM 236 CE MET A 19 -3.525 -1.350 -6.294 1.00 0.00 C +ATOM 237 H MET A 19 -1.046 -5.711 -4.059 1.00 0.00 H +ATOM 238 HA MET A 19 -1.113 -5.178 -6.788 1.00 0.00 H +ATOM 239 HB2 MET A 19 -1.343 -3.564 -4.223 1.00 0.00 H +ATOM 240 HB3 MET A 19 -1.260 -2.700 -5.745 1.00 0.00 H +ATOM 241 HG2 MET A 19 -3.182 -4.993 -5.686 1.00 0.00 H +ATOM 242 HG3 MET A 19 -3.596 -3.644 -4.647 1.00 0.00 H +ATOM 243 HE1 MET A 19 -3.178 -1.381 -5.261 1.00 0.00 H +ATOM 244 HE2 MET A 19 -2.836 -0.751 -6.890 1.00 0.00 H +ATOM 245 HE3 MET A 19 -4.519 -0.904 -6.330 1.00 0.00 H +ATOM 246 N PHE A 20 1.523 -4.114 -5.126 1.00 0.00 N +ATOM 247 CA PHE A 20 2.881 -3.614 -5.262 1.00 0.00 C +ATOM 248 C PHE A 20 3.888 -4.584 -4.641 1.00 0.00 C +ATOM 249 O PHE A 20 4.399 -4.339 -3.550 1.00 0.00 O +ATOM 250 CB PHE A 20 2.944 -2.282 -4.512 1.00 0.00 C +ATOM 251 CG PHE A 20 1.863 -1.282 -4.926 1.00 0.00 C +ATOM 252 CD1 PHE A 20 1.830 -0.804 -6.199 1.00 0.00 C +ATOM 253 CD2 PHE A 20 0.934 -0.872 -4.021 1.00 0.00 C +ATOM 254 CE1 PHE A 20 0.826 0.124 -6.583 1.00 0.00 C +ATOM 255 CE2 PHE A 20 -0.070 0.056 -4.405 1.00 0.00 C +ATOM 256 CZ PHE A 20 -0.103 0.534 -5.678 1.00 0.00 C +ATOM 257 H PHE A 20 1.254 -4.355 -4.193 1.00 0.00 H +ATOM 258 HA PHE A 20 3.084 -3.516 -6.329 1.00 0.00 H +ATOM 259 HB2 PHE A 20 2.857 -2.474 -3.443 1.00 0.00 H +ATOM 260 HB3 PHE A 20 3.923 -1.831 -4.675 1.00 0.00 H +ATOM 261 HD1 PHE A 20 2.574 -1.133 -6.924 1.00 0.00 H +ATOM 262 HD2 PHE A 20 0.960 -1.255 -3.001 1.00 0.00 H +ATOM 263 HE1 PHE A 20 0.800 0.507 -7.603 1.00 0.00 H +ATOM 264 HE2 PHE A 20 -0.814 0.386 -3.680 1.00 0.00 H +ATOM 265 HZ PHE A 20 -0.873 1.247 -5.973 1.00 0.00 H +ATOM 266 N PRO A 21 4.149 -5.694 -5.383 1.00 0.00 N +ATOM 267 CA PRO A 21 5.085 -6.702 -4.916 1.00 0.00 C +ATOM 268 C PRO A 21 6.530 -6.220 -5.066 1.00 0.00 C +ATOM 269 O PRO A 21 7.375 -6.509 -4.221 1.00 0.00 O +ATOM 270 CB PRO A 21 4.782 -7.937 -5.750 1.00 0.00 C +ATOM 271 CG PRO A 21 4.011 -7.441 -6.962 1.00 0.00 C +ATOM 272 CD PRO A 21 3.562 -6.017 -6.680 1.00 0.00 C +ATOM 273 HA PRO A 21 4.954 -6.873 -3.940 1.00 0.00 H +ATOM 274 HB2 PRO A 21 5.700 -8.441 -6.050 1.00 0.00 H +ATOM 275 HB3 PRO A 21 4.194 -8.657 -5.181 1.00 0.00 H +ATOM 276 HG2 PRO A 21 4.638 -7.474 -7.853 1.00 0.00 H +ATOM 277 HG3 PRO A 21 3.150 -8.082 -7.155 1.00 0.00 H +ATOM 278 HD2 PRO A 21 3.908 -5.332 -7.453 1.00 0.00 H +ATOM 279 HD3 PRO A 21 2.474 -5.943 -6.652 1.00 0.00 H +ATOM 280 N ASN A 22 6.768 -5.494 -6.148 1.00 0.00 N +ATOM 281 CA ASN A 22 8.095 -4.969 -6.420 1.00 0.00 C +ATOM 282 C ASN A 22 8.542 -4.091 -5.249 1.00 0.00 C +ATOM 283 O ASN A 22 9.682 -4.184 -4.798 1.00 0.00 O +ATOM 284 CB ASN A 22 8.099 -4.107 -7.684 1.00 0.00 C +ATOM 285 CG ASN A 22 6.918 -3.135 -7.688 1.00 0.00 C +ATOM 286 OD1 ASN A 22 7.002 -2.012 -7.217 1.00 0.00 O +ATOM 287 ND2 ASN A 22 5.815 -3.626 -8.245 1.00 0.00 N +ATOM 288 H ASN A 22 6.075 -5.263 -6.831 1.00 0.00 H +ATOM 289 HA ASN A 22 8.729 -5.846 -6.549 1.00 0.00 H +ATOM 290 HB2 ASN A 22 9.034 -3.550 -7.746 1.00 0.00 H +ATOM 291 HB3 ASN A 22 8.051 -4.747 -8.565 1.00 0.00 H +ATOM 292 HD21 ASN A 22 5.812 -4.556 -8.614 1.00 0.00 H +ATOM 293 HD22 ASN A 22 4.988 -3.066 -8.296 1.00 0.00 H +ATOM 294 N MET A 23 7.619 -3.259 -4.789 1.00 0.00 N +ATOM 295 CA MET A 23 7.903 -2.366 -3.679 1.00 0.00 C +ATOM 296 C MET A 23 8.508 -3.131 -2.500 1.00 0.00 C +ATOM 297 O MET A 23 8.616 -4.356 -2.540 1.00 0.00 O +ATOM 298 CB MET A 23 6.610 -1.679 -3.232 1.00 0.00 C +ATOM 299 CG MET A 23 6.181 -0.610 -4.239 1.00 0.00 C +ATOM 300 SD MET A 23 7.222 0.831 -4.080 1.00 0.00 S +ATOM 301 CE MET A 23 6.416 1.645 -2.711 1.00 0.00 C +ATOM 302 H MET A 23 6.693 -3.190 -5.161 1.00 0.00 H +ATOM 303 HA MET A 23 8.624 -1.644 -4.061 1.00 0.00 H +ATOM 304 HB2 MET A 23 5.819 -2.421 -3.124 1.00 0.00 H +ATOM 305 HB3 MET A 23 6.756 -1.224 -2.253 1.00 0.00 H +ATOM 306 HG2 MET A 23 6.247 -1.006 -5.253 1.00 0.00 H +ATOM 307 HG3 MET A 23 5.139 -0.338 -4.071 1.00 0.00 H +ATOM 308 HE1 MET A 23 5.484 1.129 -2.479 1.00 0.00 H +ATOM 309 HE2 MET A 23 7.070 1.623 -1.839 1.00 0.00 H +ATOM 310 HE3 MET A 23 6.201 2.680 -2.978 1.00 0.00 H +ATOM 311 N ASP A 24 8.886 -2.378 -1.478 1.00 0.00 N +ATOM 312 CA ASP A 24 9.477 -2.970 -0.290 1.00 0.00 C +ATOM 313 C ASP A 24 8.413 -3.079 0.804 1.00 0.00 C +ATOM 314 O ASP A 24 7.658 -2.136 1.037 1.00 0.00 O +ATOM 315 CB ASP A 24 10.619 -2.105 0.246 1.00 0.00 C +ATOM 316 CG ASP A 24 12.023 -2.665 0.005 1.00 0.00 C +ATOM 317 OD1 ASP A 24 12.102 -3.752 -0.607 1.00 0.00 O +ATOM 318 OD2 ASP A 24 12.984 -1.993 0.438 1.00 0.00 O +ATOM 319 H ASP A 24 8.794 -1.382 -1.453 1.00 0.00 H +ATOM 320 HA ASP A 24 9.848 -3.943 -0.610 1.00 0.00 H +ATOM 321 HB2 ASP A 24 10.554 -1.118 -0.213 1.00 0.00 H +ATOM 322 HB3 ASP A 24 10.479 -1.967 1.318 1.00 0.00 H +ATOM 323 N GLN A 25 8.387 -4.237 1.446 1.00 0.00 N +ATOM 324 CA GLN A 25 7.428 -4.482 2.510 1.00 0.00 C +ATOM 325 C GLN A 25 7.568 -3.422 3.605 1.00 0.00 C +ATOM 326 O GLN A 25 6.621 -2.690 3.891 1.00 0.00 O +ATOM 327 CB GLN A 25 7.594 -5.889 3.086 1.00 0.00 C +ATOM 328 CG GLN A 25 7.005 -6.940 2.143 1.00 0.00 C +ATOM 329 CD GLN A 25 7.947 -8.137 1.999 1.00 0.00 C +ATOM 330 OE1 GLN A 25 9.115 -8.005 1.672 1.00 0.00 O +ATOM 331 NE2 GLN A 25 7.375 -9.310 2.260 1.00 0.00 N +ATOM 332 H GLN A 25 9.005 -4.999 1.251 1.00 0.00 H +ATOM 333 HA GLN A 25 6.448 -4.401 2.041 1.00 0.00 H +ATOM 334 HB2 GLN A 25 8.652 -6.096 3.251 1.00 0.00 H +ATOM 335 HB3 GLN A 25 7.102 -5.950 4.056 1.00 0.00 H +ATOM 336 HG2 GLN A 25 6.040 -7.276 2.523 1.00 0.00 H +ATOM 337 HG3 GLN A 25 6.824 -6.495 1.164 1.00 0.00 H +ATOM 338 HE21 GLN A 25 6.411 -9.349 2.523 1.00 0.00 H +ATOM 339 HE22 GLN A 25 7.910 -10.152 2.193 1.00 0.00 H +ATOM 340 N GLU A 26 8.757 -3.373 4.188 1.00 0.00 N +ATOM 341 CA GLU A 26 9.033 -2.415 5.245 1.00 0.00 C +ATOM 342 C GLU A 26 8.463 -1.042 4.880 1.00 0.00 C +ATOM 343 O GLU A 26 8.035 -0.291 5.754 1.00 0.00 O +ATOM 344 CB GLU A 26 10.534 -2.327 5.528 1.00 0.00 C +ATOM 345 CG GLU A 26 10.982 -3.453 6.462 1.00 0.00 C +ATOM 346 CD GLU A 26 12.292 -3.092 7.166 1.00 0.00 C +ATOM 347 OE1 GLU A 26 12.354 -1.967 7.707 1.00 0.00 O +ATOM 348 OE2 GLU A 26 13.202 -3.950 7.146 1.00 0.00 O +ATOM 349 H GLU A 26 9.522 -3.971 3.950 1.00 0.00 H +ATOM 350 HA GLU A 26 8.525 -2.803 6.128 1.00 0.00 H +ATOM 351 HB2 GLU A 26 11.088 -2.386 4.591 1.00 0.00 H +ATOM 352 HB3 GLU A 26 10.768 -1.362 5.977 1.00 0.00 H +ATOM 353 HG2 GLU A 26 10.207 -3.644 7.205 1.00 0.00 H +ATOM 354 HG3 GLU A 26 11.112 -4.373 5.893 1.00 0.00 H +ATOM 355 N VAL A 27 8.476 -0.757 3.586 1.00 0.00 N +ATOM 356 CA VAL A 27 7.966 0.512 3.094 1.00 0.00 C +ATOM 357 C VAL A 27 6.437 0.485 3.118 1.00 0.00 C +ATOM 358 O VAL A 27 5.808 1.319 3.767 1.00 0.00 O +ATOM 359 CB VAL A 27 8.538 0.802 1.705 1.00 0.00 C +ATOM 360 CG1 VAL A 27 7.954 2.095 1.132 1.00 0.00 C +ATOM 361 CG2 VAL A 27 10.066 0.860 1.742 1.00 0.00 C +ATOM 362 H VAL A 27 8.827 -1.373 2.881 1.00 0.00 H +ATOM 363 HA VAL A 27 8.314 1.291 3.772 1.00 0.00 H +ATOM 364 HB VAL A 27 8.250 -0.017 1.046 1.00 0.00 H +ATOM 365 HG11 VAL A 27 8.757 2.812 0.961 1.00 0.00 H +ATOM 366 HG12 VAL A 27 7.453 1.880 0.188 1.00 0.00 H +ATOM 367 HG13 VAL A 27 7.237 2.514 1.837 1.00 0.00 H +ATOM 368 HG21 VAL A 27 10.456 -0.079 2.137 1.00 0.00 H +ATOM 369 HG22 VAL A 27 10.449 1.016 0.733 1.00 0.00 H +ATOM 370 HG23 VAL A 27 10.384 1.683 2.382 1.00 0.00 H +ATOM 371 N ILE A 28 5.882 -0.482 2.401 1.00 0.00 N +ATOM 372 CA ILE A 28 4.438 -0.628 2.332 1.00 0.00 C +ATOM 373 C ILE A 28 3.842 -0.421 3.725 1.00 0.00 C +ATOM 374 O ILE A 28 2.913 0.368 3.896 1.00 0.00 O +ATOM 375 CB ILE A 28 4.066 -1.969 1.696 1.00 0.00 C +ATOM 376 CG1 ILE A 28 4.519 -2.028 0.236 1.00 0.00 C +ATOM 377 CG2 ILE A 28 2.569 -2.248 1.843 1.00 0.00 C +ATOM 378 CD1 ILE A 28 4.570 -3.474 -0.264 1.00 0.00 C +ATOM 379 H ILE A 28 6.401 -1.156 1.876 1.00 0.00 H +ATOM 380 HA ILE A 28 4.062 0.156 1.675 1.00 0.00 H +ATOM 381 HB ILE A 28 4.594 -2.759 2.230 1.00 0.00 H +ATOM 382 HG12 ILE A 28 3.836 -1.449 -0.385 1.00 0.00 H +ATOM 383 HG13 ILE A 28 5.504 -1.571 0.138 1.00 0.00 H +ATOM 384 HG21 ILE A 28 2.378 -3.307 1.669 1.00 0.00 H +ATOM 385 HG22 ILE A 28 2.246 -1.982 2.850 1.00 0.00 H +ATOM 386 HG23 ILE A 28 2.015 -1.654 1.116 1.00 0.00 H +ATOM 387 HD11 ILE A 28 3.558 -3.823 -0.468 1.00 0.00 H +ATOM 388 HD12 ILE A 28 5.162 -3.521 -1.178 1.00 0.00 H +ATOM 389 HD13 ILE A 28 5.027 -4.106 0.498 1.00 0.00 H +ATOM 390 N ARG A 29 4.399 -1.144 4.686 1.00 0.00 N +ATOM 391 CA ARG A 29 3.933 -1.049 6.059 1.00 0.00 C +ATOM 392 C ARG A 29 4.200 0.351 6.615 1.00 0.00 C +ATOM 393 O ARG A 29 3.363 0.913 7.320 1.00 0.00 O +ATOM 394 CB ARG A 29 4.627 -2.083 6.948 1.00 0.00 C +ATOM 395 CG ARG A 29 4.670 -3.452 6.266 1.00 0.00 C +ATOM 396 CD ARG A 29 4.660 -4.581 7.299 1.00 0.00 C +ATOM 397 NE ARG A 29 4.492 -5.886 6.622 1.00 0.00 N +ATOM 398 CZ ARG A 29 4.108 -7.010 7.242 1.00 0.00 C +ATOM 399 NH1 ARG A 29 3.852 -6.996 8.557 1.00 0.00 N +ATOM 400 NH2 ARG A 29 3.982 -8.149 6.547 1.00 0.00 N +ATOM 401 H ARG A 29 5.154 -1.783 4.539 1.00 0.00 H +ATOM 402 HA ARG A 29 2.864 -1.253 6.005 1.00 0.00 H +ATOM 403 HB2 ARG A 29 5.641 -1.753 7.174 1.00 0.00 H +ATOM 404 HB3 ARG A 29 4.099 -2.163 7.899 1.00 0.00 H +ATOM 405 HG2 ARG A 29 3.814 -3.557 5.599 1.00 0.00 H +ATOM 406 HG3 ARG A 29 5.565 -3.527 5.649 1.00 0.00 H +ATOM 407 HD2 ARG A 29 5.591 -4.573 7.866 1.00 0.00 H +ATOM 408 HD3 ARG A 29 3.851 -4.425 8.012 1.00 0.00 H +ATOM 409 HE ARG A 29 4.675 -5.931 5.640 1.00 0.00 H +ATOM 410 HH11 ARG A 29 3.946 -6.146 9.076 1.00 0.00 H +ATOM 411 HH12 ARG A 29 3.566 -7.835 9.020 1.00 0.00 H +ATOM 412 HH21 ARG A 29 4.173 -8.159 5.565 1.00 0.00 H +ATOM 413 HH22 ARG A 29 3.696 -8.988 7.010 1.00 0.00 H +ATOM 414 N SER A 30 5.369 0.875 6.276 1.00 0.00 N +ATOM 415 CA SER A 30 5.756 2.199 6.732 1.00 0.00 C +ATOM 416 C SER A 30 4.730 3.234 6.265 1.00 0.00 C +ATOM 417 O SER A 30 4.681 4.345 6.790 1.00 0.00 O +ATOM 418 CB SER A 30 7.152 2.570 6.227 1.00 0.00 C +ATOM 419 OG SER A 30 7.609 3.802 6.777 1.00 0.00 O +ATOM 420 H SER A 30 6.044 0.412 5.702 1.00 0.00 H +ATOM 421 HA SER A 30 5.768 2.137 7.821 1.00 0.00 H +ATOM 422 HB2 SER A 30 7.853 1.776 6.485 1.00 0.00 H +ATOM 423 HB3 SER A 30 7.137 2.640 5.140 1.00 0.00 H +ATOM 424 HG SER A 30 7.018 4.079 7.535 1.00 0.00 H +ATOM 425 N VAL A 31 3.937 2.833 5.283 1.00 0.00 N +ATOM 426 CA VAL A 31 2.916 3.711 4.740 1.00 0.00 C +ATOM 427 C VAL A 31 1.588 3.446 5.453 1.00 0.00 C +ATOM 428 O VAL A 31 0.992 4.359 6.022 1.00 0.00 O +ATOM 429 CB VAL A 31 2.825 3.533 3.223 1.00 0.00 C +ATOM 430 CG1 VAL A 31 1.647 4.322 2.647 1.00 0.00 C +ATOM 431 CG2 VAL A 31 4.137 3.933 2.545 1.00 0.00 C +ATOM 432 H VAL A 31 3.983 1.927 4.862 1.00 0.00 H +ATOM 433 HA VAL A 31 3.223 4.737 4.941 1.00 0.00 H +ATOM 434 HB VAL A 31 2.652 2.476 3.019 1.00 0.00 H +ATOM 435 HG11 VAL A 31 1.113 3.703 1.926 1.00 0.00 H +ATOM 436 HG12 VAL A 31 0.972 4.606 3.454 1.00 0.00 H +ATOM 437 HG13 VAL A 31 2.019 5.219 2.151 1.00 0.00 H +ATOM 438 HG21 VAL A 31 4.024 3.860 1.463 1.00 0.00 H +ATOM 439 HG22 VAL A 31 4.388 4.959 2.815 1.00 0.00 H +ATOM 440 HG23 VAL A 31 4.934 3.266 2.873 1.00 0.00 H +ATOM 441 N LEU A 32 1.164 2.192 5.398 1.00 0.00 N +ATOM 442 CA LEU A 32 -0.082 1.795 6.032 1.00 0.00 C +ATOM 443 C LEU A 32 -0.094 2.292 7.479 1.00 0.00 C +ATOM 444 O LEU A 32 -1.120 2.762 7.969 1.00 0.00 O +ATOM 445 CB LEU A 32 -0.294 0.286 5.898 1.00 0.00 C +ATOM 446 CG LEU A 32 -1.352 -0.327 6.817 1.00 0.00 C +ATOM 447 CD1 LEU A 32 -2.736 -0.281 6.167 1.00 0.00 C +ATOM 448 CD2 LEU A 32 -0.961 -1.747 7.233 1.00 0.00 C +ATOM 449 H LEU A 32 1.655 1.455 4.933 1.00 0.00 H +ATOM 450 HA LEU A 32 -0.893 2.284 5.492 1.00 0.00 H +ATOM 451 HB2 LEU A 32 -0.568 0.067 4.866 1.00 0.00 H +ATOM 452 HB3 LEU A 32 0.657 -0.213 6.088 1.00 0.00 H +ATOM 453 HG LEU A 32 -1.403 0.272 7.726 1.00 0.00 H +ATOM 454 HD11 LEU A 32 -3.048 -1.292 5.905 1.00 0.00 H +ATOM 455 HD12 LEU A 32 -3.452 0.150 6.867 1.00 0.00 H +ATOM 456 HD13 LEU A 32 -2.695 0.332 5.267 1.00 0.00 H +ATOM 457 HD21 LEU A 32 -1.211 -1.899 8.284 1.00 0.00 H +ATOM 458 HD22 LEU A 32 -1.505 -2.467 6.623 1.00 0.00 H +ATOM 459 HD23 LEU A 32 0.110 -1.885 7.091 1.00 0.00 H +ATOM 460 N GLU A 33 1.058 2.171 8.122 1.00 0.00 N +ATOM 461 CA GLU A 33 1.193 2.602 9.503 1.00 0.00 C +ATOM 462 C GLU A 33 1.122 4.127 9.592 1.00 0.00 C +ATOM 463 O GLU A 33 0.536 4.671 10.527 1.00 0.00 O +ATOM 464 CB GLU A 33 2.492 2.076 10.117 1.00 0.00 C +ATOM 465 CG GLU A 33 2.234 0.827 10.961 1.00 0.00 C +ATOM 466 CD GLU A 33 2.228 1.165 12.454 1.00 0.00 C +ATOM 467 OE1 GLU A 33 3.220 1.782 12.900 1.00 0.00 O +ATOM 468 OE2 GLU A 33 1.232 0.800 13.115 1.00 0.00 O +ATOM 469 H GLU A 33 1.888 1.787 7.716 1.00 0.00 H +ATOM 470 HA GLU A 33 0.346 2.160 10.028 1.00 0.00 H +ATOM 471 HB2 GLU A 33 3.205 1.844 9.325 1.00 0.00 H +ATOM 472 HB3 GLU A 33 2.945 2.851 10.736 1.00 0.00 H +ATOM 473 HG2 GLU A 33 1.277 0.386 10.681 1.00 0.00 H +ATOM 474 HG3 GLU A 33 3.001 0.081 10.757 1.00 0.00 H +ATOM 475 N ALA A 34 1.726 4.775 8.607 1.00 0.00 N +ATOM 476 CA ALA A 34 1.739 6.227 8.563 1.00 0.00 C +ATOM 477 C ALA A 34 0.411 6.727 7.989 1.00 0.00 C +ATOM 478 O ALA A 34 0.153 7.929 7.969 1.00 0.00 O +ATOM 479 CB ALA A 34 2.943 6.703 7.747 1.00 0.00 C +ATOM 480 H ALA A 34 2.200 4.325 7.850 1.00 0.00 H +ATOM 481 HA ALA A 34 1.842 6.590 9.586 1.00 0.00 H +ATOM 482 HB1 ALA A 34 2.719 7.672 7.301 1.00 0.00 H +ATOM 483 HB2 ALA A 34 3.810 6.796 8.401 1.00 0.00 H +ATOM 484 HB3 ALA A 34 3.156 5.980 6.960 1.00 0.00 H +ATOM 485 N GLN A 35 -0.395 5.779 7.536 1.00 0.00 N +ATOM 486 CA GLN A 35 -1.690 6.108 6.963 1.00 0.00 C +ATOM 487 C GLN A 35 -2.815 5.627 7.882 1.00 0.00 C +ATOM 488 O GLN A 35 -3.792 5.042 7.419 1.00 0.00 O +ATOM 489 CB GLN A 35 -1.836 5.513 5.561 1.00 0.00 C +ATOM 490 CG GLN A 35 -0.838 6.147 4.590 1.00 0.00 C +ATOM 491 CD GLN A 35 -1.237 7.585 4.254 1.00 0.00 C +ATOM 492 OE1 GLN A 35 -2.404 7.938 4.207 1.00 0.00 O +ATOM 493 NE2 GLN A 35 -0.206 8.393 4.024 1.00 0.00 N +ATOM 494 H GLN A 35 -0.178 4.803 7.556 1.00 0.00 H +ATOM 495 HA GLN A 35 -1.708 7.195 6.894 1.00 0.00 H +ATOM 496 HB2 GLN A 35 -1.676 4.436 5.601 1.00 0.00 H +ATOM 497 HB3 GLN A 35 -2.851 5.672 5.199 1.00 0.00 H +ATOM 498 HG2 GLN A 35 0.160 6.136 5.030 1.00 0.00 H +ATOM 499 HG3 GLN A 35 -0.789 5.556 3.676 1.00 0.00 H +ATOM 500 HE21 GLN A 35 0.728 8.040 4.079 1.00 0.00 H +ATOM 501 HE22 GLN A 35 -0.365 9.354 3.797 1.00 0.00 H +ATOM 502 N ARG A 36 -2.638 5.892 9.169 1.00 0.00 N +ATOM 503 CA ARG A 36 -3.627 5.494 10.157 1.00 0.00 C +ATOM 504 C ARG A 36 -4.189 4.112 9.818 1.00 0.00 C +ATOM 505 O ARG A 36 -5.339 3.812 10.134 1.00 0.00 O +ATOM 506 CB ARG A 36 -4.775 6.502 10.224 1.00 0.00 C +ATOM 507 CG ARG A 36 -4.332 7.794 10.914 1.00 0.00 C +ATOM 508 CD ARG A 36 -4.913 7.889 12.326 1.00 0.00 C +ATOM 509 NE ARG A 36 -4.251 8.980 13.074 1.00 0.00 N +ATOM 510 CZ ARG A 36 -3.094 8.843 13.737 1.00 0.00 C +ATOM 511 NH1 ARG A 36 -2.465 7.660 13.748 1.00 0.00 N +ATOM 512 NH2 ARG A 36 -2.566 9.889 14.388 1.00 0.00 N +ATOM 513 H ARG A 36 -1.840 6.368 9.537 1.00 0.00 H +ATOM 514 HA ARG A 36 -3.084 5.476 11.102 1.00 0.00 H +ATOM 515 HB2 ARG A 36 -5.127 6.726 9.217 1.00 0.00 H +ATOM 516 HB3 ARG A 36 -5.615 6.067 10.765 1.00 0.00 H +ATOM 517 HG2 ARG A 36 -3.243 7.829 10.962 1.00 0.00 H +ATOM 518 HG3 ARG A 36 -4.653 8.654 10.326 1.00 0.00 H +ATOM 519 HD2 ARG A 36 -5.986 8.071 12.275 1.00 0.00 H +ATOM 520 HD3 ARG A 36 -4.775 6.942 12.850 1.00 0.00 H +ATOM 521 HE ARG A 36 -4.694 9.877 13.086 1.00 0.00 H +ATOM 522 HH11 ARG A 36 -2.858 6.880 13.262 1.00 0.00 H +ATOM 523 HH12 ARG A 36 -1.602 7.558 14.243 1.00 0.00 H +ATOM 524 HH21 ARG A 36 -3.036 10.772 14.379 1.00 0.00 H +ATOM 525 HH22 ARG A 36 -1.703 9.786 14.882 1.00 0.00 H +ATOM 526 N GLY A 37 -3.352 3.308 9.180 1.00 0.00 N +ATOM 527 CA GLY A 37 -3.751 1.965 8.795 1.00 0.00 C +ATOM 528 C GLY A 37 -4.896 2.003 7.780 1.00 0.00 C +ATOM 529 O GLY A 37 -5.899 1.311 7.944 1.00 0.00 O +ATOM 530 H GLY A 37 -2.418 3.560 8.927 1.00 0.00 H +ATOM 531 HA2 GLY A 37 -2.899 1.437 8.368 1.00 0.00 H +ATOM 532 HA3 GLY A 37 -4.062 1.407 9.678 1.00 0.00 H +ATOM 533 N ASN A 38 -4.707 2.819 6.753 1.00 0.00 N +ATOM 534 CA ASN A 38 -5.711 2.956 5.712 1.00 0.00 C +ATOM 535 C ASN A 38 -5.120 2.498 4.377 1.00 0.00 C +ATOM 536 O ASN A 38 -4.450 3.270 3.693 1.00 0.00 O +ATOM 537 CB ASN A 38 -6.150 4.414 5.559 1.00 0.00 C +ATOM 538 CG ASN A 38 -7.675 4.534 5.603 1.00 0.00 C +ATOM 539 OD1 ASN A 38 -8.275 4.775 6.637 1.00 0.00 O +ATOM 540 ND2 ASN A 38 -8.265 4.354 4.425 1.00 0.00 N +ATOM 541 H ASN A 38 -3.888 3.379 6.627 1.00 0.00 H +ATOM 542 HA ASN A 38 -6.545 2.334 6.035 1.00 0.00 H +ATOM 543 HB2 ASN A 38 -5.712 5.015 6.356 1.00 0.00 H +ATOM 544 HB3 ASN A 38 -5.777 4.813 4.616 1.00 0.00 H +ATOM 545 HD21 ASN A 38 -7.714 4.159 3.614 1.00 0.00 H +ATOM 546 HD22 ASN A 38 -9.261 4.413 4.350 1.00 0.00 H +ATOM 547 N LYS A 39 -5.391 1.244 4.046 1.00 0.00 N +ATOM 548 CA LYS A 39 -4.895 0.675 2.805 1.00 0.00 C +ATOM 549 C LYS A 39 -5.103 1.678 1.669 1.00 0.00 C +ATOM 550 O LYS A 39 -4.147 2.077 1.005 1.00 0.00 O +ATOM 551 CB LYS A 39 -5.539 -0.689 2.546 1.00 0.00 C +ATOM 552 CG LYS A 39 -5.165 -1.218 1.160 1.00 0.00 C +ATOM 553 CD LYS A 39 -6.397 -1.751 0.426 1.00 0.00 C +ATOM 554 CE LYS A 39 -6.067 -3.034 -0.340 1.00 0.00 C +ATOM 555 NZ LYS A 39 -6.730 -3.033 -1.663 1.00 0.00 N +ATOM 556 H LYS A 39 -5.937 0.623 4.607 1.00 0.00 H +ATOM 557 HA LYS A 39 -3.825 0.508 2.926 1.00 0.00 H +ATOM 558 HB2 LYS A 39 -5.217 -1.398 3.309 1.00 0.00 H +ATOM 559 HB3 LYS A 39 -6.622 -0.605 2.627 1.00 0.00 H +ATOM 560 HG2 LYS A 39 -4.705 -0.422 0.575 1.00 0.00 H +ATOM 561 HG3 LYS A 39 -4.424 -2.011 1.257 1.00 0.00 H +ATOM 562 HD2 LYS A 39 -7.195 -1.947 1.142 1.00 0.00 H +ATOM 563 HD3 LYS A 39 -6.768 -0.995 -0.266 1.00 0.00 H +ATOM 564 HE2 LYS A 39 -4.988 -3.120 -0.468 1.00 0.00 H +ATOM 565 HE3 LYS A 39 -6.390 -3.901 0.235 1.00 0.00 H +ATOM 566 HZ1 LYS A 39 -6.057 -2.831 -2.374 1.00 0.00 H +ATOM 567 HZ2 LYS A 39 -7.136 -3.931 -1.833 1.00 0.00 H +ATOM 568 HZ3 LYS A 39 -7.447 -2.335 -1.676 1.00 0.00 H +ATOM 569 N ASP A 40 -6.358 2.057 1.479 1.00 0.00 N +ATOM 570 CA ASP A 40 -6.704 3.006 0.435 1.00 0.00 C +ATOM 571 C ASP A 40 -5.688 4.150 0.435 1.00 0.00 C +ATOM 572 O ASP A 40 -4.992 4.367 -0.556 1.00 0.00 O +ATOM 573 CB ASP A 40 -8.091 3.606 0.673 1.00 0.00 C +ATOM 574 CG ASP A 40 -9.234 2.902 -0.061 1.00 0.00 C +ATOM 575 OD1 ASP A 40 -8.953 2.335 -1.139 1.00 0.00 O +ATOM 576 OD2 ASP A 40 -10.364 2.947 0.473 1.00 0.00 O +ATOM 577 H ASP A 40 -7.130 1.728 2.023 1.00 0.00 H +ATOM 578 HA ASP A 40 -6.686 2.432 -0.491 1.00 0.00 H +ATOM 579 HB2 ASP A 40 -8.300 3.588 1.743 1.00 0.00 H +ATOM 580 HB3 ASP A 40 -8.075 4.653 0.370 1.00 0.00 H +ATOM 581 N ALA A 41 -5.635 4.852 1.557 1.00 0.00 N +ATOM 582 CA ALA A 41 -4.716 5.969 1.699 1.00 0.00 C +ATOM 583 C ALA A 41 -3.306 5.515 1.315 1.00 0.00 C +ATOM 584 O ALA A 41 -2.607 6.206 0.577 1.00 0.00 O +ATOM 585 CB ALA A 41 -4.785 6.509 3.129 1.00 0.00 C +ATOM 586 H ALA A 41 -6.205 4.670 2.358 1.00 0.00 H +ATOM 587 HA ALA A 41 -5.036 6.752 1.012 1.00 0.00 H +ATOM 588 HB1 ALA A 41 -4.262 5.828 3.800 1.00 0.00 H +ATOM 589 HB2 ALA A 41 -4.316 7.492 3.169 1.00 0.00 H +ATOM 590 HB3 ALA A 41 -5.828 6.592 3.436 1.00 0.00 H +ATOM 591 N ALA A 42 -2.930 4.355 1.835 1.00 0.00 N +ATOM 592 CA ALA A 42 -1.617 3.801 1.555 1.00 0.00 C +ATOM 593 C ALA A 42 -1.452 3.627 0.044 1.00 0.00 C +ATOM 594 O ALA A 42 -0.588 4.255 -0.566 1.00 0.00 O +ATOM 595 CB ALA A 42 -1.446 2.484 2.316 1.00 0.00 C +ATOM 596 H ALA A 42 -3.505 3.799 2.435 1.00 0.00 H +ATOM 597 HA ALA A 42 -0.873 4.512 1.914 1.00 0.00 H +ATOM 598 HB1 ALA A 42 -1.270 1.675 1.607 1.00 0.00 H +ATOM 599 HB2 ALA A 42 -0.596 2.564 2.994 1.00 0.00 H +ATOM 600 HB3 ALA A 42 -2.349 2.276 2.889 1.00 0.00 H +ATOM 601 N ILE A 43 -2.294 2.771 -0.516 1.00 0.00 N +ATOM 602 CA ILE A 43 -2.252 2.507 -1.944 1.00 0.00 C +ATOM 603 C ILE A 43 -2.010 3.818 -2.694 1.00 0.00 C +ATOM 604 O ILE A 43 -1.092 3.912 -3.507 1.00 0.00 O +ATOM 605 CB ILE A 43 -3.516 1.768 -2.389 1.00 0.00 C +ATOM 606 CG1 ILE A 43 -3.486 0.307 -1.934 1.00 0.00 C +ATOM 607 CG2 ILE A 43 -3.721 1.894 -3.900 1.00 0.00 C +ATOM 608 CD1 ILE A 43 -4.854 -0.352 -2.119 1.00 0.00 C +ATOM 609 H ILE A 43 -2.994 2.264 -0.013 1.00 0.00 H +ATOM 610 HA ILE A 43 -1.408 1.842 -2.129 1.00 0.00 H +ATOM 611 HB ILE A 43 -4.374 2.238 -1.908 1.00 0.00 H +ATOM 612 HG12 ILE A 43 -2.735 -0.240 -2.505 1.00 0.00 H +ATOM 613 HG13 ILE A 43 -3.191 0.255 -0.886 1.00 0.00 H +ATOM 614 HG21 ILE A 43 -4.550 2.572 -4.099 1.00 0.00 H +ATOM 615 HG22 ILE A 43 -2.813 2.285 -4.359 1.00 0.00 H +ATOM 616 HG23 ILE A 43 -3.946 0.913 -4.319 1.00 0.00 H +ATOM 617 HD11 ILE A 43 -4.982 -0.639 -3.162 1.00 0.00 H +ATOM 618 HD12 ILE A 43 -4.918 -1.239 -1.488 1.00 0.00 H +ATOM 619 HD13 ILE A 43 -5.638 0.351 -1.836 1.00 0.00 H +ATOM 620 N ASN A 44 -2.850 4.798 -2.395 1.00 0.00 N +ATOM 621 CA ASN A 44 -2.738 6.100 -3.031 1.00 0.00 C +ATOM 622 C ASN A 44 -1.357 6.689 -2.739 1.00 0.00 C +ATOM 623 O ASN A 44 -0.696 7.207 -3.638 1.00 0.00 O +ATOM 624 CB ASN A 44 -3.790 7.069 -2.488 1.00 0.00 C +ATOM 625 CG ASN A 44 -3.612 8.464 -3.091 1.00 0.00 C +ATOM 626 OD1 ASN A 44 -2.614 8.774 -3.721 1.00 0.00 O +ATOM 627 ND2 ASN A 44 -4.633 9.286 -2.864 1.00 0.00 N +ATOM 628 H ASN A 44 -3.594 4.713 -1.732 1.00 0.00 H +ATOM 629 HA ASN A 44 -2.897 5.914 -4.093 1.00 0.00 H +ATOM 630 HB2 ASN A 44 -4.788 6.695 -2.717 1.00 0.00 H +ATOM 631 HB3 ASN A 44 -3.712 7.126 -1.402 1.00 0.00 H +ATOM 632 HD21 ASN A 44 -5.423 8.969 -2.339 1.00 0.00 H +ATOM 633 HD22 ASN A 44 -4.611 10.221 -3.217 1.00 0.00 H +ATOM 634 N SER A 45 -0.961 6.589 -1.478 1.00 0.00 N +ATOM 635 CA SER A 45 0.330 7.106 -1.056 1.00 0.00 C +ATOM 636 C SER A 45 1.450 6.419 -1.840 1.00 0.00 C +ATOM 637 O SER A 45 2.312 7.085 -2.411 1.00 0.00 O +ATOM 638 CB SER A 45 0.537 6.910 0.447 1.00 0.00 C +ATOM 639 OG SER A 45 1.486 7.830 0.979 1.00 0.00 O +ATOM 640 H SER A 45 -1.504 6.166 -0.753 1.00 0.00 H +ATOM 641 HA SER A 45 0.302 8.172 -1.283 1.00 0.00 H +ATOM 642 HB2 SER A 45 -0.415 7.033 0.963 1.00 0.00 H +ATOM 643 HB3 SER A 45 0.874 5.891 0.637 1.00 0.00 H +ATOM 644 HG SER A 45 1.631 8.582 0.337 1.00 0.00 H +ATOM 645 N LEU A 46 1.401 5.095 -1.843 1.00 0.00 N +ATOM 646 CA LEU A 46 2.401 4.310 -2.547 1.00 0.00 C +ATOM 647 C LEU A 46 2.403 4.704 -4.026 1.00 0.00 C +ATOM 648 O LEU A 46 3.456 4.992 -4.593 1.00 0.00 O +ATOM 649 CB LEU A 46 2.174 2.816 -2.310 1.00 0.00 C +ATOM 650 CG LEU A 46 2.435 2.316 -0.887 1.00 0.00 C +ATOM 651 CD1 LEU A 46 1.411 1.254 -0.483 1.00 0.00 C +ATOM 652 CD2 LEU A 46 3.872 1.813 -0.738 1.00 0.00 C +ATOM 653 H LEU A 46 0.696 4.560 -1.376 1.00 0.00 H +ATOM 654 HA LEU A 46 3.372 4.561 -2.121 1.00 0.00 H +ATOM 655 HB2 LEU A 46 1.144 2.578 -2.574 1.00 0.00 H +ATOM 656 HB3 LEU A 46 2.815 2.259 -2.993 1.00 0.00 H +ATOM 657 HG LEU A 46 2.315 3.156 -0.203 1.00 0.00 H +ATOM 658 HD11 LEU A 46 1.859 0.264 -0.573 1.00 0.00 H +ATOM 659 HD12 LEU A 46 1.102 1.421 0.549 1.00 0.00 H +ATOM 660 HD13 LEU A 46 0.542 1.320 -1.138 1.00 0.00 H +ATOM 661 HD21 LEU A 46 4.122 1.735 0.320 1.00 0.00 H +ATOM 662 HD22 LEU A 46 3.965 0.833 -1.206 1.00 0.00 H +ATOM 663 HD23 LEU A 46 4.554 2.512 -1.221 1.00 0.00 H +ATOM 664 N LEU A 47 1.212 4.705 -4.607 1.00 0.00 N +ATOM 665 CA LEU A 47 1.064 5.059 -6.008 1.00 0.00 C +ATOM 666 C LEU A 47 1.916 6.293 -6.311 1.00 0.00 C +ATOM 667 O LEU A 47 2.814 6.242 -7.150 1.00 0.00 O +ATOM 668 CB LEU A 47 -0.414 5.230 -6.364 1.00 0.00 C +ATOM 669 CG LEU A 47 -0.990 4.208 -7.347 1.00 0.00 C +ATOM 670 CD1 LEU A 47 -2.403 4.601 -7.781 1.00 0.00 C +ATOM 671 CD2 LEU A 47 -0.056 4.012 -8.544 1.00 0.00 C +ATOM 672 H LEU A 47 0.361 4.470 -4.138 1.00 0.00 H +ATOM 673 HA LEU A 47 1.443 4.224 -6.598 1.00 0.00 H +ATOM 674 HB2 LEU A 47 -0.996 5.187 -5.444 1.00 0.00 H +ATOM 675 HB3 LEU A 47 -0.554 6.226 -6.783 1.00 0.00 H +ATOM 676 HG LEU A 47 -1.065 3.248 -6.837 1.00 0.00 H +ATOM 677 HD11 LEU A 47 -2.378 5.582 -8.257 1.00 0.00 H +ATOM 678 HD12 LEU A 47 -2.785 3.864 -8.488 1.00 0.00 H +ATOM 679 HD13 LEU A 47 -3.055 4.638 -6.908 1.00 0.00 H +ATOM 680 HD21 LEU A 47 0.714 4.783 -8.533 1.00 0.00 H +ATOM 681 HD22 LEU A 47 0.411 3.030 -8.482 1.00 0.00 H +ATOM 682 HD23 LEU A 47 -0.630 4.085 -9.468 1.00 0.00 H +ATOM 683 N GLN A 48 1.604 7.374 -5.611 1.00 0.00 N +ATOM 684 CA GLN A 48 2.330 8.620 -5.795 1.00 0.00 C +ATOM 685 C GLN A 48 3.812 8.424 -5.466 1.00 0.00 C +ATOM 686 O GLN A 48 4.675 8.676 -6.305 1.00 0.00 O +ATOM 687 CB GLN A 48 1.723 9.738 -4.945 1.00 0.00 C +ATOM 688 CG GLN A 48 1.094 10.817 -5.828 1.00 0.00 C +ATOM 689 CD GLN A 48 1.228 12.199 -5.185 1.00 0.00 C +ATOM 690 OE1 GLN A 48 0.935 12.400 -4.018 1.00 0.00 O +ATOM 691 NE2 GLN A 48 1.687 13.137 -6.009 1.00 0.00 N +ATOM 692 H GLN A 48 0.872 7.408 -4.931 1.00 0.00 H +ATOM 693 HA GLN A 48 2.215 8.870 -6.849 1.00 0.00 H +ATOM 694 HB2 GLN A 48 0.968 9.324 -4.277 1.00 0.00 H +ATOM 695 HB3 GLN A 48 2.495 10.182 -4.317 1.00 0.00 H +ATOM 696 HG2 GLN A 48 1.576 10.819 -6.806 1.00 0.00 H +ATOM 697 HG3 GLN A 48 0.041 10.590 -5.992 1.00 0.00 H +ATOM 698 HE21 GLN A 48 1.909 12.906 -6.956 1.00 0.00 H +ATOM 699 HE22 GLN A 48 1.809 14.074 -5.681 1.00 0.00 H +ATOM 700 N MET A 49 4.060 7.976 -4.244 1.00 0.00 N +ATOM 701 CA MET A 49 5.422 7.744 -3.795 1.00 0.00 C +ATOM 702 C MET A 49 6.230 6.998 -4.858 1.00 0.00 C +ATOM 703 O MET A 49 5.745 6.035 -5.450 1.00 0.00 O +ATOM 704 CB MET A 49 5.401 6.926 -2.502 1.00 0.00 C +ATOM 705 CG MET A 49 4.895 7.767 -1.329 1.00 0.00 C +ATOM 706 SD MET A 49 6.256 8.205 -0.260 1.00 0.00 S +ATOM 707 CE MET A 49 6.750 6.581 0.293 1.00 0.00 C +ATOM 708 H MET A 49 3.351 7.774 -3.568 1.00 0.00 H +ATOM 709 HA MET A 49 5.849 8.733 -3.631 1.00 0.00 H +ATOM 710 HB2 MET A 49 4.761 6.053 -2.631 1.00 0.00 H +ATOM 711 HB3 MET A 49 6.403 6.557 -2.284 1.00 0.00 H +ATOM 712 HG2 MET A 49 4.409 8.670 -1.700 1.00 0.00 H +ATOM 713 HG3 MET A 49 4.145 7.210 -0.767 1.00 0.00 H +ATOM 714 HE1 MET A 49 6.921 6.600 1.369 1.00 0.00 H +ATOM 715 HE2 MET A 49 5.962 5.863 0.062 1.00 0.00 H +ATOM 716 HE3 MET A 49 7.668 6.288 -0.215 1.00 0.00 H +ATOM 717 N GLY A 50 7.450 7.471 -5.068 1.00 0.00 N +ATOM 718 CA GLY A 50 8.331 6.861 -6.050 1.00 0.00 C +ATOM 719 C GLY A 50 8.052 7.408 -7.452 1.00 0.00 C +ATOM 720 O GLY A 50 7.503 8.499 -7.598 1.00 0.00 O +ATOM 721 H GLY A 50 7.837 8.255 -4.583 1.00 0.00 H +ATOM 722 HA2 GLY A 50 9.369 7.053 -5.781 1.00 0.00 H +ATOM 723 HA3 GLY A 50 8.194 5.780 -6.044 1.00 0.00 H +ATOM 724 N GLU A 51 8.442 6.624 -8.446 1.00 0.00 N +ATOM 725 CA GLU A 51 8.241 7.016 -9.831 1.00 0.00 C +ATOM 726 C GLU A 51 7.776 5.817 -10.660 1.00 0.00 C +ATOM 727 O GLU A 51 8.449 4.788 -10.700 1.00 0.00 O +ATOM 728 CB GLU A 51 9.514 7.628 -10.418 1.00 0.00 C +ATOM 729 CG GLU A 51 10.619 6.578 -10.544 1.00 0.00 C +ATOM 730 CD GLU A 51 11.989 7.183 -10.227 1.00 0.00 C +ATOM 731 OE1 GLU A 51 12.616 7.697 -11.178 1.00 0.00 O +ATOM 732 OE2 GLU A 51 12.377 7.117 -9.041 1.00 0.00 O +ATOM 733 H GLU A 51 8.887 5.738 -8.318 1.00 0.00 H +ATOM 734 HA GLU A 51 7.458 7.774 -9.806 1.00 0.00 H +ATOM 735 HB2 GLU A 51 9.299 8.055 -11.398 1.00 0.00 H +ATOM 736 HB3 GLU A 51 9.855 8.446 -9.783 1.00 0.00 H +ATOM 737 HG2 GLU A 51 10.418 5.749 -9.866 1.00 0.00 H +ATOM 738 HG3 GLU A 51 10.624 6.170 -11.555 1.00 0.00 H +ATOM 739 N GLU A 52 6.630 5.990 -11.301 1.00 0.00 N +ATOM 740 CA GLU A 52 6.068 4.934 -12.127 1.00 0.00 C +ATOM 741 C GLU A 52 6.430 5.161 -13.596 1.00 0.00 C +ATOM 742 O GLU A 52 6.609 6.299 -14.027 1.00 0.00 O +ATOM 743 CB GLU A 52 4.552 4.844 -11.943 1.00 0.00 C +ATOM 744 CG GLU A 52 4.185 3.747 -10.942 1.00 0.00 C +ATOM 745 CD GLU A 52 2.826 3.130 -11.277 1.00 0.00 C +ATOM 746 OE1 GLU A 52 1.973 3.884 -11.793 1.00 0.00 O +ATOM 747 OE2 GLU A 52 2.670 1.919 -11.008 1.00 0.00 O +ATOM 748 H GLU A 52 6.089 6.830 -11.263 1.00 0.00 H +ATOM 749 HA GLU A 52 6.527 4.012 -11.770 1.00 0.00 H +ATOM 750 HB2 GLU A 52 4.166 5.802 -11.596 1.00 0.00 H +ATOM 751 HB3 GLU A 52 4.077 4.638 -12.903 1.00 0.00 H +ATOM 752 HG2 GLU A 52 4.952 2.972 -10.949 1.00 0.00 H +ATOM 753 HG3 GLU A 52 4.162 4.162 -9.934 1.00 0.00 H +ATOM 754 N PRO A 53 6.529 4.029 -14.344 1.00 0.00 N +ATOM 755 CA PRO A 53 6.866 4.093 -15.756 1.00 0.00 C +ATOM 756 C PRO A 53 5.674 4.577 -16.584 1.00 0.00 C +ATOM 757 O PRO A 53 4.760 3.806 -16.873 1.00 0.00 O +ATOM 758 CB PRO A 53 7.308 2.684 -16.119 1.00 0.00 C +ATOM 759 CG PRO A 53 6.763 1.782 -15.024 1.00 0.00 C +ATOM 760 CD PRO A 53 6.323 2.665 -13.868 1.00 0.00 C +ATOM 761 HA PRO A 53 7.594 4.761 -15.909 1.00 0.00 H +ATOM 762 HB2 PRO A 53 6.920 2.393 -17.095 1.00 0.00 H +ATOM 763 HB3 PRO A 53 8.395 2.618 -16.175 1.00 0.00 H +ATOM 764 HG2 PRO A 53 5.924 1.194 -15.396 1.00 0.00 H +ATOM 765 HG3 PRO A 53 7.526 1.076 -14.696 1.00 0.00 H +ATOM 766 HD2 PRO A 53 5.279 2.488 -13.610 1.00 0.00 H +ATOM 767 HD3 PRO A 53 6.911 2.465 -12.972 1.00 0.00 H +ATOM 768 N SER A 54 5.721 5.852 -16.941 1.00 0.00 N +ATOM 769 CA SER A 54 4.656 6.448 -17.730 1.00 0.00 C +ATOM 770 C SER A 54 4.450 5.650 -19.019 1.00 0.00 C +ATOM 771 O SER A 54 5.318 4.876 -19.420 1.00 0.00 O +ATOM 772 CB SER A 54 4.964 7.911 -18.054 1.00 0.00 C +ATOM 773 OG SER A 54 5.225 8.675 -16.880 1.00 0.00 O +ATOM 774 H SER A 54 6.468 6.472 -16.702 1.00 0.00 H +ATOM 775 HA SER A 54 3.767 6.395 -17.101 1.00 0.00 H +ATOM 776 HB2 SER A 54 5.827 7.961 -18.718 1.00 0.00 H +ATOM 777 HB3 SER A 54 4.122 8.348 -18.591 1.00 0.00 H +ATOM 778 HG SER A 54 6.184 8.579 -16.616 1.00 0.00 H +ATOM 779 N GLY A 55 3.296 5.867 -19.633 1.00 0.00 N +ATOM 780 CA GLY A 55 2.965 5.178 -20.868 1.00 0.00 C +ATOM 781 C GLY A 55 1.451 5.018 -21.018 1.00 0.00 C +ATOM 782 O GLY A 55 0.681 5.773 -20.427 1.00 0.00 O +ATOM 783 H GLY A 55 2.595 6.498 -19.300 1.00 0.00 H +ATOM 784 HA2 GLY A 55 3.361 5.735 -21.717 1.00 0.00 H +ATOM 785 HA3 GLY A 55 3.441 4.197 -20.881 1.00 0.00 H +ATOM 786 N PRO A 56 1.058 4.003 -21.834 1.00 0.00 N +ATOM 787 CA PRO A 56 -0.350 3.734 -22.069 1.00 0.00 C +ATOM 788 C PRO A 56 -0.989 3.053 -20.857 1.00 0.00 C +ATOM 789 O PRO A 56 -0.378 2.184 -20.236 1.00 0.00 O +ATOM 790 CB PRO A 56 -0.383 2.872 -23.321 1.00 0.00 C +ATOM 791 CG PRO A 56 1.020 2.305 -23.473 1.00 0.00 C +ATOM 792 CD PRO A 56 1.941 3.088 -22.552 1.00 0.00 C +ATOM 793 HA PRO A 56 -0.851 4.591 -22.196 1.00 0.00 H +ATOM 794 HB2 PRO A 56 -1.119 2.074 -23.226 1.00 0.00 H +ATOM 795 HB3 PRO A 56 -0.663 3.461 -24.194 1.00 0.00 H +ATOM 796 HG2 PRO A 56 1.033 1.246 -23.216 1.00 0.00 H +ATOM 797 HG3 PRO A 56 1.354 2.387 -24.507 1.00 0.00 H +ATOM 798 HD2 PRO A 56 2.469 2.427 -21.864 1.00 0.00 H +ATOM 799 HD3 PRO A 56 2.699 3.631 -23.117 1.00 0.00 H +ATOM 800 N SER A 57 -2.209 3.473 -20.557 1.00 0.00 N +ATOM 801 CA SER A 57 -2.936 2.914 -19.430 1.00 0.00 C +ATOM 802 C SER A 57 -4.391 2.650 -19.825 1.00 0.00 C +ATOM 803 O SER A 57 -5.081 3.549 -20.303 1.00 0.00 O +ATOM 804 CB SER A 57 -2.876 3.846 -18.219 1.00 0.00 C +ATOM 805 OG SER A 57 -3.333 5.159 -18.532 1.00 0.00 O +ATOM 806 H SER A 57 -2.698 4.179 -21.067 1.00 0.00 H +ATOM 807 HA SER A 57 -2.428 1.979 -19.194 1.00 0.00 H +ATOM 808 HB2 SER A 57 -3.484 3.434 -17.413 1.00 0.00 H +ATOM 809 HB3 SER A 57 -1.852 3.897 -17.851 1.00 0.00 H +ATOM 810 HG SER A 57 -4.304 5.246 -18.309 1.00 0.00 H +ATOM 811 N SER A 58 -4.813 1.412 -19.611 1.00 0.00 N +ATOM 812 CA SER A 58 -6.173 1.019 -19.939 1.00 0.00 C +ATOM 813 C SER A 58 -6.780 0.220 -18.784 1.00 0.00 C +ATOM 814 O SER A 58 -7.806 0.608 -18.227 1.00 0.00 O +ATOM 815 CB SER A 58 -6.213 0.199 -21.230 1.00 0.00 C +ATOM 816 OG SER A 58 -7.544 0.021 -21.708 1.00 0.00 O +ATOM 817 H SER A 58 -4.246 0.687 -19.222 1.00 0.00 H +ATOM 818 HA SER A 58 -6.716 1.952 -20.085 1.00 0.00 H +ATOM 819 HB2 SER A 58 -5.616 0.697 -21.994 1.00 0.00 H +ATOM 820 HB3 SER A 58 -5.758 -0.776 -21.055 1.00 0.00 H +ATOM 821 HG SER A 58 -7.576 0.180 -22.695 1.00 0.00 H +ATOM 822 N GLY A 59 -6.120 -0.881 -18.457 1.00 0.00 N +ATOM 823 CA GLY A 59 -6.581 -1.738 -17.378 1.00 0.00 C +ATOM 824 C GLY A 59 -7.648 -2.717 -17.873 1.00 0.00 C +ATOM 825 O GLY A 59 -8.686 -2.302 -18.385 1.00 0.00 O +ATOM 826 H GLY A 59 -5.286 -1.190 -18.915 1.00 0.00 H +ATOM 827 HA2 GLY A 59 -5.739 -2.292 -16.963 1.00 0.00 H +ATOM 828 HA3 GLY A 59 -6.988 -1.127 -16.572 1.00 0.00 H Added: SwiftApps/modFTdock/input/indata/1wm2-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1wm2-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1wm2-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,633 @@ +ATOM 1 N THR A 12 18.553 -11.857 20.939 1.00 47.27 N +ATOM 2 CA THR A 12 18.143 -12.863 21.973 1.00 46.30 C +ATOM 3 C THR A 12 17.457 -12.196 23.178 1.00 45.53 C +ATOM 4 O THR A 12 17.266 -10.973 23.217 1.00 44.85 O +ATOM 5 CB THR A 12 19.370 -13.669 22.515 1.00 46.84 C +ATOM 6 OG1 THR A 12 20.155 -12.828 23.369 1.00 46.39 O +ATOM 7 CG2 THR A 12 20.245 -14.167 21.372 1.00 46.71 C +ATOM 8 N GLU A 13 17.103 -13.011 24.167 1.00 44.28 N +ATOM 9 CA GLU A 13 16.459 -12.503 25.376 1.00 42.81 C +ATOM 10 C GLU A 13 17.464 -11.814 26.312 1.00 40.00 C +ATOM 11 O GLU A 13 17.088 -11.213 27.346 1.00 39.30 O +ATOM 12 CB GLU A 13 15.788 -13.651 26.109 1.00 45.14 C +ATOM 13 CG GLU A 13 14.432 -13.295 26.638 1.00 48.55 C +ATOM 14 CD GLU A 13 13.641 -14.529 26.970 1.00 50.48 C +ATOM 15 OE1 GLU A 13 12.406 -14.409 27.201 1.00 51.17 O +ATOM 16 OE2 GLU A 13 14.272 -15.618 26.998 1.00 52.27 O +ATOM 17 N ASN A 14 18.741 -11.911 25.946 1.00 36.54 N +ATOM 18 CA ASN A 14 19.804 -11.318 26.745 1.00 33.19 C +ATOM 19 C ASN A 14 20.253 -9.954 26.226 1.00 33.32 C +ATOM 20 O ASN A 14 21.295 -9.423 26.671 1.00 33.77 O +ATOM 21 CB ASN A 14 21.008 -12.266 26.822 1.00 30.37 C +ATOM 22 CG ASN A 14 20.680 -13.539 27.569 1.00 27.28 C +ATOM 23 OD1 ASN A 14 20.815 -14.628 27.034 1.00 23.73 O +ATOM 24 ND2 ASN A 14 20.204 -13.393 28.810 1.00 24.83 N +ATOM 25 N ASN A 15 19.509 -9.406 25.266 1.00 31.40 N +ATOM 26 CA ASN A 15 19.834 -8.070 24.751 1.00 31.87 C +ATOM 27 C ASN A 15 18.887 -7.101 25.458 1.00 31.10 C +ATOM 28 O ASN A 15 17.980 -7.545 26.164 1.00 33.04 O +ATOM 29 CB ASN A 15 19.591 -7.971 23.236 1.00 33.53 C +ATOM 30 CG ASN A 15 20.515 -8.870 22.429 1.00 34.58 C +ATOM 31 OD1 ASN A 15 20.082 -9.882 21.869 1.00 37.17 O +ATOM 32 ND2 ASN A 15 21.793 -8.501 22.363 1.00 35.98 N +ATOM 33 N ASP A 16 19.129 -5.789 25.316 1.00 28.69 N +ATOM 34 CA ASP A 16 18.223 -4.764 25.899 1.00 27.03 C +ATOM 35 C ASP A 16 17.364 -4.414 24.696 1.00 26.51 C +ATOM 36 O ASP A 16 17.916 -3.925 23.707 1.00 24.33 O +ATOM 37 CB ASP A 16 18.955 -3.453 26.280 1.00 28.20 C +ATOM 38 CG ASP A 16 19.205 -3.318 27.774 1.00 29.35 C +ATOM 39 OD1 ASP A 16 19.488 -4.340 28.397 1.00 27.17 O +ATOM 40 OD2 ASP A 16 19.133 -2.172 28.319 1.00 31.72 O +ATOM 41 N HIS A 17 16.059 -4.666 24.756 1.00 25.01 N +ATOM 42 CA HIS A 17 15.208 -4.300 23.611 1.00 24.85 C +ATOM 43 C HIS A 17 14.526 -3.046 24.086 1.00 23.23 C +ATOM 44 O HIS A 17 14.204 -2.889 25.276 1.00 23.77 O +ATOM 45 CB HIS A 17 14.175 -5.369 23.266 1.00 26.21 C +ATOM 46 CG HIS A 17 14.749 -6.566 22.578 1.00 31.71 C +ATOM 47 ND1 HIS A 17 15.507 -7.515 23.236 1.00 33.32 N +ATOM 48 CD2 HIS A 17 14.704 -6.952 21.280 1.00 32.39 C +ATOM 49 CE1 HIS A 17 15.907 -8.432 22.370 1.00 34.08 C +ATOM 50 NE2 HIS A 17 15.433 -8.113 21.176 1.00 34.87 N +ATOM 51 N ILE A 18 14.365 -2.122 23.173 1.00 19.23 N +ATOM 52 CA ILE A 18 13.777 -0.871 23.532 1.00 18.10 C +ATOM 53 C ILE A 18 12.485 -0.763 22.739 1.00 17.30 C +ATOM 54 O ILE A 18 12.459 -1.126 21.590 1.00 16.01 O +ATOM 55 CB ILE A 18 14.776 0.314 23.212 1.00 17.83 C +ATOM 56 CG1 ILE A 18 14.160 1.679 23.617 1.00 19.98 C +ATOM 57 CG2 ILE A 18 15.152 0.314 21.781 1.00 21.11 C +ATOM 58 CD1 ILE A 18 15.122 2.803 23.540 1.00 23.08 C +ATOM 59 N ASN A 19 11.404 -0.360 23.409 1.00 15.76 N +ATOM 60 CA ASN A 19 10.135 -0.131 22.730 1.00 14.65 C +ATOM 61 C ASN A 19 10.165 1.292 22.286 1.00 13.81 C +ATOM 62 O ASN A 19 10.525 2.182 23.080 1.00 15.69 O +ATOM 63 CB ASN A 19 8.976 -0.292 23.712 1.00 18.30 C +ATOM 64 CG ASN A 19 8.829 -1.695 24.160 1.00 23.10 C +ATOM 65 OD1 ASN A 19 8.342 -2.541 23.409 1.00 25.67 O +ATOM 66 ND2 ASN A 19 9.287 -1.988 25.378 1.00 25.66 N +ATOM 67 N LEU A 20 9.810 1.561 21.031 1.00 11.19 N +ATOM 68 CA LEU A 20 9.810 2.926 20.550 1.00 11.84 C +ATOM 69 C LEU A 20 8.483 3.252 19.894 1.00 12.48 C +ATOM 70 O LEU A 20 7.840 2.351 19.312 1.00 14.27 O +ATOM 71 CB LEU A 20 10.933 3.210 19.527 1.00 11.14 C +ATOM 72 CG LEU A 20 12.350 2.988 20.083 1.00 13.52 C +ATOM 73 CD1 LEU A 20 13.404 2.988 18.972 1.00 15.83 C +ATOM 74 CD2 LEU A 20 12.663 4.131 21.101 1.00 14.59 C +ATOM 75 N LYS A 21 8.047 4.508 20.004 1.00 11.52 N +ATOM 76 CA LYS A 21 6.820 4.925 19.310 1.00 13.58 C +ATOM 77 C LYS A 21 7.206 5.852 18.196 1.00 14.02 C +ATOM 78 O LYS A 21 8.011 6.745 18.419 1.00 15.14 O +ATOM 79 CB LYS A 21 5.870 5.688 20.252 1.00 15.98 C +ATOM 80 CG LYS A 21 5.379 4.866 21.394 1.00 21.41 C +ATOM 81 CD LYS A 21 4.542 5.672 22.342 1.00 26.81 C +ATOM 82 CE LYS A 21 4.424 4.919 23.627 1.00 29.62 C +ATOM 83 NZ LYS A 21 2.994 4.804 24.013 1.00 32.88 N +ATOM 84 N VAL A 22 6.643 5.696 16.994 1.00 11.30 N +ATOM 85 CA VAL A 22 6.959 6.629 15.908 1.00 11.62 C +ATOM 86 C VAL A 22 5.658 7.423 15.700 1.00 11.49 C +ATOM 87 O VAL A 22 4.638 6.857 15.355 1.00 9.97 O +ATOM 88 CB VAL A 22 7.337 5.837 14.645 1.00 11.95 C +ATOM 89 CG1 VAL A 22 7.684 6.842 13.500 1.00 12.39 C +ATOM 90 CG2 VAL A 22 8.517 4.872 14.990 1.00 14.07 C +ATOM 91 N ALA A 23 5.690 8.733 15.939 1.00 9.60 N +ATOM 92 CA ALA A 23 4.487 9.560 15.889 1.00 11.78 C +ATOM 93 C ALA A 23 4.526 10.465 14.721 1.00 12.04 C +ATOM 94 O ALA A 23 5.394 11.349 14.639 1.00 13.70 O +ATOM 95 CB ALA A 23 4.412 10.365 17.180 1.00 13.06 C +ATOM 96 N GLY A 24 3.581 10.286 13.820 1.00 12.08 N +ATOM 97 CA GLY A 24 3.539 11.130 12.637 1.00 13.66 C +ATOM 98 C GLY A 24 2.868 12.475 12.886 1.00 15.99 C +ATOM 99 O GLY A 24 2.141 12.644 13.854 1.00 15.98 O +ATOM 100 N GLN A 25 3.055 13.434 11.977 1.00 16.27 N +ATOM 101 CA GLN A 25 2.392 14.713 12.169 1.00 19.13 C +ATOM 102 C GLN A 25 0.908 14.528 11.878 1.00 19.04 C +ATOM 103 O GLN A 25 0.098 15.443 12.146 1.00 20.25 O +ATOM 104 CB GLN A 25 3.017 15.808 11.280 1.00 23.01 C +ATOM 105 CG GLN A 25 4.439 16.158 11.766 1.00 24.85 C +ATOM 106 CD GLN A 25 4.621 16.193 13.299 1.00 29.37 C +ATOM 107 OE1 GLN A 25 3.990 17.002 14.003 1.00 30.92 O +ATOM 108 NE2 GLN A 25 5.493 15.294 13.825 1.00 27.76 N +ATOM 109 N ASP A 26 0.554 13.362 11.343 1.00 15.49 N +ATOM 110 CA ASP A 26 -0.847 13.087 11.065 1.00 15.27 C +ATOM 111 C ASP A 26 -1.590 12.461 12.223 1.00 14.95 C +ATOM 112 O ASP A 26 -2.773 12.066 12.074 1.00 16.11 O +ATOM 113 CB ASP A 26 -1.033 12.260 9.812 1.00 17.33 C +ATOM 114 CG ASP A 26 -0.418 10.863 9.905 1.00 14.31 C +ATOM 115 OD1 ASP A 26 -0.441 10.167 8.867 1.00 17.79 O +ATOM 116 OD2 ASP A 26 0.095 10.470 10.983 1.00 13.88 O +ATOM 117 N GLY A 27 -0.917 12.345 13.364 1.00 12.82 N +ATOM 118 CA GLY A 27 -1.596 11.797 14.531 1.00 12.27 C +ATOM 119 C GLY A 27 -1.337 10.315 14.758 1.00 11.30 C +ATOM 120 O GLY A 27 -1.548 9.778 15.838 1.00 11.29 O +ATOM 121 N SER A 28 -0.837 9.650 13.722 1.00 11.97 N +ATOM 122 CA SER A 28 -0.582 8.201 13.849 1.00 10.57 C +ATOM 123 C SER A 28 0.540 7.872 14.839 1.00 10.39 C +ATOM 124 O SER A 28 1.506 8.622 14.970 1.00 11.28 O +ATOM 125 CB SER A 28 -0.235 7.631 12.459 1.00 12.38 C +ATOM 126 OG SER A 28 1.021 8.151 11.997 1.00 15.93 O +ATOM 127 N VAL A 29 0.383 6.774 15.585 1.00 8.60 N +ATOM 128 CA VAL A 29 1.449 6.320 16.507 1.00 10.38 C +ATOM 129 C VAL A 29 1.676 4.835 16.196 1.00 11.08 C +ATOM 130 O VAL A 29 0.754 4.023 16.410 1.00 15.33 O +ATOM 131 CB VAL A 29 1.035 6.485 17.978 1.00 11.50 C +ATOM 132 CG1 VAL A 29 2.203 6.011 18.894 1.00 15.67 C +ATOM 133 CG2 VAL A 29 0.775 7.956 18.261 1.00 12.68 C +ATOM 134 N VAL A 30 2.860 4.499 15.677 1.00 10.49 N +ATOM 135 CA VAL A 30 3.229 3.147 15.276 1.00 12.18 C +ATOM 136 C VAL A 30 4.335 2.642 16.204 1.00 11.74 C +ATOM 137 O VAL A 30 5.257 3.392 16.514 1.00 16.32 O +ATOM 138 CB VAL A 30 3.734 3.179 13.811 1.00 14.66 C +ATOM 139 CG1 VAL A 30 4.223 1.794 13.372 1.00 18.81 C +ATOM 140 CG2 VAL A 30 2.593 3.728 12.901 1.00 17.71 C +ATOM 141 N GLN A 31 4.234 1.392 16.684 1.00 10.85 N +ATOM 142 CA GLN A 31 5.192 0.869 17.672 1.00 11.13 C +ATOM 143 C GLN A 31 6.235 -0.061 17.057 1.00 10.18 C +ATOM 144 O GLN A 31 5.942 -0.771 16.115 1.00 10.24 O +ATOM 145 CB GLN A 31 4.396 0.135 18.776 1.00 16.72 C +ATOM 146 CG GLN A 31 5.137 -0.842 19.694 1.00 25.61 C +ATOM 147 CD GLN A 31 6.127 -0.339 20.812 1.00 28.91 C +ATOM 148 OE1 GLN A 31 6.111 0.804 21.283 1.00 31.74 O +ATOM 149 NE2 GLN A 31 6.960 -1.285 21.269 1.00 26.64 N +ATOM 150 N PHE A 32 7.470 0.044 17.584 1.00 10.23 N +ATOM 151 CA PHE A 32 8.571 -0.794 17.195 1.00 10.14 C +ATOM 152 C PHE A 32 9.271 -1.342 18.428 1.00 9.78 C +ATOM 153 O PHE A 32 9.137 -0.763 19.514 1.00 11.20 O +ATOM 154 CB PHE A 32 9.613 -0.007 16.372 1.00 11.39 C +ATOM 155 CG PHE A 32 9.247 0.140 14.956 1.00 11.32 C +ATOM 156 CD1 PHE A 32 8.331 1.131 14.541 1.00 15.55 C +ATOM 157 CD2 PHE A 32 9.764 -0.756 14.007 1.00 12.87 C +ATOM 158 CE1 PHE A 32 7.947 1.196 13.160 1.00 14.88 C +ATOM 159 CE2 PHE A 32 9.382 -0.683 12.664 1.00 16.00 C +ATOM 160 CZ PHE A 32 8.477 0.283 12.256 1.00 15.02 C +ATOM 161 N LYS A 33 9.948 -2.487 18.270 1.00 9.96 N +ATOM 162 CA LYS A 33 10.743 -2.987 19.407 1.00 11.98 C +ATOM 163 C LYS A 33 12.004 -3.444 18.735 1.00 11.81 C +ATOM 164 O LYS A 33 11.957 -4.354 17.898 1.00 13.65 O +ATOM 165 CB LYS A 33 10.053 -4.153 20.120 1.00 16.26 C +ATOM 166 CG LYS A 33 10.736 -4.456 21.484 1.00 20.22 C +ATOM 167 CD LYS A 33 10.152 -5.717 22.109 1.00 25.31 C +ATOM 168 CE LYS A 33 8.682 -5.566 22.455 1.00 29.34 C +ATOM 169 NZ LYS A 33 8.075 -6.909 22.749 1.00 32.83 N +ATOM 170 N ILE A 34 13.146 -2.845 19.087 1.00 12.09 N +ATOM 171 CA ILE A 34 14.380 -3.302 18.458 1.00 12.49 C +ATOM 172 C ILE A 34 15.469 -3.352 19.542 1.00 13.38 C +ATOM 173 O ILE A 34 15.299 -2.784 20.598 1.00 12.62 O +ATOM 174 CB ILE A 34 14.871 -2.370 17.324 1.00 11.77 C +ATOM 175 CG1 ILE A 34 15.099 -0.972 17.840 1.00 12.29 C +ATOM 176 CG2 ILE A 34 13.871 -2.404 16.115 1.00 13.28 C +ATOM 177 CD1 ILE A 34 15.672 0.036 16.803 1.00 14.02 C +ATOM 178 N LYS A 35 16.591 -4.006 19.268 1.00 11.89 N +ATOM 179 CA LYS A 35 17.657 -4.072 20.283 1.00 11.62 C +ATOM 180 C LYS A 35 18.255 -2.638 20.378 1.00 10.77 C +ATOM 181 O LYS A 35 18.278 -1.867 19.386 1.00 11.36 O +ATOM 182 CB LYS A 35 18.772 -5.071 19.880 1.00 14.60 C +ATOM 183 CG LYS A 35 18.362 -6.536 19.841 1.00 18.05 C +ATOM 184 CD LYS A 35 19.503 -7.366 19.257 1.00 23.52 C +ATOM 185 CE LYS A 35 19.173 -8.849 19.103 1.00 25.86 C +ATOM 186 NZ LYS A 35 20.384 -9.603 18.512 1.00 26.34 N +ATOM 187 N ARG A 36 18.809 -2.305 21.543 1.00 12.24 N +ATOM 188 CA ARG A 36 19.340 -0.969 21.798 1.00 12.52 C +ATOM 189 C ARG A 36 20.502 -0.556 20.845 1.00 11.56 C +ATOM 190 O ARG A 36 20.697 0.624 20.549 1.00 11.78 O +ATOM 191 CB ARG A 36 19.829 -0.961 23.267 1.00 16.03 C +ATOM 192 CG ARG A 36 19.746 0.304 23.975 1.00 22.58 C +ATOM 193 CD ARG A 36 20.084 0.064 25.475 1.00 20.83 C +ATOM 194 NE ARG A 36 21.485 -0.262 25.687 1.00 21.63 N +ATOM 195 CZ ARG A 36 22.393 0.654 26.027 1.00 17.87 C +ATOM 196 NH1 ARG A 36 21.999 1.939 26.168 1.00 18.35 N +ATOM 197 NH2 ARG A 36 23.640 0.269 26.219 1.00 19.94 N +ATOM 198 N HIS A 37 21.237 -1.534 20.301 1.00 12.46 N +ATOM 199 CA HIS A 37 22.354 -1.236 19.405 1.00 10.62 C +ATOM 200 C HIS A 37 22.026 -1.455 17.940 1.00 11.44 C +ATOM 201 O HIS A 37 22.911 -1.529 17.121 1.00 12.16 O +ATOM 202 CB HIS A 37 23.590 -2.073 19.805 1.00 12.79 C +ATOM 203 CG HIS A 37 24.127 -1.722 21.139 1.00 13.27 C +ATOM 204 ND1 HIS A 37 24.834 -0.560 21.365 1.00 15.31 N +ATOM 205 CD2 HIS A 37 24.029 -2.355 22.336 1.00 15.63 C +ATOM 206 CE1 HIS A 37 25.152 -0.492 22.653 1.00 16.27 C +ATOM 207 NE2 HIS A 37 24.679 -1.571 23.260 1.00 15.59 N +ATOM 208 N THR A 38 20.744 -1.555 17.635 1.00 10.88 N +ATOM 209 CA THR A 38 20.347 -1.726 16.224 1.00 10.20 C +ATOM 210 C THR A 38 20.217 -0.392 15.517 1.00 10.37 C +ATOM 211 O THR A 38 19.605 0.535 16.032 1.00 9.98 O +ATOM 212 CB THR A 38 19.009 -2.441 16.203 1.00 9.16 C +ATOM 213 OG1 THR A 38 19.199 -3.736 16.780 1.00 10.35 O +ATOM 214 CG2 THR A 38 18.487 -2.618 14.702 1.00 10.58 C +ATOM 215 N PRO A 39 20.778 -0.273 14.309 1.00 10.00 N +ATOM 216 CA PRO A 39 20.681 0.979 13.540 1.00 10.72 C +ATOM 217 C PRO A 39 19.223 1.294 13.213 1.00 9.89 C +ATOM 218 O PRO A 39 18.457 0.430 12.816 1.00 9.83 O +ATOM 219 CB PRO A 39 21.500 0.692 12.289 1.00 12.36 C +ATOM 220 CG PRO A 39 21.370 -0.818 12.114 1.00 13.90 C +ATOM 221 CD PRO A 39 21.561 -1.281 13.559 1.00 12.49 C +ATOM 222 N LEU A 40 18.888 2.579 13.307 1.00 9.17 N +ATOM 223 CA LEU A 40 17.508 2.974 13.139 1.00 9.77 C +ATOM 224 C LEU A 40 17.074 2.849 11.696 1.00 9.91 C +ATOM 225 O LEU A 40 15.871 2.967 11.406 1.00 10.37 O +ATOM 226 CB LEU A 40 17.262 4.367 13.731 1.00 9.83 C +ATOM 227 CG LEU A 40 17.210 4.258 15.283 1.00 10.84 C +ATOM 228 CD1 LEU A 40 17.611 5.584 16.008 1.00 12.36 C +ATOM 229 CD2 LEU A 40 15.844 3.801 15.690 1.00 11.33 C +ATOM 230 N SER A 41 18.017 2.619 10.784 1.00 10.08 N +ATOM 231 CA SER A 41 17.633 2.325 9.392 1.00 9.83 C +ATOM 232 C SER A 41 16.628 1.157 9.359 1.00 11.23 C +ATOM 233 O SER A 41 15.750 1.106 8.464 1.00 12.63 O +ATOM 234 CB SER A 41 18.885 1.969 8.575 1.00 12.75 C +ATOM 235 OG SER A 41 19.557 0.851 9.167 1.00 16.22 O +ATOM 236 N LYS A 42 16.749 0.236 10.328 1.00 10.31 N +ATOM 237 CA LYS A 42 15.860 -0.918 10.369 1.00 10.03 C +ATOM 238 C LYS A 42 14.419 -0.444 10.523 1.00 11.92 C +ATOM 239 O LYS A 42 13.511 -0.865 9.813 1.00 11.66 O +ATOM 240 CB LYS A 42 16.230 -1.818 11.540 1.00 11.31 C +ATOM 241 CG LYS A 42 15.451 -3.150 11.573 1.00 13.38 C +ATOM 242 CD LYS A 42 15.827 -3.958 12.818 1.00 13.75 C +ATOM 243 CE LYS A 42 15.212 -5.361 12.793 1.00 14.52 C +ATOM 244 NZ LYS A 42 15.814 -6.266 11.742 1.00 16.73 N +ATOM 245 N LEU A 43 14.245 0.453 11.486 1.00 10.06 N +ATOM 246 CA LEU A 43 12.922 1.019 11.779 1.00 9.45 C +ATOM 247 C LEU A 43 12.460 1.942 10.676 1.00 9.46 C +ATOM 248 O LEU A 43 11.296 1.873 10.303 1.00 10.42 O +ATOM 249 CB LEU A 43 13.009 1.775 13.113 1.00 9.22 C +ATOM 250 CG LEU A 43 11.788 2.536 13.627 1.00 9.57 C +ATOM 251 CD1 LEU A 43 11.856 2.643 15.137 1.00 12.49 C +ATOM 252 CD2 LEU A 43 11.733 3.932 13.033 1.00 12.00 C +ATOM 253 N MET A 44 13.357 2.789 10.147 1.00 9.36 N +ATOM 254 CA MET A 44 12.893 3.733 9.133 1.00 9.62 C +ATOM 255 C MET A 44 12.453 3.010 7.868 1.00 13.01 C +ATOM 256 O MET A 44 11.427 3.379 7.282 1.00 13.51 O +ATOM 257 CB MET A 44 13.967 4.765 8.858 1.00 13.56 C +ATOM 258 CG MET A 44 14.232 5.611 10.113 1.00 14.32 C +ATOM 259 SD MET A 44 15.420 6.980 9.768 1.00 17.29 S +ATOM 260 CE MET A 44 16.928 6.082 9.664 1.00 18.74 C +ATOM 261 N LYS A 45 13.206 2.008 7.446 1.00 12.33 N +ATOM 262 CA LYS A 45 12.787 1.268 6.239 1.00 15.01 C +ATOM 263 C LYS A 45 11.467 0.547 6.445 1.00 15.91 C +ATOM 264 O LYS A 45 10.595 0.567 5.563 1.00 16.27 O +ATOM 265 CB LYS A 45 13.844 0.256 5.866 1.00 18.73 C +ATOM 266 CG LYS A 45 15.144 0.904 5.433 1.00 24.56 C +ATOM 267 CD LYS A 45 15.733 0.181 4.204 1.00 28.73 C +ATOM 268 CE LYS A 45 16.051 -1.282 4.490 1.00 30.96 C +ATOM 269 NZ LYS A 45 14.877 -2.213 4.381 1.00 31.41 N +ATOM 270 N ALA A 46 11.324 -0.114 7.585 1.00 14.01 N +ATOM 271 CA ALA A 46 10.103 -0.861 7.933 1.00 13.80 C +ATOM 272 C ALA A 46 8.905 0.063 7.969 1.00 13.56 C +ATOM 273 O ALA A 46 7.841 -0.291 7.473 1.00 13.18 O +ATOM 274 CB ALA A 46 10.263 -1.548 9.316 1.00 15.38 C +ATOM 275 N TYR A 47 9.086 1.226 8.587 1.00 11.29 N +ATOM 276 CA TYR A 47 8.013 2.198 8.724 1.00 11.49 C +ATOM 277 C TYR A 47 7.557 2.657 7.339 1.00 12.97 C +ATOM 278 O TYR A 47 6.331 2.689 7.047 1.00 12.68 O +ATOM 279 CB TYR A 47 8.515 3.377 9.560 1.00 10.40 C +ATOM 280 CG TYR A 47 7.464 4.463 9.780 1.00 10.24 C +ATOM 281 CD1 TYR A 47 6.647 4.430 10.910 1.00 12.39 C +ATOM 282 CD2 TYR A 47 7.334 5.517 8.895 1.00 10.51 C +ATOM 283 CE1 TYR A 47 5.730 5.457 11.177 1.00 14.70 C +ATOM 284 CE2 TYR A 47 6.400 6.545 9.159 1.00 12.87 C +ATOM 285 CZ TYR A 47 5.626 6.492 10.304 1.00 15.64 C +ATOM 286 OH TYR A 47 4.782 7.542 10.603 1.00 14.15 O +ATOM 287 N CYS A 48 8.504 3.001 6.484 1.00 12.63 N +ATOM 288 CA CYS A 48 8.111 3.493 5.144 1.00 16.00 C +ATOM 289 C CYS A 48 7.419 2.368 4.389 1.00 15.27 C +ATOM 290 O CYS A 48 6.373 2.591 3.754 1.00 17.99 O +ATOM 291 CB CYS A 48 9.338 3.979 4.364 1.00 15.13 C +ATOM 292 SG CYS A 48 10.011 5.478 5.028 1.00 17.34 S +ATOM 293 N GLU A 49 7.926 1.146 4.478 1.00 14.97 N +ATOM 294 CA GLU A 49 7.251 0.066 3.746 1.00 17.23 C +ATOM 295 C GLU A 49 5.807 -0.235 4.177 1.00 18.30 C +ATOM 296 O GLU A 49 4.862 -0.356 3.335 1.00 18.90 O +ATOM 297 CB GLU A 49 8.062 -1.220 3.871 1.00 19.85 C +ATOM 298 CG GLU A 49 9.416 -1.098 3.188 1.00 22.89 C +ATOM 299 CD GLU A 49 10.371 -2.217 3.525 1.00 28.48 C +ATOM 300 OE1 GLU A 49 10.062 -3.023 4.429 1.00 29.22 O +ATOM 301 OE2 GLU A 49 11.463 -2.282 2.906 1.00 27.94 O +ATOM 302 N ARG A 50 5.644 -0.366 5.490 1.00 15.98 N +ATOM 303 CA ARG A 50 4.384 -0.716 6.101 1.00 16.53 C +ATOM 304 C ARG A 50 3.331 0.368 6.148 1.00 18.12 C +ATOM 305 O ARG A 50 2.131 0.078 6.108 1.00 17.13 O +ATOM 306 CB ARG A 50 4.656 -1.231 7.497 1.00 17.33 C +ATOM 307 CG ARG A 50 5.338 -2.569 7.487 1.00 15.89 C +ATOM 308 CD ARG A 50 5.940 -2.901 8.886 1.00 16.01 C +ATOM 309 NE ARG A 50 6.476 -4.271 8.977 1.00 16.71 N +ATOM 310 CZ ARG A 50 5.752 -5.362 9.240 1.00 16.89 C +ATOM 311 NH1 ARG A 50 4.446 -5.262 9.449 1.00 17.97 N +ATOM 312 NH2 ARG A 50 6.364 -6.575 9.296 1.00 17.77 N +ATOM 313 N GLN A 51 3.764 1.613 6.272 1.00 17.30 N +ATOM 314 CA GLN A 51 2.792 2.698 6.369 1.00 17.87 C +ATOM 315 C GLN A 51 2.514 3.340 5.002 1.00 19.32 C +ATOM 316 O GLN A 51 1.745 4.318 4.900 1.00 21.29 O +ATOM 317 CB GLN A 51 3.307 3.744 7.357 1.00 18.28 C +ATOM 318 CG GLN A 51 3.546 3.171 8.778 1.00 18.83 C +ATOM 319 CD GLN A 51 2.225 2.836 9.445 1.00 19.10 C +ATOM 320 OE1 GLN A 51 1.341 3.682 9.528 1.00 18.14 O +ATOM 321 NE2 GLN A 51 2.075 1.591 9.914 1.00 20.19 N +ATOM 322 N GLY A 52 3.102 2.776 3.954 1.00 17.66 N +ATOM 323 CA GLY A 52 2.855 3.296 2.615 1.00 20.98 C +ATOM 324 C GLY A 52 3.458 4.657 2.359 1.00 23.34 C +ATOM 325 O GLY A 52 2.863 5.479 1.641 1.00 24.26 O +ATOM 326 N LEU A 53 4.651 4.892 2.896 1.00 23.56 N +ATOM 327 CA LEU A 53 5.331 6.169 2.737 1.00 25.86 C +ATOM 328 C LEU A 53 6.650 5.944 2.021 1.00 27.65 C +ATOM 329 O LEU A 53 7.151 4.818 1.976 1.00 30.18 O +ATOM 330 CB LEU A 53 5.590 6.796 4.101 1.00 26.38 C +ATOM 331 CG LEU A 53 4.317 7.111 4.862 1.00 27.68 C +ATOM 332 CD1 LEU A 53 4.649 7.296 6.333 1.00 28.70 C +ATOM 333 CD2 LEU A 53 3.644 8.358 4.271 1.00 28.69 C +ATOM 334 N SER A 54 7.213 6.988 1.433 1.00 27.64 N +ATOM 335 CA SER A 54 8.505 6.844 0.736 1.00 27.93 C +ATOM 336 C SER A 54 9.535 7.589 1.578 1.00 28.93 C +ATOM 337 O SER A 54 9.212 8.619 2.143 1.00 28.36 O +ATOM 338 CB SER A 54 8.430 7.452 -0.651 1.00 30.15 C +ATOM 339 OG SER A 54 7.564 8.570 -0.682 1.00 33.34 O +ATOM 340 N MET A 55 10.758 7.075 1.663 1.00 27.02 N +ATOM 341 CA MET A 55 11.783 7.677 2.499 1.00 29.28 C +ATOM 342 C MET A 55 12.084 9.116 2.130 1.00 31.11 C +ATOM 343 O MET A 55 12.335 9.966 2.991 1.00 30.59 O +ATOM 344 CB MET A 55 13.056 6.844 2.406 1.00 30.19 C +ATOM 345 CG MET A 55 14.056 7.071 3.471 1.00 31.35 C +ATOM 346 SD MET A 55 13.573 6.202 5.012 1.00 30.93 S +ATOM 347 CE MET A 55 14.261 4.481 4.690 1.00 30.13 C +ATOM 348 N ARG A 56 12.083 9.401 0.837 1.00 30.69 N +ATOM 349 CA ARG A 56 12.390 10.751 0.440 1.00 32.12 C +ATOM 350 C ARG A 56 11.325 11.749 0.834 1.00 31.61 C +ATOM 351 O ARG A 56 11.585 12.944 0.854 1.00 33.67 O +ATOM 352 CB ARG A 56 12.618 10.806 -1.070 1.00 32.98 C +ATOM 353 CG ARG A 56 13.037 12.197 -1.552 1.00 33.76 C +ATOM 354 CD ARG A 56 13.262 12.202 -3.061 1.00 34.27 C +ATOM 355 NE ARG A 56 14.136 11.098 -3.398 1.00 33.04 N +ATOM 356 CZ ARG A 56 15.366 10.954 -2.921 1.00 32.34 C +ATOM 357 NH1 ARG A 56 15.865 11.869 -2.099 1.00 33.87 N +ATOM 358 NH2 ARG A 56 16.060 9.860 -3.192 1.00 30.12 N +ATOM 359 N GLN A 57 10.128 11.286 1.151 1.00 30.90 N +ATOM 360 CA GLN A 57 9.073 12.205 1.511 1.00 32.07 C +ATOM 361 C GLN A 57 8.863 12.393 3.002 1.00 30.43 C +ATOM 362 O GLN A 57 8.092 13.260 3.400 1.00 31.87 O +ATOM 363 CB GLN A 57 7.766 11.789 0.877 1.00 35.17 C +ATOM 364 CG GLN A 57 7.034 10.699 1.587 1.00 39.05 C +ATOM 365 CD GLN A 57 5.696 10.427 0.945 1.00 42.16 C +ATOM 366 OE1 GLN A 57 4.956 11.368 0.627 1.00 44.78 O +ATOM 367 NE2 GLN A 57 5.366 9.150 0.747 1.00 42.60 N +ATOM 368 N ILE A 58 9.512 11.578 3.825 1.00 27.43 N +ATOM 369 CA ILE A 58 9.361 11.763 5.259 1.00 24.44 C +ATOM 370 C ILE A 58 10.702 11.993 5.922 1.00 23.12 C +ATOM 371 O ILE A 58 11.776 11.659 5.375 1.00 22.34 O +ATOM 372 CB ILE A 58 8.614 10.618 5.927 1.00 25.92 C +ATOM 373 CG1 ILE A 58 9.327 9.309 5.701 1.00 26.02 C +ATOM 374 CG2 ILE A 58 7.214 10.503 5.375 1.00 23.13 C +ATOM 375 CD1 ILE A 58 8.713 8.199 6.564 1.00 26.88 C +ATOM 376 N ARG A 59 10.671 12.618 7.089 1.00 19.69 N +ATOM 377 CA ARG A 59 11.897 12.904 7.819 1.00 19.07 C +ATOM 378 C ARG A 59 11.705 12.408 9.248 1.00 16.94 C +ATOM 379 O ARG A 59 10.644 12.642 9.841 1.00 17.27 O +ATOM 380 CB ARG A 59 12.202 14.415 7.853 1.00 22.09 C +ATOM 381 CG ARG A 59 12.469 15.035 6.469 1.00 25.43 C +ATOM 382 CD ARG A 59 13.776 14.514 5.851 1.00 30.68 C +ATOM 383 NE ARG A 59 14.027 14.973 4.469 1.00 34.40 N +ATOM 384 CZ ARG A 59 13.428 14.495 3.370 1.00 36.10 C +ATOM 385 NH1 ARG A 59 12.518 13.535 3.450 1.00 35.63 N +ATOM 386 NH2 ARG A 59 13.758 14.967 2.162 1.00 37.31 N +ATOM 387 N PHE A 60 12.684 11.649 9.761 1.00 15.33 N +ATOM 388 CA PHE A 60 12.606 11.140 11.119 1.00 13.36 C +ATOM 389 C PHE A 60 13.486 11.942 12.032 1.00 15.04 C +ATOM 390 O PHE A 60 14.668 12.153 11.718 1.00 16.27 O +ATOM 391 CB PHE A 60 13.070 9.673 11.220 1.00 12.86 C +ATOM 392 CG PHE A 60 12.249 8.713 10.418 1.00 13.58 C +ATOM 393 CD1 PHE A 60 12.482 8.523 9.050 1.00 13.14 C +ATOM 394 CD2 PHE A 60 11.291 7.934 11.049 1.00 12.98 C +ATOM 395 CE1 PHE A 60 11.760 7.568 8.329 1.00 11.68 C +ATOM 396 CE2 PHE A 60 10.550 6.972 10.333 1.00 13.20 C +ATOM 397 CZ PHE A 60 10.797 6.798 8.959 1.00 11.47 C +ATOM 398 N ARG A 61 12.937 12.370 13.165 1.00 14.09 N +ATOM 399 CA ARG A 61 13.725 13.139 14.129 1.00 16.67 C +ATOM 400 C ARG A 61 13.539 12.621 15.533 1.00 15.32 C +ATOM 401 O ARG A 61 12.506 12.034 15.873 1.00 13.43 O +ATOM 402 CB ARG A 61 13.305 14.608 14.116 1.00 19.68 C +ATOM 403 CG ARG A 61 13.482 15.225 12.747 1.00 24.26 C +ATOM 404 CD ARG A 61 13.351 16.751 12.720 1.00 30.81 C +ATOM 405 NE ARG A 61 13.997 17.235 11.497 1.00 35.81 N +ATOM 406 CZ ARG A 61 15.092 17.980 11.501 1.00 37.55 C +ATOM 407 NH1 ARG A 61 15.629 18.323 12.670 1.00 38.60 N +ATOM 408 NH2 ARG A 61 15.661 18.356 10.356 1.00 39.29 N +ATOM 409 N PHE A 62 14.549 12.861 16.361 1.00 14.14 N +ATOM 410 CA PHE A 62 14.428 12.482 17.770 1.00 14.86 C +ATOM 411 C PHE A 62 14.926 13.674 18.550 1.00 18.54 C +ATOM 412 O PHE A 62 16.060 14.078 18.351 1.00 19.29 O +ATOM 413 CB PHE A 62 15.312 11.309 18.143 1.00 15.28 C +ATOM 414 CG PHE A 62 15.248 10.979 19.596 1.00 16.96 C +ATOM 415 CD1 PHE A 62 16.412 11.020 20.366 1.00 18.46 C +ATOM 416 CD2 PHE A 62 14.021 10.675 20.192 1.00 18.05 C +ATOM 417 CE1 PHE A 62 16.368 10.753 21.747 1.00 19.24 C +ATOM 418 CE2 PHE A 62 13.963 10.409 21.570 1.00 19.55 C +ATOM 419 CZ PHE A 62 15.142 10.448 22.340 1.00 20.76 C +ATOM 420 N ASP A 63 14.083 14.179 19.444 1.00 20.79 N +ATOM 421 CA ASP A 63 14.459 15.324 20.272 1.00 25.21 C +ATOM 422 C ASP A 63 15.035 16.430 19.357 1.00 26.78 C +ATOM 423 O ASP A 63 16.075 17.062 19.646 1.00 28.78 O +ATOM 424 CB ASP A 63 15.437 14.846 21.350 1.00 28.32 C +ATOM 425 CG ASP A 63 15.484 15.779 22.536 1.00 31.72 C +ATOM 426 OD1 ASP A 63 16.473 15.720 23.319 1.00 35.03 O +ATOM 427 OD2 ASP A 63 14.524 16.571 22.675 1.00 32.52 O +ATOM 428 N GLY A 64 14.362 16.612 18.222 1.00 27.84 N +ATOM 429 CA GLY A 64 14.706 17.637 17.240 1.00 28.30 C +ATOM 430 C GLY A 64 15.822 17.415 16.239 1.00 29.26 C +ATOM 431 O GLY A 64 15.992 18.185 15.270 1.00 30.19 O +ATOM 432 N GLN A 65 16.593 16.369 16.457 1.00 27.06 N +ATOM 433 CA GLN A 65 17.693 16.081 15.593 1.00 27.01 C +ATOM 434 C GLN A 65 17.353 15.017 14.574 1.00 24.50 C +ATOM 435 O GLN A 65 16.665 14.045 14.888 1.00 20.44 O +ATOM 436 CB GLN A 65 18.883 15.636 16.440 1.00 30.26 C +ATOM 437 CG GLN A 65 19.548 16.822 17.117 1.00 33.11 C +ATOM 438 CD GLN A 65 19.694 16.724 18.651 1.00 35.96 C +ATOM 439 OE1 GLN A 65 20.341 17.587 19.242 1.00 32.56 O +ATOM 440 NE2 GLN A 65 19.087 15.700 19.290 1.00 35.01 N +ATOM 441 N PRO A 66 17.807 15.187 13.327 1.00 23.15 N +ATOM 442 CA PRO A 66 17.466 14.124 12.391 1.00 23.48 C +ATOM 443 C PRO A 66 18.211 12.842 12.776 1.00 22.22 C +ATOM 444 O PRO A 66 19.291 12.879 13.389 1.00 23.18 O +ATOM 445 CB PRO A 66 17.913 14.667 11.022 1.00 26.02 C +ATOM 446 CG PRO A 66 18.849 15.793 11.357 1.00 24.54 C +ATOM 447 CD PRO A 66 18.272 16.395 12.622 1.00 25.55 C +ATOM 448 N ILE A 67 17.597 11.715 12.463 1.00 18.57 N +ATOM 449 CA ILE A 67 18.185 10.399 12.756 1.00 16.16 C +ATOM 450 C ILE A 67 18.917 9.894 11.522 1.00 16.11 C +ATOM 451 O ILE A 67 18.339 9.853 10.448 1.00 18.55 O +ATOM 452 CB ILE A 67 17.065 9.405 13.106 1.00 15.41 C +ATOM 453 CG1 ILE A 67 16.329 9.925 14.355 1.00 13.74 C +ATOM 454 CG2 ILE A 67 17.648 7.982 13.318 1.00 15.25 C +ATOM 455 CD1 ILE A 67 15.081 9.091 14.759 1.00 13.61 C +ATOM 456 N ASN A 68 20.189 9.536 11.653 1.00 14.59 N +ATOM 457 CA ASN A 68 20.948 8.997 10.530 1.00 15.80 C +ATOM 458 C ASN A 68 20.810 7.464 10.475 1.00 15.10 C +ATOM 459 O ASN A 68 20.449 6.829 11.472 1.00 13.53 O +ATOM 460 CB ASN A 68 22.438 9.299 10.664 1.00 21.34 C +ATOM 461 CG ASN A 68 22.736 10.769 10.674 1.00 26.96 C +ATOM 462 OD1 ASN A 68 22.323 11.507 9.784 1.00 30.25 O +ATOM 463 ND2 ASN A 68 23.465 11.207 11.689 1.00 30.05 N +ATOM 464 N GLU A 69 21.075 6.895 9.291 1.00 13.83 N +ATOM 465 CA GLU A 69 20.968 5.464 9.036 1.00 14.96 C +ATOM 466 C GLU A 69 21.587 4.617 10.129 1.00 14.21 C +ATOM 467 O GLU A 69 20.938 3.666 10.608 1.00 13.54 O +ATOM 468 CB GLU A 69 21.679 5.058 7.704 1.00 17.42 C +ATOM 469 CG GLU A 69 21.862 3.534 7.529 1.00 19.90 C +ATOM 470 CD GLU A 69 23.061 3.121 6.605 1.00 21.39 C +ATOM 471 OE1 GLU A 69 23.679 3.992 5.957 1.00 24.29 O +ATOM 472 OE2 GLU A 69 23.381 1.919 6.576 1.00 19.57 O +ATOM 473 N THR A 70 22.822 4.963 10.532 1.00 13.96 N +ATOM 474 CA THR A 70 23.473 4.085 11.481 1.00 12.52 C +ATOM 475 C THR A 70 23.371 4.519 12.923 1.00 13.24 C +ATOM 476 O THR A 70 24.018 3.922 13.774 1.00 14.57 O +ATOM 477 CB THR A 70 24.936 3.895 11.156 1.00 14.51 C +ATOM 478 OG1 THR A 70 25.538 5.172 11.142 1.00 15.21 O +ATOM 479 CG2 THR A 70 25.155 3.235 9.797 1.00 14.96 C +ATOM 480 N ASP A 71 22.553 5.520 13.206 1.00 12.67 N +ATOM 481 CA ASP A 71 22.320 5.923 14.584 1.00 12.80 C +ATOM 482 C ASP A 71 21.538 4.803 15.220 1.00 11.80 C +ATOM 483 O ASP A 71 20.697 4.168 14.608 1.00 12.86 O +ATOM 484 CB ASP A 71 21.455 7.172 14.651 1.00 12.81 C +ATOM 485 CG ASP A 71 22.217 8.454 14.329 1.00 17.16 C +ATOM 486 OD1 ASP A 71 21.525 9.469 14.087 1.00 14.35 O +ATOM 487 OD2 ASP A 71 23.490 8.447 14.337 1.00 19.60 O +ATOM 488 N THR A 72 21.858 4.504 16.469 1.00 12.09 N +ATOM 489 CA THR A 72 21.121 3.487 17.193 1.00 9.98 C +ATOM 490 C THR A 72 20.416 4.108 18.415 1.00 9.36 C +ATOM 491 O THR A 72 20.755 5.229 18.849 1.00 10.62 O +ATOM 492 CB THR A 72 22.060 2.393 17.744 1.00 10.12 C +ATOM 493 OG1 THR A 72 22.886 2.940 18.800 1.00 11.49 O +ATOM 494 CG2 THR A 72 22.943 1.880 16.629 1.00 9.86 C +ATOM 495 N PRO A 73 19.382 3.428 18.950 1.00 8.06 N +ATOM 496 CA PRO A 73 18.731 4.019 20.131 1.00 9.45 C +ATOM 497 C PRO A 73 19.743 4.296 21.237 1.00 10.21 C +ATOM 498 O PRO A 73 19.723 5.338 21.889 1.00 12.41 O +ATOM 499 CB PRO A 73 17.743 2.933 20.587 1.00 10.39 C +ATOM 500 CG PRO A 73 17.344 2.288 19.263 1.00 10.53 C +ATOM 501 CD PRO A 73 18.633 2.264 18.425 1.00 9.88 C +ATOM 502 N ALA A 74 20.678 3.369 21.443 1.00 10.97 N +ATOM 503 CA ALA A 74 21.674 3.574 22.501 1.00 10.18 C +ATOM 504 C ALA A 74 22.573 4.795 22.219 1.00 9.55 C +ATOM 505 O ALA A 74 22.895 5.620 23.107 1.00 9.84 O +ATOM 506 CB ALA A 74 22.521 2.330 22.626 1.00 9.44 C +ATOM 507 N GLN A 75 23.004 4.923 20.969 1.00 8.17 N +ATOM 508 CA GLN A 75 23.841 6.041 20.612 1.00 10.95 C +ATOM 509 C GLN A 75 23.137 7.373 20.782 1.00 11.41 C +ATOM 510 O GLN A 75 23.756 8.369 21.147 1.00 12.80 O +ATOM 511 CB GLN A 75 24.271 5.898 19.172 1.00 13.56 C +ATOM 512 CG GLN A 75 25.276 6.963 18.750 1.00 19.71 C +ATOM 513 CD GLN A 75 25.949 6.617 17.449 1.00 25.68 C +ATOM 514 OE1 GLN A 75 26.813 5.708 17.375 1.00 30.55 O +ATOM 515 NE2 GLN A 75 25.564 7.311 16.405 1.00 27.70 N +ATOM 516 N LEU A 76 21.830 7.404 20.515 1.00 11.19 N +ATOM 517 CA LEU A 76 21.089 8.647 20.648 1.00 11.99 C +ATOM 518 C LEU A 76 20.588 8.859 22.076 1.00 11.91 C +ATOM 519 O LEU A 76 19.886 9.830 22.354 1.00 15.10 O +ATOM 520 CB LEU A 76 19.909 8.696 19.636 1.00 12.22 C +ATOM 521 CG LEU A 76 20.348 8.752 18.184 1.00 13.91 C +ATOM 522 CD1 LEU A 76 19.092 8.788 17.293 1.00 15.42 C +ATOM 523 CD2 LEU A 76 21.221 9.997 17.986 1.00 15.78 C +ATOM 524 N GLU A 77 20.949 7.942 22.974 1.00 11.11 N +ATOM 525 CA GLU A 77 20.578 8.006 24.385 1.00 12.71 C +ATOM 526 C GLU A 77 19.062 7.953 24.571 1.00 14.72 C +ATOM 527 O GLU A 77 18.439 8.598 25.426 1.00 16.15 O +ATOM 528 CB GLU A 77 21.264 9.231 25.084 1.00 11.11 C +ATOM 529 CG GLU A 77 22.834 9.201 24.879 1.00 14.64 C +ATOM 530 CD GLU A 77 23.625 10.120 25.813 1.00 16.30 C +ATOM 531 OE1 GLU A 77 24.587 9.629 26.452 1.00 14.33 O +ATOM 532 OE2 GLU A 77 23.267 11.315 25.890 1.00 17.34 O +ATOM 533 N MET A 78 18.428 7.163 23.699 1.00 12.66 N +ATOM 534 CA MET A 78 17.014 6.894 23.865 1.00 15.49 C +ATOM 535 C MET A 78 16.741 5.974 25.061 1.00 16.67 C +ATOM 536 O MET A 78 17.588 5.148 25.504 1.00 18.94 O +ATOM 537 CB MET A 78 16.493 6.201 22.627 1.00 13.02 C +ATOM 538 CG MET A 78 16.442 7.131 21.439 1.00 12.40 C +ATOM 539 SD MET A 78 15.791 6.194 19.983 1.00 14.65 S +ATOM 540 CE MET A 78 15.840 7.436 18.764 1.00 18.01 C +ATOM 541 N GLU A 79 15.530 6.103 25.581 1.00 15.77 N +ATOM 542 CA GLU A 79 15.065 5.294 26.697 1.00 18.69 C +ATOM 543 C GLU A 79 13.829 4.562 26.232 1.00 18.67 C +ATOM 544 O GLU A 79 13.181 4.943 25.251 1.00 18.37 O +ATOM 545 CB GLU A 79 14.667 6.157 27.918 1.00 21.92 C +ATOM 546 CG GLU A 79 15.766 7.034 28.561 1.00 27.84 C +ATOM 547 CD GLU A 79 16.738 6.253 29.428 1.00 29.44 C +ATOM 548 OE1 GLU A 79 16.406 5.136 29.839 1.00 31.70 O +ATOM 549 OE2 GLU A 79 17.850 6.767 29.706 1.00 33.73 O +ATOM 550 N ASP A 80 13.514 3.479 26.932 1.00 18.75 N +ATOM 551 CA ASP A 80 12.348 2.671 26.621 1.00 17.81 C +ATOM 552 C ASP A 80 11.121 3.608 26.575 1.00 17.37 C +ATOM 553 O ASP A 80 10.964 4.509 27.413 1.00 16.12 O +ATOM 554 CB ASP A 80 12.205 1.612 27.729 1.00 20.82 C +ATOM 555 CG ASP A 80 11.235 0.526 27.384 1.00 23.86 C +ATOM 556 OD1 ASP A 80 11.263 0.056 26.242 1.00 22.11 O +ATOM 557 OD2 ASP A 80 10.454 0.107 28.262 1.00 26.54 O +ATOM 558 N GLU A 81 10.255 3.356 25.592 1.00 16.04 N +ATOM 559 CA GLU A 81 9.041 4.129 25.319 1.00 17.35 C +ATOM 560 C GLU A 81 9.248 5.571 24.821 1.00 14.73 C +ATOM 561 O GLU A 81 8.322 6.396 24.844 1.00 18.02 O +ATOM 562 CB GLU A 81 8.097 4.093 26.536 1.00 19.68 C +ATOM 563 CG GLU A 81 7.648 2.652 26.883 1.00 26.49 C +ATOM 564 CD GLU A 81 6.845 1.946 25.793 1.00 28.26 C +ATOM 565 OE1 GLU A 81 6.691 0.705 25.891 1.00 31.19 O +ATOM 566 OE2 GLU A 81 6.368 2.594 24.831 1.00 29.92 O +ATOM 567 N ASP A 82 10.449 5.877 24.311 1.00 13.65 N +ATOM 568 CA ASP A 82 10.665 7.197 23.756 1.00 12.39 C +ATOM 569 C ASP A 82 9.903 7.276 22.426 1.00 12.63 C +ATOM 570 O ASP A 82 9.540 6.252 21.831 1.00 13.64 O +ATOM 571 CB ASP A 82 12.158 7.453 23.479 1.00 13.87 C +ATOM 572 CG ASP A 82 12.823 8.252 24.571 1.00 16.53 C +ATOM 573 OD1 ASP A 82 12.099 8.886 25.350 1.00 18.10 O +ATOM 574 OD2 ASP A 82 14.062 8.242 24.637 1.00 17.24 O +ATOM 575 N THR A 83 9.694 8.505 21.969 1.00 12.34 N +ATOM 576 CA THR A 83 8.974 8.763 20.707 1.00 13.30 C +ATOM 577 C THR A 83 9.872 9.396 19.659 1.00 11.83 C +ATOM 578 O THR A 83 10.676 10.310 19.934 1.00 13.27 O +ATOM 579 CB THR A 83 7.822 9.746 20.922 1.00 16.42 C +ATOM 580 OG1 THR A 83 6.879 9.175 21.811 1.00 19.56 O +ATOM 581 CG2 THR A 83 7.088 10.027 19.612 1.00 17.01 C +ATOM 582 N ILE A 84 9.803 8.842 18.462 1.00 9.99 N +ATOM 583 CA ILE A 84 10.486 9.407 17.319 1.00 10.07 C +ATOM 584 C ILE A 84 9.415 10.186 16.547 1.00 11.06 C +ATOM 585 O ILE A 84 8.310 9.701 16.358 1.00 12.25 O +ATOM 586 CB ILE A 84 11.042 8.251 16.427 1.00 10.89 C +ATOM 587 CG1 ILE A 84 12.259 7.613 17.138 1.00 10.85 C +ATOM 588 CG2 ILE A 84 11.378 8.775 14.990 1.00 12.32 C +ATOM 589 CD1 ILE A 84 12.612 6.232 16.567 1.00 11.86 C +ATOM 590 N ASP A 85 9.721 11.403 16.129 1.00 11.40 N +ATOM 591 CA ASP A 85 8.778 12.198 15.345 1.00 12.85 C +ATOM 592 C ASP A 85 8.988 12.058 13.843 1.00 13.46 C +ATOM 593 O ASP A 85 10.128 11.981 13.355 1.00 14.29 O +ATOM 594 CB ASP A 85 8.914 13.662 15.721 1.00 14.38 C +ATOM 595 CG ASP A 85 8.689 13.882 17.167 1.00 18.93 C +ATOM 596 OD1 ASP A 85 9.653 14.287 17.852 1.00 22.59 O +ATOM 597 OD2 ASP A 85 7.570 13.637 17.612 1.00 22.71 O +ATOM 598 N VAL A 86 7.887 11.975 13.105 1.00 13.49 N +ATOM 599 CA VAL A 86 7.930 11.867 11.639 1.00 15.32 C +ATOM 600 C VAL A 86 7.228 13.062 11.004 1.00 18.26 C +ATOM 601 O VAL A 86 6.134 13.427 11.422 1.00 19.16 O +ATOM 602 CB VAL A 86 7.220 10.558 11.169 1.00 14.38 C +ATOM 603 CG1 VAL A 86 6.911 10.596 9.670 1.00 20.15 C +ATOM 604 CG2 VAL A 86 8.157 9.381 11.449 1.00 18.19 C +ATOM 605 N PHE A 87 7.896 13.699 10.042 1.00 17.80 N +ATOM 606 CA PHE A 87 7.309 14.848 9.330 1.00 22.85 C +ATOM 607 C PHE A 87 7.199 14.429 7.875 1.00 26.23 C +ATOM 608 O PHE A 87 8.077 13.721 7.389 1.00 22.08 O +ATOM 609 CB PHE A 87 8.223 16.062 9.408 1.00 24.58 C +ATOM 610 CG PHE A 87 8.446 16.536 10.784 1.00 26.54 C +ATOM 611 CD1 PHE A 87 9.385 15.917 11.605 1.00 27.22 C +ATOM 612 CD2 PHE A 87 7.666 17.586 11.301 1.00 29.51 C +ATOM 613 CE1 PHE A 87 9.553 16.328 12.933 1.00 29.82 C +ATOM 614 CE2 PHE A 87 7.822 18.010 12.634 1.00 30.96 C +ATOM 615 CZ PHE A 87 8.768 17.378 13.449 1.00 30.62 C +ATOM 616 N GLN A 88 6.121 14.849 7.191 1.00 30.18 N +ATOM 617 CA GLN A 88 5.973 14.528 5.762 1.00 36.37 C +ATOM 618 C GLN A 88 6.504 15.712 4.916 1.00 39.41 C +ATOM 619 O GLN A 88 6.256 16.868 5.234 1.00 39.74 O +ATOM 620 CB GLN A 88 4.507 14.252 5.396 1.00 39.28 C +ATOM 621 CG GLN A 88 3.956 12.854 5.810 1.00 42.39 C +ATOM 622 CD GLN A 88 3.257 12.113 4.635 1.00 44.83 C +ATOM 623 OE1 GLN A 88 3.879 11.324 3.915 1.00 45.61 O +ATOM 624 NE2 GLN A 88 1.970 12.389 4.439 1.00 45.30 N +ATOM 625 N GLN A 89 7.236 15.409 3.844 1.00 41.68 N +ATOM 626 CA GLN A 89 7.820 16.426 2.961 1.00 43.74 C +ATOM 627 C GLN A 89 7.238 16.453 1.553 1.00 44.15 C +ATOM 628 O GLN A 89 7.598 17.398 0.814 1.00 44.69 O +ATOM 629 CB GLN A 89 9.323 16.196 2.885 1.00 45.93 C +ATOM 630 CG GLN A 89 9.901 16.004 4.248 1.00 48.24 C +ATOM 631 CD GLN A 89 9.687 17.230 5.096 1.00 50.01 C +ATOM 632 OE1 GLN A 89 10.455 18.193 5.011 1.00 51.71 O +ATOM 633 NE2 GLN A 89 8.624 17.223 5.904 1.00 50.73 N Added: SwiftApps/modFTdock/input/indata/1xed-3.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1xed-3.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1xed-3.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,803 @@ +ATOM 1 N PRO C 3 51.577 34.692 0.042 1.00 54.26 N +ATOM 2 CA PRO C 3 51.458 33.380 -0.646 1.00 53.56 C +ATOM 3 C PRO C 3 50.077 33.216 -1.288 1.00 52.92 C +ATOM 4 O PRO C 3 49.945 32.668 -2.387 1.00 52.82 O +ATOM 5 CB PRO C 3 51.686 32.302 0.407 1.00 52.62 C +ATOM 6 CG PRO C 3 52.464 33.065 1.480 1.00 53.63 C +ATOM 7 CD PRO C 3 51.872 34.483 1.471 1.00 54.43 C +ATOM 8 N ILE C 4 49.054 33.699 -0.589 1.00 51.37 N +ATOM 9 CA ILE C 4 47.670 33.617 -1.052 1.00 48.12 C +ATOM 10 C ILE C 4 47.172 35.036 -1.317 1.00 48.50 C +ATOM 11 O ILE C 4 46.968 35.802 -0.373 1.00 51.07 O +ATOM 12 CB ILE C 4 46.785 32.977 0.031 1.00 44.85 C +ATOM 13 CG1 ILE C 4 47.598 31.927 0.790 1.00 42.52 C +ATOM 14 CG2 ILE C 4 45.567 32.332 -0.606 1.00 43.27 C +ATOM 15 CD1 ILE C 4 46.914 31.370 1.997 1.00 41.35 C +ATOM 16 N PHE C 5 46.987 35.380 -2.592 1.00 46.01 N +ATOM 17 CA PHE C 5 46.526 36.711 -2.991 1.00 45.02 C +ATOM 18 C PHE C 5 45.146 36.685 -3.656 1.00 44.68 C +ATOM 19 O PHE C 5 44.769 35.708 -4.296 1.00 43.90 O +ATOM 20 CB PHE C 5 47.553 37.347 -3.944 1.00 49.35 C +ATOM 21 CG PHE C 5 46.939 38.125 -5.091 1.00 54.26 C +ATOM 22 CD1 PHE C 5 46.299 39.345 -4.872 1.00 57.29 C +ATOM 23 CD2 PHE C 5 46.981 37.620 -6.392 1.00 56.20 C +ATOM 24 CE1 PHE C 5 45.706 40.047 -5.935 1.00 59.85 C +ATOM 25 CE2 PHE C 5 46.393 38.314 -7.460 1.00 57.63 C +ATOM 26 CZ PHE C 5 45.754 39.527 -7.230 1.00 58.85 C +ATOM 27 N GLY C 6 44.407 37.781 -3.507 1.00 43.88 N +ATOM 28 CA GLY C 6 43.083 37.905 -4.093 1.00 42.53 C +ATOM 29 C GLY C 6 42.582 39.337 -3.981 1.00 41.83 C +ATOM 30 O GLY C 6 43.389 40.251 -3.776 1.00 41.70 O +ATOM 31 N PRO C 7 41.260 39.570 -4.104 1.00 39.44 N +ATOM 32 CA PRO C 7 40.664 40.907 -4.014 1.00 37.91 C +ATOM 33 C PRO C 7 40.451 41.283 -2.559 1.00 37.29 C +ATOM 34 O PRO C 7 39.603 40.702 -1.888 1.00 37.86 O +ATOM 35 CB PRO C 7 39.327 40.759 -4.739 1.00 39.02 C +ATOM 36 CG PRO C 7 39.257 39.291 -5.179 1.00 42.16 C +ATOM 37 CD PRO C 7 40.213 38.559 -4.301 1.00 39.32 C +ATOM 38 N GLU C 8 41.209 42.255 -2.069 1.00 39.11 N +ATOM 39 CA GLU C 8 41.075 42.666 -0.681 1.00 38.90 C +ATOM 40 C GLU C 8 39.652 43.143 -0.405 1.00 38.31 C +ATOM 41 O GLU C 8 39.125 42.951 0.692 1.00 35.12 O +ATOM 42 CB GLU C 8 42.082 43.767 -0.353 1.00 42.85 C +ATOM 43 CG GLU C 8 42.703 43.625 1.027 1.00 54.51 C +ATOM 44 CD GLU C 8 44.235 43.662 1.000 1.00 60.84 C +ATOM 45 OE1 GLU C 8 44.853 42.799 0.333 1.00 62.68 O +ATOM 46 OE2 GLU C 8 44.822 44.557 1.650 1.00 63.69 O +ATOM 47 N GLU C 9 39.027 43.753 -1.407 1.00 38.23 N +ATOM 48 CA GLU C 9 37.665 44.254 -1.260 1.00 39.25 C +ATOM 49 C GLU C 9 36.897 44.068 -2.566 1.00 37.80 C +ATOM 50 O GLU C 9 37.440 44.280 -3.647 1.00 38.73 O +ATOM 51 CB GLU C 9 37.701 45.735 -0.870 1.00 41.62 C +ATOM 52 CG GLU C 9 38.755 46.047 0.182 1.00 49.01 C +ATOM 53 CD GLU C 9 38.797 47.506 0.580 1.00 54.30 C +ATOM 54 OE1 GLU C 9 38.717 48.376 -0.315 1.00 57.84 O +ATOM 55 OE2 GLU C 9 38.928 47.783 1.793 1.00 59.45 O +ATOM 56 N VAL C 10 35.636 43.661 -2.452 1.00 34.82 N +ATOM 57 CA VAL C 10 34.767 43.435 -3.604 1.00 31.96 C +ATOM 58 C VAL C 10 33.429 44.112 -3.339 1.00 33.23 C +ATOM 59 O VAL C 10 32.799 43.873 -2.310 1.00 34.45 O +ATOM 60 CB VAL C 10 34.491 41.929 -3.810 1.00 28.88 C +ATOM 61 CG1 VAL C 10 33.683 41.713 -5.072 1.00 22.74 C +ATOM 62 CG2 VAL C 10 35.794 41.169 -3.868 1.00 29.24 C +ATOM 63 N ASN C 11 32.992 44.955 -4.265 1.00 34.71 N +ATOM 64 CA ASN C 11 31.721 45.653 -4.107 1.00 35.76 C +ATOM 65 C ASN C 11 30.809 45.204 -5.226 1.00 33.20 C +ATOM 66 O ASN C 11 31.259 45.000 -6.344 1.00 33.60 O +ATOM 67 CB ASN C 11 31.902 47.177 -4.218 1.00 36.10 C +ATOM 68 CG ASN C 11 33.097 47.700 -3.427 1.00 38.67 C +ATOM 69 OD1 ASN C 11 33.204 47.498 -2.214 1.00 37.79 O +ATOM 70 ND2 ASN C 11 33.997 48.388 -4.118 1.00 34.62 N +ATOM 71 N SER C 12 29.529 45.055 -4.924 1.00 32.76 N +ATOM 72 CA SER C 12 28.562 44.647 -5.923 1.00 33.87 C +ATOM 73 C SER C 12 27.212 45.262 -5.574 1.00 35.29 C +ATOM 74 O SER C 12 27.080 45.972 -4.569 1.00 37.86 O +ATOM 75 CB SER C 12 28.466 43.121 -5.968 1.00 35.69 C +ATOM 76 OG SER C 12 27.763 42.681 -7.119 1.00 38.76 O +ATOM 77 N VAL C 13 26.223 45.011 -6.424 1.00 33.83 N +ATOM 78 CA VAL C 13 24.886 45.536 -6.207 1.00 33.41 C +ATOM 79 C VAL C 13 23.937 44.372 -6.026 1.00 33.41 C +ATOM 80 O VAL C 13 24.028 43.372 -6.739 1.00 34.41 O +ATOM 81 CB VAL C 13 24.406 46.377 -7.394 1.00 33.08 C +ATOM 82 CG1 VAL C 13 23.076 47.008 -7.055 1.00 31.77 C +ATOM 83 CG2 VAL C 13 25.436 47.442 -7.737 1.00 33.91 C +ATOM 84 N GLU C 14 23.025 44.509 -5.072 1.00 32.00 N +ATOM 85 CA GLU C 14 22.069 43.455 -4.786 1.00 33.55 C +ATOM 86 C GLU C 14 21.362 42.972 -6.047 1.00 30.58 C +ATOM 87 O GLU C 14 20.883 43.768 -6.849 1.00 32.32 O +ATOM 88 CB GLU C 14 21.045 43.944 -3.761 1.00 35.19 C +ATOM 89 CG GLU C 14 20.196 42.831 -3.171 1.00 36.34 C +ATOM 90 CD GLU C 14 19.526 43.247 -1.884 1.00 36.74 C +ATOM 91 OE1 GLU C 14 19.016 42.364 -1.163 1.00 39.85 O +ATOM 92 OE2 GLU C 14 19.511 44.458 -1.595 1.00 39.20 O +ATOM 93 N GLY C 15 21.314 41.659 -6.221 1.00 28.06 N +ATOM 94 CA GLY C 15 20.660 41.105 -7.385 1.00 26.56 C +ATOM 95 C GLY C 15 21.621 40.650 -8.457 1.00 26.56 C +ATOM 96 O GLY C 15 21.236 39.908 -9.361 1.00 26.66 O +ATOM 97 N ASN C 16 22.872 41.089 -8.363 1.00 26.46 N +ATOM 98 CA ASN C 16 23.877 40.710 -9.349 1.00 26.56 C +ATOM 99 C ASN C 16 24.633 39.441 -8.979 1.00 25.74 C +ATOM 100 O ASN C 16 24.386 38.825 -7.940 1.00 24.56 O +ATOM 101 CB ASN C 16 24.900 41.834 -9.543 1.00 25.38 C +ATOM 102 CG ASN C 16 24.339 43.016 -10.295 1.00 26.36 C +ATOM 103 OD1 ASN C 16 23.266 42.933 -10.903 1.00 27.42 O +ATOM 104 ND2 ASN C 16 25.070 44.131 -10.271 1.00 23.57 N +ATOM 105 N SER C 17 25.557 39.065 -9.859 1.00 25.12 N +ATOM 106 CA SER C 17 26.414 37.908 -9.652 1.00 23.74 C +ATOM 107 C SER C 17 27.829 38.478 -9.609 1.00 24.61 C +ATOM 108 O SER C 17 28.117 39.476 -10.280 1.00 22.26 O +ATOM 109 CB SER C 17 26.292 36.934 -10.823 1.00 25.86 C +ATOM 110 OG SER C 17 24.944 36.546 -11.022 1.00 25.26 O +ATOM 111 N VAL C 18 28.704 37.866 -8.820 1.00 18.89 N +ATOM 112 CA VAL C 18 30.083 38.322 -8.725 1.00 18.68 C +ATOM 113 C VAL C 18 31.005 37.097 -8.707 1.00 20.28 C +ATOM 114 O VAL C 18 30.583 36.002 -8.341 1.00 21.58 O +ATOM 115 CB VAL C 18 30.292 39.193 -7.446 1.00 19.26 C +ATOM 116 CG1 VAL C 18 30.364 38.320 -6.216 1.00 16.41 C +ATOM 117 CG2 VAL C 18 31.541 40.054 -7.589 1.00 20.18 C +ATOM 118 N SER C 19 32.246 37.281 -9.147 1.00 21.87 N +ATOM 119 CA SER C 19 33.249 36.212 -9.174 1.00 22.15 C +ATOM 120 C SER C 19 34.475 36.706 -8.400 1.00 25.79 C +ATOM 121 O SER C 19 34.923 37.845 -8.607 1.00 26.57 O +ATOM 122 CB SER C 19 33.675 35.888 -10.614 1.00 18.81 C +ATOM 123 OG SER C 19 32.599 35.422 -11.406 1.00 20.26 O +ATOM 124 N ILE C 20 35.011 35.859 -7.519 1.00 24.34 N +ATOM 125 CA ILE C 20 36.184 36.209 -6.730 1.00 25.46 C +ATOM 126 C ILE C 20 37.298 35.214 -7.027 1.00 24.53 C +ATOM 127 O ILE C 20 37.130 34.004 -6.872 1.00 27.31 O +ATOM 128 CB ILE C 20 35.821 36.258 -5.240 1.00 25.29 C +ATOM 129 CG1 ILE C 20 34.559 37.117 -5.072 1.00 26.15 C +ATOM 130 CG2 ILE C 20 36.957 36.875 -4.447 1.00 25.46 C +ATOM 131 CD1 ILE C 20 34.035 37.202 -3.662 1.00 31.28 C +ATOM 132 N THR C 21 38.431 35.736 -7.488 1.00 24.46 N +ATOM 133 CA THR C 21 39.554 34.889 -7.856 1.00 24.56 C +ATOM 134 C THR C 21 40.721 35.000 -6.902 1.00 27.97 C +ATOM 135 O THR C 21 41.218 36.092 -6.628 1.00 26.66 O +ATOM 136 CB THR C 21 40.046 35.214 -9.269 1.00 24.51 C +ATOM 137 OG1 THR C 21 38.922 35.250 -10.157 1.00 25.19 O +ATOM 138 CG2 THR C 21 41.038 34.149 -9.747 1.00 21.87 C +ATOM 139 N CYS C 22 41.156 33.852 -6.398 1.00 28.21 N +ATOM 140 CA CYS C 22 42.274 33.815 -5.479 1.00 30.09 C +ATOM 141 C CYS C 22 43.436 33.017 -6.070 1.00 28.17 C +ATOM 142 O CYS C 22 43.240 31.980 -6.702 1.00 27.95 O +ATOM 143 CB CYS C 22 41.807 33.246 -4.136 1.00 32.66 C +ATOM 144 SG CYS C 22 40.885 34.450 -3.111 1.00 30.11 S +ATOM 145 N TYR C 23 44.645 33.533 -5.882 1.00 30.09 N +ATOM 146 CA TYR C 23 45.847 32.901 -6.407 1.00 28.27 C +ATOM 147 C TYR C 23 46.698 32.277 -5.323 1.00 28.22 C +ATOM 148 O TYR C 23 46.768 32.777 -4.200 1.00 29.05 O +ATOM 149 CB TYR C 23 46.683 33.916 -7.179 1.00 29.68 C +ATOM 150 CG TYR C 23 45.971 34.487 -8.378 1.00 30.05 C +ATOM 151 CD1 TYR C 23 44.845 35.290 -8.231 1.00 31.03 C +ATOM 152 CD2 TYR C 23 46.425 34.225 -9.660 1.00 32.88 C +ATOM 153 CE1 TYR C 23 44.190 35.819 -9.341 1.00 33.34 C +ATOM 154 CE2 TYR C 23 45.780 34.746 -10.776 1.00 32.61 C +ATOM 155 CZ TYR C 23 44.665 35.541 -10.614 1.00 33.32 C +ATOM 156 OH TYR C 23 44.036 36.058 -11.730 1.00 30.04 O +ATOM 157 N TYR C 24 47.336 31.169 -5.673 1.00 26.99 N +ATOM 158 CA TYR C 24 48.206 30.449 -4.753 1.00 28.84 C +ATOM 159 C TYR C 24 49.373 29.849 -5.543 1.00 30.68 C +ATOM 160 O TYR C 24 49.323 29.760 -6.773 1.00 28.32 O +ATOM 161 CB TYR C 24 47.419 29.345 -4.013 1.00 25.68 C +ATOM 162 CG TYR C 24 46.883 28.225 -4.888 1.00 25.02 C +ATOM 163 CD1 TYR C 24 47.729 27.236 -5.388 1.00 23.06 C +ATOM 164 CD2 TYR C 24 45.524 28.164 -5.229 1.00 27.92 C +ATOM 165 CE1 TYR C 24 47.243 26.209 -6.211 1.00 26.25 C +ATOM 166 CE2 TYR C 24 45.021 27.137 -6.055 1.00 28.57 C +ATOM 167 CZ TYR C 24 45.890 26.165 -6.543 1.00 26.69 C +ATOM 168 OH TYR C 24 45.421 25.163 -7.373 1.00 28.41 O +ATOM 169 N PRO C 25 50.448 29.449 -4.850 1.00 31.57 N +ATOM 170 CA PRO C 25 51.608 28.859 -5.534 1.00 33.85 C +ATOM 171 C PRO C 25 51.211 27.523 -6.168 1.00 33.82 C +ATOM 172 O PRO C 25 50.881 26.571 -5.461 1.00 35.36 O +ATOM 173 CB PRO C 25 52.617 28.683 -4.401 1.00 36.15 C +ATOM 174 CG PRO C 25 52.262 29.808 -3.450 1.00 36.76 C +ATOM 175 CD PRO C 25 50.751 29.704 -3.431 1.00 34.81 C +ATOM 176 N PRO C 26 51.243 27.434 -7.510 1.00 33.14 N +ATOM 177 CA PRO C 26 50.869 26.198 -8.200 1.00 33.20 C +ATOM 178 C PRO C 26 51.851 25.047 -8.009 1.00 34.21 C +ATOM 179 O PRO C 26 52.190 24.343 -8.958 1.00 35.21 O +ATOM 180 CB PRO C 26 50.768 26.642 -9.650 1.00 30.65 C +ATOM 181 CG PRO C 26 51.875 27.616 -9.740 1.00 32.52 C +ATOM 182 CD PRO C 26 51.710 28.440 -8.478 1.00 31.81 C +ATOM 183 N THR C 27 52.313 24.866 -6.779 1.00 32.86 N +ATOM 184 CA THR C 27 53.222 23.779 -6.482 1.00 34.52 C +ATOM 185 C THR C 27 52.385 22.510 -6.589 1.00 37.48 C +ATOM 186 O THR C 27 51.151 22.567 -6.557 1.00 37.40 O +ATOM 187 CB THR C 27 53.777 23.878 -5.061 1.00 32.60 C +ATOM 188 OG1 THR C 27 52.766 23.485 -4.127 1.00 33.97 O +ATOM 189 CG2 THR C 27 54.212 25.298 -4.761 1.00 32.54 C +ATOM 190 N SER C 28 53.063 21.374 -6.714 1.00 38.85 N +ATOM 191 CA SER C 28 52.419 20.071 -6.847 1.00 39.12 C +ATOM 192 C SER C 28 51.387 19.783 -5.759 1.00 38.92 C +ATOM 193 O SER C 28 50.257 19.395 -6.049 1.00 38.47 O +ATOM 194 CB SER C 28 53.489 18.971 -6.842 1.00 40.35 C +ATOM 195 OG SER C 28 52.911 17.687 -6.980 1.00 41.58 O +ATOM 196 N VAL C 29 51.780 19.967 -4.504 1.00 39.75 N +ATOM 197 CA VAL C 29 50.882 19.709 -3.386 1.00 38.94 C +ATOM 198 C VAL C 29 49.663 20.625 -3.376 1.00 37.61 C +ATOM 199 O VAL C 29 48.536 20.152 -3.231 1.00 37.91 O +ATOM 200 CB VAL C 29 51.622 19.847 -2.049 1.00 39.73 C +ATOM 201 CG1 VAL C 29 52.575 18.680 -1.858 1.00 42.09 C +ATOM 202 CG2 VAL C 29 52.391 21.146 -2.029 1.00 43.36 C +ATOM 203 N ASN C 30 49.887 21.930 -3.538 1.00 39.22 N +ATOM 204 CA ASN C 30 48.796 22.908 -3.536 1.00 35.93 C +ATOM 205 C ASN C 30 47.714 22.607 -4.570 1.00 34.89 C +ATOM 206 O ASN C 30 46.528 22.822 -4.310 1.00 33.60 O +ATOM 207 CB ASN C 30 49.331 24.331 -3.771 1.00 33.59 C +ATOM 208 CG ASN C 30 50.057 24.899 -2.563 1.00 34.07 C +ATOM 209 OD1 ASN C 30 49.712 24.596 -1.418 1.00 36.25 O +ATOM 210 ND2 ASN C 30 51.056 25.747 -2.812 1.00 33.85 N +ATOM 211 N ARG C 31 48.126 22.113 -5.735 1.00 35.04 N +ATOM 212 CA ARG C 31 47.195 21.791 -6.812 1.00 36.01 C +ATOM 213 C ARG C 31 46.155 20.736 -6.452 1.00 36.32 C +ATOM 214 O ARG C 31 45.149 20.589 -7.147 1.00 38.09 O +ATOM 215 CB ARG C 31 47.957 21.356 -8.059 1.00 35.14 C +ATOM 216 CG ARG C 31 48.753 22.472 -8.699 1.00 35.82 C +ATOM 217 CD ARG C 31 49.357 22.007 -9.997 1.00 37.41 C +ATOM 218 NE ARG C 31 50.070 23.076 -10.683 1.00 41.53 N +ATOM 219 CZ ARG C 31 50.702 22.916 -11.839 1.00 43.89 C +ATOM 220 NH1 ARG C 31 50.702 21.731 -12.427 1.00 46.90 N +ATOM 221 NH2 ARG C 31 51.333 23.936 -12.405 1.00 47.06 N +ATOM 222 N HIS C 32 46.396 19.982 -5.388 1.00 36.98 N +ATOM 223 CA HIS C 32 45.414 18.999 -4.966 1.00 36.59 C +ATOM 224 C HIS C 32 45.128 19.111 -3.473 1.00 35.70 C +ATOM 225 O HIS C 32 44.733 18.139 -2.829 1.00 33.72 O +ATOM 226 CB HIS C 32 45.831 17.571 -5.346 1.00 39.19 C +ATOM 227 CG HIS C 32 47.127 17.122 -4.749 1.00 38.88 C +ATOM 228 ND1 HIS C 32 48.303 17.090 -5.466 1.00 38.34 N +ATOM 229 CD2 HIS C 32 47.421 16.639 -3.518 1.00 38.88 C +ATOM 230 CE1 HIS C 32 49.266 16.603 -4.703 1.00 40.69 C +ATOM 231 NE2 HIS C 32 48.757 16.321 -3.516 1.00 40.20 N +ATOM 232 N THR C 33 45.330 20.321 -2.944 1.00 36.34 N +ATOM 233 CA THR C 33 45.062 20.650 -1.539 1.00 33.31 C +ATOM 234 C THR C 33 43.737 21.419 -1.501 1.00 33.38 C +ATOM 235 O THR C 33 43.505 22.315 -2.317 1.00 32.13 O +ATOM 236 CB THR C 33 46.143 21.565 -0.941 1.00 32.99 C +ATOM 237 OG1 THR C 33 47.428 20.949 -1.086 1.00 36.68 O +ATOM 238 CG2 THR C 33 45.864 21.818 0.539 1.00 28.99 C +ATOM 239 N ARG C 34 42.884 21.065 -0.546 1.00 32.29 N +ATOM 240 CA ARG C 34 41.565 21.672 -0.370 1.00 32.65 C +ATOM 241 C ARG C 34 41.503 23.189 -0.601 1.00 31.79 C +ATOM 242 O ARG C 34 42.366 23.924 -0.124 1.00 31.70 O +ATOM 243 CB ARG C 34 41.070 21.325 1.034 1.00 28.96 C +ATOM 244 CG ARG C 34 39.797 21.996 1.490 1.00 29.20 C +ATOM 245 CD ARG C 34 39.491 21.545 2.921 1.00 28.62 C +ATOM 246 NE ARG C 34 38.601 22.458 3.629 1.00 27.59 N +ATOM 247 CZ ARG C 34 37.282 22.439 3.520 1.00 27.54 C +ATOM 248 NH1 ARG C 34 36.700 21.548 2.734 1.00 33.11 N +ATOM 249 NH2 ARG C 34 36.546 23.311 4.193 1.00 30.17 N +ATOM 250 N LYS C 35 40.496 23.646 -1.352 1.00 31.26 N +ATOM 251 CA LYS C 35 40.326 25.078 -1.604 1.00 29.30 C +ATOM 252 C LYS C 35 39.025 25.443 -0.898 1.00 26.20 C +ATOM 253 O LYS C 35 38.046 24.716 -1.017 1.00 27.48 O +ATOM 254 CB LYS C 35 40.185 25.358 -3.108 1.00 31.21 C +ATOM 255 CG LYS C 35 41.089 24.544 -4.043 1.00 33.89 C +ATOM 256 CD LYS C 35 42.543 24.986 -4.004 1.00 31.68 C +ATOM 257 CE LYS C 35 43.377 24.279 -5.076 1.00 34.81 C +ATOM 258 NZ LYS C 35 43.401 22.790 -4.957 1.00 30.84 N +ATOM 259 N TYR C 36 39.002 26.552 -0.166 1.00 25.07 N +ATOM 260 CA TYR C 36 37.788 26.930 0.542 1.00 24.20 C +ATOM 261 C TYR C 36 37.456 28.414 0.526 1.00 22.23 C +ATOM 262 O TYR C 36 38.315 29.262 0.290 1.00 20.58 O +ATOM 263 CB TYR C 36 37.861 26.435 1.990 1.00 24.80 C +ATOM 264 CG TYR C 36 38.928 27.085 2.853 1.00 24.45 C +ATOM 265 CD1 TYR C 36 38.747 28.366 3.384 1.00 26.20 C +ATOM 266 CD2 TYR C 36 40.099 26.399 3.178 1.00 23.56 C +ATOM 267 CE1 TYR C 36 39.705 28.947 4.227 1.00 25.91 C +ATOM 268 CE2 TYR C 36 41.063 26.970 4.016 1.00 25.75 C +ATOM 269 CZ TYR C 36 40.859 28.241 4.539 1.00 26.34 C +ATOM 270 OH TYR C 36 41.804 28.794 5.379 1.00 24.42 O +ATOM 271 N TRP C 37 36.185 28.696 0.784 1.00 23.24 N +ATOM 272 CA TRP C 37 35.643 30.041 0.840 1.00 23.27 C +ATOM 273 C TRP C 37 34.779 30.050 2.096 1.00 24.42 C +ATOM 274 O TRP C 37 33.801 29.314 2.178 1.00 27.21 O +ATOM 275 CB TRP C 37 34.791 30.276 -0.399 1.00 22.15 C +ATOM 276 CG TRP C 37 34.031 31.549 -0.399 1.00 21.99 C +ATOM 277 CD1 TRP C 37 32.671 31.686 -0.411 1.00 20.87 C +ATOM 278 CD2 TRP C 37 34.571 32.872 -0.478 1.00 19.27 C +ATOM 279 NE1 TRP C 37 32.331 33.011 -0.505 1.00 23.64 N +ATOM 280 CE2 TRP C 37 33.478 33.764 -0.549 1.00 23.86 C +ATOM 281 CE3 TRP C 37 35.870 33.392 -0.501 1.00 18.40 C +ATOM 282 CZ2 TRP C 37 33.649 35.158 -0.646 1.00 21.29 C +ATOM 283 CZ3 TRP C 37 36.037 34.779 -0.597 1.00 18.27 C +ATOM 284 CH2 TRP C 37 34.933 35.640 -0.670 1.00 18.93 C +ATOM 285 N CYS C 38 35.147 30.855 3.085 1.00 26.90 N +ATOM 286 CA CYS C 38 34.377 30.907 4.327 1.00 29.80 C +ATOM 287 C CYS C 38 34.076 32.327 4.764 1.00 29.77 C +ATOM 288 O CYS C 38 34.696 33.287 4.306 1.00 31.14 O +ATOM 289 CB CYS C 38 35.120 30.203 5.464 1.00 29.76 C +ATOM 290 SG CYS C 38 36.659 31.052 5.929 1.00 41.42 S +ATOM 291 N ARG C 39 33.108 32.449 5.659 1.00 32.03 N +ATOM 292 CA ARG C 39 32.723 33.745 6.173 1.00 36.97 C +ATOM 293 C ARG C 39 33.155 33.883 7.624 1.00 38.78 C +ATOM 294 O ARG C 39 32.989 32.960 8.423 1.00 41.65 O +ATOM 295 CB ARG C 39 31.217 33.950 6.052 1.00 35.09 C +ATOM 296 CG ARG C 39 30.779 35.276 6.624 1.00 40.16 C +ATOM 297 CD ARG C 39 29.493 35.779 6.008 1.00 41.90 C +ATOM 298 NE ARG C 39 29.150 37.088 6.551 1.00 46.26 N +ATOM 299 CZ ARG C 39 28.106 37.812 6.167 1.00 46.90 C +ATOM 300 NH1 ARG C 39 27.285 37.361 5.225 1.00 45.58 N +ATOM 301 NH2 ARG C 39 27.879 38.988 6.739 1.00 49.78 N +ATOM 302 N GLN C 40 33.710 35.044 7.958 1.00 39.02 N +ATOM 303 CA GLN C 40 34.175 35.301 9.313 1.00 39.26 C +ATOM 304 C GLN C 40 32.996 35.672 10.206 1.00 38.05 C +ATOM 305 O GLN C 40 31.930 36.049 9.714 1.00 37.82 O +ATOM 306 CB GLN C 40 35.214 36.427 9.303 1.00 39.61 C +ATOM 307 CG GLN C 40 36.375 36.193 8.334 1.00 39.83 C +ATOM 308 CD GLN C 40 37.417 37.308 8.361 1.00 43.72 C +ATOM 309 OE1 GLN C 40 38.068 37.541 9.381 1.00 41.90 O +ATOM 310 NE2 GLN C 40 37.578 38.001 7.232 1.00 42.50 N +ATOM 311 N CYS C 46 35.591 31.256 11.243 1.00 36.68 N +ATOM 312 CA CYS C 46 35.228 31.320 9.830 1.00 37.79 C +ATOM 313 C CYS C 46 34.527 30.036 9.402 1.00 35.03 C +ATOM 314 O CYS C 46 35.091 28.947 9.480 1.00 39.52 O +ATOM 315 CB CYS C 46 36.471 31.545 8.968 1.00 36.70 C +ATOM 316 SG CYS C 46 36.134 32.385 7.381 1.00 45.18 S +ATOM 317 N ILE C 47 33.295 30.179 8.939 1.00 31.80 N +ATOM 318 CA ILE C 47 32.475 29.049 8.515 1.00 34.15 C +ATOM 319 C ILE C 47 32.526 28.778 7.014 1.00 32.65 C +ATOM 320 O ILE C 47 32.252 29.665 6.205 1.00 29.90 O +ATOM 321 CB ILE C 47 30.998 29.251 8.873 1.00 35.86 C +ATOM 322 CG1 ILE C 47 30.866 29.711 10.323 1.00 41.42 C +ATOM 323 CG2 ILE C 47 30.238 27.951 8.648 1.00 36.40 C +ATOM 324 CD1 ILE C 47 31.233 31.173 10.543 1.00 45.32 C +ATOM 325 N THR C 48 32.844 27.539 6.646 1.00 29.68 N +ATOM 326 CA THR C 48 32.926 27.176 5.238 1.00 27.15 C +ATOM 327 C THR C 48 31.590 27.303 4.522 1.00 24.84 C +ATOM 328 O THR C 48 30.563 26.815 4.987 1.00 24.44 O +ATOM 329 CB THR C 48 33.485 25.753 5.048 1.00 27.35 C +ATOM 330 OG1 THR C 48 34.843 25.720 5.506 1.00 32.06 O +ATOM 331 CG2 THR C 48 33.465 25.356 3.569 1.00 27.54 C +ATOM 332 N LEU C 49 31.622 27.988 3.385 1.00 23.47 N +ATOM 333 CA LEU C 49 30.446 28.217 2.563 1.00 23.56 C +ATOM 334 C LEU C 49 30.472 27.255 1.390 1.00 23.57 C +ATOM 335 O LEU C 49 29.442 26.728 0.969 1.00 24.88 O +ATOM 336 CB LEU C 49 30.462 29.645 2.030 1.00 20.71 C +ATOM 337 CG LEU C 49 30.113 30.703 3.066 1.00 24.67 C +ATOM 338 CD1 LEU C 49 30.503 32.084 2.571 1.00 21.90 C +ATOM 339 CD2 LEU C 49 28.617 30.607 3.355 1.00 22.23 C +ATOM 340 N ILE C 50 31.669 27.050 0.855 1.00 23.20 N +ATOM 341 CA ILE C 50 31.875 26.152 -0.271 1.00 22.29 C +ATOM 342 C ILE C 50 33.339 25.747 -0.347 1.00 22.10 C +ATOM 343 O ILE C 50 34.225 26.550 -0.085 1.00 20.76 O +ATOM 344 CB ILE C 50 31.451 26.803 -1.614 1.00 24.22 C +ATOM 345 CG1 ILE C 50 31.627 25.789 -2.753 1.00 20.76 C +ATOM 346 CG2 ILE C 50 32.251 28.085 -1.862 1.00 20.30 C +ATOM 347 CD1 ILE C 50 30.749 26.060 -3.952 1.00 19.62 C +ATOM 348 N SER C 51 33.587 24.494 -0.708 1.00 24.02 N +ATOM 349 CA SER C 51 34.946 23.958 -0.803 1.00 25.59 C +ATOM 350 C SER C 51 35.138 23.146 -2.095 1.00 23.59 C +ATOM 351 O SER C 51 34.164 22.707 -2.695 1.00 26.76 O +ATOM 352 CB SER C 51 35.224 23.083 0.427 1.00 28.66 C +ATOM 353 OG SER C 51 36.527 22.538 0.405 1.00 36.19 O +ATOM 354 N SER C 52 36.402 22.944 -2.496 1.00 27.03 N +ATOM 355 CA SER C 52 36.775 22.239 -3.744 1.00 24.29 C +ATOM 356 C SER C 52 36.752 20.710 -3.794 1.00 24.74 C +ATOM 357 O SER C 52 36.989 20.134 -4.852 1.00 22.15 O +ATOM 358 CB SER C 52 38.154 22.715 -4.242 1.00 23.04 C +ATOM 359 OG SER C 52 39.222 22.265 -3.416 1.00 17.50 O +ATOM 360 N GLU C 53 36.495 20.047 -2.671 1.00 26.14 N +ATOM 361 CA GLU C 53 36.417 18.588 -2.688 1.00 29.41 C +ATOM 362 C GLU C 53 34.979 18.195 -3.008 1.00 27.51 C +ATOM 363 O GLU C 53 34.649 17.007 -3.091 1.00 28.05 O +ATOM 364 CB GLU C 53 36.841 17.969 -1.342 1.00 31.96 C +ATOM 365 CG GLU C 53 37.187 18.946 -0.229 1.00 39.57 C +ATOM 366 CD GLU C 53 35.965 19.512 0.475 1.00 39.76 C +ATOM 367 OE1 GLU C 53 35.198 20.265 -0.162 1.00 36.38 O +ATOM 368 OE2 GLU C 53 35.779 19.201 1.674 1.00 45.01 O +ATOM 369 N GLY C 54 34.131 19.210 -3.183 1.00 27.37 N +ATOM 370 CA GLY C 54 32.728 18.987 -3.502 1.00 26.76 C +ATOM 371 C GLY C 54 31.738 19.515 -2.472 1.00 25.99 C +ATOM 372 O GLY C 54 30.528 19.374 -2.640 1.00 21.93 O +ATOM 373 N TYR C 55 32.255 20.125 -1.408 1.00 26.16 N +ATOM 374 CA TYR C 55 31.425 20.669 -0.343 1.00 26.12 C +ATOM 375 C TYR C 55 30.830 22.055 -0.626 1.00 25.77 C +ATOM 376 O TYR C 55 31.502 22.952 -1.131 1.00 26.51 O +ATOM 377 CB TYR C 55 32.225 20.745 0.958 1.00 26.80 C +ATOM 378 CG TYR C 55 31.372 21.078 2.159 1.00 28.07 C +ATOM 379 CD1 TYR C 55 30.557 20.110 2.740 1.00 29.04 C +ATOM 380 CD2 TYR C 55 31.333 22.373 2.677 1.00 26.60 C +ATOM 381 CE1 TYR C 55 29.724 20.416 3.795 1.00 27.31 C +ATOM 382 CE2 TYR C 55 30.505 22.690 3.734 1.00 26.78 C +ATOM 383 CZ TYR C 55 29.700 21.704 4.286 1.00 28.14 C +ATOM 384 OH TYR C 55 28.854 22.002 5.323 1.00 30.04 O +ATOM 385 N VAL C 56 29.557 22.207 -0.284 1.00 22.79 N +ATOM 386 CA VAL C 56 28.840 23.461 -0.439 1.00 25.76 C +ATOM 387 C VAL C 56 27.832 23.465 0.690 1.00 26.52 C +ATOM 388 O VAL C 56 27.040 22.528 0.825 1.00 27.87 O +ATOM 389 CB VAL C 56 28.091 23.565 -1.804 1.00 25.39 C +ATOM 390 CG1 VAL C 56 27.149 22.398 -1.987 1.00 25.79 C +ATOM 391 CG2 VAL C 56 27.314 24.868 -1.876 1.00 21.69 C +ATOM 392 N SER C 57 27.882 24.499 1.523 1.00 27.98 N +ATOM 393 CA SER C 57 26.953 24.598 2.639 1.00 29.03 C +ATOM 394 C SER C 57 25.541 24.823 2.101 1.00 28.80 C +ATOM 395 O SER C 57 25.357 25.201 0.945 1.00 29.26 O +ATOM 396 CB SER C 57 27.331 25.758 3.551 1.00 28.62 C +ATOM 397 OG SER C 57 26.646 26.932 3.159 1.00 33.20 O +ATOM 398 N SER C 58 24.545 24.585 2.941 1.00 30.80 N +ATOM 399 CA SER C 58 23.160 24.767 2.535 1.00 32.59 C +ATOM 400 C SER C 58 22.868 26.225 2.163 1.00 31.47 C +ATOM 401 O SER C 58 21.901 26.502 1.466 1.00 33.54 O +ATOM 402 CB SER C 58 22.219 24.305 3.658 1.00 34.44 C +ATOM 403 OG SER C 58 22.519 24.958 4.881 1.00 31.76 O +ATOM 404 N LYS C 59 23.707 27.151 2.624 1.00 33.16 N +ATOM 405 CA LYS C 59 23.530 28.574 2.327 1.00 31.74 C +ATOM 406 C LYS C 59 23.968 28.923 0.901 1.00 32.63 C +ATOM 407 O LYS C 59 23.377 29.796 0.266 1.00 32.81 O +ATOM 408 CB LYS C 59 24.319 29.429 3.330 1.00 33.63 C +ATOM 409 N TYR C 60 24.998 28.246 0.396 1.00 28.56 N +ATOM 410 CA TYR C 60 25.480 28.530 -0.949 1.00 27.85 C +ATOM 411 C TYR C 60 24.936 27.601 -2.021 1.00 27.48 C +ATOM 412 O TYR C 60 25.035 27.895 -3.209 1.00 31.88 O +ATOM 413 CB TYR C 60 27.013 28.508 -0.985 1.00 26.73 C +ATOM 414 CG TYR C 60 27.637 29.881 -0.881 1.00 27.72 C +ATOM 415 CD1 TYR C 60 28.859 30.157 -1.481 1.00 26.16 C +ATOM 416 CD2 TYR C 60 26.982 30.921 -0.218 1.00 27.49 C +ATOM 417 CE1 TYR C 60 29.409 31.437 -1.431 1.00 24.89 C +ATOM 418 CE2 TYR C 60 27.526 32.194 -0.165 1.00 26.55 C +ATOM 419 CZ TYR C 60 28.736 32.444 -0.773 1.00 21.97 C +ATOM 420 OH TYR C 60 29.270 33.706 -0.718 1.00 23.42 O +ATOM 421 N ALA C 61 24.368 26.479 -1.608 1.00 27.61 N +ATOM 422 CA ALA C 61 23.819 25.528 -2.559 1.00 27.09 C +ATOM 423 C ALA C 61 22.810 26.208 -3.478 1.00 27.55 C +ATOM 424 O ALA C 61 21.839 26.809 -3.015 1.00 23.71 O +ATOM 425 CB ALA C 61 23.158 24.370 -1.821 1.00 28.45 C +ATOM 426 N GLY C 62 23.060 26.123 -4.782 1.00 29.10 N +ATOM 427 CA GLY C 62 22.156 26.711 -5.752 1.00 28.18 C +ATOM 428 C GLY C 62 22.426 28.151 -6.146 1.00 28.88 C +ATOM 429 O GLY C 62 22.004 28.574 -7.218 1.00 31.51 O +ATOM 430 N ARG C 63 23.129 28.910 -5.310 1.00 28.37 N +ATOM 431 CA ARG C 63 23.400 30.307 -5.636 1.00 28.78 C +ATOM 432 C ARG C 63 24.868 30.602 -5.835 1.00 27.62 C +ATOM 433 O ARG C 63 25.240 31.752 -6.046 1.00 27.70 O +ATOM 434 CB ARG C 63 22.844 31.232 -4.546 1.00 31.02 C +ATOM 435 CG ARG C 63 23.442 31.025 -3.152 1.00 36.76 C +ATOM 436 CD ARG C 63 24.822 31.656 -3.016 1.00 38.68 C +ATOM 437 NE ARG C 63 24.768 33.115 -3.058 1.00 40.32 N +ATOM 438 CZ ARG C 63 24.478 33.883 -2.013 1.00 38.19 C +ATOM 439 NH1 ARG C 63 24.218 33.329 -0.837 1.00 36.93 N +ATOM 440 NH2 ARG C 63 24.449 35.204 -2.146 1.00 38.77 N +ATOM 441 N ALA C 64 25.702 29.569 -5.764 1.00 26.13 N +ATOM 442 CA ALA C 64 27.137 29.751 -5.938 1.00 26.11 C +ATOM 443 C ALA C 64 27.861 28.439 -6.218 1.00 26.80 C +ATOM 444 O ALA C 64 27.352 27.357 -5.911 1.00 29.36 O +ATOM 445 CB ALA C 64 27.729 30.404 -4.686 1.00 22.80 C +ATOM 446 N ASN C 65 29.044 28.540 -6.817 1.00 25.33 N +ATOM 447 CA ASN C 65 29.867 27.365 -7.078 1.00 22.60 C +ATOM 448 C ASN C 65 31.341 27.756 -7.049 1.00 24.31 C +ATOM 449 O ASN C 65 31.683 28.934 -6.874 1.00 25.27 O +ATOM 450 CB ASN C 65 29.478 26.659 -8.406 1.00 22.59 C +ATOM 451 CG ASN C 65 30.019 27.341 -9.664 1.00 22.77 C +ATOM 452 OD1 ASN C 65 30.273 26.672 -10.662 1.00 25.06 O +ATOM 453 ND2 ASN C 65 30.166 28.656 -9.635 1.00 24.66 N +ATOM 454 N LEU C 66 32.219 26.771 -7.178 1.00 23.35 N +ATOM 455 CA LEU C 66 33.647 27.041 -7.153 1.00 24.46 C +ATOM 456 C LEU C 66 34.340 26.443 -8.366 1.00 23.88 C +ATOM 457 O LEU C 66 34.134 25.273 -8.683 1.00 25.39 O +ATOM 458 CB LEU C 66 34.258 26.475 -5.864 1.00 22.38 C +ATOM 459 CG LEU C 66 35.760 26.678 -5.653 1.00 22.73 C +ATOM 460 CD1 LEU C 66 36.078 26.707 -4.166 1.00 24.84 C +ATOM 461 CD2 LEU C 66 36.530 25.588 -6.359 1.00 21.44 C +ATOM 462 N THR C 67 35.142 27.252 -9.052 1.00 23.52 N +ATOM 463 CA THR C 67 35.901 26.777 -10.210 1.00 23.23 C +ATOM 464 C THR C 67 37.370 26.589 -9.777 1.00 24.53 C +ATOM 465 O THR C 67 38.022 27.524 -9.296 1.00 19.80 O +ATOM 466 CB THR C 67 35.809 27.770 -11.396 1.00 23.25 C +ATOM 467 OG1 THR C 67 34.450 27.870 -11.836 1.00 22.39 O +ATOM 468 CG2 THR C 67 36.647 27.287 -12.553 1.00 20.74 C +ATOM 469 N ASN C 68 37.881 25.370 -9.935 1.00 27.32 N +ATOM 470 CA ASN C 68 39.253 25.050 -9.523 1.00 31.14 C +ATOM 471 C ASN C 68 40.179 24.934 -10.731 1.00 30.15 C +ATOM 472 O ASN C 68 39.978 24.095 -11.609 1.00 29.56 O +ATOM 473 CB ASN C 68 39.264 23.743 -8.711 1.00 32.25 C +ATOM 474 CG ASN C 68 40.542 23.551 -7.903 1.00 31.51 C +ATOM 475 OD1 ASN C 68 40.734 22.505 -7.283 1.00 36.04 O +ATOM 476 ND2 ASN C 68 41.413 24.559 -7.900 1.00 31.81 N +ATOM 477 N PHE C 69 41.192 25.793 -10.757 1.00 30.78 N +ATOM 478 CA PHE C 69 42.161 25.844 -11.846 1.00 30.79 C +ATOM 479 C PHE C 69 43.573 25.677 -11.277 1.00 34.82 C +ATOM 480 O PHE C 69 44.346 26.637 -11.229 1.00 32.78 O +ATOM 481 CB PHE C 69 42.074 27.205 -12.547 1.00 28.16 C +ATOM 482 CG PHE C 69 40.813 27.425 -13.343 1.00 25.36 C +ATOM 483 CD1 PHE C 69 40.219 28.690 -13.377 1.00 25.48 C +ATOM 484 CD2 PHE C 69 40.283 26.416 -14.146 1.00 25.23 C +ATOM 485 CE1 PHE C 69 39.130 28.950 -14.202 1.00 22.35 C +ATOM 486 CE2 PHE C 69 39.194 26.664 -14.975 1.00 23.01 C +ATOM 487 CZ PHE C 69 38.619 27.935 -15.005 1.00 25.91 C +ATOM 488 N PRO C 70 43.925 24.457 -10.833 1.00 38.34 N +ATOM 489 CA PRO C 70 45.245 24.159 -10.261 1.00 39.78 C +ATOM 490 C PRO C 70 46.404 24.562 -11.170 1.00 41.68 C +ATOM 491 O PRO C 70 47.336 25.253 -10.744 1.00 41.40 O +ATOM 492 CB PRO C 70 45.192 22.650 -10.051 1.00 40.55 C +ATOM 493 CG PRO C 70 43.742 22.399 -9.790 1.00 41.20 C +ATOM 494 CD PRO C 70 43.075 23.255 -10.833 1.00 40.29 C +ATOM 495 N GLU C 71 46.328 24.118 -12.422 1.00 42.40 N +ATOM 496 CA GLU C 71 47.352 24.392 -13.426 1.00 44.09 C +ATOM 497 C GLU C 71 47.784 25.854 -13.447 1.00 45.11 C +ATOM 498 O GLU C 71 48.905 26.177 -13.837 1.00 46.81 O +ATOM 499 CB GLU C 71 46.839 23.987 -14.801 1.00 42.14 C +ATOM 500 N ASN C 72 46.886 26.731 -13.014 1.00 45.80 N +ATOM 501 CA ASN C 72 47.130 28.167 -12.995 1.00 42.30 C +ATOM 502 C ASN C 72 47.335 28.712 -11.580 1.00 40.23 C +ATOM 503 O ASN C 72 47.644 29.887 -11.399 1.00 39.90 O +ATOM 504 CB ASN C 72 45.947 28.862 -13.675 1.00 46.28 C +ATOM 505 CG ASN C 72 46.031 30.363 -13.612 1.00 48.52 C +ATOM 506 OD1 ASN C 72 47.084 30.949 -13.861 1.00 54.64 O +ATOM 507 ND2 ASN C 72 44.913 31.001 -13.295 1.00 47.28 N +ATOM 508 N GLY C 73 47.173 27.854 -10.578 1.00 36.57 N +ATOM 509 CA GLY C 73 47.339 28.297 -9.206 1.00 34.48 C +ATOM 510 C GLY C 73 46.225 29.246 -8.803 1.00 32.09 C +ATOM 511 O GLY C 73 46.397 30.138 -7.981 1.00 31.22 O +ATOM 512 N THR C 74 45.063 29.066 -9.403 1.00 30.81 N +ATOM 513 CA THR C 74 43.941 29.919 -9.072 1.00 30.68 C +ATOM 514 C THR C 74 42.649 29.135 -8.928 1.00 29.08 C +ATOM 515 O THR C 74 42.508 28.027 -9.445 1.00 28.94 O +ATOM 516 CB THR C 74 43.716 30.951 -10.169 1.00 30.68 C +ATOM 517 OG1 THR C 74 43.252 30.292 -11.358 1.00 28.41 O +ATOM 518 CG2 THR C 74 45.010 31.659 -10.477 1.00 32.15 C +ATOM 519 N PHE C 75 41.710 29.709 -8.195 1.00 26.79 N +ATOM 520 CA PHE C 75 40.394 29.114 -8.061 1.00 24.10 C +ATOM 521 C PHE C 75 39.416 30.276 -7.995 1.00 26.62 C +ATOM 522 O PHE C 75 39.744 31.355 -7.478 1.00 20.58 O +ATOM 523 CB PHE C 75 40.281 28.167 -6.845 1.00 23.04 C +ATOM 524 CG PHE C 75 40.369 28.830 -5.496 1.00 20.75 C +ATOM 525 CD1 PHE C 75 39.214 29.075 -4.753 1.00 23.80 C +ATOM 526 CD2 PHE C 75 41.605 29.070 -4.902 1.00 21.00 C +ATOM 527 CE1 PHE C 75 39.289 29.535 -3.434 1.00 21.43 C +ATOM 528 CE2 PHE C 75 41.694 29.531 -3.581 1.00 19.69 C +ATOM 529 CZ PHE C 75 40.534 29.759 -2.847 1.00 20.75 C +ATOM 530 N VAL C 76 38.233 30.069 -8.571 1.00 24.43 N +ATOM 531 CA VAL C 76 37.209 31.104 -8.622 1.00 22.63 C +ATOM 532 C VAL C 76 35.920 30.716 -7.917 1.00 24.49 C +ATOM 533 O VAL C 76 35.395 29.608 -8.095 1.00 21.94 O +ATOM 534 CB VAL C 76 36.808 31.460 -10.092 1.00 23.43 C +ATOM 535 CG1 VAL C 76 35.975 32.747 -10.112 1.00 16.18 C +ATOM 536 CG2 VAL C 76 38.047 31.574 -10.974 1.00 21.63 C +ATOM 537 N VAL C 77 35.414 31.643 -7.112 1.00 22.23 N +ATOM 538 CA VAL C 77 34.150 31.443 -6.426 1.00 22.70 C +ATOM 539 C VAL C 77 33.135 32.357 -7.120 1.00 22.25 C +ATOM 540 O VAL C 77 33.316 33.575 -7.184 1.00 23.76 O +ATOM 541 CB VAL C 77 34.219 31.813 -4.923 1.00 21.24 C +ATOM 542 CG1 VAL C 77 32.829 31.731 -4.314 1.00 17.20 C +ATOM 543 CG2 VAL C 77 35.147 30.853 -4.191 1.00 21.52 C +ATOM 544 N ASN C 78 32.088 31.761 -7.674 1.00 19.31 N +ATOM 545 CA ASN C 78 31.044 32.527 -8.341 1.00 22.87 C +ATOM 546 C ASN C 78 29.853 32.553 -7.385 1.00 24.94 C +ATOM 547 O ASN C 78 29.411 31.509 -6.912 1.00 24.51 O +ATOM 548 CB ASN C 78 30.604 31.856 -9.646 1.00 21.87 C +ATOM 549 CG ASN C 78 31.754 31.590 -10.592 1.00 21.58 C +ATOM 550 OD1 ASN C 78 31.927 30.463 -11.069 1.00 21.56 O +ATOM 551 ND2 ASN C 78 32.537 32.622 -10.886 1.00 17.64 N +ATOM 552 N ILE C 79 29.338 33.748 -7.111 1.00 25.36 N +ATOM 553 CA ILE C 79 28.209 33.931 -6.208 1.00 24.51 C +ATOM 554 C ILE C 79 27.105 34.661 -6.955 1.00 23.73 C +ATOM 555 O ILE C 79 27.295 35.791 -7.386 1.00 22.83 O +ATOM 556 CB ILE C 79 28.618 34.797 -5.000 1.00 26.34 C +ATOM 557 CG1 ILE C 79 29.791 34.143 -4.271 1.00 25.78 C +ATOM 558 CG2 ILE C 79 27.436 34.992 -4.066 1.00 26.82 C +ATOM 559 CD1 ILE C 79 30.460 35.051 -3.287 1.00 18.95 C +ATOM 560 N ALA C 80 25.957 34.003 -7.098 1.00 23.26 N +ATOM 561 CA ALA C 80 24.818 34.568 -7.809 1.00 19.85 C +ATOM 562 C ALA C 80 23.747 35.138 -6.882 1.00 22.00 C +ATOM 563 O ALA C 80 23.708 34.829 -5.682 1.00 18.50 O +ATOM 564 CB ALA C 80 24.203 33.507 -8.713 1.00 18.67 C +ATOM 565 N GLN C 81 22.882 35.973 -7.462 1.00 21.80 N +ATOM 566 CA GLN C 81 21.781 36.607 -6.745 1.00 24.78 C +ATOM 567 C GLN C 81 22.259 37.257 -5.438 1.00 25.02 C +ATOM 568 O GLN C 81 21.757 36.965 -4.350 1.00 21.71 O +ATOM 569 CB GLN C 81 20.690 35.561 -6.474 1.00 31.20 C +ATOM 570 CG GLN C 81 19.366 36.116 -5.949 1.00 40.41 C +ATOM 571 CD GLN C 81 18.609 36.954 -6.972 1.00 42.62 C +ATOM 572 OE1 GLN C 81 19.063 38.024 -7.382 1.00 43.23 O +ATOM 573 NE2 GLN C 81 17.444 36.465 -7.388 1.00 45.09 N +ATOM 574 N LEU C 82 23.242 38.141 -5.555 1.00 25.95 N +ATOM 575 CA LEU C 82 23.780 38.817 -4.385 1.00 30.90 C +ATOM 576 C LEU C 82 22.701 39.508 -3.563 1.00 33.47 C +ATOM 577 O LEU C 82 21.726 40.029 -4.100 1.00 32.75 O +ATOM 578 CB LEU C 82 24.840 39.828 -4.802 1.00 26.96 C +ATOM 579 CG LEU C 82 26.028 39.147 -5.475 1.00 30.20 C +ATOM 580 CD1 LEU C 82 27.004 40.210 -5.956 1.00 31.58 C +ATOM 581 CD2 LEU C 82 26.703 38.182 -4.497 1.00 26.01 C +ATOM 582 N SER C 83 22.892 39.488 -2.249 1.00 36.31 N +ATOM 583 CA SER C 83 21.966 40.096 -1.310 1.00 37.42 C +ATOM 584 C SER C 83 22.732 40.897 -0.265 1.00 38.09 C +ATOM 585 O SER C 83 23.910 40.638 -0.005 1.00 36.49 O +ATOM 586 CB SER C 83 21.146 39.015 -0.615 1.00 39.49 C +ATOM 587 OG SER C 83 20.510 39.547 0.529 1.00 43.00 O +ATOM 588 N GLN C 84 22.060 41.870 0.338 1.00 38.93 N +ATOM 589 CA GLN C 84 22.698 42.696 1.349 1.00 39.16 C +ATOM 590 C GLN C 84 23.138 41.839 2.516 1.00 36.86 C +ATOM 591 O GLN C 84 23.974 42.252 3.317 1.00 39.80 O +ATOM 592 CB GLN C 84 21.743 43.793 1.813 1.00 41.17 C +ATOM 593 CG GLN C 84 21.444 44.799 0.719 1.00 45.93 C +ATOM 594 CD GLN C 84 20.586 45.945 1.196 1.00 51.23 C +ATOM 595 OE1 GLN C 84 20.886 46.579 2.213 1.00 55.32 O +ATOM 596 NE2 GLN C 84 19.514 46.229 0.461 1.00 51.75 N +ATOM 597 N ASP C 85 22.574 40.637 2.596 1.00 33.90 N +ATOM 598 CA ASP C 85 22.909 39.692 3.654 1.00 31.76 C +ATOM 599 C ASP C 85 24.313 39.149 3.413 1.00 28.91 C +ATOM 600 O ASP C 85 24.974 38.659 4.331 1.00 28.14 O +ATOM 601 CB ASP C 85 21.907 38.534 3.656 1.00 37.21 C +ATOM 602 CG ASP C 85 20.501 38.968 4.050 1.00 41.86 C +ATOM 603 OD1 ASP C 85 20.129 40.137 3.793 1.00 45.50 O +ATOM 604 OD2 ASP C 85 19.757 38.125 4.602 1.00 43.72 O +ATOM 605 N ASP C 86 24.753 39.232 2.163 1.00 24.17 N +ATOM 606 CA ASP C 86 26.074 38.764 1.757 1.00 26.45 C +ATOM 607 C ASP C 86 27.210 39.706 2.152 1.00 25.08 C +ATOM 608 O ASP C 86 28.375 39.316 2.131 1.00 20.67 O +ATOM 609 CB ASP C 86 26.129 38.564 0.241 1.00 25.41 C +ATOM 610 CG ASP C 86 25.264 37.425 -0.227 1.00 27.53 C +ATOM 611 OD1 ASP C 86 25.367 36.324 0.351 1.00 30.45 O +ATOM 612 OD2 ASP C 86 24.485 37.625 -1.178 1.00 28.29 O +ATOM 613 N SER C 87 26.879 40.949 2.491 1.00 25.74 N +ATOM 614 CA SER C 87 27.903 41.914 2.897 1.00 28.56 C +ATOM 615 C SER C 87 28.627 41.363 4.124 1.00 27.35 C +ATOM 616 O SER C 87 27.989 40.949 5.087 1.00 32.16 O +ATOM 617 CB SER C 87 27.278 43.275 3.261 1.00 27.71 C +ATOM 618 OG SER C 87 26.844 44.002 2.121 1.00 29.18 O +ATOM 619 N GLY C 88 29.953 41.355 4.094 1.00 26.08 N +ATOM 620 CA GLY C 88 30.692 40.843 5.231 1.00 24.44 C +ATOM 621 C GLY C 88 32.145 40.528 4.934 1.00 25.14 C +ATOM 622 O GLY C 88 32.674 40.900 3.887 1.00 24.96 O +ATOM 623 N ARG C 89 32.791 39.842 5.872 1.00 25.90 N +ATOM 624 CA ARG C 89 34.188 39.458 5.735 1.00 25.46 C +ATOM 625 C ARG C 89 34.287 37.972 5.444 1.00 26.09 C +ATOM 626 O ARG C 89 33.643 37.156 6.104 1.00 28.49 O +ATOM 627 CB ARG C 89 34.956 39.735 7.021 1.00 29.60 C +ATOM 628 CG ARG C 89 35.076 41.185 7.416 1.00 39.50 C +ATOM 629 CD ARG C 89 35.833 41.283 8.735 1.00 44.57 C +ATOM 630 NE ARG C 89 35.776 42.624 9.307 1.00 55.62 N +ATOM 631 CZ ARG C 89 36.274 42.955 10.496 1.00 59.85 C +ATOM 632 NH1 ARG C 89 36.874 42.040 11.250 1.00 62.56 N +ATOM 633 NH2 ARG C 89 36.162 44.203 10.939 1.00 60.39 N +ATOM 634 N TYR C 90 35.111 37.622 4.467 1.00 26.50 N +ATOM 635 CA TYR C 90 35.298 36.232 4.081 1.00 25.91 C +ATOM 636 C TYR C 90 36.779 35.945 3.923 1.00 25.64 C +ATOM 637 O TYR C 90 37.615 36.831 4.073 1.00 26.31 O +ATOM 638 CB TYR C 90 34.603 35.935 2.741 1.00 25.54 C +ATOM 639 CG TYR C 90 33.108 36.194 2.687 1.00 21.85 C +ATOM 640 CD1 TYR C 90 32.600 37.496 2.626 1.00 20.79 C +ATOM 641 CD2 TYR C 90 32.204 35.136 2.672 1.00 19.62 C +ATOM 642 CE1 TYR C 90 31.226 37.737 2.549 1.00 17.15 C +ATOM 643 CE2 TYR C 90 30.831 35.368 2.595 1.00 20.12 C +ATOM 644 CZ TYR C 90 30.353 36.667 2.535 1.00 18.21 C +ATOM 645 OH TYR C 90 29.002 36.883 2.478 1.00 21.38 O +ATOM 646 N LYS C 91 37.088 34.692 3.613 1.00 27.01 N +ATOM 647 CA LYS C 91 38.459 34.262 3.406 1.00 26.92 C +ATOM 648 C LYS C 91 38.475 33.152 2.364 1.00 29.50 C +ATOM 649 O LYS C 91 37.571 32.310 2.316 1.00 24.32 O +ATOM 650 CB LYS C 91 39.063 33.692 4.690 1.00 30.37 C +ATOM 651 CG LYS C 91 39.183 34.619 5.887 1.00 33.28 C +ATOM 652 CD LYS C 91 39.822 33.841 7.042 1.00 35.97 C +ATOM 653 CE LYS C 91 40.172 34.713 8.240 1.00 41.02 C +ATOM 654 NZ LYS C 91 40.999 33.960 9.237 1.00 40.81 N +ATOM 655 N CYS C 92 39.497 33.166 1.521 1.00 27.95 N +ATOM 656 CA CYS C 92 39.670 32.115 0.533 1.00 32.29 C +ATOM 657 C CYS C 92 41.006 31.527 0.962 1.00 32.46 C +ATOM 658 O CYS C 92 41.915 32.268 1.330 1.00 34.55 O +ATOM 659 CB CYS C 92 39.759 32.683 -0.894 1.00 29.57 C +ATOM 660 SG CYS C 92 41.182 33.774 -1.215 1.00 34.64 S +ATOM 661 N GLY C 93 41.128 30.206 0.952 1.00 32.36 N +ATOM 662 CA GLY C 93 42.385 29.610 1.356 1.00 29.69 C +ATOM 663 C GLY C 93 42.551 28.176 0.912 1.00 30.85 C +ATOM 664 O GLY C 93 41.713 27.631 0.192 1.00 27.60 O +ATOM 665 N LEU C 94 43.653 27.569 1.338 1.00 35.12 N +ATOM 666 CA LEU C 94 43.937 26.172 1.015 1.00 40.38 C +ATOM 667 C LEU C 94 44.083 25.352 2.306 1.00 39.79 C +ATOM 668 O LEU C 94 44.484 25.880 3.341 1.00 40.00 O +ATOM 669 CB LEU C 94 45.208 26.055 0.167 1.00 41.63 C +ATOM 670 CG LEU C 94 45.253 26.854 -1.141 1.00 41.99 C +ATOM 671 CD1 LEU C 94 46.271 26.199 -2.069 1.00 42.86 C +ATOM 672 CD2 LEU C 94 43.886 26.894 -1.806 1.00 40.08 C +ATOM 673 N GLY C 95 43.725 24.072 2.248 1.00 40.18 N +ATOM 674 CA GLY C 95 43.822 23.214 3.416 1.00 42.25 C +ATOM 675 C GLY C 95 42.632 23.371 4.342 1.00 45.39 C +ATOM 676 O GLY C 95 41.486 23.386 3.892 1.00 41.62 O +ATOM 677 N ILE C 96 42.900 23.479 5.641 1.00 49.57 N +ATOM 678 CA ILE C 96 41.840 23.656 6.632 1.00 52.62 C +ATOM 679 C ILE C 96 41.697 25.141 6.989 1.00 55.52 C +ATOM 680 O ILE C 96 42.671 25.904 6.959 1.00 53.73 O +ATOM 681 CB ILE C 96 42.127 22.837 7.910 1.00 51.65 C +ATOM 682 CG1 ILE C 96 42.091 21.346 7.583 1.00 50.81 C +ATOM 683 CG2 ILE C 96 41.097 23.147 8.978 1.00 53.53 C +ATOM 684 CD1 ILE C 96 42.263 20.460 8.792 1.00 52.69 C +ATOM 685 N ASN C 97 40.470 25.538 7.319 1.00 58.29 N +ATOM 686 CA ASN C 97 40.149 26.923 7.657 1.00 62.39 C +ATOM 687 C ASN C 97 41.006 27.534 8.774 1.00 65.29 C +ATOM 688 O ASN C 97 41.876 28.373 8.519 1.00 66.12 O +ATOM 689 CB ASN C 97 38.661 27.029 8.026 1.00 60.93 C +ATOM 690 CG ASN C 97 37.740 26.585 6.893 1.00 60.58 C +ATOM 691 OD1 ASN C 97 37.878 25.483 6.358 1.00 58.93 O +ATOM 692 ND2 ASN C 97 36.788 27.439 6.534 1.00 55.48 N +ATOM 693 N SER C 98 40.754 27.114 10.009 1.00 68.40 N +ATOM 694 CA SER C 98 41.483 27.626 11.168 1.00 69.20 C +ATOM 695 C SER C 98 43.003 27.597 11.020 1.00 68.92 C +ATOM 696 O SER C 98 43.707 28.296 11.753 1.00 70.62 O +ATOM 697 CB SER C 98 41.072 26.855 12.421 1.00 69.54 C +ATOM 698 N ARG C 99 43.509 26.793 10.083 1.00 66.91 N +ATOM 699 CA ARG C 99 44.953 26.692 9.863 1.00 62.22 C +ATOM 700 C ARG C 99 45.526 28.057 9.483 1.00 59.26 C +ATOM 701 O ARG C 99 46.734 28.208 9.307 1.00 57.65 O +ATOM 702 CB ARG C 99 45.254 25.666 8.770 1.00 61.54 C +ATOM 703 N GLY C 100 44.642 29.043 9.355 1.00 55.55 N +ATOM 704 CA GLY C 100 45.056 30.393 9.026 1.00 53.73 C +ATOM 705 C GLY C 100 45.789 30.559 7.713 1.00 53.46 C +ATOM 706 O GLY C 100 46.419 31.592 7.483 1.00 54.42 O +ATOM 707 N LEU C 101 45.708 29.552 6.848 1.00 53.29 N +ATOM 708 CA LEU C 101 46.366 29.602 5.546 1.00 51.25 C +ATOM 709 C LEU C 101 45.376 30.136 4.500 1.00 51.57 C +ATOM 710 O LEU C 101 44.801 29.368 3.725 1.00 48.67 O +ATOM 711 CB LEU C 101 46.851 28.200 5.172 1.00 50.77 C +ATOM 712 CG LEU C 101 47.685 28.029 3.902 1.00 52.18 C +ATOM 713 CD1 LEU C 101 48.792 29.069 3.858 1.00 49.44 C +ATOM 714 CD2 LEU C 101 48.253 26.607 3.864 1.00 52.32 C +ATOM 715 N SER C 102 45.188 31.458 4.483 1.00 50.23 N +ATOM 716 CA SER C 102 44.242 32.084 3.558 1.00 49.23 C +ATOM 717 C SER C 102 44.458 33.588 3.284 1.00 46.52 C +ATOM 718 O SER C 102 45.519 34.139 3.576 1.00 45.78 O +ATOM 719 CB SER C 102 42.823 31.856 4.083 1.00 49.19 C +ATOM 720 OG SER C 102 42.729 32.259 5.437 1.00 47.60 O +ATOM 721 N PHE C 103 43.440 34.223 2.700 1.00 43.20 N +ATOM 722 CA PHE C 103 43.443 35.655 2.367 1.00 38.61 C +ATOM 723 C PHE C 103 42.084 36.253 2.754 1.00 36.23 C +ATOM 724 O PHE C 103 41.037 35.630 2.547 1.00 31.36 O +ATOM 725 CB PHE C 103 43.672 35.858 0.865 1.00 38.24 C +ATOM 726 CG PHE C 103 43.810 37.300 0.456 1.00 37.85 C +ATOM 727 CD1 PHE C 103 44.987 38.000 0.701 1.00 38.06 C +ATOM 728 CD2 PHE C 103 42.766 37.958 -0.193 1.00 39.29 C +ATOM 729 CE1 PHE C 103 45.124 39.336 0.301 1.00 38.74 C +ATOM 730 CE2 PHE C 103 42.895 39.298 -0.596 1.00 35.47 C +ATOM 731 CZ PHE C 103 44.074 39.982 -0.350 1.00 38.48 C +ATOM 732 N ASP C 104 42.096 37.460 3.309 1.00 34.33 N +ATOM 733 CA ASP C 104 40.850 38.096 3.729 1.00 33.96 C +ATOM 734 C ASP C 104 40.207 38.960 2.664 1.00 32.12 C +ATOM 735 O ASP C 104 40.835 39.870 2.126 1.00 35.69 O +ATOM 736 CB ASP C 104 41.071 38.927 4.996 1.00 34.91 C +ATOM 737 CG ASP C 104 41.100 38.074 6.247 1.00 39.44 C +ATOM 738 OD1 ASP C 104 42.046 37.272 6.416 1.00 42.61 O +ATOM 739 OD2 ASP C 104 40.163 38.194 7.058 1.00 44.17 O +ATOM 740 N VAL C 105 38.943 38.670 2.370 1.00 29.02 N +ATOM 741 CA VAL C 105 38.206 39.417 1.373 1.00 30.36 C +ATOM 742 C VAL C 105 36.972 40.050 1.994 1.00 31.66 C +ATOM 743 O VAL C 105 36.190 39.376 2.659 1.00 35.85 O +ATOM 744 CB VAL C 105 37.770 38.506 0.198 1.00 31.04 C +ATOM 745 CG1 VAL C 105 36.960 39.312 -0.823 1.00 29.80 C +ATOM 746 CG2 VAL C 105 38.998 37.892 -0.460 1.00 25.86 C +ATOM 747 N SER C 106 36.812 41.355 1.792 1.00 31.43 N +ATOM 748 CA SER C 106 35.647 42.069 2.304 1.00 31.10 C +ATOM 749 C SER C 106 34.663 42.274 1.167 1.00 28.88 C +ATOM 750 O SER C 106 35.006 42.857 0.136 1.00 26.80 O +ATOM 751 CB SER C 106 36.034 43.425 2.898 1.00 31.99 C +ATOM 752 OG SER C 106 36.421 43.285 4.255 1.00 38.24 O +ATOM 753 N LEU C 107 33.445 41.777 1.362 1.00 26.99 N +ATOM 754 CA LEU C 107 32.395 41.892 0.358 1.00 26.85 C +ATOM 755 C LEU C 107 31.324 42.886 0.782 1.00 27.17 C +ATOM 756 O LEU C 107 30.762 42.773 1.869 1.00 28.32 O +ATOM 757 CB LEU C 107 31.737 40.529 0.107 1.00 25.74 C +ATOM 758 CG LEU C 107 30.579 40.496 -0.902 1.00 25.22 C +ATOM 759 CD1 LEU C 107 31.040 40.979 -2.277 1.00 26.66 C +ATOM 760 CD2 LEU C 107 30.046 39.083 -0.994 1.00 23.14 C +ATOM 761 N GLU C 108 31.049 43.856 -0.085 1.00 24.67 N +ATOM 762 CA GLU C 108 30.036 44.874 0.173 1.00 27.04 C +ATOM 763 C GLU C 108 28.971 44.778 -0.907 1.00 26.60 C +ATOM 764 O GLU C 108 29.265 44.967 -2.091 1.00 27.41 O +ATOM 765 CB GLU C 108 30.665 46.277 0.142 1.00 29.92 C +ATOM 766 CG GLU C 108 29.676 47.445 0.215 1.00 30.84 C +ATOM 767 CD GLU C 108 28.935 47.500 1.537 1.00 35.60 C +ATOM 768 OE1 GLU C 108 29.600 47.334 2.585 1.00 39.24 O +ATOM 769 OE2 GLU C 108 27.698 47.715 1.526 1.00 32.40 O +ATOM 770 N VAL C 109 27.740 44.473 -0.510 1.00 25.70 N +ATOM 771 CA VAL C 109 26.654 44.376 -1.479 1.00 26.02 C +ATOM 772 C VAL C 109 25.796 45.612 -1.324 1.00 26.61 C +ATOM 773 O VAL C 109 25.118 45.772 -0.308 1.00 29.32 O +ATOM 774 CB VAL C 109 25.775 43.126 -1.243 1.00 21.97 C +ATOM 775 CG1 VAL C 109 24.665 43.072 -2.286 1.00 17.94 C +ATOM 776 CG2 VAL C 109 26.634 41.869 -1.305 1.00 21.78 C +ATOM 777 N LEU C 110 25.840 46.489 -2.321 1.00 25.93 N +ATOM 778 CA LEU C 110 25.063 47.720 -2.270 1.00 31.14 C +ATOM 779 C LEU C 110 23.595 47.526 -2.615 1.00 33.92 C +ATOM 780 O LEU C 110 23.211 46.586 -3.312 1.00 33.75 O +ATOM 781 CB LEU C 110 25.663 48.795 -3.189 1.00 28.33 C +ATOM 782 CG LEU C 110 27.006 49.430 -2.812 1.00 27.08 C +ATOM 783 CD1 LEU C 110 27.301 50.526 -3.811 1.00 24.55 C +ATOM 784 CD2 LEU C 110 26.977 50.006 -1.393 1.00 21.49 C +ATOM 785 N GLU C 111 22.782 48.438 -2.100 1.00 40.02 N +ATOM 786 CA GLU C 111 21.349 48.430 -2.317 1.00 46.20 C +ATOM 787 C GLU C 111 21.070 48.775 -3.776 1.00 48.86 C +ATOM 788 O GLU C 111 21.252 49.916 -4.208 1.00 46.97 O +ATOM 789 CB GLU C 111 20.691 49.445 -1.380 1.00 49.82 C +ATOM 790 CG GLU C 111 20.891 49.132 0.109 1.00 57.58 C +ATOM 791 CD GLU C 111 22.364 48.988 0.519 1.00 60.44 C +ATOM 792 OE1 GLU C 111 23.116 49.987 0.460 1.00 58.26 O +ATOM 793 OE2 GLU C 111 22.772 47.868 0.902 1.00 64.46 O +ATOM 794 N HIS C 112 20.653 47.754 -4.521 1.00 52.61 N +ATOM 795 CA HIS C 112 20.323 47.827 -5.947 1.00 55.48 C +ATOM 796 C HIS C 112 19.839 49.183 -6.459 1.00 56.71 C +ATOM 797 O HIS C 112 20.695 50.061 -6.706 1.00 57.33 O +ATOM 798 CB HIS C 112 19.279 46.752 -6.247 1.00 55.78 C +ATOM 799 CG HIS C 112 18.313 46.539 -5.122 1.00 58.35 C +ATOM 800 ND1 HIS C 112 18.719 46.420 -3.809 1.00 56.79 N +ATOM 801 CD2 HIS C 112 16.962 46.449 -5.107 1.00 59.18 C +ATOM 802 CE1 HIS C 112 17.661 46.269 -3.034 1.00 58.48 C +ATOM 803 NE2 HIS C 112 16.582 46.284 -3.797 1.00 59.54 N Added: SwiftApps/modFTdock/input/indata/1xed-4.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1xed-4.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1xed-4.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,804 @@ +ATOM 1 N PRO D 3 11.157 7.311 9.657 1.00 67.05 N +ATOM 2 CA PRO D 3 11.757 8.665 9.583 1.00 67.99 C +ATOM 3 C PRO D 3 12.938 8.667 8.614 1.00 66.92 C +ATOM 4 O PRO D 3 12.770 8.374 7.429 1.00 66.84 O +ATOM 5 CB PRO D 3 12.204 9.028 10.995 1.00 68.07 C +ATOM 6 CG PRO D 3 11.272 8.163 11.840 1.00 67.22 C +ATOM 7 CD PRO D 3 11.149 6.847 11.055 1.00 66.51 C +ATOM 8 N ILE D 4 14.124 9.006 9.118 1.00 65.38 N +ATOM 9 CA ILE D 4 15.328 9.019 8.294 1.00 64.07 C +ATOM 10 C ILE D 4 15.785 7.587 8.081 1.00 62.16 C +ATOM 11 O ILE D 4 16.153 6.905 9.034 1.00 63.26 O +ATOM 12 CB ILE D 4 16.485 9.796 8.959 1.00 64.55 C +ATOM 13 CG1 ILE D 4 16.302 11.295 8.745 1.00 64.89 C +ATOM 14 CG2 ILE D 4 17.815 9.353 8.373 1.00 63.92 C +ATOM 15 CD1 ILE D 4 17.450 12.113 9.271 1.00 66.34 C +ATOM 16 N PHE D 5 15.766 7.145 6.829 1.00 58.66 N +ATOM 17 CA PHE D 5 16.164 5.788 6.475 1.00 55.66 C +ATOM 18 C PHE D 5 17.557 5.766 5.851 1.00 52.93 C +ATOM 19 O PHE D 5 17.943 6.702 5.155 1.00 53.89 O +ATOM 20 CB PHE D 5 15.135 5.202 5.502 1.00 57.30 C +ATOM 21 CG PHE D 5 15.540 3.886 4.896 1.00 59.63 C +ATOM 22 CD1 PHE D 5 15.986 2.836 5.699 1.00 59.30 C +ATOM 23 CD2 PHE D 5 15.446 3.688 3.516 1.00 59.25 C +ATOM 24 CE1 PHE D 5 16.332 1.606 5.135 1.00 59.61 C +ATOM 25 CE2 PHE D 5 15.788 2.461 2.941 1.00 58.97 C +ATOM 26 CZ PHE D 5 16.231 1.418 3.751 1.00 59.26 C +ATOM 27 N GLY D 6 18.313 4.701 6.105 1.00 47.97 N +ATOM 28 CA GLY D 6 19.645 4.603 5.538 1.00 44.10 C +ATOM 29 C GLY D 6 20.203 3.196 5.634 1.00 41.44 C +ATOM 30 O GLY D 6 19.441 2.251 5.845 1.00 41.12 O +ATOM 31 N PRO D 7 21.528 3.018 5.478 1.00 39.32 N +ATOM 32 CA PRO D 7 22.162 1.697 5.553 1.00 38.50 C +ATOM 33 C PRO D 7 22.444 1.336 7.004 1.00 36.85 C +ATOM 34 O PRO D 7 23.287 1.955 7.648 1.00 38.30 O +ATOM 35 CB PRO D 7 23.465 1.873 4.766 1.00 39.18 C +ATOM 36 CG PRO D 7 23.329 3.221 4.079 1.00 41.73 C +ATOM 37 CD PRO D 7 22.509 4.022 5.045 1.00 39.88 C +ATOM 38 N GLU D 8 21.741 0.338 7.519 1.00 34.79 N +ATOM 39 CA GLU D 8 21.935 -0.072 8.900 1.00 33.97 C +ATOM 40 C GLU D 8 23.378 -0.481 9.126 1.00 32.47 C +ATOM 41 O GLU D 8 23.932 -0.260 10.199 1.00 31.35 O +ATOM 42 CB GLU D 8 20.998 -1.229 9.247 1.00 37.42 C +ATOM 43 CG GLU D 8 21.156 -1.790 10.648 1.00 42.46 C +ATOM 44 CD GLU D 8 20.153 -2.899 10.926 1.00 46.34 C +ATOM 45 OE1 GLU D 8 18.944 -2.594 11.008 1.00 48.86 O +ATOM 46 OE2 GLU D 8 20.567 -4.074 11.045 1.00 45.34 O +ATOM 47 N GLU D 9 23.994 -1.067 8.109 1.00 32.83 N +ATOM 48 CA GLU D 9 25.378 -1.501 8.222 1.00 35.20 C +ATOM 49 C GLU D 9 26.102 -1.309 6.887 1.00 33.33 C +ATOM 50 O GLU D 9 25.539 -1.548 5.814 1.00 30.31 O +ATOM 51 CB GLU D 9 25.407 -2.969 8.663 1.00 38.87 C +ATOM 52 CG GLU D 9 24.588 -3.209 9.934 1.00 46.28 C +ATOM 53 CD GLU D 9 23.893 -4.555 9.946 1.00 49.54 C +ATOM 54 OE1 GLU D 9 23.587 -5.068 8.851 1.00 51.96 O +ATOM 55 OE2 GLU D 9 23.634 -5.089 11.046 1.00 50.48 O +ATOM 56 N VAL D 10 27.344 -0.846 6.963 1.00 31.02 N +ATOM 57 CA VAL D 10 28.148 -0.623 5.772 1.00 30.48 C +ATOM 58 C VAL D 10 29.540 -1.186 6.019 1.00 29.74 C +ATOM 59 O VAL D 10 30.168 -0.897 7.041 1.00 30.37 O +ATOM 60 CB VAL D 10 28.264 0.901 5.423 1.00 28.76 C +ATOM 61 CG1 VAL D 10 28.944 1.089 4.073 1.00 27.50 C +ATOM 62 CG2 VAL D 10 26.887 1.541 5.403 1.00 30.14 C +ATOM 63 N ASN D 11 30.018 -2.020 5.105 1.00 31.24 N +ATOM 64 CA ASN D 11 31.360 -2.547 5.271 1.00 31.49 C +ATOM 65 C ASN D 11 32.191 -2.160 4.079 1.00 29.79 C +ATOM 66 O ASN D 11 31.689 -2.021 2.972 1.00 33.92 O +ATOM 67 CB ASN D 11 31.382 -4.059 5.482 1.00 31.52 C +ATOM 68 CG ASN D 11 30.735 -4.802 4.375 1.00 27.27 C +ATOM 69 OD1 ASN D 11 29.535 -4.705 4.182 1.00 32.48 O +ATOM 70 ND2 ASN D 11 31.522 -5.565 3.635 1.00 30.45 N +ATOM 71 N SER D 12 33.470 -1.941 4.330 1.00 30.96 N +ATOM 72 CA SER D 12 34.392 -1.540 3.290 1.00 32.50 C +ATOM 73 C SER D 12 35.773 -2.078 3.626 1.00 32.58 C +ATOM 74 O SER D 12 35.954 -2.784 4.621 1.00 33.80 O +ATOM 75 CB SER D 12 34.428 -0.009 3.179 1.00 33.44 C +ATOM 76 OG SER D 12 35.193 0.410 2.061 1.00 36.03 O +ATOM 77 N VAL D 13 36.743 -1.767 2.776 1.00 29.74 N +ATOM 78 CA VAL D 13 38.099 -2.219 3.006 1.00 31.14 C +ATOM 79 C VAL D 13 39.015 -1.023 3.183 1.00 31.95 C +ATOM 80 O VAL D 13 38.743 0.060 2.661 1.00 29.16 O +ATOM 81 CB VAL D 13 38.611 -3.074 1.843 1.00 31.10 C +ATOM 82 CG1 VAL D 13 39.995 -3.619 2.177 1.00 31.45 C +ATOM 83 CG2 VAL D 13 37.647 -4.215 1.578 1.00 32.69 C +ATOM 84 N GLU D 14 40.089 -1.222 3.942 1.00 32.34 N +ATOM 85 CA GLU D 14 41.065 -0.169 4.193 1.00 37.05 C +ATOM 86 C GLU D 14 41.531 0.495 2.903 1.00 35.51 C +ATOM 87 O GLU D 14 41.864 -0.186 1.931 1.00 36.80 O +ATOM 88 CB GLU D 14 42.295 -0.737 4.893 1.00 39.77 C +ATOM 89 CG GLU D 14 42.061 -1.299 6.265 1.00 46.10 C +ATOM 90 CD GLU D 14 43.372 -1.627 6.954 1.00 49.64 C +ATOM 91 OE1 GLU D 14 44.101 -2.516 6.451 1.00 45.95 O +ATOM 92 OE2 GLU D 14 43.673 -0.983 7.990 1.00 51.30 O +ATOM 93 N GLY D 15 41.568 1.824 2.904 1.00 35.31 N +ATOM 94 CA GLY D 15 42.021 2.551 1.732 1.00 34.27 C +ATOM 95 C GLY D 15 40.926 2.894 0.745 1.00 35.19 C +ATOM 96 O GLY D 15 41.100 3.772 -0.101 1.00 37.65 O +ATOM 97 N ASN D 16 39.799 2.201 0.851 1.00 31.93 N +ATOM 98 CA ASN D 16 38.666 2.426 -0.039 1.00 28.13 C +ATOM 99 C ASN D 16 37.951 3.706 0.366 1.00 25.32 C +ATOM 100 O ASN D 16 38.317 4.355 1.342 1.00 23.63 O +ATOM 101 CB ASN D 16 37.673 1.249 0.059 1.00 28.60 C +ATOM 102 CG ASN D 16 37.955 0.119 -0.946 1.00 27.57 C +ATOM 103 OD1 ASN D 16 39.040 0.016 -1.518 1.00 28.32 O +ATOM 104 ND2 ASN D 16 36.963 -0.743 -1.146 1.00 29.44 N +ATOM 105 N SER D 17 36.950 4.078 -0.421 1.00 25.04 N +ATOM 106 CA SER D 17 36.102 5.226 -0.112 1.00 23.99 C +ATOM 107 C SER D 17 34.729 4.583 -0.018 1.00 23.23 C +ATOM 108 O SER D 17 34.542 3.438 -0.429 1.00 23.40 O +ATOM 109 CB SER D 17 36.077 6.266 -1.246 1.00 18.09 C +ATOM 110 OG SER D 17 37.240 7.078 -1.255 1.00 20.53 O +ATOM 111 N VAL D 18 33.771 5.300 0.540 1.00 25.40 N +ATOM 112 CA VAL D 18 32.421 4.779 0.604 1.00 27.01 C +ATOM 113 C VAL D 18 31.453 5.949 0.746 1.00 28.70 C +ATOM 114 O VAL D 18 31.798 7.005 1.301 1.00 28.01 O +ATOM 115 CB VAL D 18 32.251 3.746 1.756 1.00 27.59 C +ATOM 116 CG1 VAL D 18 32.571 4.380 3.097 1.00 25.37 C +ATOM 117 CG2 VAL D 18 30.833 3.179 1.731 1.00 26.30 C +ATOM 118 N SER D 19 30.259 5.778 0.193 1.00 29.32 N +ATOM 119 CA SER D 19 29.246 6.816 0.264 1.00 32.09 C +ATOM 120 C SER D 19 28.045 6.247 1.016 1.00 33.15 C +ATOM 121 O SER D 19 27.635 5.110 0.785 1.00 34.17 O +ATOM 122 CB SER D 19 28.852 7.277 -1.145 1.00 31.40 C +ATOM 123 OG SER D 19 28.086 6.301 -1.828 1.00 37.97 O +ATOM 124 N ILE D 20 27.509 7.035 1.939 1.00 31.91 N +ATOM 125 CA ILE D 20 26.372 6.622 2.743 1.00 30.00 C +ATOM 126 C ILE D 20 25.214 7.555 2.455 1.00 27.68 C +ATOM 127 O ILE D 20 25.329 8.766 2.608 1.00 27.74 O +ATOM 128 CB ILE D 20 26.743 6.641 4.228 1.00 32.46 C +ATOM 129 CG1 ILE D 20 28.042 5.845 4.413 1.00 32.57 C +ATOM 130 CG2 ILE D 20 25.608 6.051 5.064 1.00 32.73 C +ATOM 131 CD1 ILE D 20 28.629 5.911 5.787 1.00 35.52 C +ATOM 132 N THR D 21 24.101 6.976 2.018 1.00 28.13 N +ATOM 133 CA THR D 21 22.919 7.757 1.674 1.00 31.82 C +ATOM 134 C THR D 21 21.781 7.603 2.668 1.00 33.29 C +ATOM 135 O THR D 21 21.322 6.491 2.940 1.00 31.88 O +ATOM 136 CB THR D 21 22.380 7.376 0.288 1.00 30.10 C +ATOM 137 OG1 THR D 21 23.441 7.477 -0.672 1.00 33.30 O +ATOM 138 CG2 THR D 21 21.224 8.304 -0.112 1.00 26.32 C +ATOM 139 N CYS D 22 21.321 8.735 3.194 1.00 34.46 N +ATOM 140 CA CYS D 22 20.228 8.751 4.155 1.00 33.48 C +ATOM 141 C CYS D 22 19.016 9.479 3.583 1.00 32.23 C +ATOM 142 O CYS D 22 19.150 10.526 2.952 1.00 28.80 O +ATOM 143 CB CYS D 22 20.706 9.398 5.463 1.00 33.44 C +ATOM 144 SG CYS D 22 21.761 8.264 6.418 1.00 31.11 S +ATOM 145 N TYR D 23 17.834 8.901 3.793 1.00 35.14 N +ATOM 146 CA TYR D 23 16.592 9.478 3.295 1.00 34.84 C +ATOM 147 C TYR D 23 15.755 10.070 4.409 1.00 35.71 C +ATOM 148 O TYR D 23 15.752 9.576 5.537 1.00 36.27 O +ATOM 149 CB TYR D 23 15.761 8.432 2.545 1.00 33.55 C +ATOM 150 CG TYR D 23 16.371 7.973 1.237 1.00 36.44 C +ATOM 151 CD1 TYR D 23 17.532 7.196 1.216 1.00 35.72 C +ATOM 152 CD2 TYR D 23 15.793 8.327 0.014 1.00 35.05 C +ATOM 153 CE1 TYR D 23 18.107 6.783 0.004 1.00 37.40 C +ATOM 154 CE2 TYR D 23 16.359 7.919 -1.202 1.00 37.00 C +ATOM 155 CZ TYR D 23 17.517 7.149 -1.204 1.00 36.91 C +ATOM 156 OH TYR D 23 18.088 6.757 -2.405 1.00 28.72 O +ATOM 157 N TYR D 24 15.058 11.150 4.078 1.00 36.58 N +ATOM 158 CA TYR D 24 14.190 11.827 5.026 1.00 34.88 C +ATOM 159 C TYR D 24 12.965 12.336 4.277 1.00 37.29 C +ATOM 160 O TYR D 24 12.999 12.521 3.058 1.00 35.90 O +ATOM 161 CB TYR D 24 14.937 12.975 5.722 1.00 35.49 C +ATOM 162 CG TYR D 24 15.381 14.106 4.817 1.00 31.40 C +ATOM 163 CD1 TYR D 24 14.460 15.009 4.293 1.00 29.59 C +ATOM 164 CD2 TYR D 24 16.720 14.267 4.483 1.00 30.33 C +ATOM 165 CE1 TYR D 24 14.860 16.044 3.458 1.00 32.22 C +ATOM 166 CE2 TYR D 24 17.130 15.299 3.647 1.00 36.09 C +ATOM 167 CZ TYR D 24 16.191 16.183 3.137 1.00 32.19 C +ATOM 168 OH TYR D 24 16.587 17.198 2.301 1.00 38.40 O +ATOM 169 N PRO D 25 11.847 12.525 4.990 1.00 40.91 N +ATOM 170 CA PRO D 25 10.630 13.013 4.338 1.00 42.48 C +ATOM 171 C PRO D 25 10.891 14.440 3.867 1.00 44.71 C +ATOM 172 O PRO D 25 11.117 15.338 4.676 1.00 45.85 O +ATOM 173 CB PRO D 25 9.597 12.935 5.452 1.00 40.88 C +ATOM 174 CG PRO D 25 10.415 13.281 6.668 1.00 42.88 C +ATOM 175 CD PRO D 25 11.678 12.468 6.455 1.00 41.69 C +ATOM 176 N PRO D 26 10.875 14.661 2.548 1.00 46.64 N +ATOM 177 CA PRO D 26 11.119 15.979 1.955 1.00 50.02 C +ATOM 178 C PRO D 26 10.060 17.053 2.208 1.00 53.06 C +ATOM 179 O PRO D 26 9.224 17.312 1.343 1.00 54.18 O +ATOM 180 CB PRO D 26 11.263 15.658 0.473 1.00 50.01 C +ATOM 181 CG PRO D 26 10.301 14.520 0.306 1.00 49.92 C +ATOM 182 CD PRO D 26 10.602 13.659 1.504 1.00 47.12 C +ATOM 183 N THR D 27 10.099 17.677 3.386 1.00 55.74 N +ATOM 184 CA THR D 27 9.149 18.739 3.716 1.00 56.41 C +ATOM 185 C THR D 27 9.886 20.067 3.600 1.00 58.82 C +ATOM 186 O THR D 27 11.051 20.102 3.203 1.00 57.66 O +ATOM 187 CB THR D 27 8.589 18.614 5.162 1.00 54.76 C +ATOM 188 OG1 THR D 27 9.625 18.896 6.112 1.00 55.56 O +ATOM 189 CG2 THR D 27 8.042 17.220 5.410 1.00 53.26 C +ATOM 190 N SER D 28 9.205 21.159 3.933 1.00 63.13 N +ATOM 191 CA SER D 28 9.826 22.475 3.870 1.00 66.86 C +ATOM 192 C SER D 28 10.904 22.511 4.942 1.00 68.08 C +ATOM 193 O SER D 28 12.027 22.953 4.699 1.00 69.31 O +ATOM 194 CB SER D 28 8.785 23.580 4.118 1.00 68.99 C +ATOM 195 OG SER D 28 8.142 23.436 5.377 1.00 70.85 O +ATOM 196 N VAL D 29 10.548 22.026 6.128 1.00 69.78 N +ATOM 197 CA VAL D 29 11.470 21.981 7.254 1.00 70.09 C +ATOM 198 C VAL D 29 12.680 21.137 6.888 1.00 70.12 C +ATOM 199 O VAL D 29 13.774 21.661 6.680 1.00 70.93 O +ATOM 200 CB VAL D 29 10.797 21.367 8.505 1.00 70.50 C +ATOM 201 CG1 VAL D 29 11.836 21.132 9.603 1.00 70.23 C +ATOM 202 CG2 VAL D 29 9.696 22.292 9.003 1.00 70.57 C +ATOM 203 N ASN D 30 12.465 19.828 6.802 1.00 69.26 N +ATOM 204 CA ASN D 30 13.523 18.879 6.474 1.00 68.48 C +ATOM 205 C ASN D 30 14.554 19.406 5.468 1.00 67.60 C +ATOM 206 O ASN D 30 15.742 19.098 5.580 1.00 68.01 O +ATOM 207 CB ASN D 30 12.903 17.572 5.962 1.00 68.30 C +ATOM 208 CG ASN D 30 12.099 16.846 7.032 1.00 67.35 C +ATOM 209 OD1 ASN D 30 12.645 16.401 8.039 1.00 67.53 O +ATOM 210 ND2 ASN D 30 10.796 16.726 6.816 1.00 68.18 N +ATOM 211 N ARG D 31 14.110 20.197 4.492 1.00 66.26 N +ATOM 212 CA ARG D 31 15.027 20.747 3.495 1.00 63.89 C +ATOM 213 C ARG D 31 15.942 21.781 4.133 1.00 62.16 C +ATOM 214 O ARG D 31 17.163 21.657 4.069 1.00 63.09 O +ATOM 215 CB ARG D 31 14.261 21.403 2.347 1.00 64.75 C +ATOM 216 CG ARG D 31 13.434 20.454 1.498 1.00 65.23 C +ATOM 217 CD ARG D 31 12.800 21.225 0.357 1.00 66.78 C +ATOM 218 NE ARG D 31 12.050 22.379 0.851 1.00 69.59 N +ATOM 219 CZ ARG D 31 11.613 23.381 0.090 1.00 70.77 C +ATOM 220 NH1 ARG D 31 11.848 23.382 -1.216 1.00 69.22 N +ATOM 221 NH2 ARG D 31 10.942 24.388 0.636 1.00 70.62 N +ATOM 222 N HIS D 32 15.347 22.799 4.750 1.00 59.56 N +ATOM 223 CA HIS D 32 16.118 23.860 5.399 1.00 57.32 C +ATOM 224 C HIS D 32 16.925 23.335 6.585 1.00 52.79 C +ATOM 225 O HIS D 32 17.991 23.865 6.904 1.00 53.25 O +ATOM 226 CB HIS D 32 15.194 24.974 5.906 1.00 59.56 C +ATOM 227 CG HIS D 32 14.225 25.482 4.885 1.00 61.08 C +ATOM 228 ND1 HIS D 32 14.604 25.840 3.609 1.00 62.01 N +ATOM 229 CD2 HIS D 32 12.897 25.733 4.968 1.00 61.50 C +ATOM 230 CE1 HIS D 32 13.551 26.291 2.950 1.00 63.47 C +ATOM 231 NE2 HIS D 32 12.502 26.237 3.752 1.00 64.18 N +ATOM 232 N THR D 33 16.398 22.301 7.235 1.00 47.44 N +ATOM 233 CA THR D 33 17.024 21.686 8.407 1.00 43.65 C +ATOM 234 C THR D 33 18.481 21.318 8.159 1.00 40.65 C +ATOM 235 O THR D 33 18.849 20.967 7.040 1.00 40.85 O +ATOM 236 CB THR D 33 16.290 20.387 8.813 1.00 43.22 C +ATOM 237 OG1 THR D 33 14.873 20.567 8.696 1.00 45.41 O +ATOM 238 CG2 THR D 33 16.618 20.026 10.240 1.00 41.67 C +ATOM 239 N ARG D 34 19.315 21.389 9.192 1.00 35.01 N +ATOM 240 CA ARG D 34 20.707 21.014 9.001 1.00 34.68 C +ATOM 241 C ARG D 34 20.775 19.489 8.933 1.00 33.86 C +ATOM 242 O ARG D 34 19.946 18.796 9.522 1.00 34.71 O +ATOM 243 CB ARG D 34 21.587 21.517 10.144 1.00 33.63 C +ATOM 244 CG ARG D 34 21.607 20.623 11.355 1.00 35.76 C +ATOM 245 CD ARG D 34 22.959 20.665 12.042 1.00 35.43 C +ATOM 246 NE ARG D 34 23.061 19.627 13.066 1.00 37.42 N +ATOM 247 CZ ARG D 34 24.200 19.242 13.634 1.00 35.95 C +ATOM 248 NH1 ARG D 34 25.347 19.804 13.281 1.00 33.65 N +ATOM 249 NH2 ARG D 34 24.191 18.288 14.555 1.00 39.52 N +ATOM 250 N LYS D 35 21.754 18.973 8.198 1.00 32.43 N +ATOM 251 CA LYS D 35 21.937 17.533 8.044 1.00 29.42 C +ATOM 252 C LYS D 35 23.267 17.221 8.698 1.00 27.37 C +ATOM 253 O LYS D 35 24.213 17.992 8.564 1.00 28.75 O +ATOM 254 CB LYS D 35 21.994 17.164 6.560 1.00 30.63 C +ATOM 255 CG LYS D 35 20.923 17.814 5.702 1.00 25.47 C +ATOM 256 CD LYS D 35 19.548 17.503 6.222 1.00 27.12 C +ATOM 257 CE LYS D 35 18.479 17.973 5.256 1.00 30.55 C +ATOM 258 NZ LYS D 35 18.585 19.427 4.965 1.00 32.43 N +ATOM 259 N TYR D 36 23.360 16.105 9.409 1.00 28.35 N +ATOM 260 CA TYR D 36 24.619 15.787 10.065 1.00 26.64 C +ATOM 261 C TYR D 36 24.996 14.318 10.027 1.00 24.57 C +ATOM 262 O TYR D 36 24.164 13.440 9.802 1.00 21.98 O +ATOM 263 CB TYR D 36 24.589 16.257 11.530 1.00 32.64 C +ATOM 264 CG TYR D 36 23.626 15.468 12.391 1.00 36.58 C +ATOM 265 CD1 TYR D 36 23.945 14.173 12.828 1.00 38.34 C +ATOM 266 CD2 TYR D 36 22.361 15.974 12.691 1.00 36.44 C +ATOM 267 CE1 TYR D 36 23.024 13.397 13.531 1.00 40.10 C +ATOM 268 CE2 TYR D 36 21.433 15.210 13.397 1.00 42.25 C +ATOM 269 CZ TYR D 36 21.769 13.922 13.809 1.00 42.63 C +ATOM 270 OH TYR D 36 20.837 13.158 14.468 1.00 44.26 O +ATOM 271 N TRP D 37 26.279 14.082 10.261 1.00 23.89 N +ATOM 272 CA TRP D 37 26.863 12.758 10.301 1.00 24.01 C +ATOM 273 C TRP D 37 27.750 12.788 11.537 1.00 23.44 C +ATOM 274 O TRP D 37 28.702 13.564 11.599 1.00 28.10 O +ATOM 275 CB TRP D 37 27.690 12.533 9.036 1.00 20.04 C +ATOM 276 CG TRP D 37 28.536 11.302 9.055 1.00 20.11 C +ATOM 277 CD1 TRP D 37 29.887 11.251 9.151 1.00 19.83 C +ATOM 278 CD2 TRP D 37 28.088 9.944 8.958 1.00 19.22 C +ATOM 279 NE1 TRP D 37 30.318 9.951 9.116 1.00 19.78 N +ATOM 280 CE2 TRP D 37 29.234 9.125 8.998 1.00 16.99 C +ATOM 281 CE3 TRP D 37 26.829 9.340 8.841 1.00 18.19 C +ATOM 282 CZ2 TRP D 37 29.165 7.728 8.924 1.00 18.69 C +ATOM 283 CZ3 TRP D 37 26.759 7.948 8.768 1.00 17.82 C +ATOM 284 CH2 TRP D 37 27.921 7.160 8.809 1.00 16.50 C +ATOM 285 N CYS D 38 27.428 11.970 12.529 1.00 25.50 N +ATOM 286 CA CYS D 38 28.220 11.944 13.756 1.00 32.12 C +ATOM 287 C CYS D 38 28.617 10.538 14.186 1.00 31.91 C +ATOM 288 O CYS D 38 28.037 9.545 13.742 1.00 31.37 O +ATOM 289 CB CYS D 38 27.447 12.621 14.894 1.00 38.76 C +ATOM 290 SG CYS D 38 25.803 11.903 15.261 1.00 49.99 S +ATOM 291 N ARG D 39 29.608 10.467 15.065 1.00 31.26 N +ATOM 292 CA ARG D 39 30.086 9.193 15.565 1.00 35.97 C +ATOM 293 C ARG D 39 29.729 9.011 17.041 1.00 36.94 C +ATOM 294 O ARG D 39 29.805 9.956 17.830 1.00 35.97 O +ATOM 295 CB ARG D 39 31.597 9.109 15.375 1.00 34.01 C +ATOM 296 CG ARG D 39 32.178 7.759 15.700 1.00 35.35 C +ATOM 297 CD ARG D 39 33.581 7.666 15.175 1.00 35.38 C +ATOM 298 NE ARG D 39 34.092 6.312 15.286 1.00 36.41 N +ATOM 299 CZ ARG D 39 35.258 5.921 14.792 1.00 39.61 C +ATOM 300 NH1 ARG D 39 36.039 6.789 14.153 1.00 37.46 N +ATOM 301 NH2 ARG D 39 35.639 4.658 14.933 1.00 42.39 N +ATOM 302 N GLN D 40 29.370 7.783 17.407 1.00 39.14 N +ATOM 303 CA GLN D 40 29.010 7.450 18.783 1.00 42.48 C +ATOM 304 C GLN D 40 30.125 7.751 19.782 1.00 40.38 C +ATOM 305 O GLN D 40 31.222 7.205 19.683 1.00 41.17 O +ATOM 306 CB GLN D 40 28.634 5.975 18.866 1.00 45.93 C +ATOM 307 CG GLN D 40 27.304 5.659 18.211 1.00 52.58 C +ATOM 308 CD GLN D 40 26.122 6.113 19.047 1.00 57.20 C +ATOM 309 OE1 GLN D 40 25.818 5.521 20.087 1.00 60.52 O +ATOM 310 NE2 GLN D 40 25.454 7.174 18.603 1.00 59.12 N +ATOM 311 N CYS D 46 27.081 11.805 20.497 1.00 47.46 N +ATOM 312 CA CYS D 46 27.311 11.656 19.065 1.00 48.22 C +ATOM 313 C CYS D 46 28.055 12.887 18.556 1.00 48.37 C +ATOM 314 O CYS D 46 27.465 13.944 18.343 1.00 48.42 O +ATOM 315 CB CYS D 46 25.983 11.498 18.319 1.00 46.85 C +ATOM 316 SG CYS D 46 26.145 10.558 16.763 1.00 53.87 S +ATOM 317 N ILE D 47 29.358 12.731 18.357 1.00 46.42 N +ATOM 318 CA ILE D 47 30.224 13.815 17.908 1.00 44.27 C +ATOM 319 C ILE D 47 30.084 14.121 16.417 1.00 42.44 C +ATOM 320 O ILE D 47 30.366 13.261 15.587 1.00 41.00 O +ATOM 321 CB ILE D 47 31.722 13.462 18.167 1.00 45.26 C +ATOM 322 CG1 ILE D 47 31.909 12.903 19.581 1.00 44.77 C +ATOM 323 CG2 ILE D 47 32.594 14.683 17.952 1.00 43.31 C +ATOM 324 CD1 ILE D 47 31.810 11.378 19.664 1.00 45.39 C +ATOM 325 N THR D 48 29.687 15.346 16.074 1.00 40.69 N +ATOM 326 CA THR D 48 29.549 15.709 14.662 1.00 37.86 C +ATOM 327 C THR D 48 30.880 15.648 13.921 1.00 34.70 C +ATOM 328 O THR D 48 31.889 16.192 14.369 1.00 35.30 O +ATOM 329 CB THR D 48 28.921 17.120 14.470 1.00 35.11 C +ATOM 330 OG1 THR D 48 27.499 17.043 14.645 1.00 33.66 O +ATOM 331 CG2 THR D 48 29.203 17.646 13.077 1.00 34.84 C +ATOM 332 N LEU D 49 30.872 14.956 12.786 1.00 33.44 N +ATOM 333 CA LEU D 49 32.062 14.827 11.961 1.00 29.40 C +ATOM 334 C LEU D 49 31.951 15.762 10.755 1.00 29.16 C +ATOM 335 O LEU D 49 32.948 16.318 10.287 1.00 27.70 O +ATOM 336 CB LEU D 49 32.232 13.376 11.511 1.00 28.85 C +ATOM 337 CG LEU D 49 32.695 12.439 12.628 1.00 26.46 C +ATOM 338 CD1 LEU D 49 32.711 11.007 12.133 1.00 27.13 C +ATOM 339 CD2 LEU D 49 34.072 12.855 13.085 1.00 23.65 C +ATOM 340 N ILE D 50 30.725 15.943 10.273 1.00 26.33 N +ATOM 341 CA ILE D 50 30.467 16.813 9.138 1.00 27.08 C +ATOM 342 C ILE D 50 28.976 17.156 9.089 1.00 26.95 C +ATOM 343 O ILE D 50 28.134 16.305 9.368 1.00 28.62 O +ATOM 344 CB ILE D 50 30.910 16.128 7.813 1.00 25.60 C +ATOM 345 CG1 ILE D 50 30.703 17.084 6.633 1.00 28.28 C +ATOM 346 CG2 ILE D 50 30.155 14.821 7.620 1.00 21.82 C +ATOM 347 CD1 ILE D 50 31.232 16.557 5.311 1.00 26.72 C +ATOM 348 N SER D 51 28.655 18.408 8.761 1.00 27.79 N +ATOM 349 CA SER D 51 27.257 18.852 8.667 1.00 26.01 C +ATOM 350 C SER D 51 27.053 19.714 7.424 1.00 26.84 C +ATOM 351 O SER D 51 28.017 20.155 6.803 1.00 26.43 O +ATOM 352 CB SER D 51 26.847 19.665 9.902 1.00 27.95 C +ATOM 353 OG SER D 51 27.326 21.001 9.830 1.00 28.40 O +ATOM 354 N SER D 52 25.796 19.975 7.076 1.00 28.50 N +ATOM 355 CA SER D 52 25.487 20.783 5.900 1.00 30.51 C +ATOM 356 C SER D 52 25.431 22.274 6.218 1.00 32.77 C +ATOM 357 O SER D 52 25.019 23.074 5.375 1.00 35.16 O +ATOM 358 CB SER D 52 24.151 20.344 5.298 1.00 28.88 C +ATOM 359 OG SER D 52 23.084 20.566 6.200 1.00 28.43 O +ATOM 360 N GLU D 53 25.856 22.646 7.424 1.00 32.66 N +ATOM 361 CA GLU D 53 25.829 24.043 7.848 1.00 34.96 C +ATOM 362 C GLU D 53 27.174 24.774 7.873 1.00 35.82 C +ATOM 363 O GLU D 53 27.292 25.825 8.496 1.00 36.47 O +ATOM 364 CB GLU D 53 25.182 24.146 9.226 1.00 36.71 C +ATOM 365 CG GLU D 53 23.774 23.610 9.284 1.00 40.44 C +ATOM 366 CD GLU D 53 22.797 24.449 8.492 1.00 43.81 C +ATOM 367 OE1 GLU D 53 23.000 24.612 7.271 1.00 47.19 O +ATOM 368 OE2 GLU D 53 21.820 24.947 9.091 1.00 47.37 O +ATOM 369 N GLY D 54 28.187 24.226 7.213 1.00 34.49 N +ATOM 370 CA GLY D 54 29.479 24.898 7.181 1.00 35.65 C +ATOM 371 C GLY D 54 30.561 24.370 8.105 1.00 34.12 C +ATOM 372 O GLY D 54 31.585 25.031 8.308 1.00 32.40 O +ATOM 373 N TYR D 55 30.344 23.174 8.643 1.00 33.84 N +ATOM 374 CA TYR D 55 31.287 22.554 9.563 1.00 33.26 C +ATOM 375 C TYR D 55 31.790 21.184 9.112 1.00 33.87 C +ATOM 376 O TYR D 55 31.028 20.348 8.629 1.00 32.28 O +ATOM 377 CB TYR D 55 30.638 22.414 10.948 1.00 31.50 C +ATOM 378 CG TYR D 55 31.484 21.671 11.958 1.00 32.17 C +ATOM 379 CD1 TYR D 55 32.635 22.252 12.493 1.00 33.92 C +ATOM 380 CD2 TYR D 55 31.145 20.379 12.366 1.00 30.10 C +ATOM 381 CE1 TYR D 55 33.435 21.564 13.411 1.00 34.56 C +ATOM 382 CE2 TYR D 55 31.935 19.682 13.284 1.00 31.66 C +ATOM 383 CZ TYR D 55 33.080 20.282 13.802 1.00 32.99 C +ATOM 384 OH TYR D 55 33.868 19.609 14.708 1.00 33.15 O +ATOM 385 N VAL D 56 33.090 20.976 9.277 1.00 39.02 N +ATOM 386 CA VAL D 56 33.737 19.711 8.951 1.00 42.90 C +ATOM 387 C VAL D 56 34.944 19.608 9.875 1.00 43.94 C +ATOM 388 O VAL D 56 35.846 20.443 9.830 1.00 46.09 O +ATOM 389 CB VAL D 56 34.189 19.640 7.459 1.00 43.64 C +ATOM 390 CG1 VAL D 56 35.356 20.581 7.200 1.00 46.21 C +ATOM 391 CG2 VAL D 56 34.562 18.212 7.102 1.00 43.64 C +ATOM 392 N SER D 57 34.937 18.604 10.744 1.00 45.73 N +ATOM 393 CA SER D 57 36.038 18.408 11.679 1.00 47.46 C +ATOM 394 C SER D 57 37.352 18.240 10.919 1.00 50.01 C +ATOM 395 O SER D 57 37.387 17.602 9.866 1.00 51.58 O +ATOM 396 CB SER D 57 35.775 17.172 12.541 1.00 46.17 C +ATOM 397 OG SER D 57 35.450 16.054 11.732 1.00 45.46 O +ATOM 398 N SER D 58 38.429 18.822 11.444 1.00 51.23 N +ATOM 399 CA SER D 58 39.736 18.706 10.804 1.00 50.15 C +ATOM 400 C SER D 58 40.015 17.222 10.569 1.00 49.28 C +ATOM 401 O SER D 58 40.785 16.854 9.675 1.00 50.68 O +ATOM 402 CB SER D 58 40.834 19.320 11.689 1.00 53.25 C +ATOM 403 OG SER D 58 41.004 18.610 12.909 1.00 52.94 O +ATOM 404 N LYS D 59 39.374 16.378 11.377 1.00 45.22 N +ATOM 405 CA LYS D 59 39.516 14.933 11.271 1.00 42.03 C +ATOM 406 C LYS D 59 38.940 14.464 9.932 1.00 41.70 C +ATOM 407 O LYS D 59 39.415 13.487 9.351 1.00 45.36 O +ATOM 408 CB LYS D 59 38.790 14.251 12.430 1.00 41.70 C +ATOM 409 N TYR D 60 37.917 15.163 9.444 1.00 36.95 N +ATOM 410 CA TYR D 60 37.296 14.815 8.171 1.00 33.85 C +ATOM 411 C TYR D 60 37.756 15.727 7.053 1.00 32.93 C +ATOM 412 O TYR D 60 37.996 15.276 5.937 1.00 33.86 O +ATOM 413 CB TYR D 60 35.771 14.890 8.268 1.00 32.66 C +ATOM 414 CG TYR D 60 35.091 13.552 8.450 1.00 32.64 C +ATOM 415 CD1 TYR D 60 33.754 13.373 8.086 1.00 33.70 C +ATOM 416 CD2 TYR D 60 35.781 12.458 8.978 1.00 34.79 C +ATOM 417 CE1 TYR D 60 33.118 12.127 8.240 1.00 34.10 C +ATOM 418 CE2 TYR D 60 35.157 11.208 9.136 1.00 33.64 C +ATOM 419 CZ TYR D 60 33.830 11.051 8.764 1.00 32.18 C +ATOM 420 OH TYR D 60 33.224 9.821 8.898 1.00 28.68 O +ATOM 421 N ALA D 61 37.872 17.015 7.359 1.00 33.87 N +ATOM 422 CA ALA D 61 38.289 18.012 6.380 1.00 31.62 C +ATOM 423 C ALA D 61 39.238 17.432 5.340 1.00 33.65 C +ATOM 424 O ALA D 61 40.328 16.955 5.666 1.00 36.78 O +ATOM 425 CB ALA D 61 38.942 19.202 7.084 1.00 32.10 C +ATOM 426 N GLY D 62 38.809 17.458 4.083 1.00 32.42 N +ATOM 427 CA GLY D 62 39.646 16.942 3.021 1.00 31.13 C +ATOM 428 C GLY D 62 39.384 15.500 2.640 1.00 31.83 C +ATOM 429 O GLY D 62 39.567 15.133 1.480 1.00 31.85 O +ATOM 430 N ARG D 63 38.955 14.676 3.592 1.00 27.25 N +ATOM 431 CA ARG D 63 38.699 13.269 3.290 1.00 27.59 C +ATOM 432 C ARG D 63 37.227 12.902 3.311 1.00 25.20 C +ATOM 433 O ARG D 63 36.891 11.724 3.350 1.00 23.49 O +ATOM 434 CB ARG D 63 39.434 12.369 4.284 1.00 27.98 C +ATOM 435 CG ARG D 63 39.038 12.617 5.736 1.00 31.75 C +ATOM 436 CD ARG D 63 39.673 11.623 6.691 1.00 31.69 C +ATOM 437 NE ARG D 63 39.318 10.241 6.376 1.00 30.19 N +ATOM 438 CZ ARG D 63 38.807 9.382 7.252 1.00 29.06 C +ATOM 439 NH1 ARG D 63 38.587 9.761 8.503 1.00 31.00 N +ATOM 440 NH2 ARG D 63 38.520 8.142 6.878 1.00 29.65 N +ATOM 441 N ALA D 64 36.353 13.900 3.275 1.00 23.26 N +ATOM 442 CA ALA D 64 34.924 13.634 3.330 1.00 23.78 C +ATOM 443 C ALA D 64 34.066 14.788 2.835 1.00 23.69 C +ATOM 444 O ALA D 64 34.499 15.942 2.803 1.00 24.37 O +ATOM 445 CB ALA D 64 34.528 13.286 4.766 1.00 25.48 C +ATOM 446 N ASN D 65 32.829 14.466 2.481 1.00 24.32 N +ATOM 447 CA ASN D 65 31.888 15.460 1.986 1.00 24.60 C +ATOM 448 C ASN D 65 30.442 15.064 2.297 1.00 26.77 C +ATOM 449 O ASN D 65 30.101 13.874 2.346 1.00 25.75 O +ATOM 450 CB ASN D 65 32.080 15.637 0.467 1.00 23.94 C +ATOM 451 CG ASN D 65 31.177 16.709 -0.120 1.00 23.52 C +ATOM 452 OD1 ASN D 65 30.850 17.688 0.545 1.00 26.17 O +ATOM 453 ND2 ASN D 65 30.782 16.532 -1.379 1.00 23.13 N +ATOM 454 N LEU D 66 29.601 16.068 2.532 1.00 24.45 N +ATOM 455 CA LEU D 66 28.186 15.840 2.794 1.00 24.42 C +ATOM 456 C LEU D 66 27.423 16.685 1.784 1.00 20.62 C +ATOM 457 O LEU D 66 27.646 17.887 1.682 1.00 23.36 O +ATOM 458 CB LEU D 66 27.816 16.241 4.230 1.00 22.30 C +ATOM 459 CG LEU D 66 26.398 15.898 4.733 1.00 21.48 C +ATOM 460 CD1 LEU D 66 26.432 15.679 6.250 1.00 19.59 C +ATOM 461 CD2 LEU D 66 25.418 17.005 4.375 1.00 19.27 C +ATOM 462 N THR D 67 26.544 16.039 1.027 1.00 24.72 N +ATOM 463 CA THR D 67 25.743 16.705 -0.002 1.00 28.16 C +ATOM 464 C THR D 67 24.268 16.462 0.273 1.00 28.98 C +ATOM 465 O THR D 67 23.874 15.336 0.577 1.00 30.13 O +ATOM 466 CB THR D 67 26.056 16.143 -1.414 1.00 28.93 C +ATOM 467 OG1 THR D 67 27.473 16.128 -1.624 1.00 31.14 O +ATOM 468 CG2 THR D 67 25.400 16.999 -2.487 1.00 30.62 C +ATOM 469 N ASN D 68 23.452 17.508 0.160 1.00 29.98 N +ATOM 470 CA ASN D 68 22.009 17.384 0.399 1.00 29.01 C +ATOM 471 C ASN D 68 21.234 17.585 -0.904 1.00 25.58 C +ATOM 472 O ASN D 68 21.558 18.454 -1.716 1.00 22.63 O +ATOM 473 CB ASN D 68 21.538 18.418 1.440 1.00 29.70 C +ATOM 474 CG ASN D 68 20.114 18.157 1.940 1.00 30.11 C +ATOM 475 OD1 ASN D 68 19.425 19.078 2.370 1.00 33.44 O +ATOM 476 ND2 ASN D 68 19.683 16.903 1.899 1.00 28.26 N +ATOM 477 N PHE D 69 20.214 16.761 -1.096 1.00 26.60 N +ATOM 478 CA PHE D 69 19.369 16.836 -2.276 1.00 28.35 C +ATOM 479 C PHE D 69 17.919 16.943 -1.821 1.00 30.31 C +ATOM 480 O PHE D 69 17.208 15.940 -1.737 1.00 31.38 O +ATOM 481 CB PHE D 69 19.553 15.595 -3.166 1.00 27.08 C +ATOM 482 CG PHE D 69 20.922 15.491 -3.804 1.00 29.02 C +ATOM 483 CD1 PHE D 69 21.845 14.547 -3.358 1.00 26.39 C +ATOM 484 CD2 PHE D 69 21.281 16.331 -4.859 1.00 27.27 C +ATOM 485 CE1 PHE D 69 23.104 14.440 -3.955 1.00 31.51 C +ATOM 486 CE2 PHE D 69 22.537 16.234 -5.462 1.00 27.76 C +ATOM 487 CZ PHE D 69 23.451 15.285 -5.010 1.00 29.45 C +ATOM 488 N PRO D 70 17.466 18.169 -1.508 1.00 33.33 N +ATOM 489 CA PRO D 70 16.097 18.431 -1.057 1.00 32.10 C +ATOM 490 C PRO D 70 15.078 17.954 -2.083 1.00 33.30 C +ATOM 491 O PRO D 70 13.977 17.536 -1.726 1.00 37.17 O +ATOM 492 CB PRO D 70 16.069 19.948 -0.898 1.00 32.55 C +ATOM 493 CG PRO D 70 17.483 20.279 -0.578 1.00 34.02 C +ATOM 494 CD PRO D 70 18.248 19.416 -1.538 1.00 32.84 C +ATOM 495 N GLU D 71 15.445 18.037 -3.359 1.00 32.68 N +ATOM 496 CA GLU D 71 14.568 17.603 -4.435 1.00 31.45 C +ATOM 497 C GLU D 71 13.962 16.223 -4.127 1.00 31.97 C +ATOM 498 O GLU D 71 12.747 16.040 -4.232 1.00 29.42 O +ATOM 499 CB GLU D 71 15.340 17.565 -5.741 1.00 35.28 C +ATOM 500 N ASN D 72 14.797 15.251 -3.751 1.00 30.56 N +ATOM 501 CA ASN D 72 14.275 13.924 -3.420 1.00 29.62 C +ATOM 502 C ASN D 72 14.554 13.467 -1.977 1.00 30.47 C +ATOM 503 O ASN D 72 14.680 12.270 -1.706 1.00 29.49 O +ATOM 504 CB ASN D 72 14.784 12.867 -4.409 1.00 29.43 C +ATOM 505 CG ASN D 72 16.257 12.582 -4.262 1.00 29.38 C +ATOM 506 OD1 ASN D 72 16.755 11.575 -4.781 1.00 24.79 O +ATOM 507 ND2 ASN D 72 16.971 13.464 -3.564 1.00 28.62 N +ATOM 508 N GLY D 73 14.644 14.432 -1.062 1.00 29.68 N +ATOM 509 CA GLY D 73 14.866 14.137 0.345 1.00 29.92 C +ATOM 510 C GLY D 73 15.931 13.116 0.691 1.00 30.67 C +ATOM 511 O GLY D 73 15.658 12.088 1.312 1.00 31.46 O +ATOM 512 N THR D 74 17.158 13.411 0.290 1.00 31.33 N +ATOM 513 CA THR D 74 18.301 12.552 0.554 1.00 32.31 C +ATOM 514 C THR D 74 19.558 13.399 0.721 1.00 30.58 C +ATOM 515 O THR D 74 19.626 14.515 0.220 1.00 31.44 O +ATOM 516 CB THR D 74 18.584 11.626 -0.655 1.00 33.10 C +ATOM 517 OG1 THR D 74 19.093 12.412 -1.746 1.00 30.32 O +ATOM 518 CG2 THR D 74 17.320 10.933 -1.112 1.00 34.16 C +ATOM 519 N PHE D 75 20.543 12.869 1.440 1.00 29.49 N +ATOM 520 CA PHE D 75 21.833 13.524 1.562 1.00 26.73 C +ATOM 521 C PHE D 75 22.868 12.408 1.584 1.00 27.96 C +ATOM 522 O PHE D 75 22.598 11.314 2.087 1.00 28.94 O +ATOM 523 CB PHE D 75 21.923 14.486 2.777 1.00 29.23 C +ATOM 524 CG PHE D 75 21.759 13.853 4.134 1.00 24.91 C +ATOM 525 CD1 PHE D 75 22.870 13.520 4.896 1.00 27.94 C +ATOM 526 CD2 PHE D 75 20.499 13.715 4.705 1.00 27.27 C +ATOM 527 CE1 PHE D 75 22.728 13.068 6.218 1.00 26.75 C +ATOM 528 CE2 PHE D 75 20.350 13.263 6.022 1.00 25.49 C +ATOM 529 CZ PHE D 75 21.468 12.944 6.776 1.00 25.98 C +ATOM 530 N VAL D 76 24.025 12.670 0.979 1.00 25.17 N +ATOM 531 CA VAL D 76 25.097 11.682 0.864 1.00 22.65 C +ATOM 532 C VAL D 76 26.377 12.101 1.546 1.00 17.00 C +ATOM 533 O VAL D 76 26.845 13.222 1.381 1.00 18.90 O +ATOM 534 CB VAL D 76 25.449 11.413 -0.628 1.00 23.38 C +ATOM 535 CG1 VAL D 76 26.573 10.402 -0.725 1.00 22.83 C +ATOM 536 CG2 VAL D 76 24.222 10.931 -1.382 1.00 25.44 C +ATOM 537 N VAL D 77 26.946 11.175 2.302 1.00 20.16 N +ATOM 538 CA VAL D 77 28.194 11.399 3.002 1.00 17.97 C +ATOM 539 C VAL D 77 29.231 10.559 2.277 1.00 22.13 C +ATOM 540 O VAL D 77 29.081 9.339 2.198 1.00 27.29 O +ATOM 541 CB VAL D 77 28.087 10.915 4.459 1.00 16.59 C +ATOM 542 CG1 VAL D 77 29.467 10.813 5.095 1.00 18.39 C +ATOM 543 CG2 VAL D 77 27.205 11.872 5.241 1.00 19.77 C +ATOM 544 N ASN D 78 30.256 11.198 1.721 1.00 20.89 N +ATOM 545 CA ASN D 78 31.315 10.464 1.040 1.00 21.17 C +ATOM 546 C ASN D 78 32.530 10.508 1.949 1.00 24.44 C +ATOM 547 O ASN D 78 32.921 11.572 2.433 1.00 22.23 O +ATOM 548 CB ASN D 78 31.666 11.113 -0.289 1.00 21.02 C +ATOM 549 CG ASN D 78 30.482 11.221 -1.207 1.00 25.34 C +ATOM 550 OD1 ASN D 78 30.177 12.295 -1.717 1.00 27.30 O +ATOM 551 ND2 ASN D 78 29.806 10.107 -1.430 1.00 26.87 N +ATOM 552 N ILE D 79 33.119 9.345 2.198 1.00 26.68 N +ATOM 553 CA ILE D 79 34.295 9.266 3.050 1.00 25.36 C +ATOM 554 C ILE D 79 35.398 8.513 2.324 1.00 24.75 C +ATOM 555 O ILE D 79 35.183 7.409 1.831 1.00 24.47 O +ATOM 556 CB ILE D 79 33.985 8.544 4.377 1.00 27.27 C +ATOM 557 CG1 ILE D 79 32.791 9.211 5.058 1.00 29.36 C +ATOM 558 CG2 ILE D 79 35.202 8.600 5.290 1.00 24.80 C +ATOM 559 CD1 ILE D 79 32.389 8.568 6.357 1.00 32.62 C +ATOM 560 N ALA D 80 36.585 9.108 2.284 1.00 25.70 N +ATOM 561 CA ALA D 80 37.722 8.502 1.600 1.00 27.81 C +ATOM 562 C ALA D 80 38.835 8.029 2.526 1.00 30.13 C +ATOM 563 O ALA D 80 38.840 8.342 3.719 1.00 31.04 O +ATOM 564 CB ALA D 80 38.283 9.479 0.594 1.00 30.87 C +ATOM 565 N GLN D 81 39.774 7.272 1.954 1.00 30.81 N +ATOM 566 CA GLN D 81 40.922 6.733 2.680 1.00 32.12 C +ATOM 567 C GLN D 81 40.528 6.064 4.011 1.00 30.03 C +ATOM 568 O GLN D 81 41.019 6.430 5.079 1.00 27.03 O +ATOM 569 CB GLN D 81 41.935 7.864 2.906 1.00 38.37 C +ATOM 570 CG GLN D 81 43.216 7.498 3.668 1.00 46.61 C +ATOM 571 CD GLN D 81 44.255 6.795 2.812 1.00 48.59 C +ATOM 572 OE1 GLN D 81 44.541 7.214 1.684 1.00 50.71 O +ATOM 573 NE2 GLN D 81 44.845 5.731 3.355 1.00 49.75 N +ATOM 574 N LEU D 82 39.644 5.074 3.927 1.00 30.12 N +ATOM 575 CA LEU D 82 39.164 4.342 5.101 1.00 30.26 C +ATOM 576 C LEU D 82 40.233 3.474 5.770 1.00 31.07 C +ATOM 577 O LEU D 82 41.057 2.850 5.109 1.00 29.45 O +ATOM 578 CB LEU D 82 37.975 3.455 4.717 1.00 26.91 C +ATOM 579 CG LEU D 82 36.658 4.131 4.327 1.00 25.98 C +ATOM 580 CD1 LEU D 82 35.810 3.145 3.545 1.00 29.02 C +ATOM 581 CD2 LEU D 82 35.923 4.614 5.565 1.00 26.53 C +ATOM 582 N SER D 83 40.200 3.445 7.096 1.00 34.53 N +ATOM 583 CA SER D 83 41.135 2.657 7.889 1.00 37.43 C +ATOM 584 C SER D 83 40.330 1.988 8.989 1.00 38.39 C +ATOM 585 O SER D 83 39.215 2.413 9.290 1.00 36.58 O +ATOM 586 CB SER D 83 42.198 3.556 8.524 1.00 37.26 C +ATOM 587 OG SER D 83 41.629 4.405 9.508 1.00 38.31 O +ATOM 588 N GLN D 84 40.888 0.946 9.592 1.00 41.22 N +ATOM 589 CA GLN D 84 40.182 0.258 10.661 1.00 42.47 C +ATOM 590 C GLN D 84 39.658 1.251 11.692 1.00 40.33 C +ATOM 591 O GLN D 84 38.620 1.021 12.307 1.00 39.71 O +ATOM 592 CB GLN D 84 41.099 -0.751 11.335 1.00 45.96 C +ATOM 593 CG GLN D 84 41.484 -1.900 10.444 1.00 50.85 C +ATOM 594 CD GLN D 84 42.141 -3.021 11.221 1.00 55.24 C +ATOM 595 OE1 GLN D 84 43.227 -2.855 11.778 1.00 57.01 O +ATOM 596 NE2 GLN D 84 41.477 -4.170 11.271 1.00 57.51 N +ATOM 597 N ASP D 85 40.375 2.357 11.871 1.00 39.83 N +ATOM 598 CA ASP D 85 39.968 3.383 12.822 1.00 41.75 C +ATOM 599 C ASP D 85 38.534 3.829 12.623 1.00 39.82 C +ATOM 600 O ASP D 85 37.806 4.013 13.591 1.00 41.73 O +ATOM 601 CB ASP D 85 40.856 4.617 12.713 1.00 48.91 C +ATOM 602 CG ASP D 85 40.182 5.865 13.284 1.00 55.55 C +ATOM 603 OD1 ASP D 85 39.195 6.352 12.675 1.00 55.53 O +ATOM 604 OD2 ASP D 85 40.634 6.353 14.347 1.00 59.46 O +ATOM 605 N ASP D 86 38.153 4.040 11.366 1.00 36.78 N +ATOM 606 CA ASP D 86 36.803 4.472 11.007 1.00 34.95 C +ATOM 607 C ASP D 86 35.719 3.471 11.409 1.00 31.41 C +ATOM 608 O ASP D 86 34.536 3.809 11.420 1.00 30.85 O +ATOM 609 CB ASP D 86 36.712 4.744 9.498 1.00 35.97 C +ATOM 610 CG ASP D 86 37.673 5.824 9.043 1.00 38.43 C +ATOM 611 OD1 ASP D 86 37.592 6.954 9.566 1.00 40.03 O +ATOM 612 OD2 ASP D 86 38.513 5.543 8.166 1.00 39.96 O +ATOM 613 N SER D 87 36.114 2.240 11.723 1.00 30.27 N +ATOM 614 CA SER D 87 35.148 1.224 12.143 1.00 28.57 C +ATOM 615 C SER D 87 34.431 1.749 13.387 1.00 29.73 C +ATOM 616 O SER D 87 35.075 2.201 14.333 1.00 31.33 O +ATOM 617 CB SER D 87 35.848 -0.101 12.491 1.00 25.17 C +ATOM 618 OG SER D 87 36.281 -0.800 11.337 1.00 23.83 O +ATOM 619 N GLY D 88 33.105 1.698 13.391 1.00 28.63 N +ATOM 620 CA GLY D 88 32.379 2.185 14.544 1.00 30.58 C +ATOM 621 C GLY D 88 30.910 2.426 14.285 1.00 31.71 C +ATOM 622 O GLY D 88 30.373 2.020 13.256 1.00 32.60 O +ATOM 623 N ARG D 89 30.261 3.091 15.233 1.00 32.28 N +ATOM 624 CA ARG D 89 28.846 3.399 15.124 1.00 33.94 C +ATOM 625 C ARG D 89 28.661 4.886 14.861 1.00 35.22 C +ATOM 626 O ARG D 89 29.289 5.728 15.512 1.00 38.03 O +ATOM 627 CB ARG D 89 28.118 3.016 16.414 1.00 35.40 C +ATOM 628 CG ARG D 89 28.432 1.624 16.906 1.00 42.11 C +ATOM 629 CD ARG D 89 27.539 1.207 18.067 1.00 47.10 C +ATOM 630 NE ARG D 89 28.025 -0.032 18.671 1.00 57.98 N +ATOM 631 CZ ARG D 89 27.351 -0.774 19.549 1.00 62.61 C +ATOM 632 NH1 ARG D 89 26.135 -0.415 19.943 1.00 65.61 N +ATOM 633 NH2 ARG D 89 27.906 -1.875 20.049 1.00 62.66 N +ATOM 634 N TYR D 90 27.800 5.204 13.899 1.00 34.43 N +ATOM 635 CA TYR D 90 27.526 6.589 13.548 1.00 31.63 C +ATOM 636 C TYR D 90 26.032 6.815 13.415 1.00 30.44 C +ATOM 637 O TYR D 90 25.230 5.897 13.573 1.00 31.51 O +ATOM 638 CB TYR D 90 28.178 6.965 12.216 1.00 30.52 C +ATOM 639 CG TYR D 90 29.668 6.766 12.137 1.00 29.01 C +ATOM 640 CD1 TYR D 90 30.214 5.487 12.031 1.00 28.29 C +ATOM 641 CD2 TYR D 90 30.537 7.859 12.120 1.00 27.87 C +ATOM 642 CE1 TYR D 90 31.593 5.295 11.901 1.00 26.84 C +ATOM 643 CE2 TYR D 90 31.915 7.679 11.993 1.00 26.93 C +ATOM 644 CZ TYR D 90 32.432 6.392 11.882 1.00 26.06 C +ATOM 645 OH TYR D 90 33.780 6.200 11.741 1.00 27.26 O +ATOM 646 N LYS D 91 25.670 8.054 13.112 1.00 28.24 N +ATOM 647 CA LYS D 91 24.282 8.423 12.921 1.00 27.81 C +ATOM 648 C LYS D 91 24.196 9.538 11.902 1.00 26.45 C +ATOM 649 O LYS D 91 25.060 10.406 11.847 1.00 27.43 O +ATOM 650 CB LYS D 91 23.650 8.902 14.234 1.00 26.09 C +ATOM 651 CG LYS D 91 23.334 7.797 15.206 1.00 29.97 C +ATOM 652 CD LYS D 91 22.889 8.342 16.556 1.00 33.35 C +ATOM 653 CE LYS D 91 22.790 7.213 17.583 1.00 35.08 C +ATOM 654 NZ LYS D 91 22.429 7.663 18.953 1.00 37.46 N +ATOM 655 N CYS D 92 23.167 9.488 11.070 1.00 25.83 N +ATOM 656 CA CYS D 92 22.933 10.542 10.106 1.00 28.88 C +ATOM 657 C CYS D 92 21.576 11.062 10.554 1.00 29.85 C +ATOM 658 O CYS D 92 20.694 10.279 10.920 1.00 32.60 O +ATOM 659 CB CYS D 92 22.875 9.997 8.673 1.00 28.14 C +ATOM 660 SG CYS D 92 21.522 8.826 8.356 1.00 36.14 S +ATOM 661 N GLY D 93 21.408 12.375 10.564 1.00 31.69 N +ATOM 662 CA GLY D 93 20.138 12.922 10.997 1.00 32.00 C +ATOM 663 C GLY D 93 19.890 14.346 10.560 1.00 32.11 C +ATOM 664 O GLY D 93 20.690 14.936 9.824 1.00 28.73 O +ATOM 665 N LEU D 94 18.765 14.888 11.022 1.00 35.43 N +ATOM 666 CA LEU D 94 18.366 16.254 10.710 1.00 39.61 C +ATOM 667 C LEU D 94 18.233 17.086 11.977 1.00 42.32 C +ATOM 668 O LEU D 94 17.966 16.562 13.067 1.00 42.21 O +ATOM 669 CB LEU D 94 17.014 16.286 9.994 1.00 38.66 C +ATOM 670 CG LEU D 94 16.711 15.386 8.797 1.00 38.81 C +ATOM 671 CD1 LEU D 94 15.352 15.767 8.251 1.00 38.51 C +ATOM 672 CD2 LEU D 94 17.758 15.533 7.726 1.00 37.59 C +ATOM 673 N GLY D 95 18.409 18.393 11.800 1.00 43.86 N +ATOM 674 CA GLY D 95 18.285 19.344 12.882 1.00 46.30 C +ATOM 675 C GLY D 95 19.342 19.293 13.953 1.00 47.88 C +ATOM 676 O GLY D 95 20.468 18.863 13.720 1.00 45.33 O +ATOM 677 N ILE D 96 18.959 19.762 15.137 1.00 53.36 N +ATOM 678 CA ILE D 96 19.841 19.782 16.291 1.00 57.14 C +ATOM 679 C ILE D 96 20.428 18.392 16.493 1.00 58.38 C +ATOM 680 O ILE D 96 19.715 17.385 16.450 1.00 59.14 O +ATOM 681 CB ILE D 96 19.082 20.240 17.566 1.00 58.23 C +ATOM 682 CG1 ILE D 96 17.572 20.024 17.396 1.00 57.11 C +ATOM 683 CG2 ILE D 96 19.375 21.706 17.838 1.00 59.23 C +ATOM 684 CD1 ILE D 96 16.745 20.394 18.623 1.00 55.35 C +ATOM 685 N ASN D 97 21.738 18.350 16.695 1.00 58.32 N +ATOM 686 CA ASN D 97 22.459 17.102 16.876 1.00 59.31 C +ATOM 687 C ASN D 97 21.688 16.080 17.718 1.00 61.47 C +ATOM 688 O ASN D 97 21.791 14.873 17.484 1.00 63.20 O +ATOM 689 CB ASN D 97 23.826 17.395 17.505 1.00 58.13 C +ATOM 690 CG ASN D 97 24.873 16.360 17.140 1.00 56.10 C +ATOM 691 OD1 ASN D 97 25.203 16.176 15.968 1.00 53.65 O +ATOM 692 ND2 ASN D 97 25.406 15.682 18.147 1.00 55.57 N +ATOM 693 N SER D 98 20.906 16.556 18.686 1.00 63.16 N +ATOM 694 CA SER D 98 20.139 15.656 19.549 1.00 63.15 C +ATOM 695 C SER D 98 18.618 15.790 19.442 1.00 64.53 C +ATOM 696 O SER D 98 17.896 15.510 20.400 1.00 65.48 O +ATOM 697 CB SER D 98 20.572 15.832 21.008 1.00 60.20 C +ATOM 698 OG SER D 98 20.519 17.190 21.396 1.00 58.68 O +ATOM 699 N ARG D 99 18.135 16.218 18.277 1.00 66.16 N +ATOM 700 CA ARG D 99 16.699 16.352 18.044 1.00 65.16 C +ATOM 701 C ARG D 99 16.134 14.932 17.923 1.00 64.42 C +ATOM 702 O ARG D 99 14.919 14.731 17.851 1.00 62.46 O +ATOM 703 CB ARG D 99 16.439 17.138 16.756 1.00 63.60 C +ATOM 704 N GLY D 100 17.043 13.958 17.896 1.00 62.91 N +ATOM 705 CA GLY D 100 16.659 12.562 17.793 1.00 60.86 C +ATOM 706 C GLY D 100 16.236 12.097 16.410 1.00 59.64 C +ATOM 707 O GLY D 100 16.035 10.900 16.199 1.00 61.71 O +ATOM 708 N LEU D 101 16.095 13.024 15.467 1.00 56.02 N +ATOM 709 CA LEU D 101 15.683 12.673 14.109 1.00 51.98 C +ATOM 710 C LEU D 101 16.836 12.060 13.321 1.00 50.86 C +ATOM 711 O LEU D 101 17.146 12.516 12.220 1.00 50.96 O +ATOM 712 CB LEU D 101 15.190 13.915 13.376 1.00 51.02 C +ATOM 713 CG LEU D 101 14.228 14.812 14.147 1.00 52.50 C +ATOM 714 CD1 LEU D 101 13.937 16.057 13.328 1.00 52.43 C +ATOM 715 CD2 LEU D 101 12.951 14.048 14.464 1.00 53.70 C +ATOM 716 N SER D 102 17.462 11.024 13.876 1.00 49.27 N +ATOM 717 CA SER D 102 18.593 10.370 13.216 1.00 46.47 C +ATOM 718 C SER D 102 18.320 8.932 12.776 1.00 43.97 C +ATOM 719 O SER D 102 17.170 8.503 12.661 1.00 45.35 O +ATOM 720 CB SER D 102 19.811 10.379 14.141 1.00 45.23 C +ATOM 721 OG SER D 102 19.631 9.476 15.217 1.00 48.27 O +ATOM 722 N PHE D 103 19.406 8.204 12.523 1.00 39.74 N +ATOM 723 CA PHE D 103 19.366 6.804 12.106 1.00 36.19 C +ATOM 724 C PHE D 103 20.754 6.243 12.372 1.00 36.07 C +ATOM 725 O PHE D 103 21.755 6.854 11.995 1.00 35.89 O +ATOM 726 CB PHE D 103 19.057 6.673 10.614 1.00 31.43 C +ATOM 727 CG PHE D 103 18.948 5.247 10.141 1.00 32.75 C +ATOM 728 CD1 PHE D 103 17.706 4.622 10.045 1.00 32.99 C +ATOM 729 CD2 PHE D 103 20.088 4.523 9.799 1.00 30.62 C +ATOM 730 CE1 PHE D 103 17.600 3.297 9.612 1.00 30.95 C +ATOM 731 CE2 PHE D 103 19.994 3.199 9.367 1.00 31.28 C +ATOM 732 CZ PHE D 103 18.749 2.586 9.272 1.00 32.04 C +ATOM 733 N ASP D 104 20.821 5.084 13.016 1.00 36.42 N +ATOM 734 CA ASP D 104 22.111 4.480 13.321 1.00 34.56 C +ATOM 735 C ASP D 104 22.703 3.764 12.128 1.00 33.09 C +ATOM 736 O ASP D 104 22.009 3.038 11.413 1.00 31.59 O +ATOM 737 CB ASP D 104 21.998 3.472 14.468 1.00 35.65 C +ATOM 738 CG ASP D 104 21.584 4.112 15.767 1.00 40.56 C +ATOM 739 OD1 ASP D 104 21.927 5.291 15.976 1.00 43.38 O +ATOM 740 OD2 ASP D 104 20.927 3.432 16.587 1.00 44.83 O +ATOM 741 N VAL D 105 23.996 3.984 11.919 1.00 33.16 N +ATOM 742 CA VAL D 105 24.728 3.323 10.850 1.00 33.16 C +ATOM 743 C VAL D 105 25.995 2.719 11.445 1.00 30.75 C +ATOM 744 O VAL D 105 26.766 3.411 12.108 1.00 30.75 O +ATOM 745 CB VAL D 105 25.136 4.302 9.726 1.00 35.38 C +ATOM 746 CG1 VAL D 105 25.799 3.525 8.587 1.00 33.66 C +ATOM 747 CG2 VAL D 105 23.915 5.056 9.215 1.00 34.20 C +ATOM 748 N SER D 106 26.192 1.424 11.219 1.00 28.48 N +ATOM 749 CA SER D 106 27.377 0.732 11.712 1.00 27.80 C +ATOM 750 C SER D 106 28.346 0.580 10.558 1.00 27.86 C +ATOM 751 O SER D 106 28.012 -0.001 9.527 1.00 28.16 O +ATOM 752 CB SER D 106 27.019 -0.643 12.265 1.00 26.25 C +ATOM 753 OG SER D 106 26.415 -0.520 13.536 1.00 30.64 O +ATOM 754 N LEU D 107 29.546 1.114 10.742 1.00 29.45 N +ATOM 755 CA LEU D 107 30.575 1.068 9.721 1.00 31.04 C +ATOM 756 C LEU D 107 31.688 0.102 10.110 1.00 33.67 C +ATOM 757 O LEU D 107 32.290 0.233 11.178 1.00 35.05 O +ATOM 758 CB LEU D 107 31.154 2.469 9.523 1.00 31.27 C +ATOM 759 CG LEU D 107 32.309 2.603 8.539 1.00 30.89 C +ATOM 760 CD1 LEU D 107 31.909 2.089 7.165 1.00 33.09 C +ATOM 761 CD2 LEU D 107 32.702 4.055 8.480 1.00 35.31 C +ATOM 762 N GLU D 108 31.941 -0.869 9.236 1.00 31.83 N +ATOM 763 CA GLU D 108 32.981 -1.873 9.441 1.00 32.24 C +ATOM 764 C GLU D 108 34.013 -1.779 8.313 1.00 31.14 C +ATOM 765 O GLU D 108 33.701 -2.081 7.158 1.00 27.07 O +ATOM 766 CB GLU D 108 32.352 -3.276 9.449 1.00 35.19 C +ATOM 767 CG GLU D 108 33.342 -4.442 9.340 1.00 32.63 C +ATOM 768 CD GLU D 108 34.260 -4.554 10.541 1.00 31.74 C +ATOM 769 OE1 GLU D 108 33.786 -4.338 11.675 1.00 30.92 O +ATOM 770 OE2 GLU D 108 35.451 -4.871 10.351 1.00 32.35 O +ATOM 771 N VAL D 109 35.233 -1.363 8.645 1.00 28.02 N +ATOM 772 CA VAL D 109 36.291 -1.242 7.645 1.00 30.23 C +ATOM 773 C VAL D 109 37.291 -2.385 7.790 1.00 30.66 C +ATOM 774 O VAL D 109 38.129 -2.357 8.695 1.00 33.68 O +ATOM 775 CB VAL D 109 37.038 0.104 7.787 1.00 29.34 C +ATOM 776 CG1 VAL D 109 38.195 0.172 6.788 1.00 28.73 C +ATOM 777 CG2 VAL D 109 36.063 1.258 7.572 1.00 26.50 C +ATOM 778 N LEU D 110 37.206 -3.374 6.896 1.00 28.15 N +ATOM 779 CA LEU D 110 38.090 -4.544 6.934 1.00 32.65 C +ATOM 780 C LEU D 110 39.563 -4.276 6.662 1.00 35.85 C +ATOM 781 O LEU D 110 39.928 -3.395 5.884 1.00 37.13 O +ATOM 782 CB LEU D 110 37.594 -5.641 5.980 1.00 29.98 C +ATOM 783 CG LEU D 110 36.296 -6.346 6.385 1.00 33.05 C +ATOM 784 CD1 LEU D 110 35.984 -7.448 5.390 1.00 34.91 C +ATOM 785 CD2 LEU D 110 36.433 -6.932 7.795 1.00 33.99 C +ATOM 786 N GLU D 111 40.400 -5.072 7.313 1.00 39.96 N +ATOM 787 CA GLU D 111 41.841 -4.958 7.210 1.00 47.63 C +ATOM 788 C GLU D 111 42.387 -5.427 5.866 1.00 53.68 C +ATOM 789 O GLU D 111 41.826 -6.322 5.231 1.00 53.53 O +ATOM 790 CB GLU D 111 42.484 -5.780 8.323 1.00 49.54 C +ATOM 791 CG GLU D 111 43.787 -5.222 8.851 1.00 49.14 C +ATOM 792 CD GLU D 111 44.573 -6.264 9.609 1.00 48.79 C +ATOM 793 OE1 GLU D 111 45.319 -7.027 8.957 1.00 47.27 O +ATOM 794 OE2 GLU D 111 44.427 -6.330 10.848 1.00 45.73 O +ATOM 795 N HIS D 112 43.497 -4.816 5.455 1.00 59.56 N +ATOM 796 CA HIS D 112 44.181 -5.136 4.203 1.00 67.44 C +ATOM 797 C HIS D 112 44.573 -6.620 4.154 1.00 70.78 C +ATOM 798 O HIS D 112 45.758 -6.939 4.421 1.00 72.74 O +ATOM 799 CB HIS D 112 45.428 -4.251 4.069 1.00 70.46 C +ATOM 800 CG HIS D 112 46.221 -4.482 2.817 1.00 74.11 C +ATOM 801 ND1 HIS D 112 46.736 -5.715 2.474 1.00 74.74 N +ATOM 802 CD2 HIS D 112 46.628 -3.624 1.851 1.00 74.88 C +ATOM 803 CE1 HIS D 112 47.427 -5.607 1.353 1.00 75.25 C +ATOM 804 NE2 HIS D 112 47.378 -4.348 0.955 1.00 76.01 N Added: SwiftApps/modFTdock/input/indata/1zt3-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/1zt3-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/1zt3-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,642 @@ +ATOM 1 N TRP A 172 -39.136 -21.997 24.415 1.00 34.43 N +ATOM 2 CA TRP A 172 -40.108 -20.907 24.729 1.00 34.28 C +ATOM 3 C TRP A 172 -41.403 -21.065 23.944 1.00 33.46 C +ATOM 4 O TRP A 172 -41.385 -21.496 22.789 1.00 33.48 O +ATOM 5 CB TRP A 172 -39.506 -19.534 24.418 1.00 35.12 C +ATOM 6 CG TRP A 172 -38.161 -19.292 25.025 1.00 36.34 C +ATOM 7 CD1 TRP A 172 -37.773 -19.568 26.306 1.00 37.69 C +ATOM 8 CD2 TRP A 172 -37.032 -18.693 24.384 1.00 37.47 C +ATOM 9 NE1 TRP A 172 -36.465 -19.190 26.497 1.00 37.97 N +ATOM 10 CE2 TRP A 172 -35.985 -18.650 25.334 1.00 37.83 C +ATOM 11 CE3 TRP A 172 -36.799 -18.192 23.097 1.00 37.57 C +ATOM 12 CZ2 TRP A 172 -34.725 -18.128 25.037 1.00 37.51 C +ATOM 13 CZ3 TRP A 172 -35.545 -17.671 22.802 1.00 37.85 C +ATOM 14 CH2 TRP A 172 -34.523 -17.646 23.769 1.00 37.43 C +ATOM 15 N LYS A 173 -42.516 -20.697 24.576 1.00 32.18 N +ATOM 16 CA LYS A 173 -43.842 -20.728 23.949 1.00 31.37 C +ATOM 17 C LYS A 173 -44.028 -19.604 22.914 1.00 29.85 C +ATOM 18 O LYS A 173 -44.831 -19.725 21.976 1.00 30.15 O +ATOM 19 CB LYS A 173 -44.935 -20.645 25.024 1.00 31.31 C +ATOM 20 CG LYS A 173 -46.343 -20.964 24.519 1.00 32.53 C +ATOM 21 CD LYS A 173 -47.425 -20.459 25.479 1.00 32.89 C +ATOM 22 CE LYS A 173 -48.818 -20.684 24.901 1.00 33.96 C +ATOM 23 NZ LYS A 173 -49.893 -20.189 25.806 1.00 34.66 N +ATOM 24 N GLU A 174 -43.280 -18.518 23.090 1.00 27.67 N +ATOM 25 CA GLU A 174 -43.337 -17.366 22.191 1.00 25.77 C +ATOM 26 C GLU A 174 -41.922 -17.014 21.728 1.00 23.54 C +ATOM 27 O GLU A 174 -41.381 -15.977 22.138 1.00 23.23 O +ATOM 28 CB GLU A 174 -43.933 -16.148 22.913 1.00 25.76 C +ATOM 29 CG GLU A 174 -45.376 -16.258 23.359 1.00 26.89 C +ATOM 30 CD GLU A 174 -45.777 -15.061 24.206 1.00 27.42 C +ATOM 31 OE1 GLU A 174 -46.102 -14.001 23.639 1.00 29.42 O +ATOM 32 OE2 GLU A 174 -45.756 -15.182 25.445 1.00 30.63 O +ATOM 33 N PRO A 175 -41.313 -17.867 20.872 1.00 21.55 N +ATOM 34 CA PRO A 175 -39.891 -17.705 20.564 1.00 20.10 C +ATOM 35 C PRO A 175 -39.565 -16.385 19.866 1.00 18.58 C +ATOM 36 O PRO A 175 -38.520 -15.781 20.142 1.00 18.18 O +ATOM 37 CB PRO A 175 -39.594 -18.893 19.632 1.00 20.52 C +ATOM 38 CG PRO A 175 -40.909 -19.247 19.043 1.00 19.77 C +ATOM 39 CD PRO A 175 -41.896 -19.015 20.148 1.00 21.28 C +ATOM 40 N CYS A 176 -40.455 -15.942 18.986 1.00 16.73 N +ATOM 41 CA CYS A 176 -40.212 -14.710 18.226 1.00 16.80 C +ATOM 42 C CYS A 176 -40.222 -13.501 19.159 1.00 16.78 C +ATOM 43 O CYS A 176 -39.363 -12.626 19.053 1.00 16.20 O +ATOM 44 CB CYS A 176 -41.244 -14.528 17.116 1.00 16.50 C +ATOM 45 SG CYS A 176 -40.885 -13.084 16.044 1.00 15.20 S +ATOM 46 N ARG A 177 -41.200 -13.469 20.062 1.00 17.53 N +ATOM 47 CA ARG A 177 -41.351 -12.338 20.984 1.00 18.15 C +ATOM 48 C ARG A 177 -40.135 -12.196 21.880 1.00 18.13 C +ATOM 49 O ARG A 177 -39.608 -11.088 22.053 1.00 17.51 O +ATOM 50 CB ARG A 177 -42.634 -12.450 21.807 1.00 18.62 C +ATOM 51 CG ARG A 177 -42.872 -11.237 22.713 1.00 20.72 C +ATOM 52 CD ARG A 177 -44.227 -11.292 23.368 1.00 22.66 C +ATOM 53 NE ARG A 177 -44.366 -10.263 24.391 1.00 24.94 N +ATOM 54 CZ ARG A 177 -43.848 -10.348 25.616 1.00 25.91 C +ATOM 55 NH1 ARG A 177 -43.147 -11.413 25.983 1.00 25.04 N +ATOM 56 NH2 ARG A 177 -44.030 -9.360 26.477 1.00 26.28 N +ATOM 57 N ILE A 178 -39.676 -13.324 22.435 1.00 18.26 N +ATOM 58 CA ILE A 178 -38.446 -13.332 23.221 1.00 18.88 C +ATOM 59 C ILE A 178 -37.252 -12.846 22.394 1.00 18.95 C +ATOM 60 O ILE A 178 -36.503 -11.962 22.843 1.00 19.62 O +ATOM 61 CB ILE A 178 -38.154 -14.721 23.862 1.00 18.59 C +ATOM 62 CG1 ILE A 178 -39.319 -15.180 24.759 1.00 18.73 C +ATOM 63 CG2 ILE A 178 -36.838 -14.687 24.621 1.00 19.59 C +ATOM 64 CD1 ILE A 178 -39.754 -14.186 25.865 1.00 20.15 C +ATOM 65 N GLU A 179 -37.088 -13.386 21.187 1.00 19.21 N +ATOM 66 CA GLU A 179 -35.993 -12.950 20.327 1.00 19.54 C +ATOM 67 C GLU A 179 -36.080 -11.449 20.043 1.00 19.29 C +ATOM 68 O GLU A 179 -35.075 -10.745 20.146 1.00 19.32 O +ATOM 69 CB GLU A 179 -35.948 -13.726 19.020 1.00 19.69 C +ATOM 70 CG GLU A 179 -34.670 -13.469 18.245 1.00 21.79 C +ATOM 71 CD GLU A 179 -34.657 -14.096 16.879 1.00 24.88 C +ATOM 72 OE1 GLU A 179 -33.547 -14.390 16.389 1.00 26.52 O +ATOM 73 OE2 GLU A 179 -35.742 -14.303 16.292 1.00 27.10 O +ATOM 74 N LEU A 180 -37.277 -10.979 19.702 1.00 19.29 N +ATOM 75 CA LEU A 180 -37.497 -9.560 19.389 1.00 19.26 C +ATOM 76 C LEU A 180 -36.979 -8.650 20.508 1.00 19.08 C +ATOM 77 O LEU A 180 -36.226 -7.704 20.241 1.00 18.14 O +ATOM 78 CB LEU A 180 -38.974 -9.273 19.106 1.00 19.11 C +ATOM 79 CG LEU A 180 -39.319 -7.798 18.847 1.00 19.07 C +ATOM 80 CD1 LEU A 180 -38.510 -7.233 17.675 1.00 21.29 C +ATOM 81 CD2 LEU A 180 -40.830 -7.649 18.614 1.00 19.74 C +ATOM 82 N TYR A 181 -37.358 -8.954 21.751 1.00 19.10 N +ATOM 83 CA TYR A 181 -36.842 -8.229 22.914 1.00 19.73 C +ATOM 84 C TYR A 181 -35.318 -8.230 22.972 1.00 19.86 C +ATOM 85 O TYR A 181 -34.698 -7.175 23.148 1.00 19.98 O +ATOM 86 CB TYR A 181 -37.467 -8.751 24.227 1.00 20.16 C +ATOM 87 CG TYR A 181 -38.814 -8.123 24.527 1.00 20.84 C +ATOM 88 CD1 TYR A 181 -38.915 -7.004 25.358 1.00 21.48 C +ATOM 89 CD2 TYR A 181 -39.990 -8.645 23.977 1.00 20.81 C +ATOM 90 CE1 TYR A 181 -40.147 -6.422 25.633 1.00 22.34 C +ATOM 91 CE2 TYR A 181 -41.230 -8.068 24.244 1.00 21.91 C +ATOM 92 CZ TYR A 181 -41.300 -6.959 25.082 1.00 22.24 C +ATOM 93 OH TYR A 181 -42.516 -6.373 25.347 1.00 22.89 O +ATOM 94 N ARG A 182 -34.717 -9.406 22.797 1.00 19.68 N +ATOM 95 CA ARG A 182 -33.268 -9.544 22.849 1.00 20.05 C +ATOM 96 C ARG A 182 -32.593 -8.739 21.743 1.00 19.42 C +ATOM 97 O ARG A 182 -31.576 -8.072 21.990 1.00 19.22 O +ATOM 98 CB ARG A 182 -32.874 -11.019 22.769 1.00 20.66 C +ATOM 99 CG ARG A 182 -33.592 -11.864 23.806 1.00 23.33 C +ATOM 100 CD ARG A 182 -32.691 -12.324 24.917 1.00 31.08 C +ATOM 101 NE ARG A 182 -32.238 -13.693 24.676 1.00 34.53 N +ATOM 102 CZ ARG A 182 -32.720 -14.777 25.285 1.00 36.34 C +ATOM 103 NH1 ARG A 182 -33.684 -14.685 26.205 1.00 37.09 N +ATOM 104 NH2 ARG A 182 -32.223 -15.966 24.975 1.00 37.59 N +ATOM 105 N VAL A 183 -33.164 -8.795 20.537 1.00 18.69 N +ATOM 106 CA VAL A 183 -32.586 -8.101 19.374 1.00 18.83 C +ATOM 107 C VAL A 183 -32.670 -6.583 19.560 1.00 18.48 C +ATOM 108 O VAL A 183 -31.693 -5.875 19.310 1.00 18.13 O +ATOM 109 CB VAL A 183 -33.244 -8.550 18.037 1.00 18.63 C +ATOM 110 CG1 VAL A 183 -32.873 -7.606 16.895 1.00 19.70 C +ATOM 111 CG2 VAL A 183 -32.804 -9.975 17.689 1.00 18.64 C +ATOM 112 N VAL A 184 -33.822 -6.106 20.034 1.00 18.63 N +ATOM 113 CA VAL A 184 -34.017 -4.667 20.304 1.00 19.03 C +ATOM 114 C VAL A 184 -32.987 -4.148 21.330 1.00 19.24 C +ATOM 115 O VAL A 184 -32.377 -3.081 21.136 1.00 18.61 O +ATOM 116 CB VAL A 184 -35.483 -4.352 20.725 1.00 19.12 C +ATOM 117 CG1 VAL A 184 -35.606 -2.937 21.314 1.00 20.37 C +ATOM 118 CG2 VAL A 184 -36.407 -4.486 19.532 1.00 18.87 C +ATOM 119 N GLU A 185 -32.767 -4.919 22.395 1.00 19.25 N +ATOM 120 CA GLU A 185 -31.793 -4.545 23.423 1.00 20.57 C +ATOM 121 C GLU A 185 -30.359 -4.498 22.870 1.00 20.10 C +ATOM 122 O GLU A 185 -29.614 -3.546 23.140 1.00 19.76 O +ATOM 123 CB GLU A 185 -31.888 -5.488 24.630 1.00 20.14 C +ATOM 124 CG GLU A 185 -30.953 -5.110 25.786 1.00 22.36 C +ATOM 125 CD GLU A 185 -31.034 -6.061 26.975 1.00 22.80 C +ATOM 126 OE1 GLU A 185 -31.853 -7.002 26.951 1.00 27.18 O +ATOM 127 OE2 GLU A 185 -30.273 -5.858 27.948 1.00 27.24 O +ATOM 128 N SER A 186 -29.973 -5.517 22.106 1.00 19.89 N +ATOM 129 CA SER A 186 -28.627 -5.563 21.508 1.00 20.02 C +ATOM 130 C SER A 186 -28.397 -4.432 20.505 1.00 19.66 C +ATOM 131 O SER A 186 -27.329 -3.816 20.487 1.00 18.81 O +ATOM 132 CB SER A 186 -28.373 -6.909 20.830 1.00 20.39 C +ATOM 133 OG SER A 186 -28.358 -7.942 21.792 1.00 23.17 O +ATOM 134 N LEU A 187 -29.406 -4.171 19.676 1.00 19.21 N +ATOM 135 CA LEU A 187 -29.344 -3.070 18.706 1.00 19.74 C +ATOM 136 C LEU A 187 -29.183 -1.718 19.393 1.00 19.37 C +ATOM 137 O LEU A 187 -28.362 -0.905 18.973 1.00 19.34 O +ATOM 138 CB LEU A 187 -30.593 -3.047 17.833 1.00 19.81 C +ATOM 139 CG LEU A 187 -30.623 -3.969 16.619 1.00 21.86 C +ATOM 140 CD1 LEU A 187 -32.032 -3.991 16.073 1.00 24.65 C +ATOM 141 CD2 LEU A 187 -29.626 -3.520 15.538 1.00 24.78 C +ATOM 142 N ALA A 188 -29.985 -1.490 20.431 1.00 19.16 N +ATOM 143 CA ALA A 188 -29.906 -0.273 21.249 1.00 19.62 C +ATOM 144 C ALA A 188 -28.484 -0.122 21.790 1.00 19.76 C +ATOM 145 O ALA A 188 -27.877 0.958 21.708 1.00 19.78 O +ATOM 146 CB ALA A 188 -30.914 -0.334 22.398 1.00 19.86 C +ATOM 147 N LYS A 189 -27.943 -1.219 22.313 1.00 19.72 N +ATOM 148 CA LYS A 189 -26.592 -1.220 22.859 1.00 19.83 C +ATOM 149 C LYS A 189 -25.535 -0.931 21.783 1.00 19.51 C +ATOM 150 O LYS A 189 -24.637 -0.121 22.008 1.00 19.20 O +ATOM 151 CB LYS A 189 -26.300 -2.544 23.584 1.00 19.67 C +ATOM 152 CG LYS A 189 -24.980 -2.573 24.353 1.00 21.18 C +ATOM 153 CD LYS A 189 -24.991 -1.568 25.500 1.00 23.97 C +ATOM 154 CE LYS A 189 -23.703 -1.601 26.298 1.00 25.23 C +ATOM 155 NZ LYS A 189 -23.673 -0.401 27.204 1.00 25.98 N +ATOM 156 N ALA A 190 -25.651 -1.581 20.618 1.00 19.73 N +ATOM 157 CA ALA A 190 -24.689 -1.402 19.528 1.00 20.13 C +ATOM 158 C ALA A 190 -24.697 0.033 19.011 1.00 20.31 C +ATOM 159 O ALA A 190 -23.654 0.575 18.652 1.00 20.46 O +ATOM 160 CB ALA A 190 -24.972 -2.370 18.386 1.00 20.01 C +ATOM 161 N GLN A 191 -25.879 0.633 18.973 1.00 20.86 N +ATOM 162 CA GLN A 191 -26.024 2.004 18.459 1.00 22.02 C +ATOM 163 C GLN A 191 -25.233 3.028 19.288 1.00 21.64 C +ATOM 164 O GLN A 191 -24.787 4.046 18.754 1.00 21.77 O +ATOM 165 CB GLN A 191 -27.500 2.393 18.374 1.00 22.25 C +ATOM 166 CG GLN A 191 -28.199 1.933 17.086 1.00 25.97 C +ATOM 167 CD GLN A 191 -27.735 2.695 15.851 1.00 30.74 C +ATOM 168 OE1 GLN A 191 -28.111 3.853 15.635 1.00 33.63 O +ATOM 169 NE2 GLN A 191 -26.910 2.047 15.035 1.00 32.02 N +ATOM 170 N GLU A 192 -25.051 2.742 20.577 1.00 21.46 N +ATOM 171 CA GLU A 192 -24.277 3.615 21.482 1.00 21.62 C +ATOM 172 C GLU A 192 -22.849 3.877 20.973 1.00 21.84 C +ATOM 173 O GLU A 192 -22.341 5.002 21.037 1.00 20.87 O +ATOM 174 CB GLU A 192 -24.256 3.024 22.902 1.00 21.24 C +ATOM 175 CG GLU A 192 -25.645 2.977 23.531 1.00 21.99 C +ATOM 176 CD GLU A 192 -25.689 2.475 24.965 1.00 22.37 C +ATOM 177 OE1 GLU A 192 -24.668 1.990 25.496 1.00 22.90 O +ATOM 178 OE2 GLU A 192 -26.783 2.565 25.568 1.00 25.93 O +ATOM 179 N THR A 193 -22.217 2.832 20.450 1.00 22.20 N +ATOM 180 CA THR A 193 -20.820 2.910 20.040 1.00 23.10 C +ATOM 181 C THR A 193 -20.673 2.774 18.526 1.00 24.43 C +ATOM 182 O THR A 193 -19.560 2.654 18.023 1.00 23.91 O +ATOM 183 CB THR A 193 -20.006 1.791 20.694 1.00 23.11 C +ATOM 184 OG1 THR A 193 -20.622 0.538 20.378 1.00 22.12 O +ATOM 185 CG2 THR A 193 -19.949 1.957 22.207 1.00 22.37 C +ATOM 186 N SER A 194 -21.792 2.789 17.806 1.00 26.17 N +ATOM 187 CA SER A 194 -21.785 2.502 16.374 1.00 28.66 C +ATOM 188 C SER A 194 -20.976 3.535 15.607 1.00 30.43 C +ATOM 189 O SER A 194 -21.196 4.739 15.764 1.00 30.63 O +ATOM 190 CB SER A 194 -23.206 2.411 15.808 1.00 28.78 C +ATOM 191 OG SER A 194 -23.179 2.059 14.427 1.00 29.52 O +ATOM 192 N GLY A 195 -20.043 3.045 14.791 1.00 32.35 N +ATOM 193 CA GLY A 195 -19.179 3.890 13.965 1.00 34.45 C +ATOM 194 C GLY A 195 -19.806 4.280 12.636 1.00 36.12 C +ATOM 195 O GLY A 195 -19.172 4.964 11.819 1.00 36.57 O +ATOM 196 N GLU A 196 -21.044 3.837 12.413 1.00 37.26 N +ATOM 197 CA GLU A 196 -21.822 4.225 11.232 1.00 38.38 C +ATOM 198 C GLU A 196 -23.273 4.535 11.614 1.00 38.59 C +ATOM 199 O GLU A 196 -23.676 4.309 12.751 1.00 38.87 O +ATOM 200 CB GLU A 196 -21.760 3.138 10.144 1.00 38.61 C +ATOM 201 CG GLU A 196 -22.511 1.843 10.474 1.00 40.20 C +ATOM 202 CD GLU A 196 -21.760 0.951 11.457 1.00 42.45 C +ATOM 203 OE1 GLU A 196 -22.418 0.352 12.338 0.50 42.52 O +ATOM 204 OE2 GLU A 196 -20.513 0.856 11.354 1.00 43.56 O +ATOM 205 N GLU A 197 -24.042 5.069 10.667 1.00 38.83 N +ATOM 206 CA GLU A 197 -25.464 5.336 10.878 1.00 38.88 C +ATOM 207 C GLU A 197 -26.270 4.317 10.074 1.00 38.33 C +ATOM 208 O GLU A 197 -26.494 4.507 8.877 1.00 38.98 O +ATOM 209 CB GLU A 197 -25.821 6.766 10.445 1.00 39.07 C +ATOM 210 CG GLU A 197 -27.249 7.230 10.822 1.00 40.48 C +ATOM 211 CD GLU A 197 -27.277 8.390 11.820 1.00 42.86 C +ATOM 212 OE1 GLU A 197 -26.348 9.232 11.792 1.00 43.40 O +ATOM 213 OE2 GLU A 197 -28.241 8.474 12.621 1.00 43.51 O +ATOM 214 N ILE A 198 -26.691 3.231 10.722 1.00 37.57 N +ATOM 215 CA ILE A 198 -27.447 2.184 10.020 1.00 36.57 C +ATOM 216 C ILE A 198 -28.889 2.619 9.745 1.00 35.29 C +ATOM 217 O ILE A 198 -29.574 3.164 10.616 1.00 36.01 O +ATOM 218 CB ILE A 198 -27.389 0.782 10.718 1.00 36.84 C +ATOM 219 CG1 ILE A 198 -28.057 0.812 12.097 1.00 37.53 C +ATOM 220 CG2 ILE A 198 -25.941 0.265 10.792 1.00 36.74 C +ATOM 221 CD1 ILE A 198 -28.621 -0.537 12.539 1.00 38.43 C +ATOM 222 N SER A 199 -29.326 2.382 8.516 1.00 33.45 N +ATOM 223 CA SER A 199 -30.640 2.811 8.054 1.00 31.29 C +ATOM 224 C SER A 199 -31.578 1.620 7.892 1.00 29.24 C +ATOM 225 O SER A 199 -32.790 1.798 7.759 1.00 28.70 O +ATOM 226 CB SER A 199 -30.505 3.555 6.726 1.00 31.53 C +ATOM 227 OG SER A 199 -29.665 2.841 5.830 1.00 33.46 O +ATOM 228 N LYS A 200 -30.993 0.420 7.874 1.00 26.73 N +ATOM 229 CA LYS A 200 -31.745 -0.835 7.833 1.00 24.20 C +ATOM 230 C LYS A 200 -31.208 -1.820 8.880 1.00 23.56 C +ATOM 231 O LYS A 200 -30.014 -1.861 9.160 1.00 23.03 O +ATOM 232 CB LYS A 200 -31.682 -1.479 6.440 1.00 24.17 C +ATOM 233 CG LYS A 200 -32.216 -0.609 5.294 1.00 23.41 C +ATOM 234 CD LYS A 200 -32.263 -1.375 3.981 1.00 22.93 C +ATOM 235 CE LYS A 200 -32.479 -0.443 2.786 1.00 21.93 C +ATOM 236 NZ LYS A 200 -31.331 0.512 2.647 1.00 19.78 N +ATOM 237 N PHE A 201 -32.102 -2.617 9.451 1.00 22.85 N +ATOM 238 CA PHE A 201 -31.709 -3.640 10.421 1.00 22.70 C +ATOM 239 C PHE A 201 -32.776 -4.707 10.497 1.00 22.14 C +ATOM 240 O PHE A 201 -33.918 -4.481 10.100 1.00 21.35 O +ATOM 241 CB PHE A 201 -31.465 -3.033 11.816 1.00 23.03 C +ATOM 242 CG PHE A 201 -32.527 -2.059 12.254 1.00 24.17 C +ATOM 243 CD1 PHE A 201 -32.345 -0.689 12.083 1.00 25.93 C +ATOM 244 CD2 PHE A 201 -33.708 -2.505 12.838 1.00 24.45 C +ATOM 245 CE1 PHE A 201 -33.325 0.217 12.483 1.00 26.21 C +ATOM 246 CE2 PHE A 201 -34.694 -1.603 13.243 1.00 24.70 C +ATOM 247 CZ PHE A 201 -34.501 -0.237 13.057 1.00 25.38 C +ATOM 248 N TYR A 202 -32.410 -5.870 11.024 1.00 22.49 N +ATOM 249 CA TYR A 202 -33.382 -6.937 11.146 1.00 22.70 C +ATOM 250 C TYR A 202 -33.967 -7.006 12.549 1.00 22.40 C +ATOM 251 O TYR A 202 -33.256 -7.283 13.524 1.00 22.87 O +ATOM 252 CB TYR A 202 -32.802 -8.292 10.713 1.00 23.34 C +ATOM 253 CG TYR A 202 -33.761 -9.446 10.948 1.00 23.98 C +ATOM 254 CD1 TYR A 202 -33.433 -10.488 11.816 1.00 24.52 C +ATOM 255 CD2 TYR A 202 -35.011 -9.476 10.324 1.00 23.91 C +ATOM 256 CE1 TYR A 202 -34.317 -11.546 12.043 1.00 24.21 C +ATOM 257 CE2 TYR A 202 -35.907 -10.524 10.551 1.00 23.70 C +ATOM 258 CZ TYR A 202 -35.546 -11.561 11.403 1.00 24.61 C +ATOM 259 OH TYR A 202 -36.433 -12.599 11.626 1.00 24.07 O +ATOM 260 N LEU A 203 -35.259 -6.706 12.635 1.00 21.56 N +ATOM 261 CA LEU A 203 -36.079 -6.988 13.807 1.00 21.32 C +ATOM 262 C LEU A 203 -36.996 -8.155 13.453 1.00 20.36 C +ATOM 263 O LEU A 203 -37.763 -8.042 12.499 1.00 19.87 O +ATOM 264 CB LEU A 203 -36.957 -5.782 14.148 1.00 21.26 C +ATOM 265 CG LEU A 203 -36.545 -4.765 15.215 1.00 23.82 C +ATOM 266 CD1 LEU A 203 -35.059 -4.627 15.328 1.00 23.04 C +ATOM 267 CD2 LEU A 203 -37.210 -3.428 14.951 1.00 22.01 C +ATOM 268 N PRO A 204 -36.946 -9.257 14.232 1.00 19.91 N +ATOM 269 CA PRO A 204 -37.883 -10.360 14.000 1.00 19.27 C +ATOM 270 C PRO A 204 -39.312 -9.861 13.831 1.00 18.61 C +ATOM 271 O PRO A 204 -39.777 -9.035 14.618 1.00 18.10 O +ATOM 272 CB PRO A 204 -37.765 -11.194 15.284 1.00 19.29 C +ATOM 273 CG PRO A 204 -36.357 -10.992 15.708 1.00 19.73 C +ATOM 274 CD PRO A 204 -36.032 -9.548 15.352 1.00 19.59 C +ATOM 275 N ASN A 205 -39.969 -10.324 12.769 1.00 17.90 N +ATOM 276 CA ASN A 205 -41.355 -9.968 12.495 1.00 18.10 C +ATOM 277 C ASN A 205 -42.247 -11.006 13.181 1.00 18.05 C +ATOM 278 O ASN A 205 -42.411 -12.113 12.655 1.00 17.42 O +ATOM 279 CB ASN A 205 -41.669 -9.983 10.987 1.00 18.39 C +ATOM 280 CG ASN A 205 -40.668 -9.188 10.107 1.00 18.94 C +ATOM 281 OD1 ASN A 205 -40.832 -9.161 8.884 1.00 22.20 O +ATOM 282 ND2 ASN A 205 -39.657 -8.569 10.698 1.00 19.63 N +ATOM 283 N CYS A 206 -42.818 -10.663 14.336 1.00 17.84 N +ATOM 284 CA CYS A 206 -43.625 -11.622 15.106 1.00 17.83 C +ATOM 285 C CYS A 206 -45.118 -11.479 14.845 1.00 18.36 C +ATOM 286 O CYS A 206 -45.623 -10.361 14.652 1.00 18.35 O +ATOM 287 CB CYS A 206 -43.376 -11.456 16.612 1.00 17.73 C +ATOM 288 SG CYS A 206 -41.654 -11.522 17.121 1.00 17.34 S +ATOM 289 N ASN A 207 -45.824 -12.610 14.844 1.00 18.54 N +ATOM 290 CA ASN A 207 -47.282 -12.593 14.923 1.00 18.73 C +ATOM 291 C ASN A 207 -47.713 -12.386 16.381 1.00 19.14 C +ATOM 292 O ASN A 207 -46.874 -12.401 17.293 1.00 19.85 O +ATOM 293 CB ASN A 207 -47.916 -13.848 14.274 1.00 18.43 C +ATOM 294 CG ASN A 207 -47.609 -15.147 15.029 1.00 18.66 C +ATOM 295 OD1 ASN A 207 -47.546 -15.180 16.254 1.00 18.06 O +ATOM 296 ND2 ASN A 207 -47.442 -16.236 14.278 1.00 19.03 N +ATOM 297 N LYS A 208 -49.012 -12.189 16.590 1.00 19.70 N +ATOM 298 CA LYS A 208 -49.580 -11.893 17.916 1.00 20.21 C +ATOM 299 C LYS A 208 -49.491 -13.063 18.913 1.00 20.08 C +ATOM 300 O LYS A 208 -49.635 -12.860 20.118 1.00 20.32 O +ATOM 301 CB LYS A 208 -51.043 -11.459 17.773 1.00 20.47 C +ATOM 302 CG LYS A 208 -51.935 -12.512 17.115 1.00 20.38 C +ATOM 303 CD LYS A 208 -53.396 -12.222 17.359 1.00 22.10 C +ATOM 304 CE LYS A 208 -54.291 -13.221 16.642 1.00 20.94 C +ATOM 305 NZ LYS A 208 -54.187 -14.607 17.174 1.00 20.34 N +ATOM 306 N ASN A 209 -49.280 -14.275 18.399 1.00 19.57 N +ATOM 307 CA ASN A 209 -49.083 -15.465 19.242 1.00 19.88 C +ATOM 308 C ASN A 209 -47.633 -15.638 19.679 1.00 19.32 C +ATOM 309 O ASN A 209 -47.304 -16.579 20.421 1.00 19.64 O +ATOM 310 CB ASN A 209 -49.550 -16.730 18.508 1.00 19.75 C +ATOM 311 CG ASN A 209 -50.776 -16.486 17.661 1.00 21.13 C +ATOM 312 OD1 ASN A 209 -50.811 -16.838 16.468 1.00 23.95 O +ATOM 313 ND2 ASN A 209 -51.778 -15.856 18.251 1.00 17.82 N +ATOM 314 N GLY A 210 -46.771 -14.739 19.205 1.00 19.30 N +ATOM 315 CA GLY A 210 -45.353 -14.753 19.536 1.00 18.56 C +ATOM 316 C GLY A 210 -44.513 -15.719 18.713 1.00 18.50 C +ATOM 317 O GLY A 210 -43.364 -15.993 19.062 1.00 17.75 O +ATOM 318 N PHE A 211 -45.091 -16.250 17.638 1.00 18.35 N +ATOM 319 CA PHE A 211 -44.325 -16.984 16.632 1.00 18.84 C +ATOM 320 C PHE A 211 -43.945 -16.063 15.478 1.00 18.62 C +ATOM 321 O PHE A 211 -44.212 -14.856 15.535 1.00 19.06 O +ATOM 322 CB PHE A 211 -45.076 -18.238 16.160 1.00 19.06 C +ATOM 323 CG PHE A 211 -44.992 -19.373 17.138 1.00 19.94 C +ATOM 324 CD1 PHE A 211 -43.859 -20.175 17.187 1.00 20.48 C +ATOM 325 CD2 PHE A 211 -46.021 -19.604 18.044 1.00 22.97 C +ATOM 326 CE1 PHE A 211 -43.759 -21.224 18.112 1.00 20.71 C +ATOM 327 CE2 PHE A 211 -45.933 -20.643 18.976 1.00 21.29 C +ATOM 328 CZ PHE A 211 -44.800 -21.450 19.005 1.00 20.87 C +ATOM 329 N TYR A 212 -43.285 -16.622 14.463 1.00 18.56 N +ATOM 330 CA TYR A 212 -42.776 -15.843 13.332 1.00 18.09 C +ATOM 331 C TYR A 212 -43.769 -15.774 12.184 1.00 18.14 C +ATOM 332 O TYR A 212 -44.280 -16.800 11.744 1.00 18.14 O +ATOM 333 CB TYR A 212 -41.449 -16.441 12.834 1.00 18.04 C +ATOM 334 CG TYR A 212 -40.365 -16.422 13.885 1.00 17.57 C +ATOM 335 CD1 TYR A 212 -40.225 -17.467 14.801 1.00 17.30 C +ATOM 336 CD2 TYR A 212 -39.485 -15.344 13.975 1.00 17.57 C +ATOM 337 CE1 TYR A 212 -39.221 -17.434 15.777 1.00 18.28 C +ATOM 338 CE2 TYR A 212 -38.501 -15.298 14.936 1.00 14.95 C +ATOM 339 CZ TYR A 212 -38.363 -16.344 15.829 1.00 16.70 C +ATOM 340 OH TYR A 212 -37.375 -16.282 16.786 1.00 18.15 O +ATOM 341 N HIS A 213 -44.028 -14.572 11.673 1.00 17.97 N +ATOM 342 CA HIS A 213 -44.678 -14.469 10.366 1.00 18.14 C +ATOM 343 C HIS A 213 -43.859 -15.264 9.348 1.00 17.86 C +ATOM 344 O HIS A 213 -42.635 -15.316 9.449 1.00 17.33 O +ATOM 345 CB HIS A 213 -44.804 -13.005 9.931 1.00 18.71 C +ATOM 346 CG HIS A 213 -45.862 -12.251 10.673 1.00 19.72 C +ATOM 347 ND1 HIS A 213 -47.197 -12.594 10.619 1.00 20.89 N +ATOM 348 CD2 HIS A 213 -45.784 -11.167 11.480 1.00 20.60 C +ATOM 349 CE1 HIS A 213 -47.894 -11.761 11.371 1.00 21.53 C +ATOM 350 NE2 HIS A 213 -47.060 -10.888 11.907 1.00 21.26 N +ATOM 351 N SER A 214 -44.533 -15.922 8.401 1.00 17.92 N +ATOM 352 CA SER A 214 -43.835 -16.637 7.317 1.00 19.10 C +ATOM 353 C SER A 214 -42.890 -15.727 6.548 1.00 18.52 C +ATOM 354 O SER A 214 -41.765 -16.093 6.253 1.00 18.58 O +ATOM 355 CB SER A 214 -44.830 -17.290 6.356 1.00 19.46 C +ATOM 356 OG SER A 214 -45.258 -18.530 6.890 1.00 23.83 O +ATOM 357 N ARG A 215 -43.344 -14.515 6.254 1.00 18.42 N +ATOM 358 CA ARG A 215 -42.464 -13.537 5.651 1.00 18.42 C +ATOM 359 C ARG A 215 -41.666 -12.820 6.745 1.00 17.97 C +ATOM 360 O ARG A 215 -42.240 -12.338 7.726 1.00 19.04 O +ATOM 361 CB ARG A 215 -43.275 -12.525 4.835 1.00 18.99 C +ATOM 362 CG ARG A 215 -42.421 -11.489 4.100 1.00 19.30 C +ATOM 363 CD ARG A 215 -43.301 -10.359 3.594 1.00 20.84 C +ATOM 364 NE ARG A 215 -43.854 -9.573 4.697 1.00 20.02 N +ATOM 365 CZ ARG A 215 -44.864 -8.706 4.586 1.00 22.74 C +ATOM 366 NH1 ARG A 215 -45.467 -8.510 3.418 1.00 23.51 N +ATOM 367 NH2 ARG A 215 -45.282 -8.040 5.656 1.00 23.60 N +ATOM 368 N GLN A 216 -40.348 -12.761 6.573 1.00 17.58 N +ATOM 369 CA GLN A 216 -39.487 -11.936 7.424 1.00 16.83 C +ATOM 370 C GLN A 216 -38.810 -10.882 6.577 1.00 16.91 C +ATOM 371 O GLN A 216 -38.184 -11.199 5.561 1.00 16.53 O +ATOM 372 CB GLN A 216 -38.417 -12.769 8.150 1.00 16.94 C +ATOM 373 CG GLN A 216 -38.974 -13.769 9.161 1.00 16.52 C +ATOM 374 CD GLN A 216 -39.640 -13.095 10.339 1.00 16.09 C +ATOM 375 OE1 GLN A 216 -39.027 -12.252 11.022 1.00 15.64 O +ATOM 376 NE2 GLN A 216 -40.893 -13.457 10.589 1.00 14.49 N +ATOM 377 N CYS A 217 -38.912 -9.625 7.014 1.00 16.94 N +ATOM 378 CA CYS A 217 -38.270 -8.525 6.294 1.00 16.91 C +ATOM 379 C CYS A 217 -37.384 -7.678 7.198 1.00 16.97 C +ATOM 380 O CYS A 217 -37.647 -7.538 8.411 1.00 16.75 O +ATOM 381 CB CYS A 217 -39.320 -7.622 5.639 1.00 17.22 C +ATOM 382 SG CYS A 217 -40.478 -8.464 4.537 1.00 18.26 S +ATOM 383 N GLU A 218 -36.340 -7.121 6.592 1.00 16.79 N +ATOM 384 CA GLU A 218 -35.546 -6.069 7.216 1.00 18.15 C +ATOM 385 C GLU A 218 -36.422 -4.859 7.451 1.00 17.77 C +ATOM 386 O GLU A 218 -37.338 -4.577 6.663 1.00 17.55 O +ATOM 387 CB GLU A 218 -34.398 -5.636 6.313 1.00 18.22 C +ATOM 388 CG GLU A 218 -33.270 -6.626 6.156 1.00 21.61 C +ATOM 389 CD GLU A 218 -32.200 -6.090 5.225 1.00 24.73 C +ATOM 390 OE1 GLU A 218 -31.004 -6.339 5.502 1.00 27.34 O +ATOM 391 OE2 GLU A 218 -32.550 -5.418 4.222 1.00 24.10 O +ATOM 392 N THR A 219 -36.117 -4.151 8.538 1.00 17.82 N +ATOM 393 CA THR A 219 -36.720 -2.866 8.838 1.00 17.58 C +ATOM 394 C THR A 219 -35.901 -1.783 8.146 1.00 17.52 C +ATOM 395 O THR A 219 -34.672 -1.758 8.234 1.00 17.92 O +ATOM 396 CB THR A 219 -36.804 -2.634 10.359 1.00 17.50 C +ATOM 397 OG1 THR A 219 -37.707 -3.591 10.934 1.00 17.69 O +ATOM 398 CG2 THR A 219 -37.329 -1.232 10.673 1.00 16.71 C +ATOM 399 N SER A 220 -36.592 -0.905 7.431 1.00 18.10 N +ATOM 400 CA SER A 220 -35.936 0.177 6.727 1.00 18.76 C +ATOM 401 C SER A 220 -36.502 1.537 7.156 1.00 18.01 C +ATOM 402 O SER A 220 -37.695 1.670 7.389 1.00 17.11 O +ATOM 403 CB SER A 220 -36.107 -0.010 5.226 1.00 19.04 C +ATOM 404 OG SER A 220 -35.857 1.208 4.553 1.00 22.71 O +ATOM 405 N MET A 221 -35.635 2.537 7.222 1.00 18.98 N +ATOM 406 CA MET A 221 -36.036 3.903 7.580 1.00 21.13 C +ATOM 407 C MET A 221 -35.385 4.915 6.636 1.00 20.38 C +ATOM 408 O MET A 221 -35.168 6.072 7.002 1.00 19.76 O +ATOM 409 CB MET A 221 -35.626 4.216 9.027 1.00 20.63 C +ATOM 410 CG MET A 221 -36.286 3.349 10.096 1.00 22.82 C +ATOM 411 SD MET A 221 -35.787 3.830 11.765 1.00 26.61 S +ATOM 412 CE MET A 221 -36.444 5.490 11.874 1.00 25.56 C +ATOM 413 N ASP A 222 -35.073 4.478 5.418 1.00 20.40 N +ATOM 414 CA ASP A 222 -34.270 5.298 4.508 1.00 20.45 C +ATOM 415 C ASP A 222 -34.877 5.473 3.121 1.00 20.58 C +ATOM 416 O ASP A 222 -34.208 5.977 2.228 1.00 20.57 O +ATOM 417 CB ASP A 222 -32.856 4.725 4.386 1.00 20.76 C +ATOM 418 CG ASP A 222 -32.849 3.279 3.882 1.00 20.03 C +ATOM 419 OD1 ASP A 222 -31.774 2.660 3.934 1.00 22.26 O +ATOM 420 OD2 ASP A 222 -33.911 2.768 3.445 1.00 21.53 O +ATOM 421 N GLY A 223 -36.125 5.041 2.943 1.00 20.55 N +ATOM 422 CA GLY A 223 -36.815 5.170 1.658 1.00 21.58 C +ATOM 423 C GLY A 223 -36.480 4.069 0.668 1.00 21.57 C +ATOM 424 O GLY A 223 -36.861 4.134 -0.498 1.00 21.96 O +ATOM 425 N GLU A 224 -35.766 3.053 1.141 1.00 21.38 N +ATOM 426 CA GLU A 224 -35.450 1.891 0.324 1.00 21.72 C +ATOM 427 C GLU A 224 -36.126 0.661 0.914 1.00 21.14 C +ATOM 428 O GLU A 224 -36.255 0.536 2.135 1.00 20.93 O +ATOM 429 CB GLU A 224 -33.948 1.673 0.260 1.00 22.09 C +ATOM 430 CG GLU A 224 -33.177 2.741 -0.500 1.00 24.47 C +ATOM 431 CD GLU A 224 -31.682 2.620 -0.299 1.00 28.43 C +ATOM 432 OE1 GLU A 224 -31.207 1.510 0.038 1.00 30.43 O +ATOM 433 OE2 GLU A 224 -30.980 3.638 -0.483 1.00 31.11 O +ATOM 434 N ALA A 225 -36.575 -0.234 0.039 1.00 20.59 N +ATOM 435 CA ALA A 225 -37.186 -1.492 0.463 1.00 20.30 C +ATOM 436 C ALA A 225 -36.151 -2.361 1.188 1.00 19.93 C +ATOM 437 O ALA A 225 -35.013 -2.494 0.724 1.00 19.69 O +ATOM 438 CB ALA A 225 -37.732 -2.226 -0.750 1.00 20.55 C +ATOM 439 N GLY A 226 -36.537 -2.937 2.327 1.00 19.20 N +ATOM 440 CA GLY A 226 -35.705 -3.955 2.980 1.00 18.85 C +ATOM 441 C GLY A 226 -35.821 -5.315 2.294 1.00 18.42 C +ATOM 442 O GLY A 226 -36.804 -5.578 1.596 1.00 18.31 O +ATOM 443 N LEU A 227 -34.808 -6.166 2.487 1.00 18.11 N +ATOM 444 CA LEU A 227 -34.812 -7.532 1.968 1.00 17.92 C +ATOM 445 C LEU A 227 -35.853 -8.348 2.738 1.00 17.33 C +ATOM 446 O LEU A 227 -36.002 -8.161 3.945 1.00 16.48 O +ATOM 447 CB LEU A 227 -33.431 -8.175 2.139 1.00 18.26 C +ATOM 448 CG LEU A 227 -32.270 -7.657 1.283 1.00 20.78 C +ATOM 449 CD1 LEU A 227 -30.917 -8.132 1.816 1.00 23.35 C +ATOM 450 CD2 LEU A 227 -32.451 -8.046 -0.194 1.00 21.98 C +ATOM 451 N CYS A 228 -36.584 -9.216 2.037 1.00 16.71 N +ATOM 452 CA CYS A 228 -37.472 -10.166 2.703 1.00 17.38 C +ATOM 453 C CYS A 228 -37.100 -11.586 2.299 1.00 17.41 C +ATOM 454 O CYS A 228 -36.573 -11.806 1.216 1.00 17.14 O +ATOM 455 CB CYS A 228 -38.947 -9.920 2.362 1.00 17.03 C +ATOM 456 SG CYS A 228 -39.619 -8.273 2.708 1.00 18.75 S +ATOM 457 N TRP A 229 -37.406 -12.535 3.178 1.00 17.59 N +ATOM 458 CA TRP A 229 -37.214 -13.963 2.910 1.00 18.64 C +ATOM 459 C TRP A 229 -38.313 -14.754 3.622 1.00 18.91 C +ATOM 460 O TRP A 229 -39.155 -14.171 4.325 1.00 18.74 O +ATOM 461 CB TRP A 229 -35.820 -14.414 3.366 1.00 19.05 C +ATOM 462 CG TRP A 229 -35.545 -14.189 4.825 1.00 19.34 C +ATOM 463 CD1 TRP A 229 -35.685 -15.100 5.834 1.00 19.36 C +ATOM 464 CD2 TRP A 229 -35.086 -12.975 5.440 1.00 19.75 C +ATOM 465 NE1 TRP A 229 -35.345 -14.530 7.042 1.00 19.95 N +ATOM 466 CE2 TRP A 229 -34.964 -13.230 6.829 1.00 19.97 C +ATOM 467 CE3 TRP A 229 -34.763 -11.698 4.953 1.00 19.95 C +ATOM 468 CZ2 TRP A 229 -34.541 -12.251 7.739 1.00 20.31 C +ATOM 469 CZ3 TRP A 229 -34.324 -10.728 5.858 1.00 19.00 C +ATOM 470 CH2 TRP A 229 -34.228 -11.008 7.234 1.00 19.70 C +ATOM 471 N CYS A 230 -38.301 -16.079 3.450 1.00 18.85 N +ATOM 472 CA CYS A 230 -39.332 -16.931 4.016 1.00 18.94 C +ATOM 473 C CYS A 230 -38.794 -17.854 5.106 1.00 18.50 C +ATOM 474 O CYS A 230 -37.736 -18.464 4.946 1.00 18.93 O +ATOM 475 CB CYS A 230 -40.004 -17.763 2.915 1.00 19.33 C +ATOM 476 SG CYS A 230 -40.630 -16.761 1.539 1.00 21.95 S +ATOM 477 N VAL A 231 -39.537 -17.962 6.205 1.00 18.37 N +ATOM 478 CA VAL A 231 -39.114 -18.795 7.338 1.00 17.92 C +ATOM 479 C VAL A 231 -40.202 -19.788 7.737 1.00 17.70 C +ATOM 480 O VAL A 231 -41.346 -19.646 7.344 1.00 17.73 O +ATOM 481 CB VAL A 231 -38.723 -17.944 8.571 1.00 18.29 C +ATOM 482 CG1 VAL A 231 -37.542 -17.009 8.238 1.00 18.20 C +ATOM 483 CG2 VAL A 231 -39.946 -17.177 9.121 1.00 18.39 C +ATOM 484 N TYR A 232 -39.826 -20.793 8.525 1.00 18.07 N +ATOM 485 CA TYR A 232 -40.801 -21.624 9.208 1.00 18.02 C +ATOM 486 C TYR A 232 -41.359 -20.832 10.407 1.00 17.80 C +ATOM 487 O TYR A 232 -40.593 -20.347 11.239 1.00 17.24 O +ATOM 488 CB TYR A 232 -40.142 -22.912 9.681 1.00 18.50 C +ATOM 489 CG TYR A 232 -39.552 -23.774 8.570 1.00 18.40 C +ATOM 490 CD1 TYR A 232 -40.379 -24.437 7.660 1.00 20.13 C +ATOM 491 CD2 TYR A 232 -38.167 -23.966 8.470 1.00 18.40 C +ATOM 492 CE1 TYR A 232 -39.841 -25.241 6.655 1.00 19.48 C +ATOM 493 CE2 TYR A 232 -37.617 -24.774 7.465 1.00 18.57 C +ATOM 494 CZ TYR A 232 -38.465 -25.404 6.570 1.00 19.11 C +ATOM 495 OH TYR A 232 -37.938 -26.204 5.592 1.00 18.92 O +ATOM 496 N PRO A 233 -42.695 -20.681 10.497 1.00 18.03 N +ATOM 497 CA PRO A 233 -43.253 -19.870 11.598 1.00 17.74 C +ATOM 498 C PRO A 233 -42.902 -20.308 13.024 1.00 17.82 C +ATOM 499 O PRO A 233 -42.882 -19.469 13.932 1.00 17.24 O +ATOM 500 CB PRO A 233 -44.765 -19.946 11.362 1.00 17.97 C +ATOM 501 CG PRO A 233 -44.897 -20.256 9.893 1.00 18.42 C +ATOM 502 CD PRO A 233 -43.756 -21.183 9.606 1.00 18.27 C +ATOM 503 N TRP A 234 -42.624 -21.598 13.224 1.00 17.63 N +ATOM 504 CA TRP A 234 -42.345 -22.098 14.563 1.00 17.85 C +ATOM 505 C TRP A 234 -40.928 -21.831 15.057 1.00 17.77 C +ATOM 506 O TRP A 234 -40.704 -21.864 16.260 1.00 18.60 O +ATOM 507 CB TRP A 234 -42.687 -23.593 14.706 1.00 17.64 C +ATOM 508 CG TRP A 234 -41.958 -24.497 13.754 1.00 16.96 C +ATOM 509 CD1 TRP A 234 -40.786 -25.170 13.983 1.00 17.91 C +ATOM 510 CD2 TRP A 234 -42.363 -24.836 12.425 1.00 17.13 C +ATOM 511 NE1 TRP A 234 -40.439 -25.906 12.866 1.00 16.95 N +ATOM 512 CE2 TRP A 234 -41.387 -25.721 11.899 1.00 17.40 C +ATOM 513 CE3 TRP A 234 -43.459 -24.480 11.625 1.00 17.41 C +ATOM 514 CZ2 TRP A 234 -41.478 -26.259 10.606 1.00 17.51 C +ATOM 515 CZ3 TRP A 234 -43.546 -25.004 10.342 1.00 17.72 C +ATOM 516 CH2 TRP A 234 -42.555 -25.887 9.843 1.00 17.50 C +ATOM 517 N ASN A 235 -39.983 -21.554 14.152 1.00 17.27 N +ATOM 518 CA ASN A 235 -38.590 -21.315 14.560 1.00 17.29 C +ATOM 519 C ASN A 235 -37.885 -20.097 13.941 1.00 17.16 C +ATOM 520 O ASN A 235 -36.793 -19.751 14.367 1.00 16.87 O +ATOM 521 CB ASN A 235 -37.726 -22.587 14.409 1.00 17.29 C +ATOM 522 CG ASN A 235 -37.407 -22.934 12.950 1.00 17.80 C +ATOM 523 OD1 ASN A 235 -37.834 -22.248 12.018 1.00 17.44 O +ATOM 524 ND2 ASN A 235 -36.651 -24.020 12.754 1.00 18.23 N +ATOM 525 N GLY A 236 -38.506 -19.473 12.940 1.00 17.50 N +ATOM 526 CA GLY A 236 -37.957 -18.276 12.295 1.00 18.22 C +ATOM 527 C GLY A 236 -36.688 -18.500 11.480 1.00 19.13 C +ATOM 528 O GLY A 236 -35.952 -17.548 11.210 1.00 18.66 O +ATOM 529 N LYS A 237 -36.427 -19.755 11.099 1.00 18.90 N +ATOM 530 CA LYS A 237 -35.253 -20.079 10.303 1.00 20.07 C +ATOM 531 C LYS A 237 -35.652 -20.086 8.836 1.00 20.62 C +ATOM 532 O LYS A 237 -36.709 -20.607 8.487 1.00 20.15 O +ATOM 533 CB LYS A 237 -34.658 -21.438 10.712 1.00 20.03 C +ATOM 534 CG LYS A 237 -34.152 -21.504 12.151 1.00 19.85 C +ATOM 535 CD LYS A 237 -33.395 -22.819 12.393 1.00 20.64 C +ATOM 536 CE LYS A 237 -32.887 -22.927 13.828 1.00 20.64 C +ATOM 537 NZ LYS A 237 -32.303 -24.281 14.128 1.00 19.43 N +ATOM 538 N ARG A 238 -34.811 -19.483 7.993 1.00 21.63 N +ATOM 539 CA ARG A 238 -35.054 -19.421 6.556 1.00 22.74 C +ATOM 540 C ARG A 238 -35.290 -20.815 5.978 1.00 23.18 C +ATOM 541 O ARG A 238 -34.580 -21.765 6.321 1.00 23.36 O +ATOM 542 CB ARG A 238 -33.882 -18.738 5.842 1.00 23.15 C +ATOM 543 CG ARG A 238 -34.126 -18.455 4.367 1.00 24.78 C +ATOM 544 CD ARG A 238 -32.909 -17.817 3.729 1.00 29.07 C +ATOM 545 NE ARG A 238 -33.127 -17.584 2.305 1.00 32.71 N +ATOM 546 CZ ARG A 238 -32.328 -16.860 1.525 1.00 33.80 C +ATOM 547 NH1 ARG A 238 -31.254 -16.265 2.028 1.00 35.30 N +ATOM 548 NH2 ARG A 238 -32.617 -16.721 0.240 1.00 34.89 N +ATOM 549 N ILE A 239 -36.322 -20.928 5.150 1.00 23.39 N +ATOM 550 CA ILE A 239 -36.608 -22.157 4.423 1.00 24.14 C +ATOM 551 C ILE A 239 -35.552 -22.319 3.324 1.00 25.20 C +ATOM 552 O ILE A 239 -35.352 -21.409 2.518 1.00 25.16 O +ATOM 553 CB ILE A 239 -38.055 -22.159 3.856 1.00 23.81 C +ATOM 554 CG1 ILE A 239 -39.067 -21.960 4.997 1.00 24.06 C +ATOM 555 CG2 ILE A 239 -38.335 -23.450 3.074 1.00 23.17 C +ATOM 556 CD1 ILE A 239 -40.505 -21.711 4.571 1.00 23.96 C +ATOM 557 N PRO A 240 -34.847 -23.471 3.301 1.00 26.03 N +ATOM 558 CA PRO A 240 -33.817 -23.658 2.275 1.00 26.67 C +ATOM 559 C PRO A 240 -34.410 -23.482 0.877 1.00 26.91 C +ATOM 560 O PRO A 240 -35.524 -23.932 0.615 1.00 27.37 O +ATOM 561 CB PRO A 240 -33.340 -25.096 2.513 1.00 26.80 C +ATOM 562 CG PRO A 240 -33.660 -25.369 3.954 1.00 26.50 C +ATOM 563 CD PRO A 240 -34.952 -24.638 4.200 1.00 26.11 C +ATOM 564 N GLY A 241 -33.693 -22.777 0.010 1.00 27.81 N +ATOM 565 CA GLY A 241 -34.199 -22.463 -1.334 1.00 28.67 C +ATOM 566 C GLY A 241 -35.099 -21.232 -1.404 1.00 29.09 C +ATOM 567 O GLY A 241 -35.506 -20.821 -2.500 1.00 29.78 O +ATOM 568 N SER A 242 -35.406 -20.646 -0.245 1.00 29.22 N +ATOM 569 CA SER A 242 -36.237 -19.436 -0.167 1.00 28.62 C +ATOM 570 C SER A 242 -35.646 -18.301 -0.992 1.00 28.58 C +ATOM 571 O SER A 242 -34.427 -18.089 -0.985 1.00 28.71 O +ATOM 572 CB SER A 242 -36.433 -18.977 1.290 1.00 28.97 C +ATOM 573 OG SER A 242 -36.756 -17.583 1.376 1.00 27.17 O +ATOM 574 N PRO A 243 -36.506 -17.572 -1.722 1.00 28.39 N +ATOM 575 CA PRO A 243 -36.007 -16.356 -2.349 1.00 28.39 C +ATOM 576 C PRO A 243 -35.683 -15.295 -1.290 1.00 28.20 C +ATOM 577 O PRO A 243 -36.259 -15.313 -0.194 1.00 27.71 O +ATOM 578 CB PRO A 243 -37.167 -15.904 -3.244 1.00 28.46 C +ATOM 579 CG PRO A 243 -38.367 -16.600 -2.761 1.00 28.86 C +ATOM 580 CD PRO A 243 -37.933 -17.820 -2.003 1.00 28.47 C +ATOM 581 N GLU A 244 -34.736 -14.419 -1.613 1.00 27.80 N +ATOM 582 CA GLU A 244 -34.478 -13.212 -0.837 1.00 28.29 C +ATOM 583 C GLU A 244 -34.515 -12.022 -1.795 1.00 27.43 C +ATOM 584 O GLU A 244 -33.620 -11.854 -2.622 1.00 27.85 O +ATOM 585 CB GLU A 244 -33.138 -13.293 -0.100 1.00 28.06 C +ATOM 586 CG GLU A 244 -32.866 -12.110 0.845 1.00 29.84 C +ATOM 587 CD GLU A 244 -31.803 -12.400 1.897 1.00 30.20 C +ATOM 588 OE1 GLU A 244 -31.390 -13.572 2.032 1.00 33.67 O +ATOM 589 OE2 GLU A 244 -31.387 -11.453 2.609 1.00 34.03 O +ATOM 590 N ILE A 245 -35.563 -11.214 -1.682 1.00 26.43 N +ATOM 591 CA ILE A 245 -35.780 -10.075 -2.583 1.00 25.65 C +ATOM 592 C ILE A 245 -36.217 -8.832 -1.801 1.00 25.29 C +ATOM 593 O ILE A 245 -36.768 -8.951 -0.700 1.00 25.02 O +ATOM 594 CB ILE A 245 -36.850 -10.402 -3.671 1.00 25.53 C +ATOM 595 CG1 ILE A 245 -38.173 -10.846 -3.033 1.00 25.35 C +ATOM 596 CG2 ILE A 245 -36.325 -11.466 -4.663 1.00 24.89 C +ATOM 597 CD1 ILE A 245 -39.407 -10.707 -3.934 1.00 26.20 C +ATOM 598 N ARG A 246 -36.004 -7.648 -2.381 1.00 24.57 N +ATOM 599 CA ARG A 246 -36.526 -6.407 -1.793 1.00 24.09 C +ATOM 600 C ARG A 246 -37.988 -6.209 -2.186 1.00 23.73 C +ATOM 601 O ARG A 246 -38.334 -5.370 -3.019 1.00 22.92 O +ATOM 602 CB ARG A 246 -35.657 -5.200 -2.156 1.00 24.34 C +ATOM 603 CG ARG A 246 -34.232 -5.365 -1.662 1.00 25.49 C +ATOM 604 CD ARG A 246 -33.359 -4.136 -1.804 1.00 25.90 C +ATOM 605 NE ARG A 246 -32.020 -4.466 -1.317 1.00 27.00 N +ATOM 606 CZ ARG A 246 -31.617 -4.321 -0.057 1.00 28.42 C +ATOM 607 NH1 ARG A 246 -32.447 -3.835 0.870 1.00 27.71 N +ATOM 608 NH2 ARG A 246 -30.378 -4.676 0.281 1.00 29.27 N +ATOM 609 N GLY A 247 -38.835 -7.026 -1.580 1.00 23.42 N +ATOM 610 CA GLY A 247 -40.259 -7.039 -1.851 1.00 24.01 C +ATOM 611 C GLY A 247 -40.829 -8.273 -1.197 1.00 24.50 C +ATOM 612 O GLY A 247 -40.080 -9.077 -0.649 1.00 24.29 O +ATOM 613 N ASP A 248 -42.149 -8.408 -1.235 1.00 25.16 N +ATOM 614 CA ASP A 248 -42.824 -9.555 -0.633 1.00 26.30 C +ATOM 615 C ASP A 248 -42.603 -10.798 -1.502 1.00 26.46 C +ATOM 616 O ASP A 248 -43.038 -10.830 -2.651 1.00 26.50 O +ATOM 617 CB ASP A 248 -44.319 -9.255 -0.467 1.00 26.46 C +ATOM 618 CG ASP A 248 -45.036 -10.274 0.400 1.00 27.46 C +ATOM 619 OD1 ASP A 248 -45.923 -9.862 1.176 1.00 29.63 O +ATOM 620 OD2 ASP A 248 -44.724 -11.481 0.312 1.00 29.49 O +ATOM 621 N PRO A 249 -41.919 -11.825 -0.954 1.00 27.01 N +ATOM 622 CA PRO A 249 -41.616 -13.040 -1.719 1.00 27.12 C +ATOM 623 C PRO A 249 -42.839 -13.935 -1.935 1.00 27.58 C +ATOM 624 O PRO A 249 -42.747 -14.917 -2.670 1.00 27.69 O +ATOM 625 CB PRO A 249 -40.575 -13.763 -0.842 1.00 27.25 C +ATOM 626 CG PRO A 249 -40.172 -12.767 0.229 1.00 26.22 C +ATOM 627 CD PRO A 249 -41.376 -11.906 0.415 1.00 26.82 C +ATOM 628 N ASN A 250 -43.965 -13.578 -1.315 1.00 28.06 N +ATOM 629 CA ASN A 250 -45.188 -14.384 -1.319 1.00 28.66 C +ATOM 630 C ASN A 250 -44.915 -15.766 -0.728 1.00 28.70 C +ATOM 631 O ASN A 250 -44.998 -16.798 -1.417 1.00 29.19 O +ATOM 632 CB ASN A 250 -45.827 -14.456 -2.721 1.00 29.27 C +ATOM 633 CG ASN A 250 -46.426 -13.126 -3.167 1.00 31.00 C +ATOM 634 OD1 ASN A 250 -46.227 -12.687 -4.308 1.00 34.38 O +ATOM 635 ND2 ASN A 250 -47.167 -12.478 -2.272 1.00 31.93 N +ATOM 636 N CYS A 251 -44.571 -15.756 0.557 1.00 28.18 N +ATOM 637 CA CYS A 251 -44.118 -16.941 1.273 1.00 27.85 C +ATOM 638 C CYS A 251 -45.248 -17.940 1.495 1.00 28.66 C +ATOM 639 O CYS A 251 -46.370 -17.574 1.840 1.00 29.40 O +ATOM 640 CB CYS A 251 -43.484 -16.541 2.607 1.00 27.05 C +ATOM 641 SG CYS A 251 -41.988 -15.536 2.435 1.00 22.88 S +ATOM 642 OXT CYS A 251 -45.044 -19.143 1.329 1.00 29.75 O Added: SwiftApps/modFTdock/input/indata/2c60-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2c60-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2c60-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,681 @@ +ATOM 1 N GLY A -10 5.672 41.889 10.411 1.00 32.96 N +ATOM 2 CA GLY A -10 6.271 43.253 10.313 1.00 32.76 C +ATOM 3 C GLY A -10 5.378 44.263 10.995 1.00 32.40 C +ATOM 4 O GLY A -10 5.619 44.648 12.146 1.00 32.58 O +ATOM 5 N THR A -9 4.331 44.678 10.287 1.00 31.46 N +ATOM 6 CA THR A -9 3.258 45.456 10.892 1.00 31.06 C +ATOM 7 C THR A -9 2.474 44.565 11.860 1.00 31.44 C +ATOM 8 O THR A -9 2.021 45.022 12.914 1.00 31.32 O +ATOM 9 CB THR A -9 2.318 46.048 9.816 1.00 30.66 C +ATOM 10 OG1 THR A -9 3.090 46.805 8.877 1.00 29.93 O +ATOM 11 CG2 THR A -9 1.277 46.963 10.441 1.00 30.34 C +ATOM 12 N GLU A -8 2.317 43.291 11.490 1.00 31.96 N +ATOM 13 CA GLU A -8 1.741 42.281 12.378 1.00 31.79 C +ATOM 14 C GLU A -8 2.607 42.086 13.617 1.00 31.52 C +ATOM 15 O GLU A -8 2.093 42.036 14.734 1.00 31.42 O +ATOM 16 CB GLU A -8 1.583 40.950 11.641 1.00 31.93 C +ATOM 17 N ASN A -7 3.922 41.988 13.422 1.00 31.21 N +ATOM 18 CA ASN A -7 4.869 41.879 14.539 1.00 30.77 C +ATOM 19 C ASN A -7 4.789 43.068 15.491 1.00 30.00 C +ATOM 20 O ASN A -7 4.865 42.892 16.709 1.00 30.84 O +ATOM 21 CB ASN A -7 6.306 41.714 14.037 1.00 30.75 C +ATOM 22 N LEU A -6 4.632 44.277 14.943 1.00 28.62 N +ATOM 23 CA LEU A -6 4.432 45.464 15.781 1.00 27.79 C +ATOM 24 C LEU A -6 3.059 45.400 16.436 1.00 27.60 C +ATOM 25 O LEU A -6 2.923 45.692 17.627 1.00 28.01 O +ATOM 26 CB LEU A -6 4.570 46.748 14.958 1.00 27.08 C +ATOM 27 CG LEU A -6 4.193 48.064 15.660 1.00 26.09 C +ATOM 28 CD1 LEU A -6 4.995 48.291 16.938 1.00 26.02 C +ATOM 29 CD2 LEU A -6 4.363 49.214 14.690 1.00 26.34 C +ATOM 30 N SER A 43 9.871 34.845 21.974 1.00 21.30 N +ATOM 31 CA SER A 43 10.641 33.843 21.245 1.00 20.25 C +ATOM 32 C SER A 43 11.585 34.472 20.234 1.00 18.39 C +ATOM 33 O SER A 43 12.241 33.746 19.510 1.00 18.35 O +ATOM 34 CB SER A 43 9.734 32.839 20.511 1.00 21.07 C +ATOM 35 OG SER A 43 9.045 33.453 19.427 1.00 23.97 O +ATOM 36 N ASP A 44 11.648 35.800 20.147 1.00 17.44 N +ATOM 37 CA ASP A 44 12.587 36.430 19.213 1.00 16.32 C +ATOM 38 C ASP A 44 14.019 36.033 19.550 1.00 14.98 C +ATOM 39 O ASP A 44 14.364 35.780 20.733 1.00 16.42 O +ATOM 40 CB ASP A 44 12.512 37.960 19.270 1.00 16.98 C +ATOM 41 CG ASP A 44 11.221 38.540 18.675 1.00 19.56 C +ATOM 42 OD1 ASP A 44 10.360 37.806 18.155 1.00 21.88 O +ATOM 43 OD2 ASP A 44 11.086 39.784 18.708 1.00 24.89 O +ATOM 44 N VAL A 45 14.841 35.993 18.508 1.00 13.42 N +ATOM 45 CA VAL A 45 16.267 35.758 18.651 1.00 12.32 C +ATOM 46 C VAL A 45 16.970 37.102 18.760 1.00 11.89 C +ATOM 47 O VAL A 45 16.834 37.944 17.862 1.00 12.68 O +ATOM 48 CB VAL A 45 16.819 34.982 17.436 1.00 13.00 C +ATOM 49 CG1 VAL A 45 18.324 34.910 17.498 1.00 13.56 C +ATOM 50 CG2 VAL A 45 16.201 33.581 17.343 1.00 13.51 C +ATOM 51 N ARG A 46 17.657 37.334 19.875 1.00 12.46 N +ATOM 52 CA ARG A 46 18.418 38.552 20.084 1.00 13.49 C +ATOM 53 C ARG A 46 19.838 38.311 19.593 1.00 12.11 C +ATOM 54 O ARG A 46 20.506 37.395 20.052 1.00 13.40 O +ATOM 55 CB ARG A 46 18.412 38.916 21.569 1.00 13.98 C +ATOM 56 CG ARG A 46 17.022 39.248 22.076 1.00 18.06 C +ATOM 57 CD ARG A 46 16.968 39.290 23.614 1.00 21.39 C +ATOM 58 NE ARG A 46 17.668 40.453 24.141 1.00 26.48 N +ATOM 59 CZ ARG A 46 18.755 40.440 24.923 1.00 28.45 C +ATOM 60 NH1 ARG A 46 19.353 39.307 25.298 1.00 29.87 N +ATOM 61 NH2 ARG A 46 19.262 41.593 25.337 1.00 29.93 N +ATOM 62 N ILE A 47 20.280 39.111 18.641 1.00 10.76 N +ATOM 63 CA ILE A 47 21.637 39.018 18.120 1.00 11.34 C +ATOM 64 C ILE A 47 22.433 40.195 18.628 1.00 11.49 C +ATOM 65 O ILE A 47 22.028 41.339 18.487 1.00 12.54 O +ATOM 66 CB ILE A 47 21.647 38.945 16.598 1.00 11.37 C +ATOM 67 CG1 ILE A 47 20.843 37.729 16.111 1.00 12.71 C +ATOM 68 CG2 ILE A 47 23.079 38.891 16.119 1.00 12.46 C +ATOM 69 CD1 ILE A 47 20.866 37.517 14.560 1.00 13.56 C +ATOM 70 N LYS A 48 23.558 39.888 19.262 1.00 11.93 N +ATOM 71 CA LYS A 48 24.472 40.910 19.749 1.00 12.49 C +ATOM 72 C LYS A 48 25.578 41.081 18.714 1.00 12.27 C +ATOM 73 O LYS A 48 26.503 40.256 18.627 1.00 13.21 O +ATOM 74 CB LYS A 48 25.061 40.519 21.115 1.00 13.72 C +ATOM 75 CG LYS A 48 25.913 41.611 21.710 1.00 14.81 C +ATOM 76 CD LYS A 48 26.519 41.211 23.056 1.00 18.67 C +ATOM 77 CE LYS A 48 25.537 41.216 24.177 1.00 22.44 C +ATOM 78 NZ LYS A 48 26.214 40.877 25.469 1.00 25.91 N +ATOM 79 N PHE A 49 25.456 42.142 17.917 1.00 11.49 N +ATOM 80 CA PHE A 49 26.418 42.454 16.868 1.00 11.76 C +ATOM 81 C PHE A 49 27.561 43.268 17.440 1.00 12.53 C +ATOM 82 O PHE A 49 27.326 44.236 18.143 1.00 15.12 O +ATOM 83 CB PHE A 49 25.762 43.260 15.761 1.00 12.11 C +ATOM 84 CG PHE A 49 24.744 42.502 14.972 1.00 11.29 C +ATOM 85 CD1 PHE A 49 25.135 41.525 14.085 1.00 12.41 C +ATOM 86 CD2 PHE A 49 23.390 42.803 15.047 1.00 12.25 C +ATOM 87 CE1 PHE A 49 24.228 40.859 13.309 1.00 12.70 C +ATOM 88 CE2 PHE A 49 22.463 42.120 14.280 1.00 13.88 C +ATOM 89 CZ PHE A 49 22.880 41.149 13.412 1.00 13.18 C +ATOM 90 N GLU A 50 28.788 42.905 17.077 1.00 13.15 N +ATOM 91 CA GLU A 50 29.957 43.694 17.415 1.00 14.34 C +ATOM 92 C GLU A 50 30.617 44.184 16.132 1.00 14.31 C +ATOM 93 O GLU A 50 30.972 43.389 15.272 1.00 14.21 O +ATOM 94 CB GLU A 50 30.955 42.868 18.233 1.00 15.28 C +ATOM 95 CG GLU A 50 32.216 43.636 18.577 1.00 17.58 C +ATOM 96 CD GLU A 50 33.226 42.823 19.352 1.00 19.25 C +ATOM 97 OE1 GLU A 50 32.837 42.083 20.281 1.00 24.42 O +ATOM 98 OE2 GLU A 50 34.424 42.945 19.023 1.00 22.72 O +ATOM 99 N HIS A 51 30.799 45.493 16.013 1.00 14.50 N +ATOM 100 CA HIS A 51 31.513 46.058 14.886 1.00 15.60 C +ATOM 101 C HIS A 51 32.498 47.089 15.398 1.00 16.00 C +ATOM 102 O HIS A 51 32.104 48.056 16.063 1.00 17.39 O +ATOM 103 CB HIS A 51 30.586 46.702 13.874 1.00 16.05 C +ATOM 104 CG HIS A 51 31.295 47.104 12.627 1.00 17.56 C +ATOM 105 ND1 HIS A 51 31.147 48.349 12.057 1.00 21.54 N +ATOM 106 CD2 HIS A 51 32.202 46.443 11.866 1.00 18.72 C +ATOM 107 CE1 HIS A 51 31.915 48.425 10.986 1.00 21.69 C +ATOM 108 NE2 HIS A 51 32.574 47.289 10.853 1.00 20.79 N +ATOM 109 N ASN A 52 33.785 46.884 15.112 1.00 16.06 N +ATOM 110 CA ASN A 52 34.864 47.773 15.556 1.00 17.50 C +ATOM 111 C ASN A 52 34.765 48.070 17.047 1.00 18.33 C +ATOM 112 O ASN A 52 34.934 49.207 17.479 1.00 20.27 O +ATOM 113 CB ASN A 52 34.916 49.051 14.714 1.00 17.99 C +ATOM 114 CG ASN A 52 35.329 48.782 13.281 1.00 19.91 C +ATOM 115 OD1 ASN A 52 36.087 47.858 13.001 1.00 22.04 O +ATOM 116 ND2 ASN A 52 34.839 49.599 12.368 1.00 25.26 N +ATOM 117 N GLY A 53 34.553 47.019 17.830 1.00 19.18 N +ATOM 118 CA GLY A 53 34.529 47.067 19.295 1.00 20.79 C +ATOM 119 C GLY A 53 33.240 47.559 19.932 1.00 21.83 C +ATOM 120 O GLY A 53 33.130 47.560 21.163 1.00 24.88 O +ATOM 121 N GLU A 54 32.271 47.983 19.118 1.00 21.60 N +ATOM 122 CA GLU A 54 30.998 48.511 19.599 1.00 21.51 C +ATOM 123 C GLU A 54 29.940 47.433 19.437 1.00 20.77 C +ATOM 124 O GLU A 54 29.896 46.759 18.404 1.00 20.26 O +ATOM 125 CB GLU A 54 30.589 49.734 18.789 1.00 22.03 C +ATOM 126 N ARG A 55 29.119 47.254 20.460 1.00 19.88 N +ATOM 127 CA ARG A 55 28.112 46.198 20.455 1.00 20.20 C +ATOM 128 C ARG A 55 26.708 46.762 20.532 1.00 18.87 C +ATOM 129 O ARG A 55 26.457 47.791 21.183 1.00 20.60 O +ATOM 130 CB ARG A 55 28.364 45.234 21.619 1.00 20.69 C +ATOM 131 CG ARG A 55 29.734 44.596 21.557 1.00 23.28 C +ATOM 132 CD ARG A 55 30.017 43.618 22.686 1.00 25.37 C +ATOM 133 NE ARG A 55 31.410 43.179 22.618 1.00 29.25 N +ATOM 134 CZ ARG A 55 32.445 43.799 23.187 1.00 30.72 C +ATOM 135 NH1 ARG A 55 32.288 44.914 23.896 1.00 29.86 N +ATOM 136 NH2 ARG A 55 33.665 43.290 23.048 1.00 30.74 N +ATOM 137 N ARG A 56 25.784 46.091 19.856 1.00 17.27 N +ATOM 138 CA ARG A 56 24.370 46.401 19.999 1.00 17.42 C +ATOM 139 C ARG A 56 23.547 45.166 19.763 1.00 16.30 C +ATOM 140 O ARG A 56 23.956 44.271 19.046 1.00 17.30 O +ATOM 141 CB ARG A 56 23.982 47.470 19.010 1.00 17.91 C +ATOM 142 CG ARG A 56 23.988 47.010 17.580 1.00 18.72 C +ATOM 143 CD ARG A 56 23.696 48.144 16.638 1.00 22.14 C +ATOM 144 NE ARG A 56 24.849 49.022 16.511 1.00 23.09 N +ATOM 145 CZ ARG A 56 24.866 50.157 15.831 1.00 24.58 C +ATOM 146 NH1 ARG A 56 23.776 50.604 15.207 1.00 23.33 N +ATOM 147 NH2 ARG A 56 25.986 50.861 15.796 1.00 26.35 N +ATOM 148 N ILE A 57 22.374 45.142 20.357 1.00 14.92 N +ATOM 149 CA ILE A 57 21.492 43.992 20.269 1.00 14.23 C +ATOM 150 C ILE A 57 20.332 44.340 19.350 1.00 13.32 C +ATOM 151 O ILE A 57 19.701 45.396 19.504 1.00 15.00 O +ATOM 152 CB ILE A 57 20.974 43.583 21.651 1.00 16.20 C +ATOM 153 CG1 ILE A 57 22.170 43.165 22.532 1.00 20.07 C +ATOM 154 CG2 ILE A 57 19.937 42.462 21.497 1.00 17.61 C +ATOM 155 CD1 ILE A 57 21.856 42.958 23.958 1.00 23.10 C +ATOM 156 N ILE A 58 20.068 43.456 18.394 1.00 11.86 N +ATOM 157 CA ILE A 58 18.934 43.584 17.512 1.00 12.55 C +ATOM 158 C ILE A 58 18.164 42.267 17.550 1.00 12.42 C +ATOM 159 O ILE A 58 18.748 41.204 17.444 1.00 12.30 O +ATOM 160 CB ILE A 58 19.402 43.931 16.072 1.00 13.17 C +ATOM 161 CG1 ILE A 58 20.184 45.249 16.090 1.00 14.84 C +ATOM 162 CG2 ILE A 58 18.209 44.001 15.156 1.00 14.02 C +ATOM 163 CD1 ILE A 58 20.728 45.662 14.762 1.00 15.26 C +ATOM 164 N ALA A 59 16.850 42.362 17.723 1.00 12.43 N +ATOM 165 CA ALA A 59 15.966 41.217 17.794 1.00 13.35 C +ATOM 166 C ALA A 59 15.387 40.858 16.437 1.00 12.55 C +ATOM 167 O ALA A 59 15.052 41.737 15.635 1.00 14.83 O +ATOM 168 CB ALA A 59 14.849 41.484 18.813 1.00 14.31 C +ATOM 169 N PHE A 60 15.282 39.556 16.187 1.00 12.83 N +ATOM 170 CA PHE A 60 14.705 39.013 14.962 1.00 13.29 C +ATOM 171 C PHE A 60 13.611 38.001 15.299 1.00 13.82 C +ATOM 172 O PHE A 60 13.824 37.090 16.100 1.00 14.24 O +ATOM 173 CB PHE A 60 15.793 38.312 14.118 1.00 12.84 C +ATOM 174 CG PHE A 60 16.828 39.250 13.552 1.00 12.80 C +ATOM 175 CD1 PHE A 60 16.714 39.769 12.278 1.00 13.63 C +ATOM 176 CD2 PHE A 60 17.909 39.645 14.327 1.00 13.50 C +ATOM 177 CE1 PHE A 60 17.658 40.664 11.810 1.00 13.46 C +ATOM 178 CE2 PHE A 60 18.843 40.519 13.834 1.00 13.43 C +ATOM 179 CZ PHE A 60 18.704 41.042 12.590 1.00 13.31 C +ATOM 180 N SER A 61 12.456 38.118 14.654 1.00 15.50 N +ATOM 181 CA SER A 61 11.407 37.121 14.822 1.00 16.79 C +ATOM 182 C SER A 61 11.767 35.799 14.153 1.00 16.13 C +ATOM 183 O SER A 61 12.394 35.780 13.089 1.00 16.33 O +ATOM 184 CB ASER A 61 10.086 37.652 14.283 0.50 17.77 C +ATOM 185 CB BSER A 61 10.104 37.628 14.199 0.50 17.85 C +ATOM 186 OG ASER A 61 10.205 37.927 12.910 0.50 19.50 O +ATOM 187 OG BSER A 61 9.596 38.741 14.901 0.50 20.22 O +ATOM 188 N ARG A 62 11.348 34.700 14.772 1.00 15.77 N +ATOM 189 CA ARG A 62 11.539 33.369 14.188 1.00 15.75 C +ATOM 190 C ARG A 62 10.442 33.067 13.171 1.00 16.81 C +ATOM 191 O ARG A 62 9.301 33.537 13.336 1.00 18.72 O +ATOM 192 CB ARG A 62 11.521 32.298 15.267 1.00 15.75 C +ATOM 193 CG ARG A 62 12.544 32.456 16.365 1.00 15.32 C +ATOM 194 CD ARG A 62 12.409 31.330 17.355 1.00 15.62 C +ATOM 195 NE ARG A 62 13.289 31.495 18.500 1.00 15.26 N +ATOM 196 CZ ARG A 62 14.379 30.792 18.758 1.00 13.61 C +ATOM 197 NH1 ARG A 62 14.817 29.867 17.929 1.00 14.31 N +ATOM 198 NH2 ARG A 62 15.041 31.056 19.873 1.00 14.15 N +ATOM 199 N PRO A 63 10.777 32.282 12.126 1.00 17.47 N +ATOM 200 CA PRO A 63 12.105 31.770 11.793 1.00 17.16 C +ATOM 201 C PRO A 63 13.007 32.873 11.250 1.00 16.56 C +ATOM 202 O PRO A 63 12.577 33.685 10.423 1.00 17.95 O +ATOM 203 CB PRO A 63 11.838 30.707 10.710 1.00 17.73 C +ATOM 204 CG PRO A 63 10.413 30.641 10.532 1.00 20.04 C +ATOM 205 CD PRO A 63 9.751 31.795 11.192 1.00 17.73 C +ATOM 206 N VAL A 64 14.241 32.925 11.726 1.00 14.98 N +ATOM 207 CA VAL A 64 15.173 33.965 11.312 1.00 13.98 C +ATOM 208 C VAL A 64 15.772 33.573 9.966 1.00 14.18 C +ATOM 209 O VAL A 64 16.398 32.510 9.848 1.00 15.03 O +ATOM 210 CB VAL A 64 16.284 34.143 12.361 1.00 13.62 C +ATOM 211 CG1 VAL A 64 17.194 35.267 11.959 1.00 13.97 C +ATOM 212 CG2 VAL A 64 15.699 34.421 13.747 1.00 13.73 C +ATOM 213 N LYS A 65 15.591 34.435 8.972 1.00 14.60 N +ATOM 214 CA LYS A 65 16.106 34.211 7.626 1.00 14.23 C +ATOM 215 C LYS A 65 17.455 34.885 7.435 1.00 13.42 C +ATOM 216 O LYS A 65 17.617 36.048 7.759 1.00 13.44 O +ATOM 217 CB LYS A 65 15.127 34.715 6.564 1.00 16.30 C +ATOM 218 CG LYS A 65 13.793 34.023 6.621 1.00 19.97 C +ATOM 219 CD LYS A 65 13.886 32.517 6.595 1.00 23.88 C +ATOM 220 N TYR A 66 18.406 34.140 6.905 1.00 13.17 N +ATOM 221 CA TYR A 66 19.753 34.649 6.643 1.00 13.50 C +ATOM 222 C TYR A 66 19.716 35.951 5.854 1.00 13.32 C +ATOM 223 O TYR A 66 20.375 36.909 6.210 1.00 12.65 O +ATOM 224 CB TYR A 66 20.524 33.578 5.882 1.00 14.06 C +ATOM 225 CG TYR A 66 21.954 33.917 5.611 1.00 13.70 C +ATOM 226 CD1 TYR A 66 22.917 33.764 6.599 1.00 13.85 C +ATOM 227 CD2 TYR A 66 22.360 34.385 4.370 1.00 13.20 C +ATOM 228 CE1 TYR A 66 24.214 34.053 6.363 1.00 14.43 C +ATOM 229 CE2 TYR A 66 23.682 34.685 4.127 1.00 14.57 C +ATOM 230 CZ TYR A 66 24.607 34.507 5.137 1.00 14.93 C +ATOM 231 OH TYR A 66 25.935 34.790 4.898 1.00 16.77 O +ATOM 232 N GLU A 67 18.906 35.999 4.800 1.00 14.44 N +ATOM 233 CA GLU A 67 18.868 37.176 3.954 1.00 15.74 C +ATOM 234 C GLU A 67 18.321 38.397 4.712 1.00 15.42 C +ATOM 235 O GLU A 67 18.724 39.537 4.444 1.00 15.41 O +ATOM 236 CB AGLU A 67 18.115 36.865 2.658 0.50 16.60 C +ATOM 237 CB BGLU A 67 18.033 36.925 2.695 0.50 16.48 C +ATOM 238 CG AGLU A 67 18.830 35.792 1.775 0.50 18.51 C +ATOM 239 CG BGLU A 67 16.555 36.593 2.940 0.50 17.96 C +ATOM 240 CD AGLU A 67 18.775 34.364 2.348 0.50 19.97 C +ATOM 241 CD BGLU A 67 16.240 35.087 3.005 0.50 19.08 C +ATOM 242 OE1AGLU A 67 17.826 34.062 3.108 0.50 19.12 O +ATOM 243 OE1BGLU A 67 17.135 34.281 3.351 0.50 19.17 O +ATOM 244 OE2AGLU A 67 19.671 33.537 2.029 0.50 21.61 O +ATOM 245 OE2BGLU A 67 15.071 34.705 2.726 0.50 21.31 O +ATOM 246 N ASP A 68 17.473 38.161 5.702 1.00 15.06 N +ATOM 247 CA ASP A 68 16.935 39.243 6.509 1.00 15.50 C +ATOM 248 C ASP A 68 17.975 39.786 7.484 1.00 14.10 C +ATOM 249 O ASP A 68 18.060 40.994 7.710 1.00 13.55 O +ATOM 250 CB ASP A 68 15.694 38.769 7.274 1.00 16.65 C +ATOM 251 CG ASP A 68 14.471 38.578 6.383 1.00 19.35 C +ATOM 252 OD1 ASP A 68 14.458 39.034 5.227 1.00 22.68 O +ATOM 253 OD2 ASP A 68 13.493 37.995 6.861 1.00 22.43 O +ATOM 254 N VAL A 69 18.788 38.903 8.060 1.00 12.39 N +ATOM 255 CA VAL A 69 19.877 39.360 8.922 1.00 12.04 C +ATOM 256 C VAL A 69 20.883 40.164 8.098 1.00 11.89 C +ATOM 257 O VAL A 69 21.300 41.240 8.503 1.00 11.38 O +ATOM 258 CB VAL A 69 20.552 38.169 9.620 1.00 12.14 C +ATOM 259 CG1 VAL A 69 21.729 38.648 10.453 1.00 13.05 C +ATOM 260 CG2 VAL A 69 19.546 37.392 10.482 1.00 12.83 C +ATOM 261 N GLU A 70 21.265 39.653 6.936 1.00 12.24 N +ATOM 262 CA GLU A 70 22.220 40.355 6.088 1.00 12.98 C +ATOM 263 C GLU A 70 21.687 41.745 5.724 1.00 12.29 C +ATOM 264 O GLU A 70 22.396 42.738 5.784 1.00 12.50 O +ATOM 265 CB AGLU A 70 22.458 39.539 4.833 0.80 14.70 C +ATOM 266 CB BGLU A 70 22.445 39.628 4.756 0.20 12.80 C +ATOM 267 CG AGLU A 70 23.533 39.992 3.920 0.80 17.99 C +ATOM 268 CG BGLU A 70 23.148 38.295 4.817 0.20 12.23 C +ATOM 269 CD AGLU A 70 23.759 38.944 2.853 0.80 22.36 C +ATOM 270 CD BGLU A 70 23.447 37.743 3.425 0.20 12.78 C +ATOM 271 OE1AGLU A 70 24.685 38.127 3.000 0.80 25.29 O +ATOM 272 OE1BGLU A 70 22.510 37.612 2.603 0.20 12.46 O +ATOM 273 OE2AGLU A 70 22.951 38.887 1.906 0.80 26.82 O +ATOM 274 OE2BGLU A 70 24.620 37.423 3.154 0.20 13.68 O +ATOM 275 N HIS A 71 20.431 41.812 5.313 1.00 12.50 N +ATOM 276 CA HIS A 71 19.836 43.088 4.956 1.00 13.22 C +ATOM 277 C HIS A 71 19.793 44.059 6.130 1.00 12.57 C +ATOM 278 O HIS A 71 20.067 45.257 5.962 1.00 12.37 O +ATOM 279 CB HIS A 71 18.431 42.866 4.422 1.00 14.78 C +ATOM 280 CG HIS A 71 17.675 44.129 4.174 1.00 18.35 C +ATOM 281 ND1 HIS A 71 17.987 44.981 3.150 1.00 21.24 N +ATOM 282 CD2 HIS A 71 16.636 44.691 4.834 1.00 20.73 C +ATOM 283 CE1 HIS A 71 17.147 46.006 3.158 1.00 20.38 C +ATOM 284 NE2 HIS A 71 16.326 45.859 4.185 1.00 21.49 N +ATOM 285 N LYS A 72 19.446 43.567 7.314 1.00 11.64 N +ATOM 286 CA LYS A 72 19.399 44.441 8.479 1.00 11.87 C +ATOM 287 C LYS A 72 20.783 44.974 8.801 1.00 11.38 C +ATOM 288 O LYS A 72 20.942 46.139 9.111 1.00 11.93 O +ATOM 289 CB LYS A 72 18.832 43.690 9.671 1.00 11.44 C +ATOM 290 CG LYS A 72 18.563 44.566 10.892 1.00 11.70 C +ATOM 291 CD LYS A 72 17.385 45.511 10.713 1.00 12.24 C +ATOM 292 CE LYS A 72 16.974 46.161 12.023 1.00 12.34 C +ATOM 293 NZ LYS A 72 15.686 46.901 11.872 1.00 12.49 N +ATOM 294 N VAL A 73 21.805 44.125 8.717 1.00 11.48 N +ATOM 295 CA VAL A 73 23.171 44.568 8.964 1.00 11.67 C +ATOM 296 C VAL A 73 23.588 45.653 7.979 1.00 12.45 C +ATOM 297 O VAL A 73 24.096 46.695 8.397 1.00 12.43 O +ATOM 298 CB VAL A 73 24.129 43.374 8.921 1.00 11.60 C +ATOM 299 CG1 VAL A 73 25.586 43.808 8.890 1.00 13.28 C +ATOM 300 CG2 VAL A 73 23.918 42.494 10.168 1.00 12.99 C +ATOM 301 N THR A 74 23.350 45.444 6.697 1.00 12.59 N +ATOM 302 CA THR A 74 23.728 46.436 5.716 1.00 13.30 C +ATOM 303 C THR A 74 23.008 47.771 5.976 1.00 13.86 C +ATOM 304 O THR A 74 23.585 48.855 5.876 1.00 15.19 O +ATOM 305 CB THR A 74 23.437 45.884 4.323 1.00 14.26 C +ATOM 306 OG1 THR A 74 24.222 44.697 4.109 1.00 15.65 O +ATOM 307 CG2 THR A 74 23.760 46.899 3.265 1.00 16.31 C +ATOM 308 N THR A 75 21.736 47.671 6.326 1.00 12.93 N +ATOM 309 CA THR A 75 20.927 48.860 6.576 1.00 13.45 C +ATOM 310 C THR A 75 21.401 49.619 7.820 1.00 13.48 C +ATOM 311 O THR A 75 21.552 50.842 7.806 1.00 15.40 O +ATOM 312 CB THR A 75 19.460 48.420 6.763 1.00 13.81 C +ATOM 313 OG1 THR A 75 18.976 47.806 5.556 1.00 15.58 O +ATOM 314 CG2 THR A 75 18.572 49.577 7.155 1.00 14.41 C +ATOM 315 N VAL A 76 21.624 48.892 8.910 1.00 14.19 N +ATOM 316 CA VAL A 76 22.002 49.518 10.169 1.00 15.38 C +ATOM 317 C VAL A 76 23.409 50.087 10.186 1.00 16.07 C +ATOM 318 O VAL A 76 23.620 51.160 10.743 1.00 17.61 O +ATOM 319 CB VAL A 76 21.852 48.530 11.334 1.00 16.09 C +ATOM 320 CG1 VAL A 76 22.564 49.042 12.613 1.00 16.91 C +ATOM 321 CG2 VAL A 76 20.377 48.228 11.561 1.00 16.02 C +ATOM 322 N PHE A 77 24.368 49.358 9.616 1.00 16.07 N +ATOM 323 CA PHE A 77 25.771 49.733 9.657 1.00 17.64 C +ATOM 324 C PHE A 77 26.190 50.512 8.424 1.00 19.04 C +ATOM 325 O PHE A 77 27.301 51.037 8.387 1.00 21.75 O +ATOM 326 CB PHE A 77 26.637 48.483 9.882 1.00 17.66 C +ATOM 327 CG PHE A 77 26.443 47.888 11.243 1.00 16.26 C +ATOM 328 CD1 PHE A 77 27.116 48.401 12.332 1.00 16.47 C +ATOM 329 CD2 PHE A 77 25.545 46.865 11.461 1.00 15.96 C +ATOM 330 CE1 PHE A 77 26.929 47.884 13.594 1.00 16.82 C +ATOM 331 CE2 PHE A 77 25.351 46.367 12.743 1.00 16.22 C +ATOM 332 CZ PHE A 77 26.041 46.884 13.799 1.00 17.37 C +ATOM 333 N GLY A 78 25.312 50.605 7.427 1.00 20.16 N +ATOM 334 CA GLY A 78 25.580 51.429 6.252 1.00 20.93 C +ATOM 335 C GLY A 78 26.584 50.843 5.287 1.00 20.91 C +ATOM 336 O GLY A 78 27.083 51.544 4.407 1.00 22.52 O +ATOM 337 N GLN A 79 26.882 49.552 5.438 1.00 20.12 N +ATOM 338 CA GLN A 79 27.815 48.845 4.566 1.00 20.33 C +ATOM 339 C GLN A 79 27.597 47.362 4.793 1.00 19.28 C +ATOM 340 O GLN A 79 27.183 46.982 5.894 1.00 18.22 O +ATOM 341 CB GLN A 79 29.260 49.214 4.905 1.00 21.11 C +ATOM 342 CG GLN A 79 29.655 48.955 6.361 1.00 22.45 C +ATOM 343 CD GLN A 79 31.094 49.335 6.675 1.00 23.38 C +ATOM 344 OE1 GLN A 79 32.014 49.000 5.929 1.00 27.57 O +ATOM 345 NE2 GLN A 79 31.292 50.026 7.790 1.00 26.01 N +ATOM 346 N PRO A 80 27.875 46.531 3.774 1.00 19.35 N +ATOM 347 CA PRO A 80 27.779 45.083 4.002 1.00 18.84 C +ATOM 348 C PRO A 80 28.912 44.616 4.884 1.00 17.98 C +ATOM 349 O PRO A 80 30.052 45.069 4.743 1.00 19.42 O +ATOM 350 CB PRO A 80 27.922 44.479 2.606 1.00 19.53 C +ATOM 351 CG PRO A 80 28.516 45.557 1.757 1.00 20.96 C +ATOM 352 CD PRO A 80 28.253 46.871 2.386 1.00 20.08 C +ATOM 353 N LEU A 81 28.593 43.704 5.786 1.00 15.87 N +ATOM 354 CA LEU A 81 29.572 43.125 6.708 1.00 15.27 C +ATOM 355 C LEU A 81 29.339 41.647 6.838 1.00 15.26 C +ATOM 356 O LEU A 81 28.194 41.205 6.943 1.00 16.72 O +ATOM 357 CB LEU A 81 29.429 43.787 8.077 1.00 15.25 C +ATOM 358 CG LEU A 81 29.724 45.293 8.091 1.00 16.10 C +ATOM 359 CD1 LEU A 81 29.304 45.923 9.404 1.00 15.53 C +ATOM 360 CD2 LEU A 81 31.209 45.524 7.859 1.00 17.44 C +ATOM 361 N ASP A 82 30.420 40.874 6.895 1.00 14.93 N +ATOM 362 CA ASP A 82 30.321 39.432 7.062 1.00 14.98 C +ATOM 363 C ASP A 82 29.958 39.085 8.500 1.00 13.41 C +ATOM 364 O ASP A 82 30.416 39.741 9.417 1.00 13.77 O +ATOM 365 CB ASP A 82 31.666 38.781 6.745 1.00 16.26 C +ATOM 366 CG ASP A 82 32.047 38.867 5.282 1.00 19.86 C +ATOM 367 OD1 ASP A 82 31.150 38.945 4.422 1.00 22.68 O +ATOM 368 OD2 ASP A 82 33.265 38.797 4.991 1.00 25.00 O +ATOM 369 N LEU A 83 29.158 38.037 8.660 1.00 13.06 N +ATOM 370 CA LEU A 83 28.696 37.561 9.963 1.00 13.03 C +ATOM 371 C LEU A 83 29.587 36.430 10.477 1.00 12.90 C +ATOM 372 O LEU A 83 29.674 35.388 9.859 1.00 13.16 O +ATOM 373 CB LEU A 83 27.292 36.969 9.859 1.00 14.04 C +ATOM 374 CG LEU A 83 26.225 37.769 9.132 1.00 16.16 C +ATOM 375 CD1 LEU A 83 25.014 36.891 8.840 1.00 17.79 C +ATOM 376 CD2 LEU A 83 25.845 38.990 9.935 1.00 18.11 C +ATOM 377 N HIS A 84 30.204 36.631 11.622 1.00 12.92 N +ATOM 378 CA HIS A 84 31.010 35.592 12.234 1.00 13.19 C +ATOM 379 C HIS A 84 30.445 35.253 13.611 1.00 12.64 C +ATOM 380 O HIS A 84 30.468 36.088 14.500 1.00 14.11 O +ATOM 381 CB HIS A 84 32.454 36.070 12.363 1.00 13.66 C +ATOM 382 CG HIS A 84 33.138 36.363 11.062 1.00 15.03 C +ATOM 383 ND1 HIS A 84 34.051 35.501 10.487 1.00 14.51 N +ATOM 384 CD2 HIS A 84 33.062 37.438 10.238 1.00 15.71 C +ATOM 385 CE1 HIS A 84 34.482 36.021 9.350 1.00 15.49 C +ATOM 386 NE2 HIS A 84 33.900 37.200 9.176 1.00 16.54 N +ATOM 387 N TYR A 85 29.912 34.055 13.778 1.00 12.12 N +ATOM 388 CA TYR A 85 29.492 33.590 15.094 1.00 11.69 C +ATOM 389 C TYR A 85 30.728 33.514 15.944 1.00 11.56 C +ATOM 390 O TYR A 85 31.715 32.968 15.518 1.00 12.37 O +ATOM 391 CB TYR A 85 28.809 32.183 15.043 1.00 13.55 C +ATOM 392 CG TYR A 85 28.676 31.580 16.444 1.00 15.38 C +ATOM 393 CD1 TYR A 85 27.692 32.047 17.324 1.00 14.23 C +ATOM 394 CD2 TYR A 85 29.618 30.647 16.938 1.00 18.35 C +ATOM 395 CE1 TYR A 85 27.609 31.555 18.627 1.00 16.38 C +ATOM 396 CE2 TYR A 85 29.540 30.152 18.256 1.00 18.98 C +ATOM 397 CZ TYR A 85 28.548 30.624 19.085 1.00 17.13 C +ATOM 398 OH TYR A 85 28.475 30.154 20.380 1.00 18.82 O +ATOM 415 N ASN A 87 32.467 32.776 19.960 1.00 14.71 N +ATOM 416 CA ASN A 87 32.501 32.588 21.393 1.00 16.83 C +ATOM 417 C ASN A 87 33.814 33.142 21.936 1.00 18.27 C +ATOM 418 O ASN A 87 34.486 33.890 21.265 1.00 19.24 O +ATOM 419 CB ASN A 87 32.167 31.135 21.762 1.00 17.65 C +ATOM 420 CG ASN A 87 33.185 30.136 21.282 1.00 16.82 C +ATOM 421 OD1 ASN A 87 34.374 30.425 21.205 1.00 18.94 O +ATOM 422 ND2 ASN A 87 32.722 28.910 20.989 1.00 20.36 N +ATOM 423 N ASN A 88 34.194 32.811 23.153 1.00 20.34 N +ATOM 424 CA ASN A 88 35.409 33.415 23.694 1.00 21.92 C +ATOM 425 C ASN A 88 36.692 32.956 23.012 1.00 22.22 C +ATOM 426 O ASN A 88 37.723 33.663 23.078 1.00 24.52 O +ATOM 427 CB ASN A 88 35.470 33.177 25.207 1.00 23.36 C +ATOM 428 CG ASN A 88 34.381 33.913 25.945 1.00 26.20 C +ATOM 429 OD1 ASN A 88 34.068 35.061 25.621 1.00 26.68 O +ATOM 430 ND2 ASN A 88 33.816 33.274 26.969 1.00 30.90 N +ATOM 431 N GLU A 89 36.639 31.794 22.363 1.00 20.55 N +ATOM 432 CA GLU A 89 37.826 31.207 21.745 1.00 20.23 C +ATOM 433 C GLU A 89 37.782 31.096 20.224 1.00 17.34 C +ATOM 434 O GLU A 89 38.819 31.134 19.609 1.00 17.73 O +ATOM 435 CB GLU A 89 38.065 29.819 22.309 1.00 21.50 C +ATOM 436 CG GLU A 89 38.075 29.762 23.830 1.00 26.31 C +ATOM 437 CD GLU A 89 39.437 29.562 24.392 1.00 28.45 C +ATOM 438 OE1 GLU A 89 40.070 28.544 24.052 1.00 35.91 O +ATOM 439 OE2 GLU A 89 39.874 30.421 25.187 1.00 36.80 O +ATOM 440 N LEU A 90 36.607 30.909 19.628 1.00 15.07 N +ATOM 441 CA LEU A 90 36.494 30.559 18.212 1.00 15.10 C +ATOM 442 C LEU A 90 35.522 31.513 17.535 1.00 13.66 C +ATOM 443 O LEU A 90 34.586 32.004 18.154 1.00 15.25 O +ATOM 444 CB LEU A 90 35.952 29.133 18.064 1.00 17.52 C +ATOM 445 CG LEU A 90 36.785 28.023 18.668 1.00 22.04 C +ATOM 446 CD1 LEU A 90 36.031 26.706 18.513 1.00 24.81 C +ATOM 447 CD2 LEU A 90 38.154 27.984 18.027 1.00 23.44 C +ATOM 448 N SER A 91 35.731 31.764 16.247 1.00 12.01 N +ATOM 449 CA SER A 91 34.679 32.340 15.443 1.00 12.34 C +ATOM 450 C SER A 91 34.539 31.563 14.149 1.00 11.69 C +ATOM 451 O SER A 91 35.493 30.956 13.668 1.00 11.97 O +ATOM 452 CB SER A 91 34.849 33.830 15.162 1.00 13.34 C +ATOM 453 OG SER A 91 35.823 34.085 14.172 1.00 15.46 O +ATOM 454 N ILE A 92 33.337 31.619 13.574 1.00 10.97 N +ATOM 455 CA ILE A 92 33.025 30.892 12.365 1.00 12.64 C +ATOM 456 C ILE A 92 32.148 31.760 11.480 1.00 10.24 C +ATOM 457 O ILE A 92 31.120 32.240 11.911 1.00 11.15 O +ATOM 458 CB ILE A 92 32.287 29.561 12.722 1.00 14.48 C +ATOM 459 CG1 ILE A 92 33.046 28.703 13.762 1.00 18.12 C +ATOM 460 CG2 ILE A 92 31.995 28.786 11.444 1.00 17.83 C +ATOM 461 CD1 ILE A 92 32.205 27.646 14.418 1.00 18.85 C +ATOM 462 N LEU A 93 32.550 31.913 10.225 1.00 10.47 N +ATOM 463 CA LEU A 93 31.770 32.659 9.261 1.00 11.62 C +ATOM 464 C LEU A 93 30.459 31.951 9.009 1.00 11.82 C +ATOM 465 O LEU A 93 30.430 30.762 8.730 1.00 13.22 O +ATOM 466 CB LEU A 93 32.562 32.740 7.947 1.00 12.68 C +ATOM 467 CG LEU A 93 31.904 33.436 6.769 1.00 14.33 C +ATOM 468 CD1 LEU A 93 31.785 34.910 6.965 1.00 16.76 C +ATOM 469 CD2 LEU A 93 32.662 33.164 5.496 1.00 15.29 C +ATOM 470 N LEU A 94 29.369 32.706 9.044 1.00 10.70 N +ATOM 471 CA LEU A 94 28.041 32.182 8.697 1.00 11.34 C +ATOM 472 C LEU A 94 27.747 32.544 7.247 1.00 11.73 C +ATOM 473 O LEU A 94 27.589 33.724 6.914 1.00 12.71 O +ATOM 474 CB LEU A 94 26.980 32.758 9.630 1.00 11.56 C +ATOM 475 CG LEU A 94 27.236 32.550 11.124 1.00 10.68 C +ATOM 476 CD1 LEU A 94 26.106 33.156 11.914 1.00 12.47 C +ATOM 477 CD2 LEU A 94 27.438 31.111 11.496 1.00 12.68 C +ATOM 478 N LYS A 95 27.699 31.517 6.396 1.00 12.34 N +ATOM 479 CA LYS A 95 27.682 31.695 4.954 1.00 13.62 C +ATOM 480 C LYS A 95 26.289 31.605 4.362 1.00 13.03 C +ATOM 481 O LYS A 95 26.063 32.039 3.225 1.00 13.21 O +ATOM 482 CB LYS A 95 28.553 30.623 4.275 1.00 14.31 C +ATOM 483 CG LYS A 95 29.962 30.573 4.777 1.00 16.40 C +ATOM 484 CD LYS A 95 30.805 29.454 4.210 1.00 18.01 C +ATOM 485 CE LYS A 95 30.336 28.078 4.588 1.00 21.19 C +ATOM 486 NZ LYS A 95 30.306 27.809 6.041 1.00 23.38 N +ATOM 487 N ASN A 96 25.354 31.018 5.104 1.00 11.79 N +ATOM 488 CA ASN A 96 24.060 30.667 4.541 1.00 12.31 C +ATOM 489 C ASN A 96 23.076 30.343 5.667 1.00 11.84 C +ATOM 490 O ASN A 96 23.429 30.338 6.847 1.00 11.19 O +ATOM 491 CB ASN A 96 24.217 29.490 3.561 1.00 12.84 C +ATOM 492 CG ASN A 96 24.892 28.302 4.186 1.00 13.36 C +ATOM 493 OD1 ASN A 96 24.638 27.973 5.333 1.00 15.35 O +ATOM 494 ND2 ASN A 96 25.821 27.686 3.452 1.00 19.22 N +ATOM 495 N GLN A 97 21.848 30.049 5.278 1.00 12.08 N +ATOM 496 CA GLN A 97 20.788 29.716 6.213 1.00 12.41 C +ATOM 497 C GLN A 97 21.150 28.540 7.109 1.00 12.62 C +ATOM 498 O GLN A 97 20.852 28.545 8.303 1.00 12.86 O +ATOM 499 CB GLN A 97 19.495 29.412 5.443 1.00 13.10 C +ATOM 500 CG GLN A 97 18.313 29.237 6.334 1.00 12.55 C +ATOM 501 CD GLN A 97 17.893 30.526 7.003 1.00 12.96 C +ATOM 502 OE1 GLN A 97 17.694 31.533 6.330 1.00 15.37 O +ATOM 503 NE2 GLN A 97 17.787 30.522 8.329 1.00 14.54 N +ATOM 504 N ASP A 98 21.767 27.507 6.551 1.00 13.17 N +ATOM 505 CA ASP A 98 22.105 26.324 7.356 1.00 14.45 C +ATOM 506 C ASP A 98 23.077 26.688 8.465 1.00 13.12 C +ATOM 507 O ASP A 98 22.929 26.246 9.602 1.00 13.06 O +ATOM 508 CB ASP A 98 22.705 25.206 6.470 1.00 16.41 C +ATOM 509 CG ASP A 98 21.682 24.516 5.589 1.00 21.96 C +ATOM 510 OD1 ASP A 98 20.462 24.605 5.836 1.00 26.75 O +ATOM 511 OD2 ASP A 98 22.120 23.859 4.624 1.00 30.97 O +ATOM 512 N ASP A 99 24.086 27.493 8.138 1.00 11.57 N +ATOM 513 CA ASP A 99 25.038 27.922 9.164 1.00 11.91 C +ATOM 514 C ASP A 99 24.331 28.741 10.239 1.00 10.77 C +ATOM 515 O ASP A 99 24.580 28.576 11.422 1.00 10.38 O +ATOM 516 CB ASP A 99 26.158 28.793 8.567 1.00 11.92 C +ATOM 517 CG ASP A 99 27.123 28.055 7.643 1.00 13.92 C +ATOM 518 OD1 ASP A 99 27.180 26.805 7.633 1.00 17.42 O +ATOM 519 OD2 ASP A 99 27.879 28.801 6.961 1.00 15.87 O +ATOM 520 N LEU A 100 23.477 29.660 9.824 1.00 10.28 N +ATOM 521 CA LEU A 100 22.748 30.494 10.779 1.00 9.94 C +ATOM 522 C LEU A 100 21.848 29.642 11.686 1.00 9.58 C +ATOM 523 O LEU A 100 21.794 29.837 12.903 1.00 9.66 O +ATOM 524 CB LEU A 100 21.929 31.564 10.064 1.00 10.43 C +ATOM 525 CG LEU A 100 21.067 32.462 10.955 1.00 11.28 C +ATOM 526 CD1 LEU A 100 21.893 33.267 11.979 1.00 12.89 C +ATOM 527 CD2 LEU A 100 20.256 33.395 10.106 1.00 12.93 C +ATOM 528 N ASP A 101 21.162 28.664 11.088 1.00 10.92 N +ATOM 529 CA ASP A 101 20.294 27.781 11.880 1.00 11.17 C +ATOM 530 C ASP A 101 21.097 27.017 12.938 1.00 10.48 C +ATOM 531 O ASP A 101 20.651 26.845 14.082 1.00 10.74 O +ATOM 532 CB ASP A 101 19.548 26.775 10.988 1.00 12.21 C +ATOM 533 CG ASP A 101 18.562 27.416 10.055 1.00 16.06 C +ATOM 534 OD1 ASP A 101 18.127 28.546 10.319 1.00 17.10 O +ATOM 535 OD2 ASP A 101 18.193 26.755 9.059 1.00 19.35 O +ATOM 536 N LYS A 102 22.300 26.570 12.586 1.00 10.95 N +ATOM 537 CA LYS A 102 23.145 25.850 13.538 1.00 11.70 C +ATOM 538 C LYS A 102 23.634 26.773 14.635 1.00 10.78 C +ATOM 539 O LYS A 102 23.698 26.358 15.793 1.00 11.78 O +ATOM 540 CB LYS A 102 24.320 25.190 12.798 1.00 13.03 C +ATOM 541 CG LYS A 102 23.887 23.964 12.002 1.00 15.92 C +ATOM 542 CD LYS A 102 23.460 22.849 12.936 1.00 20.89 C +ATOM 543 N ALA A 103 23.922 28.027 14.316 1.00 9.82 N +ATOM 544 CA ALA A 103 24.321 28.973 15.347 1.00 10.50 C +ATOM 545 C ALA A 103 23.171 29.281 16.305 1.00 10.56 C +ATOM 546 O ALA A 103 23.362 29.289 17.525 1.00 10.75 O +ATOM 547 CB ALA A 103 24.858 30.226 14.706 1.00 10.83 C +ATOM 548 N ILE A 104 21.963 29.448 15.765 1.00 10.40 N +ATOM 549 CA ILE A 104 20.798 29.669 16.600 1.00 11.21 C +ATOM 550 C ILE A 104 20.533 28.451 17.478 1.00 11.13 C +ATOM 551 O ILE A 104 20.066 28.585 18.624 1.00 12.32 O +ATOM 552 CB ILE A 104 19.579 30.103 15.760 1.00 10.84 C +ATOM 553 CG1 ILE A 104 19.815 31.521 15.203 1.00 12.91 C +ATOM 554 CG2 ILE A 104 18.303 30.027 16.595 1.00 12.31 C +ATOM 555 CD1 ILE A 104 18.844 31.990 14.130 1.00 14.17 C +ATOM 556 N ASP A 105 20.832 27.265 16.969 1.00 11.63 N +ATOM 557 CA ASP A 105 20.655 26.096 17.787 1.00 12.45 C +ATOM 558 C ASP A 105 21.607 26.041 18.967 1.00 12.76 C +ATOM 559 O ASP A 105 21.239 25.541 20.016 1.00 13.46 O +ATOM 560 CB ASP A 105 20.700 24.808 17.004 1.00 13.22 C +ATOM 561 CG ASP A 105 20.015 23.675 17.768 1.00 16.47 C +ATOM 562 OD1 ASP A 105 18.892 23.886 18.305 1.00 19.69 O +ATOM 563 OD2 ASP A 105 20.601 22.593 17.884 1.00 21.50 O +ATOM 564 N ILE A 106 22.825 26.569 18.820 1.00 12.50 N +ATOM 565 CA ILE A 106 23.724 26.695 19.972 1.00 13.38 C +ATOM 566 C ILE A 106 23.084 27.556 21.044 1.00 13.27 C +ATOM 567 O ILE A 106 23.028 27.192 22.231 1.00 13.90 O +ATOM 568 CB ILE A 106 25.080 27.275 19.588 1.00 14.66 C +ATOM 569 CG1 ILE A 106 25.783 26.350 18.619 1.00 15.60 C +ATOM 570 CG2 ILE A 106 25.942 27.514 20.831 1.00 16.59 C +ATOM 571 CD1 ILE A 106 27.061 26.992 18.037 1.00 17.47 C +ATOM 572 N LEU A 107 22.598 28.709 20.626 1.00 12.62 N +ATOM 573 CA LEU A 107 21.872 29.619 21.494 1.00 13.16 C +ATOM 574 C LEU A 107 20.728 28.902 22.211 1.00 12.62 C +ATOM 575 O LEU A 107 20.588 28.971 23.432 1.00 13.58 O +ATOM 576 CB LEU A 107 21.328 30.791 20.676 1.00 12.94 C +ATOM 577 CG LEU A 107 20.334 31.702 21.369 1.00 13.10 C +ATOM 578 CD1 LEU A 107 20.947 32.502 22.491 1.00 14.95 C +ATOM 579 CD2 LEU A 107 19.658 32.610 20.375 1.00 14.74 C +ATOM 580 N ASP A 108 19.924 28.174 21.462 1.00 12.59 N +ATOM 581 CA ASP A 108 18.752 27.545 22.038 1.00 14.21 C +ATOM 582 C ASP A 108 19.080 26.394 22.974 1.00 14.20 C +ATOM 583 O ASP A 108 18.335 26.135 23.933 1.00 16.05 O +ATOM 584 CB ASP A 108 17.807 27.069 20.944 1.00 14.06 C +ATOM 585 CG ASP A 108 17.151 28.212 20.186 1.00 13.72 C +ATOM 586 OD1 ASP A 108 17.153 29.374 20.688 1.00 14.45 O +ATOM 587 OD2 ASP A 108 16.641 27.951 19.065 1.00 14.07 O +ATOM 588 N ARG A 109 20.181 25.703 22.733 1.00 14.84 N +ATOM 589 CA ARG A 109 20.591 24.613 23.610 1.00 16.76 C +ATOM 590 C ARG A 109 21.269 25.077 24.881 1.00 17.64 C +ATOM 591 O ARG A 109 21.387 24.303 25.830 1.00 20.48 O +ATOM 592 CB ARG A 109 21.486 23.626 22.882 1.00 17.22 C +ATOM 593 CG ARG A 109 20.722 22.837 21.871 1.00 19.81 C +ATOM 594 CD ARG A 109 21.645 21.991 21.024 1.00 25.26 C +ATOM 595 NE ARG A 109 20.862 21.079 20.202 1.00 27.52 N +ATOM 596 CZ ARG A 109 20.505 19.851 20.561 1.00 29.31 C +ATOM 597 NH1 ARG A 109 20.836 19.355 21.751 1.00 30.27 N +ATOM 598 NH2 ARG A 109 19.789 19.124 19.718 1.00 29.92 N +ATOM 599 N SER A 110 21.712 26.327 24.927 1.00 16.80 N +ATOM 600 CA SER A 110 22.422 26.833 26.097 1.00 18.26 C +ATOM 601 C SER A 110 21.469 27.505 27.063 1.00 18.47 C +ATOM 602 O SER A 110 20.746 28.418 26.694 1.00 19.41 O +ATOM 603 CB SER A 110 23.467 27.854 25.677 1.00 18.10 C +ATOM 604 OG SER A 110 23.948 28.527 26.833 1.00 19.38 O +ATOM 605 N SER A 111 21.499 27.104 28.326 1.00 19.46 N +ATOM 606 CA SER A 111 20.669 27.777 29.333 1.00 20.16 C +ATOM 607 C SER A 111 21.158 29.188 29.685 1.00 18.73 C +ATOM 608 O SER A 111 20.362 30.068 30.014 1.00 20.61 O +ATOM 609 CB SER A 111 20.549 26.950 30.622 1.00 21.55 C +ATOM 610 OG SER A 111 21.809 26.543 31.090 1.00 25.18 O +ATOM 611 N SER A 112 22.457 29.422 29.577 1.00 18.10 N +ATOM 612 CA SER A 112 23.009 30.708 29.971 1.00 18.60 C +ATOM 613 C SER A 112 23.065 31.743 28.874 1.00 17.85 C +ATOM 614 O SER A 112 23.060 32.938 29.181 1.00 19.02 O +ATOM 615 CB SER A 112 24.415 30.523 30.530 1.00 19.66 C +ATOM 616 OG SER A 112 25.207 29.826 29.607 1.00 23.37 O +ATOM 629 N LYS A 114 21.844 34.196 26.231 1.00 15.05 N +ATOM 630 CA LYS A 114 20.610 34.945 26.049 1.00 15.03 C +ATOM 631 C LYS A 114 20.608 35.775 24.755 1.00 14.55 C +ATOM 632 O LYS A 114 19.569 36.347 24.371 1.00 14.89 O +ATOM 633 CB LYS A 114 20.326 35.837 27.269 1.00 16.56 C +ATOM 634 CG LYS A 114 20.249 35.106 28.629 1.00 18.91 C +ATOM 635 CD LYS A 114 19.114 34.136 28.671 1.00 18.90 C +ATOM 636 CE LYS A 114 18.971 33.443 30.045 1.00 18.65 C +ATOM 637 NZ LYS A 114 18.474 34.281 31.187 1.00 17.86 N +ATOM 638 N SER A 115 21.765 35.837 24.097 1.00 13.86 N +ATOM 639 CA SER A 115 21.861 36.461 22.791 1.00 13.15 C +ATOM 640 C SER A 115 22.917 35.740 21.969 1.00 12.68 C +ATOM 641 O SER A 115 23.797 35.049 22.512 1.00 14.34 O +ATOM 642 CB SER A 115 22.173 37.954 22.905 1.00 14.52 C +ATOM 643 OG SER A 115 23.411 38.186 23.510 1.00 16.95 O +ATOM 644 N LEU A 116 22.807 35.877 20.665 1.00 12.22 N +ATOM 645 CA LEU A 116 23.710 35.261 19.734 1.00 12.58 C +ATOM 646 C LEU A 116 24.834 36.243 19.409 1.00 12.87 C +ATOM 647 O LEU A 116 24.572 37.297 18.850 1.00 12.55 O +ATOM 648 CB LEU A 116 22.962 34.874 18.466 1.00 13.65 C +ATOM 649 CG LEU A 116 23.787 34.042 17.496 1.00 14.23 C +ATOM 650 CD1 LEU A 116 24.058 32.657 18.074 1.00 16.19 C +ATOM 651 CD2 LEU A 116 23.087 33.961 16.161 1.00 15.63 C +ATOM 652 N ARG A 117 26.074 35.900 19.753 1.00 13.21 N +ATOM 653 CA ARG A 117 27.205 36.802 19.531 1.00 14.45 C +ATOM 654 C ARG A 117 27.688 36.715 18.086 1.00 12.72 C +ATOM 655 O ARG A 117 28.195 35.669 17.666 1.00 12.62 O +ATOM 656 CB AARG A 117 28.377 36.473 20.469 0.50 15.48 C +ATOM 657 CB BARG A 117 28.323 36.441 20.520 0.50 15.53 C +ATOM 658 CG AARG A 117 28.146 36.859 21.920 0.50 17.88 C +ATOM 659 CG BARG A 117 29.580 37.274 20.416 0.50 17.88 C +ATOM 660 CD AARG A 117 29.274 36.386 22.833 0.50 18.46 C +ATOM 661 CD BARG A 117 30.218 37.568 21.779 0.50 20.92 C +ATOM 662 NE AARG A 117 30.553 37.072 22.602 0.50 21.80 N +ATOM 663 NE BARG A 117 30.393 36.394 22.633 0.50 24.36 N +ATOM 664 CZ AARG A 117 31.734 36.643 23.057 0.50 22.95 C +ATOM 665 CZ BARG A 117 31.549 35.967 23.156 0.50 23.87 C +ATOM 666 NH1AARG A 117 31.827 35.509 23.748 0.50 22.82 N +ATOM 667 NH1BARG A 117 32.702 36.592 22.936 0.50 23.49 N +ATOM 668 NH2AARG A 117 32.838 37.332 22.801 0.50 22.80 N +ATOM 669 NH2BARG A 117 31.544 34.882 23.918 0.50 22.18 N +ATOM 670 N ILE A 118 27.615 37.817 17.360 1.00 11.62 N +ATOM 671 CA ILE A 118 28.075 37.903 15.988 1.00 12.44 C +ATOM 672 C ILE A 118 29.078 39.035 15.833 1.00 12.62 C +ATOM 673 O ILE A 118 28.754 40.195 16.110 1.00 14.29 O +ATOM 674 CB ILE A 118 26.894 38.128 15.013 1.00 12.58 C +ATOM 675 CG1AILE A 118 25.873 36.995 15.087 0.50 12.49 C +ATOM 676 CG1BILE A 118 25.962 36.896 15.060 0.50 13.81 C +ATOM 677 CG2 ILE A 118 27.424 38.389 13.606 1.00 13.27 C +ATOM 678 CD1AILE A 118 26.361 35.693 14.594 0.50 10.68 C +ATOM 679 CD1BILE A 118 24.953 36.715 13.879 0.50 14.43 C +ATOM 680 N LEU A 119 30.290 38.683 15.415 1.00 11.89 N +ATOM 681 CA LEU A 119 31.324 39.650 15.083 1.00 12.73 C +ATOM 682 C LEU A 119 31.155 40.024 13.615 1.00 11.87 C +ATOM 683 O LEU A 119 31.058 39.142 12.757 1.00 12.79 O +ATOM 684 CB LEU A 119 32.692 39.009 15.306 1.00 13.49 C +ATOM 685 CG LEU A 119 33.878 39.838 14.850 1.00 14.76 C +ATOM 686 CD1 LEU A 119 34.034 41.095 15.670 1.00 15.43 C +ATOM 687 CD2 LEU A 119 35.135 38.995 14.993 1.00 17.10 C +ATOM 688 N LEU A 120 31.076 41.325 13.324 1.00 11.66 N +ATOM 689 CA LEU A 120 30.945 41.823 11.964 1.00 11.59 C +ATOM 690 C LEU A 120 32.298 42.299 11.458 1.00 12.60 C +ATOM 691 O LEU A 120 32.977 43.102 12.117 1.00 14.44 O +ATOM 692 CB LEU A 120 29.969 42.995 11.962 1.00 11.71 C +ATOM 693 CG LEU A 120 28.537 42.609 12.356 1.00 11.78 C +ATOM 694 CD1 LEU A 120 27.681 43.854 12.443 1.00 12.04 C +ATOM 695 CD2 LEU A 120 27.912 41.641 11.388 1.00 10.92 C +ATOM 696 N LEU A 121 32.683 41.798 10.300 1.00 13.45 N +ATOM 697 CA LEU A 121 33.952 42.182 9.677 1.00 15.36 C +ATOM 698 C LEU A 121 33.725 42.571 8.235 1.00 17.77 C +ATOM 699 O LEU A 121 32.951 41.923 7.526 1.00 17.87 O +ATOM 700 CB LEU A 121 34.948 41.018 9.739 1.00 15.63 C +ATOM 701 CG LEU A 121 35.451 40.631 11.138 1.00 16.20 C +ATOM 702 CD1 LEU A 121 36.303 39.367 11.083 1.00 18.72 C +ATOM 703 CD2 LEU A 121 36.189 41.781 11.813 1.00 17.53 C +ATOM 704 N SER A 122 34.402 43.629 7.797 1.00 20.49 N +ATOM 705 CA SER A 122 34.335 44.047 6.403 1.00 22.73 C +ATOM 706 C SER A 122 35.216 43.094 5.632 1.00 23.88 C +ATOM 707 O SER A 122 36.364 42.838 6.041 1.00 25.05 O +ATOM 708 CB SER A 122 34.807 45.494 6.240 1.00 24.13 C +ATOM 709 OG SER A 122 34.476 45.994 4.954 1.00 27.72 O Added: SwiftApps/modFTdock/input/indata/2cq7-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2cq7-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2cq7-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,660 @@ +ATOM 1 N GLY A 1 -11.642 -13.062 17.137 1.00 0.00 N +ATOM 2 CA GLY A 1 -10.894 -13.062 15.891 1.00 0.00 C +ATOM 3 C GLY A 1 -10.087 -11.771 15.736 1.00 0.00 C +ATOM 4 O GLY A 1 -10.650 -10.712 15.465 1.00 0.00 O +ATOM 5 H1 GLY A 1 -11.083 -13.062 17.966 1.00 0.00 H +ATOM 6 HA2 GLY A 1 -10.222 -13.920 15.866 1.00 0.00 H +ATOM 7 HA3 GLY A 1 -11.580 -13.169 15.051 1.00 0.00 H +ATOM 8 N SER A 2 -8.781 -11.902 15.916 1.00 0.00 N +ATOM 9 CA SER A 2 -7.891 -10.760 15.800 1.00 0.00 C +ATOM 10 C SER A 2 -7.377 -10.641 14.363 1.00 0.00 C +ATOM 11 O SER A 2 -7.469 -9.576 13.754 1.00 0.00 O +ATOM 12 CB SER A 2 -6.717 -10.874 16.775 1.00 0.00 C +ATOM 13 OG SER A 2 -6.050 -12.128 16.663 1.00 0.00 O +ATOM 14 H SER A 2 -8.331 -12.768 16.137 1.00 0.00 H +ATOM 15 HA SER A 2 -8.498 -9.893 16.062 1.00 0.00 H +ATOM 16 HB2 SER A 2 -6.009 -10.068 16.585 1.00 0.00 H +ATOM 17 HB3 SER A 2 -7.080 -10.746 17.795 1.00 0.00 H +ATOM 18 HG SER A 2 -5.526 -12.161 15.812 1.00 0.00 H +ATOM 19 N SER A 3 -6.848 -11.748 13.864 1.00 0.00 N +ATOM 20 CA SER A 3 -6.320 -11.781 12.511 1.00 0.00 C +ATOM 21 C SER A 3 -7.454 -12.018 11.512 1.00 0.00 C +ATOM 22 O SER A 3 -7.907 -13.149 11.339 1.00 0.00 O +ATOM 23 CB SER A 3 -5.248 -12.863 12.364 1.00 0.00 C +ATOM 24 OG SER A 3 -4.045 -12.519 13.046 1.00 0.00 O +ATOM 25 H SER A 3 -6.778 -12.610 14.366 1.00 0.00 H +ATOM 26 HA SER A 3 -5.870 -10.801 12.353 1.00 0.00 H +ATOM 27 HB2 SER A 3 -5.630 -13.806 12.755 1.00 0.00 H +ATOM 28 HB3 SER A 3 -5.034 -13.020 11.307 1.00 0.00 H +ATOM 29 HG SER A 3 -4.075 -11.560 13.329 1.00 0.00 H +ATOM 30 N GLY A 4 -7.881 -10.934 10.880 1.00 0.00 N +ATOM 31 CA GLY A 4 -8.954 -11.011 9.903 1.00 0.00 C +ATOM 32 C GLY A 4 -8.841 -9.883 8.876 1.00 0.00 C +ATOM 33 O GLY A 4 -7.991 -9.003 9.005 1.00 0.00 O +ATOM 34 H GLY A 4 -7.507 -10.019 11.027 1.00 0.00 H +ATOM 35 HA2 GLY A 4 -8.920 -11.975 9.396 1.00 0.00 H +ATOM 36 HA3 GLY A 4 -9.917 -10.951 10.410 1.00 0.00 H +ATOM 37 N SER A 5 -9.710 -9.945 7.878 1.00 0.00 N +ATOM 38 CA SER A 5 -9.719 -8.940 6.829 1.00 0.00 C +ATOM 39 C SER A 5 -10.695 -7.818 7.187 1.00 0.00 C +ATOM 40 O SER A 5 -11.909 -8.013 7.157 1.00 0.00 O +ATOM 41 CB SER A 5 -10.090 -9.556 5.479 1.00 0.00 C +ATOM 42 OG SER A 5 -11.433 -10.032 5.461 1.00 0.00 O +ATOM 43 H SER A 5 -10.398 -10.664 7.780 1.00 0.00 H +ATOM 44 HA SER A 5 -8.698 -8.560 6.785 1.00 0.00 H +ATOM 45 HB2 SER A 5 -9.959 -8.813 4.692 1.00 0.00 H +ATOM 46 HB3 SER A 5 -9.411 -10.379 5.256 1.00 0.00 H +ATOM 47 HG SER A 5 -11.924 -9.703 6.268 1.00 0.00 H +ATOM 48 N SER A 6 -10.128 -6.667 7.519 1.00 0.00 N +ATOM 49 CA SER A 6 -10.934 -5.514 7.882 1.00 0.00 C +ATOM 50 C SER A 6 -10.400 -4.261 7.184 1.00 0.00 C +ATOM 51 O SER A 6 -9.190 -4.100 7.032 1.00 0.00 O +ATOM 52 CB SER A 6 -10.951 -5.310 9.399 1.00 0.00 C +ATOM 53 OG SER A 6 -11.695 -4.154 9.774 1.00 0.00 O +ATOM 54 H SER A 6 -9.140 -6.516 7.541 1.00 0.00 H +ATOM 55 HA SER A 6 -11.941 -5.744 7.536 1.00 0.00 H +ATOM 56 HB2 SER A 6 -11.381 -6.189 9.878 1.00 0.00 H +ATOM 57 HB3 SER A 6 -9.928 -5.217 9.763 1.00 0.00 H +ATOM 58 HG SER A 6 -12.306 -3.885 9.030 1.00 0.00 H +ATOM 59 N GLY A 7 -11.328 -3.407 6.779 1.00 0.00 N +ATOM 60 CA GLY A 7 -10.966 -2.175 6.101 1.00 0.00 C +ATOM 61 C GLY A 7 -10.090 -2.458 4.878 1.00 0.00 C +ATOM 62 O GLY A 7 -8.876 -2.608 5.001 1.00 0.00 O +ATOM 63 H GLY A 7 -12.310 -3.546 6.907 1.00 0.00 H +ATOM 64 HA2 GLY A 7 -11.868 -1.647 5.792 1.00 0.00 H +ATOM 65 HA3 GLY A 7 -10.433 -1.519 6.790 1.00 0.00 H +ATOM 66 N SER A 8 -10.742 -2.523 3.726 1.00 0.00 N +ATOM 67 CA SER A 8 -10.038 -2.786 2.482 1.00 0.00 C +ATOM 68 C SER A 8 -10.756 -2.099 1.319 1.00 0.00 C +ATOM 69 O SER A 8 -11.973 -2.212 1.183 1.00 0.00 O +ATOM 70 CB SER A 8 -9.923 -4.289 2.222 1.00 0.00 C +ATOM 71 OG SER A 8 -8.569 -4.733 2.249 1.00 0.00 O +ATOM 72 H SER A 8 -11.730 -2.400 3.635 1.00 0.00 H +ATOM 73 HA SER A 8 -9.042 -2.364 2.620 1.00 0.00 H +ATOM 74 HB2 SER A 8 -10.498 -4.832 2.972 1.00 0.00 H +ATOM 75 HB3 SER A 8 -10.362 -4.523 1.252 1.00 0.00 H +ATOM 76 HG SER A 8 -8.046 -4.283 1.526 1.00 0.00 H +ATOM 77 N CYS A 9 -9.972 -1.401 0.510 1.00 0.00 N +ATOM 78 CA CYS A 9 -10.518 -0.696 -0.637 1.00 0.00 C +ATOM 79 C CYS A 9 -10.709 -1.703 -1.773 1.00 0.00 C +ATOM 80 O CYS A 9 -11.837 -2.006 -2.156 1.00 0.00 O +ATOM 81 CB CYS A 9 -9.629 0.476 -1.056 1.00 0.00 C +ATOM 82 SG CYS A 9 -9.035 1.521 0.325 1.00 0.00 S +ATOM 83 H CYS A 9 -8.983 -1.314 0.628 1.00 0.00 H +ATOM 84 HA CYS A 9 -11.476 -0.282 -0.322 1.00 0.00 H +ATOM 85 HB2 CYS A 9 -8.766 0.085 -1.594 1.00 0.00 H +ATOM 86 HB3 CYS A 9 -10.184 1.103 -1.754 1.00 0.00 H +ATOM 87 N GLN A 10 -9.587 -2.193 -2.281 1.00 0.00 N +ATOM 88 CA GLN A 10 -9.616 -3.159 -3.366 1.00 0.00 C +ATOM 89 C GLN A 10 -8.290 -3.919 -3.436 1.00 0.00 C +ATOM 90 O GLN A 10 -8.258 -5.135 -3.256 1.00 0.00 O +ATOM 91 CB GLN A 10 -9.928 -2.476 -4.699 1.00 0.00 C +ATOM 92 CG GLN A 10 -10.945 -3.286 -5.506 1.00 0.00 C +ATOM 93 CD GLN A 10 -11.933 -2.366 -6.225 1.00 0.00 C +ATOM 94 OE1 GLN A 10 -12.446 -1.408 -5.669 1.00 0.00 O +ATOM 95 NE2 GLN A 10 -12.170 -2.707 -7.488 1.00 0.00 N +ATOM 96 H GLN A 10 -8.673 -1.941 -1.964 1.00 0.00 H +ATOM 97 HA GLN A 10 -10.425 -3.847 -3.120 1.00 0.00 H +ATOM 98 HB2 GLN A 10 -10.318 -1.475 -4.517 1.00 0.00 H +ATOM 99 HB3 GLN A 10 -9.010 -2.361 -5.276 1.00 0.00 H +ATOM 100 HG2 GLN A 10 -10.424 -3.907 -6.235 1.00 0.00 H +ATOM 101 HG3 GLN A 10 -11.487 -3.960 -4.842 1.00 0.00 H +ATOM 102 HE21 GLN A 10 -11.715 -3.506 -7.884 1.00 0.00 H +ATOM 103 HE22 GLN A 10 -12.802 -2.166 -8.042 1.00 0.00 H +ATOM 104 N TYR A 11 -7.229 -3.170 -3.697 1.00 0.00 N +ATOM 105 CA TYR A 11 -5.904 -3.759 -3.793 1.00 0.00 C +ATOM 106 C TYR A 11 -5.458 -4.328 -2.445 1.00 0.00 C +ATOM 107 O TYR A 11 -5.958 -3.919 -1.398 1.00 0.00 O +ATOM 108 CB TYR A 11 -4.963 -2.618 -4.187 1.00 0.00 C +ATOM 109 CG TYR A 11 -5.174 -2.101 -5.611 1.00 0.00 C +ATOM 110 CD1 TYR A 11 -4.564 -2.738 -6.673 1.00 0.00 C +ATOM 111 CD2 TYR A 11 -5.974 -0.999 -5.835 1.00 0.00 C +ATOM 112 CE1 TYR A 11 -4.762 -2.252 -8.014 1.00 0.00 C +ATOM 113 CE2 TYR A 11 -6.172 -0.513 -7.176 1.00 0.00 C +ATOM 114 CZ TYR A 11 -5.557 -1.164 -8.199 1.00 0.00 C +ATOM 115 OH TYR A 11 -5.744 -0.705 -9.466 1.00 0.00 O +ATOM 116 H TYR A 11 -7.264 -2.182 -3.842 1.00 0.00 H +ATOM 117 HA TYR A 11 -5.946 -4.566 -4.524 1.00 0.00 H +ATOM 118 HB2 TYR A 11 -5.098 -1.792 -3.488 1.00 0.00 H +ATOM 119 HB3 TYR A 11 -3.933 -2.957 -4.083 1.00 0.00 H +ATOM 120 HD1 TYR A 11 -3.932 -3.608 -6.497 1.00 0.00 H +ATOM 121 HD2 TYR A 11 -6.456 -0.497 -4.996 1.00 0.00 H +ATOM 122 HE1 TYR A 11 -4.286 -2.745 -8.862 1.00 0.00 H +ATOM 123 HE2 TYR A 11 -6.802 0.356 -7.366 1.00 0.00 H +ATOM 124 HH TYR A 11 -4.897 -0.302 -9.812 1.00 0.00 H +ATOM 125 N GLN A 12 -4.523 -5.264 -2.514 1.00 0.00 N +ATOM 126 CA GLN A 12 -4.004 -5.894 -1.312 1.00 0.00 C +ATOM 127 C GLN A 12 -2.475 -5.849 -1.306 1.00 0.00 C +ATOM 128 O GLN A 12 -1.822 -6.736 -1.854 1.00 0.00 O +ATOM 129 CB GLN A 12 -4.510 -7.333 -1.185 1.00 0.00 C +ATOM 130 CG GLN A 12 -5.025 -7.610 0.229 1.00 0.00 C +ATOM 131 CD GLN A 12 -6.061 -8.736 0.224 1.00 0.00 C +ATOM 132 OE1 GLN A 12 -5.888 -9.770 -0.399 1.00 0.00 O +ATOM 133 NE2 GLN A 12 -7.143 -8.479 0.953 1.00 0.00 N +ATOM 134 H GLN A 12 -4.121 -5.591 -3.369 1.00 0.00 H +ATOM 135 HA GLN A 12 -4.395 -5.304 -0.483 1.00 0.00 H +ATOM 136 HB2 GLN A 12 -5.308 -7.506 -1.907 1.00 0.00 H +ATOM 137 HB3 GLN A 12 -3.706 -8.028 -1.425 1.00 0.00 H +ATOM 138 HG2 GLN A 12 -4.191 -7.880 0.877 1.00 0.00 H +ATOM 139 HG3 GLN A 12 -5.470 -6.704 0.642 1.00 0.00 H +ATOM 140 HE21 GLN A 12 -7.222 -7.610 1.441 1.00 0.00 H +ATOM 141 HE22 GLN A 12 -7.878 -9.155 1.013 1.00 0.00 H +ATOM 142 N ASP A 13 -1.948 -4.807 -0.681 1.00 0.00 N +ATOM 143 CA ASP A 13 -0.508 -4.634 -0.596 1.00 0.00 C +ATOM 144 C ASP A 13 0.150 -5.990 -0.334 1.00 0.00 C +ATOM 145 O ASP A 13 -0.258 -6.717 0.570 1.00 0.00 O +ATOM 146 CB ASP A 13 -0.132 -3.696 0.553 1.00 0.00 C +ATOM 147 CG ASP A 13 -1.191 -3.559 1.648 1.00 0.00 C +ATOM 148 OD1 ASP A 13 -1.685 -4.616 2.097 1.00 0.00 O +ATOM 149 OD2 ASP A 13 -1.483 -2.399 2.012 1.00 0.00 O +ATOM 150 H ASP A 13 -2.486 -4.090 -0.237 1.00 0.00 H +ATOM 151 HA ASP A 13 -0.214 -4.206 -1.555 1.00 0.00 H +ATOM 152 HB2 ASP A 13 0.793 -4.054 1.006 1.00 0.00 H +ATOM 153 HB3 ASP A 13 0.076 -2.708 0.143 1.00 0.00 H +ATOM 154 N LEU A 14 1.156 -6.290 -1.142 1.00 0.00 N +ATOM 155 CA LEU A 14 1.874 -7.546 -1.009 1.00 0.00 C +ATOM 156 C LEU A 14 2.751 -7.498 0.244 1.00 0.00 C +ATOM 157 O LEU A 14 2.965 -8.518 0.896 1.00 0.00 O +ATOM 158 CB LEU A 14 2.650 -7.859 -2.290 1.00 0.00 C +ATOM 159 CG LEU A 14 1.818 -8.364 -3.471 1.00 0.00 C +ATOM 160 CD1 LEU A 14 1.552 -9.866 -3.351 1.00 0.00 C +ATOM 161 CD2 LEU A 14 0.524 -7.561 -3.614 1.00 0.00 C +ATOM 162 H LEU A 14 1.482 -5.693 -1.876 1.00 0.00 H +ATOM 163 HA LEU A 14 1.132 -8.335 -0.881 1.00 0.00 H +ATOM 164 HB2 LEU A 14 3.176 -6.956 -2.602 1.00 0.00 H +ATOM 165 HB3 LEU A 14 3.408 -8.607 -2.059 1.00 0.00 H +ATOM 166 HG LEU A 14 2.394 -8.211 -4.384 1.00 0.00 H +ATOM 167 HD11 LEU A 14 2.443 -10.364 -2.971 1.00 0.00 H +ATOM 168 HD12 LEU A 14 0.721 -10.033 -2.666 1.00 0.00 H +ATOM 169 HD13 LEU A 14 1.301 -10.269 -4.332 1.00 0.00 H +ATOM 170 HD21 LEU A 14 0.749 -6.496 -3.566 1.00 0.00 H +ATOM 171 HD22 LEU A 14 0.057 -7.791 -4.572 1.00 0.00 H +ATOM 172 HD23 LEU A 14 -0.158 -7.825 -2.805 1.00 0.00 H +ATOM 173 N LEU A 15 3.235 -6.301 0.543 1.00 0.00 N +ATOM 174 CA LEU A 15 4.083 -6.106 1.706 1.00 0.00 C +ATOM 175 C LEU A 15 3.208 -5.958 2.952 1.00 0.00 C +ATOM 176 O LEU A 15 2.008 -6.227 2.907 1.00 0.00 O +ATOM 177 CB LEU A 15 5.037 -4.930 1.482 1.00 0.00 C +ATOM 178 CG LEU A 15 5.959 -5.037 0.265 1.00 0.00 C +ATOM 179 CD1 LEU A 15 6.387 -3.651 -0.221 1.00 0.00 C +ATOM 180 CD2 LEU A 15 7.160 -5.936 0.564 1.00 0.00 C +ATOM 181 H LEU A 15 3.056 -5.476 0.007 1.00 0.00 H +ATOM 182 HA LEU A 15 4.695 -7.001 1.817 1.00 0.00 H +ATOM 183 HB2 LEU A 15 4.445 -4.021 1.386 1.00 0.00 H +ATOM 184 HB3 LEU A 15 5.655 -4.815 2.372 1.00 0.00 H +ATOM 185 HG LEU A 15 5.401 -5.504 -0.546 1.00 0.00 H +ATOM 186 HD11 LEU A 15 5.922 -3.444 -1.184 1.00 0.00 H +ATOM 187 HD12 LEU A 15 6.074 -2.899 0.504 1.00 0.00 H +ATOM 188 HD13 LEU A 15 7.472 -3.623 -0.328 1.00 0.00 H +ATOM 189 HD21 LEU A 15 8.004 -5.322 0.878 1.00 0.00 H +ATOM 190 HD22 LEU A 15 6.902 -6.634 1.361 1.00 0.00 H +ATOM 191 HD23 LEU A 15 7.429 -6.493 -0.333 1.00 0.00 H +ATOM 192 N SER A 16 3.841 -5.532 4.034 1.00 0.00 N +ATOM 193 CA SER A 16 3.135 -5.345 5.290 1.00 0.00 C +ATOM 194 C SER A 16 3.401 -3.941 5.837 1.00 0.00 C +ATOM 195 O SER A 16 2.482 -3.266 6.297 1.00 0.00 O +ATOM 196 CB SER A 16 3.548 -6.402 6.317 1.00 0.00 C +ATOM 197 OG SER A 16 2.574 -6.557 7.345 1.00 0.00 O +ATOM 198 H SER A 16 4.817 -5.315 4.062 1.00 0.00 H +ATOM 199 HA SER A 16 2.079 -5.468 5.048 1.00 0.00 H +ATOM 200 HB2 SER A 16 3.699 -7.357 5.813 1.00 0.00 H +ATOM 201 HB3 SER A 16 4.503 -6.122 6.761 1.00 0.00 H +ATOM 202 HG SER A 16 2.802 -7.345 7.916 1.00 0.00 H +ATOM 203 N ASN A 17 4.663 -3.544 5.768 1.00 0.00 N +ATOM 204 CA ASN A 17 5.062 -2.232 6.251 1.00 0.00 C +ATOM 205 C ASN A 17 4.945 -1.217 5.112 1.00 0.00 C +ATOM 206 O ASN A 17 5.827 -0.380 4.929 1.00 0.00 O +ATOM 207 CB ASN A 17 6.514 -2.240 6.730 1.00 0.00 C +ATOM 208 CG ASN A 17 7.423 -2.936 5.715 1.00 0.00 C +ATOM 209 OD1 ASN A 17 7.138 -4.017 5.226 1.00 0.00 O +ATOM 210 ND2 ASN A 17 8.530 -2.258 5.425 1.00 0.00 N +ATOM 211 H ASN A 17 5.405 -4.099 5.392 1.00 0.00 H +ATOM 212 HA ASN A 17 4.384 -2.013 7.076 1.00 0.00 H +ATOM 213 HB2 ASN A 17 6.855 -1.216 6.887 1.00 0.00 H +ATOM 214 HB3 ASN A 17 6.581 -2.749 7.692 1.00 0.00 H +ATOM 215 HD21 ASN A 17 8.704 -1.375 5.862 1.00 0.00 H +ATOM 216 HD22 ASN A 17 9.188 -2.631 4.771 1.00 0.00 H +ATOM 217 N CYS A 18 3.849 -1.325 4.376 1.00 0.00 N +ATOM 218 CA CYS A 18 3.605 -0.428 3.259 1.00 0.00 C +ATOM 219 C CYS A 18 3.505 0.999 3.803 1.00 0.00 C +ATOM 220 O CYS A 18 4.264 1.877 3.396 1.00 0.00 O +ATOM 221 CB CYS A 18 2.354 -0.828 2.474 1.00 0.00 C +ATOM 222 SG CYS A 18 2.598 -2.203 1.292 1.00 0.00 S +ATOM 223 H CYS A 18 3.136 -2.009 4.531 1.00 0.00 H +ATOM 224 HA CYS A 18 4.457 -0.526 2.587 1.00 0.00 H +ATOM 225 HB2 CYS A 18 1.573 -1.109 3.180 1.00 0.00 H +ATOM 226 HB3 CYS A 18 1.992 0.043 1.927 1.00 0.00 H +ATOM 227 N ASP A 19 2.563 1.186 4.716 1.00 0.00 N +ATOM 228 CA ASP A 19 2.354 2.491 5.320 1.00 0.00 C +ATOM 229 C ASP A 19 3.678 3.001 5.892 1.00 0.00 C +ATOM 230 O ASP A 19 4.237 3.978 5.396 1.00 0.00 O +ATOM 231 CB ASP A 19 1.344 2.412 6.466 1.00 0.00 C +ATOM 232 CG ASP A 19 0.263 3.494 6.451 1.00 0.00 C +ATOM 233 OD1 ASP A 19 0.638 4.673 6.630 1.00 0.00 O +ATOM 234 OD2 ASP A 19 -0.914 3.119 6.260 1.00 0.00 O +ATOM 235 H ASP A 19 1.950 0.466 5.042 1.00 0.00 H +ATOM 236 HA ASP A 19 1.976 3.121 4.516 1.00 0.00 H +ATOM 237 HB2 ASP A 19 0.859 1.436 6.437 1.00 0.00 H +ATOM 238 HB3 ASP A 19 1.883 2.471 7.411 1.00 0.00 H +ATOM 239 N SER A 20 4.142 2.317 6.927 1.00 0.00 N +ATOM 240 CA SER A 20 5.390 2.688 7.572 1.00 0.00 C +ATOM 241 C SER A 20 6.415 3.116 6.519 1.00 0.00 C +ATOM 242 O SER A 20 7.214 4.021 6.757 1.00 0.00 O +ATOM 243 CB SER A 20 5.942 1.535 8.411 1.00 0.00 C +ATOM 244 OG SER A 20 5.060 1.177 9.472 1.00 0.00 O +ATOM 245 H SER A 20 3.681 1.523 7.325 1.00 0.00 H +ATOM 246 HA SER A 20 5.140 3.525 8.224 1.00 0.00 H +ATOM 247 HB2 SER A 20 6.109 0.668 7.771 1.00 0.00 H +ATOM 248 HB3 SER A 20 6.910 1.817 8.825 1.00 0.00 H +ATOM 249 HG SER A 20 4.120 1.425 9.234 1.00 0.00 H +ATOM 250 N LEU A 21 6.360 2.446 5.378 1.00 0.00 N +ATOM 251 CA LEU A 21 7.273 2.745 4.289 1.00 0.00 C +ATOM 252 C LEU A 21 6.830 4.036 3.598 1.00 0.00 C +ATOM 253 O LEU A 21 7.476 5.074 3.740 1.00 0.00 O +ATOM 254 CB LEU A 21 7.388 1.549 3.342 1.00 0.00 C +ATOM 255 CG LEU A 21 8.234 0.376 3.842 1.00 0.00 C +ATOM 256 CD1 LEU A 21 7.945 -0.891 3.035 1.00 0.00 C +ATOM 257 CD2 LEU A 21 9.722 0.732 3.836 1.00 0.00 C +ATOM 258 H LEU A 21 5.707 1.711 5.193 1.00 0.00 H +ATOM 259 HA LEU A 21 8.259 2.907 4.725 1.00 0.00 H +ATOM 260 HB2 LEU A 21 6.384 1.182 3.128 1.00 0.00 H +ATOM 261 HB3 LEU A 21 7.807 1.897 2.398 1.00 0.00 H +ATOM 262 HG LEU A 21 7.956 0.171 4.875 1.00 0.00 H +ATOM 263 HD11 LEU A 21 8.882 -1.402 2.813 1.00 0.00 H +ATOM 264 HD12 LEU A 21 7.300 -1.552 3.615 1.00 0.00 H +ATOM 265 HD13 LEU A 21 7.447 -0.624 2.104 1.00 0.00 H +ATOM 266 HD21 LEU A 21 9.837 1.814 3.908 1.00 0.00 H +ATOM 267 HD22 LEU A 21 10.212 0.258 4.686 1.00 0.00 H +ATOM 268 HD23 LEU A 21 10.177 0.379 2.911 1.00 0.00 H +ATOM 269 N LYS A 22 5.732 3.931 2.865 1.00 0.00 N +ATOM 270 CA LYS A 22 5.195 5.077 2.151 1.00 0.00 C +ATOM 271 C LYS A 22 5.279 6.314 3.047 1.00 0.00 C +ATOM 272 O LYS A 22 5.659 7.391 2.590 1.00 0.00 O +ATOM 273 CB LYS A 22 3.783 4.779 1.644 1.00 0.00 C +ATOM 274 CG LYS A 22 3.170 6.011 0.975 1.00 0.00 C +ATOM 275 CD LYS A 22 1.850 6.399 1.644 1.00 0.00 C +ATOM 276 CE LYS A 22 0.656 6.010 0.770 1.00 0.00 C +ATOM 277 NZ LYS A 22 0.279 7.131 -0.120 1.00 0.00 N +ATOM 278 H LYS A 22 5.213 3.083 2.754 1.00 0.00 H +ATOM 279 HA LYS A 22 5.824 5.241 1.276 1.00 0.00 H +ATOM 280 HB2 LYS A 22 3.814 3.953 0.934 1.00 0.00 H +ATOM 281 HB3 LYS A 22 3.153 4.461 2.475 1.00 0.00 H +ATOM 282 HG2 LYS A 22 3.869 6.845 1.030 1.00 0.00 H +ATOM 283 HG3 LYS A 22 2.999 5.808 -0.083 1.00 0.00 H +ATOM 284 HD2 LYS A 22 1.771 5.906 2.613 1.00 0.00 H +ATOM 285 HD3 LYS A 22 1.834 7.473 1.831 1.00 0.00 H +ATOM 286 HE2 LYS A 22 0.905 5.133 0.173 1.00 0.00 H +ATOM 287 HE3 LYS A 22 -0.190 5.737 1.400 1.00 0.00 H +ATOM 288 HZ1 LYS A 22 -0.586 7.526 0.190 1.00 0.00 H +ATOM 289 HZ2 LYS A 22 0.992 7.831 -0.095 1.00 0.00 H +ATOM 290 HZ3 LYS A 22 0.175 6.794 -1.056 1.00 0.00 H +ATOM 291 N ASN A 23 4.917 6.119 4.307 1.00 0.00 N +ATOM 292 CA ASN A 23 4.946 7.206 5.270 1.00 0.00 C +ATOM 293 C ASN A 23 6.207 8.044 5.051 1.00 0.00 C +ATOM 294 O ASN A 23 6.170 9.268 5.157 1.00 0.00 O +ATOM 295 CB ASN A 23 4.977 6.671 6.703 1.00 0.00 C +ATOM 296 CG ASN A 23 3.633 6.890 7.401 1.00 0.00 C +ATOM 297 OD1 ASN A 23 3.018 7.939 7.304 1.00 0.00 O +ATOM 298 ND2 ASN A 23 3.213 5.844 8.107 1.00 0.00 N +ATOM 299 H ASN A 23 4.608 5.240 4.670 1.00 0.00 H +ATOM 300 HA ASN A 23 4.032 7.773 5.091 1.00 0.00 H +ATOM 301 HB2 ASN A 23 5.217 5.607 6.693 1.00 0.00 H +ATOM 302 HB3 ASN A 23 5.768 7.170 7.264 1.00 0.00 H +ATOM 303 HD21 ASN A 23 3.767 5.012 8.145 1.00 0.00 H +ATOM 304 HD22 ASN A 23 2.344 5.890 8.600 1.00 0.00 H +ATOM 305 N THR A 24 7.294 7.349 4.748 1.00 0.00 N +ATOM 306 CA THR A 24 8.565 8.014 4.512 1.00 0.00 C +ATOM 307 C THR A 24 9.092 7.675 3.116 1.00 0.00 C +ATOM 308 O THR A 24 9.034 8.504 2.209 1.00 0.00 O +ATOM 309 CB THR A 24 9.523 7.615 5.636 1.00 0.00 C +ATOM 310 OG1 THR A 24 9.678 6.208 5.478 1.00 0.00 O +ATOM 311 CG2 THR A 24 8.893 7.767 7.023 1.00 0.00 C +ATOM 312 H THR A 24 7.316 6.353 4.663 1.00 0.00 H +ATOM 313 HA THR A 24 8.400 9.091 4.539 1.00 0.00 H +ATOM 314 HB THR A 24 10.456 8.174 5.569 1.00 0.00 H +ATOM 315 HG1 THR A 24 8.830 5.740 5.729 1.00 0.00 H +ATOM 316 HG21 THR A 24 8.667 8.818 7.206 1.00 0.00 H +ATOM 317 HG22 THR A 24 7.974 7.184 7.070 1.00 0.00 H +ATOM 318 HG23 THR A 24 9.591 7.408 7.780 1.00 0.00 H +ATOM 319 N ALA A 25 9.596 6.456 2.988 1.00 0.00 N +ATOM 320 CA ALA A 25 10.133 5.998 1.718 1.00 0.00 C +ATOM 321 C ALA A 25 9.235 6.490 0.582 1.00 0.00 C +ATOM 322 O ALA A 25 9.726 6.913 -0.464 1.00 0.00 O +ATOM 323 CB ALA A 25 10.264 4.474 1.739 1.00 0.00 C +ATOM 324 H ALA A 25 9.639 5.788 3.731 1.00 0.00 H +ATOM 325 HA ALA A 25 11.125 6.434 1.601 1.00 0.00 H +ATOM 326 HB1 ALA A 25 10.906 4.153 0.918 1.00 0.00 H +ATOM 327 HB2 ALA A 25 10.702 4.160 2.687 1.00 0.00 H +ATOM 328 HB3 ALA A 25 9.278 4.023 1.627 1.00 0.00 H +ATOM 329 N GLY A 26 7.934 6.419 0.825 1.00 0.00 N +ATOM 330 CA GLY A 26 6.963 6.852 -0.165 1.00 0.00 C +ATOM 331 C GLY A 26 6.823 5.818 -1.285 1.00 0.00 C +ATOM 332 O GLY A 26 7.814 5.237 -1.725 1.00 0.00 O +ATOM 333 H GLY A 26 7.543 6.073 1.678 1.00 0.00 H +ATOM 334 HA2 GLY A 26 5.996 7.008 0.313 1.00 0.00 H +ATOM 335 HA3 GLY A 26 7.269 7.810 -0.586 1.00 0.00 H +ATOM 336 N CYS A 27 5.585 5.621 -1.714 1.00 0.00 N +ATOM 337 CA CYS A 27 5.303 4.668 -2.773 1.00 0.00 C +ATOM 338 C CYS A 27 6.384 4.810 -3.847 1.00 0.00 C +ATOM 339 O CYS A 27 6.725 3.839 -4.521 1.00 0.00 O +ATOM 340 CB CYS A 27 3.898 4.861 -3.349 1.00 0.00 C +ATOM 341 SG CYS A 27 2.552 4.127 -2.350 1.00 0.00 S +ATOM 342 H CYS A 27 4.785 6.099 -1.350 1.00 0.00 H +ATOM 343 HA CYS A 27 5.335 3.678 -2.320 1.00 0.00 H +ATOM 344 HB2 CYS A 27 3.709 5.929 -3.458 1.00 0.00 H +ATOM 345 HB3 CYS A 27 3.868 4.428 -4.349 1.00 0.00 H +ATOM 346 N GLU A 28 6.892 6.027 -3.973 1.00 0.00 N +ATOM 347 CA GLU A 28 7.927 6.308 -4.953 1.00 0.00 C +ATOM 348 C GLU A 28 8.941 5.162 -4.998 1.00 0.00 C +ATOM 349 O GLU A 28 9.490 4.855 -6.055 1.00 0.00 O +ATOM 350 CB GLU A 28 8.618 7.640 -4.655 1.00 0.00 C +ATOM 351 CG GLU A 28 8.635 8.538 -5.893 1.00 0.00 C +ATOM 352 CD GLU A 28 10.007 8.513 -6.570 1.00 0.00 C +ATOM 353 OE1 GLU A 28 10.974 8.945 -5.908 1.00 0.00 O +ATOM 354 OE2 GLU A 28 10.056 8.062 -7.735 1.00 0.00 O +ATOM 355 H GLU A 28 6.609 6.811 -3.421 1.00 0.00 H +ATOM 356 HA GLU A 28 7.409 6.380 -5.909 1.00 0.00 H +ATOM 357 HB2 GLU A 28 8.101 8.147 -3.840 1.00 0.00 H +ATOM 358 HB3 GLU A 28 9.639 7.457 -4.320 1.00 0.00 H +ATOM 359 HG2 GLU A 28 7.872 8.207 -6.598 1.00 0.00 H +ATOM 360 HG3 GLU A 28 8.384 9.560 -5.609 1.00 0.00 H +ATOM 361 N HIS A 29 9.159 4.562 -3.837 1.00 0.00 N +ATOM 362 CA HIS A 29 10.097 3.457 -3.730 1.00 0.00 C +ATOM 363 C HIS A 29 9.807 2.430 -4.826 1.00 0.00 C +ATOM 364 O HIS A 29 8.860 2.588 -5.596 1.00 0.00 O +ATOM 365 CB HIS A 29 10.064 2.851 -2.326 1.00 0.00 C +ATOM 366 CG HIS A 29 11.257 1.983 -2.004 1.00 0.00 C +ATOM 367 ND1 HIS A 29 11.357 0.664 -2.413 1.00 0.00 N +ATOM 368 CD2 HIS A 29 12.399 2.259 -1.311 1.00 0.00 C +ATOM 369 CE1 HIS A 29 12.511 0.178 -1.978 1.00 0.00 C +ATOM 370 NE2 HIS A 29 13.154 1.168 -1.295 1.00 0.00 N +ATOM 371 H HIS A 29 8.708 4.817 -2.982 1.00 0.00 H +ATOM 372 HA HIS A 29 11.091 3.875 -3.889 1.00 0.00 H +ATOM 373 HB2 HIS A 29 10.006 3.657 -1.594 1.00 0.00 H +ATOM 374 HB3 HIS A 29 9.156 2.257 -2.219 1.00 0.00 H +ATOM 375 HD2 HIS A 29 12.648 3.214 -0.848 1.00 0.00 H +ATOM 376 HE1 HIS A 29 12.880 -0.835 -2.139 1.00 0.00 H +ATOM 377 HE2 HIS A 29 14.073 1.102 -0.904 1.00 0.00 H +ATOM 378 N GLU A 30 10.640 1.400 -4.863 1.00 0.00 N +ATOM 379 CA GLU A 30 10.485 0.347 -5.852 1.00 0.00 C +ATOM 380 C GLU A 30 9.857 -0.893 -5.213 1.00 0.00 C +ATOM 381 O GLU A 30 9.350 -1.768 -5.914 1.00 0.00 O +ATOM 382 CB GLU A 30 11.826 0.008 -6.506 1.00 0.00 C +ATOM 383 CG GLU A 30 11.869 0.499 -7.955 1.00 0.00 C +ATOM 384 CD GLU A 30 13.098 -0.050 -8.683 1.00 0.00 C +ATOM 385 OE1 GLU A 30 13.104 -1.272 -8.943 1.00 0.00 O +ATOM 386 OE2 GLU A 30 14.002 0.766 -8.964 1.00 0.00 O +ATOM 387 H GLU A 30 11.407 1.279 -4.234 1.00 0.00 H +ATOM 388 HA GLU A 30 9.812 0.755 -6.607 1.00 0.00 H +ATOM 389 HB2 GLU A 30 12.637 0.464 -5.939 1.00 0.00 H +ATOM 390 HB3 GLU A 30 11.985 -1.070 -6.479 1.00 0.00 H +ATOM 391 HG2 GLU A 30 10.964 0.187 -8.475 1.00 0.00 H +ATOM 392 HG3 GLU A 30 11.888 1.589 -7.972 1.00 0.00 H +ATOM 393 N LEU A 31 9.911 -0.930 -3.890 1.00 0.00 N +ATOM 394 CA LEU A 31 9.354 -2.048 -3.149 1.00 0.00 C +ATOM 395 C LEU A 31 7.864 -1.801 -2.903 1.00 0.00 C +ATOM 396 O LEU A 31 7.055 -2.722 -2.997 1.00 0.00 O +ATOM 397 CB LEU A 31 10.155 -2.295 -1.869 1.00 0.00 C +ATOM 398 CG LEU A 31 10.925 -3.616 -1.804 1.00 0.00 C +ATOM 399 CD1 LEU A 31 11.744 -3.710 -0.515 1.00 0.00 C +ATOM 400 CD2 LEU A 31 9.983 -4.809 -1.973 1.00 0.00 C +ATOM 401 H LEU A 31 10.325 -0.214 -3.327 1.00 0.00 H +ATOM 402 HA LEU A 31 9.459 -2.937 -3.771 1.00 0.00 H +ATOM 403 HB2 LEU A 31 10.865 -1.477 -1.744 1.00 0.00 H +ATOM 404 HB3 LEU A 31 9.471 -2.255 -1.022 1.00 0.00 H +ATOM 405 HG LEU A 31 11.630 -3.642 -2.635 1.00 0.00 H +ATOM 406 HD11 LEU A 31 12.597 -4.370 -0.674 1.00 0.00 H +ATOM 407 HD12 LEU A 31 12.099 -2.718 -0.236 1.00 0.00 H +ATOM 408 HD13 LEU A 31 11.120 -4.110 0.284 1.00 0.00 H +ATOM 409 HD21 LEU A 31 10.516 -5.628 -2.457 1.00 0.00 H +ATOM 410 HD22 LEU A 31 9.629 -5.134 -0.994 1.00 0.00 H +ATOM 411 HD23 LEU A 31 9.132 -4.516 -2.588 1.00 0.00 H +ATOM 412 N LEU A 32 7.548 -0.552 -2.594 1.00 0.00 N +ATOM 413 CA LEU A 32 6.170 -0.172 -2.335 1.00 0.00 C +ATOM 414 C LEU A 32 5.649 0.669 -3.502 1.00 0.00 C +ATOM 415 O LEU A 32 4.903 1.626 -3.298 1.00 0.00 O +ATOM 416 CB LEU A 32 6.052 0.522 -0.976 1.00 0.00 C +ATOM 417 CG LEU A 32 6.929 1.760 -0.777 1.00 0.00 C +ATOM 418 CD1 LEU A 32 6.178 2.846 -0.004 1.00 0.00 C +ATOM 419 CD2 LEU A 32 8.254 1.391 -0.106 1.00 0.00 C +ATOM 420 H LEU A 32 8.212 0.192 -2.520 1.00 0.00 H +ATOM 421 HA LEU A 32 5.582 -1.088 -2.280 1.00 0.00 H +ATOM 422 HB2 LEU A 32 5.011 0.811 -0.827 1.00 0.00 H +ATOM 423 HB3 LEU A 32 6.297 -0.201 -0.199 1.00 0.00 H +ATOM 424 HG LEU A 32 7.169 2.171 -1.758 1.00 0.00 H +ATOM 425 HD11 LEU A 32 6.065 2.538 1.036 1.00 0.00 H +ATOM 426 HD12 LEU A 32 6.741 3.778 -0.048 1.00 0.00 H +ATOM 427 HD13 LEU A 32 5.194 2.994 -0.448 1.00 0.00 H +ATOM 428 HD21 LEU A 32 8.877 0.840 -0.811 1.00 0.00 H +ATOM 429 HD22 LEU A 32 8.771 2.299 0.202 1.00 0.00 H +ATOM 430 HD23 LEU A 32 8.058 0.769 0.768 1.00 0.00 H +ATOM 431 N LYS A 33 6.063 0.282 -4.700 1.00 0.00 N +ATOM 432 CA LYS A 33 5.647 0.989 -5.899 1.00 0.00 C +ATOM 433 C LYS A 33 4.326 0.401 -6.400 1.00 0.00 C +ATOM 434 O LYS A 33 3.374 1.137 -6.658 1.00 0.00 O +ATOM 435 CB LYS A 33 6.763 0.970 -6.945 1.00 0.00 C +ATOM 436 CG LYS A 33 6.601 -0.214 -7.900 1.00 0.00 C +ATOM 437 CD LYS A 33 7.647 -0.166 -9.016 1.00 0.00 C +ATOM 438 CE LYS A 33 8.304 -1.534 -9.211 1.00 0.00 C +ATOM 439 NZ LYS A 33 8.436 -1.845 -10.652 1.00 0.00 N +ATOM 440 H LYS A 33 6.669 -0.497 -4.857 1.00 0.00 H +ATOM 441 HA LYS A 33 5.480 2.030 -5.624 1.00 0.00 H +ATOM 442 HB2 LYS A 33 6.753 1.902 -7.511 1.00 0.00 H +ATOM 443 HB3 LYS A 33 7.732 0.912 -6.448 1.00 0.00 H +ATOM 444 HG2 LYS A 33 6.698 -1.148 -7.346 1.00 0.00 H +ATOM 445 HG3 LYS A 33 5.601 -0.202 -8.333 1.00 0.00 H +ATOM 446 HD2 LYS A 33 7.176 0.151 -9.947 1.00 0.00 H +ATOM 447 HD3 LYS A 33 8.408 0.576 -8.775 1.00 0.00 H +ATOM 448 HE2 LYS A 33 9.287 -1.542 -8.739 1.00 0.00 H +ATOM 449 HE3 LYS A 33 7.708 -2.303 -8.720 1.00 0.00 H +ATOM 450 HZ1 LYS A 33 8.241 -1.025 -11.189 1.00 0.00 H +ATOM 451 HZ2 LYS A 33 9.368 -2.154 -10.842 1.00 0.00 H +ATOM 452 HZ3 LYS A 33 7.789 -2.567 -10.898 1.00 0.00 H +ATOM 453 N GLU A 34 4.310 -0.918 -6.522 1.00 0.00 N +ATOM 454 CA GLU A 34 3.121 -1.612 -6.987 1.00 0.00 C +ATOM 455 C GLU A 34 2.633 -2.599 -5.924 1.00 0.00 C +ATOM 456 O GLU A 34 1.430 -2.749 -5.717 1.00 0.00 O +ATOM 457 CB GLU A 34 3.386 -2.323 -8.315 1.00 0.00 C +ATOM 458 CG GLU A 34 2.886 -1.486 -9.494 1.00 0.00 C +ATOM 459 CD GLU A 34 2.969 -2.276 -10.802 1.00 0.00 C +ATOM 460 OE1 GLU A 34 4.108 -2.622 -11.185 1.00 0.00 O +ATOM 461 OE2 GLU A 34 1.892 -2.516 -11.389 1.00 0.00 O +ATOM 462 H GLU A 34 5.088 -1.508 -6.310 1.00 0.00 H +ATOM 463 HA GLU A 34 2.373 -0.834 -7.141 1.00 0.00 H +ATOM 464 HB2 GLU A 34 4.454 -2.511 -8.425 1.00 0.00 H +ATOM 465 HB3 GLU A 34 2.889 -3.294 -8.318 1.00 0.00 H +ATOM 466 HG2 GLU A 34 1.856 -1.178 -9.316 1.00 0.00 H +ATOM 467 HG3 GLU A 34 3.481 -0.576 -9.577 1.00 0.00 H +ATOM 468 N LYS A 35 3.592 -3.247 -5.279 1.00 0.00 N +ATOM 469 CA LYS A 35 3.275 -4.215 -4.243 1.00 0.00 C +ATOM 470 C LYS A 35 2.533 -3.512 -3.104 1.00 0.00 C +ATOM 471 O LYS A 35 1.893 -4.164 -2.280 1.00 0.00 O +ATOM 472 CB LYS A 35 4.538 -4.950 -3.792 1.00 0.00 C +ATOM 473 CG LYS A 35 4.906 -6.063 -4.777 1.00 0.00 C +ATOM 474 CD LYS A 35 6.387 -6.429 -4.662 1.00 0.00 C +ATOM 475 CE LYS A 35 7.151 -6.024 -5.924 1.00 0.00 C +ATOM 476 NZ LYS A 35 8.252 -6.977 -6.191 1.00 0.00 N +ATOM 477 H LYS A 35 4.568 -3.119 -5.454 1.00 0.00 H +ATOM 478 HA LYS A 35 2.609 -4.958 -4.683 1.00 0.00 H +ATOM 479 HB2 LYS A 35 5.365 -4.245 -3.710 1.00 0.00 H +ATOM 480 HB3 LYS A 35 4.382 -5.374 -2.800 1.00 0.00 H +ATOM 481 HG2 LYS A 35 4.294 -6.943 -4.581 1.00 0.00 H +ATOM 482 HG3 LYS A 35 4.685 -5.740 -5.794 1.00 0.00 H +ATOM 483 HD2 LYS A 35 6.822 -5.932 -3.794 1.00 0.00 H +ATOM 484 HD3 LYS A 35 6.489 -7.502 -4.499 1.00 0.00 H +ATOM 485 HE2 LYS A 35 6.471 -5.998 -6.775 1.00 0.00 H +ATOM 486 HE3 LYS A 35 7.554 -5.018 -5.806 1.00 0.00 H +ATOM 487 HZ1 LYS A 35 8.168 -7.764 -5.580 1.00 0.00 H +ATOM 488 HZ2 LYS A 35 8.203 -7.286 -7.141 1.00 0.00 H +ATOM 489 HZ3 LYS A 35 9.130 -6.524 -6.033 1.00 0.00 H +ATOM 490 N CYS A 36 2.643 -2.192 -3.095 1.00 0.00 N +ATOM 491 CA CYS A 36 1.990 -1.394 -2.071 1.00 0.00 C +ATOM 492 C CYS A 36 0.911 -0.542 -2.741 1.00 0.00 C +ATOM 493 O CYS A 36 0.715 0.617 -2.378 1.00 0.00 O +ATOM 494 CB CYS A 36 2.994 -0.538 -1.295 1.00 0.00 C +ATOM 495 SG CYS A 36 3.989 -1.452 -0.061 1.00 0.00 S +ATOM 496 H CYS A 36 3.165 -1.670 -3.769 1.00 0.00 H +ATOM 497 HA CYS A 36 1.546 -2.095 -1.364 1.00 0.00 H +ATOM 498 HB2 CYS A 36 3.669 -0.062 -2.006 1.00 0.00 H +ATOM 499 HB3 CYS A 36 2.453 0.259 -0.786 1.00 0.00 H +ATOM 500 N LYS A 37 0.238 -1.148 -3.708 1.00 0.00 N +ATOM 501 CA LYS A 37 -0.816 -0.459 -4.433 1.00 0.00 C +ATOM 502 C LYS A 37 -1.814 0.130 -3.434 1.00 0.00 C +ATOM 503 O LYS A 37 -2.167 1.305 -3.524 1.00 0.00 O +ATOM 504 CB LYS A 37 -1.455 -1.392 -5.463 1.00 0.00 C +ATOM 505 CG LYS A 37 -0.804 -1.219 -6.837 1.00 0.00 C +ATOM 506 CD LYS A 37 -1.165 -2.381 -7.765 1.00 0.00 C +ATOM 507 CE LYS A 37 -1.604 -1.870 -9.139 1.00 0.00 C +ATOM 508 NZ LYS A 37 -0.467 -1.888 -10.086 1.00 0.00 N +ATOM 509 H LYS A 37 0.404 -2.091 -3.998 1.00 0.00 H +ATOM 510 HA LYS A 37 -0.353 0.360 -4.983 1.00 0.00 H +ATOM 511 HB2 LYS A 37 -1.354 -2.427 -5.136 1.00 0.00 H +ATOM 512 HB3 LYS A 37 -2.523 -1.184 -5.534 1.00 0.00 H +ATOM 513 HG2 LYS A 37 -1.130 -0.279 -7.282 1.00 0.00 H +ATOM 514 HG3 LYS A 37 0.279 -1.161 -6.726 1.00 0.00 H +ATOM 515 HD2 LYS A 37 -0.306 -3.043 -7.877 1.00 0.00 H +ATOM 516 HD3 LYS A 37 -1.966 -2.971 -7.320 1.00 0.00 H +ATOM 517 HE2 LYS A 37 -2.415 -2.489 -9.522 1.00 0.00 H +ATOM 518 HE3 LYS A 37 -1.993 -0.856 -9.048 1.00 0.00 H +ATOM 519 HZ1 LYS A 37 0.300 -2.382 -9.676 1.00 0.00 H +ATOM 520 HZ2 LYS A 37 -0.745 -2.346 -10.931 1.00 0.00 H +ATOM 521 HZ3 LYS A 37 -0.189 -0.950 -10.291 1.00 0.00 H +ATOM 522 N ALA A 38 -2.240 -0.713 -2.505 1.00 0.00 N +ATOM 523 CA ALA A 38 -3.190 -0.290 -1.490 1.00 0.00 C +ATOM 524 C ALA A 38 -2.717 1.026 -0.870 1.00 0.00 C +ATOM 525 O ALA A 38 -3.301 2.079 -1.119 1.00 0.00 O +ATOM 526 CB ALA A 38 -3.353 -1.400 -0.449 1.00 0.00 C +ATOM 527 H ALA A 38 -1.948 -1.667 -2.438 1.00 0.00 H +ATOM 528 HA ALA A 38 -4.150 -0.127 -1.981 1.00 0.00 H +ATOM 529 HB1 ALA A 38 -3.976 -1.041 0.370 1.00 0.00 H +ATOM 530 HB2 ALA A 38 -3.825 -2.266 -0.912 1.00 0.00 H +ATOM 531 HB3 ALA A 38 -2.374 -1.682 -0.063 1.00 0.00 H +ATOM 532 N THR A 39 -1.662 0.923 -0.075 1.00 0.00 N +ATOM 533 CA THR A 39 -1.103 2.092 0.582 1.00 0.00 C +ATOM 534 C THR A 39 -1.056 3.276 -0.386 1.00 0.00 C +ATOM 535 O THR A 39 -1.289 4.417 0.011 1.00 0.00 O +ATOM 536 CB THR A 39 0.269 1.710 1.141 1.00 0.00 C +ATOM 537 OG1 THR A 39 0.005 1.362 2.498 1.00 0.00 O +ATOM 538 CG2 THR A 39 1.215 2.907 1.241 1.00 0.00 C +ATOM 539 H THR A 39 -1.192 0.062 0.122 1.00 0.00 H +ATOM 540 HA THR A 39 -1.764 2.375 1.401 1.00 0.00 H +ATOM 541 HB THR A 39 0.717 0.906 0.557 1.00 0.00 H +ATOM 542 HG1 THR A 39 0.860 1.331 3.015 1.00 0.00 H +ATOM 543 HG21 THR A 39 0.699 3.740 1.719 1.00 0.00 H +ATOM 544 HG22 THR A 39 2.088 2.633 1.833 1.00 0.00 H +ATOM 545 HG23 THR A 39 1.533 3.203 0.241 1.00 0.00 H +ATOM 546 N CYS A 40 -0.752 2.964 -1.638 1.00 0.00 N +ATOM 547 CA CYS A 40 -0.671 3.988 -2.665 1.00 0.00 C +ATOM 548 C CYS A 40 -2.081 4.520 -2.926 1.00 0.00 C +ATOM 549 O CYS A 40 -2.415 5.632 -2.518 1.00 0.00 O +ATOM 550 CB CYS A 40 -0.016 3.458 -3.942 1.00 0.00 C +ATOM 551 SG CYS A 40 1.701 2.859 -3.733 1.00 0.00 S +ATOM 552 H CYS A 40 -0.563 2.034 -1.952 1.00 0.00 H +ATOM 553 HA CYS A 40 -0.027 4.775 -2.273 1.00 0.00 H +ATOM 554 HB2 CYS A 40 -0.625 2.643 -4.335 1.00 0.00 H +ATOM 555 HB3 CYS A 40 -0.020 4.249 -4.692 1.00 0.00 H +ATOM 556 N LEU A 41 -2.872 3.701 -3.603 1.00 0.00 N +ATOM 557 CA LEU A 41 -4.239 4.075 -3.923 1.00 0.00 C +ATOM 558 C LEU A 41 -5.094 3.997 -2.657 1.00 0.00 C +ATOM 559 O LEU A 41 -5.439 5.023 -2.072 1.00 0.00 O +ATOM 560 CB LEU A 41 -4.771 3.224 -5.078 1.00 0.00 C +ATOM 561 CG LEU A 41 -3.784 2.938 -6.211 1.00 0.00 C +ATOM 562 CD1 LEU A 41 -3.768 1.449 -6.562 1.00 0.00 C +ATOM 563 CD2 LEU A 41 -4.082 3.811 -7.432 1.00 0.00 C +ATOM 564 H LEU A 41 -2.593 2.799 -3.931 1.00 0.00 H +ATOM 565 HA LEU A 41 -4.223 5.110 -4.266 1.00 0.00 H +ATOM 566 HB2 LEU A 41 -5.115 2.272 -4.673 1.00 0.00 H +ATOM 567 HB3 LEU A 41 -5.643 3.724 -5.500 1.00 0.00 H +ATOM 568 HG LEU A 41 -2.783 3.198 -5.866 1.00 0.00 H +ATOM 569 HD11 LEU A 41 -3.748 1.331 -7.645 1.00 0.00 H +ATOM 570 HD12 LEU A 41 -2.882 0.983 -6.129 1.00 0.00 H +ATOM 571 HD13 LEU A 41 -4.662 0.972 -6.160 1.00 0.00 H +ATOM 572 HD21 LEU A 41 -4.672 4.675 -7.125 1.00 0.00 H +ATOM 573 HD22 LEU A 41 -3.145 4.149 -7.874 1.00 0.00 H +ATOM 574 HD23 LEU A 41 -4.642 3.231 -8.165 1.00 0.00 H +ATOM 575 N CYS A 42 -5.412 2.770 -2.270 1.00 0.00 N +ATOM 576 CA CYS A 42 -6.220 2.545 -1.084 1.00 0.00 C +ATOM 577 C CYS A 42 -5.710 3.466 0.026 1.00 0.00 C +ATOM 578 O CYS A 42 -4.527 3.798 0.069 1.00 0.00 O +ATOM 579 CB CYS A 42 -6.203 1.075 -0.659 1.00 0.00 C +ATOM 580 SG CYS A 42 -7.212 0.693 0.819 1.00 0.00 S +ATOM 581 H CYS A 42 -5.127 1.941 -2.751 1.00 0.00 H +ATOM 582 HA CYS A 42 -7.246 2.794 -1.353 1.00 0.00 H +ATOM 583 HB2 CYS A 42 -6.557 0.467 -1.491 1.00 0.00 H +ATOM 584 HB3 CYS A 42 -5.172 0.780 -0.464 1.00 0.00 H +ATOM 585 N GLU A 43 -6.630 3.854 0.898 1.00 0.00 N +ATOM 586 CA GLU A 43 -6.289 4.731 2.005 1.00 0.00 C +ATOM 587 C GLU A 43 -7.311 4.583 3.134 1.00 0.00 C +ATOM 588 O GLU A 43 -6.952 4.245 4.261 1.00 0.00 O +ATOM 589 CB GLU A 43 -6.190 6.186 1.543 1.00 0.00 C +ATOM 590 CG GLU A 43 -5.311 7.004 2.490 1.00 0.00 C +ATOM 591 CD GLU A 43 -4.050 7.499 1.779 1.00 0.00 C +ATOM 592 OE1 GLU A 43 -3.445 6.676 1.058 1.00 0.00 O +ATOM 593 OE2 GLU A 43 -3.719 8.689 1.972 1.00 0.00 O +ATOM 594 H GLU A 43 -7.591 3.580 0.856 1.00 0.00 H +ATOM 595 HA GLU A 43 -5.309 4.398 2.347 1.00 0.00 H +ATOM 596 HB2 GLU A 43 -5.777 6.224 0.534 1.00 0.00 H +ATOM 597 HB3 GLU A 43 -7.187 6.625 1.495 1.00 0.00 H +ATOM 598 HG2 GLU A 43 -5.875 7.855 2.872 1.00 0.00 H +ATOM 599 HG3 GLU A 43 -5.032 6.395 3.351 1.00 0.00 H +ATOM 600 N SER A 44 -8.564 4.842 2.792 1.00 0.00 N +ATOM 601 CA SER A 44 -9.641 4.742 3.763 1.00 0.00 C +ATOM 602 C SER A 44 -10.994 4.872 3.059 1.00 0.00 C +ATOM 603 O SER A 44 -11.829 3.973 3.143 1.00 0.00 O +ATOM 604 CB SER A 44 -9.504 5.810 4.850 1.00 0.00 C +ATOM 605 OG SER A 44 -10.599 5.788 5.761 1.00 0.00 O +ATOM 606 H SER A 44 -8.848 5.116 1.873 1.00 0.00 H +ATOM 607 HA SER A 44 -9.536 3.754 4.209 1.00 0.00 H +ATOM 608 HB2 SER A 44 -8.574 5.653 5.397 1.00 0.00 H +ATOM 609 HB3 SER A 44 -9.438 6.794 4.385 1.00 0.00 H +ATOM 610 HG SER A 44 -10.762 4.853 6.077 1.00 0.00 H +ATOM 611 N GLY A 45 -11.167 5.997 2.382 1.00 0.00 N +ATOM 612 CA GLY A 45 -12.403 6.256 1.664 1.00 0.00 C +ATOM 613 C GLY A 45 -12.225 7.393 0.656 1.00 0.00 C +ATOM 614 O GLY A 45 -11.155 7.543 0.067 1.00 0.00 O +ATOM 615 H GLY A 45 -10.482 6.723 2.319 1.00 0.00 H +ATOM 616 HA2 GLY A 45 -12.723 5.352 1.146 1.00 0.00 H +ATOM 617 HA3 GLY A 45 -13.192 6.513 2.372 1.00 0.00 H +ATOM 618 N PRO A 46 -13.317 8.184 0.483 1.00 0.00 N +ATOM 619 CA PRO A 46 -13.291 9.303 -0.444 1.00 0.00 C +ATOM 620 C PRO A 46 -12.490 10.473 0.131 1.00 0.00 C +ATOM 621 O PRO A 46 -13.065 11.413 0.678 1.00 0.00 O +ATOM 622 CB PRO A 46 -14.751 9.645 -0.689 1.00 0.00 C +ATOM 623 CG PRO A 46 -15.524 9.018 0.460 1.00 0.00 C +ATOM 624 CD PRO A 46 -14.600 8.037 1.162 1.00 0.00 C +ATOM 625 HA PRO A 46 -12.825 9.042 -1.290 1.00 0.00 H +ATOM 626 HB2 PRO A 46 -14.900 10.725 -0.716 1.00 0.00 H +ATOM 627 HB3 PRO A 46 -15.090 9.253 -1.648 1.00 0.00 H +ATOM 628 HG2 PRO A 46 -15.866 9.785 1.155 1.00 0.00 H +ATOM 629 HG3 PRO A 46 -16.412 8.507 0.088 1.00 0.00 H +ATOM 630 HD2 PRO A 46 -14.514 8.265 2.225 1.00 0.00 H +ATOM 631 HD3 PRO A 46 -14.974 7.016 1.085 1.00 0.00 H +ATOM 632 N SER A 47 -11.177 10.377 -0.013 1.00 0.00 N +ATOM 633 CA SER A 47 -10.292 11.416 0.485 1.00 0.00 C +ATOM 634 C SER A 47 -10.403 12.665 -0.393 1.00 0.00 C +ATOM 635 O SER A 47 -10.701 13.751 0.102 1.00 0.00 O +ATOM 636 CB SER A 47 -8.842 10.929 0.532 1.00 0.00 C +ATOM 637 OG SER A 47 -8.201 11.279 1.756 1.00 0.00 O +ATOM 638 H SER A 47 -10.718 9.610 -0.460 1.00 0.00 H +ATOM 639 HA SER A 47 -10.636 11.628 1.497 1.00 0.00 H +ATOM 640 HB2 SER A 47 -8.819 9.846 0.407 1.00 0.00 H +ATOM 641 HB3 SER A 47 -8.288 11.358 -0.303 1.00 0.00 H +ATOM 642 HG SER A 47 -8.834 11.158 2.520 1.00 0.00 H +ATOM 643 N SER A 48 -10.160 12.468 -1.680 1.00 0.00 N +ATOM 644 CA SER A 48 -10.229 13.564 -2.632 1.00 0.00 C +ATOM 645 C SER A 48 -11.645 13.673 -3.201 1.00 0.00 C +ATOM 646 O SER A 48 -12.294 14.709 -3.067 1.00 0.00 O +ATOM 647 CB SER A 48 -9.215 13.377 -3.762 1.00 0.00 C +ATOM 648 OG SER A 48 -8.880 14.613 -4.388 1.00 0.00 O +ATOM 649 H SER A 48 -9.919 11.581 -2.074 1.00 0.00 H +ATOM 650 HA SER A 48 -9.976 14.457 -2.061 1.00 0.00 H +ATOM 651 HB2 SER A 48 -8.311 12.915 -3.365 1.00 0.00 H +ATOM 652 HB3 SER A 48 -9.623 12.693 -4.506 1.00 0.00 H +ATOM 653 HG SER A 48 -9.707 15.055 -4.736 1.00 0.00 H +ATOM 654 N GLY A 49 -12.082 12.589 -3.826 1.00 0.00 N +ATOM 655 CA GLY A 49 -13.409 12.550 -4.416 1.00 0.00 C +ATOM 656 C GLY A 49 -14.458 13.094 -3.444 1.00 0.00 C +ATOM 657 O GLY A 49 -15.625 13.242 -3.804 1.00 0.00 O +ATOM 658 H GLY A 49 -11.548 11.750 -3.931 1.00 0.00 H +ATOM 659 HA2 GLY A 49 -13.420 13.138 -5.335 1.00 0.00 H +ATOM 660 HA3 GLY A 49 -13.659 11.526 -4.691 1.00 0.00 H Added: SwiftApps/modFTdock/input/indata/2cwb-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2cwb-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2cwb-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,680 @@ +ATOM 1 N GLY A 63 -1.058 9.975 -5.840 1.00 5.47 N +ATOM 2 CA GLY A 63 -1.761 9.244 -4.760 1.00 4.70 C +ATOM 3 C GLY A 63 -2.102 10.147 -3.596 1.00 3.99 C +ATOM 4 O GLY A 63 -1.218 10.590 -2.863 1.00 4.42 O +ATOM 5 H GLY A 63 -0.160 10.372 -5.481 1.00 5.75 H +ATOM 6 HA2 GLY A 63 -2.674 8.824 -5.157 1.00 4.83 H +ATOM 7 HA3 GLY A 63 -1.128 8.442 -4.408 1.00 4.79 H +ATOM 8 N SER A 64 -3.384 10.426 -3.426 1.00 3.07 N +ATOM 9 CA SER A 64 -3.839 11.296 -2.357 1.00 2.52 C +ATOM 10 C SER A 64 -4.460 10.472 -1.239 1.00 1.59 C +ATOM 11 O SER A 64 -5.450 9.767 -1.455 1.00 2.18 O +ATOM 12 CB SER A 64 -4.836 12.324 -2.903 1.00 3.08 C +ATOM 13 OG SER A 64 -5.816 11.709 -3.726 1.00 3.62 O +ATOM 14 H SER A 64 -4.049 10.023 -4.032 1.00 2.97 H +ATOM 15 HA SER A 64 -2.977 11.817 -1.966 1.00 2.84 H +ATOM 16 HB2 SER A 64 -5.335 12.812 -2.077 1.00 3.22 H +ATOM 17 HB3 SER A 64 -4.305 13.060 -3.485 1.00 3.62 H +ATOM 18 HG SER A 64 -6.485 12.369 -3.974 1.00 4.19 H +ATOM 19 N GLN A 65 -3.837 10.530 -0.057 1.00 0.84 N +ATOM 20 CA GLN A 65 -4.258 9.752 1.119 1.00 1.24 C +ATOM 21 C GLN A 65 -3.941 8.268 0.941 1.00 1.23 C +ATOM 22 O GLN A 65 -4.039 7.485 1.883 1.00 2.20 O +ATOM 23 CB GLN A 65 -5.749 9.952 1.413 1.00 2.00 C +ATOM 24 CG GLN A 65 -6.126 11.403 1.641 1.00 2.37 C +ATOM 25 CD GLN A 65 -7.568 11.572 2.071 1.00 3.23 C +ATOM 26 OE1 GLN A 65 -7.876 11.528 3.263 1.00 3.81 O +ATOM 27 NE2 GLN A 65 -8.457 11.781 1.115 1.00 3.73 N +ATOM 28 H GLN A 65 -3.058 11.124 0.033 1.00 1.18 H +ATOM 29 HA GLN A 65 -3.690 10.117 1.962 1.00 1.94 H +ATOM 30 HB2 GLN A 65 -6.322 9.582 0.577 1.00 2.15 H +ATOM 31 HB3 GLN A 65 -6.011 9.389 2.297 1.00 2.72 H +ATOM 32 HG2 GLN A 65 -5.485 11.811 2.409 1.00 2.82 H +ATOM 33 HG3 GLN A 65 -5.973 11.946 0.720 1.00 2.10 H +ATOM 34 HE21 GLN A 65 -8.143 11.819 0.185 1.00 3.58 H +ATOM 35 HE22 GLN A 65 -9.399 11.890 1.372 1.00 4.43 H +ATOM 36 N TRP A 66 -3.565 7.908 -0.287 1.00 0.32 N +ATOM 37 CA TRP A 66 -3.152 6.552 -0.646 1.00 0.17 C +ATOM 38 C TRP A 66 -4.259 5.525 -0.421 1.00 0.15 C +ATOM 39 O TRP A 66 -4.016 4.330 -0.493 1.00 0.16 O +ATOM 40 CB TRP A 66 -1.896 6.147 0.129 1.00 0.37 C +ATOM 41 CG TRP A 66 -0.719 7.044 -0.134 1.00 0.29 C +ATOM 42 CD1 TRP A 66 0.065 7.051 -1.247 1.00 0.60 C +ATOM 43 CD2 TRP A 66 -0.193 8.058 0.734 1.00 0.73 C +ATOM 44 NE1 TRP A 66 1.048 8.005 -1.129 1.00 0.61 N +ATOM 45 CE2 TRP A 66 0.909 8.638 0.077 1.00 0.47 C +ATOM 46 CE3 TRP A 66 -0.548 8.535 1.998 1.00 1.45 C +ATOM 47 CZ2 TRP A 66 1.659 9.666 0.644 1.00 0.75 C +ATOM 48 CZ3 TRP A 66 0.197 9.555 2.560 1.00 1.79 C +ATOM 49 CH2 TRP A 66 1.290 10.110 1.882 1.00 1.41 C +ATOM 50 H TRP A 66 -3.563 8.593 -0.984 1.00 0.78 H +ATOM 51 HA TRP A 66 -2.909 6.562 -1.700 1.00 0.34 H +ATOM 52 HB2 TRP A 66 -2.112 6.176 1.188 1.00 0.59 H +ATOM 53 HB3 TRP A 66 -1.623 5.137 -0.151 1.00 0.60 H +ATOM 54 HD1 TRP A 66 -0.074 6.394 -2.091 1.00 1.05 H +ATOM 55 HE1 TRP A 66 1.734 8.204 -1.801 1.00 0.99 H +ATOM 56 HE3 TRP A 66 -1.387 8.118 2.537 1.00 1.77 H +ATOM 57 HZ2 TRP A 66 2.505 10.104 0.134 1.00 0.62 H +ATOM 58 HZ3 TRP A 66 -0.062 9.935 3.537 1.00 2.36 H +ATOM 59 HH2 TRP A 66 1.844 10.905 2.359 1.00 1.69 H +ATOM 60 N GLN A 67 -5.476 5.991 -0.186 1.00 0.25 N +ATOM 61 CA GLN A 67 -6.592 5.096 0.095 1.00 0.32 C +ATOM 62 C GLN A 67 -7.104 4.370 -1.154 1.00 0.31 C +ATOM 63 O GLN A 67 -7.484 3.204 -1.057 1.00 0.34 O +ATOM 64 CB GLN A 67 -7.714 5.838 0.807 1.00 0.42 C +ATOM 65 CG GLN A 67 -7.400 6.071 2.272 1.00 0.77 C +ATOM 66 CD GLN A 67 -8.394 6.987 2.956 1.00 1.15 C +ATOM 67 OE1 GLN A 67 -9.565 7.047 2.591 1.00 1.69 O +ATOM 68 NE2 GLN A 67 -7.926 7.710 3.961 1.00 1.75 N +ATOM 69 H GLN A 67 -5.627 6.956 -0.195 1.00 0.31 H +ATOM 70 HA GLN A 67 -6.216 4.343 0.773 1.00 0.34 H +ATOM 71 HB2 GLN A 67 -7.864 6.795 0.328 1.00 0.86 H +ATOM 72 HB3 GLN A 67 -8.622 5.258 0.739 1.00 0.76 H +ATOM 73 HG2 GLN A 67 -7.403 5.112 2.779 1.00 1.25 H +ATOM 74 HG3 GLN A 67 -6.416 6.509 2.347 1.00 1.16 H +ATOM 75 HE21 GLN A 67 -6.983 7.611 4.203 1.00 2.20 H +ATOM 76 HE22 GLN A 67 -8.546 8.323 4.423 1.00 2.05 H +ATOM 77 N PRO A 68 -7.137 5.013 -2.345 1.00 0.33 N +ATOM 78 CA PRO A 68 -7.392 4.285 -3.593 1.00 0.38 C +ATOM 79 C PRO A 68 -6.361 3.179 -3.786 1.00 0.31 C +ATOM 80 O PRO A 68 -6.653 2.110 -4.327 1.00 0.34 O +ATOM 81 CB PRO A 68 -7.243 5.352 -4.681 1.00 0.48 C +ATOM 82 CG PRO A 68 -7.475 6.648 -3.986 1.00 0.49 C +ATOM 83 CD PRO A 68 -6.990 6.464 -2.576 1.00 0.37 C +ATOM 84 HA PRO A 68 -8.389 3.865 -3.615 1.00 0.43 H +ATOM 85 HB2 PRO A 68 -6.249 5.302 -5.102 1.00 0.48 H +ATOM 86 HB3 PRO A 68 -7.976 5.184 -5.456 1.00 0.57 H +ATOM 87 HG2 PRO A 68 -6.913 7.431 -4.475 1.00 0.55 H +ATOM 88 HG3 PRO A 68 -8.529 6.883 -3.991 1.00 0.57 H +ATOM 89 HD2 PRO A 68 -5.956 6.765 -2.491 1.00 0.35 H +ATOM 90 HD3 PRO A 68 -7.605 7.025 -1.889 1.00 0.43 H +ATOM 91 N GLN A 69 -5.155 3.456 -3.302 1.00 0.26 N +ATOM 92 CA GLN A 69 -4.054 2.506 -3.330 1.00 0.24 C +ATOM 93 C GLN A 69 -4.271 1.427 -2.276 1.00 0.23 C +ATOM 94 O GLN A 69 -4.036 0.250 -2.529 1.00 0.32 O +ATOM 95 CB GLN A 69 -2.723 3.228 -3.084 1.00 0.22 C +ATOM 96 CG GLN A 69 -2.229 4.091 -4.244 1.00 0.30 C +ATOM 97 CD GLN A 69 -3.162 5.233 -4.605 1.00 0.69 C +ATOM 98 OE1 GLN A 69 -3.103 6.311 -4.014 1.00 1.47 O +ATOM 99 NE2 GLN A 69 -3.997 5.014 -5.606 1.00 1.45 N +ATOM 100 H GLN A 69 -5.004 4.339 -2.905 1.00 0.28 H +ATOM 101 HA GLN A 69 -4.029 2.033 -4.308 1.00 0.30 H +ATOM 102 HB2 GLN A 69 -2.832 3.865 -2.223 1.00 0.19 H +ATOM 103 HB3 GLN A 69 -1.965 2.491 -2.871 1.00 0.28 H +ATOM 104 HG2 GLN A 69 -1.270 4.506 -3.979 1.00 0.78 H +ATOM 105 HG3 GLN A 69 -2.112 3.459 -5.110 1.00 0.63 H +ATOM 106 HE21 GLN A 69 -3.965 4.137 -6.056 1.00 2.02 H +ATOM 107 HE22 GLN A 69 -4.610 5.736 -5.871 1.00 1.78 H +ATOM 108 N LEU A 70 -4.720 1.825 -1.091 1.00 0.20 N +ATOM 109 CA LEU A 70 -5.119 0.853 -0.076 1.00 0.25 C +ATOM 110 C LEU A 70 -6.126 -0.094 -0.685 1.00 0.25 C +ATOM 111 O LEU A 70 -5.995 -1.309 -0.589 1.00 0.28 O +ATOM 112 CB LEU A 70 -5.753 1.528 1.147 1.00 0.29 C +ATOM 113 CG LEU A 70 -4.923 2.621 1.786 1.00 0.30 C +ATOM 114 CD1 LEU A 70 -5.512 3.026 3.125 1.00 0.42 C +ATOM 115 CD2 LEU A 70 -3.466 2.199 1.934 1.00 0.35 C +ATOM 116 H LEU A 70 -4.760 2.787 -0.885 1.00 0.18 H +ATOM 117 HA LEU A 70 -4.245 0.297 0.227 1.00 0.30 H +ATOM 118 HB2 LEU A 70 -6.693 1.961 0.841 1.00 0.31 H +ATOM 119 HB3 LEU A 70 -5.954 0.780 1.894 1.00 0.37 H +ATOM 120 HG LEU A 70 -4.962 3.473 1.140 1.00 0.23 H +ATOM 121 HD11 LEU A 70 -5.530 2.171 3.785 1.00 0.99 H +ATOM 122 HD12 LEU A 70 -6.516 3.392 2.980 1.00 0.98 H +ATOM 123 HD13 LEU A 70 -4.904 3.804 3.563 1.00 1.12 H +ATOM 124 HD21 LEU A 70 -3.398 1.362 2.612 1.00 1.06 H +ATOM 125 HD22 LEU A 70 -2.889 3.026 2.322 1.00 1.08 H +ATOM 126 HD23 LEU A 70 -3.076 1.914 0.968 1.00 0.92 H +ATOM 127 N GLN A 71 -7.114 0.488 -1.353 1.00 0.26 N +ATOM 128 CA GLN A 71 -8.177 -0.268 -1.970 1.00 0.28 C +ATOM 129 C GLN A 71 -7.628 -1.198 -3.056 1.00 0.23 C +ATOM 130 O GLN A 71 -8.228 -2.222 -3.366 1.00 0.23 O +ATOM 131 CB GLN A 71 -9.211 0.691 -2.555 1.00 0.35 C +ATOM 132 CG GLN A 71 -10.480 0.014 -3.031 1.00 1.25 C +ATOM 133 CD GLN A 71 -11.202 -0.717 -1.917 1.00 1.82 C +ATOM 134 OE1 GLN A 71 -11.122 -0.332 -0.749 1.00 2.46 O +ATOM 135 NE2 GLN A 71 -11.919 -1.771 -2.267 1.00 2.48 N +ATOM 136 H GLN A 71 -7.132 1.469 -1.422 1.00 0.28 H +ATOM 137 HA GLN A 71 -8.642 -0.857 -1.197 1.00 0.35 H +ATOM 138 HB2 GLN A 71 -9.480 1.416 -1.802 1.00 0.69 H +ATOM 139 HB3 GLN A 71 -8.768 1.208 -3.395 1.00 0.97 H +ATOM 140 HG2 GLN A 71 -11.137 0.764 -3.437 1.00 1.98 H +ATOM 141 HG3 GLN A 71 -10.222 -0.697 -3.802 1.00 1.83 H +ATOM 142 HE21 GLN A 71 -11.943 -2.022 -3.214 1.00 2.67 H +ATOM 143 HE22 GLN A 71 -12.405 -2.257 -1.561 1.00 3.13 H +ATOM 144 N GLN A 72 -6.473 -0.840 -3.608 1.00 0.25 N +ATOM 145 CA GLN A 72 -5.807 -1.648 -4.613 1.00 0.27 C +ATOM 146 C GLN A 72 -5.349 -2.969 -4.011 1.00 0.29 C +ATOM 147 O GLN A 72 -5.316 -4.000 -4.681 1.00 0.42 O +ATOM 148 CB GLN A 72 -4.620 -0.872 -5.168 1.00 0.33 C +ATOM 149 CG GLN A 72 -4.938 -0.028 -6.387 1.00 1.05 C +ATOM 150 CD GLN A 72 -5.281 -0.867 -7.601 1.00 1.27 C +ATOM 151 OE1 GLN A 72 -4.401 -1.237 -8.377 1.00 2.02 O +ATOM 152 NE2 GLN A 72 -6.556 -1.176 -7.780 1.00 1.32 N +ATOM 153 H GLN A 72 -6.036 -0.016 -3.315 1.00 0.30 H +ATOM 154 HA GLN A 72 -6.504 -1.842 -5.406 1.00 0.29 H +ATOM 155 HB2 GLN A 72 -4.269 -0.210 -4.399 1.00 0.79 H +ATOM 156 HB3 GLN A 72 -3.836 -1.552 -5.419 1.00 0.88 H +ATOM 157 HG2 GLN A 72 -5.771 0.614 -6.155 1.00 1.44 H +ATOM 158 HG3 GLN A 72 -4.075 0.579 -6.620 1.00 1.50 H +ATOM 159 HE21 GLN A 72 -7.214 -0.850 -7.123 1.00 1.72 H +ATOM 160 HE22 GLN A 72 -6.796 -1.721 -8.564 1.00 1.45 H +ATOM 161 N LEU A 73 -5.011 -2.929 -2.730 1.00 0.23 N +ATOM 162 CA LEU A 73 -4.590 -4.121 -2.017 1.00 0.28 C +ATOM 163 C LEU A 73 -5.779 -4.755 -1.306 1.00 0.28 C +ATOM 164 O LEU A 73 -5.872 -5.976 -1.193 1.00 0.31 O +ATOM 165 CB LEU A 73 -3.482 -3.782 -1.019 1.00 0.38 C +ATOM 166 CG LEU A 73 -2.265 -3.077 -1.624 1.00 0.44 C +ATOM 167 CD1 LEU A 73 -1.105 -3.065 -0.642 1.00 0.83 C +ATOM 168 CD2 LEU A 73 -1.858 -3.736 -2.933 1.00 0.55 C +ATOM 169 H LEU A 73 -5.040 -2.070 -2.255 1.00 0.24 H +ATOM 170 HA LEU A 73 -4.208 -4.822 -2.744 1.00 0.30 H +ATOM 171 HB2 LEU A 73 -3.900 -3.143 -0.254 1.00 0.41 H +ATOM 172 HB3 LEU A 73 -3.148 -4.698 -0.558 1.00 0.42 H +ATOM 173 HG LEU A 73 -2.525 -2.049 -1.835 1.00 0.41 H +ATOM 174 HD11 LEU A 73 -1.407 -2.560 0.265 1.00 1.19 H +ATOM 175 HD12 LEU A 73 -0.268 -2.543 -1.081 1.00 1.60 H +ATOM 176 HD13 LEU A 73 -0.819 -4.080 -0.411 1.00 1.29 H +ATOM 177 HD21 LEU A 73 -2.673 -3.655 -3.640 1.00 0.95 H +ATOM 178 HD22 LEU A 73 -1.632 -4.776 -2.759 1.00 1.23 H +ATOM 179 HD23 LEU A 73 -0.987 -3.237 -3.331 1.00 1.13 H +ATOM 180 N ARG A 74 -6.698 -3.917 -0.841 1.00 0.29 N +ATOM 181 CA ARG A 74 -7.951 -4.383 -0.255 1.00 0.36 C +ATOM 182 C ARG A 74 -8.754 -5.166 -1.294 1.00 0.35 C +ATOM 183 O ARG A 74 -9.597 -5.998 -0.958 1.00 0.43 O +ATOM 184 CB ARG A 74 -8.749 -3.188 0.280 1.00 0.42 C +ATOM 185 CG ARG A 74 -8.015 -2.447 1.389 1.00 0.48 C +ATOM 186 CD ARG A 74 -8.427 -0.984 1.483 1.00 0.55 C +ATOM 187 NE ARG A 74 -9.734 -0.790 2.105 1.00 0.95 N +ATOM 188 CZ ARG A 74 -9.926 -0.037 3.188 1.00 1.09 C +ATOM 189 NH1 ARG A 74 -8.888 0.427 3.871 1.00 1.36 N +ATOM 190 NH2 ARG A 74 -11.153 0.217 3.616 1.00 1.50 N +ATOM 191 H ARG A 74 -6.519 -2.948 -0.876 1.00 0.28 H +ATOM 192 HA ARG A 74 -7.707 -5.039 0.566 1.00 0.41 H +ATOM 193 HB2 ARG A 74 -8.937 -2.498 -0.530 1.00 0.41 H +ATOM 194 HB3 ARG A 74 -9.692 -3.541 0.672 1.00 0.49 H +ATOM 195 HG2 ARG A 74 -8.232 -2.928 2.330 1.00 0.59 H +ATOM 196 HG3 ARG A 74 -6.953 -2.502 1.198 1.00 0.41 H +ATOM 197 HD2 ARG A 74 -7.681 -0.442 2.054 1.00 0.55 H +ATOM 198 HD3 ARG A 74 -8.460 -0.580 0.481 1.00 0.63 H +ATOM 199 HE ARG A 74 -10.510 -1.204 1.667 1.00 1.40 H +ATOM 200 HH11 ARG A 74 -7.945 0.201 3.584 1.00 1.47 H +ATOM 201 HH12 ARG A 74 -9.033 1.000 4.678 1.00 1.74 H +ATOM 202 HH21 ARG A 74 -11.950 -0.164 3.136 1.00 1.85 H +ATOM 203 HH22 ARG A 74 -11.293 0.794 4.430 1.00 1.65 H +ATOM 204 N ASP A 75 -8.462 -4.895 -2.561 1.00 0.32 N +ATOM 205 CA ASP A 75 -9.021 -5.654 -3.676 1.00 0.38 C +ATOM 206 C ASP A 75 -8.432 -7.061 -3.722 1.00 0.36 C +ATOM 207 O ASP A 75 -9.143 -8.036 -3.952 1.00 0.41 O +ATOM 208 CB ASP A 75 -8.734 -4.933 -4.996 1.00 0.45 C +ATOM 209 CG ASP A 75 -9.100 -5.761 -6.211 1.00 0.66 C +ATOM 210 OD1 ASP A 75 -10.258 -5.674 -6.667 1.00 0.83 O +ATOM 211 OD2 ASP A 75 -8.228 -6.494 -6.724 1.00 0.75 O +ATOM 212 H ASP A 75 -7.858 -4.145 -2.756 1.00 0.30 H +ATOM 213 HA ASP A 75 -10.091 -5.724 -3.534 1.00 0.45 H +ATOM 214 HB2 ASP A 75 -9.301 -4.014 -5.028 1.00 0.49 H +ATOM 215 HB3 ASP A 75 -7.679 -4.700 -5.047 1.00 0.40 H +ATOM 216 N MET A 76 -7.128 -7.160 -3.476 1.00 0.33 N +ATOM 217 CA MET A 76 -6.423 -8.434 -3.549 1.00 0.38 C +ATOM 218 C MET A 76 -6.666 -9.259 -2.290 1.00 0.46 C +ATOM 219 O MET A 76 -6.388 -10.457 -2.254 1.00 0.65 O +ATOM 220 CB MET A 76 -4.924 -8.193 -3.729 1.00 0.46 C +ATOM 221 CG MET A 76 -4.576 -7.432 -4.998 1.00 0.97 C +ATOM 222 SD MET A 76 -2.826 -7.009 -5.103 1.00 0.79 S +ATOM 223 CE MET A 76 -2.067 -8.633 -5.047 1.00 1.44 C +ATOM 224 H MET A 76 -6.626 -6.355 -3.228 1.00 0.33 H +ATOM 225 HA MET A 76 -6.798 -8.977 -4.404 1.00 0.40 H +ATOM 226 HB2 MET A 76 -4.560 -7.625 -2.885 1.00 1.19 H +ATOM 227 HB3 MET A 76 -4.416 -9.146 -3.755 1.00 1.13 H +ATOM 228 HG2 MET A 76 -4.835 -8.044 -5.849 1.00 1.60 H +ATOM 229 HG3 MET A 76 -5.154 -6.521 -5.024 1.00 1.67 H +ATOM 230 HE1 MET A 76 -0.992 -8.530 -5.080 1.00 1.97 H +ATOM 231 HE2 MET A 76 -2.397 -9.215 -5.895 1.00 1.71 H +ATOM 232 HE3 MET A 76 -2.354 -9.134 -4.133 1.00 2.11 H +ATOM 233 N GLY A 77 -7.192 -8.608 -1.264 1.00 0.40 N +ATOM 234 CA GLY A 77 -7.450 -9.279 -0.008 1.00 0.49 C +ATOM 235 C GLY A 77 -6.382 -8.981 1.020 1.00 0.43 C +ATOM 236 O GLY A 77 -6.198 -9.728 1.980 1.00 0.55 O +ATOM 237 H GLY A 77 -7.407 -7.659 -1.364 1.00 0.38 H +ATOM 238 HA2 GLY A 77 -8.405 -8.951 0.375 1.00 0.54 H +ATOM 239 HA3 GLY A 77 -7.486 -10.344 -0.178 1.00 0.61 H +ATOM 240 N ILE A 78 -5.666 -7.886 0.813 1.00 0.32 N +ATOM 241 CA ILE A 78 -4.609 -7.480 1.726 1.00 0.29 C +ATOM 242 C ILE A 78 -5.198 -6.644 2.855 1.00 0.30 C +ATOM 243 O ILE A 78 -5.809 -5.603 2.607 1.00 0.43 O +ATOM 244 CB ILE A 78 -3.511 -6.661 1.006 1.00 0.33 C +ATOM 245 CG1 ILE A 78 -3.105 -7.336 -0.312 1.00 0.52 C +ATOM 246 CG2 ILE A 78 -2.297 -6.479 1.909 1.00 0.47 C +ATOM 247 CD1 ILE A 78 -2.674 -8.779 -0.164 1.00 0.50 C +ATOM 248 H ILE A 78 -5.856 -7.330 0.027 1.00 0.32 H +ATOM 249 HA ILE A 78 -4.159 -8.372 2.140 1.00 0.33 H +ATOM 250 HB ILE A 78 -3.913 -5.682 0.787 1.00 0.40 H +ATOM 251 HG12 ILE A 78 -3.943 -7.313 -0.992 1.00 0.82 H +ATOM 252 HG13 ILE A 78 -2.282 -6.787 -0.748 1.00 0.94 H +ATOM 253 HG21 ILE A 78 -1.884 -7.446 2.156 1.00 1.11 H +ATOM 254 HG22 ILE A 78 -2.596 -5.974 2.816 1.00 1.13 H +ATOM 255 HG23 ILE A 78 -1.551 -5.889 1.398 1.00 1.02 H +ATOM 256 HD11 ILE A 78 -1.809 -8.833 0.479 1.00 0.98 H +ATOM 257 HD12 ILE A 78 -2.429 -9.180 -1.135 1.00 1.14 H +ATOM 258 HD13 ILE A 78 -3.484 -9.350 0.268 1.00 1.11 H +ATOM 259 N GLN A 79 -5.024 -7.103 4.084 1.00 0.31 N +ATOM 260 CA GLN A 79 -5.580 -6.411 5.239 1.00 0.43 C +ATOM 261 C GLN A 79 -4.551 -5.477 5.856 1.00 0.34 C +ATOM 262 O GLN A 79 -4.871 -4.680 6.739 1.00 0.42 O +ATOM 263 CB GLN A 79 -6.044 -7.407 6.295 1.00 0.64 C +ATOM 264 CG GLN A 79 -4.887 -8.083 6.989 1.00 1.08 C +ATOM 265 CD GLN A 79 -5.319 -9.023 8.095 1.00 1.99 C +ATOM 266 OE1 GLN A 79 -4.659 -10.021 8.371 1.00 2.78 O +ATOM 267 NE2 GLN A 79 -6.427 -8.705 8.742 1.00 2.43 N +ATOM 268 H GLN A 79 -4.499 -7.929 4.219 1.00 0.33 H +ATOM 269 HA GLN A 79 -6.420 -5.836 4.913 1.00 0.53 H +ATOM 270 HB2 GLN A 79 -6.635 -6.888 7.036 1.00 0.88 H +ATOM 271 HB3 GLN A 79 -6.651 -8.166 5.824 1.00 0.85 H +ATOM 272 HG2 GLN A 79 -4.334 -8.639 6.252 1.00 1.48 H +ATOM 273 HG3 GLN A 79 -4.255 -7.312 7.408 1.00 1.32 H +ATOM 274 HE21 GLN A 79 -6.902 -7.887 8.476 1.00 2.37 H +ATOM 275 HE22 GLN A 79 -6.732 -9.299 9.459 1.00 3.12 H +ATOM 276 N ASP A 80 -3.313 -5.586 5.396 1.00 0.34 N +ATOM 277 CA ASP A 80 -2.206 -4.846 5.978 1.00 0.33 C +ATOM 278 C ASP A 80 -2.193 -3.400 5.486 1.00 0.34 C +ATOM 279 O ASP A 80 -1.261 -2.963 4.816 1.00 0.37 O +ATOM 280 CB ASP A 80 -0.882 -5.545 5.649 1.00 0.45 C +ATOM 281 CG ASP A 80 -0.886 -7.007 6.041 1.00 0.60 C +ATOM 282 OD1 ASP A 80 -0.557 -7.311 7.208 1.00 0.77 O +ATOM 283 OD2 ASP A 80 -1.226 -7.852 5.189 1.00 0.76 O +ATOM 284 H ASP A 80 -3.134 -6.190 4.647 1.00 0.45 H +ATOM 285 HA ASP A 80 -2.341 -4.844 7.049 1.00 0.38 H +ATOM 286 HB2 ASP A 80 -0.694 -5.477 4.587 1.00 0.54 H +ATOM 287 HB3 ASP A 80 -0.084 -5.056 6.184 1.00 0.49 H +ATOM 288 N ASP A 81 -3.246 -2.670 5.827 1.00 0.41 N +ATOM 289 CA ASP A 81 -3.375 -1.256 5.479 1.00 0.52 C +ATOM 290 C ASP A 81 -2.284 -0.432 6.151 1.00 0.48 C +ATOM 291 O ASP A 81 -1.713 0.471 5.538 1.00 0.53 O +ATOM 292 CB ASP A 81 -4.746 -0.716 5.899 1.00 0.72 C +ATOM 293 CG ASP A 81 -5.880 -1.168 4.995 1.00 1.09 C +ATOM 294 OD1 ASP A 81 -6.341 -2.320 5.142 1.00 1.38 O +ATOM 295 OD2 ASP A 81 -6.329 -0.360 4.151 1.00 1.68 O +ATOM 296 H ASP A 81 -3.972 -3.103 6.320 1.00 0.44 H +ATOM 297 HA ASP A 81 -3.273 -1.165 4.407 1.00 0.58 H +ATOM 298 HB2 ASP A 81 -4.960 -1.054 6.901 1.00 1.41 H +ATOM 299 HB3 ASP A 81 -4.714 0.364 5.891 1.00 1.36 H +ATOM 300 N GLU A 82 -1.988 -0.763 7.409 1.00 0.44 N +ATOM 301 CA GLU A 82 -0.961 -0.055 8.178 1.00 0.52 C +ATOM 302 C GLU A 82 0.377 -0.204 7.462 1.00 0.40 C +ATOM 303 O GLU A 82 1.147 0.744 7.319 1.00 0.52 O +ATOM 304 CB GLU A 82 -0.890 -0.642 9.595 1.00 0.68 C +ATOM 305 CG GLU A 82 -0.260 0.271 10.642 1.00 1.52 C +ATOM 306 CD GLU A 82 1.242 0.408 10.512 1.00 2.05 C +ATOM 307 OE1 GLU A 82 1.958 -0.581 10.766 1.00 2.55 O +ATOM 308 OE2 GLU A 82 1.717 1.515 10.182 1.00 2.65 O +ATOM 309 H GLU A 82 -2.465 -1.517 7.828 1.00 0.43 H +ATOM 310 HA GLU A 82 -1.229 0.990 8.228 1.00 0.65 H +ATOM 311 HB2 GLU A 82 -1.893 -0.875 9.921 1.00 0.94 H +ATOM 312 HB3 GLU A 82 -0.316 -1.557 9.558 1.00 1.31 H +ATOM 313 HG2 GLU A 82 -0.698 1.254 10.548 1.00 2.13 H +ATOM 314 HG3 GLU A 82 -0.484 -0.125 11.621 1.00 2.15 H +ATOM 315 N LEU A 83 0.616 -1.419 7.006 1.00 0.29 N +ATOM 316 CA LEU A 83 1.775 -1.754 6.205 1.00 0.27 C +ATOM 317 C LEU A 83 1.752 -0.973 4.883 1.00 0.25 C +ATOM 318 O LEU A 83 2.684 -0.226 4.570 1.00 0.32 O +ATOM 319 CB LEU A 83 1.747 -3.280 5.980 1.00 0.27 C +ATOM 320 CG LEU A 83 2.672 -3.885 4.912 1.00 0.38 C +ATOM 321 CD1 LEU A 83 1.987 -3.845 3.553 1.00 0.41 C +ATOM 322 CD2 LEU A 83 4.026 -3.182 4.873 1.00 0.48 C +ATOM 323 H LEU A 83 -0.024 -2.128 7.218 1.00 0.35 H +ATOM 324 HA LEU A 83 2.661 -1.490 6.762 1.00 0.36 H +ATOM 325 HB2 LEU A 83 1.966 -3.763 6.918 1.00 0.32 H +ATOM 326 HB3 LEU A 83 0.732 -3.533 5.710 1.00 0.23 H +ATOM 327 HG LEU A 83 2.848 -4.925 5.154 1.00 0.42 H +ATOM 328 HD11 LEU A 83 1.070 -4.419 3.597 1.00 0.97 H +ATOM 329 HD12 LEU A 83 2.641 -4.264 2.803 1.00 1.07 H +ATOM 330 HD13 LEU A 83 1.751 -2.820 3.298 1.00 1.09 H +ATOM 331 HD21 LEU A 83 4.518 -3.297 5.829 1.00 1.00 H +ATOM 332 HD22 LEU A 83 3.879 -2.133 4.668 1.00 0.94 H +ATOM 333 HD23 LEU A 83 4.637 -3.619 4.098 1.00 1.05 H +ATOM 334 N SER A 84 0.665 -1.135 4.137 1.00 0.26 N +ATOM 335 CA SER A 84 0.545 -0.589 2.792 1.00 0.36 C +ATOM 336 C SER A 84 0.758 0.919 2.766 1.00 0.28 C +ATOM 337 O SER A 84 1.579 1.410 2.001 1.00 0.24 O +ATOM 338 CB SER A 84 -0.820 -0.955 2.211 1.00 0.55 C +ATOM 339 OG SER A 84 -1.065 -0.296 0.981 1.00 0.84 O +ATOM 340 H SER A 84 -0.091 -1.645 4.508 1.00 0.26 H +ATOM 341 HA SER A 84 1.310 -1.050 2.184 1.00 0.45 H +ATOM 342 HB2 SER A 84 -0.857 -2.021 2.039 1.00 0.54 H +ATOM 343 HB3 SER A 84 -1.586 -0.683 2.913 1.00 0.56 H +ATOM 344 HG SER A 84 -0.790 -0.861 0.253 1.00 0.80 H +ATOM 345 N LEU A 85 0.047 1.641 3.626 1.00 0.28 N +ATOM 346 CA LEU A 85 0.131 3.102 3.669 1.00 0.27 C +ATOM 347 C LEU A 85 1.594 3.551 3.772 1.00 0.23 C +ATOM 348 O LEU A 85 1.995 4.543 3.165 1.00 0.24 O +ATOM 349 CB LEU A 85 -0.674 3.620 4.869 1.00 0.31 C +ATOM 350 CG LEU A 85 -1.306 5.015 4.731 1.00 0.33 C +ATOM 351 CD1 LEU A 85 -0.250 6.092 4.565 1.00 0.36 C +ATOM 352 CD2 LEU A 85 -2.279 5.047 3.568 1.00 0.33 C +ATOM 353 H LEU A 85 -0.556 1.180 4.254 1.00 0.31 H +ATOM 354 HA LEU A 85 -0.293 3.495 2.754 1.00 0.28 H +ATOM 355 HB2 LEU A 85 -1.467 2.915 5.068 1.00 0.35 H +ATOM 356 HB3 LEU A 85 -0.016 3.636 5.721 1.00 0.32 H +ATOM 357 HG LEU A 85 -1.860 5.235 5.631 1.00 0.37 H +ATOM 358 HD11 LEU A 85 0.362 5.861 3.706 1.00 1.14 H +ATOM 359 HD12 LEU A 85 0.367 6.132 5.450 1.00 1.04 H +ATOM 360 HD13 LEU A 85 -0.731 7.048 4.417 1.00 0.95 H +ATOM 361 HD21 LEU A 85 -1.756 4.801 2.654 1.00 0.99 H +ATOM 362 HD22 LEU A 85 -2.708 6.034 3.482 1.00 1.00 H +ATOM 363 HD23 LEU A 85 -3.065 4.325 3.737 1.00 0.92 H +ATOM 364 N ARG A 86 2.401 2.778 4.492 1.00 0.20 N +ATOM 365 CA ARG A 86 3.800 3.132 4.703 1.00 0.19 C +ATOM 366 C ARG A 86 4.632 2.814 3.467 1.00 0.16 C +ATOM 367 O ARG A 86 5.515 3.584 3.088 1.00 0.20 O +ATOM 368 CB ARG A 86 4.373 2.425 5.933 1.00 0.24 C +ATOM 369 CG ARG A 86 3.993 3.097 7.243 1.00 0.41 C +ATOM 370 CD ARG A 86 4.680 2.441 8.429 1.00 0.53 C +ATOM 371 NE ARG A 86 4.069 1.163 8.785 1.00 1.09 N +ATOM 372 CZ ARG A 86 4.719 0.001 8.820 1.00 1.46 C +ATOM 373 NH1 ARG A 86 6.002 -0.062 8.482 1.00 1.35 N +ATOM 374 NH2 ARG A 86 4.085 -1.094 9.210 1.00 2.37 N +ATOM 375 H ARG A 86 2.054 1.936 4.857 1.00 0.22 H +ATOM 376 HA ARG A 86 3.840 4.199 4.870 1.00 0.24 H +ATOM 377 HB2 ARG A 86 4.008 1.408 5.953 1.00 0.31 H +ATOM 378 HB3 ARG A 86 5.450 2.410 5.859 1.00 0.29 H +ATOM 379 HG2 ARG A 86 4.284 4.135 7.201 1.00 0.47 H +ATOM 380 HG3 ARG A 86 2.922 3.027 7.374 1.00 0.50 H +ATOM 381 HD2 ARG A 86 5.717 2.274 8.180 1.00 1.15 H +ATOM 382 HD3 ARG A 86 4.618 3.106 9.277 1.00 1.02 H +ATOM 383 HE ARG A 86 3.111 1.179 9.037 1.00 1.65 H +ATOM 384 HH11 ARG A 86 6.492 0.763 8.201 1.00 1.30 H +ATOM 385 HH12 ARG A 86 6.493 -0.946 8.517 1.00 1.79 H +ATOM 386 HH21 ARG A 86 3.115 -1.044 9.490 1.00 2.85 H +ATOM 387 HH22 ARG A 86 4.561 -1.982 9.232 1.00 2.69 H +ATOM 388 N ALA A 87 4.338 1.688 2.829 1.00 0.16 N +ATOM 389 CA ALA A 87 4.980 1.338 1.572 1.00 0.19 C +ATOM 390 C ALA A 87 4.612 2.357 0.502 1.00 0.16 C +ATOM 391 O ALA A 87 5.383 2.642 -0.413 1.00 0.19 O +ATOM 392 CB ALA A 87 4.563 -0.061 1.149 1.00 0.25 C +ATOM 393 H ALA A 87 3.669 1.078 3.210 1.00 0.18 H +ATOM 394 HA ALA A 87 6.049 1.348 1.722 1.00 0.22 H +ATOM 395 HB1 ALA A 87 4.997 -0.293 0.188 1.00 0.87 H +ATOM 396 HB2 ALA A 87 3.483 -0.112 1.081 1.00 1.07 H +ATOM 397 HB3 ALA A 87 4.908 -0.776 1.882 1.00 0.92 H +ATOM 398 N LEU A 88 3.418 2.903 0.643 1.00 0.14 N +ATOM 399 CA LEU A 88 2.920 3.943 -0.238 1.00 0.14 C +ATOM 400 C LEU A 88 3.660 5.258 -0.015 1.00 0.15 C +ATOM 401 O LEU A 88 4.093 5.904 -0.970 1.00 0.18 O +ATOM 402 CB LEU A 88 1.427 4.134 -0.002 1.00 0.17 C +ATOM 403 CG LEU A 88 0.504 3.290 -0.880 1.00 0.19 C +ATOM 404 CD1 LEU A 88 0.566 3.779 -2.316 1.00 0.25 C +ATOM 405 CD2 LEU A 88 0.864 1.813 -0.825 1.00 0.18 C +ATOM 406 H LEU A 88 2.833 2.578 1.367 1.00 0.16 H +ATOM 407 HA LEU A 88 3.078 3.620 -1.255 1.00 0.16 H +ATOM 408 HB2 LEU A 88 1.217 3.899 1.030 1.00 0.17 H +ATOM 409 HB3 LEU A 88 1.189 5.174 -0.170 1.00 0.19 H +ATOM 410 HG LEU A 88 -0.506 3.401 -0.518 1.00 0.21 H +ATOM 411 HD11 LEU A 88 1.577 3.687 -2.684 1.00 1.04 H +ATOM 412 HD12 LEU A 88 0.261 4.814 -2.358 1.00 0.93 H +ATOM 413 HD13 LEU A 88 -0.095 3.183 -2.929 1.00 0.98 H +ATOM 414 HD21 LEU A 88 0.180 1.251 -1.444 1.00 0.93 H +ATOM 415 HD22 LEU A 88 0.797 1.463 0.195 1.00 1.02 H +ATOM 416 HD23 LEU A 88 1.872 1.675 -1.187 1.00 0.87 H +ATOM 417 N GLN A 89 3.794 5.651 1.246 1.00 0.17 N +ATOM 418 CA GLN A 89 4.557 6.838 1.607 1.00 0.21 C +ATOM 419 C GLN A 89 5.994 6.734 1.100 1.00 0.20 C +ATOM 420 O GLN A 89 6.562 7.709 0.607 1.00 0.27 O +ATOM 421 CB GLN A 89 4.554 7.024 3.125 1.00 0.28 C +ATOM 422 CG GLN A 89 3.182 7.320 3.707 1.00 0.83 C +ATOM 423 CD GLN A 89 3.180 7.328 5.226 1.00 1.19 C +ATOM 424 OE1 GLN A 89 2.965 6.295 5.864 1.00 1.95 O +ATOM 425 NE2 GLN A 89 3.411 8.488 5.818 1.00 1.51 N +ATOM 426 H GLN A 89 3.350 5.137 1.957 1.00 0.18 H +ATOM 427 HA GLN A 89 4.084 7.692 1.145 1.00 0.25 H +ATOM 428 HB2 GLN A 89 4.930 6.123 3.586 1.00 0.69 H +ATOM 429 HB3 GLN A 89 5.208 7.842 3.371 1.00 0.85 H +ATOM 430 HG2 GLN A 89 2.858 8.287 3.357 1.00 1.15 H +ATOM 431 HG3 GLN A 89 2.490 6.563 3.364 1.00 1.21 H +ATOM 432 HE21 GLN A 89 3.571 9.279 5.255 1.00 1.99 H +ATOM 433 HE22 GLN A 89 3.410 8.516 6.799 1.00 1.73 H +ATOM 434 N ALA A 90 6.562 5.538 1.206 1.00 0.18 N +ATOM 435 CA ALA A 90 7.937 5.295 0.789 1.00 0.22 C +ATOM 436 C ALA A 90 8.106 5.413 -0.724 1.00 0.23 C +ATOM 437 O ALA A 90 9.145 5.862 -1.206 1.00 0.36 O +ATOM 438 CB ALA A 90 8.389 3.924 1.262 1.00 0.28 C +ATOM 439 H ALA A 90 6.045 4.798 1.594 1.00 0.18 H +ATOM 440 HA ALA A 90 8.563 6.033 1.266 1.00 0.26 H +ATOM 441 HB1 ALA A 90 9.440 3.794 1.042 1.00 1.01 H +ATOM 442 HB2 ALA A 90 7.819 3.162 0.753 1.00 1.03 H +ATOM 443 HB3 ALA A 90 8.232 3.840 2.326 1.00 0.95 H +ATOM 444 N THR A 91 7.087 5.012 -1.468 1.00 0.20 N +ATOM 445 CA THR A 91 7.160 5.032 -2.921 1.00 0.22 C +ATOM 446 C THR A 91 6.737 6.386 -3.479 1.00 0.25 C +ATOM 447 O THR A 91 7.275 6.850 -4.484 1.00 0.50 O +ATOM 448 CB THR A 91 6.282 3.926 -3.533 1.00 0.27 C +ATOM 449 OG1 THR A 91 4.950 4.009 -3.010 1.00 0.30 O +ATOM 450 CG2 THR A 91 6.860 2.560 -3.222 1.00 0.32 C +ATOM 451 H THR A 91 6.270 4.692 -1.033 1.00 0.25 H +ATOM 452 HA THR A 91 8.186 4.843 -3.203 1.00 0.24 H +ATOM 453 HB THR A 91 6.255 4.055 -4.605 1.00 0.31 H +ATOM 454 HG1 THR A 91 4.824 3.308 -2.357 1.00 0.56 H +ATOM 455 HG21 THR A 91 6.930 2.436 -2.151 1.00 0.93 H +ATOM 456 HG22 THR A 91 7.843 2.476 -3.659 1.00 0.94 H +ATOM 457 HG23 THR A 91 6.217 1.795 -3.632 1.00 1.05 H +ATOM 458 N GLY A 92 5.781 7.018 -2.815 1.00 0.25 N +ATOM 459 CA GLY A 92 5.271 8.290 -3.277 1.00 0.26 C +ATOM 460 C GLY A 92 3.825 8.186 -3.710 1.00 0.29 C +ATOM 461 O GLY A 92 3.160 9.194 -3.946 1.00 0.60 O +ATOM 462 H GLY A 92 5.411 6.610 -1.998 1.00 0.40 H +ATOM 463 HA2 GLY A 92 5.348 9.013 -2.477 1.00 0.27 H +ATOM 464 HA3 GLY A 92 5.865 8.625 -4.114 1.00 0.31 H +ATOM 465 N GLY A 93 3.331 6.960 -3.787 1.00 0.19 N +ATOM 466 CA GLY A 93 1.964 6.739 -4.201 1.00 0.20 C +ATOM 467 C GLY A 93 1.856 5.741 -5.333 1.00 0.22 C +ATOM 468 O GLY A 93 1.092 5.943 -6.278 1.00 0.37 O +ATOM 469 H GLY A 93 3.901 6.197 -3.551 1.00 0.37 H +ATOM 470 HA2 GLY A 93 1.401 6.368 -3.357 1.00 0.22 H +ATOM 471 HA3 GLY A 93 1.538 7.678 -4.519 1.00 0.23 H +ATOM 472 N ASP A 94 2.619 4.660 -5.245 1.00 0.16 N +ATOM 473 CA ASP A 94 2.549 3.605 -6.242 1.00 0.20 C +ATOM 474 C ASP A 94 2.381 2.259 -5.558 1.00 0.19 C +ATOM 475 O ASP A 94 3.030 1.974 -4.554 1.00 0.26 O +ATOM 476 CB ASP A 94 3.799 3.580 -7.126 1.00 0.24 C +ATOM 477 CG ASP A 94 3.614 2.674 -8.330 1.00 0.33 C +ATOM 478 OD1 ASP A 94 2.872 3.060 -9.262 1.00 0.56 O +ATOM 479 OD2 ASP A 94 4.182 1.568 -8.341 1.00 0.29 O +ATOM 480 H ASP A 94 3.234 4.561 -4.489 1.00 0.15 H +ATOM 481 HA ASP A 94 1.682 3.792 -6.860 1.00 0.25 H +ATOM 482 HB2 ASP A 94 4.013 4.577 -7.474 1.00 0.27 H +ATOM 483 HB3 ASP A 94 4.634 3.214 -6.549 1.00 0.22 H +ATOM 484 N ILE A 95 1.505 1.444 -6.117 1.00 0.19 N +ATOM 485 CA ILE A 95 1.171 0.147 -5.554 1.00 0.21 C +ATOM 486 C ILE A 95 2.164 -0.908 -5.989 1.00 0.21 C +ATOM 487 O ILE A 95 2.687 -1.664 -5.175 1.00 0.22 O +ATOM 488 CB ILE A 95 -0.243 -0.263 -5.996 1.00 0.26 C +ATOM 489 CG1 ILE A 95 -1.264 0.562 -5.230 1.00 0.27 C +ATOM 490 CG2 ILE A 95 -0.486 -1.756 -5.792 1.00 0.31 C +ATOM 491 CD1 ILE A 95 -1.347 0.189 -3.773 1.00 0.29 C +ATOM 492 H ILE A 95 1.074 1.716 -6.958 1.00 0.24 H +ATOM 493 HA ILE A 95 1.183 0.228 -4.478 1.00 0.21 H +ATOM 494 HB ILE A 95 -0.343 -0.050 -7.050 1.00 0.28 H +ATOM 495 HG12 ILE A 95 -0.987 1.609 -5.281 1.00 0.26 H +ATOM 496 HG13 ILE A 95 -2.234 0.424 -5.673 1.00 0.31 H +ATOM 497 HG21 ILE A 95 -1.477 -2.011 -6.136 1.00 1.06 H +ATOM 498 HG22 ILE A 95 -0.398 -1.995 -4.743 1.00 1.08 H +ATOM 499 HG23 ILE A 95 0.247 -2.320 -6.352 1.00 0.95 H +ATOM 500 HD11 ILE A 95 -2.126 0.771 -3.299 1.00 0.82 H +ATOM 501 HD12 ILE A 95 -0.400 0.390 -3.297 1.00 1.02 H +ATOM 502 HD13 ILE A 95 -1.579 -0.863 -3.688 1.00 0.97 H +ATOM 503 N GLN A 96 2.426 -0.940 -7.275 1.00 0.21 N +ATOM 504 CA GLN A 96 3.340 -1.914 -7.846 1.00 0.25 C +ATOM 505 C GLN A 96 4.738 -1.774 -7.249 1.00 0.19 C +ATOM 506 O GLN A 96 5.445 -2.765 -7.063 1.00 0.23 O +ATOM 507 CB GLN A 96 3.370 -1.756 -9.356 1.00 0.36 C +ATOM 508 CG GLN A 96 2.050 -2.121 -10.010 1.00 0.45 C +ATOM 509 CD GLN A 96 2.029 -1.853 -11.496 1.00 1.22 C +ATOM 510 OE1 GLN A 96 3.056 -1.926 -12.172 1.00 1.89 O +ATOM 511 NE2 GLN A 96 0.853 -1.533 -12.011 1.00 2.05 N +ATOM 512 H GLN A 96 1.986 -0.283 -7.864 1.00 0.21 H +ATOM 513 HA GLN A 96 2.959 -2.898 -7.607 1.00 0.29 H +ATOM 514 HB2 GLN A 96 3.595 -0.724 -9.590 1.00 0.39 H +ATOM 515 HB3 GLN A 96 4.142 -2.389 -9.763 1.00 0.45 H +ATOM 516 HG2 GLN A 96 1.863 -3.173 -9.849 1.00 0.90 H +ATOM 517 HG3 GLN A 96 1.262 -1.545 -9.546 1.00 0.95 H +ATOM 518 HE21 GLN A 96 0.079 -1.494 -11.403 1.00 2.38 H +ATOM 519 HE22 GLN A 96 0.801 -1.341 -12.973 1.00 2.65 H +ATOM 520 N ALA A 97 5.126 -0.542 -6.946 1.00 0.19 N +ATOM 521 CA ALA A 97 6.383 -0.281 -6.257 1.00 0.16 C +ATOM 522 C ALA A 97 6.247 -0.572 -4.763 1.00 0.14 C +ATOM 523 O ALA A 97 7.214 -0.949 -4.102 1.00 0.15 O +ATOM 524 CB ALA A 97 6.824 1.158 -6.486 1.00 0.19 C +ATOM 525 H ALA A 97 4.558 0.219 -7.216 1.00 0.24 H +ATOM 526 HA ALA A 97 7.134 -0.936 -6.676 1.00 0.18 H +ATOM 527 HB1 ALA A 97 7.751 1.339 -5.963 1.00 0.86 H +ATOM 528 HB2 ALA A 97 6.064 1.835 -6.116 1.00 0.93 H +ATOM 529 HB3 ALA A 97 6.968 1.327 -7.542 1.00 0.77 H +ATOM 530 N ALA A 98 5.038 -0.408 -4.233 1.00 0.15 N +ATOM 531 CA ALA A 98 4.786 -0.648 -2.816 1.00 0.16 C +ATOM 532 C ALA A 98 5.021 -2.108 -2.461 1.00 0.18 C +ATOM 533 O ALA A 98 5.666 -2.402 -1.463 1.00 0.24 O +ATOM 534 CB ALA A 98 3.373 -0.235 -2.436 1.00 0.22 C +ATOM 535 H ALA A 98 4.298 -0.121 -4.810 1.00 0.19 H +ATOM 536 HA ALA A 98 5.477 -0.040 -2.250 1.00 0.19 H +ATOM 537 HB1 ALA A 98 3.208 0.792 -2.728 1.00 0.90 H +ATOM 538 HB2 ALA A 98 3.246 -0.328 -1.366 1.00 1.00 H +ATOM 539 HB3 ALA A 98 2.661 -0.873 -2.939 1.00 0.99 H +ATOM 540 N LEU A 99 4.512 -3.021 -3.291 1.00 0.22 N +ATOM 541 CA LEU A 99 4.705 -4.456 -3.082 1.00 0.28 C +ATOM 542 C LEU A 99 6.183 -4.839 -3.068 1.00 0.27 C +ATOM 543 O LEU A 99 6.541 -5.927 -2.631 1.00 0.36 O +ATOM 544 CB LEU A 99 3.973 -5.266 -4.158 1.00 0.35 C +ATOM 545 CG LEU A 99 2.483 -5.509 -3.897 1.00 0.74 C +ATOM 546 CD1 LEU A 99 1.674 -4.231 -4.033 1.00 1.61 C +ATOM 547 CD2 LEU A 99 1.946 -6.581 -4.831 1.00 1.21 C +ATOM 548 H LEU A 99 3.976 -2.723 -4.059 1.00 0.26 H +ATOM 549 HA LEU A 99 4.284 -4.704 -2.122 1.00 0.34 H +ATOM 550 HB2 LEU A 99 4.072 -4.745 -5.100 1.00 0.42 H +ATOM 551 HB3 LEU A 99 4.459 -6.225 -4.247 1.00 0.39 H +ATOM 552 HG LEU A 99 2.366 -5.859 -2.886 1.00 1.63 H +ATOM 553 HD11 LEU A 99 0.629 -4.447 -3.858 1.00 2.02 H +ATOM 554 HD12 LEU A 99 1.796 -3.832 -5.030 1.00 2.17 H +ATOM 555 HD13 LEU A 99 2.016 -3.507 -3.310 1.00 2.23 H +ATOM 556 HD21 LEU A 99 2.065 -6.256 -5.854 1.00 1.72 H +ATOM 557 HD22 LEU A 99 0.899 -6.748 -4.626 1.00 1.89 H +ATOM 558 HD23 LEU A 99 2.495 -7.498 -4.679 1.00 1.73 H +ATOM 559 N GLU A 100 7.033 -3.929 -3.518 1.00 0.24 N +ATOM 560 CA GLU A 100 8.466 -4.166 -3.565 1.00 0.28 C +ATOM 561 C GLU A 100 9.095 -3.631 -2.291 1.00 0.32 C +ATOM 562 O GLU A 100 9.988 -4.245 -1.707 1.00 0.40 O +ATOM 563 CB GLU A 100 9.074 -3.489 -4.793 1.00 0.29 C +ATOM 564 CG GLU A 100 8.386 -3.884 -6.089 1.00 0.35 C +ATOM 565 CD GLU A 100 8.983 -3.207 -7.301 1.00 1.21 C +ATOM 566 OE1 GLU A 100 8.591 -2.066 -7.610 1.00 2.20 O +ATOM 567 OE2 GLU A 100 9.846 -3.822 -7.963 1.00 1.22 O +ATOM 568 H GLU A 100 6.686 -3.060 -3.792 1.00 0.21 H +ATOM 569 HA GLU A 100 8.631 -5.232 -3.622 1.00 0.33 H +ATOM 570 HB2 GLU A 100 8.995 -2.418 -4.679 1.00 0.25 H +ATOM 571 HB3 GLU A 100 10.116 -3.762 -4.865 1.00 0.37 H +ATOM 572 HG2 GLU A 100 8.475 -4.953 -6.216 1.00 0.89 H +ATOM 573 HG3 GLU A 100 7.342 -3.617 -6.023 1.00 0.90 H +ATOM 574 N LEU A 101 8.595 -2.483 -1.859 1.00 0.31 N +ATOM 575 CA LEU A 101 8.956 -1.917 -0.573 1.00 0.35 C +ATOM 576 C LEU A 101 8.522 -2.862 0.539 1.00 0.39 C +ATOM 577 O LEU A 101 9.252 -3.080 1.504 1.00 0.50 O +ATOM 578 CB LEU A 101 8.295 -0.545 -0.402 1.00 0.37 C +ATOM 579 CG LEU A 101 9.106 0.655 -0.909 1.00 0.74 C +ATOM 580 CD1 LEU A 101 10.273 0.937 0.018 1.00 1.41 C +ATOM 581 CD2 LEU A 101 9.615 0.414 -2.322 1.00 1.16 C +ATOM 582 H LEU A 101 7.961 -1.995 -2.429 1.00 0.30 H +ATOM 583 HA LEU A 101 10.028 -1.804 -0.545 1.00 0.38 H +ATOM 584 HB2 LEU A 101 7.353 -0.559 -0.930 1.00 0.47 H +ATOM 585 HB3 LEU A 101 8.095 -0.398 0.644 1.00 0.68 H +ATOM 586 HG LEU A 101 8.473 1.529 -0.924 1.00 1.49 H +ATOM 587 HD11 LEU A 101 10.848 1.765 -0.371 1.00 2.17 H +ATOM 588 HD12 LEU A 101 10.902 0.062 0.083 1.00 1.62 H +ATOM 589 HD13 LEU A 101 9.901 1.188 1.000 1.00 1.91 H +ATOM 590 HD21 LEU A 101 8.779 0.230 -2.980 1.00 1.65 H +ATOM 591 HD22 LEU A 101 10.273 -0.443 -2.324 1.00 1.66 H +ATOM 592 HD23 LEU A 101 10.157 1.284 -2.663 1.00 1.77 H +ATOM 593 N ILE A 102 7.330 -3.430 0.379 1.00 0.35 N +ATOM 594 CA ILE A 102 6.809 -4.423 1.306 1.00 0.41 C +ATOM 595 C ILE A 102 7.635 -5.701 1.233 1.00 0.49 C +ATOM 596 O ILE A 102 7.974 -6.305 2.250 1.00 0.54 O +ATOM 597 CB ILE A 102 5.338 -4.766 0.993 1.00 0.40 C +ATOM 598 CG1 ILE A 102 4.473 -3.511 1.062 1.00 0.34 C +ATOM 599 CG2 ILE A 102 4.810 -5.817 1.965 1.00 0.49 C +ATOM 600 CD1 ILE A 102 3.161 -3.654 0.326 1.00 0.36 C +ATOM 601 H ILE A 102 6.777 -3.159 -0.389 1.00 0.30 H +ATOM 602 HA ILE A 102 6.863 -4.014 2.297 1.00 0.42 H +ATOM 603 HB ILE A 102 5.290 -5.175 -0.004 1.00 0.40 H +ATOM 604 HG12 ILE A 102 4.250 -3.294 2.094 1.00 0.36 H +ATOM 605 HG13 ILE A 102 5.013 -2.680 0.630 1.00 0.30 H +ATOM 606 HG21 ILE A 102 4.820 -5.417 2.970 1.00 1.15 H +ATOM 607 HG22 ILE A 102 5.436 -6.696 1.921 1.00 1.11 H +ATOM 608 HG23 ILE A 102 3.798 -6.081 1.694 1.00 1.14 H +ATOM 609 HD11 ILE A 102 3.358 -3.880 -0.710 1.00 1.00 H +ATOM 610 HD12 ILE A 102 2.605 -2.732 0.399 1.00 1.04 H +ATOM 611 HD13 ILE A 102 2.590 -4.458 0.768 1.00 0.97 H +ATOM 612 N PHE A 103 7.940 -6.103 0.007 1.00 0.54 N +ATOM 613 CA PHE A 103 8.750 -7.290 -0.253 1.00 0.67 C +ATOM 614 C PHE A 103 10.093 -7.215 0.473 1.00 0.69 C +ATOM 615 O PHE A 103 10.512 -8.173 1.125 1.00 0.80 O +ATOM 616 CB PHE A 103 8.980 -7.436 -1.761 1.00 0.82 C +ATOM 617 CG PHE A 103 9.647 -8.716 -2.162 1.00 1.35 C +ATOM 618 CD1 PHE A 103 8.897 -9.855 -2.387 1.00 1.43 C +ATOM 619 CD2 PHE A 103 11.021 -8.775 -2.327 1.00 2.00 C +ATOM 620 CE1 PHE A 103 9.504 -11.036 -2.760 1.00 1.97 C +ATOM 621 CE2 PHE A 103 11.634 -9.953 -2.699 1.00 2.61 C +ATOM 622 CZ PHE A 103 10.875 -11.084 -2.918 1.00 2.55 C +ATOM 623 H PHE A 103 7.588 -5.592 -0.757 1.00 0.51 H +ATOM 624 HA PHE A 103 8.206 -8.151 0.104 1.00 0.74 H +ATOM 625 HB2 PHE A 103 8.028 -7.389 -2.267 1.00 0.70 H +ATOM 626 HB3 PHE A 103 9.601 -6.619 -2.099 1.00 1.02 H +ATOM 627 HD1 PHE A 103 7.826 -9.818 -2.263 1.00 1.28 H +ATOM 628 HD2 PHE A 103 11.613 -7.890 -2.154 1.00 2.10 H +ATOM 629 HE1 PHE A 103 8.908 -11.920 -2.933 1.00 2.05 H +ATOM 630 HE2 PHE A 103 12.707 -9.990 -2.823 1.00 3.18 H +ATOM 631 HZ PHE A 103 11.353 -12.007 -3.211 1.00 3.03 H +ATOM 632 N ALA A 104 10.750 -6.067 0.376 1.00 0.78 N +ATOM 633 CA ALA A 104 12.064 -5.890 0.974 1.00 0.92 C +ATOM 634 C ALA A 104 11.917 -5.621 2.457 1.00 1.48 C +ATOM 635 O ALA A 104 12.713 -6.079 3.275 1.00 1.80 O +ATOM 636 CB ALA A 104 12.812 -4.754 0.291 1.00 1.54 C +ATOM 637 H ALA A 104 10.328 -5.312 -0.085 1.00 0.85 H +ATOM 638 HA ALA A 104 12.626 -6.802 0.832 1.00 0.83 H +ATOM 639 HB1 ALA A 104 12.265 -3.831 0.419 1.00 2.09 H +ATOM 640 HB2 ALA A 104 12.913 -4.971 -0.762 1.00 1.73 H +ATOM 641 HB3 ALA A 104 13.793 -4.654 0.731 1.00 2.02 H +ATOM 642 N GLY A 105 10.879 -4.873 2.786 1.00 1.85 N +ATOM 643 CA GLY A 105 10.539 -4.622 4.162 1.00 2.70 C +ATOM 644 C GLY A 105 10.999 -3.260 4.640 1.00 2.11 C +ATOM 645 O GLY A 105 10.797 -2.897 5.799 1.00 2.71 O +ATOM 646 H GLY A 105 10.326 -4.485 2.074 1.00 1.64 H +ATOM 647 HA2 GLY A 105 9.467 -4.686 4.255 1.00 3.46 H +ATOM 648 HA3 GLY A 105 10.993 -5.381 4.781 1.00 3.30 H +ATOM 649 N GLY A 106 11.611 -2.500 3.744 1.00 1.17 N +ATOM 650 CA GLY A 106 12.108 -1.188 4.106 1.00 1.09 C +ATOM 651 C GLY A 106 12.314 -0.290 2.904 1.00 1.46 C +ATOM 652 O GLY A 106 11.678 0.760 2.794 1.00 2.04 O +ATOM 653 H GLY A 106 11.719 -2.831 2.831 1.00 1.05 H +ATOM 654 HA2 GLY A 106 11.404 -0.719 4.779 1.00 1.54 H +ATOM 655 HA3 GLY A 106 13.051 -1.307 4.616 1.00 1.10 H +ATOM 656 N ALA A 107 13.201 -0.709 2.007 1.00 1.87 N +ATOM 657 CA ALA A 107 13.527 0.051 0.808 1.00 2.61 C +ATOM 658 C ALA A 107 14.439 -0.773 -0.094 1.00 3.35 C +ATOM 659 O ALA A 107 15.203 -1.604 0.396 1.00 3.92 O +ATOM 660 CB ALA A 107 14.204 1.366 1.174 1.00 3.42 C +ATOM 661 H ALA A 107 13.660 -1.560 2.158 1.00 2.04 H +ATOM 662 HA ALA A 107 12.609 0.271 0.282 1.00 2.38 H +ATOM 663 HB1 ALA A 107 13.551 1.939 1.814 1.00 3.44 H +ATOM 664 HB2 ALA A 107 14.411 1.927 0.274 1.00 3.93 H +ATOM 665 HB3 ALA A 107 15.129 1.161 1.692 1.00 3.93 H +ATOM 666 N PRO A 108 14.349 -0.579 -1.419 1.00 3.64 N +ATOM 667 CA PRO A 108 15.213 -1.268 -2.380 1.00 4.62 C +ATOM 668 C PRO A 108 16.670 -0.835 -2.239 1.00 5.27 C +ATOM 669 O PRO A 108 16.964 0.361 -2.455 1.00 5.78 O +ATOM 670 CB PRO A 108 14.649 -0.854 -3.745 1.00 4.83 C +ATOM 671 CG PRO A 108 13.920 0.420 -3.491 1.00 4.05 C +ATOM 672 CD PRO A 108 13.395 0.324 -2.086 1.00 3.34 C +ATOM 673 OXT PRO A 108 17.519 -1.682 -1.894 1.00 5.53 O +ATOM 674 HA PRO A 108 15.146 -2.343 -2.270 1.00 4.91 H +ATOM 675 HB2 PRO A 108 15.460 -0.713 -4.445 1.00 5.24 H +ATOM 676 HB3 PRO A 108 13.983 -1.623 -4.112 1.00 5.32 H +ATOM 677 HG2 PRO A 108 14.598 1.257 -3.581 1.00 4.26 H +ATOM 678 HG3 PRO A 108 13.103 0.523 -4.189 1.00 4.07 H +ATOM 679 HD2 PRO A 108 13.393 1.295 -1.616 1.00 3.46 H +ATOM 680 HD3 PRO A 108 12.401 -0.100 -2.084 1.00 2.82 H Added: SwiftApps/modFTdock/input/indata/2did-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2did-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2did-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,732 @@ +ATOM 1 N GLY A 1 -12.589 -21.432 -0.186 1.00 0.00 N +ATOM 2 CA GLY A 1 -11.422 -21.873 -0.928 1.00 0.00 C +ATOM 3 C GLY A 1 -10.137 -21.269 -0.397 1.00 0.00 C +ATOM 4 O GLY A 1 -10.142 -20.573 0.618 1.00 0.00 O +ATOM 5 H1 GLY A 1 -13.445 -21.896 -0.302 1.00 0.00 H +ATOM 6 HA2 GLY A 1 -11.355 -22.949 -0.866 1.00 0.00 H +ATOM 7 HA3 GLY A 1 -11.539 -21.588 -1.963 1.00 0.00 H +ATOM 8 N SER A 2 -9.031 -21.537 -1.085 1.00 0.00 N +ATOM 9 CA SER A 2 -7.731 -21.020 -0.674 1.00 0.00 C +ATOM 10 C SER A 2 -7.802 -19.519 -0.411 1.00 0.00 C +ATOM 11 O SER A 2 -7.452 -19.050 0.672 1.00 0.00 O +ATOM 12 CB SER A 2 -6.680 -21.312 -1.747 1.00 0.00 C +ATOM 13 OG SER A 2 -6.062 -22.568 -1.527 1.00 0.00 O +ATOM 14 H SER A 2 -9.091 -22.099 -1.886 1.00 0.00 H +ATOM 15 HA SER A 2 -7.449 -21.521 0.240 1.00 0.00 H +ATOM 16 HB2 SER A 2 -7.153 -21.322 -2.717 1.00 0.00 H +ATOM 17 HB3 SER A 2 -5.922 -20.542 -1.723 1.00 0.00 H +ATOM 18 HG SER A 2 -5.532 -22.803 -2.292 1.00 0.00 H +ATOM 19 N SER A 3 -8.258 -18.770 -1.410 1.00 0.00 N +ATOM 20 CA SER A 3 -8.372 -17.322 -1.289 1.00 0.00 C +ATOM 21 C SER A 3 -9.801 -16.916 -0.940 1.00 0.00 C +ATOM 22 O SER A 3 -10.747 -17.665 -1.181 1.00 0.00 O +ATOM 23 CB SER A 3 -7.942 -16.645 -2.591 1.00 0.00 C +ATOM 24 OG SER A 3 -7.981 -15.233 -2.470 1.00 0.00 O +ATOM 25 H SER A 3 -8.522 -19.203 -2.249 1.00 0.00 H +ATOM 26 HA SER A 3 -7.716 -17.003 -0.493 1.00 0.00 H +ATOM 27 HB2 SER A 3 -6.934 -16.945 -2.834 1.00 0.00 H +ATOM 28 HB3 SER A 3 -8.608 -16.945 -3.387 1.00 0.00 H +ATOM 29 HG SER A 3 -8.834 -14.965 -2.121 1.00 0.00 H +ATOM 30 N GLY A 4 -9.950 -15.724 -0.371 1.00 0.00 N +ATOM 31 CA GLY A 4 -11.265 -15.239 0.003 1.00 0.00 C +ATOM 32 C GLY A 4 -11.781 -14.175 -0.946 1.00 0.00 C +ATOM 33 O GLY A 4 -12.739 -14.403 -1.684 1.00 0.00 O +ATOM 34 H GLY A 4 -9.159 -15.169 -0.203 1.00 0.00 H +ATOM 35 HA2 GLY A 4 -11.956 -16.069 0.006 1.00 0.00 H +ATOM 36 HA3 GLY A 4 -11.214 -14.822 0.998 1.00 0.00 H +ATOM 37 N SER A 5 -11.146 -13.007 -0.925 1.00 0.00 N +ATOM 38 CA SER A 5 -11.550 -11.902 -1.786 1.00 0.00 C +ATOM 39 C SER A 5 -10.415 -11.500 -2.723 1.00 0.00 C +ATOM 40 O SER A 5 -9.608 -10.629 -2.401 1.00 0.00 O +ATOM 41 CB SER A 5 -11.978 -10.700 -0.941 1.00 0.00 C +ATOM 42 OG SER A 5 -13.129 -11.002 -0.172 1.00 0.00 O +ATOM 43 H SER A 5 -10.389 -12.886 -0.314 1.00 0.00 H +ATOM 44 HA SER A 5 -12.390 -12.233 -2.378 1.00 0.00 H +ATOM 45 HB2 SER A 5 -11.175 -10.428 -0.273 1.00 0.00 H +ATOM 46 HB3 SER A 5 -12.203 -9.868 -1.592 1.00 0.00 H +ATOM 47 HG SER A 5 -12.862 -11.367 0.675 1.00 0.00 H +ATOM 48 N SER A 6 -10.361 -12.143 -3.886 1.00 0.00 N +ATOM 49 CA SER A 6 -9.324 -11.856 -4.870 1.00 0.00 C +ATOM 50 C SER A 6 -9.634 -10.569 -5.627 1.00 0.00 C +ATOM 51 O SER A 6 -10.184 -10.600 -6.727 1.00 0.00 O +ATOM 52 CB SER A 6 -9.189 -13.020 -5.853 1.00 0.00 C +ATOM 53 OG SER A 6 -8.409 -14.067 -5.301 1.00 0.00 O +ATOM 54 H SER A 6 -11.034 -12.827 -4.085 1.00 0.00 H +ATOM 55 HA SER A 6 -8.391 -11.733 -4.341 1.00 0.00 H +ATOM 56 HB2 SER A 6 -10.170 -13.405 -6.089 1.00 0.00 H +ATOM 57 HB3 SER A 6 -8.713 -12.671 -6.758 1.00 0.00 H +ATOM 58 HG SER A 6 -7.580 -13.710 -4.975 1.00 0.00 H +ATOM 59 N GLY A 7 -9.277 -9.437 -5.029 1.00 0.00 N +ATOM 60 CA GLY A 7 -9.524 -8.154 -5.660 1.00 0.00 C +ATOM 61 C GLY A 7 -8.251 -7.365 -5.890 1.00 0.00 C +ATOM 62 O GLY A 7 -7.879 -7.093 -7.031 1.00 0.00 O +ATOM 63 H GLY A 7 -8.841 -9.473 -4.152 1.00 0.00 H +ATOM 64 HA2 GLY A 7 -10.009 -8.320 -6.611 1.00 0.00 H +ATOM 65 HA3 GLY A 7 -10.183 -7.576 -5.028 1.00 0.00 H +ATOM 66 N GLU A 8 -7.581 -6.995 -4.803 1.00 0.00 N +ATOM 67 CA GLU A 8 -6.343 -6.231 -4.892 1.00 0.00 C +ATOM 68 C GLU A 8 -5.415 -6.559 -3.726 1.00 0.00 C +ATOM 69 O GLU A 8 -5.868 -6.945 -2.648 1.00 0.00 O +ATOM 70 CB GLU A 8 -6.644 -4.731 -4.912 1.00 0.00 C +ATOM 71 CG GLU A 8 -7.255 -4.216 -3.620 1.00 0.00 C +ATOM 72 CD GLU A 8 -8.708 -4.618 -3.461 1.00 0.00 C +ATOM 73 OE1 GLU A 8 -9.391 -4.792 -4.492 1.00 0.00 O +ATOM 74 OE2 GLU A 8 -9.163 -4.758 -2.306 1.00 0.00 O +ATOM 75 H GLU A 8 -7.928 -7.242 -3.920 1.00 0.00 H +ATOM 76 HA GLU A 8 -5.851 -6.502 -5.814 1.00 0.00 H +ATOM 77 HB2 GLU A 8 -5.724 -4.193 -5.091 1.00 0.00 H +ATOM 78 HB3 GLU A 8 -7.333 -4.525 -5.718 1.00 0.00 H +ATOM 79 HG2 GLU A 8 -6.695 -4.614 -2.787 1.00 0.00 H +ATOM 80 HG3 GLU A 8 -7.192 -3.137 -3.611 1.00 0.00 H +ATOM 81 N SER A 9 -4.114 -6.403 -3.950 1.00 0.00 N +ATOM 82 CA SER A 9 -3.121 -6.686 -2.920 1.00 0.00 C +ATOM 83 C SER A 9 -2.968 -5.501 -1.972 1.00 0.00 C +ATOM 84 O SER A 9 -3.691 -4.509 -2.077 1.00 0.00 O +ATOM 85 CB SER A 9 -1.772 -7.020 -3.560 1.00 0.00 C +ATOM 86 OG SER A 9 -1.780 -8.323 -4.116 1.00 0.00 O +ATOM 87 H SER A 9 -3.815 -6.091 -4.830 1.00 0.00 H +ATOM 88 HA SER A 9 -3.464 -7.541 -2.356 1.00 0.00 H +ATOM 89 HB2 SER A 9 -1.563 -6.308 -4.345 1.00 0.00 H +ATOM 90 HB3 SER A 9 -0.998 -6.965 -2.809 1.00 0.00 H +ATOM 91 HG SER A 9 -2.430 -8.862 -3.659 1.00 0.00 H +ATOM 92 N LEU A 10 -2.022 -5.610 -1.046 1.00 0.00 N +ATOM 93 CA LEU A 10 -1.772 -4.548 -0.078 1.00 0.00 C +ATOM 94 C LEU A 10 -0.296 -4.496 0.305 1.00 0.00 C +ATOM 95 O LEU A 10 0.287 -5.502 0.711 1.00 0.00 O +ATOM 96 CB LEU A 10 -2.628 -4.759 1.172 1.00 0.00 C +ATOM 97 CG LEU A 10 -4.141 -4.768 0.955 1.00 0.00 C +ATOM 98 CD1 LEU A 10 -4.855 -5.283 2.195 1.00 0.00 C +ATOM 99 CD2 LEU A 10 -4.637 -3.376 0.592 1.00 0.00 C +ATOM 100 H LEU A 10 -1.477 -6.424 -1.012 1.00 0.00 H +ATOM 101 HA LEU A 10 -2.045 -3.610 -0.538 1.00 0.00 H +ATOM 102 HB2 LEU A 10 -2.350 -5.707 1.606 1.00 0.00 H +ATOM 103 HB3 LEU A 10 -2.397 -3.964 1.867 1.00 0.00 H +ATOM 104 HG LEU A 10 -4.377 -5.432 0.135 1.00 0.00 H +ATOM 105 HD11 LEU A 10 -4.182 -5.247 3.039 1.00 0.00 H +ATOM 106 HD12 LEU A 10 -5.171 -6.303 2.031 1.00 0.00 H +ATOM 107 HD13 LEU A 10 -5.719 -4.666 2.396 1.00 0.00 H +ATOM 108 HD21 LEU A 10 -4.691 -3.282 -0.482 1.00 0.00 H +ATOM 109 HD22 LEU A 10 -3.952 -2.637 0.984 1.00 0.00 H +ATOM 110 HD23 LEU A 10 -5.617 -3.220 1.018 1.00 0.00 H +ATOM 111 N CYS A 11 0.303 -3.317 0.174 1.00 0.00 N +ATOM 112 CA CYS A 11 1.710 -3.133 0.508 1.00 0.00 C +ATOM 113 C CYS A 11 2.063 -3.863 1.800 1.00 0.00 C +ATOM 114 O CYS A 11 1.347 -3.791 2.799 1.00 0.00 O +ATOM 115 CB CYS A 11 2.032 -1.644 0.647 1.00 0.00 C +ATOM 116 SG CYS A 11 3.770 -1.223 0.300 1.00 0.00 S +ATOM 117 H CYS A 11 -0.214 -2.552 -0.155 1.00 0.00 H +ATOM 118 HA CYS A 11 2.299 -3.546 -0.297 1.00 0.00 H +ATOM 119 HB2 CYS A 11 1.415 -1.084 -0.042 1.00 0.00 H +ATOM 120 HB3 CYS A 11 1.811 -1.328 1.656 1.00 0.00 H +ATOM 121 N PRO A 12 3.194 -4.585 1.782 1.00 0.00 N +ATOM 122 CA PRO A 12 3.668 -5.342 2.944 1.00 0.00 C +ATOM 123 C PRO A 12 4.150 -4.434 4.070 1.00 0.00 C +ATOM 124 O PRO A 12 4.528 -4.907 5.142 1.00 0.00 O +ATOM 125 CB PRO A 12 4.833 -6.161 2.382 1.00 0.00 C +ATOM 126 CG PRO A 12 5.313 -5.380 1.208 1.00 0.00 C +ATOM 127 CD PRO A 12 4.096 -4.716 0.626 1.00 0.00 C +ATOM 128 HA PRO A 12 2.906 -6.009 3.322 1.00 0.00 H +ATOM 129 HB2 PRO A 12 5.603 -6.259 3.134 1.00 0.00 H +ATOM 130 HB3 PRO A 12 4.482 -7.139 2.089 1.00 0.00 H +ATOM 131 HG2 PRO A 12 6.028 -4.638 1.528 1.00 0.00 H +ATOM 132 HG3 PRO A 12 5.760 -6.045 0.483 1.00 0.00 H +ATOM 133 HD2 PRO A 12 4.351 -3.747 0.223 1.00 0.00 H +ATOM 134 HD3 PRO A 12 3.655 -5.340 -0.137 1.00 0.00 H +ATOM 135 N GLN A 13 4.133 -3.129 3.820 1.00 0.00 N +ATOM 136 CA GLN A 13 4.569 -2.155 4.814 1.00 0.00 C +ATOM 137 C GLN A 13 3.494 -1.100 5.051 1.00 0.00 C +ATOM 138 O GLN A 13 3.293 -0.645 6.177 1.00 0.00 O +ATOM 139 CB GLN A 13 5.869 -1.484 4.367 1.00 0.00 C +ATOM 140 CG GLN A 13 6.301 -0.335 5.263 1.00 0.00 C +ATOM 141 CD GLN A 13 7.130 -0.797 6.445 1.00 0.00 C +ATOM 142 OE1 GLN A 13 7.913 -1.742 6.337 1.00 0.00 O +ATOM 143 NE2 GLN A 13 6.964 -0.132 7.582 1.00 0.00 N +ATOM 144 H GLN A 13 3.821 -2.813 2.947 1.00 0.00 H +ATOM 145 HA GLN A 13 4.747 -2.683 5.739 1.00 0.00 H +ATOM 146 HB2 GLN A 13 6.657 -2.223 4.359 1.00 0.00 H +ATOM 147 HB3 GLN A 13 5.735 -1.101 3.366 1.00 0.00 H +ATOM 148 HG2 GLN A 13 6.888 0.358 4.680 1.00 0.00 H +ATOM 149 HG3 GLN A 13 5.419 0.165 5.635 1.00 0.00 H +ATOM 150 HE21 GLN A 13 6.322 0.609 7.594 1.00 0.00 H +ATOM 151 HE22 GLN A 13 7.487 -0.410 8.362 1.00 0.00 H +ATOM 152 N HIS A 14 2.805 -0.714 3.981 1.00 0.00 N +ATOM 153 CA HIS A 14 1.749 0.288 4.073 1.00 0.00 C +ATOM 154 C HIS A 14 0.374 -0.372 4.105 1.00 0.00 C +ATOM 155 O HIS A 14 -0.603 0.226 4.555 1.00 0.00 O +ATOM 156 CB HIS A 14 1.834 1.258 2.894 1.00 0.00 C +ATOM 157 CG HIS A 14 3.131 2.006 2.826 1.00 0.00 C +ATOM 158 ND1 HIS A 14 4.153 1.662 1.967 1.00 0.00 N +ATOM 159 CD2 HIS A 14 3.567 3.085 3.516 1.00 0.00 C +ATOM 160 CE1 HIS A 14 5.163 2.497 2.132 1.00 0.00 C +ATOM 161 NE2 HIS A 14 4.833 3.371 3.066 1.00 0.00 N +ATOM 162 H HIS A 14 3.011 -1.113 3.111 1.00 0.00 H +ATOM 163 HA HIS A 14 1.892 0.837 4.991 1.00 0.00 H +ATOM 164 HB2 HIS A 14 1.722 0.706 1.973 1.00 0.00 H +ATOM 165 HB3 HIS A 14 1.037 1.983 2.974 1.00 0.00 H +ATOM 166 HD2 HIS A 14 3.022 3.623 4.279 1.00 0.00 H +ATOM 167 HE1 HIS A 14 6.100 2.471 1.595 1.00 0.00 H +ATOM 168 HE2 HIS A 14 5.433 4.048 3.443 1.00 0.00 H +ATOM 169 N HIS A 15 0.306 -1.610 3.623 1.00 0.00 N +ATOM 170 CA HIS A 15 -0.950 -2.352 3.597 1.00 0.00 C +ATOM 171 C HIS A 15 -2.028 -1.569 2.853 1.00 0.00 C +ATOM 172 O HIS A 15 -3.187 -1.547 3.265 1.00 0.00 O +ATOM 173 CB HIS A 15 -1.416 -2.658 5.020 1.00 0.00 C +ATOM 174 CG HIS A 15 -0.900 -3.959 5.552 1.00 0.00 C +ATOM 175 ND1 HIS A 15 -0.677 -4.188 6.894 1.00 0.00 N +ATOM 176 CD2 HIS A 15 -0.564 -5.105 4.916 1.00 0.00 C +ATOM 177 CE1 HIS A 15 -0.225 -5.419 7.059 1.00 0.00 C +ATOM 178 NE2 HIS A 15 -0.148 -5.997 5.874 1.00 0.00 N +ATOM 179 H HIS A 15 1.119 -2.034 3.279 1.00 0.00 H +ATOM 180 HA HIS A 15 -0.775 -3.281 3.077 1.00 0.00 H +ATOM 181 HB2 HIS A 15 -1.077 -1.873 5.680 1.00 0.00 H +ATOM 182 HB3 HIS A 15 -2.496 -2.696 5.038 1.00 0.00 H +ATOM 183 HD1 HIS A 15 -0.827 -3.545 7.617 1.00 0.00 H +ATOM 184 HD2 HIS A 15 -0.614 -5.286 3.851 1.00 0.00 H +ATOM 185 HE1 HIS A 15 0.036 -5.875 8.002 1.00 0.00 H +ATOM 186 N GLU A 16 -1.636 -0.927 1.756 1.00 0.00 N +ATOM 187 CA GLU A 16 -2.569 -0.142 0.957 1.00 0.00 C +ATOM 188 C GLU A 16 -2.758 -0.761 -0.425 1.00 0.00 C +ATOM 189 O GLU A 16 -1.830 -1.342 -0.987 1.00 0.00 O +ATOM 190 CB GLU A 16 -2.071 1.298 0.819 1.00 0.00 C +ATOM 191 CG GLU A 16 -2.192 2.109 2.098 1.00 0.00 C +ATOM 192 CD GLU A 16 -3.581 2.686 2.294 1.00 0.00 C +ATOM 193 OE1 GLU A 16 -4.564 1.933 2.129 1.00 0.00 O +ATOM 194 OE2 GLU A 16 -3.685 3.889 2.611 1.00 0.00 O +ATOM 195 H GLU A 16 -0.698 -0.983 1.479 1.00 0.00 H +ATOM 196 HA GLU A 16 -3.520 -0.136 1.468 1.00 0.00 H +ATOM 197 HB2 GLU A 16 -1.032 1.280 0.525 1.00 0.00 H +ATOM 198 HB3 GLU A 16 -2.645 1.792 0.049 1.00 0.00 H +ATOM 199 HG2 GLU A 16 -1.964 1.470 2.938 1.00 0.00 H +ATOM 200 HG3 GLU A 16 -1.483 2.923 2.062 1.00 0.00 H +ATOM 201 N ALA A 17 -3.965 -0.633 -0.965 1.00 0.00 N +ATOM 202 CA ALA A 17 -4.275 -1.178 -2.281 1.00 0.00 C +ATOM 203 C ALA A 17 -3.154 -0.888 -3.273 1.00 0.00 C +ATOM 204 O ALA A 17 -2.920 0.264 -3.642 1.00 0.00 O +ATOM 205 CB ALA A 17 -5.593 -0.613 -2.789 1.00 0.00 C +ATOM 206 H ALA A 17 -4.663 -0.159 -0.467 1.00 0.00 H +ATOM 207 HA ALA A 17 -4.386 -2.249 -2.181 1.00 0.00 H +ATOM 208 HB1 ALA A 17 -5.580 0.464 -2.699 1.00 0.00 H +ATOM 209 HB2 ALA A 17 -5.726 -0.886 -3.825 1.00 0.00 H +ATOM 210 HB3 ALA A 17 -6.406 -1.013 -2.203 1.00 0.00 H +ATOM 211 N LEU A 18 -2.464 -1.939 -3.702 1.00 0.00 N +ATOM 212 CA LEU A 18 -1.366 -1.796 -4.653 1.00 0.00 C +ATOM 213 C LEU A 18 -1.895 -1.621 -6.073 1.00 0.00 C +ATOM 214 O LEU A 18 -2.440 -2.553 -6.663 1.00 0.00 O +ATOM 215 CB LEU A 18 -0.446 -3.017 -4.586 1.00 0.00 C +ATOM 216 CG LEU A 18 0.115 -3.359 -3.206 1.00 0.00 C +ATOM 217 CD1 LEU A 18 0.862 -4.684 -3.246 1.00 0.00 C +ATOM 218 CD2 LEU A 18 1.027 -2.246 -2.709 1.00 0.00 C +ATOM 219 H LEU A 18 -2.697 -2.831 -3.373 1.00 0.00 H +ATOM 220 HA LEU A 18 -0.803 -0.916 -4.379 1.00 0.00 H +ATOM 221 HB2 LEU A 18 -1.005 -3.871 -4.937 1.00 0.00 H +ATOM 222 HB3 LEU A 18 0.388 -2.837 -5.249 1.00 0.00 H +ATOM 223 HG LEU A 18 -0.703 -3.459 -2.506 1.00 0.00 H +ATOM 224 HD11 LEU A 18 0.212 -5.451 -3.638 1.00 0.00 H +ATOM 225 HD12 LEU A 18 1.174 -4.952 -2.248 1.00 0.00 H +ATOM 226 HD13 LEU A 18 1.730 -4.588 -3.881 1.00 0.00 H +ATOM 227 HD21 LEU A 18 2.025 -2.635 -2.570 1.00 0.00 H +ATOM 228 HD22 LEU A 18 0.653 -1.867 -1.769 1.00 0.00 H +ATOM 229 HD23 LEU A 18 1.049 -1.448 -3.437 1.00 0.00 H +ATOM 230 N SER A 19 -1.727 -0.419 -6.617 1.00 0.00 N +ATOM 231 CA SER A 19 -2.189 -0.121 -7.967 1.00 0.00 C +ATOM 232 C SER A 19 -1.042 0.396 -8.831 1.00 0.00 C +ATOM 233 O SER A 19 -1.111 0.361 -10.060 1.00 0.00 O +ATOM 234 CB SER A 19 -3.318 0.911 -7.927 1.00 0.00 C +ATOM 235 OG SER A 19 -3.619 1.388 -9.227 1.00 0.00 O +ATOM 236 H SER A 19 -1.285 0.283 -6.096 1.00 0.00 H +ATOM 237 HA SER A 19 -2.565 -1.036 -8.399 1.00 0.00 H +ATOM 238 HB2 SER A 19 -4.203 0.457 -7.509 1.00 0.00 H +ATOM 239 HB3 SER A 19 -3.016 1.746 -7.310 1.00 0.00 H +ATOM 240 HG SER A 19 -4.560 1.567 -9.292 1.00 0.00 H +ATOM 241 N LEU A 20 0.011 0.876 -8.179 1.00 0.00 N +ATOM 242 CA LEU A 20 1.174 1.401 -8.887 1.00 0.00 C +ATOM 243 C LEU A 20 2.291 0.363 -8.944 1.00 0.00 C +ATOM 244 O LEU A 20 2.223 -0.674 -8.284 1.00 0.00 O +ATOM 245 CB LEU A 20 1.679 2.673 -8.204 1.00 0.00 C +ATOM 246 CG LEU A 20 0.795 3.912 -8.354 1.00 0.00 C +ATOM 247 CD1 LEU A 20 1.177 4.968 -7.329 1.00 0.00 C +ATOM 248 CD2 LEU A 20 0.899 4.473 -9.764 1.00 0.00 C +ATOM 249 H LEU A 20 0.008 0.878 -7.200 1.00 0.00 H +ATOM 250 HA LEU A 20 0.869 1.640 -9.894 1.00 0.00 H +ATOM 251 HB2 LEU A 20 1.780 2.465 -7.150 1.00 0.00 H +ATOM 252 HB3 LEU A 20 2.650 2.906 -8.617 1.00 0.00 H +ATOM 253 HG LEU A 20 -0.235 3.634 -8.178 1.00 0.00 H +ATOM 254 HD11 LEU A 20 1.830 4.531 -6.588 1.00 0.00 H +ATOM 255 HD12 LEU A 20 0.286 5.342 -6.848 1.00 0.00 H +ATOM 256 HD13 LEU A 20 1.687 5.782 -7.823 1.00 0.00 H +ATOM 257 HD21 LEU A 20 0.157 4.004 -10.394 1.00 0.00 H +ATOM 258 HD22 LEU A 20 1.884 4.273 -10.160 1.00 0.00 H +ATOM 259 HD23 LEU A 20 0.729 5.539 -9.741 1.00 0.00 H +ATOM 260 N PHE A 21 3.319 0.651 -9.735 1.00 0.00 N +ATOM 261 CA PHE A 21 4.451 -0.256 -9.878 1.00 0.00 C +ATOM 262 C PHE A 21 5.700 0.498 -10.324 1.00 0.00 C +ATOM 263 O PHE A 21 5.696 1.174 -11.354 1.00 0.00 O +ATOM 264 CB PHE A 21 4.123 -1.362 -10.884 1.00 0.00 C +ATOM 265 CG PHE A 21 5.315 -2.185 -11.280 1.00 0.00 C +ATOM 266 CD1 PHE A 21 6.176 -1.748 -12.272 1.00 0.00 C +ATOM 267 CD2 PHE A 21 5.573 -3.397 -10.659 1.00 0.00 C +ATOM 268 CE1 PHE A 21 7.273 -2.504 -12.639 1.00 0.00 C +ATOM 269 CE2 PHE A 21 6.669 -4.157 -11.022 1.00 0.00 C +ATOM 270 CZ PHE A 21 7.521 -3.709 -12.013 1.00 0.00 C +ATOM 271 H PHE A 21 3.315 1.494 -10.236 1.00 0.00 H +ATOM 272 HA PHE A 21 4.640 -0.703 -8.914 1.00 0.00 H +ATOM 273 HB2 PHE A 21 3.390 -2.026 -10.451 1.00 0.00 H +ATOM 274 HB3 PHE A 21 3.714 -0.915 -11.777 1.00 0.00 H +ATOM 275 HD1 PHE A 21 5.985 -0.804 -12.763 1.00 0.00 H +ATOM 276 HD2 PHE A 21 4.907 -3.748 -9.883 1.00 0.00 H +ATOM 277 HE1 PHE A 21 7.938 -2.151 -13.414 1.00 0.00 H +ATOM 278 HE2 PHE A 21 6.859 -5.099 -10.529 1.00 0.00 H +ATOM 279 HZ PHE A 21 8.377 -4.302 -12.298 1.00 0.00 H +ATOM 280 N CYS A 22 6.768 0.378 -9.543 1.00 0.00 N +ATOM 281 CA CYS A 22 8.024 1.049 -9.855 1.00 0.00 C +ATOM 282 C CYS A 22 8.714 0.385 -11.043 1.00 0.00 C +ATOM 283 O CYS A 22 8.597 -0.824 -11.247 1.00 0.00 O +ATOM 284 CB CYS A 22 8.951 1.032 -8.638 1.00 0.00 C +ATOM 285 SG CYS A 22 10.343 2.202 -8.748 1.00 0.00 S +ATOM 286 H CYS A 22 6.709 -0.175 -8.735 1.00 0.00 H +ATOM 287 HA CYS A 22 7.799 2.073 -10.111 1.00 0.00 H +ATOM 288 HB2 CYS A 22 8.380 1.285 -7.756 1.00 0.00 H +ATOM 289 HB3 CYS A 22 9.362 0.040 -8.522 1.00 0.00 H +ATOM 290 N TYR A 23 9.433 1.183 -11.824 1.00 0.00 N +ATOM 291 CA TYR A 23 10.140 0.675 -12.993 1.00 0.00 C +ATOM 292 C TYR A 23 11.544 0.208 -12.620 1.00 0.00 C +ATOM 293 O TYR A 23 11.889 -0.960 -12.798 1.00 0.00 O +ATOM 294 CB TYR A 23 10.220 1.752 -14.076 1.00 0.00 C +ATOM 295 CG TYR A 23 10.390 1.196 -15.472 1.00 0.00 C +ATOM 296 CD1 TYR A 23 9.294 0.753 -16.202 1.00 0.00 C +ATOM 297 CD2 TYR A 23 11.646 1.113 -16.060 1.00 0.00 C +ATOM 298 CE1 TYR A 23 9.445 0.244 -17.478 1.00 0.00 C +ATOM 299 CE2 TYR A 23 11.806 0.607 -17.335 1.00 0.00 C +ATOM 300 CZ TYR A 23 10.703 0.173 -18.040 1.00 0.00 C +ATOM 301 OH TYR A 23 10.858 -0.333 -19.310 1.00 0.00 O +ATOM 302 H TYR A 23 9.488 2.138 -11.610 1.00 0.00 H +ATOM 303 HA TYR A 23 9.583 -0.167 -13.377 1.00 0.00 H +ATOM 304 HB2 TYR A 23 9.313 2.336 -14.061 1.00 0.00 H +ATOM 305 HB3 TYR A 23 11.061 2.398 -13.871 1.00 0.00 H +ATOM 306 HD1 TYR A 23 8.311 0.809 -15.759 1.00 0.00 H +ATOM 307 HD2 TYR A 23 12.508 1.454 -15.504 1.00 0.00 H +ATOM 308 HE1 TYR A 23 8.581 -0.096 -18.030 1.00 0.00 H +ATOM 309 HE2 TYR A 23 12.791 0.551 -17.775 1.00 0.00 H +ATOM 310 HH TYR A 23 10.217 -1.033 -19.456 1.00 0.00 H +ATOM 311 N GLU A 24 12.349 1.130 -12.101 1.00 0.00 N +ATOM 312 CA GLU A 24 13.715 0.814 -11.702 1.00 0.00 C +ATOM 313 C GLU A 24 13.751 -0.433 -10.823 1.00 0.00 C +ATOM 314 O GLU A 24 14.323 -1.456 -11.200 1.00 0.00 O +ATOM 315 CB GLU A 24 14.340 1.995 -10.957 1.00 0.00 C +ATOM 316 CG GLU A 24 15.857 2.027 -11.029 1.00 0.00 C +ATOM 317 CD GLU A 24 16.367 2.721 -12.277 1.00 0.00 C +ATOM 318 OE1 GLU A 24 16.010 3.898 -12.490 1.00 0.00 O +ATOM 319 OE2 GLU A 24 17.125 2.086 -13.040 1.00 0.00 O +ATOM 320 H GLU A 24 12.016 2.044 -11.983 1.00 0.00 H +ATOM 321 HA GLU A 24 14.286 0.623 -12.599 1.00 0.00 H +ATOM 322 HB2 GLU A 24 13.960 2.913 -11.380 1.00 0.00 H +ATOM 323 HB3 GLU A 24 14.051 1.942 -9.918 1.00 0.00 H +ATOM 324 HG2 GLU A 24 16.235 2.552 -10.164 1.00 0.00 H +ATOM 325 HG3 GLU A 24 16.226 1.012 -11.022 1.00 0.00 H +ATOM 326 N ASP A 25 13.137 -0.339 -9.649 1.00 0.00 N +ATOM 327 CA ASP A 25 13.097 -1.458 -8.715 1.00 0.00 C +ATOM 328 C ASP A 25 12.443 -2.678 -9.356 1.00 0.00 C +ATOM 329 O ASP A 25 12.721 -3.815 -8.975 1.00 0.00 O +ATOM 330 CB ASP A 25 12.338 -1.065 -7.447 1.00 0.00 C +ATOM 331 CG ASP A 25 12.909 0.177 -6.792 1.00 0.00 C +ATOM 332 OD1 ASP A 25 12.936 1.237 -7.452 1.00 0.00 O +ATOM 333 OD2 ASP A 25 13.327 0.090 -5.619 1.00 0.00 O +ATOM 334 H ASP A 25 12.699 0.503 -9.405 1.00 0.00 H +ATOM 335 HA ASP A 25 14.114 -1.707 -8.452 1.00 0.00 H +ATOM 336 HB2 ASP A 25 11.304 -0.874 -7.698 1.00 0.00 H +ATOM 337 HB3 ASP A 25 12.387 -1.879 -6.739 1.00 0.00 H +ATOM 338 N GLN A 26 11.573 -2.433 -10.331 1.00 0.00 N +ATOM 339 CA GLN A 26 10.879 -3.512 -11.024 1.00 0.00 C +ATOM 340 C GLN A 26 9.983 -4.288 -10.064 1.00 0.00 C +ATOM 341 O GLN A 26 9.944 -5.517 -10.093 1.00 0.00 O +ATOM 342 CB GLN A 26 11.887 -4.460 -11.677 1.00 0.00 C +ATOM 343 CG GLN A 26 11.319 -5.237 -12.853 1.00 0.00 C +ATOM 344 CD GLN A 26 11.499 -4.512 -14.173 1.00 0.00 C +ATOM 345 OE1 GLN A 26 12.337 -4.890 -14.992 1.00 0.00 O +ATOM 346 NE2 GLN A 26 10.712 -3.464 -14.386 1.00 0.00 N +ATOM 347 H GLN A 26 11.394 -1.506 -10.590 1.00 0.00 H +ATOM 348 HA GLN A 26 10.264 -3.071 -11.793 1.00 0.00 H +ATOM 349 HB2 GLN A 26 12.731 -3.883 -12.027 1.00 0.00 H +ATOM 350 HB3 GLN A 26 12.229 -5.168 -10.937 1.00 0.00 H +ATOM 351 HG2 GLN A 26 11.820 -6.191 -12.913 1.00 0.00 H +ATOM 352 HG3 GLN A 26 10.263 -5.395 -12.687 1.00 0.00 H +ATOM 353 HE21 GLN A 26 10.068 -3.220 -13.687 1.00 0.00 H +ATOM 354 HE22 GLN A 26 10.808 -2.977 -15.229 1.00 0.00 H +ATOM 355 N GLU A 27 9.265 -3.560 -9.214 1.00 0.00 N +ATOM 356 CA GLU A 27 8.371 -4.181 -8.244 1.00 0.00 C +ATOM 357 C GLU A 27 7.094 -3.361 -8.078 1.00 0.00 C +ATOM 358 O GLU A 27 6.982 -2.255 -8.606 1.00 0.00 O +ATOM 359 CB GLU A 27 9.072 -4.331 -6.893 1.00 0.00 C +ATOM 360 CG GLU A 27 10.241 -5.302 -6.918 1.00 0.00 C +ATOM 361 CD GLU A 27 9.811 -6.725 -7.220 1.00 0.00 C +ATOM 362 OE1 GLU A 27 8.714 -7.121 -6.773 1.00 0.00 O +ATOM 363 OE2 GLU A 27 10.572 -7.442 -7.902 1.00 0.00 O +ATOM 364 H GLU A 27 9.340 -2.583 -9.239 1.00 0.00 H +ATOM 365 HA GLU A 27 8.109 -5.161 -8.614 1.00 0.00 H +ATOM 366 HB2 GLU A 27 9.441 -3.365 -6.582 1.00 0.00 H +ATOM 367 HB3 GLU A 27 8.355 -4.683 -6.166 1.00 0.00 H +ATOM 368 HG2 GLU A 27 10.939 -4.986 -7.678 1.00 0.00 H +ATOM 369 HG3 GLU A 27 10.728 -5.286 -5.954 1.00 0.00 H +ATOM 370 N ALA A 28 6.135 -3.912 -7.341 1.00 0.00 N +ATOM 371 CA ALA A 28 4.868 -3.233 -7.104 1.00 0.00 C +ATOM 372 C ALA A 28 4.957 -2.311 -5.893 1.00 0.00 C +ATOM 373 O ALA A 28 5.674 -2.598 -4.933 1.00 0.00 O +ATOM 374 CB ALA A 28 3.751 -4.249 -6.916 1.00 0.00 C +ATOM 375 H ALA A 28 6.285 -4.797 -6.947 1.00 0.00 H +ATOM 376 HA ALA A 28 4.639 -2.640 -7.978 1.00 0.00 H +ATOM 377 HB1 ALA A 28 3.347 -4.158 -5.918 1.00 0.00 H +ATOM 378 HB2 ALA A 28 2.971 -4.064 -7.639 1.00 0.00 H +ATOM 379 HB3 ALA A 28 4.144 -5.245 -7.056 1.00 0.00 H +ATOM 380 N VAL A 29 4.226 -1.203 -5.943 1.00 0.00 N +ATOM 381 CA VAL A 29 4.222 -0.239 -4.849 1.00 0.00 C +ATOM 382 C VAL A 29 2.813 0.272 -4.571 1.00 0.00 C +ATOM 383 O VAL A 29 1.852 -0.140 -5.221 1.00 0.00 O +ATOM 384 CB VAL A 29 5.141 0.960 -5.153 1.00 0.00 C +ATOM 385 CG1 VAL A 29 6.577 0.497 -5.347 1.00 0.00 C +ATOM 386 CG2 VAL A 29 4.645 1.712 -6.378 1.00 0.00 C +ATOM 387 H VAL A 29 3.675 -1.029 -6.734 1.00 0.00 H +ATOM 388 HA VAL A 29 4.595 -0.736 -3.965 1.00 0.00 H +ATOM 389 HB VAL A 29 5.113 1.632 -4.308 1.00 0.00 H +ATOM 390 HG11 VAL A 29 7.202 0.938 -4.585 1.00 0.00 H +ATOM 391 HG12 VAL A 29 6.621 -0.580 -5.273 1.00 0.00 H +ATOM 392 HG13 VAL A 29 6.926 0.805 -6.321 1.00 0.00 H +ATOM 393 HG21 VAL A 29 4.051 2.558 -6.065 1.00 0.00 H +ATOM 394 HG22 VAL A 29 5.490 2.060 -6.955 1.00 0.00 H +ATOM 395 HG23 VAL A 29 4.042 1.054 -6.986 1.00 0.00 H +ATOM 396 N CYS A 30 2.697 1.173 -3.601 1.00 0.00 N +ATOM 397 CA CYS A 30 1.405 1.742 -3.236 1.00 0.00 C +ATOM 398 C CYS A 30 1.434 3.265 -3.335 1.00 0.00 C +ATOM 399 O CYS A 30 2.470 3.859 -3.637 1.00 0.00 O +ATOM 400 CB CYS A 30 1.021 1.319 -1.817 1.00 0.00 C +ATOM 401 SG CYS A 30 1.991 2.135 -0.509 1.00 0.00 S +ATOM 402 H CYS A 30 3.500 1.463 -3.119 1.00 0.00 H +ATOM 403 HA CYS A 30 0.668 1.363 -3.928 1.00 0.00 H +ATOM 404 HB2 CYS A 30 -0.020 1.555 -1.649 1.00 0.00 H +ATOM 405 HB3 CYS A 30 1.163 0.253 -1.717 1.00 0.00 H +ATOM 406 N LEU A 31 0.291 3.890 -3.077 1.00 0.00 N +ATOM 407 CA LEU A 31 0.184 5.344 -3.136 1.00 0.00 C +ATOM 408 C LEU A 31 1.282 6.005 -2.308 1.00 0.00 C +ATOM 409 O LEU A 31 1.938 6.942 -2.764 1.00 0.00 O +ATOM 410 CB LEU A 31 -1.189 5.795 -2.634 1.00 0.00 C +ATOM 411 CG LEU A 31 -2.348 4.832 -2.893 1.00 0.00 C +ATOM 412 CD1 LEU A 31 -2.499 3.855 -1.737 1.00 0.00 C +ATOM 413 CD2 LEU A 31 -3.641 5.601 -3.117 1.00 0.00 C +ATOM 414 H LEU A 31 -0.500 3.364 -2.842 1.00 0.00 H +ATOM 415 HA LEU A 31 0.298 5.643 -4.167 1.00 0.00 H +ATOM 416 HB2 LEU A 31 -1.118 5.947 -1.568 1.00 0.00 H +ATOM 417 HB3 LEU A 31 -1.424 6.734 -3.115 1.00 0.00 H +ATOM 418 HG LEU A 31 -2.139 4.260 -3.787 1.00 0.00 H +ATOM 419 HD11 LEU A 31 -2.218 2.865 -2.063 1.00 0.00 H +ATOM 420 HD12 LEU A 31 -3.527 3.847 -1.405 1.00 0.00 H +ATOM 421 HD13 LEU A 31 -1.860 4.162 -0.922 1.00 0.00 H +ATOM 422 HD21 LEU A 31 -3.415 6.644 -3.284 1.00 0.00 H +ATOM 423 HD22 LEU A 31 -4.272 5.506 -2.245 1.00 0.00 H +ATOM 424 HD23 LEU A 31 -4.154 5.201 -3.978 1.00 0.00 H +ATOM 425 N ILE A 32 1.478 5.509 -1.091 1.00 0.00 N +ATOM 426 CA ILE A 32 2.499 6.048 -0.202 1.00 0.00 C +ATOM 427 C ILE A 32 3.885 5.944 -0.829 1.00 0.00 C +ATOM 428 O ILE A 32 4.515 6.955 -1.142 1.00 0.00 O +ATOM 429 CB ILE A 32 2.506 5.320 1.155 1.00 0.00 C +ATOM 430 CG1 ILE A 32 1.082 4.930 1.556 1.00 0.00 C +ATOM 431 CG2 ILE A 32 3.142 6.197 2.223 1.00 0.00 C +ATOM 432 CD1 ILE A 32 0.054 5.995 1.246 1.00 0.00 C +ATOM 433 H ILE A 32 0.924 4.761 -0.784 1.00 0.00 H +ATOM 434 HA ILE A 32 2.272 7.090 -0.028 1.00 0.00 H +ATOM 435 HB ILE A 32 3.103 4.426 1.056 1.00 0.00 H +ATOM 436 HG12 ILE A 32 0.800 4.033 1.029 1.00 0.00 H +ATOM 437 HG13 ILE A 32 1.055 4.741 2.620 1.00 0.00 H +ATOM 438 HG21 ILE A 32 3.734 5.584 2.887 1.00 0.00 H +ATOM 439 HG22 ILE A 32 3.777 6.934 1.754 1.00 0.00 H +ATOM 440 HG23 ILE A 32 2.368 6.696 2.788 1.00 0.00 H +ATOM 441 HD11 ILE A 32 0.545 6.951 1.142 1.00 0.00 H +ATOM 442 HD12 ILE A 32 -0.455 5.748 0.327 1.00 0.00 H +ATOM 443 HD13 ILE A 32 -0.665 6.046 2.052 1.00 0.00 H +ATOM 444 N CYS A 33 4.355 4.715 -1.012 1.00 0.00 N +ATOM 445 CA CYS A 33 5.666 4.477 -1.604 1.00 0.00 C +ATOM 446 C CYS A 33 5.960 5.493 -2.704 1.00 0.00 C +ATOM 447 O CYS A 33 6.988 6.168 -2.680 1.00 0.00 O +ATOM 448 CB CYS A 33 5.743 3.058 -2.172 1.00 0.00 C +ATOM 449 SG CYS A 33 5.871 1.756 -0.904 1.00 0.00 S +ATOM 450 H CYS A 33 3.806 3.948 -0.743 1.00 0.00 H +ATOM 451 HA CYS A 33 6.406 4.584 -0.825 1.00 0.00 H +ATOM 452 HB2 CYS A 33 4.853 2.863 -2.753 1.00 0.00 H +ATOM 453 HB3 CYS A 33 6.609 2.981 -2.812 1.00 0.00 H +ATOM 454 N ALA A 34 5.048 5.595 -3.665 1.00 0.00 N +ATOM 455 CA ALA A 34 5.207 6.530 -4.772 1.00 0.00 C +ATOM 456 C ALA A 34 5.762 7.866 -4.288 1.00 0.00 C +ATOM 457 O ALA A 34 6.705 8.404 -4.868 1.00 0.00 O +ATOM 458 CB ALA A 34 3.879 6.736 -5.485 1.00 0.00 C +ATOM 459 H ALA A 34 4.249 5.030 -3.629 1.00 0.00 H +ATOM 460 HA ALA A 34 5.903 6.098 -5.477 1.00 0.00 H +ATOM 461 HB1 ALA A 34 3.596 7.777 -5.425 1.00 0.00 H +ATOM 462 HB2 ALA A 34 3.978 6.448 -6.521 1.00 0.00 H +ATOM 463 HB3 ALA A 34 3.120 6.129 -5.014 1.00 0.00 H +ATOM 464 N ILE A 35 5.170 8.395 -3.222 1.00 0.00 N +ATOM 465 CA ILE A 35 5.606 9.667 -2.660 1.00 0.00 C +ATOM 466 C ILE A 35 6.428 9.456 -1.394 1.00 0.00 C +ATOM 467 O ILE A 35 6.282 10.191 -0.417 1.00 0.00 O +ATOM 468 CB ILE A 35 4.407 10.579 -2.335 1.00 0.00 C +ATOM 469 CG1 ILE A 35 3.506 9.920 -1.289 1.00 0.00 C +ATOM 470 CG2 ILE A 35 3.621 10.891 -3.599 1.00 0.00 C +ATOM 471 CD1 ILE A 35 2.346 10.789 -0.857 1.00 0.00 C +ATOM 472 H ILE A 35 4.423 7.918 -2.804 1.00 0.00 H +ATOM 473 HA ILE A 35 6.220 10.164 -3.397 1.00 0.00 H +ATOM 474 HB ILE A 35 4.788 11.508 -1.938 1.00 0.00 H +ATOM 475 HG12 ILE A 35 3.102 9.006 -1.696 1.00 0.00 H +ATOM 476 HG13 ILE A 35 4.094 9.690 -0.412 1.00 0.00 H +ATOM 477 HG21 ILE A 35 4.121 10.454 -4.451 1.00 0.00 H +ATOM 478 HG22 ILE A 35 2.627 10.477 -3.516 1.00 0.00 H +ATOM 479 HG23 ILE A 35 3.556 11.961 -3.729 1.00 0.00 H +ATOM 480 HD11 ILE A 35 1.422 10.360 -1.216 1.00 0.00 H +ATOM 481 HD12 ILE A 35 2.322 10.849 0.220 1.00 0.00 H +ATOM 482 HD13 ILE A 35 2.466 11.780 -1.270 1.00 0.00 H +ATOM 483 N SER A 36 7.293 8.448 -1.418 1.00 0.00 N +ATOM 484 CA SER A 36 8.138 8.138 -0.270 1.00 0.00 C +ATOM 485 C SER A 36 9.614 8.295 -0.624 1.00 0.00 C +ATOM 486 O SER A 36 9.982 8.332 -1.799 1.00 0.00 O +ATOM 487 CB SER A 36 7.869 6.713 0.219 1.00 0.00 C +ATOM 488 OG SER A 36 8.411 6.507 1.511 1.00 0.00 O +ATOM 489 H SER A 36 7.363 7.897 -2.226 1.00 0.00 H +ATOM 490 HA SER A 36 7.893 8.833 0.519 1.00 0.00 H +ATOM 491 HB2 SER A 36 6.803 6.545 0.258 1.00 0.00 H +ATOM 492 HB3 SER A 36 8.320 6.010 -0.466 1.00 0.00 H +ATOM 493 HG SER A 36 8.329 5.580 1.749 1.00 0.00 H +ATOM 494 N HIS A 37 10.455 8.389 0.401 1.00 0.00 N +ATOM 495 CA HIS A 37 11.892 8.542 0.199 1.00 0.00 C +ATOM 496 C HIS A 37 12.452 7.383 -0.620 1.00 0.00 C +ATOM 497 O HIS A 37 13.346 7.568 -1.447 1.00 0.00 O +ATOM 498 CB HIS A 37 12.611 8.624 1.546 1.00 0.00 C +ATOM 499 CG HIS A 37 12.671 7.317 2.274 1.00 0.00 C +ATOM 500 ND1 HIS A 37 11.708 6.911 3.174 1.00 0.00 N +ATOM 501 CD2 HIS A 37 13.586 6.320 2.230 1.00 0.00 C +ATOM 502 CE1 HIS A 37 12.029 5.723 3.653 1.00 0.00 C +ATOM 503 NE2 HIS A 37 13.165 5.342 3.096 1.00 0.00 N +ATOM 504 H HIS A 37 10.101 8.353 1.314 1.00 0.00 H +ATOM 505 HA HIS A 37 12.054 9.461 -0.343 1.00 0.00 H +ATOM 506 HB2 HIS A 37 13.624 8.961 1.385 1.00 0.00 H +ATOM 507 HB3 HIS A 37 12.097 9.334 2.179 1.00 0.00 H +ATOM 508 HD1 HIS A 37 10.910 7.420 3.425 1.00 0.00 H +ATOM 509 HD2 HIS A 37 14.483 6.298 1.626 1.00 0.00 H +ATOM 510 HE1 HIS A 37 11.461 5.158 4.376 1.00 0.00 H +ATOM 511 N THR A 38 11.922 6.187 -0.384 1.00 0.00 N +ATOM 512 CA THR A 38 12.370 4.998 -1.098 1.00 0.00 C +ATOM 513 C THR A 38 12.245 5.182 -2.606 1.00 0.00 C +ATOM 514 O THR A 38 13.241 5.159 -3.329 1.00 0.00 O +ATOM 515 CB THR A 38 11.566 3.753 -0.676 1.00 0.00 C +ATOM 516 OG1 THR A 38 11.558 3.636 0.751 1.00 0.00 O +ATOM 517 CG2 THR A 38 12.159 2.493 -1.289 1.00 0.00 C +ATOM 518 H THR A 38 11.213 6.103 0.287 1.00 0.00 H +ATOM 519 HA THR A 38 13.408 4.831 -0.850 1.00 0.00 H +ATOM 520 HB THR A 38 10.550 3.863 -1.027 1.00 0.00 H +ATOM 521 HG1 THR A 38 10.685 3.363 1.045 1.00 0.00 H +ATOM 522 HG21 THR A 38 11.685 2.299 -2.240 1.00 0.00 H +ATOM 523 HG22 THR A 38 11.992 1.657 -0.626 1.00 0.00 H +ATOM 524 HG23 THR A 38 13.219 2.630 -1.437 1.00 0.00 H +ATOM 525 N HIS A 39 11.015 5.366 -3.075 1.00 0.00 N +ATOM 526 CA HIS A 39 10.760 5.556 -4.499 1.00 0.00 C +ATOM 527 C HIS A 39 10.314 6.986 -4.784 1.00 0.00 C +ATOM 528 O HIS A 39 9.369 7.213 -5.541 1.00 0.00 O +ATOM 529 CB HIS A 39 9.696 4.571 -4.984 1.00 0.00 C +ATOM 530 CG HIS A 39 9.939 3.161 -4.541 1.00 0.00 C +ATOM 531 ND1 HIS A 39 10.678 2.258 -5.275 1.00 0.00 N +ATOM 532 CD2 HIS A 39 9.536 2.500 -3.430 1.00 0.00 C +ATOM 533 CE1 HIS A 39 10.719 1.102 -4.636 1.00 0.00 C +ATOM 534 NE2 HIS A 39 10.034 1.223 -3.513 1.00 0.00 N +ATOM 535 H HIS A 39 10.261 5.374 -2.449 1.00 0.00 H +ATOM 536 HA HIS A 39 11.681 5.367 -5.028 1.00 0.00 H +ATOM 537 HB2 HIS A 39 8.732 4.876 -4.603 1.00 0.00 H +ATOM 538 HB3 HIS A 39 9.671 4.580 -6.064 1.00 0.00 H +ATOM 539 HD2 HIS A 39 8.935 2.902 -2.627 1.00 0.00 H +ATOM 540 HE1 HIS A 39 11.226 0.211 -4.974 1.00 0.00 H +ATOM 541 HE2 HIS A 39 9.833 0.491 -2.894 1.00 0.00 H +ATOM 542 N ARG A 40 10.998 7.948 -4.174 1.00 0.00 N +ATOM 543 CA ARG A 40 10.671 9.356 -4.362 1.00 0.00 C +ATOM 544 C ARG A 40 10.978 9.801 -5.789 1.00 0.00 C +ATOM 545 O ARG A 40 10.091 10.246 -6.516 1.00 0.00 O +ATOM 546 CB ARG A 40 11.451 10.220 -3.368 1.00 0.00 C +ATOM 547 CG ARG A 40 10.728 11.498 -2.974 1.00 0.00 C +ATOM 548 CD ARG A 40 10.734 12.512 -4.107 1.00 0.00 C +ATOM 549 NE ARG A 40 12.057 13.095 -4.314 1.00 0.00 N +ATOM 550 CZ ARG A 40 12.257 14.283 -4.875 1.00 0.00 C +ATOM 551 NH1 ARG A 40 11.226 15.009 -5.283 1.00 0.00 N +ATOM 552 NH2 ARG A 40 13.491 14.746 -5.028 1.00 0.00 N +ATOM 553 H ARG A 40 11.741 7.705 -3.583 1.00 0.00 H +ATOM 554 HA ARG A 40 9.614 9.478 -4.179 1.00 0.00 H +ATOM 555 HB2 ARG A 40 11.631 9.644 -2.472 1.00 0.00 H +ATOM 556 HB3 ARG A 40 12.398 10.489 -3.810 1.00 0.00 H +ATOM 557 HG2 ARG A 40 9.705 11.260 -2.724 1.00 0.00 H +ATOM 558 HG3 ARG A 40 11.220 11.928 -2.115 1.00 0.00 H +ATOM 559 HD2 ARG A 40 10.423 12.019 -5.016 1.00 0.00 H +ATOM 560 HD3 ARG A 40 10.036 13.301 -3.869 1.00 0.00 H +ATOM 561 HE ARG A 40 12.833 12.575 -4.019 1.00 0.00 H +ATOM 562 HH11 ARG A 40 10.295 14.663 -5.168 1.00 0.00 H +ATOM 563 HH12 ARG A 40 11.379 15.903 -5.704 1.00 0.00 H +ATOM 564 HH21 ARG A 40 14.271 14.201 -4.721 1.00 0.00 H +ATOM 565 HH22 ARG A 40 13.641 15.639 -5.451 1.00 0.00 H +ATOM 566 N ALA A 41 12.242 9.677 -6.182 1.00 0.00 N +ATOM 567 CA ALA A 41 12.666 10.064 -7.522 1.00 0.00 C +ATOM 568 C ALA A 41 12.756 8.851 -8.441 1.00 0.00 C +ATOM 569 O ALA A 41 13.694 8.724 -9.229 1.00 0.00 O +ATOM 570 CB ALA A 41 14.004 10.785 -7.464 1.00 0.00 C +ATOM 571 H ALA A 41 12.904 9.315 -5.557 1.00 0.00 H +ATOM 572 HA ALA A 41 11.932 10.750 -7.919 1.00 0.00 H +ATOM 573 HB1 ALA A 41 14.020 11.572 -8.205 1.00 0.00 H +ATOM 574 HB2 ALA A 41 14.140 11.212 -6.482 1.00 0.00 H +ATOM 575 HB3 ALA A 41 14.800 10.084 -7.666 1.00 0.00 H +ATOM 576 N HIS A 42 11.775 7.959 -8.336 1.00 0.00 N +ATOM 577 CA HIS A 42 11.745 6.755 -9.158 1.00 0.00 C +ATOM 578 C HIS A 42 10.632 6.837 -10.200 1.00 0.00 C +ATOM 579 O HIS A 42 9.667 7.584 -10.036 1.00 0.00 O +ATOM 580 CB HIS A 42 11.548 5.518 -8.281 1.00 0.00 C +ATOM 581 CG HIS A 42 12.800 5.067 -7.593 1.00 0.00 C +ATOM 582 ND1 HIS A 42 12.891 3.878 -6.901 1.00 0.00 N +ATOM 583 CD2 HIS A 42 14.016 5.651 -7.496 1.00 0.00 C +ATOM 584 CE1 HIS A 42 14.109 3.752 -6.406 1.00 0.00 C +ATOM 585 NE2 HIS A 42 14.812 4.815 -6.753 1.00 0.00 N +ATOM 586 H HIS A 42 11.055 8.116 -7.690 1.00 0.00 H +ATOM 587 HA HIS A 42 12.693 6.677 -9.668 1.00 0.00 H +ATOM 588 HB2 HIS A 42 10.813 5.737 -7.521 1.00 0.00 H +ATOM 589 HB3 HIS A 42 11.193 4.703 -8.895 1.00 0.00 H +ATOM 590 HD2 HIS A 42 14.308 6.601 -7.922 1.00 0.00 H +ATOM 591 HE1 HIS A 42 14.469 2.921 -5.818 1.00 0.00 H +ATOM 592 HE2 HIS A 42 15.720 5.015 -6.445 1.00 0.00 H +ATOM 593 N THR A 43 10.774 6.064 -11.272 1.00 0.00 N +ATOM 594 CA THR A 43 9.784 6.050 -12.341 1.00 0.00 C +ATOM 595 C THR A 43 8.666 5.058 -12.041 1.00 0.00 C +ATOM 596 O THR A 43 8.768 3.875 -12.366 1.00 0.00 O +ATOM 597 CB THR A 43 10.424 5.691 -13.695 1.00 0.00 C +ATOM 598 OG1 THR A 43 11.504 6.587 -13.979 1.00 0.00 O +ATOM 599 CG2 THR A 43 9.395 5.758 -14.814 1.00 0.00 C +ATOM 600 H THR A 43 11.565 5.490 -11.345 1.00 0.00 H +ATOM 601 HA THR A 43 9.362 7.042 -12.417 1.00 0.00 H +ATOM 602 HB THR A 43 10.808 4.683 -13.639 1.00 0.00 H +ATOM 603 HG1 THR A 43 11.892 6.362 -14.828 1.00 0.00 H +ATOM 604 HG21 THR A 43 8.411 5.570 -14.411 1.00 0.00 H +ATOM 605 HG22 THR A 43 9.627 5.013 -15.561 1.00 0.00 H +ATOM 606 HG23 THR A 43 9.418 6.739 -15.265 1.00 0.00 H +ATOM 607 N VAL A 44 7.597 5.548 -11.420 1.00 0.00 N +ATOM 608 CA VAL A 44 6.458 4.704 -11.079 1.00 0.00 C +ATOM 609 C VAL A 44 5.402 4.734 -12.178 1.00 0.00 C +ATOM 610 O VAL A 44 5.091 5.792 -12.727 1.00 0.00 O +ATOM 611 CB VAL A 44 5.813 5.143 -9.751 1.00 0.00 C +ATOM 612 CG1 VAL A 44 4.601 4.280 -9.435 1.00 0.00 C +ATOM 613 CG2 VAL A 44 6.829 5.085 -8.620 1.00 0.00 C +ATOM 614 H VAL A 44 7.574 6.499 -11.187 1.00 0.00 H +ATOM 615 HA VAL A 44 6.815 3.691 -10.964 1.00 0.00 H +ATOM 616 HB VAL A 44 5.481 6.166 -9.856 1.00 0.00 H +ATOM 617 HG11 VAL A 44 3.984 4.780 -8.703 1.00 0.00 H +ATOM 618 HG12 VAL A 44 4.030 4.116 -10.337 1.00 0.00 H +ATOM 619 HG13 VAL A 44 4.930 3.330 -9.038 1.00 0.00 H +ATOM 620 HG21 VAL A 44 7.479 4.235 -8.765 1.00 0.00 H +ATOM 621 HG22 VAL A 44 7.418 5.991 -8.617 1.00 0.00 H +ATOM 622 HG23 VAL A 44 6.313 4.988 -7.677 1.00 0.00 H +ATOM 623 N VAL A 45 4.854 3.566 -12.496 1.00 0.00 N +ATOM 624 CA VAL A 45 3.831 3.458 -13.530 1.00 0.00 C +ATOM 625 C VAL A 45 2.585 2.759 -12.999 1.00 0.00 C +ATOM 626 O VAL A 45 2.659 1.839 -12.183 1.00 0.00 O +ATOM 627 CB VAL A 45 4.353 2.690 -14.758 1.00 0.00 C +ATOM 628 CG1 VAL A 45 5.693 3.252 -15.209 1.00 0.00 C +ATOM 629 CG2 VAL A 45 4.465 1.205 -14.449 1.00 0.00 C +ATOM 630 H VAL A 45 5.143 2.758 -12.024 1.00 0.00 H +ATOM 631 HA VAL A 45 3.565 4.458 -13.843 1.00 0.00 H +ATOM 632 HB VAL A 45 3.645 2.816 -15.564 1.00 0.00 H +ATOM 633 HG11 VAL A 45 5.896 4.169 -14.676 1.00 0.00 H +ATOM 634 HG12 VAL A 45 6.473 2.533 -15.003 1.00 0.00 H +ATOM 635 HG13 VAL A 45 5.660 3.453 -16.270 1.00 0.00 H +ATOM 636 HG21 VAL A 45 3.618 0.685 -14.871 1.00 0.00 H +ATOM 637 HG22 VAL A 45 5.376 0.815 -14.880 1.00 0.00 H +ATOM 638 HG23 VAL A 45 4.482 1.059 -13.380 1.00 0.00 H +ATOM 639 N PRO A 46 1.410 3.202 -13.472 1.00 0.00 N +ATOM 640 CA PRO A 46 0.125 2.632 -13.059 1.00 0.00 C +ATOM 641 C PRO A 46 -0.082 1.219 -13.595 1.00 0.00 C +ATOM 642 O PRO A 46 0.313 0.907 -14.719 1.00 0.00 O +ATOM 643 CB PRO A 46 -0.901 3.590 -13.670 1.00 0.00 C +ATOM 644 CG PRO A 46 -0.202 4.200 -14.835 1.00 0.00 C +ATOM 645 CD PRO A 46 1.248 4.294 -14.446 1.00 0.00 C +ATOM 646 HA PRO A 46 0.020 2.626 -11.984 1.00 0.00 H +ATOM 647 HB2 PRO A 46 -1.776 3.036 -13.978 1.00 0.00 H +ATOM 648 HB3 PRO A 46 -1.179 4.337 -12.941 1.00 0.00 H +ATOM 649 HG2 PRO A 46 -0.317 3.570 -15.704 1.00 0.00 H +ATOM 650 HG3 PRO A 46 -0.602 5.185 -15.028 1.00 0.00 H +ATOM 651 HD2 PRO A 46 1.880 4.140 -15.308 1.00 0.00 H +ATOM 652 HD3 PRO A 46 1.455 5.251 -13.990 1.00 0.00 H +ATOM 653 N LEU A 47 -0.702 0.369 -12.784 1.00 0.00 N +ATOM 654 CA LEU A 47 -0.961 -1.012 -13.177 1.00 0.00 C +ATOM 655 C LEU A 47 -2.396 -1.179 -13.667 1.00 0.00 C +ATOM 656 O LEU A 47 -2.996 -2.242 -13.512 1.00 0.00 O +ATOM 657 CB LEU A 47 -0.699 -1.956 -12.002 1.00 0.00 C +ATOM 658 CG LEU A 47 0.731 -1.970 -11.459 1.00 0.00 C +ATOM 659 CD1 LEU A 47 0.818 -2.832 -10.209 1.00 0.00 C +ATOM 660 CD2 LEU A 47 1.700 -2.467 -12.521 1.00 0.00 C +ATOM 661 H LEU A 47 -0.992 0.675 -11.900 1.00 0.00 H +ATOM 662 HA LEU A 47 -0.287 -1.259 -13.984 1.00 0.00 H +ATOM 663 HB2 LEU A 47 -1.356 -1.669 -11.195 1.00 0.00 H +ATOM 664 HB3 LEU A 47 -0.941 -2.958 -12.324 1.00 0.00 H +ATOM 665 HG LEU A 47 1.016 -0.962 -11.189 1.00 0.00 H +ATOM 666 HD11 LEU A 47 0.120 -3.652 -10.288 1.00 0.00 H +ATOM 667 HD12 LEU A 47 0.577 -2.235 -9.342 1.00 0.00 H +ATOM 668 HD13 LEU A 47 1.821 -3.221 -10.110 1.00 0.00 H +ATOM 669 HD21 LEU A 47 2.242 -1.628 -12.933 1.00 0.00 H +ATOM 670 HD22 LEU A 47 1.149 -2.961 -13.308 1.00 0.00 H +ATOM 671 HD23 LEU A 47 2.396 -3.162 -12.076 1.00 0.00 H +ATOM 672 N SER A 48 -2.939 -0.121 -14.261 1.00 0.00 N +ATOM 673 CA SER A 48 -4.305 -0.149 -14.773 1.00 0.00 C +ATOM 674 C SER A 48 -4.313 -0.136 -16.298 1.00 0.00 C +ATOM 675 O SER A 48 -3.349 0.292 -16.932 1.00 0.00 O +ATOM 676 CB SER A 48 -5.097 1.044 -14.236 1.00 0.00 C +ATOM 677 OG SER A 48 -5.585 0.788 -12.931 1.00 0.00 O +ATOM 678 H SER A 48 -2.410 0.699 -14.355 1.00 0.00 H +ATOM 679 HA SER A 48 -4.768 -1.062 -14.430 1.00 0.00 H +ATOM 680 HB2 SER A 48 -4.458 1.913 -14.204 1.00 0.00 H +ATOM 681 HB3 SER A 48 -5.936 1.239 -14.890 1.00 0.00 H +ATOM 682 HG SER A 48 -5.218 1.430 -12.319 1.00 0.00 H +ATOM 683 N GLY A 49 -5.411 -0.608 -16.882 1.00 0.00 N +ATOM 684 CA GLY A 49 -5.526 -0.642 -18.328 1.00 0.00 C +ATOM 685 C GLY A 49 -6.851 -0.092 -18.818 1.00 0.00 C +ATOM 686 O GLY A 49 -7.870 -0.165 -18.130 1.00 0.00 O +ATOM 687 H GLY A 49 -6.148 -0.935 -16.326 1.00 0.00 H +ATOM 688 HA2 GLY A 49 -4.725 -0.057 -18.756 1.00 0.00 H +ATOM 689 HA3 GLY A 49 -5.429 -1.665 -18.661 1.00 0.00 H +ATOM 690 N PRO A 50 -6.848 0.477 -20.032 1.00 0.00 N +ATOM 691 CA PRO A 50 -8.051 1.054 -20.640 1.00 0.00 C +ATOM 692 C PRO A 50 -9.069 -0.011 -21.033 1.00 0.00 C +ATOM 693 O PRO A 50 -10.175 0.306 -21.471 1.00 0.00 O +ATOM 694 CB PRO A 50 -7.514 1.765 -21.884 1.00 0.00 C +ATOM 695 CG PRO A 50 -6.254 1.043 -22.220 1.00 0.00 C +ATOM 696 CD PRO A 50 -5.669 0.599 -20.907 1.00 0.00 C +ATOM 697 HA PRO A 50 -8.519 1.774 -19.985 1.00 0.00 H +ATOM 698 HB2 PRO A 50 -8.237 1.692 -22.684 1.00 0.00 H +ATOM 699 HB3 PRO A 50 -7.324 2.803 -21.656 1.00 0.00 H +ATOM 700 HG2 PRO A 50 -6.476 0.188 -22.840 1.00 0.00 H +ATOM 701 HG3 PRO A 50 -5.573 1.710 -22.727 1.00 0.00 H +ATOM 702 HD2 PRO A 50 -5.171 -0.353 -21.019 1.00 0.00 H +ATOM 703 HD3 PRO A 50 -4.985 1.344 -20.528 1.00 0.00 H +ATOM 704 N SER A 51 -8.690 -1.274 -20.872 1.00 0.00 N +ATOM 705 CA SER A 51 -9.570 -2.386 -21.213 1.00 0.00 C +ATOM 706 C SER A 51 -10.714 -2.500 -20.211 1.00 0.00 C +ATOM 707 O SER A 51 -11.873 -2.255 -20.546 1.00 0.00 O +ATOM 708 CB SER A 51 -8.780 -3.696 -21.253 1.00 0.00 C +ATOM 709 OG SER A 51 -9.640 -4.805 -21.445 1.00 0.00 O +ATOM 710 H SER A 51 -7.796 -1.463 -20.517 1.00 0.00 H +ATOM 711 HA SER A 51 -9.982 -2.194 -22.192 1.00 0.00 H +ATOM 712 HB2 SER A 51 -8.071 -3.661 -22.066 1.00 0.00 H +ATOM 713 HB3 SER A 51 -8.251 -3.823 -20.319 1.00 0.00 H +ATOM 714 HG SER A 51 -9.117 -5.605 -21.535 1.00 0.00 H +ATOM 715 N SER A 52 -10.380 -2.874 -18.980 1.00 0.00 N +ATOM 716 CA SER A 52 -11.380 -3.025 -17.929 1.00 0.00 C +ATOM 717 C SER A 52 -12.242 -1.772 -17.816 1.00 0.00 C +ATOM 718 O SER A 52 -13.422 -1.783 -18.164 1.00 0.00 O +ATOM 719 CB SER A 52 -10.701 -3.313 -16.589 1.00 0.00 C +ATOM 720 OG SER A 52 -11.588 -3.970 -15.699 1.00 0.00 O +ATOM 721 H SER A 52 -9.439 -3.055 -18.775 1.00 0.00 H +ATOM 722 HA SER A 52 -12.012 -3.860 -18.190 1.00 0.00 H +ATOM 723 HB2 SER A 52 -9.841 -3.945 -16.752 1.00 0.00 H +ATOM 724 HB3 SER A 52 -10.385 -2.382 -16.141 1.00 0.00 H +ATOM 725 HG SER A 52 -12.199 -3.331 -15.326 1.00 0.00 H +ATOM 726 N GLY A 53 -11.643 -0.690 -17.326 1.00 0.00 N +ATOM 727 CA GLY A 53 -12.370 0.557 -17.175 1.00 0.00 C +ATOM 728 C GLY A 53 -11.704 1.708 -17.902 1.00 0.00 C +ATOM 729 O GLY A 53 -10.766 1.474 -18.662 1.00 0.00 O +ATOM 730 H GLY A 53 -10.700 -0.740 -17.065 1.00 0.00 H +ATOM 731 HA2 GLY A 53 -13.369 0.428 -17.565 1.00 0.00 H +ATOM 732 HA3 GLY A 53 -12.434 0.798 -16.124 1.00 0.00 H Added: SwiftApps/modFTdock/input/indata/2dk1-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2dk1-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2dk1-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,715 @@ +ATOM 1 N GLY A 1 -10.054 5.331 -23.582 1.00 0.00 N +ATOM 2 CA GLY A 1 -9.680 5.856 -24.884 1.00 0.00 C +ATOM 3 C GLY A 1 -8.285 5.376 -25.288 1.00 0.00 C +ATOM 4 O GLY A 1 -8.147 4.362 -25.971 1.00 0.00 O +ATOM 5 H1 GLY A 1 -10.816 5.804 -23.139 1.00 0.00 H +ATOM 6 HA2 GLY A 1 -10.408 5.541 -25.630 1.00 0.00 H +ATOM 7 HA3 GLY A 1 -9.700 6.946 -24.859 1.00 0.00 H +ATOM 8 N SER A 2 -7.285 6.126 -24.848 1.00 0.00 N +ATOM 9 CA SER A 2 -5.905 5.789 -25.156 1.00 0.00 C +ATOM 10 C SER A 2 -5.213 5.228 -23.912 1.00 0.00 C +ATOM 11 O SER A 2 -4.741 4.092 -23.918 1.00 0.00 O +ATOM 12 CB SER A 2 -5.145 7.007 -25.682 1.00 0.00 C +ATOM 13 OG SER A 2 -4.878 6.908 -27.078 1.00 0.00 O +ATOM 14 H SER A 2 -7.405 6.948 -24.293 1.00 0.00 H +ATOM 15 HA SER A 2 -5.961 5.031 -25.937 1.00 0.00 H +ATOM 16 HB2 SER A 2 -5.725 7.909 -25.487 1.00 0.00 H +ATOM 17 HB3 SER A 2 -4.205 7.110 -25.140 1.00 0.00 H +ATOM 18 HG SER A 2 -5.501 6.249 -27.500 1.00 0.00 H +ATOM 19 N SER A 3 -5.175 6.050 -22.874 1.00 0.00 N +ATOM 20 CA SER A 3 -4.549 5.651 -21.625 1.00 0.00 C +ATOM 21 C SER A 3 -5.472 5.978 -20.449 1.00 0.00 C +ATOM 22 O SER A 3 -6.358 6.823 -20.567 1.00 0.00 O +ATOM 23 CB SER A 3 -3.194 6.338 -21.443 1.00 0.00 C +ATOM 24 OG SER A 3 -3.334 7.729 -21.169 1.00 0.00 O +ATOM 25 H SER A 3 -5.562 6.973 -22.876 1.00 0.00 H +ATOM 26 HA SER A 3 -4.402 4.574 -21.708 1.00 0.00 H +ATOM 27 HB2 SER A 3 -2.652 5.860 -20.627 1.00 0.00 H +ATOM 28 HB3 SER A 3 -2.596 6.204 -22.345 1.00 0.00 H +ATOM 29 HG SER A 3 -2.607 8.242 -21.626 1.00 0.00 H +ATOM 30 N GLY A 4 -5.233 5.291 -19.341 1.00 0.00 N +ATOM 31 CA GLY A 4 -6.031 5.497 -18.145 1.00 0.00 C +ATOM 32 C GLY A 4 -5.679 6.826 -17.474 1.00 0.00 C +ATOM 33 O GLY A 4 -4.507 7.114 -17.235 1.00 0.00 O +ATOM 34 H GLY A 4 -4.510 4.605 -19.254 1.00 0.00 H +ATOM 35 HA2 GLY A 4 -7.090 5.486 -18.404 1.00 0.00 H +ATOM 36 HA3 GLY A 4 -5.864 4.677 -17.446 1.00 0.00 H +ATOM 37 N SER A 5 -6.715 7.601 -17.189 1.00 0.00 N +ATOM 38 CA SER A 5 -6.530 8.893 -16.550 1.00 0.00 C +ATOM 39 C SER A 5 -6.673 8.752 -15.033 1.00 0.00 C +ATOM 40 O SER A 5 -7.444 7.922 -14.554 1.00 0.00 O +ATOM 41 CB SER A 5 -7.530 9.920 -17.084 1.00 0.00 C +ATOM 42 OG SER A 5 -7.014 11.247 -17.027 1.00 0.00 O +ATOM 43 H SER A 5 -7.665 7.360 -17.387 1.00 0.00 H +ATOM 44 HA SER A 5 -5.518 9.202 -16.811 1.00 0.00 H +ATOM 45 HB2 SER A 5 -7.786 9.675 -18.115 1.00 0.00 H +ATOM 46 HB3 SER A 5 -8.452 9.864 -16.505 1.00 0.00 H +ATOM 47 HG SER A 5 -7.258 11.745 -17.860 1.00 0.00 H +ATOM 48 N SER A 6 -5.919 9.576 -14.320 1.00 0.00 N +ATOM 49 CA SER A 6 -5.953 9.553 -12.868 1.00 0.00 C +ATOM 50 C SER A 6 -5.364 8.239 -12.351 1.00 0.00 C +ATOM 51 O SER A 6 -5.255 7.267 -13.098 1.00 0.00 O +ATOM 52 CB SER A 6 -7.379 9.736 -12.347 1.00 0.00 C +ATOM 53 OG SER A 6 -7.432 10.630 -11.239 1.00 0.00 O +ATOM 54 H SER A 6 -5.295 10.248 -14.718 1.00 0.00 H +ATOM 55 HA SER A 6 -5.340 10.397 -12.552 1.00 0.00 H +ATOM 56 HB2 SER A 6 -8.012 10.116 -13.149 1.00 0.00 H +ATOM 57 HB3 SER A 6 -7.785 8.769 -12.052 1.00 0.00 H +ATOM 58 HG SER A 6 -6.507 10.832 -10.917 1.00 0.00 H +ATOM 59 N GLY A 7 -4.999 8.251 -11.078 1.00 0.00 N +ATOM 60 CA GLY A 7 -4.424 7.072 -10.452 1.00 0.00 C +ATOM 61 C GLY A 7 -5.518 6.156 -9.900 1.00 0.00 C +ATOM 62 O GLY A 7 -6.617 6.613 -9.589 1.00 0.00 O +ATOM 63 H GLY A 7 -5.091 9.045 -10.477 1.00 0.00 H +ATOM 64 HA2 GLY A 7 -3.822 6.528 -11.180 1.00 0.00 H +ATOM 65 HA3 GLY A 7 -3.755 7.373 -9.646 1.00 0.00 H +ATOM 66 N ARG A 8 -5.179 4.879 -9.794 1.00 0.00 N +ATOM 67 CA ARG A 8 -6.118 3.895 -9.285 1.00 0.00 C +ATOM 68 C ARG A 8 -5.448 3.022 -8.222 1.00 0.00 C +ATOM 69 O ARG A 8 -4.695 2.106 -8.549 1.00 0.00 O +ATOM 70 CB ARG A 8 -6.644 3.002 -10.410 1.00 0.00 C +ATOM 71 CG ARG A 8 -6.498 3.689 -11.769 1.00 0.00 C +ATOM 72 CD ARG A 8 -7.468 4.865 -11.897 1.00 0.00 C +ATOM 73 NE ARG A 8 -8.357 4.664 -13.063 1.00 0.00 N +ATOM 74 CZ ARG A 8 -7.924 4.527 -14.323 1.00 0.00 C +ATOM 75 NH1 ARG A 8 -6.611 4.569 -14.588 1.00 0.00 N +ATOM 76 NH2 ARG A 8 -8.803 4.349 -15.318 1.00 0.00 N +ATOM 77 H ARG A 8 -4.282 4.516 -10.049 1.00 0.00 H +ATOM 78 HA ARG A 8 -6.931 4.481 -8.856 1.00 0.00 H +ATOM 79 HB2 ARG A 8 -6.099 2.058 -10.415 1.00 0.00 H +ATOM 80 HB3 ARG A 8 -7.693 2.764 -10.230 1.00 0.00 H +ATOM 81 HG2 ARG A 8 -5.474 4.042 -11.894 1.00 0.00 H +ATOM 82 HG3 ARG A 8 -6.686 2.970 -12.566 1.00 0.00 H +ATOM 83 HD2 ARG A 8 -8.062 4.957 -10.987 1.00 0.00 H +ATOM 84 HD3 ARG A 8 -6.912 5.796 -12.009 1.00 0.00 H +ATOM 85 HE ARG A 8 -9.343 4.628 -12.900 1.00 0.00 H +ATOM 86 HH11 ARG A 8 -5.955 4.702 -13.845 1.00 0.00 H +ATOM 87 HH12 ARG A 8 -6.287 4.467 -15.529 1.00 0.00 H +ATOM 88 HH21 ARG A 8 -9.783 4.317 -15.120 1.00 0.00 H +ATOM 89 HH22 ARG A 8 -8.479 4.247 -16.259 1.00 0.00 H +ATOM 90 N TRP A 9 -5.746 3.337 -6.970 1.00 0.00 N +ATOM 91 CA TRP A 9 -5.181 2.593 -5.856 1.00 0.00 C +ATOM 92 C TRP A 9 -6.292 2.363 -4.830 1.00 0.00 C +ATOM 93 O TRP A 9 -7.292 3.080 -4.820 1.00 0.00 O +ATOM 94 CB TRP A 9 -3.968 3.318 -5.271 1.00 0.00 C +ATOM 95 CG TRP A 9 -2.869 3.617 -6.293 1.00 0.00 C +ATOM 96 CD1 TRP A 9 -2.951 4.375 -7.394 1.00 0.00 C +ATOM 97 CD2 TRP A 9 -1.511 3.130 -6.262 1.00 0.00 C +ATOM 98 NE1 TRP A 9 -1.750 4.412 -8.073 1.00 0.00 N +ATOM 99 CE2 TRP A 9 -0.846 3.630 -7.362 1.00 0.00 C +ATOM 100 CE3 TRP A 9 -0.865 2.293 -5.334 1.00 0.00 C +ATOM 101 CZ2 TRP A 9 0.497 3.352 -7.639 1.00 0.00 C +ATOM 102 CZ3 TRP A 9 0.477 2.024 -5.625 1.00 0.00 C +ATOM 103 CH2 TRP A 9 1.161 2.520 -6.729 1.00 0.00 C +ATOM 104 H TRP A 9 -6.359 4.084 -6.711 1.00 0.00 H +ATOM 105 HA TRP A 9 -4.825 1.638 -6.241 1.00 0.00 H +ATOM 106 HB2 TRP A 9 -4.299 4.256 -4.824 1.00 0.00 H +ATOM 107 HB3 TRP A 9 -3.548 2.713 -4.468 1.00 0.00 H +ATOM 108 HD1 TRP A 9 -3.852 4.897 -7.714 1.00 0.00 H +ATOM 109 HE1 TRP A 9 -1.547 4.954 -8.997 1.00 0.00 H +ATOM 110 HE3 TRP A 9 -1.368 1.885 -4.457 1.00 0.00 H +ATOM 111 HZ2 TRP A 9 1.000 3.760 -8.516 1.00 0.00 H +ATOM 112 HZ3 TRP A 9 1.025 1.380 -4.937 1.00 0.00 H +ATOM 113 HH2 TRP A 9 2.208 2.263 -6.885 1.00 0.00 H +ATOM 114 N VAL A 10 -6.081 1.359 -3.991 1.00 0.00 N +ATOM 115 CA VAL A 10 -7.052 1.025 -2.963 1.00 0.00 C +ATOM 116 C VAL A 10 -6.316 0.656 -1.674 1.00 0.00 C +ATOM 117 O VAL A 10 -5.312 -0.053 -1.709 1.00 0.00 O +ATOM 118 CB VAL A 10 -7.980 -0.084 -3.461 1.00 0.00 C +ATOM 119 CG1 VAL A 10 -9.086 0.485 -4.352 1.00 0.00 C +ATOM 120 CG2 VAL A 10 -7.191 -1.171 -4.194 1.00 0.00 C +ATOM 121 H VAL A 10 -5.265 0.781 -4.006 1.00 0.00 H +ATOM 122 HA VAL A 10 -7.656 1.914 -2.780 1.00 0.00 H +ATOM 123 HB VAL A 10 -8.452 -0.541 -2.592 1.00 0.00 H +ATOM 124 HG11 VAL A 10 -9.857 -0.271 -4.501 1.00 0.00 H +ATOM 125 HG12 VAL A 10 -9.524 1.361 -3.873 1.00 0.00 H +ATOM 126 HG13 VAL A 10 -8.666 0.770 -5.316 1.00 0.00 H +ATOM 127 HG21 VAL A 10 -6.619 -0.721 -5.005 1.00 0.00 H +ATOM 128 HG22 VAL A 10 -6.510 -1.659 -3.496 1.00 0.00 H +ATOM 129 HG23 VAL A 10 -7.882 -1.909 -4.602 1.00 0.00 H +ATOM 130 N GLU A 11 -6.846 1.153 -0.565 1.00 0.00 N +ATOM 131 CA GLU A 11 -6.252 0.884 0.733 1.00 0.00 C +ATOM 132 C GLU A 11 -6.807 -0.420 1.311 1.00 0.00 C +ATOM 133 O GLU A 11 -8.021 -0.585 1.426 1.00 0.00 O +ATOM 134 CB GLU A 11 -6.483 2.051 1.695 1.00 0.00 C +ATOM 135 CG GLU A 11 -5.731 1.836 3.010 1.00 0.00 C +ATOM 136 CD GLU A 11 -5.606 3.146 3.790 1.00 0.00 C +ATOM 137 OE1 GLU A 11 -6.552 3.957 3.693 1.00 0.00 O +ATOM 138 OE2 GLU A 11 -4.567 3.307 4.466 1.00 0.00 O +ATOM 139 H GLU A 11 -7.663 1.728 -0.545 1.00 0.00 H +ATOM 140 HA GLU A 11 -5.183 0.780 0.548 1.00 0.00 H +ATOM 141 HB2 GLU A 11 -6.152 2.980 1.230 1.00 0.00 H +ATOM 142 HB3 GLU A 11 -7.549 2.157 1.895 1.00 0.00 H +ATOM 143 HG2 GLU A 11 -6.255 1.096 3.615 1.00 0.00 H +ATOM 144 HG3 GLU A 11 -4.739 1.435 2.804 1.00 0.00 H +ATOM 145 N GLY A 12 -5.892 -1.313 1.659 1.00 0.00 N +ATOM 146 CA GLY A 12 -6.275 -2.597 2.221 1.00 0.00 C +ATOM 147 C GLY A 12 -5.412 -2.942 3.437 1.00 0.00 C +ATOM 148 O GLY A 12 -5.077 -2.067 4.233 1.00 0.00 O +ATOM 149 H GLY A 12 -4.907 -1.171 1.562 1.00 0.00 H +ATOM 150 HA2 GLY A 12 -7.325 -2.572 2.511 1.00 0.00 H +ATOM 151 HA3 GLY A 12 -6.171 -3.375 1.465 1.00 0.00 H +ATOM 152 N ILE A 13 -5.077 -4.220 3.541 1.00 0.00 N +ATOM 153 CA ILE A 13 -4.260 -4.691 4.646 1.00 0.00 C +ATOM 154 C ILE A 13 -3.398 -5.864 4.173 1.00 0.00 C +ATOM 155 O ILE A 13 -3.761 -6.564 3.229 1.00 0.00 O +ATOM 156 CB ILE A 13 -5.135 -5.020 5.857 1.00 0.00 C +ATOM 157 CG1 ILE A 13 -5.815 -3.761 6.400 1.00 0.00 C +ATOM 158 CG2 ILE A 13 -4.328 -5.746 6.936 1.00 0.00 C +ATOM 159 CD1 ILE A 13 -4.784 -2.783 6.969 1.00 0.00 C +ATOM 160 H ILE A 13 -5.354 -4.925 2.889 1.00 0.00 H +ATOM 161 HA ILE A 13 -3.600 -3.874 4.937 1.00 0.00 H +ATOM 162 HB ILE A 13 -5.924 -5.698 5.534 1.00 0.00 H +ATOM 163 HG12 ILE A 13 -6.380 -3.277 5.604 1.00 0.00 H +ATOM 164 HG13 ILE A 13 -6.528 -4.035 7.177 1.00 0.00 H +ATOM 165 HG21 ILE A 13 -3.480 -5.129 7.232 1.00 0.00 H +ATOM 166 HG22 ILE A 13 -4.963 -5.931 7.802 1.00 0.00 H +ATOM 167 HG23 ILE A 13 -3.966 -6.695 6.541 1.00 0.00 H +ATOM 168 HD11 ILE A 13 -4.899 -1.813 6.485 1.00 0.00 H +ATOM 169 HD12 ILE A 13 -4.939 -2.675 8.042 1.00 0.00 H +ATOM 170 HD13 ILE A 13 -3.780 -3.165 6.783 1.00 0.00 H +ATOM 171 N THR A 14 -2.274 -6.042 4.851 1.00 0.00 N +ATOM 172 CA THR A 14 -1.358 -7.118 4.513 1.00 0.00 C +ATOM 173 C THR A 14 -1.011 -7.935 5.759 1.00 0.00 C +ATOM 174 O THR A 14 -1.650 -7.789 6.799 1.00 0.00 O +ATOM 175 CB THR A 14 -0.136 -6.501 3.830 1.00 0.00 C +ATOM 176 OG1 THR A 14 0.512 -5.774 4.870 1.00 0.00 O +ATOM 177 CG2 THR A 14 -0.516 -5.429 2.807 1.00 0.00 C +ATOM 178 H THR A 14 -1.987 -5.468 5.618 1.00 0.00 H +ATOM 179 HA THR A 14 -1.861 -7.792 3.819 1.00 0.00 H +ATOM 180 HB THR A 14 0.486 -7.272 3.375 1.00 0.00 H +ATOM 181 HG1 THR A 14 1.088 -6.389 5.410 1.00 0.00 H +ATOM 182 HG21 THR A 14 -1.329 -5.796 2.181 1.00 0.00 H +ATOM 183 HG22 THR A 14 -0.836 -4.527 3.328 1.00 0.00 H +ATOM 184 HG23 THR A 14 0.348 -5.201 2.183 1.00 0.00 H +ATOM 185 N SER A 15 0.001 -8.777 5.612 1.00 0.00 N +ATOM 186 CA SER A 15 0.441 -9.617 6.713 1.00 0.00 C +ATOM 187 C SER A 15 0.485 -8.803 8.007 1.00 0.00 C +ATOM 188 O SER A 15 1.002 -7.687 8.026 1.00 0.00 O +ATOM 189 CB SER A 15 1.814 -10.229 6.424 1.00 0.00 C +ATOM 190 OG SER A 15 2.124 -11.292 7.322 1.00 0.00 O +ATOM 191 H SER A 15 0.516 -8.890 4.762 1.00 0.00 H +ATOM 192 HA SER A 15 -0.302 -10.411 6.785 1.00 0.00 H +ATOM 193 HB2 SER A 15 1.836 -10.602 5.400 1.00 0.00 H +ATOM 194 HB3 SER A 15 2.578 -9.456 6.499 1.00 0.00 H +ATOM 195 HG SER A 15 1.284 -11.746 7.617 1.00 0.00 H +ATOM 196 N GLU A 16 -0.065 -9.394 9.059 1.00 0.00 N +ATOM 197 CA GLU A 16 -0.095 -8.737 10.354 1.00 0.00 C +ATOM 198 C GLU A 16 -1.306 -7.807 10.450 1.00 0.00 C +ATOM 199 O GLU A 16 -2.234 -8.067 11.215 1.00 0.00 O +ATOM 200 CB GLU A 16 1.205 -7.972 10.612 1.00 0.00 C +ATOM 201 CG GLU A 16 1.487 -7.861 12.112 1.00 0.00 C +ATOM 202 CD GLU A 16 2.706 -8.699 12.504 1.00 0.00 C +ATOM 203 OE1 GLU A 16 2.771 -9.858 12.040 1.00 0.00 O +ATOM 204 OE2 GLU A 16 3.545 -8.162 13.259 1.00 0.00 O +ATOM 205 H GLU A 16 -0.483 -10.302 9.035 1.00 0.00 H +ATOM 206 HA GLU A 16 -0.187 -9.541 11.085 1.00 0.00 H +ATOM 207 HB2 GLU A 16 2.034 -8.481 10.120 1.00 0.00 H +ATOM 208 HB3 GLU A 16 1.137 -6.976 10.176 1.00 0.00 H +ATOM 209 HG2 GLU A 16 1.658 -6.818 12.377 1.00 0.00 H +ATOM 210 HG3 GLU A 16 0.616 -8.194 12.676 1.00 0.00 H +ATOM 211 N GLY A 17 -1.259 -6.743 9.663 1.00 0.00 N +ATOM 212 CA GLY A 17 -2.341 -5.773 9.649 1.00 0.00 C +ATOM 213 C GLY A 17 -1.831 -4.389 9.241 1.00 0.00 C +ATOM 214 O GLY A 17 -2.197 -3.385 9.850 1.00 0.00 O +ATOM 215 H GLY A 17 -0.501 -6.539 9.043 1.00 0.00 H +ATOM 216 HA2 GLY A 17 -3.116 -6.098 8.956 1.00 0.00 H +ATOM 217 HA3 GLY A 17 -2.798 -5.720 10.637 1.00 0.00 H +ATOM 218 N TYR A 18 -0.995 -4.381 8.213 1.00 0.00 N +ATOM 219 CA TYR A 18 -0.432 -3.137 7.717 1.00 0.00 C +ATOM 220 C TYR A 18 -1.290 -2.557 6.591 1.00 0.00 C +ATOM 221 O TYR A 18 -1.590 -3.246 5.617 1.00 0.00 O +ATOM 222 CB TYR A 18 0.948 -3.491 7.160 1.00 0.00 C +ATOM 223 CG TYR A 18 1.855 -4.215 8.158 1.00 0.00 C +ATOM 224 CD1 TYR A 18 1.969 -3.747 9.451 1.00 0.00 C +ATOM 225 CD2 TYR A 18 2.558 -5.335 7.764 1.00 0.00 C +ATOM 226 CE1 TYR A 18 2.822 -4.428 10.390 1.00 0.00 C +ATOM 227 CE2 TYR A 18 3.411 -6.016 8.703 1.00 0.00 C +ATOM 228 CZ TYR A 18 3.501 -5.529 9.970 1.00 0.00 C +ATOM 229 OH TYR A 18 4.307 -6.173 10.857 1.00 0.00 O +ATOM 230 H TYR A 18 -0.703 -5.202 7.724 1.00 0.00 H +ATOM 231 HA TYR A 18 -0.403 -2.427 8.544 1.00 0.00 H +ATOM 232 HB2 TYR A 18 0.822 -4.119 6.278 1.00 0.00 H +ATOM 233 HB3 TYR A 18 1.443 -2.577 6.833 1.00 0.00 H +ATOM 234 HD1 TYR A 18 1.414 -2.862 9.762 1.00 0.00 H +ATOM 235 HD2 TYR A 18 2.467 -5.705 6.743 1.00 0.00 H +ATOM 236 HE1 TYR A 18 2.922 -4.070 11.415 1.00 0.00 H +ATOM 237 HE2 TYR A 18 3.972 -6.902 8.406 1.00 0.00 H +ATOM 238 HH TYR A 18 5.031 -5.558 11.169 1.00 0.00 H +ATOM 239 N HIS A 19 -1.661 -1.297 6.761 1.00 0.00 N +ATOM 240 CA HIS A 19 -2.479 -0.617 5.771 1.00 0.00 C +ATOM 241 C HIS A 19 -1.626 -0.279 4.546 1.00 0.00 C +ATOM 242 O HIS A 19 -0.801 0.632 4.592 1.00 0.00 O +ATOM 243 CB HIS A 19 -3.158 0.612 6.378 1.00 0.00 C +ATOM 244 CG HIS A 19 -3.953 0.320 7.628 1.00 0.00 C +ATOM 245 ND1 HIS A 19 -5.106 1.008 7.961 1.00 0.00 N +ATOM 246 CD2 HIS A 19 -3.748 -0.593 8.621 1.00 0.00 C +ATOM 247 CE1 HIS A 19 -5.567 0.523 9.105 1.00 0.00 C +ATOM 248 NE2 HIS A 19 -4.724 -0.468 9.513 1.00 0.00 N +ATOM 249 H HIS A 19 -1.413 -0.744 7.556 1.00 0.00 H +ATOM 250 HA HIS A 19 -3.260 -1.317 5.476 1.00 0.00 H +ATOM 251 HB2 HIS A 19 -2.397 1.358 6.609 1.00 0.00 H +ATOM 252 HB3 HIS A 19 -3.820 1.053 5.633 1.00 0.00 H +ATOM 253 HD1 HIS A 19 -5.522 1.745 7.428 1.00 0.00 H +ATOM 254 HD2 HIS A 19 -2.924 -1.304 8.673 1.00 0.00 H +ATOM 255 HE1 HIS A 19 -6.463 0.858 9.628 1.00 0.00 H +ATOM 256 N TYR A 20 -1.855 -1.031 3.479 1.00 0.00 N +ATOM 257 CA TYR A 20 -1.119 -0.823 2.245 1.00 0.00 C +ATOM 258 C TYR A 20 -2.060 -0.431 1.104 1.00 0.00 C +ATOM 259 O TYR A 20 -3.277 -0.560 1.227 1.00 0.00 O +ATOM 260 CB TYR A 20 -0.465 -2.166 1.912 1.00 0.00 C +ATOM 261 CG TYR A 20 -1.359 -3.110 1.106 1.00 0.00 C +ATOM 262 CD1 TYR A 20 -2.409 -3.760 1.721 1.00 0.00 C +ATOM 263 CD2 TYR A 20 -1.115 -3.312 -0.238 1.00 0.00 C +ATOM 264 CE1 TYR A 20 -3.250 -4.649 0.963 1.00 0.00 C +ATOM 265 CE2 TYR A 20 -1.956 -4.201 -0.997 1.00 0.00 C +ATOM 266 CZ TYR A 20 -2.982 -4.826 -0.359 1.00 0.00 C +ATOM 267 OH TYR A 20 -3.776 -5.665 -1.076 1.00 0.00 O +ATOM 268 H TYR A 20 -2.528 -1.770 3.451 1.00 0.00 H +ATOM 269 HA TYR A 20 -0.405 -0.016 2.410 1.00 0.00 H +ATOM 270 HB2 TYR A 20 0.452 -1.983 1.351 1.00 0.00 H +ATOM 271 HB3 TYR A 20 -0.178 -2.658 2.841 1.00 0.00 H +ATOM 272 HD1 TYR A 20 -2.602 -3.600 2.782 1.00 0.00 H +ATOM 273 HD2 TYR A 20 -0.285 -2.799 -0.724 1.00 0.00 H +ATOM 274 HE1 TYR A 20 -4.083 -5.168 1.437 1.00 0.00 H +ATOM 275 HE2 TYR A 20 -1.774 -4.370 -2.058 1.00 0.00 H +ATOM 276 HH TYR A 20 -3.252 -6.080 -1.820 1.00 0.00 H +ATOM 277 N TYR A 21 -1.461 0.040 0.020 1.00 0.00 N +ATOM 278 CA TYR A 21 -2.231 0.451 -1.142 1.00 0.00 C +ATOM 279 C TYR A 21 -1.863 -0.386 -2.368 1.00 0.00 C +ATOM 280 O TYR A 21 -0.692 -0.476 -2.734 1.00 0.00 O +ATOM 281 CB TYR A 21 -1.852 1.910 -1.403 1.00 0.00 C +ATOM 282 CG TYR A 21 -2.063 2.833 -0.201 1.00 0.00 C +ATOM 283 CD1 TYR A 21 -3.331 3.022 0.310 1.00 0.00 C +ATOM 284 CD2 TYR A 21 -0.984 3.476 0.372 1.00 0.00 C +ATOM 285 CE1 TYR A 21 -3.529 3.891 1.442 1.00 0.00 C +ATOM 286 CE2 TYR A 21 -1.182 4.345 1.504 1.00 0.00 C +ATOM 287 CZ TYR A 21 -2.445 4.509 1.983 1.00 0.00 C +ATOM 288 OH TYR A 21 -2.632 5.329 3.051 1.00 0.00 O +ATOM 289 H TYR A 21 -0.471 0.142 -0.072 1.00 0.00 H +ATOM 290 HA TYR A 21 -3.287 0.305 -0.914 1.00 0.00 H +ATOM 291 HB2 TYR A 21 -0.805 1.955 -1.704 1.00 0.00 H +ATOM 292 HB3 TYR A 21 -2.440 2.283 -2.242 1.00 0.00 H +ATOM 293 HD1 TYR A 21 -4.182 2.514 -0.143 1.00 0.00 H +ATOM 294 HD2 TYR A 21 0.017 3.327 -0.031 1.00 0.00 H +ATOM 295 HE1 TYR A 21 -4.525 4.049 1.855 1.00 0.00 H +ATOM 296 HE2 TYR A 21 -0.340 4.859 1.966 1.00 0.00 H +ATOM 297 HH TYR A 21 -2.513 4.816 3.901 1.00 0.00 H +ATOM 298 N TYR A 22 -2.885 -0.978 -2.968 1.00 0.00 N +ATOM 299 CA TYR A 22 -2.684 -1.806 -4.146 1.00 0.00 C +ATOM 300 C TYR A 22 -3.045 -1.041 -5.421 1.00 0.00 C +ATOM 301 O TYR A 22 -3.733 -0.023 -5.365 1.00 0.00 O +ATOM 302 CB TYR A 22 -3.634 -2.995 -3.992 1.00 0.00 C +ATOM 303 CG TYR A 22 -4.004 -3.671 -5.315 1.00 0.00 C +ATOM 304 CD1 TYR A 22 -3.213 -4.684 -5.817 1.00 0.00 C +ATOM 305 CD2 TYR A 22 -5.128 -3.266 -6.005 1.00 0.00 C +ATOM 306 CE1 TYR A 22 -3.561 -5.320 -7.061 1.00 0.00 C +ATOM 307 CE2 TYR A 22 -5.477 -3.902 -7.249 1.00 0.00 C +ATOM 308 CZ TYR A 22 -4.676 -4.897 -7.716 1.00 0.00 C +ATOM 309 OH TYR A 22 -5.005 -5.498 -8.891 1.00 0.00 O +ATOM 310 H TYR A 22 -3.834 -0.900 -2.664 1.00 0.00 H +ATOM 311 HA TYR A 22 -1.632 -2.086 -4.184 1.00 0.00 H +ATOM 312 HB2 TYR A 22 -3.173 -3.733 -3.336 1.00 0.00 H +ATOM 313 HB3 TYR A 22 -4.546 -2.658 -3.501 1.00 0.00 H +ATOM 314 HD1 TYR A 22 -2.325 -5.004 -5.271 1.00 0.00 H +ATOM 315 HD2 TYR A 22 -5.753 -2.466 -5.608 1.00 0.00 H +ATOM 316 HE1 TYR A 22 -2.946 -6.122 -7.469 1.00 0.00 H +ATOM 317 HE2 TYR A 22 -6.362 -3.592 -7.805 1.00 0.00 H +ATOM 318 HH TYR A 22 -4.380 -5.201 -9.613 1.00 0.00 H +ATOM 319 N ASP A 23 -2.565 -1.562 -6.541 1.00 0.00 N +ATOM 320 CA ASP A 23 -2.828 -0.941 -7.828 1.00 0.00 C +ATOM 321 C ASP A 23 -3.652 -1.898 -8.692 1.00 0.00 C +ATOM 322 O ASP A 23 -3.277 -3.055 -8.874 1.00 0.00 O +ATOM 323 CB ASP A 23 -1.525 -0.638 -8.570 1.00 0.00 C +ATOM 324 CG ASP A 23 -1.147 0.843 -8.635 1.00 0.00 C +ATOM 325 OD1 ASP A 23 -2.079 1.671 -8.539 1.00 0.00 O +ATOM 326 OD2 ASP A 23 0.064 1.114 -8.779 1.00 0.00 O +ATOM 327 H ASP A 23 -2.006 -2.391 -6.578 1.00 0.00 H +ATOM 328 HA ASP A 23 -3.364 -0.021 -7.598 1.00 0.00 H +ATOM 329 HB2 ASP A 23 -0.714 -1.183 -8.087 1.00 0.00 H +ATOM 330 HB3 ASP A 23 -1.606 -1.022 -9.587 1.00 0.00 H +ATOM 331 N LEU A 24 -4.760 -1.380 -9.201 1.00 0.00 N +ATOM 332 CA LEU A 24 -5.640 -2.174 -10.041 1.00 0.00 C +ATOM 333 C LEU A 24 -5.227 -2.009 -11.505 1.00 0.00 C +ATOM 334 O LEU A 24 -5.436 -2.908 -12.317 1.00 0.00 O +ATOM 335 CB LEU A 24 -7.104 -1.817 -9.772 1.00 0.00 C +ATOM 336 CG LEU A 24 -7.365 -0.399 -9.259 1.00 0.00 C +ATOM 337 CD1 LEU A 24 -8.762 0.080 -9.658 1.00 0.00 C +ATOM 338 CD2 LEU A 24 -7.139 -0.312 -7.748 1.00 0.00 C +ATOM 339 H LEU A 24 -5.058 -0.438 -9.048 1.00 0.00 H +ATOM 340 HA LEU A 24 -5.507 -3.218 -9.759 1.00 0.00 H +ATOM 341 HB2 LEU A 24 -7.667 -1.958 -10.694 1.00 0.00 H +ATOM 342 HB3 LEU A 24 -7.502 -2.524 -9.044 1.00 0.00 H +ATOM 343 HG LEU A 24 -6.647 0.273 -9.731 1.00 0.00 H +ATOM 344 HD11 LEU A 24 -9.268 -0.705 -10.221 1.00 0.00 H +ATOM 345 HD12 LEU A 24 -9.337 0.312 -8.761 1.00 0.00 H +ATOM 346 HD13 LEU A 24 -8.677 0.974 -10.276 1.00 0.00 H +ATOM 347 HD21 LEU A 24 -6.644 0.630 -7.509 1.00 0.00 H +ATOM 348 HD22 LEU A 24 -8.099 -0.359 -7.234 1.00 0.00 H +ATOM 349 HD23 LEU A 24 -6.512 -1.143 -7.426 1.00 0.00 H +ATOM 350 N ILE A 25 -4.646 -0.854 -11.796 1.00 0.00 N +ATOM 351 CA ILE A 25 -4.201 -0.561 -13.147 1.00 0.00 C +ATOM 352 C ILE A 25 -3.644 -1.835 -13.785 1.00 0.00 C +ATOM 353 O ILE A 25 -4.223 -2.364 -14.732 1.00 0.00 O +ATOM 354 CB ILE A 25 -3.213 0.608 -13.144 1.00 0.00 C +ATOM 355 CG1 ILE A 25 -3.873 1.883 -12.615 1.00 0.00 C +ATOM 356 CG2 ILE A 25 -2.601 0.813 -14.531 1.00 0.00 C +ATOM 357 CD1 ILE A 25 -3.411 2.189 -11.189 1.00 0.00 C +ATOM 358 H ILE A 25 -4.479 -0.128 -11.129 1.00 0.00 H +ATOM 359 HA ILE A 25 -5.074 -0.243 -13.717 1.00 0.00 H +ATOM 360 HB ILE A 25 -2.396 0.363 -12.465 1.00 0.00 H +ATOM 361 HG12 ILE A 25 -3.630 2.721 -13.268 1.00 0.00 H +ATOM 362 HG13 ILE A 25 -4.957 1.769 -12.633 1.00 0.00 H +ATOM 363 HG21 ILE A 25 -2.116 1.788 -14.574 1.00 0.00 H +ATOM 364 HG22 ILE A 25 -1.865 0.032 -14.723 1.00 0.00 H +ATOM 365 HG23 ILE A 25 -3.386 0.764 -15.286 1.00 0.00 H +ATOM 366 HD11 ILE A 25 -4.220 2.672 -10.641 1.00 0.00 H +ATOM 367 HD12 ILE A 25 -3.136 1.260 -10.689 1.00 0.00 H +ATOM 368 HD13 ILE A 25 -2.547 2.853 -11.222 1.00 0.00 H +ATOM 369 N SER A 26 -2.525 -2.291 -13.240 1.00 0.00 N +ATOM 370 CA SER A 26 -1.884 -3.493 -13.743 1.00 0.00 C +ATOM 371 C SER A 26 -1.767 -4.531 -12.625 1.00 0.00 C +ATOM 372 O SER A 26 -1.930 -5.727 -12.864 1.00 0.00 O +ATOM 373 CB SER A 26 -0.503 -3.179 -14.322 1.00 0.00 C +ATOM 374 OG SER A 26 -0.441 -3.433 -15.723 1.00 0.00 O +ATOM 375 H SER A 26 -2.060 -1.854 -12.470 1.00 0.00 H +ATOM 376 HA SER A 26 -2.536 -3.858 -14.537 1.00 0.00 H +ATOM 377 HB2 SER A 26 -0.259 -2.134 -14.132 1.00 0.00 H +ATOM 378 HB3 SER A 26 0.250 -3.780 -13.811 1.00 0.00 H +ATOM 379 HG SER A 26 0.385 -3.023 -16.109 1.00 0.00 H +ATOM 380 N GLY A 27 -1.484 -4.036 -11.429 1.00 0.00 N +ATOM 381 CA GLY A 27 -1.343 -4.906 -10.273 1.00 0.00 C +ATOM 382 C GLY A 27 -0.045 -4.611 -9.520 1.00 0.00 C +ATOM 383 O GLY A 27 0.751 -5.515 -9.270 1.00 0.00 O +ATOM 384 H GLY A 27 -1.353 -3.063 -11.243 1.00 0.00 H +ATOM 385 HA2 GLY A 27 -2.194 -4.770 -9.606 1.00 0.00 H +ATOM 386 HA3 GLY A 27 -1.353 -5.948 -10.594 1.00 0.00 H +ATOM 387 N ALA A 28 0.130 -3.343 -9.180 1.00 0.00 N +ATOM 388 CA ALA A 28 1.318 -2.917 -8.460 1.00 0.00 C +ATOM 389 C ALA A 28 0.999 -2.826 -6.967 1.00 0.00 C +ATOM 390 O ALA A 28 -0.153 -2.979 -6.564 1.00 0.00 O +ATOM 391 CB ALA A 28 1.814 -1.588 -9.033 1.00 0.00 C +ATOM 392 H ALA A 28 -0.523 -2.613 -9.387 1.00 0.00 H +ATOM 393 HA ALA A 28 2.087 -3.674 -8.614 1.00 0.00 H +ATOM 394 HB1 ALA A 28 2.456 -1.095 -8.304 1.00 0.00 H +ATOM 395 HB2 ALA A 28 2.378 -1.774 -9.947 1.00 0.00 H +ATOM 396 HB3 ALA A 28 0.960 -0.948 -9.257 1.00 0.00 H +ATOM 397 N SER A 29 2.041 -2.577 -6.186 1.00 0.00 N +ATOM 398 CA SER A 29 1.886 -2.463 -4.746 1.00 0.00 C +ATOM 399 C SER A 29 2.949 -1.519 -4.178 1.00 0.00 C +ATOM 400 O SER A 29 4.043 -1.408 -4.729 1.00 0.00 O +ATOM 401 CB SER A 29 1.979 -3.833 -4.072 1.00 0.00 C +ATOM 402 OG SER A 29 3.239 -4.457 -4.302 1.00 0.00 O +ATOM 403 H SER A 29 2.974 -2.453 -6.522 1.00 0.00 H +ATOM 404 HA SER A 29 0.888 -2.051 -4.594 1.00 0.00 H +ATOM 405 HB2 SER A 29 1.820 -3.721 -2.999 1.00 0.00 H +ATOM 406 HB3 SER A 29 1.182 -4.476 -4.446 1.00 0.00 H +ATOM 407 HG SER A 29 3.733 -3.973 -5.024 1.00 0.00 H +ATOM 408 N GLN A 30 2.589 -0.864 -3.084 1.00 0.00 N +ATOM 409 CA GLN A 30 3.498 0.066 -2.436 1.00 0.00 C +ATOM 410 C GLN A 30 3.020 0.371 -1.015 1.00 0.00 C +ATOM 411 O GLN A 30 1.818 0.416 -0.756 1.00 0.00 O +ATOM 412 CB GLN A 30 3.643 1.351 -3.254 1.00 0.00 C +ATOM 413 CG GLN A 30 4.021 2.531 -2.358 1.00 0.00 C +ATOM 414 CD GLN A 30 4.541 3.706 -3.189 1.00 0.00 C +ATOM 415 OE1 GLN A 30 5.140 3.540 -4.239 1.00 0.00 O +ATOM 416 NE2 GLN A 30 4.280 4.899 -2.662 1.00 0.00 N +ATOM 417 H GLN A 30 1.697 -0.961 -2.643 1.00 0.00 H +ATOM 418 HA GLN A 30 4.460 -0.446 -2.401 1.00 0.00 H +ATOM 419 HB2 GLN A 30 4.404 1.213 -4.022 1.00 0.00 H +ATOM 420 HB3 GLN A 30 2.706 1.566 -3.769 1.00 0.00 H +ATOM 421 HG2 GLN A 30 3.153 2.847 -1.780 1.00 0.00 H +ATOM 422 HG3 GLN A 30 4.784 2.221 -1.644 1.00 0.00 H +ATOM 423 HE21 GLN A 30 3.784 4.966 -1.797 1.00 0.00 H +ATOM 424 HE22 GLN A 30 4.579 5.730 -3.132 1.00 0.00 H +ATOM 425 N TRP A 31 3.986 0.574 -0.131 1.00 0.00 N +ATOM 426 CA TRP A 31 3.679 0.874 1.257 1.00 0.00 C +ATOM 427 C TRP A 31 3.269 2.345 1.343 1.00 0.00 C +ATOM 428 O TRP A 31 2.164 2.660 1.783 1.00 0.00 O +ATOM 429 CB TRP A 31 4.860 0.529 2.166 1.00 0.00 C +ATOM 430 CG TRP A 31 5.554 -0.788 1.813 1.00 0.00 C +ATOM 431 CD1 TRP A 31 6.823 -0.973 1.423 1.00 0.00 C +ATOM 432 CD2 TRP A 31 4.962 -2.104 1.833 1.00 0.00 C +ATOM 433 NE1 TRP A 31 7.091 -2.307 1.191 1.00 0.00 N +ATOM 434 CE2 TRP A 31 5.923 -3.016 1.449 1.00 0.00 C +ATOM 435 CE3 TRP A 31 3.658 -2.510 2.165 1.00 0.00 C +ATOM 436 CZ2 TRP A 31 5.682 -4.393 1.360 1.00 0.00 C +ATOM 437 CZ3 TRP A 31 3.432 -3.888 2.072 1.00 0.00 C +ATOM 438 CH2 TRP A 31 4.389 -4.820 1.686 1.00 0.00 C +ATOM 439 H TRP A 31 4.961 0.536 -0.350 1.00 0.00 H +ATOM 440 HA TRP A 31 2.849 0.237 1.560 1.00 0.00 H +ATOM 441 HB2 TRP A 31 5.591 1.337 2.118 1.00 0.00 H +ATOM 442 HB3 TRP A 31 4.509 0.478 3.197 1.00 0.00 H +ATOM 443 HD1 TRP A 31 7.551 -0.172 1.304 1.00 0.00 H +ATOM 444 HE1 TRP A 31 8.043 -2.727 0.867 1.00 0.00 H +ATOM 445 HE3 TRP A 31 2.881 -1.809 2.472 1.00 0.00 H +ATOM 446 HZ2 TRP A 31 6.458 -5.093 1.054 1.00 0.00 H +ATOM 447 HZ3 TRP A 31 2.437 -4.257 2.318 1.00 0.00 H +ATOM 448 HH2 TRP A 31 4.134 -5.879 1.638 1.00 0.00 H +ATOM 449 N GLU A 32 4.179 3.207 0.915 1.00 0.00 N +ATOM 450 CA GLU A 32 3.926 4.638 0.938 1.00 0.00 C +ATOM 451 C GLU A 32 2.588 4.950 0.264 1.00 0.00 C +ATOM 452 O GLU A 32 2.014 4.096 -0.410 1.00 0.00 O +ATOM 453 CB GLU A 32 5.068 5.408 0.274 1.00 0.00 C +ATOM 454 CG GLU A 32 5.873 6.197 1.310 1.00 0.00 C +ATOM 455 CD GLU A 32 6.465 7.466 0.693 1.00 0.00 C +ATOM 456 OE1 GLU A 32 7.398 7.317 -0.125 1.00 0.00 O +ATOM 457 OE2 GLU A 32 5.971 8.556 1.054 1.00 0.00 O +ATOM 458 H GLU A 32 5.075 2.943 0.558 1.00 0.00 H +ATOM 459 HA GLU A 32 3.879 4.907 1.994 1.00 0.00 H +ATOM 460 HB2 GLU A 32 5.725 4.713 -0.249 1.00 0.00 H +ATOM 461 HB3 GLU A 32 4.665 6.090 -0.475 1.00 0.00 H +ATOM 462 HG2 GLU A 32 5.230 6.462 2.149 1.00 0.00 H +ATOM 463 HG3 GLU A 32 6.673 5.572 1.706 1.00 0.00 H +ATOM 464 N LYS A 33 2.131 6.177 0.468 1.00 0.00 N +ATOM 465 CA LYS A 33 0.873 6.613 -0.112 1.00 0.00 C +ATOM 466 C LYS A 33 1.124 7.146 -1.524 1.00 0.00 C +ATOM 467 O LYS A 33 2.083 7.882 -1.752 1.00 0.00 O +ATOM 468 CB LYS A 33 0.177 7.617 0.810 1.00 0.00 C +ATOM 469 CG LYS A 33 -1.299 7.771 0.438 1.00 0.00 C +ATOM 470 CD LYS A 33 -1.984 8.808 1.331 1.00 0.00 C +ATOM 471 CE LYS A 33 -2.112 8.297 2.767 1.00 0.00 C +ATOM 472 NZ LYS A 33 -1.492 9.250 3.714 1.00 0.00 N +ATOM 473 H LYS A 33 2.605 6.866 1.017 1.00 0.00 H +ATOM 474 HA LYS A 33 0.225 5.739 -0.183 1.00 0.00 H +ATOM 475 HB2 LYS A 33 0.263 7.287 1.845 1.00 0.00 H +ATOM 476 HB3 LYS A 33 0.675 8.584 0.742 1.00 0.00 H +ATOM 477 HG2 LYS A 33 -1.386 8.070 -0.606 1.00 0.00 H +ATOM 478 HG3 LYS A 33 -1.805 6.810 0.537 1.00 0.00 H +ATOM 479 HD2 LYS A 33 -1.412 9.736 1.321 1.00 0.00 H +ATOM 480 HD3 LYS A 33 -2.972 9.039 0.933 1.00 0.00 H +ATOM 481 HE2 LYS A 33 -3.164 8.158 3.017 1.00 0.00 H +ATOM 482 HE3 LYS A 33 -1.632 7.322 2.856 1.00 0.00 H +ATOM 483 HZ1 LYS A 33 -0.631 8.871 4.053 1.00 0.00 H +ATOM 484 HZ2 LYS A 33 -1.314 10.116 3.246 1.00 0.00 H +ATOM 485 HZ3 LYS A 33 -2.113 9.408 4.482 1.00 0.00 H +ATOM 486 N PRO A 34 0.223 6.744 -2.459 1.00 0.00 N +ATOM 487 CA PRO A 34 0.338 7.173 -3.843 1.00 0.00 C +ATOM 488 C PRO A 34 -0.096 8.632 -4.002 1.00 0.00 C +ATOM 489 O PRO A 34 -0.782 9.177 -3.139 1.00 0.00 O +ATOM 490 CB PRO A 34 -0.532 6.206 -4.629 1.00 0.00 C +ATOM 491 CG PRO A 34 -1.464 5.564 -3.613 1.00 0.00 C +ATOM 492 CD PRO A 34 -0.925 5.873 -2.226 1.00 0.00 C +ATOM 493 HA PRO A 34 1.292 7.138 -4.139 1.00 0.00 H +ATOM 494 HB2 PRO A 34 -1.096 6.727 -5.402 1.00 0.00 H +ATOM 495 HB3 PRO A 34 0.076 5.453 -5.131 1.00 0.00 H +ATOM 496 HG2 PRO A 34 -2.476 5.953 -3.725 1.00 0.00 H +ATOM 497 HG3 PRO A 34 -1.517 4.487 -3.771 1.00 0.00 H +ATOM 498 HD2 PRO A 34 -1.677 6.366 -1.610 1.00 0.00 H +ATOM 499 HD3 PRO A 34 -0.632 4.962 -1.704 1.00 0.00 H +ATOM 500 N GLU A 35 0.322 9.222 -5.112 1.00 0.00 N +ATOM 501 CA GLU A 35 -0.015 10.607 -5.396 1.00 0.00 C +ATOM 502 C GLU A 35 -1.533 10.780 -5.467 1.00 0.00 C +ATOM 503 O GLU A 35 -2.220 10.001 -6.127 1.00 0.00 O +ATOM 504 CB GLU A 35 0.653 11.080 -6.688 1.00 0.00 C +ATOM 505 CG GLU A 35 1.382 12.408 -6.475 1.00 0.00 C +ATOM 506 CD GLU A 35 2.823 12.174 -6.016 1.00 0.00 C +ATOM 507 OE1 GLU A 35 3.634 11.769 -6.876 1.00 0.00 O +ATOM 508 OE2 GLU A 35 3.081 12.406 -4.815 1.00 0.00 O +ATOM 509 H GLU A 35 0.880 8.772 -5.809 1.00 0.00 H +ATOM 510 HA GLU A 35 0.384 11.179 -4.558 1.00 0.00 H +ATOM 511 HB2 GLU A 35 1.358 10.325 -7.035 1.00 0.00 H +ATOM 512 HB3 GLU A 35 -0.099 11.196 -7.469 1.00 0.00 H +ATOM 513 HG2 GLU A 35 1.381 12.981 -7.402 1.00 0.00 H +ATOM 514 HG3 GLU A 35 0.852 13.003 -5.731 1.00 0.00 H +ATOM 515 N GLY A 36 -2.013 11.806 -4.779 1.00 0.00 N +ATOM 516 CA GLY A 36 -3.438 12.091 -4.757 1.00 0.00 C +ATOM 517 C GLY A 36 -4.255 10.798 -4.704 1.00 0.00 C +ATOM 518 O GLY A 36 -5.075 10.541 -5.584 1.00 0.00 O +ATOM 519 H GLY A 36 -1.448 12.434 -4.245 1.00 0.00 H +ATOM 520 HA2 GLY A 36 -3.675 12.710 -3.892 1.00 0.00 H +ATOM 521 HA3 GLY A 36 -3.712 12.662 -5.643 1.00 0.00 H +ATOM 522 N PHE A 37 -4.002 10.018 -3.663 1.00 0.00 N +ATOM 523 CA PHE A 37 -4.704 8.759 -3.484 1.00 0.00 C +ATOM 524 C PHE A 37 -6.183 8.995 -3.167 1.00 0.00 C +ATOM 525 O PHE A 37 -7.059 8.444 -3.832 1.00 0.00 O +ATOM 526 CB PHE A 37 -4.049 8.046 -2.299 1.00 0.00 C +ATOM 527 CG PHE A 37 -4.853 6.860 -1.764 1.00 0.00 C +ATOM 528 CD1 PHE A 37 -5.389 5.957 -2.629 1.00 0.00 C +ATOM 529 CD2 PHE A 37 -5.032 6.708 -0.425 1.00 0.00 C +ATOM 530 CE1 PHE A 37 -6.136 4.855 -2.132 1.00 0.00 C +ATOM 531 CE2 PHE A 37 -5.779 5.606 0.072 1.00 0.00 C +ATOM 532 CZ PHE A 37 -6.315 4.703 -0.793 1.00 0.00 C +ATOM 533 H PHE A 37 -3.334 10.235 -2.951 1.00 0.00 H +ATOM 534 HA PHE A 37 -4.619 8.205 -4.419 1.00 0.00 H +ATOM 535 HB2 PHE A 37 -3.061 7.697 -2.599 1.00 0.00 H +ATOM 536 HB3 PHE A 37 -3.901 8.765 -1.492 1.00 0.00 H +ATOM 537 HD1 PHE A 37 -5.246 6.078 -3.702 1.00 0.00 H +ATOM 538 HD2 PHE A 37 -4.603 7.431 0.268 1.00 0.00 H +ATOM 539 HE1 PHE A 37 -6.565 4.132 -2.825 1.00 0.00 H +ATOM 540 HE2 PHE A 37 -5.922 5.484 1.145 1.00 0.00 H +ATOM 541 HZ PHE A 37 -6.888 3.858 -0.412 1.00 0.00 H +ATOM 542 N GLN A 38 -6.414 9.815 -2.152 1.00 0.00 N +ATOM 543 CA GLN A 38 -7.771 10.130 -1.740 1.00 0.00 C +ATOM 544 C GLN A 38 -8.641 8.873 -1.770 1.00 0.00 C +ATOM 545 O GLN A 38 -9.326 8.611 -2.759 1.00 0.00 O +ATOM 546 CB GLN A 38 -8.368 11.232 -2.617 1.00 0.00 C +ATOM 547 CG GLN A 38 -8.171 10.918 -4.102 1.00 0.00 C +ATOM 548 CD GLN A 38 -8.841 11.977 -4.980 1.00 0.00 C +ATOM 549 OE1 GLN A 38 -8.213 12.634 -5.794 1.00 0.00 O +ATOM 550 NE2 GLN A 38 -10.148 12.106 -4.770 1.00 0.00 N +ATOM 551 H GLN A 38 -5.695 10.258 -1.617 1.00 0.00 H +ATOM 552 HA GLN A 38 -7.685 10.496 -0.717 1.00 0.00 H +ATOM 553 HB2 GLN A 38 -9.432 11.337 -2.402 1.00 0.00 H +ATOM 554 HB3 GLN A 38 -7.899 12.187 -2.378 1.00 0.00 H +ATOM 555 HG2 GLN A 38 -7.106 10.873 -4.329 1.00 0.00 H +ATOM 556 HG3 GLN A 38 -8.588 9.937 -4.328 1.00 0.00 H +ATOM 557 HE21 GLN A 38 -10.603 11.536 -4.086 1.00 0.00 H +ATOM 558 HE22 GLN A 38 -10.675 12.773 -5.296 1.00 0.00 H +ATOM 559 N GLY A 39 -8.587 8.127 -0.676 1.00 0.00 N +ATOM 560 CA GLY A 39 -9.362 6.903 -0.565 1.00 0.00 C +ATOM 561 C GLY A 39 -9.613 6.544 0.900 1.00 0.00 C +ATOM 562 O GLY A 39 -8.961 5.654 1.445 1.00 0.00 O +ATOM 563 H GLY A 39 -8.028 8.347 0.123 1.00 0.00 H +ATOM 564 HA2 GLY A 39 -10.314 7.023 -1.082 1.00 0.00 H +ATOM 565 HA3 GLY A 39 -8.833 6.088 -1.058 1.00 0.00 H +ATOM 566 N ASP A 40 -10.559 7.254 1.497 1.00 0.00 N +ATOM 567 CA ASP A 40 -10.903 7.021 2.889 1.00 0.00 C +ATOM 568 C ASP A 40 -11.978 8.022 3.318 1.00 0.00 C +ATOM 569 O ASP A 40 -11.668 9.156 3.679 1.00 0.00 O +ATOM 570 CB ASP A 40 -9.688 7.215 3.798 1.00 0.00 C +ATOM 571 CG ASP A 40 -9.934 6.923 5.279 1.00 0.00 C +ATOM 572 OD1 ASP A 40 -9.776 5.743 5.659 1.00 0.00 O +ATOM 573 OD2 ASP A 40 -10.275 7.887 5.999 1.00 0.00 O +ATOM 574 H ASP A 40 -11.084 7.976 1.047 1.00 0.00 H +ATOM 575 HA ASP A 40 -11.254 5.990 2.929 1.00 0.00 H +ATOM 576 HB2 ASP A 40 -8.883 6.570 3.445 1.00 0.00 H +ATOM 577 HB3 ASP A 40 -9.339 8.243 3.699 1.00 0.00 H +ATOM 578 N LEU A 41 -13.221 7.565 3.266 1.00 0.00 N +ATOM 579 CA LEU A 41 -14.344 8.406 3.644 1.00 0.00 C +ATOM 580 C LEU A 41 -15.499 7.523 4.120 1.00 0.00 C +ATOM 581 O LEU A 41 -15.737 6.453 3.563 1.00 0.00 O +ATOM 582 CB LEU A 41 -14.720 9.347 2.497 1.00 0.00 C +ATOM 583 CG LEU A 41 -15.900 10.285 2.759 1.00 0.00 C +ATOM 584 CD1 LEU A 41 -15.431 11.585 3.415 1.00 0.00 C +ATOM 585 CD2 LEU A 41 -16.690 10.543 1.474 1.00 0.00 C +ATOM 586 H LEU A 41 -13.466 6.641 2.972 1.00 0.00 H +ATOM 587 HA LEU A 41 -14.019 9.029 4.478 1.00 0.00 H +ATOM 588 HB2 LEU A 41 -13.848 9.952 2.249 1.00 0.00 H +ATOM 589 HB3 LEU A 41 -14.949 8.743 1.619 1.00 0.00 H +ATOM 590 HG LEU A 41 -16.576 9.796 3.460 1.00 0.00 H +ATOM 591 HD11 LEU A 41 -14.800 12.137 2.718 1.00 0.00 H +ATOM 592 HD12 LEU A 41 -16.298 12.192 3.679 1.00 0.00 H +ATOM 593 HD13 LEU A 41 -14.862 11.353 4.315 1.00 0.00 H +ATOM 594 HD21 LEU A 41 -17.720 10.212 1.608 1.00 0.00 H +ATOM 595 HD22 LEU A 41 -16.678 11.610 1.249 1.00 0.00 H +ATOM 596 HD23 LEU A 41 -16.235 9.993 0.651 1.00 0.00 H +ATOM 597 N LYS A 42 -16.187 8.005 5.145 1.00 0.00 N +ATOM 598 CA LYS A 42 -17.312 7.273 5.701 1.00 0.00 C +ATOM 599 C LYS A 42 -16.896 5.823 5.955 1.00 0.00 C +ATOM 600 O LYS A 42 -17.377 4.909 5.287 1.00 0.00 O +ATOM 601 CB LYS A 42 -18.541 7.411 4.799 1.00 0.00 C +ATOM 602 CG LYS A 42 -19.304 8.701 5.106 1.00 0.00 C +ATOM 603 CD LYS A 42 -20.681 8.396 5.698 1.00 0.00 C +ATOM 604 CE LYS A 42 -21.260 9.625 6.402 1.00 0.00 C +ATOM 605 NZ LYS A 42 -22.662 9.849 5.984 1.00 0.00 N +ATOM 606 H LYS A 42 -15.988 8.877 5.592 1.00 0.00 H +ATOM 607 HA LYS A 42 -17.561 7.734 6.657 1.00 0.00 H +ATOM 608 HB2 LYS A 42 -18.232 7.407 3.754 1.00 0.00 H +ATOM 609 HB3 LYS A 42 -19.198 6.553 4.940 1.00 0.00 H +ATOM 610 HG2 LYS A 42 -18.730 9.310 5.805 1.00 0.00 H +ATOM 611 HG3 LYS A 42 -19.418 9.286 4.193 1.00 0.00 H +ATOM 612 HD2 LYS A 42 -21.358 8.074 4.906 1.00 0.00 H +ATOM 613 HD3 LYS A 42 -20.602 7.571 6.405 1.00 0.00 H +ATOM 614 HE2 LYS A 42 -21.214 9.488 7.482 1.00 0.00 H +ATOM 615 HE3 LYS A 42 -20.659 10.503 6.166 1.00 0.00 H +ATOM 616 HZ1 LYS A 42 -22.759 9.634 5.012 1.00 0.00 H +ATOM 617 HZ2 LYS A 42 -23.267 9.258 6.518 1.00 0.00 H +ATOM 618 HZ3 LYS A 42 -22.908 10.806 6.141 1.00 0.00 H +ATOM 619 N LYS A 43 -16.006 5.657 6.923 1.00 0.00 N +ATOM 620 CA LYS A 43 -15.520 4.334 7.274 1.00 0.00 C +ATOM 621 C LYS A 43 -16.633 3.556 7.978 1.00 0.00 C +ATOM 622 O LYS A 43 -17.121 3.974 9.026 1.00 0.00 O +ATOM 623 CB LYS A 43 -14.230 4.436 8.091 1.00 0.00 C +ATOM 624 CG LYS A 43 -14.494 5.080 9.454 1.00 0.00 C +ATOM 625 CD LYS A 43 -14.250 4.082 10.588 1.00 0.00 C +ATOM 626 CE LYS A 43 -12.903 4.341 11.266 1.00 0.00 C +ATOM 627 NZ LYS A 43 -12.927 3.862 12.666 1.00 0.00 N +ATOM 628 H LYS A 43 -15.620 6.406 7.462 1.00 0.00 H +ATOM 629 HA LYS A 43 -15.273 3.820 6.345 1.00 0.00 H +ATOM 630 HB2 LYS A 43 -13.803 3.443 8.230 1.00 0.00 H +ATOM 631 HB3 LYS A 43 -13.494 5.025 7.543 1.00 0.00 H +ATOM 632 HG2 LYS A 43 -13.847 5.947 9.582 1.00 0.00 H +ATOM 633 HG3 LYS A 43 -15.522 5.440 9.497 1.00 0.00 H +ATOM 634 HD2 LYS A 43 -15.052 4.158 11.323 1.00 0.00 H +ATOM 635 HD3 LYS A 43 -14.275 3.066 10.194 1.00 0.00 H +ATOM 636 HE2 LYS A 43 -12.110 3.835 10.716 1.00 0.00 H +ATOM 637 HE3 LYS A 43 -12.677 5.407 11.243 1.00 0.00 H +ATOM 638 HZ1 LYS A 43 -13.756 4.194 13.117 1.00 0.00 H +ATOM 639 HZ2 LYS A 43 -12.919 2.862 12.677 1.00 0.00 H +ATOM 640 HZ3 LYS A 43 -12.123 4.208 13.150 1.00 0.00 H +ATOM 641 N THR A 44 -17.003 2.437 7.372 1.00 0.00 N +ATOM 642 CA THR A 44 -18.050 1.596 7.927 1.00 0.00 C +ATOM 643 C THR A 44 -19.308 2.423 8.201 1.00 0.00 C +ATOM 644 O THR A 44 -19.679 2.632 9.355 1.00 0.00 O +ATOM 645 CB THR A 44 -17.492 0.907 9.174 1.00 0.00 C +ATOM 646 OG1 THR A 44 -16.539 -0.019 8.662 1.00 0.00 O +ATOM 647 CG2 THR A 44 -18.531 0.027 9.871 1.00 0.00 C +ATOM 648 H THR A 44 -16.602 2.103 6.519 1.00 0.00 H +ATOM 649 HA THR A 44 -18.317 0.844 7.185 1.00 0.00 H +ATOM 650 HB THR A 44 -17.073 1.637 9.867 1.00 0.00 H +ATOM 651 HG1 THR A 44 -15.854 -0.227 9.360 1.00 0.00 H +ATOM 652 HG21 THR A 44 -18.365 0.051 10.948 1.00 0.00 H +ATOM 653 HG22 THR A 44 -19.531 0.399 9.649 1.00 0.00 H +ATOM 654 HG23 THR A 44 -18.438 -0.999 9.512 1.00 0.00 H +ATOM 655 N SER A 45 -19.931 2.871 7.121 1.00 0.00 N +ATOM 656 CA SER A 45 -21.139 3.670 7.230 1.00 0.00 C +ATOM 657 C SER A 45 -22.078 3.362 6.062 1.00 0.00 C +ATOM 658 O SER A 45 -21.649 2.822 5.043 1.00 0.00 O +ATOM 659 CB SER A 45 -20.811 5.163 7.267 1.00 0.00 C +ATOM 660 OG SER A 45 -21.890 5.935 7.788 1.00 0.00 O +ATOM 661 H SER A 45 -19.623 2.696 6.185 1.00 0.00 H +ATOM 662 HA SER A 45 -21.595 3.375 8.175 1.00 0.00 H +ATOM 663 HB2 SER A 45 -19.922 5.324 7.879 1.00 0.00 H +ATOM 664 HB3 SER A 45 -20.572 5.507 6.261 1.00 0.00 H +ATOM 665 HG SER A 45 -22.289 5.473 8.580 1.00 0.00 H +ATOM 666 N GLY A 46 -23.340 3.718 6.248 1.00 0.00 N +ATOM 667 CA GLY A 46 -24.343 3.486 5.223 1.00 0.00 C +ATOM 668 C GLY A 46 -24.687 1.999 5.118 1.00 0.00 C +ATOM 669 O GLY A 46 -24.442 1.234 6.050 1.00 0.00 O +ATOM 670 H GLY A 46 -23.680 4.156 7.080 1.00 0.00 H +ATOM 671 HA2 GLY A 46 -25.243 4.056 5.453 1.00 0.00 H +ATOM 672 HA3 GLY A 46 -23.975 3.846 4.262 1.00 0.00 H +ATOM 673 N PRO A 47 -25.265 1.624 3.946 1.00 0.00 N +ATOM 674 CA PRO A 47 -25.646 0.242 3.707 1.00 0.00 C +ATOM 675 C PRO A 47 -24.417 -0.623 3.418 1.00 0.00 C +ATOM 676 O PRO A 47 -24.315 -1.746 3.909 1.00 0.00 O +ATOM 677 CB PRO A 47 -26.621 0.298 2.542 1.00 0.00 C +ATOM 678 CG PRO A 47 -26.394 1.644 1.874 1.00 0.00 C +ATOM 679 CD PRO A 47 -25.571 2.502 2.820 1.00 0.00 C +ATOM 680 HA PRO A 47 -26.068 -0.148 4.526 1.00 0.00 H +ATOM 681 HB2 PRO A 47 -26.442 -0.520 1.844 1.00 0.00 H +ATOM 682 HB3 PRO A 47 -27.650 0.202 2.889 1.00 0.00 H +ATOM 683 HG2 PRO A 47 -25.874 1.516 0.924 1.00 0.00 H +ATOM 684 HG3 PRO A 47 -27.347 2.125 1.653 1.00 0.00 H +ATOM 685 HD2 PRO A 47 -24.661 2.861 2.339 1.00 0.00 H +ATOM 686 HD3 PRO A 47 -26.128 3.381 3.144 1.00 0.00 H +ATOM 687 N SER A 48 -23.516 -0.067 2.623 1.00 0.00 N +ATOM 688 CA SER A 48 -22.298 -0.773 2.262 1.00 0.00 C +ATOM 689 C SER A 48 -21.303 -0.726 3.423 1.00 0.00 C +ATOM 690 O SER A 48 -20.757 0.331 3.735 1.00 0.00 O +ATOM 691 CB SER A 48 -21.670 -0.179 1.000 1.00 0.00 C +ATOM 692 OG SER A 48 -20.433 -0.807 0.673 1.00 0.00 O +ATOM 693 H SER A 48 -23.606 0.848 2.228 1.00 0.00 H +ATOM 694 HA SER A 48 -22.608 -1.799 2.065 1.00 0.00 H +ATOM 695 HB2 SER A 48 -22.363 -0.287 0.165 1.00 0.00 H +ATOM 696 HB3 SER A 48 -21.508 0.889 1.144 1.00 0.00 H +ATOM 697 HG SER A 48 -19.770 -0.659 1.407 1.00 0.00 H +ATOM 698 N SER A 49 -21.097 -1.885 4.032 1.00 0.00 N +ATOM 699 CA SER A 49 -20.176 -1.989 5.151 1.00 0.00 C +ATOM 700 C SER A 49 -18.777 -2.348 4.647 1.00 0.00 C +ATOM 701 O SER A 49 -18.632 -2.944 3.580 1.00 0.00 O +ATOM 702 CB SER A 49 -20.658 -3.029 6.165 1.00 0.00 C +ATOM 703 OG SER A 49 -21.011 -4.260 5.541 1.00 0.00 O +ATOM 704 H SER A 49 -21.545 -2.740 3.772 1.00 0.00 H +ATOM 705 HA SER A 49 -20.174 -1.003 5.616 1.00 0.00 H +ATOM 706 HB2 SER A 49 -19.874 -3.207 6.902 1.00 0.00 H +ATOM 707 HB3 SER A 49 -21.520 -2.636 6.705 1.00 0.00 H +ATOM 708 HG SER A 49 -20.188 -4.728 5.218 1.00 0.00 H +ATOM 709 N GLY A 50 -17.783 -1.971 5.437 1.00 0.00 N +ATOM 710 CA GLY A 50 -16.401 -2.246 5.084 1.00 0.00 C +ATOM 711 C GLY A 50 -16.167 -2.043 3.586 1.00 0.00 C +ATOM 712 O GLY A 50 -16.178 -3.003 2.817 1.00 0.00 O +ATOM 713 H GLY A 50 -17.910 -1.487 6.303 1.00 0.00 H +ATOM 714 HA2 GLY A 50 -15.740 -1.591 5.652 1.00 0.00 H +ATOM 715 HA3 GLY A 50 -16.148 -3.270 5.360 1.00 0.00 H Added: SwiftApps/modFTdock/input/indata/2do1-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2do1-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2do1-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,828 @@ +ATOM 1 N GLY A -2 15.267 5.033 -18.791 1.00 0.00 N +ATOM 2 CA GLY A -2 16.009 5.034 -20.038 1.00 0.00 C +ATOM 3 C GLY A -2 16.181 3.641 -20.611 1.00 0.00 C +ATOM 4 O GLY A -2 15.734 3.360 -21.723 1.00 0.00 O +ATOM 5 H1 GLY A -2 15.748 5.033 -17.937 1.00 0.00 H +ATOM 6 HA2 GLY A -2 15.483 5.645 -20.757 1.00 0.00 H +ATOM 7 HA3 GLY A -2 16.985 5.462 -19.863 1.00 0.00 H +ATOM 8 N SER A -1 16.833 2.767 -19.851 1.00 0.00 N +ATOM 9 CA SER A -1 17.069 1.398 -20.292 1.00 0.00 C +ATOM 10 C SER A -1 17.044 0.434 -19.109 1.00 0.00 C +ATOM 11 O SER A -1 17.514 0.760 -18.019 1.00 0.00 O +ATOM 12 CB SER A -1 18.412 1.297 -21.018 1.00 0.00 C +ATOM 13 OG SER A -1 18.335 1.866 -22.314 1.00 0.00 O +ATOM 14 H SER A -1 17.166 3.051 -18.974 1.00 0.00 H +ATOM 15 HA SER A -1 16.278 1.129 -20.977 1.00 0.00 H +ATOM 16 HB2 SER A -1 19.165 1.824 -20.452 1.00 0.00 H +ATOM 17 HB3 SER A -1 18.692 0.258 -21.110 1.00 0.00 H +ATOM 18 HG SER A -1 18.088 1.188 -22.947 1.00 0.00 H +ATOM 19 N SER A 0 16.493 -0.754 -19.334 1.00 0.00 N +ATOM 20 CA SER A 0 16.403 -1.765 -18.287 1.00 0.00 C +ATOM 21 C SER A 0 15.980 -1.138 -16.962 1.00 0.00 C +ATOM 22 O SER A 0 16.516 -1.471 -15.906 1.00 0.00 O +ATOM 23 CB SER A 0 17.746 -2.479 -18.121 1.00 0.00 C +ATOM 24 OG SER A 0 17.572 -3.765 -17.552 1.00 0.00 O +ATOM 25 H SER A 0 16.136 -0.955 -20.225 1.00 0.00 H +ATOM 26 HA SER A 0 15.656 -2.486 -18.585 1.00 0.00 H +ATOM 27 HB2 SER A 0 18.215 -2.587 -19.087 1.00 0.00 H +ATOM 28 HB3 SER A 0 18.383 -1.895 -17.473 1.00 0.00 H +ATOM 29 HG SER A 0 18.203 -4.376 -17.941 1.00 0.00 H +ATOM 30 N GLY A 1 15.014 -0.227 -17.027 1.00 0.00 N +ATOM 31 CA GLY A 1 14.534 0.433 -15.826 1.00 0.00 C +ATOM 32 C GLY A 1 13.156 -0.045 -15.413 1.00 0.00 C +ATOM 33 O GLY A 1 12.541 -0.858 -16.102 1.00 0.00 O +ATOM 34 H GLY A 1 14.623 -0.002 -17.897 1.00 0.00 H +ATOM 35 HA2 GLY A 1 15.228 0.239 -15.021 1.00 0.00 H +ATOM 36 HA3 GLY A 1 14.495 1.497 -16.006 1.00 0.00 H +ATOM 37 N SER A 2 12.671 0.460 -14.283 1.00 0.00 N +ATOM 38 CA SER A 2 11.359 0.076 -13.776 1.00 0.00 C +ATOM 39 C SER A 2 10.473 1.302 -13.576 1.00 0.00 C +ATOM 40 O SER A 2 10.684 2.090 -12.654 1.00 0.00 O +ATOM 41 CB SER A 2 11.502 -0.685 -12.456 1.00 0.00 C +ATOM 42 OG SER A 2 10.237 -1.086 -11.959 1.00 0.00 O +ATOM 43 H SER A 2 13.210 1.104 -13.778 1.00 0.00 H +ATOM 44 HA SER A 2 10.898 -0.572 -14.506 1.00 0.00 H +ATOM 45 HB2 SER A 2 12.108 -1.564 -12.614 1.00 0.00 H +ATOM 46 HB3 SER A 2 11.977 -0.046 -11.725 1.00 0.00 H +ATOM 47 HG SER A 2 10.285 -1.997 -11.659 1.00 0.00 H +ATOM 48 N SER A 3 9.482 1.456 -14.447 1.00 0.00 N +ATOM 49 CA SER A 3 8.565 2.588 -14.370 1.00 0.00 C +ATOM 50 C SER A 3 7.236 2.169 -13.750 1.00 0.00 C +ATOM 51 O SER A 3 6.331 1.709 -14.445 1.00 0.00 O +ATOM 52 CB SER A 3 8.329 3.176 -15.762 1.00 0.00 C +ATOM 53 OG SER A 3 9.462 3.901 -16.209 1.00 0.00 O +ATOM 54 H SER A 3 9.365 0.794 -15.160 1.00 0.00 H +ATOM 55 HA SER A 3 9.020 3.340 -13.743 1.00 0.00 H +ATOM 56 HB2 SER A 3 8.131 2.376 -16.459 1.00 0.00 H +ATOM 57 HB3 SER A 3 7.480 3.843 -15.729 1.00 0.00 H +ATOM 58 HG SER A 3 9.195 4.786 -16.465 1.00 0.00 H +ATOM 59 N GLY A 4 7.125 2.332 -12.435 1.00 0.00 N +ATOM 60 CA GLY A 4 5.904 1.967 -11.742 1.00 0.00 C +ATOM 61 C GLY A 4 6.171 1.223 -10.448 1.00 0.00 C +ATOM 62 O GLY A 4 6.830 0.183 -10.446 1.00 0.00 O +ATOM 63 H GLY A 4 7.880 2.704 -11.931 1.00 0.00 H +ATOM 64 HA2 GLY A 4 5.346 2.864 -11.520 1.00 0.00 H +ATOM 65 HA3 GLY A 4 5.311 1.337 -12.389 1.00 0.00 H +ATOM 66 N VAL A 5 5.660 1.758 -9.344 1.00 0.00 N +ATOM 67 CA VAL A 5 5.848 1.138 -8.037 1.00 0.00 C +ATOM 68 C VAL A 5 4.631 0.310 -7.641 1.00 0.00 C +ATOM 69 O VAL A 5 3.491 0.723 -7.855 1.00 0.00 O +ATOM 70 CB VAL A 5 6.113 2.195 -6.948 1.00 0.00 C +ATOM 71 CG1 VAL A 5 7.390 2.965 -7.250 1.00 0.00 C +ATOM 72 CG2 VAL A 5 4.927 3.140 -6.824 1.00 0.00 C +ATOM 73 H VAL A 5 5.144 2.588 -9.409 1.00 0.00 H +ATOM 74 HA VAL A 5 6.709 0.489 -8.096 1.00 0.00 H +ATOM 75 HB VAL A 5 6.241 1.685 -6.004 1.00 0.00 H +ATOM 76 HG11 VAL A 5 7.522 3.037 -8.319 1.00 0.00 H +ATOM 77 HG12 VAL A 5 7.321 3.956 -6.826 1.00 0.00 H +ATOM 78 HG13 VAL A 5 8.233 2.445 -6.818 1.00 0.00 H +ATOM 79 HG21 VAL A 5 5.227 4.133 -7.123 1.00 0.00 H +ATOM 80 HG22 VAL A 5 4.125 2.798 -7.462 1.00 0.00 H +ATOM 81 HG23 VAL A 5 4.588 3.159 -5.799 1.00 0.00 H +ATOM 82 N GLU A 6 4.880 -0.860 -7.063 1.00 0.00 N +ATOM 83 CA GLU A 6 3.803 -1.746 -6.637 1.00 0.00 C +ATOM 84 C GLU A 6 3.972 -2.144 -5.174 1.00 0.00 C +ATOM 85 O GLU A 6 5.075 -2.467 -4.729 1.00 0.00 O +ATOM 86 CB GLU A 6 3.766 -2.998 -7.516 1.00 0.00 C +ATOM 87 CG GLU A 6 3.246 -2.741 -8.920 1.00 0.00 C +ATOM 88 CD GLU A 6 3.054 -4.018 -9.715 1.00 0.00 C +ATOM 89 OE1 GLU A 6 4.042 -4.763 -9.886 1.00 0.00 O +ATOM 90 OE2 GLU A 6 1.918 -4.272 -10.166 1.00 0.00 O +ATOM 91 H GLU A 6 5.810 -1.134 -6.919 1.00 0.00 H +ATOM 92 HA GLU A 6 2.872 -1.213 -6.747 1.00 0.00 H +ATOM 93 HB2 GLU A 6 4.765 -3.400 -7.592 1.00 0.00 H +ATOM 94 HB3 GLU A 6 3.127 -3.733 -7.048 1.00 0.00 H +ATOM 95 HG2 GLU A 6 2.296 -2.232 -8.851 1.00 0.00 H +ATOM 96 HG3 GLU A 6 3.952 -2.112 -9.442 1.00 0.00 H +ATOM 97 N LEU A 7 2.873 -2.118 -4.429 1.00 0.00 N +ATOM 98 CA LEU A 7 2.897 -2.475 -3.015 1.00 0.00 C +ATOM 99 C LEU A 7 3.305 -3.933 -2.828 1.00 0.00 C +ATOM 100 O LEU A 7 4.145 -4.250 -1.986 1.00 0.00 O +ATOM 101 CB LEU A 7 1.525 -2.232 -2.383 1.00 0.00 C +ATOM 102 CG LEU A 7 0.940 -0.831 -2.566 1.00 0.00 C +ATOM 103 CD1 LEU A 7 -0.532 -0.814 -2.187 1.00 0.00 C +ATOM 104 CD2 LEU A 7 1.717 0.183 -1.740 1.00 0.00 C +ATOM 105 H LEU A 7 2.023 -1.852 -4.839 1.00 0.00 H +ATOM 106 HA LEU A 7 3.626 -1.844 -2.527 1.00 0.00 H +ATOM 107 HB2 LEU A 7 0.833 -2.938 -2.815 1.00 0.00 H +ATOM 108 HB3 LEU A 7 1.613 -2.419 -1.322 1.00 0.00 H +ATOM 109 HG LEU A 7 1.020 -0.548 -3.607 1.00 0.00 H +ATOM 110 HD11 LEU A 7 -0.881 -1.827 -2.053 1.00 0.00 H +ATOM 111 HD12 LEU A 7 -1.101 -0.339 -2.973 1.00 0.00 H +ATOM 112 HD13 LEU A 7 -0.661 -0.263 -1.267 1.00 0.00 H +ATOM 113 HD21 LEU A 7 1.163 1.109 -1.693 1.00 0.00 H +ATOM 114 HD22 LEU A 7 2.678 0.362 -2.200 1.00 0.00 H +ATOM 115 HD23 LEU A 7 1.862 -0.201 -0.741 1.00 0.00 H +ATOM 116 N HIS A 8 2.706 -4.815 -3.622 1.00 0.00 N +ATOM 117 CA HIS A 8 3.010 -6.240 -3.546 1.00 0.00 C +ATOM 118 C HIS A 8 4.500 -6.467 -3.313 1.00 0.00 C +ATOM 119 O HIS A 8 4.893 -7.208 -2.412 1.00 0.00 O +ATOM 120 CB HIS A 8 2.569 -6.946 -4.829 1.00 0.00 C +ATOM 121 CG HIS A 8 1.237 -6.487 -5.338 1.00 0.00 C +ATOM 122 ND1 HIS A 8 1.072 -5.342 -6.089 1.00 0.00 N +ATOM 123 CD2 HIS A 8 0.003 -7.026 -5.201 1.00 0.00 C +ATOM 124 CE1 HIS A 8 -0.206 -5.197 -6.391 1.00 0.00 C +ATOM 125 NE2 HIS A 8 -0.876 -6.206 -5.864 1.00 0.00 N +ATOM 126 H HIS A 8 2.046 -4.501 -4.273 1.00 0.00 H +ATOM 127 HA HIS A 8 2.461 -6.652 -2.712 1.00 0.00 H +ATOM 128 HB2 HIS A 8 3.300 -6.762 -5.602 1.00 0.00 H +ATOM 129 HB3 HIS A 8 2.506 -8.008 -4.644 1.00 0.00 H +ATOM 130 HD2 HIS A 8 -0.245 -7.934 -4.668 1.00 0.00 H +ATOM 131 HE1 HIS A 8 -0.631 -4.391 -6.970 1.00 0.00 H +ATOM 132 HE2 HIS A 8 -1.851 -6.297 -5.864 1.00 0.00 H +ATOM 133 N LYS A 9 5.326 -5.824 -4.131 1.00 0.00 N +ATOM 134 CA LYS A 9 6.774 -5.954 -4.015 1.00 0.00 C +ATOM 135 C LYS A 9 7.230 -5.698 -2.582 1.00 0.00 C +ATOM 136 O LYS A 9 8.073 -6.422 -2.049 1.00 0.00 O +ATOM 137 CB LYS A 9 7.472 -4.979 -4.965 1.00 0.00 C +ATOM 138 CG LYS A 9 7.351 -5.364 -6.429 1.00 0.00 C +ATOM 139 CD LYS A 9 8.372 -4.633 -7.285 1.00 0.00 C +ATOM 140 CE LYS A 9 8.023 -3.160 -7.433 1.00 0.00 C +ATOM 141 NZ LYS A 9 9.004 -2.441 -8.292 1.00 0.00 N +ATOM 142 H LYS A 9 4.953 -5.246 -4.830 1.00 0.00 H +ATOM 143 HA LYS A 9 7.040 -6.964 -4.290 1.00 0.00 H +ATOM 144 HB2 LYS A 9 7.041 -3.997 -4.835 1.00 0.00 H +ATOM 145 HB3 LYS A 9 8.522 -4.937 -4.711 1.00 0.00 H +ATOM 146 HG2 LYS A 9 7.511 -6.427 -6.527 1.00 0.00 H +ATOM 147 HG3 LYS A 9 6.358 -5.114 -6.776 1.00 0.00 H +ATOM 148 HD2 LYS A 9 9.343 -4.716 -6.820 1.00 0.00 H +ATOM 149 HD3 LYS A 9 8.399 -5.088 -8.265 1.00 0.00 H +ATOM 150 HE2 LYS A 9 7.042 -3.079 -7.875 1.00 0.00 H +ATOM 151 HE3 LYS A 9 8.015 -2.705 -6.453 1.00 0.00 H +ATOM 152 HZ1 LYS A 9 8.685 -1.465 -8.458 1.00 0.00 H +ATOM 153 HZ2 LYS A 9 9.097 -2.923 -9.209 1.00 0.00 H +ATOM 154 HZ3 LYS A 9 9.935 -2.417 -7.829 1.00 0.00 H +ATOM 155 N LEU A 10 6.668 -4.667 -1.962 1.00 0.00 N +ATOM 156 CA LEU A 10 7.015 -4.317 -0.589 1.00 0.00 C +ATOM 157 C LEU A 10 6.762 -5.490 0.353 1.00 0.00 C +ATOM 158 O LEU A 10 5.792 -6.230 0.193 1.00 0.00 O +ATOM 159 CB LEU A 10 6.210 -3.099 -0.133 1.00 0.00 C +ATOM 160 CG LEU A 10 6.497 -1.790 -0.870 1.00 0.00 C +ATOM 161 CD1 LEU A 10 5.458 -0.738 -0.514 1.00 0.00 C +ATOM 162 CD2 LEU A 10 7.897 -1.291 -0.544 1.00 0.00 C +ATOM 163 H LEU A 10 6.003 -4.127 -2.438 1.00 0.00 H +ATOM 164 HA LEU A 10 8.067 -4.072 -0.566 1.00 0.00 H +ATOM 165 HB2 LEU A 10 5.163 -3.328 -0.261 1.00 0.00 H +ATOM 166 HB3 LEU A 10 6.416 -2.941 0.916 1.00 0.00 H +ATOM 167 HG LEU A 10 6.443 -1.965 -1.935 1.00 0.00 H +ATOM 168 HD11 LEU A 10 4.995 -0.370 -1.417 1.00 0.00 H +ATOM 169 HD12 LEU A 10 5.936 0.080 0.004 1.00 0.00 H +ATOM 170 HD13 LEU A 10 4.705 -1.177 0.125 1.00 0.00 H +ATOM 171 HD21 LEU A 10 8.309 -0.787 -1.406 1.00 0.00 H +ATOM 172 HD22 LEU A 10 8.527 -2.129 -0.283 1.00 0.00 H +ATOM 173 HD23 LEU A 10 7.850 -0.603 0.287 1.00 0.00 H +ATOM 174 N LYS A 11 7.641 -5.652 1.336 1.00 0.00 N +ATOM 175 CA LYS A 11 7.512 -6.732 2.307 1.00 0.00 C +ATOM 176 C LYS A 11 6.523 -6.360 3.407 1.00 0.00 C +ATOM 177 O LYS A 11 5.992 -5.249 3.429 1.00 0.00 O +ATOM 178 CB LYS A 11 8.875 -7.058 2.922 1.00 0.00 C +ATOM 179 CG LYS A 11 9.920 -7.472 1.900 1.00 0.00 C +ATOM 180 CD LYS A 11 11.131 -8.104 2.565 1.00 0.00 C +ATOM 181 CE LYS A 11 12.270 -8.302 1.577 1.00 0.00 C +ATOM 182 NZ LYS A 11 11.915 -9.277 0.509 1.00 0.00 N +ATOM 183 H LYS A 11 8.394 -5.029 1.412 1.00 0.00 H +ATOM 184 HA LYS A 11 7.144 -7.603 1.787 1.00 0.00 H +ATOM 185 HB2 LYS A 11 9.239 -6.186 3.444 1.00 0.00 H +ATOM 186 HB3 LYS A 11 8.754 -7.866 3.629 1.00 0.00 H +ATOM 187 HG2 LYS A 11 9.482 -8.188 1.221 1.00 0.00 H +ATOM 188 HG3 LYS A 11 10.238 -6.598 1.349 1.00 0.00 H +ATOM 189 HD2 LYS A 11 11.470 -7.460 3.363 1.00 0.00 H +ATOM 190 HD3 LYS A 11 10.848 -9.065 2.972 1.00 0.00 H +ATOM 191 HE2 LYS A 11 12.504 -7.352 1.122 1.00 0.00 H +ATOM 192 HE3 LYS A 11 13.134 -8.667 2.113 1.00 0.00 H +ATOM 193 HZ1 LYS A 11 10.965 -9.665 0.681 1.00 0.00 H +ATOM 194 HZ2 LYS A 11 12.599 -10.059 0.497 1.00 0.00 H +ATOM 195 HZ3 LYS A 11 11.923 -8.809 -0.420 1.00 0.00 H +ATOM 196 N LEU A 12 6.280 -7.295 4.319 1.00 0.00 N +ATOM 197 CA LEU A 12 5.355 -7.065 5.423 1.00 0.00 C +ATOM 198 C LEU A 12 5.768 -5.841 6.234 1.00 0.00 C +ATOM 199 O LEU A 12 4.936 -5.005 6.582 1.00 0.00 O +ATOM 200 CB LEU A 12 5.296 -8.296 6.330 1.00 0.00 C +ATOM 201 CG LEU A 12 4.205 -8.289 7.401 1.00 0.00 C +ATOM 202 CD1 LEU A 12 2.828 -8.376 6.762 1.00 0.00 C +ATOM 203 CD2 LEU A 12 4.413 -9.433 8.382 1.00 0.00 C +ATOM 204 H LEU A 12 6.733 -8.161 4.249 1.00 0.00 H +ATOM 205 HA LEU A 12 4.375 -6.890 5.003 1.00 0.00 H +ATOM 206 HB2 LEU A 12 5.139 -9.161 5.704 1.00 0.00 H +ATOM 207 HB3 LEU A 12 6.251 -8.384 6.829 1.00 0.00 H +ATOM 208 HG LEU A 12 4.258 -7.360 7.954 1.00 0.00 H +ATOM 209 HD11 LEU A 12 2.934 -8.511 5.696 1.00 0.00 H +ATOM 210 HD12 LEU A 12 2.283 -7.464 6.957 1.00 0.00 H +ATOM 211 HD13 LEU A 12 2.290 -9.213 7.180 1.00 0.00 H +ATOM 212 HD21 LEU A 12 5.468 -9.651 8.461 1.00 0.00 H +ATOM 213 HD22 LEU A 12 3.891 -10.310 8.028 1.00 0.00 H +ATOM 214 HD23 LEU A 12 4.030 -9.152 9.351 1.00 0.00 H +ATOM 215 N ALA A 13 7.060 -5.742 6.529 1.00 0.00 N +ATOM 216 CA ALA A 13 7.585 -4.619 7.294 1.00 0.00 C +ATOM 217 C ALA A 13 7.390 -3.305 6.545 1.00 0.00 C +ATOM 218 O ALA A 13 7.076 -2.278 7.147 1.00 0.00 O +ATOM 219 CB ALA A 13 9.058 -4.835 7.608 1.00 0.00 C +ATOM 220 H ALA A 13 7.675 -6.441 6.223 1.00 0.00 H +ATOM 221 HA ALA A 13 7.046 -4.571 8.230 1.00 0.00 H +ATOM 222 HB1 ALA A 13 9.210 -5.855 7.931 1.00 0.00 H +ATOM 223 HB2 ALA A 13 9.646 -4.646 6.722 1.00 0.00 H +ATOM 224 HB3 ALA A 13 9.362 -4.160 8.394 1.00 0.00 H +ATOM 225 N GLU A 14 7.578 -3.345 5.230 1.00 0.00 N +ATOM 226 CA GLU A 14 7.423 -2.156 4.400 1.00 0.00 C +ATOM 227 C GLU A 14 5.970 -1.691 4.381 1.00 0.00 C +ATOM 228 O GLU A 14 5.687 -0.498 4.496 1.00 0.00 O +ATOM 229 CB GLU A 14 7.899 -2.438 2.973 1.00 0.00 C +ATOM 230 CG GLU A 14 9.400 -2.642 2.860 1.00 0.00 C +ATOM 231 CD GLU A 14 10.171 -1.337 2.901 1.00 0.00 C +ATOM 232 OE1 GLU A 14 10.156 -0.671 3.957 1.00 0.00 O +ATOM 233 OE2 GLU A 14 10.789 -0.982 1.875 1.00 0.00 O +ATOM 234 H GLU A 14 7.827 -4.194 4.808 1.00 0.00 H +ATOM 235 HA GLU A 14 8.034 -1.374 4.824 1.00 0.00 H +ATOM 236 HB2 GLU A 14 7.406 -3.329 2.612 1.00 0.00 H +ATOM 237 HB3 GLU A 14 7.622 -1.605 2.344 1.00 0.00 H +ATOM 238 HG2 GLU A 14 9.729 -3.262 3.681 1.00 0.00 H +ATOM 239 HG3 GLU A 14 9.614 -3.141 1.926 1.00 0.00 H +ATOM 240 N LEU A 15 5.053 -2.641 4.235 1.00 0.00 N +ATOM 241 CA LEU A 15 3.628 -2.330 4.200 1.00 0.00 C +ATOM 242 C LEU A 15 3.176 -1.703 5.515 1.00 0.00 C +ATOM 243 O LEU A 15 2.442 -0.714 5.525 1.00 0.00 O +ATOM 244 CB LEU A 15 2.816 -3.595 3.919 1.00 0.00 C +ATOM 245 CG LEU A 15 3.102 -4.294 2.589 1.00 0.00 C +ATOM 246 CD1 LEU A 15 2.491 -5.686 2.576 1.00 0.00 C +ATOM 247 CD2 LEU A 15 2.573 -3.466 1.427 1.00 0.00 C +ATOM 248 H LEU A 15 5.340 -3.573 4.148 1.00 0.00 H +ATOM 249 HA LEU A 15 3.463 -1.621 3.402 1.00 0.00 H +ATOM 250 HB2 LEU A 15 3.017 -4.299 4.712 1.00 0.00 H +ATOM 251 HB3 LEU A 15 1.770 -3.326 3.934 1.00 0.00 H +ATOM 252 HG LEU A 15 4.171 -4.398 2.467 1.00 0.00 H +ATOM 253 HD11 LEU A 15 2.715 -6.169 1.637 1.00 0.00 H +ATOM 254 HD12 LEU A 15 1.420 -5.611 2.695 1.00 0.00 H +ATOM 255 HD13 LEU A 15 2.903 -6.268 3.388 1.00 0.00 H +ATOM 256 HD21 LEU A 15 1.619 -3.861 1.109 1.00 0.00 H +ATOM 257 HD22 LEU A 15 3.273 -3.510 0.605 1.00 0.00 H +ATOM 258 HD23 LEU A 15 2.451 -2.440 1.742 1.00 0.00 H +ATOM 259 N LYS A 16 3.619 -2.284 6.625 1.00 0.00 N +ATOM 260 CA LYS A 16 3.264 -1.782 7.947 1.00 0.00 C +ATOM 261 C LYS A 16 3.792 -0.365 8.151 1.00 0.00 C +ATOM 262 O LYS A 16 3.119 0.478 8.743 1.00 0.00 O +ATOM 263 CB LYS A 16 3.820 -2.706 9.032 1.00 0.00 C +ATOM 264 CG LYS A 16 2.971 -3.943 9.271 1.00 0.00 C +ATOM 265 CD LYS A 16 3.271 -4.573 10.621 1.00 0.00 C +ATOM 266 CE LYS A 16 2.060 -5.309 11.174 1.00 0.00 C +ATOM 267 NZ LYS A 16 2.308 -5.833 12.546 1.00 0.00 N +ATOM 268 H LYS A 16 4.202 -3.070 6.553 1.00 0.00 H +ATOM 269 HA LYS A 16 2.187 -1.765 8.017 1.00 0.00 H +ATOM 270 HB2 LYS A 16 4.811 -3.025 8.744 1.00 0.00 H +ATOM 271 HB3 LYS A 16 3.883 -2.155 9.960 1.00 0.00 H +ATOM 272 HG2 LYS A 16 1.928 -3.665 9.239 1.00 0.00 H +ATOM 273 HG3 LYS A 16 3.177 -4.665 8.494 1.00 0.00 H +ATOM 274 HD2 LYS A 16 4.084 -5.274 10.509 1.00 0.00 H +ATOM 275 HD3 LYS A 16 3.557 -3.795 11.316 1.00 0.00 H +ATOM 276 HE2 LYS A 16 1.223 -4.627 11.204 1.00 0.00 H +ATOM 277 HE3 LYS A 16 1.827 -6.135 10.518 1.00 0.00 H +ATOM 278 HZ1 LYS A 16 2.944 -5.193 13.062 1.00 0.00 H +ATOM 279 HZ2 LYS A 16 2.747 -6.774 12.495 1.00 0.00 H +ATOM 280 HZ3 LYS A 16 1.411 -5.908 13.067 1.00 0.00 H +ATOM 281 N GLN A 17 4.999 -0.111 7.655 1.00 0.00 N +ATOM 282 CA GLN A 17 5.615 1.204 7.783 1.00 0.00 C +ATOM 283 C GLN A 17 4.785 2.266 7.071 1.00 0.00 C +ATOM 284 O GLN A 17 4.585 3.363 7.591 1.00 0.00 O +ATOM 285 CB GLN A 17 7.035 1.182 7.214 1.00 0.00 C +ATOM 286 CG GLN A 17 7.853 2.412 7.573 1.00 0.00 C +ATOM 287 CD GLN A 17 8.172 2.490 9.053 1.00 0.00 C +ATOM 288 OE1 GLN A 17 7.364 2.971 9.849 1.00 0.00 O +ATOM 289 NE2 GLN A 17 9.354 2.017 9.430 1.00 0.00 N +ATOM 290 H GLN A 17 5.486 -0.825 7.194 1.00 0.00 H +ATOM 291 HA GLN A 17 5.662 1.447 8.834 1.00 0.00 H +ATOM 292 HB2 GLN A 17 7.549 0.311 7.593 1.00 0.00 H +ATOM 293 HB3 GLN A 17 6.978 1.116 6.138 1.00 0.00 H +ATOM 294 HG2 GLN A 17 8.781 2.385 7.022 1.00 0.00 H +ATOM 295 HG3 GLN A 17 7.295 3.294 7.292 1.00 0.00 H +ATOM 296 HE21 GLN A 17 9.946 1.651 8.740 1.00 0.00 H +ATOM 297 HE22 GLN A 17 9.586 2.056 10.380 1.00 0.00 H +ATOM 298 N GLU A 18 4.305 1.932 5.876 1.00 0.00 N +ATOM 299 CA GLU A 18 3.498 2.859 5.092 1.00 0.00 C +ATOM 300 C GLU A 18 2.190 3.183 5.810 1.00 0.00 C +ATOM 301 O GLU A 18 1.765 4.338 5.857 1.00 0.00 O +ATOM 302 CB GLU A 18 3.202 2.271 3.711 1.00 0.00 C +ATOM 303 CG GLU A 18 4.390 2.314 2.764 1.00 0.00 C +ATOM 304 CD GLU A 18 4.505 3.638 2.034 1.00 0.00 C +ATOM 305 OE1 GLU A 18 5.170 4.553 2.563 1.00 0.00 O +ATOM 306 OE2 GLU A 18 3.930 3.759 0.932 1.00 0.00 O +ATOM 307 H GLU A 18 4.499 1.043 5.514 1.00 0.00 H +ATOM 308 HA GLU A 18 4.063 3.771 4.971 1.00 0.00 H +ATOM 309 HB2 GLU A 18 2.899 1.241 3.829 1.00 0.00 H +ATOM 310 HB3 GLU A 18 2.391 2.825 3.263 1.00 0.00 H +ATOM 311 HG2 GLU A 18 5.294 2.155 3.333 1.00 0.00 H +ATOM 312 HG3 GLU A 18 4.281 1.525 2.034 1.00 0.00 H +ATOM 313 N CYS A 19 1.558 2.156 6.366 1.00 0.00 N +ATOM 314 CA CYS A 19 0.298 2.330 7.080 1.00 0.00 C +ATOM 315 C CYS A 19 0.489 3.205 8.314 1.00 0.00 C +ATOM 316 O CYS A 19 -0.386 3.997 8.669 1.00 0.00 O +ATOM 317 CB CYS A 19 -0.273 0.971 7.487 1.00 0.00 C +ATOM 318 SG CYS A 19 -0.709 -0.095 6.093 1.00 0.00 S +ATOM 319 H CYS A 19 1.947 1.259 6.295 1.00 0.00 H +ATOM 320 HA CYS A 19 -0.396 2.817 6.412 1.00 0.00 H +ATOM 321 HB2 CYS A 19 0.458 0.446 8.084 1.00 0.00 H +ATOM 322 HB3 CYS A 19 -1.165 1.125 8.076 1.00 0.00 H +ATOM 323 HG CYS A 19 -2.030 -0.162 6.028 1.00 0.00 H +ATOM 324 N LEU A 20 1.637 3.057 8.966 1.00 0.00 N +ATOM 325 CA LEU A 20 1.942 3.833 10.163 1.00 0.00 C +ATOM 326 C LEU A 20 2.062 5.318 9.833 1.00 0.00 C +ATOM 327 O LEU A 20 1.505 6.166 10.530 1.00 0.00 O +ATOM 328 CB LEU A 20 3.240 3.334 10.801 1.00 0.00 C +ATOM 329 CG LEU A 20 3.347 3.494 12.318 1.00 0.00 C +ATOM 330 CD1 LEU A 20 4.462 2.619 12.869 1.00 0.00 C +ATOM 331 CD2 LEU A 20 3.580 4.953 12.685 1.00 0.00 C +ATOM 332 H LEU A 20 2.295 2.411 8.636 1.00 0.00 H +ATOM 333 HA LEU A 20 1.131 3.697 10.863 1.00 0.00 H +ATOM 334 HB2 LEU A 20 3.339 2.285 10.571 1.00 0.00 H +ATOM 335 HB3 LEU A 20 4.059 3.878 10.351 1.00 0.00 H +ATOM 336 HG LEU A 20 2.419 3.178 12.773 1.00 0.00 H +ATOM 337 HD11 LEU A 20 4.445 1.660 12.374 1.00 0.00 H +ATOM 338 HD12 LEU A 20 4.318 2.479 13.930 1.00 0.00 H +ATOM 339 HD13 LEU A 20 5.415 3.098 12.696 1.00 0.00 H +ATOM 340 HD21 LEU A 20 3.184 5.143 13.671 1.00 0.00 H +ATOM 341 HD22 LEU A 20 3.082 5.589 11.968 1.00 0.00 H +ATOM 342 HD23 LEU A 20 4.640 5.161 12.676 1.00 0.00 H +ATOM 343 N ALA A 21 2.792 5.624 8.765 1.00 0.00 N +ATOM 344 CA ALA A 21 2.981 7.006 8.340 1.00 0.00 C +ATOM 345 C ALA A 21 1.663 7.627 7.890 1.00 0.00 C +ATOM 346 O ALA A 21 1.409 8.808 8.129 1.00 0.00 O +ATOM 347 CB ALA A 21 4.011 7.078 7.222 1.00 0.00 C +ATOM 348 H ALA A 21 3.211 4.904 8.250 1.00 0.00 H +ATOM 349 HA ALA A 21 3.361 7.565 9.183 1.00 0.00 H +ATOM 350 HB1 ALA A 21 4.882 6.502 7.499 1.00 0.00 H +ATOM 351 HB2 ALA A 21 3.585 6.674 6.315 1.00 0.00 H +ATOM 352 HB3 ALA A 21 4.295 8.107 7.061 1.00 0.00 H +ATOM 353 N ARG A 22 0.830 6.825 7.235 1.00 0.00 N +ATOM 354 CA ARG A 22 -0.461 7.298 6.749 1.00 0.00 C +ATOM 355 C ARG A 22 -1.450 7.459 7.900 1.00 0.00 C +ATOM 356 O ARG A 22 -2.290 8.357 7.890 1.00 0.00 O +ATOM 357 CB ARG A 22 -1.025 6.327 5.710 1.00 0.00 C +ATOM 358 CG ARG A 22 -0.240 6.303 4.409 1.00 0.00 C +ATOM 359 CD ARG A 22 -1.028 5.631 3.295 1.00 0.00 C +ATOM 360 NE ARG A 22 -0.199 5.366 2.122 1.00 0.00 N +ATOM 361 CZ ARG A 22 0.185 6.305 1.266 1.00 0.00 C +ATOM 362 NH1 ARG A 22 -0.183 7.566 1.450 1.00 0.00 N +ATOM 363 NH2 ARG A 22 0.939 5.985 0.222 1.00 0.00 N +ATOM 364 H ARG A 22 1.089 5.894 7.075 1.00 0.00 H +ATOM 365 HA ARG A 22 -0.309 8.260 6.284 1.00 0.00 H +ATOM 366 HB2 ARG A 22 -1.021 5.330 6.126 1.00 0.00 H +ATOM 367 HB3 ARG A 22 -2.043 6.610 5.486 1.00 0.00 H +ATOM 368 HG2 ARG A 22 -0.016 7.318 4.116 1.00 0.00 H +ATOM 369 HG3 ARG A 22 0.680 5.760 4.566 1.00 0.00 H +ATOM 370 HD2 ARG A 22 -1.422 4.697 3.665 1.00 0.00 H +ATOM 371 HD3 ARG A 22 -1.843 6.278 3.010 1.00 0.00 H +ATOM 372 HE ARG A 22 0.084 4.441 1.967 1.00 0.00 H +ATOM 373 HH11 ARG A 22 -0.751 7.810 2.236 1.00 0.00 H +ATOM 374 HH12 ARG A 22 0.108 8.271 0.804 1.00 0.00 H +ATOM 375 HH21 ARG A 22 1.218 5.036 0.079 1.00 0.00 H +ATOM 376 HH22 ARG A 22 1.227 6.693 -0.423 1.00 0.00 H +ATOM 377 N GLY A 23 -1.343 6.580 8.893 1.00 0.00 N +ATOM 378 CA GLY A 23 -2.234 6.642 10.037 1.00 0.00 C +ATOM 379 C GLY A 23 -3.377 5.652 9.936 1.00 0.00 C +ATOM 380 O GLY A 23 -4.500 5.945 10.347 1.00 0.00 O +ATOM 381 H GLY A 23 -0.654 5.885 8.848 1.00 0.00 H +ATOM 382 HA2 GLY A 23 -1.667 6.432 10.932 1.00 0.00 H +ATOM 383 HA3 GLY A 23 -2.642 7.639 10.107 1.00 0.00 H +ATOM 384 N LEU A 24 -3.092 4.476 9.386 1.00 0.00 N +ATOM 385 CA LEU A 24 -4.106 3.439 9.229 1.00 0.00 C +ATOM 386 C LEU A 24 -3.862 2.288 10.200 1.00 0.00 C +ATOM 387 O LEU A 24 -2.877 2.285 10.937 1.00 0.00 O +ATOM 388 CB LEU A 24 -4.112 2.916 7.792 1.00 0.00 C +ATOM 389 CG LEU A 24 -4.286 3.968 6.696 1.00 0.00 C +ATOM 390 CD1 LEU A 24 -3.851 3.412 5.349 1.00 0.00 C +ATOM 391 CD2 LEU A 24 -5.731 4.442 6.637 1.00 0.00 C +ATOM 392 H LEU A 24 -2.179 4.301 9.077 1.00 0.00 H +ATOM 393 HA LEU A 24 -5.068 3.880 9.447 1.00 0.00 H +ATOM 394 HB2 LEU A 24 -3.174 2.412 7.620 1.00 0.00 H +ATOM 395 HB3 LEU A 24 -4.922 2.206 7.702 1.00 0.00 H +ATOM 396 HG LEU A 24 -3.662 4.821 6.922 1.00 0.00 H +ATOM 397 HD11 LEU A 24 -4.722 3.185 4.754 1.00 0.00 H +ATOM 398 HD12 LEU A 24 -3.274 2.512 5.500 1.00 0.00 H +ATOM 399 HD13 LEU A 24 -3.245 4.145 4.836 1.00 0.00 H +ATOM 400 HD21 LEU A 24 -5.762 5.453 6.256 1.00 0.00 H +ATOM 401 HD22 LEU A 24 -6.158 4.418 7.629 1.00 0.00 H +ATOM 402 HD23 LEU A 24 -6.296 3.794 5.984 1.00 0.00 H +ATOM 403 N GLU A 25 -4.766 1.313 10.193 1.00 0.00 N +ATOM 404 CA GLU A 25 -4.647 0.156 11.073 1.00 0.00 C +ATOM 405 C GLU A 25 -3.641 -0.848 10.518 1.00 0.00 C +ATOM 406 O GLU A 25 -3.868 -1.459 9.473 1.00 0.00 O +ATOM 407 CB GLU A 25 -6.009 -0.516 11.255 1.00 0.00 C +ATOM 408 CG GLU A 25 -6.138 -1.289 12.557 1.00 0.00 C +ATOM 409 CD GLU A 25 -6.357 -0.384 13.753 1.00 0.00 C +ATOM 410 OE1 GLU A 25 -7.150 0.573 13.635 1.00 0.00 O +ATOM 411 OE2 GLU A 25 -5.735 -0.633 14.808 1.00 0.00 O +ATOM 412 H GLU A 25 -5.530 1.373 9.583 1.00 0.00 H +ATOM 413 HA GLU A 25 -4.297 0.504 12.033 1.00 0.00 H +ATOM 414 HB2 GLU A 25 -6.778 0.242 11.233 1.00 0.00 H +ATOM 415 HB3 GLU A 25 -6.170 -1.202 10.436 1.00 0.00 H +ATOM 416 HG2 GLU A 25 -6.976 -1.965 12.478 1.00 0.00 H +ATOM 417 HG3 GLU A 25 -5.232 -1.857 12.714 1.00 0.00 H +ATOM 418 N THR A 26 -2.528 -1.015 11.225 1.00 0.00 N +ATOM 419 CA THR A 26 -1.486 -1.943 10.803 1.00 0.00 C +ATOM 420 C THR A 26 -1.778 -3.356 11.294 1.00 0.00 C +ATOM 421 O THR A 26 -0.873 -4.080 11.711 1.00 0.00 O +ATOM 422 CB THR A 26 -0.103 -1.508 11.321 1.00 0.00 C +ATOM 423 OG1 THR A 26 -0.090 -1.519 12.753 1.00 0.00 O +ATOM 424 CG2 THR A 26 0.251 -0.117 10.817 1.00 0.00 C +ATOM 425 H THR A 26 -2.405 -0.499 12.049 1.00 0.00 H +ATOM 426 HA THR A 26 -1.459 -1.945 9.723 1.00 0.00 H +ATOM 427 HB THR A 26 0.637 -2.206 10.957 1.00 0.00 H +ATOM 428 HG1 THR A 26 -0.875 -1.076 13.084 1.00 0.00 H +ATOM 429 HG21 THR A 26 1.103 -0.179 10.156 1.00 0.00 H +ATOM 430 HG22 THR A 26 0.491 0.520 11.655 1.00 0.00 H +ATOM 431 HG23 THR A 26 -0.590 0.296 10.280 1.00 0.00 H +ATOM 432 N LYS A 27 -3.048 -3.746 11.241 1.00 0.00 N +ATOM 433 CA LYS A 27 -3.460 -5.074 11.677 1.00 0.00 C +ATOM 434 C LYS A 27 -3.765 -5.970 10.481 1.00 0.00 C +ATOM 435 O LYS A 27 -3.888 -5.495 9.353 1.00 0.00 O +ATOM 436 CB LYS A 27 -4.690 -4.977 12.583 1.00 0.00 C +ATOM 437 CG LYS A 27 -5.975 -4.670 11.832 1.00 0.00 C +ATOM 438 CD LYS A 27 -7.193 -5.194 12.574 1.00 0.00 C +ATOM 439 CE LYS A 27 -7.340 -4.539 13.938 1.00 0.00 C +ATOM 440 NZ LYS A 27 -8.686 -4.781 14.528 1.00 0.00 N +ATOM 441 H LYS A 27 -3.724 -3.124 10.898 1.00 0.00 H +ATOM 442 HA LYS A 27 -2.645 -5.507 12.237 1.00 0.00 H +ATOM 443 HB2 LYS A 27 -4.816 -5.916 13.100 1.00 0.00 H +ATOM 444 HB3 LYS A 27 -4.526 -4.194 13.309 1.00 0.00 H +ATOM 445 HG2 LYS A 27 -6.068 -3.600 11.720 1.00 0.00 H +ATOM 446 HG3 LYS A 27 -5.931 -5.133 10.857 1.00 0.00 H +ATOM 447 HD2 LYS A 27 -8.077 -4.986 11.990 1.00 0.00 H +ATOM 448 HD3 LYS A 27 -7.090 -6.262 12.706 1.00 0.00 H +ATOM 449 HE2 LYS A 27 -6.589 -4.942 14.600 1.00 0.00 H +ATOM 450 HE3 LYS A 27 -7.190 -3.475 13.830 1.00 0.00 H +ATOM 451 HZ1 LYS A 27 -8.971 -5.769 14.371 1.00 0.00 H +ATOM 452 HZ2 LYS A 27 -9.388 -4.155 14.085 1.00 0.00 H +ATOM 453 HZ3 LYS A 27 -8.667 -4.594 15.551 1.00 0.00 H +ATOM 454 N GLY A 28 -3.889 -7.269 10.736 1.00 0.00 N +ATOM 455 CA GLY A 28 -4.180 -8.210 9.670 1.00 0.00 C +ATOM 456 C GLY A 28 -2.926 -8.806 9.063 1.00 0.00 C +ATOM 457 O GLY A 28 -1.856 -8.769 9.673 1.00 0.00 O +ATOM 458 H GLY A 28 -3.781 -7.591 11.656 1.00 0.00 H +ATOM 459 HA2 GLY A 28 -4.790 -9.008 10.066 1.00 0.00 H +ATOM 460 HA3 GLY A 28 -4.733 -7.699 8.896 1.00 0.00 H +ATOM 461 N ILE A 29 -3.056 -9.357 7.862 1.00 0.00 N +ATOM 462 CA ILE A 29 -1.923 -9.963 7.173 1.00 0.00 C +ATOM 463 C ILE A 29 -1.433 -9.076 6.034 1.00 0.00 C +ATOM 464 O ILE A 29 -1.932 -7.968 5.836 1.00 0.00 O +ATOM 465 CB ILE A 29 -2.284 -11.351 6.610 1.00 0.00 C +ATOM 466 CG1 ILE A 29 -3.381 -11.226 5.550 1.00 0.00 C +ATOM 467 CG2 ILE A 29 -2.727 -12.279 7.731 1.00 0.00 C +ATOM 468 CD1 ILE A 29 -3.533 -12.460 4.690 1.00 0.00 C +ATOM 469 H ILE A 29 -3.934 -9.355 7.427 1.00 0.00 H +ATOM 470 HA ILE A 29 -1.124 -10.085 7.890 1.00 0.00 H +ATOM 471 HB ILE A 29 -1.400 -11.771 6.155 1.00 0.00 H +ATOM 472 HG12 ILE A 29 -4.325 -11.044 6.038 1.00 0.00 H +ATOM 473 HG13 ILE A 29 -3.150 -10.394 4.901 1.00 0.00 H +ATOM 474 HG21 ILE A 29 -3.276 -13.110 7.315 1.00 0.00 H +ATOM 475 HG22 ILE A 29 -1.858 -12.649 8.256 1.00 0.00 H +ATOM 476 HG23 ILE A 29 -3.359 -11.738 8.418 1.00 0.00 H +ATOM 477 HD11 ILE A 29 -4.426 -12.373 4.089 1.00 0.00 H +ATOM 478 HD12 ILE A 29 -2.673 -12.559 4.045 1.00 0.00 H +ATOM 479 HD13 ILE A 29 -3.610 -13.333 5.323 1.00 0.00 H +ATOM 480 N LYS A 30 -0.454 -9.572 5.285 1.00 0.00 N +ATOM 481 CA LYS A 30 0.103 -8.827 4.162 1.00 0.00 C +ATOM 482 C LYS A 30 -1.004 -8.316 3.245 1.00 0.00 C +ATOM 483 O LYS A 30 -1.018 -7.145 2.868 1.00 0.00 O +ATOM 484 CB LYS A 30 1.071 -9.708 3.369 1.00 0.00 C +ATOM 485 CG LYS A 30 1.625 -9.035 2.125 1.00 0.00 C +ATOM 486 CD LYS A 30 2.825 -9.786 1.572 1.00 0.00 C +ATOM 487 CE LYS A 30 3.251 -9.238 0.219 1.00 0.00 C +ATOM 488 NZ LYS A 30 4.092 -10.210 -0.534 1.00 0.00 N +ATOM 489 H LYS A 30 -0.097 -10.462 5.492 1.00 0.00 H +ATOM 490 HA LYS A 30 0.643 -7.981 4.560 1.00 0.00 H +ATOM 491 HB2 LYS A 30 1.900 -9.976 4.007 1.00 0.00 H +ATOM 492 HB3 LYS A 30 0.554 -10.607 3.066 1.00 0.00 H +ATOM 493 HG2 LYS A 30 0.854 -9.005 1.369 1.00 0.00 H +ATOM 494 HG3 LYS A 30 1.926 -8.028 2.375 1.00 0.00 H +ATOM 495 HD2 LYS A 30 3.649 -9.689 2.263 1.00 0.00 H +ATOM 496 HD3 LYS A 30 2.566 -10.830 1.463 1.00 0.00 H +ATOM 497 HE2 LYS A 30 2.368 -9.015 -0.359 1.00 0.00 H +ATOM 498 HE3 LYS A 30 3.817 -8.331 0.375 1.00 0.00 H +ATOM 499 HZ1 LYS A 30 4.256 -11.060 0.042 1.00 0.00 H +ATOM 500 HZ2 LYS A 30 5.010 -9.782 -0.769 1.00 0.00 H +ATOM 501 HZ3 LYS A 30 3.615 -10.488 -1.415 1.00 0.00 H +ATOM 502 N GLN A 31 -1.929 -9.203 2.892 1.00 0.00 N +ATOM 503 CA GLN A 31 -3.040 -8.840 2.020 1.00 0.00 C +ATOM 504 C GLN A 31 -3.900 -7.753 2.657 1.00 0.00 C +ATOM 505 O GLN A 31 -4.409 -6.868 1.969 1.00 0.00 O +ATOM 506 CB GLN A 31 -3.897 -10.069 1.712 1.00 0.00 C +ATOM 507 CG GLN A 31 -3.348 -10.926 0.583 1.00 0.00 C +ATOM 508 CD GLN A 31 -3.803 -12.370 0.673 1.00 0.00 C +ATOM 509 OE1 GLN A 31 -5.000 -12.657 0.663 1.00 0.00 O +ATOM 510 NE2 GLN A 31 -2.847 -13.287 0.760 1.00 0.00 N +ATOM 511 H GLN A 31 -1.863 -10.121 3.225 1.00 0.00 H +ATOM 512 HA GLN A 31 -2.627 -8.460 1.097 1.00 0.00 H +ATOM 513 HB2 GLN A 31 -3.962 -10.679 2.600 1.00 0.00 H +ATOM 514 HB3 GLN A 31 -4.889 -9.742 1.437 1.00 0.00 H +ATOM 515 HG2 GLN A 31 -3.684 -10.517 -0.358 1.00 0.00 H +ATOM 516 HG3 GLN A 31 -2.269 -10.901 0.621 1.00 0.00 H +ATOM 517 HE21 GLN A 31 -1.914 -12.985 0.763 1.00 0.00 H +ATOM 518 HE22 GLN A 31 -3.112 -14.228 0.820 1.00 0.00 H +ATOM 519 N ASP A 32 -4.057 -7.826 3.974 1.00 0.00 N +ATOM 520 CA ASP A 32 -4.854 -6.847 4.704 1.00 0.00 C +ATOM 521 C ASP A 32 -4.230 -5.458 4.610 1.00 0.00 C +ATOM 522 O ASP A 32 -4.931 -4.461 4.434 1.00 0.00 O +ATOM 523 CB ASP A 32 -4.991 -7.261 6.170 1.00 0.00 C +ATOM 524 CG ASP A 32 -6.026 -8.350 6.370 1.00 0.00 C +ATOM 525 OD1 ASP A 32 -7.195 -8.135 5.988 1.00 0.00 O +ATOM 526 OD2 ASP A 32 -5.667 -9.418 6.910 1.00 0.00 O +ATOM 527 H ASP A 32 -3.625 -8.555 4.467 1.00 0.00 H +ATOM 528 HA ASP A 32 -5.835 -6.817 4.255 1.00 0.00 H +ATOM 529 HB2 ASP A 32 -4.038 -7.626 6.525 1.00 0.00 H +ATOM 530 HB3 ASP A 32 -5.282 -6.400 6.754 1.00 0.00 H +ATOM 531 N LEU A 33 -2.908 -5.401 4.731 1.00 0.00 N +ATOM 532 CA LEU A 33 -2.188 -4.134 4.661 1.00 0.00 C +ATOM 533 C LEU A 33 -2.278 -3.533 3.262 1.00 0.00 C +ATOM 534 O LEU A 33 -2.527 -2.337 3.105 1.00 0.00 O +ATOM 535 CB LEU A 33 -0.722 -4.336 5.048 1.00 0.00 C +ATOM 536 CG LEU A 33 -0.457 -4.688 6.512 1.00 0.00 C +ATOM 537 CD1 LEU A 33 0.915 -5.325 6.668 1.00 0.00 C +ATOM 538 CD2 LEU A 33 -0.574 -3.449 7.389 1.00 0.00 C +ATOM 539 H LEU A 33 -2.403 -6.229 4.870 1.00 0.00 H +ATOM 540 HA LEU A 33 -2.647 -3.453 5.363 1.00 0.00 H +ATOM 541 HB2 LEU A 33 -0.326 -5.134 4.439 1.00 0.00 H +ATOM 542 HB3 LEU A 33 -0.193 -3.420 4.826 1.00 0.00 H +ATOM 543 HG LEU A 33 -1.196 -5.404 6.843 1.00 0.00 H +ATOM 544 HD11 LEU A 33 1.674 -4.632 6.336 1.00 0.00 H +ATOM 545 HD12 LEU A 33 0.964 -6.224 6.072 1.00 0.00 H +ATOM 546 HD13 LEU A 33 1.082 -5.572 7.706 1.00 0.00 H +ATOM 547 HD21 LEU A 33 0.386 -3.230 7.832 1.00 0.00 H +ATOM 548 HD22 LEU A 33 -1.299 -3.629 8.170 1.00 0.00 H +ATOM 549 HD23 LEU A 33 -0.893 -2.612 6.787 1.00 0.00 H +ATOM 550 N ILE A 34 -2.076 -4.369 2.250 1.00 0.00 N +ATOM 551 CA ILE A 34 -2.138 -3.921 0.865 1.00 0.00 C +ATOM 552 C ILE A 34 -3.549 -3.477 0.493 1.00 0.00 C +ATOM 553 O ILE A 34 -3.742 -2.408 -0.088 1.00 0.00 O +ATOM 554 CB ILE A 34 -1.688 -5.028 -0.106 1.00 0.00 C +ATOM 555 CG1 ILE A 34 -0.183 -5.270 0.022 1.00 0.00 C +ATOM 556 CG2 ILE A 34 -2.050 -4.658 -1.537 1.00 0.00 C +ATOM 557 CD1 ILE A 34 0.267 -6.599 -0.542 1.00 0.00 C +ATOM 558 H ILE A 34 -1.881 -5.311 2.439 1.00 0.00 H +ATOM 559 HA ILE A 34 -1.467 -3.081 0.756 1.00 0.00 H +ATOM 560 HB ILE A 34 -2.214 -5.936 0.149 1.00 0.00 H +ATOM 561 HG12 ILE A 34 0.347 -4.491 -0.503 1.00 0.00 H +ATOM 562 HG13 ILE A 34 0.090 -5.242 1.068 1.00 0.00 H +ATOM 563 HG21 ILE A 34 -3.124 -4.679 -1.654 1.00 0.00 H +ATOM 564 HG22 ILE A 34 -1.685 -3.665 -1.755 1.00 0.00 H +ATOM 565 HG23 ILE A 34 -1.600 -5.365 -2.217 1.00 0.00 H +ATOM 566 HD11 ILE A 34 0.736 -7.181 0.237 1.00 0.00 H +ATOM 567 HD12 ILE A 34 -0.587 -7.134 -0.928 1.00 0.00 H +ATOM 568 HD13 ILE A 34 0.976 -6.430 -1.340 1.00 0.00 H +ATOM 569 N HIS A 35 -4.532 -4.303 0.834 1.00 0.00 N +ATOM 570 CA HIS A 35 -5.927 -3.995 0.538 1.00 0.00 C +ATOM 571 C HIS A 35 -6.315 -2.634 1.109 1.00 0.00 C +ATOM 572 O HIS A 35 -6.966 -1.832 0.438 1.00 0.00 O +ATOM 573 CB HIS A 35 -6.843 -5.079 1.107 1.00 0.00 C +ATOM 574 CG HIS A 35 -8.177 -5.152 0.430 1.00 0.00 C +ATOM 575 ND1 HIS A 35 -9.368 -5.236 1.121 1.00 0.00 N +ATOM 576 CD2 HIS A 35 -8.505 -5.151 -0.883 1.00 0.00 C +ATOM 577 CE1 HIS A 35 -10.370 -5.285 0.262 1.00 0.00 C +ATOM 578 NE2 HIS A 35 -9.873 -5.235 -0.961 1.00 0.00 N +ATOM 579 H HIS A 35 -4.315 -5.140 1.295 1.00 0.00 H +ATOM 580 HA HIS A 35 -6.040 -3.967 -0.535 1.00 0.00 H +ATOM 581 HB2 HIS A 35 -6.363 -6.040 0.997 1.00 0.00 H +ATOM 582 HB3 HIS A 35 -7.012 -4.885 2.156 1.00 0.00 H +ATOM 583 HD2 HIS A 35 -7.818 -5.095 -1.716 1.00 0.00 H +ATOM 584 HE1 HIS A 35 -11.417 -5.355 0.515 1.00 0.00 H +ATOM 585 HE2 HIS A 35 -10.392 -5.340 -1.785 1.00 0.00 H +ATOM 586 N ARG A 36 -5.912 -2.381 2.350 1.00 0.00 N +ATOM 587 CA ARG A 36 -6.220 -1.119 3.010 1.00 0.00 C +ATOM 588 C ARG A 36 -5.508 0.042 2.322 1.00 0.00 C +ATOM 589 O ARG A 36 -6.077 1.122 2.155 1.00 0.00 O +ATOM 590 CB ARG A 36 -5.814 -1.178 4.484 1.00 0.00 C +ATOM 591 CG ARG A 36 -6.637 -0.266 5.379 1.00 0.00 C +ATOM 592 CD ARG A 36 -6.239 -0.412 6.840 1.00 0.00 C +ATOM 593 NE ARG A 36 -7.353 -0.128 7.741 1.00 0.00 N +ATOM 594 CZ ARG A 36 -7.841 1.090 7.945 1.00 0.00 C +ATOM 595 NH1 ARG A 36 -7.317 2.132 7.314 1.00 0.00 N +ATOM 596 NH2 ARG A 36 -8.856 1.268 8.781 1.00 0.00 N +ATOM 597 H ARG A 36 -5.397 -3.060 2.833 1.00 0.00 H +ATOM 598 HA ARG A 36 -7.286 -0.961 2.946 1.00 0.00 H +ATOM 599 HB2 ARG A 36 -5.931 -2.192 4.837 1.00 0.00 H +ATOM 600 HB3 ARG A 36 -4.777 -0.892 4.571 1.00 0.00 H +ATOM 601 HG2 ARG A 36 -6.478 0.759 5.076 1.00 0.00 H +ATOM 602 HG3 ARG A 36 -7.681 -0.518 5.272 1.00 0.00 H +ATOM 603 HD2 ARG A 36 -5.902 -1.424 7.008 1.00 0.00 H +ATOM 604 HD3 ARG A 36 -5.433 0.275 7.050 1.00 0.00 H +ATOM 605 HE ARG A 36 -7.755 -0.884 8.218 1.00 0.00 H +ATOM 606 HH11 ARG A 36 -6.553 2.000 6.683 1.00 0.00 H +ATOM 607 HH12 ARG A 36 -7.688 3.048 7.468 1.00 0.00 H +ATOM 608 HH21 ARG A 36 -9.254 0.485 9.258 1.00 0.00 H +ATOM 609 HH22 ARG A 36 -9.223 2.185 8.933 1.00 0.00 H +ATOM 610 N LEU A 37 -4.261 -0.186 1.926 1.00 0.00 N +ATOM 611 CA LEU A 37 -3.470 0.841 1.256 1.00 0.00 C +ATOM 612 C LEU A 37 -4.111 1.244 -0.068 1.00 0.00 C +ATOM 613 O LEU A 37 -4.213 2.429 -0.383 1.00 0.00 O +ATOM 614 CB LEU A 37 -2.046 0.338 1.014 1.00 0.00 C +ATOM 615 CG LEU A 37 -1.178 0.154 2.260 1.00 0.00 C +ATOM 616 CD1 LEU A 37 -0.069 -0.852 1.994 1.00 0.00 C +ATOM 617 CD2 LEU A 37 -0.596 1.487 2.706 1.00 0.00 C +ATOM 618 H LEU A 37 -3.861 -1.066 2.087 1.00 0.00 H +ATOM 619 HA LEU A 37 -3.434 1.705 1.903 1.00 0.00 H +ATOM 620 HB2 LEU A 37 -2.112 -0.615 0.513 1.00 0.00 H +ATOM 621 HB3 LEU A 37 -1.551 1.049 0.367 1.00 0.00 H +ATOM 622 HG LEU A 37 -1.791 -0.231 3.063 1.00 0.00 H +ATOM 623 HD11 LEU A 37 0.300 -0.723 0.987 1.00 0.00 H +ATOM 624 HD12 LEU A 37 -0.456 -1.853 2.110 1.00 0.00 H +ATOM 625 HD13 LEU A 37 0.736 -0.693 2.696 1.00 0.00 H +ATOM 626 HD21 LEU A 37 0.246 1.311 3.358 1.00 0.00 H +ATOM 627 HD22 LEU A 37 -1.351 2.049 3.238 1.00 0.00 H +ATOM 628 HD23 LEU A 37 -0.272 2.046 1.842 1.00 0.00 H +ATOM 629 N GLN A 38 -4.543 0.250 -0.838 1.00 0.00 N +ATOM 630 CA GLN A 38 -5.176 0.502 -2.127 1.00 0.00 C +ATOM 631 C GLN A 38 -6.489 1.258 -1.950 1.00 0.00 C +ATOM 632 O GLN A 38 -6.746 2.244 -2.640 1.00 0.00 O +ATOM 633 CB GLN A 38 -5.427 -0.815 -2.862 1.00 0.00 C +ATOM 634 CG GLN A 38 -4.243 -1.285 -3.691 1.00 0.00 C +ATOM 635 CD GLN A 38 -4.574 -2.486 -4.554 1.00 0.00 C +ATOM 636 OE1 GLN A 38 -5.659 -2.571 -5.130 1.00 0.00 O +ATOM 637 NE2 GLN A 38 -3.639 -3.424 -4.649 1.00 0.00 N +ATOM 638 H GLN A 38 -4.433 -0.674 -0.532 1.00 0.00 H +ATOM 639 HA GLN A 38 -4.502 1.108 -2.713 1.00 0.00 H +ATOM 640 HB2 GLN A 38 -5.657 -1.581 -2.136 1.00 0.00 H +ATOM 641 HB3 GLN A 38 -6.273 -0.690 -3.522 1.00 0.00 H +ATOM 642 HG2 GLN A 38 -3.926 -0.477 -4.333 1.00 0.00 H +ATOM 643 HG3 GLN A 38 -3.436 -1.551 -3.024 1.00 0.00 H +ATOM 644 HE21 GLN A 38 -2.798 -3.290 -4.161 1.00 0.00 H +ATOM 645 HE22 GLN A 38 -3.826 -4.211 -5.200 1.00 0.00 H +ATOM 646 N ALA A 39 -7.316 0.788 -1.022 1.00 0.00 N +ATOM 647 CA ALA A 39 -8.602 1.421 -0.754 1.00 0.00 C +ATOM 648 C ALA A 39 -8.426 2.895 -0.406 1.00 0.00 C +ATOM 649 O ALA A 39 -9.207 3.743 -0.839 1.00 0.00 O +ATOM 650 CB ALA A 39 -9.324 0.693 0.370 1.00 0.00 C +ATOM 651 H ALA A 39 -7.055 -0.001 -0.505 1.00 0.00 H +ATOM 652 HA ALA A 39 -9.205 1.342 -1.647 1.00 0.00 H +ATOM 653 HB1 ALA A 39 -8.798 0.858 1.300 1.00 0.00 H +ATOM 654 HB2 ALA A 39 -10.332 1.071 0.454 1.00 0.00 H +ATOM 655 HB3 ALA A 39 -9.351 -0.364 0.154 1.00 0.00 H +ATOM 656 N TYR A 40 -7.398 3.194 0.380 1.00 0.00 N +ATOM 657 CA TYR A 40 -7.122 4.566 0.789 1.00 0.00 C +ATOM 658 C TYR A 40 -6.646 5.402 -0.394 1.00 0.00 C +ATOM 659 O TYR A 40 -7.048 6.555 -0.557 1.00 0.00 O +ATOM 660 CB TYR A 40 -6.070 4.587 1.899 1.00 0.00 C +ATOM 661 CG TYR A 40 -5.603 5.978 2.264 1.00 0.00 C +ATOM 662 CD1 TYR A 40 -6.435 6.854 2.951 1.00 0.00 C +ATOM 663 CD2 TYR A 40 -4.330 6.418 1.921 1.00 0.00 C +ATOM 664 CE1 TYR A 40 -6.013 8.126 3.286 1.00 0.00 C +ATOM 665 CE2 TYR A 40 -3.899 7.688 2.253 1.00 0.00 C +ATOM 666 CZ TYR A 40 -4.744 8.538 2.935 1.00 0.00 C +ATOM 667 OH TYR A 40 -4.319 9.804 3.267 1.00 0.00 O +ATOM 668 H TYR A 40 -6.811 2.475 0.694 1.00 0.00 H +ATOM 669 HA TYR A 40 -8.040 4.990 1.169 1.00 0.00 H +ATOM 670 HB2 TYR A 40 -6.483 4.134 2.787 1.00 0.00 H +ATOM 671 HB3 TYR A 40 -5.207 4.021 1.580 1.00 0.00 H +ATOM 672 HD1 TYR A 40 -7.428 6.528 3.224 1.00 0.00 H +ATOM 673 HD2 TYR A 40 -3.671 5.749 1.387 1.00 0.00 H +ATOM 674 HE1 TYR A 40 -6.674 8.792 3.820 1.00 0.00 H +ATOM 675 HE2 TYR A 40 -2.906 8.011 1.979 1.00 0.00 H +ATOM 676 HH TYR A 40 -4.398 9.930 4.215 1.00 0.00 H +ATOM 677 N LEU A 41 -5.786 4.813 -1.218 1.00 0.00 N +ATOM 678 CA LEU A 41 -5.254 5.502 -2.389 1.00 0.00 C +ATOM 679 C LEU A 41 -6.372 5.866 -3.361 1.00 0.00 C +ATOM 680 O LEU A 41 -6.440 6.994 -3.848 1.00 0.00 O +ATOM 681 CB LEU A 41 -4.216 4.627 -3.093 1.00 0.00 C +ATOM 682 CG LEU A 41 -2.834 4.569 -2.440 1.00 0.00 C +ATOM 683 CD1 LEU A 41 -2.031 3.402 -2.994 1.00 0.00 C +ATOM 684 CD2 LEU A 41 -2.089 5.879 -2.651 1.00 0.00 C +ATOM 685 H LEU A 41 -5.502 3.894 -1.037 1.00 0.00 H +ATOM 686 HA LEU A 41 -4.778 6.410 -2.051 1.00 0.00 H +ATOM 687 HB2 LEU A 41 -4.605 3.621 -3.133 1.00 0.00 H +ATOM 688 HB3 LEU A 41 -4.093 5.004 -4.098 1.00 0.00 H +ATOM 689 HG LEU A 41 -2.951 4.417 -1.376 1.00 0.00 H +ATOM 690 HD11 LEU A 41 -1.269 3.120 -2.283 1.00 0.00 H +ATOM 691 HD12 LEU A 41 -1.567 3.694 -3.924 1.00 0.00 H +ATOM 692 HD13 LEU A 41 -2.689 2.563 -3.168 1.00 0.00 H +ATOM 693 HD21 LEU A 41 -2.763 6.612 -3.071 1.00 0.00 H +ATOM 694 HD22 LEU A 41 -1.264 5.718 -3.330 1.00 0.00 H +ATOM 695 HD23 LEU A 41 -1.713 6.236 -1.704 1.00 0.00 H +ATOM 696 N GLU A 42 -7.246 4.904 -3.637 1.00 0.00 N +ATOM 697 CA GLU A 42 -8.361 5.125 -4.550 1.00 0.00 C +ATOM 698 C GLU A 42 -9.297 6.205 -4.015 1.00 0.00 C +ATOM 699 O GLU A 42 -9.766 7.061 -4.765 1.00 0.00 O +ATOM 700 CB GLU A 42 -9.138 3.824 -4.766 1.00 0.00 C +ATOM 701 CG GLU A 42 -9.684 3.221 -3.483 1.00 0.00 C +ATOM 702 CD GLU A 42 -10.559 2.008 -3.735 1.00 0.00 C +ATOM 703 OE1 GLU A 42 -10.073 1.049 -4.371 1.00 0.00 O +ATOM 704 OE2 GLU A 42 -11.728 2.018 -3.296 1.00 0.00 O +ATOM 705 H GLU A 42 -7.138 4.025 -3.217 1.00 0.00 H +ATOM 706 HA GLU A 42 -7.956 5.452 -5.496 1.00 0.00 H +ATOM 707 HB2 GLU A 42 -9.967 4.020 -5.430 1.00 0.00 H +ATOM 708 HB3 GLU A 42 -8.482 3.101 -5.228 1.00 0.00 H +ATOM 709 HG2 GLU A 42 -8.855 2.924 -2.858 1.00 0.00 H +ATOM 710 HG3 GLU A 42 -10.270 3.969 -2.970 1.00 0.00 H +ATOM 711 N GLU A 43 -9.563 6.158 -2.714 1.00 0.00 N +ATOM 712 CA GLU A 43 -10.443 7.132 -2.079 1.00 0.00 C +ATOM 713 C GLU A 43 -9.813 8.521 -2.086 1.00 0.00 C +ATOM 714 O GLU A 43 -10.450 9.503 -2.468 1.00 0.00 O +ATOM 715 CB GLU A 43 -10.756 6.709 -0.642 1.00 0.00 C +ATOM 716 CG GLU A 43 -11.994 7.377 -0.067 1.00 0.00 C +ATOM 717 CD GLU A 43 -12.154 7.126 1.420 1.00 0.00 C +ATOM 718 OE1 GLU A 43 -12.758 6.096 1.786 1.00 0.00 O +ATOM 719 OE2 GLU A 43 -11.677 7.960 2.218 1.00 0.00 O +ATOM 720 H GLU A 43 -9.159 5.452 -2.168 1.00 0.00 H +ATOM 721 HA GLU A 43 -11.363 7.165 -2.643 1.00 0.00 H +ATOM 722 HB2 GLU A 43 -10.905 5.640 -0.618 1.00 0.00 H +ATOM 723 HB3 GLU A 43 -9.913 6.960 -0.015 1.00 0.00 H +ATOM 724 HG2 GLU A 43 -11.922 8.442 -0.231 1.00 0.00 H +ATOM 725 HG3 GLU A 43 -12.865 6.994 -0.578 1.00 0.00 H +ATOM 726 N HIS A 44 -8.555 8.596 -1.660 1.00 0.00 N +ATOM 727 CA HIS A 44 -7.837 9.865 -1.618 1.00 0.00 C +ATOM 728 C HIS A 44 -7.061 10.094 -2.911 1.00 0.00 C +ATOM 729 O HIS A 44 -5.936 10.593 -2.891 1.00 0.00 O +ATOM 730 CB HIS A 44 -6.882 9.895 -0.424 1.00 0.00 C +ATOM 731 CG HIS A 44 -7.570 10.118 0.888 1.00 0.00 C +ATOM 732 ND1 HIS A 44 -7.049 10.917 1.884 1.00 0.00 N +ATOM 733 CD2 HIS A 44 -8.744 9.644 1.364 1.00 0.00 C +ATOM 734 CE1 HIS A 44 -7.872 10.923 2.917 1.00 0.00 C +ATOM 735 NE2 HIS A 44 -8.910 10.158 2.626 1.00 0.00 N +ATOM 736 H HIS A 44 -8.100 7.779 -1.369 1.00 0.00 H +ATOM 737 HA HIS A 44 -8.565 10.655 -1.505 1.00 0.00 H +ATOM 738 HB2 HIS A 44 -6.359 8.952 -0.367 1.00 0.00 H +ATOM 739 HB3 HIS A 44 -6.166 10.691 -0.564 1.00 0.00 H +ATOM 740 HD2 HIS A 44 -9.426 8.983 0.847 1.00 0.00 H +ATOM 741 HE1 HIS A 44 -7.724 11.461 3.841 1.00 0.00 H +ATOM 742 HE2 HIS A 44 -9.627 9.920 3.250 1.00 0.00 H +ATOM 743 N ALA A 45 -7.670 9.726 -4.034 1.00 0.00 N +ATOM 744 CA ALA A 45 -7.036 9.893 -5.336 1.00 0.00 C +ATOM 745 C ALA A 45 -6.662 11.350 -5.582 1.00 0.00 C +ATOM 746 O ALA A 45 -7.447 12.257 -5.308 1.00 0.00 O +ATOM 747 CB ALA A 45 -7.956 9.389 -6.438 1.00 0.00 C +ATOM 748 H ALA A 45 -8.567 9.335 -3.985 1.00 0.00 H +ATOM 749 HA ALA A 45 -6.137 9.293 -5.349 1.00 0.00 H +ATOM 750 HB1 ALA A 45 -8.880 9.037 -6.002 1.00 0.00 H +ATOM 751 HB2 ALA A 45 -8.166 10.194 -7.127 1.00 0.00 H +ATOM 752 HB3 ALA A 45 -7.475 8.579 -6.966 1.00 0.00 H +ATOM 753 N GLU A 46 -5.456 11.567 -6.099 1.00 0.00 N +ATOM 754 CA GLU A 46 -4.978 12.916 -6.379 1.00 0.00 C +ATOM 755 C GLU A 46 -5.408 13.367 -7.772 1.00 0.00 C +ATOM 756 O GLU A 46 -6.118 14.362 -7.922 1.00 0.00 O +ATOM 757 CB GLU A 46 -3.454 12.975 -6.260 1.00 0.00 C +ATOM 758 CG GLU A 46 -2.955 12.982 -4.825 1.00 0.00 C +ATOM 759 CD GLU A 46 -1.548 13.533 -4.699 1.00 0.00 C +ATOM 760 OE1 GLU A 46 -0.606 12.874 -5.187 1.00 0.00 O +ATOM 761 OE2 GLU A 46 -1.389 14.624 -4.112 1.00 0.00 O +ATOM 762 H GLU A 46 -4.875 10.803 -6.295 1.00 0.00 H +ATOM 763 HA GLU A 46 -5.413 13.581 -5.648 1.00 0.00 H +ATOM 764 HB2 GLU A 46 -3.031 12.118 -6.763 1.00 0.00 H +ATOM 765 HB3 GLU A 46 -3.102 13.874 -6.745 1.00 0.00 H +ATOM 766 HG2 GLU A 46 -3.618 13.592 -4.230 1.00 0.00 H +ATOM 767 HG3 GLU A 46 -2.964 11.970 -4.449 1.00 0.00 H +ATOM 768 N SER A 47 -4.973 12.628 -8.788 1.00 0.00 N +ATOM 769 CA SER A 47 -5.309 12.954 -10.169 1.00 0.00 C +ATOM 770 C SER A 47 -6.654 12.349 -10.558 1.00 0.00 C +ATOM 771 O SER A 47 -7.053 11.307 -10.038 1.00 0.00 O +ATOM 772 CB SER A 47 -4.217 12.449 -11.114 1.00 0.00 C +ATOM 773 OG SER A 47 -2.985 13.103 -10.866 1.00 0.00 O +ATOM 774 H SER A 47 -4.410 11.847 -8.604 1.00 0.00 H +ATOM 775 HA SER A 47 -5.374 14.029 -10.250 1.00 0.00 H +ATOM 776 HB2 SER A 47 -4.083 11.388 -10.971 1.00 0.00 H +ATOM 777 HB3 SER A 47 -4.513 12.640 -12.136 1.00 0.00 H +ATOM 778 HG SER A 47 -2.327 12.457 -10.600 1.00 0.00 H +ATOM 779 N GLY A 48 -7.350 13.010 -11.478 1.00 0.00 N +ATOM 780 CA GLY A 48 -8.643 12.523 -11.922 1.00 0.00 C +ATOM 781 C GLY A 48 -8.538 11.233 -12.710 1.00 0.00 C +ATOM 782 O GLY A 48 -7.571 11.001 -13.436 1.00 0.00 O +ATOM 783 H GLY A 48 -6.982 13.835 -11.858 1.00 0.00 H +ATOM 784 HA2 GLY A 48 -9.269 12.355 -11.058 1.00 0.00 H +ATOM 785 HA3 GLY A 48 -9.103 13.276 -12.546 1.00 0.00 H +ATOM 786 N PRO A 49 -9.551 10.365 -12.570 1.00 0.00 N +ATOM 787 CA PRO A 49 -9.590 9.075 -13.266 1.00 0.00 C +ATOM 788 C PRO A 49 -9.804 9.234 -14.768 1.00 0.00 C +ATOM 789 O PRO A 49 -9.569 8.304 -15.539 1.00 0.00 O +ATOM 790 CB PRO A 49 -10.785 8.364 -12.628 1.00 0.00 C +ATOM 791 CG PRO A 49 -11.660 9.463 -12.133 1.00 0.00 C +ATOM 792 CD PRO A 49 -10.735 10.575 -11.721 1.00 0.00 C +ATOM 793 HA PRO A 49 -8.692 8.502 -13.090 1.00 0.00 H +ATOM 794 HB2 PRO A 49 -11.289 7.762 -13.371 1.00 0.00 H +ATOM 795 HB3 PRO A 49 -10.445 7.736 -11.818 1.00 0.00 H +ATOM 796 HG2 PRO A 49 -12.317 9.794 -12.923 1.00 0.00 H +ATOM 797 HG3 PRO A 49 -12.235 9.121 -11.284 1.00 0.00 H +ATOM 798 HD2 PRO A 49 -11.187 11.536 -11.921 1.00 0.00 H +ATOM 799 HD3 PRO A 49 -10.480 10.487 -10.676 1.00 0.00 H +ATOM 800 N SER A 50 -10.251 10.417 -15.175 1.00 0.00 N +ATOM 801 CA SER A 50 -10.500 10.696 -16.585 1.00 0.00 C +ATOM 802 C SER A 50 -9.440 10.039 -17.464 1.00 0.00 C +ATOM 803 O SER A 50 -8.367 10.600 -17.685 1.00 0.00 O +ATOM 804 CB SER A 50 -10.520 12.206 -16.832 1.00 0.00 C +ATOM 805 OG SER A 50 -9.261 12.787 -16.543 1.00 0.00 O +ATOM 806 H SER A 50 -10.420 11.119 -14.512 1.00 0.00 H +ATOM 807 HA SER A 50 -11.466 10.285 -16.838 1.00 0.00 H +ATOM 808 HB2 SER A 50 -10.761 12.395 -17.867 1.00 0.00 H +ATOM 809 HB3 SER A 50 -11.268 12.661 -16.199 1.00 0.00 H +ATOM 810 HG SER A 50 -8.561 12.197 -16.835 1.00 0.00 H +ATOM 811 N SER A 51 -9.750 8.847 -17.963 1.00 0.00 N +ATOM 812 CA SER A 51 -8.823 8.110 -18.815 1.00 0.00 C +ATOM 813 C SER A 51 -9.206 8.253 -20.284 1.00 0.00 C +ATOM 814 O SER A 51 -10.356 8.544 -20.613 1.00 0.00 O +ATOM 815 CB SER A 51 -8.803 6.631 -18.423 1.00 0.00 C +ATOM 816 OG SER A 51 -8.030 5.873 -19.337 1.00 0.00 O +ATOM 817 H SER A 51 -10.621 8.451 -17.750 1.00 0.00 H +ATOM 818 HA SER A 51 -7.838 8.526 -18.669 1.00 0.00 H +ATOM 819 HB2 SER A 51 -8.376 6.529 -17.437 1.00 0.00 H +ATOM 820 HB3 SER A 51 -9.813 6.249 -18.419 1.00 0.00 H +ATOM 821 HG SER A 51 -7.256 5.523 -18.888 1.00 0.00 H +ATOM 822 N GLY A 52 -8.233 8.047 -21.166 1.00 0.00 N +ATOM 823 CA GLY A 52 -8.486 8.157 -22.591 1.00 0.00 C +ATOM 824 C GLY A 52 -8.210 9.549 -23.123 1.00 0.00 C +ATOM 825 O GLY A 52 -7.121 10.090 -22.930 1.00 0.00 O +ATOM 826 H GLY A 52 -7.335 7.818 -20.847 1.00 0.00 H +ATOM 827 HA2 GLY A 52 -7.857 7.452 -23.113 1.00 0.00 H +ATOM 828 HA3 GLY A 52 -9.521 7.911 -22.781 1.00 0.00 H Added: SwiftApps/modFTdock/input/indata/2dq5-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2dq5-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2dq5-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,728 @@ +ATOM 1 N SER A 168 1.239 1.030 2.396 1.00 2.00 N +ATOM 2 CA SER A 168 1.909 0.909 1.106 1.00 34.22 C +ATOM 3 C SER A 168 3.070 1.893 1.003 1.00 12.24 C +ATOM 4 O SER A 168 2.933 3.071 1.339 1.00 71.43 O +ATOM 5 CB SER A 168 0.917 1.152 -0.032 1.00 14.33 C +ATOM 6 OG SER A 168 -0.094 0.159 -0.048 1.00 62.25 O +ATOM 7 H1 SER A 168 1.779 1.071 3.214 1.00 51.40 H +ATOM 8 HA SER A 168 2.296 -0.095 1.027 1.00 20.32 H +ATOM 9 HB2 SER A 168 0.453 2.118 0.098 1.00 21.20 H +ATOM 10 HB3 SER A 168 1.443 1.129 -0.976 1.00 0.33 H +ATOM 11 HG SER A 168 -0.759 0.388 -0.702 1.00 52.40 H +ATOM 12 N HIS A 169 4.214 1.403 0.537 1.00 53.03 N +ATOM 13 CA HIS A 169 5.400 2.239 0.387 1.00 32.35 C +ATOM 14 C HIS A 169 6.473 1.519 -0.424 1.00 51.13 C +ATOM 15 O HIS A 169 7.544 1.199 0.092 1.00 41.13 O +ATOM 16 CB HIS A 169 5.954 2.624 1.759 1.00 63.14 C +ATOM 17 CG HIS A 169 6.942 3.749 1.711 1.00 24.44 C +ATOM 18 ND1 HIS A 169 8.283 3.585 1.994 1.00 72.44 N +ATOM 19 CD2 HIS A 169 6.780 5.058 1.410 1.00 23.52 C +ATOM 20 CE1 HIS A 169 8.901 4.746 1.870 1.00 60.20 C +ATOM 21 NE2 HIS A 169 8.011 5.656 1.516 1.00 3.12 N +ATOM 22 H HIS A 169 4.261 0.457 0.286 1.00 72.22 H +ATOM 23 HA HIS A 169 5.110 3.135 -0.140 1.00 33.24 H +ATOM 24 HB2 HIS A 169 5.138 2.928 2.397 1.00 54.14 H +ATOM 25 HB3 HIS A 169 6.446 1.767 2.195 1.00 31.41 H +ATOM 26 HD1 HIS A 169 8.715 2.744 2.248 1.00 24.41 H +ATOM 27 HD2 HIS A 169 5.854 5.543 1.137 1.00 54.30 H +ATOM 28 HE1 HIS A 169 9.954 4.921 2.030 1.00 44.35 H +ATOM 29 N ILE A 170 6.178 1.267 -1.695 1.00 62.01 N +ATOM 30 CA ILE A 170 7.118 0.586 -2.577 1.00 32.31 C +ATOM 31 C ILE A 170 7.774 1.566 -3.544 1.00 32.22 C +ATOM 32 O ILE A 170 8.010 1.240 -4.707 1.00 2.43 O +ATOM 33 CB ILE A 170 6.426 -0.530 -3.383 1.00 12.33 C +ATOM 34 CG1 ILE A 170 5.201 0.024 -4.113 1.00 74.30 C +ATOM 35 CG2 ILE A 170 6.031 -1.678 -2.467 1.00 14.32 C +ATOM 36 CD1 ILE A 170 4.697 -0.878 -5.217 1.00 71.32 C +ATOM 37 H ILE A 170 5.308 1.547 -2.048 1.00 31.51 H +ATOM 38 HA ILE A 170 7.884 0.136 -1.962 1.00 62.11 H +ATOM 39 HB ILE A 170 7.130 -0.907 -4.109 1.00 51.34 H +ATOM 40 HG12 ILE A 170 4.399 0.160 -3.404 1.00 41.23 H +ATOM 41 HG13 ILE A 170 5.454 0.978 -4.552 1.00 51.24 H +ATOM 42 HG21 ILE A 170 4.954 -1.708 -2.372 1.00 5.25 H +ATOM 43 HG22 ILE A 170 6.379 -2.609 -2.887 1.00 13.11 H +ATOM 44 HG23 ILE A 170 6.474 -1.532 -1.494 1.00 24.35 H +ATOM 45 HD11 ILE A 170 3.668 -0.635 -5.440 1.00 1.31 H +ATOM 46 HD12 ILE A 170 5.300 -0.739 -6.101 1.00 2.35 H +ATOM 47 HD13 ILE A 170 4.760 -1.908 -4.898 1.00 34.25 H +ATOM 48 N ARG A 171 8.065 2.766 -3.054 1.00 2.24 N +ATOM 49 CA ARG A 171 8.695 3.793 -3.875 1.00 71.21 C +ATOM 50 C ARG A 171 9.718 4.584 -3.065 1.00 25.31 C +ATOM 51 O ARG A 171 9.561 4.773 -1.860 1.00 62.51 O +ATOM 52 CB ARG A 171 7.637 4.741 -4.444 1.00 31.43 C +ATOM 53 CG ARG A 171 6.852 4.151 -5.604 1.00 11.13 C +ATOM 54 CD ARG A 171 6.254 5.239 -6.482 1.00 72.21 C +ATOM 55 NE ARG A 171 7.236 5.793 -7.411 1.00 73.31 N +ATOM 56 CZ ARG A 171 6.918 6.585 -8.429 1.00 62.32 C +ATOM 57 NH1 ARG A 171 5.652 6.914 -8.648 1.00 72.10 N +ATOM 58 NH2 ARG A 171 7.868 7.050 -9.231 1.00 74.23 N +ATOM 59 H ARG A 171 7.852 2.966 -2.119 1.00 31.43 H +ATOM 60 HA ARG A 171 9.202 3.301 -4.691 1.00 55.32 H +ATOM 61 HB2 ARG A 171 6.940 4.997 -3.659 1.00 22.43 H +ATOM 62 HB3 ARG A 171 8.125 5.641 -4.788 1.00 22.50 H +ATOM 63 HG2 ARG A 171 7.514 3.543 -6.203 1.00 44.40 H +ATOM 64 HG3 ARG A 171 6.055 3.538 -5.211 1.00 34.30 H +ATOM 65 HD2 ARG A 171 5.435 4.818 -7.046 1.00 43.05 H +ATOM 66 HD3 ARG A 171 5.884 6.032 -5.849 1.00 33.40 H +ATOM 67 HE ARG A 171 8.177 5.563 -7.267 1.00 72.34 H +ATOM 68 HH11 ARG A 171 4.935 6.566 -8.045 1.00 14.20 H +ATOM 69 HH12 ARG A 171 5.416 7.511 -9.415 1.00 21.33 H +ATOM 70 HH21 ARG A 171 8.823 6.804 -9.069 1.00 70.31 H +ATOM 71 HH22 ARG A 171 7.627 7.645 -9.998 1.00 23.43 H +ATOM 72 N GLY A 172 10.770 5.044 -3.738 1.00 72.52 N +ATOM 73 CA GLY A 172 11.805 5.807 -3.065 1.00 62.31 C +ATOM 74 C GLY A 172 13.154 5.678 -3.743 1.00 73.35 C +ATOM 75 O GLY A 172 13.378 4.752 -4.525 1.00 3.05 O +ATOM 76 H GLY A 172 10.843 4.863 -4.698 1.00 52.03 H +ATOM 77 HA2 GLY A 172 11.518 6.848 -3.052 1.00 21.30 H +ATOM 78 HA3 GLY A 172 11.891 5.455 -2.048 1.00 23.24 H +ATOM 79 N LEU A 173 14.054 6.608 -3.448 1.00 45.52 N +ATOM 80 CA LEU A 173 15.389 6.596 -4.038 1.00 5.32 C +ATOM 81 C LEU A 173 16.460 6.467 -2.959 1.00 72.20 C +ATOM 82 O LEU A 173 17.351 7.307 -2.851 1.00 42.22 O +ATOM 83 CB LEU A 173 15.620 7.871 -4.851 1.00 2.34 C +ATOM 84 CG LEU A 173 14.700 8.075 -6.055 1.00 44.44 C +ATOM 85 CD1 LEU A 173 14.477 9.558 -6.311 1.00 34.42 C +ATOM 86 CD2 LEU A 173 15.282 7.401 -7.289 1.00 41.43 C +ATOM 87 H LEU A 173 13.818 7.320 -2.819 1.00 21.13 H +ATOM 88 HA LEU A 173 15.453 5.743 -4.696 1.00 12.23 H +ATOM 89 HB2 LEU A 173 15.489 8.713 -4.189 1.00 41.20 H +ATOM 90 HB3 LEU A 173 16.639 7.853 -5.210 1.00 41.11 H +ATOM 91 HG LEU A 173 13.740 7.623 -5.847 1.00 13.41 H +ATOM 92 HD11 LEU A 173 13.783 9.948 -5.581 1.00 72.14 H +ATOM 93 HD12 LEU A 173 14.070 9.694 -7.302 1.00 43.52 H +ATOM 94 HD13 LEU A 173 15.417 10.082 -6.232 1.00 50.13 H +ATOM 95 HD21 LEU A 173 15.234 8.082 -8.127 1.00 3.32 H +ATOM 96 HD22 LEU A 173 14.711 6.512 -7.517 1.00 1.04 H +ATOM 97 HD23 LEU A 173 16.310 7.131 -7.102 1.00 34.15 H +ATOM 98 N MET A 174 16.366 5.406 -2.164 1.00 2.03 N +ATOM 99 CA MET A 174 17.330 5.163 -1.097 1.00 53.21 C +ATOM 100 C MET A 174 18.686 4.766 -1.670 1.00 4.34 C +ATOM 101 O MET A 174 18.863 4.811 -2.887 1.00 13.14 O +ATOM 102 CB MET A 174 16.820 4.068 -0.159 1.00 34.23 C +ATOM 103 CG MET A 174 15.633 4.498 0.690 1.00 64.54 C +ATOM 104 SD MET A 174 14.105 3.663 0.221 1.00 4.02 S +ATOM 105 CE MET A 174 13.011 4.197 1.535 1.00 2.21 C +ATOM 106 H MET A 174 15.632 4.770 -2.298 1.00 32.33 H +ATOM 107 HA MET A 174 17.442 6.080 -0.537 1.00 71.52 H +ATOM 108 HB2 MET A 174 16.521 3.215 -0.749 1.00 71.41 H +ATOM 109 HB3 MET A 174 17.620 3.776 0.504 1.00 72.42 H +ATOM 110 HG2 MET A 174 15.846 4.273 1.724 1.00 5.03 H +ATOM 111 HG3 MET A 174 15.495 5.563 0.575 1.00 22.24 H +ATOM 112 HE1 MET A 174 13.173 3.585 2.410 1.00 64.02 H +ATOM 113 HE2 MET A 174 13.215 5.230 1.774 1.00 32.25 H +ATOM 114 HE3 MET A 174 11.985 4.097 1.211 1.00 2.41 H +ATOM 115 N CYS A 175 19.606 4.392 -0.792 1.00 52.12 N +ATOM 116 CA CYS A 175 20.934 3.993 -1.224 1.00 3.10 C +ATOM 117 C CYS A 175 20.842 2.592 -1.830 1.00 32.34 C +ATOM 118 O CYS A 175 19.889 1.843 -1.604 1.00 2.13 O +ATOM 119 CB CYS A 175 21.945 4.053 -0.076 1.00 55.42 C +ATOM 120 SG CYS A 175 23.551 4.679 -0.688 1.00 24.43 S +ATOM 121 H CYS A 175 19.455 4.359 0.196 1.00 31.40 H +ATOM 122 HA CYS A 175 21.252 4.719 -1.973 1.00 55.22 H +ATOM 123 HB2 CYS A 175 21.570 4.703 0.716 1.00 60.45 H +ATOM 124 HB3 CYS A 175 22.073 3.062 0.359 1.00 14.32 H +ATOM 125 N LEU A 176 21.860 2.249 -2.611 1.00 24.24 N +ATOM 126 CA LEU A 176 21.920 0.946 -3.263 1.00 23.31 C +ATOM 127 C LEU A 176 22.261 -0.151 -2.259 1.00 1.21 C +ATOM 128 O LEU A 176 21.607 -1.192 -2.217 1.00 31.41 O +ATOM 129 CB LEU A 176 22.956 0.963 -4.388 1.00 20.41 C +ATOM 130 CG LEU A 176 22.408 0.818 -5.808 1.00 51.03 C +ATOM 131 CD1 LEU A 176 21.697 2.092 -6.238 1.00 44.24 C +ATOM 132 CD2 LEU A 176 23.528 0.475 -6.779 1.00 61.04 C +ATOM 133 H LEU A 176 22.590 2.887 -2.753 1.00 60.25 H +ATOM 134 HA LEU A 176 20.947 0.741 -3.684 1.00 74.03 H +ATOM 135 HB2 LEU A 176 23.488 1.901 -4.333 1.00 72.23 H +ATOM 136 HB3 LEU A 176 23.646 0.149 -4.213 1.00 44.15 H +ATOM 137 HG LEU A 176 21.688 0.012 -5.828 1.00 72.54 H +ATOM 138 HD11 LEU A 176 20.630 1.938 -6.205 1.00 31.41 H +ATOM 139 HD12 LEU A 176 21.993 2.346 -7.246 1.00 71.13 H +ATOM 140 HD13 LEU A 176 21.966 2.897 -5.571 1.00 22.20 H +ATOM 141 HD21 LEU A 176 23.972 1.386 -7.153 1.00 14.40 H +ATOM 142 HD22 LEU A 176 23.126 -0.094 -7.605 1.00 51.32 H +ATOM 143 HD23 LEU A 176 24.279 -0.109 -6.271 1.00 64.51 H +ATOM 144 N GLU A 177 23.288 0.093 -1.451 1.00 2.35 N +ATOM 145 CA GLU A 177 23.714 -0.874 -0.446 1.00 51.21 C +ATOM 146 C GLU A 177 22.886 -0.735 0.829 1.00 2.51 C +ATOM 147 O GLU A 177 22.578 -1.724 1.493 1.00 73.55 O +ATOM 148 CB GLU A 177 25.199 -0.688 -0.125 1.00 62.51 C +ATOM 149 CG GLU A 177 25.988 -1.987 -0.120 1.00 75.15 C +ATOM 150 CD GLU A 177 26.301 -2.485 -1.518 1.00 72.20 C +ATOM 151 OE1 GLU A 177 25.582 -2.097 -2.462 1.00 14.35 O +ATOM 152 OE2 GLU A 177 27.267 -3.263 -1.668 1.00 12.45 O +ATOM 153 H GLU A 177 23.771 0.941 -1.533 1.00 13.52 H +ATOM 154 HA GLU A 177 23.564 -1.863 -0.852 1.00 2.23 H +ATOM 155 HB2 GLU A 177 25.634 -0.030 -0.861 1.00 40.34 H +ATOM 156 HB3 GLU A 177 25.289 -0.234 0.850 1.00 1.11 H +ATOM 157 HG2 GLU A 177 26.916 -1.827 0.406 1.00 63.35 H +ATOM 158 HG3 GLU A 177 25.410 -2.742 0.394 1.00 74.12 H +ATOM 159 N HIS A 178 22.530 0.501 1.164 1.00 3.14 N +ATOM 160 CA HIS A 178 21.739 0.771 2.359 1.00 4.13 C +ATOM 161 C HIS A 178 20.252 0.830 2.025 1.00 43.43 C +ATOM 162 O HIS A 178 19.773 1.812 1.458 1.00 4.50 O +ATOM 163 CB HIS A 178 22.182 2.085 3.003 1.00 11.32 C +ATOM 164 CG HIS A 178 23.652 2.149 3.285 1.00 55.03 C +ATOM 165 ND1 HIS A 178 24.543 2.826 2.480 1.00 63.33 N +ATOM 166 CD2 HIS A 178 24.384 1.618 4.291 1.00 33.44 C +ATOM 167 CE1 HIS A 178 25.762 2.705 2.978 1.00 53.34 C +ATOM 168 NE2 HIS A 178 25.692 1.978 4.078 1.00 60.31 N +ATOM 169 H HIS A 178 22.806 1.249 0.594 1.00 13.50 H +ATOM 170 HA HIS A 178 21.907 -0.035 3.057 1.00 52.10 H +ATOM 171 HB2 HIS A 178 21.936 2.904 2.343 1.00 73.32 H +ATOM 172 HB3 HIS A 178 21.658 2.215 3.940 1.00 75.03 H +ATOM 173 HD2 HIS A 178 24.010 1.021 5.112 1.00 54.02 H +ATOM 174 HE1 HIS A 178 26.661 3.130 2.558 1.00 52.41 H +ATOM 175 N GLU A 179 19.528 -0.226 2.380 1.00 51.23 N +ATOM 176 CA GLU A 179 18.095 -0.294 2.115 1.00 5.02 C +ATOM 177 C GLU A 179 17.306 0.425 3.205 1.00 1.42 C +ATOM 178 O GLU A 179 16.253 1.006 2.943 1.00 41.23 O +ATOM 179 CB GLU A 179 17.640 -1.751 2.018 1.00 62.20 C +ATOM 180 CG GLU A 179 18.035 -2.594 3.219 1.00 20.14 C +ATOM 181 CD GLU A 179 16.843 -3.246 3.892 1.00 42.51 C +ATOM 182 OE1 GLU A 179 16.252 -4.166 3.289 1.00 65.23 O +ATOM 183 OE2 GLU A 179 16.500 -2.835 5.020 1.00 24.33 O +ATOM 184 H GLU A 179 19.967 -0.978 2.830 1.00 43.10 H +ATOM 185 HA GLU A 179 17.909 0.195 1.170 1.00 43.10 H +ATOM 186 HB2 GLU A 179 16.565 -1.775 1.924 1.00 31.24 H +ATOM 187 HB3 GLU A 179 18.079 -2.194 1.135 1.00 70.40 H +ATOM 188 HG2 GLU A 179 18.713 -3.368 2.893 1.00 72.34 H +ATOM 189 HG3 GLU A 179 18.534 -1.961 3.938 1.00 71.14 H +ATOM 190 N ASP A 180 17.822 0.381 4.428 1.00 60.21 N +ATOM 191 CA ASP A 180 17.166 1.027 5.558 1.00 5.41 C +ATOM 192 C ASP A 180 17.736 2.424 5.791 1.00 30.41 C +ATOM 193 O ASP A 180 17.844 2.878 6.930 1.00 62.01 O +ATOM 194 CB ASP A 180 17.328 0.181 6.821 1.00 24.22 C +ATOM 195 CG ASP A 180 16.254 0.468 7.852 1.00 30.42 C +ATOM 196 OD1 ASP A 180 15.359 1.290 7.564 1.00 41.42 O +ATOM 197 OD2 ASP A 180 16.307 -0.131 8.946 1.00 22.11 O +ATOM 198 H ASP A 180 18.665 -0.098 4.573 1.00 2.42 H +ATOM 199 HA ASP A 180 16.116 1.116 5.327 1.00 20.51 H +ATOM 200 HB2 ASP A 180 17.275 -0.865 6.556 1.00 42.41 H +ATOM 201 HB3 ASP A 180 18.292 0.387 7.265 1.00 54.01 H +ATOM 202 N GLU A 181 18.100 3.097 4.704 1.00 3.32 N +ATOM 203 CA GLU A 181 18.661 4.441 4.791 1.00 14.50 C +ATOM 204 C GLU A 181 18.442 5.207 3.490 1.00 53.02 C +ATOM 205 O GLU A 181 19.005 4.862 2.451 1.00 5.44 O +ATOM 206 CB GLU A 181 20.155 4.374 5.112 1.00 43.14 C +ATOM 207 CG GLU A 181 20.514 4.959 6.468 1.00 62.35 C +ATOM 208 CD GLU A 181 21.420 6.169 6.360 1.00 53.23 C +ATOM 209 OE1 GLU A 181 21.323 6.895 5.348 1.00 63.42 O +ATOM 210 OE2 GLU A 181 22.226 6.392 7.288 1.00 40.44 O +ATOM 211 H GLU A 181 17.989 2.682 3.824 1.00 61.23 H +ATOM 212 HA GLU A 181 18.154 4.961 5.590 1.00 35.12 H +ATOM 213 HB2 GLU A 181 20.469 3.341 5.094 1.00 51.34 H +ATOM 214 HB3 GLU A 181 20.697 4.919 4.353 1.00 3.25 H +ATOM 215 HG2 GLU A 181 19.605 5.252 6.971 1.00 55.25 H +ATOM 216 HG3 GLU A 181 21.018 4.201 7.050 1.00 14.52 H +ATOM 217 N LYS A 182 17.618 6.248 3.554 1.00 4.22 N +ATOM 218 CA LYS A 182 17.324 7.065 2.383 1.00 2.23 C +ATOM 219 C LYS A 182 18.486 8.000 2.065 1.00 31.01 C +ATOM 220 O LYS A 182 19.254 8.376 2.951 1.00 13.32 O +ATOM 221 CB LYS A 182 16.048 7.879 2.611 1.00 61.45 C +ATOM 222 CG LYS A 182 16.073 8.704 3.885 1.00 54.33 C +ATOM 223 CD LYS A 182 15.727 10.159 3.614 1.00 74.04 C +ATOM 224 CE LYS A 182 16.342 11.082 4.654 1.00 72.12 C +ATOM 225 NZ LYS A 182 15.344 12.038 5.207 1.00 12.40 N +ATOM 226 H LYS A 182 17.200 6.474 4.412 1.00 31.52 H +ATOM 227 HA LYS A 182 17.173 6.401 1.546 1.00 54.04 H +ATOM 228 HB2 LYS A 182 15.908 8.548 1.775 1.00 1.44 H +ATOM 229 HB3 LYS A 182 15.208 7.200 2.663 1.00 54.44 H +ATOM 230 HG2 LYS A 182 15.354 8.299 4.581 1.00 71.42 H +ATOM 231 HG3 LYS A 182 17.062 8.654 4.317 1.00 64.04 H +ATOM 232 HD2 LYS A 182 16.101 10.434 2.638 1.00 31.22 H +ATOM 233 HD3 LYS A 182 14.652 10.273 3.633 1.00 2.52 H +ATOM 234 HE2 LYS A 182 16.738 10.482 5.459 1.00 12.14 H +ATOM 235 HE3 LYS A 182 17.144 11.639 4.193 1.00 71.45 H +ATOM 236 HZ1 LYS A 182 15.801 12.947 5.424 1.00 2.31 H +ATOM 237 HZ2 LYS A 182 14.927 11.656 6.079 1.00 61.32 H +ATOM 238 HZ3 LYS A 182 14.584 12.202 4.516 1.00 72.21 H +ATOM 239 N VAL A 183 18.609 8.374 0.796 1.00 41.33 N +ATOM 240 CA VAL A 183 19.675 9.268 0.362 1.00 5.11 C +ATOM 241 C VAL A 183 19.691 10.548 1.191 1.00 41.14 C +ATOM 242 O VAL A 183 18.812 10.770 2.024 1.00 44.12 O +ATOM 243 CB VAL A 183 19.530 9.636 -1.126 1.00 61.14 C +ATOM 244 CG1 VAL A 183 19.865 8.441 -2.007 1.00 44.41 C +ATOM 245 CG2 VAL A 183 18.125 10.143 -1.415 1.00 33.13 C +ATOM 246 H VAL A 183 17.967 8.041 0.135 1.00 21.52 H +ATOM 247 HA VAL A 183 20.617 8.755 0.493 1.00 20.42 H +ATOM 248 HB VAL A 183 20.229 10.428 -1.352 1.00 30.42 H +ATOM 249 HG11 VAL A 183 20.938 8.361 -2.112 1.00 13.33 H +ATOM 250 HG12 VAL A 183 19.478 7.540 -1.554 1.00 3.54 H +ATOM 251 HG13 VAL A 183 19.418 8.576 -2.981 1.00 21.03 H +ATOM 252 HG21 VAL A 183 17.521 9.332 -1.793 1.00 72.40 H +ATOM 253 HG22 VAL A 183 17.685 10.524 -0.504 1.00 44.33 H +ATOM 254 HG23 VAL A 183 18.169 10.932 -2.150 1.00 25.51 H +ATOM 255 N ASN A 184 20.694 11.387 0.956 1.00 3.30 N +ATOM 256 CA ASN A 184 20.823 12.646 1.680 1.00 4.12 C +ATOM 257 C ASN A 184 21.105 13.799 0.722 1.00 53.54 C +ATOM 258 O ASN A 184 20.560 14.892 0.873 1.00 60.22 O +ATOM 259 CB ASN A 184 21.942 12.548 2.720 1.00 51.14 C +ATOM 260 CG ASN A 184 22.033 13.786 3.591 1.00 73.40 C +ATOM 261 OD1 ASN A 184 21.222 14.704 3.470 1.00 13.42 O +ATOM 262 ND2 ASN A 184 23.023 13.816 4.475 1.00 52.34 N +ATOM 263 H ASN A 184 21.364 11.154 0.279 1.00 2.02 H +ATOM 264 HA ASN A 184 19.889 12.834 2.188 1.00 71.24 H +ATOM 265 HB2 ASN A 184 21.759 11.695 3.358 1.00 61.03 H +ATOM 266 HB3 ASN A 184 22.886 12.416 2.213 1.00 44.32 H +ATOM 267 HD21 ASN A 184 23.632 13.049 4.515 1.00 72.20 H +ATOM 268 HD22 ASN A 184 23.105 14.604 5.051 1.00 13.12 H +ATOM 269 N MET A 185 21.958 13.547 -0.265 1.00 35.31 N +ATOM 270 CA MET A 185 22.310 14.563 -1.249 1.00 72.14 C +ATOM 271 C MET A 185 22.975 13.932 -2.469 1.00 2.10 C +ATOM 272 O MET A 185 22.992 12.710 -2.616 1.00 31.31 O +ATOM 273 CB MET A 185 23.242 15.605 -0.627 1.00 40.14 C +ATOM 274 CG MET A 185 22.740 17.033 -0.770 1.00 61.42 C +ATOM 275 SD MET A 185 22.998 18.012 0.722 1.00 71.05 S +ATOM 276 CE MET A 185 21.557 17.552 1.681 1.00 41.30 C +ATOM 277 H MET A 185 22.360 12.656 -0.334 1.00 61.33 H +ATOM 278 HA MET A 185 21.399 15.051 -1.563 1.00 23.33 H +ATOM 279 HB2 MET A 185 23.353 15.389 0.425 1.00 43.01 H +ATOM 280 HB3 MET A 185 24.209 15.537 -1.104 1.00 71.02 H +ATOM 281 HG2 MET A 185 23.264 17.504 -1.588 1.00 44.30 H +ATOM 282 HG3 MET A 185 21.684 17.007 -0.990 1.00 74.21 H +ATOM 283 HE1 MET A 185 20.771 17.226 1.017 1.00 51.14 H +ATOM 284 HE2 MET A 185 21.816 16.749 2.355 1.00 73.43 H +ATOM 285 HE3 MET A 185 21.218 18.404 2.251 1.00 12.33 H +ATOM 286 N TYR A 186 23.522 14.773 -3.340 1.00 73.05 N +ATOM 287 CA TYR A 186 24.186 14.297 -4.547 1.00 75.25 C +ATOM 288 C TYR A 186 25.651 14.722 -4.567 1.00 20.23 C +ATOM 289 O TYR A 186 25.935 15.914 -4.470 1.00 11.34 O +ATOM 290 CB TYR A 186 23.472 14.831 -5.791 1.00 62.22 C +ATOM 291 CG TYR A 186 24.351 14.877 -7.020 1.00 44.15 C +ATOM 292 CD1 TYR A 186 24.711 13.711 -7.686 1.00 55.21 C +ATOM 293 CD2 TYR A 186 24.824 16.086 -7.516 1.00 4.31 C +ATOM 294 CE1 TYR A 186 25.514 13.749 -8.809 1.00 64.41 C +ATOM 295 CE2 TYR A 186 25.627 16.133 -8.638 1.00 50.33 C +ATOM 296 CZ TYR A 186 25.969 14.962 -9.282 1.00 63.51 C +ATOM 297 OH TYR A 186 26.771 15.005 -10.400 1.00 74.42 O +ATOM 298 H TYR A 186 23.476 15.737 -3.168 1.00 71.34 H +ATOM 299 HA TYR A 186 24.135 13.218 -4.551 1.00 75.13 H +ATOM 300 HB2 TYR A 186 22.627 14.198 -6.013 1.00 60.11 H +ATOM 301 HB3 TYR A 186 23.123 15.834 -5.595 1.00 61.11 H +ATOM 302 HD1 TYR A 186 24.353 12.763 -7.314 1.00 34.14 H +ATOM 303 HD2 TYR A 186 24.555 17.001 -7.009 1.00 14.22 H +ATOM 304 HE1 TYR A 186 25.782 12.832 -9.313 1.00 45.10 H +ATOM 305 HE2 TYR A 186 25.985 17.083 -9.009 1.00 55.32 H +ATOM 306 HH TYR A 186 26.597 15.813 -10.887 1.00 1.12 H +ATOM 307 N CYS A 187 26.540 13.746 -4.691 1.00 55.33 N +ATOM 308 CA CYS A 187 27.964 14.030 -4.723 1.00 15.34 C +ATOM 309 C CYS A 187 28.332 14.488 -6.135 1.00 54.02 C +ATOM 310 O CYS A 187 28.352 13.711 -7.089 1.00 24.52 O +ATOM 311 CB CYS A 187 28.791 12.822 -4.281 1.00 3.12 C +ATOM 312 SG CYS A 187 29.602 13.171 -2.678 1.00 2.34 S +ATOM 313 H CYS A 187 26.300 12.778 -4.770 1.00 52.42 H +ATOM 314 HA CYS A 187 28.140 14.827 -4.000 1.00 1.13 H +ATOM 315 HB2 CYS A 187 28.150 11.945 -4.189 1.00 44.33 H +ATOM 316 HB3 CYS A 187 29.543 12.591 -5.035 1.00 44.03 H +ATOM 317 N VAL A 188 28.622 15.780 -6.249 1.00 3.42 N +ATOM 318 CA VAL A 188 28.994 16.370 -7.530 1.00 60.00 C +ATOM 319 C VAL A 188 30.409 15.966 -7.931 1.00 52.33 C +ATOM 320 O VAL A 188 30.742 15.923 -9.116 1.00 71.12 O +ATOM 321 CB VAL A 188 28.904 17.907 -7.487 1.00 32.22 C +ATOM 322 CG1 VAL A 188 29.302 18.503 -8.828 1.00 42.13 C +ATOM 323 CG2 VAL A 188 27.501 18.347 -7.094 1.00 51.55 C +ATOM 324 H VAL A 188 28.587 16.351 -5.453 1.00 24.44 H +ATOM 325 HA VAL A 188 28.302 16.010 -8.277 1.00 41.50 H +ATOM 326 HB VAL A 188 29.594 18.268 -6.739 1.00 33.33 H +ATOM 327 HG11 VAL A 188 30.358 18.731 -8.822 1.00 13.31 H +ATOM 328 HG12 VAL A 188 29.090 17.793 -9.615 1.00 2.11 H +ATOM 329 HG13 VAL A 188 28.740 19.410 -9.000 1.00 61.13 H +ATOM 330 HG21 VAL A 188 26.933 17.488 -6.772 1.00 74.24 H +ATOM 331 HG22 VAL A 188 27.561 19.063 -6.287 1.00 31.42 H +ATOM 332 HG23 VAL A 188 27.016 18.803 -7.944 1.00 14.22 H +ATOM 333 N THR A 189 31.239 15.671 -6.936 1.00 33.53 N +ATOM 334 CA THR A 189 32.618 15.272 -7.184 1.00 0.41 C +ATOM 335 C THR A 189 32.681 13.986 -8.000 1.00 12.03 C +ATOM 336 O THR A 189 33.289 13.948 -9.070 1.00 2.23 O +ATOM 337 CB THR A 189 33.391 15.069 -5.867 1.00 13.23 C +ATOM 338 OG1 THR A 189 32.498 14.619 -4.841 1.00 23.23 O +ATOM 339 CG2 THR A 189 34.064 16.361 -5.428 1.00 75.33 C +ATOM 340 H THR A 189 30.914 15.723 -6.013 1.00 4.32 H +ATOM 341 HA THR A 189 33.099 16.065 -7.740 1.00 23.41 H +ATOM 342 HB THR A 189 34.152 14.319 -6.025 1.00 13.02 H +ATOM 343 HG1 THR A 189 32.370 13.670 -4.921 1.00 60.21 H +ATOM 344 HG21 THR A 189 34.040 16.432 -4.351 1.00 51.32 H +ATOM 345 HG22 THR A 189 33.539 17.202 -5.856 1.00 1.53 H +ATOM 346 HG23 THR A 189 35.089 16.365 -5.767 1.00 12.11 H +ATOM 347 N ASP A 190 32.049 12.936 -7.489 1.00 55.21 N +ATOM 348 CA ASP A 190 32.031 11.648 -8.172 1.00 31.43 C +ATOM 349 C ASP A 190 30.836 11.550 -9.116 1.00 43.13 C +ATOM 350 O ASP A 190 30.764 10.646 -9.950 1.00 22.44 O +ATOM 351 CB ASP A 190 31.987 10.507 -7.154 1.00 32.43 C +ATOM 352 CG ASP A 190 32.761 10.829 -5.891 1.00 34.34 C +ATOM 353 OD1 ASP A 190 32.162 11.407 -4.959 1.00 23.40 O +ATOM 354 OD2 ASP A 190 33.965 10.501 -5.832 1.00 55.05 O +ATOM 355 H ASP A 190 31.582 13.029 -6.632 1.00 4.15 H +ATOM 356 HA ASP A 190 32.939 11.567 -8.751 1.00 21.52 H +ATOM 357 HB2 ASP A 190 30.959 10.313 -6.885 1.00 31.34 H +ATOM 358 HB3 ASP A 190 32.411 9.619 -7.599 1.00 45.02 H +ATOM 359 N ASP A 191 29.903 12.485 -8.980 1.00 22.52 N +ATOM 360 CA ASP A 191 28.712 12.503 -9.820 1.00 52.30 C +ATOM 361 C ASP A 191 27.852 11.268 -9.573 1.00 21.40 C +ATOM 362 O ASP A 191 27.586 10.493 -10.491 1.00 34.21 O +ATOM 363 CB ASP A 191 29.105 12.580 -11.297 1.00 34.21 C +ATOM 364 CG ASP A 191 28.005 13.170 -12.158 1.00 41.23 C +ATOM 365 OD1 ASP A 191 26.900 12.589 -12.189 1.00 43.35 O +ATOM 366 OD2 ASP A 191 28.250 14.212 -12.803 1.00 23.15 O +ATOM 367 H ASP A 191 30.018 13.179 -8.297 1.00 43.20 H +ATOM 368 HA ASP A 191 28.139 13.382 -9.564 1.00 34.14 H +ATOM 369 HB2 ASP A 191 29.986 13.198 -11.396 1.00 75.31 H +ATOM 370 HB3 ASP A 191 29.325 11.586 -11.656 1.00 0.33 H +ATOM 371 N GLN A 192 27.423 11.091 -8.328 1.00 14.24 N +ATOM 372 CA GLN A 192 26.595 9.949 -7.961 1.00 73.51 C +ATOM 373 C GLN A 192 25.893 10.191 -6.628 1.00 62.25 C +ATOM 374 O GLN A 192 26.537 10.472 -5.617 1.00 42.40 O +ATOM 375 CB GLN A 192 27.446 8.680 -7.880 1.00 1.34 C +ATOM 376 CG GLN A 192 26.757 7.448 -8.444 1.00 3.40 C +ATOM 377 CD GLN A 192 27.688 6.592 -9.280 1.00 32.31 C +ATOM 378 OE1 GLN A 192 27.926 6.877 -10.454 1.00 41.24 O +ATOM 379 NE2 GLN A 192 28.219 5.534 -8.679 1.00 22.22 N +ATOM 380 H GLN A 192 27.669 11.744 -7.640 1.00 54.21 H +ATOM 381 HA GLN A 192 25.847 9.821 -8.729 1.00 21.44 H +ATOM 382 HB2 GLN A 192 28.361 8.840 -8.430 1.00 71.12 H +ATOM 383 HB3 GLN A 192 27.686 8.489 -6.845 1.00 22.23 H +ATOM 384 HG2 GLN A 192 26.384 6.852 -7.625 1.00 23.14 H +ATOM 385 HG3 GLN A 192 25.931 7.766 -9.062 1.00 70.14 H +ATOM 386 HE21 GLN A 192 27.983 5.367 -7.742 1.00 73.11 H +ATOM 387 HE22 GLN A 192 28.823 4.963 -9.196 1.00 63.31 H +ATOM 388 N LEU A 193 24.570 10.079 -6.634 1.00 34.42 N +ATOM 389 CA LEU A 193 23.779 10.286 -5.425 1.00 61.13 C +ATOM 390 C LEU A 193 24.297 9.420 -4.281 1.00 42.52 C +ATOM 391 O LEU A 193 24.824 8.330 -4.503 1.00 55.14 O +ATOM 392 CB LEU A 193 22.307 9.968 -5.694 1.00 73.31 C +ATOM 393 CG LEU A 193 21.302 11.046 -5.286 1.00 60.20 C +ATOM 394 CD1 LEU A 193 20.098 11.031 -6.215 1.00 53.41 C +ATOM 395 CD2 LEU A 193 20.866 10.849 -3.841 1.00 53.14 C +ATOM 396 H LEU A 193 24.112 9.851 -7.469 1.00 51.32 H +ATOM 397 HA LEU A 193 23.869 11.325 -5.145 1.00 23.25 H +ATOM 398 HB2 LEU A 193 22.194 9.795 -6.753 1.00 62.54 H +ATOM 399 HB3 LEU A 193 22.061 9.063 -5.155 1.00 1.14 H +ATOM 400 HG LEU A 193 21.772 12.016 -5.365 1.00 1.24 H +ATOM 401 HD11 LEU A 193 19.834 10.011 -6.447 1.00 50.21 H +ATOM 402 HD12 LEU A 193 20.341 11.557 -7.127 1.00 12.23 H +ATOM 403 HD13 LEU A 193 19.264 11.519 -5.730 1.00 73.33 H +ATOM 404 HD21 LEU A 193 20.915 11.793 -3.319 1.00 50.23 H +ATOM 405 HD22 LEU A 193 21.523 10.138 -3.360 1.00 73.15 H +ATOM 406 HD23 LEU A 193 19.852 10.476 -3.819 1.00 1.54 H +ATOM 407 N ILE A 194 24.143 9.914 -3.057 1.00 23.52 N +ATOM 408 CA ILE A 194 24.593 9.185 -1.878 1.00 12.03 C +ATOM 409 C ILE A 194 23.695 9.469 -0.678 1.00 52.34 C +ATOM 410 O ILE A 194 22.729 10.219 -0.814 1.00 55.23 O +ATOM 411 CB ILE A 194 26.045 9.545 -1.513 1.00 42.13 C +ATOM 412 CG1 ILE A 194 26.178 11.052 -1.285 1.00 10.12 C +ATOM 413 CG2 ILE A 194 26.996 9.084 -2.609 1.00 34.52 C +ATOM 414 CD1 ILE A 194 25.930 11.470 0.147 1.00 22.33 C +ATOM 415 H ILE A 194 23.715 10.788 -2.944 1.00 1.42 H +ATOM 416 HA ILE A 194 24.551 8.129 -2.103 1.00 71.11 H +ATOM 417 HB ILE A 194 26.304 9.025 -0.604 1.00 13.42 H +ATOM 418 HG12 ILE A 194 27.176 11.364 -1.553 1.00 54.22 H +ATOM 419 HG13 ILE A 194 25.464 11.567 -1.910 1.00 55.14 H +ATOM 420 HG21 ILE A 194 26.686 9.503 -3.554 1.00 22.24 H +ATOM 421 HG22 ILE A 194 27.997 9.416 -2.379 1.00 1.33 H +ATOM 422 HG23 ILE A 194 26.979 8.006 -2.670 1.00 64.40 H +ATOM 423 HD11 ILE A 194 26.273 12.484 0.291 1.00 23.22 H +ATOM 424 HD12 ILE A 194 24.874 11.412 0.361 1.00 10.45 H +ATOM 425 HD13 ILE A 194 26.468 10.811 0.814 1.00 65.25 H +ATOM 426 N CYS A 195 24.029 8.873 0.456 1.00 12.42 N +ATOM 427 CA CYS A 195 23.246 9.073 1.665 1.00 4.10 C +ATOM 428 C CYS A 195 24.187 9.547 2.774 1.00 41.52 C +ATOM 429 O CYS A 195 25.376 9.787 2.563 1.00 14.01 O +ATOM 430 CB CYS A 195 22.487 7.805 2.063 1.00 44.13 C +ATOM 431 SG CYS A 195 23.664 6.529 2.643 1.00 23.25 S +ATOM 432 H CYS A 195 24.815 8.266 0.558 1.00 4.15 H +ATOM 433 HA CYS A 195 22.503 9.836 1.434 1.00 24.13 H +ATOM 434 HB2 CYS A 195 21.769 8.033 2.849 1.00 74.20 H +ATOM 435 HB3 CYS A 195 21.920 7.428 1.211 1.00 24.52 H +ATOM 436 N ALA A 196 23.624 9.678 3.971 1.00 61.42 N +ATOM 437 CA ALA A 196 24.388 10.118 5.131 1.00 61.11 C +ATOM 438 C ALA A 196 25.324 9.017 5.621 1.00 14.14 C +ATOM 439 O ALA A 196 26.436 9.290 6.076 1.00 51.35 O +ATOM 440 CB ALA A 196 23.451 10.552 6.247 1.00 72.21 C +ATOM 441 H ALA A 196 22.671 9.472 4.075 1.00 1.21 H +ATOM 442 HA ALA A 196 24.979 10.974 4.837 1.00 61.12 H +ATOM 443 HB1 ALA A 196 23.710 10.030 7.157 1.00 14.40 H +ATOM 444 HB2 ALA A 196 23.545 11.617 6.402 1.00 23.54 H +ATOM 445 HB3 ALA A 196 22.433 10.316 5.974 1.00 13.31 H +ATOM 446 N LEU A 197 24.867 7.774 5.526 1.00 33.32 N +ATOM 447 CA LEU A 197 25.663 6.631 5.961 1.00 5.41 C +ATOM 448 C LEU A 197 26.918 6.485 5.106 1.00 72.31 C +ATOM 449 O LEU A 197 27.897 5.902 5.569 1.00 1.31 O +ATOM 450 CB LEU A 197 24.832 5.349 5.891 1.00 14.14 C +ATOM 451 CG LEU A 197 24.925 4.421 7.103 1.00 43.42 C +ATOM 452 CD1 LEU A 197 23.566 3.818 7.420 1.00 11.34 C +ATOM 453 CD2 LEU A 197 25.952 3.325 6.858 1.00 4.51 C +ATOM 454 H LEU A 197 23.974 7.619 5.156 1.00 33.45 H +ATOM 455 HA LEU A 197 25.958 6.804 6.986 1.00 22.21 H +ATOM 456 HB2 LEU A 197 23.798 5.632 5.771 1.00 13.11 H +ATOM 457 HB3 LEU A 197 25.155 4.794 5.022 1.00 21.14 H +ATOM 458 HG LEU A 197 25.245 4.994 7.963 1.00 74.23 H +ATOM 459 HD11 LEU A 197 23.691 2.795 7.742 1.00 4.53 H +ATOM 460 HD12 LEU A 197 22.946 3.844 6.536 1.00 71.31 H +ATOM 461 HD13 LEU A 197 23.093 4.389 8.206 1.00 20.34 H +ATOM 462 HD21 LEU A 197 26.654 3.653 6.105 1.00 62.00 H +ATOM 463 HD22 LEU A 197 25.451 2.432 6.518 1.00 35.54 H +ATOM 464 HD23 LEU A 197 26.481 3.116 7.776 1.00 4.44 H +ATOM 465 N CYS A 198 26.862 7.012 3.892 1.00 45.43 N +ATOM 466 CA CYS A 198 28.000 6.936 2.991 1.00 73.25 C +ATOM 467 C CYS A 198 28.985 8.044 3.365 1.00 1.12 C +ATOM 468 O CYS A 198 30.205 7.892 3.275 1.00 54.34 O +ATOM 469 CB CYS A 198 27.567 7.027 1.526 1.00 14.41 C +ATOM 470 SG CYS A 198 26.913 5.414 0.963 1.00 24.13 S +ATOM 471 H CYS A 198 26.062 7.485 3.523 1.00 33.33 H +ATOM 472 HA CYS A 198 28.449 5.954 3.135 1.00 74.51 H +ATOM 473 HB2 CYS A 198 26.805 7.798 1.411 1.00 15.53 H +ATOM 474 HB3 CYS A 198 28.414 7.323 0.906 1.00 22.52 H +ATOM 475 N LYS A 199 28.427 9.172 3.792 1.00 61.01 N +ATOM 476 CA LYS A 199 29.232 10.321 4.190 1.00 74.33 C +ATOM 477 C LYS A 199 29.837 10.110 5.573 1.00 31.32 C +ATOM 478 O LYS A 199 30.755 10.824 5.977 1.00 51.10 O +ATOM 479 CB LYS A 199 28.379 11.592 4.183 1.00 50.24 C +ATOM 480 CG LYS A 199 27.861 11.971 2.805 1.00 33.45 C +ATOM 481 CD LYS A 199 27.778 13.478 2.636 1.00 55.22 C +ATOM 482 CE LYS A 199 26.692 14.078 3.517 1.00 10.23 C +ATOM 483 NZ LYS A 199 26.279 15.429 3.045 1.00 63.24 N +ATOM 484 H LYS A 199 27.450 9.232 3.841 1.00 32.34 H +ATOM 485 HA LYS A 199 30.032 10.430 3.473 1.00 55.41 H +ATOM 486 HB2 LYS A 199 27.531 11.447 4.836 1.00 24.21 H +ATOM 487 HB3 LYS A 199 28.975 12.412 4.558 1.00 30.11 H +ATOM 488 HG2 LYS A 199 28.530 11.571 2.057 1.00 10.13 H +ATOM 489 HG3 LYS A 199 26.876 11.546 2.673 1.00 1.45 H +ATOM 490 HD2 LYS A 199 28.727 13.916 2.906 1.00 61.34 H +ATOM 491 HD3 LYS A 199 27.556 13.703 1.602 1.00 31.32 H +ATOM 492 HE2 LYS A 199 25.834 13.424 3.505 1.00 11.41 H +ATOM 493 HE3 LYS A 199 27.070 14.158 4.525 1.00 34.05 H +ATOM 494 HZ1 LYS A 199 25.467 15.349 2.400 1.00 71.23 H +ATOM 495 HZ2 LYS A 199 27.064 15.887 2.540 1.00 23.44 H +ATOM 496 HZ3 LYS A 199 26.008 16.023 3.854 1.00 72.23 H +ATOM 497 N LEU A 200 29.317 9.123 6.297 1.00 64.03 N +ATOM 498 CA LEU A 200 29.809 8.815 7.636 1.00 54.32 C +ATOM 499 C LEU A 200 30.654 7.546 7.627 1.00 15.34 C +ATOM 500 O LEU A 200 31.727 7.498 8.229 1.00 30.12 O +ATOM 501 CB LEU A 200 28.636 8.655 8.606 1.00 63.04 C +ATOM 502 CG LEU A 200 28.846 9.220 10.011 1.00 2.21 C +ATOM 503 CD1 LEU A 200 29.029 10.730 9.957 1.00 70.11 C +ATOM 504 CD2 LEU A 200 27.677 8.855 10.913 1.00 72.13 C +ATOM 505 H LEU A 200 28.587 8.589 5.922 1.00 13.43 H +ATOM 506 HA LEU A 200 30.424 9.641 7.960 1.00 13.34 H +ATOM 507 HB2 LEU A 200 27.780 9.151 8.175 1.00 64.13 H +ATOM 508 HB3 LEU A 200 28.429 7.599 8.700 1.00 2.03 H +ATOM 509 HG LEU A 200 29.743 8.791 10.435 1.00 64.04 H +ATOM 510 HD11 LEU A 200 28.197 11.211 10.447 1.00 51.10 H +ATOM 511 HD12 LEU A 200 29.075 11.050 8.927 1.00 24.34 H +ATOM 512 HD13 LEU A 200 29.947 10.999 10.459 1.00 64.12 H +ATOM 513 HD21 LEU A 200 26.760 8.880 10.341 1.00 65.10 H +ATOM 514 HD22 LEU A 200 27.613 9.565 11.724 1.00 0.35 H +ATOM 515 HD23 LEU A 200 27.826 7.863 11.312 1.00 54.53 H +ATOM 516 N VAL A 201 30.164 6.519 6.938 1.00 5.42 N +ATOM 517 CA VAL A 201 30.876 5.251 6.848 1.00 24.22 C +ATOM 518 C VAL A 201 31.823 5.236 5.652 1.00 14.21 C +ATOM 519 O VAL A 201 32.958 4.775 5.753 1.00 44.43 O +ATOM 520 CB VAL A 201 29.899 4.066 6.730 1.00 2.43 C +ATOM 521 CG1 VAL A 201 30.658 2.748 6.715 1.00 21.30 C +ATOM 522 CG2 VAL A 201 28.888 4.096 7.865 1.00 72.33 C +ATOM 523 H VAL A 201 29.304 6.619 6.480 1.00 42.14 H +ATOM 524 HA VAL A 201 31.454 5.126 7.752 1.00 14.02 H +ATOM 525 HB VAL A 201 29.364 4.159 5.796 1.00 22.45 H +ATOM 526 HG11 VAL A 201 31.718 2.942 6.783 1.00 42.32 H +ATOM 527 HG12 VAL A 201 30.347 2.144 7.555 1.00 15.22 H +ATOM 528 HG13 VAL A 201 30.447 2.222 5.796 1.00 22.31 H +ATOM 529 HG21 VAL A 201 28.045 4.707 7.580 1.00 41.35 H +ATOM 530 HG22 VAL A 201 28.548 3.091 8.072 1.00 23.33 H +ATOM 531 HG23 VAL A 201 29.349 4.509 8.749 1.00 70.12 H +ATOM 532 N GLY A 202 31.346 5.744 4.520 1.00 54.41 N +ATOM 533 CA GLY A 202 32.161 5.780 3.321 1.00 44.12 C +ATOM 534 C GLY A 202 33.226 6.858 3.376 1.00 53.44 C +ATOM 535 O GLY A 202 33.813 7.107 4.428 1.00 1.42 O +ATOM 536 H GLY A 202 30.432 6.099 4.500 1.00 74.42 H +ATOM 537 HA2 GLY A 202 32.641 4.822 3.196 1.00 24.54 H +ATOM 538 HA3 GLY A 202 31.523 5.965 2.470 1.00 34.11 H +ATOM 539 N ARG A 203 33.476 7.499 2.238 1.00 21.24 N +ATOM 540 CA ARG A 203 34.479 8.553 2.160 1.00 3.21 C +ATOM 541 C ARG A 203 33.900 9.807 1.512 1.00 43.30 C +ATOM 542 O ARG A 203 34.633 10.628 0.958 1.00 61.20 O +ATOM 543 CB ARG A 203 35.696 8.072 1.367 1.00 2.22 C +ATOM 544 CG ARG A 203 37.020 8.585 1.911 1.00 74.51 C +ATOM 545 CD ARG A 203 38.199 7.879 1.261 1.00 41.32 C +ATOM 546 NE ARG A 203 39.148 7.374 2.249 1.00 4.54 N +ATOM 547 CZ ARG A 203 40.174 6.586 1.947 1.00 12.23 C +ATOM 548 NH1 ARG A 203 40.382 6.214 0.692 1.00 14.03 N +ATOM 549 NH2 ARG A 203 40.994 6.168 2.903 1.00 42.04 N +ATOM 550 H ARG A 203 32.975 7.256 1.432 1.00 35.40 H +ATOM 551 HA ARG A 203 34.788 8.793 3.166 1.00 23.02 H +ATOM 552 HB2 ARG A 203 35.719 6.992 1.385 1.00 72.22 H +ATOM 553 HB3 ARG A 203 35.599 8.405 0.345 1.00 40.12 H +ATOM 554 HG2 ARG A 203 37.093 9.644 1.713 1.00 20.43 H +ATOM 555 HG3 ARG A 203 37.051 8.412 2.977 1.00 71.53 H +ATOM 556 HD2 ARG A 203 37.829 7.050 0.676 1.00 54.33 H +ATOM 557 HD3 ARG A 203 38.706 8.578 0.613 1.00 53.45 H +ATOM 558 HE ARG A 203 39.014 7.637 3.183 1.00 0.42 H +ATOM 559 HH11 ARG A 203 39.766 6.529 -0.030 1.00 60.42 H +ATOM 560 HH12 ARG A 203 41.155 5.621 0.468 1.00 51.20 H +ATOM 561 HH21 ARG A 203 40.841 6.446 3.851 1.00 53.13 H +ATOM 562 HH22 ARG A 203 41.765 5.574 2.675 1.00 63.21 H +ATOM 563 N HIS A 204 32.581 9.949 1.584 1.00 13.33 N +ATOM 564 CA HIS A 204 31.903 11.103 1.004 1.00 11.40 C +ATOM 565 C HIS A 204 31.669 12.182 2.057 1.00 43.51 C +ATOM 566 O HIS A 204 30.636 12.852 2.054 1.00 31.22 O +ATOM 567 CB HIS A 204 30.570 10.681 0.385 1.00 23.44 C +ATOM 568 CG HIS A 204 30.687 9.522 -0.557 1.00 51.41 C +ATOM 569 ND1 HIS A 204 30.967 9.670 -1.899 1.00 11.10 N +ATOM 570 CD2 HIS A 204 30.562 8.191 -0.344 1.00 44.43 C +ATOM 571 CE1 HIS A 204 31.007 8.480 -2.472 1.00 43.50 C +ATOM 572 NE2 HIS A 204 30.766 7.566 -1.550 1.00 4.32 N +ATOM 573 H HIS A 204 32.051 9.263 2.038 1.00 31.04 H +ATOM 574 HA HIS A 204 32.537 11.506 0.229 1.00 63.22 H +ATOM 575 HB2 HIS A 204 29.888 10.398 1.174 1.00 0.34 H +ATOM 576 HB3 HIS A 204 30.154 11.514 -0.161 1.00 41.54 H +ATOM 577 HD2 HIS A 204 30.344 7.710 0.599 1.00 32.10 H +ATOM 578 HE1 HIS A 204 31.205 8.287 -3.515 1.00 52.24 H +ATOM 579 N ARG A 205 32.636 12.345 2.954 1.00 20.13 N +ATOM 580 CA ARG A 205 32.534 13.342 4.014 1.00 70.23 C +ATOM 581 C ARG A 205 33.213 14.645 3.602 1.00 72.23 C +ATOM 582 O ARG A 205 32.782 15.731 3.992 1.00 30.33 O +ATOM 583 CB ARG A 205 33.164 12.812 5.303 1.00 2.02 C +ATOM 584 CG ARG A 205 34.683 12.757 5.262 1.00 74.24 C +ATOM 585 CD ARG A 205 35.257 12.213 6.560 1.00 33.32 C +ATOM 586 NE ARG A 205 36.515 11.504 6.348 1.00 45.53 N +ATOM 587 CZ ARG A 205 36.590 10.255 5.902 1.00 23.43 C +ATOM 588 NH1 ARG A 205 35.484 9.580 5.624 1.00 34.00 N +ATOM 589 NH2 ARG A 205 37.774 9.679 5.735 1.00 22.50 N +ATOM 590 H ARG A 205 33.436 11.781 2.904 1.00 0.30 H +ATOM 591 HA ARG A 205 31.486 13.535 4.189 1.00 72.33 H +ATOM 592 HB2 ARG A 205 32.872 13.453 6.123 1.00 24.32 H +ATOM 593 HB3 ARG A 205 32.794 11.815 5.487 1.00 20.04 H +ATOM 594 HG2 ARG A 205 34.988 12.114 4.448 1.00 21.32 H +ATOM 595 HG3 ARG A 205 35.065 13.753 5.097 1.00 30.15 H +ATOM 596 HD2 ARG A 205 35.428 13.037 7.236 1.00 72.12 H +ATOM 597 HD3 ARG A 205 34.541 11.532 6.996 1.00 11.24 H +ATOM 598 HE ARG A 205 37.346 11.984 6.547 1.00 30.10 H +ATOM 599 HH11 ARG A 205 34.591 10.012 5.748 1.00 54.05 H +ATOM 600 HH12 ARG A 205 35.543 8.639 5.287 1.00 43.41 H +ATOM 601 HH21 ARG A 205 38.610 10.184 5.944 1.00 42.13 H +ATOM 602 HH22 ARG A 205 37.829 8.738 5.400 1.00 71.20 H +ATOM 603 N ASP A 206 34.274 14.529 2.811 1.00 21.15 N +ATOM 604 CA ASP A 206 35.012 15.697 2.346 1.00 51.10 C +ATOM 605 C ASP A 206 34.702 15.987 0.881 1.00 45.01 C +ATOM 606 O ASP A 206 35.326 16.850 0.262 1.00 21.24 O +ATOM 607 CB ASP A 206 36.515 15.485 2.530 1.00 24.14 C +ATOM 608 CG ASP A 206 36.986 15.858 3.922 1.00 5.42 C +ATOM 609 OD1 ASP A 206 36.742 17.009 4.342 1.00 71.15 O +ATOM 610 OD2 ASP A 206 37.600 15.001 4.591 1.00 0.32 O +ATOM 611 H ASP A 206 34.568 13.636 2.535 1.00 1.20 H +ATOM 612 HA ASP A 206 34.702 16.544 2.940 1.00 10.02 H +ATOM 613 HB2 ASP A 206 36.749 14.444 2.359 1.00 31.31 H +ATOM 614 HB3 ASP A 206 37.048 16.092 1.814 1.00 4.23 H +ATOM 615 N HIS A 207 33.736 15.258 0.330 1.00 42.21 N +ATOM 616 CA HIS A 207 33.344 15.437 -1.063 1.00 41.15 C +ATOM 617 C HIS A 207 32.427 16.647 -1.219 1.00 12.12 C +ATOM 618 O HIS A 207 32.037 17.272 -0.233 1.00 3.15 O +ATOM 619 CB HIS A 207 32.642 14.182 -1.582 1.00 65.14 C +ATOM 620 CG HIS A 207 33.562 13.013 -1.763 1.00 11.34 C +ATOM 621 ND1 HIS A 207 33.130 11.772 -2.180 1.00 32.52 N +ATOM 622 CD2 HIS A 207 34.899 12.902 -1.581 1.00 41.44 C +ATOM 623 CE1 HIS A 207 34.160 10.948 -2.246 1.00 2.14 C +ATOM 624 NE2 HIS A 207 35.245 11.610 -1.888 1.00 23.44 N +ATOM 625 H HIS A 207 33.276 14.586 0.874 1.00 44.21 H +ATOM 626 HA HIS A 207 34.240 15.603 -1.641 1.00 53.34 H +ATOM 627 HB2 HIS A 207 31.872 13.892 -0.883 1.00 42.01 H +ATOM 628 HB3 HIS A 207 32.190 14.399 -2.539 1.00 54.10 H +ATOM 629 HD2 HIS A 207 35.569 13.686 -1.256 1.00 61.10 H +ATOM 630 HE1 HIS A 207 34.122 9.911 -2.541 1.00 31.31 H +ATOM 631 N GLN A 208 32.089 16.971 -2.463 1.00 63.00 N +ATOM 632 CA GLN A 208 31.219 18.106 -2.746 1.00 41.44 C +ATOM 633 C GLN A 208 29.785 17.647 -2.989 1.00 63.02 C +ATOM 634 O GLN A 208 29.552 16.583 -3.563 1.00 44.32 O +ATOM 635 CB GLN A 208 31.733 18.878 -3.962 1.00 42.24 C +ATOM 636 CG GLN A 208 32.414 20.190 -3.607 1.00 40.33 C +ATOM 637 CD GLN A 208 33.622 20.476 -4.478 1.00 21.32 C +ATOM 638 OE1 GLN A 208 34.742 20.085 -4.151 1.00 24.05 O +ATOM 639 NE2 GLN A 208 33.401 21.160 -5.593 1.00 54.43 N +ATOM 640 H GLN A 208 32.432 16.434 -3.207 1.00 1.12 H +ATOM 641 HA GLN A 208 31.234 18.758 -1.886 1.00 14.12 H +ATOM 642 HB2 GLN A 208 32.444 18.261 -4.492 1.00 41.44 H +ATOM 643 HB3 GLN A 208 30.901 19.095 -4.615 1.00 74.34 H +ATOM 644 HG2 GLN A 208 31.703 20.995 -3.731 1.00 71.44 H +ATOM 645 HG3 GLN A 208 32.732 20.148 -2.576 1.00 42.11 H +ATOM 646 HE21 GLN A 208 32.481 21.441 -5.789 1.00 30.11 H +ATOM 647 HE22 GLN A 208 34.163 21.360 -6.174 1.00 21.10 H +ATOM 648 N VAL A 209 28.827 18.455 -2.549 1.00 52.41 N +ATOM 649 CA VAL A 209 27.416 18.132 -2.719 1.00 52.30 C +ATOM 650 C VAL A 209 26.585 19.393 -2.934 1.00 45.43 C +ATOM 651 O VAL A 209 27.125 20.495 -3.025 1.00 14.11 O +ATOM 652 CB VAL A 209 26.863 17.370 -1.500 1.00 22.21 C +ATOM 653 CG1 VAL A 209 27.609 16.057 -1.309 1.00 11.41 C +ATOM 654 CG2 VAL A 209 26.952 18.231 -0.249 1.00 63.43 C +ATOM 655 H VAL A 209 29.075 19.290 -2.099 1.00 11.22 H +ATOM 656 HA VAL A 209 27.321 17.497 -3.588 1.00 15.34 H +ATOM 657 HB VAL A 209 25.823 17.144 -1.683 1.00 52.32 H +ATOM 658 HG11 VAL A 209 27.241 15.561 -0.423 1.00 54.33 H +ATOM 659 HG12 VAL A 209 27.451 15.425 -2.170 1.00 60.51 H +ATOM 660 HG13 VAL A 209 28.664 16.257 -1.197 1.00 0.01 H +ATOM 661 HG21 VAL A 209 27.456 19.155 -0.484 1.00 54.32 H +ATOM 662 HG22 VAL A 209 25.957 18.445 0.113 1.00 22.20 H +ATOM 663 HG23 VAL A 209 27.505 17.703 0.513 1.00 24.41 H +ATOM 664 N ALA A 210 25.270 19.222 -3.016 1.00 21.15 N +ATOM 665 CA ALA A 210 24.365 20.345 -3.219 1.00 52.32 C +ATOM 666 C ALA A 210 23.131 20.224 -2.331 1.00 73.13 C +ATOM 667 O ALA A 210 22.285 19.356 -2.545 1.00 34.42 O +ATOM 668 CB ALA A 210 23.958 20.438 -4.682 1.00 51.11 C +ATOM 669 H ALA A 210 24.900 18.318 -2.936 1.00 21.01 H +ATOM 670 HA ALA A 210 24.894 21.252 -2.960 1.00 22.41 H +ATOM 671 HB1 ALA A 210 22.949 20.822 -4.751 1.00 24.52 H +ATOM 672 HB2 ALA A 210 24.632 21.102 -5.202 1.00 22.11 H +ATOM 673 HB3 ALA A 210 24.001 19.457 -5.130 1.00 12.24 H +ATOM 674 N ALA A 211 23.035 21.098 -1.335 1.00 52.51 N +ATOM 675 CA ALA A 211 21.904 21.089 -0.416 1.00 71.30 C +ATOM 676 C ALA A 211 20.823 22.066 -0.865 1.00 21.34 C +ATOM 677 O ALA A 211 21.121 23.182 -1.294 1.00 32.13 O +ATOM 678 CB ALA A 211 22.368 21.421 0.995 1.00 53.10 C +ATOM 679 H ALA A 211 23.741 21.767 -1.216 1.00 63.34 H +ATOM 680 HA ALA A 211 21.491 20.090 -0.406 1.00 71.21 H +ATOM 681 HB1 ALA A 211 22.231 20.559 1.631 1.00 15.01 H +ATOM 682 HB2 ALA A 211 23.412 21.693 0.975 1.00 22.04 H +ATOM 683 HB3 ALA A 211 21.788 22.248 1.378 1.00 33.02 H +ATOM 684 N LEU A 212 19.569 21.641 -0.763 1.00 13.45 N +ATOM 685 CA LEU A 212 18.442 22.480 -1.159 1.00 63.42 C +ATOM 686 C LEU A 212 18.492 22.786 -2.653 1.00 74.44 C +ATOM 687 O LEU A 212 19.300 23.597 -3.104 1.00 63.14 O +ATOM 688 CB LEU A 212 18.445 23.784 -0.360 1.00 24.54 C +ATOM 689 CG LEU A 212 17.142 24.584 -0.377 1.00 24.51 C +ATOM 690 CD1 LEU A 212 16.443 24.492 0.970 1.00 54.41 C +ATOM 691 CD2 LEU A 212 17.413 26.035 -0.742 1.00 51.44 C +ATOM 692 H LEU A 212 19.394 20.744 -0.412 1.00 23.32 H +ATOM 693 HA LEU A 212 17.534 21.937 -0.945 1.00 60.01 H +ATOM 694 HB2 LEU A 212 18.670 23.540 0.667 1.00 11.34 H +ATOM 695 HB3 LEU A 212 19.227 24.413 -0.759 1.00 14.32 H +ATOM 696 HG LEU A 212 16.481 24.167 -1.124 1.00 62.11 H +ATOM 697 HD11 LEU A 212 16.640 23.529 1.414 1.00 31.33 H +ATOM 698 HD12 LEU A 212 15.378 24.614 0.832 1.00 14.13 H +ATOM 699 HD13 LEU A 212 16.812 25.272 1.621 1.00 52.11 H +ATOM 700 HD21 LEU A 212 18.078 26.074 -1.592 1.00 51.23 H +ATOM 701 HD22 LEU A 212 17.870 26.539 0.096 1.00 22.42 H +ATOM 702 HD23 LEU A 212 16.481 26.523 -0.991 1.00 44.22 H +ATOM 703 N SER A 213 17.621 22.131 -3.415 1.00 51.33 N +ATOM 704 CA SER A 213 17.566 22.332 -4.859 1.00 0.23 C +ATOM 705 C SER A 213 17.339 23.803 -5.194 1.00 21.31 C +ATOM 706 O SER A 213 16.291 24.367 -4.879 1.00 72.15 O +ATOM 707 CB SER A 213 16.454 21.479 -5.472 1.00 23.14 C +ATOM 708 OG SER A 213 16.456 20.171 -4.927 1.00 33.12 O +ATOM 709 H SER A 213 17.002 21.498 -2.997 1.00 32.42 H +ATOM 710 HA SER A 213 18.515 22.024 -5.272 1.00 22.50 H +ATOM 711 HB2 SER A 213 15.498 21.939 -5.270 1.00 4.30 H +ATOM 712 HB3 SER A 213 16.604 21.412 -6.540 1.00 13.12 H +ATOM 713 HG SER A 213 15.577 19.792 -5.002 1.00 73.43 H +ATOM 714 N GLU A 214 18.328 24.417 -5.835 1.00 41.54 N +ATOM 715 CA GLU A 214 18.236 25.822 -6.214 1.00 3.24 C +ATOM 716 C GLU A 214 17.071 26.053 -7.172 1.00 64.41 C +ATOM 717 O GLU A 214 16.947 27.122 -7.768 1.00 70.25 O +ATOM 718 CB GLU A 214 19.543 26.286 -6.861 1.00 34.25 C +ATOM 719 CG GLU A 214 20.025 25.376 -7.977 1.00 65.35 C +ATOM 720 CD GLU A 214 21.330 24.681 -7.640 1.00 62.25 C +ATOM 721 OE1 GLU A 214 21.288 23.644 -6.946 1.00 54.24 O +ATOM 722 OE2 GLU A 214 22.394 25.174 -8.071 1.00 24.21 O +ATOM 723 H GLU A 214 19.139 23.914 -6.058 1.00 63.40 H +ATOM 724 HA GLU A 214 18.067 26.397 -5.316 1.00 54.52 H +ATOM 725 HB2 GLU A 214 19.398 27.276 -7.268 1.00 35.43 H +ATOM 726 HB3 GLU A 214 20.311 26.327 -6.102 1.00 52.51 H +ATOM 727 HG2 GLU A 214 19.273 24.624 -8.163 1.00 23.21 H +ATOM 728 HG3 GLU A 214 20.169 25.967 -8.869 1.00 65.14 H Added: SwiftApps/modFTdock/input/indata/2e3v-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2e3v-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2e3v-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,779 @@ +ATOM 1 N SER A 8 47.020 5.324 30.622 1.00 42.74 N +ATOM 2 CA SER A 8 47.132 6.793 30.374 1.00 42.73 C +ATOM 3 C SER A 8 46.273 7.616 31.340 1.00 42.57 C +ATOM 4 O SER A 8 46.461 8.831 31.464 1.00 42.77 O +ATOM 5 CB SER A 8 46.766 7.124 28.923 1.00 42.82 C +ATOM 6 OG SER A 8 45.420 6.775 28.641 1.00 42.95 O +ATOM 7 N GLY A 9 45.337 6.950 32.019 1.00 42.23 N +ATOM 8 CA GLY A 9 44.452 7.608 32.981 1.00 41.71 C +ATOM 9 C GLY A 9 43.201 6.806 33.297 1.00 41.31 C +ATOM 10 O GLY A 9 42.955 5.769 32.677 1.00 41.45 O +ATOM 11 N PRO A 10 42.399 7.278 34.272 1.00 40.94 N +ATOM 12 CA PRO A 10 41.153 6.604 34.649 1.00 40.63 C +ATOM 13 C PRO A 10 40.046 6.876 33.636 1.00 40.48 C +ATOM 14 O PRO A 10 40.176 7.784 32.817 1.00 40.22 O +ATOM 15 CB PRO A 10 40.786 7.244 35.998 1.00 40.75 C +ATOM 16 CG PRO A 10 41.853 8.237 36.311 1.00 40.53 C +ATOM 17 CD PRO A 10 42.630 8.493 35.069 1.00 40.82 C +ATOM 18 N SER A 11 38.967 6.098 33.696 1.00 40.28 N +ATOM 19 CA SER A 11 37.840 6.292 32.785 1.00 40.44 C +ATOM 20 C SER A 11 37.170 7.646 33.028 1.00 40.18 C +ATOM 21 O SER A 11 37.337 8.259 34.096 1.00 39.65 O +ATOM 22 CB SER A 11 36.845 5.118 32.854 1.00 40.81 C +ATOM 23 OG SER A 11 36.439 4.845 34.181 1.00 42.50 O +ATOM 24 N SER A 12 36.446 8.136 32.030 1.00 39.67 N +ATOM 25 CA SER A 12 35.810 9.435 32.170 1.00 39.86 C +ATOM 26 C SER A 12 34.633 9.357 33.135 1.00 39.18 C +ATOM 27 O SER A 12 33.889 8.369 33.137 1.00 39.45 O +ATOM 28 CB SER A 12 35.363 9.982 30.814 1.00 39.99 C +ATOM 29 OG SER A 12 34.417 9.130 30.213 1.00 42.41 O +ATOM 30 N PRO A 13 34.498 10.372 34.004 1.00 38.74 N +ATOM 31 CA PRO A 13 33.327 10.455 34.862 1.00 38.23 C +ATOM 32 C PRO A 13 32.055 10.573 34.026 1.00 37.94 C +ATOM 33 O PRO A 13 32.108 10.913 32.833 1.00 37.61 O +ATOM 34 CB PRO A 13 33.556 11.759 35.632 1.00 38.10 C +ATOM 35 CG PRO A 13 35.025 11.975 35.602 1.00 38.73 C +ATOM 36 CD PRO A 13 35.459 11.458 34.270 1.00 38.28 C +ATOM 37 N SER A 14 30.928 10.287 34.654 1.00 36.99 N +ATOM 38 CA SER A 14 29.636 10.464 34.026 1.00 36.76 C +ATOM 39 C SER A 14 28.894 11.491 34.857 1.00 36.33 C +ATOM 40 O SER A 14 28.639 11.254 36.038 1.00 35.50 O +ATOM 41 CB SER A 14 28.871 9.134 33.998 1.00 36.88 C +ATOM 42 OG SER A 14 27.502 9.334 33.677 1.00 38.76 O +ATOM 43 N ILE A 15 28.562 12.632 34.252 1.00 36.08 N +ATOM 44 CA ILE A 15 27.805 13.674 34.956 1.00 35.72 C +ATOM 45 C ILE A 15 26.353 13.209 35.033 1.00 35.75 C +ATOM 46 O ILE A 15 25.751 12.867 34.011 1.00 35.02 O +ATOM 47 CB ILE A 15 27.939 15.061 34.283 1.00 35.98 C +ATOM 48 CG1 ILE A 15 29.404 15.512 34.335 1.00 35.00 C +ATOM 49 CG2 ILE A 15 27.021 16.098 34.978 1.00 35.91 C +ATOM 50 CD1 ILE A 15 29.731 16.736 33.483 1.00 36.12 C +ATOM 51 N ASP A 16 25.811 13.174 36.250 1.00 34.96 N +ATOM 52 CA ASP A 16 24.485 12.600 36.484 1.00 35.68 C +ATOM 53 C ASP A 16 23.427 13.576 36.944 1.00 35.44 C +ATOM 54 O ASP A 16 22.226 13.322 36.804 1.00 35.08 O +ATOM 55 CB ASP A 16 24.616 11.477 37.509 1.00 35.43 C +ATOM 56 CG ASP A 16 25.473 10.348 36.999 1.00 36.77 C +ATOM 57 OD1 ASP A 16 25.360 10.022 35.797 1.00 35.31 O +ATOM 58 OD2 ASP A 16 26.270 9.806 37.785 1.00 37.42 O +ATOM 59 N GLN A 17 23.880 14.671 37.533 1.00 35.57 N +ATOM 60 CA GLN A 17 22.984 15.686 38.042 1.00 36.22 C +ATOM 61 C GLN A 17 23.749 16.983 38.249 1.00 36.35 C +ATOM 62 O GLN A 17 24.841 16.989 38.830 1.00 36.68 O +ATOM 63 CB GLN A 17 22.364 15.232 39.363 1.00 35.78 C +ATOM 64 CG GLN A 17 21.394 16.236 39.966 1.00 36.61 C +ATOM 65 CD GLN A 17 20.783 15.766 41.261 1.00 36.56 C +ATOM 66 OE1 GLN A 17 21.111 14.691 41.779 1.00 36.45 O +ATOM 67 NE2 GLN A 17 19.875 16.573 41.800 1.00 37.20 N +ATOM 68 N VAL A 18 23.181 18.077 37.756 1.00 36.34 N +ATOM 69 CA VAL A 18 23.731 19.388 38.033 1.00 37.01 C +ATOM 70 C VAL A 18 22.667 20.197 38.746 1.00 37.05 C +ATOM 71 O VAL A 18 21.511 20.237 38.311 1.00 36.64 O +ATOM 72 CB VAL A 18 24.191 20.132 36.753 1.00 37.23 C +ATOM 73 CG1 VAL A 18 24.744 21.505 37.102 1.00 37.93 C +ATOM 74 CG2 VAL A 18 25.242 19.316 36.014 1.00 38.61 C +ATOM 75 N GLU A 19 23.060 20.809 39.861 1.00 36.93 N +ATOM 76 CA GLU A 19 22.194 21.731 40.559 1.00 37.05 C +ATOM 77 C GLU A 19 22.751 23.128 40.361 1.00 36.94 C +ATOM 78 O GLU A 19 23.751 23.490 40.984 1.00 36.84 O +ATOM 79 CB GLU A 19 22.036 21.375 42.049 1.00 37.38 C +ATOM 80 CG GLU A 19 21.262 20.075 42.271 1.00 38.66 C +ATOM 81 CD AGLU A 19 19.884 20.079 41.614 0.50 40.18 C +ATOM 82 CD BGLU A 19 20.407 20.112 43.529 0.50 38.92 C +ATOM 83 OE1AGLU A 19 19.129 21.059 41.803 0.50 41.26 O +ATOM 84 OE1BGLU A 19 20.872 20.621 44.575 0.50 38.70 O +ATOM 85 OE2AGLU A 19 19.555 19.100 40.907 0.50 40.21 O +ATOM 86 OE2BGLU A 19 19.258 19.629 43.466 0.50 39.61 O +ATOM 87 N PRO A 20 22.129 23.901 39.453 1.00 36.91 N +ATOM 88 CA PRO A 20 22.613 25.243 39.215 1.00 36.60 C +ATOM 89 C PRO A 20 21.990 26.276 40.150 1.00 36.65 C +ATOM 90 O PRO A 20 20.820 26.163 40.529 1.00 36.11 O +ATOM 91 CB PRO A 20 22.188 25.508 37.771 1.00 36.88 C +ATOM 92 CG PRO A 20 20.928 24.734 37.600 1.00 36.72 C +ATOM 93 CD PRO A 20 20.970 23.573 38.594 1.00 36.94 C +ATOM 94 N TYR A 21 22.796 27.256 40.536 1.00 36.43 N +ATOM 95 CA TYR A 21 22.325 28.392 41.305 1.00 36.64 C +ATOM 96 C TYR A 21 22.564 29.602 40.418 1.00 36.16 C +ATOM 97 O TYR A 21 22.623 29.437 39.205 1.00 36.00 O +ATOM 98 CB TYR A 21 23.014 28.440 42.665 1.00 37.53 C +ATOM 99 CG TYR A 21 22.694 27.181 43.438 1.00 38.16 C +ATOM 100 CD1 TYR A 21 21.504 27.070 44.151 1.00 38.92 C +ATOM 101 CD2 TYR A 21 23.550 26.080 43.402 1.00 38.82 C +ATOM 102 CE1 TYR A 21 21.185 25.904 44.840 1.00 39.78 C +ATOM 103 CE2 TYR A 21 23.241 24.907 44.085 1.00 39.85 C +ATOM 104 CZ TYR A 21 22.056 24.831 44.806 1.00 40.00 C +ATOM 105 OH TYR A 21 21.737 23.683 45.499 1.00 40.86 O +ATOM 106 N SER A 22 22.679 30.803 40.971 1.00 35.94 N +ATOM 107 CA SER A 22 22.831 31.976 40.109 1.00 35.83 C +ATOM 108 C SER A 22 24.261 32.195 39.582 1.00 35.65 C +ATOM 109 O SER A 22 24.438 32.565 38.424 1.00 35.44 O +ATOM 110 CB SER A 22 22.244 33.240 40.753 1.00 35.89 C +ATOM 111 OG SER A 22 22.839 33.529 42.004 1.00 37.44 O +ATOM 112 N SER A 23 25.270 31.961 40.414 1.00 35.25 N +ATOM 113 CA SER A 23 26.659 32.158 39.990 1.00 35.24 C +ATOM 114 C SER A 23 27.508 30.907 40.208 1.00 35.12 C +ATOM 115 O SER A 23 28.729 30.914 39.996 1.00 34.62 O +ATOM 116 CB SER A 23 27.282 33.370 40.704 1.00 35.29 C +ATOM 117 OG SER A 23 27.523 33.096 42.076 1.00 35.88 O +ATOM 118 N THR A 24 26.852 29.834 40.636 1.00 35.13 N +ATOM 119 CA THR A 24 27.533 28.587 40.932 1.00 35.53 C +ATOM 120 C THR A 24 26.703 27.412 40.439 1.00 35.65 C +ATOM 121 O THR A 24 25.500 27.551 40.180 1.00 35.53 O +ATOM 122 CB THR A 24 27.789 28.391 42.454 1.00 35.50 C +ATOM 123 OG1 THR A 24 26.540 28.257 43.140 1.00 36.78 O +ATOM 124 CG2 THR A 24 28.596 29.536 43.065 1.00 36.85 C +ATOM 125 N ALA A 25 27.361 26.263 40.295 1.00 35.78 N +ATOM 126 CA ALA A 25 26.695 25.029 39.914 1.00 36.40 C +ATOM 127 C ALA A 25 27.369 23.846 40.590 1.00 36.64 C +ATOM 128 O ALA A 25 28.599 23.723 40.590 1.00 36.88 O +ATOM 129 CB ALA A 25 26.709 24.848 38.413 1.00 36.07 C +ATOM 130 N GLN A 26 26.555 22.986 41.176 1.00 36.89 N +ATOM 131 CA GLN A 26 27.067 21.778 41.799 1.00 37.45 C +ATOM 132 C GLN A 26 26.907 20.673 40.785 1.00 37.36 C +ATOM 133 O GLN A 26 25.793 20.402 40.327 1.00 38.30 O +ATOM 134 CB GLN A 26 26.314 21.472 43.085 1.00 37.48 C +ATOM 135 CG GLN A 26 26.627 22.447 44.222 1.00 40.83 C +ATOM 136 CD GLN A 26 25.949 22.030 45.500 1.00 44.53 C +ATOM 137 OE1 GLN A 26 24.748 21.743 45.514 1.00 46.35 O +ATOM 138 NE2 GLN A 26 26.715 21.968 46.585 1.00 46.73 N +ATOM 139 N VAL A 27 28.024 20.060 40.409 1.00 37.05 N +ATOM 140 CA VAL A 27 28.023 19.035 39.373 1.00 36.82 C +ATOM 141 C VAL A 27 28.316 17.684 40.002 1.00 36.58 C +ATOM 142 O VAL A 27 29.414 17.471 40.531 1.00 36.53 O +ATOM 143 CB VAL A 27 29.085 19.323 38.282 1.00 36.67 C +ATOM 144 CG1 VAL A 27 29.096 18.202 37.240 1.00 37.87 C +ATOM 145 CG2 VAL A 27 28.821 20.688 37.616 1.00 37.46 C +ATOM 146 N GLN A 28 27.328 16.792 39.956 1.00 36.25 N +ATOM 147 CA GLN A 28 27.484 15.442 40.477 1.00 35.71 C +ATOM 148 C GLN A 28 27.717 14.443 39.376 1.00 35.86 C +ATOM 149 O GLN A 28 27.052 14.462 38.337 1.00 35.00 O +ATOM 150 CB GLN A 28 26.304 15.009 41.334 1.00 36.11 C +ATOM 151 CG GLN A 28 26.432 15.449 42.785 1.00 35.89 C +ATOM 152 CD GLN A 28 25.300 14.928 43.634 1.00 35.67 C +ATOM 153 OE1 GLN A 28 25.524 14.245 44.644 1.00 36.88 O +ATOM 154 NE2 GLN A 28 24.072 15.201 43.209 1.00 33.43 N +ATOM 155 N PHE A 29 28.648 13.539 39.642 1.00 35.79 N +ATOM 156 CA PHE A 29 29.074 12.575 38.660 1.00 36.16 C +ATOM 157 C PHE A 29 29.338 11.242 39.332 1.00 36.76 C +ATOM 158 O PHE A 29 29.426 11.143 40.566 1.00 36.19 O +ATOM 159 CB PHE A 29 30.378 13.069 38.007 1.00 36.43 C +ATOM 160 CG PHE A 29 31.517 13.227 38.989 1.00 36.42 C +ATOM 161 CD1 PHE A 29 32.371 12.162 39.266 1.00 36.61 C +ATOM 162 CD2 PHE A 29 31.718 14.434 39.650 1.00 37.11 C +ATOM 163 CE1 PHE A 29 33.412 12.311 40.190 1.00 36.72 C +ATOM 164 CE2 PHE A 29 32.755 14.585 40.574 1.00 38.28 C +ATOM 165 CZ PHE A 29 33.600 13.524 40.839 1.00 37.00 C +ATOM 166 N ASP A 30 29.452 10.210 38.513 1.00 37.32 N +ATOM 167 CA ASP A 30 29.874 8.929 39.014 1.00 38.30 C +ATOM 168 C ASP A 30 31.185 8.609 38.333 1.00 39.32 C +ATOM 169 O ASP A 30 31.449 9.058 37.215 1.00 38.30 O +ATOM 170 CB ASP A 30 28.815 7.836 38.788 1.00 37.41 C +ATOM 171 CG ASP A 30 28.599 7.497 37.323 1.00 38.19 C +ATOM 172 OD1 ASP A 30 27.628 8.014 36.742 1.00 37.82 O +ATOM 173 OD2 ASP A 30 29.380 6.700 36.758 1.00 37.17 O +ATOM 174 N GLU A 31 31.997 7.825 39.025 1.00 40.95 N +ATOM 175 CA GLU A 31 33.289 7.392 38.533 1.00 42.82 C +ATOM 176 C GLU A 31 33.548 6.020 39.151 1.00 43.63 C +ATOM 177 O GLU A 31 33.265 5.834 40.335 1.00 43.81 O +ATOM 178 CB GLU A 31 34.348 8.401 38.981 1.00 42.82 C +ATOM 179 CG GLU A 31 35.784 8.058 38.632 1.00 44.59 C +ATOM 180 CD GLU A 31 36.094 8.172 37.157 1.00 47.12 C +ATOM 181 OE1 GLU A 31 35.257 8.708 36.407 1.00 48.93 O +ATOM 182 OE2 GLU A 31 37.181 7.718 36.741 1.00 48.29 O +ATOM 183 N PRO A 32 34.075 5.054 38.368 1.00 44.75 N +ATOM 184 CA PRO A 32 34.317 3.728 38.953 1.00 45.73 C +ATOM 185 C PRO A 32 35.216 3.756 40.191 1.00 46.79 C +ATOM 186 O PRO A 32 36.102 4.617 40.308 1.00 46.32 O +ATOM 187 CB PRO A 32 34.996 2.967 37.813 1.00 45.70 C +ATOM 188 CG PRO A 32 34.468 3.621 36.585 1.00 45.77 C +ATOM 189 CD PRO A 32 34.454 5.079 36.944 1.00 44.60 C +ATOM 190 N GLU A 33 34.959 2.833 41.117 1.00 47.89 N +ATOM 191 CA GLU A 33 35.745 2.725 42.347 1.00 49.30 C +ATOM 192 C GLU A 33 37.173 2.302 42.011 1.00 50.03 C +ATOM 193 O GLU A 33 37.385 1.445 41.146 1.00 50.28 O +ATOM 194 CB GLU A 33 35.110 1.732 43.338 1.00 49.25 C +ATOM 195 CG GLU A 33 33.661 2.059 43.769 1.00 50.05 C +ATOM 196 CD GLU A 33 33.510 3.390 44.512 1.00 51.34 C +ATOM 197 OE1 GLU A 33 34.522 3.913 45.031 1.00 52.78 O +ATOM 198 OE2 GLU A 33 32.373 3.916 44.581 1.00 49.47 O +ATOM 199 N ALA A 34 38.140 2.921 42.687 1.00 51.00 N +ATOM 200 CA ALA A 34 39.563 2.641 42.478 1.00 51.88 C +ATOM 201 C ALA A 34 39.878 1.167 42.721 1.00 52.38 C +ATOM 202 O ALA A 34 39.373 0.562 43.672 1.00 52.63 O +ATOM 203 CB ALA A 34 40.420 3.529 43.376 1.00 51.88 C +ATOM 204 N THR A 35 40.694 0.595 41.839 1.00 52.83 N +ATOM 205 CA THR A 35 41.070 -0.817 41.918 1.00 53.25 C +ATOM 206 C THR A 35 42.565 -1.005 41.676 1.00 53.39 C +ATOM 207 O THR A 35 43.225 -0.132 41.111 1.00 53.49 O +ATOM 208 CB THR A 35 40.276 -1.681 40.906 1.00 53.40 C +ATOM 209 OG1 THR A 35 40.233 -1.014 39.636 1.00 53.85 O +ATOM 210 CG2 THR A 35 38.846 -1.927 41.395 1.00 53.42 C +ATOM 211 N VAL A 38 45.783 2.016 42.722 1.00 44.31 N +ATOM 212 CA VAL A 38 45.830 3.215 41.886 1.00 44.02 C +ATOM 213 C VAL A 38 44.574 4.099 42.064 1.00 43.75 C +ATOM 214 O VAL A 38 43.637 4.056 41.256 1.00 43.88 O +ATOM 215 CB VAL A 38 46.147 2.874 40.388 1.00 44.29 C +ATOM 216 CG1 VAL A 38 45.096 1.937 39.780 1.00 44.84 C +ATOM 217 CG2 VAL A 38 46.319 4.141 39.552 1.00 43.85 C +ATOM 218 N PRO A 39 44.561 4.918 43.131 1.00 43.12 N +ATOM 219 CA PRO A 39 43.393 5.754 43.377 1.00 42.31 C +ATOM 220 C PRO A 39 43.326 6.959 42.443 1.00 41.27 C +ATOM 221 O PRO A 39 44.340 7.371 41.877 1.00 41.03 O +ATOM 222 CB PRO A 39 43.604 6.219 44.820 1.00 42.47 C +ATOM 223 CG PRO A 39 45.092 6.278 44.970 1.00 42.80 C +ATOM 224 CD PRO A 39 45.612 5.122 44.149 1.00 43.31 C +ATOM 225 N ILE A 40 42.128 7.500 42.268 1.00 40.05 N +ATOM 226 CA ILE A 40 41.974 8.754 41.535 1.00 38.99 C +ATOM 227 C ILE A 40 42.523 9.846 42.444 1.00 37.92 C +ATOM 228 O ILE A 40 42.215 9.876 43.634 1.00 37.76 O +ATOM 229 CB ILE A 40 40.504 9.007 41.161 1.00 39.25 C +ATOM 230 CG1 ILE A 40 40.046 7.915 40.190 1.00 39.61 C +ATOM 231 CG2 ILE A 40 40.317 10.402 40.555 1.00 38.12 C +ATOM 232 CD1 ILE A 40 38.619 8.005 39.807 1.00 42.09 C +ATOM 233 N LEU A 41 43.358 10.719 41.891 1.00 37.00 N +ATOM 234 CA LEU A 41 43.999 11.759 42.690 1.00 36.05 C +ATOM 235 C LEU A 41 43.244 13.078 42.646 1.00 35.42 C +ATOM 236 O LEU A 41 43.035 13.712 43.676 1.00 34.87 O +ATOM 237 CB LEU A 41 45.453 11.961 42.245 1.00 36.64 C +ATOM 238 CG LEU A 41 46.350 10.715 42.302 1.00 36.79 C +ATOM 239 CD1 LEU A 41 47.743 11.076 41.815 1.00 37.26 C +ATOM 240 CD2 LEU A 41 46.411 10.115 43.701 1.00 37.73 C +ATOM 241 N LYS A 42 42.826 13.475 41.448 1.00 34.92 N +ATOM 242 CA LYS A 42 42.151 14.741 41.243 1.00 34.82 C +ATOM 243 C LYS A 42 41.111 14.631 40.138 1.00 35.01 C +ATOM 244 O LYS A 42 41.093 13.655 39.389 1.00 34.51 O +ATOM 245 CB LYS A 42 43.168 15.809 40.810 1.00 34.41 C +ATOM 246 CG LYS A 42 44.398 15.972 41.703 1.00 34.94 C +ATOM 247 CD LYS A 42 44.054 16.601 43.038 1.00 33.86 C +ATOM 248 CE LYS A 42 45.290 16.682 43.921 1.00 34.46 C +ATOM 249 NZ LYS A 42 44.982 17.362 45.207 1.00 34.44 N +ATOM 250 N TYR A 43 40.263 15.653 40.042 1.00 35.13 N +ATOM 251 CA TYR A 43 39.335 15.802 38.924 1.00 35.64 C +ATOM 252 C TYR A 43 39.572 17.169 38.322 1.00 35.35 C +ATOM 253 O TYR A 43 39.952 18.107 39.025 1.00 35.25 O +ATOM 254 CB TYR A 43 37.869 15.705 39.363 1.00 35.68 C +ATOM 255 CG TYR A 43 37.489 14.343 39.866 1.00 36.42 C +ATOM 256 CD1 TYR A 43 37.110 13.337 38.976 1.00 36.00 C +ATOM 257 CD2 TYR A 43 37.511 14.055 41.224 1.00 36.58 C +ATOM 258 CE1 TYR A 43 36.766 12.072 39.434 1.00 37.25 C +ATOM 259 CE2 TYR A 43 37.172 12.795 41.692 1.00 37.34 C +ATOM 260 CZ TYR A 43 36.801 11.814 40.789 1.00 37.40 C +ATOM 261 OH TYR A 43 36.462 10.572 41.239 1.00 37.96 O +ATOM 262 N LYS A 44 39.366 17.264 37.017 1.00 35.53 N +ATOM 263 CA LYS A 44 39.448 18.534 36.322 1.00 35.84 C +ATOM 264 C LYS A 44 38.113 18.752 35.634 1.00 36.33 C +ATOM 265 O LYS A 44 37.663 17.915 34.838 1.00 36.91 O +ATOM 266 CB LYS A 44 40.595 18.548 35.315 1.00 36.23 C +ATOM 267 CG LYS A 44 40.812 19.929 34.667 1.00 35.57 C +ATOM 268 CD LYS A 44 42.002 19.930 33.735 1.00 37.37 C +ATOM 269 CE LYS A 44 42.280 21.334 33.238 1.00 38.27 C +ATOM 270 NZ LYS A 44 43.462 21.433 32.315 1.00 40.54 N +ATOM 271 N ALA A 45 37.463 19.851 35.991 1.00 36.02 N +ATOM 272 CA ALA A 45 36.214 20.252 35.373 1.00 35.76 C +ATOM 273 C ALA A 45 36.492 21.329 34.336 1.00 35.76 C +ATOM 274 O ALA A 45 37.399 22.152 34.505 1.00 34.70 O +ATOM 275 CB ALA A 45 35.261 20.782 36.413 1.00 36.36 C +ATOM 276 N GLU A 46 35.721 21.309 33.255 1.00 35.62 N +ATOM 277 CA GLU A 46 35.784 22.357 32.237 1.00 36.41 C +ATOM 278 C GLU A 46 34.361 22.790 31.942 1.00 35.52 C +ATOM 279 O GLU A 46 33.455 21.967 31.929 1.00 34.98 O +ATOM 280 CB GLU A 46 36.458 21.855 30.959 1.00 36.31 C +ATOM 281 CG GLU A 46 37.938 21.533 31.129 1.00 39.13 C +ATOM 282 CD GLU A 46 38.584 21.016 29.854 1.00 39.61 C +ATOM 283 OE1 GLU A 46 39.691 21.477 29.520 1.00 44.80 O +ATOM 284 OE2 GLU A 46 37.990 20.148 29.181 1.00 44.95 O +ATOM 285 N TRP A 47 34.158 24.083 31.724 1.00 34.76 N +ATOM 286 CA TRP A 47 32.826 24.591 31.422 1.00 34.30 C +ATOM 287 C TRP A 47 32.946 25.760 30.451 1.00 34.01 C +ATOM 288 O TRP A 47 34.000 26.390 30.342 1.00 33.68 O +ATOM 289 CB TRP A 47 32.065 24.987 32.699 1.00 34.42 C +ATOM 290 CG TRP A 47 32.741 26.087 33.471 1.00 34.16 C +ATOM 291 CD1 TRP A 47 32.459 27.427 33.423 1.00 35.02 C +ATOM 292 CD2 TRP A 47 33.841 25.938 34.374 1.00 34.62 C +ATOM 293 NE1 TRP A 47 33.314 28.117 34.254 1.00 34.83 N +ATOM 294 CE2 TRP A 47 34.169 27.225 34.849 1.00 35.80 C +ATOM 295 CE3 TRP A 47 34.582 24.834 34.832 1.00 35.44 C +ATOM 296 CZ2 TRP A 47 35.209 27.444 35.762 1.00 35.47 C +ATOM 297 CZ3 TRP A 47 35.610 25.053 35.743 1.00 35.65 C +ATOM 298 CH2 TRP A 47 35.913 26.349 36.195 1.00 34.47 C +ATOM 299 N ARG A 48 31.867 26.025 29.735 1.00 33.62 N +ATOM 300 CA ARG A 48 31.867 27.069 28.738 1.00 33.73 C +ATOM 301 C ARG A 48 30.452 27.521 28.455 1.00 33.79 C +ATOM 302 O ARG A 48 29.558 26.696 28.217 1.00 33.52 O +ATOM 303 CB ARG A 48 32.521 26.551 27.461 1.00 33.56 C +ATOM 304 CG ARG A 48 32.637 27.571 26.370 1.00 33.31 C +ATOM 305 CD ARG A 48 33.289 26.948 25.158 1.00 34.14 C +ATOM 306 NE ARG A 48 32.431 25.936 24.538 1.00 33.41 N +ATOM 307 CZ ARG A 48 32.751 25.260 23.438 1.00 34.09 C +ATOM 308 NH1 ARG A 48 33.915 25.479 22.834 1.00 32.57 N +ATOM 309 NH2 ARG A 48 31.903 24.370 22.940 1.00 34.54 N +ATOM 310 N ALA A 49 30.263 28.835 28.481 1.00 34.17 N +ATOM 311 CA ALA A 49 28.970 29.444 28.225 1.00 34.83 C +ATOM 312 C ALA A 49 28.594 29.386 26.757 1.00 35.53 C +ATOM 313 O ALA A 49 29.461 29.358 25.868 1.00 35.64 O +ATOM 314 CB ALA A 49 28.962 30.897 28.695 1.00 34.93 C +ATOM 315 N VAL A 50 27.288 29.365 26.524 1.00 36.08 N +ATOM 316 CA VAL A 50 26.725 29.575 25.206 1.00 36.99 C +ATOM 317 C VAL A 50 27.335 30.867 24.653 1.00 37.66 C +ATOM 318 O VAL A 50 27.342 31.902 25.330 1.00 37.84 O +ATOM 319 CB VAL A 50 25.182 29.691 25.307 1.00 36.77 C +ATOM 320 CG1 VAL A 50 24.601 30.558 24.207 1.00 37.55 C +ATOM 321 CG2 VAL A 50 24.545 28.312 25.325 1.00 36.26 C +ATOM 322 N GLY A 51 27.879 30.784 23.443 1.00 38.47 N +ATOM 323 CA GLY A 51 28.491 31.936 22.789 1.00 39.14 C +ATOM 324 C GLY A 51 30.001 32.028 22.933 1.00 39.61 C +ATOM 325 O GLY A 51 30.628 32.875 22.301 1.00 39.67 O +ATOM 326 N GLU A 52 30.589 31.168 23.762 1.00 39.82 N +ATOM 327 CA GLU A 52 32.041 31.183 23.972 1.00 40.34 C +ATOM 328 C GLU A 52 32.738 30.043 23.220 1.00 39.87 C +ATOM 329 O GLU A 52 32.099 29.060 22.837 1.00 39.91 O +ATOM 330 CB GLU A 52 32.386 31.128 25.469 1.00 40.70 C +ATOM 331 CG GLU A 52 31.847 32.296 26.313 1.00 42.93 C +ATOM 332 CD GLU A 52 32.525 33.633 26.029 1.00 47.38 C +ATOM 333 OE1 GLU A 52 33.728 33.653 25.675 1.00 48.40 O +ATOM 334 OE2 GLU A 52 31.846 34.676 26.174 1.00 49.15 O +ATOM 335 N GLU A 53 34.042 30.198 22.997 1.00 39.42 N +ATOM 336 CA GLU A 53 34.857 29.175 22.341 1.00 39.22 C +ATOM 337 C GLU A 53 35.816 28.513 23.325 1.00 39.01 C +ATOM 338 O GLU A 53 36.067 27.310 23.245 1.00 39.08 O +ATOM 339 CB GLU A 53 35.653 29.758 21.165 1.00 39.76 C +ATOM 340 CG GLU A 53 34.816 30.232 19.969 1.00 40.43 C +ATOM 341 CD GLU A 53 34.030 29.115 19.284 1.00 41.74 C +ATOM 342 OE1 GLU A 53 33.069 29.436 18.551 1.00 43.34 O +ATOM 343 OE2 GLU A 53 34.363 27.923 19.464 1.00 42.45 O +ATOM 344 N VAL A 54 36.332 29.300 24.263 1.00 38.59 N +ATOM 345 CA VAL A 54 37.302 28.812 25.234 1.00 38.54 C +ATOM 346 C VAL A 54 36.616 28.202 26.461 1.00 37.93 C +ATOM 347 O VAL A 54 35.639 28.746 26.988 1.00 38.09 O +ATOM 348 CB VAL A 54 38.299 29.928 25.651 1.00 38.24 C +ATOM 349 CG1 VAL A 54 39.334 29.406 26.656 1.00 39.02 C +ATOM 350 CG2 VAL A 54 39.008 30.501 24.425 1.00 39.47 C +ATOM 351 N TRP A 55 37.126 27.055 26.891 1.00 37.62 N +ATOM 352 CA TRP A 55 36.646 26.396 28.092 1.00 36.85 C +ATOM 353 C TRP A 55 37.406 26.910 29.309 1.00 36.71 C +ATOM 354 O TRP A 55 38.634 27.025 29.278 1.00 36.57 O +ATOM 355 CB TRP A 55 36.860 24.882 27.993 1.00 37.05 C +ATOM 356 CG TRP A 55 36.048 24.227 26.942 1.00 36.36 C +ATOM 357 CD1 TRP A 55 36.308 24.199 25.604 1.00 37.05 C +ATOM 358 CD2 TRP A 55 34.846 23.482 27.135 1.00 36.68 C +ATOM 359 NE1 TRP A 55 35.331 23.495 24.949 1.00 36.65 N +ATOM 360 CE2 TRP A 55 34.421 23.041 25.864 1.00 36.41 C +ATOM 361 CE3 TRP A 55 34.078 23.150 28.260 1.00 35.82 C +ATOM 362 CZ2 TRP A 55 33.266 22.276 25.681 1.00 37.16 C +ATOM 363 CZ3 TRP A 55 32.926 22.389 28.079 1.00 37.08 C +ATOM 364 CH2 TRP A 55 32.533 21.962 26.795 1.00 36.45 C +ATOM 365 N HIS A 56 36.678 27.215 30.376 1.00 36.32 N +ATOM 366 CA HIS A 56 37.309 27.520 31.649 1.00 36.30 C +ATOM 367 C HIS A 56 37.555 26.160 32.306 1.00 35.99 C +ATOM 368 O HIS A 56 36.932 25.170 31.929 1.00 35.51 O +ATOM 369 CB HIS A 56 36.402 28.378 32.530 1.00 36.72 C +ATOM 370 CG HIS A 56 36.115 29.740 31.975 1.00 38.98 C +ATOM 371 ND1 HIS A 56 37.089 30.700 31.821 1.00 42.15 N +ATOM 372 CD2 HIS A 56 34.956 30.311 31.570 1.00 41.46 C +ATOM 373 CE1 HIS A 56 36.551 31.799 31.319 1.00 44.04 C +ATOM 374 NE2 HIS A 56 35.255 31.591 31.164 1.00 44.17 N +ATOM 375 N SER A 57 38.461 26.097 33.274 1.00 35.13 N +ATOM 376 CA SER A 57 38.722 24.832 33.955 1.00 34.94 C +ATOM 377 C SER A 57 39.095 25.077 35.400 1.00 34.61 C +ATOM 378 O SER A 57 39.525 26.164 35.760 1.00 33.85 O +ATOM 379 CB SER A 57 39.866 24.085 33.282 1.00 34.78 C +ATOM 380 OG SER A 57 41.058 24.825 33.425 1.00 35.60 O +ATOM 381 N LYS A 58 38.936 24.051 36.219 1.00 34.32 N +ATOM 382 CA LYS A 58 39.333 24.130 37.613 1.00 34.20 C +ATOM 383 C LYS A 58 39.646 22.716 38.079 1.00 33.94 C +ATOM 384 O LYS A 58 39.033 21.744 37.614 1.00 34.12 O +ATOM 385 CB LYS A 58 38.227 24.757 38.469 1.00 34.16 C +ATOM 386 CG LYS A 58 38.598 24.913 39.934 1.00 34.57 C +ATOM 387 CD LYS A 58 37.578 25.734 40.688 1.00 36.10 C +ATOM 388 CE LYS A 58 38.003 25.899 42.126 1.00 36.97 C +ATOM 389 NZ LYS A 58 37.150 26.887 42.843 1.00 38.34 N +ATOM 390 N TRP A 59 40.630 22.607 38.965 1.00 33.73 N +ATOM 391 CA TRP A 59 41.005 21.318 39.532 1.00 33.62 C +ATOM 392 C TRP A 59 40.357 21.120 40.894 1.00 33.15 C +ATOM 393 O TRP A 59 40.121 22.086 41.638 1.00 32.34 O +ATOM 394 CB TRP A 59 42.523 21.233 39.666 1.00 33.89 C +ATOM 395 CG TRP A 59 43.233 21.046 38.371 1.00 34.34 C +ATOM 396 CD1 TRP A 59 43.661 22.025 37.514 1.00 35.18 C +ATOM 397 CD2 TRP A 59 43.620 19.800 37.786 1.00 34.45 C +ATOM 398 NE1 TRP A 59 44.294 21.460 36.429 1.00 34.68 N +ATOM 399 CE2 TRP A 59 44.281 20.096 36.571 1.00 35.35 C +ATOM 400 CE3 TRP A 59 43.467 18.452 38.171 1.00 34.80 C +ATOM 401 CZ2 TRP A 59 44.795 19.097 35.734 1.00 34.47 C +ATOM 402 CZ3 TRP A 59 43.981 17.465 37.340 1.00 34.86 C +ATOM 403 CH2 TRP A 59 44.640 17.795 36.137 1.00 34.77 C +ATOM 404 N TYR A 60 40.125 19.855 41.232 1.00 32.75 N +ATOM 405 CA TYR A 60 39.457 19.476 42.462 1.00 33.22 C +ATOM 406 C TYR A 60 40.120 18.242 43.035 1.00 33.74 C +ATOM 407 O TYR A 60 40.450 17.315 42.300 1.00 32.95 O +ATOM 408 CB TYR A 60 37.983 19.130 42.180 1.00 33.36 C +ATOM 409 CG TYR A 60 37.197 20.276 41.599 1.00 33.67 C +ATOM 410 CD1 TYR A 60 36.514 21.167 42.434 1.00 34.10 C +ATOM 411 CD2 TYR A 60 37.162 20.493 40.221 1.00 34.97 C +ATOM 412 CE1 TYR A 60 35.804 22.226 41.906 1.00 35.80 C +ATOM 413 CE2 TYR A 60 36.467 21.561 39.683 1.00 34.45 C +ATOM 414 CZ TYR A 60 35.785 22.423 40.530 1.00 33.88 C +ATOM 415 OH TYR A 60 35.076 23.476 40.001 1.00 34.59 O +ATOM 416 N ASP A 61 40.308 18.242 44.349 1.00 33.97 N +ATOM 417 CA ASP A 61 40.881 17.110 45.026 1.00 35.18 C +ATOM 418 C ASP A 61 39.884 15.955 44.979 1.00 35.25 C +ATOM 419 O ASP A 61 38.689 16.159 45.218 1.00 35.47 O +ATOM 420 CB ASP A 61 41.203 17.450 46.472 1.00 35.03 C +ATOM 421 CG ASP A 61 41.842 16.293 47.190 1.00 36.68 C +ATOM 422 OD1 ASP A 61 42.975 15.911 46.809 1.00 38.35 O +ATOM 423 OD2 ASP A 61 41.203 15.762 48.122 1.00 36.33 O +ATOM 424 N ALA A 62 40.369 14.758 44.656 1.00 35.80 N +ATOM 425 CA ALA A 62 39.479 13.592 44.542 1.00 36.41 C +ATOM 426 C ALA A 62 38.884 13.181 45.883 1.00 37.05 C +ATOM 427 O ALA A 62 37.707 12.845 45.957 1.00 37.06 O +ATOM 428 CB ALA A 62 40.186 12.403 43.895 1.00 36.45 C +ATOM 429 N LYS A 63 39.689 13.206 46.939 1.00 37.53 N +ATOM 430 CA LYS A 63 39.204 12.778 48.255 1.00 38.17 C +ATOM 431 C LYS A 63 38.005 13.639 48.657 1.00 37.98 C +ATOM 432 O LYS A 63 36.959 13.128 49.044 1.00 37.75 O +ATOM 433 CB LYS A 63 40.317 12.866 49.307 1.00 38.57 C +ATOM 434 CG LYS A 63 40.039 12.078 50.563 1.00 41.55 C +ATOM 435 CD LYS A 63 41.026 12.421 51.665 1.00 45.07 C +ATOM 436 CE LYS A 63 41.168 11.268 52.647 1.00 47.37 C +ATOM 437 NZ LYS A 63 39.858 10.711 53.090 1.00 49.87 N +ATOM 438 N GLU A 64 38.150 14.952 48.524 1.00 38.14 N +ATOM 439 CA GLU A 64 37.063 15.868 48.843 1.00 38.46 C +ATOM 440 C GLU A 64 35.838 15.679 47.950 1.00 37.72 C +ATOM 441 O GLU A 64 34.701 15.736 48.426 1.00 38.18 O +ATOM 442 CB GLU A 64 37.548 17.312 48.770 1.00 39.37 C +ATOM 443 CG GLU A 64 36.411 18.318 48.779 1.00 42.76 C +ATOM 444 CD GLU A 64 36.808 19.638 49.374 1.00 46.15 C +ATOM 445 OE1 GLU A 64 37.525 19.636 50.397 1.00 50.82 O +ATOM 446 OE2 GLU A 64 36.370 20.668 48.840 1.00 45.99 O +ATOM 447 N ALA A 65 36.067 15.470 46.657 1.00 36.59 N +ATOM 448 CA ALA A 65 34.974 15.277 45.716 1.00 36.35 C +ATOM 449 C ALA A 65 34.268 13.941 45.925 1.00 36.09 C +ATOM 450 O ALA A 65 33.108 13.807 45.563 1.00 35.40 O +ATOM 451 CB ALA A 65 35.481 15.354 44.279 1.00 35.79 C +ATOM 452 N SER A 66 34.963 12.977 46.528 1.00 36.01 N +ATOM 453 CA SER A 66 34.474 11.597 46.597 1.00 36.42 C +ATOM 454 C SER A 66 33.279 11.372 47.527 1.00 36.38 C +ATOM 455 O SER A 66 32.516 10.429 47.321 1.00 35.52 O +ATOM 456 CB SER A 66 35.610 10.623 46.935 1.00 36.34 C +ATOM 457 OG SER A 66 35.980 10.710 48.307 1.00 38.23 O +ATOM 466 N GLU A 68 30.523 13.025 47.849 1.00 34.91 N +ATOM 467 CA GLU A 68 29.277 13.179 47.126 1.00 34.57 C +ATOM 468 C GLU A 68 29.428 13.066 45.613 1.00 34.46 C +ATOM 469 O GLU A 68 28.448 13.230 44.885 1.00 34.46 O +ATOM 470 CB GLU A 68 28.605 14.488 47.516 1.00 33.96 C +ATOM 471 CG GLU A 68 28.138 14.495 48.962 1.00 35.10 C +ATOM 472 CD GLU A 68 27.269 15.675 49.255 1.00 37.29 C +ATOM 473 OE1 GLU A 68 27.805 16.797 49.321 1.00 39.84 O +ATOM 474 OE2 GLU A 68 26.049 15.484 49.400 1.00 36.82 O +ATOM 475 N GLY A 69 30.641 12.748 45.159 1.00 34.09 N +ATOM 476 CA GLY A 69 30.947 12.667 43.733 1.00 34.84 C +ATOM 477 C GLY A 69 30.587 14.017 43.149 1.00 35.41 C +ATOM 478 O GLY A 69 29.807 14.113 42.204 1.00 35.36 O +ATOM 479 N ILE A 70 31.154 15.068 43.725 1.00 35.72 N +ATOM 480 CA ILE A 70 30.698 16.406 43.409 1.00 36.76 C +ATOM 481 C ILE A 70 31.835 17.396 43.229 1.00 36.44 C +ATOM 482 O ILE A 70 32.844 17.334 43.935 1.00 35.65 O +ATOM 483 CB ILE A 70 29.729 16.896 44.527 1.00 36.59 C +ATOM 484 CG1 ILE A 70 28.846 18.061 44.082 1.00 38.59 C +ATOM 485 CG2 ILE A 70 30.479 17.253 45.828 1.00 37.93 C +ATOM 486 CD1 ILE A 70 27.591 18.183 44.988 1.00 38.51 C +ATOM 487 N VAL A 71 31.667 18.284 42.253 1.00 36.58 N +ATOM 488 CA VAL A 71 32.530 19.459 42.130 1.00 37.08 C +ATOM 489 C VAL A 71 31.629 20.686 41.968 1.00 37.13 C +ATOM 490 O VAL A 71 30.571 20.616 41.349 1.00 37.43 O +ATOM 491 CB VAL A 71 33.576 19.342 40.976 1.00 36.66 C +ATOM 492 CG1 VAL A 71 34.535 18.180 41.252 1.00 36.40 C +ATOM 493 CG2 VAL A 71 32.912 19.201 39.615 1.00 37.74 C +ATOM 494 N THR A 72 32.037 21.803 42.548 1.00 36.79 N +ATOM 495 CA THR A 72 31.258 23.014 42.443 1.00 36.75 C +ATOM 496 C THR A 72 32.008 23.992 41.561 1.00 36.44 C +ATOM 497 O THR A 72 33.183 24.276 41.786 1.00 36.33 O +ATOM 498 CB THR A 72 30.988 23.647 43.813 1.00 37.32 C +ATOM 499 OG1 THR A 72 30.276 22.709 44.621 1.00 38.64 O +ATOM 500 CG2 THR A 72 30.153 24.937 43.674 1.00 37.22 C +ATOM 501 N ILE A 73 31.315 24.473 40.545 1.00 35.97 N +ATOM 502 CA ILE A 73 31.853 25.478 39.647 1.00 36.09 C +ATOM 503 C ILE A 73 31.328 26.812 40.135 1.00 35.94 C +ATOM 504 O ILE A 73 30.145 26.939 40.456 1.00 35.75 O +ATOM 505 CB ILE A 73 31.412 25.235 38.203 1.00 36.24 C +ATOM 506 CG1 ILE A 73 31.904 23.865 37.727 1.00 37.10 C +ATOM 507 CG2 ILE A 73 31.919 26.376 37.304 1.00 36.55 C +ATOM 508 CD1 ILE A 73 31.237 23.389 36.474 1.00 38.04 C +ATOM 509 N VAL A 74 32.214 27.800 40.209 1.00 35.98 N +ATOM 510 CA VAL A 74 31.851 29.120 40.716 1.00 35.93 C +ATOM 511 C VAL A 74 32.207 30.208 39.703 1.00 35.86 C +ATOM 512 O VAL A 74 32.854 29.932 38.696 1.00 35.73 O +ATOM 513 CB VAL A 74 32.517 29.415 42.095 1.00 36.08 C +ATOM 514 CG1 VAL A 74 32.221 28.278 43.092 1.00 36.69 C +ATOM 515 CG2 VAL A 74 34.025 29.634 41.948 1.00 36.05 C +ATOM 516 N GLY A 75 31.751 31.426 39.965 1.00 35.68 N +ATOM 517 CA GLY A 75 32.068 32.578 39.115 1.00 36.03 C +ATOM 518 C GLY A 75 31.311 32.571 37.809 1.00 36.11 C +ATOM 519 O GLY A 75 31.783 33.115 36.804 1.00 36.03 O +ATOM 520 N LEU A 76 30.131 31.955 37.829 1.00 35.17 N +ATOM 521 CA LEU A 76 29.275 31.883 36.651 1.00 35.21 C +ATOM 522 C LEU A 76 28.353 33.093 36.540 1.00 35.16 C +ATOM 523 O LEU A 76 28.155 33.824 37.510 1.00 34.92 O +ATOM 524 CB LEU A 76 28.441 30.608 36.692 1.00 34.84 C +ATOM 525 CG LEU A 76 29.234 29.308 36.820 1.00 35.47 C +ATOM 526 CD1 LEU A 76 28.278 28.135 36.932 1.00 34.58 C +ATOM 527 CD2 LEU A 76 30.189 29.142 35.641 1.00 35.95 C +ATOM 528 N LYS A 77 27.800 33.292 35.347 1.00 35.41 N +ATOM 529 CA LYS A 77 26.867 34.381 35.084 1.00 35.75 C +ATOM 530 C LYS A 77 25.443 33.856 35.271 1.00 35.44 C +ATOM 531 O LYS A 77 25.144 32.728 34.859 1.00 34.90 O +ATOM 532 CB LYS A 77 27.050 34.914 33.660 1.00 35.87 C +ATOM 533 CG LYS A 77 28.409 35.561 33.392 1.00 36.48 C +ATOM 534 CD LYS A 77 28.512 36.060 31.959 1.00 37.38 C +ATOM 535 CE LYS A 77 29.858 36.746 31.700 1.00 39.55 C +ATOM 536 NZ LYS A 77 29.991 37.205 30.292 1.00 40.69 N +ATOM 537 N PRO A 78 24.564 34.657 35.906 1.00 35.23 N +ATOM 538 CA PRO A 78 23.174 34.218 36.088 1.00 35.29 C +ATOM 539 C PRO A 78 22.449 34.115 34.751 1.00 35.17 C +ATOM 540 O PRO A 78 22.866 34.749 33.784 1.00 34.68 O +ATOM 541 CB PRO A 78 22.551 35.334 36.945 1.00 35.32 C +ATOM 542 CG PRO A 78 23.720 36.088 37.528 1.00 36.00 C +ATOM 543 CD PRO A 78 24.799 35.990 36.491 1.00 35.70 C +ATOM 544 N GLU A 79 21.386 33.310 34.702 1.00 35.20 N +ATOM 545 CA GLU A 79 20.563 33.155 33.493 1.00 35.51 C +ATOM 546 C GLU A 79 21.393 32.816 32.249 1.00 35.10 C +ATOM 547 O GLU A 79 21.104 33.293 31.148 1.00 34.83 O +ATOM 548 CB GLU A 79 19.713 34.414 33.249 1.00 35.25 C +ATOM 549 CG GLU A 79 18.650 34.657 34.311 1.00 36.62 C +ATOM 550 CD GLU A 79 17.800 35.885 34.050 1.00 36.67 C +ATOM 551 OE1 GLU A 79 18.315 36.886 33.504 1.00 39.05 O +ATOM 552 OE2 GLU A 79 16.606 35.856 34.410 1.00 39.73 O +ATOM 553 N THR A 80 22.417 31.988 32.435 1.00 34.90 N +ATOM 554 CA THR A 80 23.343 31.638 31.358 1.00 34.63 C +ATOM 555 C THR A 80 23.452 30.127 31.199 1.00 34.48 C +ATOM 556 O THR A 80 23.525 29.388 32.193 1.00 34.33 O +ATOM 557 CB THR A 80 24.745 32.255 31.613 1.00 34.68 C +ATOM 558 OG1 THR A 80 24.629 33.681 31.699 1.00 33.92 O +ATOM 559 CG2 THR A 80 25.740 31.897 30.499 1.00 34.80 C +ATOM 560 N THR A 81 23.448 29.668 29.950 1.00 34.11 N +ATOM 561 CA THR A 81 23.604 28.243 29.670 1.00 34.17 C +ATOM 562 C THR A 81 25.077 27.889 29.485 1.00 34.09 C +ATOM 563 O THR A 81 25.799 28.574 28.763 1.00 34.20 O +ATOM 564 CB THR A 81 22.748 27.796 28.467 1.00 34.34 C +ATOM 565 OG1 THR A 81 21.369 28.056 28.754 1.00 34.50 O +ATOM 566 CG2 THR A 81 22.918 26.302 28.191 1.00 34.62 C +ATOM 567 N TYR A 82 25.507 26.836 30.180 1.00 33.85 N +ATOM 568 CA TYR A 82 26.876 26.334 30.136 1.00 33.90 C +ATOM 569 C TYR A 82 26.938 24.863 29.761 1.00 33.90 C +ATOM 570 O TYR A 82 26.062 24.084 30.128 1.00 33.47 O +ATOM 571 CB TYR A 82 27.543 26.455 31.511 1.00 33.74 C +ATOM 572 CG TYR A 82 27.793 27.864 31.958 1.00 33.77 C +ATOM 573 CD1 TYR A 82 29.007 28.490 31.689 1.00 33.02 C +ATOM 574 CD2 TYR A 82 26.813 28.579 32.643 1.00 33.58 C +ATOM 575 CE1 TYR A 82 29.236 29.800 32.087 1.00 33.82 C +ATOM 576 CE2 TYR A 82 27.034 29.884 33.053 1.00 33.65 C +ATOM 577 CZ TYR A 82 28.250 30.488 32.773 1.00 33.32 C +ATOM 578 OH TYR A 82 28.470 31.784 33.164 1.00 34.62 O +ATOM 579 N ALA A 83 27.984 24.501 29.028 1.00 33.68 N +ATOM 580 CA ALA A 83 28.334 23.112 28.829 1.00 33.80 C +ATOM 581 C ALA A 83 29.306 22.821 29.948 1.00 34.13 C +ATOM 582 O ALA A 83 30.038 23.712 30.382 1.00 33.86 O +ATOM 583 CB ALA A 83 29.027 22.919 27.481 1.00 33.74 C +ATOM 584 N VAL A 84 29.306 21.591 30.442 1.00 34.16 N +ATOM 585 CA VAL A 84 30.253 21.215 31.476 1.00 34.73 C +ATOM 586 C VAL A 84 30.721 19.787 31.229 1.00 35.12 C +ATOM 587 O VAL A 84 29.946 18.931 30.776 1.00 34.80 O +ATOM 588 CB VAL A 84 29.677 21.402 32.917 1.00 34.55 C +ATOM 589 CG1 VAL A 84 28.408 20.577 33.132 1.00 34.83 C +ATOM 590 CG2 VAL A 84 30.732 21.071 33.982 1.00 35.73 C +ATOM 591 N ARG A 85 31.999 19.551 31.490 1.00 34.99 N +ATOM 592 CA ARG A 85 32.570 18.217 31.355 1.00 35.45 C +ATOM 593 C ARG A 85 33.646 18.023 32.412 1.00 35.69 C +ATOM 594 O ARG A 85 34.136 19.000 33.007 1.00 35.23 O +ATOM 595 CB ARG A 85 33.136 18.001 29.951 1.00 35.16 C +ATOM 596 CG ARG A 85 34.158 19.038 29.531 1.00 35.70 C +ATOM 597 CD ARG A 85 34.466 18.911 28.052 1.00 37.03 C +ATOM 598 NE ARG A 85 35.593 19.747 27.657 1.00 36.79 N +ATOM 599 CZ ARG A 85 36.000 19.917 26.401 1.00 37.48 C +ATOM 600 NH1 ARG A 85 35.375 19.301 25.405 1.00 37.11 N +ATOM 601 NH2 ARG A 85 37.042 20.703 26.142 1.00 36.72 N +ATOM 602 N LEU A 86 34.007 16.764 32.634 1.00 35.75 N +ATOM 603 CA LEU A 86 34.909 16.385 33.711 1.00 37.37 C +ATOM 604 C LEU A 86 35.880 15.310 33.286 1.00 37.17 C +ATOM 605 O LEU A 86 35.541 14.449 32.491 1.00 37.22 O +ATOM 606 CB LEU A 86 34.087 15.808 34.866 1.00 37.84 C +ATOM 607 CG LEU A 86 33.595 16.563 36.085 1.00 43.05 C +ATOM 608 CD1 LEU A 86 33.224 18.018 35.838 1.00 45.17 C +ATOM 609 CD2 LEU A 86 32.419 15.788 36.621 1.00 44.48 C +ATOM 610 N ALA A 87 37.092 15.370 33.822 1.00 37.30 N +ATOM 611 CA ALA A 87 38.072 14.315 33.635 1.00 37.02 C +ATOM 612 C ALA A 87 38.671 13.960 34.993 1.00 37.32 C +ATOM 613 O ALA A 87 38.724 14.796 35.902 1.00 36.77 O +ATOM 614 CB ALA A 87 39.151 14.740 32.672 1.00 37.38 C +ATOM 615 N ALA A 88 39.114 12.715 35.117 1.00 37.02 N +ATOM 616 CA ALA A 88 39.761 12.226 36.325 1.00 37.24 C +ATOM 617 C ALA A 88 41.251 12.037 36.073 1.00 37.17 C +ATOM 618 O ALA A 88 41.665 11.699 34.963 1.00 37.56 O +ATOM 619 CB ALA A 88 39.126 10.906 36.772 1.00 36.68 C +ATOM 620 N LEU A 89 42.044 12.256 37.115 1.00 37.08 N +ATOM 621 CA LEU A 89 43.487 12.098 37.064 1.00 37.71 C +ATOM 622 C LEU A 89 43.927 11.091 38.115 1.00 37.73 C +ATOM 623 O LEU A 89 43.506 11.170 39.264 1.00 37.55 O +ATOM 624 CB LEU A 89 44.184 13.441 37.353 1.00 37.31 C +ATOM 625 CG LEU A 89 45.678 13.438 37.731 1.00 38.47 C +ATOM 626 CD1 LEU A 89 46.561 13.235 36.516 1.00 38.41 C +ATOM 627 CD2 LEU A 89 46.079 14.736 38.423 1.00 38.47 C +ATOM 628 N ASN A 90 44.773 10.149 37.715 1.00 38.18 N +ATOM 629 CA ASN A 90 45.414 9.257 38.672 1.00 38.68 C +ATOM 630 C ASN A 90 46.925 9.324 38.477 1.00 39.18 C +ATOM 631 O ASN A 90 47.420 10.226 37.792 1.00 38.97 O +ATOM 632 CB ASN A 90 44.858 7.823 38.587 1.00 38.63 C +ATOM 633 CG ASN A 90 45.096 7.164 37.237 1.00 38.83 C +ATOM 634 OD1 ASN A 90 45.830 7.678 36.390 1.00 39.39 O +ATOM 635 ND2 ASN A 90 44.468 6.012 37.033 1.00 37.83 N +ATOM 636 N GLY A 91 47.653 8.385 39.076 1.00 39.71 N +ATOM 637 CA GLY A 91 49.112 8.332 38.951 1.00 40.49 C +ATOM 638 C GLY A 91 49.614 8.155 37.527 1.00 40.92 C +ATOM 639 O GLY A 91 50.722 8.587 37.197 1.00 40.98 O +ATOM 640 N LYS A 92 48.795 7.526 36.683 1.00 41.25 N +ATOM 641 CA LYS A 92 49.146 7.277 35.283 1.00 41.45 C +ATOM 642 C LYS A 92 48.906 8.499 34.389 1.00 41.45 C +ATOM 643 O LYS A 92 49.456 8.588 33.288 1.00 41.60 O +ATOM 644 CB LYS A 92 48.395 6.055 34.751 1.00 41.60 C +ATOM 645 N GLY A 93 48.086 9.433 34.864 1.00 41.38 N +ATOM 646 CA GLY A 93 47.814 10.666 34.131 1.00 41.08 C +ATOM 647 C GLY A 93 46.350 11.052 34.067 1.00 40.93 C +ATOM 648 O GLY A 93 45.488 10.405 34.675 1.00 40.77 O +ATOM 649 N LEU A 94 46.077 12.129 33.335 1.00 40.73 N +ATOM 650 CA LEU A 94 44.718 12.615 33.148 1.00 40.51 C +ATOM 651 C LEU A 94 43.997 11.707 32.155 1.00 40.48 C +ATOM 652 O LEU A 94 44.517 11.420 31.075 1.00 40.45 O +ATOM 653 CB LEU A 94 44.732 14.065 32.651 1.00 40.49 C +ATOM 654 CG LEU A 94 43.423 14.861 32.596 1.00 40.31 C +ATOM 655 CD1 LEU A 94 42.770 14.974 33.963 1.00 38.78 C +ATOM 656 CD2 LEU A 94 43.672 16.248 32.004 1.00 40.48 C +ATOM 657 N GLY A 95 42.809 11.250 32.536 1.00 40.23 N +ATOM 658 CA GLY A 95 42.014 10.367 31.695 1.00 40.41 C +ATOM 659 C GLY A 95 41.192 11.138 30.685 1.00 40.36 C +ATOM 660 O GLY A 95 41.255 12.368 30.632 1.00 40.39 O +ATOM 661 N GLU A 96 40.418 10.410 29.885 1.00 40.29 N +ATOM 662 CA GLU A 96 39.567 11.009 28.859 1.00 40.38 C +ATOM 663 C GLU A 96 38.502 11.894 29.491 1.00 40.43 C +ATOM 664 O GLU A 96 37.960 11.569 30.552 1.00 40.37 O +ATOM 665 CB GLU A 96 38.920 9.926 27.995 1.00 40.28 C +ATOM 666 N ILE A 97 38.232 13.025 28.842 1.00 40.43 N +ATOM 667 CA ILE A 97 37.218 13.964 29.297 1.00 40.61 C +ATOM 668 C ILE A 97 35.833 13.328 29.120 1.00 40.07 C +ATOM 669 O ILE A 97 35.627 12.527 28.210 1.00 40.28 O +ATOM 670 CB ILE A 97 37.342 15.342 28.559 1.00 40.80 C +ATOM 671 CG1 ILE A 97 36.603 16.446 29.311 1.00 41.76 C +ATOM 672 CG2 ILE A 97 36.915 15.260 27.076 1.00 41.93 C +ATOM 673 CD1 ILE A 97 37.392 17.070 30.456 1.00 43.89 C +ATOM 674 N SER A 98 34.896 13.657 30.003 1.00 39.22 N +ATOM 675 CA SER A 98 33.548 13.110 29.907 1.00 38.60 C +ATOM 676 C SER A 98 32.802 13.742 28.748 1.00 38.37 C +ATOM 677 O SER A 98 33.231 14.764 28.197 1.00 37.64 O +ATOM 678 CB SER A 98 32.761 13.429 31.170 1.00 38.54 C +ATOM 679 OG SER A 98 32.465 14.815 31.213 1.00 37.36 O +ATOM 680 N ALA A 99 31.669 13.134 28.403 1.00 38.07 N +ATOM 681 CA ALA A 99 30.731 13.742 27.492 1.00 38.01 C +ATOM 682 C ALA A 99 30.265 15.004 28.208 1.00 38.07 C +ATOM 683 O ALA A 99 30.273 15.072 29.453 1.00 37.92 O +ATOM 684 CB ALA A 99 29.562 12.807 27.226 1.00 38.22 C +ATOM 685 N ALA A 100 29.896 16.015 27.436 1.00 37.73 N +ATOM 686 CA ALA A 100 29.449 17.255 28.028 1.00 37.95 C +ATOM 687 C ALA A 100 28.021 17.115 28.524 1.00 38.04 C +ATOM 688 O ALA A 100 27.201 16.393 27.940 1.00 37.36 O +ATOM 689 CB ALA A 100 29.555 18.397 27.030 1.00 38.08 C +ATOM 690 N SER A 101 27.761 17.759 29.648 1.00 38.21 N +ATOM 691 CA SER A 101 26.414 17.944 30.137 1.00 38.50 C +ATOM 692 C SER A 101 26.189 19.437 30.049 1.00 38.26 C +ATOM 693 O SER A 101 27.074 20.173 29.608 1.00 38.28 O +ATOM 694 CB SER A 101 26.270 17.431 31.562 1.00 38.49 C +ATOM 695 OG SER A 101 26.385 16.022 31.557 1.00 41.79 O +ATOM 696 N GLU A 102 25.008 19.892 30.423 1.00 38.16 N +ATOM 697 CA GLU A 102 24.728 21.317 30.367 1.00 38.56 C +ATOM 698 C GLU A 102 23.782 21.705 31.487 1.00 38.96 C +ATOM 699 O GLU A 102 23.090 20.851 32.053 1.00 38.60 O +ATOM 700 CB GLU A 102 24.131 21.701 29.016 1.00 38.51 C +ATOM 701 CG GLU A 102 22.739 21.154 28.766 1.00 37.71 C +ATOM 702 CD GLU A 102 22.162 21.648 27.464 1.00 36.76 C +ATOM 703 OE1 GLU A 102 22.639 21.206 26.393 1.00 35.06 O +ATOM 704 OE2 GLU A 102 21.219 22.468 27.511 1.00 35.67 O +ATOM 705 N PHE A 103 23.750 22.996 31.789 1.00 39.02 N +ATOM 706 CA PHE A 103 22.864 23.513 32.820 1.00 39.37 C +ATOM 707 C PHE A 103 22.672 24.986 32.542 1.00 39.46 C +ATOM 708 O PHE A 103 23.465 25.596 31.824 1.00 39.50 O +ATOM 709 CB PHE A 103 23.462 23.304 34.221 1.00 39.60 C +ATOM 710 CG PHE A 103 24.797 23.974 34.426 1.00 40.42 C +ATOM 711 CD1 PHE A 103 24.870 25.293 34.869 1.00 40.35 C +ATOM 712 CD2 PHE A 103 25.984 23.283 34.183 1.00 41.00 C +ATOM 713 CE1 PHE A 103 26.097 25.920 35.047 1.00 41.47 C +ATOM 714 CE2 PHE A 103 27.223 23.903 34.361 1.00 40.87 C +ATOM 715 CZ PHE A 103 27.282 25.222 34.800 1.00 41.98 C +ATOM 716 N LYS A 104 21.610 25.557 33.097 1.00 39.25 N +ATOM 717 CA LYS A 104 21.401 26.984 32.969 1.00 39.09 C +ATOM 718 C LYS A 104 21.342 27.544 34.381 1.00 38.80 C +ATOM 719 O LYS A 104 20.564 27.079 35.210 1.00 38.14 O +ATOM 720 CB LYS A 104 20.131 27.302 32.179 1.00 38.84 C +ATOM 721 CG LYS A 104 19.888 28.799 31.990 1.00 39.37 C +ATOM 722 CD LYS A 104 18.703 29.079 31.077 1.00 39.65 C +ATOM 723 CE LYS A 104 18.478 30.577 30.950 1.00 41.14 C +ATOM 724 NZ LYS A 104 17.489 30.912 29.889 1.00 42.71 N +ATOM 725 N THR A 105 22.185 28.534 34.651 1.00 38.22 N +ATOM 726 CA THR A 105 22.194 29.167 35.957 1.00 38.01 C +ATOM 727 C THR A 105 20.892 29.940 36.159 1.00 37.50 C +ATOM 728 O THR A 105 20.298 30.449 35.201 1.00 37.05 O +ATOM 729 CB THR A 105 23.383 30.127 36.103 1.00 37.96 C +ATOM 730 OG1 THR A 105 23.416 30.995 34.970 1.00 37.96 O +ATOM 731 CG2 THR A 105 24.709 29.349 36.193 1.00 38.30 C +ATOM 732 N GLN A 106 20.453 30.009 37.410 1.00 37.44 N +ATOM 733 CA GLN A 106 19.226 30.703 37.775 1.00 37.23 C +ATOM 734 C GLN A 106 19.432 32.222 37.762 1.00 36.90 C +ATOM 735 O GLN A 106 20.573 32.696 37.730 1.00 36.52 O +ATOM 736 CB GLN A 106 18.797 30.260 39.175 1.00 37.34 C +ATOM 737 CG GLN A 106 18.535 28.761 39.323 1.00 38.07 C +ATOM 738 CD GLN A 106 18.301 28.335 40.767 1.00 38.35 C +ATOM 739 OE1 GLN A 106 18.372 29.145 41.691 1.00 39.30 O +ATOM 740 NE2 GLN A 106 18.021 27.052 40.964 1.00 40.84 N +ATOM 741 N PRO A 107 18.329 32.998 37.762 1.00 36.71 N +ATOM 742 CA PRO A 107 18.532 34.425 37.972 1.00 36.58 C +ATOM 743 C PRO A 107 18.895 34.670 39.436 1.00 36.55 C +ATOM 744 O PRO A 107 18.668 33.798 40.283 1.00 36.23 O +ATOM 745 CB PRO A 107 17.161 35.031 37.650 1.00 36.72 C +ATOM 746 CG PRO A 107 16.187 33.932 37.865 1.00 36.88 C +ATOM 747 CD PRO A 107 16.908 32.656 37.548 1.00 36.69 C +ATOM 748 N VAL A 108 19.472 35.830 39.727 1.00 36.53 N +ATOM 749 CA VAL A 108 19.787 36.197 41.106 1.00 36.79 C +ATOM 750 C VAL A 108 18.486 36.156 41.910 1.00 36.87 C +ATOM 751 O VAL A 108 17.508 36.826 41.562 1.00 37.01 O +ATOM 752 CB VAL A 108 20.475 37.580 41.188 1.00 36.80 C +ATOM 753 CG1 VAL A 108 20.650 38.020 42.637 1.00 36.87 C +ATOM 754 CG2 VAL A 108 21.828 37.533 40.477 1.00 36.65 C +ATOM 755 N ARG A 109 18.473 35.337 42.960 1.00 36.99 N +ATOM 756 CA ARG A 109 17.265 35.125 43.763 1.00 37.10 C +ATOM 757 C ARG A 109 16.770 36.408 44.427 1.00 37.10 C +ATOM 758 O ARG A 109 17.561 37.294 44.765 1.00 36.90 O +ATOM 759 CB ARG A 109 17.476 34.007 44.799 1.00 37.08 C +ATOM 760 CG ARG A 109 18.359 34.375 45.991 1.00 37.25 C +ATOM 761 CD ARG A 109 18.804 33.144 46.775 1.00 37.28 C +ATOM 762 NE ARG A 109 17.688 32.361 47.307 1.00 37.22 N +ATOM 763 CZ ARG A 109 17.822 31.217 47.974 1.00 37.21 C +ATOM 764 NH1 ARG A 109 19.026 30.706 48.199 1.00 37.21 N +ATOM 765 NH2 ARG A 109 16.749 30.577 48.417 1.00 37.18 N +ATOM 766 N GLU A 110 15.451 36.499 44.582 1.00 37.14 N +ATOM 767 CA GLU A 110 14.816 37.638 45.232 1.00 37.22 C +ATOM 768 C GLU A 110 15.142 37.598 46.726 1.00 37.29 C +ATOM 769 O GLU A 110 14.847 36.600 47.392 1.00 37.24 O +ATOM 770 CB GLU A 110 13.303 37.593 45.003 1.00 37.18 C +ATOM 771 CG GLU A 110 12.541 38.820 45.475 1.00 37.21 C +ATOM 772 CD GLU A 110 11.043 38.716 45.220 1.00 37.16 C +ATOM 773 OE1 GLU A 110 10.286 39.515 45.810 1.00 37.29 O +ATOM 774 OE2 GLU A 110 10.622 37.837 44.434 1.00 36.63 O +ATOM 775 N PRO A 111 15.771 38.675 47.248 1.00 37.38 N +ATOM 776 CA PRO A 111 16.149 38.773 48.664 1.00 37.45 C +ATOM 777 C PRO A 111 14.983 38.495 49.616 1.00 37.49 C +ATOM 778 O PRO A 111 13.870 38.983 49.397 1.00 37.49 O +ATOM 779 CB PRO A 111 16.618 40.227 48.802 1.00 37.46 C +ATOM 780 CG PRO A 111 17.088 40.596 47.442 1.00 37.45 C +ATOM 781 CD PRO A 111 16.171 39.878 46.492 1.00 37.37 C +ATOM 782 N SER A 112 15.251 37.707 50.655 1.00 37.54 N +ATOM 783 CA SER A 112 14.240 37.336 51.643 1.00 37.52 C +ATOM 784 C SER A 112 14.167 38.349 52.782 1.00 37.53 C +ATOM 785 O SER A 112 15.165 38.968 53.154 1.00 37.53 O +ATOM 786 CB SER A 112 14.525 35.940 52.201 1.00 37.54 C +ATOM 787 OG SER A 112 14.558 34.971 51.166 1.00 37.52 O Added: SwiftApps/modFTdock/input/indata/2e3v-2.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2e3v-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2e3v-2.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,738 @@ +ATOM 1 N SER B 8 7.522 7.120 35.324 1.00 45.21 N +ATOM 2 CA SER B 8 7.759 7.501 36.751 1.00 45.05 C +ATOM 3 C SER B 8 9.174 7.155 37.216 1.00 44.85 C +ATOM 4 O SER B 8 9.843 7.967 37.860 1.00 45.01 O +ATOM 5 CB SER B 8 6.724 6.829 37.661 1.00 45.18 C +ATOM 6 OG SER B 8 6.782 5.415 37.553 1.00 45.33 O +ATOM 7 N GLY B 9 9.620 5.944 36.888 1.00 44.45 N +ATOM 8 CA GLY B 9 10.947 5.471 37.278 1.00 43.60 C +ATOM 9 C GLY B 9 10.906 4.026 37.742 1.00 43.06 C +ATOM 10 O GLY B 9 9.824 3.473 37.943 1.00 43.00 O +ATOM 11 N PRO B 10 12.085 3.400 37.913 1.00 42.50 N +ATOM 12 CA PRO B 10 12.136 2.012 38.377 1.00 42.10 C +ATOM 13 C PRO B 10 11.792 1.899 39.860 1.00 41.87 C +ATOM 14 O PRO B 10 11.747 2.918 40.557 1.00 41.54 O +ATOM 15 CB PRO B 10 13.590 1.604 38.130 1.00 42.14 C +ATOM 16 CG PRO B 10 14.354 2.860 38.053 1.00 41.79 C +ATOM 17 CD PRO B 10 13.425 3.964 37.668 1.00 42.21 C +ATOM 18 N SER B 11 11.549 0.676 40.336 1.00 41.73 N +ATOM 19 CA SER B 11 11.214 0.466 41.746 1.00 41.82 C +ATOM 20 C SER B 11 12.402 0.851 42.619 1.00 41.57 C +ATOM 21 O SER B 11 13.548 0.877 42.151 1.00 41.00 O +ATOM 22 CB SER B 11 10.755 -0.976 42.022 1.00 42.61 C +ATOM 23 OG SER B 11 11.825 -1.906 41.951 1.00 44.37 O +ATOM 24 N SER B 12 12.124 1.191 43.874 1.00 41.31 N +ATOM 25 CA SER B 12 13.184 1.548 44.797 1.00 41.23 C +ATOM 26 C SER B 12 14.004 0.303 45.105 1.00 40.59 C +ATOM 27 O SER B 12 13.435 -0.773 45.287 1.00 40.99 O +ATOM 28 CB SER B 12 12.607 2.142 46.084 1.00 41.53 C +ATOM 29 OG SER B 12 11.757 1.219 46.735 1.00 43.52 O +ATOM 30 N PRO B 13 15.345 0.434 45.126 1.00 39.99 N +ATOM 31 CA PRO B 13 16.155 -0.704 45.542 1.00 39.16 C +ATOM 32 C PRO B 13 15.782 -1.108 46.963 1.00 38.64 C +ATOM 33 O PRO B 13 15.242 -0.300 47.725 1.00 38.16 O +ATOM 34 CB PRO B 13 17.586 -0.144 45.537 1.00 39.36 C +ATOM 35 CG PRO B 13 17.544 1.025 44.619 1.00 39.83 C +ATOM 36 CD PRO B 13 16.172 1.607 44.782 1.00 39.80 C +ATOM 37 N SER B 14 16.070 -2.349 47.313 1.00 37.36 N +ATOM 38 CA SER B 14 15.864 -2.818 48.664 1.00 37.30 C +ATOM 39 C SER B 14 17.230 -3.008 49.308 1.00 37.06 C +ATOM 40 O SER B 14 18.036 -3.790 48.812 1.00 37.02 O +ATOM 41 CB SER B 14 15.073 -4.137 48.631 1.00 37.11 C +ATOM 42 OG SER B 14 15.230 -4.848 49.834 1.00 38.16 O +ATOM 43 N ILE B 15 17.499 -2.280 50.392 1.00 37.10 N +ATOM 44 CA ILE B 15 18.775 -2.402 51.105 1.00 37.13 C +ATOM 45 C ILE B 15 18.754 -3.683 51.922 1.00 37.11 C +ATOM 46 O ILE B 15 17.887 -3.874 52.777 1.00 37.36 O +ATOM 47 CB ILE B 15 19.077 -1.182 52.014 1.00 37.42 C +ATOM 48 CG1 ILE B 15 19.241 0.087 51.167 1.00 36.75 C +ATOM 49 CG2 ILE B 15 20.338 -1.448 52.854 1.00 37.18 C +ATOM 50 CD1 ILE B 15 19.408 1.382 51.969 1.00 37.38 C +ATOM 51 N ASP B 16 19.720 -4.556 51.655 1.00 37.03 N +ATOM 52 CA ASP B 16 19.730 -5.893 52.247 1.00 36.98 C +ATOM 53 C ASP B 16 20.836 -6.129 53.261 1.00 36.88 C +ATOM 54 O ASP B 16 20.696 -6.968 54.147 1.00 36.63 O +ATOM 55 CB ASP B 16 19.804 -6.938 51.131 1.00 36.88 C +ATOM 56 CG ASP B 16 18.586 -6.904 50.225 1.00 37.58 C +ATOM 57 OD1 ASP B 16 17.458 -6.711 50.734 1.00 37.67 O +ATOM 58 OD2 ASP B 16 18.751 -7.075 49.004 1.00 36.50 O +ATOM 59 N GLN B 17 21.933 -5.389 53.122 1.00 37.04 N +ATOM 60 CA GLN B 17 23.078 -5.537 54.002 1.00 37.49 C +ATOM 61 C GLN B 17 23.939 -4.286 53.950 1.00 37.57 C +ATOM 62 O GLN B 17 24.297 -3.799 52.873 1.00 37.41 O +ATOM 63 CB GLN B 17 23.890 -6.784 53.610 1.00 37.60 C +ATOM 64 CG GLN B 17 25.164 -7.028 54.415 1.00 37.83 C +ATOM 65 CD GLN B 17 25.791 -8.389 54.130 1.00 38.46 C +ATOM 66 OE1 GLN B 17 25.341 -9.129 53.249 1.00 39.32 O +ATOM 67 NE2 GLN B 17 26.836 -8.727 54.880 1.00 39.16 N +ATOM 68 N VAL B 18 24.246 -3.746 55.120 1.00 37.58 N +ATOM 69 CA VAL B 18 25.153 -2.618 55.201 1.00 38.15 C +ATOM 70 C VAL B 18 26.334 -3.056 56.049 1.00 38.04 C +ATOM 71 O VAL B 18 26.151 -3.527 57.179 1.00 37.71 O +ATOM 72 CB VAL B 18 24.495 -1.368 55.833 1.00 38.42 C +ATOM 73 CG1 VAL B 18 25.506 -0.214 55.912 1.00 39.60 C +ATOM 74 CG2 VAL B 18 23.265 -0.943 55.036 1.00 39.63 C +ATOM 75 N GLU B 19 27.531 -2.946 55.486 1.00 37.29 N +ATOM 76 CA GLU B 19 28.751 -3.229 56.223 1.00 37.47 C +ATOM 77 C GLU B 19 29.443 -1.902 56.495 1.00 37.41 C +ATOM 78 O GLU B 19 30.039 -1.309 55.596 1.00 37.28 O +ATOM 79 CB GLU B 19 29.666 -4.204 55.472 1.00 37.33 C +ATOM 80 CG GLU B 19 29.079 -5.620 55.340 1.00 39.02 C +ATOM 81 CD GLU B 19 28.791 -6.285 56.689 1.00 41.22 C +ATOM 82 OE1 GLU B 19 29.584 -6.095 57.643 1.00 41.88 O +ATOM 83 OE2 GLU B 19 27.773 -7.010 56.792 1.00 41.98 O +ATOM 84 N PRO B 20 29.321 -1.407 57.731 1.00 37.59 N +ATOM 85 CA PRO B 20 29.954 -0.142 58.049 1.00 37.54 C +ATOM 86 C PRO B 20 31.404 -0.299 58.479 1.00 37.59 C +ATOM 87 O PRO B 20 31.774 -1.293 59.112 1.00 36.94 O +ATOM 88 CB PRO B 20 29.116 0.396 59.214 1.00 37.53 C +ATOM 89 CG PRO B 20 28.224 -0.748 59.664 1.00 38.03 C +ATOM 90 CD PRO B 20 28.581 -1.965 58.877 1.00 37.73 C +ATOM 91 N TYR B 21 32.214 0.687 58.117 1.00 37.33 N +ATOM 92 CA TYR B 21 33.595 0.752 58.557 1.00 37.76 C +ATOM 93 C TYR B 21 33.708 2.064 59.327 1.00 37.71 C +ATOM 94 O TYR B 21 32.696 2.547 59.827 1.00 37.90 O +ATOM 95 CB TYR B 21 34.548 0.611 57.366 1.00 38.20 C +ATOM 96 CG TYR B 21 34.355 -0.724 56.671 1.00 39.05 C +ATOM 97 CD1 TYR B 21 35.049 -1.858 57.093 1.00 39.36 C +ATOM 98 CD2 TYR B 21 33.450 -0.860 55.618 1.00 39.57 C +ATOM 99 CE1 TYR B 21 34.863 -3.088 56.473 1.00 40.02 C +ATOM 100 CE2 TYR B 21 33.250 -2.094 54.992 1.00 39.37 C +ATOM 101 CZ TYR B 21 33.963 -3.197 55.422 1.00 39.81 C +ATOM 102 OH TYR B 21 33.774 -4.417 54.808 1.00 40.18 O +ATOM 103 N SER B 22 34.895 2.639 59.455 1.00 37.20 N +ATOM 104 CA SER B 22 35.020 3.861 60.246 1.00 37.00 C +ATOM 105 C SER B 22 34.561 5.119 59.494 1.00 36.57 C +ATOM 106 O SER B 22 33.898 5.976 60.070 1.00 36.37 O +ATOM 107 CB SER B 22 36.440 4.024 60.789 1.00 37.10 C +ATOM 108 OG SER B 22 37.372 4.172 59.733 1.00 38.59 O +ATOM 109 N SER B 23 34.906 5.225 58.215 1.00 36.04 N +ATOM 110 CA SER B 23 34.541 6.403 57.429 1.00 35.65 C +ATOM 111 C SER B 23 33.822 6.030 56.135 1.00 35.46 C +ATOM 112 O SER B 23 33.542 6.889 55.298 1.00 35.39 O +ATOM 113 CB SER B 23 35.780 7.247 57.120 1.00 36.15 C +ATOM 114 OG SER B 23 36.635 6.587 56.205 1.00 36.41 O +ATOM 115 N THR B 24 33.530 4.744 55.976 1.00 35.38 N +ATOM 116 CA THR B 24 32.862 4.242 54.777 1.00 35.60 C +ATOM 117 C THR B 24 31.837 3.188 55.158 1.00 35.61 C +ATOM 118 O THR B 24 31.881 2.636 56.255 1.00 35.61 O +ATOM 119 CB THR B 24 33.860 3.581 53.775 1.00 35.60 C +ATOM 120 OG1 THR B 24 34.427 2.410 54.372 1.00 36.20 O +ATOM 121 CG2 THR B 24 34.980 4.532 53.360 1.00 36.21 C +ATOM 122 N ALA B 25 30.914 2.908 54.243 1.00 35.67 N +ATOM 123 CA ALA B 25 29.926 1.861 54.450 1.00 35.95 C +ATOM 124 C ALA B 25 29.597 1.242 53.107 1.00 36.20 C +ATOM 125 O ALA B 25 29.390 1.948 52.118 1.00 36.11 O +ATOM 126 CB ALA B 25 28.676 2.405 55.105 1.00 35.79 C +ATOM 127 N GLN B 26 29.604 -0.080 53.069 1.00 36.13 N +ATOM 128 CA GLN B 26 29.224 -0.795 51.874 1.00 37.14 C +ATOM 129 C GLN B 26 27.757 -1.133 52.023 1.00 36.79 C +ATOM 130 O GLN B 26 27.351 -1.796 52.989 1.00 37.37 O +ATOM 131 CB GLN B 26 30.066 -2.057 51.701 1.00 37.11 C +ATOM 132 CG GLN B 26 31.545 -1.751 51.440 1.00 38.47 C +ATOM 133 CD GLN B 26 32.390 -3.003 51.302 1.00 39.23 C +ATOM 134 OE1 GLN B 26 33.308 -3.057 50.482 1.00 43.10 O +ATOM 135 NE2 GLN B 26 32.076 -4.024 52.098 1.00 42.12 N +ATOM 136 N VAL B 27 26.965 -0.661 51.072 1.00 36.42 N +ATOM 137 CA VAL B 27 25.528 -0.868 51.095 1.00 36.39 C +ATOM 138 C VAL B 27 25.183 -1.830 49.972 1.00 36.51 C +ATOM 139 O VAL B 27 25.356 -1.503 48.790 1.00 36.36 O +ATOM 140 CB VAL B 27 24.758 0.467 50.934 1.00 36.55 C +ATOM 141 CG1 VAL B 27 23.251 0.239 50.943 1.00 36.83 C +ATOM 142 CG2 VAL B 27 25.163 1.481 52.040 1.00 35.92 C +ATOM 143 N GLN B 28 24.754 -3.032 50.346 1.00 36.76 N +ATOM 144 CA GLN B 28 24.258 -4.001 49.365 1.00 37.19 C +ATOM 145 C GLN B 28 22.758 -3.948 49.269 1.00 37.28 C +ATOM 146 O GLN B 28 22.052 -3.896 50.279 1.00 37.66 O +ATOM 147 CB GLN B 28 24.715 -5.427 49.649 1.00 37.54 C +ATOM 148 CG GLN B 28 25.936 -5.803 48.859 1.00 37.86 C +ATOM 149 CD GLN B 28 26.424 -7.207 49.132 1.00 38.97 C +ATOM 150 OE1 GLN B 28 26.753 -7.952 48.204 1.00 37.61 O +ATOM 151 NE2 GLN B 28 26.472 -7.579 50.401 1.00 38.08 N +ATOM 152 N PHE B 29 22.281 -3.981 48.034 1.00 37.40 N +ATOM 153 CA PHE B 29 20.865 -3.897 47.758 1.00 37.34 C +ATOM 154 C PHE B 29 20.474 -4.872 46.662 1.00 37.41 C +ATOM 155 O PHE B 29 21.331 -5.453 45.987 1.00 37.09 O +ATOM 156 CB PHE B 29 20.528 -2.469 47.304 1.00 37.32 C +ATOM 157 CG PHE B 29 21.236 -2.053 46.045 1.00 37.79 C +ATOM 158 CD1 PHE B 29 20.645 -2.267 44.799 1.00 38.59 C +ATOM 159 CD2 PHE B 29 22.503 -1.480 46.096 1.00 37.69 C +ATOM 160 CE1 PHE B 29 21.306 -1.904 43.628 1.00 38.19 C +ATOM 161 CE2 PHE B 29 23.173 -1.115 44.930 1.00 37.80 C +ATOM 162 CZ PHE B 29 22.565 -1.324 43.694 1.00 38.08 C +ATOM 163 N ASP B 30 19.171 -5.045 46.488 1.00 37.59 N +ATOM 164 CA ASP B 30 18.668 -5.774 45.346 1.00 38.52 C +ATOM 165 C ASP B 30 17.760 -4.841 44.567 1.00 39.23 C +ATOM 166 O ASP B 30 17.187 -3.900 45.126 1.00 38.82 O +ATOM 167 CB ASP B 30 17.960 -7.075 45.752 1.00 38.09 C +ATOM 168 CG ASP B 30 16.651 -6.840 46.480 1.00 38.38 C +ATOM 169 OD1 ASP B 30 16.671 -6.874 47.724 1.00 37.32 O +ATOM 170 OD2 ASP B 30 15.601 -6.642 45.814 1.00 39.27 O +ATOM 171 N GLU B 31 17.656 -5.115 43.273 1.00 40.16 N +ATOM 172 CA GLU B 31 16.866 -4.341 42.339 1.00 41.43 C +ATOM 173 C GLU B 31 16.436 -5.311 41.239 1.00 41.93 C +ATOM 174 O GLU B 31 17.240 -6.131 40.809 1.00 42.18 O +ATOM 175 CB GLU B 31 17.741 -3.211 41.770 1.00 41.25 C +ATOM 176 CG GLU B 31 17.072 -2.311 40.731 1.00 43.30 C +ATOM 177 CD GLU B 31 15.974 -1.428 41.302 1.00 45.23 C +ATOM 178 OE1 GLU B 31 15.967 -1.185 42.522 1.00 46.52 O +ATOM 179 OE2 GLU B 31 15.114 -0.971 40.524 1.00 46.42 O +ATOM 180 N PRO B 32 15.160 -5.258 40.807 1.00 42.73 N +ATOM 181 CA PRO B 32 14.693 -6.145 39.731 1.00 43.50 C +ATOM 182 C PRO B 32 15.573 -6.140 38.473 1.00 44.23 C +ATOM 183 O PRO B 32 16.126 -5.093 38.110 1.00 44.02 O +ATOM 184 CB PRO B 32 13.299 -5.603 39.414 1.00 43.51 C +ATOM 185 CG PRO B 32 12.841 -5.016 40.703 1.00 43.12 C +ATOM 186 CD PRO B 32 14.068 -4.412 41.323 1.00 42.87 C +ATOM 187 N GLU B 33 15.701 -7.307 37.836 1.00 44.89 N +ATOM 188 CA GLU B 33 16.479 -7.467 36.595 1.00 45.85 C +ATOM 189 C GLU B 33 15.793 -6.756 35.427 1.00 46.14 C +ATOM 190 O GLU B 33 16.370 -5.858 34.805 1.00 46.68 O +ATOM 191 CB GLU B 33 16.674 -8.955 36.228 1.00 45.85 C +ATOM 192 CG GLU B 33 17.409 -9.839 37.268 1.00 46.77 C +ATOM 193 CD GLU B 33 18.867 -9.439 37.528 1.00 47.98 C +ATOM 194 OE1 GLU B 33 19.531 -8.902 36.605 1.00 49.71 O +ATOM 195 OE2 GLU B 33 19.355 -9.678 38.662 1.00 45.62 O +ATOM 196 N VAL B 38 14.490 -1.531 29.111 1.00 42.54 N +ATOM 197 CA VAL B 38 14.700 -0.340 29.934 1.00 42.18 C +ATOM 198 C VAL B 38 15.683 -0.639 31.082 1.00 41.93 C +ATOM 199 O VAL B 38 15.268 -0.872 32.221 1.00 41.99 O +ATOM 200 CB VAL B 38 13.358 0.239 30.473 1.00 42.15 C +ATOM 201 CG1 VAL B 38 13.588 1.569 31.191 1.00 42.56 C +ATOM 202 CG2 VAL B 38 12.354 0.420 29.345 1.00 43.09 C +ATOM 203 N PRO B 39 16.995 -0.642 30.778 1.00 41.49 N +ATOM 204 CA PRO B 39 18.007 -0.938 31.796 1.00 40.92 C +ATOM 205 C PRO B 39 18.108 0.119 32.893 1.00 40.01 C +ATOM 206 O PRO B 39 17.797 1.290 32.656 1.00 39.66 O +ATOM 207 CB PRO B 39 19.317 -0.946 30.994 1.00 41.34 C +ATOM 208 CG PRO B 39 19.040 -0.107 29.795 1.00 41.70 C +ATOM 209 CD PRO B 39 17.604 -0.374 29.460 1.00 41.28 C +ATOM 210 N ILE B 40 18.514 -0.309 34.088 1.00 38.99 N +ATOM 211 CA ILE B 40 18.846 0.620 35.153 1.00 38.40 C +ATOM 212 C ILE B 40 20.149 1.261 34.692 1.00 37.40 C +ATOM 213 O ILE B 40 21.063 0.561 34.246 1.00 37.23 O +ATOM 214 CB ILE B 40 19.082 -0.073 36.520 1.00 38.62 C +ATOM 215 CG1 ILE B 40 17.862 -0.895 36.963 1.00 39.65 C +ATOM 216 CG2 ILE B 40 19.487 0.965 37.585 1.00 38.23 C +ATOM 217 CD1 ILE B 40 16.638 -0.085 37.365 1.00 41.03 C +ATOM 218 N LEU B 41 20.216 2.582 34.762 1.00 36.40 N +ATOM 219 CA LEU B 41 21.390 3.317 34.293 1.00 35.83 C +ATOM 220 C LEU B 41 22.288 3.763 35.434 1.00 35.39 C +ATOM 221 O LEU B 41 23.517 3.692 35.341 1.00 34.86 O +ATOM 222 CB LEU B 41 20.940 4.528 33.474 1.00 36.18 C +ATOM 223 CG LEU B 41 20.064 4.130 32.275 1.00 36.25 C +ATOM 224 CD1 LEU B 41 19.520 5.362 31.578 1.00 38.08 C +ATOM 225 CD2 LEU B 41 20.826 3.239 31.301 1.00 37.10 C +ATOM 226 N LYS B 42 21.663 4.215 36.515 1.00 34.79 N +ATOM 227 CA LYS B 42 22.398 4.713 37.662 1.00 34.65 C +ATOM 228 C LYS B 42 21.634 4.411 38.938 1.00 34.53 C +ATOM 229 O LYS B 42 20.438 4.106 38.913 1.00 33.97 O +ATOM 230 CB LYS B 42 22.603 6.242 37.575 1.00 34.43 C +ATOM 231 CG LYS B 42 23.273 6.792 36.300 1.00 34.78 C +ATOM 232 CD LYS B 42 24.739 6.403 36.163 1.00 33.81 C +ATOM 233 CE LYS B 42 25.220 6.627 34.717 1.00 34.43 C +ATOM 234 NZ LYS B 42 26.710 6.544 34.577 1.00 33.12 N +ATOM 235 N TYR B 43 22.349 4.518 40.052 1.00 34.79 N +ATOM 236 CA TYR B 43 21.766 4.476 41.371 1.00 35.27 C +ATOM 237 C TYR B 43 22.152 5.762 42.074 1.00 35.50 C +ATOM 238 O TYR B 43 23.222 6.330 41.818 1.00 34.61 O +ATOM 239 CB TYR B 43 22.297 3.287 42.160 1.00 35.39 C +ATOM 240 CG TYR B 43 21.827 1.979 41.612 1.00 35.68 C +ATOM 241 CD1 TYR B 43 20.556 1.497 41.928 1.00 36.20 C +ATOM 242 CD2 TYR B 43 22.633 1.225 40.763 1.00 36.23 C +ATOM 243 CE1 TYR B 43 20.097 0.299 41.411 1.00 37.43 C +ATOM 244 CE2 TYR B 43 22.182 0.013 40.241 1.00 36.37 C +ATOM 245 CZ TYR B 43 20.915 -0.438 40.574 1.00 36.23 C +ATOM 246 OH TYR B 43 20.449 -1.633 40.095 1.00 36.44 O +ATOM 247 N LYS B 44 21.267 6.238 42.938 1.00 35.83 N +ATOM 248 CA LYS B 44 21.587 7.398 43.747 1.00 36.09 C +ATOM 249 C LYS B 44 21.393 7.017 45.200 1.00 36.22 C +ATOM 250 O LYS B 44 20.337 6.501 45.588 1.00 36.62 O +ATOM 251 CB LYS B 44 20.722 8.602 43.372 1.00 36.55 C +ATOM 252 CG LYS B 44 21.123 9.896 44.100 1.00 36.85 C +ATOM 253 CD LYS B 44 20.157 11.012 43.749 1.00 40.31 C +ATOM 254 CE LYS B 44 20.583 12.321 44.396 1.00 41.42 C +ATOM 255 NZ LYS B 44 19.721 13.453 43.951 1.00 42.02 N +ATOM 256 N ALA B 45 22.433 7.225 46.000 1.00 35.70 N +ATOM 257 CA ALA B 45 22.335 6.958 47.420 1.00 35.06 C +ATOM 258 C ALA B 45 22.179 8.280 48.131 1.00 35.28 C +ATOM 259 O ALA B 45 22.709 9.299 47.679 1.00 33.90 O +ATOM 260 CB ALA B 45 23.568 6.229 47.919 1.00 35.15 C +ATOM 261 N GLU B 46 21.404 8.275 49.211 1.00 35.15 N +ATOM 262 CA GLU B 46 21.303 9.437 50.075 1.00 35.88 C +ATOM 263 C GLU B 46 21.545 8.965 51.489 1.00 35.04 C +ATOM 264 O GLU B 46 21.113 7.879 51.872 1.00 35.20 O +ATOM 265 CB GLU B 46 19.929 10.102 49.998 1.00 36.14 C +ATOM 266 CG GLU B 46 19.588 10.741 48.669 1.00 38.10 C +ATOM 267 CD GLU B 46 18.261 11.486 48.726 1.00 38.77 C +ATOM 268 OE1 GLU B 46 17.404 11.148 49.573 1.00 42.53 O +ATOM 269 OE2 GLU B 46 18.076 12.423 47.932 1.00 42.84 O +ATOM 270 N TRP B 47 22.249 9.772 52.269 1.00 34.68 N +ATOM 271 CA TRP B 47 22.478 9.432 53.663 1.00 34.09 C +ATOM 272 C TRP B 47 22.511 10.691 54.512 1.00 34.02 C +ATOM 273 O TRP B 47 22.727 11.799 54.006 1.00 33.17 O +ATOM 274 CB TRP B 47 23.748 8.590 53.838 1.00 34.47 C +ATOM 275 CG TRP B 47 25.009 9.319 53.443 1.00 35.29 C +ATOM 276 CD1 TRP B 47 25.889 9.959 54.273 1.00 34.61 C +ATOM 277 CD2 TRP B 47 25.509 9.478 52.116 1.00 34.56 C +ATOM 278 NE1 TRP B 47 26.917 10.500 53.534 1.00 34.55 N +ATOM 279 CE2 TRP B 47 26.705 10.215 52.207 1.00 35.04 C +ATOM 280 CE3 TRP B 47 25.062 9.050 50.847 1.00 36.25 C +ATOM 281 CZ2 TRP B 47 27.458 10.557 51.082 1.00 34.33 C +ATOM 282 CZ3 TRP B 47 25.816 9.384 49.726 1.00 34.76 C +ATOM 283 CH2 TRP B 47 26.999 10.133 49.851 1.00 34.42 C +ATOM 284 N ARG B 48 22.282 10.520 55.806 1.00 33.59 N +ATOM 285 CA ARG B 48 22.224 11.650 56.717 1.00 33.67 C +ATOM 286 C ARG B 48 22.585 11.156 58.106 1.00 33.27 C +ATOM 287 O ARG B 48 22.054 10.144 58.553 1.00 32.94 O +ATOM 288 CB ARG B 48 20.805 12.231 56.701 1.00 33.68 C +ATOM 289 CG ARG B 48 20.608 13.438 57.569 1.00 35.77 C +ATOM 290 CD ARG B 48 19.234 14.044 57.369 1.00 37.09 C +ATOM 291 NE ARG B 48 18.179 13.249 57.992 1.00 39.55 N +ATOM 292 CZ ARG B 48 16.928 13.669 58.147 1.00 40.78 C +ATOM 293 NH1 ARG B 48 16.570 14.877 57.727 1.00 39.94 N +ATOM 294 NH2 ARG B 48 16.034 12.885 58.731 1.00 41.78 N +ATOM 295 N ALA B 49 23.507 11.854 58.768 1.00 33.07 N +ATOM 296 CA ALA B 49 23.864 11.539 60.142 1.00 33.45 C +ATOM 297 C ALA B 49 22.666 11.854 61.023 1.00 33.43 C +ATOM 298 O ALA B 49 21.847 12.719 60.689 1.00 32.79 O +ATOM 299 CB ALA B 49 25.084 12.339 60.589 1.00 33.76 C +ATOM 300 N VAL B 50 22.562 11.145 62.143 1.00 33.55 N +ATOM 301 CA VAL B 50 21.444 11.325 63.075 1.00 33.87 C +ATOM 302 C VAL B 50 21.235 12.789 63.487 1.00 34.13 C +ATOM 303 O VAL B 50 20.097 13.228 63.649 1.00 34.52 O +ATOM 304 CB VAL B 50 21.546 10.351 64.303 1.00 33.96 C +ATOM 305 CG1 VAL B 50 22.803 10.616 65.137 1.00 33.88 C +ATOM 306 CG2 VAL B 50 20.296 10.411 65.178 1.00 34.05 C +ATOM 307 N GLY B 51 22.317 13.552 63.617 1.00 34.27 N +ATOM 308 CA GLY B 51 22.209 14.961 64.011 1.00 35.20 C +ATOM 309 C GLY B 51 22.159 15.973 62.867 1.00 35.67 C +ATOM 310 O GLY B 51 22.231 17.178 63.110 1.00 35.26 O +ATOM 311 N GLU B 52 22.031 15.487 61.632 1.00 36.39 N +ATOM 312 CA GLU B 52 21.991 16.348 60.433 1.00 37.80 C +ATOM 313 C GLU B 52 20.575 16.568 59.896 1.00 37.52 C +ATOM 314 O GLU B 52 19.671 15.779 60.161 1.00 37.00 O +ATOM 315 CB GLU B 52 22.840 15.753 59.299 1.00 38.01 C +ATOM 316 CG GLU B 52 24.311 15.567 59.621 1.00 39.58 C +ATOM 317 CD GLU B 52 25.136 15.097 58.416 1.00 40.19 C +ATOM 318 OE1 GLU B 52 26.199 15.722 58.199 1.00 44.27 O +ATOM 319 OE2 GLU B 52 24.741 14.138 57.685 1.00 39.19 O +ATOM 320 N GLU B 53 20.401 17.643 59.129 1.00 37.62 N +ATOM 321 CA GLU B 53 19.127 17.943 58.472 1.00 37.96 C +ATOM 322 C GLU B 53 19.170 17.591 56.992 1.00 37.79 C +ATOM 323 O GLU B 53 18.210 17.039 56.440 1.00 37.96 O +ATOM 324 CB GLU B 53 18.767 19.432 58.606 1.00 38.15 C +ATOM 325 CG GLU B 53 18.772 19.988 60.024 1.00 39.55 C +ATOM 326 CD GLU B 53 17.865 19.225 60.972 1.00 41.37 C +ATOM 327 OE1 GLU B 53 18.101 19.321 62.189 1.00 41.00 O +ATOM 328 OE2 GLU B 53 16.937 18.519 60.504 1.00 42.51 O +ATOM 329 N VAL B 54 20.290 17.904 56.351 1.00 37.51 N +ATOM 330 CA VAL B 54 20.411 17.716 54.911 1.00 37.77 C +ATOM 331 C VAL B 54 20.913 16.315 54.581 1.00 37.47 C +ATOM 332 O VAL B 54 21.840 15.797 55.220 1.00 37.58 O +ATOM 333 CB VAL B 54 21.316 18.801 54.263 1.00 37.67 C +ATOM 334 CG1 VAL B 54 21.410 18.621 52.749 1.00 39.07 C +ATOM 335 CG2 VAL B 54 20.788 20.195 54.583 1.00 39.24 C +ATOM 336 N TRP B 55 20.280 15.706 53.585 1.00 36.72 N +ATOM 337 CA TRP B 55 20.704 14.419 53.093 1.00 36.32 C +ATOM 338 C TRP B 55 21.858 14.597 52.125 1.00 36.45 C +ATOM 339 O TRP B 55 21.744 15.350 51.154 1.00 36.55 O +ATOM 340 CB TRP B 55 19.545 13.721 52.376 1.00 36.58 C +ATOM 341 CG TRP B 55 18.484 13.248 53.308 1.00 36.71 C +ATOM 342 CD1 TRP B 55 17.444 13.980 53.809 1.00 36.91 C +ATOM 343 CD2 TRP B 55 18.358 11.938 53.859 1.00 36.23 C +ATOM 344 NE1 TRP B 55 16.680 13.204 54.644 1.00 36.18 N +ATOM 345 CE2 TRP B 55 17.216 11.945 54.693 1.00 36.52 C +ATOM 346 CE3 TRP B 55 19.101 10.758 53.736 1.00 35.20 C +ATOM 347 CZ2 TRP B 55 16.797 10.813 55.404 1.00 36.38 C +ATOM 348 CZ3 TRP B 55 18.683 9.630 54.442 1.00 36.45 C +ATOM 349 CH2 TRP B 55 17.539 9.668 55.262 1.00 37.25 C +ATOM 350 N HIS B 56 22.970 13.922 52.386 1.00 35.61 N +ATOM 351 CA HIS B 56 24.053 13.889 51.409 1.00 35.96 C +ATOM 352 C HIS B 56 23.662 12.924 50.308 1.00 35.27 C +ATOM 353 O HIS B 56 22.792 12.094 50.512 1.00 34.87 O +ATOM 354 CB HIS B 56 25.364 13.454 52.050 1.00 36.40 C +ATOM 355 CG HIS B 56 25.890 14.439 53.046 1.00 38.05 C +ATOM 356 ND1 HIS B 56 26.231 15.726 52.706 1.00 41.66 N +ATOM 357 CD2 HIS B 56 26.110 14.329 54.376 1.00 40.61 C +ATOM 358 CE1 HIS B 56 26.653 16.368 53.782 1.00 41.74 C +ATOM 359 NE2 HIS B 56 26.585 15.542 54.810 1.00 41.56 N +ATOM 360 N SER B 57 24.280 13.047 49.135 1.00 34.79 N +ATOM 361 CA SER B 57 23.977 12.116 48.053 1.00 34.82 C +ATOM 362 C SER B 57 25.193 11.860 47.192 1.00 34.43 C +ATOM 363 O SER B 57 26.146 12.641 47.198 1.00 33.41 O +ATOM 364 CB SER B 57 22.829 12.617 47.174 1.00 34.70 C +ATOM 365 OG SER B 57 23.222 13.745 46.426 1.00 35.20 O +ATOM 366 N LYS B 58 25.141 10.747 46.475 1.00 34.03 N +ATOM 367 CA LYS B 58 26.172 10.380 45.528 1.00 34.02 C +ATOM 368 C LYS B 58 25.551 9.464 44.485 1.00 33.61 C +ATOM 369 O LYS B 58 24.680 8.649 44.790 1.00 33.06 O +ATOM 370 CB LYS B 58 27.332 9.662 46.221 1.00 34.26 C +ATOM 371 CG LYS B 58 28.497 9.339 45.271 1.00 35.39 C +ATOM 372 CD LYS B 58 29.759 8.964 46.037 1.00 36.01 C +ATOM 373 CE LYS B 58 30.884 8.618 45.079 1.00 37.10 C +ATOM 374 NZ LYS B 58 32.161 8.384 45.812 1.00 35.82 N +ATOM 375 N TRP B 59 26.020 9.611 43.259 1.00 33.27 N +ATOM 376 CA TRP B 59 25.548 8.810 42.152 1.00 33.93 C +ATOM 377 C TRP B 59 26.534 7.696 41.861 1.00 33.90 C +ATOM 378 O TRP B 59 27.759 7.862 42.023 1.00 34.31 O +ATOM 379 CB TRP B 59 25.409 9.705 40.925 1.00 33.99 C +ATOM 380 CG TRP B 59 24.239 10.630 40.991 1.00 34.52 C +ATOM 381 CD1 TRP B 59 24.191 11.870 41.572 1.00 34.51 C +ATOM 382 CD2 TRP B 59 22.940 10.388 40.446 1.00 34.78 C +ATOM 383 NE1 TRP B 59 22.937 12.415 41.415 1.00 34.23 N +ATOM 384 CE2 TRP B 59 22.151 11.523 40.727 1.00 34.48 C +ATOM 385 CE3 TRP B 59 22.363 9.312 39.748 1.00 35.53 C +ATOM 386 CZ2 TRP B 59 20.813 11.622 40.325 1.00 34.79 C +ATOM 387 CZ3 TRP B 59 21.030 9.412 39.351 1.00 35.64 C +ATOM 388 CH2 TRP B 59 20.272 10.561 39.644 1.00 34.87 C +ATOM 389 N TYR B 60 25.999 6.589 41.356 1.00 34.14 N +ATOM 390 CA TYR B 60 26.782 5.397 41.079 1.00 33.92 C +ATOM 391 C TYR B 60 26.337 4.818 39.750 1.00 34.41 C +ATOM 392 O TYR B 60 25.143 4.778 39.451 1.00 34.08 O +ATOM 393 CB TYR B 60 26.544 4.351 42.180 1.00 34.13 C +ATOM 394 CG TYR B 60 26.961 4.816 43.554 1.00 33.32 C +ATOM 395 CD1 TYR B 60 28.248 4.578 44.024 1.00 34.01 C +ATOM 396 CD2 TYR B 60 26.074 5.521 44.376 1.00 34.01 C +ATOM 397 CE1 TYR B 60 28.654 5.049 45.303 1.00 35.05 C +ATOM 398 CE2 TYR B 60 26.461 5.975 45.650 1.00 33.91 C +ATOM 399 CZ TYR B 60 27.747 5.732 46.099 1.00 33.99 C +ATOM 400 OH TYR B 60 28.130 6.169 47.348 1.00 34.92 O +ATOM 401 N ASP B 61 27.300 4.378 38.954 1.00 34.57 N +ATOM 402 CA ASP B 61 26.989 3.741 37.699 1.00 35.12 C +ATOM 403 C ASP B 61 26.336 2.377 37.962 1.00 35.43 C +ATOM 404 O ASP B 61 26.833 1.598 38.779 1.00 35.61 O +ATOM 405 CB ASP B 61 28.248 3.534 36.887 1.00 34.70 C +ATOM 406 CG ASP B 61 27.961 2.894 35.555 1.00 37.01 C +ATOM 407 OD1 ASP B 61 27.267 3.530 34.719 1.00 37.30 O +ATOM 408 OD2 ASP B 61 28.438 1.760 35.354 1.00 37.74 O +ATOM 409 N ALA B 62 25.244 2.090 37.258 1.00 35.78 N +ATOM 410 CA ALA B 62 24.507 0.839 37.485 1.00 36.62 C +ATOM 411 C ALA B 62 25.330 -0.393 37.135 1.00 37.21 C +ATOM 412 O ALA B 62 25.316 -1.367 37.870 1.00 37.10 O +ATOM 413 CB ALA B 62 23.197 0.828 36.715 1.00 37.12 C +ATOM 414 N LYS B 63 26.054 -0.343 36.019 1.00 37.68 N +ATOM 415 CA LYS B 63 26.850 -1.485 35.585 1.00 38.86 C +ATOM 416 C LYS B 63 27.930 -1.857 36.612 1.00 38.84 C +ATOM 417 O LYS B 63 28.146 -3.036 36.894 1.00 39.21 O +ATOM 418 CB LYS B 63 27.418 -1.247 34.176 1.00 39.04 C +ATOM 419 CG LYS B 63 27.916 -2.496 33.460 1.00 41.98 C +ATOM 420 CD LYS B 63 29.432 -2.653 33.551 1.00 45.58 C +ATOM 421 CE LYS B 63 29.878 -4.018 33.034 1.00 46.98 C +ATOM 422 NZ LYS B 63 29.374 -4.337 31.664 1.00 48.23 N +ATOM 423 N GLU B 64 28.581 -0.851 37.186 1.00 39.25 N +ATOM 424 CA GLU B 64 29.598 -1.078 38.210 1.00 39.31 C +ATOM 425 C GLU B 64 28.981 -1.623 39.497 1.00 38.52 C +ATOM 426 O GLU B 64 29.524 -2.541 40.119 1.00 38.60 O +ATOM 427 CB GLU B 64 30.370 0.213 38.520 1.00 39.82 C +ATOM 428 CG AGLU B 64 31.590 -0.067 39.396 0.50 40.34 C +ATOM 429 CG BGLU B 64 31.175 0.758 37.337 0.50 40.85 C +ATOM 430 CD AGLU B 64 32.149 1.137 40.123 0.50 40.86 C +ATOM 431 CD BGLU B 64 32.403 -0.076 37.025 0.50 42.62 C +ATOM 432 OE1AGLU B 64 31.581 2.249 40.035 0.50 42.93 O +ATOM 433 OE1BGLU B 64 32.878 -0.795 37.932 0.50 43.94 O +ATOM 434 OE2AGLU B 64 33.171 0.951 40.808 0.50 39.85 O +ATOM 435 OE2BGLU B 64 32.901 -0.006 35.878 0.50 43.24 O +ATOM 436 N ALA B 65 27.850 -1.048 39.894 1.00 37.61 N +ATOM 437 CA ALA B 65 27.123 -1.507 41.079 1.00 37.00 C +ATOM 438 C ALA B 65 26.480 -2.893 40.889 1.00 37.11 C +ATOM 439 O ALA B 65 26.211 -3.588 41.864 1.00 36.18 O +ATOM 440 CB ALA B 65 26.062 -0.503 41.457 1.00 36.85 C +ATOM 441 N SER B 66 26.242 -3.282 39.642 1.00 37.18 N +ATOM 442 CA SER B 66 25.512 -4.518 39.343 1.00 37.98 C +ATOM 443 C SER B 66 26.226 -5.817 39.720 1.00 38.35 C +ATOM 444 O SER B 66 25.560 -6.800 40.018 1.00 37.39 O +ATOM 445 CB SER B 66 25.096 -4.561 37.872 1.00 37.91 C +ATOM 446 OG SER B 66 26.206 -4.840 37.026 1.00 39.60 O +ATOM 455 N GLU B 68 27.909 -6.778 42.374 1.00 37.61 N +ATOM 456 CA GLU B 68 27.592 -7.201 43.729 1.00 37.03 C +ATOM 457 C GLU B 68 26.374 -6.496 44.312 1.00 36.63 C +ATOM 458 O GLU B 68 26.047 -6.697 45.479 1.00 36.18 O +ATOM 459 CB GLU B 68 28.813 -7.026 44.638 1.00 36.84 C +ATOM 460 CG GLU B 68 29.941 -7.995 44.320 1.00 37.38 C +ATOM 461 CD GLU B 68 31.099 -7.868 45.277 1.00 39.20 C +ATOM 462 OE1 GLU B 68 31.783 -6.820 45.257 1.00 39.13 O +ATOM 463 OE2 GLU B 68 31.325 -8.819 46.042 1.00 39.00 O +ATOM 464 N GLY B 69 25.688 -5.702 43.488 1.00 36.45 N +ATOM 465 CA GLY B 69 24.550 -4.906 43.946 1.00 36.69 C +ATOM 466 C GLY B 69 25.027 -4.072 45.113 1.00 37.21 C +ATOM 467 O GLY B 69 24.424 -4.091 46.179 1.00 37.53 O +ATOM 468 N ILE B 70 26.138 -3.360 44.907 1.00 36.89 N +ATOM 469 CA ILE B 70 26.797 -2.636 45.977 1.00 37.29 C +ATOM 470 C ILE B 70 27.070 -1.179 45.608 1.00 36.77 C +ATOM 471 O ILE B 70 27.427 -0.869 44.461 1.00 36.34 O +ATOM 472 CB ILE B 70 28.168 -3.312 46.388 1.00 37.18 C +ATOM 473 CG1AILE B 70 28.576 -2.907 47.808 0.50 36.95 C +ATOM 474 CG1BILE B 70 27.971 -4.582 47.201 0.50 37.45 C +ATOM 475 CG2AILE B 70 29.247 -3.065 45.332 0.50 37.37 C +ATOM 476 CG2BILE B 70 29.022 -2.355 47.231 0.50 37.73 C +ATOM 477 CD1AILE B 70 29.756 -3.689 48.349 0.50 37.81 C +ATOM 478 CD1BILE B 70 29.255 -5.131 47.852 0.50 37.01 C +ATOM 479 N VAL B 71 26.871 -0.293 46.579 1.00 36.82 N +ATOM 480 CA VAL B 71 27.376 1.082 46.479 1.00 36.73 C +ATOM 481 C VAL B 71 28.139 1.344 47.777 1.00 37.07 C +ATOM 482 O VAL B 71 27.759 0.846 48.839 1.00 36.58 O +ATOM 483 CB VAL B 71 26.279 2.169 46.201 1.00 36.84 C +ATOM 484 CG1 VAL B 71 25.606 1.941 44.839 1.00 37.40 C +ATOM 485 CG2 VAL B 71 25.215 2.245 47.315 1.00 37.55 C +ATOM 486 N THR B 72 29.246 2.064 47.678 1.00 36.77 N +ATOM 487 CA THR B 72 30.034 2.389 48.852 1.00 37.64 C +ATOM 488 C THR B 72 29.902 3.872 49.156 1.00 37.38 C +ATOM 489 O THR B 72 30.120 4.729 48.286 1.00 36.54 O +ATOM 490 CB THR B 72 31.528 1.983 48.696 1.00 37.80 C +ATOM 491 OG1 THR B 72 31.611 0.561 48.561 1.00 39.79 O +ATOM 492 CG2 THR B 72 32.331 2.395 49.927 1.00 38.35 C +ATOM 493 N ILE B 73 29.514 4.156 50.394 1.00 37.55 N +ATOM 494 CA ILE B 73 29.396 5.513 50.884 1.00 37.81 C +ATOM 495 C ILE B 73 30.708 5.815 51.579 1.00 37.54 C +ATOM 496 O ILE B 73 31.160 5.024 52.402 1.00 36.85 O +ATOM 497 CB ILE B 73 28.288 5.645 51.962 1.00 38.07 C +ATOM 498 CG1 ILE B 73 26.974 4.957 51.551 1.00 41.66 C +ATOM 499 CG2 ILE B 73 28.097 7.114 52.358 1.00 39.10 C +ATOM 500 CD1 ILE B 73 26.235 5.604 50.415 1.00 44.57 C +ATOM 501 N VAL B 74 31.310 6.960 51.266 1.00 37.00 N +ATOM 502 CA VAL B 74 32.582 7.355 51.873 1.00 37.07 C +ATOM 503 C VAL B 74 32.479 8.726 52.534 1.00 37.39 C +ATOM 504 O VAL B 74 31.455 9.405 52.409 1.00 37.55 O +ATOM 505 CB VAL B 74 33.757 7.358 50.851 1.00 37.34 C +ATOM 506 CG1 VAL B 74 33.817 6.026 50.094 1.00 36.49 C +ATOM 507 CG2 VAL B 74 33.649 8.533 49.863 1.00 36.78 C +ATOM 508 N GLY B 75 33.538 9.109 53.245 1.00 36.95 N +ATOM 509 CA GLY B 75 33.633 10.415 53.877 1.00 37.37 C +ATOM 510 C GLY B 75 32.775 10.537 55.114 1.00 37.53 C +ATOM 511 O GLY B 75 32.459 11.642 55.542 1.00 37.74 O +ATOM 512 N LEU B 76 32.407 9.399 55.697 1.00 36.77 N +ATOM 513 CA LEU B 76 31.575 9.384 56.886 1.00 36.89 C +ATOM 514 C LEU B 76 32.399 9.656 58.125 1.00 37.18 C +ATOM 515 O LEU B 76 33.620 9.479 58.127 1.00 36.52 O +ATOM 516 CB LEU B 76 30.872 8.026 57.040 1.00 36.36 C +ATOM 517 CG LEU B 76 30.024 7.582 55.849 1.00 36.69 C +ATOM 518 CD1 LEU B 76 29.525 6.167 56.067 1.00 34.30 C +ATOM 519 CD2 LEU B 76 28.861 8.546 55.618 1.00 35.53 C +ATOM 520 N LYS B 77 31.709 10.088 59.173 1.00 38.04 N +ATOM 521 CA LYS B 77 32.319 10.345 60.472 1.00 39.47 C +ATOM 522 C LYS B 77 32.276 9.056 61.292 1.00 38.68 C +ATOM 523 O LYS B 77 31.251 8.375 61.311 1.00 39.18 O +ATOM 524 CB LYS B 77 31.563 11.454 61.201 1.00 39.44 C +ATOM 525 CG LYS B 77 31.770 12.845 60.600 1.00 42.08 C +ATOM 526 CD LYS B 77 30.866 13.919 61.231 1.00 42.23 C +ATOM 527 CE LYS B 77 29.411 13.773 60.768 1.00 47.58 C +ATOM 528 NZ LYS B 77 28.641 15.051 60.911 1.00 49.59 N +ATOM 529 N PRO B 78 33.398 8.696 61.941 1.00 38.33 N +ATOM 530 CA PRO B 78 33.458 7.508 62.795 1.00 38.02 C +ATOM 531 C PRO B 78 32.473 7.570 63.968 1.00 37.52 C +ATOM 532 O PRO B 78 32.091 8.663 64.397 1.00 37.23 O +ATOM 533 CB PRO B 78 34.902 7.519 63.309 1.00 38.02 C +ATOM 534 CG PRO B 78 35.653 8.293 62.287 1.00 38.81 C +ATOM 535 CD PRO B 78 34.705 9.371 61.859 1.00 38.43 C +ATOM 536 N GLU B 79 32.063 6.397 64.455 1.00 37.05 N +ATOM 537 CA GLU B 79 31.124 6.261 65.582 1.00 36.69 C +ATOM 538 C GLU B 79 29.885 7.143 65.445 1.00 36.19 C +ATOM 539 O GLU B 79 29.455 7.786 66.401 1.00 35.40 O +ATOM 540 CB GLU B 79 31.829 6.539 66.914 1.00 37.03 C +ATOM 541 CG GLU B 79 33.101 5.754 67.089 1.00 38.37 C +ATOM 542 CD GLU B 79 33.718 5.937 68.449 1.00 39.96 C +ATOM 543 OE1 GLU B 79 34.812 6.534 68.521 1.00 41.20 O +ATOM 544 OE2 GLU B 79 33.104 5.496 69.444 1.00 41.69 O +ATOM 545 N THR B 80 29.304 7.143 64.251 1.00 35.80 N +ATOM 546 CA THR B 80 28.168 7.999 63.945 1.00 35.72 C +ATOM 547 C THR B 80 27.060 7.184 63.296 1.00 35.30 C +ATOM 548 O THR B 80 27.308 6.387 62.388 1.00 35.14 O +ATOM 549 CB THR B 80 28.601 9.182 63.025 1.00 36.13 C +ATOM 550 OG1 THR B 80 29.573 9.979 63.710 1.00 36.17 O +ATOM 551 CG2 THR B 80 27.422 10.080 62.645 1.00 36.80 C +ATOM 552 N THR B 81 25.840 7.386 63.780 1.00 34.60 N +ATOM 553 CA THR B 81 24.674 6.735 63.219 1.00 34.33 C +ATOM 554 C THR B 81 24.178 7.497 62.002 1.00 34.37 C +ATOM 555 O THR B 81 24.031 8.724 62.044 1.00 34.09 O +ATOM 556 CB THR B 81 23.556 6.601 64.273 1.00 34.38 C +ATOM 557 OG1 THR B 81 24.043 5.800 65.344 1.00 34.09 O +ATOM 558 CG2 THR B 81 22.312 5.941 63.690 1.00 34.16 C +ATOM 559 N TYR B 82 23.939 6.747 60.923 1.00 34.10 N +ATOM 560 CA TYR B 82 23.443 7.292 59.668 1.00 34.24 C +ATOM 561 C TYR B 82 22.192 6.577 59.237 1.00 34.12 C +ATOM 562 O TYR B 82 21.985 5.412 59.573 1.00 34.26 O +ATOM 563 CB TYR B 82 24.472 7.107 58.541 1.00 33.70 C +ATOM 564 CG TYR B 82 25.661 8.002 58.662 1.00 34.29 C +ATOM 565 CD1 TYR B 82 25.668 9.273 58.073 1.00 32.93 C +ATOM 566 CD2 TYR B 82 26.779 7.588 59.362 1.00 33.60 C +ATOM 567 CE1 TYR B 82 26.759 10.103 58.207 1.00 34.49 C +ATOM 568 CE2 TYR B 82 27.866 8.396 59.497 1.00 32.95 C +ATOM 569 CZ TYR B 82 27.860 9.650 58.924 1.00 33.68 C +ATOM 570 OH TYR B 82 28.962 10.442 59.087 1.00 33.62 O +ATOM 571 N ALA B 83 21.353 7.302 58.507 1.00 33.96 N +ATOM 572 CA ALA B 83 20.245 6.708 57.780 1.00 34.23 C +ATOM 573 C ALA B 83 20.709 6.724 56.337 1.00 34.01 C +ATOM 574 O ALA B 83 21.328 7.697 55.901 1.00 33.30 O +ATOM 575 CB ALA B 83 18.990 7.542 57.929 1.00 34.77 C +ATOM 576 N VAL B 84 20.436 5.653 55.593 1.00 33.83 N +ATOM 577 CA VAL B 84 20.809 5.617 54.177 1.00 33.67 C +ATOM 578 C VAL B 84 19.621 5.108 53.372 1.00 33.97 C +ATOM 579 O VAL B 84 18.887 4.222 53.829 1.00 33.22 O +ATOM 580 CB VAL B 84 22.094 4.746 53.915 1.00 33.82 C +ATOM 581 CG1 VAL B 84 21.903 3.276 54.392 1.00 34.03 C +ATOM 582 CG2 VAL B 84 22.518 4.794 52.435 1.00 33.87 C +ATOM 583 N ARG B 85 19.417 5.687 52.197 1.00 33.82 N +ATOM 584 CA ARG B 85 18.347 5.236 51.301 1.00 34.31 C +ATOM 585 C ARG B 85 18.843 5.315 49.864 1.00 34.54 C +ATOM 586 O ARG B 85 19.787 6.055 49.576 1.00 34.69 O +ATOM 587 CB ARG B 85 17.072 6.055 51.522 1.00 34.26 C +ATOM 588 CG ARG B 85 17.269 7.550 51.365 1.00 35.83 C +ATOM 589 CD ARG B 85 16.107 8.334 51.952 1.00 37.21 C +ATOM 590 NE ARG B 85 16.201 9.732 51.548 1.00 37.87 N +ATOM 591 CZ ARG B 85 15.383 10.692 51.961 1.00 38.93 C +ATOM 592 NH1 ARG B 85 14.393 10.420 52.805 1.00 39.56 N +ATOM 593 NH2 ARG B 85 15.560 11.926 51.523 1.00 40.08 N +ATOM 594 N LEU B 86 18.232 4.533 48.977 1.00 34.34 N +ATOM 595 CA LEU B 86 18.680 4.437 47.588 1.00 34.96 C +ATOM 596 C LEU B 86 17.541 4.618 46.594 1.00 34.52 C +ATOM 597 O LEU B 86 16.386 4.335 46.895 1.00 34.11 O +ATOM 598 CB LEU B 86 19.324 3.071 47.332 1.00 35.52 C +ATOM 599 CG LEU B 86 20.368 2.508 48.300 1.00 38.15 C +ATOM 600 CD1 LEU B 86 20.716 1.103 47.868 1.00 41.01 C +ATOM 601 CD2 LEU B 86 21.614 3.372 48.326 1.00 40.04 C +ATOM 602 N ALA B 87 17.882 5.115 45.413 1.00 34.58 N +ATOM 603 CA ALA B 87 16.933 5.226 44.319 1.00 34.69 C +ATOM 604 C ALA B 87 17.654 4.737 43.068 1.00 34.97 C +ATOM 605 O ALA B 87 18.890 4.720 43.019 1.00 35.00 O +ATOM 606 CB ALA B 87 16.462 6.664 44.155 1.00 34.85 C +ATOM 607 N ALA B 88 16.888 4.318 42.070 1.00 34.68 N +ATOM 608 CA ALA B 88 17.456 3.824 40.824 1.00 34.86 C +ATOM 609 C ALA B 88 17.007 4.737 39.697 1.00 35.09 C +ATOM 610 O ALA B 88 15.927 5.322 39.758 1.00 35.25 O +ATOM 611 CB ALA B 88 17.009 2.368 40.566 1.00 34.78 C +ATOM 612 N LEU B 89 17.861 4.894 38.693 1.00 35.21 N +ATOM 613 CA LEU B 89 17.551 5.727 37.542 1.00 35.71 C +ATOM 614 C LEU B 89 17.521 4.880 36.277 1.00 35.83 C +ATOM 615 O LEU B 89 18.440 4.096 36.027 1.00 35.63 O +ATOM 616 CB LEU B 89 18.605 6.828 37.365 1.00 35.74 C +ATOM 617 CG LEU B 89 18.401 7.807 36.198 1.00 36.41 C +ATOM 618 CD1 LEU B 89 17.629 9.028 36.661 1.00 37.50 C +ATOM 619 CD2 LEU B 89 19.733 8.253 35.619 1.00 37.08 C +ATOM 620 N ASN B 90 16.456 5.035 35.497 1.00 36.37 N +ATOM 621 CA ASN B 90 16.410 4.475 34.152 1.00 36.85 C +ATOM 622 C ASN B 90 16.053 5.578 33.151 1.00 37.36 C +ATOM 623 O ASN B 90 16.135 6.764 33.482 1.00 36.96 O +ATOM 624 CB ASN B 90 15.499 3.232 34.049 1.00 37.03 C +ATOM 625 CG ASN B 90 14.016 3.538 34.249 1.00 37.46 C +ATOM 626 OD1 ASN B 90 13.575 4.687 34.225 1.00 38.05 O +ATOM 627 ND2 ASN B 90 13.235 2.482 34.436 1.00 38.35 N +ATOM 628 N GLY B 91 15.672 5.186 31.939 1.00 37.95 N +ATOM 629 CA GLY B 91 15.304 6.133 30.886 1.00 39.02 C +ATOM 630 C GLY B 91 14.070 6.955 31.212 1.00 39.66 C +ATOM 631 O GLY B 91 13.962 8.110 30.796 1.00 40.09 O +ATOM 632 N LYS B 92 13.139 6.359 31.957 1.00 40.09 N +ATOM 633 CA LYS B 92 11.902 7.032 32.355 1.00 40.33 C +ATOM 634 C LYS B 92 12.147 8.081 33.443 1.00 40.45 C +ATOM 635 O LYS B 92 11.322 8.974 33.651 1.00 40.78 O +ATOM 636 CB LYS B 92 10.864 6.013 32.811 1.00 40.57 C +ATOM 637 N GLY B 93 13.277 7.960 34.136 1.00 40.17 N +ATOM 638 CA GLY B 93 13.668 8.923 35.154 1.00 39.83 C +ATOM 639 C GLY B 93 14.131 8.269 36.440 1.00 39.51 C +ATOM 640 O GLY B 93 14.366 7.058 36.489 1.00 39.18 O +ATOM 641 N LEU B 94 14.269 9.087 37.478 1.00 39.39 N +ATOM 642 CA LEU B 94 14.659 8.609 38.791 1.00 39.46 C +ATOM 643 C LEU B 94 13.431 8.012 39.466 1.00 39.58 C +ATOM 644 O LEU B 94 12.357 8.623 39.479 1.00 39.62 O +ATOM 645 CB LEU B 94 15.251 9.749 39.632 1.00 39.42 C +ATOM 646 CG LEU B 94 15.918 9.419 40.974 1.00 39.05 C +ATOM 647 CD1 LEU B 94 17.095 8.454 40.822 1.00 38.45 C +ATOM 648 CD2 LEU B 94 16.382 10.712 41.646 1.00 39.82 C +ATOM 649 N GLY B 95 13.587 6.807 39.998 1.00 39.37 N +ATOM 650 CA GLY B 95 12.497 6.140 40.690 1.00 39.44 C +ATOM 651 C GLY B 95 12.364 6.636 42.115 1.00 39.41 C +ATOM 652 O GLY B 95 13.143 7.479 42.567 1.00 39.10 O +ATOM 653 N GLU B 96 11.368 6.108 42.821 1.00 39.68 N +ATOM 654 CA GLU B 96 11.134 6.457 44.215 1.00 39.75 C +ATOM 655 C GLU B 96 12.311 6.024 45.076 1.00 39.93 C +ATOM 656 O GLU B 96 12.944 4.998 44.816 1.00 39.61 O +ATOM 657 CB GLU B 96 9.844 5.823 44.715 1.00 40.07 C +ATOM 658 N ILE B 97 12.620 6.836 46.084 1.00 40.06 N +ATOM 659 CA ILE B 97 13.690 6.524 47.018 1.00 40.34 C +ATOM 660 C ILE B 97 13.201 5.419 47.968 1.00 40.10 C +ATOM 661 O ILE B 97 12.010 5.355 48.288 1.00 40.04 O +ATOM 662 CB ILE B 97 14.152 7.805 47.784 1.00 40.44 C +ATOM 663 CG1 ILE B 97 15.551 7.635 48.384 1.00 41.84 C +ATOM 664 CG2 ILE B 97 13.115 8.266 48.812 1.00 40.75 C +ATOM 665 CD1 ILE B 97 16.703 8.108 47.489 1.00 42.66 C +ATOM 666 N SER B 98 14.113 4.538 48.382 1.00 39.65 N +ATOM 667 CA SER B 98 13.787 3.454 49.309 1.00 38.97 C +ATOM 668 C SER B 98 13.526 3.988 50.708 1.00 39.12 C +ATOM 669 O SER B 98 13.781 5.166 51.004 1.00 38.87 O +ATOM 670 CB SER B 98 14.939 2.443 49.387 1.00 38.93 C +ATOM 671 OG SER B 98 16.064 2.996 50.079 1.00 36.96 O +ATOM 672 N ALA B 99 13.020 3.108 51.568 1.00 38.96 N +ATOM 673 CA ALA B 99 12.937 3.397 52.986 1.00 39.06 C +ATOM 674 C ALA B 99 14.385 3.504 53.470 1.00 39.08 C +ATOM 675 O ALA B 99 15.304 2.939 52.856 1.00 38.75 O +ATOM 676 CB ALA B 99 12.190 2.284 53.717 1.00 39.28 C +ATOM 677 N ALA B 100 14.606 4.244 54.549 1.00 39.05 N +ATOM 678 CA ALA B 100 15.953 4.410 55.048 1.00 39.01 C +ATOM 679 C ALA B 100 16.361 3.252 55.959 1.00 39.41 C +ATOM 680 O ALA B 100 15.560 2.774 56.773 1.00 39.44 O +ATOM 681 CB ALA B 100 16.088 5.744 55.766 1.00 39.28 C +ATOM 682 N SER B 101 17.593 2.784 55.780 1.00 39.35 N +ATOM 683 CA SER B 101 18.185 1.776 56.651 1.00 39.87 C +ATOM 684 C SER B 101 19.128 2.507 57.582 1.00 39.77 C +ATOM 685 O SER B 101 19.745 3.488 57.194 1.00 39.81 O +ATOM 686 CB SER B 101 18.945 0.717 55.847 1.00 39.81 C +ATOM 687 OG SER B 101 18.039 -0.115 55.158 1.00 41.11 O +ATOM 688 N GLU B 102 19.232 2.035 58.812 1.00 39.35 N +ATOM 689 CA GLU B 102 20.083 2.674 59.803 1.00 39.86 C +ATOM 690 C GLU B 102 21.366 1.872 59.964 1.00 39.37 C +ATOM 691 O GLU B 102 21.341 0.637 59.973 1.00 39.40 O +ATOM 692 CB GLU B 102 19.342 2.752 61.149 1.00 39.95 C +ATOM 693 CG GLU B 102 20.182 3.234 62.337 1.00 41.66 C +ATOM 694 CD GLU B 102 19.514 3.014 63.688 1.00 41.88 C +ATOM 695 OE1 GLU B 102 18.263 3.000 63.764 1.00 46.96 O +ATOM 696 OE2 GLU B 102 20.241 2.852 64.693 1.00 45.03 O +ATOM 697 N PHE B 103 22.486 2.574 60.091 1.00 38.51 N +ATOM 698 CA PHE B 103 23.742 1.917 60.421 1.00 38.09 C +ATOM 699 C PHE B 103 24.599 2.849 61.260 1.00 37.14 C +ATOM 700 O PHE B 103 24.326 4.045 61.360 1.00 37.16 O +ATOM 701 CB PHE B 103 24.495 1.435 59.168 1.00 37.76 C +ATOM 702 CG PHE B 103 25.034 2.538 58.321 1.00 38.09 C +ATOM 703 CD1 PHE B 103 26.303 3.064 58.564 1.00 38.05 C +ATOM 704 CD2 PHE B 103 24.287 3.054 57.274 1.00 38.00 C +ATOM 705 CE1 PHE B 103 26.806 4.082 57.792 1.00 37.98 C +ATOM 706 CE2 PHE B 103 24.793 4.079 56.489 1.00 37.92 C +ATOM 707 CZ PHE B 103 26.057 4.593 56.746 1.00 39.03 C +ATOM 708 N LYS B 104 25.634 2.295 61.874 1.00 36.17 N +ATOM 709 CA LYS B 104 26.545 3.111 62.656 1.00 35.10 C +ATOM 710 C LYS B 104 27.964 2.780 62.236 1.00 35.04 C +ATOM 711 O LYS B 104 28.330 1.610 62.146 1.00 33.92 O +ATOM 712 CB LYS B 104 26.354 2.872 64.156 1.00 35.22 C +ATOM 713 CG LYS B 104 27.184 3.796 65.022 1.00 34.14 C +ATOM 714 CD LYS B 104 26.871 3.622 66.496 1.00 34.33 C +ATOM 715 CE LYS B 104 27.601 4.680 67.312 1.00 33.08 C +ATOM 716 NZ LYS B 104 27.420 4.496 68.777 1.00 33.67 N +ATOM 717 N THR B 105 28.760 3.815 61.977 1.00 34.55 N +ATOM 718 CA THR B 105 30.153 3.603 61.593 1.00 34.68 C +ATOM 719 C THR B 105 30.954 3.130 62.794 1.00 35.07 C +ATOM 720 O THR B 105 30.588 3.392 63.946 1.00 34.50 O +ATOM 721 CB THR B 105 30.807 4.869 61.005 1.00 34.63 C +ATOM 722 OG1 THR B 105 30.556 5.979 61.868 1.00 34.12 O +ATOM 723 CG2 THR B 105 30.260 5.167 59.600 1.00 34.15 C +ATOM 724 N GLN B 106 32.034 2.409 62.512 1.00 35.51 N +ATOM 725 CA GLN B 106 32.917 1.893 63.541 1.00 36.63 C +ATOM 726 C GLN B 106 33.839 3.008 64.036 1.00 36.87 C +ATOM 727 O GLN B 106 33.925 4.068 63.404 1.00 36.88 O +ATOM 728 CB GLN B 106 33.757 0.743 62.979 1.00 36.57 C +ATOM 729 CG GLN B 106 32.957 -0.456 62.487 1.00 37.34 C +ATOM 730 CD GLN B 106 33.836 -1.624 62.071 1.00 38.01 C +ATOM 731 OE1 GLN B 106 34.897 -1.870 62.657 1.00 40.22 O +ATOM 732 NE2 GLN B 106 33.388 -2.366 61.067 1.00 40.36 N +ATOM 733 N PRO B 107 34.506 2.792 65.188 1.00 37.36 N +ATOM 734 CA PRO B 107 35.546 3.733 65.592 1.00 37.61 C +ATOM 735 C PRO B 107 36.758 3.560 64.687 1.00 38.08 C +ATOM 736 O PRO B 107 36.892 2.522 64.028 1.00 38.05 O +ATOM 737 CB PRO B 107 35.899 3.286 67.020 1.00 37.76 C +ATOM 738 CG PRO B 107 34.807 2.358 67.434 1.00 37.54 C +ATOM 739 CD PRO B 107 34.324 1.723 66.185 1.00 37.26 C +ATOM 740 N VAL B 108 37.622 4.572 64.643 1.00 38.50 N +ATOM 741 CA VAL B 108 38.855 4.502 63.861 1.00 38.91 C +ATOM 742 C VAL B 108 39.696 3.332 64.366 1.00 38.98 C +ATOM 743 O VAL B 108 40.023 3.246 65.550 1.00 39.06 O +ATOM 744 CB VAL B 108 39.659 5.832 63.927 1.00 39.01 C +ATOM 745 CG1 VAL B 108 41.045 5.675 63.302 1.00 39.34 C +ATOM 746 CG2 VAL B 108 38.897 6.949 63.241 1.00 39.05 C Added: SwiftApps/modFTdock/input/indata/2e3v-3.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2e3v-3.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2e3v-3.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,748 @@ +ATOM 1 N SER C 8 16.793 -19.706 63.216 1.00 55.01 N +ATOM 2 CA SER C 8 18.051 -19.533 62.425 1.00 54.96 C +ATOM 3 C SER C 8 17.779 -19.036 61.004 1.00 54.83 C +ATOM 4 O SER C 8 18.405 -18.076 60.546 1.00 54.97 O +ATOM 5 CB SER C 8 18.852 -20.838 62.390 1.00 54.97 C +ATOM 6 OG SER C 8 18.090 -21.887 61.817 1.00 55.35 O +ATOM 7 N GLY C 9 16.854 -19.697 60.311 1.00 54.65 N +ATOM 8 CA GLY C 9 16.490 -19.315 58.948 1.00 54.01 C +ATOM 9 C GLY C 9 16.063 -20.473 58.062 1.00 53.73 C +ATOM 10 O GLY C 9 15.887 -21.595 58.543 1.00 53.63 O +ATOM 11 N PRO C 10 15.901 -20.208 56.750 1.00 53.46 N +ATOM 12 CA PRO C 10 15.465 -21.222 55.789 1.00 53.23 C +ATOM 13 C PRO C 10 16.578 -22.200 55.453 1.00 53.07 C +ATOM 14 O PRO C 10 17.756 -21.891 55.662 1.00 53.02 O +ATOM 15 CB PRO C 10 15.127 -20.409 54.529 1.00 53.38 C +ATOM 16 CG PRO C 10 15.292 -18.972 54.888 1.00 53.27 C +ATOM 17 CD PRO C 10 16.155 -18.911 56.098 1.00 53.54 C +ATOM 18 N SER C 11 16.211 -23.362 54.915 1.00 52.61 N +ATOM 19 CA SER C 11 17.204 -24.339 54.490 1.00 52.54 C +ATOM 20 C SER C 11 17.953 -23.788 53.278 1.00 52.34 C +ATOM 21 O SER C 11 17.458 -22.897 52.573 1.00 51.95 O +ATOM 22 CB SER C 11 16.561 -25.704 54.191 1.00 52.97 C +ATOM 23 OG SER C 11 15.731 -25.650 53.044 1.00 53.79 O +ATOM 24 N SER C 12 19.160 -24.292 53.059 1.00 51.91 N +ATOM 25 CA SER C 12 19.982 -23.823 51.958 1.00 51.84 C +ATOM 26 C SER C 12 19.347 -24.205 50.626 1.00 50.94 C +ATOM 27 O SER C 12 18.820 -25.308 50.486 1.00 51.41 O +ATOM 28 CB SER C 12 21.406 -24.376 52.069 1.00 51.96 C +ATOM 29 OG SER C 12 21.402 -25.792 52.142 1.00 54.02 O +ATOM 30 N PRO C 13 19.352 -23.276 49.656 1.00 50.19 N +ATOM 31 CA PRO C 13 18.856 -23.616 48.335 1.00 49.43 C +ATOM 32 C PRO C 13 19.699 -24.734 47.748 1.00 48.71 C +ATOM 33 O PRO C 13 20.851 -24.930 48.155 1.00 48.82 O +ATOM 34 CB PRO C 13 19.102 -22.330 47.532 1.00 49.32 C +ATOM 35 CG PRO C 13 19.126 -21.257 48.540 1.00 49.77 C +ATOM 36 CD PRO C 13 19.795 -21.874 49.725 1.00 49.97 C +ATOM 37 N SER C 14 19.133 -25.457 46.796 1.00 47.31 N +ATOM 38 CA SER C 14 19.882 -26.461 46.082 1.00 46.69 C +ATOM 39 C SER C 14 20.065 -25.980 44.649 1.00 46.28 C +ATOM 40 O SER C 14 19.086 -25.776 43.928 1.00 45.99 O +ATOM 41 CB SER C 14 19.142 -27.806 46.124 1.00 46.67 C +ATOM 42 OG SER C 14 19.628 -28.669 45.117 1.00 47.57 O +ATOM 43 N ILE C 15 21.318 -25.785 44.248 1.00 46.03 N +ATOM 44 CA ILE C 15 21.641 -25.372 42.883 1.00 46.25 C +ATOM 45 C ILE C 15 21.441 -26.584 41.980 1.00 46.06 C +ATOM 46 O ILE C 15 22.067 -27.630 42.190 1.00 45.62 O +ATOM 47 CB ILE C 15 23.083 -24.835 42.767 1.00 46.22 C +ATOM 48 CG1 ILE C 15 23.245 -23.571 43.624 1.00 46.74 C +ATOM 49 CG2 ILE C 15 23.433 -24.551 41.302 1.00 46.51 C +ATOM 50 CD1 ILE C 15 24.645 -22.947 43.592 1.00 46.62 C +ATOM 51 N ASP C 16 20.562 -26.426 40.987 1.00 45.86 N +ATOM 52 CA ASP C 16 20.159 -27.525 40.105 1.00 46.16 C +ATOM 53 C ASP C 16 20.623 -27.410 38.663 1.00 46.14 C +ATOM 54 O ASP C 16 20.804 -28.422 37.990 1.00 45.69 O +ATOM 55 CB ASP C 16 18.636 -27.673 40.137 1.00 46.38 C +ATOM 56 CG ASP C 16 18.117 -27.992 41.523 1.00 46.95 C +ATOM 57 OD1 ASP C 16 18.773 -28.780 42.232 1.00 46.27 O +ATOM 58 OD2 ASP C 16 17.058 -27.455 41.907 1.00 47.73 O +ATOM 59 N GLN C 17 20.794 -26.176 38.183 1.00 46.15 N +ATOM 60 CA GLN C 17 21.210 -25.940 36.802 1.00 46.53 C +ATOM 61 C GLN C 17 21.896 -24.575 36.706 1.00 46.72 C +ATOM 62 O GLN C 17 21.336 -23.562 37.128 1.00 47.13 O +ATOM 63 CB GLN C 17 19.998 -26.013 35.851 1.00 46.36 C +ATOM 64 CG GLN C 17 20.304 -25.747 34.374 1.00 45.88 C +ATOM 65 CD GLN C 17 19.097 -25.905 33.440 1.00 47.06 C +ATOM 66 OE1 GLN C 17 17.957 -26.091 33.873 1.00 47.36 O +ATOM 67 NE2 GLN C 17 19.356 -25.834 32.138 1.00 47.52 N +ATOM 68 N VAL C 18 23.124 -24.560 36.199 1.00 46.81 N +ATOM 69 CA VAL C 18 23.812 -23.297 35.940 1.00 47.19 C +ATOM 70 C VAL C 18 24.027 -23.178 34.439 1.00 47.52 C +ATOM 71 O VAL C 18 24.554 -24.099 33.808 1.00 47.64 O +ATOM 72 CB VAL C 18 25.172 -23.174 36.676 1.00 47.09 C +ATOM 73 CG1 VAL C 18 25.829 -21.815 36.367 1.00 47.54 C +ATOM 74 CG2 VAL C 18 24.988 -23.337 38.184 1.00 47.07 C +ATOM 75 N GLU C 19 23.573 -22.065 33.871 1.00 47.84 N +ATOM 76 CA GLU C 19 23.805 -21.762 32.469 1.00 48.06 C +ATOM 77 C GLU C 19 24.816 -20.624 32.377 1.00 48.17 C +ATOM 78 O GLU C 19 24.467 -19.450 32.568 1.00 47.95 O +ATOM 79 CB GLU C 19 22.498 -21.441 31.739 1.00 48.40 C +ATOM 80 CG GLU C 19 21.538 -22.637 31.637 1.00 49.91 C +ATOM 81 CD GLU C 19 22.130 -23.821 30.874 1.00 53.17 C +ATOM 82 OE1 GLU C 19 22.899 -23.586 29.913 1.00 54.89 O +ATOM 83 OE2 GLU C 19 21.819 -24.987 31.226 1.00 53.26 O +ATOM 84 N PRO C 20 26.090 -20.977 32.128 1.00 48.17 N +ATOM 85 CA PRO C 20 27.142 -19.983 32.064 1.00 48.06 C +ATOM 86 C PRO C 20 27.292 -19.372 30.682 1.00 48.06 C +ATOM 87 O PRO C 20 27.232 -20.074 29.673 1.00 47.55 O +ATOM 88 CB PRO C 20 28.404 -20.770 32.444 1.00 48.01 C +ATOM 89 CG PRO C 20 28.036 -22.223 32.378 1.00 48.81 C +ATOM 90 CD PRO C 20 26.612 -22.338 31.921 1.00 48.52 C +ATOM 91 N TYR C 21 27.454 -18.057 30.659 1.00 47.80 N +ATOM 92 CA TYR C 21 27.713 -17.323 29.437 1.00 48.13 C +ATOM 93 C TYR C 21 29.133 -16.799 29.583 1.00 47.68 C +ATOM 94 O TYR C 21 29.896 -17.349 30.374 1.00 47.77 O +ATOM 95 CB TYR C 21 26.664 -16.224 29.245 1.00 48.78 C +ATOM 96 CG TYR C 21 25.274 -16.811 29.135 1.00 50.05 C +ATOM 97 CD1 TYR C 21 24.746 -17.163 27.895 1.00 51.01 C +ATOM 98 CD2 TYR C 21 24.504 -17.059 30.274 1.00 51.16 C +ATOM 99 CE1 TYR C 21 23.476 -17.729 27.786 1.00 52.01 C +ATOM 100 CE2 TYR C 21 23.229 -17.629 30.176 1.00 51.56 C +ATOM 101 CZ TYR C 21 22.726 -17.956 28.927 1.00 51.33 C +ATOM 102 OH TYR C 21 21.472 -18.515 28.809 1.00 52.09 O +ATOM 103 N SER C 22 29.502 -15.762 28.843 1.00 46.97 N +ATOM 104 CA SER C 22 30.868 -15.255 28.912 1.00 46.59 C +ATOM 105 C SER C 22 31.182 -14.439 30.175 1.00 46.09 C +ATOM 106 O SER C 22 32.243 -14.611 30.771 1.00 45.94 O +ATOM 107 CB SER C 22 31.230 -14.478 27.640 1.00 46.56 C +ATOM 108 OG SER C 22 30.314 -13.427 27.391 1.00 47.34 O +ATOM 109 N SER C 23 30.260 -13.574 30.588 1.00 45.58 N +ATOM 110 CA SER C 23 30.492 -12.706 31.751 1.00 45.34 C +ATOM 111 C SER C 23 29.368 -12.801 32.777 1.00 44.98 C +ATOM 112 O SER C 23 29.335 -12.043 33.753 1.00 44.36 O +ATOM 113 CB SER C 23 30.669 -11.251 31.309 1.00 45.71 C +ATOM 114 OG SER C 23 29.440 -10.707 30.866 1.00 46.63 O +ATOM 115 N THR C 24 28.451 -13.737 32.541 1.00 44.61 N +ATOM 116 CA THR C 24 27.296 -13.932 33.400 1.00 44.69 C +ATOM 117 C THR C 24 26.999 -15.419 33.507 1.00 44.84 C +ATOM 118 O THR C 24 27.461 -16.221 32.682 1.00 44.42 O +ATOM 119 CB THR C 24 26.027 -13.215 32.852 1.00 44.74 C +ATOM 120 OG1 THR C 24 25.590 -13.861 31.649 1.00 45.02 O +ATOM 121 CG2 THR C 24 26.278 -11.718 32.578 1.00 44.95 C +ATOM 122 N ALA C 25 26.230 -15.777 34.527 1.00 44.88 N +ATOM 123 CA ALA C 25 25.780 -17.136 34.714 1.00 45.36 C +ATOM 124 C ALA C 25 24.402 -17.094 35.346 1.00 45.81 C +ATOM 125 O ALA C 25 24.167 -16.349 36.306 1.00 45.55 O +ATOM 126 CB ALA C 25 26.738 -17.913 35.584 1.00 45.36 C +ATOM 127 N GLN C 26 23.485 -17.865 34.777 1.00 45.78 N +ATOM 128 CA GLN C 26 22.157 -17.998 35.343 1.00 46.16 C +ATOM 129 C GLN C 26 22.204 -19.222 36.228 1.00 46.08 C +ATOM 130 O GLN C 26 22.565 -20.319 35.781 1.00 46.40 O +ATOM 131 CB GLN C 26 21.091 -18.121 34.249 1.00 46.18 C +ATOM 132 CG GLN C 26 20.962 -16.835 33.406 1.00 47.43 C +ATOM 133 CD GLN C 26 19.963 -16.941 32.254 1.00 47.44 C +ATOM 134 OE1 GLN C 26 20.005 -16.144 31.314 1.00 51.48 O +ATOM 135 NE2 GLN C 26 19.070 -17.917 32.321 1.00 49.32 N +ATOM 136 N VAL C 27 21.865 -19.021 37.495 1.00 45.80 N +ATOM 137 CA VAL C 27 21.894 -20.086 38.476 1.00 45.59 C +ATOM 138 C VAL C 27 20.467 -20.426 38.872 1.00 45.67 C +ATOM 139 O VAL C 27 19.775 -19.599 39.458 1.00 45.72 O +ATOM 140 CB VAL C 27 22.731 -19.679 39.718 1.00 45.64 C +ATOM 141 CG1 VAL C 27 22.737 -20.792 40.767 1.00 45.97 C +ATOM 142 CG2 VAL C 27 24.164 -19.314 39.302 1.00 44.86 C +ATOM 143 N GLN C 28 20.020 -21.627 38.503 1.00 45.30 N +ATOM 144 CA GLN C 28 18.702 -22.099 38.912 1.00 45.29 C +ATOM 145 C GLN C 28 18.809 -23.009 40.104 1.00 45.21 C +ATOM 146 O GLN C 28 19.668 -23.892 40.162 1.00 45.15 O +ATOM 147 CB GLN C 28 17.957 -22.800 37.787 1.00 45.01 C +ATOM 148 CG GLN C 28 17.049 -21.856 37.022 1.00 45.10 C +ATOM 149 CD GLN C 28 16.241 -22.569 35.978 1.00 43.52 C +ATOM 150 OE1 GLN C 28 16.787 -23.347 35.206 1.00 45.79 O +ATOM 151 NE2 GLN C 28 14.930 -22.316 35.946 1.00 41.43 N +ATOM 152 N PHE C 29 17.902 -22.799 41.042 1.00 44.88 N +ATOM 153 CA PHE C 29 17.938 -23.522 42.286 1.00 45.03 C +ATOM 154 C PHE C 29 16.535 -23.906 42.708 1.00 45.27 C +ATOM 155 O PHE C 29 15.549 -23.396 42.168 1.00 44.83 O +ATOM 156 CB PHE C 29 18.569 -22.611 43.364 1.00 44.39 C +ATOM 157 CG PHE C 29 17.775 -21.356 43.640 1.00 44.09 C +ATOM 158 CD1 PHE C 29 16.768 -21.355 44.605 1.00 43.91 C +ATOM 159 CD2 PHE C 29 18.032 -20.178 42.941 1.00 43.95 C +ATOM 160 CE1 PHE C 29 16.021 -20.210 44.846 1.00 43.95 C +ATOM 161 CE2 PHE C 29 17.292 -19.021 43.180 1.00 43.40 C +ATOM 162 CZ PHE C 29 16.285 -19.036 44.139 1.00 43.80 C +ATOM 163 N ASP C 30 16.450 -24.806 43.683 1.00 45.75 N +ATOM 164 CA ASP C 30 15.181 -25.086 44.317 1.00 46.27 C +ATOM 165 C ASP C 30 15.302 -24.718 45.790 1.00 46.45 C +ATOM 166 O ASP C 30 16.392 -24.779 46.371 1.00 46.23 O +ATOM 167 CB ASP C 30 14.715 -26.537 44.101 1.00 46.00 C +ATOM 168 CG ASP C 30 15.544 -27.554 44.859 1.00 47.17 C +ATOM 169 OD1 ASP C 30 16.420 -28.183 44.235 1.00 48.02 O +ATOM 170 OD2 ASP C 30 15.305 -27.750 46.071 1.00 48.27 O +ATOM 171 N GLU C 31 14.176 -24.316 46.363 1.00 46.91 N +ATOM 172 CA GLU C 31 14.069 -23.937 47.757 1.00 47.61 C +ATOM 173 C GLU C 31 12.718 -24.453 48.245 1.00 48.02 C +ATOM 174 O GLU C 31 11.721 -24.306 47.540 1.00 48.00 O +ATOM 175 CB GLU C 31 14.157 -22.411 47.894 1.00 47.34 C +ATOM 176 CG GLU C 31 13.965 -21.862 49.316 1.00 47.95 C +ATOM 177 CD GLU C 31 15.121 -22.172 50.262 1.00 49.54 C +ATOM 178 OE1 GLU C 31 16.157 -22.697 49.815 1.00 50.42 O +ATOM 179 OE2 GLU C 31 14.992 -21.890 51.470 1.00 50.68 O +ATOM 180 N PRO C 32 12.680 -25.079 49.435 1.00 48.82 N +ATOM 181 CA PRO C 32 11.412 -25.586 49.979 1.00 49.47 C +ATOM 182 C PRO C 32 10.322 -24.518 50.045 1.00 50.15 C +ATOM 183 O PRO C 32 10.620 -23.351 50.322 1.00 49.93 O +ATOM 184 CB PRO C 32 11.795 -26.031 51.390 1.00 49.34 C +ATOM 185 CG PRO C 32 13.219 -26.405 51.272 1.00 49.30 C +ATOM 186 CD PRO C 32 13.809 -25.383 50.332 1.00 48.89 C +ATOM 187 N GLU C 33 9.079 -24.919 49.772 1.00 50.78 N +ATOM 188 CA GLU C 33 7.931 -24.005 49.802 1.00 51.66 C +ATOM 189 C GLU C 33 7.709 -23.459 51.214 1.00 52.01 C +ATOM 190 O GLU C 33 7.795 -24.203 52.195 1.00 52.10 O +ATOM 191 CB GLU C 33 6.651 -24.678 49.271 1.00 51.69 C +ATOM 192 CG GLU C 33 6.711 -25.163 47.810 1.00 52.43 C +ATOM 193 CD GLU C 33 6.950 -24.051 46.792 1.00 54.39 C +ATOM 194 OE1 GLU C 33 6.579 -22.887 47.071 1.00 56.20 O +ATOM 195 OE2 GLU C 33 7.512 -24.343 45.705 1.00 53.70 O +ATOM 196 N ALA C 34 7.427 -22.160 51.296 1.00 52.49 N +ATOM 197 CA ALA C 34 7.231 -21.462 52.570 1.00 52.89 C +ATOM 198 C ALA C 34 6.060 -22.004 53.377 1.00 53.15 C +ATOM 199 O ALA C 34 4.985 -22.278 52.833 1.00 53.41 O +ATOM 200 CB ALA C 34 7.068 -19.965 52.335 1.00 52.96 C +ATOM 201 N THR C 35 6.288 -22.157 54.681 1.00 53.27 N +ATOM 202 CA THR C 35 5.295 -22.698 55.602 1.00 53.33 C +ATOM 203 C THR C 35 5.270 -21.854 56.879 1.00 53.05 C +ATOM 204 O THR C 35 6.263 -21.201 57.219 1.00 53.09 O +ATOM 205 CB THR C 35 5.615 -24.173 55.964 1.00 53.47 C +ATOM 206 OG1 THR C 35 6.126 -24.859 54.813 1.00 54.17 O +ATOM 207 CG2 THR C 35 4.372 -24.898 56.482 1.00 53.52 C +ATOM 208 N GLY C 36 4.126 -21.860 57.561 1.00 52.79 N +ATOM 209 CA GLY C 36 3.945 -21.153 58.830 1.00 52.33 C +ATOM 210 C GLY C 36 3.850 -19.641 58.734 1.00 51.98 C +ATOM 211 O GLY C 36 3.904 -18.946 59.753 1.00 52.17 O +ATOM 212 N GLY C 37 3.702 -19.133 57.512 1.00 51.54 N +ATOM 213 CA GLY C 37 3.635 -17.694 57.267 1.00 50.64 C +ATOM 214 C GLY C 37 4.998 -17.034 57.352 1.00 50.11 C +ATOM 215 O GLY C 37 5.101 -15.848 57.679 1.00 50.16 O +ATOM 216 N VAL C 38 6.045 -17.809 57.063 1.00 49.30 N +ATOM 217 CA VAL C 38 7.421 -17.314 57.078 1.00 48.38 C +ATOM 218 C VAL C 38 8.011 -17.469 55.669 1.00 47.59 C +ATOM 219 O VAL C 38 8.758 -18.417 55.403 1.00 47.77 O +ATOM 220 CB VAL C 38 8.303 -18.052 58.131 1.00 48.57 C +ATOM 221 CG1 VAL C 38 9.637 -17.331 58.315 1.00 48.45 C +ATOM 222 CG2 VAL C 38 7.590 -18.152 59.471 1.00 48.34 C +ATOM 223 N PRO C 39 7.679 -16.533 54.758 1.00 46.46 N +ATOM 224 CA PRO C 39 8.156 -16.678 53.388 1.00 45.45 C +ATOM 225 C PRO C 39 9.632 -16.322 53.264 1.00 44.18 C +ATOM 226 O PRO C 39 10.186 -15.676 54.156 1.00 43.90 O +ATOM 227 CB PRO C 39 7.303 -15.666 52.617 1.00 45.58 C +ATOM 228 CG PRO C 39 7.004 -14.603 53.609 1.00 46.06 C +ATOM 229 CD PRO C 39 6.886 -15.299 54.937 1.00 46.46 C +ATOM 230 N ILE C 40 10.261 -16.777 52.183 1.00 42.95 N +ATOM 231 CA ILE C 40 11.633 -16.397 51.876 1.00 41.63 C +ATOM 232 C ILE C 40 11.553 -14.928 51.479 1.00 40.74 C +ATOM 233 O ILE C 40 10.662 -14.531 50.728 1.00 40.79 O +ATOM 234 CB ILE C 40 12.240 -17.222 50.709 1.00 41.63 C +ATOM 235 CG1 ILE C 40 12.005 -18.730 50.882 1.00 41.99 C +ATOM 236 CG2 ILE C 40 13.739 -16.913 50.529 1.00 40.59 C +ATOM 237 CD1 ILE C 40 12.671 -19.352 52.099 1.00 44.14 C +ATOM 238 N LEU C 41 12.456 -14.116 52.009 1.00 39.72 N +ATOM 239 CA LEU C 41 12.447 -12.687 51.705 1.00 38.50 C +ATOM 240 C LEU C 41 13.462 -12.324 50.637 1.00 37.71 C +ATOM 241 O LEU C 41 13.159 -11.565 49.713 1.00 37.13 O +ATOM 242 CB LEU C 41 12.686 -11.863 52.970 1.00 38.35 C +ATOM 243 CG LEU C 41 11.667 -12.043 54.103 1.00 38.11 C +ATOM 244 CD1 LEU C 41 12.126 -11.265 55.321 1.00 38.37 C +ATOM 245 CD2 LEU C 41 10.275 -11.608 53.672 1.00 38.24 C +ATOM 246 N LYS C 42 14.664 -12.874 50.775 1.00 37.19 N +ATOM 247 CA LYS C 42 15.763 -12.593 49.860 1.00 37.00 C +ATOM 248 C LYS C 42 16.604 -13.841 49.658 1.00 37.12 C +ATOM 249 O LYS C 42 16.515 -14.793 50.438 1.00 36.88 O +ATOM 250 CB LYS C 42 16.674 -11.499 50.440 1.00 36.75 C +ATOM 251 CG LYS C 42 15.993 -10.172 50.793 1.00 36.86 C +ATOM 252 CD LYS C 42 15.508 -9.416 49.563 1.00 36.07 C +ATOM 253 CE LYS C 42 14.592 -8.260 49.960 1.00 36.48 C +ATOM 254 NZ LYS C 42 14.178 -7.442 48.788 1.00 35.46 N +ATOM 255 N TYR C 43 17.395 -13.827 48.588 1.00 37.00 N +ATOM 256 CA TYR C 43 18.442 -14.809 48.363 1.00 37.39 C +ATOM 257 C TYR C 43 19.775 -14.078 48.284 1.00 37.62 C +ATOM 258 O TYR C 43 19.846 -12.923 47.835 1.00 37.11 O +ATOM 259 CB TYR C 43 18.211 -15.590 47.072 1.00 37.72 C +ATOM 260 CG TYR C 43 17.025 -16.497 47.153 1.00 37.87 C +ATOM 261 CD1 TYR C 43 17.114 -17.726 47.811 1.00 37.33 C +ATOM 262 CD2 TYR C 43 15.804 -16.129 46.590 1.00 37.44 C +ATOM 263 CE1 TYR C 43 16.013 -18.565 47.907 1.00 38.70 C +ATOM 264 CE2 TYR C 43 14.694 -16.961 46.685 1.00 37.89 C +ATOM 265 CZ TYR C 43 14.811 -18.179 47.340 1.00 38.44 C +ATOM 266 OH TYR C 43 13.732 -19.017 47.431 1.00 37.72 O +ATOM 267 N LYS C 44 20.826 -14.742 48.747 1.00 37.72 N +ATOM 268 CA LYS C 44 22.172 -14.203 48.615 1.00 37.87 C +ATOM 269 C LYS C 44 23.008 -15.242 47.885 1.00 37.93 C +ATOM 270 O LYS C 44 23.017 -16.412 48.260 1.00 38.23 O +ATOM 271 CB LYS C 44 22.775 -13.862 49.981 1.00 37.81 C +ATOM 272 CG LYS C 44 24.138 -13.172 49.912 1.00 37.53 C +ATOM 273 CD LYS C 44 24.721 -12.932 51.299 1.00 38.27 C +ATOM 274 CE LYS C 44 26.045 -12.209 51.172 1.00 39.84 C +ATOM 275 NZ LYS C 44 26.685 -11.781 52.463 1.00 39.89 N +ATOM 276 N ALA C 45 23.659 -14.816 46.806 1.00 37.68 N +ATOM 277 CA ALA C 45 24.561 -15.677 46.060 1.00 36.92 C +ATOM 278 C ALA C 45 25.982 -15.269 46.398 1.00 37.25 C +ATOM 279 O ALA C 45 26.258 -14.088 46.624 1.00 36.55 O +ATOM 280 CB ALA C 45 24.329 -15.539 44.575 1.00 37.19 C +ATOM 281 N GLU C 46 26.874 -16.250 46.459 1.00 37.10 N +ATOM 282 CA GLU C 46 28.295 -15.984 46.638 1.00 37.74 C +ATOM 283 C GLU C 46 29.038 -16.772 45.575 1.00 36.91 C +ATOM 284 O GLU C 46 28.664 -17.903 45.261 1.00 36.87 O +ATOM 285 CB GLU C 46 28.783 -16.395 48.029 1.00 37.69 C +ATOM 286 CG GLU C 46 28.323 -15.492 49.169 1.00 39.08 C +ATOM 287 CD GLU C 46 28.949 -15.879 50.501 1.00 39.80 C +ATOM 288 OE1 GLU C 46 29.152 -17.084 50.739 1.00 41.96 O +ATOM 289 OE2 GLU C 46 29.245 -14.974 51.311 1.00 43.23 O +ATOM 290 N TRP C 47 30.068 -16.165 45.000 1.00 36.45 N +ATOM 291 CA TRP C 47 30.876 -16.841 43.994 1.00 35.98 C +ATOM 292 C TRP C 47 32.331 -16.430 44.096 1.00 36.35 C +ATOM 293 O TRP C 47 32.664 -15.326 44.560 1.00 36.30 O +ATOM 294 CB TRP C 47 30.329 -16.606 42.583 1.00 36.03 C +ATOM 295 CG TRP C 47 30.369 -15.178 42.178 1.00 35.65 C +ATOM 296 CD1 TRP C 47 31.328 -14.563 41.424 1.00 36.37 C +ATOM 297 CD2 TRP C 47 29.429 -14.166 42.542 1.00 35.00 C +ATOM 298 NE1 TRP C 47 31.031 -13.232 41.281 1.00 35.55 N +ATOM 299 CE2 TRP C 47 29.870 -12.961 41.959 1.00 35.77 C +ATOM 300 CE3 TRP C 47 28.242 -14.166 43.294 1.00 35.40 C +ATOM 301 CZ2 TRP C 47 29.171 -11.757 42.105 1.00 36.68 C +ATOM 302 CZ3 TRP C 47 27.547 -12.971 43.439 1.00 36.13 C +ATOM 303 CH2 TRP C 47 28.015 -11.783 42.847 1.00 35.85 C +ATOM 304 N ARG C 48 33.197 -17.324 43.646 1.00 36.23 N +ATOM 305 CA ARG C 48 34.628 -17.130 43.767 1.00 36.52 C +ATOM 306 C ARG C 48 35.313 -17.918 42.668 1.00 36.35 C +ATOM 307 O ARG C 48 35.060 -19.118 42.517 1.00 36.19 O +ATOM 308 CB ARG C 48 35.075 -17.653 45.134 1.00 36.56 C +ATOM 309 CG ARG C 48 36.513 -17.396 45.480 1.00 37.53 C +ATOM 310 CD ARG C 48 36.805 -17.839 46.900 1.00 39.37 C +ATOM 311 NE ARG C 48 36.686 -19.287 47.077 1.00 39.49 N +ATOM 312 CZ ARG C 48 37.005 -19.929 48.197 1.00 39.98 C +ATOM 313 NH1 ARG C 48 37.464 -19.258 49.248 1.00 40.18 N +ATOM 314 NH2 ARG C 48 36.869 -21.244 48.266 1.00 39.94 N +ATOM 315 N ALA C 49 36.165 -17.243 41.901 1.00 36.18 N +ATOM 316 CA ALA C 49 36.955 -17.902 40.863 1.00 36.31 C +ATOM 317 C ALA C 49 37.930 -18.869 41.518 1.00 36.51 C +ATOM 318 O ALA C 49 38.566 -18.534 42.522 1.00 36.44 O +ATOM 319 CB ALA C 49 37.706 -16.877 40.020 1.00 36.24 C +ATOM 320 N VAL C 50 38.030 -20.072 40.960 1.00 36.92 N +ATOM 321 CA VAL C 50 38.942 -21.092 41.478 1.00 37.24 C +ATOM 322 C VAL C 50 40.350 -20.511 41.527 1.00 37.40 C +ATOM 323 O VAL C 50 40.864 -20.022 40.520 1.00 37.60 O +ATOM 324 CB VAL C 50 38.882 -22.396 40.641 1.00 37.19 C +ATOM 325 CG1 VAL C 50 39.973 -23.368 41.061 1.00 37.26 C +ATOM 326 CG2 VAL C 50 37.511 -23.045 40.785 1.00 37.57 C +ATOM 327 N GLY C 51 40.946 -20.530 42.717 1.00 37.60 N +ATOM 328 CA GLY C 51 42.262 -19.933 42.938 1.00 37.54 C +ATOM 329 C GLY C 51 42.193 -18.667 43.777 1.00 37.71 C +ATOM 330 O GLY C 51 43.192 -18.261 44.376 1.00 37.54 O +ATOM 331 N GLU C 52 41.016 -18.039 43.808 1.00 37.75 N +ATOM 332 CA GLU C 52 40.787 -16.835 44.613 1.00 38.03 C +ATOM 333 C GLU C 52 40.404 -17.204 46.044 1.00 37.96 C +ATOM 334 O GLU C 52 39.990 -18.332 46.311 1.00 37.86 O +ATOM 335 CB GLU C 52 39.691 -15.960 43.993 1.00 38.10 C +ATOM 336 CG GLU C 52 40.021 -15.361 42.622 1.00 39.38 C +ATOM 337 CD GLU C 52 41.058 -14.245 42.673 1.00 41.38 C +ATOM 338 OE1 GLU C 52 41.737 -14.027 41.645 1.00 42.45 O +ATOM 339 OE2 GLU C 52 41.202 -13.582 43.729 1.00 42.25 O +ATOM 340 N GLU C 53 40.544 -16.249 46.960 1.00 38.12 N +ATOM 341 CA GLU C 53 40.191 -16.471 48.361 1.00 38.39 C +ATOM 342 C GLU C 53 38.928 -15.703 48.756 1.00 38.16 C +ATOM 343 O GLU C 53 38.150 -16.160 49.596 1.00 38.32 O +ATOM 344 CB GLU C 53 41.360 -16.092 49.280 1.00 38.63 C +ATOM 345 CG GLU C 53 41.158 -16.457 50.754 1.00 40.04 C +ATOM 346 CD GLU C 53 41.050 -17.957 50.992 1.00 41.65 C +ATOM 347 OE1 GLU C 53 41.970 -18.702 50.587 1.00 42.62 O +ATOM 348 OE2 GLU C 53 40.050 -18.391 51.603 1.00 42.72 O +ATOM 349 N VAL C 54 38.729 -14.544 48.139 1.00 37.94 N +ATOM 350 CA VAL C 54 37.593 -13.686 48.453 1.00 37.67 C +ATOM 351 C VAL C 54 36.338 -14.107 47.692 1.00 37.57 C +ATOM 352 O VAL C 54 36.372 -14.278 46.470 1.00 37.67 O +ATOM 353 CB VAL C 54 37.914 -12.196 48.162 1.00 37.74 C +ATOM 354 CG1 VAL C 54 36.726 -11.305 48.495 1.00 37.78 C +ATOM 355 CG2 VAL C 54 39.137 -11.750 48.945 1.00 37.74 C +ATOM 356 N TRP C 55 35.241 -14.295 48.427 1.00 36.97 N +ATOM 357 CA TRP C 55 33.949 -14.569 47.817 1.00 36.69 C +ATOM 358 C TRP C 55 33.278 -13.257 47.460 1.00 36.68 C +ATOM 359 O TRP C 55 33.232 -12.330 48.276 1.00 36.78 O +ATOM 360 CB TRP C 55 33.030 -15.340 48.773 1.00 36.69 C +ATOM 361 CG TRP C 55 33.441 -16.743 49.008 1.00 36.21 C +ATOM 362 CD1 TRP C 55 34.326 -17.194 49.947 1.00 36.48 C +ATOM 363 CD2 TRP C 55 32.985 -17.894 48.299 1.00 36.31 C +ATOM 364 NE1 TRP C 55 34.449 -18.557 49.864 1.00 35.73 N +ATOM 365 CE2 TRP C 55 33.635 -19.014 48.861 1.00 36.45 C +ATOM 366 CE3 TRP C 55 32.085 -18.092 47.240 1.00 36.17 C +ATOM 367 CZ2 TRP C 55 33.418 -20.314 48.400 1.00 36.40 C +ATOM 368 CZ3 TRP C 55 31.868 -19.388 46.785 1.00 36.23 C +ATOM 369 CH2 TRP C 55 32.537 -20.479 47.360 1.00 36.17 C +ATOM 370 N HIS C 56 32.775 -13.163 46.237 1.00 36.12 N +ATOM 371 CA HIS C 56 31.945 -12.037 45.879 1.00 36.44 C +ATOM 372 C HIS C 56 30.520 -12.415 46.252 1.00 36.20 C +ATOM 373 O HIS C 56 30.219 -13.598 46.448 1.00 36.01 O +ATOM 374 CB HIS C 56 32.081 -11.685 44.397 1.00 36.75 C +ATOM 375 CG HIS C 56 33.435 -11.159 44.032 1.00 38.99 C +ATOM 376 ND1 HIS C 56 34.238 -11.761 43.088 1.00 42.02 N +ATOM 377 CD2 HIS C 56 34.143 -10.112 44.513 1.00 40.43 C +ATOM 378 CE1 HIS C 56 35.371 -11.091 42.984 1.00 41.22 C +ATOM 379 NE2 HIS C 56 35.339 -10.087 43.840 1.00 41.75 N +ATOM 380 N SER C 57 29.647 -11.428 46.390 1.00 35.89 N +ATOM 381 CA SER C 57 28.267 -11.732 46.744 1.00 36.15 C +ATOM 382 C SER C 57 27.292 -10.738 46.151 1.00 36.25 C +ATOM 383 O SER C 57 27.664 -9.616 45.807 1.00 35.31 O +ATOM 384 CB SER C 57 28.099 -11.758 48.264 1.00 35.95 C +ATOM 385 OG SER C 57 28.192 -10.446 48.789 1.00 36.18 O +ATOM 386 N LYS C 58 26.037 -11.162 46.052 1.00 36.33 N +ATOM 387 CA LYS C 58 24.967 -10.290 45.600 1.00 36.59 C +ATOM 388 C LYS C 58 23.657 -10.766 46.199 1.00 36.22 C +ATOM 389 O LYS C 58 23.429 -11.965 46.361 1.00 36.44 O +ATOM 390 CB LYS C 58 24.866 -10.268 44.068 1.00 36.58 C +ATOM 391 CG LYS C 58 23.811 -9.305 43.521 1.00 37.11 C +ATOM 392 CD LYS C 58 23.977 -9.092 42.026 1.00 38.03 C +ATOM 393 CE LYS C 58 22.933 -8.129 41.496 1.00 39.28 C +ATOM 394 NZ LYS C 58 23.187 -7.780 40.067 1.00 39.37 N +ATOM 395 N TRP C 59 22.804 -9.804 46.518 1.00 35.69 N +ATOM 396 CA TRP C 59 21.489 -10.085 47.047 1.00 35.85 C +ATOM 397 C TRP C 59 20.424 -10.025 45.956 1.00 35.56 C +ATOM 398 O TRP C 59 20.520 -9.225 45.014 1.00 34.94 O +ATOM 399 CB TRP C 59 21.162 -9.086 48.136 1.00 35.37 C +ATOM 400 CG TRP C 59 21.912 -9.315 49.400 1.00 35.65 C +ATOM 401 CD1 TRP C 59 23.147 -8.830 49.725 1.00 36.21 C +ATOM 402 CD2 TRP C 59 21.464 -10.063 50.530 1.00 35.72 C +ATOM 403 NE1 TRP C 59 23.495 -9.233 50.990 1.00 35.22 N +ATOM 404 CE2 TRP C 59 22.482 -9.996 51.506 1.00 36.58 C +ATOM 405 CE3 TRP C 59 20.297 -10.790 50.814 1.00 36.98 C +ATOM 406 CZ2 TRP C 59 22.370 -10.625 52.750 1.00 36.82 C +ATOM 407 CZ3 TRP C 59 20.189 -11.424 52.048 1.00 35.88 C +ATOM 408 CH2 TRP C 59 21.222 -11.335 52.998 1.00 36.45 C +ATOM 409 N TYR C 60 19.394 -10.849 46.129 1.00 36.20 N +ATOM 410 CA TYR C 60 18.297 -10.970 45.179 1.00 36.66 C +ATOM 411 C TYR C 60 16.962 -11.029 45.890 1.00 36.88 C +ATOM 412 O TYR C 60 16.829 -11.700 46.911 1.00 37.45 O +ATOM 413 CB TYR C 60 18.465 -12.245 44.350 1.00 36.31 C +ATOM 414 CG TYR C 60 19.778 -12.300 43.605 1.00 36.78 C +ATOM 415 CD1 TYR C 60 19.877 -11.861 42.284 1.00 35.59 C +ATOM 416 CD2 TYR C 60 20.924 -12.804 44.225 1.00 36.06 C +ATOM 417 CE1 TYR C 60 21.102 -11.908 41.602 1.00 36.37 C +ATOM 418 CE2 TYR C 60 22.133 -12.854 43.563 1.00 36.11 C +ATOM 419 CZ TYR C 60 22.217 -12.412 42.257 1.00 36.50 C +ATOM 420 OH TYR C 60 23.420 -12.490 41.618 1.00 37.48 O +ATOM 421 N ASP C 61 15.973 -10.327 45.350 1.00 36.56 N +ATOM 422 CA ASP C 61 14.645 -10.360 45.930 1.00 36.99 C +ATOM 423 C ASP C 61 14.050 -11.756 45.703 1.00 36.93 C +ATOM 424 O ASP C 61 14.136 -12.299 44.596 1.00 36.21 O +ATOM 425 CB ASP C 61 13.759 -9.290 45.303 1.00 36.79 C +ATOM 426 CG ASP C 61 12.409 -9.201 45.970 1.00 38.14 C +ATOM 427 OD1 ASP C 61 12.354 -8.822 47.161 1.00 37.67 O +ATOM 428 OD2 ASP C 61 11.405 -9.528 45.301 1.00 38.57 O +ATOM 429 N ALA C 62 13.471 -12.337 46.755 1.00 37.86 N +ATOM 430 CA ALA C 62 12.891 -13.676 46.669 1.00 38.69 C +ATOM 431 C ALA C 62 11.711 -13.747 45.708 1.00 39.68 C +ATOM 432 O ALA C 62 11.602 -14.701 44.927 1.00 39.82 O +ATOM 433 CB ALA C 62 12.487 -14.191 48.045 1.00 38.73 C +ATOM 434 N LYS C 63 10.823 -12.753 45.775 1.00 40.35 N +ATOM 435 CA LYS C 63 9.659 -12.693 44.891 1.00 41.48 C +ATOM 436 C LYS C 63 10.101 -12.768 43.428 1.00 41.70 C +ATOM 437 O LYS C 63 9.605 -13.598 42.668 1.00 41.79 O +ATOM 438 CB LYS C 63 8.829 -11.425 45.155 1.00 41.89 C +ATOM 439 CG LYS C 63 7.575 -11.249 44.268 1.00 43.05 C +ATOM 440 CD LYS C 63 6.396 -12.136 44.691 1.00 45.87 C +ATOM 441 CE LYS C 63 5.718 -11.638 45.966 1.00 46.94 C +ATOM 442 NZ LYS C 63 4.525 -12.463 46.325 1.00 47.58 N +ATOM 443 N GLU C 64 11.056 -11.925 43.049 1.00 42.17 N +ATOM 444 CA GLU C 64 11.570 -11.909 41.677 1.00 42.92 C +ATOM 445 C GLU C 64 12.245 -13.235 41.308 1.00 41.95 C +ATOM 446 O GLU C 64 12.022 -13.778 40.222 1.00 42.14 O +ATOM 447 CB GLU C 64 12.544 -10.739 41.474 1.00 43.05 C +ATOM 448 CG GLU C 64 13.035 -10.614 40.031 1.00 44.94 C +ATOM 449 CD GLU C 64 14.144 -9.606 39.845 1.00 45.66 C +ATOM 450 OE1 GLU C 64 14.435 -8.823 40.784 1.00 50.71 O +ATOM 451 OE2 GLU C 64 14.730 -9.592 38.742 1.00 48.90 O +ATOM 452 N ALA C 65 13.057 -13.758 42.221 1.00 40.76 N +ATOM 453 CA ALA C 65 13.754 -15.011 41.985 1.00 39.89 C +ATOM 454 C ALA C 65 12.825 -16.238 41.978 1.00 39.08 C +ATOM 455 O ALA C 65 13.169 -17.240 41.377 1.00 38.54 O +ATOM 456 CB ALA C 65 14.866 -15.207 43.006 1.00 39.90 C +ATOM 457 N SER C 66 11.660 -16.139 42.620 1.00 38.60 N +ATOM 458 CA SER C 66 10.754 -17.285 42.795 1.00 38.31 C +ATOM 459 C SER C 66 10.065 -17.788 41.529 1.00 38.34 C +ATOM 460 O SER C 66 9.757 -18.974 41.437 1.00 37.61 O +ATOM 461 CB SER C 66 9.699 -17.012 43.879 1.00 38.32 C +ATOM 462 OG ASER C 66 8.769 -16.025 43.469 0.50 37.92 O +ATOM 463 OG BSER C 66 10.308 -16.854 45.149 0.50 39.08 O +ATOM 472 N GLU C 68 11.127 -18.388 38.532 1.00 37.71 N +ATOM 473 CA GLU C 68 11.899 -19.432 37.868 1.00 37.20 C +ATOM 474 C GLU C 68 12.988 -20.046 38.750 1.00 37.02 C +ATOM 475 O GLU C 68 13.752 -20.900 38.295 1.00 36.28 O +ATOM 476 CB GLU C 68 12.495 -18.887 36.572 1.00 37.26 C +ATOM 477 CG GLU C 68 11.456 -18.652 35.499 1.00 36.64 C +ATOM 478 CD GLU C 68 12.080 -18.272 34.189 1.00 37.54 C +ATOM 479 OE1 GLU C 68 12.709 -17.196 34.122 1.00 37.35 O +ATOM 480 OE2 GLU C 68 11.937 -19.045 33.228 1.00 37.04 O +ATOM 481 N GLY C 69 13.020 -19.626 40.012 1.00 36.84 N +ATOM 482 CA GLY C 69 14.019 -20.090 40.974 1.00 38.03 C +ATOM 483 C GLY C 69 15.389 -19.787 40.410 1.00 38.57 C +ATOM 484 O GLY C 69 16.243 -20.671 40.351 1.00 38.58 O +ATOM 485 N ILE C 70 15.571 -18.550 39.940 1.00 38.92 N +ATOM 486 CA ILE C 70 16.805 -18.145 39.281 1.00 40.33 C +ATOM 487 C ILE C 70 17.402 -16.901 39.905 1.00 39.51 C +ATOM 488 O ILE C 70 16.679 -15.974 40.300 1.00 39.11 O +ATOM 489 CB ILE C 70 16.606 -17.748 37.775 1.00 40.26 C +ATOM 490 CG1 ILE C 70 16.127 -18.900 36.911 1.00 42.22 C +ATOM 491 CG2 ILE C 70 17.918 -17.239 37.165 1.00 42.65 C +ATOM 492 CD1 ILE C 70 16.090 -18.536 35.424 1.00 41.52 C +ATOM 493 N VAL C 71 18.727 -16.894 39.976 1.00 39.47 N +ATOM 494 CA VAL C 71 19.490 -15.661 40.229 1.00 39.08 C +ATOM 495 C VAL C 71 20.561 -15.623 39.148 1.00 39.20 C +ATOM 496 O VAL C 71 21.083 -16.677 38.744 1.00 39.42 O +ATOM 497 CB VAL C 71 20.121 -15.591 41.643 1.00 38.77 C +ATOM 498 CG1 VAL C 71 19.036 -15.580 42.720 1.00 38.77 C +ATOM 499 CG2 VAL C 71 21.102 -16.728 41.876 1.00 39.72 C +ATOM 500 N THR C 72 20.844 -14.430 38.638 1.00 39.17 N +ATOM 501 CA THR C 72 21.853 -14.244 37.608 1.00 39.33 C +ATOM 502 C THR C 72 23.072 -13.526 38.196 1.00 39.58 C +ATOM 503 O THR C 72 22.951 -12.479 38.847 1.00 38.92 O +ATOM 504 CB THR C 72 21.284 -13.475 36.394 1.00 39.58 C +ATOM 505 OG1 THR C 72 20.198 -14.233 35.834 1.00 39.93 O +ATOM 506 CG2 THR C 72 22.356 -13.256 35.320 1.00 39.51 C +ATOM 507 N ILE C 73 24.237 -14.130 37.992 1.00 39.53 N +ATOM 508 CA ILE C 73 25.488 -13.555 38.445 1.00 40.05 C +ATOM 509 C ILE C 73 26.121 -12.852 37.250 1.00 40.37 C +ATOM 510 O ILE C 73 26.169 -13.415 36.156 1.00 39.96 O +ATOM 511 CB ILE C 73 26.425 -14.639 39.009 1.00 40.31 C +ATOM 512 CG1 ILE C 73 25.809 -15.260 40.270 1.00 40.85 C +ATOM 513 CG2 ILE C 73 27.780 -14.038 39.342 1.00 40.98 C +ATOM 514 CD1 ILE C 73 26.531 -16.486 40.782 1.00 41.60 C +ATOM 515 N VAL C 74 26.585 -11.621 37.459 1.00 39.92 N +ATOM 516 CA VAL C 74 27.170 -10.829 36.388 1.00 40.22 C +ATOM 517 C VAL C 74 28.578 -10.352 36.749 1.00 40.06 C +ATOM 518 O VAL C 74 29.021 -10.495 37.891 1.00 40.18 O +ATOM 519 CB VAL C 74 26.266 -9.611 36.001 1.00 40.32 C +ATOM 520 CG1 VAL C 74 24.843 -10.075 35.664 1.00 39.90 C +ATOM 521 CG2 VAL C 74 26.239 -8.549 37.115 1.00 40.19 C +ATOM 522 N GLY C 75 29.269 -9.796 35.763 1.00 39.88 N +ATOM 523 CA GLY C 75 30.602 -9.226 35.959 1.00 39.71 C +ATOM 524 C GLY C 75 31.684 -10.275 36.097 1.00 39.55 C +ATOM 525 O GLY C 75 32.738 -10.015 36.685 1.00 39.29 O +ATOM 526 N LEU C 76 31.424 -11.457 35.541 1.00 38.87 N +ATOM 527 CA LEU C 76 32.366 -12.567 35.598 1.00 39.16 C +ATOM 528 C LEU C 76 33.405 -12.475 34.501 1.00 39.17 C +ATOM 529 O LEU C 76 33.186 -11.830 33.476 1.00 38.97 O +ATOM 530 CB LEU C 76 31.633 -13.908 35.482 1.00 39.07 C +ATOM 531 CG LEU C 76 30.541 -14.168 36.516 1.00 39.70 C +ATOM 532 CD1 LEU C 76 29.903 -15.507 36.253 1.00 38.85 C +ATOM 533 CD2 LEU C 76 31.095 -14.096 37.939 1.00 40.85 C +ATOM 534 N LYS C 77 34.538 -13.127 34.732 1.00 39.25 N +ATOM 535 CA LYS C 77 35.610 -13.175 33.754 1.00 39.66 C +ATOM 536 C LYS C 77 35.377 -14.372 32.835 1.00 39.41 C +ATOM 537 O LYS C 77 34.938 -15.429 33.299 1.00 39.40 O +ATOM 538 CB LYS C 77 36.969 -13.263 34.450 1.00 39.95 C +ATOM 539 CG LYS C 77 37.221 -12.117 35.431 1.00 41.63 C +ATOM 540 CD LYS C 77 38.697 -11.924 35.754 1.00 44.87 C +ATOM 541 CE LYS C 77 39.303 -13.118 36.474 1.00 46.20 C +ATOM 542 NZ LYS C 77 40.715 -12.815 36.855 1.00 47.87 N +ATOM 543 N PRO C 78 35.650 -14.207 31.524 1.00 39.27 N +ATOM 544 CA PRO C 78 35.442 -15.280 30.547 1.00 38.97 C +ATOM 545 C PRO C 78 36.391 -16.460 30.765 1.00 38.73 C +ATOM 546 O PRO C 78 37.441 -16.295 31.386 1.00 38.73 O +ATOM 547 CB PRO C 78 35.757 -14.602 29.202 1.00 39.01 C +ATOM 548 CG PRO C 78 35.749 -13.140 29.474 1.00 39.34 C +ATOM 549 CD PRO C 78 36.181 -12.987 30.888 1.00 39.31 C +ATOM 550 N GLU C 79 36.007 -17.635 30.262 1.00 38.44 N +ATOM 551 CA GLU C 79 36.825 -18.857 30.346 1.00 38.25 C +ATOM 552 C GLU C 79 37.442 -19.063 31.732 1.00 38.00 C +ATOM 553 O GLU C 79 38.628 -19.369 31.867 1.00 37.94 O +ATOM 554 CB GLU C 79 37.908 -18.852 29.252 1.00 38.22 C +ATOM 555 N THR C 80 36.616 -18.896 32.758 1.00 37.79 N +ATOM 556 CA THR C 80 37.068 -18.971 34.136 1.00 37.66 C +ATOM 557 C THR C 80 36.145 -19.890 34.911 1.00 37.67 C +ATOM 558 O THR C 80 34.923 -19.820 34.765 1.00 37.79 O +ATOM 559 CB THR C 80 37.088 -17.554 34.787 1.00 37.77 C +ATOM 560 OG1 THR C 80 37.900 -16.680 33.995 1.00 38.16 O +ATOM 561 CG2 THR C 80 37.640 -17.589 36.213 1.00 37.77 C +ATOM 562 N THR C 81 36.733 -20.762 35.723 1.00 37.51 N +ATOM 563 CA THR C 81 35.951 -21.641 36.576 1.00 37.20 C +ATOM 564 C THR C 81 35.641 -20.926 37.890 1.00 37.14 C +ATOM 565 O THR C 81 36.525 -20.325 38.507 1.00 36.97 O +ATOM 566 CB THR C 81 36.667 -22.975 36.838 1.00 37.20 C +ATOM 567 OG1 THR C 81 37.059 -23.556 35.591 1.00 36.84 O +ATOM 568 CG2 THR C 81 35.746 -23.938 37.551 1.00 37.40 C +ATOM 569 N TYR C 82 34.377 -20.989 38.295 1.00 36.91 N +ATOM 570 CA TYR C 82 33.905 -20.366 39.522 1.00 36.88 C +ATOM 571 C TYR C 82 33.189 -21.360 40.422 1.00 37.01 C +ATOM 572 O TYR C 82 32.533 -22.288 39.949 1.00 36.72 O +ATOM 573 CB TYR C 82 32.896 -19.264 39.205 1.00 37.17 C +ATOM 574 CG TYR C 82 33.471 -18.014 38.610 1.00 37.24 C +ATOM 575 CD1 TYR C 82 33.869 -16.950 39.423 1.00 36.79 C +ATOM 576 CD2 TYR C 82 33.592 -17.879 37.234 1.00 36.94 C +ATOM 577 CE1 TYR C 82 34.397 -15.791 38.872 1.00 36.78 C +ATOM 578 CE2 TYR C 82 34.111 -16.738 36.677 1.00 36.88 C +ATOM 579 CZ TYR C 82 34.511 -15.696 37.498 1.00 37.05 C +ATOM 580 OH TYR C 82 35.020 -14.569 36.927 1.00 37.73 O +ATOM 581 N ALA C 83 33.316 -21.143 41.726 1.00 36.82 N +ATOM 582 CA ALA C 83 32.514 -21.853 42.697 1.00 36.68 C +ATOM 583 C ALA C 83 31.359 -20.903 42.989 1.00 36.72 C +ATOM 584 O ALA C 83 31.552 -19.693 43.036 1.00 36.14 O +ATOM 585 CB ALA C 83 33.311 -22.136 43.952 1.00 36.47 C +ATOM 586 N VAL C 84 30.158 -21.444 43.156 1.00 36.86 N +ATOM 587 CA VAL C 84 28.996 -20.619 43.486 1.00 36.82 C +ATOM 588 C VAL C 84 28.169 -21.329 44.545 1.00 36.84 C +ATOM 589 O VAL C 84 28.066 -22.558 44.548 1.00 36.44 O +ATOM 590 CB VAL C 84 28.138 -20.244 42.235 1.00 36.80 C +ATOM 591 CG1 VAL C 84 27.651 -21.492 41.489 1.00 37.39 C +ATOM 592 CG2 VAL C 84 26.948 -19.379 42.633 1.00 37.27 C +ATOM 593 N ARG C 85 27.612 -20.548 45.463 1.00 36.60 N +ATOM 594 CA ARG C 85 26.758 -21.083 46.514 1.00 36.41 C +ATOM 595 C ARG C 85 25.674 -20.058 46.829 1.00 36.72 C +ATOM 596 O ARG C 85 25.812 -18.875 46.489 1.00 36.78 O +ATOM 597 CB ARG C 85 27.581 -21.447 47.750 1.00 36.16 C +ATOM 598 CG ARG C 85 28.466 -20.320 48.265 1.00 35.72 C +ATOM 599 CD ARG C 85 29.366 -20.796 49.386 1.00 36.85 C +ATOM 600 NE ARG C 85 29.992 -19.664 50.065 1.00 37.00 N +ATOM 601 CZ ARG C 85 30.891 -19.770 51.037 1.00 38.13 C +ATOM 602 NH1 ARG C 85 31.281 -20.965 51.462 1.00 38.31 N +ATOM 603 NH2 ARG C 85 31.394 -18.675 51.587 1.00 38.42 N +ATOM 604 N LEU C 86 24.593 -20.516 47.456 1.00 36.76 N +ATOM 605 CA LEU C 86 23.446 -19.664 47.734 1.00 37.43 C +ATOM 606 C LEU C 86 22.929 -19.851 49.145 1.00 37.90 C +ATOM 607 O LEU C 86 23.061 -20.923 49.731 1.00 37.92 O +ATOM 608 CB LEU C 86 22.299 -19.970 46.759 1.00 37.98 C +ATOM 609 CG LEU C 86 22.539 -20.011 45.254 1.00 39.59 C +ATOM 610 CD1 LEU C 86 21.289 -20.516 44.548 1.00 41.06 C +ATOM 611 CD2 LEU C 86 22.949 -18.642 44.699 1.00 41.20 C +ATOM 612 N ALA C 87 22.354 -18.783 49.683 1.00 38.11 N +ATOM 613 CA ALA C 87 21.669 -18.820 50.959 1.00 38.45 C +ATOM 614 C ALA C 87 20.326 -18.116 50.776 1.00 38.66 C +ATOM 615 O ALA C 87 20.164 -17.302 49.865 1.00 38.47 O +ATOM 616 CB ALA C 87 22.502 -18.142 52.044 1.00 38.39 C +ATOM 617 N ALA C 88 19.361 -18.449 51.622 1.00 38.72 N +ATOM 618 CA ALA C 88 18.051 -17.810 51.587 1.00 39.15 C +ATOM 619 C ALA C 88 17.827 -17.049 52.886 1.00 39.55 C +ATOM 620 O ALA C 88 18.293 -17.470 53.941 1.00 39.84 O +ATOM 621 CB ALA C 88 16.960 -18.849 51.382 1.00 39.09 C +ATOM 622 N LEU C 89 17.115 -15.927 52.799 1.00 40.11 N +ATOM 623 CA LEU C 89 16.804 -15.091 53.959 1.00 40.66 C +ATOM 624 C LEU C 89 15.304 -15.062 54.226 1.00 41.06 C +ATOM 625 O LEU C 89 14.512 -14.835 53.311 1.00 41.00 O +ATOM 626 CB LEU C 89 17.297 -13.656 53.728 1.00 40.59 C +ATOM 627 CG LEU C 89 17.000 -12.589 54.793 1.00 40.48 C +ATOM 628 CD1 LEU C 89 17.903 -12.769 55.991 1.00 40.84 C +ATOM 629 CD2 LEU C 89 17.175 -11.173 54.236 1.00 40.80 C +ATOM 630 N ASN C 90 14.915 -15.303 55.476 1.00 41.67 N +ATOM 631 CA ASN C 90 13.518 -15.143 55.869 1.00 42.26 C +ATOM 632 C ASN C 90 13.416 -14.192 57.062 1.00 42.81 C +ATOM 633 O ASN C 90 14.391 -13.512 57.390 1.00 42.95 O +ATOM 634 CB ASN C 90 12.815 -16.498 56.108 1.00 42.28 C +ATOM 635 CG ASN C 90 13.327 -17.247 57.342 1.00 42.61 C +ATOM 636 OD1 ASN C 90 14.114 -16.730 58.137 1.00 42.98 O +ATOM 637 ND2 ASN C 90 12.863 -18.481 57.503 1.00 42.68 N +ATOM 638 N GLY C 91 12.245 -14.135 57.693 1.00 43.32 N +ATOM 639 CA GLY C 91 12.036 -13.282 58.862 1.00 44.07 C +ATOM 640 C GLY C 91 12.955 -13.647 60.015 1.00 44.60 C +ATOM 641 O GLY C 91 13.493 -12.766 60.689 1.00 44.88 O +ATOM 642 N LYS C 92 13.140 -14.950 60.226 1.00 44.97 N +ATOM 643 CA LYS C 92 13.992 -15.475 61.297 1.00 45.31 C +ATOM 644 C LYS C 92 15.490 -15.233 61.068 1.00 45.53 C +ATOM 645 O LYS C 92 16.291 -15.357 61.997 1.00 45.61 O +ATOM 646 CB LYS C 92 13.713 -16.965 61.512 1.00 45.30 C +ATOM 647 N GLY C 93 15.865 -14.896 59.834 1.00 45.86 N +ATOM 648 CA GLY C 93 17.259 -14.597 59.508 1.00 46.06 C +ATOM 649 C GLY C 93 17.799 -15.298 58.276 1.00 46.30 C +ATOM 650 O GLY C 93 17.047 -15.900 57.501 1.00 46.18 O +ATOM 651 N LEU C 94 19.113 -15.194 58.089 1.00 46.50 N +ATOM 652 CA LEU C 94 19.793 -15.820 56.961 1.00 46.69 C +ATOM 653 C LEU C 94 20.077 -17.281 57.289 1.00 46.79 C +ATOM 654 O LEU C 94 20.612 -17.597 58.357 1.00 46.74 O +ATOM 655 CB LEU C 94 21.090 -15.068 56.623 1.00 46.71 C +ATOM 656 CG LEU C 94 21.901 -15.453 55.377 1.00 46.82 C +ATOM 657 CD1 LEU C 94 21.125 -15.230 54.071 1.00 46.36 C +ATOM 658 CD2 LEU C 94 23.215 -14.685 55.347 1.00 46.85 C +ATOM 659 N GLY C 95 19.696 -18.164 56.371 1.00 46.80 N +ATOM 660 CA GLY C 95 19.912 -19.596 56.538 1.00 47.11 C +ATOM 661 C GLY C 95 21.301 -20.003 56.093 1.00 47.24 C +ATOM 662 O GLY C 95 22.072 -19.175 55.592 1.00 47.35 O +ATOM 663 N GLU C 96 21.616 -21.283 56.269 1.00 47.25 N +ATOM 664 CA GLU C 96 22.924 -21.819 55.904 1.00 47.51 C +ATOM 665 C GLU C 96 23.179 -21.698 54.403 1.00 47.75 C +ATOM 666 O GLU C 96 22.269 -21.887 53.591 1.00 47.44 O +ATOM 667 CB GLU C 96 23.049 -23.269 56.353 1.00 47.50 C +ATOM 668 N ILE C 97 24.418 -21.357 54.052 1.00 47.99 N +ATOM 669 CA ILE C 97 24.828 -21.276 52.657 1.00 48.45 C +ATOM 670 C ILE C 97 24.898 -22.708 52.115 1.00 48.37 C +ATOM 671 O ILE C 97 25.240 -23.638 52.847 1.00 48.45 O +ATOM 672 CB ILE C 97 26.191 -20.526 52.492 1.00 48.43 C +ATOM 673 CG1 ILE C 97 26.389 -20.037 51.055 1.00 49.25 C +ATOM 674 CG2 ILE C 97 27.376 -21.373 52.965 1.00 48.83 C +ATOM 675 CD1 ILE C 97 25.897 -18.628 50.782 1.00 50.30 C +ATOM 676 N SER C 98 24.550 -22.880 50.844 1.00 48.44 N +ATOM 677 CA SER C 98 24.570 -24.192 50.208 1.00 48.30 C +ATOM 678 C SER C 98 25.999 -24.646 49.966 1.00 48.42 C +ATOM 679 O SER C 98 26.940 -23.856 50.084 1.00 48.34 O +ATOM 680 CB SER C 98 23.833 -24.134 48.871 1.00 48.29 C +ATOM 681 OG SER C 98 24.562 -23.371 47.919 1.00 47.52 O +ATOM 682 N ALA C 99 26.154 -25.923 49.627 1.00 48.59 N +ATOM 683 CA ALA C 99 27.442 -26.456 49.210 1.00 48.69 C +ATOM 684 C ALA C 99 27.771 -25.766 47.890 1.00 48.68 C +ATOM 685 O ALA C 99 26.870 -25.314 47.182 1.00 48.86 O +ATOM 686 CB ALA C 99 27.368 -27.962 49.031 1.00 48.58 C +ATOM 687 N ALA C 100 29.053 -25.665 47.567 1.00 48.76 N +ATOM 688 CA ALA C 100 29.462 -24.955 46.366 1.00 48.90 C +ATOM 689 C ALA C 100 29.298 -25.793 45.106 1.00 48.98 C +ATOM 690 O ALA C 100 29.689 -26.963 45.065 1.00 48.94 O +ATOM 691 CB ALA C 100 30.896 -24.455 46.501 1.00 48.92 C +ATOM 692 N SER C 101 28.678 -25.190 44.097 1.00 49.07 N +ATOM 693 CA SER C 101 28.596 -25.781 42.771 1.00 49.14 C +ATOM 694 C SER C 101 29.675 -25.116 41.936 1.00 49.15 C +ATOM 695 O SER C 101 30.119 -24.012 42.252 1.00 49.40 O +ATOM 696 CB SER C 101 27.216 -25.566 42.151 1.00 49.12 C +ATOM 697 OG SER C 101 26.266 -26.436 42.739 1.00 49.54 O +ATOM 698 N GLU C 102 30.107 -25.785 40.877 1.00 48.91 N +ATOM 699 CA GLU C 102 31.171 -25.253 40.049 1.00 48.87 C +ATOM 700 C GLU C 102 30.705 -25.113 38.605 1.00 48.64 C +ATOM 701 O GLU C 102 30.020 -25.991 38.084 1.00 48.69 O +ATOM 702 CB GLU C 102 32.385 -26.173 40.132 1.00 48.96 C +ATOM 703 CG GLU C 102 33.705 -25.458 39.999 1.00 49.57 C +ATOM 704 CD GLU C 102 34.889 -26.352 40.298 1.00 50.24 C +ATOM 705 OE1 GLU C 102 35.483 -26.202 41.386 1.00 50.33 O +ATOM 706 OE2 GLU C 102 35.213 -27.217 39.457 1.00 51.05 O +ATOM 707 N PHE C 103 31.056 -23.994 37.978 1.00 48.36 N +ATOM 708 CA PHE C 103 30.755 -23.769 36.561 1.00 47.91 C +ATOM 709 C PHE C 103 31.911 -23.040 35.904 1.00 47.08 C +ATOM 710 O PHE C 103 32.740 -22.445 36.589 1.00 47.45 O +ATOM 711 CB PHE C 103 29.438 -23.000 36.366 1.00 48.07 C +ATOM 712 CG PHE C 103 29.473 -21.578 36.849 1.00 48.44 C +ATOM 713 CD1 PHE C 103 29.870 -20.547 35.999 1.00 48.67 C +ATOM 714 CD2 PHE C 103 29.096 -21.260 38.149 1.00 48.44 C +ATOM 715 CE1 PHE C 103 29.901 -19.242 36.439 1.00 48.93 C +ATOM 716 CE2 PHE C 103 29.120 -19.947 38.592 1.00 49.32 C +ATOM 717 CZ PHE C 103 29.523 -18.938 37.740 1.00 49.05 C +ATOM 718 N LYS C 104 31.967 -23.095 34.578 1.00 46.24 N +ATOM 719 CA LYS C 104 32.992 -22.394 33.823 1.00 45.48 C +ATOM 720 C LYS C 104 32.332 -21.484 32.801 1.00 45.13 C +ATOM 721 O LYS C 104 31.476 -21.916 32.036 1.00 44.72 O +ATOM 722 CB LYS C 104 33.940 -23.378 33.129 1.00 45.59 C +ATOM 723 CG LYS C 104 35.175 -22.728 32.512 1.00 45.13 C +ATOM 724 CD LYS C 104 36.059 -23.756 31.805 1.00 45.27 C +ATOM 725 CE LYS C 104 37.302 -23.103 31.234 1.00 44.85 C +ATOM 726 NZ LYS C 104 38.177 -24.077 30.519 1.00 45.28 N +ATOM 727 N THR C 105 32.732 -20.219 32.805 1.00 44.89 N +ATOM 728 CA THR C 105 32.203 -19.239 31.858 1.00 44.87 C +ATOM 729 C THR C 105 32.701 -19.504 30.438 1.00 45.20 C +ATOM 730 O THR C 105 33.764 -20.096 30.243 1.00 44.92 O +ATOM 731 CB THR C 105 32.576 -17.803 32.270 1.00 44.77 C +ATOM 732 OG1 THR C 105 33.959 -17.760 32.638 1.00 44.40 O +ATOM 733 CG2 THR C 105 31.731 -17.352 33.450 1.00 44.44 C +ATOM 734 N GLN C 106 31.916 -19.067 29.456 1.00 45.74 N +ATOM 735 CA GLN C 106 32.264 -19.203 28.040 1.00 46.37 C +ATOM 736 C GLN C 106 33.404 -18.237 27.681 1.00 46.55 C +ATOM 737 O GLN C 106 33.552 -17.194 28.325 1.00 46.63 O +ATOM 738 CB GLN C 106 31.032 -18.939 27.169 1.00 46.30 C +ATOM 739 CG GLN C 106 29.867 -19.894 27.428 1.00 46.70 C +ATOM 740 CD GLN C 106 28.602 -19.536 26.652 1.00 47.03 C +ATOM 741 OE1 GLN C 106 28.558 -18.551 25.906 1.00 48.20 O +ATOM 742 NE2 GLN C 106 27.561 -20.342 26.830 1.00 47.88 N +ATOM 743 N PRO C 107 34.213 -18.578 26.653 1.00 46.99 N +ATOM 744 CA PRO C 107 35.376 -17.761 26.285 1.00 47.22 C +ATOM 745 C PRO C 107 35.107 -16.518 25.414 1.00 47.57 C +ATOM 746 O PRO C 107 36.068 -15.905 24.936 1.00 47.66 O +ATOM 747 CB PRO C 107 36.250 -18.754 25.511 1.00 47.29 C +ATOM 748 CG PRO C 107 35.269 -19.650 24.846 1.00 47.06 C +ATOM 749 CD PRO C 107 34.093 -19.770 25.788 1.00 46.94 C +ATOM 750 N VAL C 108 33.838 -16.143 25.231 1.00 47.74 N +ATOM 751 CA VAL C 108 33.433 -15.017 24.348 1.00 48.12 C +ATOM 752 C VAL C 108 33.594 -15.361 22.856 1.00 48.28 C +ATOM 753 O VAL C 108 32.645 -15.259 22.073 1.00 48.48 O +ATOM 754 CB VAL C 108 34.169 -13.661 24.649 1.00 48.06 C +ATOM 755 CG1 VAL C 108 33.605 -12.539 23.787 1.00 48.19 C +ATOM 756 CG2 VAL C 108 34.061 -13.277 26.108 1.00 48.28 C Added: SwiftApps/modFTdock/input/indata/2eaq-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2eaq-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2eaq-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,705 @@ +ATOM 1 N GLN A1037 46.370 1.402 -6.368 1.00 37.36 N +ATOM 2 CA GLN A1037 46.028 2.443 -7.384 1.00 35.54 C +ATOM 3 C GLN A1037 45.538 3.719 -6.673 1.00 33.74 C +ATOM 4 O GLN A1037 45.437 4.782 -7.297 1.00 35.45 O +ATOM 5 CB GLN A1037 44.957 1.889 -8.320 1.00 39.50 C +ATOM 6 CG GLN A1037 45.062 2.326 -9.774 1.00 41.77 C +ATOM 7 CD GLN A1037 44.167 1.489 -10.689 1.00 44.21 C +ATOM 8 OE1 GLN A1037 42.990 1.266 -10.389 1.00 45.20 O +ATOM 9 NE2 GLN A1037 44.720 1.028 -11.812 1.00 45.92 N +ATOM 10 N PHE A1038 45.239 3.637 -5.375 1.00 29.41 N +ATOM 11 CA PHE A1038 44.822 4.856 -4.697 1.00 24.24 C +ATOM 12 C PHE A1038 45.994 5.399 -3.905 1.00 22.28 C +ATOM 13 O PHE A1038 46.869 4.636 -3.491 1.00 20.07 O +ATOM 14 CB PHE A1038 43.639 4.614 -3.766 1.00 26.88 C +ATOM 15 CG PHE A1038 44.007 4.129 -2.389 1.00 30.64 C +ATOM 16 CD1 PHE A1038 43.537 2.903 -1.938 1.00 32.49 C +ATOM 17 CD2 PHE A1038 44.752 4.934 -1.502 1.00 32.77 C +ATOM 18 CE1 PHE A1038 43.794 2.475 -0.626 1.00 33.97 C +ATOM 19 CE2 PHE A1038 45.016 4.521 -0.186 1.00 32.27 C +ATOM 20 CZ PHE A1038 44.542 3.299 0.252 1.00 33.62 C +ATOM 21 N SER A1039 46.016 6.719 -3.728 1.00 15.89 N +ATOM 22 CA SER A1039 47.043 7.395 -2.952 1.00 15.25 C +ATOM 23 C SER A1039 46.388 8.174 -1.851 1.00 14.90 C +ATOM 24 O SER A1039 45.336 8.778 -2.077 1.00 15.23 O +ATOM 25 CB SER A1039 47.804 8.375 -3.812 1.00 19.10 C +ATOM 26 OG SER A1039 48.378 7.685 -4.907 1.00 23.45 O +ATOM 27 N ASP A1040 46.955 8.117 -0.665 1.00 13.37 N +ATOM 28 CA ASP A1040 46.494 8.871 0.475 1.00 10.21 C +ATOM 29 C ASP A1040 47.271 10.156 0.454 1.00 10.80 C +ATOM 30 O ASP A1040 48.467 10.142 0.125 1.00 11.60 O +ATOM 31 CB ASP A1040 46.768 8.169 1.807 1.00 13.94 C +ATOM 32 CG ASP A1040 45.797 7.061 2.069 1.00 19.38 C +ATOM 33 OD1 ASP A1040 44.686 7.165 1.540 1.00 22.52 O +ATOM 34 OD2 ASP A1040 46.128 6.096 2.782 1.00 22.54 O +ATOM 35 N MET A1041 46.614 11.268 0.777 1.00 10.11 N +ATOM 36 CA MET A1041 47.306 12.559 0.798 1.00 9.14 C +ATOM 37 C MET A1041 46.610 13.510 1.750 1.00 8.32 C +ATOM 38 O MET A1041 45.481 13.240 2.203 1.00 8.94 O +ATOM 39 CB MET A1041 47.387 13.147 -0.574 1.00 11.47 C +ATOM 40 CG MET A1041 46.017 13.373 -1.191 1.00 14.25 C +ATOM 41 SD MET A1041 45.754 13.758 -3.014 1.00 13.46 S +ATOM 42 CE MET A1041 46.633 13.277 -3.494 1.00 11.39 C +ATOM 43 N ARG A1042 47.295 14.594 2.096 1.00 6.59 N +ATOM 44 CA ARG A1042 46.788 15.588 3.030 1.00 5.90 C +ATOM 45 C ARG A1042 46.657 16.874 2.257 1.00 7.31 C +ATOM 46 O ARG A1042 47.586 17.225 1.515 1.00 11.31 O +ATOM 47 CB ARG A1042 47.769 15.736 4.212 1.00 8.38 C +ATOM 48 CG ARG A1042 47.357 16.640 5.324 1.00 9.75 C +ATOM 49 CD ARG A1042 48.217 16.237 6.538 1.00 11.32 C +ATOM 50 NE ARG A1042 47.631 15.022 7.143 1.00 13.06 N +ATOM 51 CZ ARG A1042 48.200 14.280 8.102 1.00 14.78 C +ATOM 52 NH1 ARG A1042 49.408 14.595 8.586 1.00 16.05 N +ATOM 53 NH2 ARG A1042 47.553 13.227 8.610 1.00 16.53 N +ATOM 54 N ILE A1043 45.532 17.574 2.337 1.00 5.84 N +ATOM 55 CA ILE A1043 45.351 18.810 1.581 1.00 5.99 C +ATOM 56 C ILE A1043 44.988 19.932 2.536 1.00 5.47 C +ATOM 57 O ILE A1043 44.027 19.808 3.295 1.00 7.36 O +ATOM 58 CB ILE A1043 44.256 18.624 0.546 1.00 5.29 C +ATOM 59 CG1 ILE A1043 44.623 17.479 -0.409 1.00 7.55 C +ATOM 60 CG2 ILE A1043 44.020 19.957 -0.239 1.00 7.68 C +ATOM 61 CD1 ILE A1043 43.557 17.248 -1.552 1.00 8.59 C +ATOM 62 N SER A1044 45.748 21.018 2.527 1.00 4.83 N +ATOM 63 CA SER A1044 45.495 22.139 3.409 1.00 6.13 C +ATOM 64 C SER A1044 44.737 23.223 2.674 1.00 6.67 C +ATOM 65 O SER A1044 45.130 23.624 1.592 1.00 7.12 O +ATOM 66 CB SER A1044 46.834 22.679 3.884 1.00 8.24 C +ATOM 67 OG SER A1044 46.530 23.675 4.920 1.00 11.08 O +ATOM 68 N ILE A1045 43.616 23.631 3.259 1.00 5.34 N +ATOM 69 CA ILE A1045 42.713 24.658 2.667 1.00 6.78 C +ATOM 70 C ILE A1045 42.554 25.717 3.751 1.00 6.27 C +ATOM 71 O ILE A1045 42.397 25.386 4.923 1.00 6.02 O +ATOM 72 CB ILE A1045 41.318 24.058 2.248 1.00 5.76 C +ATOM 73 CG1 ILE A1045 41.570 22.734 1.517 1.00 6.10 C +ATOM 74 CG2 ILE A1045 40.572 25.067 1.388 1.00 7.22 C +ATOM 75 CD1 ILE A1045 40.296 22.067 1.017 1.00 9.39 C +ATOM 76 N ASN A1046 42.617 26.987 3.378 1.00 4.83 N +ATOM 77 CA ASN A1046 42.565 28.087 4.368 1.00 5.37 C +ATOM 78 C ASN A1046 41.806 29.263 3.858 1.00 6.24 C +ATOM 79 O ASN A1046 41.916 29.583 2.666 1.00 9.27 O +ATOM 80 CB ASN A1046 43.983 28.573 4.699 1.00 5.54 C +ATOM 81 CG ASN A1046 44.846 27.473 5.255 1.00 5.07 C +ATOM 82 OD1 ASN A1046 44.823 27.194 6.450 1.00 6.01 O +ATOM 83 ND2 ASN A1046 45.588 26.809 4.391 1.00 5.90 N +ATOM 84 N GLN A1047 41.008 29.908 4.718 1.00 5.71 N +ATOM 85 CA GLN A1047 40.320 31.138 4.324 1.00 7.18 C +ATOM 86 C GLN A1047 40.120 31.967 5.577 1.00 6.63 C +ATOM 87 O GLN A1047 40.510 31.538 6.659 1.00 5.72 O +ATOM 88 CB GLN A1047 38.999 30.818 3.577 1.00 7.33 C +ATOM 89 CG GLN A1047 37.967 30.119 4.450 1.00 7.40 C +ATOM 90 CD GLN A1047 36.690 29.842 3.763 1.00 7.49 C +ATOM 91 OE1 GLN A1047 35.644 29.803 4.447 1.00 12.31 O +ATOM 92 NE2 GLN A1047 36.705 29.707 2.505 1.00 7.14 N +ATOM 93 N THR A1048 39.581 33.165 5.425 1.00 7.23 N +ATOM 94 CA THR A1048 39.433 34.034 6.605 1.00 6.06 C +ATOM 95 C THR A1048 38.582 33.408 7.679 1.00 8.46 C +ATOM 96 O THR A1048 37.535 32.832 7.373 1.00 7.58 O +ATOM 97 CB THR A1048 38.762 35.299 6.174 1.00 7.80 C +ATOM 98 OG1 THR A1048 39.536 35.848 5.105 1.00 7.93 O +ATOM 99 CG2 THR A1048 38.819 36.336 7.297 1.00 12.19 C +ATOM 100 N PRO A1049 39.012 33.483 8.923 1.00 9.14 N +ATOM 101 CA PRO A1049 38.193 32.897 10.002 1.00 9.39 C +ATOM 102 C PRO A1049 36.834 33.598 10.053 1.00 13.17 C +ATOM 103 O PRO A1049 36.753 34.835 9.875 1.00 12.96 O +ATOM 104 CB PRO A1049 38.994 33.221 11.280 1.00 8.84 C +ATOM 105 CG PRO A1049 40.467 33.318 10.777 1.00 10.54 C +ATOM 106 CD PRO A1049 40.323 33.966 9.397 1.00 6.49 C +ATOM 107 N GLY A1050 35.796 32.776 10.266 1.00 14.85 N +ATOM 108 CA GLY A1050 34.427 33.267 10.344 1.00 15.09 C +ATOM 109 C GLY A1050 33.848 33.844 9.061 1.00 14.57 C +ATOM 110 O GLY A1050 32.924 34.666 9.150 1.00 17.65 O +ATOM 111 N LYS A1051 34.388 33.473 7.902 1.00 15.30 N +ATOM 112 CA LYS A1051 33.906 33.947 6.598 1.00 15.26 C +ATOM 113 C LYS A1051 32.527 33.482 6.364 1.00 14.86 C +ATOM 114 O LYS A1051 32.136 32.385 6.825 1.00 15.80 O +ATOM 115 CB LYS A1051 34.827 33.404 5.478 1.00 14.49 C +ATOM 116 CG LYS A1051 34.896 34.234 4.182 1.00 12.42 C +ATOM 117 CD LYS A1051 35.815 33.508 3.154 1.00 10.98 C +ATOM 118 CE LYS A1051 35.952 34.352 1.878 1.00 9.37 C +ATOM 119 NZ LYS A1051 36.942 33.707 0.979 1.00 11.35 N +ATOM 120 N SER A1052 31.759 34.299 5.640 1.00 14.59 N +ATOM 121 CA SER A1052 30.400 33.945 5.302 1.00 13.93 C +ATOM 122 C SER A1052 30.278 32.946 4.126 1.00 15.49 C +ATOM 123 O SER A1052 29.192 32.386 3.900 1.00 21.15 O +ATOM 124 CB SER A1052 29.593 35.211 4.996 1.00 18.26 C +ATOM 125 OG SER A1052 30.017 35.754 3.769 1.00 23.74 O +ATOM 126 N LEU A1053 31.371 32.721 3.393 1.00 13.83 N +ATOM 127 CA LEU A1053 31.377 31.774 2.284 1.00 12.11 C +ATOM 128 C LEU A1053 32.003 30.456 2.744 1.00 11.62 C +ATOM 129 O LEU A1053 32.883 30.474 3.616 1.00 12.49 O +ATOM 130 CB LEU A1053 32.215 32.337 1.146 1.00 14.21 C +ATOM 131 CG LEU A1053 31.865 33.720 0.586 1.00 15.36 C +ATOM 132 CD1 LEU A1053 32.814 34.052 -0.553 1.00 16.42 C +ATOM 133 CD2 LEU A1053 30.429 33.696 0.103 1.00 16.51 C +ATOM 134 N ASP A1054 31.565 29.335 2.186 1.00 11.69 N +ATOM 135 CA ASP A1054 32.200 28.055 2.532 1.00 11.91 C +ATOM 136 C ASP A1054 33.498 27.914 1.724 1.00 11.03 C +ATOM 137 O ASP A1054 33.870 28.775 0.946 1.00 10.85 O +ATOM 138 CB ASP A1054 31.299 26.860 2.277 1.00 16.68 C +ATOM 139 CG ASP A1054 30.810 26.801 0.860 1.00 18.76 C +ATOM 140 OD1 ASP A1054 31.614 26.781 -0.096 1.00 24.43 O +ATOM 141 OD2 ASP A1054 29.555 26.791 0.669 1.00 24.90 O +ATOM 142 N PHE A1055 34.188 26.810 1.943 1.00 9.12 N +ATOM 143 CA PHE A1055 35.489 26.589 1.312 1.00 7.00 C +ATOM 144 C PHE A1055 35.475 26.325 -0.176 1.00 7.12 C +ATOM 145 O PHE A1055 36.524 26.372 -0.806 1.00 8.44 O +ATOM 146 CB PHE A1055 36.231 25.443 1.993 1.00 5.37 C +ATOM 147 CG PHE A1055 36.728 25.755 3.382 1.00 6.14 C +ATOM 148 CD1 PHE A1055 37.965 26.349 3.585 1.00 7.99 C +ATOM 149 CD2 PHE A1055 35.962 25.427 4.493 1.00 8.49 C +ATOM 150 CE1 PHE A1055 38.449 26.597 4.874 1.00 8.35 C +ATOM 151 CE2 PHE A1055 36.435 25.689 5.822 1.00 9.41 C +ATOM 152 CZ PHE A1055 37.691 26.276 5.990 1.00 7.72 C +ATOM 153 N GLY A1056 34.301 26.099 -0.749 1.00 8.19 N +ATOM 154 CA GLY A1056 34.287 25.900 -2.195 1.00 9.64 C +ATOM 155 C GLY A1056 34.069 24.497 -2.651 1.00 7.88 C +ATOM 156 O GLY A1056 34.200 24.252 -3.835 1.00 10.36 O +ATOM 157 N PHE A1057 33.699 23.556 -1.769 1.00 7.05 N +ATOM 158 CA PHE A1057 33.435 22.213 -2.270 1.00 6.10 C +ATOM 159 C PHE A1057 32.145 21.720 -1.579 1.00 7.35 C +ATOM 160 O PHE A1057 31.725 22.259 -0.550 1.00 7.88 O +ATOM 161 CB PHE A1057 34.629 21.279 -1.945 1.00 7.90 C +ATOM 162 CG PHE A1057 34.800 20.961 -0.511 1.00 5.09 C +ATOM 163 CD1 PHE A1057 34.262 19.809 0.018 1.00 6.65 C +ATOM 164 CD2 PHE A1057 35.525 21.818 0.340 1.00 7.08 C +ATOM 165 CE1 PHE A1057 34.443 19.539 1.383 1.00 10.04 C +ATOM 166 CE2 PHE A1057 35.687 21.537 1.688 1.00 7.87 C +ATOM 167 CZ PHE A1057 35.139 20.407 2.184 1.00 9.09 C +ATOM 168 N THR A1058 31.504 20.739 -2.205 1.00 6.01 N +ATOM 169 CA THR A1058 30.326 20.072 -1.594 1.00 7.25 C +ATOM 170 C THR A1058 30.693 18.597 -1.470 1.00 6.53 C +ATOM 171 O THR A1058 31.582 18.081 -2.179 1.00 7.00 O +ATOM 172 CB THR A1058 29.066 20.195 -2.416 1.00 8.23 C +ATOM 173 OG1 THR A1058 29.254 19.607 -3.696 1.00 8.64 O +ATOM 174 CG2 THR A1058 28.690 21.694 -2.579 1.00 7.90 C +ATOM 175 N ILE A1059 29.990 17.900 -0.581 1.00 5.72 N +ATOM 176 CA ILE A1059 30.247 16.495 -0.312 1.00 6.82 C +ATOM 177 C ILE A1059 29.176 15.606 -0.895 1.00 6.65 C +ATOM 178 O ILE A1059 27.965 15.984 -0.910 1.00 7.40 O +ATOM 179 CB ILE A1059 30.306 16.294 1.204 1.00 6.90 C +ATOM 180 CG1 ILE A1059 31.542 17.029 1.764 1.00 7.87 C +ATOM 181 CG2 ILE A1059 30.418 14.774 1.564 1.00 9.14 C +ATOM 182 CD1 ILE A1059 31.801 16.858 3.258 1.00 10.42 C +ATOM 183 N LYS A1060 29.637 14.493 -1.450 1.00 6.90 N +ATOM 184 CA LYS A1060 28.791 13.407 -1.929 1.00 7.54 C +ATOM 185 C LYS A1060 28.792 12.366 -0.835 1.00 5.78 C +ATOM 186 O LYS A1060 29.829 11.751 -0.497 1.00 7.91 O +ATOM 187 CB LYS A1060 29.345 12.761 -3.197 1.00 9.64 C +ATOM 188 CG LYS A1060 28.411 11.616 -3.654 1.00 14.20 C +ATOM 189 CD LYS A1060 28.738 11.169 -5.062 1.00 20.45 C +ATOM 190 CE LYS A1060 29.709 10.010 -4.973 1.00 23.56 C +ATOM 191 NZ LYS A1060 29.541 9.024 -6.130 1.00 29.98 N +ATOM 192 N TRP A1061 27.614 12.186 -0.217 1.00 5.52 N +ATOM 193 CA TRP A1061 27.443 11.128 0.765 1.00 6.34 C +ATOM 194 C TRP A1061 27.184 9.846 0.001 1.00 7.47 C +ATOM 195 O TRP A1061 26.191 9.733 -0.759 1.00 7.76 O +ATOM 196 CB TRP A1061 26.260 11.492 1.648 1.00 7.46 C +ATOM 197 CG TRP A1061 26.610 12.645 2.552 1.00 8.09 C +ATOM 198 CD1 TRP A1061 26.734 13.960 2.176 1.00 10.24 C +ATOM 199 CD2 TRP A1061 26.959 12.574 3.920 1.00 9.29 C +ATOM 200 NE1 TRP A1061 27.150 14.720 3.249 1.00 12.59 N +ATOM 201 CE2 TRP A1061 27.300 13.900 4.337 1.00 10.17 C +ATOM 202 CE3 TRP A1061 27.030 11.510 4.865 1.00 8.74 C +ATOM 203 CZ2 TRP A1061 27.690 14.205 5.634 1.00 10.94 C +ATOM 204 CZ3 TRP A1061 27.418 11.830 6.166 1.00 12.06 C +ATOM 205 CH2 TRP A1061 27.742 13.164 6.538 1.00 11.37 C +ATOM 206 N ASP A1062 28.051 8.853 0.157 1.00 7.32 N +ATOM 207 CA ASP A1062 27.865 7.559 -0.482 1.00 7.36 C +ATOM 208 C ASP A1062 28.313 6.557 0.577 1.00 6.45 C +ATOM 209 O ASP A1062 29.336 5.836 0.438 1.00 7.09 O +ATOM 210 CB ASP A1062 28.699 7.430 -1.745 1.00 9.00 C +ATOM 211 CG ASP A1062 28.095 6.395 -2.683 1.00 9.82 C +ATOM 212 OD1 ASP A1062 27.117 5.788 -2.248 1.00 12.87 O +ATOM 213 OD2 ASP A1062 28.626 6.259 -3.779 1.00 16.29 O +ATOM 214 N ILE A1063 27.498 6.441 1.603 1.00 6.23 N +ATOM 215 CA ILE A1063 27.794 5.611 2.776 1.00 6.55 C +ATOM 216 C ILE A1063 28.244 4.215 2.305 1.00 6.14 C +ATOM 217 O ILE A1063 27.590 3.627 1.484 1.00 7.16 O +ATOM 218 CB ILE A1063 26.513 5.570 3.666 1.00 6.20 C +ATOM 219 CG1 ILE A1063 26.284 6.949 4.324 1.00 7.54 C +ATOM 220 CG2 ILE A1063 26.627 4.474 4.705 1.00 7.14 C +ATOM 221 CD1 ILE A1063 27.493 7.530 5.126 1.00 9.96 C +ATOM 222 N PRO A1064 29.253 3.617 2.967 1.00 7.61 N +ATOM 223 CA PRO A1064 29.948 4.152 4.145 1.00 6.46 C +ATOM 224 C PRO A1064 30.999 5.247 3.983 1.00 7.78 C +ATOM 225 O PRO A1064 31.640 5.620 4.992 1.00 10.84 O +ATOM 226 CB PRO A1064 30.508 2.881 4.818 1.00 8.88 C +ATOM 227 CG PRO A1064 30.919 2.071 3.593 1.00 8.00 C +ATOM 228 CD PRO A1064 29.730 2.230 2.652 1.00 8.34 C +ATOM 229 N GLY A1065 31.134 5.760 2.756 1.00 5.33 N +ATOM 230 CA GLY A1065 32.100 6.854 2.587 1.00 6.71 C +ATOM 231 C GLY A1065 31.494 8.191 2.261 1.00 7.65 C +ATOM 232 O GLY A1065 30.310 8.308 1.932 1.00 6.87 O +ATOM 233 N ILE A1066 32.301 9.224 2.371 1.00 6.05 N +ATOM 234 CA ILE A1066 31.950 10.583 1.877 1.00 6.85 C +ATOM 235 C ILE A1066 33.039 10.974 0.886 1.00 5.63 C +ATOM 236 O ILE A1066 34.224 10.636 1.074 1.00 6.41 O +ATOM 237 CB ILE A1066 31.806 11.637 2.980 1.00 4.99 C +ATOM 238 CG1 ILE A1066 32.938 11.535 3.978 1.00 7.10 C +ATOM 239 CG2 ILE A1066 30.456 11.482 3.706 1.00 7.58 C +ATOM 240 CD1 ILE A1066 33.048 12.816 4.850 1.00 8.76 C +ATOM 241 N PHE A1067 32.645 11.684 -0.151 1.00 6.50 N +ATOM 242 CA PHE A1067 33.530 12.053 -1.270 1.00 5.18 C +ATOM 243 C PHE A1067 33.311 13.501 -1.655 1.00 6.76 C +ATOM 244 O PHE A1067 32.321 14.118 -1.281 1.00 7.29 O +ATOM 245 CB PHE A1067 33.228 11.166 -2.487 1.00 7.41 C +ATOM 246 CG PHE A1067 33.331 9.687 -2.204 1.00 6.74 C +ATOM 247 CD1 PHE A1067 32.278 9.021 -1.577 1.00 6.93 C +ATOM 248 CD2 PHE A1067 34.518 9.022 -2.490 1.00 7.51 C +ATOM 249 CE1 PHE A1067 32.428 7.660 -1.211 1.00 8.58 C +ATOM 250 CE2 PHE A1067 34.686 7.689 -2.156 1.00 9.23 C +ATOM 251 CZ PHE A1067 33.628 7.027 -1.516 1.00 8.38 C +ATOM 252 N VAL A1068 34.277 14.061 -2.381 1.00 5.99 N +ATOM 253 CA VAL A1068 34.109 15.430 -2.880 1.00 5.46 C +ATOM 254 C VAL A1068 33.184 15.374 -4.095 1.00 4.15 C +ATOM 255 O VAL A1068 33.454 14.691 -5.099 1.00 6.73 O +ATOM 256 CB VAL A1068 35.472 16.037 -3.239 1.00 4.54 C +ATOM 257 CG1 VAL A1068 35.262 17.377 -3.860 1.00 5.03 C +ATOM 258 CG2 VAL A1068 36.335 16.150 -1.978 1.00 7.37 C +ATOM 259 N ALA A1069 32.059 16.086 -3.993 1.00 5.35 N +ATOM 260 CA ALA A1069 31.086 16.089 -5.110 1.00 6.67 C +ATOM 261 C ALA A1069 31.378 17.163 -6.167 1.00 7.65 C +ATOM 262 O ALA A1069 31.140 16.997 -7.376 1.00 8.60 O +ATOM 263 CB ALA A1069 29.691 16.315 -4.550 1.00 7.59 C +ATOM 264 N SER A1070 31.881 18.305 -5.703 1.00 5.33 N +ATOM 265 CA SER A1070 32.129 19.435 -6.610 1.00 5.97 C +ATOM 266 C SER A1070 33.187 20.305 -5.954 1.00 6.12 C +ATOM 267 O SER A1070 33.352 20.298 -4.716 1.00 6.18 O +ATOM 268 CB SER A1070 30.822 20.234 -6.778 1.00 7.96 C +ATOM 269 OG SER A1070 30.452 20.931 -5.572 1.00 12.11 O +ATOM 270 N VAL A1071 33.939 21.027 -6.805 1.00 6.24 N +ATOM 271 CA VAL A1071 34.985 21.998 -6.376 1.00 6.25 C +ATOM 272 C VAL A1071 34.765 23.192 -7.267 1.00 8.10 C +ATOM 273 O VAL A1071 34.947 23.102 -8.476 1.00 11.28 O +ATOM 274 CB VAL A1071 36.393 21.403 -6.531 1.00 6.24 C +ATOM 275 CG1 VAL A1071 37.427 22.445 -6.057 1.00 8.13 C +ATOM 276 CG2 VAL A1071 36.562 20.202 -5.689 1.00 5.36 C +ATOM 277 N GLU A1072 34.420 24.318 -6.646 1.00 6.42 N +ATOM 278 CA GLU A1072 34.070 25.519 -7.366 1.00 8.75 C +ATOM 279 C GLU A1072 35.237 26.337 -7.861 1.00 8.28 C +ATOM 280 O GLU A1072 36.212 26.567 -7.148 1.00 8.21 O +ATOM 281 CB GLU A1072 33.281 26.417 -6.457 1.00 10.66 C +ATOM 282 CG GLU A1072 31.926 25.934 -6.014 1.00 18.98 C +ATOM 283 CD GLU A1072 31.282 27.109 -5.253 1.00 25.01 C +ATOM 284 OE1 GLU A1072 30.687 28.013 -5.914 1.00 30.26 O +ATOM 285 OE2 GLU A1072 31.444 27.169 -4.030 1.00 24.63 O +ATOM 286 N ALA A1073 35.181 26.725 -9.119 1.00 7.19 N +ATOM 287 CA ALA A1073 36.210 27.605 -9.668 1.00 8.33 C +ATOM 288 C ALA A1073 36.244 28.868 -8.834 1.00 7.44 C +ATOM 289 O ALA A1073 35.221 29.392 -8.389 1.00 7.97 O +ATOM 290 CB ALA A1073 35.885 27.939 -11.115 1.00 8.79 C +ATOM 291 N GLY A1074 37.479 29.311 -8.607 1.00 7.86 N +ATOM 292 CA GLY A1074 37.760 30.521 -7.857 1.00 8.59 C +ATOM 293 C GLY A1074 37.811 30.384 -6.343 1.00 7.87 C +ATOM 294 O GLY A1074 38.085 31.372 -5.655 1.00 7.75 O +ATOM 295 N SER A1075 37.545 29.179 -5.827 1.00 7.48 N +ATOM 296 CA SER A1075 37.456 28.980 -4.404 1.00 6.14 C +ATOM 297 C SER A1075 38.741 28.537 -3.746 1.00 5.47 C +ATOM 298 O SER A1075 39.669 28.113 -4.404 1.00 5.10 O +ATOM 299 CB SER A1075 36.391 27.864 -4.116 1.00 6.92 C +ATOM 300 OG SER A1075 36.895 26.595 -4.510 1.00 8.13 O +ATOM 301 N PRO A1076 38.797 28.616 -2.411 1.00 4.14 N +ATOM 302 CA PRO A1076 39.987 28.144 -1.685 1.00 4.98 C +ATOM 303 C PRO A1076 40.215 26.647 -1.983 1.00 5.42 C +ATOM 304 O PRO A1076 41.370 26.157 -2.116 1.00 4.69 O +ATOM 305 CB PRO A1076 39.594 28.355 -0.222 1.00 5.59 C +ATOM 306 CG PRO A1076 38.765 29.576 -0.246 1.00 7.53 C +ATOM 307 CD PRO A1076 37.914 29.389 -1.529 1.00 5.81 C +ATOM 308 N ALA A1077 39.151 25.865 -2.100 1.00 5.36 N +ATOM 309 CA ALA A1077 39.319 24.425 -2.352 1.00 5.36 C +ATOM 310 C ALA A1077 39.934 24.178 -3.728 1.00 4.29 C +ATOM 311 O ALA A1077 40.758 23.275 -3.872 1.00 4.74 O +ATOM 312 CB ALA A1077 37.958 23.734 -2.208 1.00 5.77 C +ATOM 313 N GLU A1078 39.620 25.004 -4.741 1.00 6.21 N +ATOM 314 CA GLU A1078 40.214 24.843 -6.049 1.00 5.59 C +ATOM 315 C GLU A1078 41.677 25.269 -5.962 1.00 5.20 C +ATOM 316 O GLU A1078 42.536 24.586 -6.488 1.00 6.07 O +ATOM 317 CB GLU A1078 39.444 25.691 -7.089 1.00 5.95 C +ATOM 318 CG GLU A1078 40.056 25.682 -8.448 1.00 8.64 C +ATOM 319 CD GLU A1078 39.958 24.391 -9.197 1.00 16.32 C +ATOM 320 OE1 GLU A1078 39.459 23.339 -8.683 1.00 17.49 O +ATOM 321 OE2 GLU A1078 40.397 24.415 -10.369 1.00 18.36 O +ATOM 322 N PHE A1079 41.931 26.374 -5.271 1.00 5.86 N +ATOM 323 CA PHE A1079 43.315 26.860 -5.129 1.00 5.72 C +ATOM 324 C PHE A1079 44.156 25.735 -4.512 1.00 5.00 C +ATOM 325 O PHE A1079 45.277 25.459 -4.940 1.00 5.88 O +ATOM 326 CB PHE A1079 43.318 28.098 -4.192 1.00 6.27 C +ATOM 327 CG PHE A1079 44.711 28.619 -3.876 1.00 5.74 C +ATOM 328 CD1 PHE A1079 45.402 29.447 -4.773 1.00 5.37 C +ATOM 329 CD2 PHE A1079 45.349 28.207 -2.727 1.00 4.98 C +ATOM 330 CE1 PHE A1079 46.730 29.834 -4.467 1.00 5.04 C +ATOM 331 CE2 PHE A1079 46.665 28.581 -2.418 1.00 6.69 C +ATOM 332 CZ PHE A1079 47.347 29.396 -3.305 1.00 6.02 C +ATOM 333 N SER A1080 43.597 25.070 -3.492 1.00 3.94 N +ATOM 334 CA SER A1080 44.344 23.999 -2.788 1.00 3.65 C +ATOM 335 C SER A1080 44.436 22.697 -3.515 1.00 3.20 C +ATOM 336 O SER A1080 45.155 21.798 -3.097 1.00 5.12 O +ATOM 337 CB SER A1080 43.694 23.735 -1.442 1.00 5.42 C +ATOM 338 OG SER A1080 43.899 24.860 -0.564 1.00 6.03 O +ATOM 339 N GLN A1081 43.728 22.603 -4.630 1.00 4.25 N +ATOM 340 CA GLN A1081 43.748 21.433 -5.513 1.00 5.17 C +ATOM 341 C GLN A1081 43.098 20.183 -4.976 1.00 5.69 C +ATOM 342 O GLN A1081 43.538 19.052 -5.216 1.00 7.03 O +ATOM 343 CB GLN A1081 45.142 21.198 -6.165 1.00 6.63 C +ATOM 344 CG GLN A1081 45.531 22.438 -7.026 1.00 8.03 C +ATOM 345 CD GLN A1081 46.789 22.361 -7.801 1.00 11.60 C +ATOM 346 OE1 GLN A1081 47.392 23.434 -8.145 1.00 12.09 O +ATOM 347 NE2 GLN A1081 47.199 21.165 -8.126 1.00 12.00 N +ATOM 348 N LEU A1082 41.990 20.410 -4.232 1.00 5.70 N +ATOM 349 CA LEU A1082 41.102 19.286 -3.869 1.00 5.85 C +ATOM 350 C LEU A1082 40.409 18.902 -5.162 1.00 5.26 C +ATOM 351 O LEU A1082 40.128 19.752 -6.019 1.00 7.30 O +ATOM 352 CB LEU A1082 40.100 19.824 -2.853 1.00 5.45 C +ATOM 353 CG LEU A1082 39.035 18.832 -2.352 1.00 4.27 C +ATOM 354 CD1 LEU A1082 39.769 17.732 -1.452 1.00 6.16 C +ATOM 355 CD2 LEU A1082 37.952 19.561 -1.512 1.00 6.24 C +ATOM 356 N GLN A1083 40.126 17.622 -5.341 1.00 5.19 N +ATOM 357 CA GLN A1083 39.476 17.184 -6.593 1.00 7.11 C +ATOM 358 C GLN A1083 38.199 16.373 -6.392 1.00 5.39 C +ATOM 359 O GLN A1083 38.071 15.663 -5.399 1.00 6.66 O +ATOM 360 CB GLN A1083 40.456 16.338 -7.420 1.00 8.52 C +ATOM 361 CG GLN A1083 41.658 17.206 -7.864 1.00 10.54 C +ATOM 362 CD GLN A1083 42.694 16.479 -8.677 1.00 14.65 C +ATOM 363 OE1 GLN A1083 42.513 15.361 -9.104 1.00 14.83 O +ATOM 364 NE2 GLN A1083 43.828 17.176 -8.913 1.00 14.67 N +ATOM 365 N VAL A1084 37.282 16.530 -7.347 1.00 6.27 N +ATOM 366 CA VAL A1084 36.023 15.754 -7.337 1.00 5.81 C +ATOM 367 C VAL A1084 36.387 14.283 -7.305 1.00 6.56 C +ATOM 368 O VAL A1084 37.376 13.866 -7.929 1.00 7.67 O +ATOM 369 CB VAL A1084 35.207 16.085 -8.573 1.00 4.81 C +ATOM 370 CG1 VAL A1084 34.002 15.132 -8.686 1.00 6.70 C +ATOM 371 CG2 VAL A1084 34.767 17.532 -8.522 1.00 7.21 C +ATOM 372 N ASP A1085 35.603 13.522 -6.513 1.00 7.20 N +ATOM 373 CA ASP A1085 35.770 12.087 -6.279 1.00 7.67 C +ATOM 374 C ASP A1085 36.827 11.736 -5.261 1.00 6.58 C +ATOM 375 O ASP A1085 37.000 10.551 -4.936 1.00 8.35 O +ATOM 376 CB ASP A1085 36.049 11.325 -7.582 1.00 10.78 C +ATOM 377 CG ASP A1085 34.799 11.119 -8.435 1.00 16.78 C +ATOM 378 OD1 ASP A1085 33.685 11.128 -7.894 1.00 17.07 O +ATOM 379 OD2 ASP A1085 34.955 10.901 -9.666 1.00 20.21 O +ATOM 380 N ASP A1086 37.584 12.721 -4.769 1.00 6.26 N +ATOM 381 CA ASP A1086 38.513 12.391 -3.690 1.00 6.60 C +ATOM 382 C ASP A1086 37.679 11.866 -2.516 1.00 6.40 C +ATOM 383 O ASP A1086 36.631 12.444 -2.190 1.00 6.53 O +ATOM 384 CB ASP A1086 39.287 13.628 -3.170 1.00 5.94 C +ATOM 385 CG ASP A1086 40.381 14.087 -4.088 1.00 6.94 C +ATOM 386 OD1 ASP A1086 40.742 13.351 -5.005 1.00 6.87 O +ATOM 387 OD2 ASP A1086 40.890 15.211 -3.820 1.00 7.02 O +ATOM 388 N GLU A1087 38.081 10.778 -1.874 1.00 5.93 N +ATOM 389 CA GLU A1087 37.358 10.259 -0.696 1.00 5.50 C +ATOM 390 C GLU A1087 37.842 11.006 0.510 1.00 6.11 C +ATOM 391 O GLU A1087 39.075 11.126 0.686 1.00 6.57 O +ATOM 392 CB GLU A1087 37.597 8.768 -0.507 1.00 8.59 C +ATOM 393 CG GLU A1087 36.686 8.259 0.653 1.00 7.83 C +ATOM 394 CD GLU A1087 36.870 6.819 1.035 1.00 10.20 C +ATOM 395 OE1 GLU A1087 37.692 6.132 0.419 1.00 12.94 O +ATOM 396 OE2 GLU A1087 36.183 6.434 2.008 1.00 11.51 O +ATOM 397 N ILE A1088 36.932 11.523 1.323 1.00 5.88 N +ATOM 398 CA ILE A1088 37.319 12.313 2.481 1.00 6.13 C +ATOM 399 C ILE A1088 37.456 11.364 3.680 1.00 8.29 C +ATOM 400 O ILE A1088 36.498 10.683 4.101 1.00 8.28 O +ATOM 401 CB ILE A1088 36.246 13.411 2.754 1.00 5.76 C +ATOM 402 CG1 ILE A1088 36.143 14.288 1.506 1.00 7.37 C +ATOM 403 CG2 ILE A1088 36.578 14.220 3.990 1.00 8.12 C +ATOM 404 CD1 ILE A1088 34.910 15.268 1.482 1.00 7.29 C +ATOM 405 N ILE A1089 38.654 11.285 4.252 1.00 7.04 N +ATOM 406 CA ILE A1089 38.901 10.420 5.374 1.00 8.76 C +ATOM 407 C ILE A1089 38.824 11.116 6.701 1.00 8.12 C +ATOM 408 O ILE A1089 38.281 10.592 7.660 1.00 9.06 O +ATOM 409 CB ILE A1089 40.281 9.705 5.207 1.00 9.36 C +ATOM 410 CG1 ILE A1089 40.320 8.921 3.886 1.00 10.49 C +ATOM 411 CG2 ILE A1089 40.520 8.778 6.409 1.00 10.59 C +ATOM 412 CD1 ILE A1089 39.221 7.958 3.683 1.00 13.89 C +ATOM 413 N ALA A1090 39.327 12.340 6.763 1.00 6.91 N +ATOM 414 CA ALA A1090 39.291 13.103 8.004 1.00 5.55 C +ATOM 415 C ALA A1090 39.464 14.594 7.715 1.00 6.00 C +ATOM 416 O ALA A1090 39.951 14.951 6.662 1.00 7.26 O +ATOM 417 CB ALA A1090 40.492 12.718 8.934 1.00 7.67 C +ATOM 418 N ILE A1091 38.966 15.426 8.606 1.00 7.23 N +ATOM 419 CA ILE A1091 39.279 16.858 8.533 1.00 8.69 C +ATOM 420 C ILE A1091 39.797 17.266 9.906 1.00 8.78 C +ATOM 421 O ILE A1091 39.205 16.910 10.939 1.00 8.45 O +ATOM 422 CB ILE A1091 38.113 17.752 8.103 1.00 9.38 C +ATOM 423 CG1 ILE A1091 36.922 17.561 9.028 1.00 6.98 C +ATOM 424 CG2 ILE A1091 37.768 17.487 6.678 1.00 9.29 C +ATOM 425 CD1 ILE A1091 35.785 18.619 8.786 1.00 12.91 C +ATOM 426 N ASN A1092 40.913 18.002 9.925 1.00 8.57 N +ATOM 427 CA ASN A1092 41.486 18.452 11.172 1.00 8.82 C +ATOM 428 C ASN A1092 41.583 17.239 12.125 1.00 10.39 C +ATOM 429 O ASN A1092 42.198 16.224 11.748 1.00 13.08 O +ATOM 430 CB ASN A1092 40.647 19.651 11.680 1.00 8.00 C +ATOM 431 CG ASN A1092 40.620 20.798 10.669 1.00 7.70 C +ATOM 432 OD1 ASN A1092 39.629 21.565 10.555 1.00 11.85 O +ATOM 433 ND2 ASN A1092 41.731 20.954 9.960 1.00 5.99 N +ATOM 434 N ASN A1093 41.023 17.312 13.307 1.00 11.01 N +ATOM 435 CA ASN A1093 41.163 16.138 14.213 1.00 12.16 C +ATOM 436 C ASN A1093 39.968 15.197 14.204 1.00 11.37 C +ATOM 437 O ASN A1093 39.783 14.442 15.175 1.00 14.03 O +ATOM 438 CB ASN A1093 41.358 16.706 15.636 1.00 13.49 C +ATOM 439 CG ASN A1093 42.664 17.521 15.726 1.00 15.92 C +ATOM 440 OD1 ASN A1093 42.711 18.655 16.266 1.00 18.53 O +ATOM 441 ND2 ASN A1093 43.705 16.953 15.161 1.00 15.13 N +ATOM 442 N THR A1094 39.192 15.160 13.123 1.00 8.96 N +ATOM 443 CA THR A1094 37.972 14.380 13.092 1.00 8.23 C +ATOM 444 C THR A1094 38.025 13.395 11.959 1.00 7.63 C +ATOM 445 O THR A1094 38.015 13.769 10.789 1.00 7.86 O +ATOM 446 CB THR A1094 36.766 15.320 12.871 1.00 9.22 C +ATOM 447 OG1 THR A1094 36.664 16.228 13.970 1.00 12.48 O +ATOM 448 CG2 THR A1094 35.474 14.552 12.767 1.00 10.53 C +ATOM 449 N LYS A1095 38.083 12.102 12.308 1.00 9.31 N +ATOM 450 CA LYS A1095 38.049 11.055 11.284 1.00 9.49 C +ATOM 451 C LYS A1095 36.561 10.777 11.008 1.00 10.76 C +ATOM 452 O LYS A1095 35.740 10.608 11.939 1.00 13.51 O +ATOM 453 CB LYS A1095 38.752 9.792 11.821 1.00 12.85 C +ATOM 454 CG LYS A1095 38.901 8.682 10.799 1.00 17.29 C +ATOM 455 CD LYS A1095 39.552 7.428 11.379 1.00 22.13 C +ATOM 456 CE LYS A1095 40.082 6.541 10.246 1.00 26.99 C +ATOM 457 NZ LYS A1095 39.040 6.276 9.150 1.00 27.22 N +ATOM 458 N PHE A1096 36.167 10.742 9.750 1.00 8.36 N +ATOM 459 CA PHE A1096 34.774 10.422 9.431 1.00 11.14 C +ATOM 460 C PHE A1096 34.400 8.985 9.764 1.00 10.52 C +ATOM 461 O PHE A1096 35.181 8.019 9.542 1.00 12.72 O +ATOM 462 CB PHE A1096 34.544 10.573 7.927 1.00 9.88 C +ATOM 463 CG PHE A1096 33.136 10.248 7.497 1.00 9.05 C +ATOM 464 CD1 PHE A1096 32.103 11.139 7.780 1.00 7.88 C +ATOM 465 CD2 PHE A1096 32.850 9.012 6.905 1.00 8.57 C +ATOM 466 CE1 PHE A1096 30.758 10.816 7.484 1.00 8.41 C +ATOM 467 CE2 PHE A1096 31.530 8.666 6.602 1.00 8.44 C +ATOM 468 CZ PHE A1096 30.492 9.553 6.894 1.00 8.52 C +ATOM 469 N SER A1097 33.198 8.836 10.279 1.00 12.40 N +ATOM 470 CA SER A1097 32.679 7.484 10.394 1.00 13.28 C +ATOM 471 C SER A1097 31.194 7.596 10.124 1.00 10.97 C +ATOM 472 O SER A1097 30.524 8.563 10.547 1.00 11.85 O +ATOM 473 CB SER A1097 32.914 6.843 11.749 1.00 14.67 C +ATOM 474 OG SER A1097 32.089 5.687 11.871 1.00 21.51 O +ATOM 475 N TYR A1098 30.722 6.571 9.429 1.00 11.85 N +ATOM 476 CA TYR A1098 29.320 6.510 9.121 1.00 10.16 C +ATOM 477 C TYR A1098 28.466 6.500 10.366 1.00 10.73 C +ATOM 478 O TYR A1098 27.284 6.811 10.304 1.00 11.09 O +ATOM 479 CB TYR A1098 28.951 5.283 8.312 1.00 13.30 C +ATOM 480 CG TYR A1098 29.175 4.018 9.033 1.00 12.13 C +ATOM 481 CD1 TYR A1098 30.449 3.443 9.061 1.00 13.29 C +ATOM 482 CD2 TYR A1098 28.171 3.433 9.751 1.00 12.53 C +ATOM 483 CE1 TYR A1098 30.706 2.316 9.801 1.00 15.63 C +ATOM 484 CE2 TYR A1098 28.420 2.271 10.527 1.00 13.35 C +ATOM 485 CZ TYR A1098 29.688 1.744 10.534 1.00 13.05 C +ATOM 486 OH TYR A1098 29.973 0.656 11.300 1.00 16.27 O +ATOM 487 N ASN A1099 29.052 6.104 11.499 1.00 10.66 N +ATOM 488 CA ASN A1099 28.328 6.048 12.798 1.00 15.20 C +ATOM 489 C ASN A1099 28.169 7.402 13.468 1.00 18.77 C +ATOM 490 O ASN A1099 27.418 7.523 14.447 1.00 22.03 O +ATOM 491 CB ASN A1099 29.078 5.169 13.811 1.00 16.49 C +ATOM 492 CG ASN A1099 28.727 3.740 13.720 1.00 22.76 C +ATOM 493 OD1 ASN A1099 29.602 2.865 13.862 1.00 27.03 O +ATOM 494 ND2 ASN A1099 27.440 3.461 13.517 1.00 25.03 N +ATOM 495 N ASP A1100 28.909 8.420 13.044 1.00 19.46 N +ATOM 496 CA ASP A1100 28.621 9.733 13.674 1.00 23.04 C +ATOM 497 C ASP A1100 28.756 10.902 12.721 1.00 21.11 C +ATOM 498 O ASP A1100 29.744 11.669 12.712 1.00 20.20 O +ATOM 499 CB ASP A1100 29.437 10.008 14.937 1.00 26.09 C +ATOM 500 CG ASP A1100 28.773 11.085 15.898 1.00 27.48 C +ATOM 501 OD1 ASP A1100 27.889 11.891 15.514 1.00 25.04 O +ATOM 502 OD2 ASP A1100 29.195 11.110 17.077 1.00 31.36 O +ATOM 503 N SER A1101 27.710 11.036 11.924 1.00 19.80 N +ATOM 504 CA SER A1101 27.623 12.124 10.998 1.00 20.40 C +ATOM 505 C SER A1101 27.385 13.404 11.763 1.00 18.95 C +ATOM 506 O SER A1101 27.662 14.457 11.233 1.00 14.16 O +ATOM 507 CB SER A1101 26.438 11.942 10.007 1.00 20.99 C +ATOM 508 OG SER A1101 25.142 12.051 10.626 1.00 26.24 O +ATOM 509 N LYS A1102 26.834 13.335 12.970 1.00 17.71 N +ATOM 510 CA LYS A1102 26.570 14.561 13.712 1.00 16.20 C +ATOM 511 C LYS A1102 27.911 15.233 14.031 1.00 12.27 C +ATOM 512 O LYS A1102 28.098 16.439 13.785 1.00 13.48 O +ATOM 513 CB LYS A1102 25.825 14.244 15.018 1.00 19.76 C +ATOM 514 CG LYS A1102 25.471 15.449 15.811 1.00 23.39 C +ATOM 515 CD LYS A1102 24.776 16.422 14.950 1.00 27.41 C +ATOM 516 CE LYS A1102 24.094 17.466 15.799 1.00 29.93 C +ATOM 517 NZ LYS A1102 23.199 16.709 16.757 1.00 33.10 N +ATOM 518 N GLU A1103 28.834 14.485 14.619 1.00 11.94 N +ATOM 519 CA GLU A1103 30.172 15.067 14.927 1.00 11.93 C +ATOM 520 C GLU A1103 30.851 15.521 13.652 1.00 11.07 C +ATOM 521 O GLU A1103 31.549 16.519 13.641 1.00 9.83 O +ATOM 522 CB GLU A1103 31.051 14.080 15.657 1.00 12.68 C +ATOM 523 CG GLU A1103 30.499 13.919 17.087 1.00 16.01 C +ATOM 524 CD GLU A1103 31.133 12.804 17.885 1.00 16.05 C +ATOM 525 OE1 GLU A1103 32.094 12.158 17.410 1.00 19.02 O +ATOM 526 OE2 GLU A1103 30.616 12.555 19.023 1.00 20.16 O +ATOM 527 N TRP A1104 30.618 14.826 12.544 1.00 9.25 N +ATOM 528 CA TRP A1104 31.220 15.264 11.291 1.00 9.86 C +ATOM 529 C TRP A1104 30.736 16.648 10.885 1.00 10.03 C +ATOM 530 O TRP A1104 31.530 17.586 10.563 1.00 9.34 O +ATOM 531 CB TRP A1104 30.872 14.272 10.199 1.00 9.59 C +ATOM 532 CG TRP A1104 31.468 14.780 8.892 1.00 10.12 C +ATOM 533 CD1 TRP A1104 30.840 15.467 7.889 1.00 10.58 C +ATOM 534 CD2 TRP A1104 32.831 14.692 8.548 1.00 11.30 C +ATOM 535 NE1 TRP A1104 31.754 15.822 6.935 1.00 12.03 N +ATOM 536 CE2 TRP A1104 32.992 15.361 7.314 1.00 11.10 C +ATOM 537 CE3 TRP A1104 33.955 14.096 9.160 1.00 11.26 C +ATOM 538 CZ2 TRP A1104 34.234 15.462 6.668 1.00 12.56 C +ATOM 539 CZ3 TRP A1104 35.182 14.196 8.506 1.00 12.30 C +ATOM 540 CH2 TRP A1104 35.316 14.868 7.283 1.00 13.66 C +ATOM 541 N GLU A1105 29.423 16.817 10.913 1.00 11.12 N +ATOM 542 CA GLU A1105 28.866 18.060 10.564 1.00 11.73 C +ATOM 543 C GLU A1105 29.328 19.158 11.493 1.00 10.17 C +ATOM 544 O GLU A1105 29.613 20.287 11.045 1.00 10.03 O +ATOM 545 CB GLU A1105 27.353 17.935 10.500 1.00 16.17 C +ATOM 546 CG GLU A1105 26.983 17.019 9.272 1.00 21.37 C +ATOM 547 CD GLU A1105 25.463 16.900 9.042 1.00 25.33 C +ATOM 548 OE1 GLU A1105 25.040 17.175 7.904 1.00 24.25 O +ATOM 549 OE2 GLU A1105 24.729 16.544 10.002 1.00 29.57 O +ATOM 550 N GLU A1106 29.443 18.867 12.780 1.00 9.70 N +ATOM 551 CA GLU A1106 29.957 19.868 13.723 1.00 10.82 C +ATOM 552 C GLU A1106 31.409 20.205 13.415 1.00 8.54 C +ATOM 553 O GLU A1106 31.792 21.371 13.511 1.00 9.04 O +ATOM 554 CB GLU A1106 29.792 19.372 15.170 1.00 10.35 C +ATOM 555 CG GLU A1106 28.310 19.380 15.543 1.00 13.59 C +ATOM 556 CD GLU A1106 27.948 18.729 16.877 1.00 19.94 C +ATOM 557 OE1 GLU A1106 28.741 17.995 17.512 1.00 16.28 O +ATOM 558 OE2 GLU A1106 26.771 18.914 17.283 1.00 19.07 O +ATOM 559 N ALA A1107 32.232 19.229 13.027 1.00 6.53 N +ATOM 560 CA ALA A1107 33.627 19.541 12.653 1.00 7.34 C +ATOM 561 C ALA A1107 33.730 20.396 11.398 1.00 7.67 C +ATOM 562 O ALA A1107 34.564 21.322 11.322 1.00 7.25 O +ATOM 563 CB ALA A1107 34.370 18.270 12.436 1.00 7.66 C +ATOM 564 N MET A1108 32.841 20.173 10.442 1.00 7.10 N +ATOM 565 CA MET A1108 32.813 20.984 9.241 1.00 7.27 C +ATOM 566 C MET A1108 32.437 22.416 9.578 1.00 7.97 C +ATOM 567 O MET A1108 33.068 23.389 9.114 1.00 9.10 O +ATOM 568 CB MET A1108 31.781 20.409 8.286 1.00 9.45 C +ATOM 569 CG MET A1108 32.329 19.239 7.564 1.00 11.81 C +ATOM 570 SD MET A1108 33.469 19.565 6.067 1.00 8.02 S +ATOM 571 CE MET A1108 34.019 20.600 6.249 1.00 9.78 C +ATOM 572 N ALA A1109 31.450 22.616 10.465 1.00 8.30 N +ATOM 573 CA ALA A1109 31.048 23.985 10.816 1.00 8.36 C +ATOM 574 C ALA A1109 32.161 24.681 11.581 1.00 9.08 C +ATOM 575 O ALA A1109 32.394 25.879 11.422 1.00 10.47 O +ATOM 576 CB ALA A1109 29.740 23.958 11.710 1.00 9.92 C +ATOM 577 N LYS A1110 32.830 23.942 12.434 1.00 8.72 N +ATOM 578 CA LYS A1110 33.944 24.502 13.186 1.00 8.42 C +ATOM 579 C LYS A1110 35.096 24.923 12.253 1.00 9.26 C +ATOM 580 O LYS A1110 35.693 25.970 12.447 1.00 9.26 O +ATOM 581 CB LYS A1110 34.388 23.463 14.211 1.00 8.99 C +ATOM 582 CG LYS A1110 35.543 23.969 15.088 1.00 9.88 C +ATOM 583 CD LYS A1110 35.817 22.959 16.190 1.00 11.58 C +ATOM 584 CE LYS A1110 36.976 23.389 17.063 1.00 12.47 C +ATOM 585 NZ LYS A1110 37.404 22.253 17.920 1.00 15.03 N +ATOM 586 N ALA A1111 35.393 24.138 11.222 1.00 8.62 N +ATOM 587 CA ALA A1111 36.463 24.519 10.309 1.00 7.71 C +ATOM 588 C ALA A1111 36.067 25.800 9.610 1.00 10.54 C +ATOM 589 O ALA A1111 36.944 26.585 9.295 1.00 8.57 O +ATOM 590 CB ALA A1111 36.684 23.364 9.268 1.00 8.03 C +ATOM 591 N GLN A1112 34.771 26.029 9.360 1.00 11.09 N +ATOM 592 CA GLN A1112 34.349 27.282 8.728 1.00 12.29 C +ATOM 593 C GLN A1112 34.606 28.416 9.690 1.00 12.75 C +ATOM 594 O GLN A1112 34.948 29.529 9.288 1.00 14.75 O +ATOM 595 CB GLN A1112 32.870 27.288 8.412 1.00 17.52 C +ATOM 596 CG GLN A1112 32.567 28.442 7.530 1.00 23.24 C +ATOM 597 CD GLN A1112 32.024 27.914 6.280 1.00 26.99 C +ATOM 598 OE1 GLN A1112 30.823 27.829 6.116 1.00 30.04 O +ATOM 599 NE2 GLN A1112 32.896 27.471 5.407 1.00 29.98 N +ATOM 600 N GLU A1113 34.409 28.171 10.972 1.00 11.50 N +ATOM 601 CA GLU A1113 34.681 29.202 11.951 1.00 12.72 C +ATOM 602 C GLU A1113 36.169 29.536 12.040 1.00 11.46 C +ATOM 603 O GLU A1113 36.546 30.720 12.061 1.00 13.72 O +ATOM 604 CB GLU A1113 34.199 28.794 13.356 1.00 15.61 C +ATOM 605 CG GLU A1113 34.198 30.038 14.223 1.00 19.21 C +ATOM 606 CD GLU A1113 33.247 30.013 15.436 1.00 25.98 C +ATOM 607 OE1 GLU A1113 33.455 30.862 16.341 1.00 26.96 O +ATOM 608 OE2 GLU A1113 32.321 29.169 15.467 1.00 24.64 O +ATOM 609 N THR A1114 37.066 28.550 12.020 1.00 7.97 N +ATOM 610 CA THR A1114 38.522 28.826 12.180 1.00 7.07 C +ATOM 611 C THR A1114 39.156 29.229 10.827 1.00 6.69 C +ATOM 612 O THR A1114 40.238 29.886 10.809 1.00 8.49 O +ATOM 613 CB THR A1114 39.303 27.593 12.677 1.00 8.55 C +ATOM 614 OG1 THR A1114 39.256 26.571 11.674 1.00 8.10 O +ATOM 615 CG2 THR A1114 38.716 27.043 13.961 1.00 9.56 C +ATOM 616 N GLY A1115 38.548 28.793 9.717 1.00 6.78 N +ATOM 617 CA GLY A1115 39.144 29.049 8.417 1.00 7.65 C +ATOM 618 C GLY A1115 40.233 28.079 8.021 1.00 8.50 C +ATOM 619 O GLY A1115 40.918 28.285 7.001 1.00 6.95 O +ATOM 620 N HIS A1116 40.457 27.044 8.810 1.00 6.58 N +ATOM 621 CA HIS A1116 41.509 26.071 8.500 1.00 7.25 C +ATOM 622 C HIS A1116 40.934 24.688 8.346 1.00 8.13 C +ATOM 623 O HIS A1116 40.163 24.181 9.198 1.00 7.78 O +ATOM 624 CB HIS A1116 42.576 25.988 9.620 1.00 7.53 C +ATOM 625 CG HIS A1116 43.208 27.286 9.980 1.00 6.60 C +ATOM 626 ND1 HIS A1116 43.992 28.005 9.098 1.00 7.63 N +ATOM 627 CD2 HIS A1116 43.158 27.998 11.119 1.00 8.86 C +ATOM 628 CE1 HIS A1116 44.376 29.128 9.679 1.00 10.76 C +ATOM 629 NE2 HIS A1116 43.875 29.148 10.905 1.00 9.54 N +ATOM 630 N LEU A1117 41.251 24.082 7.229 1.00 7.13 N +ATOM 631 CA LEU A1117 40.766 22.758 6.956 1.00 8.87 C +ATOM 632 C LEU A1117 41.902 21.899 6.405 1.00 9.67 C +ATOM 633 O LEU A1117 42.284 22.077 5.258 1.00 12.37 O +ATOM 634 CB LEU A1117 39.620 22.945 5.965 1.00 12.08 C +ATOM 635 CG LEU A1117 38.754 21.779 5.616 1.00 13.45 C +ATOM 636 CD1 LEU A1117 38.076 21.177 6.844 1.00 11.98 C +ATOM 637 CD2 LEU A1117 37.726 22.332 4.608 1.00 12.62 C +ATOM 638 N VAL A1118 42.426 20.981 7.212 1.00 8.23 N +ATOM 639 CA VAL A1118 43.491 20.061 6.790 1.00 7.94 C +ATOM 640 C VAL A1118 42.758 18.735 6.550 1.00 7.49 C +ATOM 641 O VAL A1118 42.323 18.082 7.521 1.00 10.41 O +ATOM 642 CB VAL A1118 44.580 19.910 7.855 1.00 10.22 C +ATOM 643 CG1 VAL A1118 45.653 18.882 7.440 1.00 12.31 C +ATOM 644 CG2 VAL A1118 45.330 21.232 8.014 1.00 11.64 C +ATOM 645 N MET A1119 42.654 18.357 5.284 1.00 7.17 N +ATOM 646 CA MET A1119 41.866 17.180 4.900 1.00 8.36 C +ATOM 647 C MET A1119 42.674 15.986 4.559 1.00 7.39 C +ATOM 648 O MET A1119 43.619 16.124 3.772 1.00 9.75 O +ATOM 649 CB MET A1119 41.013 17.518 3.677 1.00 8.91 C +ATOM 650 CG MET A1119 40.197 18.862 3.718 1.00 11.44 C +ATOM 651 SD MET A1119 39.002 19.061 2.280 1.00 8.90 S +ATOM 652 CE MET A1119 38.843 17.239 1.954 1.00 1.75 C +ATOM 653 N ASP A1120 42.379 14.849 5.137 1.00 6.40 N +ATOM 654 CA ASP A1120 43.073 13.629 4.709 1.00 6.91 C +ATOM 655 C ASP A1120 42.145 12.986 3.694 1.00 7.08 C +ATOM 656 O ASP A1120 40.959 12.775 4.013 1.00 7.33 O +ATOM 657 CB ASP A1120 43.303 12.694 5.887 1.00 8.01 C +ATOM 658 CG ASP A1120 44.392 13.163 6.780 1.00 16.08 C +ATOM 659 OD1 ASP A1120 45.063 14.109 6.399 1.00 18.42 O +ATOM 660 OD2 ASP A1120 44.580 12.559 7.841 1.00 21.36 O +ATOM 661 N VAL A1121 42.592 12.799 2.468 1.00 6.63 N +ATOM 662 CA VAL A1121 41.804 12.208 1.422 1.00 8.06 C +ATOM 663 C VAL A1121 42.497 11.041 0.778 1.00 7.74 C +ATOM 664 O VAL A1121 43.709 10.830 0.913 1.00 8.34 O +ATOM 665 CB VAL A1121 41.407 13.263 0.305 1.00 9.75 C +ATOM 666 CG1 VAL A1121 40.813 14.527 0.938 1.00 10.03 C +ATOM 667 CG2 VAL A1121 42.569 13.613 -0.562 1.00 10.90 C +ATOM 668 N ARG A1122 41.720 10.254 0.065 1.00 7.84 N +ATOM 669 CA ARG A1122 42.200 9.100 -0.712 1.00 7.79 C +ATOM 670 C ARG A1122 41.754 9.400 -2.131 1.00 8.42 C +ATOM 671 O ARG A1122 40.558 9.559 -2.425 1.00 8.58 O +ATOM 672 CB ARG A1122 41.541 7.825 -0.191 1.00 10.55 C +ATOM 673 CG ARG A1122 41.965 6.578 -0.900 1.00 14.91 C +ATOM 674 CD ARG A1122 41.795 5.381 0.023 1.00 19.65 C +ATOM 675 NE ARG A1122 42.081 5.801 1.387 1.00 28.90 N +ATOM 676 CZ ARG A1122 42.647 5.060 2.329 1.00 30.77 C +ATOM 677 NH1 ARG A1122 43.017 3.819 2.068 1.00 33.60 N +ATOM 678 NH2 ARG A1122 42.816 5.565 3.551 1.00 34.23 N +ATOM 679 N ARG A1123 42.706 9.440 -3.048 1.00 7.39 N +ATOM 680 CA ARG A1123 42.485 9.739 -4.454 1.00 7.91 C +ATOM 681 C ARG A1123 42.710 8.488 -5.258 1.00 12.26 C +ATOM 682 O ARG A1123 43.787 7.876 -5.179 1.00 11.57 O +ATOM 683 CB ARG A1123 43.435 10.852 -4.892 1.00 8.75 C +ATOM 684 CG ARG A1123 43.206 11.251 -6.357 1.00 8.91 C +ATOM 685 CD ARG A1123 43.925 12.528 -6.741 1.00 9.24 C +ATOM 686 NE ARG A1123 43.378 13.654 -5.977 1.00 9.42 N +ATOM 687 CZ ARG A1123 43.971 14.844 -5.825 1.00 8.89 C +ATOM 688 NH1 ARG A1123 45.180 15.082 -6.383 1.00 11.34 N +ATOM 689 NH2 ARG A1123 43.363 15.797 -5.119 1.00 7.69 N +ATOM 690 N TYR A1124 41.690 8.093 -6.016 1.00 15.01 N +ATOM 691 CA TYR A1124 41.848 6.851 -6.760 1.00 21.39 C +ATOM 692 C TYR A1124 42.373 7.135 -8.152 1.00 23.05 C +ATOM 693 O TYR A1124 41.983 8.107 -8.793 1.00 24.53 O +ATOM 694 CB TYR A1124 40.497 6.108 -6.766 1.00 19.34 C +ATOM 695 CG TYR A1124 40.016 5.693 -5.365 1.00 22.80 C +ATOM 696 CD1 TYR A1124 40.287 4.416 -4.838 1.00 20.69 C +ATOM 697 CD2 TYR A1124 39.320 6.611 -4.543 1.00 23.82 C +ATOM 698 CE1 TYR A1124 39.858 4.072 -3.530 1.00 23.31 C +ATOM 699 CE2 TYR A1124 38.911 6.285 -3.267 1.00 26.13 C +ATOM 700 CZ TYR A1124 39.164 5.026 -2.762 1.00 26.83 C +ATOM 701 OH TYR A1124 38.645 4.756 -1.526 1.00 28.88 O +ATOM 702 N GLY A1125 43.296 6.302 -8.624 1.00 27.45 N +ATOM 703 CA GLY A1125 43.851 6.527 -9.947 1.00 28.62 C +ATOM 704 C GLY A1125 43.137 5.753 -11.050 1.00 31.65 C +ATOM 705 O GLY A1125 42.228 6.379 -11.663 1.00 32.01 O Added: SwiftApps/modFTdock/input/indata/2frg-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2frg-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2frg-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,806 @@ +ATOM 1 N GLY P 20 7.737 13.548 23.486 1.00 12.65 N +ATOM 2 CA GLY P 20 6.669 13.824 24.477 1.00 11.14 C +ATOM 3 C GLY P 20 5.786 15.001 24.126 1.00 9.66 C +ATOM 4 O GLY P 20 5.450 15.226 22.961 1.00 10.79 O +ATOM 5 N SER P 21 5.393 15.712 25.166 1.00 8.52 N +ATOM 6 CA SER P 21 4.353 16.728 25.057 1.00 8.08 C +ATOM 7 C SER P 21 4.890 18.079 24.616 1.00 7.03 C +ATOM 8 O SER P 21 4.141 18.873 24.036 1.00 7.25 O +ATOM 9 CB SER P 21 3.612 16.861 26.384 1.00 8.20 C +ATOM 10 OG SER P 21 4.465 17.410 27.374 1.00 9.64 O +ATOM 11 N LEU P 22 6.161 18.358 24.909 1.00 6.49 N +ATOM 12 CA LEU P 22 6.705 19.700 24.718 1.00 6.93 C +ATOM 13 C LEU P 22 7.701 19.693 23.556 1.00 7.02 C +ATOM 14 O LEU P 22 8.298 18.658 23.250 1.00 7.28 O +ATOM 15 CB LEU P 22 7.369 20.206 26.030 1.00 9.02 C +ATOM 16 CG LEU P 22 6.420 20.601 27.141 1.00 8.59 C +ATOM 17 CD1 LEU P 22 7.182 20.621 28.459 1.00 10.83 C +ATOM 18 CD2 LEU P 22 5.814 21.952 26.823 1.00 10.38 C +ATOM 19 N PRO P 23 7.953 20.871 22.952 1.00 6.57 N +ATOM 20 CA PRO P 23 9.068 20.982 22.012 1.00 6.76 C +ATOM 21 C PRO P 23 10.378 20.975 22.792 1.00 6.74 C +ATOM 22 O PRO P 23 10.374 21.039 24.022 1.00 6.64 O +ATOM 23 CB PRO P 23 8.858 22.382 21.412 1.00 7.43 C +ATOM 24 CG PRO P 23 8.208 23.156 22.536 1.00 7.53 C +ATOM 25 CD PRO P 23 7.307 22.177 23.221 1.00 7.29 C +ATOM 26 N GLU P 24 11.495 20.918 22.076 1.00 6.80 N +ATOM 27 CA GLU P 24 12.766 21.313 22.645 1.00 6.94 C +ATOM 28 C GLU P 24 12.648 22.788 22.974 1.00 7.18 C +ATOM 29 O GLU P 24 12.097 23.551 22.172 1.00 9.13 O +ATOM 30 CB GLU P 24 13.855 21.035 21.618 1.00 6.88 C +ATOM 31 CG GLU P 24 15.237 21.505 22.061 1.00 7.02 C +ATOM 32 CD GLU P 24 16.354 21.162 21.086 1.00 8.00 C +ATOM 33 OE1 GLU P 24 16.124 20.518 20.045 1.00 7.93 O +ATOM 34 OE2 GLU P 24 17.492 21.528 21.416 1.00 9.05 O +ATOM 35 N VAL P 25 13.066 23.170 24.178 1.00 6.80 N +ATOM 36 CA VAL P 25 12.915 24.543 24.653 1.00 7.04 C +ATOM 37 C VAL P 25 14.294 25.153 24.836 1.00 6.91 C +ATOM 38 O VAL P 25 15.095 24.657 25.627 1.00 7.48 O +ATOM 39 CB VAL P 25 12.107 24.611 25.963 1.00 7.24 C +ATOM 40 CG1 VAL P 25 11.971 26.066 26.408 1.00 8.81 C +ATOM 41 CG2 VAL P 25 10.722 23.998 25.756 1.00 8.81 C +ATOM 42 N LEU P 26 14.558 26.234 24.098 1.00 7.14 N +ATOM 43 CA LEU P 26 15.845 26.906 24.111 1.00 8.05 C +ATOM 44 C LEU P 26 15.699 28.339 24.513 1.00 8.84 C +ATOM 45 O LEU P 26 14.729 28.989 24.152 1.00 9.00 O +ATOM 46 CB LEU P 26 16.455 26.886 22.721 1.00 8.72 C +ATOM 47 CG LEU P 26 16.674 25.499 22.129 1.00 9.39 C +ATOM 48 CD1 LEU P 26 17.243 25.599 20.713 1.00 12.51 C +ATOM 49 CD2 LEU P 26 17.523 24.613 23.047 1.00 13.49 C +ATOM 50 N GLN P 27 16.707 28.821 25.243 1.00 9.76 N +ATOM 51 CA GLN P 27 16.872 30.230 25.604 1.00 10.31 C +ATOM 52 C GLN P 27 18.242 30.698 25.128 1.00 11.03 C +ATOM 53 O GLN P 27 19.258 30.073 25.455 1.00 12.42 O +ATOM 54 CB GLN P 27 16.861 30.366 27.120 1.00 10.91 C +ATOM 55 CG GLN P 27 15.649 29.814 27.776 1.00 13.42 C +ATOM 56 CD GLN P 27 14.436 30.668 27.553 1.00 12.12 C +ATOM 57 OE1 GLN P 27 14.541 31.867 27.236 1.00 14.73 O +ATOM 58 NE2 GLN P 27 13.265 30.082 27.753 1.00 14.22 N +ATOM 59 N ALA P 28 18.288 31.804 24.388 1.00 10.62 N +ATOM 60 CA ALA P 28 19.563 32.297 23.870 1.00 10.98 C +ATOM 61 C ALA P 28 19.555 33.814 23.811 1.00 10.21 C +ATOM 62 O ALA P 28 18.574 34.421 23.397 1.00 10.13 O +ATOM 63 CB ALA P 28 19.817 31.719 22.482 1.00 12.28 C +ATOM 64 N PRO P 29 20.666 34.458 24.206 1.00 10.39 N +ATOM 65 CA PRO P 29 20.745 35.893 23.963 1.00 10.96 C +ATOM 66 C PRO P 29 21.034 36.172 22.501 1.00 9.64 C +ATOM 67 O PRO P 29 21.497 35.299 21.776 1.00 9.13 O +ATOM 68 CB PRO P 29 21.904 36.339 24.851 1.00 11.70 C +ATOM 69 CG PRO P 29 22.763 35.157 25.005 1.00 13.28 C +ATOM 70 CD PRO P 29 21.864 33.931 24.891 1.00 11.74 C +ATOM 71 N VAL P 30 20.753 37.398 22.085 1.00 9.22 N +ATOM 72 CA VAL P 30 21.108 37.839 20.745 1.00 9.13 C +ATOM 73 C VAL P 30 22.622 37.644 20.579 1.00 8.37 C +ATOM 74 O VAL P 30 23.410 37.904 21.501 1.00 8.40 O +ATOM 75 CB VAL P 30 20.699 39.325 20.518 1.00 8.98 C +ATOM 76 CG1 VAL P 30 21.274 39.854 19.212 1.00 10.59 C +ATOM 77 CG2 VAL P 30 19.183 39.474 20.539 1.00 10.61 C +ATOM 78 N GLY P 31 23.005 37.141 19.414 1.00 8.55 N +ATOM 79 CA GLY P 31 24.409 36.919 19.069 1.00 9.62 C +ATOM 80 C GLY P 31 24.907 35.525 19.363 1.00 9.71 C +ATOM 81 O GLY P 31 26.024 35.179 18.982 1.00 10.59 O +ATOM 82 N SER P 32 24.108 34.715 20.046 1.00 9.30 N +ATOM 83 CA SER P 32 24.561 33.374 20.354 1.00 9.53 C +ATOM 84 C SER P 32 24.230 32.423 19.224 1.00 8.71 C +ATOM 85 O SER P 32 23.496 32.775 18.294 1.00 9.33 O +ATOM 86 CB SER P 32 23.950 32.918 21.656 1.00 10.97 C +ATOM 87 OG SER P 32 22.571 32.729 21.471 1.00 15.46 O +ATOM 88 N SER P 33 24.798 31.224 19.319 1.00 8.00 N +ATOM 89 CA SER P 33 24.592 30.201 18.312 1.00 8.15 C +ATOM 90 C SER P 33 24.100 28.920 18.964 1.00 8.04 C +ATOM 91 O SER P 33 24.396 28.653 20.137 1.00 8.71 O +ATOM 92 CB SER P 33 25.887 29.927 17.549 1.00 8.54 C +ATOM 93 OG SER P 33 26.323 31.079 16.840 1.00 8.67 O +ATOM 94 N ILE P 34 23.365 28.127 18.190 1.00 7.68 N +ATOM 95 CA ILE P 34 22.794 26.880 18.678 1.00 7.94 C +ATOM 96 C ILE P 34 23.011 25.773 17.649 1.00 7.06 C +ATOM 97 O ILE P 34 23.112 26.019 16.447 1.00 6.79 O +ATOM 98 CB ILE P 34 21.286 27.015 18.999 1.00 8.28 C +ATOM 99 CG1 ILE P 34 20.476 27.457 17.777 1.00 10.71 C +ATOM 100 CG2 ILE P 34 21.069 27.960 20.208 1.00 10.76 C +ATOM 101 CD1 ILE P 34 18.967 27.376 17.970 1.00 11.85 C +ATOM 102 N LEU P 35 23.090 24.546 18.160 1.00 6.76 N +ATOM 103 CA LEU P 35 23.067 23.320 17.353 1.00 6.95 C +ATOM 104 C LEU P 35 21.906 22.457 17.792 1.00 6.90 C +ATOM 105 O LEU P 35 21.749 22.202 18.996 1.00 8.51 O +ATOM 106 CB LEU P 35 24.368 22.538 17.551 1.00 7.56 C +ATOM 107 CG LEU P 35 25.623 23.261 17.051 1.00 6.66 C +ATOM 108 CD1 LEU P 35 26.870 22.469 17.441 1.00 9.04 C +ATOM 109 CD2 LEU P 35 25.578 23.433 15.560 1.00 8.43 C +ATOM 110 N VAL P 36 21.076 22.047 16.831 1.00 7.15 N +ATOM 111 CA VAL P 36 19.910 21.207 17.095 1.00 7.53 C +ATOM 112 C VAL P 36 20.063 19.957 16.233 1.00 6.98 C +ATOM 113 O VAL P 36 20.514 20.034 15.095 1.00 7.41 O +ATOM 114 CB VAL P 36 18.619 21.960 16.723 1.00 8.02 C +ATOM 115 CG1 VAL P 36 17.429 20.998 16.510 1.00 8.66 C +ATOM 116 CG2 VAL P 36 18.281 22.989 17.802 1.00 9.27 C +ATOM 117 N GLN P 37 19.689 18.808 16.775 1.00 6.91 N +ATOM 118 CA GLN P 37 19.747 17.566 16.014 1.00 7.62 C +ATOM 119 C GLN P 37 18.352 16.999 15.928 1.00 7.40 C +ATOM 120 O GLN P 37 17.653 16.813 16.933 1.00 9.56 O +ATOM 121 CB GLN P 37 20.666 16.576 16.695 1.00 8.28 C +ATOM 122 CG GLN P 37 20.912 17.004 18.147 1.00 15.27 C +ATOM 123 CD GLN P 37 22.181 17.881 18.475 1.00 13.36 C +ATOM 124 OE1 GLN P 37 22.633 17.756 19.584 1.00 20.90 O +ATOM 125 NE2 GLN P 37 22.694 18.809 17.563 1.00 9.67 N +ATOM 126 N CYS P 38 17.937 16.756 14.702 1.00 6.95 N +ATOM 127 CA CYS P 38 16.702 16.069 14.443 1.00 7.29 C +ATOM 128 C CYS P 38 17.074 14.685 13.926 1.00 7.75 C +ATOM 129 O CYS P 38 18.159 14.495 13.370 1.00 8.83 O +ATOM 130 CB CYS P 38 15.883 16.831 13.409 1.00 7.15 C +ATOM 131 SG CYS P 38 15.346 18.445 14.048 1.00 8.15 S +ATOM 132 N HIS P 39 16.178 13.721 14.084 1.00 8.33 N +ATOM 133 CA HIS P 39 16.487 12.335 13.779 1.00 8.91 C +ATOM 134 C HIS P 39 15.368 11.781 12.931 1.00 9.14 C +ATOM 135 O HIS P 39 14.178 12.061 13.175 1.00 10.31 O +ATOM 136 CB HIS P 39 16.652 11.533 15.073 1.00 9.24 C +ATOM 137 CG HIS P 39 17.663 12.127 16.007 1.00 9.45 C +ATOM 138 ND1 HIS P 39 17.308 12.794 17.155 1.00 11.07 N +ATOM 139 CD2 HIS P 39 19.017 12.187 15.942 1.00 10.32 C +ATOM 140 CE1 HIS P 39 18.398 13.216 17.776 1.00 11.65 C +ATOM 141 NE2 HIS P 39 19.447 12.869 17.056 1.00 10.44 N +ATOM 142 N TYR P 40 15.741 11.011 11.913 1.00 9.49 N +ATOM 143 CA TYR P 40 14.756 10.388 11.047 1.00 9.92 C +ATOM 144 C TYR P 40 15.103 8.911 10.874 1.00 10.49 C +ATOM 145 O TYR P 40 16.199 8.464 11.231 1.00 10.86 O +ATOM 146 CB TYR P 40 14.658 11.127 9.694 1.00 9.44 C +ATOM 147 CG TYR P 40 15.944 11.083 8.905 1.00 8.31 C +ATOM 148 CD1 TYR P 40 16.900 12.096 9.017 1.00 8.44 C +ATOM 149 CD2 TYR P 40 16.239 9.983 8.101 1.00 9.49 C +ATOM 150 CE1 TYR P 40 18.091 12.030 8.306 1.00 8.83 C +ATOM 151 CE2 TYR P 40 17.433 9.895 7.404 1.00 9.25 C +ATOM 152 CZ TYR P 40 18.346 10.927 7.494 1.00 8.95 C +ATOM 153 OH TYR P 40 19.529 10.806 6.806 1.00 9.49 O +ATOM 154 N ARG P 41 14.145 8.151 10.353 1.00 11.45 N +ATOM 155 CA ARG P 41 14.289 6.699 10.215 1.00 13.98 C +ATOM 156 C ARG P 41 15.236 6.348 9.065 1.00 14.05 C +ATOM 157 O ARG P 41 15.249 7.023 8.033 1.00 13.15 O +ATOM 158 CB ARG P 41 12.911 6.057 9.964 1.00 15.04 C +ATOM 159 CG ARG P 41 11.908 6.258 11.094 1.00 17.67 C +ATOM 160 CD ARG P 41 10.514 5.675 10.803 1.00 18.73 C +ATOM 161 NE ARG P 41 9.516 6.226 11.724 1.00 26.62 N +ATOM 162 CZ ARG P 41 8.238 5.847 11.808 1.00 28.73 C +ATOM 163 NH1 ARG P 41 7.747 4.890 11.020 1.00 31.23 N +ATOM 164 NH2 ARG P 41 7.439 6.432 12.696 1.00 31.07 N +ATOM 165 N LEU P 42 15.993 5.259 9.219 1.00 14.68 N +ATOM 166 CA LEU P 42 16.924 4.835 8.166 1.00 16.56 C +ATOM 167 C LEU P 42 16.231 4.595 6.826 1.00 16.58 C +ATOM 168 O LEU P 42 16.808 4.846 5.768 1.00 18.04 O +ATOM 169 CB LEU P 42 17.692 3.588 8.589 1.00 16.68 C +ATOM 170 CG LEU P 42 18.856 3.836 9.538 1.00 19.40 C +ATOM 171 CD1 LEU P 42 19.407 2.526 10.063 1.00 21.00 C +ATOM 172 CD2 LEU P 42 19.951 4.640 8.815 1.00 20.70 C +ATOM 173 N GLN P 43 14.978 4.153 6.889 1.00 16.43 N +ATOM 174 CA GLN P 43 14.139 3.933 5.710 1.00 16.47 C +ATOM 175 C GLN P 43 13.974 5.208 4.879 1.00 15.54 C +ATOM 176 O GLN P 43 13.640 5.138 3.690 1.00 16.66 O +ATOM 177 CB GLN P 43 12.752 3.397 6.127 1.00 16.42 C +ATOM 178 CG GLN P 43 12.708 1.932 6.603 1.00 18.58 C +ATOM 179 CD GLN P 43 12.927 1.749 8.109 1.00 19.15 C +ATOM 180 OE1 GLN P 43 12.797 0.639 8.624 1.00 22.65 O +ATOM 181 NE2 GLN P 43 13.264 2.823 8.812 1.00 18.07 N +ATOM 182 N ASP P 44 14.222 6.360 5.507 1.00 14.43 N +ATOM 183 CA ASP P 44 13.937 7.664 4.919 1.00 12.87 C +ATOM 184 C ASP P 44 15.189 8.456 4.512 1.00 12.22 C +ATOM 185 O ASP P 44 15.104 9.659 4.300 1.00 11.33 O +ATOM 186 CB ASP P 44 13.062 8.470 5.893 1.00 13.20 C +ATOM 187 CG ASP P 44 11.678 7.861 6.084 1.00 13.63 C +ATOM 188 OD1 ASP P 44 11.086 8.090 7.150 1.00 14.27 O +ATOM 189 OD2 ASP P 44 11.186 7.170 5.171 1.00 16.80 O +ATOM 190 N VAL P 45 16.341 7.800 4.378 1.00 12.72 N +ATOM 191 CA VAL P 45 17.534 8.514 3.933 1.00 13.33 C +ATOM 192 C VAL P 45 17.322 9.239 2.598 1.00 12.36 C +ATOM 193 O VAL P 45 17.775 10.372 2.435 1.00 12.19 O +ATOM 194 CB VAL P 45 18.787 7.582 3.858 1.00 13.87 C +ATOM 195 CG1 VAL P 45 19.926 8.221 3.048 1.00 15.40 C +ATOM 196 CG2 VAL P 45 19.275 7.239 5.255 1.00 15.56 C +ATOM 197 N LYS P 46 16.610 8.601 1.665 1.00 11.73 N +ATOM 198 CA LYS P 46 16.421 9.172 0.326 1.00 12.30 C +ATOM 199 C LYS P 46 15.384 10.288 0.270 1.00 11.23 C +ATOM 200 O LYS P 46 15.347 11.049 -0.699 1.00 12.10 O +ATOM 201 CB LYS P 46 16.044 8.091 -0.688 1.00 14.05 C +ATOM 202 CG LYS P 46 17.054 6.971 -0.804 1.00 16.22 C +ATOM 203 CD LYS P 46 16.792 6.103 -2.024 1.00 22.46 C +ATOM 204 CE LYS P 46 17.834 6.349 -3.102 1.00 25.81 C +ATOM 205 NZ LYS P 46 19.199 5.946 -2.645 1.00 28.23 N +ATOM 206 N ALA P 47 14.538 10.391 1.289 1.00 9.08 N +ATOM 207 CA ALA P 47 13.509 11.431 1.307 1.00 8.71 C +ATOM 208 C ALA P 47 14.119 12.789 1.597 1.00 7.59 C +ATOM 209 O ALA P 47 15.084 12.883 2.361 1.00 8.54 O +ATOM 210 CB ALA P 47 12.505 11.102 2.376 1.00 9.05 C +ATOM 211 N GLN P 48 13.535 13.859 1.061 1.00 7.26 N +ATOM 212 CA GLN P 48 13.923 15.175 1.542 1.00 7.69 C +ATOM 213 C GLN P 48 13.346 15.416 2.932 1.00 7.14 C +ATOM 214 O GLN P 48 12.256 14.936 3.274 1.00 7.10 O +ATOM 215 CB GLN P 48 13.560 16.315 0.573 1.00 8.72 C +ATOM 216 CG GLN P 48 12.074 16.654 0.530 1.00 8.69 C +ATOM 217 CD GLN P 48 11.744 17.916 -0.261 1.00 8.89 C +ATOM 218 OE1 GLN P 48 10.653 18.488 -0.131 1.00 11.12 O +ATOM 219 NE2 GLN P 48 12.644 18.320 -1.125 1.00 11.42 N +ATOM 220 N LYS P 49 14.106 16.165 3.709 1.00 6.51 N +ATOM 221 CA LYS P 49 13.651 16.663 4.991 1.00 6.65 C +ATOM 222 C LYS P 49 13.588 18.165 4.893 1.00 6.49 C +ATOM 223 O LYS P 49 14.146 18.747 3.970 1.00 7.08 O +ATOM 224 CB LYS P 49 14.548 16.203 6.151 1.00 7.30 C +ATOM 225 CG LYS P 49 14.573 14.692 6.358 1.00 9.51 C +ATOM 226 CD LYS P 49 15.710 14.063 5.512 1.00 11.33 C +ATOM 227 CE LYS P 49 15.645 12.556 5.525 1.00 11.17 C +ATOM 228 NZ LYS P 49 16.622 12.123 4.521 1.00 8.55 N +ATOM 229 N VAL P 50 12.863 18.793 5.814 1.00 6.66 N +ATOM 230 CA VAL P 50 12.579 20.214 5.725 1.00 7.54 C +ATOM 231 C VAL P 50 12.699 20.841 7.107 1.00 7.39 C +ATOM 232 O VAL P 50 12.288 20.260 8.109 1.00 7.91 O +ATOM 233 CB VAL P 50 11.139 20.424 5.136 1.00 8.45 C +ATOM 234 CG1 VAL P 50 10.716 21.877 5.153 1.00 10.10 C +ATOM 235 CG2 VAL P 50 11.060 19.859 3.696 1.00 10.62 C +ATOM 236 N TRP P 51 13.269 22.042 7.154 1.00 5.97 N +ATOM 237 CA TRP P 51 13.220 22.909 8.341 1.00 6.72 C +ATOM 238 C TRP P 51 12.172 23.960 8.053 1.00 6.61 C +ATOM 239 O TRP P 51 12.192 24.594 6.989 1.00 6.90 O +ATOM 240 CB TRP P 51 14.569 23.581 8.522 1.00 7.64 C +ATOM 241 CG TRP P 51 14.685 24.582 9.643 1.00 7.43 C +ATOM 242 CD1 TRP P 51 14.814 25.928 9.497 1.00 8.46 C +ATOM 243 CD2 TRP P 51 14.746 24.324 11.055 1.00 7.92 C +ATOM 244 NE1 TRP P 51 14.942 26.535 10.735 1.00 8.48 N +ATOM 245 CE2 TRP P 51 14.928 25.567 11.704 1.00 8.00 C +ATOM 246 CE3 TRP P 51 14.662 23.165 11.832 1.00 7.76 C +ATOM 247 CZ2 TRP P 51 15.029 25.687 13.082 1.00 8.03 C +ATOM 248 CZ3 TRP P 51 14.771 23.282 13.226 1.00 8.54 C +ATOM 249 CH2 TRP P 51 14.961 24.538 13.829 1.00 8.88 C +ATOM 250 N CYS P 52 11.229 24.104 8.973 1.00 6.95 N +ATOM 251 CA CYS P 52 10.097 24.992 8.772 1.00 6.69 C +ATOM 252 C CYS P 52 9.840 25.827 9.996 1.00 6.25 C +ATOM 253 O CYS P 52 10.256 25.482 11.104 1.00 6.67 O +ATOM 254 CB CYS P 52 8.831 24.209 8.391 1.00 7.24 C +ATOM 255 SG CYS P 52 8.251 22.980 9.604 1.00 8.98 S +ATOM 256 N ARG P 53 9.175 26.962 9.790 1.00 6.44 N +ATOM 257 CA ARG P 53 8.813 27.848 10.888 1.00 6.96 C +ATOM 258 C ARG P 53 7.318 27.830 11.109 1.00 6.69 C +ATOM 259 O ARG P 53 6.553 28.054 10.175 1.00 6.92 O +ATOM 260 CB ARG P 53 9.285 29.271 10.580 1.00 7.53 C +ATOM 261 CG ARG P 53 9.083 30.239 11.730 1.00 8.34 C +ATOM 262 CD ARG P 53 9.739 31.565 11.421 1.00 10.75 C +ATOM 263 NE ARG P 53 9.802 32.402 12.613 1.00 10.51 N +ATOM 264 CZ ARG P 53 10.632 33.434 12.762 1.00 10.48 C +ATOM 265 NH1 ARG P 53 11.469 33.775 11.790 1.00 11.00 N +ATOM 266 NH2 ARG P 53 10.632 34.120 13.888 1.00 12.18 N +ATOM 267 N PHE P 54 6.886 27.598 12.348 1.00 6.60 N +ATOM 268 CA PHE P 54 5.455 27.620 12.664 1.00 6.93 C +ATOM 269 C PHE P 54 4.924 29.037 12.633 1.00 7.49 C +ATOM 270 O PHE P 54 5.341 29.898 13.408 1.00 8.56 O +ATOM 271 CB PHE P 54 5.167 26.961 14.009 1.00 7.33 C +ATOM 272 CG PHE P 54 5.324 25.471 14.004 1.00 6.45 C +ATOM 273 CD1 PHE P 54 6.443 24.852 14.558 1.00 7.90 C +ATOM 274 CD2 PHE P 54 4.323 24.674 13.440 1.00 8.36 C +ATOM 275 CE1 PHE P 54 6.548 23.457 14.564 1.00 8.19 C +ATOM 276 CE2 PHE P 54 4.431 23.290 13.433 1.00 7.89 C +ATOM 277 CZ PHE P 54 5.541 22.683 14.024 1.00 9.24 C +ATOM 278 N LEU P 55 3.989 29.260 11.728 1.00 7.75 N +ATOM 279 CA LEU P 55 3.338 30.544 11.539 1.00 9.44 C +ATOM 280 C LEU P 55 1.821 30.285 11.635 1.00 9.74 C +ATOM 281 O LEU P 55 1.402 29.131 11.692 1.00 9.51 O +ATOM 282 CB LEU P 55 3.765 31.114 10.173 1.00 10.65 C +ATOM 283 CG LEU P 55 5.249 31.504 10.029 1.00 13.08 C +ATOM 284 CD1 LEU P 55 5.541 31.975 8.622 1.00 15.62 C +ATOM 285 CD2 LEU P 55 5.690 32.548 11.052 1.00 15.77 C +ATOM 286 N PRO P 56 0.989 31.341 11.694 1.00 10.42 N +ATOM 287 CA PRO P 56 -0.464 31.088 11.853 1.00 11.29 C +ATOM 288 C PRO P 56 -1.070 30.120 10.836 1.00 11.43 C +ATOM 289 O PRO P 56 -1.981 29.364 11.174 1.00 12.50 O +ATOM 290 CB PRO P 56 -1.079 32.493 11.747 1.00 11.77 C +ATOM 291 CG PRO P 56 -0.016 33.375 12.247 1.00 12.56 C +ATOM 292 CD PRO P 56 1.283 32.789 11.745 1.00 11.35 C +ATOM 293 N GLU P 57 -0.549 30.093 9.613 1.00 11.27 N +ATOM 294 CA GLU P 57 -1.100 29.177 8.596 1.00 12.37 C +ATOM 295 C GLU P 57 -0.645 27.712 8.724 1.00 11.08 C +ATOM 296 O GLU P 57 -1.378 26.798 8.312 1.00 10.85 O +ATOM 297 CB GLU P 57 -0.817 29.705 7.183 1.00 13.72 C +ATOM 298 CG GLU P 57 -1.311 28.826 6.013 1.00 17.42 C +ATOM 299 CD GLU P 57 -2.826 28.579 5.985 1.00 21.72 C +ATOM 300 OE1 GLU P 57 -3.605 29.406 6.525 1.00 24.14 O +ATOM 301 OE2 GLU P 57 -3.237 27.548 5.401 1.00 23.18 O +ATOM 302 N GLY P 58 0.551 27.493 9.268 1.00 9.45 N +ATOM 303 CA GLY P 58 1.158 26.171 9.271 1.00 9.07 C +ATOM 304 C GLY P 58 2.658 26.311 9.400 1.00 7.88 C +ATOM 305 O GLY P 58 3.183 27.422 9.591 1.00 8.60 O +ATOM 306 N CYS P 59 3.351 25.186 9.340 1.00 8.07 N +ATOM 307 CA CYS P 59 4.806 25.189 9.430 1.00 8.30 C +ATOM 308 C CYS P 59 5.362 25.491 8.052 1.00 8.15 C +ATOM 309 O CYS P 59 5.374 24.620 7.176 1.00 9.58 O +ATOM 310 CB CYS P 59 5.312 23.849 9.970 1.00 8.44 C +ATOM 311 SG CYS P 59 6.953 24.019 10.795 1.00 8.54 S +ATOM 312 N GLN P 60 5.802 26.732 7.879 1.00 7.75 N +ATOM 313 CA GLN P 60 6.240 27.258 6.580 1.00 8.77 C +ATOM 314 C GLN P 60 7.616 26.709 6.226 1.00 7.21 C +ATOM 315 O GLN P 60 8.565 26.968 6.950 1.00 7.01 O +ATOM 316 CB GLN P 60 6.324 28.793 6.663 1.00 8.87 C +ATOM 317 CG GLN P 60 6.844 29.462 5.393 1.00 14.40 C +ATOM 318 CD GLN P 60 5.746 29.855 4.414 1.00 20.48 C +ATOM 319 OE1 GLN P 60 4.585 29.441 4.546 1.00 24.04 O +ATOM 320 NE2 GLN P 60 6.105 30.669 3.428 1.00 24.17 N +ATOM 321 N PRO P 61 7.745 25.953 5.119 1.00 7.66 N +ATOM 322 CA PRO P 61 9.074 25.443 4.772 1.00 8.70 C +ATOM 323 C PRO P 61 10.087 26.541 4.479 1.00 8.13 C +ATOM 324 O PRO P 61 9.788 27.470 3.727 1.00 9.17 O +ATOM 325 CB PRO P 61 8.802 24.619 3.509 1.00 9.19 C +ATOM 326 CG PRO P 61 7.357 24.253 3.603 1.00 11.60 C +ATOM 327 CD PRO P 61 6.715 25.471 4.182 1.00 9.34 C +ATOM 328 N LEU P 62 11.272 26.426 5.071 1.00 7.56 N +ATOM 329 CA LEU P 62 12.353 27.393 4.845 1.00 7.28 C +ATOM 330 C LEU P 62 13.451 26.808 3.972 1.00 7.44 C +ATOM 331 O LEU P 62 13.997 27.509 3.117 1.00 8.70 O +ATOM 332 CB LEU P 62 12.946 27.879 6.177 1.00 7.90 C +ATOM 333 CG LEU P 62 11.959 28.556 7.135 1.00 9.57 C +ATOM 334 CD1 LEU P 62 12.610 28.887 8.467 1.00 10.06 C +ATOM 335 CD2 LEU P 62 11.329 29.797 6.513 1.00 13.13 C +ATOM 336 N VAL P 63 13.755 25.515 4.131 1.00 6.75 N +ATOM 337 CA VAL P 63 14.768 24.872 3.306 1.00 7.40 C +ATOM 338 C VAL P 63 14.568 23.374 3.355 1.00 7.19 C +ATOM 339 O VAL P 63 14.114 22.834 4.383 1.00 7.34 O +ATOM 340 CB VAL P 63 16.203 25.290 3.744 1.00 8.00 C +ATOM 341 CG1 VAL P 63 16.544 24.723 5.139 1.00 10.77 C +ATOM 342 CG2 VAL P 63 17.237 24.933 2.661 1.00 10.54 C +ATOM 343 N SER P 64 14.892 22.709 2.251 1.00 6.68 N +ATOM 344 CA SER P 64 14.901 21.261 2.232 1.00 7.26 C +ATOM 345 C SER P 64 16.340 20.735 2.192 1.00 6.90 C +ATOM 346 O SER P 64 17.282 21.445 1.832 1.00 7.55 O +ATOM 347 CB SER P 64 14.076 20.707 1.073 1.00 9.42 C +ATOM 348 OG SER P 64 14.585 21.139 -0.153 1.00 9.51 O +ATOM 349 N SER P 65 16.491 19.467 2.544 1.00 6.22 N +ATOM 350 CA SER P 65 17.793 18.855 2.721 1.00 6.80 C +ATOM 351 C SER P 65 18.290 18.107 1.510 1.00 7.08 C +ATOM 352 O SER P 65 17.521 17.730 0.627 1.00 7.54 O +ATOM 353 CB SER P 65 17.721 17.904 3.925 1.00 7.00 C +ATOM 354 OG SER P 65 16.900 16.780 3.623 1.00 7.89 O +ATOM 355 N ALA P 66 19.596 17.887 1.495 1.00 6.55 N +ATOM 356 CA ALA P 66 20.269 17.003 0.536 1.00 7.93 C +ATOM 357 C ALA P 66 21.422 16.355 1.266 1.00 7.76 C +ATOM 358 O ALA P 66 22.118 17.011 2.050 1.00 7.41 O +ATOM 359 CB ALA P 66 20.750 17.771 -0.674 1.00 9.73 C +ATOM 360 N VAL P 67 21.620 15.055 1.043 1.00 8.68 N +ATOM 361 CA VAL P 67 22.597 14.312 1.832 1.00 8.86 C +ATOM 362 C VAL P 67 24.000 14.902 1.661 1.00 7.56 C +ATOM 363 O VAL P 67 24.494 15.099 0.534 1.00 8.02 O +ATOM 364 CB VAL P 67 22.581 12.813 1.493 1.00 9.93 C +ATOM 365 CG1 VAL P 67 23.728 12.104 2.193 1.00 11.96 C +ATOM 366 CG2 VAL P 67 21.248 12.199 1.913 1.00 12.55 C +ATOM 367 N ASP P 68 24.604 15.203 2.812 1.00 7.59 N +ATOM 368 CA ASP P 68 25.946 15.758 2.978 1.00 7.72 C +ATOM 369 C ASP P 68 26.088 17.214 2.621 1.00 7.30 C +ATOM 370 O ASP P 68 27.184 17.761 2.717 1.00 8.35 O +ATOM 371 CB ASP P 68 27.030 14.921 2.290 1.00 9.27 C +ATOM 372 CG ASP P 68 28.261 14.753 3.165 1.00 10.15 C +ATOM 373 OD1 ASP P 68 28.167 14.957 4.391 1.00 12.14 O +ATOM 374 OD2 ASP P 68 29.324 14.407 2.628 1.00 15.24 O +ATOM 375 N ARG P 69 24.989 17.860 2.248 1.00 7.00 N +ATOM 376 CA ARG P 69 25.041 19.252 1.846 1.00 7.33 C +ATOM 377 C ARG P 69 24.547 20.135 2.982 1.00 7.25 C +ATOM 378 O ARG P 69 23.520 19.858 3.613 1.00 7.62 O +ATOM 379 CB ARG P 69 24.141 19.480 0.621 1.00 7.64 C +ATOM 380 CG ARG P 69 24.399 18.581 -0.566 1.00 9.96 C +ATOM 381 CD ARG P 69 25.824 18.732 -1.004 1.00 11.09 C +ATOM 382 NE ARG P 69 26.179 18.077 -2.274 1.00 11.79 N +ATOM 383 CZ ARG P 69 26.479 16.780 -2.422 1.00 10.89 C +ATOM 384 NH1 ARG P 69 26.426 15.933 -1.392 1.00 12.92 N +ATOM 385 NH2 ARG P 69 26.887 16.338 -3.609 1.00 11.27 N +ATOM 386 N ARG P 70 25.272 21.228 3.204 1.00 6.84 N +ATOM 387 CA ARG P 70 24.845 22.232 4.169 1.00 7.55 C +ATOM 388 C ARG P 70 23.921 23.194 3.427 1.00 7.77 C +ATOM 389 O ARG P 70 24.379 24.006 2.637 1.00 9.62 O +ATOM 390 CB ARG P 70 26.071 22.949 4.739 1.00 7.50 C +ATOM 391 CG ARG P 70 25.758 23.898 5.895 1.00 8.33 C +ATOM 392 CD ARG P 70 27.066 24.493 6.423 1.00 8.82 C +ATOM 393 NE ARG P 70 26.925 25.222 7.688 1.00 8.72 N +ATOM 394 CZ ARG P 70 27.170 26.513 7.849 1.00 11.12 C +ATOM 395 NH1 ARG P 70 27.451 27.285 6.812 1.00 11.81 N +ATOM 396 NH2 ARG P 70 27.090 27.042 9.063 1.00 12.93 N +ATOM 397 N ALA P 71 22.628 23.079 3.699 1.00 7.67 N +ATOM 398 CA ALA P 71 21.611 23.813 2.963 1.00 7.98 C +ATOM 399 C ALA P 71 21.183 25.067 3.726 1.00 7.78 C +ATOM 400 O ALA P 71 20.681 24.979 4.848 1.00 7.46 O +ATOM 401 CB ALA P 71 20.421 22.903 2.730 1.00 7.15 C +ATOM 402 N PRO P 72 21.384 26.261 3.137 1.00 8.34 N +ATOM 403 CA PRO P 72 21.025 27.471 3.881 1.00 10.01 C +ATOM 404 C PRO P 72 19.543 27.826 3.853 1.00 10.58 C +ATOM 405 O PRO P 72 18.865 27.703 2.831 1.00 11.46 O +ATOM 406 CB PRO P 72 21.833 28.585 3.176 1.00 11.02 C +ATOM 407 CG PRO P 72 22.712 27.904 2.228 1.00 13.62 C +ATOM 408 CD PRO P 72 22.079 26.589 1.883 1.00 9.51 C +ATOM 409 N ALA P 73 19.070 28.298 4.994 1.00 12.09 N +ATOM 410 CA ALA P 73 17.844 29.072 5.042 1.00 14.73 C +ATOM 411 C ALA P 73 18.233 30.473 5.525 1.00 15.18 C +ATOM 412 O ALA P 73 19.054 30.615 6.443 1.00 17.94 O +ATOM 413 CB ALA P 73 16.867 28.425 5.985 1.00 15.01 C +ATOM 414 N GLY P 74 17.629 31.508 4.961 1.00 18.28 N +ATOM 415 CA GLY P 74 17.956 32.864 5.373 1.00 19.11 C +ATOM 416 C GLY P 74 19.453 33.099 5.337 1.00 19.81 C +ATOM 417 O GLY P 74 20.128 32.684 4.405 1.00 21.17 O +ATOM 418 N ARG P 75 19.973 33.762 6.365 1.00 18.89 N +ATOM 419 CA ARG P 75 21.396 34.110 6.435 1.00 18.28 C +ATOM 420 C ARG P 75 22.120 33.381 7.563 1.00 17.18 C +ATOM 421 O ARG P 75 23.357 33.326 7.612 1.00 17.57 O +ATOM 422 CB ARG P 75 21.535 35.616 6.656 1.00 19.48 C +ATOM 423 CG ARG P 75 20.961 36.441 5.531 1.00 23.02 C +ATOM 424 CD ARG P 75 20.404 37.749 6.035 1.00 28.14 C +ATOM 425 NE ARG P 75 19.437 38.295 5.084 1.00 31.58 N +ATOM 426 CZ ARG P 75 18.742 39.413 5.268 1.00 32.99 C +ATOM 427 NH1 ARG P 75 18.897 40.135 6.372 1.00 34.13 N +ATOM 428 NH2 ARG P 75 17.889 39.812 4.338 1.00 34.45 N +ATOM 429 N ARG P 76 21.344 32.814 8.478 1.00 14.52 N +ATOM 430 CA ARG P 76 21.924 32.331 9.708 1.00 14.16 C +ATOM 431 C ARG P 76 21.538 30.914 10.093 1.00 12.03 C +ATOM 432 O ARG P 76 21.945 30.448 11.132 1.00 11.38 O +ATOM 433 CB ARG P 76 21.614 33.337 10.814 1.00 14.98 C +ATOM 434 CG ARG P 76 22.481 34.611 10.687 1.00 18.12 C +ATOM 435 CD ARG P 76 22.030 35.784 11.524 1.00 19.05 C +ATOM 436 NE ARG P 76 20.737 36.283 11.083 1.00 23.98 N +ATOM 437 CZ ARG P 76 19.592 35.972 11.676 1.00 21.64 C +ATOM 438 NH1 ARG P 76 19.607 35.182 12.733 1.00 25.49 N +ATOM 439 NH2 ARG P 76 18.442 36.460 11.220 1.00 24.04 N +ATOM 440 N THR P 77 20.790 30.235 9.230 1.00 10.39 N +ATOM 441 CA THR P 77 20.312 28.892 9.517 1.00 10.26 C +ATOM 442 C THR P 77 20.777 27.960 8.422 1.00 9.15 C +ATOM 443 O THR P 77 20.751 28.304 7.232 1.00 10.24 O +ATOM 444 CB THR P 77 18.776 28.856 9.596 1.00 10.88 C +ATOM 445 OG1 THR P 77 18.344 29.706 10.659 1.00 14.39 O +ATOM 446 CG2 THR P 77 18.261 27.441 9.849 1.00 11.65 C +ATOM 447 N PHE P 78 21.167 26.767 8.837 1.00 7.86 N +ATOM 448 CA PHE P 78 21.681 25.747 7.923 1.00 7.85 C +ATOM 449 C PHE P 78 21.154 24.390 8.333 1.00 7.56 C +ATOM 450 O PHE P 78 21.106 24.061 9.524 1.00 8.30 O +ATOM 451 CB PHE P 78 23.213 25.769 7.883 1.00 8.87 C +ATOM 452 CG PHE P 78 23.752 27.118 7.562 1.00 10.26 C +ATOM 453 CD1 PHE P 78 24.013 28.030 8.578 1.00 10.73 C +ATOM 454 CD2 PHE P 78 23.942 27.503 6.247 1.00 11.88 C +ATOM 455 CE1 PHE P 78 24.478 29.300 8.290 1.00 12.99 C +ATOM 456 CE2 PHE P 78 24.413 28.768 5.957 1.00 14.00 C +ATOM 457 CZ PHE P 78 24.670 29.665 6.981 1.00 13.27 C +ATOM 458 N LEU P 79 20.755 23.607 7.338 1.00 6.54 N +ATOM 459 CA LEU P 79 20.227 22.268 7.511 1.00 7.17 C +ATOM 460 C LEU P 79 21.098 21.267 6.783 1.00 6.80 C +ATOM 461 O LEU P 79 21.206 21.347 5.556 1.00 6.60 O +ATOM 462 CB LEU P 79 18.806 22.205 6.962 1.00 7.44 C +ATOM 463 CG LEU P 79 18.088 20.863 7.100 1.00 8.03 C +ATOM 464 CD1 LEU P 79 17.772 20.597 8.565 1.00 9.99 C +ATOM 465 CD2 LEU P 79 16.793 20.847 6.274 1.00 8.50 C +ATOM 466 N THR P 80 21.692 20.321 7.522 1.00 6.77 N +ATOM 467 CA THR P 80 22.575 19.315 6.913 1.00 6.83 C +ATOM 468 C THR P 80 22.105 17.912 7.234 1.00 6.57 C +ATOM 469 O THR P 80 22.149 17.499 8.382 1.00 7.34 O +ATOM 470 CB THR P 80 24.036 19.484 7.388 1.00 6.82 C +ATOM 471 OG1 THR P 80 24.458 20.847 7.230 1.00 7.32 O +ATOM 472 CG2 THR P 80 24.989 18.596 6.585 1.00 6.91 C +ATOM 473 N ASP P 81 21.686 17.159 6.214 1.00 6.52 N +ATOM 474 CA ASP P 81 21.392 15.740 6.391 1.00 6.84 C +ATOM 475 C ASP P 81 22.717 14.991 6.280 1.00 7.15 C +ATOM 476 O ASP P 81 23.346 14.986 5.213 1.00 7.76 O +ATOM 477 CB ASP P 81 20.392 15.280 5.319 1.00 6.61 C +ATOM 478 CG ASP P 81 19.996 13.829 5.465 1.00 7.56 C +ATOM 479 OD1 ASP P 81 20.576 13.123 6.329 1.00 7.61 O +ATOM 480 OD2 ASP P 81 19.105 13.407 4.695 1.00 9.12 O +ATOM 481 N LEU P 82 23.191 14.427 7.391 1.00 7.39 N +ATOM 482 CA LEU P 82 24.464 13.704 7.380 1.00 8.48 C +ATOM 483 C LEU P 82 24.336 12.328 6.788 1.00 9.71 C +ATOM 484 O LEU P 82 25.335 11.652 6.546 1.00 11.23 O +ATOM 485 CB LEU P 82 25.069 13.580 8.787 1.00 9.17 C +ATOM 486 CG LEU P 82 25.887 14.766 9.312 1.00 8.97 C +ATOM 487 CD1 LEU P 82 27.045 15.126 8.390 1.00 9.77 C +ATOM 488 CD2 LEU P 82 25.002 15.977 9.597 1.00 9.57 C +ATOM 489 N GLY P 83 23.103 11.908 6.537 1.00 9.48 N +ATOM 490 CA GLY P 83 22.857 10.498 6.266 1.00 11.53 C +ATOM 491 C GLY P 83 22.646 9.750 7.567 1.00 10.62 C +ATOM 492 O GLY P 83 22.806 10.294 8.665 1.00 11.67 O +ATOM 493 N GLY P 84 22.296 8.483 7.453 1.00 11.41 N +ATOM 494 CA GLY P 84 22.204 7.636 8.607 1.00 11.60 C +ATOM 495 C GLY P 84 21.216 8.033 9.676 1.00 11.30 C +ATOM 496 O GLY P 84 21.297 7.516 10.784 1.00 12.53 O +ATOM 497 N GLY P 85 20.304 8.960 9.378 1.00 10.06 N +ATOM 498 CA GLY P 85 19.294 9.337 10.360 1.00 9.30 C +ATOM 499 C GLY P 85 19.528 10.655 11.075 1.00 8.56 C +ATOM 500 O GLY P 85 18.677 11.069 11.842 1.00 9.41 O +ATOM 501 N LEU P 86 20.671 11.299 10.848 1.00 8.27 N +ATOM 502 CA LEU P 86 20.968 12.577 11.500 1.00 7.66 C +ATOM 503 C LEU P 86 20.710 13.772 10.592 1.00 6.78 C +ATOM 504 O LEU P 86 21.282 13.875 9.500 1.00 7.13 O +ATOM 505 CB LEU P 86 22.419 12.627 11.984 1.00 7.87 C +ATOM 506 CG LEU P 86 22.830 13.968 12.579 1.00 8.32 C +ATOM 507 CD1 LEU P 86 22.059 14.301 13.864 1.00 9.20 C +ATOM 508 CD2 LEU P 86 24.339 13.957 12.826 1.00 9.91 C +ATOM 509 N LEU P 87 19.862 14.672 11.076 1.00 6.37 N +ATOM 510 CA LEU P 87 19.597 15.962 10.468 1.00 7.81 C +ATOM 511 C LEU P 87 20.088 17.071 11.387 1.00 8.01 C +ATOM 512 O LEU P 87 19.435 17.372 12.387 1.00 10.23 O +ATOM 513 CB LEU P 87 18.094 16.084 10.180 1.00 9.22 C +ATOM 514 CG LEU P 87 17.550 17.211 9.289 1.00 10.25 C +ATOM 515 CD1 LEU P 87 18.098 17.143 7.852 1.00 10.49 C +ATOM 516 CD2 LEU P 87 15.997 17.163 9.319 1.00 9.68 C +ATOM 517 N GLN P 88 21.241 17.639 11.061 1.00 7.58 N +ATOM 518 CA GLN P 88 21.860 18.693 11.834 1.00 7.45 C +ATOM 519 C GLN P 88 21.295 20.062 11.467 1.00 8.08 C +ATOM 520 O GLN P 88 21.222 20.415 10.288 1.00 9.88 O +ATOM 521 CB GLN P 88 23.368 18.658 11.592 1.00 7.33 C +ATOM 522 CG GLN P 88 24.188 19.628 12.430 1.00 8.18 C +ATOM 523 CD GLN P 88 24.129 19.291 13.924 1.00 7.61 C +ATOM 524 OE1 GLN P 88 23.543 20.029 14.749 1.00 8.88 O +ATOM 525 NE2 GLN P 88 24.667 18.151 14.267 1.00 8.00 N +ATOM 526 N VAL P 89 20.889 20.817 12.474 1.00 7.04 N +ATOM 527 CA VAL P 89 20.482 22.188 12.293 1.00 7.23 C +ATOM 528 C VAL P 89 21.480 23.098 13.012 1.00 6.94 C +ATOM 529 O VAL P 89 21.937 22.798 14.119 1.00 6.94 O +ATOM 530 CB VAL P 89 19.057 22.395 12.852 1.00 7.92 C +ATOM 531 CG1 VAL P 89 18.606 23.842 12.711 1.00 10.35 C +ATOM 532 CG2 VAL P 89 18.066 21.467 12.158 1.00 9.45 C +ATOM 533 N GLU P 90 21.825 24.199 12.350 1.00 6.69 N +ATOM 534 CA GLU P 90 22.653 25.250 12.936 1.00 6.62 C +ATOM 535 C GLU P 90 21.900 26.557 12.829 1.00 7.36 C +ATOM 536 O GLU P 90 21.354 26.870 11.775 1.00 7.34 O +ATOM 537 CB GLU P 90 23.968 25.392 12.164 1.00 7.56 C +ATOM 538 CG GLU P 90 24.812 24.137 12.068 1.00 7.56 C +ATOM 539 CD GLU P 90 25.886 24.291 11.020 1.00 8.07 C +ATOM 540 OE1 GLU P 90 25.721 23.736 9.914 1.00 7.84 O +ATOM 541 OE2 GLU P 90 26.838 25.055 11.267 1.00 9.06 O +ATOM 542 N MET P 91 21.834 27.301 13.921 1.00 7.27 N +ATOM 543 CA MET P 91 21.372 28.685 13.835 1.00 9.73 C +ATOM 544 C MET P 91 22.420 29.523 14.520 1.00 9.13 C +ATOM 545 O MET P 91 22.749 29.324 15.696 1.00 9.54 O +ATOM 546 CB MET P 91 20.005 28.917 14.483 1.00 9.94 C +ATOM 547 CG MET P 91 18.883 28.130 13.813 1.00 12.68 C +ATOM 548 SD MET P 91 17.244 28.523 14.450 1.00 15.84 S +ATOM 549 CE MET P 91 17.066 30.243 13.959 1.00 17.52 C +ATOM 550 N VAL P 92 22.978 30.442 13.751 1.00 9.26 N +ATOM 551 CA VAL P 92 24.176 31.132 14.152 1.00 11.37 C +ATOM 552 C VAL P 92 23.915 32.605 14.369 1.00 11.54 C +ATOM 553 O VAL P 92 23.089 33.229 13.688 1.00 13.06 O +ATOM 554 CB VAL P 92 25.317 30.909 13.140 1.00 11.64 C +ATOM 555 CG1 VAL P 92 25.584 29.424 12.945 1.00 13.76 C +ATOM 556 CG2 VAL P 92 25.079 31.638 11.807 1.00 15.01 C +ATOM 557 N THR P 93 24.620 33.164 15.348 1.00 11.41 N +ATOM 558 CA THR P 93 24.530 34.587 15.660 1.00 12.29 C +ATOM 559 C THR P 93 23.075 35.096 15.641 1.00 11.46 C +ATOM 560 O THR P 93 22.687 35.960 14.859 1.00 11.88 O +ATOM 561 CB THR P 93 25.489 35.425 14.784 1.00 12.58 C +ATOM 562 OG1 THR P 93 25.059 35.422 13.424 1.00 16.89 O +ATOM 563 CG2 THR P 93 26.929 34.888 14.872 1.00 15.42 C +ATOM 564 N LEU P 94 22.304 34.558 16.576 1.00 10.64 N +ATOM 565 CA LEU P 94 20.858 34.753 16.599 1.00 10.42 C +ATOM 566 C LEU P 94 20.439 36.203 16.720 1.00 10.80 C +ATOM 567 O LEU P 94 21.076 37.000 17.423 1.00 11.12 O +ATOM 568 CB LEU P 94 20.250 33.940 17.735 1.00 10.66 C +ATOM 569 CG LEU P 94 20.285 32.430 17.535 1.00 11.08 C +ATOM 570 CD1 LEU P 94 20.012 31.700 18.845 1.00 12.45 C +ATOM 571 CD2 LEU P 94 19.277 32.042 16.477 1.00 11.18 C +ATOM 572 N GLN P 95 19.350 36.527 16.035 1.00 10.80 N +ATOM 573 CA GLN P 95 18.801 37.871 16.070 1.00 12.44 C +ATOM 574 C GLN P 95 17.422 37.812 16.734 1.00 11.93 C +ATOM 575 O GLN P 95 16.796 36.746 16.804 1.00 11.39 O +ATOM 576 CB GLN P 95 18.746 38.484 14.658 1.00 12.24 C +ATOM 577 CG GLN P 95 20.130 38.558 13.983 1.00 15.10 C +ATOM 578 CD GLN P 95 20.153 39.176 12.575 1.00 17.38 C +ATOM 579 OE1 GLN P 95 19.118 39.503 11.999 1.00 23.36 O +ATOM 580 NE2 GLN P 95 21.355 39.335 12.025 1.00 21.43 N +ATOM 581 N GLU P 96 16.951 38.953 17.228 1.00 12.90 N +ATOM 582 CA GLU P 96 15.682 39.017 17.953 1.00 14.32 C +ATOM 583 C GLU P 96 14.533 38.390 17.161 1.00 14.24 C +ATOM 584 O GLU P 96 13.694 37.662 17.706 1.00 14.08 O +ATOM 585 CB GLU P 96 15.340 40.474 18.253 1.00 15.05 C +ATOM 586 CG GLU P 96 14.513 40.647 19.519 1.00 19.71 C +ATOM 587 CD GLU P 96 14.406 42.099 19.962 1.00 22.24 C +ATOM 588 OE1 GLU P 96 14.426 43.001 19.093 1.00 24.33 O +ATOM 589 OE2 GLU P 96 14.288 42.333 21.179 1.00 26.40 O +ATOM 590 N GLU P 97 14.518 38.661 15.861 1.00 13.51 N +ATOM 591 CA GLU P 97 13.416 38.237 15.022 1.00 13.74 C +ATOM 592 C GLU P 97 13.410 36.735 14.783 1.00 12.85 C +ATOM 593 O GLU P 97 12.449 36.221 14.218 1.00 13.17 O +ATOM 594 CB GLU P 97 13.407 39.021 13.706 1.00 15.63 C +ATOM 595 CG GLU P 97 14.596 38.768 12.801 1.00 17.73 C +ATOM 596 CD GLU P 97 15.728 39.779 12.980 1.00 20.29 C +ATOM 597 OE1 GLU P 97 16.538 39.905 12.036 1.00 23.02 O +ATOM 598 OE2 GLU P 97 15.810 40.449 14.040 1.00 20.58 O +ATOM 599 N ASP P 98 14.466 36.031 15.190 1.00 11.57 N +ATOM 600 CA ASP P 98 14.510 34.572 15.070 1.00 10.93 C +ATOM 601 C ASP P 98 13.649 33.863 16.103 1.00 9.90 C +ATOM 602 O ASP P 98 13.424 32.665 15.973 1.00 10.48 O +ATOM 603 CB ASP P 98 15.952 34.060 15.169 1.00 11.19 C +ATOM 604 CG ASP P 98 16.838 34.605 14.070 1.00 12.79 C +ATOM 605 OD1 ASP P 98 16.308 34.928 12.975 1.00 15.02 O +ATOM 606 OD2 ASP P 98 18.063 34.717 14.299 1.00 12.39 O +ATOM 607 N ALA P 99 13.217 34.558 17.154 1.00 9.75 N +ATOM 608 CA ALA P 99 12.381 33.941 18.174 1.00 9.72 C +ATOM 609 C ALA P 99 11.120 33.355 17.556 1.00 9.81 C +ATOM 610 O ALA P 99 10.484 33.991 16.713 1.00 10.64 O +ATOM 611 CB ALA P 99 12.015 34.977 19.232 1.00 10.81 C +ATOM 612 N GLY P 100 10.747 32.155 17.986 1.00 8.84 N +ATOM 613 CA GLY P 100 9.546 31.494 17.481 1.00 8.73 C +ATOM 614 C GLY P 100 9.738 30.008 17.618 1.00 8.03 C +ATOM 615 O GLY P 100 10.684 29.542 18.266 1.00 9.93 O +ATOM 616 N GLU P 101 8.843 29.257 16.993 1.00 6.57 N +ATOM 617 CA GLU P 101 8.908 27.811 17.033 1.00 6.54 C +ATOM 618 C GLU P 101 9.091 27.280 15.612 1.00 6.12 C +ATOM 619 O GLU P 101 8.512 27.801 14.655 1.00 6.67 O +ATOM 620 CB GLU P 101 7.684 27.223 17.728 1.00 6.96 C +ATOM 621 CG GLU P 101 7.853 25.734 18.029 1.00 7.05 C +ATOM 622 CD GLU P 101 6.820 25.189 18.973 1.00 8.05 C +ATOM 623 OE1 GLU P 101 6.477 24.016 18.858 1.00 8.23 O +ATOM 624 OE2 GLU P 101 6.380 25.924 19.858 1.00 12.76 O +ATOM 625 N TYR P 102 9.895 26.223 15.511 1.00 5.49 N +ATOM 626 CA TYR P 102 10.326 25.636 14.255 1.00 5.71 C +ATOM 627 C TYR P 102 10.099 24.139 14.286 1.00 5.55 C +ATOM 628 O TYR P 102 9.958 23.557 15.359 1.00 6.09 O +ATOM 629 CB TYR P 102 11.817 25.897 14.052 1.00 6.44 C +ATOM 630 CG TYR P 102 12.172 27.368 13.952 1.00 6.25 C +ATOM 631 CD1 TYR P 102 12.308 27.985 12.727 1.00 7.11 C +ATOM 632 CD2 TYR P 102 12.361 28.143 15.097 1.00 6.80 C +ATOM 633 CE1 TYR P 102 12.629 29.339 12.643 1.00 7.39 C +ATOM 634 CE2 TYR P 102 12.678 29.491 15.018 1.00 7.36 C +ATOM 635 CZ TYR P 102 12.804 30.080 13.782 1.00 8.26 C +ATOM 636 OH TYR P 102 13.133 31.421 13.668 1.00 8.58 O +ATOM 637 N GLY P 103 10.072 23.511 13.108 1.00 6.17 N +ATOM 638 CA GLY P 103 9.974 22.073 13.020 1.00 6.86 C +ATOM 639 C GLY P 103 10.980 21.517 12.046 1.00 6.29 C +ATOM 640 O GLY P 103 11.414 22.177 11.104 1.00 6.86 O +ATOM 641 N CYS P 104 11.379 20.285 12.306 1.00 6.29 N +ATOM 642 CA CYS P 104 12.016 19.385 11.333 1.00 6.89 C +ATOM 643 C CYS P 104 10.949 18.434 10.866 1.00 6.11 C +ATOM 644 O CYS P 104 10.271 17.819 11.690 1.00 6.55 O +ATOM 645 CB CYS P 104 13.112 18.542 12.006 1.00 7.98 C +ATOM 646 SG CYS P 104 14.631 19.412 12.387 1.00 8.86 S +ATOM 647 N MET P 105 10.845 18.299 9.550 1.00 7.07 N +ATOM 648 CA MET P 105 9.898 17.366 8.943 1.00 8.44 C +ATOM 649 C MET P 105 10.600 16.423 7.989 1.00 7.02 C +ATOM 650 O MET P 105 11.618 16.766 7.369 1.00 7.82 O +ATOM 651 CB MET P 105 8.820 18.110 8.152 1.00 9.52 C +ATOM 652 CG MET P 105 7.974 19.076 8.934 1.00 12.51 C +ATOM 653 SD MET P 105 6.525 19.708 8.068 1.00 14.73 S +ATOM 654 CE MET P 105 7.318 20.477 6.695 1.00 16.30 C +ATOM 655 N VAL P 106 10.047 15.224 7.849 1.00 6.42 N +ATOM 656 CA VAL P 106 10.427 14.318 6.774 1.00 7.03 C +ATOM 657 C VAL P 106 9.301 14.322 5.761 1.00 5.98 C +ATOM 658 O VAL P 106 8.131 14.322 6.120 1.00 6.92 O +ATOM 659 CB VAL P 106 10.785 12.887 7.279 1.00 7.94 C +ATOM 660 CG1 VAL P 106 9.614 12.242 8.030 1.00 8.87 C +ATOM 661 CG2 VAL P 106 11.277 12.009 6.124 1.00 8.32 C +ATOM 662 N ASP P 107 9.666 14.353 4.482 1.00 7.12 N +ATOM 663 CA ASP P 107 8.692 14.527 3.417 1.00 7.21 C +ATOM 664 C ASP P 107 8.893 13.495 2.324 1.00 8.84 C +ATOM 665 O ASP P 107 9.107 13.867 1.173 1.00 9.91 O +ATOM 666 CB ASP P 107 8.799 15.951 2.844 1.00 8.68 C +ATOM 667 CG ASP P 107 7.751 16.252 1.795 1.00 9.56 C +ATOM 668 OD1 ASP P 107 8.056 17.002 0.844 1.00 10.04 O +ATOM 669 OD2 ASP P 107 6.618 15.751 1.949 1.00 9.71 O +ATOM 670 N GLY P 108 8.779 12.222 2.658 1.00 10.08 N +ATOM 671 CA GLY P 108 8.996 11.164 1.668 1.00 10.60 C +ATOM 672 C GLY P 108 7.722 10.520 1.185 1.00 10.98 C +ATOM 673 O GLY P 108 6.628 11.030 1.404 1.00 9.86 O +ATOM 674 N ALA P 109 7.864 9.372 0.532 1.00 12.55 N +ATOM 675 CA ALA P 109 6.751 8.810 -0.200 1.00 12.96 C +ATOM 676 C ALA P 109 5.598 8.310 0.665 1.00 13.00 C +ATOM 677 O ALA P 109 4.488 8.193 0.149 1.00 13.88 O +ATOM 678 CB ALA P 109 7.218 7.729 -1.166 1.00 14.15 C +ATOM 679 N ARG P 110 5.832 8.022 1.956 1.00 11.79 N +ATOM 680 CA ARG P 110 4.730 7.590 2.831 1.00 11.74 C +ATOM 681 C ARG P 110 4.039 8.739 3.552 1.00 10.62 C +ATOM 682 O ARG P 110 3.257 8.502 4.472 1.00 11.92 O +ATOM 683 CB ARG P 110 5.165 6.524 3.845 1.00 13.39 C +ATOM 684 CG ARG P 110 5.533 5.216 3.176 1.00 14.15 C +ATOM 685 CD ARG P 110 5.568 4.097 4.164 1.00 15.86 C +ATOM 686 NE ARG P 110 6.354 2.981 3.662 1.00 17.03 N +ATOM 687 CZ ARG P 110 5.848 1.940 3.014 1.00 13.28 C +ATOM 688 NH1 ARG P 110 6.659 0.986 2.590 1.00 15.22 N +ATOM 689 NH2 ARG P 110 4.536 1.853 2.786 1.00 12.29 N +ATOM 690 N GLY P 111 4.338 9.977 3.174 1.00 8.81 N +ATOM 691 CA GLY P 111 3.616 11.116 3.714 1.00 7.83 C +ATOM 692 C GLY P 111 4.446 11.845 4.754 1.00 6.98 C +ATOM 693 O GLY P 111 5.367 11.289 5.320 1.00 7.92 O +ATOM 694 N PRO P 112 4.139 13.114 4.974 1.00 6.89 N +ATOM 695 CA PRO P 112 4.997 13.947 5.813 1.00 7.15 C +ATOM 696 C PRO P 112 4.775 13.706 7.297 1.00 7.51 C +ATOM 697 O PRO P 112 3.663 13.400 7.740 1.00 7.27 O +ATOM 698 CB PRO P 112 4.566 15.359 5.421 1.00 8.11 C +ATOM 699 CG PRO P 112 3.117 15.225 5.058 1.00 8.48 C +ATOM 700 CD PRO P 112 3.018 13.868 4.384 1.00 7.99 C +ATOM 701 N GLN P 113 5.847 13.866 8.062 1.00 7.24 N +ATOM 702 CA GLN P 113 5.807 13.754 9.517 1.00 8.20 C +ATOM 703 C GLN P 113 6.650 14.851 10.137 1.00 7.88 C +ATOM 704 O GLN P 113 7.686 15.232 9.591 1.00 8.32 O +ATOM 705 CB GLN P 113 6.356 12.408 9.966 1.00 9.12 C +ATOM 706 CG GLN P 113 5.543 11.191 9.559 1.00 10.01 C +ATOM 707 CD GLN P 113 6.125 9.910 10.142 1.00 12.70 C +ATOM 708 OE1 GLN P 113 6.286 9.773 11.367 1.00 18.70 O +ATOM 709 NE2 GLN P 113 6.449 8.971 9.276 1.00 18.52 N +ATOM 710 N ILE P 114 6.208 15.330 11.285 1.00 7.11 N +ATOM 711 CA ILE P 114 7.007 16.235 12.073 1.00 7.51 C +ATOM 712 C ILE P 114 7.909 15.395 12.966 1.00 7.41 C +ATOM 713 O ILE P 114 7.441 14.616 13.774 1.00 9.08 O +ATOM 714 CB ILE P 114 6.117 17.183 12.909 1.00 7.91 C +ATOM 715 CG1 ILE P 114 5.292 18.061 11.971 1.00 9.30 C +ATOM 716 CG2 ILE P 114 6.967 18.038 13.855 1.00 9.21 C +ATOM 717 CD1 ILE P 114 5.973 19.359 11.521 1.00 18.61 C +ATOM 718 N LEU P 115 9.209 15.530 12.766 1.00 6.84 N +ATOM 719 CA LEU P 115 10.213 14.812 13.532 1.00 7.01 C +ATOM 720 C LEU P 115 10.463 15.406 14.911 1.00 6.82 C +ATOM 721 O LEU P 115 10.737 14.686 15.857 1.00 7.43 O +ATOM 722 CB LEU P 115 11.532 14.805 12.762 1.00 7.46 C +ATOM 723 CG LEU P 115 11.495 14.181 11.368 1.00 8.35 C +ATOM 724 CD1 LEU P 115 12.775 14.488 10.605 1.00 9.17 C +ATOM 725 CD2 LEU P 115 11.257 12.692 11.402 1.00 9.81 C +ATOM 726 N HIS P 116 10.407 16.731 15.005 1.00 6.25 N +ATOM 727 CA HIS P 116 10.893 17.439 16.198 1.00 5.91 C +ATOM 728 C HIS P 116 10.441 18.883 16.097 1.00 6.29 C +ATOM 729 O HIS P 116 10.376 19.436 14.991 1.00 6.88 O +ATOM 730 CB HIS P 116 12.440 17.384 16.173 1.00 6.81 C +ATOM 731 CG HIS P 116 13.103 17.895 17.404 1.00 6.91 C +ATOM 732 ND1 HIS P 116 12.968 17.290 18.627 1.00 8.49 N +ATOM 733 CD2 HIS P 116 13.949 18.932 17.581 1.00 6.71 C +ATOM 734 CE1 HIS P 116 13.689 17.943 19.519 1.00 7.85 C +ATOM 735 NE2 HIS P 116 14.313 18.926 18.903 1.00 6.98 N +ATOM 736 N ARG P 117 10.120 19.477 17.236 1.00 6.48 N +ATOM 737 CA ARG P 117 9.795 20.894 17.313 1.00 6.75 C +ATOM 738 C ARG P 117 10.829 21.586 18.200 1.00 6.24 C +ATOM 739 O ARG P 117 11.334 21.003 19.186 1.00 6.30 O +ATOM 740 CB ARG P 117 8.418 21.108 17.934 1.00 7.05 C +ATOM 741 CG ARG P 117 7.246 20.550 17.185 1.00 8.12 C +ATOM 742 CD ARG P 117 5.940 20.931 17.868 1.00 9.20 C +ATOM 743 NE ARG P 117 5.722 20.284 19.174 1.00 8.91 N +ATOM 744 CZ ARG P 117 5.199 20.847 20.266 1.00 8.09 C +ATOM 745 NH1 ARG P 117 4.887 22.139 20.297 1.00 7.47 N +ATOM 746 NH2 ARG P 117 4.959 20.102 21.331 1.00 8.57 N +ATOM 747 N VAL P 118 11.110 22.848 17.896 1.00 6.26 N +ATOM 748 CA VAL P 118 12.100 23.636 18.635 1.00 7.04 C +ATOM 749 C VAL P 118 11.490 24.993 18.959 1.00 6.67 C +ATOM 750 O VAL P 118 11.183 25.764 18.039 1.00 7.56 O +ATOM 751 CB VAL P 118 13.380 23.899 17.772 1.00 8.04 C +ATOM 752 CG1 VAL P 118 14.377 24.790 18.553 1.00 9.77 C +ATOM 753 CG2 VAL P 118 14.021 22.568 17.353 1.00 8.67 C +ATOM 754 N SER P 119 11.333 25.282 20.251 1.00 5.89 N +ATOM 755 CA SER P 119 10.886 26.594 20.682 1.00 6.68 C +ATOM 756 C SER P 119 12.110 27.443 21.019 1.00 6.93 C +ATOM 757 O SER P 119 12.857 27.114 21.959 1.00 7.93 O +ATOM 758 CB SER P 119 10.032 26.426 21.924 1.00 7.18 C +ATOM 759 OG SER P 119 9.746 27.683 22.518 1.00 9.03 O +ATOM 760 N LEU P 120 12.321 28.528 20.276 1.00 7.47 N +ATOM 761 CA LEU P 120 13.499 29.368 20.450 1.00 7.96 C +ATOM 762 C LEU P 120 13.058 30.684 21.051 1.00 8.60 C +ATOM 763 O LEU P 120 12.301 31.441 20.451 1.00 9.05 O +ATOM 764 CB LEU P 120 14.187 29.601 19.110 1.00 8.95 C +ATOM 765 CG LEU P 120 15.388 30.556 19.186 1.00 10.73 C +ATOM 766 CD1 LEU P 120 16.505 30.041 20.102 1.00 11.90 C +ATOM 767 CD2 LEU P 120 15.919 30.783 17.792 1.00 12.42 C +ATOM 768 N ASN P 121 13.554 30.932 22.255 1.00 9.12 N +ATOM 769 CA ASN P 121 13.243 32.109 23.006 1.00 10.37 C +ATOM 770 C ASN P 121 14.495 32.980 23.072 1.00 10.80 C +ATOM 771 O ASN P 121 15.555 32.510 23.477 1.00 11.31 O +ATOM 772 CB ASN P 121 12.733 31.631 24.364 1.00 11.43 C +ATOM 773 CG ASN P 121 11.553 30.637 24.209 1.00 13.01 C +ATOM 774 OD1 ASN P 121 10.420 31.082 24.008 1.00 16.66 O +ATOM 775 ND2 ASN P 121 11.817 29.286 24.233 1.00 12.88 N +ATOM 776 N ILE P 122 14.377 34.223 22.609 1.00 11.31 N +ATOM 777 CA ILE P 122 15.505 35.157 22.626 1.00 12.85 C +ATOM 778 C ILE P 122 15.435 36.015 23.884 1.00 13.35 C +ATOM 779 O ILE P 122 14.444 36.715 24.131 1.00 15.00 O +ATOM 780 CB ILE P 122 15.537 36.043 21.357 1.00 12.04 C +ATOM 781 CG1 ILE P 122 15.678 35.194 20.073 1.00 13.56 C +ATOM 782 CG2 ILE P 122 16.665 37.048 21.446 1.00 14.42 C +ATOM 783 CD1 ILE P 122 16.964 34.376 19.963 1.00 15.54 C +ATOM 784 N LEU P 123 16.490 35.949 24.689 1.00 14.06 N +ATOM 785 CA LEU P 123 16.508 36.612 25.986 1.00 15.51 C +ATOM 786 C LEU P 123 16.561 38.137 25.836 1.00 16.66 C +ATOM 787 O LEU P 123 17.184 38.649 24.896 1.00 15.95 O +ATOM 788 CB LEU P 123 17.673 36.095 26.834 1.00 15.58 C +ATOM 789 CG LEU P 123 17.597 34.616 27.264 1.00 16.94 C +ATOM 790 CD1 LEU P 123 18.953 34.118 27.714 1.00 20.05 C +ATOM 791 CD2 LEU P 123 16.541 34.365 28.345 1.00 19.66 C +ATOM 792 N PRO P 124 15.874 38.868 26.747 1.00 19.00 N +ATOM 793 CA PRO P 124 15.938 40.334 26.766 1.00 20.21 C +ATOM 794 C PRO P 124 17.358 40.822 27.041 1.00 20.68 C +ATOM 795 O PRO P 124 18.182 40.048 27.535 1.00 20.39 O +ATOM 796 CB PRO P 124 14.995 40.725 27.920 1.00 20.87 C +ATOM 797 CG PRO P 124 14.817 39.520 28.730 1.00 20.79 C +ATOM 798 CD PRO P 124 14.965 38.353 27.787 1.00 19.36 C +ATOM 799 N PRO P 125 17.657 42.096 26.716 1.00 22.37 N +ATOM 800 CA PRO P 125 19.009 42.592 26.947 1.00 23.17 C +ATOM 801 C PRO P 125 19.355 42.624 28.436 1.00 23.90 C +ATOM 802 O PRO P 125 18.489 42.837 29.295 1.00 24.69 O +ATOM 803 CB PRO P 125 18.969 44.015 26.373 1.00 23.47 C +ATOM 804 CG PRO P 125 17.537 44.385 26.371 1.00 23.01 C +ATOM 805 CD PRO P 125 16.790 43.127 26.114 1.00 22.22 C +ATOM 806 OXT PRO P 125 20.510 42.421 28.807 1.00 24.23 O Added: SwiftApps/modFTdock/input/indata/2g1l-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2g1l-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2g1l-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,814 @@ +ATOM 1 N SER A 497 26.212 -52.424 0.180 1.00 64.42 N +ATOM 2 CA SER A 497 25.752 -51.464 1.238 1.00 64.85 C +ATOM 3 C SER A 497 25.267 -50.153 0.587 1.00 63.23 C +ATOM 4 O SER A 497 25.253 -50.032 -0.658 1.00 61.65 O +ATOM 5 CB SER A 497 26.901 -51.179 2.252 1.00 67.42 C +ATOM 6 OG SER A 497 26.420 -50.787 3.545 1.00 66.56 O +ATOM 7 N THR A 498 24.857 -49.187 1.422 1.00 58.47 N +ATOM 8 CA THR A 498 24.674 -47.809 0.955 1.00 56.76 C +ATOM 9 C THR A 498 26.057 -47.220 0.681 1.00 56.45 C +ATOM 10 O THR A 498 27.048 -47.605 1.340 1.00 56.70 O +ATOM 11 CB THR A 498 23.975 -46.948 1.989 1.00 56.46 C +ATOM 12 OG1 THR A 498 22.894 -47.698 2.523 1.00 59.04 O +ATOM 13 CG2 THR A 498 23.448 -45.617 1.390 1.00 54.11 C +ATOM 14 N PRO A 499 26.146 -46.322 -0.317 1.00 51.75 N +ATOM 15 CA PRO A 499 27.356 -45.554 -0.475 1.00 47.42 C +ATOM 16 C PRO A 499 27.490 -44.506 0.626 1.00 43.08 C +ATOM 17 O PRO A 499 26.502 -43.889 1.015 1.00 40.45 O +ATOM 18 CB PRO A 499 27.158 -44.883 -1.831 1.00 48.42 C +ATOM 19 CG PRO A 499 26.008 -45.580 -2.454 1.00 49.03 C +ATOM 20 CD PRO A 499 25.162 -45.986 -1.356 1.00 49.14 C +ATOM 21 N HIS A 500 28.709 -44.314 1.122 1.00 41.34 N +ATOM 22 CA HIS A 500 28.983 -43.288 2.128 1.00 39.45 C +ATOM 23 C HIS A 500 29.882 -42.187 1.606 1.00 37.68 C +ATOM 24 O HIS A 500 30.801 -42.439 0.836 1.00 35.57 O +ATOM 25 CB HIS A 500 29.689 -43.904 3.312 1.00 39.35 C +ATOM 26 CG HIS A 500 28.929 -44.999 3.961 1.00 37.73 C +ATOM 27 ND1 HIS A 500 28.810 -46.243 3.396 1.00 38.55 N +ATOM 28 CD2 HIS A 500 28.267 -45.048 5.138 1.00 38.29 C +ATOM 29 CE1 HIS A 500 28.087 -47.014 4.186 1.00 40.35 C +ATOM 30 NE2 HIS A 500 27.750 -46.314 5.255 1.00 39.80 N +ATOM 31 N LEU A 501 29.634 -40.966 2.061 1.00 38.18 N +ATOM 32 CA LEU A 501 30.569 -39.864 1.873 1.00 36.46 C +ATOM 33 C LEU A 501 31.132 -39.535 3.232 1.00 36.33 C +ATOM 34 O LEU A 501 30.413 -39.132 4.120 1.00 36.87 O +ATOM 35 CB LEU A 501 29.866 -38.663 1.285 1.00 35.56 C +ATOM 36 CG LEU A 501 30.777 -37.601 0.703 1.00 35.37 C +ATOM 37 CD1 LEU A 501 31.567 -38.151 -0.473 1.00 31.48 C +ATOM 38 CD2 LEU A 501 29.923 -36.415 0.304 1.00 34.18 C +ATOM 39 N VAL A 502 32.431 -39.725 3.382 1.00 38.52 N +ATOM 40 CA VAL A 502 33.094 -39.733 4.682 1.00 36.61 C +ATOM 41 C VAL A 502 34.003 -38.526 4.779 1.00 36.43 C +ATOM 42 O VAL A 502 34.755 -38.249 3.855 1.00 35.85 O +ATOM 43 CB VAL A 502 33.955 -41.004 4.802 1.00 36.42 C +ATOM 44 CG1 VAL A 502 34.891 -40.880 5.952 1.00 33.56 C +ATOM 45 CG2 VAL A 502 33.051 -42.247 4.930 1.00 37.33 C +ATOM 46 N ASN A 503 33.965 -37.825 5.902 1.00 37.99 N +ATOM 47 CA ASN A 503 34.699 -36.579 6.030 1.00 37.94 C +ATOM 48 C ASN A 503 36.141 -36.844 6.433 1.00 39.00 C +ATOM 49 O ASN A 503 36.390 -37.367 7.499 1.00 42.90 O +ATOM 50 CB ASN A 503 34.007 -35.682 7.044 1.00 37.04 C +ATOM 51 CG ASN A 503 34.636 -34.306 7.131 1.00 37.75 C +ATOM 52 OD1 ASN A 503 35.746 -34.090 6.649 1.00 37.07 O +ATOM 53 ND2 ASN A 503 33.929 -33.367 7.756 1.00 36.94 N +ATOM 54 N LEU A 504 37.099 -36.478 5.591 1.00 42.14 N +ATOM 55 CA LEU A 504 38.504 -36.763 5.902 1.00 44.60 C +ATOM 56 C LEU A 504 39.203 -35.615 6.625 1.00 47.46 C +ATOM 57 O LEU A 504 40.348 -35.766 7.006 1.00 46.81 O +ATOM 58 CB LEU A 504 39.298 -37.159 4.644 1.00 41.07 C +ATOM 59 CG LEU A 504 38.851 -38.431 3.913 1.00 40.13 C +ATOM 60 CD1 LEU A 504 39.733 -38.711 2.679 1.00 34.64 C +ATOM 61 CD2 LEU A 504 38.800 -39.625 4.845 1.00 35.58 C +ATOM 62 N ASN A 505 38.535 -34.484 6.846 1.00 53.32 N +ATOM 63 CA ASN A 505 39.200 -33.357 7.522 1.00 59.57 C +ATOM 64 C ASN A 505 39.672 -33.729 8.911 1.00 63.99 C +ATOM 65 O ASN A 505 38.921 -34.304 9.669 1.00 64.00 O +ATOM 66 CB ASN A 505 38.283 -32.138 7.606 1.00 61.39 C +ATOM 67 CG ASN A 505 38.104 -31.452 6.264 1.00 62.43 C +ATOM 68 OD1 ASN A 505 36.985 -31.142 5.858 1.00 61.87 O +ATOM 69 ND2 ASN A 505 39.216 -31.220 5.560 1.00 64.61 N +ATOM 70 N GLU A 506 40.924 -33.392 9.237 1.00 72.39 N +ATOM 71 CA GLU A 506 41.536 -33.773 10.533 1.00 75.84 C +ATOM 72 C GLU A 506 40.912 -33.040 11.724 1.00 78.44 C +ATOM 73 O GLU A 506 40.717 -33.629 12.780 1.00 77.77 O +ATOM 74 CB GLU A 506 43.056 -33.554 10.512 1.00 79.99 C +ATOM 75 CG GLU A 506 43.842 -34.662 9.759 1.00 84.20 C +ATOM 76 CD GLU A 506 44.156 -35.917 10.626 1.00 86.65 C +ATOM 77 OE1 GLU A 506 43.222 -36.631 11.072 1.00 85.90 O +ATOM 78 OE2 GLU A 506 45.358 -36.192 10.841 1.00 88.72 O +ATOM 79 N ASP A 507 40.598 -31.761 11.547 1.00 81.75 N +ATOM 80 CA ASP A 507 39.905 -30.985 12.577 1.00 84.08 C +ATOM 81 C ASP A 507 38.637 -30.406 11.996 1.00 84.90 C +ATOM 82 O ASP A 507 38.609 -29.245 11.595 1.00 86.15 O +ATOM 83 CB ASP A 507 40.795 -29.857 13.108 1.00 87.21 C +ATOM 84 CG ASP A 507 41.849 -30.355 14.068 1.00 88.63 C +ATOM 85 OD1 ASP A 507 43.040 -30.395 13.675 1.00 89.08 O +ATOM 86 OD2 ASP A 507 41.475 -30.720 15.209 1.00 90.06 O +ATOM 87 N PRO A 508 37.581 -31.217 11.931 1.00 84.50 N +ATOM 88 CA PRO A 508 36.316 -30.710 11.442 1.00 85.64 C +ATOM 89 C PRO A 508 35.641 -29.874 12.520 1.00 86.79 C +ATOM 90 O PRO A 508 35.753 -30.221 13.695 1.00 85.89 O +ATOM 91 CB PRO A 508 35.523 -31.985 11.166 1.00 84.15 C +ATOM 92 CG PRO A 508 36.087 -32.986 12.095 1.00 83.35 C +ATOM 93 CD PRO A 508 37.507 -32.636 12.320 1.00 83.41 C +ATOM 94 N LEU A 509 34.954 -28.790 12.140 1.00 88.73 N +ATOM 95 CA LEU A 509 34.220 -27.976 13.132 1.00 90.99 C +ATOM 96 C LEU A 509 33.075 -28.774 13.789 1.00 93.34 C +ATOM 97 O LEU A 509 32.637 -29.823 13.276 1.00 93.01 O +ATOM 98 CB LEU A 509 33.693 -26.644 12.538 1.00 90.35 C +ATOM 99 CG LEU A 509 34.294 -25.327 13.089 1.00 90.00 C +ATOM 100 CD1 LEU A 509 33.614 -24.118 12.440 1.00 88.20 C +ATOM 101 CD2 LEU A 509 34.205 -25.224 14.638 1.00 88.95 C +ATOM 102 N MET A 510 32.611 -28.274 14.934 1.00 95.78 N +ATOM 103 CA MET A 510 31.522 -28.911 15.683 1.00 96.56 C +ATOM 104 C MET A 510 30.246 -29.006 14.797 1.00 95.84 C +ATOM 105 O MET A 510 29.545 -30.026 14.790 1.00 95.65 O +ATOM 106 CB MET A 510 31.258 -28.130 16.993 1.00101.50 C +ATOM 107 CG MET A 510 30.843 -29.007 18.189 1.00104.94 C +ATOM 108 SD MET A 510 29.138 -29.708 18.048 1.00111.20 S +ATOM 109 CE MET A 510 28.093 -28.199 18.269 1.00107.38 C +ATOM 110 N SER A 511 29.989 -27.938 14.040 1.00 93.46 N +ATOM 111 CA SER A 511 28.873 -27.853 13.085 1.00 90.61 C +ATOM 112 C SER A 511 29.036 -28.766 11.862 1.00 88.05 C +ATOM 113 O SER A 511 28.055 -29.142 11.213 1.00 88.22 O +ATOM 114 CB SER A 511 28.767 -26.407 12.586 1.00 91.64 C +ATOM 115 OG SER A 511 30.002 -25.980 12.007 1.00 91.38 O +ATOM 116 N GLU A 512 30.289 -29.084 11.550 1.00 84.13 N +ATOM 117 CA GLU A 512 30.662 -29.832 10.356 1.00 79.99 C +ATOM 118 C GLU A 512 30.259 -31.301 10.478 1.00 75.88 C +ATOM 119 O GLU A 512 30.342 -31.904 11.554 1.00 77.28 O +ATOM 120 CB GLU A 512 32.177 -29.718 10.146 1.00 81.47 C +ATOM 121 CG GLU A 512 32.667 -29.998 8.738 1.00 82.33 C +ATOM 122 CD GLU A 512 34.156 -29.706 8.574 1.00 81.89 C +ATOM 123 OE1 GLU A 512 34.702 -28.897 9.365 1.00 82.17 O +ATOM 124 OE2 GLU A 512 34.777 -30.282 7.653 1.00 81.33 O +ATOM 125 N CYS A 513 29.862 -31.873 9.355 1.00 69.60 N +ATOM 126 CA CYS A 513 29.238 -33.166 9.335 1.00 62.75 C +ATOM 127 C CYS A 513 30.233 -34.234 8.907 1.00 54.34 C +ATOM 128 O CYS A 513 30.901 -34.106 7.894 1.00 51.17 O +ATOM 129 CB CYS A 513 28.088 -33.115 8.360 1.00 67.61 C +ATOM 130 SG CYS A 513 26.684 -34.117 8.807 1.00 77.05 S +ATOM 131 N LEU A 514 30.305 -35.305 9.675 1.00 48.04 N +ATOM 132 CA LEU A 514 31.375 -36.290 9.533 1.00 44.15 C +ATOM 133 C LEU A 514 31.097 -37.413 8.539 1.00 39.09 C +ATOM 134 O LEU A 514 32.028 -37.992 8.008 1.00 38.49 O +ATOM 135 CB LEU A 514 31.698 -36.894 10.895 1.00 39.32 C +ATOM 136 CG LEU A 514 32.223 -35.917 11.957 1.00 39.38 C +ATOM 137 CD1 LEU A 514 32.270 -36.586 13.322 1.00 36.00 C +ATOM 138 CD2 LEU A 514 33.602 -35.378 11.565 1.00 37.38 C +ATOM 139 N LEU A 515 29.832 -37.706 8.278 1.00 38.64 N +ATOM 140 CA LEU A 515 29.458 -38.832 7.434 1.00 40.29 C +ATOM 141 C LEU A 515 28.030 -38.686 6.914 1.00 38.77 C +ATOM 142 O LEU A 515 27.135 -38.411 7.682 1.00 36.48 O +ATOM 143 CB LEU A 515 29.586 -40.138 8.236 1.00 39.57 C +ATOM 144 CG LEU A 515 29.187 -41.456 7.568 1.00 39.87 C +ATOM 145 CD1 LEU A 515 29.841 -42.624 8.256 1.00 40.96 C +ATOM 146 CD2 LEU A 515 27.685 -41.640 7.582 1.00 42.38 C +ATOM 147 N TYR A 516 27.839 -38.883 5.613 1.00 40.97 N +ATOM 148 CA TYR A 516 26.517 -38.943 4.998 1.00 42.68 C +ATOM 149 C TYR A 516 26.402 -40.237 4.244 1.00 41.11 C +ATOM 150 O TYR A 516 27.353 -40.649 3.581 1.00 38.80 O +ATOM 151 CB TYR A 516 26.312 -37.846 3.964 1.00 49.83 C +ATOM 152 CG TYR A 516 26.715 -36.485 4.392 1.00 51.61 C +ATOM 153 CD1 TYR A 516 25.779 -35.597 4.922 1.00 53.60 C +ATOM 154 CD2 TYR A 516 28.032 -36.059 4.259 1.00 53.29 C +ATOM 155 CE1 TYR A 516 26.151 -34.307 5.326 1.00 52.54 C +ATOM 156 CE2 TYR A 516 28.418 -34.781 4.662 1.00 53.09 C +ATOM 157 CZ TYR A 516 27.470 -33.912 5.190 1.00 53.43 C +ATOM 158 OH TYR A 516 27.848 -32.647 5.573 1.00 54.36 O +ATOM 159 N HIS A 517 25.233 -40.866 4.324 1.00 40.02 N +ATOM 160 CA HIS A 517 24.881 -41.944 3.397 1.00 40.26 C +ATOM 161 C HIS A 517 24.291 -41.306 2.142 1.00 41.01 C +ATOM 162 O HIS A 517 23.481 -40.410 2.241 1.00 43.79 O +ATOM 163 CB HIS A 517 23.881 -42.906 4.024 1.00 33.84 C +ATOM 164 CG HIS A 517 24.464 -43.765 5.099 1.00 29.57 C +ATOM 165 ND1 HIS A 517 24.362 -43.450 6.431 1.00 30.27 N +ATOM 166 CD2 HIS A 517 25.146 -44.937 5.044 1.00 29.00 C +ATOM 167 CE1 HIS A 517 24.956 -44.387 7.156 1.00 29.22 C +ATOM 168 NE2 HIS A 517 25.438 -45.303 6.338 1.00 25.95 N +ATOM 169 N ILE A 518 24.723 -41.745 0.968 1.00 42.57 N +ATOM 170 CA ILE A 518 24.165 -41.238 -0.280 1.00 44.06 C +ATOM 171 C ILE A 518 22.999 -42.107 -0.720 1.00 45.85 C +ATOM 172 O ILE A 518 23.164 -43.259 -1.141 1.00 45.93 O +ATOM 173 CB ILE A 518 25.208 -41.165 -1.384 1.00 43.99 C +ATOM 174 CG1 ILE A 518 26.276 -40.158 -0.971 1.00 42.87 C +ATOM 175 CG2 ILE A 518 24.551 -40.774 -2.750 1.00 40.68 C +ATOM 176 CD1 ILE A 518 27.586 -40.460 -1.561 1.00 45.07 C +ATOM 177 N LYS A 519 21.817 -41.522 -0.619 1.00 48.81 N +ATOM 178 CA LYS A 519 20.585 -42.213 -0.914 1.00 49.89 C +ATOM 179 C LYS A 519 20.229 -42.167 -2.397 1.00 49.58 C +ATOM 180 O LYS A 519 20.765 -41.346 -3.162 1.00 47.56 O +ATOM 181 CB LYS A 519 19.475 -41.617 -0.058 1.00 54.05 C +ATOM 182 CG LYS A 519 19.590 -42.098 1.387 1.00 57.02 C +ATOM 183 CD LYS A 519 19.456 -40.978 2.399 1.00 59.12 C +ATOM 184 CE LYS A 519 19.887 -41.463 3.799 1.00 59.95 C +ATOM 185 NZ LYS A 519 20.005 -40.330 4.780 1.00 61.16 N +ATOM 186 N ASP A 520 19.342 -43.086 -2.785 1.00 47.65 N +ATOM 187 CA ASP A 520 18.814 -43.159 -4.130 1.00 44.62 C +ATOM 188 C ASP A 520 18.342 -41.768 -4.549 1.00 40.10 C +ATOM 189 O ASP A 520 17.806 -41.039 -3.754 1.00 39.63 O +ATOM 190 CB ASP A 520 17.670 -44.162 -4.183 1.00 47.21 C +ATOM 191 CG ASP A 520 17.189 -44.425 -5.605 1.00 52.20 C +ATOM 192 OD1 ASP A 520 18.022 -44.842 -6.462 1.00 57.02 O +ATOM 193 OD2 ASP A 520 15.979 -44.212 -5.876 1.00 54.90 O +ATOM 194 N GLY A 521 18.598 -41.378 -5.783 1.00 37.76 N +ATOM 195 CA GLY A 521 18.220 -40.042 -6.235 1.00 39.12 C +ATOM 196 C GLY A 521 19.337 -39.011 -6.217 1.00 37.86 C +ATOM 197 O GLY A 521 20.511 -39.345 -6.253 1.00 39.26 O +ATOM 198 N VAL A 522 18.941 -37.752 -6.157 1.00 38.28 N +ATOM 199 CA VAL A 522 19.836 -36.625 -6.246 1.00 39.20 C +ATOM 200 C VAL A 522 20.114 -36.103 -4.859 1.00 42.62 C +ATOM 201 O VAL A 522 19.178 -35.737 -4.179 1.00 48.04 O +ATOM 202 CB VAL A 522 19.177 -35.491 -7.050 1.00 35.68 C +ATOM 203 CG1 VAL A 522 20.034 -34.245 -7.033 1.00 39.24 C +ATOM 204 CG2 VAL A 522 18.925 -35.932 -8.465 1.00 29.73 C +ATOM 205 N THR A 523 21.386 -36.081 -4.435 1.00 44.26 N +ATOM 206 CA THR A 523 21.820 -35.315 -3.258 1.00 43.48 C +ATOM 207 C THR A 523 22.537 -34.045 -3.694 1.00 46.63 C +ATOM 208 O THR A 523 23.618 -34.115 -4.258 1.00 49.81 O +ATOM 209 CB THR A 523 22.789 -36.096 -2.403 1.00 42.74 C +ATOM 210 OG1 THR A 523 22.217 -37.364 -2.079 1.00 41.72 O +ATOM 211 CG2 THR A 523 23.122 -35.312 -1.117 1.00 41.33 C +ATOM 212 N ARG A 524 21.940 -32.891 -3.423 1.00 49.65 N +ATOM 213 CA ARG A 524 22.520 -31.588 -3.782 1.00 49.59 C +ATOM 214 C ARG A 524 23.461 -31.095 -2.704 1.00 49.76 C +ATOM 215 O ARG A 524 23.118 -31.143 -1.511 1.00 48.61 O +ATOM 216 CB ARG A 524 21.412 -30.567 -3.996 1.00 51.97 C +ATOM 217 CG ARG A 524 20.693 -30.788 -5.299 1.00 54.14 C +ATOM 218 CD ARG A 524 19.203 -30.421 -5.267 1.00 56.19 C +ATOM 219 NE ARG A 524 18.485 -30.997 -6.421 1.00 57.16 N +ATOM 220 CZ ARG A 524 18.637 -30.605 -7.695 1.00 60.04 C +ATOM 221 NH1 ARG A 524 19.484 -29.616 -8.024 1.00 60.06 N +ATOM 222 NH2 ARG A 524 17.941 -31.205 -8.665 1.00 59.85 N +ATOM 223 N VAL A 525 24.646 -30.624 -3.119 1.00 48.01 N +ATOM 224 CA VAL A 525 25.673 -30.123 -2.180 1.00 47.65 C +ATOM 225 C VAL A 525 25.926 -28.633 -2.384 1.00 47.18 C +ATOM 226 O VAL A 525 26.104 -28.171 -3.503 1.00 46.61 O +ATOM 227 CB VAL A 525 27.004 -30.875 -2.327 1.00 43.58 C +ATOM 228 CG1 VAL A 525 28.010 -30.346 -1.340 1.00 42.36 C +ATOM 229 CG2 VAL A 525 26.804 -32.357 -2.128 1.00 42.05 C +ATOM 230 N GLY A 526 25.942 -27.881 -1.297 1.00 50.69 N +ATOM 231 CA GLY A 526 26.172 -26.442 -1.382 1.00 55.23 C +ATOM 232 C GLY A 526 25.867 -25.702 -0.091 1.00 57.44 C +ATOM 233 O GLY A 526 25.991 -26.251 1.002 1.00 55.24 O +ATOM 234 N GLN A 527 25.473 -24.444 -0.225 1.00 63.07 N +ATOM 235 CA GLN A 527 25.267 -23.573 0.930 1.00 67.15 C +ATOM 236 C GLN A 527 23.801 -23.253 1.106 1.00 69.39 C +ATOM 237 O GLN A 527 23.264 -23.397 2.193 1.00 71.85 O +ATOM 238 CB GLN A 527 26.075 -22.279 0.774 1.00 68.39 C +ATOM 239 CG GLN A 527 27.506 -22.381 1.297 1.00 69.60 C +ATOM 240 CD GLN A 527 28.370 -21.179 0.926 1.00 70.48 C +ATOM 241 OE1 GLN A 527 27.915 -20.261 0.227 1.00 71.35 O +ATOM 242 NE2 GLN A 527 29.634 -21.191 1.372 1.00 69.29 N +ATOM 243 N VAL A 528 23.160 -22.819 0.030 1.00 71.86 N +ATOM 244 CA VAL A 528 21.780 -22.363 0.095 1.00 73.42 C +ATOM 245 C VAL A 528 20.812 -23.450 -0.363 1.00 74.92 C +ATOM 246 O VAL A 528 20.630 -23.668 -1.576 1.00 73.95 O +ATOM 247 CB VAL A 528 21.571 -21.076 -0.755 1.00 74.31 C +ATOM 248 CG1 VAL A 528 20.083 -20.697 -0.830 1.00 72.11 C +ATOM 249 CG2 VAL A 528 22.407 -19.921 -0.174 1.00 74.63 C +ATOM 250 N ASP A 529 20.207 -24.120 0.627 1.00 76.01 N +ATOM 251 CA ASP A 529 19.025 -25.002 0.433 1.00 76.02 C +ATOM 252 C ASP A 529 19.414 -26.293 -0.263 1.00 74.46 C +ATOM 253 O ASP A 529 18.975 -26.585 -1.392 1.00 72.08 O +ATOM 254 CB ASP A 529 17.877 -24.284 -0.309 1.00 79.42 C +ATOM 255 CG ASP A 529 17.463 -22.975 0.376 1.00 81.62 C +ATOM 256 OD1 ASP A 529 17.467 -22.927 1.631 1.00 81.66 O +ATOM 257 OD2 ASP A 529 17.144 -21.997 -0.344 1.00 83.26 O +ATOM 258 N MET A 530 20.234 -27.058 0.455 1.00 71.44 N +ATOM 259 CA MET A 530 20.901 -28.223 -0.078 1.00 69.32 C +ATOM 260 C MET A 530 20.697 -29.406 0.845 1.00 65.51 C +ATOM 261 O MET A 530 20.300 -29.248 1.981 1.00 66.22 O +ATOM 262 CB MET A 530 22.395 -27.908 -0.226 1.00 71.58 C +ATOM 263 CG MET A 530 22.651 -26.726 -1.161 1.00 72.91 C +ATOM 264 SD MET A 530 22.145 -27.079 -2.867 1.00 75.19 S +ATOM 265 CE MET A 530 21.130 -25.660 -3.330 1.00 72.30 C +ATOM 266 N ASP A 531 20.972 -30.596 0.350 1.00 61.56 N +ATOM 267 CA ASP A 531 20.873 -31.787 1.160 1.00 59.11 C +ATOM 268 C ASP A 531 22.141 -31.918 1.996 1.00 57.18 C +ATOM 269 O ASP A 531 22.093 -32.397 3.119 1.00 58.24 O +ATOM 270 CB ASP A 531 20.621 -33.007 0.270 1.00 59.92 C +ATOM 271 CG ASP A 531 19.458 -32.778 -0.716 1.00 62.15 C +ATOM 272 OD1 ASP A 531 18.333 -32.500 -0.260 1.00 64.69 O +ATOM 273 OD2 ASP A 531 19.664 -32.842 -1.946 1.00 62.27 O +ATOM 274 N ILE A 532 23.281 -31.482 1.460 1.00 56.07 N +ATOM 275 CA ILE A 532 24.505 -31.392 2.258 1.00 54.56 C +ATOM 276 C ILE A 532 24.983 -29.951 2.244 1.00 55.45 C +ATOM 277 O ILE A 532 25.206 -29.383 1.182 1.00 57.46 O +ATOM 278 CB ILE A 532 25.608 -32.282 1.730 1.00 53.36 C +ATOM 279 CG1 ILE A 532 25.132 -33.739 1.672 1.00 51.89 C +ATOM 280 CG2 ILE A 532 26.823 -32.147 2.624 1.00 53.85 C +ATOM 281 CD1 ILE A 532 26.066 -34.675 0.962 1.00 49.20 C +ATOM 282 N LYS A 533 25.117 -29.361 3.429 1.00 56.25 N +ATOM 283 CA LYS A 533 25.509 -27.961 3.561 1.00 55.76 C +ATOM 284 C LYS A 533 26.982 -27.881 3.928 1.00 52.95 C +ATOM 285 O LYS A 533 27.404 -28.472 4.914 1.00 51.04 O +ATOM 286 CB LYS A 533 24.676 -27.283 4.641 1.00 58.45 C +ATOM 287 CG LYS A 533 24.929 -25.782 4.804 1.00 59.77 C +ATOM 288 CD LYS A 533 24.759 -25.342 6.287 1.00 60.94 C +ATOM 289 CE LYS A 533 24.550 -23.824 6.432 1.00 62.56 C +ATOM 290 NZ LYS A 533 23.555 -23.262 5.422 1.00 63.43 N +ATOM 291 N LEU A 534 27.764 -27.171 3.122 1.00 52.02 N +ATOM 292 CA LEU A 534 29.193 -26.962 3.405 1.00 51.53 C +ATOM 293 C LEU A 534 29.448 -25.472 3.405 1.00 49.76 C +ATOM 294 O LEU A 534 28.915 -24.751 2.553 1.00 50.15 O +ATOM 295 CB LEU A 534 30.063 -27.654 2.355 1.00 51.50 C +ATOM 296 CG LEU A 534 29.881 -29.167 2.234 1.00 51.52 C +ATOM 297 CD1 LEU A 534 30.730 -29.736 1.094 1.00 49.83 C +ATOM 298 CD2 LEU A 534 30.221 -29.826 3.563 1.00 51.23 C +ATOM 299 N THR A 535 30.253 -24.998 4.350 1.00 48.12 N +ATOM 300 CA THR A 535 30.334 -23.551 4.592 1.00 48.78 C +ATOM 301 C THR A 535 31.562 -22.839 4.048 1.00 47.85 C +ATOM 302 O THR A 535 31.533 -21.639 3.910 1.00 53.91 O +ATOM 303 CB THR A 535 30.231 -23.244 6.083 1.00 48.29 C +ATOM 304 OG1 THR A 535 30.972 -24.235 6.815 1.00 48.59 O +ATOM 305 CG2 THR A 535 28.742 -23.224 6.524 1.00 45.52 C +ATOM 306 N GLY A 536 32.636 -23.550 3.755 1.00 46.56 N +ATOM 307 CA GLY A 536 33.823 -22.931 3.156 1.00 46.87 C +ATOM 308 C GLY A 536 33.611 -21.761 2.185 1.00 46.62 C +ATOM 309 O GLY A 536 32.608 -21.658 1.471 1.00 47.37 O +ATOM 310 N GLN A 537 34.594 -20.883 2.151 1.00 47.39 N +ATOM 311 CA GLN A 537 34.568 -19.696 1.303 1.00 45.96 C +ATOM 312 C GLN A 537 34.400 -20.002 -0.195 1.00 46.23 C +ATOM 313 O GLN A 537 33.839 -19.192 -0.938 1.00 44.63 O +ATOM 314 CB GLN A 537 35.872 -18.944 1.522 1.00 46.72 C +ATOM 315 CG GLN A 537 35.982 -17.596 0.812 1.00 47.82 C +ATOM 316 CD GLN A 537 37.403 -17.073 0.816 1.00 45.04 C +ATOM 317 OE1 GLN A 537 38.241 -17.574 1.551 1.00 43.79 O +ATOM 318 NE2 GLN A 537 37.678 -16.065 0.002 1.00 43.20 N +ATOM 319 N PHE A 538 34.891 -21.159 -0.637 1.00 46.61 N +ATOM 320 CA PHE A 538 34.831 -21.535 -2.052 1.00 46.05 C +ATOM 321 C PHE A 538 33.685 -22.478 -2.403 1.00 46.18 C +ATOM 322 O PHE A 538 33.563 -22.907 -3.562 1.00 46.07 O +ATOM 323 CB PHE A 538 36.184 -22.104 -2.484 1.00 47.24 C +ATOM 324 CG PHE A 538 37.286 -21.115 -2.344 1.00 47.81 C +ATOM 325 CD1 PHE A 538 38.185 -21.193 -1.295 1.00 49.36 C +ATOM 326 CD2 PHE A 538 37.373 -20.036 -3.217 1.00 48.24 C +ATOM 327 CE1 PHE A 538 39.183 -20.229 -1.143 1.00 48.77 C +ATOM 328 CE2 PHE A 538 38.366 -19.077 -3.077 1.00 47.87 C +ATOM 329 CZ PHE A 538 39.270 -19.175 -2.039 1.00 48.36 C +ATOM 330 N ILE A 539 32.840 -22.795 -1.422 1.00 44.18 N +ATOM 331 CA ILE A 539 31.652 -23.599 -1.687 1.00 44.60 C +ATOM 332 C ILE A 539 30.575 -22.679 -2.237 1.00 44.38 C +ATOM 333 O ILE A 539 30.187 -21.749 -1.573 1.00 44.64 O +ATOM 334 CB ILE A 539 31.130 -24.292 -0.428 1.00 41.55 C +ATOM 335 CG1 ILE A 539 32.203 -25.219 0.189 1.00 41.59 C +ATOM 336 CG2 ILE A 539 29.892 -25.063 -0.750 1.00 42.40 C +ATOM 337 CD1 ILE A 539 32.703 -26.338 -0.727 1.00 39.36 C +ATOM 338 N ARG A 540 30.112 -22.933 -3.461 1.00 48.71 N +ATOM 339 CA ARG A 540 29.029 -22.143 -4.080 1.00 51.41 C +ATOM 340 C ARG A 540 27.683 -22.518 -3.478 1.00 51.82 C +ATOM 341 O ARG A 540 27.579 -23.483 -2.713 1.00 52.49 O +ATOM 342 CB ARG A 540 28.993 -22.364 -5.588 1.00 54.50 C +ATOM 343 CG ARG A 540 30.314 -22.078 -6.282 1.00 59.00 C +ATOM 344 CD ARG A 540 30.638 -20.573 -6.321 1.00 64.17 C +ATOM 345 NE ARG A 540 32.087 -20.343 -6.231 1.00 65.99 N +ATOM 346 CZ ARG A 540 32.729 -19.745 -5.210 1.00 69.43 C +ATOM 347 NH1 ARG A 540 32.085 -19.290 -4.129 1.00 71.27 N +ATOM 348 NH2 ARG A 540 34.053 -19.599 -5.260 1.00 68.98 N +ATOM 349 N GLU A 541 26.649 -21.756 -3.808 1.00 53.23 N +ATOM 350 CA GLU A 541 25.319 -22.018 -3.238 1.00 55.63 C +ATOM 351 C GLU A 541 24.833 -23.380 -3.677 1.00 52.98 C +ATOM 352 O GLU A 541 24.361 -24.157 -2.859 1.00 52.05 O +ATOM 353 CB GLU A 541 24.322 -20.945 -3.646 1.00 59.06 C +ATOM 354 CG GLU A 541 24.501 -19.638 -2.888 1.00 62.97 C +ATOM 355 CD GLU A 541 23.752 -18.455 -3.531 1.00 65.55 C +ATOM 356 OE1 GLU A 541 23.998 -17.307 -3.097 1.00 69.82 O +ATOM 357 OE2 GLU A 541 22.937 -18.658 -4.472 1.00 70.11 O +ATOM 358 N GLN A 542 24.947 -23.638 -4.979 1.00 51.28 N +ATOM 359 CA GLN A 542 24.814 -24.971 -5.549 1.00 51.01 C +ATOM 360 C GLN A 542 26.205 -25.418 -5.981 1.00 46.73 C +ATOM 361 O GLN A 542 26.659 -25.051 -7.056 1.00 44.31 O +ATOM 362 CB GLN A 542 23.889 -24.959 -6.786 1.00 55.82 C +ATOM 363 CG GLN A 542 22.383 -24.736 -6.525 1.00 60.38 C +ATOM 364 CD GLN A 542 21.976 -23.237 -6.404 1.00 64.71 C +ATOM 365 OE1 GLN A 542 22.120 -22.450 -7.358 1.00 67.98 O +ATOM 366 NE2 GLN A 542 21.448 -22.856 -5.227 1.00 66.66 N +ATOM 367 N HIS A 543 26.893 -26.201 -5.158 1.00 43.28 N +ATOM 368 CA HIS A 543 28.266 -26.608 -5.506 1.00 42.89 C +ATOM 369 C HIS A 543 28.336 -27.759 -6.527 1.00 42.20 C +ATOM 370 O HIS A 543 28.981 -27.651 -7.581 1.00 40.21 O +ATOM 371 CB HIS A 543 29.058 -26.983 -4.260 1.00 41.40 C +ATOM 372 CG HIS A 543 30.531 -26.943 -4.472 1.00 41.05 C +ATOM 373 ND1 HIS A 543 31.250 -25.774 -4.409 1.00 38.54 N +ATOM 374 CD2 HIS A 543 31.413 -27.916 -4.801 1.00 41.16 C +ATOM 375 CE1 HIS A 543 32.520 -26.033 -4.659 1.00 41.10 C +ATOM 376 NE2 HIS A 543 32.646 -27.324 -4.903 1.00 41.17 N +ATOM 377 N CYS A 544 27.681 -28.863 -6.192 1.00 40.60 N +ATOM 378 CA CYS A 544 27.609 -30.012 -7.075 1.00 39.24 C +ATOM 379 C CYS A 544 26.497 -30.938 -6.600 1.00 37.72 C +ATOM 380 O CYS A 544 25.890 -30.685 -5.572 1.00 38.49 O +ATOM 381 CB CYS A 544 28.937 -30.757 -7.048 1.00 38.11 C +ATOM 382 SG CYS A 544 29.278 -31.521 -5.457 1.00 37.69 S +ATOM 383 N LEU A 545 26.236 -32.019 -7.324 1.00 38.33 N +ATOM 384 CA LEU A 545 25.282 -32.998 -6.836 1.00 38.18 C +ATOM 385 C LEU A 545 25.665 -34.427 -7.137 1.00 35.83 C +ATOM 386 O LEU A 545 26.321 -34.709 -8.119 1.00 36.38 O +ATOM 387 CB LEU A 545 23.897 -32.684 -7.367 1.00 39.50 C +ATOM 388 CG LEU A 545 23.702 -32.720 -8.862 1.00 40.07 C +ATOM 389 CD1 LEU A 545 23.263 -34.107 -9.277 1.00 41.94 C +ATOM 390 CD2 LEU A 545 22.653 -31.699 -9.213 1.00 37.86 C +ATOM 391 N PHE A 546 25.279 -35.315 -6.236 1.00 35.64 N +ATOM 392 CA PHE A 546 25.416 -36.739 -6.444 1.00 38.16 C +ATOM 393 C PHE A 546 24.115 -37.329 -7.019 1.00 38.85 C +ATOM 394 O PHE A 546 23.005 -36.945 -6.608 1.00 35.73 O +ATOM 395 CB PHE A 546 25.719 -37.416 -5.119 1.00 39.83 C +ATOM 396 CG PHE A 546 27.015 -36.986 -4.491 1.00 40.11 C +ATOM 397 CD1 PHE A 546 27.074 -35.859 -3.679 1.00 42.29 C +ATOM 398 CD2 PHE A 546 28.169 -37.718 -4.683 1.00 40.54 C +ATOM 399 CE1 PHE A 546 28.274 -35.468 -3.068 1.00 39.80 C +ATOM 400 CE2 PHE A 546 29.367 -37.331 -4.086 1.00 40.45 C +ATOM 401 CZ PHE A 546 29.413 -36.205 -3.282 1.00 40.20 C +ATOM 402 N ARG A 547 24.248 -38.241 -7.981 1.00 38.71 N +ATOM 403 CA ARG A 547 23.106 -39.054 -8.438 1.00 38.60 C +ATOM 404 C ARG A 547 23.339 -40.500 -8.127 1.00 37.42 C +ATOM 405 O ARG A 547 24.353 -41.063 -8.526 1.00 36.12 O +ATOM 406 CB ARG A 547 22.918 -38.967 -9.922 1.00 37.85 C +ATOM 407 CG ARG A 547 22.092 -37.872 -10.332 1.00 39.02 C +ATOM 408 CD ARG A 547 22.064 -37.778 -11.841 1.00 42.65 C +ATOM 409 NE ARG A 547 21.902 -36.386 -12.160 1.00 44.85 N +ATOM 410 CZ ARG A 547 20.753 -35.745 -12.044 1.00 45.99 C +ATOM 411 NH1 ARG A 547 19.655 -36.384 -11.635 1.00 44.79 N +ATOM 412 NH2 ARG A 547 20.710 -34.444 -12.329 1.00 47.20 N +ATOM 413 N SER A 548 22.391 -41.111 -7.437 1.00 38.47 N +ATOM 414 CA SER A 548 22.470 -42.525 -7.162 1.00 40.29 C +ATOM 415 C SER A 548 21.352 -43.212 -7.921 1.00 39.14 C +ATOM 416 O SER A 548 20.176 -42.891 -7.727 1.00 39.35 O +ATOM 417 CB SER A 548 22.359 -42.773 -5.684 1.00 39.07 C +ATOM 418 OG SER A 548 22.522 -44.142 -5.449 1.00 41.72 O +ATOM 419 N ILE A 549 21.738 -44.126 -8.806 1.00 39.22 N +ATOM 420 CA ILE A 549 20.809 -44.823 -9.696 1.00 41.78 C +ATOM 421 C ILE A 549 21.011 -46.331 -9.540 1.00 44.04 C +ATOM 422 O ILE A 549 22.147 -46.804 -9.485 1.00 42.17 O +ATOM 423 CB ILE A 549 21.041 -44.472 -11.184 1.00 40.35 C +ATOM 424 CG1 ILE A 549 21.332 -42.971 -11.379 1.00 41.88 C +ATOM 425 CG2 ILE A 549 19.867 -44.905 -12.017 1.00 38.54 C +ATOM 426 CD1 ILE A 549 22.900 -42.598 -11.397 1.00 39.81 C +ATOM 427 N PRO A 550 19.909 -47.101 -9.463 1.00 50.15 N +ATOM 428 CA PRO A 550 20.019 -48.574 -9.335 1.00 50.29 C +ATOM 429 C PRO A 550 20.274 -49.311 -10.636 1.00 50.95 C +ATOM 430 O PRO A 550 19.778 -48.914 -11.693 1.00 48.42 O +ATOM 431 CB PRO A 550 18.653 -48.984 -8.798 1.00 49.03 C +ATOM 432 CG PRO A 550 17.865 -47.689 -8.619 1.00 49.72 C +ATOM 433 CD PRO A 550 18.501 -46.669 -9.454 1.00 50.27 C +ATOM 434 N GLN A 551 21.046 -50.388 -10.537 1.00 55.33 N +ATOM 435 CA GLN A 551 21.221 -51.318 -11.642 1.00 59.56 C +ATOM 436 C GLN A 551 20.259 -52.479 -11.509 1.00 62.65 C +ATOM 437 O GLN A 551 19.718 -52.708 -10.412 1.00 62.77 O +ATOM 438 CB GLN A 551 22.631 -51.867 -11.652 1.00 60.15 C +ATOM 439 CG GLN A 551 23.603 -50.891 -12.171 1.00 61.57 C +ATOM 440 CD GLN A 551 24.999 -51.377 -12.033 1.00 61.18 C +ATOM 441 OE1 GLN A 551 25.627 -51.744 -13.015 1.00 62.25 O +ATOM 442 NE2 GLN A 551 25.504 -51.396 -10.807 1.00 61.15 N +ATOM 443 N PRO A 552 20.030 -53.212 -12.627 1.00 66.22 N +ATOM 444 CA PRO A 552 19.301 -54.489 -12.643 1.00 66.97 C +ATOM 445 C PRO A 552 19.470 -55.339 -11.360 1.00 67.74 C +ATOM 446 O PRO A 552 18.474 -55.670 -10.697 1.00 65.46 O +ATOM 447 CB PRO A 552 19.899 -55.194 -13.869 1.00 66.65 C +ATOM 448 CG PRO A 552 20.149 -54.091 -14.818 1.00 66.51 C +ATOM 449 CD PRO A 552 20.429 -52.831 -13.997 1.00 66.61 C +ATOM 450 N ASP A 553 20.719 -55.630 -10.998 1.00 68.47 N +ATOM 451 CA ASP A 553 21.011 -56.431 -9.804 1.00 69.13 C +ATOM 452 C ASP A 553 20.807 -55.731 -8.439 1.00 70.69 C +ATOM 453 O ASP A 553 21.141 -56.319 -7.405 1.00 73.09 O +ATOM 454 CB ASP A 553 22.444 -56.998 -9.882 1.00 69.02 C +ATOM 455 CG ASP A 553 23.523 -55.917 -9.879 1.00 69.28 C +ATOM 456 OD1 ASP A 553 23.306 -54.801 -9.360 1.00 67.25 O +ATOM 457 OD2 ASP A 553 24.615 -56.200 -10.399 1.00 71.88 O +ATOM 458 N GLY A 554 20.293 -54.493 -8.427 1.00 70.36 N +ATOM 459 CA GLY A 554 20.181 -53.703 -7.184 1.00 69.36 C +ATOM 460 C GLY A 554 21.389 -52.802 -6.873 1.00 70.04 C +ATOM 461 O GLY A 554 21.221 -51.708 -6.322 1.00 70.31 O +ATOM 462 N GLU A 555 22.601 -53.258 -7.224 1.00 69.42 N +ATOM 463 CA GLU A 555 23.850 -52.497 -6.995 1.00 65.84 C +ATOM 464 C GLU A 555 23.750 -51.082 -7.569 1.00 62.62 C +ATOM 465 O GLU A 555 23.213 -50.878 -8.656 1.00 66.60 O +ATOM 466 CB GLU A 555 25.057 -53.237 -7.604 1.00 69.16 C +ATOM 467 CG GLU A 555 26.426 -52.720 -7.170 1.00 73.34 C +ATOM 468 CD GLU A 555 26.680 -52.801 -5.634 1.00 79.04 C +ATOM 469 OE1 GLU A 555 25.949 -53.541 -4.920 1.00 80.18 O +ATOM 470 OE2 GLU A 555 27.628 -52.121 -5.146 1.00 82.11 O +ATOM 471 N VAL A 556 24.256 -50.106 -6.840 1.00 55.26 N +ATOM 472 CA VAL A 556 24.046 -48.719 -7.215 1.00 50.99 C +ATOM 473 C VAL A 556 25.244 -48.172 -8.005 1.00 46.66 C +ATOM 474 O VAL A 556 26.348 -48.712 -7.944 1.00 44.98 O +ATOM 475 CB VAL A 556 23.758 -47.863 -5.971 1.00 50.89 C +ATOM 476 CG1 VAL A 556 23.272 -46.516 -6.362 1.00 52.10 C +ATOM 477 CG2 VAL A 556 22.709 -48.534 -5.140 1.00 51.09 C +ATOM 478 N VAL A 557 24.977 -47.136 -8.791 1.00 40.20 N +ATOM 479 CA VAL A 557 25.975 -46.399 -9.510 1.00 36.92 C +ATOM 480 C VAL A 557 25.787 -44.961 -9.066 1.00 37.51 C +ATOM 481 O VAL A 557 24.677 -44.425 -9.117 1.00 36.93 O +ATOM 482 CB VAL A 557 25.765 -46.520 -11.035 1.00 34.66 C +ATOM 483 CG1 VAL A 557 26.662 -45.560 -11.803 1.00 32.26 C +ATOM 484 CG2 VAL A 557 26.007 -47.950 -11.493 1.00 31.95 C +ATOM 485 N VAL A 558 26.862 -44.346 -8.588 1.00 36.42 N +ATOM 486 CA VAL A 558 26.812 -42.969 -8.109 1.00 32.86 C +ATOM 487 C VAL A 558 27.669 -42.106 -9.037 1.00 34.67 C +ATOM 488 O VAL A 558 28.836 -42.443 -9.324 1.00 33.93 O +ATOM 489 CB VAL A 558 27.317 -42.848 -6.653 1.00 30.38 C +ATOM 490 CG1 VAL A 558 27.126 -41.415 -6.136 1.00 25.44 C +ATOM 491 CG2 VAL A 558 26.616 -43.908 -5.722 1.00 25.26 C +ATOM 492 N THR A 559 27.080 -41.015 -9.526 1.00 32.93 N +ATOM 493 CA THR A 559 27.791 -40.076 -10.329 1.00 33.43 C +ATOM 494 C THR A 559 27.855 -38.753 -9.585 1.00 34.64 C +ATOM 495 O THR A 559 27.021 -38.488 -8.733 1.00 37.13 O +ATOM 496 CB THR A 559 27.096 -39.855 -11.653 1.00 34.64 C +ATOM 497 OG1 THR A 559 25.889 -39.134 -11.432 1.00 37.83 O +ATOM 498 CG2 THR A 559 26.795 -41.166 -12.337 1.00 33.26 C +ATOM 499 N LEU A 560 28.854 -37.936 -9.916 1.00 35.56 N +ATOM 500 CA LEU A 560 29.013 -36.583 -9.370 1.00 36.57 C +ATOM 501 C LEU A 560 28.958 -35.582 -10.524 1.00 36.63 C +ATOM 502 O LEU A 560 29.630 -35.769 -11.533 1.00 34.16 O +ATOM 503 CB LEU A 560 30.357 -36.492 -8.629 1.00 36.87 C +ATOM 504 CG LEU A 560 30.874 -35.136 -8.113 1.00 36.05 C +ATOM 505 CD1 LEU A 560 30.146 -34.667 -6.888 1.00 33.59 C +ATOM 506 CD2 LEU A 560 32.311 -35.293 -7.775 1.00 37.36 C +ATOM 507 N GLU A 561 28.123 -34.555 -10.407 1.00 39.27 N +ATOM 508 CA GLU A 561 28.069 -33.485 -11.412 1.00 43.45 C +ATOM 509 C GLU A 561 28.477 -32.186 -10.770 1.00 41.35 C +ATOM 510 O GLU A 561 27.856 -31.768 -9.810 1.00 38.56 O +ATOM 511 CB GLU A 561 26.662 -33.275 -11.928 1.00 48.44 C +ATOM 512 CG GLU A 561 25.846 -34.542 -12.143 1.00 54.93 C +ATOM 513 CD GLU A 561 24.541 -34.255 -12.906 1.00 56.41 C +ATOM 514 OE1 GLU A 561 24.202 -33.034 -13.091 1.00 60.07 O +ATOM 515 OE2 GLU A 561 23.879 -35.249 -13.319 1.00 58.43 O +ATOM 516 N PRO A 562 29.501 -31.523 -11.300 1.00 42.68 N +ATOM 517 CA PRO A 562 29.913 -30.248 -10.715 1.00 42.41 C +ATOM 518 C PRO A 562 29.080 -29.126 -11.280 1.00 40.02 C +ATOM 519 O PRO A 562 28.671 -29.203 -12.416 1.00 37.49 O +ATOM 520 CB PRO A 562 31.346 -30.121 -11.177 1.00 42.83 C +ATOM 521 CG PRO A 562 31.338 -30.745 -12.529 1.00 45.23 C +ATOM 522 CD PRO A 562 30.327 -31.878 -12.461 1.00 45.70 C +ATOM 523 N CYS A 563 28.806 -28.104 -10.488 1.00 42.26 N +ATOM 524 CA CYS A 563 28.082 -26.941 -10.989 1.00 42.52 C +ATOM 525 C CYS A 563 29.052 -25.908 -11.533 1.00 43.28 C +ATOM 526 O CYS A 563 30.174 -25.786 -11.058 1.00 44.44 O +ATOM 527 CB CYS A 563 27.249 -26.321 -9.893 1.00 42.77 C +ATOM 528 SG CYS A 563 25.960 -27.416 -9.270 1.00 45.96 S +ATOM 529 N GLU A 564 28.602 -25.198 -12.556 1.00 47.51 N +ATOM 530 CA GLU A 564 29.293 -24.066 -13.144 1.00 47.38 C +ATOM 531 C GLU A 564 29.899 -23.176 -12.081 1.00 46.87 C +ATOM 532 O GLU A 564 29.186 -22.647 -11.236 1.00 45.40 O +ATOM 533 CB GLU A 564 28.268 -23.236 -13.931 1.00 54.95 C +ATOM 534 CG GLU A 564 28.810 -21.987 -14.642 1.00 57.38 C +ATOM 535 CD GLU A 564 29.586 -22.327 -15.893 1.00 63.60 C +ATOM 536 OE1 GLU A 564 30.052 -21.379 -16.567 1.00 68.11 O +ATOM 537 OE2 GLU A 564 29.732 -23.539 -16.207 1.00 67.85 O +ATOM 538 N GLY A 565 31.217 -23.022 -12.123 1.00 44.53 N +ATOM 539 CA GLY A 565 31.925 -22.130 -11.230 1.00 43.11 C +ATOM 540 C GLY A 565 32.143 -22.673 -9.841 1.00 43.45 C +ATOM 541 O GLY A 565 32.532 -21.927 -8.959 1.00 47.20 O +ATOM 542 N ALA A 566 31.893 -23.963 -9.634 1.00 41.41 N +ATOM 543 CA ALA A 566 32.106 -24.590 -8.341 1.00 40.31 C +ATOM 544 C ALA A 566 33.166 -25.668 -8.532 1.00 40.82 C +ATOM 545 O ALA A 566 32.988 -26.594 -9.324 1.00 41.98 O +ATOM 546 CB ALA A 566 30.831 -25.164 -7.823 1.00 37.80 C +ATOM 547 N GLU A 567 34.283 -25.522 -7.821 1.00 41.70 N +ATOM 548 CA GLU A 567 35.433 -26.389 -7.985 1.00 39.44 C +ATOM 549 C GLU A 567 35.286 -27.632 -7.127 1.00 37.53 C +ATOM 550 O GLU A 567 34.991 -27.549 -5.932 1.00 35.04 O +ATOM 551 CB GLU A 567 36.737 -25.649 -7.655 1.00 40.82 C +ATOM 552 CG GLU A 567 37.101 -25.565 -6.182 1.00 42.56 C +ATOM 553 CD GLU A 567 38.317 -24.650 -5.909 1.00 43.60 C +ATOM 554 OE1 GLU A 567 38.125 -23.691 -5.126 1.00 44.97 O +ATOM 555 OE2 GLU A 567 39.444 -24.892 -6.463 1.00 39.63 O +ATOM 556 N THR A 568 35.478 -28.781 -7.763 1.00 35.10 N +ATOM 557 CA THR A 568 35.459 -30.058 -7.099 1.00 35.54 C +ATOM 558 C THR A 568 36.531 -30.875 -7.774 1.00 35.20 C +ATOM 559 O THR A 568 36.687 -30.790 -9.000 1.00 37.45 O +ATOM 560 CB THR A 568 34.080 -30.756 -7.291 1.00 36.63 C +ATOM 561 OG1 THR A 568 33.031 -29.923 -6.762 1.00 35.79 O +ATOM 562 CG2 THR A 568 34.058 -32.120 -6.613 1.00 34.15 C +ATOM 563 N TYR A 569 37.266 -31.666 -6.998 1.00 35.25 N +ATOM 564 CA TYR A 569 38.302 -32.559 -7.541 1.00 35.67 C +ATOM 565 C TYR A 569 38.029 -33.987 -7.126 1.00 33.50 C +ATOM 566 O TYR A 569 37.653 -34.223 -5.983 1.00 33.54 O +ATOM 567 CB TYR A 569 39.687 -32.179 -7.005 1.00 40.39 C +ATOM 568 CG TYR A 569 40.056 -30.733 -7.214 1.00 39.94 C +ATOM 569 CD1 TYR A 569 40.992 -30.357 -8.178 1.00 40.32 C +ATOM 570 CD2 TYR A 569 39.462 -29.749 -6.456 1.00 40.21 C +ATOM 571 CE1 TYR A 569 41.317 -29.025 -8.369 1.00 41.59 C +ATOM 572 CE2 TYR A 569 39.763 -28.425 -6.635 1.00 41.71 C +ATOM 573 CZ TYR A 569 40.690 -28.060 -7.582 1.00 43.51 C +ATOM 574 OH TYR A 569 40.969 -26.715 -7.720 1.00 44.63 O +ATOM 575 N VAL A 570 38.229 -34.932 -8.042 1.00 31.09 N +ATOM 576 CA VAL A 570 38.188 -36.359 -7.710 1.00 32.17 C +ATOM 577 C VAL A 570 39.587 -36.938 -7.931 1.00 31.06 C +ATOM 578 O VAL A 570 40.091 -36.932 -9.038 1.00 29.10 O +ATOM 579 CB VAL A 570 37.139 -37.151 -8.580 1.00 30.64 C +ATOM 580 CG1 VAL A 570 37.216 -38.648 -8.285 1.00 26.69 C +ATOM 581 CG2 VAL A 570 35.724 -36.637 -8.345 1.00 28.24 C +ATOM 582 N ASN A 571 40.217 -37.421 -6.868 1.00 35.68 N +ATOM 583 CA ASN A 571 41.589 -37.979 -6.943 1.00 35.63 C +ATOM 584 C ASN A 571 42.567 -37.022 -7.569 1.00 38.37 C +ATOM 585 O ASN A 571 43.357 -37.396 -8.432 1.00 42.09 O +ATOM 586 CB ASN A 571 41.587 -39.303 -7.706 1.00 33.32 C +ATOM 587 CG ASN A 571 40.975 -40.407 -6.911 1.00 33.44 C +ATOM 588 OD1 ASN A 571 40.711 -40.261 -5.713 1.00 36.00 O +ATOM 589 ND2 ASN A 571 40.742 -41.517 -7.548 1.00 34.34 N +ATOM 590 N GLY A 572 42.487 -35.767 -7.160 1.00 39.44 N +ATOM 591 CA GLY A 572 43.386 -34.766 -7.671 1.00 40.93 C +ATOM 592 C GLY A 572 42.977 -34.069 -8.948 1.00 42.32 C +ATOM 593 O GLY A 572 43.374 -32.950 -9.142 1.00 43.26 O +ATOM 594 N LYS A 573 42.202 -34.707 -9.824 1.00 43.52 N +ATOM 595 CA LYS A 573 41.801 -34.054 -11.071 1.00 43.83 C +ATOM 596 C LYS A 573 40.558 -33.200 -10.851 1.00 41.10 C +ATOM 597 O LYS A 573 39.588 -33.650 -10.271 1.00 42.29 O +ATOM 598 CB LYS A 573 41.553 -35.068 -12.200 1.00 51.16 C +ATOM 599 CG LYS A 573 42.791 -35.851 -12.670 1.00 56.92 C +ATOM 600 CD LYS A 573 42.981 -37.190 -11.899 1.00 61.04 C +ATOM 601 CE LYS A 573 44.241 -38.006 -12.361 1.00 61.42 C +ATOM 602 NZ LYS A 573 44.527 -39.180 -11.417 1.00 61.63 N +ATOM 603 N LEU A 574 40.606 -31.958 -11.309 1.00 39.08 N +ATOM 604 CA LEU A 574 39.458 -31.070 -11.273 1.00 37.63 C +ATOM 605 C LEU A 574 38.432 -31.689 -12.166 1.00 36.96 C +ATOM 606 O LEU A 574 38.739 -32.071 -13.268 1.00 37.55 O +ATOM 607 CB LEU A 574 39.808 -29.663 -11.800 1.00 35.47 C +ATOM 608 CG LEU A 574 38.639 -28.664 -11.914 1.00 35.68 C +ATOM 609 CD1 LEU A 574 38.265 -28.081 -10.520 1.00 30.00 C +ATOM 610 CD2 LEU A 574 38.960 -27.569 -12.926 1.00 31.05 C +ATOM 611 N VAL A 575 37.212 -31.802 -11.679 1.00 39.32 N +ATOM 612 CA VAL A 575 36.156 -32.366 -12.479 1.00 40.37 C +ATOM 613 C VAL A 575 35.321 -31.227 -12.976 1.00 42.10 C +ATOM 614 O VAL A 575 34.902 -30.333 -12.234 1.00 41.41 O +ATOM 615 CB VAL A 575 35.293 -33.422 -11.728 1.00 39.98 C +ATOM 616 CG1 VAL A 575 36.198 -34.470 -11.087 1.00 40.40 C +ATOM 617 CG2 VAL A 575 34.400 -32.781 -10.707 1.00 39.53 C +ATOM 618 N THR A 576 35.077 -31.290 -14.260 1.00 45.05 N +ATOM 619 CA THR A 576 34.501 -30.213 -14.992 1.00 47.67 C +ATOM 620 C THR A 576 33.176 -30.676 -15.683 1.00 48.29 C +ATOM 621 O THR A 576 32.312 -29.864 -16.001 1.00 49.55 O +ATOM 622 CB THR A 576 35.578 -29.731 -15.982 1.00 49.92 C +ATOM 623 OG1 THR A 576 35.015 -28.745 -16.833 1.00 56.54 O +ATOM 624 CG2 THR A 576 36.159 -30.918 -16.832 1.00 48.30 C +ATOM 625 N GLU A 577 33.048 -31.989 -15.898 1.00 48.08 N +ATOM 626 CA GLU A 577 31.849 -32.641 -16.418 1.00 45.28 C +ATOM 627 C GLU A 577 31.431 -33.745 -15.446 1.00 41.17 C +ATOM 628 O GLU A 577 32.207 -34.114 -14.578 1.00 37.12 O +ATOM 629 CB GLU A 577 32.151 -33.255 -17.787 1.00 48.69 C +ATOM 630 CG GLU A 577 32.454 -32.230 -18.884 1.00 54.61 C +ATOM 631 CD GLU A 577 31.189 -31.444 -19.374 1.00 59.09 C +ATOM 632 OE1 GLU A 577 30.164 -31.355 -18.644 1.00 59.00 O +ATOM 633 OE2 GLU A 577 31.233 -30.911 -20.508 1.00 61.43 O +ATOM 634 N PRO A 578 30.196 -34.278 -15.583 1.00 39.43 N +ATOM 635 CA PRO A 578 29.793 -35.406 -14.729 1.00 38.79 C +ATOM 636 C PRO A 578 30.663 -36.639 -14.918 1.00 36.49 C +ATOM 637 O PRO A 578 31.206 -36.868 -15.987 1.00 37.20 O +ATOM 638 CB PRO A 578 28.351 -35.685 -15.167 1.00 35.88 C +ATOM 639 CG PRO A 578 27.895 -34.409 -15.778 1.00 33.88 C +ATOM 640 CD PRO A 578 29.094 -33.874 -16.471 1.00 35.79 C +ATOM 641 N LEU A 579 30.738 -37.437 -13.869 1.00 37.19 N +ATOM 642 CA LEU A 579 31.759 -38.436 -13.701 1.00 33.60 C +ATOM 643 C LEU A 579 31.170 -39.550 -12.822 1.00 34.06 C +ATOM 644 O LEU A 579 30.488 -39.257 -11.846 1.00 32.48 O +ATOM 645 CB LEU A 579 32.902 -37.767 -12.947 1.00 36.34 C +ATOM 646 CG LEU A 579 34.096 -38.637 -12.596 1.00 36.24 C +ATOM 647 CD1 LEU A 579 34.650 -39.227 -13.908 1.00 37.29 C +ATOM 648 CD2 LEU A 579 35.100 -37.823 -11.866 1.00 30.52 C +ATOM 649 N VAL A 580 31.436 -40.810 -13.151 1.00 32.84 N +ATOM 650 CA VAL A 580 31.009 -41.925 -12.309 1.00 30.51 C +ATOM 651 C VAL A 580 32.054 -42.144 -11.216 1.00 31.49 C +ATOM 652 O VAL A 580 33.212 -42.395 -11.514 1.00 33.63 O +ATOM 653 CB VAL A 580 30.865 -43.265 -13.119 1.00 27.95 C +ATOM 654 CG1 VAL A 580 30.620 -44.439 -12.160 1.00 22.64 C +ATOM 655 CG2 VAL A 580 29.791 -43.164 -14.169 1.00 22.96 C +ATOM 656 N LEU A 581 31.629 -42.082 -9.956 1.00 32.61 N +ATOM 657 CA LEU A 581 32.509 -42.303 -8.821 1.00 30.46 C +ATOM 658 C LEU A 581 32.816 -43.790 -8.566 1.00 32.47 C +ATOM 659 O LEU A 581 32.072 -44.670 -8.983 1.00 34.82 O +ATOM 660 CB LEU A 581 31.880 -41.703 -7.571 1.00 29.28 C +ATOM 661 CG LEU A 581 31.641 -40.210 -7.555 1.00 29.61 C +ATOM 662 CD1 LEU A 581 31.023 -39.822 -6.222 1.00 27.28 C +ATOM 663 CD2 LEU A 581 32.945 -39.464 -7.805 1.00 30.36 C +ATOM 664 N LYS A 582 33.905 -44.045 -7.839 1.00 32.66 N +ATOM 665 CA LYS A 582 34.327 -45.393 -7.488 1.00 32.69 C +ATOM 666 C LYS A 582 34.774 -45.453 -6.051 1.00 33.31 C +ATOM 667 O LYS A 582 35.365 -44.514 -5.535 1.00 35.61 O +ATOM 668 CB LYS A 582 35.478 -45.831 -8.354 1.00 34.46 C +ATOM 669 CG LYS A 582 35.133 -45.989 -9.808 1.00 36.59 C +ATOM 670 CD LYS A 582 34.104 -47.075 -10.079 1.00 39.03 C +ATOM 671 CE LYS A 582 34.045 -47.319 -11.582 1.00 41.55 C +ATOM 672 NZ LYS A 582 32.697 -47.667 -12.091 1.00 43.82 N +ATOM 673 N SER A 583 34.496 -46.568 -5.400 1.00 33.20 N +ATOM 674 CA SER A 583 34.820 -46.716 -4.000 1.00 34.70 C +ATOM 675 C SER A 583 36.303 -46.437 -3.824 1.00 33.85 C +ATOM 676 O SER A 583 37.112 -46.950 -4.583 1.00 34.93 O +ATOM 677 CB SER A 583 34.488 -48.127 -3.521 1.00 34.59 C +ATOM 678 OG SER A 583 34.699 -48.216 -2.122 1.00 40.15 O +ATOM 679 N GLY A 584 36.652 -45.614 -2.843 1.00 32.71 N +ATOM 680 CA GLY A 584 38.036 -45.177 -2.660 1.00 31.69 C +ATOM 681 C GLY A 584 38.327 -43.762 -3.150 1.00 31.29 C +ATOM 682 O GLY A 584 39.203 -43.094 -2.611 1.00 34.30 O +ATOM 683 N ASN A 585 37.608 -43.296 -4.170 1.00 31.66 N +ATOM 684 CA ASN A 585 37.786 -41.929 -4.681 1.00 31.79 C +ATOM 685 C ASN A 585 37.823 -40.879 -3.580 1.00 33.17 C +ATOM 686 O ASN A 585 37.046 -40.932 -2.630 1.00 31.19 O +ATOM 687 CB ASN A 585 36.656 -41.549 -5.621 1.00 32.15 C +ATOM 688 CG ASN A 585 36.771 -42.181 -6.986 1.00 32.14 C +ATOM 689 OD1 ASN A 585 35.944 -41.896 -7.869 1.00 33.67 O +ATOM 690 ND2 ASN A 585 37.779 -43.021 -7.185 1.00 27.16 N +ATOM 691 N ARG A 586 38.731 -39.920 -3.729 1.00 37.02 N +ATOM 692 CA ARG A 586 38.869 -38.818 -2.792 1.00 36.62 C +ATOM 693 C ARG A 586 38.304 -37.588 -3.474 1.00 35.41 C +ATOM 694 O ARG A 586 38.659 -37.283 -4.609 1.00 36.00 O +ATOM 695 CB ARG A 586 40.334 -38.635 -2.473 1.00 40.35 C +ATOM 696 CG ARG A 586 40.684 -37.538 -1.497 1.00 41.61 C +ATOM 697 CD ARG A 586 42.202 -37.625 -1.159 1.00 44.97 C +ATOM 698 NE ARG A 586 42.653 -36.547 -0.260 1.00 47.91 N +ATOM 699 CZ ARG A 586 42.965 -35.304 -0.666 1.00 49.57 C +ATOM 700 NH1 ARG A 586 42.882 -34.948 -1.965 1.00 49.49 N +ATOM 701 NH2 ARG A 586 43.348 -34.403 0.234 1.00 48.12 N +ATOM 702 N ILE A 587 37.407 -36.901 -2.789 1.00 33.03 N +ATOM 703 CA ILE A 587 36.676 -35.762 -3.351 1.00 32.24 C +ATOM 704 C ILE A 587 36.948 -34.536 -2.500 1.00 32.75 C +ATOM 705 O ILE A 587 36.757 -34.563 -1.268 1.00 33.28 O +ATOM 706 CB ILE A 587 35.146 -36.014 -3.329 1.00 31.93 C +ATOM 707 CG1 ILE A 587 34.839 -37.378 -3.969 1.00 32.43 C +ATOM 708 CG2 ILE A 587 34.400 -34.850 -3.986 1.00 29.54 C +ATOM 709 CD1 ILE A 587 33.414 -37.646 -4.110 1.00 33.11 C +ATOM 710 N VAL A 588 37.407 -33.469 -3.142 1.00 31.54 N +ATOM 711 CA VAL A 588 37.649 -32.212 -2.461 1.00 30.30 C +ATOM 712 C VAL A 588 36.674 -31.261 -3.076 1.00 29.16 C +ATOM 713 O VAL A 588 36.554 -31.236 -4.297 1.00 30.32 O +ATOM 714 CB VAL A 588 39.106 -31.693 -2.702 1.00 31.01 C +ATOM 715 CG1 VAL A 588 39.292 -30.236 -2.136 1.00 26.45 C +ATOM 716 CG2 VAL A 588 40.116 -32.688 -2.125 1.00 23.77 C +ATOM 717 N MET A 589 35.955 -30.509 -2.245 1.00 30.53 N +ATOM 718 CA MET A 589 35.026 -29.487 -2.718 1.00 33.15 C +ATOM 719 C MET A 589 35.475 -28.185 -2.151 1.00 33.91 C +ATOM 720 O MET A 589 35.704 -28.082 -0.952 1.00 35.52 O +ATOM 721 CB MET A 589 33.615 -29.791 -2.263 1.00 35.53 C +ATOM 722 CG MET A 589 33.113 -31.073 -2.876 1.00 37.97 C +ATOM 723 SD MET A 589 31.625 -31.656 -2.119 1.00 40.37 S +ATOM 724 CE MET A 589 31.829 -33.412 -2.332 1.00 39.46 C +ATOM 725 N GLY A 590 35.611 -27.186 -3.009 1.00 35.48 N +ATOM 726 CA GLY A 590 36.208 -25.944 -2.599 1.00 37.70 C +ATOM 727 C GLY A 590 37.656 -26.245 -2.257 1.00 38.58 C +ATOM 728 O GLY A 590 38.327 -27.026 -2.963 1.00 38.16 O +ATOM 729 N LYS A 591 38.146 -25.626 -1.184 1.00 38.16 N +ATOM 730 CA LYS A 591 39.511 -25.872 -0.746 1.00 39.64 C +ATOM 731 C LYS A 591 39.556 -26.375 0.689 1.00 40.14 C +ATOM 732 O LYS A 591 40.611 -26.779 1.159 1.00 40.24 O +ATOM 733 CB LYS A 591 40.358 -24.604 -0.922 1.00 38.34 C +ATOM 734 CG LYS A 591 40.223 -24.003 -2.308 1.00 39.46 C +ATOM 735 CD LYS A 591 41.116 -22.801 -2.537 1.00 39.27 C +ATOM 736 CE LYS A 591 40.833 -22.175 -3.904 1.00 37.93 C +ATOM 737 NZ LYS A 591 41.233 -23.074 -4.997 1.00 35.34 N +ATOM 738 N ASN A 592 38.410 -26.391 1.365 1.00 41.88 N +ATOM 739 CA ASN A 592 38.358 -26.764 2.776 1.00 44.26 C +ATOM 740 C ASN A 592 37.540 -28.013 3.126 1.00 45.30 C +ATOM 741 O ASN A 592 37.292 -28.274 4.307 1.00 45.47 O +ATOM 742 CB ASN A 592 37.840 -25.560 3.565 1.00 46.63 C +ATOM 743 CG ASN A 592 38.801 -24.396 3.513 1.00 47.14 C +ATOM 744 OD1 ASN A 592 39.937 -24.509 3.989 1.00 49.48 O +ATOM 745 ND2 ASN A 592 38.372 -23.281 2.908 1.00 43.69 N +ATOM 746 N HIS A 593 37.132 -28.790 2.121 1.00 45.11 N +ATOM 747 CA HIS A 593 36.296 -29.975 2.367 1.00 42.19 C +ATOM 748 C HIS A 593 36.830 -31.169 1.610 1.00 40.68 C +ATOM 749 O HIS A 593 36.808 -31.180 0.385 1.00 42.97 O +ATOM 750 CB HIS A 593 34.853 -29.688 1.996 1.00 41.20 C +ATOM 751 CG HIS A 593 34.277 -28.523 2.732 1.00 42.52 C +ATOM 752 ND1 HIS A 593 33.745 -28.634 3.996 1.00 43.04 N +ATOM 753 CD2 HIS A 593 34.176 -27.212 2.395 1.00 44.30 C +ATOM 754 CE1 HIS A 593 33.321 -27.447 4.400 1.00 43.02 C +ATOM 755 NE2 HIS A 593 33.571 -26.567 3.448 1.00 42.81 N +ATOM 756 N VAL A 594 37.326 -32.153 2.358 1.00 36.50 N +ATOM 757 CA VAL A 594 37.840 -33.384 1.799 1.00 35.82 C +ATOM 758 C VAL A 594 37.028 -34.594 2.257 1.00 35.41 C +ATOM 759 O VAL A 594 36.798 -34.802 3.466 1.00 33.04 O +ATOM 760 CB VAL A 594 39.308 -33.621 2.221 1.00 35.48 C +ATOM 761 CG1 VAL A 594 39.932 -34.796 1.389 1.00 30.08 C +ATOM 762 CG2 VAL A 594 40.096 -32.332 2.068 1.00 33.49 C +ATOM 763 N PHE A 595 36.630 -35.414 1.291 1.00 35.00 N +ATOM 764 CA PHE A 595 35.884 -36.623 1.585 1.00 35.51 C +ATOM 765 C PHE A 595 36.474 -37.845 0.943 1.00 33.17 C +ATOM 766 O PHE A 595 37.226 -37.744 -0.014 1.00 32.30 O +ATOM 767 CB PHE A 595 34.464 -36.482 1.062 1.00 36.83 C +ATOM 768 CG PHE A 595 33.730 -35.325 1.635 1.00 36.37 C +ATOM 769 CD1 PHE A 595 33.117 -35.426 2.864 1.00 37.62 C +ATOM 770 CD2 PHE A 595 33.644 -34.138 0.942 1.00 37.74 C +ATOM 771 CE1 PHE A 595 32.433 -34.362 3.398 1.00 38.41 C +ATOM 772 CE2 PHE A 595 32.956 -33.066 1.469 1.00 38.81 C +ATOM 773 CZ PHE A 595 32.352 -33.175 2.700 1.00 37.10 C +ATOM 774 N ARG A 596 36.108 -39.010 1.465 1.00 35.54 N +ATOM 775 CA ARG A 596 36.182 -40.239 0.672 1.00 37.46 C +ATOM 776 C ARG A 596 34.790 -40.733 0.310 1.00 34.58 C +ATOM 777 O ARG A 596 33.868 -40.686 1.113 1.00 34.02 O +ATOM 778 CB ARG A 596 36.966 -41.343 1.374 1.00 38.62 C +ATOM 779 CG ARG A 596 37.833 -42.107 0.379 1.00 41.86 C +ATOM 780 CD ARG A 596 38.416 -43.385 0.910 1.00 43.55 C +ATOM 781 NE ARG A 596 39.088 -43.194 2.187 1.00 47.65 N +ATOM 782 CZ ARG A 596 40.286 -42.626 2.348 1.00 50.46 C +ATOM 783 NH1 ARG A 596 40.979 -42.158 1.295 1.00 49.25 N +ATOM 784 NH2 ARG A 596 40.788 -42.514 3.584 1.00 49.67 N +ATOM 785 N PHE A 597 34.654 -41.173 -0.925 1.00 34.19 N +ATOM 786 CA PHE A 597 33.495 -41.918 -1.356 1.00 36.94 C +ATOM 787 C PHE A 597 33.752 -43.410 -1.114 1.00 38.10 C +ATOM 788 O PHE A 597 34.716 -43.981 -1.620 1.00 37.12 O +ATOM 789 CB PHE A 597 33.218 -41.665 -2.827 1.00 33.82 C +ATOM 790 CG PHE A 597 32.103 -42.484 -3.368 1.00 34.25 C +ATOM 791 CD1 PHE A 597 32.361 -43.630 -4.097 1.00 34.42 C +ATOM 792 CD2 PHE A 597 30.779 -42.115 -3.143 1.00 34.60 C +ATOM 793 CE1 PHE A 597 31.331 -44.399 -4.602 1.00 33.09 C +ATOM 794 CE2 PHE A 597 29.742 -42.877 -3.655 1.00 33.90 C +ATOM 795 CZ PHE A 597 30.020 -44.021 -4.384 1.00 33.37 C +ATOM 796 N ASN A 598 32.876 -44.024 -0.332 1.00 42.71 N +ATOM 797 CA ASN A 598 32.989 -45.421 0.041 1.00 45.87 C +ATOM 798 C ASN A 598 31.744 -46.136 -0.361 1.00 49.10 C +ATOM 799 O ASN A 598 30.647 -45.756 0.023 1.00 47.40 O +ATOM 800 CB ASN A 598 33.174 -45.534 1.546 1.00 51.00 C +ATOM 801 CG ASN A 598 34.605 -45.249 1.970 1.00 57.61 C +ATOM 802 OD1 ASN A 598 35.537 -45.900 1.469 1.00 63.68 O +ATOM 803 ND2 ASN A 598 34.803 -44.266 2.879 1.00 58.17 N +ATOM 804 N HIS A 599 31.895 -47.175 -1.145 1.00 54.35 N +ATOM 805 CA HIS A 599 30.735 -47.891 -1.591 1.00 59.72 C +ATOM 806 C HIS A 599 30.666 -49.241 -0.922 1.00 61.88 C +ATOM 807 O HIS A 599 29.823 -49.437 -0.022 1.00 66.43 O +ATOM 808 CB HIS A 599 30.781 -48.058 -3.079 1.00 62.88 C +ATOM 809 CG HIS A 599 29.460 -48.360 -3.664 1.00 65.08 C +ATOM 810 ND1 HIS A 599 29.056 -47.847 -4.876 1.00 67.36 N +ATOM 811 CD2 HIS A 599 28.428 -49.101 -3.193 1.00 67.03 C +ATOM 812 CE1 HIS A 599 27.835 -48.282 -5.139 1.00 69.87 C +ATOM 813 NE2 HIS A 599 27.433 -49.047 -4.135 1.00 68.89 N +ATOM 814 OXT HIS A 599 31.442 -50.137 -1.282 1.00 58.61 O Added: SwiftApps/modFTdock/input/indata/2g7r-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2g7r-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2g7r-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,665 @@ +ATOM 1 N THR A 29 -18.972 17.409 16.165 1.00 20.56 N +ATOM 2 CA THR A 29 -17.674 16.866 15.673 1.00 22.54 C +ATOM 3 C THR A 29 -17.869 15.569 14.906 1.00 24.89 C +ATOM 4 O THR A 29 -18.587 14.660 15.366 1.00 24.47 O +ATOM 5 CB THR A 29 -16.580 16.732 16.786 1.00 22.57 C +ATOM 6 OG1 THR A 29 -15.745 17.894 16.765 1.00 20.94 O +ATOM 7 CG2 THR A 29 -15.653 15.535 16.563 1.00 22.45 C +ATOM 8 N LEU A 30 -17.203 15.515 13.745 1.00 24.32 N +ATOM 9 CA LEU A 30 -17.353 14.452 12.744 1.00 24.85 C +ATOM 10 C LEU A 30 -17.177 13.000 13.211 1.00 24.97 C +ATOM 11 O LEU A 30 -17.896 12.122 12.761 1.00 26.61 O +ATOM 12 CB LEU A 30 -16.415 14.727 11.566 1.00 24.86 C +ATOM 13 CG LEU A 30 -16.932 15.432 10.314 1.00 22.53 C +ATOM 14 CD1 LEU A 30 -18.030 16.464 10.592 1.00 23.12 C +ATOM 15 CD2 LEU A 30 -15.752 16.046 9.615 1.00 20.00 C +ATOM 16 N ASN A 31 -16.228 12.724 14.088 1.00 24.08 N +ATOM 17 CA ASN A 31 -16.023 11.330 14.489 1.00 24.30 C +ATOM 18 C ASN A 31 -17.020 10.906 15.572 1.00 24.77 C +ATOM 19 O ASN A 31 -17.003 9.750 16.038 1.00 23.44 O +ATOM 20 CB ASN A 31 -14.604 11.137 14.987 1.00 23.23 C +ATOM 21 CG ASN A 31 -14.227 12.160 16.012 1.00 21.55 C +ATOM 22 OD1 ASN A 31 -14.661 13.309 15.940 1.00 19.83 O +ATOM 23 ND2 ASN A 31 -13.423 11.757 16.980 1.00 21.26 N +ATOM 24 N ARG A 32 -17.889 11.852 15.949 1.00 24.35 N +ATOM 25 CA ARG A 32 -18.881 11.660 17.010 1.00 22.68 C +ATOM 26 C ARG A 32 -20.318 11.645 16.508 1.00 22.74 C +ATOM 27 O ARG A 32 -21.222 11.682 17.323 1.00 25.33 O +ATOM 28 CB ARG A 32 -18.757 12.746 18.099 1.00 22.16 C +ATOM 29 CG ARG A 32 -17.461 12.752 18.923 1.00 22.65 C +ATOM 30 CD ARG A 32 -17.299 11.496 19.766 1.00 22.71 C +ATOM 31 NE ARG A 32 -16.042 11.497 20.519 1.00 27.16 N +ATOM 32 CZ ARG A 32 -15.336 10.405 20.826 1.00 26.58 C +ATOM 33 NH1 ARG A 32 -15.754 9.203 20.426 1.00 24.46 N +ATOM 34 NH2 ARG A 32 -14.202 10.515 21.521 1.00 22.53 N +ATOM 35 N LEU A 33 -20.553 11.615 15.197 1.00 22.01 N +ATOM 36 CA LEU A 33 -21.918 11.395 14.691 1.00 22.56 C +ATOM 37 C LEU A 33 -22.229 9.893 14.694 1.00 22.85 C +ATOM 38 O LEU A 33 -21.325 9.072 14.744 1.00 24.82 O +ATOM 39 CB LEU A 33 -22.093 11.961 13.274 1.00 23.22 C +ATOM 40 CG LEU A 33 -21.518 13.322 12.884 1.00 24.13 C +ATOM 41 CD1 LEU A 33 -21.309 13.410 11.375 1.00 21.88 C +ATOM 42 CD2 LEU A 33 -22.409 14.442 13.393 1.00 21.80 C +ATOM 43 N ARG A 34 -23.497 9.515 14.620 1.00 24.87 N +ATOM 44 CA ARG A 34 -23.827 8.099 14.698 1.00 26.07 C +ATOM 45 C ARG A 34 -23.386 7.398 13.426 1.00 26.77 C +ATOM 46 O ARG A 34 -23.328 8.016 12.365 1.00 25.56 O +ATOM 47 CB ARG A 34 -25.313 7.882 14.937 1.00 26.36 C +ATOM 48 CG ARG A 34 -25.949 8.800 15.981 1.00 29.72 C +ATOM 49 CD ARG A 34 -27.296 9.291 15.451 1.00 36.41 C +ATOM 50 NE ARG A 34 -27.262 9.402 13.978 1.00 41.12 N +ATOM 51 CZ ARG A 34 -28.023 8.699 13.130 1.00 40.42 C +ATOM 52 NH1 ARG A 34 -28.925 7.824 13.586 1.00 38.74 N +ATOM 53 NH2 ARG A 34 -27.885 8.876 11.816 1.00 38.22 N +ATOM 54 N GLU A 35 -23.080 6.103 13.549 1.00 29.05 N +ATOM 55 CA GLU A 35 -22.528 5.294 12.444 1.00 29.33 C +ATOM 56 C GLU A 35 -23.280 5.419 11.141 1.00 29.07 C +ATOM 57 O GLU A 35 -22.654 5.584 10.104 1.00 29.54 O +ATOM 58 CB GLU A 35 -22.333 3.827 12.848 1.00 28.96 C +ATOM 59 CG GLU A 35 -20.931 3.589 13.343 1.00 33.80 C +ATOM 60 CD GLU A 35 -20.188 4.910 13.604 1.00 38.91 C +ATOM 61 OE1 GLU A 35 -20.512 5.589 14.615 1.00 38.29 O +ATOM 62 OE2 GLU A 35 -19.301 5.278 12.782 1.00 41.78 O +ATOM 63 N PRO A 36 -24.623 5.337 11.187 1.00 29.03 N +ATOM 64 CA PRO A 36 -25.395 5.565 9.973 1.00 28.82 C +ATOM 65 C PRO A 36 -25.045 6.891 9.286 1.00 29.08 C +ATOM 66 O PRO A 36 -24.943 6.935 8.062 1.00 30.04 O +ATOM 67 CB PRO A 36 -26.839 5.579 10.490 1.00 28.59 C +ATOM 68 CG PRO A 36 -26.806 4.666 11.661 1.00 27.03 C +ATOM 69 CD PRO A 36 -25.501 4.997 12.326 1.00 27.69 C +ATOM 70 N LEU A 37 -24.842 7.954 10.060 1.00 28.20 N +ATOM 71 CA LEU A 37 -24.585 9.252 9.453 1.00 27.53 C +ATOM 72 C LEU A 37 -23.222 9.232 8.793 1.00 27.19 C +ATOM 73 O LEU A 37 -23.098 9.466 7.592 1.00 28.69 O +ATOM 74 CB LEU A 37 -24.678 10.392 10.474 1.00 26.06 C +ATOM 75 CG LEU A 37 -24.812 11.725 9.734 1.00 26.66 C +ATOM 76 CD1 LEU A 37 -26.042 11.704 8.816 1.00 25.75 C +ATOM 77 CD2 LEU A 37 -24.842 12.912 10.681 1.00 24.36 C +ATOM 78 N LEU A 38 -22.212 8.923 9.596 1.00 26.35 N +ATOM 79 CA LEU A 38 -20.854 8.865 9.145 1.00 25.59 C +ATOM 80 C LEU A 38 -20.701 7.895 7.963 1.00 27.63 C +ATOM 81 O LEU A 38 -20.153 8.265 6.923 1.00 29.59 O +ATOM 82 CB LEU A 38 -19.954 8.486 10.314 1.00 25.29 C +ATOM 83 CG LEU A 38 -18.633 9.248 10.297 1.00 24.77 C +ATOM 84 CD1 LEU A 38 -17.691 8.628 9.318 1.00 26.78 C +ATOM 85 CD2 LEU A 38 -18.856 10.698 9.915 1.00 22.69 C +ATOM 86 N ARG A 39 -21.202 6.669 8.117 1.00 27.37 N +ATOM 87 CA ARG A 39 -21.185 5.656 7.060 1.00 25.84 C +ATOM 88 C ARG A 39 -21.877 6.187 5.796 1.00 25.31 C +ATOM 89 O ARG A 39 -21.350 6.055 4.689 1.00 25.73 O +ATOM 90 CB ARG A 39 -21.853 4.373 7.576 1.00 26.02 C +ATOM 91 CG ARG A 39 -22.103 3.274 6.561 1.00 28.32 C +ATOM 92 CD ARG A 39 -20.895 2.355 6.452 1.00 32.71 C +ATOM 93 NE ARG A 39 -20.851 1.657 5.167 1.00 32.84 N +ATOM 94 CZ ARG A 39 -20.340 2.166 4.045 1.00 33.09 C +ATOM 95 NH1 ARG A 39 -19.827 3.394 4.023 1.00 33.28 N +ATOM 96 NH2 ARG A 39 -20.353 1.448 2.932 1.00 32.62 N +ATOM 97 N ARG A 40 -23.042 6.805 5.963 1.00 23.99 N +ATOM 98 CA ARG A 40 -23.780 7.361 4.834 1.00 24.48 C +ATOM 99 C ARG A 40 -22.959 8.448 4.139 1.00 24.80 C +ATOM 100 O ARG A 40 -22.818 8.435 2.916 1.00 25.84 O +ATOM 101 CB ARG A 40 -25.108 7.935 5.306 1.00 24.16 C +ATOM 102 CG ARG A 40 -25.955 8.557 4.235 1.00 26.48 C +ATOM 103 CD ARG A 40 -26.739 7.502 3.497 1.00 31.26 C +ATOM 104 NE ARG A 40 -26.311 7.360 2.104 1.00 34.40 N +ATOM 105 CZ ARG A 40 -27.000 7.822 1.058 1.00 33.89 C +ATOM 106 NH1 ARG A 40 -28.150 8.469 1.241 1.00 32.22 N +ATOM 107 NH2 ARG A 40 -26.537 7.644 -0.176 1.00 32.56 N +ATOM 108 N LEU A 41 -22.425 9.382 4.926 1.00 23.55 N +ATOM 109 CA LEU A 41 -21.582 10.456 4.419 1.00 22.95 C +ATOM 110 C LEU A 41 -20.304 9.962 3.700 1.00 24.41 C +ATOM 111 O LEU A 41 -19.829 10.603 2.764 1.00 23.08 O +ATOM 112 CB LEU A 41 -21.187 11.366 5.578 1.00 22.12 C +ATOM 113 CG LEU A 41 -21.822 12.754 5.749 1.00 23.49 C +ATOM 114 CD1 LEU A 41 -23.268 12.852 5.221 1.00 16.30 C +ATOM 115 CD2 LEU A 41 -21.722 13.201 7.235 1.00 22.91 C +ATOM 116 N SER A 42 -19.737 8.837 4.142 1.00 23.52 N +ATOM 117 CA SER A 42 -18.449 8.427 3.628 1.00 22.89 C +ATOM 118 C SER A 42 -18.558 7.819 2.231 1.00 23.50 C +ATOM 119 O SER A 42 -17.754 8.141 1.359 1.00 23.29 O +ATOM 120 CB SER A 42 -17.708 7.503 4.611 1.00 23.08 C +ATOM 121 OG SER A 42 -18.521 6.446 5.087 1.00 25.49 O +ATOM 122 N GLU A 43 -19.566 6.970 2.020 1.00 23.66 N +ATOM 123 CA GLU A 43 -19.773 6.305 0.731 1.00 22.38 C +ATOM 124 C GLU A 43 -20.230 7.269 -0.347 1.00 22.73 C +ATOM 125 O GLU A 43 -19.956 7.057 -1.530 1.00 23.52 O +ATOM 126 CB GLU A 43 -20.763 5.152 0.862 1.00 21.89 C +ATOM 127 CG GLU A 43 -22.156 5.559 1.260 1.00 25.39 C +ATOM 128 CD GLU A 43 -22.921 4.434 1.940 1.00 32.28 C +ATOM 129 OE1 GLU A 43 -22.274 3.511 2.488 1.00 32.37 O +ATOM 130 OE2 GLU A 43 -24.176 4.474 1.932 1.00 33.99 O +ATOM 131 N LEU A 44 -20.934 8.323 0.058 1.00 22.94 N +ATOM 132 CA LEU A 44 -21.349 9.361 -0.874 1.00 23.83 C +ATOM 133 C LEU A 44 -20.117 10.106 -1.359 1.00 24.93 C +ATOM 134 O LEU A 44 -20.012 10.446 -2.542 1.00 25.87 O +ATOM 135 CB LEU A 44 -22.339 10.324 -0.236 1.00 23.13 C +ATOM 136 CG LEU A 44 -23.826 9.961 -0.244 1.00 25.43 C +ATOM 137 CD1 LEU A 44 -24.588 10.997 0.598 1.00 25.63 C +ATOM 138 CD2 LEU A 44 -24.430 9.858 -1.653 1.00 21.55 C +ATOM 139 N LEU A 45 -19.179 10.335 -0.445 1.00 25.31 N +ATOM 140 CA LEU A 45 -17.875 10.899 -0.788 1.00 26.54 C +ATOM 141 C LEU A 45 -17.008 9.921 -1.618 1.00 26.72 C +ATOM 142 O LEU A 45 -16.262 10.356 -2.502 1.00 27.63 O +ATOM 143 CB LEU A 45 -17.130 11.325 0.481 1.00 25.80 C +ATOM 144 CG LEU A 45 -16.533 12.727 0.585 1.00 26.61 C +ATOM 145 CD1 LEU A 45 -15.286 12.673 1.457 1.00 25.24 C +ATOM 146 CD2 LEU A 45 -16.211 13.395 -0.776 1.00 27.47 C +ATOM 147 N ASP A 46 -17.110 8.618 -1.332 1.00 26.94 N +ATOM 148 CA ASP A 46 -16.459 7.563 -2.123 1.00 28.24 C +ATOM 149 C ASP A 46 -16.928 7.492 -3.582 1.00 30.91 C +ATOM 150 O ASP A 46 -16.708 6.482 -4.259 1.00 31.91 O +ATOM 151 N GLN A 47 -17.591 8.551 -4.066 1.00 31.75 N +ATOM 152 CA GLN A 47 -17.928 8.706 -5.501 1.00 32.22 C +ATOM 153 C GLN A 47 -18.023 10.182 -5.939 1.00 31.89 C +ATOM 154 O GLN A 47 -18.984 10.865 -5.601 1.00 32.04 O +ATOM 155 CB GLN A 47 -19.193 7.921 -5.869 1.00 30.98 C +ATOM 156 CG GLN A 47 -20.341 8.054 -4.873 1.00 33.62 C +ATOM 157 CD GLN A 47 -20.813 6.711 -4.357 1.00 33.79 C +ATOM 158 OE1 GLN A 47 -19.999 5.822 -4.099 1.00 36.39 O +ATOM 159 NE2 GLN A 47 -22.124 6.559 -4.183 1.00 30.43 N +ATOM 160 N ALA A 48 -17.021 10.648 -6.701 1.00 32.80 N +ATOM 161 CA ALA A 48 -16.811 12.081 -6.992 1.00 32.96 C +ATOM 162 C ALA A 48 -15.451 12.390 -7.646 1.00 31.93 C +ATOM 163 O ALA A 48 -15.246 12.179 -8.846 1.00 32.20 O +ATOM 164 CB ALA A 48 -16.965 12.918 -5.690 1.00 33.50 C +ATOM 165 N GLY A 53 -14.392 14.947 -4.441 1.00 8.38 N +ATOM 166 CA GLY A 53 -13.760 13.735 -3.902 1.00 12.07 C +ATOM 167 C GLY A 53 -13.022 13.912 -2.581 1.00 12.76 C +ATOM 168 O GLY A 53 -12.793 15.023 -2.129 1.00 14.41 O +ATOM 169 N TRP A 54 -12.612 12.814 -1.965 1.00 14.67 N +ATOM 170 CA TRP A 54 -11.965 12.925 -0.661 1.00 17.35 C +ATOM 171 C TRP A 54 -10.551 13.497 -0.717 1.00 18.31 C +ATOM 172 O TRP A 54 -10.106 14.075 0.293 1.00 22.22 O +ATOM 173 CB TRP A 54 -11.972 11.604 0.118 1.00 15.81 C +ATOM 174 CG TRP A 54 -11.159 10.560 -0.500 1.00 16.38 C +ATOM 175 CD1 TRP A 54 -11.578 9.636 -1.410 1.00 19.35 C +ATOM 176 CD2 TRP A 54 -9.769 10.282 -0.256 1.00 19.66 C +ATOM 177 NE1 TRP A 54 -10.531 8.800 -1.760 1.00 18.24 N +ATOM 178 CE2 TRP A 54 -9.411 9.180 -1.070 1.00 15.10 C +ATOM 179 CE3 TRP A 54 -8.789 10.859 0.572 1.00 22.31 C +ATOM 180 CZ2 TRP A 54 -8.128 8.657 -1.093 1.00 14.40 C +ATOM 181 CZ3 TRP A 54 -7.506 10.332 0.551 1.00 16.30 C +ATOM 182 CH2 TRP A 54 -7.191 9.242 -0.276 1.00 18.02 C +ATOM 183 N ARG A 55 -9.843 13.358 -1.846 1.00 14.48 N +ATOM 184 CA ARG A 55 -8.515 13.974 -1.941 1.00 14.07 C +ATOM 185 C ARG A 55 -8.634 15.470 -2.150 1.00 13.53 C +ATOM 186 O ARG A 55 -7.779 16.240 -1.702 1.00 14.43 O +ATOM 187 CB ARG A 55 -7.644 13.378 -3.044 1.00 12.59 C +ATOM 188 CG ARG A 55 -7.710 11.884 -3.152 1.00 14.67 C +ATOM 189 CD ARG A 55 -6.603 11.365 -4.038 1.00 17.45 C +ATOM 190 NE ARG A 55 -5.407 10.971 -3.294 1.00 18.43 N +ATOM 191 CZ ARG A 55 -4.954 9.722 -3.217 1.00 16.67 C +ATOM 192 NH1 ARG A 55 -5.600 8.742 -3.836 1.00 16.15 N +ATOM 193 NH2 ARG A 55 -3.856 9.449 -2.528 1.00 14.35 N +ATOM 194 N ARG A 56 -9.693 15.886 -2.826 1.00 12.58 N +ATOM 195 CA ARG A 56 -9.895 17.300 -3.048 1.00 14.01 C +ATOM 196 C ARG A 56 -10.282 17.919 -1.707 1.00 15.74 C +ATOM 197 O ARG A 56 -9.660 18.892 -1.267 1.00 15.26 O +ATOM 198 CB ARG A 56 -10.935 17.521 -4.154 1.00 12.97 C +ATOM 199 CG ARG A 56 -11.164 18.971 -4.603 1.00 14.50 C +ATOM 200 CD ARG A 56 -9.941 19.878 -4.496 1.00 14.54 C +ATOM 201 NE ARG A 56 -10.287 21.281 -4.733 1.00 17.24 N +ATOM 202 CZ ARG A 56 -9.580 22.333 -4.302 1.00 20.80 C +ATOM 203 NH1 ARG A 56 -8.475 22.158 -3.580 1.00 20.23 N +ATOM 204 NH2 ARG A 56 -9.983 23.575 -4.588 1.00 20.63 N +ATOM 205 N LEU A 57 -11.270 17.310 -1.041 1.00 18.56 N +ATOM 206 CA LEU A 57 -11.695 17.717 0.297 1.00 18.94 C +ATOM 207 C LEU A 57 -10.500 17.851 1.207 1.00 18.91 C +ATOM 208 O LEU A 57 -10.248 18.922 1.752 1.00 18.95 O +ATOM 209 CB LEU A 57 -12.706 16.727 0.900 1.00 20.34 C +ATOM 210 CG LEU A 57 -13.123 16.985 2.367 1.00 19.49 C +ATOM 211 CD1 LEU A 57 -13.751 18.354 2.534 1.00 18.59 C +ATOM 212 CD2 LEU A 57 -14.086 15.917 2.834 1.00 18.38 C +ATOM 213 N ALA A 58 -9.770 16.750 1.358 1.00 19.46 N +ATOM 214 CA ALA A 58 -8.585 16.696 2.201 1.00 18.58 C +ATOM 215 C ALA A 58 -7.611 17.800 1.799 1.00 20.05 C +ATOM 216 O ALA A 58 -6.966 18.398 2.650 1.00 20.39 O +ATOM 217 CB ALA A 58 -7.944 15.369 2.054 1.00 17.39 C +ATOM 218 N GLU A 59 -7.532 18.088 0.497 1.00 21.26 N +ATOM 219 CA GLU A 59 -6.606 19.095 -0.020 1.00 20.53 C +ATOM 220 C GLU A 59 -7.053 20.516 0.312 1.00 20.11 C +ATOM 221 O GLU A 59 -6.228 21.381 0.617 1.00 18.26 O +ATOM 222 CB GLU A 59 -6.449 18.941 -1.520 1.00 20.34 C +ATOM 223 CG GLU A 59 -5.049 19.201 -1.976 1.00 22.94 C +ATOM 224 CD GLU A 59 -5.005 20.227 -3.079 1.00 27.05 C +ATOM 225 OE1 GLU A 59 -6.017 20.353 -3.807 1.00 29.04 O +ATOM 226 OE2 GLU A 59 -3.962 20.914 -3.219 1.00 28.38 O +ATOM 227 N LEU A 60 -8.366 20.727 0.257 1.00 20.93 N +ATOM 228 CA LEU A 60 -9.006 22.011 0.545 1.00 22.37 C +ATOM 229 C LEU A 60 -8.871 22.412 2.027 1.00 22.82 C +ATOM 230 O LEU A 60 -8.722 23.589 2.356 1.00 23.27 O +ATOM 231 CB LEU A 60 -10.487 21.922 0.154 1.00 21.77 C +ATOM 232 CG LEU A 60 -11.297 23.154 -0.234 1.00 21.91 C +ATOM 233 CD1 LEU A 60 -11.473 24.125 0.911 1.00 23.79 C +ATOM 234 CD2 LEU A 60 -10.660 23.855 -1.411 1.00 26.59 C +ATOM 235 N ALA A 61 -8.932 21.420 2.905 1.00 23.77 N +ATOM 236 CA ALA A 61 -8.791 21.606 4.339 1.00 25.08 C +ATOM 237 C ALA A 61 -7.324 21.345 4.760 1.00 26.49 C +ATOM 238 O ALA A 61 -6.865 20.201 4.780 1.00 26.81 O +ATOM 239 CB ALA A 61 -9.741 20.665 5.040 1.00 23.00 C +ATOM 240 N GLY A 62 -6.571 22.402 5.057 1.00 27.42 N +ATOM 241 CA GLY A 62 -5.136 22.249 5.358 1.00 27.40 C +ATOM 242 C GLY A 62 -4.225 22.903 4.335 1.00 27.28 C +ATOM 243 O GLY A 62 -4.215 24.131 4.196 1.00 28.24 O +ATOM 244 N LEU A 69 -3.310 18.542 8.667 1.00 24.07 N +ATOM 245 CA LEU A 69 -3.548 17.366 7.781 1.00 27.01 C +ATOM 246 C LEU A 69 -2.496 17.245 6.660 1.00 25.61 C +ATOM 247 O LEU A 69 -2.320 18.186 5.909 1.00 27.23 O +ATOM 248 CB LEU A 69 -4.947 17.452 7.140 1.00 27.22 C +ATOM 249 CG LEU A 69 -5.753 16.178 6.861 1.00 27.63 C +ATOM 250 CD1 LEU A 69 -6.280 15.566 8.176 1.00 29.26 C +ATOM 251 CD2 LEU A 69 -6.922 16.496 5.962 1.00 24.27 C +ATOM 252 N SER A 70 -1.809 16.110 6.538 1.00 24.51 N +ATOM 253 CA SER A 70 -0.696 15.994 5.585 1.00 23.62 C +ATOM 254 C SER A 70 -0.773 14.752 4.717 1.00 23.91 C +ATOM 255 O SER A 70 -1.556 13.850 4.992 1.00 24.45 O +ATOM 256 CB SER A 70 0.630 15.959 6.335 1.00 23.59 C +ATOM 257 OG SER A 70 0.744 14.744 7.062 1.00 26.62 O +ATOM 258 N CYS A 71 0.067 14.720 3.681 1.00 24.05 N +ATOM 259 CA CYS A 71 0.321 13.542 2.846 1.00 22.74 C +ATOM 260 C CYS A 71 0.301 12.248 3.618 1.00 22.22 C +ATOM 261 O CYS A 71 -0.506 11.375 3.323 1.00 22.23 O +ATOM 262 CB CYS A 71 1.684 13.665 2.171 1.00 24.14 C +ATOM 263 SG CYS A 71 1.623 14.525 0.615 1.00 26.60 S +ATOM 264 N LEU A 72 1.178 12.118 4.613 1.00 23.25 N +ATOM 265 CA LEU A 72 1.248 10.873 5.387 1.00 25.16 C +ATOM 266 C LEU A 72 -0.021 10.595 6.210 1.00 25.98 C +ATOM 267 O LEU A 72 -0.445 9.444 6.336 1.00 27.47 O +ATOM 268 CB LEU A 72 2.552 10.727 6.198 1.00 24.80 C +ATOM 269 CG LEU A 72 3.307 11.867 6.891 1.00 26.34 C +ATOM 270 CD1 LEU A 72 4.468 11.259 7.683 1.00 25.28 C +ATOM 271 CD2 LEU A 72 3.831 12.968 5.936 1.00 25.95 C +ATOM 272 N ASP A 73 -0.660 11.648 6.715 1.00 26.58 N +ATOM 273 CA ASP A 73 -1.984 11.500 7.326 1.00 27.55 C +ATOM 274 C ASP A 73 -2.950 10.851 6.324 1.00 27.06 C +ATOM 275 O ASP A 73 -3.592 9.860 6.629 1.00 27.31 O +ATOM 276 CB ASP A 73 -2.512 12.844 7.852 1.00 27.65 C +ATOM 277 CG ASP A 73 -1.573 13.490 8.886 1.00 29.76 C +ATOM 278 OD1 ASP A 73 -1.662 14.728 9.082 1.00 34.86 O +ATOM 279 OD2 ASP A 73 -0.755 12.777 9.516 1.00 28.09 O +ATOM 280 N LEU A 74 -2.983 11.377 5.105 1.00 27.56 N +ATOM 281 CA LEU A 74 -3.837 10.849 4.037 1.00 27.18 C +ATOM 282 C LEU A 74 -3.520 9.403 3.608 1.00 27.56 C +ATOM 283 O LEU A 74 -4.406 8.687 3.137 1.00 28.53 O +ATOM 284 CB LEU A 74 -3.804 11.768 2.804 1.00 26.15 C +ATOM 285 CG LEU A 74 -4.034 13.284 2.949 1.00 25.58 C +ATOM 286 CD1 LEU A 74 -4.382 13.919 1.593 1.00 21.40 C +ATOM 287 CD2 LEU A 74 -5.112 13.593 4.004 1.00 22.03 C +ATOM 288 N GLU A 75 -2.280 8.961 3.753 1.00 26.15 N +ATOM 289 CA GLU A 75 -1.989 7.598 3.338 1.00 26.43 C +ATOM 290 C GLU A 75 -2.762 6.566 4.152 1.00 26.11 C +ATOM 291 O GLU A 75 -3.304 5.630 3.585 1.00 27.28 O +ATOM 292 CB GLU A 75 -0.487 7.312 3.281 1.00 26.63 C +ATOM 293 CG GLU A 75 0.063 7.612 1.893 1.00 29.02 C +ATOM 294 CD GLU A 75 1.583 7.711 1.824 1.00 33.10 C +ATOM 295 OE1 GLU A 75 2.275 7.240 2.753 1.00 33.72 O +ATOM 296 OE2 GLU A 75 2.092 8.272 0.824 1.00 33.58 O +ATOM 297 N GLN A 76 -2.846 6.751 5.469 1.00 25.27 N +ATOM 298 CA GLN A 76 -3.664 5.875 6.319 1.00 23.16 C +ATOM 299 C GLN A 76 -5.015 5.635 5.657 1.00 22.16 C +ATOM 300 O GLN A 76 -5.597 4.549 5.760 1.00 22.97 O +ATOM 301 CB GLN A 76 -3.902 6.522 7.688 1.00 23.88 C +ATOM 302 CG GLN A 76 -2.636 6.942 8.441 1.00 25.77 C +ATOM 303 CD GLN A 76 -2.021 5.818 9.269 1.00 26.11 C +ATOM 304 OE1 GLN A 76 -2.292 4.638 9.040 1.00 26.16 O +ATOM 305 NE2 GLN A 76 -1.184 6.186 10.235 1.00 25.45 N +ATOM 306 N CYS A 77 -5.493 6.673 4.973 1.00 20.00 N +ATOM 307 CA CYS A 77 -6.819 6.719 4.398 1.00 20.41 C +ATOM 308 C CYS A 77 -6.858 6.061 3.034 1.00 20.44 C +ATOM 309 O CYS A 77 -7.816 5.368 2.696 1.00 21.15 O +ATOM 310 CB CYS A 77 -7.305 8.170 4.309 1.00 19.17 C +ATOM 311 SG CYS A 77 -7.714 8.901 5.917 1.00 29.82 S +ATOM 312 N SER A 78 -5.808 6.297 2.258 1.00 19.65 N +ATOM 313 CA SER A 78 -5.702 5.840 0.896 1.00 17.83 C +ATOM 314 C SER A 78 -5.658 4.323 0.852 1.00 17.48 C +ATOM 315 O SER A 78 -6.307 3.679 0.013 1.00 16.47 O +ATOM 316 CB SER A 78 -4.422 6.412 0.326 1.00 18.18 C +ATOM 317 OG SER A 78 -4.208 5.947 -0.985 1.00 25.23 O +ATOM 318 N LEU A 79 -4.885 3.761 1.775 1.00 17.90 N +ATOM 319 CA LEU A 79 -4.699 2.327 1.888 1.00 18.64 C +ATOM 320 C LEU A 79 -5.923 1.568 2.414 1.00 21.39 C +ATOM 321 O LEU A 79 -5.902 0.333 2.486 1.00 23.40 O +ATOM 322 CB LEU A 79 -3.476 2.058 2.731 1.00 16.41 C +ATOM 323 CG LEU A 79 -2.256 2.365 1.873 1.00 19.52 C +ATOM 324 CD1 LEU A 79 -1.261 3.209 2.630 1.00 22.26 C +ATOM 325 CD2 LEU A 79 -1.596 1.096 1.327 1.00 14.03 C +ATOM 326 N LYS A 80 -6.989 2.296 2.764 1.00 22.35 N +ATOM 327 CA LYS A 80 -8.253 1.680 3.192 1.00 24.02 C +ATOM 328 C LYS A 80 -8.871 0.821 2.084 1.00 24.83 C +ATOM 329 O LYS A 80 -9.527 -0.194 2.352 1.00 26.91 O +ATOM 330 CB LYS A 80 -9.268 2.726 3.706 1.00 23.26 C +ATOM 331 CG LYS A 80 -8.973 3.241 5.123 1.00 25.35 C +ATOM 332 CD LYS A 80 -9.038 2.098 6.149 1.00 26.61 C +ATOM 333 CE LYS A 80 -7.928 2.190 7.188 1.00 28.10 C +ATOM 334 NZ LYS A 80 -8.276 3.044 8.348 1.00 28.04 N +ATOM 335 N VAL A 81 -8.615 1.210 0.844 1.00 25.34 N +ATOM 336 CA VAL A 81 -9.233 0.599 -0.328 1.00 25.00 C +ATOM 337 C VAL A 81 -8.824 -0.870 -0.491 1.00 24.37 C +ATOM 338 O VAL A 81 -9.530 -1.666 -1.092 1.00 24.49 O +ATOM 339 CB VAL A 81 -8.901 1.452 -1.575 1.00 24.99 C +ATOM 340 CG1 VAL A 81 -7.444 1.319 -1.950 1.00 24.66 C +ATOM 341 CG2 VAL A 81 -9.811 1.116 -2.739 1.00 29.60 C +ATOM 342 N LEU A 82 -7.689 -1.216 0.096 1.00 26.14 N +ATOM 343 CA LEU A 82 -7.161 -2.569 0.086 1.00 26.91 C +ATOM 344 C LEU A 82 -8.031 -3.529 0.878 1.00 29.44 C +ATOM 345 O LEU A 82 -8.007 -4.749 0.647 1.00 30.41 O +ATOM 346 CB LEU A 82 -5.772 -2.555 0.700 1.00 25.20 C +ATOM 347 CG LEU A 82 -4.743 -1.762 -0.100 1.00 26.25 C +ATOM 348 CD1 LEU A 82 -3.453 -1.750 0.694 1.00 27.38 C +ATOM 349 CD2 LEU A 82 -4.523 -2.368 -1.503 1.00 20.97 C +ATOM 350 N GLU A 83 -8.779 -2.974 1.829 1.00 31.26 N +ATOM 351 CA GLU A 83 -9.640 -3.759 2.699 1.00 32.65 C +ATOM 352 C GLU A 83 -10.948 -3.944 1.962 1.00 32.05 C +ATOM 353 O GLU A 83 -11.507 -2.978 1.451 1.00 31.84 O +ATOM 354 CB GLU A 83 -9.827 -3.052 4.036 1.00 32.94 C +ATOM 355 CG GLU A 83 -8.486 -2.614 4.656 1.00 35.37 C +ATOM 356 CD GLU A 83 -8.613 -2.142 6.096 1.00 35.45 C +ATOM 357 OE1 GLU A 83 -9.384 -2.769 6.856 1.00 40.11 O +ATOM 358 OE2 GLU A 83 -7.937 -1.156 6.472 1.00 36.80 O +ATOM 359 N PRO A 84 -11.429 -5.194 1.881 1.00 32.56 N +ATOM 360 CA PRO A 84 -12.467 -5.522 0.906 1.00 32.52 C +ATOM 361 C PRO A 84 -13.622 -4.505 0.834 1.00 33.03 C +ATOM 362 O PRO A 84 -14.102 -4.188 -0.260 1.00 33.82 O +ATOM 363 CB PRO A 84 -12.939 -6.898 1.370 1.00 31.78 C +ATOM 364 CG PRO A 84 -11.709 -7.500 1.967 1.00 31.53 C +ATOM 365 CD PRO A 84 -11.048 -6.371 2.688 1.00 31.85 C +ATOM 366 N GLU A 85 -14.039 -3.974 1.977 1.00 32.38 N +ATOM 367 CA GLU A 85 -15.190 -3.091 2.006 1.00 31.83 C +ATOM 368 C GLU A 85 -14.783 -1.649 2.327 1.00 30.88 C +ATOM 369 O GLU A 85 -15.607 -0.738 2.229 1.00 31.29 O +ATOM 370 CB GLU A 85 -16.210 -3.626 3.015 1.00 32.88 C +ATOM 371 CG GLU A 85 -17.672 -3.259 2.738 1.00 35.90 C +ATOM 372 CD GLU A 85 -18.232 -2.197 3.699 1.00 38.87 C +ATOM 373 OE1 GLU A 85 -17.503 -1.236 4.049 1.00 40.26 O +ATOM 374 OE2 GLU A 85 -19.415 -2.323 4.100 1.00 37.74 O +ATOM 375 N GLY A 86 -13.507 -1.449 2.667 1.00 28.74 N +ATOM 376 CA GLY A 86 -13.015 -0.193 3.259 1.00 25.98 C +ATOM 377 C GLY A 86 -13.199 1.102 2.482 1.00 24.41 C +ATOM 378 O GLY A 86 -13.292 1.087 1.258 1.00 24.44 O +ATOM 379 N SER A 87 -13.259 2.225 3.203 1.00 22.60 N +ATOM 380 CA SER A 87 -13.360 3.552 2.578 1.00 22.07 C +ATOM 381 C SER A 87 -12.416 4.604 3.162 1.00 20.66 C +ATOM 382 O SER A 87 -12.414 4.862 4.387 1.00 20.35 O +ATOM 383 CB SER A 87 -14.795 4.102 2.589 1.00 21.88 C +ATOM 384 OG SER A 87 -15.253 4.234 3.909 1.00 26.63 O +ATOM 385 N PRO A 88 -11.639 5.247 2.267 1.00 18.24 N +ATOM 386 CA PRO A 88 -10.726 6.335 2.624 1.00 18.36 C +ATOM 387 C PRO A 88 -11.481 7.567 3.134 1.00 19.04 C +ATOM 388 O PRO A 88 -10.979 8.309 3.982 1.00 20.52 O +ATOM 389 CB PRO A 88 -10.007 6.640 1.300 1.00 17.89 C +ATOM 390 CG PRO A 88 -10.273 5.412 0.409 1.00 14.70 C +ATOM 391 CD PRO A 88 -11.619 4.946 0.822 1.00 14.17 C +ATOM 392 N SER A 89 -12.686 7.777 2.628 1.00 18.32 N +ATOM 393 CA SER A 89 -13.473 8.900 3.060 1.00 19.10 C +ATOM 394 C SER A 89 -13.832 8.721 4.535 1.00 20.24 C +ATOM 395 O SER A 89 -13.746 9.674 5.314 1.00 21.22 O +ATOM 396 CB SER A 89 -14.724 9.017 2.203 1.00 18.51 C +ATOM 397 OG SER A 89 -14.366 9.069 0.843 1.00 20.81 O +ATOM 398 N LEU A 90 -14.193 7.495 4.923 1.00 19.84 N +ATOM 399 CA LEU A 90 -14.482 7.181 6.325 1.00 18.43 C +ATOM 400 C LEU A 90 -13.275 7.500 7.159 1.00 18.88 C +ATOM 401 O LEU A 90 -13.367 8.250 8.144 1.00 19.82 O +ATOM 402 CB LEU A 90 -14.861 5.717 6.508 1.00 17.46 C +ATOM 403 CG LEU A 90 -15.378 5.352 7.900 1.00 19.11 C +ATOM 404 CD1 LEU A 90 -16.294 6.449 8.445 1.00 13.11 C +ATOM 405 CD2 LEU A 90 -16.087 3.986 7.856 1.00 14.70 C +ATOM 406 N CYS A 91 -12.132 6.960 6.745 1.00 20.77 N +ATOM 407 CA CYS A 91 -10.892 7.296 7.415 1.00 19.59 C +ATOM 408 C CYS A 91 -10.745 8.838 7.462 1.00 17.56 C +ATOM 409 O CYS A 91 -10.564 9.405 8.545 1.00 17.62 O +ATOM 410 CB CYS A 91 -9.708 6.592 6.760 1.00 19.50 C +ATOM 411 SG CYS A 91 -8.084 7.278 7.224 1.00 28.96 S +ATOM 412 N LEU A 92 -10.897 9.514 6.320 1.00 15.24 N +ATOM 413 CA LEU A 92 -10.696 10.980 6.249 1.00 14.13 C +ATOM 414 C LEU A 92 -11.615 11.822 7.171 1.00 13.98 C +ATOM 415 O LEU A 92 -11.194 12.809 7.780 1.00 12.61 O +ATOM 416 CB LEU A 92 -10.835 11.487 4.809 1.00 11.07 C +ATOM 417 CG LEU A 92 -10.744 13.020 4.751 1.00 8.01 C +ATOM 418 CD1 LEU A 92 -9.341 13.510 5.057 1.00 5.37 C +ATOM 419 CD2 LEU A 92 -11.219 13.580 3.448 1.00 9.61 C +ATOM 420 N LEU A 93 -12.878 11.448 7.216 1.00 13.95 N +ATOM 421 CA LEU A 93 -13.838 12.179 7.984 1.00 15.84 C +ATOM 422 C LEU A 93 -13.545 12.000 9.481 1.00 16.92 C +ATOM 423 O LEU A 93 -13.507 12.978 10.213 1.00 17.38 O +ATOM 424 CB LEU A 93 -15.249 11.717 7.619 1.00 15.38 C +ATOM 425 CG LEU A 93 -15.753 12.103 6.221 1.00 14.79 C +ATOM 426 CD1 LEU A 93 -17.148 11.487 5.976 1.00 13.77 C +ATOM 427 CD2 LEU A 93 -15.767 13.637 5.960 1.00 10.91 C +ATOM 428 N LYS A 94 -13.292 10.767 9.917 1.00 17.04 N +ATOM 429 CA LYS A 94 -12.905 10.530 11.323 1.00 18.64 C +ATOM 430 C LYS A 94 -11.659 11.332 11.681 1.00 18.83 C +ATOM 431 O LYS A 94 -11.645 12.022 12.694 1.00 22.86 O +ATOM 432 CB LYS A 94 -12.728 9.030 11.652 1.00 16.63 C +ATOM 433 CG LYS A 94 -14.035 8.279 11.722 1.00 15.83 C +ATOM 434 CD LYS A 94 -13.808 6.795 11.625 1.00 19.25 C +ATOM 435 CE LYS A 94 -15.111 6.008 11.773 1.00 21.31 C +ATOM 436 NZ LYS A 94 -14.888 4.535 11.934 1.00 21.45 N +ATOM 437 N LEU A 95 -10.634 11.255 10.842 1.00 18.25 N +ATOM 438 CA LEU A 95 -9.436 12.069 10.983 1.00 17.53 C +ATOM 439 C LEU A 95 -9.790 13.554 11.065 1.00 17.51 C +ATOM 440 O LEU A 95 -9.271 14.265 11.927 1.00 17.18 O +ATOM 441 CB LEU A 95 -8.515 11.820 9.795 1.00 17.58 C +ATOM 442 CG LEU A 95 -7.026 12.117 9.924 1.00 19.61 C +ATOM 443 CD1 LEU A 95 -6.496 11.769 11.315 1.00 21.57 C +ATOM 444 CD2 LEU A 95 -6.229 11.379 8.824 1.00 19.59 C +ATOM 445 N MET A 96 -10.682 14.026 10.192 1.00 17.76 N +ATOM 446 CA MET A 96 -11.076 15.442 10.237 1.00 19.44 C +ATOM 447 C MET A 96 -11.812 15.754 11.531 1.00 19.09 C +ATOM 448 O MET A 96 -11.591 16.816 12.126 1.00 16.96 O +ATOM 449 CB MET A 96 -11.893 15.886 9.009 1.00 19.87 C +ATOM 450 CG MET A 96 -11.024 16.297 7.776 1.00 20.35 C +ATOM 451 SD MET A 96 -11.890 16.209 6.182 1.00 17.77 S +ATOM 452 CE MET A 96 -13.244 17.388 6.388 1.00 15.93 C +ATOM 453 N GLY A 97 -12.662 14.813 11.956 1.00 19.19 N +ATOM 454 CA GLY A 97 -13.364 14.876 13.249 1.00 20.03 C +ATOM 455 C GLY A 97 -12.423 15.105 14.427 1.00 19.96 C +ATOM 456 O GLY A 97 -12.549 16.095 15.130 1.00 17.34 O +ATOM 457 N GLU A 98 -11.475 14.181 14.606 1.00 21.20 N +ATOM 458 CA GLU A 98 -10.412 14.262 15.603 1.00 23.69 C +ATOM 459 C GLU A 98 -9.705 15.629 15.609 1.00 24.25 C +ATOM 460 O GLU A 98 -9.431 16.185 16.685 1.00 25.99 O +ATOM 461 CB GLU A 98 -9.399 13.131 15.384 1.00 21.72 C +ATOM 462 CG GLU A 98 -10.011 11.721 15.341 1.00 25.60 C +ATOM 463 CD GLU A 98 -9.016 10.605 14.899 1.00 29.18 C +ATOM 464 OE1 GLU A 98 -7.807 10.891 14.674 1.00 34.78 O +ATOM 465 OE2 GLU A 98 -9.446 9.425 14.781 1.00 29.58 O +ATOM 466 N LYS A 99 -9.427 16.172 14.418 1.00 25.26 N +ATOM 467 CA LYS A 99 -8.751 17.480 14.262 1.00 23.98 C +ATOM 468 C LYS A 99 -9.641 18.653 14.661 1.00 23.43 C +ATOM 469 O LYS A 99 -9.161 19.787 14.789 1.00 25.34 O +ATOM 470 CB LYS A 99 -8.254 17.700 12.821 1.00 24.19 C +ATOM 471 CG LYS A 99 -7.563 16.507 12.170 1.00 24.95 C +ATOM 472 CD LYS A 99 -6.124 16.336 12.623 1.00 27.02 C +ATOM 473 CE LYS A 99 -5.415 15.309 11.750 1.00 27.02 C +ATOM 474 NZ LYS A 99 -3.951 15.209 12.024 1.00 27.58 N +ATOM 475 N GLY A 100 -10.934 18.390 14.823 1.00 22.48 N +ATOM 476 CA GLY A 100 -11.872 19.401 15.296 1.00 24.06 C +ATOM 477 C GLY A 100 -12.917 19.910 14.320 1.00 25.05 C +ATOM 478 O GLY A 100 -13.394 21.031 14.454 1.00 26.19 O +ATOM 479 N CYS A 101 -13.300 19.085 13.356 1.00 26.05 N +ATOM 480 CA CYS A 101 -14.235 19.517 12.318 1.00 25.20 C +ATOM 481 C CYS A 101 -15.671 19.161 12.709 1.00 23.34 C +ATOM 482 O CYS A 101 -15.948 18.046 13.171 1.00 23.20 O +ATOM 483 CB CYS A 101 -13.829 18.911 10.951 1.00 25.25 C +ATOM 484 SG CYS A 101 -14.600 19.570 9.389 1.00 28.97 S +ATOM 485 N THR A 102 -16.570 20.123 12.522 1.00 22.11 N +ATOM 486 CA THR A 102 -17.988 19.929 12.753 1.00 21.61 C +ATOM 487 C THR A 102 -18.627 19.619 11.440 1.00 21.05 C +ATOM 488 O THR A 102 -17.993 19.732 10.398 1.00 22.72 O +ATOM 489 CB THR A 102 -18.640 21.210 13.214 1.00 22.39 C +ATOM 490 OG1 THR A 102 -17.640 22.114 13.708 1.00 21.18 O +ATOM 491 CG2 THR A 102 -19.729 20.902 14.286 1.00 26.24 C +ATOM 492 N VAL A 103 -19.894 19.245 11.479 1.00 20.79 N +ATOM 493 CA VAL A 103 -20.679 19.113 10.261 1.00 20.89 C +ATOM 494 C VAL A 103 -20.921 20.463 9.552 1.00 21.45 C +ATOM 495 O VAL A 103 -21.233 20.501 8.362 1.00 24.46 O +ATOM 496 CB VAL A 103 -22.004 18.382 10.532 1.00 20.29 C +ATOM 497 CG1 VAL A 103 -22.887 18.362 9.290 1.00 18.41 C +ATOM 498 CG2 VAL A 103 -21.717 16.974 11.002 1.00 20.65 C +ATOM 499 N THR A 104 -20.762 21.571 10.258 1.00 20.61 N +ATOM 500 CA THR A 104 -20.904 22.851 9.583 1.00 20.90 C +ATOM 501 C THR A 104 -19.612 23.304 8.948 1.00 21.04 C +ATOM 502 O THR A 104 -19.654 24.061 7.996 1.00 23.64 O +ATOM 503 CB THR A 104 -21.479 24.001 10.459 1.00 20.26 C +ATOM 504 OG1 THR A 104 -21.129 23.807 11.840 1.00 22.19 O +ATOM 505 CG2 THR A 104 -22.981 24.077 10.293 1.00 18.96 C +ATOM 506 N GLU A 105 -18.468 22.883 9.473 1.00 20.74 N +ATOM 507 CA GLU A 105 -17.219 23.245 8.834 1.00 21.44 C +ATOM 508 C GLU A 105 -17.067 22.426 7.569 1.00 22.65 C +ATOM 509 O GLU A 105 -16.556 22.936 6.569 1.00 23.83 O +ATOM 510 CB GLU A 105 -16.039 23.083 9.776 1.00 20.85 C +ATOM 511 CG GLU A 105 -16.015 24.166 10.857 1.00 25.82 C +ATOM 512 CD GLU A 105 -15.028 23.885 11.989 1.00 31.10 C +ATOM 513 OE1 GLU A 105 -13.917 23.379 11.706 1.00 33.99 O +ATOM 514 OE2 GLU A 105 -15.355 24.178 13.165 1.00 30.67 O +ATOM 515 N LEU A 106 -17.563 21.183 7.614 1.00 23.23 N +ATOM 516 CA LEU A 106 -17.556 20.244 6.483 1.00 22.65 C +ATOM 517 C LEU A 106 -18.318 20.825 5.298 1.00 24.50 C +ATOM 518 O LEU A 106 -17.844 20.757 4.148 1.00 24.43 O +ATOM 519 CB LEU A 106 -18.161 18.883 6.893 1.00 23.08 C +ATOM 520 CG LEU A 106 -18.268 17.739 5.858 1.00 22.74 C +ATOM 521 CD1 LEU A 106 -16.958 17.437 5.166 1.00 18.53 C +ATOM 522 CD2 LEU A 106 -18.834 16.469 6.477 1.00 19.92 C +ATOM 523 N SER A 107 -19.486 21.412 5.578 1.00 24.42 N +ATOM 524 CA SER A 107 -20.278 22.036 4.527 1.00 24.74 C +ATOM 525 C SER A 107 -19.566 23.243 3.943 1.00 25.71 C +ATOM 526 O SER A 107 -19.522 23.393 2.724 1.00 26.94 O +ATOM 527 CB SER A 107 -21.663 22.392 5.027 1.00 24.97 C +ATOM 528 OG SER A 107 -22.381 21.197 5.256 1.00 26.51 O +ATOM 529 N ASP A 108 -18.987 24.081 4.803 1.00 25.50 N +ATOM 530 CA ASP A 108 -18.060 25.134 4.367 1.00 26.51 C +ATOM 531 C ASP A 108 -17.029 24.661 3.342 1.00 26.43 C +ATOM 532 O ASP A 108 -16.725 25.389 2.390 1.00 27.11 O +ATOM 533 CB ASP A 108 -17.302 25.718 5.556 1.00 26.78 C +ATOM 534 CG ASP A 108 -18.110 26.718 6.316 1.00 28.37 C +ATOM 535 OD1 ASP A 108 -19.355 26.686 6.194 1.00 30.25 O +ATOM 536 OD2 ASP A 108 -17.501 27.533 7.044 1.00 30.56 O +ATOM 537 N PHE A 109 -16.482 23.466 3.569 1.00 25.14 N +ATOM 538 CA PHE A 109 -15.464 22.873 2.706 1.00 24.31 C +ATOM 539 C PHE A 109 -16.031 22.351 1.395 1.00 23.68 C +ATOM 540 O PHE A 109 -15.500 22.635 0.355 1.00 22.65 O +ATOM 541 CB PHE A 109 -14.733 21.755 3.444 1.00 23.52 C +ATOM 542 CG PHE A 109 -13.842 22.246 4.545 1.00 24.19 C +ATOM 543 CD1 PHE A 109 -12.906 23.257 4.302 1.00 26.21 C +ATOM 544 CD2 PHE A 109 -13.912 21.692 5.818 1.00 22.80 C +ATOM 545 CE1 PHE A 109 -12.056 23.721 5.316 1.00 24.88 C +ATOM 546 CE2 PHE A 109 -13.072 22.144 6.835 1.00 21.94 C +ATOM 547 CZ PHE A 109 -12.141 23.163 6.585 1.00 23.09 C +ATOM 548 N LEU A 110 -17.125 21.601 1.459 1.00 24.86 N +ATOM 549 CA LEU A 110 -17.784 21.065 0.269 1.00 23.07 C +ATOM 550 C LEU A 110 -18.352 22.136 -0.655 1.00 23.88 C +ATOM 551 O LEU A 110 -18.412 21.941 -1.878 1.00 24.59 O +ATOM 552 CB LEU A 110 -18.884 20.094 0.691 1.00 22.14 C +ATOM 553 CG LEU A 110 -18.360 18.858 1.440 1.00 18.98 C +ATOM 554 CD1 LEU A 110 -19.522 18.082 1.960 1.00 16.56 C +ATOM 555 CD2 LEU A 110 -17.460 17.967 0.566 1.00 15.60 C +ATOM 556 N GLN A 111 -18.770 23.254 -0.059 1.00 24.87 N +ATOM 557 CA GLN A 111 -19.260 24.448 -0.776 1.00 25.13 C +ATOM 558 C GLN A 111 -18.119 25.100 -1.539 1.00 24.91 C +ATOM 559 O GLN A 111 -18.230 25.371 -2.739 1.00 26.16 O +ATOM 560 CB GLN A 111 -19.799 25.471 0.220 1.00 24.83 C +ATOM 561 CG GLN A 111 -20.827 26.417 -0.334 1.00 28.55 C +ATOM 562 CD GLN A 111 -22.248 25.933 -0.091 1.00 33.73 C +ATOM 563 OE1 GLN A 111 -22.632 25.576 1.041 1.00 35.42 O +ATOM 564 NE2 GLN A 111 -23.048 25.930 -1.153 1.00 34.82 N +ATOM 565 N ALA A 112 -17.038 25.368 -0.810 1.00 23.09 N +ATOM 566 CA ALA A 112 -15.799 25.846 -1.375 1.00 22.21 C +ATOM 567 C ALA A 112 -15.311 24.901 -2.473 1.00 22.35 C +ATOM 568 O ALA A 112 -14.810 25.361 -3.480 1.00 22.04 O +ATOM 569 CB ALA A 112 -14.740 26.003 -0.283 1.00 21.32 C +ATOM 570 N MET A 113 -15.471 23.589 -2.289 1.00 22.82 N +ATOM 571 CA MET A 113 -14.999 22.601 -3.268 1.00 23.53 C +ATOM 572 C MET A 113 -15.752 22.815 -4.583 1.00 26.51 C +ATOM 573 O MET A 113 -15.142 23.014 -5.649 1.00 26.78 O +ATOM 574 CB MET A 113 -15.227 21.186 -2.759 1.00 22.31 C +ATOM 575 CG MET A 113 -14.410 20.100 -3.460 1.00 24.09 C +ATOM 576 SD MET A 113 -14.359 18.517 -2.545 1.00 22.23 S +ATOM 577 CE MET A 113 -14.427 19.147 -0.869 1.00 24.64 C +ATOM 578 N GLU A 114 -17.082 22.815 -4.476 1.00 27.58 N +ATOM 579 CA GLU A 114 -17.978 23.184 -5.569 1.00 27.29 C +ATOM 580 C GLU A 114 -17.615 24.535 -6.211 1.00 25.88 C +ATOM 581 O GLU A 114 -17.486 24.625 -7.422 1.00 26.93 O +ATOM 582 CB GLU A 114 -19.421 23.193 -5.071 1.00 26.33 C +ATOM 583 CG GLU A 114 -20.023 21.812 -4.875 1.00 29.11 C +ATOM 584 CD GLU A 114 -21.552 21.837 -4.767 1.00 32.96 C +ATOM 585 OE1 GLU A 114 -22.195 22.742 -5.359 1.00 34.78 O +ATOM 586 OE2 GLU A 114 -22.118 20.937 -4.100 1.00 36.88 O +ATOM 587 N HIS A 115 -17.408 25.561 -5.397 1.00 25.25 N +ATOM 588 CA HIS A 115 -17.147 26.904 -5.907 1.00 26.59 C +ATOM 589 C HIS A 115 -15.756 27.120 -6.508 1.00 26.21 C +ATOM 590 O HIS A 115 -15.581 27.990 -7.347 1.00 28.34 O +ATOM 591 CB HIS A 115 -17.445 27.958 -4.838 1.00 26.31 C +ATOM 592 CG HIS A 115 -18.906 28.121 -4.548 1.00 29.19 C +ATOM 593 ND1 HIS A 115 -19.399 29.131 -3.747 1.00 30.49 N +ATOM 594 CD2 HIS A 115 -19.982 27.411 -4.962 1.00 30.23 C +ATOM 595 CE1 HIS A 115 -20.714 29.026 -3.669 1.00 29.65 C +ATOM 596 NE2 HIS A 115 -21.093 27.994 -4.402 1.00 31.01 N +ATOM 597 N THR A 116 -14.767 26.339 -6.103 1.00 25.78 N +ATOM 598 CA THR A 116 -13.452 26.444 -6.741 1.00 25.05 C +ATOM 599 C THR A 116 -13.307 25.544 -7.973 1.00 24.74 C +ATOM 600 O THR A 116 -12.394 25.765 -8.782 1.00 25.18 O +ATOM 601 CB THR A 116 -12.310 26.102 -5.796 1.00 24.66 C +ATOM 602 OG1 THR A 116 -12.570 24.812 -5.216 1.00 30.40 O +ATOM 603 CG2 THR A 116 -12.093 27.212 -4.708 1.00 23.22 C +ATOM 604 N GLU A 117 -14.172 24.531 -8.104 1.00 23.98 N +ATOM 605 CA GLU A 117 -14.158 23.660 -9.289 1.00 24.80 C +ATOM 606 C GLU A 117 -14.535 24.452 -10.547 1.00 24.41 C +ATOM 607 O GLU A 117 -13.863 24.331 -11.572 1.00 25.12 O +ATOM 608 CB GLU A 117 -15.065 22.434 -9.134 1.00 23.76 C +ATOM 609 CG GLU A 117 -15.062 21.518 -10.370 1.00 25.57 C +ATOM 610 CD GLU A 117 -15.985 20.281 -10.266 1.00 28.71 C +ATOM 611 OE1 GLU A 117 -16.878 20.268 -9.379 1.00 30.71 O +ATOM 612 OE2 GLU A 117 -15.820 19.325 -11.092 1.00 31.85 O +ATOM 613 N VAL A 118 -15.603 25.245 -10.457 1.00 22.17 N +ATOM 614 CA VAL A 118 -15.970 26.167 -11.519 1.00 21.38 C +ATOM 615 C VAL A 118 -14.938 27.247 -11.706 1.00 22.07 C +ATOM 616 O VAL A 118 -14.452 27.411 -12.803 1.00 24.70 O +ATOM 617 CB VAL A 118 -17.337 26.827 -11.324 1.00 20.04 C +ATOM 618 CG1 VAL A 118 -18.400 25.958 -11.913 1.00 18.40 C +ATOM 619 CG2 VAL A 118 -17.602 27.137 -9.835 1.00 20.78 C +ATOM 620 N LEU A 119 -14.595 27.989 -10.659 1.00 23.20 N +ATOM 621 CA LEU A 119 -13.562 29.010 -10.798 1.00 24.40 C +ATOM 622 C LEU A 119 -12.358 28.455 -11.557 1.00 25.84 C +ATOM 623 O LEU A 119 -11.795 29.140 -12.419 1.00 27.66 O +ATOM 624 CB LEU A 119 -13.133 29.605 -9.449 1.00 23.93 C +ATOM 625 CG LEU A 119 -13.777 30.907 -8.948 1.00 23.59 C +ATOM 626 CD1 LEU A 119 -14.302 31.810 -10.082 1.00 20.03 C +ATOM 627 CD2 LEU A 119 -14.888 30.629 -7.963 1.00 24.31 C +ATOM 628 N GLN A 120 -11.990 27.209 -11.262 1.00 26.66 N +ATOM 629 CA GLN A 120 -10.898 26.528 -11.968 1.00 27.47 C +ATOM 630 C GLN A 120 -11.242 26.322 -13.448 1.00 26.70 C +ATOM 631 O GLN A 120 -10.493 26.742 -14.328 1.00 27.16 O +ATOM 632 CB GLN A 120 -10.549 25.207 -11.266 1.00 27.57 C +ATOM 633 CG GLN A 120 -9.747 24.187 -12.078 1.00 30.99 C +ATOM 634 CD GLN A 120 -10.526 22.894 -12.363 1.00 35.18 C +ATOM 635 OE1 GLN A 120 -10.944 22.171 -11.441 1.00 36.55 O +ATOM 636 NE2 GLN A 120 -10.707 22.592 -13.644 1.00 35.02 N +ATOM 637 N LEU A 121 -12.395 25.709 -13.699 1.00 26.64 N +ATOM 638 CA LEU A 121 -12.844 25.340 -15.038 1.00 27.31 C +ATOM 639 C LEU A 121 -12.942 26.505 -16.022 1.00 28.74 C +ATOM 640 O LEU A 121 -12.720 26.327 -17.211 1.00 29.37 O +ATOM 641 CB LEU A 121 -14.181 24.607 -14.949 1.00 27.25 C +ATOM 642 CG LEU A 121 -14.008 23.118 -14.669 1.00 27.15 C +ATOM 643 CD1 LEU A 121 -15.263 22.534 -14.063 1.00 27.32 C +ATOM 644 CD2 LEU A 121 -13.625 22.394 -15.955 1.00 27.06 C +ATOM 645 N LEU A 122 -13.266 27.691 -15.513 1.00 29.20 N +ATOM 646 CA LEU A 122 -13.290 28.918 -16.297 1.00 29.53 C +ATOM 647 C LEU A 122 -12.009 29.749 -16.175 1.00 30.29 C +ATOM 648 O LEU A 122 -12.030 30.952 -16.438 1.00 30.85 O +ATOM 649 CB LEU A 122 -14.454 29.796 -15.852 1.00 29.92 C +ATOM 650 CG LEU A 122 -15.840 29.180 -15.857 1.00 32.69 C +ATOM 651 CD1 LEU A 122 -16.792 30.079 -15.073 1.00 30.08 C +ATOM 652 CD2 LEU A 122 -16.284 28.981 -17.297 1.00 35.17 C +ATOM 653 N SER A 123 -10.901 29.145 -15.766 1.00 30.57 N +ATOM 654 CA SER A 123 -9.671 29.924 -15.670 1.00 31.48 C +ATOM 655 C SER A 123 -8.704 29.675 -16.826 1.00 31.13 C +ATOM 656 O SER A 123 -8.528 28.534 -17.258 1.00 29.97 O +ATOM 657 CB SER A 123 -8.997 29.764 -14.304 1.00 32.16 C +ATOM 658 OG SER A 123 -9.378 30.839 -13.461 1.00 32.71 O +ATOM 659 N PRO A 124 -8.110 30.762 -17.352 1.00 31.52 N +ATOM 660 CA PRO A 124 -7.157 30.689 -18.452 1.00 30.94 C +ATOM 661 C PRO A 124 -5.766 30.334 -17.943 1.00 30.25 C +ATOM 662 O PRO A 124 -5.478 29.158 -17.730 1.00 29.11 O +ATOM 663 CB PRO A 124 -7.180 32.114 -19.033 1.00 30.87 C +ATOM 664 CG PRO A 124 -8.260 32.874 -18.252 1.00 31.05 C +ATOM 665 CD PRO A 124 -8.348 32.159 -16.949 1.00 31.79 C Added: SwiftApps/modFTdock/input/indata/2g7r-2.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2g7r-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2g7r-2.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,665 @@ +ATOM 1 N THR B 29 -28.520 26.899 -6.787 1.00 20.35 N +ATOM 2 CA THR B 29 -29.018 27.405 -8.094 1.00 22.52 C +ATOM 3 C THR B 29 -28.317 28.699 -8.515 1.00 24.96 C +ATOM 4 O THR B 29 -28.187 29.645 -7.712 1.00 24.46 O +ATOM 5 CB THR B 29 -30.569 27.534 -8.168 1.00 22.55 C +ATOM 6 OG1 THR B 29 -31.130 26.326 -8.696 1.00 21.31 O +ATOM 7 CG2 THR B 29 -31.002 28.649 -9.102 1.00 22.29 C +ATOM 8 N LEU B 30 -27.884 28.705 -9.787 1.00 24.14 N +ATOM 9 CA LEU B 30 -27.081 29.768 -10.405 1.00 24.57 C +ATOM 10 C LEU B 30 -27.522 31.225 -10.170 1.00 24.80 C +ATOM 11 O LEU B 30 -26.696 32.065 -9.858 1.00 26.49 O +ATOM 12 CB LEU B 30 -26.924 29.490 -11.914 1.00 24.79 C +ATOM 13 CG LEU B 30 -25.649 28.828 -12.459 1.00 22.40 C +ATOM 14 CD1 LEU B 30 -24.964 27.876 -11.475 1.00 23.61 C +ATOM 15 CD2 LEU B 30 -25.985 28.120 -13.724 1.00 20.25 C +ATOM 16 N ASN B 31 -28.803 31.532 -10.325 1.00 24.09 N +ATOM 17 CA ASN B 31 -29.276 32.908 -10.133 1.00 24.22 C +ATOM 18 C ASN B 31 -29.402 33.298 -8.639 1.00 24.81 C +ATOM 19 O ASN B 31 -29.768 34.446 -8.313 1.00 23.49 O +ATOM 20 CB ASN B 31 -30.618 33.102 -10.848 1.00 23.06 C +ATOM 21 CG ASN B 31 -31.658 32.071 -10.418 1.00 21.99 C +ATOM 22 OD1 ASN B 31 -31.327 30.911 -10.174 1.00 20.20 O +ATOM 23 ND2 ASN B 31 -32.916 32.491 -10.321 1.00 21.34 N +ATOM 24 N ARG B 32 -29.103 32.333 -7.755 1.00 24.19 N +ATOM 25 CA ARG B 32 -29.193 32.505 -6.297 1.00 22.72 C +ATOM 26 C ARG B 32 -27.846 32.524 -5.579 1.00 23.03 C +ATOM 27 O ARG B 32 -27.837 32.515 -4.353 1.00 25.41 O +ATOM 28 CB ARG B 32 -30.054 31.406 -5.640 1.00 21.93 C +ATOM 29 CG ARG B 32 -31.544 31.415 -5.977 1.00 22.93 C +ATOM 30 CD ARG B 32 -32.273 32.658 -5.467 1.00 22.51 C +ATOM 31 NE ARG B 32 -33.666 32.670 -5.926 1.00 26.94 N +ATOM 32 CZ ARG B 32 -34.370 33.769 -6.208 1.00 26.70 C +ATOM 33 NH1 ARG B 32 -33.813 34.978 -6.095 1.00 24.87 N +ATOM 34 NH2 ARG B 32 -35.634 33.659 -6.621 1.00 22.87 N +ATOM 35 N LEU B 33 -26.721 32.518 -6.295 1.00 21.87 N +ATOM 36 CA LEU B 33 -25.428 32.748 -5.639 1.00 22.53 C +ATOM 37 C LEU B 33 -25.230 34.253 -5.425 1.00 23.20 C +ATOM 38 O LEU B 33 -25.874 35.047 -6.086 1.00 25.41 O +ATOM 39 CB LEU B 33 -24.283 32.210 -6.487 1.00 23.06 C +ATOM 40 CG LEU B 33 -24.436 30.893 -7.231 1.00 24.44 C +ATOM 41 CD1 LEU B 33 -23.424 30.829 -8.386 1.00 22.27 C +ATOM 42 CD2 LEU B 33 -24.297 29.719 -6.272 1.00 21.65 C +ATOM 43 N ARG B 34 -24.333 34.663 -4.535 1.00 25.17 N +ATOM 44 CA ARG B 34 -24.168 36.094 -4.274 1.00 26.09 C +ATOM 45 C ARG B 34 -23.484 36.771 -5.455 1.00 26.81 C +ATOM 46 O ARG B 34 -22.711 36.134 -6.169 1.00 25.09 O +ATOM 47 CB ARG B 34 -23.375 36.338 -3.001 1.00 26.11 C +ATOM 48 CG ARG B 34 -23.619 35.327 -1.889 1.00 29.96 C +ATOM 49 CD ARG B 34 -22.275 34.880 -1.302 1.00 36.56 C +ATOM 50 NE ARG B 34 -21.242 34.800 -2.354 1.00 40.78 N +ATOM 51 CZ ARG B 34 -20.095 35.492 -2.371 1.00 40.30 C +ATOM 52 NH1 ARG B 34 -19.785 36.322 -1.371 1.00 38.59 N +ATOM 53 NH2 ARG B 34 -19.248 35.350 -3.392 1.00 38.07 N +ATOM 54 N GLU B 35 -23.771 38.068 -5.633 1.00 29.15 N +ATOM 55 CA GLU B 35 -23.316 38.872 -6.796 1.00 29.38 C +ATOM 56 C GLU B 35 -21.842 38.777 -7.129 1.00 29.29 C +ATOM 57 O GLU B 35 -21.491 38.656 -8.300 1.00 29.66 O +ATOM 58 CB GLU B 35 -23.755 40.335 -6.685 1.00 28.87 C +ATOM 59 CG GLU B 35 -25.062 40.551 -7.388 1.00 33.80 C +ATOM 60 CD GLU B 35 -25.752 39.220 -7.711 1.00 38.79 C +ATOM 61 OE1 GLU B 35 -26.289 38.584 -6.770 1.00 38.31 O +ATOM 62 OE2 GLU B 35 -25.732 38.801 -8.901 1.00 41.77 O +ATOM 63 N PRO B 36 -20.974 38.871 -6.108 1.00 29.23 N +ATOM 64 CA PRO B 36 -19.557 38.648 -6.359 1.00 28.85 C +ATOM 65 C PRO B 36 -19.287 37.329 -7.097 1.00 29.13 C +ATOM 66 O PRO B 36 -18.426 37.291 -7.967 1.00 30.26 O +ATOM 67 CB PRO B 36 -18.971 38.615 -4.943 1.00 28.75 C +ATOM 68 CG PRO B 36 -19.857 39.527 -4.174 1.00 27.05 C +ATOM 69 CD PRO B 36 -21.226 39.229 -4.697 1.00 27.53 C +ATOM 70 N LEU B 37 -20.020 36.265 -6.771 1.00 28.52 N +ATOM 71 CA LEU B 37 -19.741 34.962 -7.371 1.00 27.72 C +ATOM 72 C LEU B 37 -20.226 34.946 -8.814 1.00 27.17 C +ATOM 73 O LEU B 37 -19.454 34.676 -9.728 1.00 29.29 O +ATOM 74 CB LEU B 37 -20.357 33.811 -6.560 1.00 26.14 C +ATOM 75 CG LEU B 37 -19.773 32.455 -6.964 1.00 26.46 C +ATOM 76 CD1 LEU B 37 -18.268 32.420 -6.717 1.00 25.46 C +ATOM 77 CD2 LEU B 37 -20.471 31.312 -6.250 1.00 24.15 C +ATOM 78 N LEU B 38 -21.500 35.262 -9.003 1.00 26.01 N +ATOM 79 CA LEU B 38 -22.095 35.318 -10.312 1.00 25.71 C +ATOM 80 C LEU B 38 -21.347 36.302 -11.225 1.00 27.67 C +ATOM 81 O LEU B 38 -20.910 35.929 -12.317 1.00 29.39 O +ATOM 82 CB LEU B 38 -23.573 35.676 -10.186 1.00 25.79 C +ATOM 83 CG LEU B 38 -24.463 34.952 -11.194 1.00 24.46 C +ATOM 84 CD1 LEU B 38 -24.285 35.553 -12.553 1.00 26.63 C +ATOM 85 CD2 LEU B 38 -24.107 33.488 -11.245 1.00 22.38 C +ATOM 86 N ARG B 39 -21.185 37.545 -10.766 1.00 27.48 N +ATOM 87 CA ARG B 39 -20.375 38.555 -11.448 1.00 25.75 C +ATOM 88 C ARG B 39 -19.004 37.995 -11.811 1.00 24.80 C +ATOM 89 O ARG B 39 -18.542 38.159 -12.932 1.00 25.39 O +ATOM 90 CB ARG B 39 -20.242 39.803 -10.561 1.00 25.89 C +ATOM 91 CG ARG B 39 -19.364 40.927 -11.100 1.00 28.36 C +ATOM 92 CD ARG B 39 -20.115 41.761 -12.136 1.00 32.63 C +ATOM 93 NE ARG B 39 -19.216 42.496 -13.035 1.00 32.92 N +ATOM 94 CZ ARG B 39 -18.777 42.047 -14.212 1.00 33.02 C +ATOM 95 NH1 ARG B 39 -19.139 40.850 -14.665 1.00 33.42 N +ATOM 96 NH2 ARG B 39 -17.962 42.799 -14.941 1.00 32.67 N +ATOM 97 N ARG B 40 -18.364 37.317 -10.870 1.00 23.82 N +ATOM 98 CA ARG B 40 -17.021 36.802 -11.100 1.00 24.52 C +ATOM 99 C ARG B 40 -17.043 35.729 -12.176 1.00 24.63 C +ATOM 100 O ARG B 40 -16.228 35.750 -13.102 1.00 25.45 O +ATOM 101 CB ARG B 40 -16.441 36.239 -9.808 1.00 24.22 C +ATOM 102 CG ARG B 40 -15.054 35.660 -9.924 1.00 26.76 C +ATOM 103 CD ARG B 40 -13.994 36.740 -9.917 1.00 31.10 C +ATOM 104 NE ARG B 40 -13.273 36.842 -11.191 1.00 34.20 N +ATOM 105 CZ ARG B 40 -12.053 36.342 -11.410 1.00 33.84 C +ATOM 106 NH1 ARG B 40 -11.409 35.686 -10.447 1.00 32.32 N +ATOM 107 NH2 ARG B 40 -11.473 36.492 -12.598 1.00 32.59 N +ATOM 108 N LEU B 41 -17.980 34.794 -12.038 1.00 23.35 N +ATOM 109 CA LEU B 41 -18.167 33.722 -13.003 1.00 23.37 C +ATOM 110 C LEU B 41 -18.494 34.222 -14.429 1.00 24.46 C +ATOM 111 O LEU B 41 -18.066 33.624 -15.417 1.00 22.91 O +ATOM 112 CB LEU B 41 -19.289 32.808 -12.512 1.00 22.72 C +ATOM 113 CG LEU B 41 -18.939 31.415 -11.975 1.00 23.14 C +ATOM 114 CD1 LEU B 41 -17.591 31.365 -11.222 1.00 16.53 C +ATOM 115 CD2 LEU B 41 -20.093 30.911 -11.108 1.00 22.92 C +ATOM 116 N SER B 42 -19.260 35.313 -14.529 1.00 23.82 N +ATOM 117 CA SER B 42 -19.731 35.775 -15.815 1.00 22.87 C +ATOM 118 C SER B 42 -18.609 36.387 -16.656 1.00 23.27 C +ATOM 119 O SER B 42 -18.476 36.066 -17.839 1.00 22.99 O +ATOM 120 CB SER B 42 -20.963 36.692 -15.681 1.00 22.95 C +ATOM 121 OG SER B 42 -20.780 37.755 -14.763 1.00 25.72 O +ATOM 122 N GLU B 43 -17.789 37.239 -16.043 1.00 23.24 N +ATOM 123 CA GLU B 43 -16.712 37.908 -16.768 1.00 22.43 C +ATOM 124 C GLU B 43 -15.606 36.956 -17.176 1.00 22.75 C +ATOM 125 O GLU B 43 -14.939 37.186 -18.181 1.00 23.82 O +ATOM 126 CB GLU B 43 -16.143 39.058 -15.959 1.00 21.77 C +ATOM 127 CG GLU B 43 -15.400 38.638 -14.734 1.00 25.40 C +ATOM 128 CD GLU B 43 -15.296 39.761 -13.725 1.00 32.45 C +ATOM 129 OE1 GLU B 43 -16.095 40.725 -13.820 1.00 32.75 O +ATOM 130 OE2 GLU B 43 -14.414 39.683 -12.833 1.00 33.84 O +ATOM 131 N LEU B 44 -15.403 35.899 -16.394 1.00 22.78 N +ATOM 132 CA LEU B 44 -14.461 34.858 -16.765 1.00 23.96 C +ATOM 133 C LEU B 44 -14.956 34.145 -18.014 1.00 24.91 C +ATOM 134 O LEU B 44 -14.168 33.854 -18.913 1.00 25.67 O +ATOM 135 CB LEU B 44 -14.262 33.854 -15.637 1.00 23.27 C +ATOM 136 CG LEU B 44 -13.243 34.180 -14.552 1.00 25.16 C +ATOM 137 CD1 LEU B 44 -13.394 33.147 -13.434 1.00 25.13 C +ATOM 138 CD2 LEU B 44 -11.799 34.236 -15.082 1.00 21.86 C +ATOM 139 N LEU B 45 -16.259 33.874 -18.061 1.00 25.16 N +ATOM 140 CA LEU B 45 -16.909 33.322 -19.254 1.00 26.36 C +ATOM 141 C LEU B 45 -16.905 34.307 -20.444 1.00 26.73 C +ATOM 142 O LEU B 45 -16.805 33.886 -21.601 1.00 27.54 O +ATOM 143 CB LEU B 45 -18.346 32.921 -18.929 1.00 25.77 C +ATOM 144 CG LEU B 45 -18.863 31.540 -19.304 1.00 26.47 C +ATOM 145 CD1 LEU B 45 -20.362 31.610 -19.515 1.00 24.59 C +ATOM 146 CD2 LEU B 45 -18.164 30.915 -20.521 1.00 27.39 C +ATOM 147 N ASP B 46 -17.025 35.606 -20.154 1.00 27.26 N +ATOM 148 CA ASP B 46 -16.869 36.674 -21.147 1.00 28.27 C +ATOM 149 C ASP B 46 -15.481 36.709 -21.781 1.00 30.46 C +ATOM 150 O ASP B 46 -15.097 37.707 -22.393 1.00 31.40 O +ATOM 151 N GLN B 47 -14.718 35.621 -21.628 1.00 31.46 N +ATOM 152 CA GLN B 47 -13.451 35.424 -22.363 1.00 32.06 C +ATOM 153 C GLN B 47 -13.133 33.930 -22.589 1.00 31.68 C +ATOM 154 O GLN B 47 -12.871 33.222 -21.630 1.00 32.54 O +ATOM 155 CB GLN B 47 -12.300 36.173 -21.678 1.00 30.85 C +ATOM 156 CG GLN B 47 -12.321 36.120 -20.148 1.00 33.67 C +ATOM 157 CD GLN B 47 -12.337 37.498 -19.503 1.00 33.89 C +ATOM 158 OE1 GLN B 47 -13.038 38.400 -19.972 1.00 36.07 O +ATOM 159 NE2 GLN B 47 -11.590 37.660 -18.407 1.00 30.47 N +ATOM 160 N ALA B 48 -13.168 33.465 -23.851 1.00 32.74 N +ATOM 161 CA ALA B 48 -13.119 32.017 -24.197 1.00 32.75 C +ATOM 162 C ALA B 48 -13.472 31.647 -25.657 1.00 31.93 C +ATOM 163 O ALA B 48 -12.849 32.145 -26.613 1.00 32.03 O +ATOM 164 CB ALA B 48 -14.035 31.212 -23.237 1.00 33.30 C +ATOM 165 N GLY B 53 -16.686 29.185 -24.283 1.00 7.70 N +ATOM 166 CA GLY B 53 -17.449 30.437 -24.342 1.00 11.75 C +ATOM 167 C GLY B 53 -18.919 30.294 -23.979 1.00 12.74 C +ATOM 168 O GLY B 53 -19.423 29.197 -23.785 1.00 14.39 O +ATOM 169 N TRP B 54 -19.641 31.397 -23.906 1.00 14.82 N +ATOM 170 CA TRP B 54 -21.028 31.272 -23.467 1.00 17.07 C +ATOM 171 C TRP B 54 -21.958 30.713 -24.541 1.00 17.68 C +ATOM 172 O TRP B 54 -23.025 30.185 -24.192 1.00 21.16 O +ATOM 173 CB TRP B 54 -21.578 32.578 -22.886 1.00 15.50 C +ATOM 174 CG TRP B 54 -21.705 33.624 -23.887 1.00 16.54 C +ATOM 175 CD1 TRP B 54 -20.760 34.534 -24.224 1.00 18.88 C +ATOM 176 CD2 TRP B 54 -22.850 33.901 -24.709 1.00 19.56 C +ATOM 177 NE1 TRP B 54 -21.240 35.375 -25.208 1.00 18.61 N +ATOM 178 CE2 TRP B 54 -22.517 35.001 -25.528 1.00 15.87 C +ATOM 179 CE3 TRP B 54 -24.124 33.327 -24.834 1.00 22.11 C +ATOM 180 CZ2 TRP B 54 -23.400 35.535 -26.454 1.00 14.15 C +ATOM 181 CZ3 TRP B 54 -25.004 33.862 -25.766 1.00 16.31 C +ATOM 182 CH2 TRP B 54 -24.634 34.953 -26.556 1.00 17.39 C +ATOM 183 N ARG B 55 -21.593 30.813 -25.823 1.00 14.28 N +ATOM 184 CA ARG B 55 -22.451 30.198 -26.848 1.00 13.96 C +ATOM 185 C ARG B 55 -22.245 28.698 -26.873 1.00 13.26 C +ATOM 186 O ARG B 55 -23.192 27.938 -27.088 1.00 14.00 O +ATOM 187 CB ARG B 55 -22.249 30.770 -28.241 1.00 11.76 C +ATOM 188 CG ARG B 55 -22.072 32.242 -28.273 1.00 14.39 C +ATOM 189 CD ARG B 55 -22.264 32.762 -29.674 1.00 17.56 C +ATOM 190 NE ARG B 55 -23.634 33.186 -29.962 1.00 17.68 N +ATOM 191 CZ ARG B 55 -23.973 34.441 -30.233 1.00 16.37 C +ATOM 192 NH1 ARG B 55 -23.042 35.386 -30.241 1.00 16.15 N +ATOM 193 NH2 ARG B 55 -25.235 34.756 -30.496 1.00 14.35 N +ATOM 194 N ARG B 56 -21.013 28.274 -26.636 1.00 12.38 N +ATOM 195 CA ARG B 56 -20.711 26.859 -26.629 1.00 13.78 C +ATOM 196 C ARG B 56 -21.407 26.251 -25.412 1.00 15.67 C +ATOM 197 O ARG B 56 -22.103 25.233 -25.531 1.00 14.80 O +ATOM 198 CB ARG B 56 -19.192 26.640 -26.643 1.00 12.56 C +ATOM 199 CG ARG B 56 -18.718 25.195 -26.752 1.00 14.31 C +ATOM 200 CD ARG B 56 -19.638 24.293 -27.572 1.00 14.67 C +ATOM 201 NE ARG B 56 -19.231 22.889 -27.500 1.00 16.90 N +ATOM 202 CZ ARG B 56 -20.039 21.840 -27.682 1.00 20.52 C +ATOM 203 NH1 ARG B 56 -21.333 22.010 -27.931 1.00 20.21 N +ATOM 204 NH2 ARG B 56 -19.552 20.601 -27.602 1.00 20.66 N +ATOM 205 N LEU B 57 -21.270 26.918 -24.260 1.00 17.91 N +ATOM 206 CA LEU B 57 -21.931 26.477 -23.036 1.00 18.82 C +ATOM 207 C LEU B 57 -23.407 26.336 -23.300 1.00 19.04 C +ATOM 208 O LEU B 57 -23.954 25.246 -23.146 1.00 19.48 O +ATOM 209 CB LEU B 57 -21.686 27.435 -21.856 1.00 20.26 C +ATOM 210 CG LEU B 57 -22.487 27.167 -20.569 1.00 18.95 C +ATOM 211 CD1 LEU B 57 -22.100 25.845 -19.934 1.00 18.27 C +ATOM 212 CD2 LEU B 57 -22.301 28.292 -19.590 1.00 18.36 C +ATOM 213 N ALA B 58 -24.028 27.445 -23.702 1.00 18.96 N +ATOM 214 CA ALA B 58 -25.453 27.508 -24.019 1.00 19.03 C +ATOM 215 C ALA B 58 -25.823 26.383 -24.967 1.00 20.35 C +ATOM 216 O ALA B 58 -26.879 25.775 -24.831 1.00 20.78 O +ATOM 217 CB ALA B 58 -25.781 28.834 -24.667 1.00 17.12 C +ATOM 218 N GLU B 59 -24.939 26.106 -25.929 1.00 21.32 N +ATOM 219 CA GLU B 59 -25.209 25.105 -26.953 1.00 20.58 C +ATOM 220 C GLU B 59 -25.186 23.702 -26.357 1.00 20.14 C +ATOM 221 O GLU B 59 -26.003 22.849 -26.715 1.00 18.21 O +ATOM 222 CB GLU B 59 -24.187 25.213 -28.073 1.00 20.36 C +ATOM 223 CG GLU B 59 -24.797 24.995 -29.425 1.00 22.95 C +ATOM 224 CD GLU B 59 -24.087 23.911 -30.199 1.00 27.22 C +ATOM 225 OE1 GLU B 59 -22.869 23.720 -29.974 1.00 29.40 O +ATOM 226 OE2 GLU B 59 -24.746 23.244 -31.032 1.00 28.31 O +ATOM 227 N LEU B 60 -24.249 23.504 -25.429 1.00 21.27 N +ATOM 228 CA LEU B 60 -23.983 22.223 -24.761 1.00 22.56 C +ATOM 229 C LEU B 60 -25.123 21.800 -23.829 1.00 22.83 C +ATOM 230 O LEU B 60 -25.452 20.621 -23.733 1.00 23.27 O +ATOM 231 CB LEU B 60 -22.668 22.334 -23.978 1.00 22.00 C +ATOM 232 CG LEU B 60 -21.828 21.114 -23.628 1.00 22.09 C +ATOM 233 CD1 LEU B 60 -22.526 20.187 -22.647 1.00 24.07 C +ATOM 234 CD2 LEU B 60 -21.430 20.361 -24.879 1.00 26.63 C +ATOM 235 N ALA B 61 -25.703 22.776 -23.144 1.00 23.70 N +ATOM 236 CA ALA B 61 -26.878 22.589 -22.310 1.00 24.91 C +ATOM 237 C ALA B 61 -28.167 22.867 -23.128 1.00 26.43 C +ATOM 238 O ALA B 61 -28.474 24.019 -23.447 1.00 27.28 O +ATOM 239 CB ALA B 61 -26.775 23.517 -21.134 1.00 22.93 C +ATOM 240 N GLY B 62 -28.906 21.826 -23.506 1.00 27.36 N +ATOM 241 CA GLY B 62 -30.108 22.020 -24.341 1.00 27.36 C +ATOM 242 C GLY B 62 -30.029 21.375 -25.708 1.00 27.23 C +ATOM 243 O GLY B 62 -29.958 20.146 -25.819 1.00 28.52 O +ATOM 244 N LEU B 69 -33.761 25.534 -23.448 1.00 23.73 N +ATOM 245 CA LEU B 69 -32.968 26.722 -23.848 1.00 26.76 C +ATOM 246 C LEU B 69 -32.829 26.883 -25.379 1.00 25.68 C +ATOM 247 O LEU B 69 -32.389 25.960 -26.042 1.00 26.80 O +ATOM 248 CB LEU B 69 -31.562 26.649 -23.227 1.00 27.32 C +ATOM 249 CG LEU B 69 -30.777 27.930 -22.902 1.00 27.19 C +ATOM 250 CD1 LEU B 69 -31.314 28.585 -21.636 1.00 29.11 C +ATOM 251 CD2 LEU B 69 -29.324 27.586 -22.680 1.00 24.67 C +ATOM 252 N SER B 70 -33.184 28.043 -25.936 1.00 24.82 N +ATOM 253 CA SER B 70 -33.274 28.188 -27.393 1.00 23.79 C +ATOM 254 C SER B 70 -32.594 29.443 -27.909 1.00 24.09 C +ATOM 255 O SER B 70 -32.274 30.344 -27.131 1.00 24.58 O +ATOM 256 CB SER B 70 -34.737 28.241 -27.812 1.00 23.60 C +ATOM 257 OG SER B 70 -35.300 29.495 -27.453 1.00 26.43 O +ATOM 258 N CYS B 71 -32.397 29.484 -29.230 1.00 24.00 N +ATOM 259 CA CYS B 71 -31.986 30.675 -29.991 1.00 22.72 C +ATOM 260 C CYS B 71 -32.557 31.971 -29.467 1.00 22.34 C +ATOM 261 O CYS B 71 -31.809 32.853 -29.066 1.00 22.44 O +ATOM 262 CB CYS B 71 -32.427 30.541 -31.445 1.00 23.95 C +ATOM 263 SG CYS B 71 -31.241 29.736 -32.492 1.00 26.33 S +ATOM 264 N LEU B 72 -33.881 32.099 -29.478 1.00 23.20 N +ATOM 265 CA LEU B 72 -34.499 33.338 -29.001 1.00 25.24 C +ATOM 266 C LEU B 72 -34.214 33.611 -27.523 1.00 26.13 C +ATOM 267 O LEU B 72 -34.018 34.765 -27.139 1.00 28.06 O +ATOM 268 CB LEU B 72 -35.992 33.476 -29.366 1.00 24.73 C +ATOM 269 CG LEU B 72 -37.017 32.335 -29.372 1.00 26.29 C +ATOM 270 CD1 LEU B 72 -38.410 32.914 -29.639 1.00 25.17 C +ATOM 271 CD2 LEU B 72 -36.698 31.224 -30.394 1.00 25.95 C +ATOM 272 N ASP B 73 -34.136 32.559 -26.709 1.00 26.36 N +ATOM 273 CA ASP B 73 -33.699 32.722 -25.317 1.00 27.62 C +ATOM 274 C ASP B 73 -32.290 33.343 -25.303 1.00 27.05 C +ATOM 275 O ASP B 73 -32.038 34.312 -24.595 1.00 26.66 O +ATOM 276 CB ASP B 73 -33.767 31.389 -24.527 1.00 27.87 C +ATOM 277 CG ASP B 73 -35.174 30.730 -24.556 1.00 29.68 C +ATOM 278 OD1 ASP B 73 -35.259 29.485 -24.421 1.00 34.42 O +ATOM 279 OD2 ASP B 73 -36.198 31.439 -24.696 1.00 28.11 O +ATOM 280 N LEU B 74 -31.401 32.818 -26.146 1.00 27.52 N +ATOM 281 CA LEU B 74 -30.028 33.336 -26.268 1.00 27.15 C +ATOM 282 C LEU B 74 -29.910 34.769 -26.820 1.00 27.55 C +ATOM 283 O LEU B 74 -28.913 35.449 -26.577 1.00 28.66 O +ATOM 284 CB LEU B 74 -29.159 32.400 -27.110 1.00 25.83 C +ATOM 285 CG LEU B 74 -29.084 30.898 -26.773 1.00 25.65 C +ATOM 286 CD1 LEU B 74 -27.877 30.236 -27.462 1.00 21.14 C +ATOM 287 CD2 LEU B 74 -29.066 30.644 -25.263 1.00 21.79 C +ATOM 288 N GLU B 75 -30.899 35.248 -27.559 1.00 25.93 N +ATOM 289 CA GLU B 75 -30.753 36.590 -28.067 1.00 26.23 C +ATOM 290 C GLU B 75 -30.809 37.627 -26.956 1.00 26.35 C +ATOM 291 O GLU B 75 -29.988 38.540 -26.935 1.00 27.33 O +ATOM 292 CB GLU B 75 -31.730 36.882 -29.194 1.00 26.84 C +ATOM 293 CG GLU B 75 -31.108 36.515 -30.521 1.00 29.16 C +ATOM 294 CD GLU B 75 -32.093 36.443 -31.672 1.00 33.20 C +ATOM 295 OE1 GLU B 75 -33.247 36.906 -31.520 1.00 33.77 O +ATOM 296 OE2 GLU B 75 -31.708 35.908 -32.739 1.00 33.46 O +ATOM 297 N GLN B 76 -31.746 37.470 -26.020 1.00 25.04 N +ATOM 298 CA GLN B 76 -31.797 38.326 -24.833 1.00 23.13 C +ATOM 299 C GLN B 76 -30.394 38.550 -24.268 1.00 22.17 C +ATOM 300 O GLN B 76 -30.086 39.628 -23.753 1.00 22.86 O +ATOM 301 CB GLN B 76 -32.662 37.676 -23.752 1.00 23.93 C +ATOM 302 CG GLN B 76 -34.080 37.324 -24.187 1.00 25.83 C +ATOM 303 CD GLN B 76 -35.064 38.490 -24.071 1.00 26.27 C +ATOM 304 OE1 GLN B 76 -34.670 39.658 -24.020 1.00 25.92 O +ATOM 305 NE2 GLN B 76 -36.356 38.167 -24.033 1.00 25.58 N +ATOM 306 N CYS B 77 -29.561 37.515 -24.378 1.00 19.80 N +ATOM 307 CA CYS B 77 -28.236 37.479 -23.789 1.00 20.37 C +ATOM 308 C CYS B 77 -27.205 38.133 -24.665 1.00 20.09 C +ATOM 309 O CYS B 77 -26.292 38.792 -24.187 1.00 20.85 O +ATOM 310 CB CYS B 77 -27.819 36.033 -23.525 1.00 19.30 C +ATOM 311 SG CYS B 77 -28.725 35.280 -22.149 1.00 30.63 S +ATOM 312 N SER B 78 -27.352 37.908 -25.957 1.00 19.42 N +ATOM 313 CA SER B 78 -26.420 38.358 -26.958 1.00 17.85 C +ATOM 314 C SER B 78 -26.442 39.876 -27.027 1.00 17.70 C +ATOM 315 O SER B 78 -25.401 40.523 -27.108 1.00 17.39 O +ATOM 316 CB SER B 78 -26.885 37.756 -28.270 1.00 18.30 C +ATOM 317 OG SER B 78 -26.212 38.310 -29.366 1.00 25.38 O +ATOM 318 N LEU B 79 -27.649 40.433 -26.970 1.00 17.86 N +ATOM 319 CA LEU B 79 -27.865 41.858 -27.034 1.00 19.03 C +ATOM 320 C LEU B 79 -27.401 42.625 -25.782 1.00 22.10 C +ATOM 321 O LEU B 79 -27.546 43.866 -25.716 1.00 24.00 O +ATOM 322 CB LEU B 79 -29.323 42.136 -27.363 1.00 16.29 C +ATOM 323 CG LEU B 79 -29.522 41.782 -28.846 1.00 19.93 C +ATOM 324 CD1 LEU B 79 -30.725 40.877 -29.084 1.00 22.02 C +ATOM 325 CD2 LEU B 79 -29.567 43.005 -29.771 1.00 13.76 C +ATOM 326 N LYS B 80 -26.826 41.904 -24.814 1.00 22.14 N +ATOM 327 CA LYS B 80 -26.356 42.519 -23.578 1.00 23.58 C +ATOM 328 C LYS B 80 -25.121 43.357 -23.854 1.00 24.41 C +ATOM 329 O LYS B 80 -24.872 44.359 -23.190 1.00 26.21 O +ATOM 330 CB LYS B 80 -26.084 41.464 -22.489 1.00 23.03 C +ATOM 331 CG LYS B 80 -27.360 40.935 -21.803 1.00 25.09 C +ATOM 332 CD LYS B 80 -27.978 42.010 -20.884 1.00 26.48 C +ATOM 333 CE LYS B 80 -29.488 42.100 -21.020 1.00 27.63 C +ATOM 334 NZ LYS B 80 -30.206 41.115 -20.188 1.00 28.48 N +ATOM 335 N VAL B 81 -24.374 42.955 -24.870 1.00 25.47 N +ATOM 336 CA VAL B 81 -23.102 43.571 -25.227 1.00 24.71 C +ATOM 337 C VAL B 81 -23.274 45.036 -25.671 1.00 24.28 C +ATOM 338 O VAL B 81 -22.340 45.828 -25.620 1.00 24.65 O +ATOM 339 CB VAL B 81 -22.403 42.692 -26.308 1.00 24.53 C +ATOM 340 CG1 VAL B 81 -23.132 42.764 -27.622 1.00 24.06 C +ATOM 341 CG2 VAL B 81 -20.957 43.067 -26.478 1.00 29.06 C +ATOM 342 N LEU B 82 -24.488 45.385 -26.086 1.00 25.89 N +ATOM 343 CA LEU B 82 -24.829 46.749 -26.475 1.00 26.71 C +ATOM 344 C LEU B 82 -24.796 47.701 -25.291 1.00 29.01 C +ATOM 345 O LEU B 82 -24.562 48.905 -25.460 1.00 30.02 O +ATOM 346 CB LEU B 82 -26.216 46.782 -27.091 1.00 24.92 C +ATOM 347 CG LEU B 82 -26.361 45.980 -28.374 1.00 26.08 C +ATOM 348 CD1 LEU B 82 -27.821 45.950 -28.742 1.00 26.68 C +ATOM 349 CD2 LEU B 82 -25.517 46.572 -29.511 1.00 21.29 C +ATOM 350 N GLU B 83 -25.046 47.156 -24.102 1.00 30.79 N +ATOM 351 CA GLU B 83 -25.053 47.923 -22.865 1.00 32.39 C +ATOM 352 C GLU B 83 -23.613 48.074 -22.423 1.00 31.84 C +ATOM 353 O GLU B 83 -22.897 47.085 -22.338 1.00 31.64 O +ATOM 354 CB GLU B 83 -25.905 47.223 -21.806 1.00 32.61 C +ATOM 355 CG GLU B 83 -27.331 46.907 -22.299 1.00 34.71 C +ATOM 356 CD GLU B 83 -28.250 46.378 -21.208 1.00 34.91 C +ATOM 357 OE1 GLU B 83 -28.245 46.943 -20.097 1.00 39.27 O +ATOM 358 OE2 GLU B 83 -28.993 45.406 -21.462 1.00 36.35 O +ATOM 359 N PRO B 84 -23.180 49.320 -22.158 1.00 32.22 N +ATOM 360 CA PRO B 84 -21.759 49.655 -22.044 1.00 32.31 C +ATOM 361 C PRO B 84 -20.903 48.637 -21.263 1.00 32.94 C +ATOM 362 O PRO B 84 -19.780 48.317 -21.681 1.00 33.40 O +ATOM 363 CB PRO B 84 -21.790 51.012 -21.352 1.00 31.63 C +ATOM 364 CG PRO B 84 -23.050 51.624 -21.845 1.00 31.47 C +ATOM 365 CD PRO B 84 -24.035 50.502 -21.936 1.00 31.71 C +ATOM 366 N GLU B 85 -21.436 48.120 -20.159 1.00 32.57 N +ATOM 367 CA GLU B 85 -20.674 47.217 -19.293 1.00 31.86 C +ATOM 368 C GLU B 85 -21.213 45.788 -19.384 1.00 30.56 C +ATOM 369 O GLU B 85 -20.606 44.858 -18.854 1.00 30.78 O +ATOM 370 CB GLU B 85 -20.715 47.734 -17.846 1.00 32.79 C +ATOM 371 CG GLU B 85 -19.515 47.373 -16.970 1.00 35.62 C +ATOM 372 CD GLU B 85 -19.836 46.342 -15.888 1.00 38.46 C +ATOM 373 OE1 GLU B 85 -20.643 45.421 -16.137 1.00 39.95 O +ATOM 374 OE2 GLU B 85 -19.272 46.451 -14.777 1.00 37.73 O +ATOM 375 N GLY B 86 -22.335 45.626 -20.088 1.00 28.52 N +ATOM 376 CA GLY B 86 -23.104 44.374 -20.128 1.00 25.88 C +ATOM 377 C GLY B 86 -22.391 43.068 -20.454 1.00 24.42 C +ATOM 378 O GLY B 86 -21.362 43.065 -21.137 1.00 24.44 O +ATOM 379 N SER B 87 -22.951 41.959 -19.957 1.00 22.28 N +ATOM 380 CA SER B 87 -22.429 40.616 -20.230 1.00 22.30 C +ATOM 381 C SER B 87 -23.487 39.553 -20.547 1.00 20.72 C +ATOM 382 O SER B 87 -24.393 39.282 -19.732 1.00 19.93 O +ATOM 383 CB SER B 87 -21.515 40.110 -19.109 1.00 22.56 C +ATOM 384 OG SER B 87 -22.235 40.008 -17.901 1.00 26.74 O +ATOM 385 N PRO B 88 -23.346 38.922 -21.733 1.00 18.45 N +ATOM 386 CA PRO B 88 -24.243 37.848 -22.166 1.00 18.72 C +ATOM 387 C PRO B 88 -24.135 36.626 -21.228 1.00 19.58 C +ATOM 388 O PRO B 88 -25.127 35.948 -20.933 1.00 19.96 O +ATOM 389 CB PRO B 88 -23.732 37.525 -23.578 1.00 18.24 C +ATOM 390 CG PRO B 88 -22.924 38.752 -23.990 1.00 14.90 C +ATOM 391 CD PRO B 88 -22.304 39.216 -22.734 1.00 14.39 C +ATOM 392 N SER B 89 -22.925 36.376 -20.748 1.00 19.25 N +ATOM 393 CA SER B 89 -22.695 35.307 -19.812 1.00 19.40 C +ATOM 394 C SER B 89 -23.563 35.486 -18.555 1.00 20.32 C +ATOM 395 O SER B 89 -24.194 34.519 -18.104 1.00 21.07 O +ATOM 396 CB SER B 89 -21.210 35.236 -19.472 1.00 18.45 C +ATOM 397 OG SER B 89 -20.447 35.218 -20.660 1.00 20.22 O +ATOM 398 N LEU B 90 -23.624 36.714 -18.021 1.00 19.44 N +ATOM 399 CA LEU B 90 -24.446 37.011 -16.828 1.00 17.87 C +ATOM 400 C LEU B 90 -25.881 36.717 -17.133 1.00 18.30 C +ATOM 401 O LEU B 90 -26.549 35.981 -16.398 1.00 20.29 O +ATOM 402 CB LEU B 90 -24.305 38.462 -16.378 1.00 17.14 C +ATOM 403 CG LEU B 90 -24.972 38.877 -15.064 1.00 19.15 C +ATOM 404 CD1 LEU B 90 -24.777 37.821 -13.988 1.00 14.16 C +ATOM 405 CD2 LEU B 90 -24.430 40.234 -14.585 1.00 15.31 C +ATOM 406 N CYS B 91 -26.352 37.249 -18.249 1.00 20.84 N +ATOM 407 CA CYS B 91 -27.680 36.895 -18.715 1.00 19.73 C +ATOM 408 C CYS B 91 -27.807 35.353 -18.783 1.00 17.27 C +ATOM 409 O CYS B 91 -28.734 34.785 -18.202 1.00 17.51 O +ATOM 410 CB CYS B 91 -27.991 37.581 -20.042 1.00 19.60 C +ATOM 411 SG CYS B 91 -29.427 36.884 -20.954 1.00 29.65 S +ATOM 412 N LEU B 92 -26.849 34.680 -19.421 1.00 15.20 N +ATOM 413 CA LEU B 92 -26.951 33.220 -19.625 1.00 14.58 C +ATOM 414 C LEU B 92 -27.007 32.376 -18.328 1.00 14.64 C +ATOM 415 O LEU B 92 -27.772 31.410 -18.230 1.00 13.34 O +ATOM 416 CB LEU B 92 -25.831 32.698 -20.536 1.00 12.00 C +ATOM 417 CG LEU B 92 -25.848 31.167 -20.681 1.00 8.50 C +ATOM 418 CD1 LEU B 92 -27.042 30.700 -21.491 1.00 5.60 C +ATOM 419 CD2 LEU B 92 -24.560 30.650 -21.275 1.00 9.66 C +ATOM 420 N LEU B 93 -26.168 32.726 -17.363 1.00 14.50 N +ATOM 421 CA LEU B 93 -26.093 31.979 -16.134 1.00 15.73 C +ATOM 422 C LEU B 93 -27.391 32.159 -15.333 1.00 17.11 C +ATOM 423 O LEU B 93 -27.966 31.176 -14.869 1.00 17.59 O +ATOM 424 CB LEU B 93 -24.857 32.398 -15.332 1.00 15.30 C +ATOM 425 CG LEU B 93 -23.484 32.058 -15.951 1.00 14.64 C +ATOM 426 CD1 LEU B 93 -22.334 32.621 -15.094 1.00 13.53 C +ATOM 427 CD2 LEU B 93 -23.267 30.561 -16.248 1.00 10.68 C +ATOM 428 N LYS B 94 -27.867 33.399 -15.212 1.00 17.36 N +ATOM 429 CA LYS B 94 -29.166 33.660 -14.548 1.00 18.60 C +ATOM 430 C LYS B 94 -30.287 32.874 -15.217 1.00 18.71 C +ATOM 431 O LYS B 94 -31.051 32.188 -14.550 1.00 22.44 O +ATOM 432 CB LYS B 94 -29.504 35.167 -14.492 1.00 16.79 C +ATOM 433 CG LYS B 94 -28.648 35.937 -13.513 1.00 15.84 C +ATOM 434 CD LYS B 94 -28.685 37.421 -13.791 1.00 19.34 C +ATOM 435 CE LYS B 94 -27.949 38.214 -12.703 1.00 21.52 C +ATOM 436 NZ LYS B 94 -28.123 39.694 -12.835 1.00 21.37 N +ATOM 437 N LEU B 95 -30.375 32.971 -16.533 1.00 17.97 N +ATOM 438 CA LEU B 95 -31.279 32.144 -17.312 1.00 17.50 C +ATOM 439 C LEU B 95 -31.115 30.659 -16.997 1.00 17.20 C +ATOM 440 O LEU B 95 -32.097 29.975 -16.746 1.00 17.11 O +ATOM 441 CB LEU B 95 -31.015 32.379 -18.794 1.00 17.87 C +ATOM 442 CG LEU B 95 -32.146 32.103 -19.772 1.00 19.27 C +ATOM 443 CD1 LEU B 95 -33.506 32.392 -19.151 1.00 21.63 C +ATOM 444 CD2 LEU B 95 -31.921 32.952 -21.021 1.00 20.18 C +ATOM 445 N MET B 96 -29.878 30.164 -17.007 1.00 17.83 N +ATOM 446 CA MET B 96 -29.610 28.758 -16.669 1.00 19.34 C +ATOM 447 C MET B 96 -30.018 28.437 -15.233 1.00 19.17 C +ATOM 448 O MET B 96 -30.541 27.344 -14.965 1.00 17.66 O +ATOM 449 CB MET B 96 -28.144 28.365 -16.914 1.00 19.82 C +ATOM 450 CG MET B 96 -27.844 27.876 -18.346 1.00 19.80 C +ATOM 451 SD MET B 96 -26.085 27.958 -18.759 1.00 17.93 S +ATOM 452 CE MET B 96 -25.331 26.774 -17.610 1.00 15.57 C +ATOM 453 N GLY B 97 -29.791 29.393 -14.330 1.00 18.90 N +ATOM 454 CA GLY B 97 -30.241 29.285 -12.937 1.00 19.85 C +ATOM 455 C GLY B 97 -31.746 29.102 -12.821 1.00 19.81 C +ATOM 456 O GLY B 97 -32.204 28.128 -12.248 1.00 17.60 O +ATOM 457 N GLU B 98 -32.500 30.049 -13.387 1.00 21.46 N +ATOM 458 CA GLU B 98 -33.955 30.003 -13.463 1.00 23.56 C +ATOM 459 C GLU B 98 -34.436 28.641 -13.985 1.00 24.35 C +ATOM 460 O GLU B 98 -35.426 28.097 -13.473 1.00 25.87 O +ATOM 461 CB GLU B 98 -34.480 31.135 -14.350 1.00 21.71 C +ATOM 462 CG GLU B 98 -33.981 32.537 -13.965 1.00 25.88 C +ATOM 463 CD GLU B 98 -34.274 33.642 -15.029 1.00 29.25 C +ATOM 464 OE1 GLU B 98 -35.014 33.386 -16.017 1.00 34.93 O +ATOM 465 OE2 GLU B 98 -33.764 34.784 -14.870 1.00 29.50 O +ATOM 466 N LYS B 99 -33.723 28.082 -14.975 1.00 25.21 N +ATOM 467 CA LYS B 99 -34.087 26.793 -15.609 1.00 23.82 C +ATOM 468 C LYS B 99 -33.811 25.598 -14.710 1.00 23.48 C +ATOM 469 O LYS B 99 -34.273 24.487 -14.995 1.00 25.38 O +ATOM 470 CB LYS B 99 -33.350 26.579 -16.939 1.00 24.27 C +ATOM 471 CG LYS B 99 -33.378 27.740 -17.915 1.00 24.68 C +ATOM 472 CD LYS B 99 -34.710 27.849 -18.620 1.00 27.15 C +ATOM 473 CE LYS B 99 -34.636 28.862 -19.739 1.00 27.14 C +ATOM 474 NZ LYS B 99 -35.910 28.939 -20.506 1.00 27.66 N +ATOM 475 N GLY B 100 -33.032 25.814 -13.652 1.00 22.91 N +ATOM 476 CA GLY B 100 -32.769 24.775 -12.646 1.00 24.27 C +ATOM 477 C GLY B 100 -31.332 24.316 -12.436 1.00 25.05 C +ATOM 478 O GLY B 100 -31.093 23.320 -11.774 1.00 26.05 O +ATOM 479 N CYS B 101 -30.374 25.054 -12.977 1.00 26.12 N +ATOM 480 CA CYS B 101 -28.974 24.657 -12.941 1.00 25.18 C +ATOM 481 C CYS B 101 -28.344 25.025 -11.584 1.00 23.70 C +ATOM 482 O CYS B 101 -28.574 26.123 -11.050 1.00 23.37 O +ATOM 483 CB CYS B 101 -28.231 25.303 -14.141 1.00 25.61 C +ATOM 484 SG CYS B 101 -26.602 24.623 -14.706 1.00 28.68 S +ATOM 485 N THR B 102 -27.571 24.084 -11.040 1.00 22.62 N +ATOM 486 CA THR B 102 -26.761 24.277 -9.844 1.00 21.87 C +ATOM 487 C THR B 102 -25.353 24.566 -10.285 1.00 21.13 C +ATOM 488 O THR B 102 -25.025 24.400 -11.450 1.00 22.95 O +ATOM 489 CB THR B 102 -26.668 22.993 -9.058 1.00 22.58 C +ATOM 490 OG1 THR B 102 -27.781 22.149 -9.388 1.00 21.79 O +ATOM 491 CG2 THR B 102 -26.588 23.286 -7.520 1.00 26.47 C +ATOM 492 N VAL B 103 -24.503 24.970 -9.357 1.00 21.01 N +ATOM 493 CA VAL B 103 -23.078 25.086 -9.640 1.00 20.73 C +ATOM 494 C VAL B 103 -22.415 23.725 -9.924 1.00 21.63 C +ATOM 495 O VAL B 103 -21.313 23.669 -10.482 1.00 25.10 O +ATOM 496 CB VAL B 103 -22.332 25.807 -8.498 1.00 20.86 C +ATOM 497 CG1 VAL B 103 -20.828 25.884 -8.784 1.00 18.38 C +ATOM 498 CG2 VAL B 103 -22.912 27.201 -8.290 1.00 21.08 C +ATOM 499 N THR B 104 -23.061 22.625 -9.559 1.00 20.77 N +ATOM 500 CA THR B 104 -22.479 21.334 -9.893 1.00 21.00 C +ATOM 501 C THR B 104 -22.849 20.918 -11.293 1.00 21.00 C +ATOM 502 O THR B 104 -22.066 20.255 -11.950 1.00 23.98 O +ATOM 503 CB THR B 104 -22.774 20.185 -8.877 1.00 20.13 C +ATOM 504 OG1 THR B 104 -24.024 20.410 -8.211 1.00 22.02 O +ATOM 505 CG2 THR B 104 -21.660 20.099 -7.863 1.00 18.81 C +ATOM 506 N GLU B 105 -24.036 21.286 -11.752 1.00 20.73 N +ATOM 507 CA GLU B 105 -24.404 20.978 -13.121 1.00 21.73 C +ATOM 508 C GLU B 105 -23.557 21.799 -14.079 1.00 22.90 C +ATOM 509 O GLU B 105 -23.159 21.288 -15.128 1.00 23.63 O +ATOM 510 CB GLU B 105 -25.894 21.170 -13.351 1.00 21.05 C +ATOM 511 CG GLU B 105 -26.713 20.043 -12.729 1.00 26.07 C +ATOM 512 CD GLU B 105 -28.203 20.352 -12.619 1.00 31.19 C +ATOM 513 OE1 GLU B 105 -28.793 20.832 -13.616 1.00 33.88 O +ATOM 514 OE2 GLU B 105 -28.788 20.099 -11.536 1.00 30.96 O +ATOM 515 N LEU B 106 -23.252 23.043 -13.682 1.00 23.24 N +ATOM 516 CA LEU B 106 -22.408 23.964 -14.455 1.00 22.81 C +ATOM 517 C LEU B 106 -21.039 23.356 -14.713 1.00 24.27 C +ATOM 518 O LEU B 106 -20.538 23.407 -15.846 1.00 24.47 O +ATOM 519 CB LEU B 106 -22.258 25.317 -13.738 1.00 23.10 C +ATOM 520 CG LEU B 106 -21.432 26.423 -14.426 1.00 22.93 C +ATOM 521 CD1 LEU B 106 -21.855 26.615 -15.863 1.00 19.50 C +ATOM 522 CD2 LEU B 106 -21.543 27.751 -13.675 1.00 19.97 C +ATOM 523 N SER B 107 -20.437 22.787 -13.667 1.00 24.09 N +ATOM 524 CA SER B 107 -19.143 22.130 -13.807 1.00 24.69 C +ATOM 525 C SER B 107 -19.228 20.941 -14.737 1.00 25.60 C +ATOM 526 O SER B 107 -18.383 20.798 -15.617 1.00 26.92 O +ATOM 527 CB SER B 107 -18.598 21.709 -12.464 1.00 24.73 C +ATOM 528 OG SER B 107 -18.195 22.865 -11.770 1.00 27.18 O +ATOM 529 N ASP B 108 -20.256 20.111 -14.571 1.00 25.10 N +ATOM 530 CA ASP B 108 -20.585 19.084 -15.568 1.00 26.51 C +ATOM 531 C ASP B 108 -20.503 19.566 -17.027 1.00 26.23 C +ATOM 532 O ASP B 108 -19.906 18.894 -17.867 1.00 26.96 O +ATOM 533 CB ASP B 108 -21.977 18.509 -15.316 1.00 26.69 C +ATOM 534 CG ASP B 108 -21.982 17.480 -14.226 1.00 28.45 C +ATOM 535 OD1 ASP B 108 -20.999 17.438 -13.451 1.00 30.58 O +ATOM 536 OD2 ASP B 108 -22.973 16.718 -14.138 1.00 30.54 O +ATOM 537 N PHE B 109 -21.127 20.708 -17.305 1.00 25.09 N +ATOM 538 CA PHE B 109 -21.154 21.312 -18.629 1.00 24.31 C +ATOM 539 C PHE B 109 -19.801 21.834 -19.067 1.00 24.04 C +ATOM 540 O PHE B 109 -19.362 21.536 -20.159 1.00 23.52 O +ATOM 541 CB PHE B 109 -22.189 22.426 -18.676 1.00 23.42 C +ATOM 542 CG PHE B 109 -23.590 21.933 -18.535 1.00 23.99 C +ATOM 543 CD1 PHE B 109 -24.064 20.915 -19.365 1.00 26.29 C +ATOM 544 CD2 PHE B 109 -24.445 22.477 -17.589 1.00 22.74 C +ATOM 545 CE1 PHE B 109 -25.370 20.440 -19.258 1.00 25.04 C +ATOM 546 CE2 PHE B 109 -25.753 22.019 -17.473 1.00 21.89 C +ATOM 547 CZ PHE B 109 -26.219 20.992 -18.305 1.00 23.18 C +ATOM 548 N LEU B 110 -19.136 22.595 -18.204 1.00 25.19 N +ATOM 549 CA LEU B 110 -17.791 23.116 -18.493 1.00 23.53 C +ATOM 550 C LEU B 110 -16.714 22.043 -18.718 1.00 23.81 C +ATOM 551 O LEU B 110 -15.765 22.274 -19.473 1.00 24.60 O +ATOM 552 CB LEU B 110 -17.364 24.089 -17.391 1.00 22.17 C +ATOM 553 CG LEU B 110 -18.262 25.332 -17.320 1.00 19.16 C +ATOM 554 CD1 LEU B 110 -17.927 26.107 -16.083 1.00 17.00 C +ATOM 555 CD2 LEU B 110 -18.147 26.222 -18.569 1.00 14.91 C +ATOM 556 N GLN B 111 -16.872 20.892 -18.053 1.00 24.93 N +ATOM 557 CA GLN B 111 -15.999 19.701 -18.191 1.00 24.95 C +ATOM 558 C GLN B 111 -16.190 19.049 -19.554 1.00 25.03 C +ATOM 559 O GLN B 111 -15.226 18.828 -20.306 1.00 26.08 O +ATOM 560 CB GLN B 111 -16.364 18.666 -17.130 1.00 24.86 C +ATOM 561 CG GLN B 111 -15.245 17.735 -16.714 1.00 28.50 C +ATOM 562 CD GLN B 111 -14.495 18.233 -15.479 1.00 33.79 C +ATOM 563 OE1 GLN B 111 -15.099 18.620 -14.450 1.00 35.31 O +ATOM 564 NE2 GLN B 111 -13.167 18.218 -15.568 1.00 34.49 N +ATOM 565 N ALA B 112 -17.448 18.709 -19.834 1.00 23.32 N +ATOM 566 CA ALA B 112 -17.893 18.293 -21.151 1.00 22.59 C +ATOM 567 C ALA B 112 -17.417 19.256 -22.262 1.00 22.68 C +ATOM 568 O ALA B 112 -16.995 18.803 -23.314 1.00 21.93 O +ATOM 569 CB ALA B 112 -19.426 18.150 -21.160 1.00 21.85 C +ATOM 570 N MET B 113 -17.472 20.571 -22.025 1.00 22.83 N +ATOM 571 CA MET B 113 -17.052 21.557 -23.032 1.00 23.50 C +ATOM 572 C MET B 113 -15.587 21.329 -23.381 1.00 26.31 C +ATOM 573 O MET B 113 -15.233 21.155 -24.551 1.00 27.59 O +ATOM 574 CB MET B 113 -17.245 22.975 -22.523 1.00 22.01 C +ATOM 575 CG MET B 113 -17.373 24.032 -23.600 1.00 23.83 C +ATOM 576 SD MET B 113 -18.045 25.607 -22.974 1.00 21.95 S +ATOM 577 CE MET B 113 -19.230 24.942 -21.818 1.00 24.84 C +ATOM 578 N GLU B 114 -14.746 21.299 -22.351 1.00 27.26 N +ATOM 579 CA GLU B 114 -13.332 20.982 -22.488 1.00 26.54 C +ATOM 580 C GLU B 114 -13.106 19.625 -23.153 1.00 25.47 C +ATOM 581 O GLU B 114 -12.269 19.502 -24.021 1.00 26.89 O +ATOM 582 CB GLU B 114 -12.673 20.999 -21.117 1.00 26.31 C +ATOM 583 CG GLU B 114 -12.490 22.378 -20.524 1.00 28.94 C +ATOM 584 CD GLU B 114 -11.487 22.379 -19.381 1.00 33.57 C +ATOM 585 OE1 GLU B 114 -10.641 21.453 -19.323 1.00 34.90 O +ATOM 586 OE2 GLU B 114 -11.532 23.307 -18.536 1.00 36.75 O +ATOM 587 N HIS B 115 -13.877 18.625 -22.765 1.00 24.72 N +ATOM 588 CA HIS B 115 -13.688 17.273 -23.260 1.00 26.17 C +ATOM 589 C HIS B 115 -14.177 17.046 -24.690 1.00 26.12 C +ATOM 590 O HIS B 115 -13.588 16.258 -25.415 1.00 28.28 O +ATOM 591 CB HIS B 115 -14.305 16.260 -22.296 1.00 26.14 C +ATOM 592 CG HIS B 115 -13.519 16.079 -21.030 1.00 29.46 C +ATOM 593 ND1 HIS B 115 -13.745 15.039 -20.150 1.00 30.78 N +ATOM 594 CD2 HIS B 115 -12.494 16.794 -20.505 1.00 30.50 C +ATOM 595 CE1 HIS B 115 -12.907 15.132 -19.132 1.00 29.76 C +ATOM 596 NE2 HIS B 115 -12.132 16.184 -19.327 1.00 30.95 N +ATOM 597 N THR B 116 -15.231 17.728 -25.114 1.00 25.54 N +ATOM 598 CA THR B 116 -15.629 17.642 -26.520 1.00 24.94 C +ATOM 599 C THR B 116 -14.795 18.531 -27.448 1.00 24.72 C +ATOM 600 O THR B 116 -14.683 18.223 -28.645 1.00 25.21 O +ATOM 601 CB THR B 116 -17.089 17.978 -26.755 1.00 24.26 C +ATOM 602 OG1 THR B 116 -17.348 19.285 -26.225 1.00 30.55 O +ATOM 603 CG2 THR B 116 -18.029 16.908 -26.143 1.00 22.74 C +ATOM 604 N GLU B 117 -14.231 19.626 -26.918 1.00 24.23 N +ATOM 605 CA GLU B 117 -13.349 20.501 -27.713 1.00 24.62 C +ATOM 606 C GLU B 117 -12.155 19.727 -28.281 1.00 24.40 C +ATOM 607 O GLU B 117 -11.826 19.890 -29.454 1.00 25.02 O +ATOM 608 CB GLU B 117 -12.861 21.709 -26.925 1.00 23.66 C +ATOM 609 CG GLU B 117 -11.905 22.590 -27.715 1.00 25.13 C +ATOM 610 CD GLU B 117 -11.436 23.846 -26.970 1.00 28.20 C +ATOM 611 OE1 GLU B 117 -11.437 23.851 -25.712 1.00 30.31 O +ATOM 612 OE2 GLU B 117 -11.042 24.832 -27.658 1.00 31.99 O +ATOM 613 N VAL B 118 -11.515 18.897 -27.454 1.00 22.61 N +ATOM 614 CA VAL B 118 -10.462 18.011 -27.942 1.00 21.37 C +ATOM 615 C VAL B 118 -10.979 16.915 -28.847 1.00 21.97 C +ATOM 616 O VAL B 118 -10.441 16.739 -29.921 1.00 24.69 O +ATOM 617 CB VAL B 118 -9.628 17.376 -26.839 1.00 19.92 C +ATOM 618 CG1 VAL B 118 -8.443 18.229 -26.567 1.00 18.32 C +ATOM 619 CG2 VAL B 118 -10.480 17.114 -25.569 1.00 20.82 C +ATOM 620 N LEU B 119 -12.002 16.172 -28.428 1.00 23.41 N +ATOM 621 CA LEU B 119 -12.574 15.132 -29.284 1.00 24.39 C +ATOM 622 C LEU B 119 -12.848 15.684 -30.678 1.00 25.84 C +ATOM 623 O LEU B 119 -12.598 15.002 -31.684 1.00 27.48 O +ATOM 624 CB LEU B 119 -13.850 14.514 -28.698 1.00 24.00 C +ATOM 625 CG LEU B 119 -13.788 13.214 -27.888 1.00 23.58 C +ATOM 626 CD1 LEU B 119 -12.547 12.359 -28.209 1.00 19.85 C +ATOM 627 CD2 LEU B 119 -13.873 13.502 -26.394 1.00 24.39 C +ATOM 628 N GLN B 120 -13.328 16.925 -30.735 1.00 26.67 N +ATOM 629 CA GLN B 120 -13.561 17.608 -32.010 1.00 27.51 C +ATOM 630 C GLN B 120 -12.247 17.819 -32.776 1.00 26.69 C +ATOM 631 O GLN B 120 -12.124 17.413 -33.930 1.00 27.56 O +ATOM 632 CB GLN B 120 -14.320 18.926 -31.779 1.00 27.67 C +ATOM 633 CG GLN B 120 -14.293 19.926 -32.937 1.00 31.13 C +ATOM 634 CD GLN B 120 -13.537 21.213 -32.604 1.00 35.22 C +ATOM 635 OE1 GLN B 120 -13.906 21.955 -31.676 1.00 36.32 O +ATOM 636 NE2 GLN B 120 -12.488 21.499 -33.381 1.00 35.43 N +ATOM 637 N LEU B 121 -11.266 18.413 -32.105 1.00 26.52 N +ATOM 638 CA LEU B 121 -10.002 18.812 -32.705 1.00 27.24 C +ATOM 639 C LEU B 121 -9.204 17.644 -33.280 1.00 29.07 C +ATOM 640 O LEU B 121 -8.410 17.826 -34.201 1.00 29.66 O +ATOM 641 CB LEU B 121 -9.164 19.559 -31.672 1.00 27.20 C +ATOM 642 CG LEU B 121 -9.482 21.046 -31.587 1.00 27.61 C +ATOM 643 CD1 LEU B 121 -9.129 21.599 -30.221 1.00 27.63 C +ATOM 644 CD2 LEU B 121 -8.731 21.780 -32.696 1.00 27.82 C +ATOM 645 N LEU B 122 -9.417 16.456 -32.718 1.00 29.49 N +ATOM 646 CA LEU B 122 -8.798 15.229 -33.190 1.00 29.74 C +ATOM 647 C LEU B 122 -9.736 14.388 -34.065 1.00 30.30 C +ATOM 648 O LEU B 122 -9.500 13.196 -34.270 1.00 30.34 O +ATOM 649 CB LEU B 122 -8.354 14.389 -31.997 1.00 30.29 C +ATOM 650 CG LEU B 122 -7.379 15.006 -31.002 1.00 32.78 C +ATOM 651 CD1 LEU B 122 -7.231 14.099 -29.779 1.00 30.48 C +ATOM 652 CD2 LEU B 122 -6.043 15.234 -31.675 1.00 34.89 C +ATOM 653 N SER B 123 -10.805 14.985 -34.572 1.00 30.53 N +ATOM 654 CA SER B 123 -11.697 14.218 -35.431 1.00 31.53 C +ATOM 655 C SER B 123 -11.492 14.470 -36.931 1.00 31.43 C +ATOM 656 O SER B 123 -11.293 15.618 -37.350 1.00 30.43 O +ATOM 657 CB SER B 123 -13.156 14.389 -35.013 1.00 32.13 C +ATOM 658 OG SER B 123 -13.484 13.397 -34.059 1.00 32.72 O +ATOM 659 N PRO B 124 -11.513 13.383 -37.735 1.00 31.64 N +ATOM 660 CA PRO B 124 -11.383 13.449 -39.192 1.00 30.94 C +ATOM 661 C PRO B 124 -12.710 13.810 -39.854 1.00 30.34 C +ATOM 662 O PRO B 124 -13.070 14.985 -39.912 1.00 29.38 O +ATOM 663 CB PRO B 124 -10.967 12.017 -39.578 1.00 30.91 C +ATOM 664 CG PRO B 124 -10.823 11.242 -38.274 1.00 31.11 C +ATOM 665 CD PRO B 124 -11.644 11.988 -37.275 1.00 31.85 C Added: SwiftApps/modFTdock/input/indata/2jil-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2jil-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2jil-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,728 @@ +ATOM 1 N SER A -1 21.850 -6.573 5.210 1.00 24.46 N +ATOM 2 CA SER A -1 22.261 -5.402 4.392 1.00 28.75 C +ATOM 3 C SER A -1 21.259 -4.289 4.577 1.00 26.83 C +ATOM 4 O SER A -1 20.161 -4.506 5.101 1.00 24.20 O +ATOM 5 CB SER A -1 22.373 -5.785 2.910 1.00 34.77 C +ATOM 6 OG SER A -1 21.274 -6.588 2.508 1.00 47.29 O +ATOM 7 N MET A 0 21.646 -3.098 4.139 1.00 25.35 N +ATOM 8 CA MET A 0 20.782 -1.916 4.212 1.00 24.44 C +ATOM 9 C MET A 0 19.528 -2.104 3.364 1.00 27.19 C +ATOM 10 O MET A 0 19.588 -2.296 2.155 1.00 27.59 O +ATOM 11 CB MET A 0 21.559 -0.682 3.760 1.00 26.78 C +ATOM 12 CG AMET A 0 22.279 0.006 4.904 0.50 32.84 C +ATOM 13 CG BMET A 0 22.600 -0.160 4.760 0.50 34.66 C +ATOM 14 SD AMET A 0 21.050 0.994 5.799 0.50 34.06 S +ATOM 15 SD BMET A 0 22.030 0.249 6.415 0.50 34.29 S +ATOM 16 CE AMET A 0 21.963 1.570 7.224 0.50 25.15 C +ATOM 17 CE BMET A 0 20.460 0.990 6.014 0.50 20.43 C +ATOM 18 N ARG A 149 18.384 -2.073 4.034 1.00 22.10 N +ATOM 19 CA ARG A 149 17.110 -2.351 3.409 1.00 26.30 C +ATOM 20 C ARG A 149 16.093 -1.444 4.068 1.00 20.29 C +ATOM 21 O ARG A 149 16.325 -0.921 5.167 1.00 22.56 O +ATOM 22 CB ARG A 149 16.716 -3.815 3.588 1.00 25.80 C +ATOM 23 CG ARG A 149 17.657 -4.797 2.873 1.00 43.83 C +ATOM 24 CD ARG A 149 16.900 -5.945 2.229 1.00 57.75 C +ATOM 25 NE ARG A 149 17.619 -6.489 1.077 1.00 64.75 N +ATOM 26 CZ ARG A 149 17.715 -5.890 -0.112 1.00 63.98 C +ATOM 27 NH1 ARG A 149 17.151 -4.701 -0.324 1.00 48.71 N +ATOM 28 NH2 ARG A 149 18.391 -6.479 -1.097 1.00 58.02 N +ATOM 29 N THR A 150 14.994 -1.230 3.355 1.00 18.27 N +ATOM 30 CA THR A 150 13.895 -0.419 3.855 1.00 19.06 C +ATOM 31 C THR A 150 12.841 -1.364 4.419 1.00 19.00 C +ATOM 32 O THR A 150 12.530 -2.405 3.801 1.00 20.81 O +ATOM 33 CB THR A 150 13.246 0.414 2.746 1.00 25.43 C +ATOM 34 OG1 THR A 150 12.531 -0.463 1.897 1.00 37.55 O +ATOM 35 CG2 THR A 150 14.280 1.164 1.926 1.00 24.55 C +ATOM 36 N VAL A 151 12.292 -0.991 5.559 1.00 19.22 N +ATOM 37 CA VAL A 151 11.262 -1.756 6.278 1.00 16.73 C +ATOM 38 C VAL A 151 10.094 -0.851 6.571 1.00 17.63 C +ATOM 39 O VAL A 151 10.258 0.276 7.028 1.00 17.53 O +ATOM 40 CB VAL A 151 11.833 -2.340 7.596 1.00 18.40 C +ATOM 41 CG1 VAL A 151 10.760 -3.013 8.501 1.00 22.45 C +ATOM 42 CG2 VAL A 151 13.021 -3.253 7.265 1.00 20.96 C +ATOM 43 N GLU A 152 8.904 -1.374 6.327 1.00 19.22 N +ATOM 44 CA GLU A 152 7.684 -0.668 6.650 1.00 20.04 C +ATOM 45 C GLU A 152 7.190 -1.072 8.042 1.00 25.99 C +ATOM 46 O GLU A 152 6.984 -2.252 8.315 1.00 24.87 O +ATOM 47 CB GLU A 152 6.588 -0.941 5.624 1.00 25.07 C +ATOM 48 CG GLU A 152 5.422 0.028 5.814 1.00 28.72 C +ATOM 49 CD GLU A 152 4.340 -0.148 4.804 1.00 36.10 C +ATOM 50 OE1 GLU A 152 4.285 0.679 3.865 1.00 25.05 O +ATOM 51 OE2 GLU A 152 3.554 -1.108 4.958 1.00 34.03 O +ATOM 52 N VAL A 153 7.014 -0.073 8.901 1.00 23.90 N +ATOM 53 CA VAL A 153 6.531 -0.259 10.249 1.00 22.98 C +ATOM 54 C VAL A 153 5.243 0.561 10.337 1.00 18.70 C +ATOM 55 O VAL A 153 5.256 1.761 10.050 1.00 24.45 O +ATOM 56 CB VAL A 153 7.573 0.285 11.280 1.00 23.84 C +ATOM 57 CG1 VAL A 153 7.031 0.290 12.709 1.00 25.37 C +ATOM 58 CG2 VAL A 153 8.904 -0.500 11.227 1.00 24.71 C +ATOM 59 N THR A 154 4.150 -0.081 10.765 1.00 19.23 N +ATOM 60 CA THR A 154 2.893 0.588 11.057 1.00 18.83 C +ATOM 61 C THR A 154 2.784 0.790 12.565 1.00 24.84 C +ATOM 62 O THR A 154 2.870 -0.174 13.327 1.00 22.60 O +ATOM 63 CB ATHR A 154 1.675 -0.223 10.590 0.50 22.13 C +ATOM 64 CB BTHR A 154 1.675 -0.211 10.568 0.50 23.74 C +ATOM 65 OG1ATHR A 154 1.755 -0.429 9.176 0.50 17.95 O +ATOM 66 OG1BTHR A 154 1.845 -1.589 10.908 0.50 37.17 O +ATOM 67 CG2ATHR A 154 0.399 0.518 10.912 0.50 13.61 C +ATOM 68 CG2BTHR A 154 1.528 -0.076 9.057 0.50 24.55 C +ATOM 69 N LEU A 155 2.613 2.044 12.971 1.00 22.26 N +ATOM 70 CA LEU A 155 2.414 2.383 14.383 1.00 20.37 C +ATOM 71 C LEU A 155 1.076 3.061 14.602 1.00 21.80 C +ATOM 72 O LEU A 155 0.580 3.783 13.736 1.00 22.06 O +ATOM 73 CB LEU A 155 3.529 3.318 14.869 1.00 19.08 C +ATOM 74 CG LEU A 155 4.966 2.767 14.882 1.00 18.53 C +ATOM 75 CD1 LEU A 155 5.899 3.811 15.437 1.00 22.32 C +ATOM 76 CD2 LEU A 155 5.054 1.496 15.680 1.00 25.96 C +ATOM 77 N HIS A 156 0.524 2.860 15.795 1.00 18.97 N +ATOM 78 CA HIS A 156 -0.694 3.535 16.232 1.00 19.41 C +ATOM 79 C HIS A 156 -0.342 4.524 17.352 1.00 19.90 C +ATOM 80 O HIS A 156 0.089 4.133 18.439 1.00 19.09 O +ATOM 81 CB HIS A 156 -1.746 2.521 16.683 1.00 20.47 C +ATOM 82 CG HIS A 156 -2.114 1.525 15.618 1.00 30.05 C +ATOM 83 ND1 HIS A 156 -3.281 1.608 14.889 1.00 31.43 N +ATOM 84 CD2 HIS A 156 -1.452 0.439 15.145 1.00 35.87 C +ATOM 85 CE1 HIS A 156 -3.331 0.607 14.026 1.00 35.81 C +ATOM 86 NE2 HIS A 156 -2.232 -0.115 14.158 1.00 28.84 N +ATOM 87 N LYS A 157 -0.491 5.807 17.041 1.00 17.42 N +ATOM 88 CA LYS A 157 -0.233 6.870 17.974 1.00 16.58 C +ATOM 89 C LYS A 157 -1.139 6.785 19.186 1.00 13.89 C +ATOM 90 O LYS A 157 -2.321 6.372 19.110 1.00 17.60 O +ATOM 91 CB LYS A 157 -0.426 8.232 17.320 1.00 16.59 C +ATOM 92 CG LYS A 157 0.654 8.575 16.343 1.00 20.76 C +ATOM 93 CD LYS A 157 0.666 10.032 15.981 1.00 22.00 C +ATOM 94 CE LYS A 157 -0.362 10.379 14.969 1.00 23.25 C +ATOM 95 NZ LYS A 157 -0.205 11.759 14.514 1.00 23.35 N +ATOM 96 N GLU A 158 -0.577 7.216 20.314 1.00 14.94 N +ATOM 97 CA GLU A 158 -1.295 7.356 21.584 1.00 18.92 C +ATOM 98 C GLU A 158 -0.969 8.711 22.181 1.00 16.81 C +ATOM 99 O GLU A 158 0.196 9.057 22.299 1.00 16.93 O +ATOM 100 CB GLU A 158 -0.903 6.249 22.564 1.00 17.78 C +ATOM 101 CG AGLU A 158 -1.333 4.853 22.127 0.50 21.74 C +ATOM 102 CG BGLU A 158 -1.348 4.854 22.145 0.50 23.24 C +ATOM 103 CD AGLU A 158 -2.806 4.783 21.826 0.50 15.03 C +ATOM 104 CD BGLU A 158 -0.940 3.799 23.154 0.50 25.53 C +ATOM 105 OE1AGLU A 158 -3.563 5.574 22.432 0.50 14.98 O +ATOM 106 OE1BGLU A 158 -1.167 4.001 24.368 0.50 25.37 O +ATOM 107 OE2AGLU A 158 -3.201 3.967 20.971 0.50 22.92 O +ATOM 108 OE2BGLU A 158 -0.398 2.751 22.746 0.50 21.06 O +ATOM 109 N GLY A 159 -1.985 9.487 22.525 1.00 18.59 N +ATOM 110 CA GLY A 159 -1.754 10.878 22.933 1.00 19.30 C +ATOM 111 C GLY A 159 -1.148 11.677 21.790 1.00 21.26 C +ATOM 112 O GLY A 159 -0.366 12.622 22.012 1.00 15.15 O +ATOM 113 N ASN A 160 -1.511 11.305 20.558 1.00 19.05 N +ATOM 114 CA ASN A 160 -0.873 11.853 19.348 1.00 17.56 C +ATOM 115 C ASN A 160 0.665 11.787 19.321 1.00 17.46 C +ATOM 116 O ASN A 160 1.338 12.657 18.742 1.00 19.24 O +ATOM 117 CB ASN A 160 -1.351 13.271 19.069 1.00 18.19 C +ATOM 118 CG ASN A 160 -1.249 13.640 17.587 1.00 27.20 C +ATOM 119 OD1 ASN A 160 -1.528 12.815 16.714 1.00 24.74 O +ATOM 120 ND2 ASN A 160 -0.872 14.885 17.306 1.00 28.71 N +ATOM 121 N THR A 161 1.216 10.723 19.915 1.00 17.37 N +ATOM 122 CA THR A 161 2.656 10.469 19.906 1.00 16.89 C +ATOM 123 C THR A 161 2.948 9.034 19.469 1.00 15.56 C +ATOM 124 O THR A 161 2.170 8.136 19.705 1.00 17.97 O +ATOM 125 CB ATHR A 161 3.284 10.718 21.303 0.50 18.20 C +ATOM 126 CB BTHR A 161 3.292 10.709 21.297 0.50 18.84 C +ATOM 127 OG1ATHR A 161 2.759 9.781 22.247 0.50 19.50 O +ATOM 128 OG1BTHR A 161 4.670 11.058 21.136 0.50 33.81 O +ATOM 129 CG2ATHR A 161 2.992 12.129 21.771 0.50 10.74 C +ATOM 130 CG2BTHR A 161 3.204 9.470 22.142 0.50 11.22 C +ATOM 131 N PHE A 162 4.082 8.860 18.813 1.00 15.55 N +ATOM 132 CA PHE A 162 4.645 7.571 18.425 1.00 16.49 C +ATOM 133 C PHE A 162 5.598 7.003 19.456 1.00 16.51 C +ATOM 134 O PHE A 162 5.841 5.809 19.454 1.00 19.22 O +ATOM 135 CB PHE A 162 5.422 7.668 17.106 1.00 18.88 C +ATOM 136 CG PHE A 162 4.559 7.855 15.910 1.00 27.22 C +ATOM 137 CD1 PHE A 162 3.740 6.828 15.478 1.00 23.68 C +ATOM 138 CD2 PHE A 162 4.549 9.060 15.224 1.00 20.00 C +ATOM 139 CE1 PHE A 162 2.927 6.997 14.379 1.00 26.93 C +ATOM 140 CE2 PHE A 162 3.746 9.225 14.119 1.00 23.61 C +ATOM 141 CZ PHE A 162 2.944 8.195 13.694 1.00 26.46 C +ATOM 142 N GLY A 163 6.167 7.854 20.319 1.00 17.74 N +ATOM 143 CA GLY A 163 7.075 7.348 21.348 1.00 18.40 C +ATOM 144 C GLY A 163 8.491 7.209 20.869 1.00 17.57 C +ATOM 145 O GLY A 163 9.184 6.275 21.220 1.00 19.04 O +ATOM 146 N PHE A 164 8.946 8.141 20.047 1.00 19.51 N +ATOM 147 CA PHE A 164 10.366 8.130 19.666 1.00 18.69 C +ATOM 148 C PHE A 164 10.828 9.566 19.450 1.00 20.38 C +ATOM 149 O PHE A 164 10.020 10.465 19.427 1.00 18.83 O +ATOM 150 CB PHE A 164 10.693 7.188 18.480 1.00 16.69 C +ATOM 151 CG PHE A 164 10.038 7.517 17.162 1.00 17.39 C +ATOM 152 CD1 PHE A 164 10.526 8.510 16.321 1.00 21.42 C +ATOM 153 CD2 PHE A 164 8.993 6.772 16.701 1.00 22.53 C +ATOM 154 CE1 PHE A 164 9.933 8.774 15.079 1.00 21.52 C +ATOM 155 CE2 PHE A 164 8.425 7.022 15.488 1.00 20.83 C +ATOM 156 CZ PHE A 164 8.875 8.031 14.680 1.00 18.11 C +ATOM 157 N VAL A 165 12.137 9.771 19.392 1.00 16.99 N +ATOM 158 CA VAL A 165 12.721 11.111 19.186 1.00 18.81 C +ATOM 159 C VAL A 165 13.409 11.101 17.832 1.00 16.55 C +ATOM 160 O VAL A 165 14.040 10.088 17.472 1.00 18.27 O +ATOM 161 CB VAL A 165 13.695 11.434 20.298 1.00 18.78 C +ATOM 162 CG1 VAL A 165 14.374 12.805 20.065 1.00 18.85 C +ATOM 163 CG2 VAL A 165 12.989 11.369 21.677 1.00 19.87 C +ATOM 164 N ILE A 166 13.296 12.196 17.068 1.00 18.16 N +ATOM 165 CA ILE A 166 13.996 12.338 15.789 1.00 16.51 C +ATOM 166 C ILE A 166 14.988 13.492 15.812 1.00 19.02 C +ATOM 167 O ILE A 166 14.741 14.507 16.454 1.00 19.06 O +ATOM 168 CB ILE A 166 13.057 12.594 14.584 1.00 20.20 C +ATOM 169 CG1 ILE A 166 12.078 13.752 14.825 1.00 20.92 C +ATOM 170 CG2 ILE A 166 12.329 11.292 14.231 1.00 20.93 C +ATOM 171 CD1 ILE A 166 11.468 14.324 13.517 1.00 21.85 C +ATOM 172 N ARG A 167 16.071 13.338 15.042 1.00 16.78 N +ATOM 173 CA ARG A 167 16.966 14.450 14.758 1.00 16.93 C +ATOM 174 C ARG A 167 17.063 14.542 13.254 1.00 17.96 C +ATOM 175 O ARG A 167 16.712 13.617 12.523 1.00 17.33 O +ATOM 176 CB ARG A 167 18.341 14.234 15.337 1.00 16.16 C +ATOM 177 CG ARG A 167 19.183 13.137 14.665 1.00 17.59 C +ATOM 178 CD ARG A 167 20.635 13.109 15.225 1.00 17.82 C +ATOM 179 NE ARG A 167 21.377 11.967 14.731 1.00 18.10 N +ATOM 180 CZ ARG A 167 21.792 11.837 13.475 1.00 19.69 C +ATOM 181 NH1 ARG A 167 21.588 12.796 12.580 1.00 20.01 N +ATOM 182 NH2 ARG A 167 22.482 10.757 13.113 1.00 19.62 N +ATOM 183 N GLY A 168 17.501 15.671 12.774 1.00 16.47 N +ATOM 184 CA GLY A 168 17.762 15.828 11.350 1.00 17.42 C +ATOM 185 C GLY A 168 16.714 16.559 10.553 1.00 17.52 C +ATOM 186 O GLY A 168 15.708 17.025 11.055 1.00 18.65 O +ATOM 187 N GLY A 169 16.944 16.626 9.254 1.00 16.48 N +ATOM 188 CA GLY A 169 16.107 17.435 8.347 1.00 17.42 C +ATOM 189 C GLY A 169 16.877 18.304 7.360 1.00 20.40 C +ATOM 190 O GLY A 169 18.106 18.529 7.477 1.00 18.29 O +ATOM 191 N ALA A 170 16.140 18.764 6.352 1.00 21.38 N +ATOM 192 CA ALA A 170 16.710 19.561 5.259 1.00 26.69 C +ATOM 193 C ALA A 170 17.000 20.994 5.680 1.00 30.67 C +ATOM 194 O ALA A 170 16.502 21.497 6.688 1.00 29.74 O +ATOM 195 CB ALA A 170 15.787 19.549 4.023 1.00 22.26 C +ATOM 196 N HIS A 171 17.824 21.643 4.870 1.00 37.52 N +ATOM 197 CA HIS A 171 18.195 23.024 5.095 1.00 40.93 C +ATOM 198 C HIS A 171 18.619 23.641 3.765 1.00 37.49 C +ATOM 199 O HIS A 171 19.164 22.947 2.899 1.00 28.37 O +ATOM 200 CB HIS A 171 19.334 23.080 6.113 1.00 42.58 C +ATOM 201 CG HIS A 171 19.454 24.396 6.812 1.00 49.20 C +ATOM 202 ND1 HIS A 171 19.725 25.569 6.143 1.00 51.56 N +ATOM 203 CD2 HIS A 171 19.357 24.723 8.122 1.00 52.29 C +ATOM 204 CE1 HIS A 171 19.776 26.565 7.007 1.00 60.83 C +ATOM 205 NE2 HIS A 171 19.559 26.078 8.216 1.00 67.72 N +ATOM 206 N ASP A 172 18.349 24.935 3.604 1.00 44.08 N +ATOM 207 CA ASP A 172 18.814 25.692 2.441 1.00 49.74 C +ATOM 208 C ASP A 172 20.299 25.396 2.149 1.00 52.02 C +ATOM 209 O ASP A 172 20.692 25.196 0.997 1.00 49.33 O +ATOM 210 CB ASP A 172 18.592 27.195 2.673 1.00 50.70 C +ATOM 211 N ASP A 173 21.104 25.362 3.210 1.00 53.78 N +ATOM 212 CA ASP A 173 22.512 24.966 3.141 1.00 55.24 C +ATOM 213 C ASP A 173 22.654 23.434 3.028 1.00 53.85 C +ATOM 214 O ASP A 173 22.285 22.699 3.951 1.00 54.56 O +ATOM 215 CB ASP A 173 23.235 25.483 4.397 1.00 56.70 C +ATOM 216 CG ASP A 173 24.754 25.387 4.303 1.00 58.76 C +ATOM 217 OD1 ASP A 173 25.293 24.935 3.265 1.00 54.48 O +ATOM 218 OD2 ASP A 173 25.414 25.777 5.292 1.00 59.80 O +ATOM 219 N ARG A 174 23.187 22.964 1.899 1.00 51.79 N +ATOM 220 CA ARG A 174 23.395 21.531 1.661 1.00 52.35 C +ATOM 221 C ARG A 174 24.882 21.186 1.544 1.00 51.98 C +ATOM 222 O ARG A 174 25.620 21.796 0.767 1.00 57.05 O +ATOM 223 CB ARG A 174 22.653 21.086 0.397 1.00 51.72 C +ATOM 224 N SER A 177 21.895 19.937 5.628 1.00 34.78 N +ATOM 225 CA SER A 177 20.896 18.917 5.283 1.00 28.61 C +ATOM 226 C SER A 177 21.323 17.514 5.681 1.00 18.74 C +ATOM 227 O SER A 177 22.253 16.963 5.096 1.00 24.62 O +ATOM 228 CB ASER A 177 20.618 18.945 3.789 0.50 24.70 C +ATOM 229 CB BSER A 177 20.591 18.935 3.788 0.50 25.97 C +ATOM 230 OG ASER A 177 19.676 19.944 3.531 0.50 14.69 O +ATOM 231 OG BSER A 177 19.750 17.842 3.472 0.50 33.45 O +ATOM 232 N ARG A 178 20.630 16.938 6.664 1.00 15.96 N +ATOM 233 CA ARG A 178 20.981 15.649 7.216 1.00 16.52 C +ATOM 234 C ARG A 178 19.759 14.733 7.260 1.00 19.14 C +ATOM 235 O ARG A 178 18.659 15.196 7.477 1.00 17.97 O +ATOM 236 CB ARG A 178 21.501 15.852 8.611 1.00 16.62 C +ATOM 237 CG ARG A 178 22.711 16.770 8.654 1.00 19.55 C +ATOM 238 CD ARG A 178 23.140 16.975 10.108 1.00 16.56 C +ATOM 239 NE ARG A 178 23.939 18.165 10.367 1.00 14.56 N +ATOM 240 CZ ARG A 178 25.254 18.192 10.594 1.00 10.78 C +ATOM 241 NH1 ARG A 178 25.942 17.067 10.666 1.00 10.84 N +ATOM 242 NH2 ARG A 178 25.830 19.315 10.877 1.00 13.63 N +ATOM 243 N PRO A 179 19.939 13.432 7.010 1.00 19.74 N +ATOM 244 CA PRO A 179 18.763 12.560 7.088 1.00 18.49 C +ATOM 245 C PRO A 179 18.103 12.607 8.438 1.00 17.48 C +ATOM 246 O PRO A 179 18.741 12.913 9.464 1.00 18.94 O +ATOM 247 CB PRO A 179 19.347 11.172 6.812 1.00 19.63 C +ATOM 248 CG PRO A 179 20.581 11.438 5.996 1.00 22.22 C +ATOM 249 CD PRO A 179 21.149 12.696 6.604 1.00 23.11 C +ATOM 250 N VAL A 180 16.812 12.282 8.462 1.00 17.50 N +ATOM 251 CA VAL A 180 16.054 12.167 9.684 1.00 17.66 C +ATOM 252 C VAL A 180 16.349 10.813 10.301 1.00 17.08 C +ATOM 253 O VAL A 180 16.275 9.745 9.654 1.00 16.80 O +ATOM 254 CB VAL A 180 14.530 12.333 9.428 1.00 19.13 C +ATOM 255 CG1 VAL A 180 13.753 12.132 10.701 1.00 19.67 C +ATOM 256 CG2 VAL A 180 14.254 13.703 8.804 1.00 17.67 C +ATOM 257 N VAL A 181 16.805 10.840 11.558 1.00 17.24 N +ATOM 258 CA VAL A 181 17.326 9.661 12.240 1.00 15.44 C +ATOM 259 C VAL A 181 16.664 9.553 13.604 1.00 18.60 C +ATOM 260 O VAL A 181 16.534 10.536 14.309 1.00 18.70 O +ATOM 261 CB VAL A 181 18.838 9.751 12.385 1.00 15.96 C +ATOM 262 CG1 VAL A 181 19.387 8.609 13.259 1.00 19.79 C +ATOM 263 CG2 VAL A 181 19.485 9.715 11.014 1.00 19.77 C +ATOM 264 N ILE A 182 16.243 8.352 13.970 1.00 18.64 N +ATOM 265 CA ILE A 182 15.630 8.122 15.276 1.00 21.09 C +ATOM 266 C ILE A 182 16.740 8.045 16.330 1.00 18.75 C +ATOM 267 O ILE A 182 17.755 7.353 16.150 1.00 21.56 O +ATOM 268 CB ILE A 182 14.698 6.892 15.215 1.00 25.34 C +ATOM 269 CG1 ILE A 182 13.432 7.286 14.409 1.00 24.44 C +ATOM 270 CG2 ILE A 182 14.354 6.420 16.666 1.00 23.48 C +ATOM 271 CD1 ILE A 182 12.660 6.172 13.717 1.00 36.26 C +ATOM 272 N THR A 183 16.587 8.834 17.413 1.00 17.63 N +ATOM 273 CA THR A 183 17.625 8.964 18.436 1.00 17.40 C +ATOM 274 C THR A 183 17.282 8.292 19.780 1.00 19.04 C +ATOM 275 O THR A 183 18.167 8.064 20.603 1.00 21.10 O +ATOM 276 CB THR A 183 17.984 10.423 18.751 1.00 18.77 C +ATOM 277 OG1 THR A 183 16.856 11.100 19.324 1.00 20.46 O +ATOM 278 CG2 THR A 183 18.464 11.195 17.491 1.00 19.40 C +ATOM 279 N SER A 184 16.013 7.931 19.969 1.00 19.29 N +ATOM 280 CA SER A 184 15.555 7.409 21.259 1.00 18.11 C +ATOM 281 C SER A 184 14.184 6.823 21.056 1.00 17.96 C +ATOM 282 O SER A 184 13.433 7.339 20.234 1.00 17.31 O +ATOM 283 CB SER A 184 15.460 8.536 22.287 1.00 17.77 C +ATOM 284 OG SER A 184 15.113 8.073 23.584 1.00 20.09 O +ATOM 285 N VAL A 185 13.867 5.767 21.805 1.00 17.82 N +ATOM 286 CA VAL A 185 12.562 5.119 21.779 1.00 18.24 C +ATOM 287 C VAL A 185 12.068 5.048 23.223 1.00 20.93 C +ATOM 288 O VAL A 185 12.784 4.591 24.109 1.00 20.73 O +ATOM 289 CB VAL A 185 12.710 3.747 21.170 1.00 15.58 C +ATOM 290 CG1 VAL A 185 11.393 2.998 21.341 1.00 18.19 C +ATOM 291 CG2 VAL A 185 13.040 3.837 19.687 1.00 18.08 C +ATOM 292 N ARG A 186 10.840 5.507 23.447 1.00 18.10 N +ATOM 293 CA ARG A 186 10.289 5.619 24.795 1.00 17.19 C +ATOM 294 C ARG A 186 9.768 4.269 25.255 1.00 17.94 C +ATOM 295 O ARG A 186 8.898 3.708 24.611 1.00 19.05 O +ATOM 296 CB ARG A 186 9.191 6.684 24.834 1.00 20.97 C +ATOM 297 CG ARG A 186 8.648 6.944 26.208 1.00 31.34 C +ATOM 298 CD AARG A 186 7.707 8.171 26.137 0.50 39.94 C +ATOM 299 CD BARG A 186 8.868 8.341 26.942 0.50 20.68 C +ATOM 300 NE AARG A 186 6.413 7.684 25.588 0.50 37.92 N +ATOM 301 NE BARG A 186 8.941 9.563 26.136 0.50 33.24 N +ATOM 302 CZ AARG A 186 5.606 8.296 24.712 0.50 23.17 C +ATOM 303 CZ BARG A 186 8.195 10.652 26.345 0.50 18.51 C +ATOM 304 NH1AARG A 186 5.888 9.482 24.177 0.50 23.20 N +ATOM 305 NH1BARG A 186 7.289 10.673 27.309 0.50 34.62 N +ATOM 306 NH2AARG A 186 4.481 7.679 24.355 0.50 21.97 N +ATOM 307 NH2BARG A 186 8.331 11.727 25.574 0.50 26.04 N +ATOM 308 N PRO A 187 10.296 3.745 26.372 1.00 19.06 N +ATOM 309 CA PRO A 187 9.801 2.487 26.916 1.00 23.57 C +ATOM 310 C PRO A 187 8.309 2.536 27.119 1.00 23.16 C +ATOM 311 O PRO A 187 7.775 3.525 27.620 1.00 22.28 O +ATOM 312 CB PRO A 187 10.515 2.369 28.255 1.00 24.65 C +ATOM 313 CG PRO A 187 11.736 3.093 28.071 1.00 27.58 C +ATOM 314 CD PRO A 187 11.381 4.272 27.201 1.00 21.71 C +ATOM 315 N GLY A 188 7.637 1.496 26.666 1.00 23.99 N +ATOM 316 CA GLY A 188 6.188 1.384 26.825 1.00 23.11 C +ATOM 317 C GLY A 188 5.340 2.059 25.759 1.00 20.85 C +ATOM 318 O GLY A 188 4.117 1.831 25.702 1.00 21.57 O +ATOM 319 N GLY A 189 5.971 2.895 24.931 1.00 18.88 N +ATOM 320 CA GLY A 189 5.301 3.612 23.864 1.00 18.83 C +ATOM 321 C GLY A 189 4.997 2.783 22.642 1.00 16.30 C +ATOM 322 O GLY A 189 5.365 1.615 22.579 1.00 19.38 O +ATOM 323 N PRO A 190 4.249 3.371 21.698 1.00 20.05 N +ATOM 324 CA PRO A 190 3.864 2.638 20.489 1.00 21.68 C +ATOM 325 C PRO A 190 5.058 2.070 19.741 1.00 18.76 C +ATOM 326 O PRO A 190 5.015 0.891 19.354 1.00 20.82 O +ATOM 327 CB PRO A 190 3.101 3.674 19.661 1.00 17.63 C +ATOM 328 CG PRO A 190 2.605 4.686 20.649 1.00 18.31 C +ATOM 329 CD PRO A 190 3.634 4.719 21.764 1.00 22.24 C +ATOM 330 N ALA A 191 6.121 2.859 19.561 1.00 17.08 N +ATOM 331 CA ALA A 191 7.309 2.335 18.840 1.00 18.89 C +ATOM 332 C ALA A 191 7.987 1.208 19.621 1.00 17.54 C +ATOM 333 O ALA A 191 8.488 0.251 19.003 1.00 19.71 O +ATOM 334 CB ALA A 191 8.294 3.441 18.534 1.00 19.88 C +ATOM 335 N ASP A 192 8.086 1.339 20.945 1.00 18.86 N +ATOM 336 CA ASP A 192 8.708 0.307 21.771 1.00 20.15 C +ATOM 337 C ASP A 192 7.908 -0.987 21.652 1.00 19.79 C +ATOM 338 O ASP A 192 8.458 -2.088 21.511 1.00 20.98 O +ATOM 339 CB ASP A 192 8.748 0.722 23.233 1.00 19.80 C +ATOM 340 CG ASP A 192 9.654 -0.185 24.082 1.00 27.05 C +ATOM 341 OD1 ASP A 192 10.704 -0.654 23.566 1.00 26.95 O +ATOM 342 OD2 ASP A 192 9.329 -0.397 25.276 1.00 24.59 O +ATOM 343 N ARG A 193 6.591 -0.849 21.727 1.00 18.43 N +ATOM 344 CA ARG A 193 5.751 -2.029 21.737 1.00 18.69 C +ATOM 345 C ARG A 193 5.691 -2.694 20.387 1.00 20.13 C +ATOM 346 O ARG A 193 5.584 -3.921 20.335 1.00 24.86 O +ATOM 347 CB ARG A 193 4.356 -1.747 22.311 1.00 20.96 C +ATOM 348 CG ARG A 193 4.232 -2.270 23.739 1.00 37.88 C +ATOM 349 CD ARG A 193 2.870 -2.019 24.319 1.00 40.51 C +ATOM 350 NE ARG A 193 2.727 -0.590 24.481 1.00 30.93 N +ATOM 351 CZ ARG A 193 2.013 0.214 23.702 1.00 20.64 C +ATOM 352 NH1 ARG A 193 2.016 1.495 23.986 1.00 30.69 N +ATOM 353 NH2 ARG A 193 1.265 -0.234 22.694 1.00 40.00 N +ATOM 354 N GLU A 194 5.764 -1.925 19.307 1.00 19.65 N +ATOM 355 CA GLU A 194 5.834 -2.563 17.968 1.00 21.77 C +ATOM 356 C GLU A 194 7.187 -3.278 17.810 1.00 23.10 C +ATOM 357 O GLU A 194 7.253 -4.327 17.206 1.00 24.07 O +ATOM 358 CB GLU A 194 5.526 -1.569 16.844 1.00 22.86 C +ATOM 359 CG GLU A 194 5.378 -2.203 15.470 1.00 21.05 C +ATOM 360 CD GLU A 194 6.714 -2.512 14.806 1.00 28.85 C +ATOM 361 OE1 GLU A 194 7.760 -2.089 15.325 1.00 25.54 O +ATOM 362 OE2 GLU A 194 6.698 -3.207 13.760 1.00 30.78 O +ATOM 363 N GLY A 195 8.258 -2.713 18.353 1.00 21.93 N +ATOM 364 CA GLY A 195 9.526 -3.429 18.606 1.00 20.78 C +ATOM 365 C GLY A 195 10.602 -3.297 17.537 1.00 21.54 C +ATOM 366 O GLY A 195 11.751 -3.621 17.792 1.00 24.25 O +ATOM 367 N THR A 196 10.254 -2.797 16.350 1.00 22.36 N +ATOM 368 CA THR A 196 11.236 -2.750 15.239 1.00 22.65 C +ATOM 369 C THR A 196 12.214 -1.593 15.339 1.00 21.72 C +ATOM 370 O THR A 196 13.428 -1.769 15.244 1.00 21.17 O +ATOM 371 CB THR A 196 10.524 -2.652 13.868 1.00 20.43 C +ATOM 372 OG1 THR A 196 9.560 -3.700 13.745 1.00 24.33 O +ATOM 373 CG2 THR A 196 11.523 -2.757 12.722 1.00 18.74 C +ATOM 374 N ILE A 197 11.685 -0.388 15.536 1.00 21.40 N +ATOM 375 CA ILE A 197 12.507 0.834 15.470 1.00 20.27 C +ATOM 376 C ILE A 197 13.525 0.849 16.615 1.00 19.50 C +ATOM 377 O ILE A 197 13.193 0.610 17.806 1.00 20.13 O +ATOM 378 CB ILE A 197 11.583 2.084 15.578 1.00 19.92 C +ATOM 379 CG1 ILE A 197 10.723 2.191 14.309 1.00 21.39 C +ATOM 380 CG2 ILE A 197 12.396 3.396 15.891 1.00 21.49 C +ATOM 381 CD1 ILE A 197 9.584 3.260 14.346 1.00 18.94 C +ATOM 382 N LYS A 198 14.751 1.230 16.274 1.00 18.51 N +ATOM 383 CA LYS A 198 15.789 1.411 17.209 1.00 19.86 C +ATOM 384 C LYS A 198 16.566 2.700 16.952 1.00 19.42 C +ATOM 385 O LYS A 198 16.670 3.172 15.809 1.00 18.63 O +ATOM 386 CB LYS A 198 16.784 0.258 17.072 1.00 21.31 C +ATOM 387 CG LYS A 198 16.218 -1.087 17.359 1.00 19.58 C +ATOM 388 CD LYS A 198 15.728 -1.188 18.807 1.00 22.41 C +ATOM 389 CE LYS A 198 15.117 -2.526 19.088 1.00 30.23 C +ATOM 390 NZ LYS A 198 14.702 -2.701 20.538 1.00 27.25 N +ATOM 391 N PRO A 199 17.196 3.259 18.009 1.00 17.67 N +ATOM 392 CA PRO A 199 18.058 4.385 17.773 1.00 19.82 C +ATOM 393 C PRO A 199 19.119 4.141 16.696 1.00 21.14 C +ATOM 394 O PRO A 199 19.694 3.023 16.624 1.00 21.74 O +ATOM 395 CB PRO A 199 18.691 4.629 19.137 1.00 21.29 C +ATOM 396 CG PRO A 199 17.748 4.074 20.088 1.00 19.95 C +ATOM 397 CD PRO A 199 17.181 2.880 19.424 1.00 17.57 C +ATOM 398 N GLY A 200 19.235 5.120 15.815 1.00 18.08 N +ATOM 399 CA GLY A 200 20.125 5.075 14.660 1.00 20.50 C +ATOM 400 C GLY A 200 19.442 4.690 13.355 1.00 20.33 C +ATOM 401 O GLY A 200 20.034 4.855 12.252 1.00 22.75 O +ATOM 402 N ASP A 201 18.197 4.219 13.439 1.00 18.72 N +ATOM 403 CA ASP A 201 17.461 3.921 12.196 1.00 20.62 C +ATOM 404 C ASP A 201 17.152 5.205 11.453 1.00 20.66 C +ATOM 405 O ASP A 201 16.880 6.239 12.076 1.00 20.61 O +ATOM 406 CB ASP A 201 16.152 3.180 12.459 1.00 18.53 C +ATOM 407 CG ASP A 201 16.369 1.751 12.999 1.00 18.19 C +ATOM 408 OD1 ASP A 201 17.555 1.296 12.932 1.00 21.31 O +ATOM 409 OD2 ASP A 201 15.368 1.175 13.436 1.00 20.58 O +ATOM 410 N ARG A 202 17.235 5.154 10.132 1.00 18.32 N +ATOM 411 CA ARG A 202 16.864 6.323 9.318 1.00 18.89 C +ATOM 412 C ARG A 202 15.366 6.275 9.012 1.00 21.39 C +ATOM 413 O ARG A 202 14.840 5.198 8.673 1.00 19.12 O +ATOM 414 CB ARG A 202 17.661 6.311 8.029 1.00 21.14 C +ATOM 415 CG ARG A 202 17.529 7.524 7.165 1.00 25.89 C +ATOM 416 CD ARG A 202 18.509 7.455 6.014 1.00 33.56 C +ATOM 417 NE ARG A 202 18.193 8.408 4.951 1.00 55.67 N +ATOM 418 CZ ARG A 202 18.832 8.467 3.783 1.00 75.48 C +ATOM 419 NH1 ARG A 202 19.828 7.624 3.518 1.00 73.82 N +ATOM 420 NH2 ARG A 202 18.476 9.368 2.871 1.00 83.20 N +ATOM 421 N LEU A 203 14.672 7.419 9.127 1.00 18.59 N +ATOM 422 CA LEU A 203 13.245 7.522 8.817 1.00 17.31 C +ATOM 423 C LEU A 203 13.109 8.152 7.420 1.00 16.68 C +ATOM 424 O LEU A 203 13.421 9.324 7.222 1.00 18.54 O +ATOM 425 CB LEU A 203 12.510 8.366 9.849 1.00 17.85 C +ATOM 426 CG LEU A 203 11.002 8.550 9.675 1.00 19.79 C +ATOM 427 CD1 LEU A 203 10.270 7.188 9.618 1.00 18.61 C +ATOM 428 CD2 LEU A 203 10.382 9.482 10.778 1.00 17.20 C +ATOM 429 N LEU A 204 12.696 7.350 6.440 1.00 18.29 N +ATOM 430 CA LEU A 204 12.631 7.800 5.066 1.00 16.81 C +ATOM 431 C LEU A 204 11.320 8.438 4.678 1.00 18.13 C +ATOM 432 O LEU A 204 11.312 9.359 3.867 1.00 19.20 O +ATOM 433 CB LEU A 204 12.825 6.596 4.148 1.00 20.09 C +ATOM 434 CG LEU A 204 14.104 5.785 4.276 1.00 23.60 C +ATOM 435 CD1 LEU A 204 14.036 4.643 3.279 1.00 24.59 C +ATOM 436 CD2 LEU A 204 15.321 6.677 4.016 1.00 28.71 C +ATOM 437 N SER A 205 10.229 7.893 5.193 1.00 15.13 N +ATOM 438 CA ASER A 205 8.898 8.346 4.804 0.33 16.32 C +ATOM 439 CA BSER A 205 8.884 8.273 4.759 0.33 15.97 C +ATOM 440 CA CSER A 205 8.889 8.312 4.784 0.33 16.68 C +ATOM 441 C SER A 205 7.835 8.053 5.859 1.00 19.07 C +ATOM 442 O SER A 205 7.953 7.136 6.689 1.00 18.46 O +ATOM 443 CB ASER A 205 8.481 7.699 3.486 0.33 19.23 C +ATOM 444 CB BSER A 205 8.493 7.463 3.510 0.33 18.24 C +ATOM 445 CB CSER A 205 8.483 7.601 3.487 0.33 19.51 C +ATOM 446 OG ASER A 205 7.944 6.417 3.732 0.33 18.94 O +ATOM 447 OG BSER A 205 9.427 7.631 2.449 0.33 15.79 O +ATOM 448 OG CSER A 205 7.182 7.991 3.073 0.33 20.97 O +ATOM 449 N VAL A 206 6.801 8.880 5.842 1.00 19.38 N +ATOM 450 CA VAL A 206 5.680 8.814 6.755 1.00 19.38 C +ATOM 451 C VAL A 206 4.414 8.864 5.880 1.00 21.30 C +ATOM 452 O VAL A 206 4.145 9.893 5.264 1.00 22.53 O +ATOM 453 CB VAL A 206 5.695 10.049 7.745 1.00 24.27 C +ATOM 454 CG1 VAL A 206 4.416 10.075 8.604 1.00 20.58 C +ATOM 455 CG2 VAL A 206 6.979 10.085 8.606 1.00 20.59 C +ATOM 456 N ASP A 207 3.712 7.735 5.734 1.00 21.98 N +ATOM 457 CA ASP A 207 2.536 7.612 4.840 1.00 23.49 C +ATOM 458 C ASP A 207 2.794 7.983 3.384 1.00 24.76 C +ATOM 459 O ASP A 207 1.954 8.621 2.728 1.00 25.92 O +ATOM 460 CB ASP A 207 1.368 8.444 5.368 1.00 31.60 C +ATOM 461 CG ASP A 207 0.854 7.950 6.691 1.00 35.42 C +ATOM 462 OD1 ASP A 207 0.943 6.729 6.930 1.00 33.77 O +ATOM 463 OD2 ASP A 207 0.328 8.780 7.469 1.00 38.03 O +ATOM 464 N GLY A 208 3.937 7.567 2.865 1.00 25.48 N +ATOM 465 CA GLY A 208 4.291 7.885 1.495 1.00 24.86 C +ATOM 466 C GLY A 208 4.712 9.328 1.298 1.00 26.31 C +ATOM 467 O GLY A 208 4.883 9.775 0.149 1.00 26.61 O +ATOM 468 N ILE A 209 4.863 10.079 2.389 1.00 17.46 N +ATOM 469 CA ILE A 209 5.460 11.382 2.277 1.00 18.11 C +ATOM 470 C ILE A 209 6.929 11.169 2.551 1.00 16.21 C +ATOM 471 O ILE A 209 7.294 10.874 3.676 1.00 17.29 O +ATOM 472 CB ILE A 209 4.840 12.426 3.268 1.00 17.66 C +ATOM 473 CG1 ILE A 209 3.318 12.518 3.090 1.00 23.73 C +ATOM 474 CG2 ILE A 209 5.506 13.771 3.058 1.00 22.02 C +ATOM 475 CD1 ILE A 209 2.582 12.969 4.323 1.00 26.37 C +ATOM 476 N ARG A 210 7.767 11.311 1.516 1.00 18.36 N +ATOM 477 CA ARG A 210 9.220 11.214 1.623 1.00 17.23 C +ATOM 478 C ARG A 210 9.760 12.396 2.453 1.00 18.03 C +ATOM 479 O ARG A 210 9.392 13.567 2.231 1.00 20.48 O +ATOM 480 CB ARG A 210 9.856 11.264 0.241 1.00 18.92 C +ATOM 481 CG ARG A 210 11.356 10.993 0.173 1.00 24.81 C +ATOM 482 CD AARG A 210 11.718 9.494 0.220 0.50 16.72 C +ATOM 483 CD BARG A 210 11.672 9.479 0.168 0.50 38.37 C +ATOM 484 NE AARG A 210 13.162 9.295 0.096 0.50 20.02 N +ATOM 485 NE BARG A 210 10.662 8.657 -0.522 0.50 27.46 N +ATOM 486 CZ AARG A 210 14.037 9.578 1.053 0.50 16.77 C +ATOM 487 CZ BARG A 210 10.458 8.622 -1.838 0.50 37.97 C +ATOM 488 NH1AARG A 210 13.617 10.055 2.216 0.50 13.24 N +ATOM 489 NH1BARG A 210 9.510 7.837 -2.340 0.50 37.24 N +ATOM 490 NH2AARG A 210 15.335 9.384 0.833 0.50 22.89 N +ATOM 491 NH2BARG A 210 11.171 9.372 -2.663 0.50 37.30 N +ATOM 492 N LEU A 211 10.644 12.107 3.411 1.00 15.30 N +ATOM 493 CA LEU A 211 11.276 13.153 4.224 1.00 14.83 C +ATOM 494 C LEU A 211 12.641 13.524 3.661 1.00 25.70 C +ATOM 495 O LEU A 211 13.632 13.681 4.378 1.00 28.33 O +ATOM 496 CB LEU A 211 11.443 12.621 5.645 1.00 14.52 C +ATOM 497 CG LEU A 211 10.209 12.147 6.434 1.00 17.10 C +ATOM 498 CD1 LEU A 211 10.599 11.898 7.928 1.00 16.67 C +ATOM 499 CD2 LEU A 211 9.042 13.097 6.394 1.00 16.24 C +ATOM 500 N LEU A 212 12.728 13.511 2.350 1.00 21.33 N +ATOM 501 CA LEU A 212 13.849 14.085 1.646 1.00 24.71 C +ATOM 502 C LEU A 212 13.401 15.490 1.353 1.00 23.95 C +ATOM 503 O LEU A 212 12.310 15.690 0.811 1.00 28.67 O +ATOM 504 CB LEU A 212 14.079 13.321 0.336 1.00 24.57 C +ATOM 505 CG LEU A 212 15.289 13.744 -0.500 1.00 24.73 C +ATOM 506 CD1 LEU A 212 16.541 13.514 0.315 1.00 24.43 C +ATOM 507 CD2 LEU A 212 15.362 12.978 -1.808 1.00 16.52 C +ATOM 508 N GLY A 213 14.218 16.471 1.709 1.00 25.45 N +ATOM 509 CA GLY A 213 13.908 17.872 1.427 1.00 22.41 C +ATOM 510 C GLY A 213 12.978 18.564 2.419 1.00 22.04 C +ATOM 511 O GLY A 213 12.747 19.751 2.307 1.00 25.65 O +ATOM 512 N THR A 214 12.434 17.812 3.375 1.00 17.41 N +ATOM 513 CA THR A 214 11.631 18.387 4.439 1.00 17.28 C +ATOM 514 C THR A 214 12.522 18.884 5.569 1.00 16.88 C +ATOM 515 O THR A 214 13.462 18.210 5.979 1.00 15.29 O +ATOM 516 CB THR A 214 10.627 17.356 5.036 1.00 17.48 C +ATOM 517 OG1 THR A 214 11.337 16.239 5.551 1.00 18.22 O +ATOM 518 CG2 THR A 214 9.593 16.889 4.008 1.00 16.86 C +ATOM 519 N THR A 215 12.212 20.066 6.086 1.00 15.94 N +ATOM 520 CA THR A 215 12.915 20.584 7.243 1.00 15.60 C +ATOM 521 C THR A 215 12.559 19.751 8.482 1.00 16.09 C +ATOM 522 O THR A 215 11.585 19.000 8.498 1.00 16.93 O +ATOM 523 CB THR A 215 12.550 22.043 7.529 1.00 14.05 C +ATOM 524 OG1 THR A 215 11.183 22.138 7.950 1.00 19.96 O +ATOM 525 CG2 THR A 215 12.794 22.930 6.342 1.00 18.79 C +ATOM 526 N HIS A 216 13.322 19.926 9.561 1.00 17.51 N +ATOM 527 CA HIS A 216 13.005 19.268 10.823 1.00 17.89 C +ATOM 528 C HIS A 216 11.574 19.596 11.254 1.00 16.92 C +ATOM 529 O HIS A 216 10.793 18.708 11.644 1.00 17.79 O +ATOM 530 CB HIS A 216 14.007 19.706 11.897 1.00 17.56 C +ATOM 531 CG HIS A 216 13.852 18.960 13.186 1.00 18.43 C +ATOM 532 ND1 HIS A 216 14.387 17.710 13.376 1.00 16.65 N +ATOM 533 CD2 HIS A 216 13.174 19.262 14.322 1.00 19.58 C +ATOM 534 CE1 HIS A 216 14.076 17.282 14.591 1.00 16.99 C +ATOM 535 NE2 HIS A 216 13.311 18.195 15.176 1.00 18.81 N +ATOM 536 N ALA A 217 11.225 20.877 11.197 1.00 16.77 N +ATOM 537 CA ALA A 217 9.917 21.302 11.625 1.00 17.94 C +ATOM 538 C ALA A 217 8.812 20.687 10.745 1.00 15.45 C +ATOM 539 O ALA A 217 7.759 20.296 11.240 1.00 19.73 O +ATOM 540 CB ALA A 217 9.847 22.818 11.612 1.00 17.70 C +ATOM 541 N GLU A 218 9.067 20.553 9.446 1.00 16.23 N +ATOM 542 CA GLU A 218 8.083 19.934 8.523 1.00 15.62 C +ATOM 543 C GLU A 218 7.927 18.434 8.845 1.00 15.35 C +ATOM 544 O GLU A 218 6.804 17.908 8.855 1.00 18.29 O +ATOM 545 CB GLU A 218 8.485 20.140 7.062 1.00 20.13 C +ATOM 546 CG GLU A 218 8.309 21.587 6.584 1.00 16.08 C +ATOM 547 CD GLU A 218 9.036 21.899 5.269 1.00 17.45 C +ATOM 548 OE1 GLU A 218 9.899 21.123 4.838 1.00 19.50 O +ATOM 549 OE2 GLU A 218 8.733 22.940 4.638 1.00 29.19 O +ATOM 550 N ALA A 219 9.049 17.748 9.083 1.00 16.60 N +ATOM 551 CA ALA A 219 9.006 16.333 9.495 1.00 12.78 C +ATOM 552 C ALA A 219 8.225 16.157 10.786 1.00 16.41 C +ATOM 553 O ALA A 219 7.379 15.267 10.880 1.00 18.50 O +ATOM 554 CB ALA A 219 10.433 15.760 9.639 1.00 20.56 C +ATOM 555 N MET A 220 8.494 17.000 11.798 1.00 17.96 N +ATOM 556 CA MET A 220 7.726 16.944 13.054 1.00 22.38 C +ATOM 557 C MET A 220 6.226 17.157 12.791 1.00 18.85 C +ATOM 558 O MET A 220 5.382 16.414 13.320 1.00 20.79 O +ATOM 559 CB MET A 220 8.311 17.925 14.120 1.00 28.68 C +ATOM 560 CG MET A 220 7.606 19.261 14.285 1.00 38.64 C +ATOM 561 SD MET A 220 6.045 19.157 15.209 1.00 44.99 S +ATOM 562 CE MET A 220 5.086 20.492 14.475 1.00 51.47 C +ATOM 563 N SER A 221 5.877 18.123 11.935 1.00 16.35 N +ATOM 564 CA SER A 221 4.474 18.427 11.635 1.00 17.63 C +ATOM 565 C SER A 221 3.811 17.286 10.888 1.00 17.64 C +ATOM 566 O SER A 221 2.635 16.973 11.108 1.00 21.19 O +ATOM 567 CB SER A 221 4.371 19.722 10.839 1.00 22.72 C +ATOM 568 OG SER A 221 5.032 20.761 11.536 1.00 35.49 O +ATOM 569 N ILE A 222 4.570 16.650 9.995 1.00 18.73 N +ATOM 570 CA ILE A 222 4.080 15.473 9.281 1.00 19.54 C +ATOM 571 C ILE A 222 3.706 14.343 10.241 1.00 13.16 C +ATOM 572 O ILE A 222 2.613 13.738 10.120 1.00 17.45 O +ATOM 573 CB ILE A 222 5.114 14.986 8.211 1.00 19.71 C +ATOM 574 CG1 ILE A 222 5.094 15.960 7.037 1.00 15.66 C +ATOM 575 CG2 ILE A 222 4.797 13.558 7.733 1.00 17.33 C +ATOM 576 CD1 ILE A 222 6.209 15.820 6.065 1.00 19.07 C +ATOM 577 N LEU A 223 4.598 14.085 11.196 1.00 16.91 N +ATOM 578 CA LEU A 223 4.379 13.070 12.234 1.00 17.57 C +ATOM 579 C LEU A 223 3.192 13.439 13.140 1.00 17.34 C +ATOM 580 O LEU A 223 2.416 12.555 13.541 1.00 21.56 O +ATOM 581 CB LEU A 223 5.658 12.848 13.031 1.00 21.21 C +ATOM 582 CG LEU A 223 6.695 12.069 12.206 1.00 19.12 C +ATOM 583 CD1 LEU A 223 8.112 12.361 12.639 1.00 20.70 C +ATOM 584 CD2 LEU A 223 6.382 10.572 12.281 1.00 18.87 C +ATOM 585 N LYS A 224 3.069 14.729 13.447 1.00 19.18 N +ATOM 586 CA LYS A 224 1.946 15.227 14.286 1.00 19.26 C +ATOM 587 C LYS A 224 0.580 15.102 13.614 1.00 27.22 C +ATOM 588 O LYS A 224 -0.418 14.778 14.265 1.00 24.27 O +ATOM 589 CB LYS A 224 2.220 16.682 14.711 1.00 20.26 C +ATOM 590 CG LYS A 224 1.220 17.279 15.700 1.00 24.56 C +ATOM 591 N GLN A 225 0.538 15.320 12.304 1.00 22.05 N +ATOM 592 CA GLN A 225 -0.715 15.433 11.597 1.00 22.63 C +ATOM 593 C GLN A 225 -1.176 14.153 10.911 1.00 21.06 C +ATOM 594 O GLN A 225 -2.288 14.111 10.383 1.00 20.45 O +ATOM 595 CB GLN A 225 -0.646 16.604 10.625 1.00 22.47 C +ATOM 596 CG GLN A 225 -0.560 17.936 11.366 1.00 37.66 C +ATOM 597 CD GLN A 225 -0.196 19.100 10.480 1.00 49.27 C +ATOM 598 OE1 GLN A 225 0.277 20.132 10.963 1.00 58.80 O +ATOM 599 NE2 GLN A 225 -0.417 18.950 9.177 1.00 58.91 N +ATOM 600 N CYS A 226 -0.371 13.096 10.938 1.00 23.27 N +ATOM 601 CA CYS A 226 -0.805 11.885 10.253 1.00 23.26 C +ATOM 602 C CYS A 226 -1.821 11.091 11.096 1.00 21.04 C +ATOM 603 O CYS A 226 -1.955 11.309 12.306 1.00 22.88 O +ATOM 604 CB CYS A 226 0.384 11.031 9.855 1.00 26.01 C +ATOM 605 SG CYS A 226 1.259 10.375 11.224 1.00 25.95 S +ATOM 606 N GLY A 227 -2.577 10.207 10.449 1.00 18.70 N +ATOM 607 CA GLY A 227 -3.596 9.425 11.163 1.00 22.00 C +ATOM 608 C GLY A 227 -2.994 8.603 12.298 1.00 22.03 C +ATOM 609 O GLY A 227 -1.759 8.432 12.366 1.00 19.78 O +ATOM 610 N GLN A 228 -3.858 8.107 13.188 1.00 22.10 N +ATOM 611 CA GLN A 228 -3.429 7.288 14.335 1.00 24.24 C +ATOM 612 C GLN A 228 -2.621 6.066 13.872 1.00 24.23 C +ATOM 613 O GLN A 228 -1.540 5.835 14.385 1.00 26.73 O +ATOM 614 CB GLN A 228 -4.628 6.869 15.209 1.00 30.88 C +ATOM 615 N GLU A 229 -3.148 5.319 12.894 1.00 20.79 N +ATOM 616 CA GLU A 229 -2.388 4.278 12.195 1.00 24.02 C +ATOM 617 C GLU A 229 -1.572 4.918 11.061 1.00 27.03 C +ATOM 618 O GLU A 229 -2.124 5.509 10.134 1.00 27.65 O +ATOM 619 CB GLU A 229 -3.307 3.171 11.657 1.00 31.60 C +ATOM 620 CG GLU A 229 -2.560 1.937 11.108 1.00 32.09 C +ATOM 621 CD GLU A 229 -3.499 0.867 10.561 1.00 39.65 C +ATOM 622 OE1 GLU A 229 -3.027 -0.238 10.209 1.00 47.95 O +ATOM 623 OE2 GLU A 229 -4.714 1.135 10.473 1.00 38.54 O +ATOM 624 N ALA A 230 -0.257 4.779 11.155 1.00 21.82 N +ATOM 625 CA ALA A 230 0.704 5.387 10.212 1.00 19.42 C +ATOM 626 C ALA A 230 1.721 4.338 9.743 1.00 21.31 C +ATOM 627 O ALA A 230 2.217 3.542 10.542 1.00 21.90 O +ATOM 628 CB ALA A 230 1.441 6.564 10.835 1.00 22.72 C +ATOM 629 N ALA A 231 1.994 4.333 8.441 1.00 19.53 N +ATOM 630 CA ALA A 231 3.073 3.520 7.869 1.00 20.10 C +ATOM 631 C ALA A 231 4.350 4.343 7.792 1.00 16.45 C +ATOM 632 O ALA A 231 4.404 5.370 7.120 1.00 22.24 O +ATOM 633 CB ALA A 231 2.670 3.022 6.482 1.00 16.66 C +ATOM 634 N LEU A 232 5.377 3.904 8.506 1.00 17.02 N +ATOM 635 CA LEU A 232 6.671 4.554 8.507 1.00 20.02 C +ATOM 636 C LEU A 232 7.658 3.653 7.750 1.00 25.21 C +ATOM 637 O LEU A 232 7.727 2.460 7.993 1.00 25.60 O +ATOM 638 CB LEU A 232 7.144 4.734 9.941 1.00 20.63 C +ATOM 639 CG LEU A 232 6.162 5.368 10.931 1.00 22.94 C +ATOM 640 CD1 LEU A 232 6.885 5.552 12.265 1.00 24.37 C +ATOM 641 CD2 LEU A 232 5.612 6.702 10.438 1.00 23.62 C +ATOM 642 N LEU A 233 8.406 4.232 6.824 1.00 18.54 N +ATOM 643 CA LEU A 233 9.440 3.499 6.146 1.00 17.40 C +ATOM 644 C LEU A 233 10.761 3.866 6.796 1.00 20.25 C +ATOM 645 O LEU A 233 11.144 5.045 6.813 1.00 18.34 O +ATOM 646 CB LEU A 233 9.474 3.860 4.689 1.00 18.75 C +ATOM 647 CG LEU A 233 10.213 2.905 3.798 1.00 25.92 C +ATOM 648 CD1 LEU A 233 9.421 1.591 3.703 1.00 24.49 C +ATOM 649 CD2 LEU A 233 10.367 3.547 2.431 1.00 27.03 C +ATOM 650 N ILE A 234 11.436 2.878 7.378 1.00 17.87 N +ATOM 651 CA ILE A 234 12.755 3.091 7.961 1.00 17.06 C +ATOM 652 C ILE A 234 13.821 2.278 7.201 1.00 19.34 C +ATOM 653 O ILE A 234 13.521 1.405 6.393 1.00 18.20 O +ATOM 654 CB ILE A 234 12.790 2.713 9.462 1.00 18.98 C +ATOM 655 CG1 ILE A 234 12.476 1.216 9.665 1.00 18.88 C +ATOM 656 CG2 ILE A 234 11.730 3.519 10.253 1.00 19.57 C +ATOM 657 CD1 ILE A 234 12.553 0.733 11.131 1.00 23.95 C +ATOM 658 N GLU A 235 15.080 2.578 7.472 1.00 17.00 N +ATOM 659 CA GLU A 235 16.139 1.955 6.731 1.00 17.14 C +ATOM 660 C GLU A 235 17.233 1.618 7.745 1.00 18.19 C +ATOM 661 O GLU A 235 17.612 2.468 8.584 1.00 19.52 O +ATOM 662 CB GLU A 235 16.623 2.898 5.623 1.00 19.50 C +ATOM 663 CG GLU A 235 17.789 2.387 4.835 1.00 21.69 C +ATOM 664 CD GLU A 235 18.120 3.280 3.652 1.00 26.71 C +ATOM 665 OE1 GLU A 235 18.404 4.470 3.895 1.00 29.78 O +ATOM 666 OE2 GLU A 235 18.136 2.779 2.511 1.00 31.53 O +ATOM 667 N TYR A 236 17.655 0.351 7.726 1.00 17.68 N +ATOM 668 CA TYR A 236 18.759 -0.110 8.585 1.00 18.24 C +ATOM 669 C TYR A 236 19.293 -1.412 8.033 1.00 18.41 C +ATOM 670 O TYR A 236 18.826 -1.906 7.031 1.00 18.02 O +ATOM 671 CB TYR A 236 18.322 -0.264 10.059 1.00 18.92 C +ATOM 672 CG TYR A 236 17.191 -1.281 10.238 1.00 18.75 C +ATOM 673 CD1 TYR A 236 17.474 -2.604 10.589 1.00 19.22 C +ATOM 674 CD2 TYR A 236 15.840 -0.934 10.052 1.00 17.62 C +ATOM 675 CE1 TYR A 236 16.465 -3.515 10.747 1.00 14.95 C +ATOM 676 CE2 TYR A 236 14.818 -1.832 10.234 1.00 21.52 C +ATOM 677 CZ TYR A 236 15.111 -3.152 10.563 1.00 16.49 C +ATOM 678 OH TYR A 236 14.033 -4.032 10.744 1.00 19.42 O +ATOM 679 N ASP A 237 20.307 -1.940 8.699 1.00 16.48 N +ATOM 680 CA ASP A 237 20.943 -3.178 8.252 1.00 18.05 C +ATOM 681 C ASP A 237 20.104 -4.387 8.689 1.00 17.25 C +ATOM 682 O ASP A 237 20.144 -4.783 9.852 1.00 19.26 O +ATOM 683 CB ASP A 237 22.329 -3.262 8.860 1.00 21.13 C +ATOM 684 CG ASP A 237 23.142 -4.408 8.322 1.00 23.74 C +ATOM 685 OD1 ASP A 237 22.699 -5.095 7.368 1.00 25.91 O +ATOM 686 OD2 ASP A 237 24.251 -4.584 8.857 1.00 33.54 O +ATOM 687 N VAL A 238 19.315 -4.922 7.757 1.00 18.06 N +ATOM 688 CA VAL A 238 18.360 -5.984 8.026 1.00 16.32 C +ATOM 689 C VAL A 238 18.961 -7.362 7.712 1.00 19.29 C +ATOM 690 O VAL A 238 19.616 -7.535 6.669 1.00 17.79 O +ATOM 691 CB VAL A 238 17.100 -5.786 7.160 1.00 20.28 C +ATOM 692 CG1 VAL A 238 16.086 -6.929 7.388 1.00 21.80 C +ATOM 693 CG2 VAL A 238 16.442 -4.464 7.441 1.00 21.43 C +ATOM 694 N SER A 239 18.730 -8.316 8.628 1.00 15.35 N +ATOM 695 CA SER A 239 19.006 -9.700 8.460 1.00 14.00 C +ATOM 696 C SER A 239 17.686 -10.362 8.068 1.00 14.96 C +ATOM 697 O SER A 239 16.691 -10.218 8.786 1.00 17.66 O +ATOM 698 CB SER A 239 19.532 -10.341 9.744 1.00 17.33 C +ATOM 699 OG SER A 239 20.807 -9.825 10.116 1.00 21.78 O +ATOM 700 N GLU A 240 17.681 -10.977 6.901 1.00 15.25 N +ATOM 701 CA GLU A 240 16.476 -11.573 6.353 1.00 19.11 C +ATOM 702 C GLU A 240 16.812 -12.861 5.670 1.00 17.74 C +ATOM 703 O GLU A 240 17.742 -12.900 4.840 1.00 17.34 O +ATOM 704 CB GLU A 240 15.862 -10.610 5.358 1.00 22.02 C +ATOM 705 CG GLU A 240 14.512 -11.014 4.874 1.00 33.54 C +ATOM 706 CD GLU A 240 13.769 -9.865 4.263 1.00 37.42 C +ATOM 707 OE1 GLU A 240 14.250 -9.298 3.245 1.00 28.86 O +ATOM 708 OE2 GLU A 240 12.690 -9.544 4.801 1.00 40.34 O +ATOM 709 N THR A 241 16.062 -13.932 5.971 1.00 13.46 N +ATOM 710 CA THR A 241 16.336 -15.278 5.475 1.00 15.11 C +ATOM 711 C THR A 241 15.013 -15.994 5.122 1.00 14.57 C +ATOM 712 O THR A 241 14.023 -15.894 5.885 1.00 14.45 O +ATOM 713 CB THR A 241 17.114 -16.138 6.527 1.00 15.64 C +ATOM 714 OG1 THR A 241 18.316 -15.457 6.916 1.00 14.57 O +ATOM 715 CG2 THR A 241 17.455 -17.485 5.998 1.00 15.74 C +ATOM 716 N ALA A 242 14.957 -16.642 3.966 1.00 10.23 N +ATOM 717 CA ALA A 242 13.856 -17.507 3.666 1.00 8.11 C +ATOM 718 C ALA A 242 13.979 -18.814 4.449 1.00 13.92 C +ATOM 719 O ALA A 242 15.022 -19.480 4.425 1.00 15.79 O +ATOM 720 CB ALA A 242 13.795 -17.741 2.168 1.00 10.21 C +ATOM 721 N VAL A 243 12.886 -19.197 5.120 1.00 16.29 N +ATOM 722 CA VAL A 243 12.858 -20.418 5.911 1.00 14.53 C +ATOM 723 C VAL A 243 11.663 -21.289 5.580 1.00 12.94 C +ATOM 724 O VAL A 243 10.840 -20.974 4.682 1.00 19.92 O +ATOM 725 CB VAL A 243 12.785 -20.094 7.428 1.00 13.57 C +ATOM 726 CG1 VAL A 243 14.065 -19.339 7.882 1.00 15.42 C +ATOM 727 CG2 VAL A 243 11.553 -19.236 7.773 1.00 20.24 C +ATOM 728 OXT VAL A 243 11.505 -22.392 6.154 1.00 23.29 O Added: SwiftApps/modFTdock/input/indata/2jil-2.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2jil-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2jil-2.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,727 @@ +ATOM 1 N SER B -1 20.459 22.567 19.370 1.00 22.79 N +ATOM 2 CA SER B -1 21.447 22.860 20.452 1.00 22.36 C +ATOM 3 C SER B -1 22.696 22.055 20.183 1.00 19.08 C +ATOM 4 O SER B -1 22.616 21.016 19.560 1.00 19.37 O +ATOM 5 CB SER B -1 20.907 22.460 21.831 1.00 24.58 C +ATOM 6 OG SER B -1 19.636 23.026 22.085 1.00 38.50 O +ATOM 7 N MET B 0 23.843 22.484 20.710 1.00 19.22 N +ATOM 8 CA MET B 0 25.033 21.712 20.497 1.00 15.88 C +ATOM 9 C MET B 0 24.837 20.357 21.157 1.00 16.53 C +ATOM 10 O MET B 0 24.380 20.286 22.298 1.00 18.23 O +ATOM 11 CB MET B 0 26.205 22.397 21.169 1.00 18.89 C +ATOM 12 CG AMET B 0 26.988 23.482 20.407 0.50 18.55 C +ATOM 13 CG BMET B 0 27.624 22.143 20.596 0.50 17.84 C +ATOM 14 SD AMET B 0 27.142 23.372 18.626 0.50 28.13 S +ATOM 15 SD BMET B 0 27.850 22.363 18.844 0.50 26.70 S +ATOM 16 CE AMET B 0 28.234 21.956 18.583 0.50 23.10 C +ATOM 17 CE BMET B 0 26.716 23.761 18.730 0.50 11.34 C +ATOM 18 N ARG B 149 25.212 19.298 20.441 1.00 16.69 N +ATOM 19 CA ARG B 149 25.020 17.927 20.927 1.00 15.78 C +ATOM 20 C ARG B 149 26.126 17.048 20.373 1.00 15.95 C +ATOM 21 O ARG B 149 26.601 17.265 19.258 1.00 17.74 O +ATOM 22 CB ARG B 149 23.675 17.445 20.428 1.00 19.18 C +ATOM 23 CG ARG B 149 23.082 16.170 21.015 1.00 18.93 C +ATOM 24 CD ARG B 149 22.123 15.593 20.030 1.00 23.25 C +ATOM 25 NE ARG B 149 21.272 14.480 20.495 1.00 22.83 N +ATOM 26 CZ ARG B 149 21.557 13.181 20.385 1.00 24.24 C +ATOM 27 NH1 ARG B 149 22.752 12.744 19.984 1.00 24.24 N +ATOM 28 NH2 ARG B 149 20.631 12.294 20.710 1.00 21.51 N +ATOM 29 N THR B 150 26.452 16.033 21.183 1.00 16.00 N +ATOM 30 CA THR B 150 27.353 14.969 20.765 1.00 15.99 C +ATOM 31 C THR B 150 26.542 13.854 20.124 1.00 16.93 C +ATOM 32 O THR B 150 25.544 13.382 20.717 1.00 18.18 O +ATOM 33 CB THR B 150 28.164 14.493 21.962 1.00 17.17 C +ATOM 34 OG1 THR B 150 28.926 15.615 22.473 1.00 18.18 O +ATOM 35 CG2 THR B 150 29.100 13.334 21.632 1.00 19.66 C +ATOM 36 N VAL B 151 26.975 13.420 18.943 1.00 16.81 N +ATOM 37 CA VAL B 151 26.230 12.459 18.159 1.00 18.01 C +ATOM 38 C VAL B 151 27.156 11.301 17.774 1.00 18.29 C +ATOM 39 O VAL B 151 28.288 11.514 17.332 1.00 17.91 O +ATOM 40 CB VAL B 151 25.644 13.110 16.871 1.00 18.48 C +ATOM 41 CG1 VAL B 151 24.984 12.037 15.973 1.00 18.89 C +ATOM 42 CG2 VAL B 151 24.657 14.254 17.238 1.00 20.46 C +ATOM 43 N GLU B 152 26.667 10.062 17.922 1.00 17.15 N +ATOM 44 CA GLU B 152 27.430 8.897 17.553 1.00 17.33 C +ATOM 45 C GLU B 152 27.051 8.439 16.138 1.00 19.74 C +ATOM 46 O GLU B 152 25.870 8.221 15.863 1.00 23.23 O +ATOM 47 CB GLU B 152 27.189 7.754 18.542 1.00 22.34 C +ATOM 48 CG GLU B 152 27.954 6.483 18.228 1.00 26.17 C +ATOM 49 CD GLU B 152 27.614 5.367 19.196 1.00 27.84 C +ATOM 50 OE1 GLU B 152 26.783 4.499 18.846 1.00 37.23 O +ATOM 51 OE2 GLU B 152 28.156 5.387 20.314 1.00 35.03 O +ATOM 52 N VAL B 153 28.072 8.321 15.288 1.00 18.16 N +ATOM 53 CA VAL B 153 27.982 7.847 13.905 1.00 22.04 C +ATOM 54 C VAL B 153 28.883 6.610 13.763 1.00 17.91 C +ATOM 55 O VAL B 153 30.097 6.685 14.006 1.00 22.03 O +ATOM 56 CB VAL B 153 28.474 8.938 12.924 1.00 20.11 C +ATOM 57 CG1 VAL B 153 28.539 8.405 11.457 1.00 32.13 C +ATOM 58 CG2 VAL B 153 27.572 10.172 12.939 1.00 26.90 C +ATOM 59 N THR B 154 28.324 5.517 13.230 1.00 20.54 N +ATOM 60 CA THR B 154 29.115 4.332 12.919 1.00 19.75 C +ATOM 61 C THR B 154 29.329 4.245 11.396 1.00 20.13 C +ATOM 62 O THR B 154 28.371 4.287 10.637 1.00 20.96 O +ATOM 63 CB THR B 154 28.444 3.013 13.448 1.00 22.48 C +ATOM 64 OG1 THR B 154 28.290 3.070 14.882 1.00 22.62 O +ATOM 65 CG2 THR B 154 29.274 1.773 13.039 1.00 23.05 C +ATOM 66 N LEU B 155 30.587 4.198 10.986 1.00 19.19 N +ATOM 67 CA LEU B 155 30.958 4.087 9.568 1.00 18.64 C +ATOM 68 C LEU B 155 31.704 2.781 9.323 1.00 21.48 C +ATOM 69 O LEU B 155 32.454 2.287 10.158 1.00 17.96 O +ATOM 70 CB LEU B 155 31.858 5.243 9.134 1.00 19.95 C +ATOM 71 CG LEU B 155 31.332 6.672 9.267 1.00 20.07 C +ATOM 72 CD1 LEU B 155 32.334 7.663 8.668 1.00 20.75 C +ATOM 73 CD2 LEU B 155 29.957 6.834 8.660 1.00 25.23 C +ATOM 74 N HIS B 156 31.536 2.239 8.129 1.00 22.22 N +ATOM 75 CA HIS B 156 32.295 1.066 7.730 1.00 19.68 C +ATOM 76 C HIS B 156 33.236 1.503 6.611 1.00 27.56 C +ATOM 77 O HIS B 156 32.775 1.994 5.580 1.00 22.18 O +ATOM 78 CB HIS B 156 31.348 -0.043 7.254 1.00 28.48 C +ATOM 79 CG HIS B 156 30.309 -0.420 8.265 1.00 34.51 C +ATOM 80 ND1 HIS B 156 30.379 -1.582 9.003 1.00 36.83 N +ATOM 81 CD2 HIS B 156 29.176 0.213 8.663 1.00 33.07 C +ATOM 82 CE1 HIS B 156 29.336 -1.644 9.815 1.00 48.06 C +ATOM 83 NE2 HIS B 156 28.594 -0.565 9.632 1.00 35.73 N +ATOM 84 N LYS B 157 34.542 1.366 6.846 1.00 24.31 N +ATOM 85 CA LYS B 157 35.544 1.858 5.916 1.00 28.92 C +ATOM 86 C LYS B 157 35.474 1.082 4.615 1.00 29.16 C +ATOM 87 O LYS B 157 35.278 -0.152 4.600 1.00 31.30 O +ATOM 88 CB LYS B 157 36.966 1.711 6.476 1.00 25.42 C +ATOM 89 CG LYS B 157 37.322 2.591 7.667 1.00 35.85 C +ATOM 90 CD LYS B 157 38.564 2.030 8.376 1.00 45.38 C +ATOM 91 CE LYS B 157 39.484 3.110 8.911 1.00 26.10 C +ATOM 92 NZ LYS B 157 40.785 2.566 9.438 1.00 25.33 N +ATOM 93 N GLU B 158 35.650 1.811 3.516 1.00 34.71 N +ATOM 94 CA GLU B 158 36.000 1.206 2.228 1.00 32.45 C +ATOM 95 C GLU B 158 37.497 1.422 2.053 1.00 32.29 C +ATOM 96 O GLU B 158 37.958 2.573 2.043 1.00 27.74 O +ATOM 97 CB GLU B 158 35.278 1.905 1.077 1.00 39.61 C +ATOM 98 CG GLU B 158 33.770 1.881 1.126 1.00 26.01 C +ATOM 99 CD GLU B 158 33.172 2.486 -0.140 1.00 37.56 C +ATOM 100 N GLY B 159 38.251 0.330 1.931 1.00 29.04 N +ATOM 101 CA GLY B 159 39.695 0.408 1.734 1.00 31.76 C +ATOM 102 C GLY B 159 40.400 1.280 2.755 1.00 33.43 C +ATOM 103 O GLY B 159 41.192 2.161 2.399 1.00 35.46 O +ATOM 104 N ASN B 160 40.085 1.047 4.026 1.00 35.08 N +ATOM 105 CA ASN B 160 40.682 1.781 5.157 1.00 36.40 C +ATOM 106 C ASN B 160 40.509 3.318 5.175 1.00 32.99 C +ATOM 107 O ASN B 160 41.174 4.010 5.962 1.00 33.95 O +ATOM 108 CB ASN B 160 42.173 1.421 5.302 1.00 38.04 C +ATOM 109 CG ASN B 160 42.669 1.545 6.745 1.00 34.21 C +ATOM 110 OD1 ASN B 160 42.058 1.001 7.672 1.00 36.71 O +ATOM 111 ND2 ASN B 160 43.783 2.256 6.936 1.00 28.01 N +ATOM 112 N THR B 161 39.618 3.847 4.335 1.00 31.99 N +ATOM 113 CA THR B 161 39.276 5.277 4.348 1.00 29.74 C +ATOM 114 C THR B 161 37.798 5.458 4.706 1.00 24.36 C +ATOM 115 O THR B 161 36.959 4.611 4.385 1.00 24.87 O +ATOM 116 CB ATHR B 161 39.553 5.957 2.992 0.50 32.34 C +ATOM 117 CB BTHR B 161 39.560 5.926 2.970 0.50 31.98 C +ATOM 118 OG1ATHR B 161 38.494 5.663 2.071 0.50 38.39 O +ATOM 119 OG1BTHR B 161 39.654 7.345 3.109 0.50 27.12 O +ATOM 120 CG2ATHR B 161 40.877 5.480 2.422 0.50 35.18 C +ATOM 121 CG2BTHR B 161 38.465 5.595 1.963 0.50 35.82 C +ATOM 122 N PHE B 162 37.478 6.570 5.356 1.00 19.83 N +ATOM 123 CA PHE B 162 36.109 6.902 5.703 1.00 19.66 C +ATOM 124 C PHE B 162 35.471 7.869 4.684 1.00 19.07 C +ATOM 125 O PHE B 162 34.265 8.047 4.702 1.00 18.58 O +ATOM 126 CB PHE B 162 36.033 7.528 7.087 1.00 20.76 C +ATOM 127 CG PHE B 162 36.238 6.571 8.239 1.00 28.34 C +ATOM 128 CD1 PHE B 162 35.252 5.659 8.588 1.00 29.54 C +ATOM 129 CD2 PHE B 162 37.395 6.638 9.019 1.00 24.64 C +ATOM 130 CE1 PHE B 162 35.429 4.797 9.666 1.00 34.60 C +ATOM 131 CE2 PHE B 162 37.571 5.798 10.106 1.00 30.05 C +ATOM 132 CZ PHE B 162 36.586 4.875 10.433 1.00 29.52 C +ATOM 133 N GLY B 163 36.264 8.554 3.857 1.00 19.07 N +ATOM 134 CA GLY B 163 35.715 9.454 2.852 1.00 19.45 C +ATOM 135 C GLY B 163 35.339 10.816 3.426 1.00 17.56 C +ATOM 136 O GLY B 163 34.299 11.382 3.090 1.00 19.89 O +ATOM 137 N PHE B 164 36.201 11.364 4.279 1.00 19.05 N +ATOM 138 CA PHE B 164 36.076 12.745 4.686 1.00 17.12 C +ATOM 139 C PHE B 164 37.475 13.340 4.939 1.00 19.78 C +ATOM 140 O PHE B 164 38.475 12.605 4.994 1.00 17.94 O +ATOM 141 CB PHE B 164 35.107 12.946 5.871 1.00 18.48 C +ATOM 142 CG PHE B 164 35.498 12.250 7.169 1.00 19.40 C +ATOM 143 CD1 PHE B 164 36.388 12.836 8.047 1.00 18.62 C +ATOM 144 CD2 PHE B 164 34.904 11.071 7.541 1.00 20.42 C +ATOM 145 CE1 PHE B 164 36.700 12.234 9.264 1.00 22.58 C +ATOM 146 CE2 PHE B 164 35.237 10.443 8.738 1.00 19.87 C +ATOM 147 CZ PHE B 164 36.135 11.029 9.600 1.00 18.35 C +ATOM 148 N VAL B 165 37.529 14.669 5.003 1.00 19.02 N +ATOM 149 CA VAL B 165 38.774 15.402 5.198 1.00 18.94 C +ATOM 150 C VAL B 165 38.713 16.037 6.565 1.00 19.77 C +ATOM 151 O VAL B 165 37.668 16.512 6.966 1.00 17.75 O +ATOM 152 CB VAL B 165 38.963 16.516 4.137 1.00 19.32 C +ATOM 153 CG1 VAL B 165 40.251 17.275 4.395 1.00 22.23 C +ATOM 154 CG2 VAL B 165 38.944 15.920 2.724 1.00 17.20 C +ATOM 155 N ILE B 166 39.837 16.014 7.276 1.00 17.45 N +ATOM 156 CA ILE B 166 39.959 16.706 8.580 1.00 18.07 C +ATOM 157 C ILE B 166 41.036 17.777 8.547 1.00 20.49 C +ATOM 158 O ILE B 166 42.077 17.625 7.885 1.00 17.98 O +ATOM 159 CB ILE B 166 40.280 15.755 9.744 1.00 18.24 C +ATOM 160 CG1 ILE B 166 41.506 14.875 9.508 1.00 20.43 C +ATOM 161 CG2 ILE B 166 39.031 14.882 10.122 1.00 18.22 C +ATOM 162 CD1 ILE B 166 42.125 14.356 10.765 1.00 19.73 C +ATOM 163 N ARG B 167 40.770 18.859 9.280 1.00 16.92 N +ATOM 164 CA ARG B 167 41.832 19.774 9.708 1.00 16.75 C +ATOM 165 C ARG B 167 41.937 19.761 11.225 1.00 18.43 C +ATOM 166 O ARG B 167 41.024 19.325 11.929 1.00 17.94 O +ATOM 167 CB ARG B 167 41.589 21.185 9.165 1.00 15.39 C +ATOM 168 CG ARG B 167 40.332 21.845 9.738 1.00 19.54 C +ATOM 169 CD ARG B 167 40.155 23.250 9.162 1.00 21.48 C +ATOM 170 NE ARG B 167 38.920 23.910 9.592 1.00 26.36 N +ATOM 171 CZ ARG B 167 38.724 24.390 10.813 1.00 26.65 C +ATOM 172 NH1 ARG B 167 39.673 24.313 11.715 1.00 33.15 N +ATOM 173 NH2 ARG B 167 37.584 24.978 11.142 1.00 23.56 N +ATOM 174 N GLY B 168 43.070 20.239 11.727 1.00 15.39 N +ATOM 175 CA GLY B 168 43.174 20.535 13.136 1.00 17.07 C +ATOM 176 C GLY B 168 44.112 19.636 13.858 1.00 21.87 C +ATOM 177 O GLY B 168 44.679 18.727 13.268 1.00 19.34 O +ATOM 178 N GLY B 169 44.231 19.899 15.153 1.00 18.04 N +ATOM 179 CA GLY B 169 45.082 19.118 16.023 1.00 17.82 C +ATOM 180 C GLY B 169 45.873 19.919 17.032 1.00 20.61 C +ATOM 181 O GLY B 169 45.930 21.148 16.990 1.00 18.24 O +ATOM 182 N ALA B 170 46.491 19.205 17.959 1.00 18.18 N +ATOM 183 CA ALA B 170 47.251 19.823 19.035 1.00 21.60 C +ATOM 184 C ALA B 170 48.568 20.363 18.534 1.00 21.26 C +ATOM 185 O ALA B 170 49.132 19.864 17.561 1.00 21.54 O +ATOM 186 CB ALA B 170 47.484 18.827 20.179 1.00 24.01 C +ATOM 187 N HIS B 171 49.044 21.406 19.202 1.00 22.38 N +ATOM 188 CA HIS B 171 50.321 22.008 18.882 1.00 29.59 C +ATOM 189 C HIS B 171 51.234 21.952 20.103 1.00 31.32 C +ATOM 190 O HIS B 171 50.763 21.759 21.228 1.00 28.84 O +ATOM 191 CB HIS B 171 50.094 23.445 18.405 1.00 32.37 C +ATOM 192 CG HIS B 171 51.343 24.126 17.957 1.00 46.16 C +ATOM 193 ND1 HIS B 171 52.173 23.592 16.995 1.00 60.24 N +ATOM 194 CD2 HIS B 171 51.920 25.283 18.357 1.00 62.32 C +ATOM 195 CE1 HIS B 171 53.205 24.398 16.816 1.00 64.02 C +ATOM 196 NE2 HIS B 171 53.075 25.430 17.631 1.00 53.29 N +ATOM 197 N ASP B 172 52.539 22.090 19.864 1.00 37.02 N +ATOM 198 CA ASP B 172 53.523 22.165 20.940 1.00 41.86 C +ATOM 199 C ASP B 172 53.057 23.187 21.982 1.00 40.30 C +ATOM 200 O ASP B 172 52.987 22.873 23.174 1.00 40.38 O +ATOM 201 CB ASP B 172 54.907 22.510 20.379 1.00 42.89 C +ATOM 202 N ASP B 173 52.697 24.384 21.509 1.00 41.30 N +ATOM 203 CA ASP B 173 52.015 25.401 22.325 1.00 42.74 C +ATOM 204 C ASP B 173 50.525 25.069 22.489 1.00 43.11 C +ATOM 205 O ASP B 173 49.722 25.339 21.593 1.00 42.86 O +ATOM 206 CB ASP B 173 52.168 26.787 21.681 1.00 45.17 C +ATOM 207 CG ASP B 173 51.703 27.926 22.590 1.00 52.37 C +ATOM 208 OD1 ASP B 173 51.298 27.664 23.746 1.00 43.98 O +ATOM 209 OD2 ASP B 173 51.742 29.094 22.133 1.00 53.32 O +ATOM 210 N ARG B 174 50.173 24.502 23.644 1.00 40.24 N +ATOM 211 CA ARG B 174 48.819 24.003 23.926 1.00 42.75 C +ATOM 212 C ARG B 174 47.685 25.013 23.682 1.00 41.66 C +ATOM 213 O ARG B 174 46.578 24.626 23.282 1.00 31.93 O +ATOM 214 CB ARG B 174 48.750 23.489 25.368 1.00 46.16 C +ATOM 215 CG ARG B 174 47.430 22.828 25.740 1.00 50.86 C +ATOM 216 CD ARG B 174 47.566 22.065 27.044 1.00 62.68 C +ATOM 217 NE ARG B 174 46.275 21.823 27.685 1.00 64.73 N +ATOM 218 CZ ARG B 174 46.124 21.269 28.887 1.00 71.54 C +ATOM 219 NH1 ARG B 174 47.186 20.885 29.599 1.00 72.19 N +ATOM 220 NH2 ARG B 174 44.904 21.097 29.382 1.00 73.83 N +ATOM 221 N ASN B 175 47.953 26.299 23.918 1.00 42.07 N +ATOM 222 CA ASN B 175 46.957 27.347 23.651 1.00 41.96 C +ATOM 223 C ASN B 175 46.665 27.488 22.145 1.00 36.59 C +ATOM 224 O ASN B 175 45.582 27.934 21.753 1.00 42.06 O +ATOM 225 CB ASN B 175 47.404 28.688 24.251 1.00 40.74 C +ATOM 226 CG ASN B 175 47.410 28.678 25.772 1.00 42.79 C +ATOM 227 N LYS B 176 47.626 27.070 21.319 1.00 27.45 N +ATOM 228 CA LYS B 176 47.529 27.173 19.854 1.00 33.63 C +ATOM 229 C LYS B 176 47.014 25.887 19.167 1.00 28.79 C +ATOM 230 O LYS B 176 46.949 25.794 17.944 1.00 23.63 O +ATOM 231 CB LYS B 176 48.881 27.545 19.274 1.00 33.60 C +ATOM 232 CG LYS B 176 49.524 28.737 19.955 1.00 40.15 C +ATOM 233 N SER B 177 46.658 24.902 19.972 1.00 28.47 N +ATOM 234 CA SER B 177 45.984 23.727 19.472 1.00 19.93 C +ATOM 235 C SER B 177 44.652 24.131 18.858 1.00 20.58 C +ATOM 236 O SER B 177 44.021 25.042 19.376 1.00 20.88 O +ATOM 237 CB SER B 177 45.791 22.783 20.642 1.00 21.79 C +ATOM 238 OG SER B 177 47.084 22.449 21.128 1.00 25.01 O +ATOM 239 N ARG B 178 44.218 23.458 17.784 1.00 15.62 N +ATOM 240 CA ARG B 178 42.889 23.697 17.235 1.00 15.70 C +ATOM 241 C ARG B 178 42.103 22.423 17.153 1.00 18.96 C +ATOM 242 O ARG B 178 42.687 21.337 17.004 1.00 15.96 O +ATOM 243 CB ARG B 178 42.976 24.299 15.842 1.00 16.54 C +ATOM 244 CG ARG B 178 43.748 25.625 15.796 1.00 18.50 C +ATOM 245 CD ARG B 178 43.965 26.122 14.388 1.00 18.38 C +ATOM 246 NE ARG B 178 45.081 27.048 14.195 1.00 15.43 N +ATOM 247 CZ ARG B 178 44.972 28.361 13.917 1.00 14.22 C +ATOM 248 NH1 ARG B 178 43.768 28.948 13.803 1.00 15.46 N +ATOM 249 NH2 ARG B 178 46.040 29.049 13.733 1.00 16.58 N +ATOM 250 N PRO B 179 40.775 22.525 17.253 1.00 18.35 N +ATOM 251 CA PRO B 179 39.923 21.370 17.223 1.00 19.32 C +ATOM 252 C PRO B 179 40.057 20.629 15.914 1.00 16.92 C +ATOM 253 O PRO B 179 40.312 21.232 14.847 1.00 16.00 O +ATOM 254 CB PRO B 179 38.504 21.963 17.329 1.00 23.64 C +ATOM 255 CG PRO B 179 38.686 23.200 18.037 1.00 29.84 C +ATOM 256 CD PRO B 179 39.973 23.746 17.495 1.00 22.85 C +ATOM 257 N VAL B 180 39.841 19.318 15.988 1.00 17.70 N +ATOM 258 CA VAL B 180 39.744 18.510 14.763 1.00 17.48 C +ATOM 259 C VAL B 180 38.353 18.690 14.152 1.00 18.52 C +ATOM 260 O VAL B 180 37.339 18.414 14.798 1.00 17.33 O +ATOM 261 CB VAL B 180 40.042 17.039 15.051 1.00 18.28 C +ATOM 262 CG1 VAL B 180 39.948 16.234 13.758 1.00 21.22 C +ATOM 263 CG2 VAL B 180 41.411 16.865 15.725 1.00 18.75 C +ATOM 264 N VAL B 181 38.315 19.223 12.937 1.00 17.84 N +ATOM 265 CA VAL B 181 37.070 19.598 12.255 1.00 17.28 C +ATOM 266 C VAL B 181 37.032 18.912 10.871 1.00 18.99 C +ATOM 267 O VAL B 181 38.049 18.883 10.141 1.00 19.33 O +ATOM 268 CB VAL B 181 37.013 21.115 12.077 1.00 18.67 C +ATOM 269 CG1 VAL B 181 35.836 21.557 11.254 1.00 20.54 C +ATOM 270 CG2 VAL B 181 36.925 21.745 13.466 1.00 19.59 C +ATOM 271 N ILE B 182 35.850 18.393 10.522 1.00 19.62 N +ATOM 272 CA ILE B 182 35.630 17.782 9.216 1.00 17.99 C +ATOM 273 C ILE B 182 35.332 18.891 8.204 1.00 20.01 C +ATOM 274 O ILE B 182 34.470 19.735 8.448 1.00 23.89 O +ATOM 275 CB ILE B 182 34.447 16.767 9.302 1.00 21.54 C +ATOM 276 CG1 ILE B 182 34.860 15.614 10.245 1.00 21.14 C +ATOM 277 CG2 ILE B 182 34.113 16.285 7.912 1.00 20.58 C +ATOM 278 CD1 ILE B 182 33.805 14.535 10.633 1.00 25.28 C +ATOM 279 N THR B 183 36.073 18.928 7.079 1.00 17.70 N +ATOM 280 CA THR B 183 36.041 20.051 6.157 1.00 20.55 C +ATOM 281 C THR B 183 35.364 19.708 4.832 1.00 23.72 C +ATOM 282 O THR B 183 34.997 20.601 4.079 1.00 22.16 O +ATOM 283 CB THR B 183 37.452 20.572 5.859 1.00 22.24 C +ATOM 284 OG1 THR B 183 38.180 19.580 5.138 1.00 23.23 O +ATOM 285 CG2 THR B 183 38.210 20.938 7.143 1.00 23.89 C +ATOM 286 N SER B 184 35.153 18.413 4.583 1.00 20.06 N +ATOM 287 CA SER B 184 34.592 17.949 3.327 1.00 18.32 C +ATOM 288 C SER B 184 34.232 16.466 3.418 1.00 15.17 C +ATOM 289 O SER B 184 34.824 15.704 4.201 1.00 15.55 O +ATOM 290 CB SER B 184 35.537 18.218 2.157 1.00 18.99 C +ATOM 291 OG SER B 184 34.982 17.817 0.916 1.00 18.16 O +ATOM 292 N VAL B 185 33.222 16.081 2.635 1.00 16.61 N +ATOM 293 CA VAL B 185 32.753 14.693 2.627 1.00 17.50 C +ATOM 294 C VAL B 185 32.752 14.250 1.194 1.00 18.82 C +ATOM 295 O VAL B 185 32.144 14.892 0.398 1.00 19.86 O +ATOM 296 CB VAL B 185 31.385 14.612 3.246 1.00 17.65 C +ATOM 297 CG1 VAL B 185 30.780 13.204 3.077 1.00 19.73 C +ATOM 298 CG2 VAL B 185 31.503 15.015 4.717 1.00 19.51 C +ATOM 299 N ARG B 186 33.436 13.153 0.900 1.00 17.15 N +ATOM 300 CA ARG B 186 33.585 12.647 -0.467 1.00 20.73 C +ATOM 301 C ARG B 186 32.286 11.990 -0.938 1.00 20.22 C +ATOM 302 O ARG B 186 31.823 11.045 -0.293 1.00 17.24 O +ATOM 303 CB ARG B 186 34.709 11.595 -0.500 1.00 20.81 C +ATOM 304 CG ARG B 186 35.094 11.070 -1.876 1.00 29.81 C +ATOM 305 CD AARG B 186 36.304 10.112 -1.727 0.50 30.77 C +ATOM 306 CD BARG B 186 36.310 10.158 -1.876 0.50 29.98 C +ATOM 307 NE AARG B 186 35.938 8.806 -1.152 0.50 28.44 N +ATOM 308 NE BARG B 186 36.142 8.896 -1.157 0.50 23.49 N +ATOM 309 CZ AARG B 186 36.715 8.038 -0.374 0.50 16.93 C +ATOM 310 CZ BARG B 186 35.318 7.905 -1.499 0.50 12.74 C +ATOM 311 NH1AARG B 186 37.941 8.405 -0.017 0.50 20.31 N +ATOM 312 NH1BARG B 186 34.499 7.991 -2.548 0.50 17.53 N +ATOM 313 NH2AARG B 186 36.250 6.876 0.068 0.50 25.33 N +ATOM 314 NH2BARG B 186 35.294 6.804 -0.755 0.50 32.63 N +ATOM 315 N PRO B 187 31.693 12.466 -2.061 1.00 19.35 N +ATOM 316 CA PRO B 187 30.482 11.833 -2.524 1.00 18.37 C +ATOM 317 C PRO B 187 30.656 10.331 -2.753 1.00 16.29 C +ATOM 318 O PRO B 187 31.664 9.877 -3.316 1.00 19.06 O +ATOM 319 CB PRO B 187 30.166 12.572 -3.857 1.00 17.66 C +ATOM 320 CG PRO B 187 30.852 13.886 -3.707 1.00 26.45 C +ATOM 321 CD PRO B 187 32.074 13.610 -2.908 1.00 19.67 C +ATOM 322 N GLY B 188 29.655 9.575 -2.303 1.00 19.87 N +ATOM 323 CA GLY B 188 29.638 8.124 -2.454 1.00 20.04 C +ATOM 324 C GLY B 188 30.506 7.346 -1.475 1.00 21.40 C +ATOM 325 O GLY B 188 30.514 6.118 -1.504 1.00 22.25 O +ATOM 326 N GLY B 189 31.256 8.052 -0.632 1.00 16.36 N +ATOM 327 CA GLY B 189 32.101 7.414 0.368 1.00 18.29 C +ATOM 328 C GLY B 189 31.294 6.984 1.589 1.00 19.06 C +ATOM 329 O GLY B 189 30.088 7.302 1.693 1.00 17.51 O +ATOM 330 N PRO B 190 31.950 6.265 2.526 1.00 15.22 N +ATOM 331 CA PRO B 190 31.286 5.811 3.743 1.00 15.58 C +ATOM 332 C PRO B 190 30.553 6.904 4.507 1.00 17.32 C +ATOM 333 O PRO B 190 29.396 6.716 4.914 1.00 17.07 O +ATOM 334 CB PRO B 190 32.456 5.275 4.589 1.00 19.65 C +ATOM 335 CG PRO B 190 33.395 4.747 3.591 1.00 14.68 C +ATOM 336 CD PRO B 190 33.325 5.732 2.440 1.00 15.46 C +ATOM 337 N ALA B 191 31.213 8.040 4.681 1.00 16.42 N +ATOM 338 CA ALA B 191 30.615 9.125 5.412 1.00 14.27 C +ATOM 339 C ALA B 191 29.405 9.705 4.665 1.00 16.51 C +ATOM 340 O ALA B 191 28.388 10.008 5.281 1.00 17.04 O +ATOM 341 CB ALA B 191 31.660 10.247 5.758 1.00 16.48 C +ATOM 342 N ASP B 192 29.547 9.891 3.352 1.00 15.92 N +ATOM 343 CA ASP B 192 28.427 10.356 2.535 1.00 18.07 C +ATOM 344 C ASP B 192 27.270 9.377 2.629 1.00 15.08 C +ATOM 345 O ASP B 192 26.109 9.782 2.767 1.00 19.20 O +ATOM 346 CB ASP B 192 28.848 10.604 1.089 1.00 18.39 C +ATOM 347 CG ASP B 192 27.762 11.288 0.253 1.00 18.35 C +ATOM 348 OD1 ASP B 192 27.142 12.243 0.766 1.00 24.41 O +ATOM 349 OD2 ASP B 192 27.535 10.862 -0.901 1.00 24.14 O +ATOM 350 N ARG B 193 27.570 8.098 2.509 1.00 17.81 N +ATOM 351 CA ARG B 193 26.492 7.071 2.538 1.00 15.70 C +ATOM 352 C ARG B 193 25.703 7.039 3.850 1.00 16.87 C +ATOM 353 O ARG B 193 24.480 6.824 3.831 1.00 20.43 O +ATOM 354 CB ARG B 193 27.065 5.684 2.197 1.00 18.25 C +ATOM 355 CG ARG B 193 27.295 5.526 0.684 1.00 22.45 C +ATOM 356 CD ARG B 193 27.771 4.139 0.236 1.00 29.79 C +ATOM 357 NE ARG B 193 29.182 3.905 0.571 1.00 32.62 N +ATOM 358 CZ ARG B 193 29.621 3.099 1.539 1.00 34.80 C +ATOM 359 NH1 ARG B 193 28.782 2.405 2.301 1.00 54.27 N +ATOM 360 NH2 ARG B 193 30.921 2.982 1.749 1.00 38.20 N +ATOM 361 N GLU B 194 26.377 7.206 4.970 1.00 16.67 N +ATOM 362 CA GLU B 194 25.686 7.235 6.249 1.00 18.67 C +ATOM 363 C GLU B 194 24.892 8.540 6.427 1.00 17.66 C +ATOM 364 O GLU B 194 23.796 8.544 6.990 1.00 24.27 O +ATOM 365 CB GLU B 194 26.661 6.939 7.380 1.00 19.56 C +ATOM 366 CG GLU B 194 26.009 6.752 8.744 1.00 21.76 C +ATOM 367 CD GLU B 194 25.619 8.062 9.397 1.00 29.73 C +ATOM 368 OE1 GLU B 194 26.197 9.092 9.053 1.00 20.16 O +ATOM 369 OE2 GLU B 194 24.737 8.080 10.271 1.00 27.68 O +ATOM 370 N GLY B 195 25.435 9.640 5.898 1.00 20.00 N +ATOM 371 CA GLY B 195 24.700 10.873 5.646 1.00 18.86 C +ATOM 372 C GLY B 195 24.698 11.931 6.741 1.00 19.53 C +ATOM 373 O GLY B 195 24.267 13.048 6.492 1.00 22.73 O +ATOM 374 N THR B 196 25.199 11.603 7.943 1.00 18.95 N +ATOM 375 CA THR B 196 25.109 12.545 9.074 1.00 19.57 C +ATOM 376 C THR B 196 26.156 13.618 9.013 1.00 20.74 C +ATOM 377 O THR B 196 25.849 14.780 9.232 1.00 22.58 O +ATOM 378 CB THR B 196 25.250 11.843 10.428 1.00 18.50 C +ATOM 379 OG1 THR B 196 24.252 10.800 10.501 1.00 21.54 O +ATOM 380 CG2 THR B 196 25.100 12.824 11.611 1.00 20.94 C +ATOM 381 N ILE B 197 27.404 13.184 8.805 1.00 19.62 N +ATOM 382 CA ILE B 197 28.587 14.058 8.906 1.00 19.72 C +ATOM 383 C ILE B 197 28.531 15.125 7.813 1.00 19.95 C +ATOM 384 O ILE B 197 28.249 14.829 6.651 1.00 19.34 O +ATOM 385 CB ILE B 197 29.914 13.235 8.756 1.00 20.62 C +ATOM 386 CG1 ILE B 197 30.125 12.376 9.998 1.00 21.33 C +ATOM 387 CG2 ILE B 197 31.133 14.185 8.483 1.00 19.83 C +ATOM 388 CD1 ILE B 197 31.191 11.316 9.911 1.00 21.69 C +ATOM 389 N LYS B 198 28.836 16.361 8.196 1.00 18.95 N +ATOM 390 CA LYS B 198 28.838 17.513 7.301 1.00 17.59 C +ATOM 391 C LYS B 198 30.055 18.369 7.599 1.00 19.19 C +ATOM 392 O LYS B 198 30.543 18.378 8.718 1.00 18.54 O +ATOM 393 CB LYS B 198 27.569 18.350 7.499 1.00 18.90 C +ATOM 394 CG LYS B 198 26.255 17.656 7.151 1.00 19.37 C +ATOM 395 CD LYS B 198 26.035 17.377 5.671 1.00 20.99 C +ATOM 396 CE LYS B 198 25.109 16.198 5.451 1.00 29.24 C +ATOM 397 NZ LYS B 198 24.775 15.999 3.977 1.00 24.57 N +ATOM 398 N PRO B 199 30.534 19.104 6.583 1.00 18.12 N +ATOM 399 CA PRO B 199 31.595 20.055 6.823 1.00 18.76 C +ATOM 400 C PRO B 199 31.259 20.986 7.972 1.00 20.58 C +ATOM 401 O PRO B 199 30.124 21.482 8.079 1.00 20.80 O +ATOM 402 CB PRO B 199 31.660 20.822 5.512 1.00 20.85 C +ATOM 403 CG PRO B 199 31.147 19.881 4.491 1.00 23.38 C +ATOM 404 CD PRO B 199 30.113 19.067 5.173 1.00 19.42 C +ATOM 405 N GLY B 200 32.233 21.138 8.856 1.00 19.20 N +ATOM 406 CA GLY B 200 32.113 21.970 10.027 1.00 18.35 C +ATOM 407 C GLY B 200 31.926 21.208 11.313 1.00 21.56 C +ATOM 408 O GLY B 200 32.054 21.777 12.414 1.00 22.31 O +ATOM 409 N ASP B 201 31.561 19.933 11.217 1.00 17.06 N +ATOM 410 CA ASP B 201 31.316 19.103 12.387 1.00 18.49 C +ATOM 411 C ASP B 201 32.645 18.878 13.098 1.00 18.56 C +ATOM 412 O ASP B 201 33.654 18.632 12.455 1.00 19.04 O +ATOM 413 CB ASP B 201 30.654 17.753 11.992 1.00 17.77 C +ATOM 414 CG ASP B 201 29.205 17.904 11.490 1.00 17.04 C +ATOM 415 OD1 ASP B 201 28.671 19.039 11.569 1.00 20.97 O +ATOM 416 OD2 ASP B 201 28.646 16.894 11.018 1.00 19.85 O +ATOM 417 N ARG B 202 32.627 18.886 14.436 1.00 19.29 N +ATOM 418 CA ARG B 202 33.813 18.688 15.261 1.00 19.27 C +ATOM 419 C ARG B 202 33.918 17.197 15.505 1.00 21.37 C +ATOM 420 O ARG B 202 32.918 16.572 15.824 1.00 20.87 O +ATOM 421 CB ARG B 202 33.697 19.375 16.619 1.00 21.16 C +ATOM 422 CG ARG B 202 35.063 19.437 17.374 1.00 28.22 C +ATOM 423 CD ARG B 202 35.111 20.421 18.571 1.00 33.25 C +ATOM 424 NE ARG B 202 34.662 21.780 18.234 1.00 33.69 N +ATOM 425 CZ ARG B 202 34.768 22.829 19.043 1.00 46.50 C +ATOM 426 NH1 ARG B 202 35.323 22.703 20.249 1.00 51.51 N +ATOM 427 NH2 ARG B 202 34.317 24.014 18.642 1.00 43.95 N +ATOM 428 N LEU B 203 35.110 16.624 15.346 1.00 18.47 N +ATOM 429 CA LEU B 203 35.322 15.190 15.588 1.00 17.42 C +ATOM 430 C LEU B 203 35.943 15.013 16.974 1.00 17.86 C +ATOM 431 O LEU B 203 37.061 15.466 17.206 1.00 18.78 O +ATOM 432 CB LEU B 203 36.221 14.562 14.508 1.00 17.61 C +ATOM 433 CG LEU B 203 36.533 13.082 14.645 1.00 18.43 C +ATOM 434 CD1 LEU B 203 35.218 12.287 14.641 1.00 16.82 C +ATOM 435 CD2 LEU B 203 37.437 12.649 13.500 1.00 21.57 C +ATOM 436 N LEU B 204 35.206 14.384 17.898 1.00 17.07 N +ATOM 437 CA LEU B 204 35.646 14.265 19.285 1.00 16.16 C +ATOM 438 C LEU B 204 36.349 12.958 19.619 1.00 15.86 C +ATOM 439 O LEU B 204 37.259 12.922 20.430 1.00 15.79 O +ATOM 440 CB LEU B 204 34.445 14.413 20.237 1.00 15.88 C +ATOM 441 CG LEU B 204 33.573 15.658 20.108 1.00 18.42 C +ATOM 442 CD1 LEU B 204 32.431 15.666 21.126 1.00 20.93 C +ATOM 443 CD2 LEU B 204 34.460 16.840 20.370 1.00 23.06 C +ATOM 444 N SER B 205 35.880 11.865 19.030 1.00 16.62 N +ATOM 445 CA SER B 205 36.384 10.542 19.389 1.00 15.56 C +ATOM 446 C SER B 205 36.262 9.584 18.221 1.00 16.81 C +ATOM 447 O SER B 205 35.351 9.711 17.410 1.00 17.58 O +ATOM 448 CB SER B 205 35.558 10.024 20.565 1.00 16.43 C +ATOM 449 OG SER B 205 35.955 8.752 20.985 1.00 24.36 O +ATOM 450 N VAL B 206 37.201 8.643 18.150 1.00 18.77 N +ATOM 451 CA VAL B 206 37.230 7.607 17.110 1.00 19.26 C +ATOM 452 C VAL B 206 37.432 6.261 17.813 1.00 18.89 C +ATOM 453 O VAL B 206 38.483 6.023 18.424 1.00 15.92 O +ATOM 454 CB VAL B 206 38.408 7.830 16.170 1.00 17.82 C +ATOM 455 CG1 VAL B 206 38.483 6.683 15.060 1.00 17.84 C +ATOM 456 CG2 VAL B 206 38.350 9.204 15.568 1.00 17.41 C +ATOM 457 N ASP B 207 36.443 5.380 17.750 1.00 17.25 N +ATOM 458 CA ASP B 207 36.562 4.069 18.390 1.00 23.74 C +ATOM 459 C ASP B 207 36.795 4.165 19.897 1.00 23.43 C +ATOM 460 O ASP B 207 37.504 3.341 20.484 1.00 24.16 O +ATOM 461 CB ASP B 207 37.734 3.271 17.762 1.00 25.42 C +ATOM 462 CG ASP B 207 37.267 2.181 16.841 1.00 44.26 C +ATOM 463 OD1 ASP B 207 36.211 2.380 16.206 1.00 50.71 O +ATOM 464 OD2 ASP B 207 37.968 1.139 16.759 1.00 32.40 O +ATOM 465 N GLY B 208 36.203 5.162 20.518 1.00 19.00 N +ATOM 466 CA GLY B 208 36.410 5.407 21.925 1.00 17.37 C +ATOM 467 C GLY B 208 37.747 6.040 22.272 1.00 14.21 C +ATOM 468 O GLY B 208 38.081 6.189 23.443 1.00 17.04 O +ATOM 469 N ILE B 209 38.518 6.420 21.263 1.00 14.10 N +ATOM 470 CA ILE B 209 39.800 7.090 21.456 1.00 15.86 C +ATOM 471 C ILE B 209 39.559 8.600 21.299 1.00 16.52 C +ATOM 472 O ILE B 209 39.234 9.075 20.178 1.00 15.27 O +ATOM 473 CB ILE B 209 40.854 6.618 20.422 1.00 15.38 C +ATOM 474 CG1 ILE B 209 40.904 5.083 20.391 1.00 20.33 C +ATOM 475 CG2 ILE B 209 42.188 7.203 20.758 1.00 15.89 C +ATOM 476 CD1 ILE B 209 41.545 4.560 19.147 1.00 25.72 C +ATOM 477 N ARG B 210 39.679 9.338 22.412 1.00 14.96 N +ATOM 478 CA ARG B 210 39.472 10.790 22.343 1.00 15.95 C +ATOM 479 C ARG B 210 40.573 11.473 21.560 1.00 15.16 C +ATOM 480 O ARG B 210 41.759 11.187 21.752 1.00 20.41 O +ATOM 481 CB ARG B 210 39.425 11.373 23.742 1.00 16.60 C +ATOM 482 CG ARG B 210 38.188 10.957 24.470 1.00 21.10 C +ATOM 483 CD ARG B 210 36.979 11.802 24.056 1.00 24.59 C +ATOM 484 NE ARG B 210 35.731 11.139 24.414 1.00 28.40 N +ATOM 485 CZ ARG B 210 34.536 11.740 24.515 1.00 26.56 C +ATOM 486 NH1 ARG B 210 34.384 13.064 24.311 1.00 22.57 N +ATOM 487 NH2 ARG B 210 33.476 11.004 24.857 1.00 30.16 N +ATOM 488 N LEU B 211 40.167 12.412 20.703 1.00 14.96 N +ATOM 489 CA LEU B 211 41.128 13.156 19.906 1.00 16.70 C +ATOM 490 C LEU B 211 41.734 14.383 20.593 1.00 20.98 C +ATOM 491 O LEU B 211 42.667 15.021 20.067 1.00 27.53 O +ATOM 492 CB LEU B 211 40.546 13.513 18.550 1.00 17.31 C +ATOM 493 CG LEU B 211 40.192 12.363 17.606 1.00 16.87 C +ATOM 494 CD1 LEU B 211 39.865 12.905 16.199 1.00 19.21 C +ATOM 495 CD2 LEU B 211 41.373 11.370 17.539 1.00 16.70 C +ATOM 496 N LEU B 212 41.249 14.654 21.786 1.00 22.91 N +ATOM 497 CA LEU B 212 41.818 15.633 22.681 1.00 25.82 C +ATOM 498 C LEU B 212 43.317 15.437 22.911 1.00 19.41 C +ATOM 499 O LEU B 212 43.787 14.380 23.380 1.00 25.20 O +ATOM 500 CB LEU B 212 41.056 15.571 24.005 1.00 23.37 C +ATOM 501 CG LEU B 212 41.345 16.658 25.028 1.00 32.27 C +ATOM 502 CD1 LEU B 212 40.118 16.987 25.856 1.00 43.44 C +ATOM 503 CD2 LEU B 212 42.489 16.230 25.902 1.00 31.97 C +ATOM 504 N GLY B 213 44.087 16.474 22.601 1.00 21.01 N +ATOM 505 CA GLY B 213 45.509 16.447 22.815 1.00 18.01 C +ATOM 506 C GLY B 213 46.321 15.683 21.777 1.00 19.88 C +ATOM 507 O GLY B 213 47.506 15.442 21.972 1.00 20.27 O +ATOM 508 N THR B 214 45.693 15.262 20.696 1.00 20.52 N +ATOM 509 CA THR B 214 46.424 14.586 19.598 1.00 16.39 C +ATOM 510 C THR B 214 46.878 15.607 18.556 1.00 17.97 C +ATOM 511 O THR B 214 46.054 16.450 18.183 1.00 17.52 O +ATOM 512 CB THR B 214 45.499 13.587 18.920 1.00 18.91 C +ATOM 513 OG1 THR B 214 44.267 14.224 18.555 1.00 20.71 O +ATOM 514 CG2 THR B 214 45.206 12.454 19.865 1.00 19.11 C +ATOM 515 N THR B 215 48.121 15.531 18.076 1.00 16.66 N +ATOM 516 CA THR B 215 48.537 16.322 16.915 1.00 15.29 C +ATOM 517 C THR B 215 47.759 15.902 15.694 1.00 18.37 C +ATOM 518 O THR B 215 47.089 14.881 15.692 1.00 18.25 O +ATOM 519 CB THR B 215 50.004 16.143 16.565 1.00 15.43 C +ATOM 520 OG1 THR B 215 50.211 14.797 16.102 1.00 18.32 O +ATOM 521 CG2 THR B 215 50.882 16.447 17.771 1.00 19.81 C +ATOM 522 N HIS B 216 47.846 16.700 14.640 1.00 15.28 N +ATOM 523 CA HIS B 216 47.153 16.349 13.413 1.00 16.98 C +ATOM 524 C HIS B 216 47.551 14.950 12.963 1.00 16.76 C +ATOM 525 O HIS B 216 46.707 14.130 12.604 1.00 15.90 O +ATOM 526 CB HIS B 216 47.436 17.380 12.320 1.00 16.38 C +ATOM 527 CG HIS B 216 46.653 17.146 11.065 1.00 17.61 C +ATOM 528 ND1 HIS B 216 45.332 17.520 10.925 1.00 15.77 N +ATOM 529 CD2 HIS B 216 47.002 16.552 9.903 1.00 16.45 C +ATOM 530 CE1 HIS B 216 44.918 17.191 9.713 1.00 19.05 C +ATOM 531 NE2 HIS B 216 45.910 16.593 9.076 1.00 20.96 N +ATOM 532 N ALA B 217 48.858 14.702 12.930 1.00 15.23 N +ATOM 533 CA ALA B 217 49.374 13.403 12.484 1.00 15.28 C +ATOM 534 C ALA B 217 48.855 12.263 13.328 1.00 16.15 C +ATOM 535 O ALA B 217 48.553 11.192 12.804 1.00 18.22 O +ATOM 536 CB ALA B 217 50.880 13.407 12.506 1.00 15.42 C +ATOM 537 N GLU B 218 48.753 12.504 14.646 1.00 14.79 N +ATOM 538 CA GLU B 218 48.283 11.497 15.602 1.00 12.67 C +ATOM 539 C GLU B 218 46.819 11.217 15.361 1.00 19.13 C +ATOM 540 O GLU B 218 46.375 10.083 15.430 1.00 16.61 O +ATOM 541 CB GLU B 218 48.511 11.933 17.059 1.00 19.26 C +ATOM 542 CG GLU B 218 49.958 11.798 17.493 1.00 18.74 C +ATOM 543 CD GLU B 218 50.248 12.382 18.866 1.00 31.51 C +ATOM 544 OE1 GLU B 218 49.719 13.460 19.207 1.00 22.74 O +ATOM 545 OE2 GLU B 218 50.999 11.748 19.632 1.00 23.57 O +ATOM 546 N ALA B 219 46.052 12.261 15.048 1.00 18.25 N +ATOM 547 CA ALA B 219 44.613 12.078 14.748 1.00 17.90 C +ATOM 548 C ALA B 219 44.379 11.286 13.467 1.00 18.51 C +ATOM 549 O ALA B 219 43.596 10.339 13.408 1.00 17.83 O +ATOM 550 CB ALA B 219 43.915 13.439 14.641 1.00 19.62 C +ATOM 551 N MET B 220 45.085 11.673 12.417 1.00 17.10 N +ATOM 552 CA MET B 220 44.993 10.994 11.159 1.00 18.86 C +ATOM 553 C MET B 220 45.416 9.535 11.344 1.00 18.42 C +ATOM 554 O MET B 220 44.807 8.624 10.772 1.00 18.27 O +ATOM 555 CB MET B 220 45.831 11.777 10.123 1.00 23.46 C +ATOM 556 CG MET B 220 46.140 11.070 8.832 1.00 37.08 C +ATOM 557 SD MET B 220 47.601 10.015 8.924 1.00 35.70 S +ATOM 558 CE MET B 220 48.963 11.158 9.231 1.00 37.20 C +ATOM 559 N SER B 221 46.471 9.305 12.143 1.00 17.88 N +ATOM 560 CA SER B 221 46.954 7.944 12.422 1.00 18.76 C +ATOM 561 C SER B 221 45.873 7.131 13.109 1.00 11.60 C +ATOM 562 O SER B 221 45.643 5.973 12.791 1.00 14.81 O +ATOM 563 CB ASER B 221 48.227 7.988 13.286 0.50 19.35 C +ATOM 564 CB BSER B 221 48.188 7.979 13.329 0.50 20.02 C +ATOM 565 OG ASER B 221 49.334 8.558 12.579 0.50 13.57 O +ATOM 566 OG BSER B 221 48.489 6.691 13.842 0.50 29.15 O +ATOM 567 N ILE B 222 45.223 7.722 14.092 1.00 13.79 N +ATOM 568 CA ILE B 222 44.176 7.006 14.830 1.00 12.07 C +ATOM 569 C ILE B 222 43.031 6.578 13.909 1.00 15.85 C +ATOM 570 O ILE B 222 42.547 5.467 14.001 1.00 17.91 O +ATOM 571 CB ILE B 222 43.631 7.894 15.993 1.00 16.57 C +ATOM 572 CG1 ILE B 222 44.642 7.904 17.161 1.00 13.91 C +ATOM 573 CG2 ILE B 222 42.223 7.429 16.435 1.00 16.02 C +ATOM 574 CD1 ILE B 222 44.496 9.059 18.122 1.00 20.28 C +ATOM 575 N LEU B 223 42.606 7.464 13.019 1.00 15.15 N +ATOM 576 CA LEU B 223 41.625 7.116 11.995 1.00 14.26 C +ATOM 577 C LEU B 223 42.132 6.034 11.019 1.00 15.79 C +ATOM 578 O LEU B 223 41.352 5.198 10.582 1.00 17.91 O +ATOM 579 CB LEU B 223 41.238 8.365 11.198 1.00 15.36 C +ATOM 580 CG LEU B 223 40.345 9.320 11.998 1.00 20.05 C +ATOM 581 CD1 LEU B 223 40.556 10.748 11.573 1.00 20.04 C +ATOM 582 CD2 LEU B 223 38.854 8.932 11.861 1.00 19.41 C +ATOM 583 N LYS B 224 43.415 6.079 10.661 1.00 14.72 N +ATOM 584 CA LYS B 224 43.982 5.125 9.694 1.00 16.68 C +ATOM 585 C LYS B 224 44.078 3.755 10.315 1.00 18.21 C +ATOM 586 O LYS B 224 43.869 2.729 9.633 1.00 26.00 O +ATOM 587 CB LYS B 224 45.381 5.564 9.226 1.00 20.86 C +ATOM 588 CG LYS B 224 46.026 4.626 8.220 1.00 34.41 C +ATOM 589 N GLN B 225 44.442 3.730 11.599 1.00 18.02 N +ATOM 590 CA GLN B 225 44.750 2.520 12.330 1.00 18.64 C +ATOM 591 C GLN B 225 43.538 1.873 12.980 1.00 19.41 C +ATOM 592 O GLN B 225 43.649 0.773 13.470 1.00 21.74 O +ATOM 593 CB GLN B 225 45.791 2.807 13.413 1.00 16.17 C +ATOM 594 CG GLN B 225 47.182 3.152 12.914 1.00 19.37 C +ATOM 595 N CYS B 226 42.384 2.530 13.013 1.00 21.99 N +ATOM 596 CA CYS B 226 41.260 1.948 13.755 1.00 25.40 C +ATOM 597 C CYS B 226 40.592 0.803 12.967 1.00 32.09 C +ATOM 598 O CYS B 226 40.943 0.543 11.811 1.00 29.74 O +ATOM 599 CB CYS B 226 40.254 3.013 14.228 1.00 22.81 C +ATOM 600 SG CYS B 226 39.278 3.818 12.968 1.00 25.87 S +ATOM 601 N GLY B 227 39.658 0.108 13.616 1.00 34.92 N +ATOM 602 CA GLY B 227 38.919 -0.983 12.981 1.00 41.97 C +ATOM 603 C GLY B 227 38.113 -0.532 11.771 1.00 43.94 C +ATOM 604 O GLY B 227 37.749 0.647 11.656 1.00 46.17 O +ATOM 605 N GLN B 228 37.822 -1.478 10.875 1.00 41.51 N +ATOM 606 CA GLN B 228 37.079 -1.177 9.646 1.00 40.89 C +ATOM 607 C GLN B 228 35.634 -0.735 9.929 1.00 36.70 C +ATOM 608 O GLN B 228 35.101 0.073 9.173 1.00 36.22 O +ATOM 609 CB GLN B 228 37.120 -2.351 8.658 1.00 39.38 C +ATOM 610 CG GLN B 228 38.534 -2.763 8.220 1.00 41.94 C +ATOM 611 CD GLN B 228 39.279 -1.689 7.425 1.00 51.79 C +ATOM 612 OE1 GLN B 228 39.014 -1.481 6.234 1.00 49.83 O +ATOM 613 NE2 GLN B 228 40.245 -1.030 8.072 1.00 35.89 N +ATOM 614 N GLU B 229 35.010 -1.271 10.992 1.00 29.29 N +ATOM 615 CA GLU B 229 33.742 -0.725 11.525 1.00 26.33 C +ATOM 616 C GLU B 229 34.085 0.145 12.730 1.00 26.89 C +ATOM 617 O GLU B 229 34.656 -0.366 13.688 1.00 30.03 O +ATOM 618 CB GLU B 229 32.773 -1.831 11.979 1.00 26.30 C +ATOM 619 CG GLU B 229 31.483 -1.260 12.592 1.00 23.68 C +ATOM 620 CD GLU B 229 30.543 -2.291 13.194 1.00 42.72 C +ATOM 621 OE1 GLU B 229 30.785 -3.501 13.024 1.00 49.34 O +ATOM 622 OE2 GLU B 229 29.546 -1.876 13.832 1.00 44.65 O +ATOM 623 N ALA B 230 33.716 1.433 12.705 1.00 25.26 N +ATOM 624 CA ALA B 230 34.107 2.383 13.765 1.00 22.02 C +ATOM 625 C ALA B 230 32.985 3.326 14.165 1.00 22.78 C +ATOM 626 O ALA B 230 32.260 3.823 13.323 1.00 26.05 O +ATOM 627 CB ALA B 230 35.312 3.214 13.327 1.00 23.33 C +ATOM 628 N ALA B 231 32.879 3.574 15.470 1.00 25.75 N +ATOM 629 CA ALA B 231 31.957 4.536 16.041 1.00 22.17 C +ATOM 630 C ALA B 231 32.702 5.857 16.202 1.00 21.09 C +ATOM 631 O ALA B 231 33.753 5.935 16.842 1.00 20.65 O +ATOM 632 CB ALA B 231 31.424 4.049 17.419 1.00 22.47 C +ATOM 633 N LEU B 232 32.189 6.884 15.567 1.00 18.03 N +ATOM 634 CA LEU B 232 32.767 8.213 15.700 1.00 18.08 C +ATOM 635 C LEU B 232 31.829 9.067 16.547 1.00 21.96 C +ATOM 636 O LEU B 232 30.603 8.999 16.401 1.00 21.82 O +ATOM 637 CB LEU B 232 32.895 8.872 14.340 1.00 22.12 C +ATOM 638 CG LEU B 232 33.717 8.104 13.314 1.00 21.49 C +ATOM 639 CD1 LEU B 232 33.711 8.958 12.043 1.00 20.73 C +ATOM 640 CD2 LEU B 232 35.122 7.784 13.771 1.00 27.67 C +ATOM 641 N LEU B 233 32.393 9.901 17.415 1.00 18.00 N +ATOM 642 CA LEU B 233 31.579 10.912 18.113 1.00 16.91 C +ATOM 643 C LEU B 233 31.868 12.274 17.522 1.00 16.84 C +ATOM 644 O LEU B 233 33.031 12.700 17.478 1.00 18.14 O +ATOM 645 CB LEU B 233 31.831 10.981 19.628 1.00 17.91 C +ATOM 646 CG LEU B 233 31.356 9.807 20.464 1.00 21.61 C +ATOM 647 CD1 LEU B 233 31.702 10.006 21.960 1.00 18.05 C +ATOM 648 CD2 LEU B 233 29.876 9.536 20.352 1.00 23.02 C +ATOM 649 N ILE B 234 30.814 12.918 17.020 1.00 18.45 N +ATOM 650 CA ILE B 234 30.930 14.254 16.423 1.00 18.26 C +ATOM 651 C ILE B 234 30.066 15.217 17.222 1.00 16.75 C +ATOM 652 O ILE B 234 29.237 14.822 18.017 1.00 18.33 O +ATOM 653 CB ILE B 234 30.538 14.304 14.921 1.00 19.53 C +ATOM 654 CG1 ILE B 234 29.100 13.837 14.711 1.00 20.06 C +ATOM 655 CG2 ILE B 234 31.499 13.471 14.124 1.00 20.18 C +ATOM 656 CD1 ILE B 234 28.631 13.925 13.243 1.00 21.09 C +ATOM 657 N GLU B 235 30.288 16.502 16.998 1.00 17.92 N +ATOM 658 CA GLU B 235 29.558 17.539 17.720 1.00 18.50 C +ATOM 659 C GLU B 235 29.127 18.649 16.771 1.00 19.63 C +ATOM 660 O GLU B 235 29.927 19.140 16.015 1.00 19.01 O +ATOM 661 CB GLU B 235 30.471 18.108 18.787 1.00 21.80 C +ATOM 662 CG GLU B 235 29.949 19.185 19.607 1.00 23.71 C +ATOM 663 CD GLU B 235 30.909 19.505 20.701 1.00 24.78 C +ATOM 664 OE1 GLU B 235 31.965 20.090 20.392 1.00 23.48 O +ATOM 665 OE2 GLU B 235 30.664 19.113 21.840 1.00 24.77 O +ATOM 666 N TYR B 236 27.858 19.004 16.817 1.00 18.64 N +ATOM 667 CA TYR B 236 27.308 20.022 15.979 1.00 17.78 C +ATOM 668 C TYR B 236 25.947 20.455 16.527 1.00 18.18 C +ATOM 669 O TYR B 236 25.499 19.958 17.556 1.00 16.76 O +ATOM 670 CB TYR B 236 27.210 19.568 14.529 1.00 17.12 C +ATOM 671 CG TYR B 236 26.285 18.405 14.268 1.00 15.11 C +ATOM 672 CD1 TYR B 236 24.965 18.609 13.910 1.00 18.93 C +ATOM 673 CD2 TYR B 236 26.709 17.096 14.449 1.00 17.89 C +ATOM 674 CE1 TYR B 236 24.141 17.528 13.723 1.00 20.86 C +ATOM 675 CE2 TYR B 236 25.917 16.018 14.221 1.00 20.29 C +ATOM 676 CZ TYR B 236 24.600 16.212 13.872 1.00 18.28 C +ATOM 677 OH TYR B 236 23.755 15.142 13.657 1.00 19.23 O +ATOM 678 N ASP B 237 25.366 21.480 15.907 1.00 19.55 N +ATOM 679 CA ASP B 237 24.118 22.007 16.404 1.00 20.25 C +ATOM 680 C ASP B 237 22.969 21.162 15.855 1.00 21.45 C +ATOM 681 O ASP B 237 22.655 21.203 14.659 1.00 18.10 O +ATOM 682 CB ASP B 237 24.000 23.463 15.972 1.00 19.83 C +ATOM 683 CG ASP B 237 22.760 24.159 16.508 1.00 26.86 C +ATOM 684 OD1 ASP B 237 22.018 23.609 17.324 1.00 24.32 O +ATOM 685 OD2 ASP B 237 22.539 25.325 16.086 1.00 31.47 O +ATOM 686 N VAL B 238 22.369 20.394 16.748 1.00 17.37 N +ATOM 687 CA VAL B 238 21.362 19.411 16.380 1.00 17.78 C +ATOM 688 C VAL B 238 19.924 19.899 16.610 1.00 19.53 C +ATOM 689 O VAL B 238 19.601 20.478 17.662 1.00 20.04 O +ATOM 690 CB VAL B 238 21.605 18.097 17.203 1.00 19.00 C +ATOM 691 CG1 VAL B 238 20.415 17.117 17.104 1.00 23.43 C +ATOM 692 CG2 VAL B 238 22.976 17.439 16.877 1.00 19.83 C +ATOM 693 N SER B 239 19.049 19.632 15.621 1.00 16.85 N +ATOM 694 CA SER B 239 17.612 19.736 15.830 1.00 15.24 C +ATOM 695 C SER B 239 17.058 18.375 16.243 1.00 18.38 C +ATOM 696 O SER B 239 17.203 17.445 15.494 1.00 18.82 O +ATOM 697 CB SER B 239 16.962 20.210 14.534 1.00 20.01 C +ATOM 698 OG SER B 239 17.435 21.475 14.162 1.00 20.80 O +ATOM 699 N GLU B 240 16.427 18.299 17.395 1.00 18.54 N +ATOM 700 CA GLU B 240 15.925 17.055 17.966 1.00 16.50 C +ATOM 701 C GLU B 240 14.538 17.293 18.615 1.00 18.00 C +ATOM 702 O GLU B 240 14.361 18.250 19.377 1.00 19.95 O +ATOM 703 CB GLU B 240 16.940 16.555 19.009 1.00 22.02 C +ATOM 704 CG GLU B 240 16.767 15.112 19.381 1.00 21.35 C +ATOM 705 CD GLU B 240 17.827 14.586 20.345 1.00 21.41 C +ATOM 706 OE1 GLU B 240 18.550 15.376 21.027 1.00 19.88 O +ATOM 707 OE2 GLU B 240 17.888 13.335 20.504 1.00 18.89 O +ATOM 708 N THR B 241 13.575 16.429 18.335 1.00 17.20 N +ATOM 709 CA THR B 241 12.201 16.564 18.813 1.00 17.38 C +ATOM 710 C THR B 241 11.590 15.214 19.145 1.00 16.10 C +ATOM 711 O THR B 241 11.767 14.284 18.386 1.00 16.91 O +ATOM 712 CB THR B 241 11.349 17.264 17.775 1.00 19.54 C +ATOM 713 OG1 THR B 241 11.952 18.507 17.419 1.00 21.35 O +ATOM 714 CG2 THR B 241 9.916 17.495 18.340 1.00 20.50 C +ATOM 715 N ALA B 242 10.884 15.117 20.276 1.00 16.12 N +ATOM 716 CA ALA B 242 10.093 13.963 20.632 1.00 14.46 C +ATOM 717 C ALA B 242 8.805 14.025 19.811 1.00 21.41 C +ATOM 718 O ALA B 242 8.188 15.096 19.645 1.00 21.85 O +ATOM 719 CB ALA B 242 9.758 13.950 22.096 1.00 16.21 C +ATOM 720 N VAL B 243 8.433 12.868 19.277 1.00 17.11 N +ATOM 721 CA VAL B 243 7.250 12.728 18.442 1.00 16.30 C +ATOM 722 C VAL B 243 6.493 11.452 18.784 1.00 14.48 C +ATOM 723 O VAL B 243 5.465 11.185 18.112 1.00 19.04 O +ATOM 724 CB VAL B 243 7.642 12.702 16.941 1.00 19.36 C +ATOM 725 CG1 VAL B 243 8.260 14.000 16.525 1.00 17.06 C +ATOM 726 CG2 VAL B 243 8.582 11.535 16.663 1.00 21.18 C +ATOM 727 OXT VAL B 243 6.809 10.687 19.699 1.00 15.27 O Added: SwiftApps/modFTdock/input/indata/2jrj-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2jrj-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2jrj-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,813 @@ +ATOM 1 N GLU A 10 -14.240 -2.580 17.725 1.00 0.00 N +ATOM 2 CA GLU A 10 -13.842 -1.928 16.459 1.00 0.00 C +ATOM 3 C GLU A 10 -13.470 -2.987 15.427 1.00 0.00 C +ATOM 4 O GLU A 10 -12.742 -3.931 15.735 1.00 0.00 O +ATOM 5 CB GLU A 10 -12.665 -0.973 16.704 1.00 0.00 C +ATOM 6 CG GLU A 10 -12.219 -0.211 15.461 1.00 0.00 C +ATOM 7 CD GLU A 10 -11.178 0.851 15.765 1.00 0.00 C +ATOM 8 OE1 GLU A 10 -9.970 0.537 15.735 1.00 0.00 O +ATOM 9 OE2 GLU A 10 -11.566 2.009 16.038 1.00 0.00 O +ATOM 10 H1 GLU A 10 -14.472 -1.865 18.441 1.00 0.00 H +ATOM 11 H2 GLU A 10 -13.465 -3.173 18.080 1.00 0.00 H +ATOM 12 H3 GLU A 10 -15.076 -3.180 17.568 1.00 0.00 H +ATOM 13 HA GLU A 10 -14.688 -1.363 16.091 1.00 0.00 H +ATOM 14 HB2 GLU A 10 -12.955 -0.252 17.455 1.00 0.00 H +ATOM 15 HB3 GLU A 10 -11.823 -1.542 17.073 1.00 0.00 H +ATOM 16 HG2 GLU A 10 -11.801 -0.913 14.753 1.00 0.00 H +ATOM 17 HG3 GLU A 10 -13.083 0.267 15.019 1.00 0.00 H +ATOM 18 N ASN A 11 -13.979 -2.836 14.206 1.00 0.00 N +ATOM 19 CA ASN A 11 -13.734 -3.811 13.149 1.00 0.00 C +ATOM 20 C ASN A 11 -12.309 -3.677 12.623 1.00 0.00 C +ATOM 21 O ASN A 11 -12.057 -2.974 11.641 1.00 0.00 O +ATOM 22 CB ASN A 11 -14.741 -3.651 11.999 1.00 0.00 C +ATOM 23 CG ASN A 11 -16.177 -3.918 12.421 1.00 0.00 C +ATOM 24 OD1 ASN A 11 -16.436 -4.681 13.354 1.00 0.00 O +ATOM 25 ND2 ASN A 11 -17.122 -3.302 11.729 1.00 0.00 N +ATOM 26 H ASN A 11 -14.521 -2.042 14.007 1.00 0.00 H +ATOM 27 HA ASN A 11 -13.850 -4.798 13.579 1.00 0.00 H +ATOM 28 HB2 ASN A 11 -14.682 -2.641 11.618 1.00 0.00 H +ATOM 29 HB3 ASN A 11 -14.485 -4.341 11.207 1.00 0.00 H +ATOM 30 HD21 ASN A 11 -16.847 -2.715 10.991 1.00 0.00 H +ATOM 31 HD22 ASN A 11 -18.057 -3.456 11.981 1.00 0.00 H +ATOM 32 N VAL A 12 -11.378 -4.330 13.308 1.00 0.00 N +ATOM 33 CA VAL A 12 -9.970 -4.313 12.920 1.00 0.00 C +ATOM 34 C VAL A 12 -9.635 -5.521 12.049 1.00 0.00 C +ATOM 35 O VAL A 12 -8.592 -5.559 11.394 1.00 0.00 O +ATOM 36 CB VAL A 12 -9.041 -4.299 14.161 1.00 0.00 C +ATOM 37 CG1 VAL A 12 -9.293 -3.051 15.005 1.00 0.00 C +ATOM 38 CG2 VAL A 12 -9.224 -5.568 14.997 1.00 0.00 C +ATOM 39 H VAL A 12 -11.646 -4.835 14.108 1.00 0.00 H +ATOM 40 HA VAL A 12 -9.788 -3.411 12.350 1.00 0.00 H +ATOM 41 HB VAL A 12 -8.016 -4.267 13.815 1.00 0.00 H +ATOM 42 HG11 VAL A 12 -10.318 -3.046 15.348 1.00 0.00 H +ATOM 43 HG12 VAL A 12 -9.110 -2.168 14.409 1.00 0.00 H +ATOM 44 HG13 VAL A 12 -8.629 -3.051 15.858 1.00 0.00 H +ATOM 45 HG21 VAL A 12 -8.981 -6.435 14.398 1.00 0.00 H +ATOM 46 HG22 VAL A 12 -10.249 -5.639 15.330 1.00 0.00 H +ATOM 47 HG23 VAL A 12 -8.569 -5.532 15.856 1.00 0.00 H +ATOM 48 N SER A 13 -10.531 -6.507 12.052 1.00 0.00 N +ATOM 49 CA SER A 13 -10.360 -7.713 11.245 1.00 0.00 C +ATOM 50 C SER A 13 -10.506 -7.401 9.753 1.00 0.00 C +ATOM 51 O SER A 13 -10.108 -8.198 8.900 1.00 0.00 O +ATOM 52 CB SER A 13 -11.373 -8.780 11.672 1.00 0.00 C +ATOM 53 OG SER A 13 -11.167 -9.165 13.024 1.00 0.00 O +ATOM 54 H SER A 13 -11.327 -6.426 12.620 1.00 0.00 H +ATOM 55 HA SER A 13 -9.361 -8.089 11.423 1.00 0.00 H +ATOM 56 HB2 SER A 13 -12.375 -8.387 11.573 1.00 0.00 H +ATOM 57 HB3 SER A 13 -11.266 -9.653 11.043 1.00 0.00 H +ATOM 58 HG SER A 13 -10.455 -9.818 13.060 1.00 0.00 H +ATOM 59 N GLN A 14 -11.084 -6.242 9.445 1.00 0.00 N +ATOM 60 CA GLN A 14 -11.214 -5.786 8.065 1.00 0.00 C +ATOM 61 C GLN A 14 -10.255 -4.622 7.819 1.00 0.00 C +ATOM 62 O GLN A 14 -10.353 -3.570 8.455 1.00 0.00 O +ATOM 63 CB GLN A 14 -12.668 -5.403 7.748 1.00 0.00 C +ATOM 64 CG GLN A 14 -13.274 -4.352 8.672 1.00 0.00 C +ATOM 65 CD GLN A 14 -14.752 -4.120 8.397 1.00 0.00 C +ATOM 66 OE1 GLN A 14 -15.472 -5.034 7.989 1.00 0.00 O +ATOM 67 NE2 GLN A 14 -15.214 -2.898 8.611 1.00 0.00 N +ATOM 68 H GLN A 14 -11.417 -5.670 10.166 1.00 0.00 H +ATOM 69 HA GLN A 14 -10.924 -6.608 7.420 1.00 0.00 H +ATOM 70 HB2 GLN A 14 -12.713 -5.024 6.737 1.00 0.00 H +ATOM 71 HB3 GLN A 14 -13.277 -6.295 7.809 1.00 0.00 H +ATOM 72 HG2 GLN A 14 -13.162 -4.680 9.696 1.00 0.00 H +ATOM 73 HG3 GLN A 14 -12.745 -3.419 8.534 1.00 0.00 H +ATOM 74 HE21 GLN A 14 -14.589 -2.214 8.932 1.00 0.00 H +ATOM 75 HE22 GLN A 14 -16.161 -2.724 8.431 1.00 0.00 H +ATOM 76 N GLN A 15 -9.326 -4.827 6.892 1.00 0.00 N +ATOM 77 CA GLN A 15 -8.205 -3.915 6.695 1.00 0.00 C +ATOM 78 C GLN A 15 -8.624 -2.653 5.946 1.00 0.00 C +ATOM 79 O GLN A 15 -9.674 -2.612 5.299 1.00 0.00 O +ATOM 80 CB GLN A 15 -7.078 -4.628 5.933 1.00 0.00 C +ATOM 81 CG GLN A 15 -6.783 -6.033 6.451 1.00 0.00 C +ATOM 82 CD GLN A 15 -6.542 -6.080 7.952 1.00 0.00 C +ATOM 83 OE1 GLN A 15 -6.017 -5.138 8.544 1.00 0.00 O +ATOM 84 NE2 GLN A 15 -6.932 -7.180 8.578 1.00 0.00 N +ATOM 85 H GLN A 15 -9.402 -5.617 6.316 1.00 0.00 H +ATOM 86 HA GLN A 15 -7.836 -3.631 7.670 1.00 0.00 H +ATOM 87 HB2 GLN A 15 -7.354 -4.704 4.889 1.00 0.00 H +ATOM 88 HB3 GLN A 15 -6.174 -4.040 6.014 1.00 0.00 H +ATOM 89 HG2 GLN A 15 -7.625 -6.671 6.219 1.00 0.00 H +ATOM 90 HG3 GLN A 15 -5.903 -6.410 5.949 1.00 0.00 H +ATOM 91 HE21 GLN A 15 -7.346 -7.894 8.046 1.00 0.00 H +ATOM 92 HE22 GLN A 15 -6.804 -7.231 9.547 1.00 0.00 H +ATOM 93 N ASN A 16 -7.785 -1.630 6.039 1.00 0.00 N +ATOM 94 CA ASN A 16 -8.013 -0.359 5.363 1.00 0.00 C +ATOM 95 C ASN A 16 -6.697 0.165 4.799 1.00 0.00 C +ATOM 96 O ASN A 16 -5.620 -0.300 5.173 1.00 0.00 O +ATOM 97 CB ASN A 16 -8.634 0.679 6.319 1.00 0.00 C +ATOM 98 CG ASN A 16 -7.795 0.946 7.565 1.00 0.00 C +ATOM 99 OD1 ASN A 16 -6.579 0.750 7.579 1.00 0.00 O +ATOM 100 ND2 ASN A 16 -8.437 1.423 8.620 1.00 0.00 N +ATOM 101 H ASN A 16 -6.973 -1.733 6.579 1.00 0.00 H +ATOM 102 HA ASN A 16 -8.695 -0.536 4.542 1.00 0.00 H +ATOM 103 HB2 ASN A 16 -8.757 1.614 5.790 1.00 0.00 H +ATOM 104 HB3 ASN A 16 -9.607 0.325 6.632 1.00 0.00 H +ATOM 105 HD21 ASN A 16 -9.404 1.582 8.545 1.00 0.00 H +ATOM 106 HD22 ASN A 16 -7.920 1.605 9.433 1.00 0.00 H +ATOM 107 N CYS A 17 -6.788 1.104 3.872 1.00 0.00 N +ATOM 108 CA CYS A 17 -5.608 1.752 3.323 1.00 0.00 C +ATOM 109 C CYS A 17 -5.297 3.033 4.095 1.00 0.00 C +ATOM 110 O CYS A 17 -5.994 4.036 3.933 1.00 0.00 O +ATOM 111 CB CYS A 17 -5.827 2.108 1.856 1.00 0.00 C +ATOM 112 SG CYS A 17 -4.481 3.119 1.172 1.00 0.00 S +ATOM 113 H CYS A 17 -7.672 1.374 3.554 1.00 0.00 H +ATOM 114 HA CYS A 17 -4.770 1.068 3.396 1.00 0.00 H +ATOM 115 HB2 CYS A 17 -5.894 1.201 1.272 1.00 0.00 H +ATOM 116 HB3 CYS A 17 -6.745 2.670 1.755 1.00 0.00 H +ATOM 117 N PRO A 18 -4.220 3.045 4.903 1.00 0.00 N +ATOM 118 CA PRO A 18 -3.815 4.242 5.651 1.00 0.00 C +ATOM 119 C PRO A 18 -3.204 5.296 4.729 1.00 0.00 C +ATOM 120 O PRO A 18 -3.115 6.471 5.081 1.00 0.00 O +ATOM 121 CB PRO A 18 -2.773 3.707 6.642 1.00 0.00 C +ATOM 122 CG PRO A 18 -2.200 2.507 5.969 1.00 0.00 C +ATOM 123 CD PRO A 18 -3.329 1.896 5.176 1.00 0.00 C +ATOM 124 HA PRO A 18 -4.647 4.674 6.190 1.00 0.00 H +ATOM 125 HB2 PRO A 18 -2.019 4.460 6.826 1.00 0.00 H +ATOM 126 HB3 PRO A 18 -3.257 3.443 7.572 1.00 0.00 H +ATOM 127 HG2 PRO A 18 -1.396 2.804 5.309 1.00 0.00 H +ATOM 128 HG3 PRO A 18 -1.838 1.806 6.709 1.00 0.00 H +ATOM 129 HD2 PRO A 18 -2.958 1.469 4.255 1.00 0.00 H +ATOM 130 HD3 PRO A 18 -3.840 1.144 5.762 1.00 0.00 H +ATOM 131 N ILE A 19 -2.815 4.859 3.528 1.00 0.00 N +ATOM 132 CA ILE A 19 -2.169 5.735 2.551 1.00 0.00 C +ATOM 133 C ILE A 19 -3.113 6.864 2.117 1.00 0.00 C +ATOM 134 O ILE A 19 -2.663 7.918 1.671 1.00 0.00 O +ATOM 135 CB ILE A 19 -1.695 4.943 1.293 1.00 0.00 C +ATOM 136 CG1 ILE A 19 -1.000 3.628 1.699 1.00 0.00 C +ATOM 137 CG2 ILE A 19 -0.752 5.800 0.443 1.00 0.00 C +ATOM 138 CD1 ILE A 19 0.264 3.815 2.513 1.00 0.00 C +ATOM 139 H ILE A 19 -2.956 3.919 3.303 1.00 0.00 H +ATOM 140 HA ILE A 19 -1.299 6.171 3.024 1.00 0.00 H +ATOM 141 HB ILE A 19 -2.562 4.707 0.686 1.00 0.00 H +ATOM 142 HG12 ILE A 19 -1.684 3.037 2.290 1.00 0.00 H +ATOM 143 HG13 ILE A 19 -0.739 3.076 0.807 1.00 0.00 H +ATOM 144 HG21 ILE A 19 0.113 6.077 1.028 1.00 0.00 H +ATOM 145 HG22 ILE A 19 -1.267 6.694 0.120 1.00 0.00 H +ATOM 146 HG23 ILE A 19 -0.435 5.238 -0.424 1.00 0.00 H +ATOM 147 HD11 ILE A 19 0.037 4.370 3.412 1.00 0.00 H +ATOM 148 HD12 ILE A 19 0.993 4.358 1.930 1.00 0.00 H +ATOM 149 HD13 ILE A 19 0.665 2.848 2.780 1.00 0.00 H +ATOM 150 N CYS A 20 -4.424 6.645 2.260 1.00 0.00 N +ATOM 151 CA CYS A 20 -5.412 7.653 1.855 1.00 0.00 C +ATOM 152 C CYS A 20 -6.781 7.401 2.504 1.00 0.00 C +ATOM 153 O CYS A 20 -7.795 7.923 2.040 1.00 0.00 O +ATOM 154 CB CYS A 20 -5.559 7.662 0.329 1.00 0.00 C +ATOM 155 SG CYS A 20 -6.345 6.163 -0.333 1.00 0.00 S +ATOM 156 H CYS A 20 -4.730 5.803 2.649 1.00 0.00 H +ATOM 157 HA CYS A 20 -5.051 8.620 2.177 1.00 0.00 H +ATOM 158 HB2 CYS A 20 -6.162 8.509 0.034 1.00 0.00 H +ATOM 159 HB3 CYS A 20 -4.581 7.749 -0.122 1.00 0.00 H +ATOM 160 N LEU A 21 -6.803 6.602 3.576 1.00 0.00 N +ATOM 161 CA LEU A 21 -8.034 6.330 4.338 1.00 0.00 C +ATOM 162 C LEU A 21 -9.131 5.690 3.472 1.00 0.00 C +ATOM 163 O LEU A 21 -10.320 5.945 3.675 1.00 0.00 O +ATOM 164 CB LEU A 21 -8.555 7.623 4.988 1.00 0.00 C +ATOM 165 CG LEU A 21 -7.598 8.287 5.993 1.00 0.00 C +ATOM 166 CD1 LEU A 21 -8.214 9.560 6.566 1.00 0.00 C +ATOM 167 CD2 LEU A 21 -7.226 7.315 7.112 1.00 0.00 C +ATOM 168 H LEU A 21 -5.969 6.195 3.880 1.00 0.00 H +ATOM 169 HA LEU A 21 -7.776 5.634 5.123 1.00 0.00 H +ATOM 170 HB2 LEU A 21 -8.768 8.335 4.200 1.00 0.00 H +ATOM 171 HB3 LEU A 21 -9.479 7.396 5.501 1.00 0.00 H +ATOM 172 HG LEU A 21 -6.688 8.566 5.479 1.00 0.00 H +ATOM 173 HD11 LEU A 21 -7.529 10.006 7.272 1.00 0.00 H +ATOM 174 HD12 LEU A 21 -9.141 9.320 7.068 1.00 0.00 H +ATOM 175 HD13 LEU A 21 -8.409 10.258 5.766 1.00 0.00 H +ATOM 176 HD21 LEU A 21 -6.735 6.449 6.691 1.00 0.00 H +ATOM 177 HD22 LEU A 21 -8.120 7.002 7.634 1.00 0.00 H +ATOM 178 HD23 LEU A 21 -6.557 7.803 7.807 1.00 0.00 H +ATOM 179 N GLU A 22 -8.729 4.845 2.526 1.00 0.00 N +ATOM 180 CA GLU A 22 -9.685 4.099 1.696 1.00 0.00 C +ATOM 181 C GLU A 22 -9.764 2.645 2.156 1.00 0.00 C +ATOM 182 O GLU A 22 -9.128 2.268 3.139 1.00 0.00 O +ATOM 183 CB GLU A 22 -9.293 4.152 0.210 1.00 0.00 C +ATOM 184 CG GLU A 22 -9.511 5.512 -0.442 1.00 0.00 C +ATOM 185 CD GLU A 22 -9.309 5.476 -1.951 1.00 0.00 C +ATOM 186 OE1 GLU A 22 -10.241 5.062 -2.671 1.00 0.00 O +ATOM 187 OE2 GLU A 22 -8.220 5.859 -2.424 1.00 0.00 O +ATOM 188 H GLU A 22 -7.776 4.705 2.393 1.00 0.00 H +ATOM 189 HA GLU A 22 -10.660 4.551 1.819 1.00 0.00 H +ATOM 190 HB2 GLU A 22 -8.246 3.897 0.115 1.00 0.00 H +ATOM 191 HB3 GLU A 22 -9.879 3.422 -0.331 1.00 0.00 H +ATOM 192 HG2 GLU A 22 -10.522 5.836 -0.236 1.00 0.00 H +ATOM 193 HG3 GLU A 22 -8.815 6.220 -0.013 1.00 0.00 H +ATOM 194 N ASP A 23 -10.532 1.836 1.434 1.00 0.00 N +ATOM 195 CA ASP A 23 -10.683 0.411 1.746 1.00 0.00 C +ATOM 196 C ASP A 23 -9.491 -0.389 1.209 1.00 0.00 C +ATOM 197 O ASP A 23 -8.726 0.107 0.372 1.00 0.00 O +ATOM 198 CB ASP A 23 -12.000 -0.120 1.148 1.00 0.00 C +ATOM 199 CG ASP A 23 -12.249 -1.594 1.452 1.00 0.00 C +ATOM 200 OD1 ASP A 23 -12.800 -1.903 2.533 1.00 0.00 O +ATOM 201 OD2 ASP A 23 -11.898 -2.451 0.612 1.00 0.00 O +ATOM 202 H ASP A 23 -11.018 2.204 0.663 1.00 0.00 H +ATOM 203 HA ASP A 23 -10.717 0.307 2.822 1.00 0.00 H +ATOM 204 HB2 ASP A 23 -12.824 0.453 1.550 1.00 0.00 H +ATOM 205 HB3 ASP A 23 -11.975 0.010 0.074 1.00 0.00 H +ATOM 206 N ILE A 24 -9.320 -1.609 1.722 1.00 0.00 N +ATOM 207 CA ILE A 24 -8.278 -2.525 1.262 1.00 0.00 C +ATOM 208 C ILE A 24 -8.622 -3.958 1.673 1.00 0.00 C +ATOM 209 O ILE A 24 -9.331 -4.176 2.656 1.00 0.00 O +ATOM 210 CB ILE A 24 -6.865 -2.117 1.798 1.00 0.00 C +ATOM 211 CG1 ILE A 24 -6.042 -1.467 0.670 1.00 0.00 C +ATOM 212 CG2 ILE A 24 -6.109 -3.302 2.410 1.00 0.00 C +ATOM 213 CD1 ILE A 24 -4.621 -1.126 1.057 1.00 0.00 C +ATOM 214 H ILE A 24 -9.925 -1.911 2.432 1.00 0.00 H +ATOM 215 HA ILE A 24 -8.259 -2.479 0.179 1.00 0.00 H +ATOM 216 HB ILE A 24 -7.009 -1.386 2.581 1.00 0.00 H +ATOM 217 HG12 ILE A 24 -5.996 -2.144 -0.170 1.00 0.00 H +ATOM 218 HG13 ILE A 24 -6.528 -0.553 0.360 1.00 0.00 H +ATOM 219 HG21 ILE A 24 -6.688 -3.717 3.223 1.00 0.00 H +ATOM 220 HG22 ILE A 24 -5.152 -2.968 2.787 1.00 0.00 H +ATOM 221 HG23 ILE A 24 -5.953 -4.060 1.656 1.00 0.00 H +ATOM 222 HD11 ILE A 24 -4.626 -0.486 1.927 1.00 0.00 H +ATOM 223 HD12 ILE A 24 -4.143 -0.613 0.237 1.00 0.00 H +ATOM 224 HD13 ILE A 24 -4.079 -2.033 1.279 1.00 0.00 H +ATOM 225 N HIS A 25 -8.119 -4.929 0.910 1.00 0.00 N +ATOM 226 CA HIS A 25 -8.365 -6.343 1.183 1.00 0.00 C +ATOM 227 C HIS A 25 -7.147 -7.179 0.790 1.00 0.00 C +ATOM 228 O HIS A 25 -6.276 -6.708 0.057 1.00 0.00 O +ATOM 229 CB HIS A 25 -9.631 -6.832 0.457 1.00 0.00 C +ATOM 230 CG HIS A 25 -9.643 -6.581 -1.025 1.00 0.00 C +ATOM 231 ND1 HIS A 25 -9.906 -7.561 -1.955 1.00 0.00 N +ATOM 232 CD2 HIS A 25 -9.469 -5.439 -1.730 1.00 0.00 C +ATOM 233 CE1 HIS A 25 -9.894 -7.033 -3.164 1.00 0.00 C +ATOM 234 NE2 HIS A 25 -9.632 -5.743 -3.059 1.00 0.00 N +ATOM 235 H HIS A 25 -7.548 -4.688 0.151 1.00 0.00 H +ATOM 236 HA HIS A 25 -8.515 -6.449 2.250 1.00 0.00 H +ATOM 237 HB2 HIS A 25 -9.734 -7.895 0.610 1.00 0.00 H +ATOM 238 HB3 HIS A 25 -10.490 -6.331 0.881 1.00 0.00 H +ATOM 239 HD1 HIS A 25 -10.090 -8.510 -1.758 1.00 0.00 H +ATOM 240 HD2 HIS A 25 -9.239 -4.466 -1.321 1.00 0.00 H +ATOM 241 HE1 HIS A 25 -10.070 -7.567 -4.086 1.00 0.00 H +ATOM 242 HE2 HIS A 25 -9.855 -5.081 -3.752 1.00 0.00 H +ATOM 243 N THR A 26 -7.106 -8.415 1.279 1.00 0.00 N +ATOM 244 CA THR A 26 -5.937 -9.285 1.144 1.00 0.00 C +ATOM 245 C THR A 26 -5.632 -9.662 -0.311 1.00 0.00 C +ATOM 246 O THR A 26 -4.494 -10.004 -0.640 1.00 0.00 O +ATOM 247 CB THR A 26 -6.131 -10.571 1.980 1.00 0.00 C +ATOM 248 OG1 THR A 26 -7.438 -11.110 1.734 1.00 0.00 O +ATOM 249 CG2 THR A 26 -5.966 -10.290 3.473 1.00 0.00 C +ATOM 250 H THR A 26 -7.893 -8.761 1.751 1.00 0.00 H +ATOM 251 HA THR A 26 -5.085 -8.754 1.545 1.00 0.00 H +ATOM 252 HB THR A 26 -5.387 -11.298 1.680 1.00 0.00 H +ATOM 253 HG1 THR A 26 -7.352 -11.963 1.290 1.00 0.00 H +ATOM 254 HG21 THR A 26 -6.699 -9.561 3.787 1.00 0.00 H +ATOM 255 HG22 THR A 26 -4.973 -9.906 3.661 1.00 0.00 H +ATOM 256 HG23 THR A 26 -6.108 -11.205 4.030 1.00 0.00 H +ATOM 257 N SER A 27 -6.646 -9.615 -1.172 1.00 0.00 N +ATOM 258 CA SER A 27 -6.466 -9.938 -2.586 1.00 0.00 C +ATOM 259 C SER A 27 -5.430 -9.007 -3.226 1.00 0.00 C +ATOM 260 O SER A 27 -5.661 -7.802 -3.373 1.00 0.00 O +ATOM 261 CB SER A 27 -7.803 -9.845 -3.328 1.00 0.00 C +ATOM 262 OG SER A 27 -7.671 -10.240 -4.682 1.00 0.00 O +ATOM 263 H SER A 27 -7.536 -9.366 -0.848 1.00 0.00 H +ATOM 264 HA SER A 27 -6.103 -10.956 -2.646 1.00 0.00 H +ATOM 265 HB2 SER A 27 -8.524 -10.491 -2.850 1.00 0.00 H +ATOM 266 HB3 SER A 27 -8.160 -8.826 -3.298 1.00 0.00 H +ATOM 267 HG SER A 27 -7.852 -11.186 -4.758 1.00 0.00 H +ATOM 268 N ARG A 28 -4.291 -9.581 -3.612 1.00 0.00 N +ATOM 269 CA ARG A 28 -3.162 -8.807 -4.133 1.00 0.00 C +ATOM 270 C ARG A 28 -3.102 -8.860 -5.658 1.00 0.00 C +ATOM 271 O ARG A 28 -2.072 -8.544 -6.265 1.00 0.00 O +ATOM 272 CB ARG A 28 -1.829 -9.292 -3.530 1.00 0.00 C +ATOM 273 CG ARG A 28 -1.507 -10.771 -3.758 1.00 0.00 C +ATOM 274 CD ARG A 28 -2.236 -11.679 -2.772 1.00 0.00 C +ATOM 275 NE ARG A 28 -1.889 -13.089 -2.966 1.00 0.00 N +ATOM 276 CZ ARG A 28 -1.086 -13.782 -2.158 1.00 0.00 C +ATOM 277 NH1 ARG A 28 -0.478 -13.185 -1.137 1.00 0.00 N +ATOM 278 NH2 ARG A 28 -0.878 -15.070 -2.386 1.00 0.00 N +ATOM 279 H ARG A 28 -4.217 -10.556 -3.561 1.00 0.00 H +ATOM 280 HA ARG A 28 -3.313 -7.776 -3.841 1.00 0.00 H +ATOM 281 HB2 ARG A 28 -1.027 -8.707 -3.958 1.00 0.00 H +ATOM 282 HB3 ARG A 28 -1.851 -9.112 -2.463 1.00 0.00 H +ATOM 283 HG2 ARG A 28 -1.798 -11.043 -4.762 1.00 0.00 H +ATOM 284 HG3 ARG A 28 -0.440 -10.916 -3.643 1.00 0.00 H +ATOM 285 HD2 ARG A 28 -1.973 -11.385 -1.765 1.00 0.00 H +ATOM 286 HD3 ARG A 28 -3.301 -11.559 -2.913 1.00 0.00 H +ATOM 287 HE ARG A 28 -2.294 -13.549 -3.738 1.00 0.00 H +ATOM 288 HH11 ARG A 28 -0.615 -12.204 -0.969 1.00 0.00 H +ATOM 289 HH12 ARG A 28 0.118 -13.714 -0.525 1.00 0.00 H +ATOM 290 HH21 ARG A 28 -1.328 -15.523 -3.162 1.00 0.00 H +ATOM 291 HH22 ARG A 28 -0.267 -15.598 -1.789 1.00 0.00 H +ATOM 292 N VAL A 29 -4.202 -9.267 -6.279 1.00 0.00 N +ATOM 293 CA VAL A 29 -4.310 -9.225 -7.734 1.00 0.00 C +ATOM 294 C VAL A 29 -4.552 -7.786 -8.191 1.00 0.00 C +ATOM 295 O VAL A 29 -4.051 -7.354 -9.234 1.00 0.00 O +ATOM 296 CB VAL A 29 -5.440 -10.154 -8.255 1.00 0.00 C +ATOM 297 CG1 VAL A 29 -6.792 -9.769 -7.661 1.00 0.00 C +ATOM 298 CG2 VAL A 29 -5.492 -10.143 -9.783 1.00 0.00 C +ATOM 299 H VAL A 29 -4.954 -9.608 -5.749 1.00 0.00 H +ATOM 300 HA VAL A 29 -3.369 -9.568 -8.147 1.00 0.00 H +ATOM 301 HB VAL A 29 -5.215 -11.163 -7.937 1.00 0.00 H +ATOM 302 HG11 VAL A 29 -6.742 -9.826 -6.583 1.00 0.00 H +ATOM 303 HG12 VAL A 29 -7.552 -10.448 -8.021 1.00 0.00 H +ATOM 304 HG13 VAL A 29 -7.044 -8.760 -7.955 1.00 0.00 H +ATOM 305 HG21 VAL A 29 -4.541 -10.468 -10.180 1.00 0.00 H +ATOM 306 HG22 VAL A 29 -5.705 -9.142 -10.132 1.00 0.00 H +ATOM 307 HG23 VAL A 29 -6.269 -10.814 -10.122 1.00 0.00 H +ATOM 308 N VAL A 30 -5.311 -7.045 -7.387 1.00 0.00 N +ATOM 309 CA VAL A 30 -5.577 -5.633 -7.645 1.00 0.00 C +ATOM 310 C VAL A 30 -4.622 -4.762 -6.830 1.00 0.00 C +ATOM 311 O VAL A 30 -4.018 -3.821 -7.351 1.00 0.00 O +ATOM 312 CB VAL A 30 -7.040 -5.256 -7.298 1.00 0.00 C +ATOM 313 CG1 VAL A 30 -7.308 -3.778 -7.584 1.00 0.00 C +ATOM 314 CG2 VAL A 30 -8.020 -6.142 -8.065 1.00 0.00 C +ATOM 315 H VAL A 30 -5.705 -7.463 -6.595 1.00 0.00 H +ATOM 316 HA VAL A 30 -5.414 -5.444 -8.699 1.00 0.00 H +ATOM 317 HB VAL A 30 -7.190 -5.426 -6.239 1.00 0.00 H +ATOM 318 HG11 VAL A 30 -8.335 -3.544 -7.344 1.00 0.00 H +ATOM 319 HG12 VAL A 30 -7.128 -3.574 -8.630 1.00 0.00 H +ATOM 320 HG13 VAL A 30 -6.651 -3.167 -6.981 1.00 0.00 H +ATOM 321 HG21 VAL A 30 -7.872 -6.007 -9.127 1.00 0.00 H +ATOM 322 HG22 VAL A 30 -9.034 -5.870 -7.806 1.00 0.00 H +ATOM 323 HG23 VAL A 30 -7.849 -7.177 -7.808 1.00 0.00 H +ATOM 324 N ALA A 31 -4.485 -5.089 -5.546 1.00 0.00 N +ATOM 325 CA ALA A 31 -3.592 -4.355 -4.655 1.00 0.00 C +ATOM 326 C ALA A 31 -2.144 -4.778 -4.885 1.00 0.00 C +ATOM 327 O ALA A 31 -1.814 -5.959 -4.788 1.00 0.00 O +ATOM 328 CB ALA A 31 -3.991 -4.578 -3.198 1.00 0.00 C +ATOM 329 H ALA A 31 -4.990 -5.848 -5.191 1.00 0.00 H +ATOM 330 HA ALA A 31 -3.692 -3.300 -4.874 1.00 0.00 H +ATOM 331 HB1 ALA A 31 -5.015 -4.265 -3.051 1.00 0.00 H +ATOM 332 HB2 ALA A 31 -3.344 -4.000 -2.552 1.00 0.00 H +ATOM 333 HB3 ALA A 31 -3.898 -5.627 -2.953 1.00 0.00 H +ATOM 334 N HIS A 32 -1.289 -3.810 -5.200 1.00 0.00 N +ATOM 335 CA HIS A 32 0.124 -4.080 -5.447 1.00 0.00 C +ATOM 336 C HIS A 32 0.834 -4.373 -4.126 1.00 0.00 C +ATOM 337 O HIS A 32 0.576 -3.715 -3.116 1.00 0.00 O +ATOM 338 CB HIS A 32 0.779 -2.884 -6.158 1.00 0.00 C +ATOM 339 CG HIS A 32 2.172 -3.152 -6.661 1.00 0.00 C +ATOM 340 ND1 HIS A 32 2.471 -3.285 -7.999 1.00 0.00 N +ATOM 341 CD2 HIS A 32 3.349 -3.295 -6.002 1.00 0.00 C +ATOM 342 CE1 HIS A 32 3.764 -3.500 -8.141 1.00 0.00 C +ATOM 343 NE2 HIS A 32 4.321 -3.510 -6.946 1.00 0.00 N +ATOM 344 H HIS A 32 -1.613 -2.888 -5.252 1.00 0.00 H +ATOM 345 HA HIS A 32 0.192 -4.952 -6.084 1.00 0.00 H +ATOM 346 HB2 HIS A 32 0.172 -2.605 -7.006 1.00 0.00 H +ATOM 347 HB3 HIS A 32 0.828 -2.049 -5.472 1.00 0.00 H +ATOM 348 HD1 HIS A 32 1.830 -3.234 -8.740 1.00 0.00 H +ATOM 349 HD2 HIS A 32 3.493 -3.249 -4.932 1.00 0.00 H +ATOM 350 HE1 HIS A 32 4.281 -3.644 -9.078 1.00 0.00 H +ATOM 351 HE2 HIS A 32 5.237 -3.821 -6.758 1.00 0.00 H +ATOM 352 N VAL A 33 1.716 -5.363 -4.139 1.00 0.00 N +ATOM 353 CA VAL A 33 2.449 -5.763 -2.943 1.00 0.00 C +ATOM 354 C VAL A 33 3.748 -4.969 -2.812 1.00 0.00 C +ATOM 355 O VAL A 33 4.598 -5.009 -3.705 1.00 0.00 O +ATOM 356 CB VAL A 33 2.795 -7.275 -2.971 1.00 0.00 C +ATOM 357 CG1 VAL A 33 3.387 -7.727 -1.635 1.00 0.00 C +ATOM 358 CG2 VAL A 33 1.569 -8.110 -3.335 1.00 0.00 C +ATOM 359 H VAL A 33 1.880 -5.845 -4.977 1.00 0.00 H +ATOM 360 HA VAL A 33 1.824 -5.571 -2.080 1.00 0.00 H +ATOM 361 HB VAL A 33 3.545 -7.433 -3.735 1.00 0.00 H +ATOM 362 HG11 VAL A 33 4.288 -7.166 -1.430 1.00 0.00 H +ATOM 363 HG12 VAL A 33 3.625 -8.781 -1.684 1.00 0.00 H +ATOM 364 HG13 VAL A 33 2.670 -7.558 -0.845 1.00 0.00 H +ATOM 365 HG21 VAL A 33 0.800 -7.968 -2.591 1.00 0.00 H +ATOM 366 HG22 VAL A 33 1.842 -9.156 -3.373 1.00 0.00 H +ATOM 367 HG23 VAL A 33 1.196 -7.803 -4.302 1.00 0.00 H +ATOM 368 N LEU A 34 3.886 -4.230 -1.717 1.00 0.00 N +ATOM 369 CA LEU A 34 5.160 -3.601 -1.374 1.00 0.00 C +ATOM 370 C LEU A 34 6.170 -4.684 -0.987 1.00 0.00 C +ATOM 371 O LEU A 34 5.782 -5.735 -0.475 1.00 0.00 O +ATOM 372 CB LEU A 34 5.001 -2.608 -0.207 1.00 0.00 C +ATOM 373 CG LEU A 34 4.231 -1.310 -0.512 1.00 0.00 C +ATOM 374 CD1 LEU A 34 4.107 -0.461 0.754 1.00 0.00 C +ATOM 375 CD2 LEU A 34 4.919 -0.514 -1.626 1.00 0.00 C +ATOM 376 H LEU A 34 3.111 -4.107 -1.126 1.00 0.00 H +ATOM 377 HA LEU A 34 5.522 -3.075 -2.247 1.00 0.00 H +ATOM 378 HB2 LEU A 34 4.492 -3.119 0.598 1.00 0.00 H +ATOM 379 HB3 LEU A 34 5.991 -2.336 0.137 1.00 0.00 H +ATOM 380 HG LEU A 34 3.232 -1.559 -0.844 1.00 0.00 H +ATOM 381 HD11 LEU A 34 5.093 -0.197 1.110 1.00 0.00 H +ATOM 382 HD12 LEU A 34 3.592 -1.024 1.519 1.00 0.00 H +ATOM 383 HD13 LEU A 34 3.550 0.438 0.535 1.00 0.00 H +ATOM 384 HD21 LEU A 34 4.366 0.397 -1.818 1.00 0.00 H +ATOM 385 HD22 LEU A 34 4.952 -1.107 -2.528 1.00 0.00 H +ATOM 386 HD23 LEU A 34 5.926 -0.263 -1.325 1.00 0.00 H +ATOM 387 N PRO A 35 7.479 -4.437 -1.186 1.00 0.00 N +ATOM 388 CA PRO A 35 8.520 -5.432 -0.889 1.00 0.00 C +ATOM 389 C PRO A 35 8.632 -5.724 0.611 1.00 0.00 C +ATOM 390 O PRO A 35 9.340 -6.643 1.025 1.00 0.00 O +ATOM 391 CB PRO A 35 9.805 -4.786 -1.429 1.00 0.00 C +ATOM 392 CG PRO A 35 9.525 -3.322 -1.441 1.00 0.00 C +ATOM 393 CD PRO A 35 8.049 -3.177 -1.707 1.00 0.00 C +ATOM 394 HA PRO A 35 8.333 -6.359 -1.414 1.00 0.00 H +ATOM 395 HB2 PRO A 35 10.639 -5.025 -0.782 1.00 0.00 H +ATOM 396 HB3 PRO A 35 10.004 -5.156 -2.426 1.00 0.00 H +ATOM 397 HG2 PRO A 35 9.778 -2.892 -0.481 1.00 0.00 H +ATOM 398 HG3 PRO A 35 10.095 -2.844 -2.225 1.00 0.00 H +ATOM 399 HD2 PRO A 35 7.652 -2.325 -1.173 1.00 0.00 H +ATOM 400 HD3 PRO A 35 7.859 -3.078 -2.765 1.00 0.00 H +ATOM 401 N CYS A 36 7.931 -4.930 1.418 1.00 0.00 N +ATOM 402 CA CYS A 36 7.886 -5.132 2.869 1.00 0.00 C +ATOM 403 C CYS A 36 6.587 -5.848 3.268 1.00 0.00 C +ATOM 404 O CYS A 36 6.248 -5.934 4.447 1.00 0.00 O +ATOM 405 CB CYS A 36 8.014 -3.783 3.585 1.00 0.00 C +ATOM 406 SG CYS A 36 8.103 -3.865 5.406 1.00 0.00 S +ATOM 407 H CYS A 36 7.442 -4.176 1.029 1.00 0.00 H +ATOM 408 HA CYS A 36 8.724 -5.758 3.146 1.00 0.00 H +ATOM 409 HB2 CYS A 36 8.909 -3.288 3.241 1.00 0.00 H +ATOM 410 HB3 CYS A 36 7.156 -3.174 3.329 1.00 0.00 H +ATOM 411 N GLY A 37 5.851 -6.337 2.263 1.00 0.00 N +ATOM 412 CA GLY A 37 4.716 -7.224 2.506 1.00 0.00 C +ATOM 413 C GLY A 37 3.376 -6.515 2.657 1.00 0.00 C +ATOM 414 O GLY A 37 2.382 -7.148 3.015 1.00 0.00 O +ATOM 415 H GLY A 37 6.083 -6.096 1.342 1.00 0.00 H +ATOM 416 HA2 GLY A 37 4.642 -7.913 1.678 1.00 0.00 H +ATOM 417 HA3 GLY A 37 4.909 -7.794 3.406 1.00 0.00 H +ATOM 418 N HIS A 38 3.333 -5.214 2.379 1.00 0.00 N +ATOM 419 CA HIS A 38 2.090 -4.441 2.523 1.00 0.00 C +ATOM 420 C HIS A 38 1.344 -4.353 1.200 1.00 0.00 C +ATOM 421 O HIS A 38 1.939 -4.498 0.138 1.00 0.00 O +ATOM 422 CB HIS A 38 2.377 -3.032 3.036 1.00 0.00 C +ATOM 423 CG HIS A 38 3.210 -3.012 4.265 1.00 0.00 C +ATOM 424 ND1 HIS A 38 2.895 -3.677 5.430 1.00 0.00 N +ATOM 425 CD2 HIS A 38 4.386 -2.399 4.489 1.00 0.00 C +ATOM 426 CE1 HIS A 38 3.879 -3.449 6.303 1.00 0.00 C +ATOM 427 NE2 HIS A 38 4.806 -2.677 5.775 1.00 0.00 N +ATOM 428 H HIS A 38 4.144 -4.767 2.063 1.00 0.00 H +ATOM 429 HA HIS A 38 1.461 -4.952 3.240 1.00 0.00 H +ATOM 430 HB2 HIS A 38 2.899 -2.477 2.272 1.00 0.00 H +ATOM 431 HB3 HIS A 38 1.444 -2.534 3.261 1.00 0.00 H +ATOM 432 HD1 HIS A 38 2.089 -4.218 5.595 1.00 0.00 H +ATOM 433 HD2 HIS A 38 4.926 -1.786 3.782 1.00 0.00 H +ATOM 434 HE1 HIS A 38 3.910 -3.845 7.308 1.00 0.00 H +ATOM 435 N LEU A 39 0.041 -4.119 1.278 1.00 0.00 N +ATOM 436 CA LEU A 39 -0.800 -4.006 0.100 1.00 0.00 C +ATOM 437 C LEU A 39 -1.339 -2.586 -0.059 1.00 0.00 C +ATOM 438 O LEU A 39 -1.638 -1.906 0.927 1.00 0.00 O +ATOM 439 CB LEU A 39 -1.953 -5.001 0.214 1.00 0.00 C +ATOM 440 CG LEU A 39 -1.541 -6.476 0.126 1.00 0.00 C +ATOM 441 CD1 LEU A 39 -2.727 -7.390 0.418 1.00 0.00 C +ATOM 442 CD2 LEU A 39 -0.950 -6.783 -1.246 1.00 0.00 C +ATOM 443 H LEU A 39 -0.376 -4.024 2.155 1.00 0.00 H +ATOM 444 HA LEU A 39 -0.205 -4.255 -0.768 1.00 0.00 H +ATOM 445 HB2 LEU A 39 -2.441 -4.840 1.164 1.00 0.00 H +ATOM 446 HB3 LEU A 39 -2.658 -4.795 -0.571 1.00 0.00 H +ATOM 447 HG LEU A 39 -0.777 -6.672 0.866 1.00 0.00 H +ATOM 448 HD11 LEU A 39 -3.106 -7.184 1.408 1.00 0.00 H +ATOM 449 HD12 LEU A 39 -2.410 -8.421 0.362 1.00 0.00 H +ATOM 450 HD13 LEU A 39 -3.509 -7.215 -0.309 1.00 0.00 H +ATOM 451 HD21 LEU A 39 -1.687 -6.584 -2.012 1.00 0.00 H +ATOM 452 HD22 LEU A 39 -0.659 -7.822 -1.290 1.00 0.00 H +ATOM 453 HD23 LEU A 39 -0.082 -6.161 -1.412 1.00 0.00 H +ATOM 454 N LEU A 40 -1.430 -2.141 -1.307 1.00 0.00 N +ATOM 455 CA LEU A 40 -2.022 -0.850 -1.652 1.00 0.00 C +ATOM 456 C LEU A 40 -2.464 -0.861 -3.114 1.00 0.00 C +ATOM 457 O LEU A 40 -1.797 -1.458 -3.959 1.00 0.00 O +ATOM 458 CB LEU A 40 -1.037 0.317 -1.392 1.00 0.00 C +ATOM 459 CG LEU A 40 0.465 -0.035 -1.359 1.00 0.00 C +ATOM 460 CD1 LEU A 40 0.933 -0.616 -2.690 1.00 0.00 C +ATOM 461 CD2 LEU A 40 1.291 1.197 -0.990 1.00 0.00 C +ATOM 462 H LEU A 40 -1.077 -2.704 -2.033 1.00 0.00 H +ATOM 463 HA LEU A 40 -2.898 -0.714 -1.026 1.00 0.00 H +ATOM 464 HB2 LEU A 40 -1.183 1.061 -2.167 1.00 0.00 H +ATOM 465 HB3 LEU A 40 -1.295 0.767 -0.442 1.00 0.00 H +ATOM 466 HG LEU A 40 0.633 -0.784 -0.598 1.00 0.00 H +ATOM 467 HD11 LEU A 40 0.389 -1.527 -2.897 1.00 0.00 H +ATOM 468 HD12 LEU A 40 1.990 -0.833 -2.639 1.00 0.00 H +ATOM 469 HD13 LEU A 40 0.751 0.098 -3.481 1.00 0.00 H +ATOM 470 HD21 LEU A 40 2.339 0.935 -0.966 1.00 0.00 H +ATOM 471 HD22 LEU A 40 0.988 1.556 -0.017 1.00 0.00 H +ATOM 472 HD23 LEU A 40 1.132 1.974 -1.725 1.00 0.00 H +ATOM 473 N HIS A 41 -3.600 -0.228 -3.407 1.00 0.00 N +ATOM 474 CA HIS A 41 -4.063 -0.100 -4.792 1.00 0.00 C +ATOM 475 C HIS A 41 -2.988 0.562 -5.661 1.00 0.00 C +ATOM 476 O HIS A 41 -2.160 1.330 -5.160 1.00 0.00 O +ATOM 477 CB HIS A 41 -5.396 0.673 -4.890 1.00 0.00 C +ATOM 478 CG HIS A 41 -5.743 1.480 -3.685 1.00 0.00 C +ATOM 479 ND1 HIS A 41 -6.535 1.029 -2.662 1.00 0.00 N +ATOM 480 CD2 HIS A 41 -5.361 2.722 -3.340 1.00 0.00 C +ATOM 481 CE1 HIS A 41 -6.600 1.993 -1.742 1.00 0.00 C +ATOM 482 NE2 HIS A 41 -5.892 3.052 -2.098 1.00 0.00 N +ATOM 483 H HIS A 41 -4.146 0.134 -2.683 1.00 0.00 H +ATOM 484 HA HIS A 41 -4.223 -1.104 -5.159 1.00 0.00 H +ATOM 485 HB2 HIS A 41 -5.338 1.359 -5.720 1.00 0.00 H +ATOM 486 HB3 HIS A 41 -6.201 -0.027 -5.066 1.00 0.00 H +ATOM 487 HD1 HIS A 41 -6.991 0.157 -2.622 1.00 0.00 H +ATOM 488 HD2 HIS A 41 -4.738 3.375 -3.932 1.00 0.00 H +ATOM 489 HE1 HIS A 41 -7.155 1.914 -0.821 1.00 0.00 H +ATOM 490 N ARG A 42 -3.040 0.272 -6.961 1.00 0.00 N +ATOM 491 CA ARG A 42 -1.985 0.641 -7.914 1.00 0.00 C +ATOM 492 C ARG A 42 -1.554 2.104 -7.775 1.00 0.00 C +ATOM 493 O ARG A 42 -0.372 2.390 -7.579 1.00 0.00 O +ATOM 494 CB ARG A 42 -2.460 0.365 -9.347 1.00 0.00 C +ATOM 495 CG ARG A 42 -2.922 -1.073 -9.571 1.00 0.00 C +ATOM 496 CD ARG A 42 -1.803 -2.078 -9.328 1.00 0.00 C +ATOM 497 NE ARG A 42 -2.272 -3.460 -9.451 1.00 0.00 N +ATOM 498 CZ ARG A 42 -1.564 -4.449 -9.997 1.00 0.00 C +ATOM 499 NH1 ARG A 42 -0.369 -4.211 -10.521 1.00 0.00 N +ATOM 500 NH2 ARG A 42 -2.054 -5.679 -10.031 1.00 0.00 N +ATOM 501 H ARG A 42 -3.828 -0.209 -7.299 1.00 0.00 H +ATOM 502 HA ARG A 42 -1.130 0.012 -7.709 1.00 0.00 H +ATOM 503 HB2 ARG A 42 -3.286 1.026 -9.575 1.00 0.00 H +ATOM 504 HB3 ARG A 42 -1.648 0.571 -10.031 1.00 0.00 H +ATOM 505 HG2 ARG A 42 -3.736 -1.289 -8.893 1.00 0.00 H +ATOM 506 HG3 ARG A 42 -3.269 -1.174 -10.591 1.00 0.00 H +ATOM 507 HD2 ARG A 42 -1.017 -1.906 -10.050 1.00 0.00 H +ATOM 508 HD3 ARG A 42 -1.411 -1.930 -8.331 1.00 0.00 H +ATOM 509 HE ARG A 42 -3.166 -3.662 -9.090 1.00 0.00 H +ATOM 510 HH11 ARG A 42 0.012 -3.284 -10.511 1.00 0.00 H +ATOM 511 HH12 ARG A 42 0.156 -4.962 -10.932 1.00 0.00 H +ATOM 512 HH21 ARG A 42 -2.960 -5.875 -9.646 1.00 0.00 H +ATOM 513 HH22 ARG A 42 -1.517 -6.423 -10.438 1.00 0.00 H +ATOM 514 N THR A 43 -2.512 3.021 -7.863 1.00 0.00 N +ATOM 515 CA THR A 43 -2.221 4.448 -7.758 1.00 0.00 C +ATOM 516 C THR A 43 -1.501 4.769 -6.446 1.00 0.00 C +ATOM 517 O THR A 43 -0.541 5.540 -6.420 1.00 0.00 O +ATOM 518 CB THR A 43 -3.518 5.281 -7.861 1.00 0.00 C +ATOM 519 OG1 THR A 43 -4.152 5.021 -9.121 1.00 0.00 O +ATOM 520 CG2 THR A 43 -3.238 6.775 -7.724 1.00 0.00 C +ATOM 521 H THR A 43 -3.439 2.733 -8.008 1.00 0.00 H +ATOM 522 HA THR A 43 -1.577 4.718 -8.586 1.00 0.00 H +ATOM 523 HB THR A 43 -4.186 4.979 -7.065 1.00 0.00 H +ATOM 524 HG1 THR A 43 -3.477 4.970 -9.811 1.00 0.00 H +ATOM 525 HG21 THR A 43 -4.163 7.325 -7.814 1.00 0.00 H +ATOM 526 HG22 THR A 43 -2.557 7.089 -8.501 1.00 0.00 H +ATOM 527 HG23 THR A 43 -2.795 6.974 -6.757 1.00 0.00 H +ATOM 528 N CYS A 44 -1.948 4.137 -5.369 1.00 0.00 N +ATOM 529 CA CYS A 44 -1.390 4.385 -4.043 1.00 0.00 C +ATOM 530 C CYS A 44 0.020 3.821 -3.931 1.00 0.00 C +ATOM 531 O CYS A 44 0.816 4.288 -3.119 1.00 0.00 O +ATOM 532 CB CYS A 44 -2.291 3.784 -2.968 1.00 0.00 C +ATOM 533 SG CYS A 44 -2.931 4.983 -1.767 1.00 0.00 S +ATOM 534 H CYS A 44 -2.668 3.482 -5.470 1.00 0.00 H +ATOM 535 HA CYS A 44 -1.345 5.456 -3.901 1.00 0.00 H +ATOM 536 HB2 CYS A 44 -3.142 3.325 -3.444 1.00 0.00 H +ATOM 537 HB3 CYS A 44 -1.755 3.028 -2.416 1.00 0.00 H +ATOM 538 N TYR A 45 0.319 2.806 -4.740 1.00 0.00 N +ATOM 539 CA TYR A 45 1.673 2.272 -4.820 1.00 0.00 C +ATOM 540 C TYR A 45 2.607 3.362 -5.325 1.00 0.00 C +ATOM 541 O TYR A 45 3.706 3.545 -4.802 1.00 0.00 O +ATOM 542 CB TYR A 45 1.719 1.042 -5.741 1.00 0.00 C +ATOM 543 CG TYR A 45 3.126 0.583 -6.097 1.00 0.00 C +ATOM 544 CD1 TYR A 45 3.973 0.049 -5.128 1.00 0.00 C +ATOM 545 CD2 TYR A 45 3.608 0.686 -7.400 1.00 0.00 C +ATOM 546 CE1 TYR A 45 5.253 -0.365 -5.448 1.00 0.00 C +ATOM 547 CE2 TYR A 45 4.886 0.271 -7.725 1.00 0.00 C +ATOM 548 CZ TYR A 45 5.704 -0.254 -6.746 1.00 0.00 C +ATOM 549 OH TYR A 45 6.976 -0.672 -7.067 1.00 0.00 O +ATOM 550 H TYR A 45 -0.386 2.414 -5.301 1.00 0.00 H +ATOM 551 HA TYR A 45 1.977 1.982 -3.823 1.00 0.00 H +ATOM 552 HB2 TYR A 45 1.219 0.218 -5.250 1.00 0.00 H +ATOM 553 HB3 TYR A 45 1.196 1.270 -6.657 1.00 0.00 H +ATOM 554 HD1 TYR A 45 3.619 -0.039 -4.111 1.00 0.00 H +ATOM 555 HD2 TYR A 45 2.966 1.099 -8.165 1.00 0.00 H +ATOM 556 HE1 TYR A 45 5.894 -0.777 -4.681 1.00 0.00 H +ATOM 557 HE2 TYR A 45 5.240 0.361 -8.741 1.00 0.00 H +ATOM 558 HH TYR A 45 7.394 -0.023 -7.644 1.00 0.00 H +ATOM 559 N GLU A 46 2.142 4.098 -6.331 1.00 0.00 N +ATOM 560 CA GLU A 46 2.890 5.227 -6.863 1.00 0.00 C +ATOM 561 C GLU A 46 2.995 6.319 -5.799 1.00 0.00 C +ATOM 562 O GLU A 46 4.083 6.809 -5.509 1.00 0.00 O +ATOM 563 CB GLU A 46 2.211 5.775 -8.130 1.00 0.00 C +ATOM 564 CG GLU A 46 1.995 4.723 -9.218 1.00 0.00 C +ATOM 565 CD GLU A 46 1.403 5.302 -10.496 1.00 0.00 C +ATOM 566 OE1 GLU A 46 0.160 5.389 -10.608 1.00 0.00 O +ATOM 567 OE2 GLU A 46 2.179 5.675 -11.402 1.00 0.00 O +ATOM 568 H GLU A 46 1.271 3.875 -6.724 1.00 0.00 H +ATOM 569 HA GLU A 46 3.885 4.883 -7.113 1.00 0.00 H +ATOM 570 HB2 GLU A 46 1.248 6.184 -7.859 1.00 0.00 H +ATOM 571 HB3 GLU A 46 2.824 6.566 -8.541 1.00 0.00 H +ATOM 572 HG2 GLU A 46 2.946 4.266 -9.453 1.00 0.00 H +ATOM 573 HG3 GLU A 46 1.322 3.966 -8.838 1.00 0.00 H +ATOM 574 N GLU A 47 1.855 6.661 -5.196 1.00 0.00 N +ATOM 575 CA GLU A 47 1.789 7.714 -4.176 1.00 0.00 C +ATOM 576 C GLU A 47 2.776 7.449 -3.038 1.00 0.00 C +ATOM 577 O GLU A 47 3.520 8.339 -2.624 1.00 0.00 O +ATOM 578 CB GLU A 47 0.373 7.812 -3.594 1.00 0.00 C +ATOM 579 CG GLU A 47 -0.705 8.169 -4.609 1.00 0.00 C +ATOM 580 CD GLU A 47 -2.073 8.322 -3.960 1.00 0.00 C +ATOM 581 OE1 GLU A 47 -2.338 9.401 -3.386 1.00 0.00 O +ATOM 582 OE2 GLU A 47 -2.877 7.363 -4.000 1.00 0.00 O +ATOM 583 H GLU A 47 1.030 6.194 -5.448 1.00 0.00 H +ATOM 584 HA GLU A 47 2.042 8.652 -4.650 1.00 0.00 H +ATOM 585 HB2 GLU A 47 0.114 6.861 -3.150 1.00 0.00 H +ATOM 586 HB3 GLU A 47 0.370 8.568 -2.820 1.00 0.00 H +ATOM 587 HG2 GLU A 47 -0.440 9.102 -5.088 1.00 0.00 H +ATOM 588 HG3 GLU A 47 -0.758 7.387 -5.353 1.00 0.00 H +ATOM 589 N MET A 48 2.762 6.220 -2.536 1.00 0.00 N +ATOM 590 CA MET A 48 3.609 5.827 -1.414 1.00 0.00 C +ATOM 591 C MET A 48 5.075 5.814 -1.831 1.00 0.00 C +ATOM 592 O MET A 48 5.924 6.439 -1.188 1.00 0.00 O +ATOM 593 CB MET A 48 3.182 4.442 -0.894 1.00 0.00 C +ATOM 594 CG MET A 48 3.959 3.957 0.328 1.00 0.00 C +ATOM 595 SD MET A 48 5.691 3.591 -0.030 1.00 0.00 S +ATOM 596 CE MET A 48 6.303 3.196 1.607 1.00 0.00 C +ATOM 597 H MET A 48 2.167 5.554 -2.935 1.00 0.00 H +ATOM 598 HA MET A 48 3.476 6.555 -0.625 1.00 0.00 H +ATOM 599 HB2 MET A 48 2.134 4.479 -0.632 1.00 0.00 H +ATOM 600 HB3 MET A 48 3.315 3.718 -1.686 1.00 0.00 H +ATOM 601 HG2 MET A 48 3.920 4.723 1.089 1.00 0.00 H +ATOM 602 HG3 MET A 48 3.487 3.060 0.703 1.00 0.00 H +ATOM 603 HE1 MET A 48 5.767 2.343 1.997 1.00 0.00 H +ATOM 604 HE2 MET A 48 6.156 4.043 2.261 1.00 0.00 H +ATOM 605 HE3 MET A 48 7.356 2.964 1.550 1.00 0.00 H +ATOM 606 N LEU A 49 5.357 5.115 -2.927 1.00 0.00 N +ATOM 607 CA LEU A 49 6.723 4.951 -3.413 1.00 0.00 C +ATOM 608 C LEU A 49 7.341 6.306 -3.777 1.00 0.00 C +ATOM 609 O LEU A 49 8.560 6.481 -3.700 1.00 0.00 O +ATOM 610 CB LEU A 49 6.744 3.987 -4.610 1.00 0.00 C +ATOM 611 CG LEU A 49 8.138 3.667 -5.179 1.00 0.00 C +ATOM 612 CD1 LEU A 49 9.017 3.010 -4.118 1.00 0.00 C +ATOM 613 CD2 LEU A 49 8.027 2.778 -6.419 1.00 0.00 C +ATOM 614 H LEU A 49 4.624 4.696 -3.424 1.00 0.00 H +ATOM 615 HA LEU A 49 7.303 4.517 -2.609 1.00 0.00 H +ATOM 616 HB2 LEU A 49 6.282 3.054 -4.296 1.00 0.00 H +ATOM 617 HB3 LEU A 49 6.145 4.416 -5.400 1.00 0.00 H +ATOM 618 HG LEU A 49 8.615 4.591 -5.475 1.00 0.00 H +ATOM 619 HD11 LEU A 49 9.123 3.677 -3.275 1.00 0.00 H +ATOM 620 HD12 LEU A 49 9.992 2.803 -4.535 1.00 0.00 H +ATOM 621 HD13 LEU A 49 8.562 2.086 -3.792 1.00 0.00 H +ATOM 622 HD21 LEU A 49 7.548 1.846 -6.156 1.00 0.00 H +ATOM 623 HD22 LEU A 49 9.014 2.577 -6.809 1.00 0.00 H +ATOM 624 HD23 LEU A 49 7.440 3.283 -7.173 1.00 0.00 H +ATOM 625 N LYS A 50 6.492 7.258 -4.172 1.00 0.00 N +ATOM 626 CA LYS A 50 6.926 8.637 -4.412 1.00 0.00 C +ATOM 627 C LYS A 50 7.656 9.185 -3.191 1.00 0.00 C +ATOM 628 O LYS A 50 8.760 9.727 -3.297 1.00 0.00 O +ATOM 629 CB LYS A 50 5.723 9.544 -4.721 1.00 0.00 C +ATOM 630 CG LYS A 50 5.210 9.464 -6.153 1.00 0.00 C +ATOM 631 CD LYS A 50 3.877 10.200 -6.333 1.00 0.00 C +ATOM 632 CE LYS A 50 3.944 11.671 -5.911 1.00 0.00 C +ATOM 633 NZ LYS A 50 3.789 11.858 -4.439 1.00 0.00 N +ATOM 634 H LYS A 50 5.548 7.026 -4.309 1.00 0.00 H +ATOM 635 HA LYS A 50 7.600 8.637 -5.257 1.00 0.00 H +ATOM 636 HB2 LYS A 50 4.911 9.276 -4.060 1.00 0.00 H +ATOM 637 HB3 LYS A 50 6.004 10.570 -4.523 1.00 0.00 H +ATOM 638 HG2 LYS A 50 5.943 9.906 -6.813 1.00 0.00 H +ATOM 639 HG3 LYS A 50 5.073 8.425 -6.416 1.00 0.00 H +ATOM 640 HD2 LYS A 50 3.596 10.154 -7.376 1.00 0.00 H +ATOM 641 HD3 LYS A 50 3.122 9.700 -5.741 1.00 0.00 H +ATOM 642 HE2 LYS A 50 4.898 12.077 -6.213 1.00 0.00 H +ATOM 643 HE3 LYS A 50 3.154 12.212 -6.415 1.00 0.00 H +ATOM 644 HZ1 LYS A 50 3.857 12.867 -4.199 1.00 0.00 H +ATOM 645 HZ2 LYS A 50 4.533 11.346 -3.923 1.00 0.00 H +ATOM 646 HZ3 LYS A 50 2.861 11.505 -4.128 1.00 0.00 H +ATOM 647 N GLU A 51 7.030 9.032 -2.033 1.00 0.00 N +ATOM 648 CA GLU A 51 7.563 9.576 -0.794 1.00 0.00 C +ATOM 649 C GLU A 51 8.723 8.712 -0.299 1.00 0.00 C +ATOM 650 O GLU A 51 9.774 9.227 0.098 1.00 0.00 O +ATOM 651 CB GLU A 51 6.462 9.643 0.275 1.00 0.00 C +ATOM 652 CG GLU A 51 5.118 10.165 -0.233 1.00 0.00 C +ATOM 653 CD GLU A 51 5.219 11.519 -0.920 1.00 0.00 C +ATOM 654 OE1 GLU A 51 5.330 12.543 -0.214 1.00 0.00 O +ATOM 655 OE2 GLU A 51 5.173 11.565 -2.169 1.00 0.00 O +ATOM 656 H GLU A 51 6.186 8.533 -2.011 1.00 0.00 H +ATOM 657 HA GLU A 51 7.926 10.575 -0.993 1.00 0.00 H +ATOM 658 HB2 GLU A 51 6.306 8.652 0.672 1.00 0.00 H +ATOM 659 HB3 GLU A 51 6.794 10.290 1.076 1.00 0.00 H +ATOM 660 HG2 GLU A 51 4.711 9.450 -0.935 1.00 0.00 H +ATOM 661 HG3 GLU A 51 4.443 10.255 0.609 1.00 0.00 H +ATOM 662 N GLY A 52 8.526 7.395 -0.348 1.00 0.00 N +ATOM 663 CA GLY A 52 9.519 6.461 0.161 1.00 0.00 C +ATOM 664 C GLY A 52 9.616 6.517 1.672 1.00 0.00 C +ATOM 665 O GLY A 52 10.634 6.138 2.257 1.00 0.00 O +ATOM 666 H GLY A 52 7.695 7.051 -0.741 1.00 0.00 H +ATOM 667 HA2 GLY A 52 9.242 5.459 -0.138 1.00 0.00 H +ATOM 668 HA3 GLY A 52 10.483 6.702 -0.264 1.00 0.00 H +ATOM 669 N TYR A 53 8.543 6.989 2.296 1.00 0.00 N +ATOM 670 CA TYR A 53 8.496 7.193 3.741 1.00 0.00 C +ATOM 671 C TYR A 53 8.340 5.865 4.482 1.00 0.00 C +ATOM 672 O TYR A 53 8.105 4.824 3.864 1.00 0.00 O +ATOM 673 CB TYR A 53 7.347 8.154 4.102 1.00 0.00 C +ATOM 674 CG TYR A 53 5.945 7.578 3.936 1.00 0.00 C +ATOM 675 CD1 TYR A 53 5.440 7.232 2.685 1.00 0.00 C +ATOM 676 CD2 TYR A 53 5.119 7.396 5.039 1.00 0.00 C +ATOM 677 CE1 TYR A 53 4.166 6.720 2.543 1.00 0.00 C +ATOM 678 CE2 TYR A 53 3.844 6.882 4.903 1.00 0.00 C +ATOM 679 CZ TYR A 53 3.373 6.547 3.654 1.00 0.00 C +ATOM 680 OH TYR A 53 2.104 6.032 3.515 1.00 0.00 O +ATOM 681 H TYR A 53 7.756 7.205 1.765 1.00 0.00 H +ATOM 682 HA TYR A 53 9.433 7.644 4.039 1.00 0.00 H +ATOM 683 HB2 TYR A 53 7.458 8.456 5.133 1.00 0.00 H +ATOM 684 HB3 TYR A 53 7.419 9.032 3.474 1.00 0.00 H +ATOM 685 HD1 TYR A 53 6.058 7.363 1.814 1.00 0.00 H +ATOM 686 HD2 TYR A 53 5.487 7.661 6.020 1.00 0.00 H +ATOM 687 HE1 TYR A 53 3.796 6.458 1.562 1.00 0.00 H +ATOM 688 HE2 TYR A 53 3.222 6.746 5.775 1.00 0.00 H +ATOM 689 HH TYR A 53 1.487 6.563 4.030 1.00 0.00 H +ATOM 690 N ARG A 54 8.476 5.912 5.807 1.00 0.00 N +ATOM 691 CA ARG A 54 8.336 4.721 6.645 1.00 0.00 C +ATOM 692 C ARG A 54 6.932 4.136 6.489 1.00 0.00 C +ATOM 693 O ARG A 54 5.940 4.836 6.689 1.00 0.00 O +ATOM 694 CB ARG A 54 8.601 5.051 8.128 1.00 0.00 C +ATOM 695 CG ARG A 54 10.074 5.257 8.499 1.00 0.00 C +ATOM 696 CD ARG A 54 10.710 6.433 7.766 1.00 0.00 C +ATOM 697 NE ARG A 54 12.017 6.783 8.329 1.00 0.00 N +ATOM 698 CZ ARG A 54 13.143 6.897 7.623 1.00 0.00 C +ATOM 699 NH1 ARG A 54 13.154 6.640 6.323 1.00 0.00 N +ATOM 700 NH2 ARG A 54 14.265 7.258 8.226 1.00 0.00 N +ATOM 701 H ARG A 54 8.658 6.775 6.234 1.00 0.00 H +ATOM 702 HA ARG A 54 9.060 3.991 6.310 1.00 0.00 H +ATOM 703 HB2 ARG A 54 8.064 5.955 8.381 1.00 0.00 H +ATOM 704 HB3 ARG A 54 8.215 4.242 8.735 1.00 0.00 H +ATOM 705 HG2 ARG A 54 10.141 5.438 9.562 1.00 0.00 H +ATOM 706 HG3 ARG A 54 10.621 4.356 8.256 1.00 0.00 H +ATOM 707 HD2 ARG A 54 10.832 6.170 6.724 1.00 0.00 H +ATOM 708 HD3 ARG A 54 10.055 7.289 7.846 1.00 0.00 H +ATOM 709 HE ARG A 54 12.050 6.964 9.295 1.00 0.00 H +ATOM 710 HH11 ARG A 54 12.313 6.356 5.854 1.00 0.00 H +ATOM 711 HH12 ARG A 54 14.006 6.734 5.799 1.00 0.00 H +ATOM 712 HH21 ARG A 54 14.269 7.452 9.212 1.00 0.00 H +ATOM 713 HH22 ARG A 54 15.117 7.339 7.699 1.00 0.00 H +ATOM 714 N CYS A 55 6.856 2.862 6.127 1.00 0.00 N +ATOM 715 CA CYS A 55 5.576 2.204 5.880 1.00 0.00 C +ATOM 716 C CYS A 55 4.727 2.103 7.153 1.00 0.00 C +ATOM 717 O CYS A 55 5.035 1.315 8.050 1.00 0.00 O +ATOM 718 CB CYS A 55 5.796 0.812 5.285 1.00 0.00 C +ATOM 719 SG CYS A 55 7.198 -0.114 5.976 1.00 0.00 S +ATOM 720 H CYS A 55 7.685 2.346 6.027 1.00 0.00 H +ATOM 721 HA CYS A 55 5.039 2.802 5.156 1.00 0.00 H +ATOM 722 HB2 CYS A 55 4.913 0.213 5.472 1.00 0.00 H +ATOM 723 HB3 CYS A 55 5.950 0.899 4.219 1.00 0.00 H +ATOM 724 N PRO A 56 3.615 2.869 7.227 1.00 0.00 N +ATOM 725 CA PRO A 56 2.758 2.908 8.419 1.00 0.00 C +ATOM 726 C PRO A 56 2.037 1.581 8.652 1.00 0.00 C +ATOM 727 O PRO A 56 1.718 1.230 9.784 1.00 0.00 O +ATOM 728 CB PRO A 56 1.753 4.030 8.106 1.00 0.00 C +ATOM 729 CG PRO A 56 1.713 4.094 6.617 1.00 0.00 C +ATOM 730 CD PRO A 56 3.106 3.753 6.156 1.00 0.00 C +ATOM 731 HA PRO A 56 3.326 3.165 9.303 1.00 0.00 H +ATOM 732 HB2 PRO A 56 0.785 3.785 8.522 1.00 0.00 H +ATOM 733 HB3 PRO A 56 2.104 4.961 8.531 1.00 0.00 H +ATOM 734 HG2 PRO A 56 1.003 3.371 6.236 1.00 0.00 H +ATOM 735 HG3 PRO A 56 1.443 5.090 6.296 1.00 0.00 H +ATOM 736 HD2 PRO A 56 3.075 3.234 5.208 1.00 0.00 H +ATOM 737 HD3 PRO A 56 3.709 4.647 6.078 1.00 0.00 H +ATOM 738 N LEU A 57 1.819 0.822 7.574 1.00 0.00 N +ATOM 739 CA LEU A 57 1.100 -0.449 7.664 1.00 0.00 C +ATOM 740 C LEU A 57 1.847 -1.431 8.571 1.00 0.00 C +ATOM 741 O LEU A 57 1.276 -2.408 9.047 1.00 0.00 O +ATOM 742 CB LEU A 57 0.886 -1.074 6.272 1.00 0.00 C +ATOM 743 CG LEU A 57 0.092 -0.217 5.260 1.00 0.00 C +ATOM 744 CD1 LEU A 57 1.013 0.722 4.474 1.00 0.00 C +ATOM 745 CD2 LEU A 57 -0.720 -1.100 4.313 1.00 0.00 C +ATOM 746 H LEU A 57 2.151 1.122 6.707 1.00 0.00 H +ATOM 747 HA LEU A 57 0.133 -0.245 8.105 1.00 0.00 H +ATOM 748 HB2 LEU A 57 1.857 -1.292 5.846 1.00 0.00 H +ATOM 749 HB3 LEU A 57 0.360 -2.010 6.405 1.00 0.00 H +ATOM 750 HG LEU A 57 -0.606 0.402 5.806 1.00 0.00 H +ATOM 751 HD11 LEU A 57 0.439 1.235 3.716 1.00 0.00 H +ATOM 752 HD12 LEU A 57 1.800 0.150 4.003 1.00 0.00 H +ATOM 753 HD13 LEU A 57 1.448 1.449 5.143 1.00 0.00 H +ATOM 754 HD21 LEU A 57 -1.284 -0.477 3.633 1.00 0.00 H +ATOM 755 HD22 LEU A 57 -1.401 -1.713 4.885 1.00 0.00 H +ATOM 756 HD23 LEU A 57 -0.055 -1.736 3.749 1.00 0.00 H +ATOM 757 N CYS A 58 3.127 -1.148 8.812 1.00 0.00 N +ATOM 758 CA CYS A 58 3.970 -1.979 9.683 1.00 0.00 C +ATOM 759 C CYS A 58 3.460 -2.004 11.134 1.00 0.00 C +ATOM 760 O CYS A 58 3.922 -2.814 11.939 1.00 0.00 O +ATOM 761 CB CYS A 58 5.429 -1.489 9.636 1.00 0.00 C +ATOM 762 SG CYS A 58 6.577 -2.639 8.817 1.00 0.00 S +ATOM 763 H CYS A 58 3.524 -0.358 8.386 1.00 0.00 H +ATOM 764 HA CYS A 58 3.936 -2.988 9.297 1.00 0.00 H +ATOM 765 HB2 CYS A 58 5.465 -0.557 9.075 1.00 0.00 H +ATOM 766 HB3 CYS A 58 5.791 -1.317 10.640 1.00 0.00 H +ATOM 767 N MET A 59 2.523 -1.111 11.473 1.00 0.00 N +ATOM 768 CA MET A 59 1.974 -1.055 12.835 1.00 0.00 C +ATOM 769 C MET A 59 0.748 -1.961 12.979 1.00 0.00 C +ATOM 770 O MET A 59 0.332 -2.283 14.096 1.00 0.00 O +ATOM 771 CB MET A 59 1.588 0.384 13.214 1.00 0.00 C +ATOM 772 CG MET A 59 0.378 0.926 12.456 1.00 0.00 C +ATOM 773 SD MET A 59 -0.134 2.556 13.028 1.00 0.00 S +ATOM 774 CE MET A 59 -0.650 2.179 14.701 1.00 0.00 C +ATOM 775 H MET A 59 2.202 -0.473 10.802 1.00 0.00 H +ATOM 776 HA MET A 59 2.739 -1.400 13.516 1.00 0.00 H +ATOM 777 HB2 MET A 59 1.366 0.418 14.271 1.00 0.00 H +ATOM 778 HB3 MET A 59 2.429 1.033 13.014 1.00 0.00 H +ATOM 779 HG2 MET A 59 0.626 0.992 11.409 1.00 0.00 H +ATOM 780 HG3 MET A 59 -0.448 0.240 12.584 1.00 0.00 H +ATOM 781 HE1 MET A 59 -1.457 1.461 14.676 1.00 0.00 H +ATOM 782 HE2 MET A 59 -0.987 3.083 15.186 1.00 0.00 H +ATOM 783 HE3 MET A 59 0.183 1.767 15.251 1.00 0.00 H +ATOM 784 N HIS A 60 0.171 -2.370 11.852 1.00 0.00 N +ATOM 785 CA HIS A 60 -1.062 -3.155 11.857 1.00 0.00 C +ATOM 786 C HIS A 60 -0.869 -4.445 11.063 1.00 0.00 C +ATOM 787 O HIS A 60 -0.435 -4.413 9.910 1.00 0.00 O +ATOM 788 CB HIS A 60 -2.218 -2.329 11.267 1.00 0.00 C +ATOM 789 CG HIS A 60 -3.561 -3.003 11.339 1.00 0.00 C +ATOM 790 ND1 HIS A 60 -4.526 -2.664 12.264 1.00 0.00 N +ATOM 791 CD2 HIS A 60 -4.103 -3.989 10.584 1.00 0.00 C +ATOM 792 CE1 HIS A 60 -5.598 -3.410 12.074 1.00 0.00 C +ATOM 793 NE2 HIS A 60 -5.368 -4.221 11.061 1.00 0.00 N +ATOM 794 H HIS A 60 0.595 -2.158 10.993 1.00 0.00 H +ATOM 795 HA HIS A 60 -1.296 -3.407 12.883 1.00 0.00 H +ATOM 796 HB2 HIS A 60 -2.292 -1.394 11.805 1.00 0.00 H +ATOM 797 HB3 HIS A 60 -2.008 -2.119 10.228 1.00 0.00 H +ATOM 798 HD1 HIS A 60 -4.438 -1.976 12.959 1.00 0.00 H +ATOM 799 HD2 HIS A 60 -3.626 -4.499 9.758 1.00 0.00 H +ATOM 800 HE1 HIS A 60 -6.510 -3.363 12.651 1.00 0.00 H +ATOM 801 HE2 HIS A 60 -5.939 -4.982 10.806 1.00 0.00 H +ATOM 802 N SER A 61 -1.198 -5.569 11.684 1.00 0.00 N +ATOM 803 CA SER A 61 -1.053 -6.875 11.056 1.00 0.00 C +ATOM 804 C SER A 61 -1.959 -7.895 11.756 1.00 0.00 C +ATOM 805 O SER A 61 -1.527 -8.497 12.763 1.00 0.00 O +ATOM 806 CB SER A 61 0.423 -7.313 11.090 1.00 0.00 C +ATOM 807 OG SER A 61 0.977 -7.161 12.390 1.00 0.00 O +ATOM 808 OXT SER A 61 -3.116 -8.065 11.317 1.00 0.00 O +ATOM 809 H SER A 61 -1.558 -5.523 12.597 1.00 0.00 H +ATOM 810 HA SER A 61 -1.368 -6.782 10.025 1.00 0.00 H +ATOM 811 HB2 SER A 61 0.497 -8.352 10.802 1.00 0.00 H +ATOM 812 HB3 SER A 61 0.992 -6.709 10.397 1.00 0.00 H +ATOM 813 HG SER A 61 0.365 -7.527 13.040 1.00 0.00 H Added: SwiftApps/modFTdock/input/indata/2jy5-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2jy5-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2jy5-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,784 @@ +ATOM 1 N GLY A 536 -19.286 18.366 2.103 1.00 0.00 N +ATOM 2 CA GLY A 536 -20.653 18.510 2.674 1.00 0.00 C +ATOM 3 C GLY A 536 -21.435 17.211 2.641 1.00 0.00 C +ATOM 4 O GLY A 536 -21.598 16.552 3.668 1.00 0.00 O +ATOM 5 H1 GLY A 536 -18.747 17.656 2.642 1.00 0.00 H +ATOM 6 H2 GLY A 536 -18.783 19.275 2.149 1.00 0.00 H +ATOM 7 H3 GLY A 536 -19.342 18.062 1.110 1.00 0.00 H +ATOM 8 HA2 GLY A 536 -20.573 18.844 3.698 1.00 0.00 H +ATOM 9 HA3 GLY A 536 -21.192 19.255 2.106 1.00 0.00 H +ATOM 10 N SER A 537 -21.919 16.842 1.459 1.00 0.00 N +ATOM 11 CA SER A 537 -22.687 15.614 1.297 1.00 0.00 C +ATOM 12 C SER A 537 -22.666 15.142 -0.157 1.00 0.00 C +ATOM 13 O SER A 537 -23.669 15.241 -0.864 1.00 0.00 O +ATOM 14 CB SER A 537 -24.130 15.827 1.757 1.00 0.00 C +ATOM 15 OG SER A 537 -24.749 16.873 1.028 1.00 0.00 O +ATOM 16 H SER A 537 -21.755 17.411 0.677 1.00 0.00 H +ATOM 17 HA SER A 537 -22.231 14.856 1.916 1.00 0.00 H +ATOM 18 HB2 SER A 537 -24.693 14.917 1.604 1.00 0.00 H +ATOM 19 HB3 SER A 537 -24.138 16.083 2.807 1.00 0.00 H +ATOM 20 HG SER A 537 -25.189 17.471 1.637 1.00 0.00 H +ATOM 21 N PRO A 538 -21.515 14.622 -0.622 1.00 0.00 N +ATOM 22 CA PRO A 538 -21.370 14.130 -1.994 1.00 0.00 C +ATOM 23 C PRO A 538 -21.954 12.732 -2.163 1.00 0.00 C +ATOM 24 O PRO A 538 -22.501 12.161 -1.220 1.00 0.00 O +ATOM 25 CB PRO A 538 -19.856 14.100 -2.186 1.00 0.00 C +ATOM 26 CG PRO A 538 -19.316 13.822 -0.825 1.00 0.00 C +ATOM 27 CD PRO A 538 -20.263 14.478 0.148 1.00 0.00 C +ATOM 28 HA PRO A 538 -21.818 14.802 -2.711 1.00 0.00 H +ATOM 29 HB2 PRO A 538 -19.593 13.320 -2.886 1.00 0.00 H +ATOM 30 HB3 PRO A 538 -19.519 15.057 -2.556 1.00 0.00 H +ATOM 31 HG2 PRO A 538 -19.283 12.756 -0.655 1.00 0.00 H +ATOM 32 HG3 PRO A 538 -18.328 14.247 -0.729 1.00 0.00 H +ATOM 33 HD2 PRO A 538 -20.413 13.844 1.009 1.00 0.00 H +ATOM 34 HD3 PRO A 538 -19.883 15.442 0.449 1.00 0.00 H +ATOM 35 N GLU A 539 -21.838 12.185 -3.369 1.00 0.00 N +ATOM 36 CA GLU A 539 -22.352 10.851 -3.654 1.00 0.00 C +ATOM 37 C GLU A 539 -21.212 9.840 -3.715 1.00 0.00 C +ATOM 38 O GLU A 539 -20.321 9.939 -4.559 1.00 0.00 O +ATOM 39 CB GLU A 539 -23.132 10.851 -4.972 1.00 0.00 C +ATOM 40 CG GLU A 539 -22.366 11.457 -6.135 1.00 0.00 C +ATOM 41 CD GLU A 539 -23.174 11.478 -7.418 1.00 0.00 C +ATOM 42 OE1 GLU A 539 -23.944 12.442 -7.619 1.00 0.00 O +ATOM 43 OE2 GLU A 539 -23.038 10.532 -8.221 1.00 0.00 O +ATOM 44 H GLU A 539 -21.391 12.682 -4.086 1.00 0.00 H +ATOM 45 HA GLU A 539 -23.018 10.574 -2.850 1.00 0.00 H +ATOM 46 HB2 GLU A 539 -23.385 9.833 -5.227 1.00 0.00 H +ATOM 47 HB3 GLU A 539 -24.042 11.415 -4.835 1.00 0.00 H +ATOM 48 HG2 GLU A 539 -22.096 12.472 -5.882 1.00 0.00 H +ATOM 49 HG3 GLU A 539 -21.470 10.878 -6.301 1.00 0.00 H +ATOM 50 N PHE A 540 -21.245 8.867 -2.810 1.00 0.00 N +ATOM 51 CA PHE A 540 -20.213 7.837 -2.748 1.00 0.00 C +ATOM 52 C PHE A 540 -20.107 7.068 -4.064 1.00 0.00 C +ATOM 53 O PHE A 540 -19.155 6.320 -4.276 1.00 0.00 O +ATOM 54 CB PHE A 540 -20.497 6.866 -1.600 1.00 0.00 C +ATOM 55 CG PHE A 540 -20.466 7.512 -0.244 1.00 0.00 C +ATOM 56 CD1 PHE A 540 -19.262 7.866 0.342 1.00 0.00 C +ATOM 57 CD2 PHE A 540 -21.642 7.763 0.446 1.00 0.00 C +ATOM 58 CE1 PHE A 540 -19.229 8.459 1.589 1.00 0.00 C +ATOM 59 CE2 PHE A 540 -21.616 8.357 1.694 1.00 0.00 C +ATOM 60 CZ PHE A 540 -20.408 8.704 2.266 1.00 0.00 C +ATOM 61 H PHE A 540 -21.980 8.845 -2.161 1.00 0.00 H +ATOM 62 HA PHE A 540 -19.270 8.329 -2.560 1.00 0.00 H +ATOM 63 HB2 PHE A 540 -21.477 6.434 -1.740 1.00 0.00 H +ATOM 64 HB3 PHE A 540 -19.757 6.080 -1.612 1.00 0.00 H +ATOM 65 HD1 PHE A 540 -18.340 7.676 -0.186 1.00 0.00 H +ATOM 66 HD2 PHE A 540 -22.588 7.492 0.000 1.00 0.00 H +ATOM 67 HE1 PHE A 540 -18.284 8.731 2.034 1.00 0.00 H +ATOM 68 HE2 PHE A 540 -22.539 8.547 2.222 1.00 0.00 H +ATOM 69 HZ PHE A 540 -20.385 9.168 3.241 1.00 0.00 H +ATOM 70 N GLN A 541 -21.087 7.251 -4.941 1.00 0.00 N +ATOM 71 CA GLN A 541 -21.092 6.571 -6.234 1.00 0.00 C +ATOM 72 C GLN A 541 -19.881 6.959 -7.079 1.00 0.00 C +ATOM 73 O GLN A 541 -19.147 6.095 -7.559 1.00 0.00 O +ATOM 74 CB GLN A 541 -22.379 6.897 -6.998 1.00 0.00 C +ATOM 75 CG GLN A 541 -22.280 6.626 -8.491 1.00 0.00 C +ATOM 76 CD GLN A 541 -23.597 6.835 -9.213 1.00 0.00 C +ATOM 77 OE1 GLN A 541 -23.900 7.937 -9.668 1.00 0.00 O +ATOM 78 NE2 GLN A 541 -24.386 5.772 -9.323 1.00 0.00 N +ATOM 79 H GLN A 541 -21.833 7.844 -4.716 1.00 0.00 H +ATOM 80 HA GLN A 541 -21.058 5.509 -6.047 1.00 0.00 H +ATOM 81 HB2 GLN A 541 -23.183 6.298 -6.596 1.00 0.00 H +ATOM 82 HB3 GLN A 541 -22.612 7.942 -6.857 1.00 0.00 H +ATOM 83 HG2 GLN A 541 -21.545 7.294 -8.914 1.00 0.00 H +ATOM 84 HG3 GLN A 541 -21.962 5.605 -8.637 1.00 0.00 H +ATOM 85 HE21 GLN A 541 -24.079 4.926 -8.936 1.00 0.00 H +ATOM 86 HE22 GLN A 541 -25.242 5.878 -9.786 1.00 0.00 H +ATOM 87 N ASN A 542 -19.681 8.262 -7.259 1.00 0.00 N +ATOM 88 CA ASN A 542 -18.570 8.763 -8.061 1.00 0.00 C +ATOM 89 C ASN A 542 -17.239 8.174 -7.592 1.00 0.00 C +ATOM 90 O ASN A 542 -16.984 8.083 -6.391 1.00 0.00 O +ATOM 91 CB ASN A 542 -18.517 10.290 -7.997 1.00 0.00 C +ATOM 92 CG ASN A 542 -19.729 10.939 -8.638 1.00 0.00 C +ATOM 93 OD1 ASN A 542 -20.332 10.384 -9.556 1.00 0.00 O +ATOM 94 ND2 ASN A 542 -20.088 12.124 -8.157 1.00 0.00 N +ATOM 95 H ASN A 542 -20.290 8.903 -6.836 1.00 0.00 H +ATOM 96 HA ASN A 542 -18.745 8.463 -9.082 1.00 0.00 H +ATOM 97 HB2 ASN A 542 -18.472 10.600 -6.963 1.00 0.00 H +ATOM 98 HB3 ASN A 542 -17.632 10.636 -8.511 1.00 0.00 H +ATOM 99 HD21 ASN A 542 -19.560 12.506 -7.426 1.00 0.00 H +ATOM 100 HD22 ASN A 542 -20.868 12.565 -8.554 1.00 0.00 H +ATOM 101 N PRO A 543 -16.368 7.765 -8.538 1.00 0.00 N +ATOM 102 CA PRO A 543 -15.067 7.182 -8.210 1.00 0.00 C +ATOM 103 C PRO A 543 -14.037 8.239 -7.832 1.00 0.00 C +ATOM 104 O PRO A 543 -12.862 7.932 -7.628 1.00 0.00 O +ATOM 105 CB PRO A 543 -14.669 6.480 -9.506 1.00 0.00 C +ATOM 106 CG PRO A 543 -15.304 7.292 -10.582 1.00 0.00 C +ATOM 107 CD PRO A 543 -16.581 7.844 -9.999 1.00 0.00 C +ATOM 108 HA PRO A 543 -15.147 6.456 -7.413 1.00 0.00 H +ATOM 109 HB2 PRO A 543 -13.592 6.472 -9.599 1.00 0.00 H +ATOM 110 HB3 PRO A 543 -15.043 5.468 -9.502 1.00 0.00 H +ATOM 111 HG2 PRO A 543 -14.646 8.097 -10.869 1.00 0.00 H +ATOM 112 HG3 PRO A 543 -15.524 6.664 -11.433 1.00 0.00 H +ATOM 113 HD2 PRO A 543 -16.723 8.867 -10.312 1.00 0.00 H +ATOM 114 HD3 PRO A 543 -17.423 7.237 -10.298 1.00 0.00 H +ATOM 115 N GLU A 544 -14.484 9.486 -7.750 1.00 0.00 N +ATOM 116 CA GLU A 544 -13.603 10.593 -7.393 1.00 0.00 C +ATOM 117 C GLU A 544 -13.284 10.520 -5.913 1.00 0.00 C +ATOM 118 O GLU A 544 -12.122 10.517 -5.509 1.00 0.00 O +ATOM 119 CB GLU A 544 -14.240 11.941 -7.751 1.00 0.00 C +ATOM 120 CG GLU A 544 -15.626 12.151 -7.161 1.00 0.00 C +ATOM 121 CD GLU A 544 -16.254 13.459 -7.602 1.00 0.00 C +ATOM 122 OE1 GLU A 544 -16.015 14.487 -6.934 1.00 0.00 O +ATOM 123 OE2 GLU A 544 -16.985 13.455 -8.614 1.00 0.00 O +ATOM 124 H GLU A 544 -15.432 9.656 -7.906 1.00 0.00 H +ATOM 125 HA GLU A 544 -12.686 10.476 -7.952 1.00 0.00 H +ATOM 126 HB2 GLU A 544 -13.601 12.731 -7.393 1.00 0.00 H +ATOM 127 HB3 GLU A 544 -14.316 12.016 -8.823 1.00 0.00 H +ATOM 128 HG2 GLU A 544 -16.263 11.339 -7.473 1.00 0.00 H +ATOM 129 HG3 GLU A 544 -15.548 12.153 -6.083 1.00 0.00 H +ATOM 130 N VAL A 545 -14.331 10.472 -5.107 1.00 0.00 N +ATOM 131 CA VAL A 545 -14.167 10.365 -3.675 1.00 0.00 C +ATOM 132 C VAL A 545 -13.443 9.065 -3.368 1.00 0.00 C +ATOM 133 O VAL A 545 -12.573 9.007 -2.500 1.00 0.00 O +ATOM 134 CB VAL A 545 -15.525 10.389 -2.944 1.00 0.00 C +ATOM 135 CG1 VAL A 545 -15.335 10.234 -1.443 1.00 0.00 C +ATOM 136 CG2 VAL A 545 -16.276 11.675 -3.257 1.00 0.00 C +ATOM 137 H VAL A 545 -15.229 10.539 -5.495 1.00 0.00 H +ATOM 138 HA VAL A 545 -13.568 11.197 -3.334 1.00 0.00 H +ATOM 139 HB VAL A 545 -16.118 9.559 -3.296 1.00 0.00 H +ATOM 140 HG11 VAL A 545 -14.822 9.306 -1.240 1.00 0.00 H +ATOM 141 HG12 VAL A 545 -16.300 10.228 -0.958 1.00 0.00 H +ATOM 142 HG13 VAL A 545 -14.749 11.060 -1.067 1.00 0.00 H +ATOM 143 HG21 VAL A 545 -17.217 11.683 -2.726 1.00 0.00 H +ATOM 144 HG22 VAL A 545 -16.462 11.735 -4.320 1.00 0.00 H +ATOM 145 HG23 VAL A 545 -15.682 12.524 -2.948 1.00 0.00 H +ATOM 146 N ARG A 546 -13.830 8.023 -4.108 1.00 0.00 N +ATOM 147 CA ARG A 546 -13.251 6.718 -3.957 1.00 0.00 C +ATOM 148 C ARG A 546 -13.588 6.179 -2.583 1.00 0.00 C +ATOM 149 O ARG A 546 -12.862 5.375 -2.018 1.00 0.00 O +ATOM 150 CB ARG A 546 -11.763 6.828 -4.170 1.00 0.00 C +ATOM 151 CG ARG A 546 -11.331 6.290 -5.504 1.00 0.00 C +ATOM 152 CD ARG A 546 -10.178 7.093 -6.088 1.00 0.00 C +ATOM 153 NE ARG A 546 -10.536 8.474 -6.396 1.00 0.00 N +ATOM 154 CZ ARG A 546 -9.661 9.371 -6.847 1.00 0.00 C +ATOM 155 NH1 ARG A 546 -8.388 9.031 -7.014 1.00 0.00 N +ATOM 156 NH2 ARG A 546 -10.052 10.605 -7.133 1.00 0.00 N +ATOM 157 H ARG A 546 -14.573 8.142 -4.698 1.00 0.00 H +ATOM 158 HA ARG A 546 -13.676 6.072 -4.709 1.00 0.00 H +ATOM 159 HB2 ARG A 546 -11.515 7.872 -4.138 1.00 0.00 H +ATOM 160 HB3 ARG A 546 -11.238 6.298 -3.388 1.00 0.00 H +ATOM 161 HG2 ARG A 546 -11.015 5.252 -5.385 1.00 0.00 H +ATOM 162 HG3 ARG A 546 -12.184 6.357 -6.167 1.00 0.00 H +ATOM 163 HD2 ARG A 546 -9.366 7.097 -5.374 1.00 0.00 H +ATOM 164 HD3 ARG A 546 -9.850 6.608 -6.996 1.00 0.00 H +ATOM 165 HE ARG A 546 -11.470 8.742 -6.270 1.00 0.00 H +ATOM 166 HH11 ARG A 546 -8.086 8.103 -6.800 1.00 0.00 H +ATOM 167 HH12 ARG A 546 -7.731 9.706 -7.352 1.00 0.00 H +ATOM 168 HH21 ARG A 546 -11.007 10.869 -7.014 1.00 0.00 H +ATOM 169 HH22 ARG A 546 -9.387 11.274 -7.470 1.00 0.00 H +ATOM 170 N PHE A 547 -14.739 6.593 -2.074 1.00 0.00 N +ATOM 171 CA PHE A 547 -15.158 6.189 -0.750 1.00 0.00 C +ATOM 172 C PHE A 547 -14.162 6.758 0.266 1.00 0.00 C +ATOM 173 O PHE A 547 -14.032 6.265 1.382 1.00 0.00 O +ATOM 174 CB PHE A 547 -15.251 4.659 -0.673 1.00 0.00 C +ATOM 175 CG PHE A 547 -16.538 4.140 -0.079 1.00 0.00 C +ATOM 176 CD1 PHE A 547 -17.095 4.718 1.054 1.00 0.00 C +ATOM 177 CD2 PHE A 547 -17.182 3.056 -0.651 1.00 0.00 C +ATOM 178 CE1 PHE A 547 -18.270 4.224 1.598 1.00 0.00 C +ATOM 179 CE2 PHE A 547 -18.353 2.555 -0.109 1.00 0.00 C +ATOM 180 CZ PHE A 547 -18.897 3.139 1.016 1.00 0.00 C +ATOM 181 H PHE A 547 -15.341 7.136 -2.623 1.00 0.00 H +ATOM 182 HA PHE A 547 -16.133 6.617 -0.563 1.00 0.00 H +ATOM 183 HB2 PHE A 547 -15.164 4.248 -1.668 1.00 0.00 H +ATOM 184 HB3 PHE A 547 -14.433 4.290 -0.085 1.00 0.00 H +ATOM 185 HD1 PHE A 547 -16.605 5.561 1.511 1.00 0.00 H +ATOM 186 HD2 PHE A 547 -16.760 2.594 -1.533 1.00 0.00 H +ATOM 187 HE1 PHE A 547 -18.691 4.684 2.479 1.00 0.00 H +ATOM 188 HE2 PHE A 547 -18.843 1.704 -0.565 1.00 0.00 H +ATOM 189 HZ PHE A 547 -19.811 2.745 1.442 1.00 0.00 H +ATOM 190 N GLN A 548 -13.415 7.765 -0.214 1.00 0.00 N +ATOM 191 CA GLN A 548 -12.416 8.521 0.547 1.00 0.00 C +ATOM 192 C GLN A 548 -11.743 7.724 1.652 1.00 0.00 C +ATOM 193 O GLN A 548 -10.613 7.257 1.506 1.00 0.00 O +ATOM 194 CB GLN A 548 -13.054 9.778 1.141 1.00 0.00 C +ATOM 195 CG GLN A 548 -12.613 11.064 0.460 1.00 0.00 C +ATOM 196 CD GLN A 548 -13.262 12.299 1.057 1.00 0.00 C +ATOM 197 OE1 GLN A 548 -13.495 13.289 0.362 1.00 0.00 O +ATOM 198 NE2 GLN A 548 -13.551 12.252 2.353 1.00 0.00 N +ATOM 199 H GLN A 548 -13.498 7.969 -1.158 1.00 0.00 H +ATOM 200 HA GLN A 548 -11.654 8.832 -0.150 1.00 0.00 H +ATOM 201 HB2 GLN A 548 -14.127 9.698 1.052 1.00 0.00 H +ATOM 202 HB3 GLN A 548 -12.791 9.841 2.187 1.00 0.00 H +ATOM 203 HG2 GLN A 548 -11.542 11.158 0.555 1.00 0.00 H +ATOM 204 HG3 GLN A 548 -12.876 11.008 -0.586 1.00 0.00 H +ATOM 205 HE21 GLN A 548 -13.335 11.433 2.847 1.00 0.00 H +ATOM 206 HE22 GLN A 548 -13.970 13.037 2.762 1.00 0.00 H +ATOM 207 N GLN A 549 -12.450 7.583 2.752 1.00 0.00 N +ATOM 208 CA GLN A 549 -11.918 6.880 3.921 1.00 0.00 C +ATOM 209 C GLN A 549 -11.838 5.388 3.651 1.00 0.00 C +ATOM 210 O GLN A 549 -10.808 4.750 3.865 1.00 0.00 O +ATOM 211 CB GLN A 549 -12.793 7.146 5.147 1.00 0.00 C +ATOM 212 CG GLN A 549 -12.942 8.621 5.481 1.00 0.00 C +ATOM 213 CD GLN A 549 -11.611 9.299 5.758 1.00 0.00 C +ATOM 214 OE1 GLN A 549 -11.442 10.489 5.490 1.00 0.00 O +ATOM 215 NE2 GLN A 549 -10.659 8.545 6.298 1.00 0.00 N +ATOM 216 H GLN A 549 -13.374 7.911 2.751 1.00 0.00 H +ATOM 217 HA GLN A 549 -10.923 7.254 4.110 1.00 0.00 H +ATOM 218 HB2 GLN A 549 -13.773 6.738 4.971 1.00 0.00 H +ATOM 219 HB3 GLN A 549 -12.361 6.647 5.997 1.00 0.00 H +ATOM 220 HG2 GLN A 549 -13.413 9.118 4.647 1.00 0.00 H +ATOM 221 HG3 GLN A 549 -13.568 8.718 6.357 1.00 0.00 H +ATOM 222 HE21 GLN A 549 -10.861 7.606 6.487 1.00 0.00 H +ATOM 223 HE22 GLN A 549 -9.791 8.962 6.485 1.00 0.00 H +ATOM 224 N GLN A 550 -12.947 4.843 3.186 1.00 0.00 N +ATOM 225 CA GLN A 550 -13.011 3.450 2.850 1.00 0.00 C +ATOM 226 C GLN A 550 -11.855 3.115 1.908 1.00 0.00 C +ATOM 227 O GLN A 550 -11.204 2.066 2.021 1.00 0.00 O +ATOM 228 CB GLN A 550 -14.337 3.171 2.207 1.00 0.00 C +ATOM 229 CG GLN A 550 -15.472 2.971 3.182 1.00 0.00 C +ATOM 230 CD GLN A 550 -15.141 2.095 4.371 1.00 0.00 C +ATOM 231 OE1 GLN A 550 -14.474 2.526 5.311 1.00 0.00 O +ATOM 232 NE2 GLN A 550 -15.657 0.876 4.355 1.00 0.00 N +ATOM 233 H GLN A 550 -13.745 5.398 3.138 1.00 0.00 H +ATOM 234 HA GLN A 550 -12.933 2.880 3.758 1.00 0.00 H +ATOM 235 HB2 GLN A 550 -14.589 4.016 1.600 1.00 0.00 H +ATOM 236 HB3 GLN A 550 -14.249 2.318 1.593 1.00 0.00 H +ATOM 237 HG2 GLN A 550 -15.747 3.927 3.543 1.00 0.00 H +ATOM 238 HG3 GLN A 550 -16.309 2.535 2.655 1.00 0.00 H +ATOM 239 HE21 GLN A 550 -16.213 0.624 3.587 1.00 0.00 H +ATOM 240 HE22 GLN A 550 -15.462 0.279 5.107 1.00 0.00 H +ATOM 241 N LEU A 551 -11.607 4.038 0.975 1.00 0.00 N +ATOM 242 CA LEU A 551 -10.506 3.901 0.024 1.00 0.00 C +ATOM 243 C LEU A 551 -9.185 3.886 0.769 1.00 0.00 C +ATOM 244 O LEU A 551 -8.283 3.125 0.437 1.00 0.00 O +ATOM 245 CB LEU A 551 -10.513 5.066 -0.973 1.00 0.00 C +ATOM 246 CG LEU A 551 -9.235 5.903 -1.026 1.00 0.00 C +ATOM 247 CD1 LEU A 551 -8.184 5.232 -1.900 1.00 0.00 C +ATOM 248 CD2 LEU A 551 -9.530 7.309 -1.528 1.00 0.00 C +ATOM 249 H LEU A 551 -12.192 4.824 0.917 1.00 0.00 H +ATOM 250 HA LEU A 551 -10.625 2.974 -0.508 1.00 0.00 H +ATOM 251 HB2 LEU A 551 -10.696 4.665 -1.959 1.00 0.00 H +ATOM 252 HB3 LEU A 551 -11.329 5.723 -0.714 1.00 0.00 H +ATOM 253 HG LEU A 551 -8.839 5.982 -0.029 1.00 0.00 H +ATOM 254 HD11 LEU A 551 -8.568 5.122 -2.904 1.00 0.00 H +ATOM 255 HD12 LEU A 551 -7.949 4.260 -1.496 1.00 0.00 H +ATOM 256 HD13 LEU A 551 -7.291 5.840 -1.920 1.00 0.00 H +ATOM 257 HD21 LEU A 551 -9.838 7.265 -2.562 1.00 0.00 H +ATOM 258 HD22 LEU A 551 -8.639 7.915 -1.445 1.00 0.00 H +ATOM 259 HD23 LEU A 551 -10.319 7.745 -0.935 1.00 0.00 H +ATOM 260 N GLU A 552 -9.086 4.745 1.775 1.00 0.00 N +ATOM 261 CA GLU A 552 -7.882 4.849 2.566 1.00 0.00 C +ATOM 262 C GLU A 552 -7.502 3.475 3.098 1.00 0.00 C +ATOM 263 O GLU A 552 -6.323 3.172 3.259 1.00 0.00 O +ATOM 264 CB GLU A 552 -8.076 5.857 3.705 1.00 0.00 C +ATOM 265 CG GLU A 552 -7.167 5.627 4.896 1.00 0.00 C +ATOM 266 CD GLU A 552 -5.702 5.850 4.570 1.00 0.00 C +ATOM 267 OE1 GLU A 552 -5.336 6.997 4.240 1.00 0.00 O +ATOM 268 OE2 GLU A 552 -4.922 4.879 4.650 1.00 0.00 O +ATOM 269 H GLU A 552 -9.856 5.305 1.993 1.00 0.00 H +ATOM 270 HA GLU A 552 -7.092 5.197 1.918 1.00 0.00 H +ATOM 271 HB2 GLU A 552 -7.884 6.849 3.324 1.00 0.00 H +ATOM 272 HB3 GLU A 552 -9.097 5.809 4.045 1.00 0.00 H +ATOM 273 HG2 GLU A 552 -7.451 6.304 5.688 1.00 0.00 H +ATOM 274 HG3 GLU A 552 -7.299 4.611 5.228 1.00 0.00 H +ATOM 275 N GLN A 553 -8.508 2.641 3.363 1.00 0.00 N +ATOM 276 CA GLN A 553 -8.258 1.315 3.862 1.00 0.00 C +ATOM 277 C GLN A 553 -7.797 0.349 2.764 1.00 0.00 C +ATOM 278 O GLN A 553 -6.695 -0.207 2.881 1.00 0.00 O +ATOM 279 CB GLN A 553 -9.509 0.807 4.544 1.00 0.00 C +ATOM 280 CG GLN A 553 -9.597 1.222 6.001 1.00 0.00 C +ATOM 281 CD GLN A 553 -10.399 2.493 6.216 1.00 0.00 C +ATOM 282 OE1 GLN A 553 -10.127 3.260 7.141 1.00 0.00 O +ATOM 283 NE2 GLN A 553 -11.390 2.723 5.368 1.00 0.00 N +ATOM 284 H GLN A 553 -9.431 2.934 3.254 1.00 0.00 H +ATOM 285 HA GLN A 553 -7.475 1.389 4.599 1.00 0.00 H +ATOM 286 HB2 GLN A 553 -10.366 1.202 4.024 1.00 0.00 H +ATOM 287 HB3 GLN A 553 -9.527 -0.260 4.488 1.00 0.00 H +ATOM 288 HG2 GLN A 553 -10.056 0.425 6.566 1.00 0.00 H +ATOM 289 HG3 GLN A 553 -8.594 1.388 6.361 1.00 0.00 H +ATOM 290 HE21 GLN A 553 -11.553 2.071 4.656 1.00 0.00 H +ATOM 291 HE22 GLN A 553 -11.922 3.538 5.489 1.00 0.00 H +ATOM 292 N LEU A 554 -8.576 0.120 1.681 1.00 0.00 N +ATOM 293 CA LEU A 554 -8.081 -0.781 0.642 1.00 0.00 C +ATOM 294 C LEU A 554 -6.757 -0.283 0.099 1.00 0.00 C +ATOM 295 O LEU A 554 -5.892 -1.074 -0.272 1.00 0.00 O +ATOM 296 CB LEU A 554 -9.097 -0.984 -0.507 1.00 0.00 C +ATOM 297 CG LEU A 554 -10.023 -2.179 -0.325 1.00 0.00 C +ATOM 298 CD1 LEU A 554 -10.962 -2.301 -1.506 1.00 0.00 C +ATOM 299 CD2 LEU A 554 -9.220 -3.462 -0.156 1.00 0.00 C +ATOM 300 H LEU A 554 -9.502 0.436 1.582 1.00 0.00 H +ATOM 301 HA LEU A 554 -7.906 -1.737 1.114 1.00 0.00 H +ATOM 302 HB2 LEU A 554 -9.719 -0.097 -0.619 1.00 0.00 H +ATOM 303 HB3 LEU A 554 -8.543 -1.128 -1.423 1.00 0.00 H +ATOM 304 HG LEU A 554 -10.615 -2.030 0.565 1.00 0.00 H +ATOM 305 HD11 LEU A 554 -10.391 -2.474 -2.403 1.00 0.00 H +ATOM 306 HD12 LEU A 554 -11.524 -1.387 -1.614 1.00 0.00 H +ATOM 307 HD13 LEU A 554 -11.642 -3.125 -1.346 1.00 0.00 H +ATOM 308 HD21 LEU A 554 -8.616 -3.394 0.735 1.00 0.00 H +ATOM 309 HD22 LEU A 554 -8.581 -3.601 -1.015 1.00 0.00 H +ATOM 310 HD23 LEU A 554 -9.896 -4.300 -0.070 1.00 0.00 H +ATOM 311 N SER A 555 -6.595 1.030 0.076 1.00 0.00 N +ATOM 312 CA SER A 555 -5.358 1.623 -0.389 1.00 0.00 C +ATOM 313 C SER A 555 -4.262 1.312 0.614 1.00 0.00 C +ATOM 314 O SER A 555 -3.127 1.019 0.241 1.00 0.00 O +ATOM 315 CB SER A 555 -5.509 3.135 -0.561 1.00 0.00 C +ATOM 316 OG SER A 555 -4.294 3.725 -0.985 1.00 0.00 O +ATOM 317 H SER A 555 -7.315 1.609 0.394 1.00 0.00 H +ATOM 318 HA SER A 555 -5.106 1.177 -1.340 1.00 0.00 H +ATOM 319 HB2 SER A 555 -6.270 3.339 -1.300 1.00 0.00 H +ATOM 320 HB3 SER A 555 -5.799 3.576 0.383 1.00 0.00 H +ATOM 321 HG SER A 555 -3.984 3.286 -1.779 1.00 0.00 H +ATOM 322 N ALA A 556 -4.615 1.384 1.899 1.00 0.00 N +ATOM 323 CA ALA A 556 -3.676 1.095 2.970 1.00 0.00 C +ATOM 324 C ALA A 556 -3.045 -0.282 2.835 1.00 0.00 C +ATOM 325 O ALA A 556 -1.929 -0.493 3.313 1.00 0.00 O +ATOM 326 CB ALA A 556 -4.361 1.220 4.323 1.00 0.00 C +ATOM 327 H ALA A 556 -5.491 1.739 2.152 1.00 0.00 H +ATOM 328 HA ALA A 556 -2.899 1.839 2.928 1.00 0.00 H +ATOM 329 HB1 ALA A 556 -3.648 1.014 5.108 1.00 0.00 H +ATOM 330 HB2 ALA A 556 -5.175 0.515 4.381 1.00 0.00 H +ATOM 331 HB3 ALA A 556 -4.743 2.223 4.441 1.00 0.00 H +ATOM 332 N MET A 557 -3.732 -1.234 2.198 1.00 0.00 N +ATOM 333 CA MET A 557 -3.162 -2.570 2.035 1.00 0.00 C +ATOM 334 C MET A 557 -2.346 -2.661 0.746 1.00 0.00 C +ATOM 335 O MET A 557 -2.163 -3.741 0.183 1.00 0.00 O +ATOM 336 CB MET A 557 -4.259 -3.634 2.046 1.00 0.00 C +ATOM 337 CG MET A 557 -4.482 -4.254 3.415 1.00 0.00 C +ATOM 338 SD MET A 557 -2.976 -4.956 4.117 1.00 0.00 S +ATOM 339 CE MET A 557 -2.551 -6.168 2.868 1.00 0.00 C +ATOM 340 H MET A 557 -4.618 -1.060 1.801 1.00 0.00 H +ATOM 341 HA MET A 557 -2.501 -2.744 2.871 1.00 0.00 H +ATOM 342 HB2 MET A 557 -5.186 -3.183 1.723 1.00 0.00 H +ATOM 343 HB3 MET A 557 -3.991 -4.421 1.357 1.00 0.00 H +ATOM 344 HG2 MET A 557 -4.853 -3.491 4.083 1.00 0.00 H +ATOM 345 HG3 MET A 557 -5.218 -5.038 3.323 1.00 0.00 H +ATOM 346 HE1 MET A 557 -3.381 -6.843 2.725 1.00 0.00 H +ATOM 347 HE2 MET A 557 -1.683 -6.725 3.188 1.00 0.00 H +ATOM 348 HE3 MET A 557 -2.332 -5.664 1.938 1.00 0.00 H +ATOM 349 N GLY A 558 -1.860 -1.512 0.297 1.00 0.00 N +ATOM 350 CA GLY A 558 -1.038 -1.453 -0.900 1.00 0.00 C +ATOM 351 C GLY A 558 -1.790 -1.594 -2.217 1.00 0.00 C +ATOM 352 O GLY A 558 -1.300 -2.259 -3.130 1.00 0.00 O +ATOM 353 H GLY A 558 -2.038 -0.699 0.815 1.00 0.00 H +ATOM 354 HA2 GLY A 558 -0.520 -0.507 -0.909 1.00 0.00 H +ATOM 355 HA3 GLY A 558 -0.300 -2.242 -0.842 1.00 0.00 H +ATOM 356 N PHE A 559 -2.968 -0.985 -2.337 1.00 0.00 N +ATOM 357 CA PHE A 559 -3.712 -1.027 -3.570 1.00 0.00 C +ATOM 358 C PHE A 559 -3.609 0.302 -4.305 1.00 0.00 C +ATOM 359 O PHE A 559 -3.889 1.357 -3.735 1.00 0.00 O +ATOM 360 CB PHE A 559 -5.155 -1.356 -3.266 1.00 0.00 C +ATOM 361 CG PHE A 559 -5.391 -2.829 -3.290 1.00 0.00 C +ATOM 362 CD1 PHE A 559 -5.544 -3.502 -4.489 1.00 0.00 C +ATOM 363 CD2 PHE A 559 -5.446 -3.537 -2.111 1.00 0.00 C +ATOM 364 CE1 PHE A 559 -5.748 -4.865 -4.510 1.00 0.00 C +ATOM 365 CE2 PHE A 559 -5.653 -4.912 -2.122 1.00 0.00 C +ATOM 366 CZ PHE A 559 -5.802 -5.572 -3.326 1.00 0.00 C +ATOM 367 H PHE A 559 -3.342 -0.483 -1.593 1.00 0.00 H +ATOM 368 HA PHE A 559 -3.294 -1.806 -4.190 1.00 0.00 H +ATOM 369 HB2 PHE A 559 -5.410 -0.978 -2.288 1.00 0.00 H +ATOM 370 HB3 PHE A 559 -5.790 -0.894 -3.982 1.00 0.00 H +ATOM 371 HD1 PHE A 559 -5.502 -2.950 -5.417 1.00 0.00 H +ATOM 372 HD2 PHE A 559 -5.305 -3.005 -1.178 1.00 0.00 H +ATOM 373 HE1 PHE A 559 -5.864 -5.380 -5.453 1.00 0.00 H +ATOM 374 HE2 PHE A 559 -5.707 -5.468 -1.198 1.00 0.00 H +ATOM 375 HZ PHE A 559 -5.963 -6.640 -3.340 1.00 0.00 H +ATOM 376 N LEU A 560 -3.207 0.255 -5.573 1.00 0.00 N +ATOM 377 CA LEU A 560 -3.070 1.465 -6.372 1.00 0.00 C +ATOM 378 C LEU A 560 -4.328 1.677 -7.200 1.00 0.00 C +ATOM 379 O LEU A 560 -4.593 2.781 -7.681 1.00 0.00 O +ATOM 380 CB LEU A 560 -1.847 1.373 -7.288 1.00 0.00 C +ATOM 381 CG LEU A 560 -0.494 1.373 -6.572 1.00 0.00 C +ATOM 382 CD1 LEU A 560 0.637 1.229 -7.577 1.00 0.00 C +ATOM 383 CD2 LEU A 560 -0.322 2.645 -5.753 1.00 0.00 C +ATOM 384 H LEU A 560 -3.029 -0.608 -6.003 1.00 0.00 H +ATOM 385 HA LEU A 560 -2.948 2.299 -5.698 1.00 0.00 H +ATOM 386 HB2 LEU A 560 -1.925 0.464 -7.866 1.00 0.00 H +ATOM 387 HB3 LEU A 560 -1.868 2.213 -7.968 1.00 0.00 H +ATOM 388 HG LEU A 560 -0.452 0.530 -5.898 1.00 0.00 H +ATOM 389 HD11 LEU A 560 0.619 2.065 -8.260 1.00 0.00 H +ATOM 390 HD12 LEU A 560 0.514 0.309 -8.128 1.00 0.00 H +ATOM 391 HD13 LEU A 560 1.582 1.211 -7.054 1.00 0.00 H +ATOM 392 HD21 LEU A 560 -0.394 3.504 -6.403 1.00 0.00 H +ATOM 393 HD22 LEU A 560 0.646 2.636 -5.272 1.00 0.00 H +ATOM 394 HD23 LEU A 560 -1.096 2.696 -5.001 1.00 0.00 H +ATOM 395 N ASN A 561 -5.096 0.606 -7.360 1.00 0.00 N +ATOM 396 CA ASN A 561 -6.342 0.665 -8.107 1.00 0.00 C +ATOM 397 C ASN A 561 -7.401 1.317 -7.229 1.00 0.00 C +ATOM 398 O ASN A 561 -8.209 0.640 -6.594 1.00 0.00 O +ATOM 399 CB ASN A 561 -6.776 -0.736 -8.540 1.00 0.00 C +ATOM 400 CG ASN A 561 -7.659 -0.713 -9.772 1.00 0.00 C +ATOM 401 OD1 ASN A 561 -8.395 0.246 -10.005 1.00 0.00 O +ATOM 402 ND2 ASN A 561 -7.589 -1.772 -10.570 1.00 0.00 N +ATOM 403 H ASN A 561 -4.823 -0.238 -6.943 1.00 0.00 H +ATOM 404 HA ASN A 561 -6.179 1.279 -8.982 1.00 0.00 H +ATOM 405 HB2 ASN A 561 -5.900 -1.326 -8.759 1.00 0.00 H +ATOM 406 HB3 ASN A 561 -7.326 -1.202 -7.734 1.00 0.00 H +ATOM 407 HD21 ASN A 561 -6.981 -2.499 -10.321 1.00 0.00 H +ATOM 408 HD22 ASN A 561 -8.149 -1.782 -11.375 1.00 0.00 H +ATOM 409 N ARG A 562 -7.380 2.643 -7.208 1.00 0.00 N +ATOM 410 CA ARG A 562 -8.290 3.424 -6.382 1.00 0.00 C +ATOM 411 C ARG A 562 -9.752 3.155 -6.738 1.00 0.00 C +ATOM 412 O ARG A 562 -10.563 2.848 -5.865 1.00 0.00 O +ATOM 413 CB ARG A 562 -7.963 4.906 -6.531 1.00 0.00 C +ATOM 414 CG ARG A 562 -6.471 5.204 -6.511 1.00 0.00 C +ATOM 415 CD ARG A 562 -5.866 4.934 -5.142 1.00 0.00 C +ATOM 416 NE ARG A 562 -4.413 5.065 -5.149 1.00 0.00 N +ATOM 417 CZ ARG A 562 -3.697 5.419 -4.086 1.00 0.00 C +ATOM 418 NH1 ARG A 562 -4.300 5.690 -2.936 1.00 0.00 N +ATOM 419 NH2 ARG A 562 -2.377 5.505 -4.172 1.00 0.00 N +ATOM 420 H ARG A 562 -6.752 3.112 -7.795 1.00 0.00 H +ATOM 421 HA ARG A 562 -8.129 3.137 -5.356 1.00 0.00 H +ATOM 422 HB2 ARG A 562 -8.369 5.264 -7.465 1.00 0.00 H +ATOM 423 HB3 ARG A 562 -8.423 5.445 -5.717 1.00 0.00 H +ATOM 424 HG2 ARG A 562 -5.980 4.576 -7.240 1.00 0.00 H +ATOM 425 HG3 ARG A 562 -6.319 6.242 -6.764 1.00 0.00 H +ATOM 426 HD2 ARG A 562 -6.277 5.639 -4.436 1.00 0.00 H +ATOM 427 HD3 ARG A 562 -6.127 3.930 -4.839 1.00 0.00 H +ATOM 428 HE ARG A 562 -3.943 4.874 -5.989 1.00 0.00 H +ATOM 429 HH11 ARG A 562 -5.296 5.628 -2.866 1.00 0.00 H +ATOM 430 HH12 ARG A 562 -3.760 5.956 -2.138 1.00 0.00 H +ATOM 431 HH21 ARG A 562 -1.918 5.303 -5.037 1.00 0.00 H +ATOM 432 HH22 ARG A 562 -1.840 5.771 -3.372 1.00 0.00 H +ATOM 433 N GLU A 563 -10.085 3.302 -8.014 1.00 0.00 N +ATOM 434 CA GLU A 563 -11.446 3.051 -8.489 1.00 0.00 C +ATOM 435 C GLU A 563 -11.928 1.672 -8.048 1.00 0.00 C +ATOM 436 O GLU A 563 -13.117 1.463 -7.760 1.00 0.00 O +ATOM 437 CB GLU A 563 -11.494 3.144 -10.011 1.00 0.00 C +ATOM 438 CG GLU A 563 -11.725 4.552 -10.535 1.00 0.00 C +ATOM 439 CD GLU A 563 -10.637 5.519 -10.108 1.00 0.00 C +ATOM 440 OE1 GLU A 563 -9.552 5.502 -10.726 1.00 0.00 O +ATOM 441 OE2 GLU A 563 -10.872 6.294 -9.157 1.00 0.00 O +ATOM 442 H GLU A 563 -9.403 3.614 -8.646 1.00 0.00 H +ATOM 443 HA GLU A 563 -12.094 3.803 -8.066 1.00 0.00 H +ATOM 444 HB2 GLU A 563 -10.557 2.785 -10.411 1.00 0.00 H +ATOM 445 HB3 GLU A 563 -12.289 2.511 -10.370 1.00 0.00 H +ATOM 446 HG2 GLU A 563 -11.754 4.521 -11.613 1.00 0.00 H +ATOM 447 HG3 GLU A 563 -12.673 4.910 -10.160 1.00 0.00 H +ATOM 448 N ALA A 564 -10.984 0.746 -7.951 1.00 0.00 N +ATOM 449 CA ALA A 564 -11.280 -0.626 -7.570 1.00 0.00 C +ATOM 450 C ALA A 564 -11.599 -0.723 -6.088 1.00 0.00 C +ATOM 451 O ALA A 564 -12.266 -1.661 -5.652 1.00 0.00 O +ATOM 452 CB ALA A 564 -10.120 -1.542 -7.920 1.00 0.00 C +ATOM 453 H ALA A 564 -10.047 1.004 -8.063 1.00 0.00 H +ATOM 454 HA ALA A 564 -12.143 -0.947 -8.134 1.00 0.00 H +ATOM 455 HB1 ALA A 564 -9.905 -1.464 -8.976 1.00 0.00 H +ATOM 456 HB2 ALA A 564 -10.382 -2.561 -7.680 1.00 0.00 H +ATOM 457 HB3 ALA A 564 -9.249 -1.252 -7.352 1.00 0.00 H +ATOM 458 N ASN A 565 -11.120 0.245 -5.307 1.00 0.00 N +ATOM 459 CA ASN A 565 -11.354 0.237 -3.872 1.00 0.00 C +ATOM 460 C ASN A 565 -12.758 0.729 -3.584 1.00 0.00 C +ATOM 461 O ASN A 565 -13.507 0.098 -2.848 1.00 0.00 O +ATOM 462 CB ASN A 565 -10.352 1.134 -3.146 1.00 0.00 C +ATOM 463 CG ASN A 565 -8.932 0.926 -3.614 1.00 0.00 C +ATOM 464 OD1 ASN A 565 -8.546 -0.172 -4.017 1.00 0.00 O +ATOM 465 ND2 ASN A 565 -8.144 1.991 -3.564 1.00 0.00 N +ATOM 466 H ASN A 565 -10.711 1.042 -5.697 1.00 0.00 H +ATOM 467 HA ASN A 565 -11.252 -0.776 -3.518 1.00 0.00 H +ATOM 468 HB2 ASN A 565 -10.618 2.166 -3.316 1.00 0.00 H +ATOM 469 HB3 ASN A 565 -10.397 0.926 -2.088 1.00 0.00 H +ATOM 470 HD21 ASN A 565 -8.523 2.831 -3.232 1.00 0.00 H +ATOM 471 HD22 ASN A 565 -7.220 1.895 -3.863 1.00 0.00 H +ATOM 472 N LEU A 566 -13.124 1.848 -4.207 1.00 0.00 N +ATOM 473 CA LEU A 566 -14.411 2.420 -4.022 1.00 0.00 C +ATOM 474 C LEU A 566 -15.466 1.370 -4.274 1.00 0.00 C +ATOM 475 O LEU A 566 -16.396 1.200 -3.484 1.00 0.00 O +ATOM 476 CB LEU A 566 -14.595 3.570 -4.994 1.00 0.00 C +ATOM 477 CG LEU A 566 -16.003 4.031 -5.032 1.00 0.00 C +ATOM 478 CD1 LEU A 566 -16.163 5.327 -4.276 1.00 0.00 C +ATOM 479 CD2 LEU A 566 -16.527 4.134 -6.454 1.00 0.00 C +ATOM 480 H LEU A 566 -12.550 2.251 -4.866 1.00 0.00 H +ATOM 481 HA LEU A 566 -14.509 2.788 -3.017 1.00 0.00 H +ATOM 482 HB2 LEU A 566 -13.964 4.392 -4.700 1.00 0.00 H +ATOM 483 HB3 LEU A 566 -14.321 3.240 -5.979 1.00 0.00 H +ATOM 484 HG LEU A 566 -16.547 3.283 -4.518 1.00 0.00 H +ATOM 485 HD11 LEU A 566 -17.207 5.573 -4.193 1.00 0.00 H +ATOM 486 HD12 LEU A 566 -15.643 6.113 -4.802 1.00 0.00 H +ATOM 487 HD13 LEU A 566 -15.738 5.211 -3.289 1.00 0.00 H +ATOM 488 HD21 LEU A 566 -16.422 3.173 -6.947 1.00 0.00 H +ATOM 489 HD22 LEU A 566 -15.956 4.885 -6.993 1.00 0.00 H +ATOM 490 HD23 LEU A 566 -17.575 4.420 -6.432 1.00 0.00 H +ATOM 491 N GLN A 567 -15.314 0.665 -5.382 1.00 0.00 N +ATOM 492 CA GLN A 567 -16.285 -0.349 -5.728 1.00 0.00 C +ATOM 493 C GLN A 567 -16.197 -1.568 -4.854 1.00 0.00 C +ATOM 494 O GLN A 567 -17.228 -2.148 -4.513 1.00 0.00 O +ATOM 495 CB GLN A 567 -16.217 -0.722 -7.210 1.00 0.00 C +ATOM 496 CG GLN A 567 -17.292 -1.711 -7.635 1.00 0.00 C +ATOM 497 CD GLN A 567 -17.102 -2.214 -9.055 1.00 0.00 C +ATOM 498 OE1 GLN A 567 -17.475 -3.343 -9.378 1.00 0.00 O +ATOM 499 NE2 GLN A 567 -16.522 -1.381 -9.911 1.00 0.00 N +ATOM 500 H GLN A 567 -14.535 0.832 -5.957 1.00 0.00 H +ATOM 501 HA GLN A 567 -17.230 0.082 -5.510 1.00 0.00 H +ATOM 502 HB2 GLN A 567 -16.328 0.175 -7.801 1.00 0.00 H +ATOM 503 HB3 GLN A 567 -15.252 -1.161 -7.415 1.00 0.00 H +ATOM 504 HG2 GLN A 567 -17.270 -2.557 -6.966 1.00 0.00 H +ATOM 505 HG3 GLN A 567 -18.255 -1.226 -7.568 1.00 0.00 H +ATOM 506 HE21 GLN A 567 -16.253 -0.497 -9.586 1.00 0.00 H +ATOM 507 HE22 GLN A 567 -16.389 -1.683 -10.834 1.00 0.00 H +ATOM 508 N ALA A 568 -15.004 -1.981 -4.488 1.00 0.00 N +ATOM 509 CA ALA A 568 -14.899 -3.125 -3.626 1.00 0.00 C +ATOM 510 C ALA A 568 -15.620 -2.815 -2.328 1.00 0.00 C +ATOM 511 O ALA A 568 -16.224 -3.698 -1.713 1.00 0.00 O +ATOM 512 CB ALA A 568 -13.444 -3.480 -3.377 1.00 0.00 C +ATOM 513 H ALA A 568 -14.190 -1.513 -4.767 1.00 0.00 H +ATOM 514 HA ALA A 568 -15.383 -3.962 -4.113 1.00 0.00 H +ATOM 515 HB1 ALA A 568 -12.921 -2.608 -3.019 1.00 0.00 H +ATOM 516 HB2 ALA A 568 -12.993 -3.819 -4.297 1.00 0.00 H +ATOM 517 HB3 ALA A 568 -13.386 -4.264 -2.637 1.00 0.00 H +ATOM 518 N LEU A 569 -15.606 -1.537 -1.929 1.00 0.00 N +ATOM 519 CA LEU A 569 -16.230 -1.127 -0.712 1.00 0.00 C +ATOM 520 C LEU A 569 -17.751 -1.114 -0.831 1.00 0.00 C +ATOM 521 O LEU A 569 -18.462 -1.463 0.112 1.00 0.00 O +ATOM 522 CB LEU A 569 -15.704 0.250 -0.412 1.00 0.00 C +ATOM 523 CG LEU A 569 -14.422 0.303 0.412 1.00 0.00 C +ATOM 524 CD1 LEU A 569 -14.698 -0.103 1.845 1.00 0.00 C +ATOM 525 CD2 LEU A 569 -13.336 -0.581 -0.169 1.00 0.00 C +ATOM 526 H LEU A 569 -15.203 -0.810 -2.481 1.00 0.00 H +ATOM 527 HA LEU A 569 -15.933 -1.801 0.074 1.00 0.00 H +ATOM 528 HB2 LEU A 569 -15.517 0.748 -1.352 1.00 0.00 H +ATOM 529 HB3 LEU A 569 -16.461 0.784 0.102 1.00 0.00 H +ATOM 530 HG LEU A 569 -14.060 1.321 0.399 1.00 0.00 H +ATOM 531 HD11 LEU A 569 -13.831 0.111 2.453 1.00 0.00 H +ATOM 532 HD12 LEU A 569 -14.913 -1.160 1.885 1.00 0.00 H +ATOM 533 HD13 LEU A 569 -15.546 0.451 2.217 1.00 0.00 H +ATOM 534 HD21 LEU A 569 -12.814 -0.042 -0.952 1.00 0.00 H +ATOM 535 HD22 LEU A 569 -13.780 -1.483 -0.579 1.00 0.00 H +ATOM 536 HD23 LEU A 569 -12.635 -0.847 0.616 1.00 0.00 H +ATOM 537 N ILE A 570 -18.242 -0.708 -1.998 1.00 0.00 N +ATOM 538 CA ILE A 570 -19.676 -0.637 -2.247 1.00 0.00 C +ATOM 539 C ILE A 570 -20.298 -2.026 -2.221 1.00 0.00 C +ATOM 540 O ILE A 570 -21.407 -2.214 -1.719 1.00 0.00 O +ATOM 541 CB ILE A 570 -19.971 0.031 -3.608 1.00 0.00 C +ATOM 542 CG1 ILE A 570 -19.646 1.529 -3.557 1.00 0.00 C +ATOM 543 CG2 ILE A 570 -21.420 -0.190 -4.020 1.00 0.00 C +ATOM 544 CD1 ILE A 570 -20.564 2.325 -2.652 1.00 0.00 C +ATOM 545 H ILE A 570 -17.623 -0.474 -2.721 1.00 0.00 H +ATOM 546 HA ILE A 570 -20.121 -0.036 -1.467 1.00 0.00 H +ATOM 547 HB ILE A 570 -19.341 -0.436 -4.351 1.00 0.00 H +ATOM 548 HG12 ILE A 570 -18.637 1.659 -3.197 1.00 0.00 H +ATOM 549 HG13 ILE A 570 -19.723 1.940 -4.553 1.00 0.00 H +ATOM 550 HG21 ILE A 570 -21.588 -1.242 -4.201 1.00 0.00 H +ATOM 551 HG22 ILE A 570 -21.626 0.367 -4.922 1.00 0.00 H +ATOM 552 HG23 ILE A 570 -22.075 0.148 -3.232 1.00 0.00 H +ATOM 553 HD11 ILE A 570 -20.524 1.921 -1.653 1.00 0.00 H +ATOM 554 HD12 ILE A 570 -21.577 2.266 -3.024 1.00 0.00 H +ATOM 555 HD13 ILE A 570 -20.248 3.357 -2.636 1.00 0.00 H +ATOM 556 N ALA A 571 -19.576 -2.997 -2.765 1.00 0.00 N +ATOM 557 CA ALA A 571 -20.056 -4.369 -2.816 1.00 0.00 C +ATOM 558 C ALA A 571 -19.829 -5.087 -1.491 1.00 0.00 C +ATOM 559 O ALA A 571 -20.413 -6.142 -1.245 1.00 0.00 O +ATOM 560 CB ALA A 571 -19.378 -5.124 -3.948 1.00 0.00 C +ATOM 561 H ALA A 571 -18.696 -2.785 -3.141 1.00 0.00 H +ATOM 562 HA ALA A 571 -21.117 -4.340 -3.019 1.00 0.00 H +ATOM 563 HB1 ALA A 571 -18.324 -5.227 -3.733 1.00 0.00 H +ATOM 564 HB2 ALA A 571 -19.505 -4.579 -4.872 1.00 0.00 H +ATOM 565 HB3 ALA A 571 -19.822 -6.103 -4.045 1.00 0.00 H +ATOM 566 N THR A 572 -18.980 -4.516 -0.637 1.00 0.00 N +ATOM 567 CA THR A 572 -18.694 -5.132 0.651 1.00 0.00 C +ATOM 568 C THR A 572 -19.382 -4.419 1.819 1.00 0.00 C +ATOM 569 O THR A 572 -19.180 -4.791 2.973 1.00 0.00 O +ATOM 570 CB THR A 572 -17.182 -5.187 0.919 1.00 0.00 C +ATOM 571 OG1 THR A 572 -16.605 -3.885 0.774 1.00 0.00 O +ATOM 572 CG2 THR A 572 -16.510 -6.165 -0.031 1.00 0.00 C +ATOM 573 H THR A 572 -18.531 -3.676 -0.880 1.00 0.00 H +ATOM 574 HA THR A 572 -19.057 -6.147 0.613 1.00 0.00 H +ATOM 575 HB THR A 572 -17.025 -5.528 1.929 1.00 0.00 H +ATOM 576 HG1 THR A 572 -17.218 -3.224 1.104 1.00 0.00 H +ATOM 577 HG21 THR A 572 -15.469 -6.266 0.231 1.00 0.00 H +ATOM 578 HG22 THR A 572 -16.592 -5.798 -1.044 1.00 0.00 H +ATOM 579 HG23 THR A 572 -16.994 -7.129 0.040 1.00 0.00 H +ATOM 580 N GLY A 573 -20.211 -3.413 1.524 1.00 0.00 N +ATOM 581 CA GLY A 573 -20.918 -2.682 2.570 1.00 0.00 C +ATOM 582 C GLY A 573 -20.057 -2.243 3.741 1.00 0.00 C +ATOM 583 O GLY A 573 -20.545 -2.166 4.870 1.00 0.00 O +ATOM 584 H GLY A 573 -20.401 -3.171 0.594 1.00 0.00 H +ATOM 585 HA2 GLY A 573 -21.357 -1.798 2.129 1.00 0.00 H +ATOM 586 HA3 GLY A 573 -21.715 -3.308 2.945 1.00 0.00 H +ATOM 587 N GLY A 574 -18.786 -1.945 3.492 1.00 0.00 N +ATOM 588 CA GLY A 574 -17.916 -1.501 4.571 1.00 0.00 C +ATOM 589 C GLY A 574 -16.888 -2.540 4.976 1.00 0.00 C +ATOM 590 O GLY A 574 -15.904 -2.217 5.638 1.00 0.00 O +ATOM 591 H GLY A 574 -18.434 -2.048 2.582 1.00 0.00 H +ATOM 592 HA2 GLY A 574 -17.400 -0.607 4.253 1.00 0.00 H +ATOM 593 HA3 GLY A 574 -18.526 -1.262 5.430 1.00 0.00 H +ATOM 594 N ASP A 575 -17.122 -3.789 4.589 1.00 0.00 N +ATOM 595 CA ASP A 575 -16.204 -4.873 4.895 1.00 0.00 C +ATOM 596 C ASP A 575 -14.999 -4.754 3.979 1.00 0.00 C +ATOM 597 O ASP A 575 -14.877 -5.465 2.981 1.00 0.00 O +ATOM 598 CB ASP A 575 -16.897 -6.221 4.714 1.00 0.00 C +ATOM 599 CG ASP A 575 -17.782 -6.581 5.892 1.00 0.00 C +ATOM 600 OD1 ASP A 575 -18.969 -6.190 5.886 1.00 0.00 O +ATOM 601 OD2 ASP A 575 -17.288 -7.255 6.820 1.00 0.00 O +ATOM 602 H ASP A 575 -17.921 -3.982 4.077 1.00 0.00 H +ATOM 603 HA ASP A 575 -15.882 -4.766 5.921 1.00 0.00 H +ATOM 604 HB2 ASP A 575 -17.513 -6.187 3.828 1.00 0.00 H +ATOM 605 HB3 ASP A 575 -16.153 -6.985 4.597 1.00 0.00 H +ATOM 606 N ILE A 576 -14.114 -3.842 4.341 1.00 0.00 N +ATOM 607 CA ILE A 576 -12.933 -3.544 3.557 1.00 0.00 C +ATOM 608 C ILE A 576 -11.978 -4.705 3.560 1.00 0.00 C +ATOM 609 O ILE A 576 -11.337 -4.981 2.560 1.00 0.00 O +ATOM 610 CB ILE A 576 -12.218 -2.293 4.087 1.00 0.00 C +ATOM 611 CG1 ILE A 576 -13.223 -1.384 4.815 1.00 0.00 C +ATOM 612 CG2 ILE A 576 -11.534 -1.565 2.938 1.00 0.00 C +ATOM 613 CD1 ILE A 576 -12.776 0.055 4.950 1.00 0.00 C +ATOM 614 H ILE A 576 -14.256 -3.356 5.169 1.00 0.00 H +ATOM 615 HA ILE A 576 -13.247 -3.350 2.541 1.00 0.00 H +ATOM 616 HB ILE A 576 -11.461 -2.611 4.785 1.00 0.00 H +ATOM 617 HG12 ILE A 576 -14.168 -1.398 4.287 1.00 0.00 H +ATOM 618 HG13 ILE A 576 -13.374 -1.769 5.815 1.00 0.00 H +ATOM 619 HG21 ILE A 576 -10.890 -2.253 2.409 1.00 0.00 H +ATOM 620 HG22 ILE A 576 -10.944 -0.752 3.326 1.00 0.00 H +ATOM 621 HG23 ILE A 576 -12.280 -1.179 2.261 1.00 0.00 H +ATOM 622 HD11 ILE A 576 -11.817 0.089 5.442 1.00 0.00 H +ATOM 623 HD12 ILE A 576 -13.500 0.601 5.535 1.00 0.00 H +ATOM 624 HD13 ILE A 576 -12.696 0.501 3.970 1.00 0.00 H +ATOM 625 N ASN A 577 -11.949 -5.405 4.681 1.00 0.00 N +ATOM 626 CA ASN A 577 -11.097 -6.557 4.872 1.00 0.00 C +ATOM 627 C ASN A 577 -11.556 -7.663 3.936 1.00 0.00 C +ATOM 628 O ASN A 577 -10.760 -8.301 3.243 1.00 0.00 O +ATOM 629 CB ASN A 577 -11.215 -6.998 6.323 1.00 0.00 C +ATOM 630 CG ASN A 577 -10.215 -6.304 7.221 1.00 0.00 C +ATOM 631 OD1 ASN A 577 -9.673 -6.904 8.150 1.00 0.00 O +ATOM 632 ND2 ASN A 577 -9.976 -5.027 6.953 1.00 0.00 N +ATOM 633 H ASN A 577 -12.591 -5.201 5.370 1.00 0.00 H +ATOM 634 HA ASN A 577 -10.079 -6.283 4.652 1.00 0.00 H +ATOM 635 HB2 ASN A 577 -12.208 -6.759 6.680 1.00 0.00 H +ATOM 636 HB3 ASN A 577 -11.071 -8.050 6.384 1.00 0.00 H +ATOM 637 HD21 ASN A 577 -10.453 -4.615 6.203 1.00 0.00 H +ATOM 638 HD22 ASN A 577 -9.337 -4.548 7.516 1.00 0.00 H +ATOM 639 N ALA A 578 -12.866 -7.861 3.938 1.00 0.00 N +ATOM 640 CA ALA A 578 -13.488 -8.845 3.074 1.00 0.00 C +ATOM 641 C ALA A 578 -13.224 -8.431 1.635 1.00 0.00 C +ATOM 642 O ALA A 578 -13.085 -9.262 0.734 1.00 0.00 O +ATOM 643 CB ALA A 578 -14.982 -8.940 3.347 1.00 0.00 C +ATOM 644 H ALA A 578 -13.395 -7.300 4.541 1.00 0.00 H +ATOM 645 HA ALA A 578 -13.033 -9.807 3.261 1.00 0.00 H +ATOM 646 HB1 ALA A 578 -15.142 -9.218 4.379 1.00 0.00 H +ATOM 647 HB2 ALA A 578 -15.420 -9.687 2.701 1.00 0.00 H +ATOM 648 HB3 ALA A 578 -15.445 -7.984 3.157 1.00 0.00 H +ATOM 649 N ALA A 579 -13.131 -7.115 1.450 1.00 0.00 N +ATOM 650 CA ALA A 579 -12.867 -6.529 0.150 1.00 0.00 C +ATOM 651 C ALA A 579 -11.411 -6.718 -0.256 1.00 0.00 C +ATOM 652 O ALA A 579 -11.122 -6.881 -1.429 1.00 0.00 O +ATOM 653 CB ALA A 579 -13.221 -5.049 0.156 1.00 0.00 C +ATOM 654 H ALA A 579 -13.257 -6.518 2.217 1.00 0.00 H +ATOM 655 HA ALA A 579 -13.499 -7.021 -0.574 1.00 0.00 H +ATOM 656 HB1 ALA A 579 -13.158 -4.659 -0.850 1.00 0.00 H +ATOM 657 HB2 ALA A 579 -12.532 -4.516 0.793 1.00 0.00 H +ATOM 658 HB3 ALA A 579 -14.227 -4.921 0.529 1.00 0.00 H +ATOM 659 N ILE A 580 -10.496 -6.695 0.713 1.00 0.00 N +ATOM 660 CA ILE A 580 -9.086 -6.858 0.429 1.00 0.00 C +ATOM 661 C ILE A 580 -8.820 -8.232 -0.171 1.00 0.00 C +ATOM 662 O ILE A 580 -8.076 -8.376 -1.140 1.00 0.00 O +ATOM 663 CB ILE A 580 -8.266 -6.729 1.721 1.00 0.00 C +ATOM 664 CG1 ILE A 580 -8.746 -5.541 2.569 1.00 0.00 C +ATOM 665 CG2 ILE A 580 -6.781 -6.622 1.400 1.00 0.00 C +ATOM 666 CD1 ILE A 580 -7.785 -5.124 3.662 1.00 0.00 C +ATOM 667 H ILE A 580 -10.769 -6.575 1.644 1.00 0.00 H +ATOM 668 HA ILE A 580 -8.776 -6.091 -0.262 1.00 0.00 H +ATOM 669 HB ILE A 580 -8.426 -7.629 2.278 1.00 0.00 H +ATOM 670 HG12 ILE A 580 -8.907 -4.693 1.927 1.00 0.00 H +ATOM 671 HG13 ILE A 580 -9.686 -5.804 3.049 1.00 0.00 H +ATOM 672 HG21 ILE A 580 -6.586 -5.685 0.899 1.00 0.00 H +ATOM 673 HG22 ILE A 580 -6.492 -7.440 0.755 1.00 0.00 H +ATOM 674 HG23 ILE A 580 -6.210 -6.667 2.315 1.00 0.00 H +ATOM 675 HD11 ILE A 580 -6.956 -4.584 3.224 1.00 0.00 H +ATOM 676 HD12 ILE A 580 -7.416 -6.005 4.173 1.00 0.00 H +ATOM 677 HD13 ILE A 580 -8.300 -4.484 4.369 1.00 0.00 H +ATOM 678 N GLU A 581 -9.447 -9.233 0.430 1.00 0.00 N +ATOM 679 CA GLU A 581 -9.294 -10.623 0.011 1.00 0.00 C +ATOM 680 C GLU A 581 -9.932 -10.875 -1.348 1.00 0.00 C +ATOM 681 O GLU A 581 -9.392 -11.612 -2.173 1.00 0.00 O +ATOM 682 CB GLU A 581 -9.913 -11.558 1.051 1.00 0.00 C +ATOM 683 CG GLU A 581 -9.265 -11.461 2.422 1.00 0.00 C +ATOM 684 CD GLU A 581 -9.979 -12.301 3.461 1.00 0.00 C +ATOM 685 OE1 GLU A 581 -9.691 -13.513 3.548 1.00 0.00 O +ATOM 686 OE2 GLU A 581 -10.830 -11.747 4.189 1.00 0.00 O +ATOM 687 H GLU A 581 -10.066 -9.023 1.156 1.00 0.00 H +ATOM 688 HA GLU A 581 -8.237 -10.831 -0.058 1.00 0.00 H +ATOM 689 HB2 GLU A 581 -10.962 -11.319 1.155 1.00 0.00 H +ATOM 690 HB3 GLU A 581 -9.818 -12.576 0.703 1.00 0.00 H +ATOM 691 HG2 GLU A 581 -8.243 -11.802 2.347 1.00 0.00 H +ATOM 692 HG3 GLU A 581 -9.277 -10.430 2.740 1.00 0.00 H +ATOM 693 N ARG A 582 -11.086 -10.257 -1.572 1.00 0.00 N +ATOM 694 CA ARG A 582 -11.810 -10.435 -2.821 1.00 0.00 C +ATOM 695 C ARG A 582 -11.184 -9.619 -3.949 1.00 0.00 C +ATOM 696 O ARG A 582 -11.073 -10.084 -5.083 1.00 0.00 O +ATOM 697 CB ARG A 582 -13.279 -10.047 -2.646 1.00 0.00 C +ATOM 698 CG ARG A 582 -13.920 -9.527 -3.919 1.00 0.00 C +ATOM 699 CD ARG A 582 -15.416 -9.782 -3.942 1.00 0.00 C +ATOM 700 NE ARG A 582 -16.045 -9.231 -5.139 1.00 0.00 N +ATOM 701 CZ ARG A 582 -16.695 -9.966 -6.038 1.00 0.00 C +ATOM 702 NH1 ARG A 582 -16.802 -11.278 -5.877 1.00 0.00 N +ATOM 703 NH2 ARG A 582 -17.238 -9.386 -7.099 1.00 0.00 N +ATOM 704 H ARG A 582 -11.403 -9.593 -0.921 1.00 0.00 H +ATOM 705 HA ARG A 582 -11.758 -11.481 -3.084 1.00 0.00 H +ATOM 706 HB2 ARG A 582 -13.833 -10.914 -2.316 1.00 0.00 H +ATOM 707 HB3 ARG A 582 -13.348 -9.276 -1.892 1.00 0.00 H +ATOM 708 HG2 ARG A 582 -13.745 -8.462 -3.983 1.00 0.00 H +ATOM 709 HG3 ARG A 582 -13.459 -10.020 -4.766 1.00 0.00 H +ATOM 710 HD2 ARG A 582 -15.588 -10.849 -3.915 1.00 0.00 H +ATOM 711 HD3 ARG A 582 -15.861 -9.324 -3.070 1.00 0.00 H +ATOM 712 HE ARG A 582 -15.981 -8.263 -5.280 1.00 0.00 H +ATOM 713 HH11 ARG A 582 -16.394 -11.719 -5.077 1.00 0.00 H +ATOM 714 HH12 ARG A 582 -17.290 -11.827 -6.555 1.00 0.00 H +ATOM 715 HH21 ARG A 582 -17.160 -8.396 -7.224 1.00 0.00 H +ATOM 716 HH22 ARG A 582 -17.724 -9.939 -7.776 1.00 0.00 H +ATOM 717 N LEU A 583 -10.780 -8.399 -3.620 1.00 0.00 N +ATOM 718 CA LEU A 583 -10.210 -7.481 -4.558 1.00 0.00 C +ATOM 719 C LEU A 583 -8.911 -8.012 -5.143 1.00 0.00 C +ATOM 720 O LEU A 583 -8.688 -7.939 -6.352 1.00 0.00 O +ATOM 721 CB LEU A 583 -9.983 -6.174 -3.816 1.00 0.00 C +ATOM 722 CG LEU A 583 -8.986 -5.248 -4.454 1.00 0.00 C +ATOM 723 CD1 LEU A 583 -9.345 -4.946 -5.904 1.00 0.00 C +ATOM 724 CD2 LEU A 583 -8.855 -3.966 -3.655 1.00 0.00 C +ATOM 725 H LEU A 583 -10.851 -8.095 -2.703 1.00 0.00 H +ATOM 726 HA LEU A 583 -10.922 -7.319 -5.353 1.00 0.00 H +ATOM 727 HB2 LEU A 583 -10.926 -5.665 -3.711 1.00 0.00 H +ATOM 728 HB3 LEU A 583 -9.618 -6.416 -2.827 1.00 0.00 H +ATOM 729 HG LEU A 583 -8.046 -5.758 -4.428 1.00 0.00 H +ATOM 730 HD11 LEU A 583 -8.677 -4.190 -6.289 1.00 0.00 H +ATOM 731 HD12 LEU A 583 -10.363 -4.590 -5.957 1.00 0.00 H +ATOM 732 HD13 LEU A 583 -9.249 -5.845 -6.494 1.00 0.00 H +ATOM 733 HD21 LEU A 583 -8.122 -3.325 -4.118 1.00 0.00 H +ATOM 734 HD22 LEU A 583 -8.544 -4.199 -2.647 1.00 0.00 H +ATOM 735 HD23 LEU A 583 -9.808 -3.460 -3.629 1.00 0.00 H +ATOM 736 N LEU A 584 -8.056 -8.554 -4.288 1.00 0.00 N +ATOM 737 CA LEU A 584 -6.807 -9.089 -4.699 1.00 0.00 C +ATOM 738 C LEU A 584 -7.051 -10.356 -5.517 1.00 0.00 C +ATOM 739 O LEU A 584 -6.194 -10.805 -6.279 1.00 0.00 O +ATOM 740 CB LEU A 584 -6.032 -9.346 -3.416 1.00 0.00 C +ATOM 741 CG LEU A 584 -5.960 -10.799 -2.957 1.00 0.00 C +ATOM 742 CD1 LEU A 584 -4.844 -11.550 -3.669 1.00 0.00 C +ATOM 743 CD2 LEU A 584 -5.772 -10.868 -1.450 1.00 0.00 C +ATOM 744 H LEU A 584 -8.273 -8.637 -3.343 1.00 0.00 H +ATOM 745 HA LEU A 584 -6.291 -8.355 -5.299 1.00 0.00 H +ATOM 746 HB2 LEU A 584 -5.056 -8.957 -3.532 1.00 0.00 H +ATOM 747 HB3 LEU A 584 -6.514 -8.783 -2.632 1.00 0.00 H +ATOM 748 HG LEU A 584 -6.901 -11.274 -3.197 1.00 0.00 H +ATOM 749 HD11 LEU A 584 -4.644 -12.476 -3.149 1.00 0.00 H +ATOM 750 HD12 LEU A 584 -3.952 -10.944 -3.683 1.00 0.00 H +ATOM 751 HD13 LEU A 584 -5.146 -11.768 -4.683 1.00 0.00 H +ATOM 752 HD21 LEU A 584 -5.707 -11.902 -1.143 1.00 0.00 H +ATOM 753 HD22 LEU A 584 -6.613 -10.398 -0.961 1.00 0.00 H +ATOM 754 HD23 LEU A 584 -4.864 -10.353 -1.177 1.00 0.00 H +ATOM 755 N GLY A 585 -8.255 -10.908 -5.349 1.00 0.00 N +ATOM 756 CA GLY A 585 -8.639 -12.106 -6.070 1.00 0.00 C +ATOM 757 C GLY A 585 -8.562 -11.909 -7.571 1.00 0.00 C +ATOM 758 O GLY A 585 -7.653 -12.421 -8.227 1.00 0.00 O +ATOM 759 H GLY A 585 -8.874 -10.482 -4.714 1.00 0.00 H +ATOM 760 HA2 GLY A 585 -7.981 -12.915 -5.786 1.00 0.00 H +ATOM 761 HA3 GLY A 585 -9.651 -12.367 -5.803 1.00 0.00 H +ATOM 762 N SER A 586 -9.519 -11.164 -8.114 1.00 0.00 N +ATOM 763 CA SER A 586 -9.559 -10.882 -9.545 1.00 0.00 C +ATOM 764 C SER A 586 -10.152 -9.501 -9.801 1.00 0.00 C +ATOM 765 O SER A 586 -9.489 -8.620 -10.349 1.00 0.00 O +ATOM 766 CB SER A 586 -10.379 -11.945 -10.277 1.00 0.00 C +ATOM 767 OG SER A 586 -9.819 -13.234 -10.102 1.00 0.00 O +ATOM 768 H SER A 586 -10.223 -10.800 -7.538 1.00 0.00 H +ATOM 769 HA SER A 586 -8.543 -10.901 -9.915 1.00 0.00 H +ATOM 770 HB2 SER A 586 -11.387 -11.948 -9.892 1.00 0.00 H +ATOM 771 HB3 SER A 586 -10.399 -11.716 -11.333 1.00 0.00 H +ATOM 772 HG SER A 586 -10.407 -13.894 -10.477 1.00 0.00 H +ATOM 773 N SER A 587 -11.404 -9.321 -9.395 1.00 0.00 N +ATOM 774 CA SER A 587 -12.096 -8.049 -9.575 1.00 0.00 C +ATOM 775 C SER A 587 -11.543 -6.988 -8.627 1.00 0.00 C +ATOM 776 O SER A 587 -12.056 -6.883 -7.493 1.00 0.00 O +ATOM 777 CB SER A 587 -13.599 -8.225 -9.344 1.00 0.00 C +ATOM 778 OG SER A 587 -14.289 -7.001 -9.519 1.00 0.00 O +ATOM 779 OXT SER A 587 -10.602 -6.271 -9.026 1.00 0.00 O +ATOM 780 H SER A 587 -11.877 -10.065 -8.966 1.00 0.00 H +ATOM 781 HA SER A 587 -11.934 -7.726 -10.591 1.00 0.00 H +ATOM 782 HB2 SER A 587 -13.987 -8.948 -10.045 1.00 0.00 H +ATOM 783 HB3 SER A 587 -13.765 -8.577 -8.336 1.00 0.00 H +ATOM 784 HG SER A 587 -13.743 -6.277 -9.205 1.00 0.00 H Added: SwiftApps/modFTdock/input/indata/2kb9-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2kb9-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2kb9-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,655 @@ +ATOM 1 N ARG A 1 1.329 0.000 0.000 1.00 0.00 N +ATOM 2 CA ARG A 1 2.093 -0.000 -1.242 1.00 20.13 C +ATOM 3 C ARG A 1 1.196 0.328 -2.432 1.00 21.31 C +ATOM 4 O ARG A 1 1.608 1.024 -3.360 1.00 40.02 O +ATOM 5 CB ARG A 1 2.763 -1.359 -1.453 1.00 72.12 C +ATOM 6 CG ARG A 1 4.281 -1.305 -1.402 1.00 11.53 C +ATOM 7 CD ARG A 1 4.894 -1.563 -2.769 1.00 43.31 C +ATOM 8 NE ARG A 1 4.363 -0.659 -3.786 1.00 65.35 N +ATOM 9 CZ ARG A 1 4.657 -0.754 -5.078 1.00 43.35 C +ATOM 10 NH1 ARG A 1 5.473 -1.707 -5.508 1.00 51.54 N +ATOM 11 NH2 ARG A 1 4.135 0.106 -5.944 1.00 15.05 N +ATOM 12 H1 ARG A 1 1.807 0.001 0.855 1.00 24.14 H +ATOM 13 HA ARG A 1 2.857 0.759 -1.162 1.00 14.04 H +ATOM 14 HB2 ARG A 1 2.423 -2.039 -0.685 1.00 51.53 H +ATOM 15 HB3 ARG A 1 2.471 -1.744 -2.418 1.00 74.44 H +ATOM 16 HG2 ARG A 1 4.585 -0.326 -1.062 1.00 44.51 H +ATOM 17 HG3 ARG A 1 4.635 -2.054 -0.710 1.00 63.21 H +ATOM 18 HD2 ARG A 1 5.963 -1.425 -2.701 1.00 40.43 H +ATOM 19 HD3 ARG A 1 4.681 -2.581 -3.058 1.00 14.11 H +ATOM 20 HE ARG A 1 3.759 0.052 -3.491 1.00 13.23 H +ATOM 21 HH11 ARG A 1 5.867 -2.356 -4.859 1.00 24.30 H +ATOM 22 HH12 ARG A 1 5.692 -1.776 -6.482 1.00 35.20 H +ATOM 23 HH21 ARG A 1 3.519 0.826 -5.623 1.00 61.52 H +ATOM 24 HH22 ARG A 1 4.356 0.034 -6.915 1.00 43.34 H +ATOM 25 N CYS A 2 -0.032 -0.179 -2.398 1.00 63.21 N +ATOM 26 CA CYS A 2 -0.987 0.058 -3.473 1.00 73.13 C +ATOM 27 C CYS A 2 -2.353 -0.527 -3.126 1.00 13.11 C +ATOM 28 O CYS A 2 -2.446 -1.589 -2.511 1.00 61.14 O +ATOM 29 CB CYS A 2 -0.477 -0.551 -4.781 1.00 31.12 C +ATOM 30 SG CYS A 2 -0.067 -2.322 -4.666 1.00 22.33 S +ATOM 31 H CYS A 2 -0.302 -0.727 -1.631 1.00 33.02 H +ATOM 32 HA CYS A 2 -1.088 1.125 -3.599 1.00 2.23 H +ATOM 33 HB2 CYS A 2 -1.236 -0.439 -5.541 1.00 74.43 H +ATOM 34 HB3 CYS A 2 0.414 -0.026 -5.090 1.00 4.10 H +ATOM 35 N GLN A 3 -3.410 0.174 -3.524 1.00 43.41 N +ATOM 36 CA GLN A 3 -4.770 -0.275 -3.254 1.00 73.24 C +ATOM 37 C GLN A 3 -5.778 0.510 -4.087 1.00 52.12 C +ATOM 38 O GLN A 3 -6.724 -0.058 -4.634 1.00 21.34 O +ATOM 39 CB GLN A 3 -5.094 -0.126 -1.767 1.00 23.22 C +ATOM 40 CG GLN A 3 -4.662 1.209 -1.181 1.00 74.31 C +ATOM 41 CD GLN A 3 -5.035 1.352 0.281 1.00 14.22 C +ATOM 42 OE1 GLN A 3 -4.288 0.939 1.168 1.00 44.20 O +ATOM 43 NE2 GLN A 3 -6.197 1.940 0.541 1.00 13.31 N +ATOM 44 H GLN A 3 -3.271 1.013 -4.010 1.00 1.41 H +ATOM 45 HA GLN A 3 -4.834 -1.318 -3.525 1.00 31.35 H +ATOM 46 HB2 GLN A 3 -6.160 -0.227 -1.630 1.00 60.45 H +ATOM 47 HB3 GLN A 3 -4.593 -0.912 -1.221 1.00 62.43 H +ATOM 48 HG2 GLN A 3 -3.590 1.298 -1.273 1.00 52.33 H +ATOM 49 HG3 GLN A 3 -5.138 2.002 -1.739 1.00 30.03 H +ATOM 50 HE21 GLN A 3 -6.742 2.243 -0.216 1.00 42.31 H +ATOM 51 HE22 GLN A 3 -6.464 2.045 1.477 1.00 4.54 H +ATOM 52 N TYR A 4 -5.570 1.819 -4.179 1.00 61.34 N +ATOM 53 CA TYR A 4 -6.462 2.683 -4.943 1.00 71.33 C +ATOM 54 C TYR A 4 -6.023 2.766 -6.402 1.00 3.11 C +ATOM 55 O TYR A 4 -4.934 3.250 -6.707 1.00 65.44 O +ATOM 56 CB TYR A 4 -6.499 4.083 -4.329 1.00 53.13 C +ATOM 57 CG TYR A 4 -7.880 4.700 -4.311 1.00 23.21 C +ATOM 58 CD1 TYR A 4 -8.644 4.775 -5.469 1.00 10.34 C +ATOM 59 CD2 TYR A 4 -8.420 5.206 -3.135 1.00 50.00 C +ATOM 60 CE1 TYR A 4 -9.905 5.339 -5.456 1.00 73.44 C +ATOM 61 CE2 TYR A 4 -9.681 5.770 -3.113 1.00 71.31 C +ATOM 62 CZ TYR A 4 -10.420 5.834 -4.276 1.00 45.23 C +ATOM 63 OH TYR A 4 -11.676 6.395 -4.260 1.00 32.33 O +ATOM 64 H TYR A 4 -4.799 2.214 -3.722 1.00 21.24 H +ATOM 65 HA TYR A 4 -7.453 2.256 -4.902 1.00 34.44 H +ATOM 66 HB2 TYR A 4 -6.146 4.032 -3.311 1.00 32.11 H +ATOM 67 HB3 TYR A 4 -5.852 4.735 -4.897 1.00 41.14 H +ATOM 68 HD1 TYR A 4 -8.238 4.386 -6.391 1.00 73.22 H +ATOM 69 HD2 TYR A 4 -7.839 5.154 -2.225 1.00 52.24 H +ATOM 70 HE1 TYR A 4 -10.484 5.389 -6.367 1.00 21.31 H +ATOM 71 HE2 TYR A 4 -10.084 6.158 -2.189 1.00 52.24 H +ATOM 72 HH TYR A 4 -11.773 6.986 -5.010 1.00 62.53 H +ATOM 73 N GLY A 5 -6.881 2.291 -7.300 1.00 24.02 N +ATOM 74 CA GLY A 5 -6.565 2.321 -8.716 1.00 23.11 C +ATOM 75 C GLY A 5 -5.578 1.241 -9.113 1.00 2.02 C +ATOM 76 O GLY A 5 -4.843 1.391 -10.089 1.00 1.11 O +ATOM 77 H GLY A 5 -7.735 1.917 -6.998 1.00 61.11 H +ATOM 78 HA2 GLY A 5 -7.476 2.186 -9.280 1.00 3.52 H +ATOM 79 HA3 GLY A 5 -6.142 3.285 -8.958 1.00 52.04 H +ATOM 80 N TRP A 6 -5.560 0.151 -8.354 1.00 45.22 N +ATOM 81 CA TRP A 6 -4.653 -0.958 -8.631 1.00 54.35 C +ATOM 82 C TRP A 6 -5.257 -2.281 -8.175 1.00 73.23 C +ATOM 83 O TRP A 6 -5.341 -2.555 -6.978 1.00 43.14 O +ATOM 84 CB TRP A 6 -3.309 -0.730 -7.938 1.00 72.31 C +ATOM 85 CG TRP A 6 -2.525 0.406 -8.521 1.00 42.10 C +ATOM 86 CD1 TRP A 6 -2.206 1.583 -7.905 1.00 70.34 C +ATOM 87 CD2 TRP A 6 -1.962 0.474 -9.836 1.00 34.41 C +ATOM 88 NE1 TRP A 6 -1.479 2.378 -8.759 1.00 33.24 N +ATOM 89 CE2 TRP A 6 -1.316 1.720 -9.949 1.00 24.12 C +ATOM 90 CE3 TRP A 6 -1.940 -0.398 -10.928 1.00 54.11 C +ATOM 91 CZ2 TRP A 6 -0.657 2.114 -11.110 1.00 63.34 C +ATOM 92 CZ3 TRP A 6 -1.286 -0.005 -12.080 1.00 74.43 C +ATOM 93 CH2 TRP A 6 -0.651 1.241 -12.164 1.00 71.32 C +ATOM 94 H TRP A 6 -6.170 0.090 -7.589 1.00 43.23 H +ATOM 95 HA TRP A 6 -4.495 -0.996 -9.699 1.00 75.42 H +ATOM 96 HB2 TRP A 6 -3.481 -0.515 -6.894 1.00 73.51 H +ATOM 97 HB3 TRP A 6 -2.712 -1.627 -8.024 1.00 13.12 H +ATOM 98 HD1 TRP A 6 -2.492 1.838 -6.896 1.00 62.15 H +ATOM 99 HE1 TRP A 6 -1.133 3.271 -8.548 1.00 31.53 H +ATOM 100 HE3 TRP A 6 -2.424 -1.362 -10.883 1.00 32.53 H +ATOM 101 HZ2 TRP A 6 -0.162 3.071 -11.190 1.00 62.45 H +ATOM 102 HZ3 TRP A 6 -1.259 -0.666 -12.935 1.00 13.51 H +ATOM 103 HH2 TRP A 6 -0.153 1.506 -13.084 1.00 23.32 H +ATOM 104 N GLN A 7 -5.676 -3.098 -9.136 1.00 75.03 N +ATOM 105 CA GLN A 7 -6.273 -4.393 -8.831 1.00 71.02 C +ATOM 106 C GLN A 7 -5.400 -5.531 -9.351 1.00 12.42 C +ATOM 107 O GLN A 7 -4.272 -5.310 -9.788 1.00 63.44 O +ATOM 108 CB GLN A 7 -7.673 -4.489 -9.440 1.00 60.53 C +ATOM 109 CG GLN A 7 -7.671 -4.587 -10.957 1.00 60.43 C +ATOM 110 CD GLN A 7 -9.052 -4.842 -11.528 1.00 14.35 C +ATOM 111 OE1 GLN A 7 -9.231 -5.700 -12.392 1.00 34.21 O +ATOM 112 NE2 GLN A 7 -10.039 -4.095 -11.045 1.00 41.14 N +ATOM 113 H GLN A 7 -5.583 -2.823 -10.072 1.00 22.43 H +ATOM 114 HA GLN A 7 -6.351 -4.477 -7.758 1.00 31.31 H +ATOM 115 HB2 GLN A 7 -8.165 -5.365 -9.045 1.00 32.41 H +ATOM 116 HB3 GLN A 7 -8.236 -3.612 -9.159 1.00 12.01 H +ATOM 117 HG2 GLN A 7 -7.296 -3.660 -11.365 1.00 23.42 H +ATOM 118 HG3 GLN A 7 -7.021 -5.398 -11.252 1.00 2.03 H +ATOM 119 HE21 GLN A 7 -9.822 -3.429 -10.359 1.00 22.44 H +ATOM 120 HE22 GLN A 7 -10.942 -4.237 -11.397 1.00 24.54 H +ATOM 121 N GLY A 8 -5.931 -6.749 -9.299 1.00 2.33 N +ATOM 122 CA GLY A 8 -5.186 -7.903 -9.767 1.00 10.12 C +ATOM 123 C GLY A 8 -4.753 -8.812 -8.634 1.00 33.13 C +ATOM 124 O GLY A 8 -4.970 -8.502 -7.461 1.00 72.15 O +ATOM 125 H GLY A 8 -6.835 -6.864 -8.940 1.00 34.45 H +ATOM 126 HA2 GLY A 8 -5.806 -8.465 -10.449 1.00 62.11 H +ATOM 127 HA3 GLY A 8 -4.307 -7.560 -10.293 1.00 73.44 H +ATOM 128 N LEU A 9 -4.141 -9.938 -8.982 1.00 72.41 N +ATOM 129 CA LEU A 9 -3.678 -10.897 -7.985 1.00 60.41 C +ATOM 130 C LEU A 9 -2.817 -10.212 -6.929 1.00 62.01 C +ATOM 131 O LEU A 9 -2.835 -10.590 -5.758 1.00 22.44 O +ATOM 132 CB LEU A 9 -2.884 -12.019 -8.658 1.00 12.23 C +ATOM 133 CG LEU A 9 -2.470 -13.182 -7.756 1.00 34.31 C +ATOM 134 CD1 LEU A 9 -3.668 -14.065 -7.439 1.00 40.54 C +ATOM 135 CD2 LEU A 9 -1.364 -13.997 -8.410 1.00 42.40 C +ATOM 136 H LEU A 9 -3.997 -10.131 -9.932 1.00 4.43 H +ATOM 137 HA LEU A 9 -4.547 -11.321 -7.504 1.00 50.01 H +ATOM 138 HB2 LEU A 9 -3.489 -12.419 -9.456 1.00 74.05 H +ATOM 139 HB3 LEU A 9 -1.986 -11.584 -9.072 1.00 64.21 H +ATOM 140 HG LEU A 9 -2.091 -12.789 -6.823 1.00 5.11 H +ATOM 141 HD11 LEU A 9 -4.210 -13.649 -6.604 1.00 14.21 H +ATOM 142 HD12 LEU A 9 -3.327 -15.058 -7.189 1.00 21.11 H +ATOM 143 HD13 LEU A 9 -4.316 -14.114 -8.302 1.00 15.11 H +ATOM 144 HD21 LEU A 9 -1.304 -14.966 -7.939 1.00 23.23 H +ATOM 145 HD22 LEU A 9 -0.422 -13.481 -8.295 1.00 1.21 H +ATOM 146 HD23 LEU A 9 -1.581 -14.119 -9.461 1.00 63.34 H +ATOM 147 N TYR A 10 -2.065 -9.201 -7.351 1.00 75.11 N +ATOM 148 CA TYR A 10 -1.197 -8.463 -6.442 1.00 12.41 C +ATOM 149 C TYR A 10 -1.308 -6.960 -6.683 1.00 33.25 C +ATOM 150 O TYR A 10 -1.918 -6.236 -5.895 1.00 34.52 O +ATOM 151 CB TYR A 10 0.255 -8.912 -6.613 1.00 10.34 C +ATOM 152 CG TYR A 10 0.588 -10.183 -5.865 1.00 15.03 C +ATOM 153 CD1 TYR A 10 0.405 -11.427 -6.455 1.00 62.44 C +ATOM 154 CD2 TYR A 10 1.083 -10.140 -4.567 1.00 70.14 C +ATOM 155 CE1 TYR A 10 0.707 -12.592 -5.776 1.00 10.21 C +ATOM 156 CE2 TYR A 10 1.389 -11.299 -3.881 1.00 32.11 C +ATOM 157 CZ TYR A 10 1.199 -12.522 -4.489 1.00 71.42 C +ATOM 158 OH TYR A 10 1.501 -13.679 -3.808 1.00 61.31 O +ATOM 159 H TYR A 10 -2.094 -8.946 -8.297 1.00 21.22 H +ATOM 160 HA TYR A 10 -1.514 -8.678 -5.432 1.00 71.40 H +ATOM 161 HB2 TYR A 10 0.451 -9.083 -7.660 1.00 0.23 H +ATOM 162 HB3 TYR A 10 0.910 -8.133 -6.251 1.00 43.32 H +ATOM 163 HD1 TYR A 10 0.020 -11.479 -7.464 1.00 13.45 H +ATOM 164 HD2 TYR A 10 1.230 -9.180 -4.094 1.00 21.12 H +ATOM 165 HE1 TYR A 10 0.559 -13.550 -6.252 1.00 13.02 H +ATOM 166 HE2 TYR A 10 1.774 -11.245 -2.873 1.00 74.02 H +ATOM 167 HH TYR A 10 0.775 -13.904 -3.222 1.00 32.13 H +ATOM 168 N CYS A 11 -0.714 -6.498 -7.778 1.00 15.55 N +ATOM 169 CA CYS A 11 -0.745 -5.082 -8.125 1.00 13.02 C +ATOM 170 C CYS A 11 -0.005 -4.827 -9.435 1.00 13.02 C +ATOM 171 O CYS A 11 1.196 -4.557 -9.439 1.00 12.32 O +ATOM 172 CB CYS A 11 -0.123 -4.247 -7.004 1.00 12.20 C +ATOM 173 SG CYS A 11 -1.315 -3.202 -6.106 1.00 31.22 S +ATOM 174 H CYS A 11 -0.243 -7.124 -8.367 1.00 52.12 H +ATOM 175 HA CYS A 11 -1.778 -4.792 -8.247 1.00 21.52 H +ATOM 176 HB2 CYS A 11 0.338 -4.909 -6.286 1.00 4.01 H +ATOM 177 HB3 CYS A 11 0.631 -3.599 -7.425 1.00 2.43 H +ATOM 178 N ASP A 12 -0.731 -4.915 -10.544 1.00 42.21 N +ATOM 179 CA ASP A 12 -0.144 -4.692 -11.861 1.00 34.43 C +ATOM 180 C ASP A 12 -1.228 -4.426 -12.900 1.00 55.14 C +ATOM 181 O ASP A 12 -1.218 -5.005 -13.987 1.00 32.33 O +ATOM 182 CB ASP A 12 0.695 -5.900 -12.279 1.00 61.43 C +ATOM 183 CG ASP A 12 1.637 -5.582 -13.424 1.00 74.42 C +ATOM 184 OD1 ASP A 12 1.614 -4.432 -13.909 1.00 51.34 O +ATOM 185 OD2 ASP A 12 2.397 -6.484 -13.834 1.00 51.15 O +ATOM 186 H ASP A 12 -1.684 -5.134 -10.476 1.00 1.31 H +ATOM 187 HA ASP A 12 0.496 -3.826 -11.797 1.00 12.35 H +ATOM 188 HB2 ASP A 12 1.283 -6.232 -11.436 1.00 4.43 H +ATOM 189 HB3 ASP A 12 0.036 -6.698 -12.589 1.00 65.31 H +ATOM 190 N LYS A 13 -2.164 -3.546 -12.560 1.00 30.01 N +ATOM 191 CA LYS A 13 -3.256 -3.202 -13.463 1.00 1.53 C +ATOM 192 C LYS A 13 -4.008 -1.972 -12.963 1.00 22.10 C +ATOM 193 O LYS A 13 -4.453 -1.928 -11.816 1.00 2.34 O +ATOM 194 CB LYS A 13 -4.221 -4.381 -13.602 1.00 51.12 C +ATOM 195 CG LYS A 13 -4.027 -5.178 -14.881 1.00 1.15 C +ATOM 196 CD LYS A 13 -5.332 -5.790 -15.360 1.00 34.22 C +ATOM 197 CE LYS A 13 -5.630 -7.099 -14.644 1.00 14.54 C +ATOM 198 NZ LYS A 13 -6.708 -7.870 -15.323 1.00 13.42 N +ATOM 199 H LYS A 13 -2.118 -3.117 -11.679 1.00 54.24 H +ATOM 200 HA LYS A 13 -2.830 -2.980 -14.429 1.00 42.24 H +ATOM 201 HB2 LYS A 13 -4.081 -5.046 -12.763 1.00 73.20 H +ATOM 202 HB3 LYS A 13 -5.234 -4.005 -13.588 1.00 31.13 H +ATOM 203 HG2 LYS A 13 -3.646 -4.522 -15.649 1.00 52.30 H +ATOM 204 HG3 LYS A 13 -3.315 -5.970 -14.696 1.00 1.25 H +ATOM 205 HD2 LYS A 13 -6.137 -5.097 -15.168 1.00 14.53 H +ATOM 206 HD3 LYS A 13 -5.263 -5.979 -16.422 1.00 1.22 H +ATOM 207 HE2 LYS A 13 -4.731 -7.695 -14.623 1.00 34.14 H +ATOM 208 HE3 LYS A 13 -5.940 -6.878 -13.633 1.00 4.34 H +ATOM 209 HZ1 LYS A 13 -6.546 -8.890 -15.205 1.00 54.02 H +ATOM 210 HZ2 LYS A 13 -6.721 -7.646 -16.339 1.00 13.05 H +ATOM 211 HZ3 LYS A 13 -7.633 -7.627 -14.914 1.00 51.43 H +ATOM 212 N CYS A 14 -4.147 -0.976 -13.831 1.00 75.14 N +ATOM 213 CA CYS A 14 -4.846 0.254 -13.479 1.00 74.12 C +ATOM 214 C CYS A 14 -6.297 0.210 -13.952 1.00 45.15 C +ATOM 215 O CYS A 14 -6.912 1.248 -14.196 1.00 12.42 O +ATOM 216 CB CYS A 14 -4.135 1.462 -14.091 1.00 11.52 C +ATOM 217 SG CYS A 14 -4.330 1.604 -15.897 1.00 3.45 S +ATOM 218 H CYS A 14 -3.771 -1.070 -14.732 1.00 63.22 H +ATOM 219 HA CYS A 14 -4.834 0.346 -12.404 1.00 14.31 H +ATOM 220 HB2 CYS A 14 -4.529 2.365 -13.647 1.00 13.11 H +ATOM 221 HB3 CYS A 14 -3.079 1.395 -13.878 1.00 24.42 H +ATOM 222 N ILE A 15 -6.835 -0.998 -14.080 1.00 51.22 N +ATOM 223 CA ILE A 15 -8.212 -1.177 -14.523 1.00 13.24 C +ATOM 224 C ILE A 15 -8.478 -0.415 -15.816 1.00 45.54 C +ATOM 225 O ILE A 15 -9.088 0.655 -15.822 1.00 61.32 O +ATOM 226 CB ILE A 15 -9.214 -0.709 -13.450 1.00 5.01 C +ATOM 227 CG1 ILE A 15 -8.633 -0.925 -12.051 1.00 35.53 C +ATOM 228 CG2 ILE A 15 -10.535 -1.447 -13.601 1.00 53.13 C +ATOM 229 CD1 ILE A 15 -9.590 -0.560 -10.937 1.00 5.30 C +ATOM 230 H ILE A 15 -6.294 -1.787 -13.871 1.00 63.22 H +ATOM 231 HA ILE A 15 -8.371 -2.231 -14.699 1.00 40.13 H +ATOM 232 HB ILE A 15 -9.398 0.344 -13.596 1.00 40.24 H +ATOM 233 HG12 ILE A 15 -8.371 -1.965 -11.933 1.00 42.14 H +ATOM 234 HG13 ILE A 15 -7.746 -0.319 -11.940 1.00 22.44 H +ATOM 235 HG21 ILE A 15 -10.534 -2.322 -12.968 1.00 4.32 H +ATOM 236 HG22 ILE A 15 -11.346 -0.795 -13.312 1.00 20.45 H +ATOM 237 HG23 ILE A 15 -10.664 -1.748 -14.630 1.00 53.40 H +ATOM 238 HD11 ILE A 15 -9.028 -0.220 -10.078 1.00 73.21 H +ATOM 239 HD12 ILE A 15 -10.247 0.230 -11.271 1.00 23.32 H +ATOM 240 HD13 ILE A 15 -10.174 -1.425 -10.665 1.00 32.32 H +ATOM 241 N PRO A 16 -8.010 -0.977 -16.941 1.00 10.22 N +ATOM 242 CA PRO A 16 -8.187 -0.368 -18.263 1.00 23.42 C +ATOM 243 C PRO A 16 -9.638 -0.408 -18.730 1.00 2.11 C +ATOM 244 O PRO A 16 -10.050 0.388 -19.575 1.00 35.45 O +ATOM 245 CB PRO A 16 -7.309 -1.233 -19.171 1.00 42.33 C +ATOM 246 CG PRO A 16 -7.232 -2.551 -18.481 1.00 41.21 C +ATOM 247 CD PRO A 16 -7.273 -2.250 -17.008 1.00 75.14 C +ATOM 248 HA PRO A 16 -7.832 0.652 -18.281 1.00 24.43 H +ATOM 249 HB2 PRO A 16 -7.771 -1.322 -20.144 1.00 53.33 H +ATOM 250 HB3 PRO A 16 -6.333 -0.782 -19.270 1.00 50.42 H +ATOM 251 HG2 PRO A 16 -8.075 -3.163 -18.763 1.00 11.30 H +ATOM 252 HG3 PRO A 16 -6.306 -3.045 -18.736 1.00 40.33 H +ATOM 253 HD2 PRO A 16 -7.801 -3.029 -16.479 1.00 32.51 H +ATOM 254 HD3 PRO A 16 -6.273 -2.137 -16.618 1.00 2.01 H +ATOM 255 N HIS A 17 -10.408 -1.338 -18.175 1.00 32.21 N +ATOM 256 CA HIS A 17 -11.815 -1.480 -18.534 1.00 63.24 C +ATOM 257 C HIS A 17 -12.524 -0.130 -18.497 1.00 31.03 C +ATOM 258 O HIS A 17 -13.009 0.372 -19.511 1.00 2.42 O +ATOM 259 CB HIS A 17 -12.508 -2.461 -17.588 1.00 53.41 C +ATOM 260 CG HIS A 17 -12.757 -3.806 -18.197 1.00 33.12 C +ATOM 261 ND1 HIS A 17 -13.830 -4.601 -17.852 1.00 71.14 N +ATOM 262 CD2 HIS A 17 -12.066 -4.495 -19.134 1.00 62.52 C +ATOM 263 CE1 HIS A 17 -13.787 -5.722 -18.550 1.00 43.12 C +ATOM 264 NE2 HIS A 17 -12.726 -5.683 -19.336 1.00 42.31 N +ATOM 265 H HIS A 17 -10.022 -1.943 -17.508 1.00 2.22 H +ATOM 266 HA HIS A 17 -11.862 -1.870 -19.540 1.00 52.40 H +ATOM 267 HB2 HIS A 17 -11.892 -2.602 -16.712 1.00 72.13 H +ATOM 268 HB3 HIS A 17 -13.462 -2.049 -17.289 1.00 64.11 H +ATOM 269 HD1 HIS A 17 -14.519 -4.378 -17.193 1.00 55.33 H +ATOM 270 HD2 HIS A 17 -11.162 -4.173 -19.632 1.00 2.45 H +ATOM 271 HE1 HIS A 17 -14.497 -6.532 -18.490 1.00 34.53 H +ATOM 272 N PRO A 18 -12.588 0.472 -17.300 1.00 12.21 N +ATOM 273 CA PRO A 18 -13.237 1.772 -17.101 1.00 63.23 C +ATOM 274 C PRO A 18 -12.456 2.913 -17.743 1.00 42.44 C +ATOM 275 O PRO A 18 -11.681 3.599 -17.078 1.00 42.43 O +ATOM 276 CB PRO A 18 -13.258 1.929 -15.579 1.00 33.52 C +ATOM 277 CG PRO A 18 -12.125 1.091 -15.096 1.00 32.44 C +ATOM 278 CD PRO A 18 -12.032 -0.069 -16.048 1.00 50.04 C +ATOM 279 HA PRO A 18 -14.249 1.772 -17.479 1.00 44.13 H +ATOM 280 HB2 PRO A 18 -13.120 2.969 -15.320 1.00 31.24 H +ATOM 281 HB3 PRO A 18 -14.202 1.577 -15.190 1.00 54.35 H +ATOM 282 HG2 PRO A 18 -11.211 1.664 -15.112 1.00 51.24 H +ATOM 283 HG3 PRO A 18 -12.330 0.738 -14.096 1.00 34.13 H +ATOM 284 HD2 PRO A 18 -11.002 -0.367 -16.181 1.00 14.31 H +ATOM 285 HD3 PRO A 18 -12.624 -0.899 -15.692 1.00 22.15 H +ATOM 286 N GLY A 19 -12.666 3.112 -19.041 1.00 62.23 N +ATOM 287 CA GLY A 19 -11.974 4.172 -19.751 1.00 72.11 C +ATOM 288 C GLY A 19 -11.326 3.685 -21.032 1.00 52.20 C +ATOM 289 O GLY A 19 -11.003 4.481 -21.914 1.00 63.14 O +ATOM 290 H GLY A 19 -13.295 2.533 -19.521 1.00 15.43 H +ATOM 291 HA2 GLY A 19 -12.682 4.951 -19.991 1.00 74.25 H +ATOM 292 HA3 GLY A 19 -11.209 4.581 -19.107 1.00 73.14 H +ATOM 293 N CYS A 20 -11.134 2.374 -21.135 1.00 1.41 N +ATOM 294 CA CYS A 20 -10.518 1.782 -22.316 1.00 31.30 C +ATOM 295 C CYS A 20 -11.060 0.377 -22.565 1.00 23.01 C +ATOM 296 O CYS A 20 -11.910 -0.113 -21.821 1.00 64.44 O +ATOM 297 CB CYS A 20 -8.998 1.733 -22.154 1.00 25.43 C +ATOM 298 SG CYS A 20 -8.113 3.066 -23.025 1.00 14.14 S +ATOM 299 H CYS A 20 -11.413 1.790 -20.398 1.00 10.52 H +ATOM 300 HA CYS A 20 -10.761 2.403 -23.164 1.00 41.33 H +ATOM 301 HB2 CYS A 20 -8.753 1.808 -21.104 1.00 43.01 H +ATOM 302 HB3 CYS A 20 -8.633 0.791 -22.536 1.00 64.12 H +ATOM 303 N VAL A 21 -10.561 -0.266 -23.616 1.00 52.23 N +ATOM 304 CA VAL A 21 -10.993 -1.614 -23.963 1.00 72.42 C +ATOM 305 C VAL A 21 -9.822 -2.590 -23.938 1.00 32.34 C +ATOM 306 O VAL A 21 -9.919 -3.678 -23.369 1.00 20.31 O +ATOM 307 CB VAL A 21 -11.649 -1.653 -25.356 1.00 43.35 C +ATOM 308 CG1 VAL A 21 -12.245 -3.025 -25.629 1.00 32.34 C +ATOM 309 CG2 VAL A 21 -12.709 -0.568 -25.476 1.00 21.40 C +ATOM 310 H VAL A 21 -9.886 0.177 -24.171 1.00 51.44 H +ATOM 311 HA VAL A 21 -11.727 -1.928 -23.235 1.00 3.14 H +ATOM 312 HB VAL A 21 -10.885 -1.463 -26.097 1.00 32.43 H +ATOM 313 HG11 VAL A 21 -13.201 -3.107 -25.132 1.00 1.02 H +ATOM 314 HG12 VAL A 21 -12.379 -3.156 -26.693 1.00 3.35 H +ATOM 315 HG13 VAL A 21 -11.579 -3.788 -25.253 1.00 1.12 H +ATOM 316 HG21 VAL A 21 -13.136 -0.589 -26.468 1.00 25.13 H +ATOM 317 HG22 VAL A 21 -13.485 -0.743 -24.746 1.00 11.12 H +ATOM 318 HG23 VAL A 21 -12.258 0.397 -25.298 1.00 54.53 H +ATOM 319 N HIS A 22 -8.715 -2.194 -24.557 1.00 41.11 N +ATOM 320 CA HIS A 22 -7.523 -3.033 -24.605 1.00 31.45 C +ATOM 321 C HIS A 22 -6.258 -2.186 -24.513 1.00 24.11 C +ATOM 322 O HIS A 22 -6.322 -0.958 -24.487 1.00 44.24 O +ATOM 323 CB HIS A 22 -7.506 -3.859 -25.891 1.00 70.03 C +ATOM 324 CG HIS A 22 -8.756 -4.655 -26.109 1.00 51.20 C +ATOM 325 ND1 HIS A 22 -9.131 -5.704 -25.297 1.00 32.11 N +ATOM 326 CD2 HIS A 22 -9.720 -4.549 -27.053 1.00 50.53 C +ATOM 327 CE1 HIS A 22 -10.271 -6.210 -25.733 1.00 61.02 C +ATOM 328 NE2 HIS A 22 -10.650 -5.526 -26.798 1.00 22.31 N +ATOM 329 H HIS A 22 -8.699 -1.316 -24.992 1.00 20.10 H +ATOM 330 HA HIS A 22 -7.555 -3.703 -23.758 1.00 51.33 H +ATOM 331 HB2 HIS A 22 -7.384 -3.196 -26.735 1.00 55.21 H +ATOM 332 HB3 HIS A 22 -6.674 -4.548 -25.858 1.00 74.24 H +ATOM 333 HD1 HIS A 22 -8.635 -6.031 -24.518 1.00 10.51 H +ATOM 334 HD2 HIS A 22 -9.753 -3.829 -27.859 1.00 45.42 H +ATOM 335 HE1 HIS A 22 -10.803 -7.041 -25.294 1.00 51.35 H +ATOM 336 N GLY A 23 -5.108 -2.852 -24.463 1.00 4.30 N +ATOM 337 CA GLY A 23 -3.844 -2.144 -24.374 1.00 0.43 C +ATOM 338 C GLY A 23 -3.155 -2.353 -23.040 1.00 63.51 C +ATOM 339 O GLY A 23 -3.237 -3.434 -22.455 1.00 0.32 O +ATOM 340 H GLY A 23 -5.117 -3.832 -24.487 1.00 14.52 H +ATOM 341 HA2 GLY A 23 -3.193 -2.490 -25.162 1.00 60.43 H +ATOM 342 HA3 GLY A 23 -4.026 -1.088 -24.509 1.00 40.52 H +ATOM 343 N ILE A 24 -2.472 -1.320 -22.560 1.00 12.35 N +ATOM 344 CA ILE A 24 -1.766 -1.397 -21.287 1.00 45.30 C +ATOM 345 C ILE A 24 -1.767 -0.048 -20.575 1.00 34.32 C +ATOM 346 O ILE A 24 -2.416 0.900 -21.018 1.00 71.33 O +ATOM 347 CB ILE A 24 -0.310 -1.861 -21.479 1.00 23.33 C +ATOM 348 CG1 ILE A 24 0.493 -0.799 -22.233 1.00 14.22 C +ATOM 349 CG2 ILE A 24 -0.271 -3.188 -22.221 1.00 62.54 C +ATOM 350 CD1 ILE A 24 1.649 -0.237 -21.436 1.00 43.14 C +ATOM 351 H ILE A 24 -2.444 -0.485 -23.072 1.00 61.54 H +ATOM 352 HA ILE A 24 -2.275 -2.120 -20.667 1.00 24.24 H +ATOM 353 HB ILE A 24 0.129 -2.009 -20.504 1.00 11.22 H +ATOM 354 HG12 ILE A 24 0.892 -1.232 -23.136 1.00 60.01 H +ATOM 355 HG13 ILE A 24 -0.163 0.021 -22.491 1.00 21.53 H +ATOM 356 HG21 ILE A 24 0.727 -3.598 -22.174 1.00 23.31 H +ATOM 357 HG22 ILE A 24 -0.964 -3.878 -21.763 1.00 0.51 H +ATOM 358 HG23 ILE A 24 -0.547 -3.032 -23.253 1.00 71.22 H +ATOM 359 HD11 ILE A 24 1.793 0.802 -21.696 1.00 5.33 H +ATOM 360 HD12 ILE A 24 1.433 -0.316 -20.381 1.00 71.53 H +ATOM 361 HD13 ILE A 24 2.547 -0.792 -21.664 1.00 11.32 H +ATOM 362 N CYS A 25 -1.036 0.031 -19.468 1.00 44.25 N +ATOM 363 CA CYS A 25 -0.951 1.264 -18.694 1.00 63.52 C +ATOM 364 C CYS A 25 0.061 1.125 -17.560 1.00 63.14 C +ATOM 365 O CYS A 25 0.288 0.030 -17.047 1.00 73.04 O +ATOM 366 CB CYS A 25 -2.323 1.629 -18.126 1.00 32.15 C +ATOM 367 SG CYS A 25 -2.881 0.543 -16.773 1.00 43.30 S +ATOM 368 H CYS A 25 -0.540 -0.759 -19.165 1.00 12.04 H +ATOM 369 HA CYS A 25 -0.624 2.050 -19.357 1.00 53.31 H +ATOM 370 HB2 CYS A 25 -2.288 2.638 -17.742 1.00 54.42 H +ATOM 371 HB3 CYS A 25 -3.058 1.575 -18.915 1.00 63.44 H +ATOM 372 N ASN A 26 0.666 2.244 -17.175 1.00 25.42 N +ATOM 373 CA ASN A 26 1.655 2.247 -16.102 1.00 55.41 C +ATOM 374 C ASN A 26 1.172 3.084 -14.921 1.00 40.00 C +ATOM 375 O ASN A 26 1.576 2.856 -13.781 1.00 53.52 O +ATOM 376 CB ASN A 26 2.991 2.789 -16.613 1.00 51.43 C +ATOM 377 CG ASN A 26 4.077 2.742 -15.556 1.00 32.32 C +ATOM 378 OD1 ASN A 26 4.430 1.671 -15.061 1.00 44.22 O +ATOM 379 ND2 ASN A 26 4.611 3.905 -15.204 1.00 2.21 N +ATOM 380 H ASN A 26 0.444 3.087 -17.622 1.00 71.42 H +ATOM 381 HA ASN A 26 1.791 1.228 -15.774 1.00 45.02 H +ATOM 382 HB2 ASN A 26 3.312 2.198 -17.459 1.00 5.35 H +ATOM 383 HB3 ASN A 26 2.862 3.815 -16.925 1.00 34.02 H +ATOM 384 HD21 ASN A 26 4.280 4.718 -15.640 1.00 11.10 H +ATOM 385 HD22 ASN A 26 5.316 3.903 -14.523 1.00 12.32 H +ATOM 386 N GLU A 27 0.306 4.052 -15.203 1.00 54.02 N +ATOM 387 CA GLU A 27 -0.231 4.922 -14.164 1.00 15.42 C +ATOM 388 C GLU A 27 -1.703 4.613 -13.902 1.00 3.31 C +ATOM 389 O GLU A 27 -2.392 4.007 -14.723 1.00 5.21 O +ATOM 390 CB GLU A 27 -0.071 6.391 -14.564 1.00 21.43 C +ATOM 391 CG GLU A 27 1.146 7.060 -13.947 1.00 34.14 C +ATOM 392 CD GLU A 27 1.278 8.515 -14.350 1.00 43.55 C +ATOM 393 OE1 GLU A 27 0.332 9.290 -14.099 1.00 2.35 O +ATOM 394 OE2 GLU A 27 2.329 8.879 -14.919 1.00 4.44 O +ATOM 395 H GLU A 27 0.022 4.184 -16.132 1.00 14.23 H +ATOM 396 HA GLU A 27 0.328 4.742 -13.259 1.00 3.44 H +ATOM 397 HB2 GLU A 27 0.017 6.451 -15.639 1.00 14.05 H +ATOM 398 HB3 GLU A 27 -0.951 6.934 -14.252 1.00 61.23 H +ATOM 399 HG2 GLU A 27 1.063 7.007 -12.871 1.00 62.04 H +ATOM 400 HG3 GLU A 27 2.032 6.531 -14.265 1.00 31.01 H +ATOM 401 N PRO A 28 -2.197 5.039 -12.730 1.00 23.23 N +ATOM 402 CA PRO A 28 -3.590 4.819 -12.331 1.00 52.24 C +ATOM 403 C PRO A 28 -4.567 5.650 -13.156 1.00 42.44 C +ATOM 404 O PRO A 28 -4.402 6.863 -13.294 1.00 35.35 O +ATOM 405 CB PRO A 28 -3.615 5.263 -10.867 1.00 3.13 C +ATOM 406 CG PRO A 28 -2.494 6.238 -10.748 1.00 34.14 C +ATOM 407 CD PRO A 28 -1.433 5.768 -11.703 1.00 61.41 C +ATOM 408 HA PRO A 28 -3.862 3.776 -12.398 1.00 31.23 H +ATOM 409 HB2 PRO A 28 -4.566 5.725 -10.644 1.00 35.43 H +ATOM 410 HB3 PRO A 28 -3.464 4.408 -10.225 1.00 43.20 H +ATOM 411 HG2 PRO A 28 -2.835 7.225 -11.022 1.00 34.42 H +ATOM 412 HG3 PRO A 28 -2.115 6.238 -9.737 1.00 5.14 H +ATOM 413 HD2 PRO A 28 -0.913 6.610 -12.135 1.00 14.34 H +ATOM 414 HD3 PRO A 28 -0.738 5.110 -11.201 1.00 51.24 H +ATOM 415 N TRP A 29 -5.582 4.992 -13.703 1.00 32.43 N +ATOM 416 CA TRP A 29 -6.586 5.671 -14.514 1.00 43.12 C +ATOM 417 C TRP A 29 -5.949 6.318 -15.739 1.00 64.53 C +ATOM 418 O TRP A 29 -5.867 7.542 -15.833 1.00 74.14 O +ATOM 419 CB TRP A 29 -7.312 6.730 -13.683 1.00 1.00 C +ATOM 420 CG TRP A 29 -7.753 6.231 -12.340 1.00 43.50 C +ATOM 421 CD1 TRP A 29 -7.559 6.844 -11.135 1.00 33.44 C +ATOM 422 CD2 TRP A 29 -8.459 5.017 -12.067 1.00 33.34 C +ATOM 423 NE1 TRP A 29 -8.103 6.082 -10.128 1.00 51.32 N +ATOM 424 CE2 TRP A 29 -8.662 4.957 -10.674 1.00 1.12 C +ATOM 425 CE3 TRP A 29 -8.942 3.975 -12.863 1.00 34.45 C +ATOM 426 CZ2 TRP A 29 -9.325 3.896 -10.063 1.00 51.02 C +ATOM 427 CZ3 TRP A 29 -9.600 2.922 -12.255 1.00 11.21 C +ATOM 428 CH2 TRP A 29 -9.787 2.889 -10.867 1.00 14.44 C +ATOM 429 H TRP A 29 -5.659 4.025 -13.557 1.00 53.23 H +ATOM 430 HA TRP A 29 -7.301 4.932 -14.843 1.00 31.42 H +ATOM 431 HB2 TRP A 29 -6.652 7.570 -13.526 1.00 55.54 H +ATOM 432 HB3 TRP A 29 -8.189 7.060 -14.221 1.00 44.32 H +ATOM 433 HD1 TRP A 29 -7.050 7.786 -11.006 1.00 40.44 H +ATOM 434 HE1 TRP A 29 -8.093 6.310 -9.175 1.00 35.24 H +ATOM 435 HE3 TRP A 29 -8.808 3.982 -13.934 1.00 61.12 H +ATOM 436 HZ2 TRP A 29 -9.478 3.857 -8.994 1.00 60.55 H +ATOM 437 HZ3 TRP A 29 -9.980 2.107 -12.854 1.00 10.51 H +ATOM 438 HH2 TRP A 29 -10.307 2.048 -10.435 1.00 64.31 H +ATOM 439 N GLN A 30 -5.499 5.487 -16.675 1.00 2.33 N +ATOM 440 CA GLN A 30 -4.868 5.980 -17.894 1.00 15.24 C +ATOM 441 C GLN A 30 -5.163 5.056 -19.071 1.00 14.42 C +ATOM 442 O GLN A 30 -5.773 3.999 -18.906 1.00 65.13 O +ATOM 443 CB GLN A 30 -3.357 6.107 -17.696 1.00 0.11 C +ATOM 444 CG GLN A 30 -2.887 7.539 -17.499 1.00 14.50 C +ATOM 445 CD GLN A 30 -1.640 7.860 -18.298 1.00 63.33 C +ATOM 446 OE1 GLN A 30 -0.523 7.556 -17.877 1.00 33.32 O +ATOM 447 NE2 GLN A 30 -1.823 8.477 -19.460 1.00 25.22 N +ATOM 448 H GLN A 30 -5.593 4.522 -16.542 1.00 25.42 H +ATOM 449 HA GLN A 30 -5.277 6.956 -18.107 1.00 15.01 H +ATOM 450 HB2 GLN A 30 -3.070 5.534 -16.827 1.00 11.00 H +ATOM 451 HB3 GLN A 30 -2.857 5.704 -18.564 1.00 72.13 H +ATOM 452 HG2 GLN A 30 -3.676 8.209 -17.809 1.00 1.33 H +ATOM 453 HG3 GLN A 30 -2.676 7.694 -16.451 1.00 41.22 H +ATOM 454 HE21 GLN A 30 -2.741 8.689 -19.731 1.00 44.11 H +ATOM 455 HE22 GLN A 30 -1.034 8.696 -19.996 1.00 43.55 H +ATOM 456 N CYS A 31 -4.728 5.462 -20.259 1.00 1.43 N +ATOM 457 CA CYS A 31 -4.945 4.672 -21.464 1.00 55.45 C +ATOM 458 C CYS A 31 -3.711 4.698 -22.362 1.00 15.32 C +ATOM 459 O CYS A 31 -3.317 5.752 -22.864 1.00 75.33 O +ATOM 460 CB CYS A 31 -6.159 5.199 -22.233 1.00 13.25 C +ATOM 461 SG CYS A 31 -7.752 4.527 -21.658 1.00 21.02 S +ATOM 462 H CYS A 31 -4.248 6.315 -20.327 1.00 12.45 H +ATOM 463 HA CYS A 31 -5.135 3.653 -21.164 1.00 12.32 H +ATOM 464 HB2 CYS A 31 -6.201 6.274 -22.131 1.00 33.15 H +ATOM 465 HB3 CYS A 31 -6.053 4.946 -23.277 1.00 25.11 H +ATOM 466 N LEU A 32 -3.106 3.533 -22.559 1.00 22.40 N +ATOM 467 CA LEU A 32 -1.916 3.420 -23.396 1.00 54.31 C +ATOM 468 C LEU A 32 -2.092 2.331 -24.449 1.00 75.02 C +ATOM 469 O LEU A 32 -2.210 1.150 -24.122 1.00 73.42 O +ATOM 470 CB LEU A 32 -0.689 3.119 -22.535 1.00 2.05 C +ATOM 471 CG LEU A 32 -0.425 4.087 -21.380 1.00 71.42 C +ATOM 472 CD1 LEU A 32 0.877 3.736 -20.677 1.00 12.03 C +ATOM 473 CD2 LEU A 32 -0.391 5.522 -21.885 1.00 32.14 C +ATOM 474 H LEU A 32 -3.466 2.728 -22.132 1.00 71.12 H +ATOM 475 HA LEU A 32 -1.772 4.367 -23.895 1.00 72.14 H +ATOM 476 HB2 LEU A 32 -0.813 2.132 -22.116 1.00 63.15 H +ATOM 477 HB3 LEU A 32 0.178 3.129 -23.180 1.00 72.43 H +ATOM 478 HG LEU A 32 -1.226 4.003 -20.659 1.00 15.51 H +ATOM 479 HD11 LEU A 32 0.845 4.098 -19.660 1.00 45.24 H +ATOM 480 HD12 LEU A 32 1.703 4.197 -21.198 1.00 31.31 H +ATOM 481 HD13 LEU A 32 1.007 2.664 -20.674 1.00 33.43 H +ATOM 482 HD21 LEU A 32 0.511 6.003 -21.539 1.00 45.54 H +ATOM 483 HD22 LEU A 32 -1.251 6.056 -21.508 1.00 32.30 H +ATOM 484 HD23 LEU A 32 -0.411 5.524 -22.965 1.00 10.30 H +ATOM 485 N CYS A 33 -2.107 2.736 -25.715 1.00 34.42 N +ATOM 486 CA CYS A 33 -2.267 1.795 -26.817 1.00 71.10 C +ATOM 487 C CYS A 33 -1.322 2.137 -27.965 1.00 52.34 C +ATOM 488 O CYS A 33 -0.515 3.061 -27.864 1.00 34.34 O +ATOM 489 CB CYS A 33 -3.714 1.800 -27.314 1.00 31.01 C +ATOM 490 SG CYS A 33 -4.308 3.434 -27.857 1.00 50.21 S +ATOM 491 H CYS A 33 -2.009 3.691 -25.913 1.00 0.32 H +ATOM 492 HA CYS A 33 -2.025 0.809 -26.450 1.00 11.21 H +ATOM 493 HB2 CYS A 33 -3.801 1.124 -28.152 1.00 41.45 H +ATOM 494 HB3 CYS A 33 -4.361 1.462 -26.518 1.00 11.31 H +ATOM 495 N GLU A 34 -1.430 1.386 -29.057 1.00 2.01 N +ATOM 496 CA GLU A 34 -0.585 1.610 -30.224 1.00 4.01 C +ATOM 497 C GLU A 34 -1.155 2.718 -31.104 1.00 41.41 C +ATOM 498 O GLU A 34 -2.183 3.315 -30.783 1.00 52.44 O +ATOM 499 CB GLU A 34 -0.445 0.320 -31.035 1.00 50.33 C +ATOM 500 CG GLU A 34 0.975 -0.217 -31.085 1.00 45.33 C +ATOM 501 CD GLU A 34 1.073 -1.654 -30.611 1.00 52.15 C +ATOM 502 OE1 GLU A 34 0.657 -1.930 -29.467 1.00 12.13 O +ATOM 503 OE2 GLU A 34 1.565 -2.502 -31.385 1.00 31.04 O +ATOM 504 H GLU A 34 -2.092 0.664 -29.078 1.00 13.44 H +ATOM 505 HA GLU A 34 0.391 1.911 -29.874 1.00 1.22 H +ATOM 506 HB2 GLU A 34 -1.079 -0.437 -30.598 1.00 13.42 H +ATOM 507 HB3 GLU A 34 -0.772 0.509 -32.047 1.00 44.43 H +ATOM 508 HG2 GLU A 34 1.331 -0.165 -32.104 1.00 12.15 H +ATOM 509 HG3 GLU A 34 1.601 0.398 -30.455 1.00 64.12 H +ATOM 510 N THR A 35 -0.479 2.990 -32.216 1.00 71.45 N +ATOM 511 CA THR A 35 -0.916 4.027 -33.143 1.00 31.44 C +ATOM 512 C THR A 35 -2.072 3.539 -34.009 1.00 24.31 C +ATOM 513 O THR A 35 -2.955 4.313 -34.375 1.00 63.13 O +ATOM 514 CB THR A 35 0.236 4.486 -34.055 1.00 43.44 C +ATOM 515 OG1 THR A 35 1.375 4.844 -33.264 1.00 61.03 O +ATOM 516 CG2 THR A 35 -0.189 5.673 -34.907 1.00 44.12 C +ATOM 517 H THR A 35 0.333 2.479 -32.417 1.00 41.43 H +ATOM 518 HA THR A 35 -1.248 4.875 -32.561 1.00 65.24 H +ATOM 519 HB THR A 35 0.504 3.670 -34.710 1.00 65.33 H +ATOM 520 HG1 THR A 35 2.148 4.371 -33.583 1.00 35.42 H +ATOM 521 HG21 THR A 35 -1.180 5.987 -34.617 1.00 41.03 H +ATOM 522 HG22 THR A 35 -0.192 5.386 -35.948 1.00 74.03 H +ATOM 523 HG23 THR A 35 0.505 6.488 -34.761 1.00 33.14 H +ATOM 524 N ASN A 36 -2.059 2.250 -34.332 1.00 74.34 N +ATOM 525 CA ASN A 36 -3.108 1.659 -35.156 1.00 63.52 C +ATOM 526 C ASN A 36 -4.479 1.861 -34.519 1.00 52.25 C +ATOM 527 O ASN A 36 -5.485 1.993 -35.217 1.00 10.11 O +ATOM 528 CB ASN A 36 -2.843 0.165 -35.361 1.00 15.44 C +ATOM 529 CG ASN A 36 -3.203 -0.299 -36.759 1.00 24.33 C +ATOM 530 OD1 ASN A 36 -4.040 -1.184 -36.935 1.00 20.53 O +ATOM 531 ND2 ASN A 36 -2.569 0.297 -37.761 1.00 43.44 N +ATOM 532 H ASN A 36 -1.328 1.682 -34.010 1.00 52.41 H +ATOM 533 HA ASN A 36 -3.093 2.152 -36.116 1.00 43.31 H +ATOM 534 HB2 ASN A 36 -1.795 -0.034 -35.194 1.00 62.42 H +ATOM 535 HB3 ASN A 36 -3.430 -0.399 -34.651 1.00 52.33 H +ATOM 536 HD21 ASN A 36 -1.914 0.994 -37.546 1.00 41.43 H +ATOM 537 HD22 ASN A 36 -2.782 0.017 -38.676 1.00 32.22 H +ATOM 538 N TRP A 37 -4.511 1.885 -33.192 1.00 51.31 N +ATOM 539 CA TRP A 37 -5.759 2.073 -32.461 1.00 32.40 C +ATOM 540 C TRP A 37 -6.172 3.540 -32.456 1.00 53.22 C +ATOM 541 O TRP A 37 -5.361 4.422 -32.179 1.00 2.31 O +ATOM 542 CB TRP A 37 -5.614 1.566 -31.025 1.00 1.20 C +ATOM 543 CG TRP A 37 -5.180 0.134 -30.941 1.00 71.02 C +ATOM 544 CD1 TRP A 37 -3.935 -0.362 -31.205 1.00 32.03 C +ATOM 545 CD2 TRP A 37 -5.990 -0.987 -30.571 1.00 15.44 C +ATOM 546 NE1 TRP A 37 -3.923 -1.724 -31.020 1.00 40.41 N +ATOM 547 CE2 TRP A 37 -5.171 -2.131 -30.630 1.00 53.02 C +ATOM 548 CE3 TRP A 37 -7.328 -1.135 -30.192 1.00 45.52 C +ATOM 549 CZ2 TRP A 37 -5.648 -3.404 -30.327 1.00 4.43 C +ATOM 550 CZ3 TRP A 37 -7.799 -2.398 -29.892 1.00 22.34 C +ATOM 551 CH2 TRP A 37 -6.961 -3.519 -29.959 1.00 63.23 C +ATOM 552 H TRP A 37 -3.676 1.775 -32.691 1.00 64.52 H +ATOM 553 HA TRP A 37 -6.524 1.497 -32.960 1.00 74.24 H +ATOM 554 HB2 TRP A 37 -4.880 2.167 -30.510 1.00 44.43 H +ATOM 555 HB3 TRP A 37 -6.565 1.657 -30.521 1.00 54.13 H +ATOM 556 HD1 TRP A 37 -3.094 0.239 -31.514 1.00 11.42 H +ATOM 557 HE1 TRP A 37 -3.145 -2.308 -31.146 1.00 15.52 H +ATOM 558 HE3 TRP A 37 -7.989 -0.283 -30.134 1.00 50.31 H +ATOM 559 HZ2 TRP A 37 -5.014 -4.277 -30.374 1.00 30.34 H +ATOM 560 HZ3 TRP A 37 -8.830 -2.532 -29.598 1.00 24.13 H +ATOM 561 HH2 TRP A 37 -7.371 -4.487 -29.716 1.00 55.21 H +ATOM 562 N GLY A 38 -7.440 3.795 -32.765 1.00 73.00 N +ATOM 563 CA GLY A 38 -7.938 5.158 -32.790 1.00 72.21 C +ATOM 564 C GLY A 38 -8.842 5.467 -31.613 1.00 70.40 C +ATOM 565 O GLY A 38 -9.629 4.622 -31.187 1.00 5.01 O +ATOM 566 H GLY A 38 -8.042 3.051 -32.978 1.00 14.34 H +ATOM 567 HA2 GLY A 38 -7.099 5.837 -32.774 1.00 23.41 H +ATOM 568 HA3 GLY A 38 -8.493 5.309 -33.704 1.00 52.34 H +ATOM 569 N GLY A 39 -8.729 6.681 -31.084 1.00 43.43 N +ATOM 570 CA GLY A 39 -9.547 7.077 -29.953 1.00 1.30 C +ATOM 571 C GLY A 39 -8.855 6.838 -28.625 1.00 74.05 C +ATOM 572 O GLY A 39 -7.906 6.059 -28.545 1.00 71.02 O +ATOM 573 H GLY A 39 -8.084 7.314 -31.466 1.00 33.14 H +ATOM 574 HA2 GLY A 39 -9.780 8.128 -30.041 1.00 72.24 H +ATOM 575 HA3 GLY A 39 -10.467 6.512 -29.973 1.00 61.43 H +ATOM 576 N GLN A 40 -9.331 7.511 -27.582 1.00 71.45 N +ATOM 577 CA GLN A 40 -8.750 7.368 -26.253 1.00 1.32 C +ATOM 578 C GLN A 40 -8.982 5.964 -25.705 1.00 3.02 C +ATOM 579 O GLN A 40 -8.089 5.366 -25.103 1.00 20.14 O +ATOM 580 CB GLN A 40 -9.345 8.405 -25.299 1.00 54.52 C +ATOM 581 CG GLN A 40 -8.634 9.748 -25.340 1.00 13.43 C +ATOM 582 CD GLN A 40 -9.189 10.671 -26.407 1.00 71.43 C +ATOM 583 OE1 GLN A 40 -8.918 10.498 -27.596 1.00 25.52 O +ATOM 584 NE2 GLN A 40 -9.972 11.658 -25.989 1.00 2.15 N +ATOM 585 H GLN A 40 -10.090 8.117 -27.710 1.00 62.42 H +ATOM 586 HA GLN A 40 -7.687 7.538 -26.336 1.00 31.31 H +ATOM 587 HB2 GLN A 40 -10.382 8.563 -25.559 1.00 24.21 H +ATOM 588 HB3 GLN A 40 -9.289 8.024 -24.290 1.00 73.55 H +ATOM 589 HG2 GLN A 40 -8.744 10.229 -24.379 1.00 32.12 H +ATOM 590 HG3 GLN A 40 -7.586 9.580 -25.539 1.00 12.01 H +ATOM 591 HE21 GLN A 40 -10.144 11.736 -25.026 1.00 64.52 H +ATOM 592 HE22 GLN A 40 -10.343 12.270 -26.657 1.00 34.51 H +ATOM 593 N LEU A 41 -10.185 5.443 -25.917 1.00 12.04 N +ATOM 594 CA LEU A 41 -10.535 4.108 -25.444 1.00 11.15 C +ATOM 595 C LEU A 41 -9.682 3.046 -26.129 1.00 44.24 C +ATOM 596 O LEU A 41 -9.465 1.962 -25.586 1.00 42.54 O +ATOM 597 CB LEU A 41 -12.018 3.828 -25.696 1.00 4.50 C +ATOM 598 CG LEU A 41 -12.978 4.979 -25.395 1.00 15.22 C +ATOM 599 CD1 LEU A 41 -14.421 4.530 -25.571 1.00 2.23 C +ATOM 600 CD2 LEU A 41 -12.751 5.509 -23.987 1.00 0.34 C +ATOM 601 H LEU A 41 -10.855 5.967 -26.403 1.00 1.34 H +ATOM 602 HA LEU A 41 -10.346 4.073 -24.381 1.00 13.31 H +ATOM 603 HB2 LEU A 41 -12.132 3.566 -26.736 1.00 50.25 H +ATOM 604 HB3 LEU A 41 -12.304 2.987 -25.081 1.00 0.22 H +ATOM 605 HG LEU A 41 -12.793 5.786 -26.091 1.00 34.12 H +ATOM 606 HD11 LEU A 41 -14.689 3.858 -24.770 1.00 2.13 H +ATOM 607 HD12 LEU A 41 -14.527 4.022 -26.518 1.00 25.12 H +ATOM 608 HD13 LEU A 41 -15.071 5.393 -25.551 1.00 31.40 H +ATOM 609 HD21 LEU A 41 -12.869 4.705 -23.276 1.00 14.12 H +ATOM 610 HD22 LEU A 41 -13.470 6.287 -23.775 1.00 32.43 H +ATOM 611 HD23 LEU A 41 -11.752 5.913 -23.911 1.00 43.43 H +ATOM 612 N CYS A 42 -9.197 3.365 -27.325 1.00 55.11 N +ATOM 613 CA CYS A 42 -8.366 2.440 -28.086 1.00 2.25 C +ATOM 614 C CYS A 42 -9.096 1.122 -28.324 1.00 34.11 C +ATOM 615 O CYS A 42 -8.771 0.101 -27.717 1.00 14.54 O +ATOM 616 CB CYS A 42 -7.050 2.181 -27.349 1.00 32.11 C +ATOM 617 SG CYS A 42 -6.123 3.692 -26.929 1.00 63.42 S +ATOM 618 H CYS A 42 -9.405 4.245 -27.706 1.00 60.12 H +ATOM 619 HA CYS A 42 -8.150 2.896 -29.040 1.00 31.40 H +ATOM 620 HB2 CYS A 42 -7.260 1.658 -26.427 1.00 2.42 H +ATOM 621 HB3 CYS A 42 -6.415 1.566 -27.969 1.00 23.25 H +ATOM 622 N ASP A 43 -10.084 1.152 -29.212 1.00 31.42 N +ATOM 623 CA ASP A 43 -10.860 -0.041 -29.532 1.00 53.42 C +ATOM 624 C ASP A 43 -10.666 -0.440 -30.992 1.00 2.24 C +ATOM 625 O ASP A 43 -9.932 0.214 -31.733 1.00 53.42 O +ATOM 626 CB ASP A 43 -12.344 0.200 -29.250 1.00 32.23 C +ATOM 627 CG ASP A 43 -13.019 1.004 -30.344 1.00 21.23 C +ATOM 628 OD1 ASP A 43 -12.350 1.874 -30.940 1.00 64.51 O +ATOM 629 OD2 ASP A 43 -14.216 0.763 -30.604 1.00 60.42 O +ATOM 630 H ASP A 43 -10.296 1.996 -29.663 1.00 63.33 H +ATOM 631 HA ASP A 43 -10.509 -0.844 -28.903 1.00 32.14 H +ATOM 632 HB2 ASP A 43 -12.847 -0.753 -29.167 1.00 12.34 H +ATOM 633 HB3 ASP A 43 -12.444 0.738 -28.318 1.00 71.44 H +ATOM 634 N LYS A 44 -11.327 -1.518 -31.398 1.00 22.52 N +ATOM 635 CA LYS A 44 -11.228 -2.006 -32.768 1.00 63.23 C +ATOM 636 C LYS A 44 -12.202 -1.268 -33.680 1.00 52.23 C +ATOM 637 O LYS A 44 -12.823 -0.284 -33.276 1.00 24.35 O +ATOM 638 CB LYS A 44 -11.506 -3.510 -32.818 1.00 33.24 C +ATOM 639 CG LYS A 44 -12.907 -3.885 -32.364 1.00 42.52 C +ATOM 640 CD LYS A 44 -12.874 -4.853 -31.194 1.00 62.52 C +ATOM 641 CE LYS A 44 -13.022 -6.294 -31.659 1.00 60.11 C +ATOM 642 NZ LYS A 44 -11.745 -7.050 -31.539 1.00 5.10 N +ATOM 643 H LYS A 44 -11.896 -1.998 -30.760 1.00 34.23 H +ATOM 644 HA LYS A 44 -10.221 -1.824 -33.114 1.00 14.45 H +ATOM 645 HB2 LYS A 44 -11.375 -3.855 -33.832 1.00 65.54 H +ATOM 646 HB3 LYS A 44 -10.797 -4.017 -32.179 1.00 44.42 H +ATOM 647 HG2 LYS A 44 -13.429 -2.989 -32.061 1.00 61.13 H +ATOM 648 HG3 LYS A 44 -13.430 -4.347 -33.189 1.00 34.43 H +ATOM 649 HD2 LYS A 44 -11.931 -4.749 -30.678 1.00 32.12 H +ATOM 650 HD3 LYS A 44 -13.684 -4.617 -30.519 1.00 52.12 H +ATOM 651 HE2 LYS A 44 -13.775 -6.778 -31.056 1.00 5.24 H +ATOM 652 HE3 LYS A 44 -13.335 -6.294 -32.693 1.00 22.31 H +ATOM 653 HZ1 LYS A 44 -11.656 -7.453 -30.584 1.00 42.44 H +ATOM 654 HZ2 LYS A 44 -10.938 -6.417 -31.713 1.00 64.13 H +ATOM 655 HZ3 LYS A 44 -11.720 -7.823 -32.234 1.00 32.23 H Added: SwiftApps/modFTdock/input/indata/2kqb-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2kqb-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2kqb-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,791 @@ +ATOM 1 N GLY A 363 -17.132 -7.275 -5.552 1.00 0.00 N +ATOM 2 CA GLY A 363 -17.138 -8.762 -5.654 1.00 0.00 C +ATOM 3 C GLY A 363 -15.863 -9.233 -6.369 1.00 0.00 C +ATOM 4 O GLY A 363 -15.249 -8.470 -7.088 1.00 0.00 O +ATOM 5 H1 GLY A 363 -17.906 -6.966 -4.930 1.00 0.00 H +ATOM 6 H2 GLY A 363 -17.261 -6.862 -6.499 1.00 0.00 H +ATOM 7 H3 GLY A 363 -16.225 -6.958 -5.156 1.00 0.00 H +ATOM 8 HA2 GLY A 363 -17.177 -9.190 -4.663 1.00 0.00 H +ATOM 9 HA3 GLY A 363 -18.001 -9.080 -6.219 1.00 0.00 H +ATOM 10 N PRO A 364 -15.496 -10.479 -6.152 1.00 0.00 N +ATOM 11 CA PRO A 364 -14.277 -11.025 -6.800 1.00 0.00 C +ATOM 12 C PRO A 364 -14.522 -11.253 -8.300 1.00 0.00 C +ATOM 13 O PRO A 364 -15.539 -10.850 -8.831 1.00 0.00 O +ATOM 14 CB PRO A 364 -14.047 -12.351 -6.079 1.00 0.00 C +ATOM 15 CG PRO A 364 -15.392 -12.752 -5.565 1.00 0.00 C +ATOM 16 CD PRO A 364 -16.162 -11.484 -5.305 1.00 0.00 C +ATOM 17 HA PRO A 364 -13.436 -10.368 -6.645 1.00 0.00 H +ATOM 18 HB2 PRO A 364 -13.669 -13.092 -6.770 1.00 0.00 H +ATOM 19 HB3 PRO A 364 -13.362 -12.218 -5.256 1.00 0.00 H +ATOM 20 HG2 PRO A 364 -15.903 -13.353 -6.304 1.00 0.00 H +ATOM 21 HG3 PRO A 364 -15.285 -13.307 -4.646 1.00 0.00 H +ATOM 22 HD2 PRO A 364 -17.197 -11.605 -5.596 1.00 0.00 H +ATOM 23 HD3 PRO A 364 -16.089 -11.201 -4.266 1.00 0.00 H +ATOM 24 N LEU A 365 -13.599 -11.897 -8.993 1.00 0.00 N +ATOM 25 CA LEU A 365 -13.784 -12.149 -10.461 1.00 0.00 C +ATOM 26 C LEU A 365 -14.098 -10.838 -11.205 1.00 0.00 C +ATOM 27 O LEU A 365 -15.238 -10.416 -11.266 1.00 0.00 O +ATOM 28 CB LEU A 365 -14.964 -13.120 -10.563 1.00 0.00 C +ATOM 29 CG LEU A 365 -14.726 -14.093 -11.719 1.00 0.00 C +ATOM 30 CD1 LEU A 365 -15.737 -15.239 -11.638 1.00 0.00 C +ATOM 31 CD2 LEU A 365 -14.898 -13.356 -13.049 1.00 0.00 C +ATOM 32 H LEU A 365 -12.782 -12.216 -8.551 1.00 0.00 H +ATOM 33 HA LEU A 365 -12.899 -12.607 -10.874 1.00 0.00 H +ATOM 34 HB2 LEU A 365 -15.057 -13.672 -9.639 1.00 0.00 H +ATOM 35 HB3 LEU A 365 -15.873 -12.565 -10.744 1.00 0.00 H +ATOM 36 HG LEU A 365 -13.724 -14.492 -11.652 1.00 0.00 H +ATOM 37 HD11 LEU A 365 -16.727 -14.861 -11.847 1.00 0.00 H +ATOM 38 HD12 LEU A 365 -15.716 -15.668 -10.647 1.00 0.00 H +ATOM 39 HD13 LEU A 365 -15.480 -15.996 -12.364 1.00 0.00 H +ATOM 40 HD21 LEU A 365 -14.655 -14.022 -13.863 1.00 0.00 H +ATOM 41 HD22 LEU A 365 -14.238 -12.501 -13.074 1.00 0.00 H +ATOM 42 HD23 LEU A 365 -15.921 -13.024 -13.147 1.00 0.00 H +ATOM 43 N GLY A 366 -13.099 -10.190 -11.771 1.00 0.00 N +ATOM 44 CA GLY A 366 -13.353 -8.914 -12.504 1.00 0.00 C +ATOM 45 C GLY A 366 -13.300 -7.736 -11.520 1.00 0.00 C +ATOM 46 O GLY A 366 -14.107 -6.828 -11.597 1.00 0.00 O +ATOM 47 H GLY A 366 -12.182 -10.541 -11.714 1.00 0.00 H +ATOM 48 HA2 GLY A 366 -12.598 -8.782 -13.267 1.00 0.00 H +ATOM 49 HA3 GLY A 366 -14.328 -8.951 -12.964 1.00 0.00 H +ATOM 50 N SER A 367 -12.361 -7.738 -10.595 1.00 0.00 N +ATOM 51 CA SER A 367 -12.272 -6.612 -9.616 1.00 0.00 C +ATOM 52 C SER A 367 -10.805 -6.340 -9.244 1.00 0.00 C +ATOM 53 O SER A 367 -10.187 -7.123 -8.546 1.00 0.00 O +ATOM 54 CB SER A 367 -13.055 -7.088 -8.393 1.00 0.00 C +ATOM 55 OG SER A 367 -14.431 -6.779 -8.567 1.00 0.00 O +ATOM 56 H SER A 367 -11.715 -8.478 -10.543 1.00 0.00 H +ATOM 57 HA SER A 367 -12.729 -5.723 -10.022 1.00 0.00 H +ATOM 58 HB2 SER A 367 -12.942 -8.154 -8.284 1.00 0.00 H +ATOM 59 HB3 SER A 367 -12.673 -6.596 -7.509 1.00 0.00 H +ATOM 60 HG SER A 367 -14.542 -5.835 -8.434 1.00 0.00 H +ATOM 61 N GLY A 368 -10.241 -5.240 -9.700 1.00 0.00 N +ATOM 62 CA GLY A 368 -8.818 -4.934 -9.365 1.00 0.00 C +ATOM 63 C GLY A 368 -8.108 -4.370 -10.604 1.00 0.00 C +ATOM 64 O GLY A 368 -7.457 -5.097 -11.331 1.00 0.00 O +ATOM 65 H GLY A 368 -10.750 -4.615 -10.263 1.00 0.00 H +ATOM 66 HA2 GLY A 368 -8.786 -4.206 -8.566 1.00 0.00 H +ATOM 67 HA3 GLY A 368 -8.320 -5.838 -9.050 1.00 0.00 H +ATOM 68 N SER A 369 -8.224 -3.081 -10.854 1.00 0.00 N +ATOM 69 CA SER A 369 -7.550 -2.486 -12.047 1.00 0.00 C +ATOM 70 C SER A 369 -7.003 -1.091 -11.706 1.00 0.00 C +ATOM 71 O SER A 369 -7.214 -0.145 -12.441 1.00 0.00 O +ATOM 72 CB SER A 369 -8.645 -2.387 -13.110 1.00 0.00 C +ATOM 73 OG SER A 369 -9.747 -1.662 -12.582 1.00 0.00 O +ATOM 74 H SER A 369 -8.752 -2.503 -10.259 1.00 0.00 H +ATOM 75 HA SER A 369 -6.757 -3.130 -12.393 1.00 0.00 H +ATOM 76 HB2 SER A 369 -8.263 -1.872 -13.975 1.00 0.00 H +ATOM 77 HB3 SER A 369 -8.959 -3.383 -13.395 1.00 0.00 H +ATOM 78 HG SER A 369 -10.290 -2.272 -12.077 1.00 0.00 H +ATOM 79 N GLU A 370 -6.301 -0.952 -10.598 1.00 0.00 N +ATOM 80 CA GLU A 370 -5.750 0.385 -10.227 1.00 0.00 C +ATOM 81 C GLU A 370 -4.240 0.280 -9.960 1.00 0.00 C +ATOM 82 O GLU A 370 -3.796 0.397 -8.832 1.00 0.00 O +ATOM 83 CB GLU A 370 -6.498 0.781 -8.953 1.00 0.00 C +ATOM 84 CG GLU A 370 -7.944 1.142 -9.301 1.00 0.00 C +ATOM 85 CD GLU A 370 -8.836 -0.087 -9.115 1.00 0.00 C +ATOM 86 OE1 GLU A 370 -9.002 -0.508 -7.983 1.00 0.00 O +ATOM 87 OE2 GLU A 370 -9.337 -0.587 -10.109 1.00 0.00 O +ATOM 88 H GLU A 370 -6.135 -1.723 -10.011 1.00 0.00 H +ATOM 89 HA GLU A 370 -5.946 1.103 -11.008 1.00 0.00 H +ATOM 90 HB2 GLU A 370 -6.489 -0.047 -8.259 1.00 0.00 H +ATOM 91 HB3 GLU A 370 -6.015 1.634 -8.502 1.00 0.00 H +ATOM 92 HG2 GLU A 370 -8.282 1.935 -8.650 1.00 0.00 H +ATOM 93 HG3 GLU A 370 -7.997 1.471 -10.327 1.00 0.00 H +ATOM 94 N GLY A 371 -3.444 0.058 -10.987 1.00 0.00 N +ATOM 95 CA GLY A 371 -1.970 -0.052 -10.781 1.00 0.00 C +ATOM 96 C GLY A 371 -1.235 0.674 -11.917 1.00 0.00 C +ATOM 97 O GLY A 371 -0.234 0.193 -12.414 1.00 0.00 O +ATOM 98 H GLY A 371 -3.814 -0.035 -11.893 1.00 0.00 H +ATOM 99 HA2 GLY A 371 -1.705 0.398 -9.834 1.00 0.00 H +ATOM 100 HA3 GLY A 371 -1.683 -1.092 -10.778 1.00 0.00 H +ATOM 101 N ASN A 372 -1.719 1.828 -12.334 1.00 0.00 N +ATOM 102 CA ASN A 372 -1.035 2.570 -13.437 1.00 0.00 C +ATOM 103 C ASN A 372 -1.219 4.087 -13.258 1.00 0.00 C +ATOM 104 O ASN A 372 -0.268 4.801 -13.002 1.00 0.00 O +ATOM 105 CB ASN A 372 -1.715 2.090 -14.720 1.00 0.00 C +ATOM 106 CG ASN A 372 -0.939 0.899 -15.296 1.00 0.00 C +ATOM 107 OD1 ASN A 372 0.215 1.033 -15.653 1.00 0.00 O +ATOM 108 ND2 ASN A 372 -1.520 -0.271 -15.404 1.00 0.00 N +ATOM 109 H ASN A 372 -2.528 2.206 -11.923 1.00 0.00 H +ATOM 110 HA ASN A 372 0.014 2.320 -13.462 1.00 0.00 H +ATOM 111 HB2 ASN A 372 -2.728 1.788 -14.498 1.00 0.00 H +ATOM 112 HB3 ASN A 372 -1.728 2.892 -15.443 1.00 0.00 H +ATOM 113 HD21 ASN A 372 -2.452 -0.391 -15.119 1.00 0.00 H +ATOM 114 HD22 ASN A 372 -1.022 -1.030 -15.772 1.00 0.00 H +ATOM 115 N LYS A 373 -2.432 4.588 -13.388 1.00 0.00 N +ATOM 116 CA LYS A 373 -2.656 6.055 -13.221 1.00 0.00 C +ATOM 117 C LYS A 373 -3.924 6.308 -12.392 1.00 0.00 C +ATOM 118 O LYS A 373 -4.881 6.884 -12.876 1.00 0.00 O +ATOM 119 CB LYS A 373 -2.813 6.597 -14.643 1.00 0.00 C +ATOM 120 CG LYS A 373 -1.444 7.026 -15.183 1.00 0.00 C +ATOM 121 CD LYS A 373 -0.879 5.929 -16.089 1.00 0.00 C +ATOM 122 CE LYS A 373 0.430 6.409 -16.719 1.00 0.00 C +ATOM 123 NZ LYS A 373 0.014 7.215 -17.901 1.00 0.00 N +ATOM 124 H LYS A 373 -3.194 4.002 -13.594 1.00 0.00 H +ATOM 125 HA LYS A 373 -1.804 6.513 -12.745 1.00 0.00 H +ATOM 126 HB2 LYS A 373 -3.228 5.826 -15.277 1.00 0.00 H +ATOM 127 HB3 LYS A 373 -3.476 7.449 -14.632 1.00 0.00 H +ATOM 128 HG2 LYS A 373 -1.552 7.939 -15.749 1.00 0.00 H +ATOM 129 HG3 LYS A 373 -0.765 7.193 -14.359 1.00 0.00 H +ATOM 130 HD2 LYS A 373 -0.693 5.039 -15.505 1.00 0.00 H +ATOM 131 HD3 LYS A 373 -1.590 5.706 -16.870 1.00 0.00 H +ATOM 132 HE2 LYS A 373 0.981 7.022 -16.018 1.00 0.00 H +ATOM 133 HE3 LYS A 373 1.027 5.568 -17.036 1.00 0.00 H +ATOM 134 HZ1 LYS A 373 0.854 7.484 -18.450 1.00 0.00 H +ATOM 135 HZ2 LYS A 373 -0.480 8.072 -17.578 1.00 0.00 H +ATOM 136 HZ3 LYS A 373 -0.622 6.650 -18.498 1.00 0.00 H +ATOM 137 N VAL A 374 -3.937 5.888 -11.144 1.00 0.00 N +ATOM 138 CA VAL A 374 -5.139 6.111 -10.287 1.00 0.00 C +ATOM 139 C VAL A 374 -4.703 6.383 -8.837 1.00 0.00 C +ATOM 140 O VAL A 374 -3.599 6.050 -8.448 1.00 0.00 O +ATOM 141 CB VAL A 374 -5.945 4.810 -10.381 1.00 0.00 C +ATOM 142 CG1 VAL A 374 -7.208 4.918 -9.521 1.00 0.00 C +ATOM 143 CG2 VAL A 374 -6.348 4.561 -11.838 1.00 0.00 C +ATOM 144 H VAL A 374 -3.156 5.428 -10.766 1.00 0.00 H +ATOM 145 HA VAL A 374 -5.720 6.935 -10.666 1.00 0.00 H +ATOM 146 HB VAL A 374 -5.341 3.987 -10.029 1.00 0.00 H +ATOM 147 HG11 VAL A 374 -6.934 4.914 -8.477 1.00 0.00 H +ATOM 148 HG12 VAL A 374 -7.856 4.077 -9.726 1.00 0.00 H +ATOM 149 HG13 VAL A 374 -7.726 5.836 -9.755 1.00 0.00 H +ATOM 150 HG21 VAL A 374 -6.695 5.485 -12.278 1.00 0.00 H +ATOM 151 HG22 VAL A 374 -7.138 3.827 -11.873 1.00 0.00 H +ATOM 152 HG23 VAL A 374 -5.494 4.198 -12.391 1.00 0.00 H +ATOM 153 N LYS A 375 -5.560 6.976 -8.032 1.00 0.00 N +ATOM 154 CA LYS A 375 -5.177 7.253 -6.603 1.00 0.00 C +ATOM 155 C LYS A 375 -5.557 6.050 -5.724 1.00 0.00 C +ATOM 156 O LYS A 375 -6.665 5.963 -5.226 1.00 0.00 O +ATOM 157 CB LYS A 375 -5.963 8.503 -6.178 1.00 0.00 C +ATOM 158 CG LYS A 375 -5.199 9.758 -6.609 1.00 0.00 C +ATOM 159 CD LYS A 375 -6.190 10.894 -6.891 1.00 0.00 C +ATOM 160 CE LYS A 375 -5.744 11.675 -8.131 1.00 0.00 C +ATOM 161 NZ LYS A 375 -6.647 12.859 -8.187 1.00 0.00 N +ATOM 162 H LYS A 375 -6.451 7.228 -8.366 1.00 0.00 H +ATOM 163 HA LYS A 375 -4.112 7.444 -6.532 1.00 0.00 H +ATOM 164 HB2 LYS A 375 -6.936 8.494 -6.649 1.00 0.00 H +ATOM 165 HB3 LYS A 375 -6.083 8.508 -5.105 1.00 0.00 H +ATOM 166 HG2 LYS A 375 -4.524 10.057 -5.818 1.00 0.00 H +ATOM 167 HG3 LYS A 375 -4.633 9.545 -7.503 1.00 0.00 H +ATOM 168 HD2 LYS A 375 -7.175 10.482 -7.061 1.00 0.00 H +ATOM 169 HD3 LYS A 375 -6.223 11.561 -6.042 1.00 0.00 H +ATOM 170 HE2 LYS A 375 -4.714 11.988 -8.025 1.00 0.00 H +ATOM 171 HE3 LYS A 375 -5.867 11.074 -9.018 1.00 0.00 H +ATOM 172 HZ1 LYS A 375 -6.482 13.462 -7.356 1.00 0.00 H +ATOM 173 HZ2 LYS A 375 -7.637 12.539 -8.193 1.00 0.00 H +ATOM 174 HZ3 LYS A 375 -6.452 13.403 -9.051 1.00 0.00 H +ATOM 175 N ARG A 376 -4.643 5.119 -5.535 1.00 0.00 N +ATOM 176 CA ARG A 376 -4.965 3.921 -4.691 1.00 0.00 C +ATOM 177 C ARG A 376 -5.334 4.355 -3.272 1.00 0.00 C +ATOM 178 O ARG A 376 -4.904 5.393 -2.802 1.00 0.00 O +ATOM 179 CB ARG A 376 -3.715 3.036 -4.655 1.00 0.00 C +ATOM 180 CG ARG A 376 -3.806 1.987 -5.765 1.00 0.00 C +ATOM 181 CD ARG A 376 -2.609 1.032 -5.681 1.00 0.00 C +ATOM 182 NE ARG A 376 -1.394 1.907 -5.728 1.00 0.00 N +ATOM 183 CZ ARG A 376 -1.051 2.554 -6.832 1.00 0.00 C +ATOM 184 NH1 ARG A 376 -1.717 2.399 -7.953 1.00 0.00 N +ATOM 185 NH2 ARG A 376 -0.015 3.351 -6.817 1.00 0.00 N +ATOM 186 H ARG A 376 -3.764 5.226 -5.957 1.00 0.00 H +ATOM 187 HA ARG A 376 -5.781 3.378 -5.126 1.00 0.00 H +ATOM 188 HB2 ARG A 376 -2.836 3.645 -4.803 1.00 0.00 H +ATOM 189 HB3 ARG A 376 -3.653 2.538 -3.699 1.00 0.00 H +ATOM 190 HG2 ARG A 376 -4.722 1.424 -5.650 1.00 0.00 H +ATOM 191 HG3 ARG A 376 -3.806 2.480 -6.723 1.00 0.00 H +ATOM 192 HD2 ARG A 376 -2.643 0.473 -4.751 1.00 0.00 H +ATOM 193 HD3 ARG A 376 -2.610 0.359 -6.521 1.00 0.00 H +ATOM 194 HE ARG A 376 -0.853 2.016 -4.915 1.00 0.00 H +ATOM 195 HH11 ARG A 376 -2.499 1.782 -7.998 1.00 0.00 H +ATOM 196 HH12 ARG A 376 -1.438 2.907 -8.769 1.00 0.00 H +ATOM 197 HH21 ARG A 376 0.514 3.469 -5.977 1.00 0.00 H +ATOM 198 HH22 ARG A 376 0.249 3.844 -7.647 1.00 0.00 H +ATOM 199 N THR A 377 -6.117 3.560 -2.580 1.00 0.00 N +ATOM 200 CA THR A 377 -6.496 3.928 -1.183 1.00 0.00 C +ATOM 201 C THR A 377 -5.345 3.537 -0.247 1.00 0.00 C +ATOM 202 O THR A 377 -4.765 2.481 -0.404 1.00 0.00 O +ATOM 203 CB THR A 377 -7.795 3.145 -0.880 1.00 0.00 C +ATOM 204 OG1 THR A 377 -8.425 3.693 0.270 1.00 0.00 O +ATOM 205 CG2 THR A 377 -7.494 1.658 -0.638 1.00 0.00 C +ATOM 206 H THR A 377 -6.438 2.715 -2.977 1.00 0.00 H +ATOM 207 HA THR A 377 -6.681 4.990 -1.118 1.00 0.00 H +ATOM 208 HB THR A 377 -8.458 3.234 -1.730 1.00 0.00 H +ATOM 209 HG1 THR A 377 -9.320 3.344 0.314 1.00 0.00 H +ATOM 210 HG21 THR A 377 -8.412 1.136 -0.414 1.00 0.00 H +ATOM 211 HG22 THR A 377 -6.813 1.565 0.195 1.00 0.00 H +ATOM 212 HG23 THR A 377 -7.042 1.234 -1.522 1.00 0.00 H +ATOM 213 N SER A 378 -5.002 4.365 0.718 1.00 0.00 N +ATOM 214 CA SER A 378 -3.864 3.998 1.646 1.00 0.00 C +ATOM 215 C SER A 378 -4.116 2.601 2.237 1.00 0.00 C +ATOM 216 O SER A 378 -5.252 2.185 2.366 1.00 0.00 O +ATOM 217 CB SER A 378 -3.840 5.056 2.761 1.00 0.00 C +ATOM 218 OG SER A 378 -5.039 4.966 3.521 1.00 0.00 O +ATOM 219 H SER A 378 -5.490 5.209 0.824 1.00 0.00 H +ATOM 220 HA SER A 378 -2.925 4.006 1.105 1.00 0.00 H +ATOM 221 HB2 SER A 378 -2.995 4.883 3.407 1.00 0.00 H +ATOM 222 HB3 SER A 378 -3.755 6.040 2.319 1.00 0.00 H +ATOM 223 HG SER A 378 -4.912 4.299 4.201 1.00 0.00 H +ATOM 224 N CYS A 379 -3.083 1.870 2.585 1.00 0.00 N +ATOM 225 CA CYS A 379 -3.305 0.491 3.158 1.00 0.00 C +ATOM 226 C CYS A 379 -3.785 0.574 4.621 1.00 0.00 C +ATOM 227 O CYS A 379 -3.535 1.550 5.304 1.00 0.00 O +ATOM 228 CB CYS A 379 -1.939 -0.212 3.093 1.00 0.00 C +ATOM 229 SG CYS A 379 -2.167 -2.003 3.141 1.00 0.00 S +ATOM 230 H CYS A 379 -2.159 2.210 2.479 1.00 0.00 H +ATOM 231 HA CYS A 379 -4.021 -0.052 2.561 1.00 0.00 H +ATOM 232 HB2 CYS A 379 -1.439 0.061 2.175 1.00 0.00 H +ATOM 233 HB3 CYS A 379 -1.335 0.096 3.935 1.00 0.00 H +ATOM 234 N MET A 380 -4.454 -0.455 5.115 1.00 0.00 N +ATOM 235 CA MET A 380 -4.923 -0.430 6.556 1.00 0.00 C +ATOM 236 C MET A 380 -3.725 -0.237 7.512 1.00 0.00 C +ATOM 237 O MET A 380 -3.883 0.285 8.600 1.00 0.00 O +ATOM 238 CB MET A 380 -5.587 -1.790 6.835 1.00 0.00 C +ATOM 239 CG MET A 380 -6.790 -1.975 5.909 1.00 0.00 C +ATOM 240 SD MET A 380 -7.957 -3.144 6.654 1.00 0.00 S +ATOM 241 CE MET A 380 -7.064 -4.658 6.224 1.00 0.00 C +ATOM 242 H MET A 380 -4.629 -1.245 4.549 1.00 0.00 H +ATOM 243 HA MET A 380 -5.641 0.364 6.698 1.00 0.00 H +ATOM 244 HB2 MET A 380 -4.873 -2.581 6.660 1.00 0.00 H +ATOM 245 HB3 MET A 380 -5.917 -1.824 7.863 1.00 0.00 H +ATOM 246 HG2 MET A 380 -7.279 -1.024 5.761 1.00 0.00 H +ATOM 247 HG3 MET A 380 -6.453 -2.359 4.958 1.00 0.00 H +ATOM 248 HE1 MET A 380 -6.280 -4.830 6.948 1.00 0.00 H +ATOM 249 HE2 MET A 380 -6.630 -4.555 5.244 1.00 0.00 H +ATOM 250 HE3 MET A 380 -7.752 -5.494 6.226 1.00 0.00 H +ATOM 251 N TYR A 381 -2.529 -0.635 7.116 1.00 0.00 N +ATOM 252 CA TYR A 381 -1.346 -0.440 8.017 1.00 0.00 C +ATOM 253 C TYR A 381 -0.682 0.930 7.766 1.00 0.00 C +ATOM 254 O TYR A 381 0.042 1.424 8.612 1.00 0.00 O +ATOM 255 CB TYR A 381 -0.384 -1.589 7.708 1.00 0.00 C +ATOM 256 CG TYR A 381 -0.859 -2.820 8.438 1.00 0.00 C +ATOM 257 CD1 TYR A 381 -0.513 -3.012 9.802 1.00 0.00 C +ATOM 258 CD2 TYR A 381 -1.661 -3.780 7.765 1.00 0.00 C +ATOM 259 CE1 TYR A 381 -0.968 -4.166 10.495 1.00 0.00 C +ATOM 260 CE2 TYR A 381 -2.118 -4.932 8.458 1.00 0.00 C +ATOM 261 CZ TYR A 381 -1.771 -5.127 9.823 1.00 0.00 C +ATOM 262 OH TYR A 381 -2.215 -6.248 10.495 1.00 0.00 O +ATOM 263 H TYR A 381 -2.419 -1.036 6.224 1.00 0.00 H +ATOM 264 HA TYR A 381 -1.661 -0.506 9.047 1.00 0.00 H +ATOM 265 HB2 TYR A 381 -0.373 -1.777 6.644 1.00 0.00 H +ATOM 266 HB3 TYR A 381 0.606 -1.330 8.044 1.00 0.00 H +ATOM 267 HD1 TYR A 381 0.096 -2.281 10.312 1.00 0.00 H +ATOM 268 HD2 TYR A 381 -1.924 -3.632 6.728 1.00 0.00 H +ATOM 269 HE1 TYR A 381 -0.704 -4.311 11.532 1.00 0.00 H +ATOM 270 HE2 TYR A 381 -2.730 -5.661 7.946 1.00 0.00 H +ATOM 271 HH TYR A 381 -3.160 -6.156 10.637 1.00 0.00 H +ATOM 272 N GLY A 382 -0.920 1.563 6.627 1.00 0.00 N +ATOM 273 CA GLY A 382 -0.302 2.897 6.369 1.00 0.00 C +ATOM 274 C GLY A 382 1.224 2.762 6.292 1.00 0.00 C +ATOM 275 O GLY A 382 1.774 2.519 5.235 1.00 0.00 O +ATOM 276 H GLY A 382 -1.507 1.178 5.944 1.00 0.00 H +ATOM 277 HA2 GLY A 382 -0.677 3.291 5.436 1.00 0.00 H +ATOM 278 HA3 GLY A 382 -0.559 3.570 7.172 1.00 0.00 H +ATOM 279 N ALA A 383 1.911 2.916 7.402 1.00 0.00 N +ATOM 280 CA ALA A 383 3.402 2.795 7.380 1.00 0.00 C +ATOM 281 C ALA A 383 3.889 1.459 7.981 1.00 0.00 C +ATOM 282 O ALA A 383 5.080 1.201 7.988 1.00 0.00 O +ATOM 283 CB ALA A 383 3.915 3.974 8.214 1.00 0.00 C +ATOM 284 H ALA A 383 1.440 3.104 8.246 1.00 0.00 H +ATOM 285 HA ALA A 383 3.760 2.891 6.368 1.00 0.00 H +ATOM 286 HB1 ALA A 383 4.966 3.839 8.421 1.00 0.00 H +ATOM 287 HB2 ALA A 383 3.367 4.020 9.145 1.00 0.00 H +ATOM 288 HB3 ALA A 383 3.771 4.894 7.667 1.00 0.00 H +ATOM 289 N ASN A 384 3.014 0.610 8.494 1.00 0.00 N +ATOM 290 CA ASN A 384 3.499 -0.676 9.086 1.00 0.00 C +ATOM 291 C ASN A 384 3.026 -1.905 8.280 1.00 0.00 C +ATOM 292 O ASN A 384 3.004 -3.001 8.807 1.00 0.00 O +ATOM 293 CB ASN A 384 2.909 -0.702 10.498 1.00 0.00 C +ATOM 294 CG ASN A 384 3.817 0.092 11.441 1.00 0.00 C +ATOM 295 OD1 ASN A 384 4.640 -0.480 12.127 1.00 0.00 O +ATOM 296 ND2 ASN A 384 3.709 1.397 11.508 1.00 0.00 N +ATOM 297 H ASN A 384 2.055 0.810 8.509 1.00 0.00 H +ATOM 298 HA ASN A 384 4.576 -0.671 9.148 1.00 0.00 H +ATOM 299 HB2 ASN A 384 1.925 -0.255 10.484 1.00 0.00 H +ATOM 300 HB3 ASN A 384 2.838 -1.723 10.843 1.00 0.00 H +ATOM 301 HD21 ASN A 384 3.048 1.871 10.957 1.00 0.00 H +ATOM 302 HD22 ASN A 384 4.292 1.902 12.111 1.00 0.00 H +ATOM 303 N CYS A 385 2.635 -1.753 7.019 1.00 0.00 N +ATOM 304 CA CYS A 385 2.161 -2.958 6.227 1.00 0.00 C +ATOM 305 C CYS A 385 3.182 -4.111 6.335 1.00 0.00 C +ATOM 306 O CYS A 385 4.377 -3.889 6.301 1.00 0.00 O +ATOM 307 CB CYS A 385 2.018 -2.502 4.758 1.00 0.00 C +ATOM 308 SG CYS A 385 1.176 -3.784 3.787 1.00 0.00 S +ATOM 309 H CYS A 385 2.631 -0.865 6.598 1.00 0.00 H +ATOM 310 HA CYS A 385 1.202 -3.285 6.600 1.00 0.00 H +ATOM 311 HB2 CYS A 385 1.441 -1.591 4.722 1.00 0.00 H +ATOM 312 HB3 CYS A 385 2.999 -2.321 4.341 1.00 0.00 H +ATOM 313 N TYR A 386 2.715 -5.334 6.470 1.00 0.00 N +ATOM 314 CA TYR A 386 3.667 -6.488 6.587 1.00 0.00 C +ATOM 315 C TYR A 386 3.539 -7.465 5.394 1.00 0.00 C +ATOM 316 O TYR A 386 4.530 -8.009 4.940 1.00 0.00 O +ATOM 317 CB TYR A 386 3.320 -7.172 7.922 1.00 0.00 C +ATOM 318 CG TYR A 386 1.967 -7.843 7.846 1.00 0.00 C +ATOM 319 CD1 TYR A 386 1.858 -9.151 7.305 1.00 0.00 C +ATOM 320 CD2 TYR A 386 0.808 -7.171 8.321 1.00 0.00 C +ATOM 321 CE1 TYR A 386 0.592 -9.789 7.236 1.00 0.00 C +ATOM 322 CE2 TYR A 386 -0.460 -7.808 8.251 1.00 0.00 C +ATOM 323 CZ TYR A 386 -0.568 -9.118 7.709 1.00 0.00 C +ATOM 324 OH TYR A 386 -1.800 -9.738 7.643 1.00 0.00 O +ATOM 325 H TYR A 386 1.746 -5.478 6.489 1.00 0.00 H +ATOM 326 HA TYR A 386 4.678 -6.114 6.634 1.00 0.00 H +ATOM 327 HB2 TYR A 386 4.071 -7.915 8.145 1.00 0.00 H +ATOM 328 HB3 TYR A 386 3.308 -6.431 8.708 1.00 0.00 H +ATOM 329 HD1 TYR A 386 2.739 -9.660 6.944 1.00 0.00 H +ATOM 330 HD2 TYR A 386 0.891 -6.176 8.732 1.00 0.00 H +ATOM 331 HE1 TYR A 386 0.510 -10.785 6.825 1.00 0.00 H +ATOM 332 HE2 TYR A 386 -1.340 -7.299 8.610 1.00 0.00 H +ATOM 333 HH TYR A 386 -1.954 -10.182 8.480 1.00 0.00 H +ATOM 334 N ARG A 387 2.346 -7.693 4.875 1.00 0.00 N +ATOM 335 CA ARG A 387 2.211 -8.635 3.710 1.00 0.00 C +ATOM 336 C ARG A 387 2.701 -7.942 2.428 1.00 0.00 C +ATOM 337 O ARG A 387 2.778 -6.728 2.375 1.00 0.00 O +ATOM 338 CB ARG A 387 0.714 -9.010 3.605 1.00 0.00 C +ATOM 339 CG ARG A 387 -0.140 -7.776 3.263 1.00 0.00 C +ATOM 340 CD ARG A 387 -1.502 -8.230 2.710 1.00 0.00 C +ATOM 341 NE ARG A 387 -2.544 -7.363 3.373 1.00 0.00 N +ATOM 342 CZ ARG A 387 -3.801 -7.771 3.492 1.00 0.00 C +ATOM 343 NH1 ARG A 387 -4.197 -8.932 3.021 1.00 0.00 N +ATOM 344 NH2 ARG A 387 -4.677 -6.997 4.081 1.00 0.00 N +ATOM 345 H ARG A 387 1.556 -7.247 5.240 1.00 0.00 H +ATOM 346 HA ARG A 387 2.797 -9.524 3.890 1.00 0.00 H +ATOM 347 HB2 ARG A 387 0.589 -9.754 2.834 1.00 0.00 H +ATOM 348 HB3 ARG A 387 0.386 -9.418 4.550 1.00 0.00 H +ATOM 349 HG2 ARG A 387 -0.293 -7.185 4.154 1.00 0.00 H +ATOM 350 HG3 ARG A 387 0.363 -7.178 2.519 1.00 0.00 H +ATOM 351 HD2 ARG A 387 -1.530 -8.094 1.638 1.00 0.00 H +ATOM 352 HD3 ARG A 387 -1.673 -9.265 2.958 1.00 0.00 H +ATOM 353 HE ARG A 387 -2.294 -6.476 3.722 1.00 0.00 H +ATOM 354 HH11 ARG A 387 -3.555 -9.538 2.556 1.00 0.00 H +ATOM 355 HH12 ARG A 387 -5.151 -9.210 3.129 1.00 0.00 H +ATOM 356 HH21 ARG A 387 -4.396 -6.106 4.437 1.00 0.00 H +ATOM 357 HH22 ARG A 387 -5.626 -7.297 4.175 1.00 0.00 H +ATOM 358 N LYS A 388 3.033 -8.692 1.397 1.00 0.00 N +ATOM 359 CA LYS A 388 3.515 -8.047 0.137 1.00 0.00 C +ATOM 360 C LYS A 388 3.234 -8.939 -1.085 1.00 0.00 C +ATOM 361 O LYS A 388 3.914 -9.921 -1.316 1.00 0.00 O +ATOM 362 CB LYS A 388 5.022 -7.852 0.336 1.00 0.00 C +ATOM 363 CG LYS A 388 5.706 -9.204 0.591 1.00 0.00 C +ATOM 364 CD LYS A 388 6.512 -9.145 1.891 1.00 0.00 C +ATOM 365 CE LYS A 388 7.212 -10.487 2.118 1.00 0.00 C +ATOM 366 NZ LYS A 388 8.417 -10.448 1.243 1.00 0.00 N +ATOM 367 H LYS A 388 2.967 -9.672 1.451 1.00 0.00 H +ATOM 368 HA LYS A 388 3.040 -7.086 0.008 1.00 0.00 H +ATOM 369 HB2 LYS A 388 5.440 -7.401 -0.553 1.00 0.00 H +ATOM 370 HB3 LYS A 388 5.186 -7.199 1.180 1.00 0.00 H +ATOM 371 HG2 LYS A 388 4.960 -9.982 0.668 1.00 0.00 H +ATOM 372 HG3 LYS A 388 6.370 -9.427 -0.230 1.00 0.00 H +ATOM 373 HD2 LYS A 388 7.251 -8.359 1.821 1.00 0.00 H +ATOM 374 HD3 LYS A 388 5.848 -8.944 2.717 1.00 0.00 H +ATOM 375 HE2 LYS A 388 7.501 -10.587 3.155 1.00 0.00 H +ATOM 376 HE3 LYS A 388 6.569 -11.301 1.824 1.00 0.00 H +ATOM 377 HZ1 LYS A 388 8.857 -11.389 1.216 1.00 0.00 H +ATOM 378 HZ2 LYS A 388 9.098 -9.757 1.621 1.00 0.00 H +ATOM 379 HZ3 LYS A 388 8.139 -10.171 0.281 1.00 0.00 H +ATOM 380 N ASN A 389 2.236 -8.601 -1.875 1.00 0.00 N +ATOM 381 CA ASN A 389 1.920 -9.425 -3.079 1.00 0.00 C +ATOM 382 C ASN A 389 2.076 -8.574 -4.347 1.00 0.00 C +ATOM 383 O ASN A 389 2.144 -7.363 -4.265 1.00 0.00 O +ATOM 384 CB ASN A 389 0.458 -9.839 -2.901 1.00 0.00 C +ATOM 385 CG ASN A 389 0.384 -11.261 -2.334 1.00 0.00 C +ATOM 386 OD1 ASN A 389 1.023 -11.565 -1.346 1.00 0.00 O +ATOM 387 ND2 ASN A 389 -0.376 -12.157 -2.919 1.00 0.00 N +ATOM 388 H ASN A 389 1.692 -7.806 -1.683 1.00 0.00 H +ATOM 389 HA ASN A 389 2.553 -10.297 -3.122 1.00 0.00 H +ATOM 390 HB2 ASN A 389 -0.030 -9.155 -2.222 1.00 0.00 H +ATOM 391 HB3 ASN A 389 -0.041 -9.811 -3.859 1.00 0.00 H +ATOM 392 HD21 ASN A 389 -0.895 -11.923 -3.718 1.00 0.00 H +ATOM 393 HD22 ASN A 389 -0.429 -13.065 -2.553 1.00 0.00 H +ATOM 394 N PRO A 390 2.112 -9.222 -5.490 1.00 0.00 N +ATOM 395 CA PRO A 390 2.242 -8.475 -6.765 1.00 0.00 C +ATOM 396 C PRO A 390 0.926 -7.731 -7.090 1.00 0.00 C +ATOM 397 O PRO A 390 0.940 -6.735 -7.774 1.00 0.00 O +ATOM 398 CB PRO A 390 2.528 -9.563 -7.797 1.00 0.00 C +ATOM 399 CG PRO A 390 1.952 -10.812 -7.214 1.00 0.00 C +ATOM 400 CD PRO A 390 2.029 -10.676 -5.714 1.00 0.00 C +ATOM 401 HA PRO A 390 3.068 -7.784 -6.718 1.00 0.00 H +ATOM 402 HB2 PRO A 390 2.046 -9.325 -8.736 1.00 0.00 H +ATOM 403 HB3 PRO A 390 3.592 -9.678 -7.937 1.00 0.00 H +ATOM 404 HG2 PRO A 390 0.920 -10.919 -7.523 1.00 0.00 H +ATOM 405 HG3 PRO A 390 2.525 -11.668 -7.532 1.00 0.00 H +ATOM 406 HD2 PRO A 390 1.139 -11.083 -5.252 1.00 0.00 H +ATOM 407 HD3 PRO A 390 2.913 -11.163 -5.333 1.00 0.00 H +ATOM 408 N VAL A 391 -0.208 -8.208 -6.607 1.00 0.00 N +ATOM 409 CA VAL A 391 -1.518 -7.519 -6.881 1.00 0.00 C +ATOM 410 C VAL A 391 -1.949 -6.613 -5.697 1.00 0.00 C +ATOM 411 O VAL A 391 -2.760 -5.725 -5.873 1.00 0.00 O +ATOM 412 CB VAL A 391 -2.537 -8.645 -7.086 1.00 0.00 C +ATOM 413 CG1 VAL A 391 -3.912 -8.060 -7.414 1.00 0.00 C +ATOM 414 CG2 VAL A 391 -2.089 -9.550 -8.237 1.00 0.00 C +ATOM 415 H VAL A 391 -0.203 -9.013 -6.050 1.00 0.00 H +ATOM 416 HA VAL A 391 -1.443 -6.930 -7.784 1.00 0.00 H +ATOM 417 HB VAL A 391 -2.599 -9.221 -6.180 1.00 0.00 H +ATOM 418 HG11 VAL A 391 -3.803 -7.280 -8.149 1.00 0.00 H +ATOM 419 HG12 VAL A 391 -4.351 -7.651 -6.518 1.00 0.00 H +ATOM 420 HG13 VAL A 391 -4.550 -8.838 -7.805 1.00 0.00 H +ATOM 421 HG21 VAL A 391 -1.771 -8.942 -9.070 1.00 0.00 H +ATOM 422 HG22 VAL A 391 -2.913 -10.177 -8.543 1.00 0.00 H +ATOM 423 HG23 VAL A 391 -1.268 -10.171 -7.909 1.00 0.00 H +ATOM 424 N HIS A 392 -1.440 -6.834 -4.496 1.00 0.00 N +ATOM 425 CA HIS A 392 -1.861 -5.980 -3.321 1.00 0.00 C +ATOM 426 C HIS A 392 -1.385 -4.532 -3.525 1.00 0.00 C +ATOM 427 O HIS A 392 -2.100 -3.598 -3.212 1.00 0.00 O +ATOM 428 CB HIS A 392 -1.195 -6.628 -2.084 1.00 0.00 C +ATOM 429 CG HIS A 392 -1.331 -5.758 -0.867 1.00 0.00 C +ATOM 430 ND1 HIS A 392 -2.381 -5.891 0.024 1.00 0.00 N +ATOM 431 CD2 HIS A 392 -0.529 -4.768 -0.363 1.00 0.00 C +ATOM 432 CE1 HIS A 392 -2.184 -5.005 1.017 1.00 0.00 C +ATOM 433 NE2 HIS A 392 -1.067 -4.294 0.831 1.00 0.00 N +ATOM 434 H HIS A 392 -0.782 -7.545 -4.349 1.00 0.00 H +ATOM 435 HA HIS A 392 -2.933 -6.003 -3.215 1.00 0.00 H +ATOM 436 HB2 HIS A 392 -1.664 -7.580 -1.890 1.00 0.00 H +ATOM 437 HB3 HIS A 392 -0.146 -6.788 -2.292 1.00 0.00 H +ATOM 438 HD1 HIS A 392 -3.130 -6.519 -0.054 1.00 0.00 H +ATOM 439 HD2 HIS A 392 0.375 -4.405 -0.832 1.00 0.00 H +ATOM 440 HE1 HIS A 392 -2.847 -4.884 1.860 1.00 0.00 H +ATOM 441 N PHE A 393 -0.203 -4.334 -4.072 1.00 0.00 N +ATOM 442 CA PHE A 393 0.278 -2.927 -4.318 1.00 0.00 C +ATOM 443 C PHE A 393 -0.718 -2.191 -5.234 1.00 0.00 C +ATOM 444 O PHE A 393 -0.816 -0.979 -5.191 1.00 0.00 O +ATOM 445 CB PHE A 393 1.650 -3.040 -5.004 1.00 0.00 C +ATOM 446 CG PHE A 393 2.720 -3.228 -3.955 1.00 0.00 C +ATOM 447 CD1 PHE A 393 3.072 -2.148 -3.102 1.00 0.00 C +ATOM 448 CD2 PHE A 393 3.373 -4.483 -3.818 1.00 0.00 C +ATOM 449 CE1 PHE A 393 4.076 -2.322 -2.112 1.00 0.00 C +ATOM 450 CE2 PHE A 393 4.377 -4.658 -2.828 1.00 0.00 C +ATOM 451 CZ PHE A 393 4.729 -3.577 -1.975 1.00 0.00 C +ATOM 452 H PHE A 393 0.346 -5.104 -4.344 1.00 0.00 H +ATOM 453 HA PHE A 393 0.376 -2.398 -3.384 1.00 0.00 H +ATOM 454 HB2 PHE A 393 1.649 -3.889 -5.673 1.00 0.00 H +ATOM 455 HB3 PHE A 393 1.851 -2.140 -5.564 1.00 0.00 H +ATOM 456 HD1 PHE A 393 2.576 -1.196 -3.206 1.00 0.00 H +ATOM 457 HD2 PHE A 393 3.106 -5.305 -4.467 1.00 0.00 H +ATOM 458 HE1 PHE A 393 4.343 -1.501 -1.463 1.00 0.00 H +ATOM 459 HE2 PHE A 393 4.874 -5.611 -2.724 1.00 0.00 H +ATOM 460 HZ PHE A 393 5.492 -3.709 -1.222 1.00 0.00 H +ATOM 461 N GLN A 394 -1.457 -2.909 -6.065 1.00 0.00 N +ATOM 462 CA GLN A 394 -2.439 -2.212 -6.971 1.00 0.00 C +ATOM 463 C GLN A 394 -3.737 -1.872 -6.216 1.00 0.00 C +ATOM 464 O GLN A 394 -4.414 -0.920 -6.556 1.00 0.00 O +ATOM 465 CB GLN A 394 -2.749 -3.178 -8.125 1.00 0.00 C +ATOM 466 CG GLN A 394 -1.580 -3.201 -9.112 1.00 0.00 C +ATOM 467 CD GLN A 394 -0.695 -4.414 -8.818 1.00 0.00 C +ATOM 468 OE1 GLN A 394 -0.893 -5.469 -9.386 1.00 0.00 O +ATOM 469 NE2 GLN A 394 0.288 -4.315 -7.960 1.00 0.00 N +ATOM 470 H GLN A 394 -1.354 -3.895 -6.093 1.00 0.00 H +ATOM 471 HA GLN A 394 -1.996 -1.312 -7.363 1.00 0.00 H +ATOM 472 HB2 GLN A 394 -2.909 -4.170 -7.729 1.00 0.00 H +ATOM 473 HB3 GLN A 394 -3.642 -2.850 -8.637 1.00 0.00 H +ATOM 474 HG2 GLN A 394 -1.961 -3.272 -10.120 1.00 0.00 H +ATOM 475 HG3 GLN A 394 -0.999 -2.298 -9.008 1.00 0.00 H +ATOM 476 HE21 GLN A 394 0.476 -3.465 -7.509 1.00 0.00 H +ATOM 477 HE22 GLN A 394 0.824 -5.109 -7.747 1.00 0.00 H +ATOM 478 N HIS A 395 -4.113 -2.648 -5.217 1.00 0.00 N +ATOM 479 CA HIS A 395 -5.395 -2.345 -4.487 1.00 0.00 C +ATOM 480 C HIS A 395 -5.170 -1.349 -3.338 1.00 0.00 C +ATOM 481 O HIS A 395 -6.026 -0.529 -3.060 1.00 0.00 O +ATOM 482 CB HIS A 395 -5.886 -3.681 -3.926 1.00 0.00 C +ATOM 483 CG HIS A 395 -6.279 -4.595 -5.054 1.00 0.00 C +ATOM 484 ND1 HIS A 395 -7.226 -5.594 -4.894 1.00 0.00 N +ATOM 485 CD2 HIS A 395 -5.862 -4.681 -6.361 1.00 0.00 C +ATOM 486 CE1 HIS A 395 -7.347 -6.233 -6.071 1.00 0.00 C +ATOM 487 NE2 HIS A 395 -6.538 -5.717 -7.000 1.00 0.00 N +ATOM 488 H HIS A 395 -3.570 -3.436 -4.966 1.00 0.00 H +ATOM 489 HA HIS A 395 -6.126 -1.952 -5.176 1.00 0.00 H +ATOM 490 HB2 HIS A 395 -5.093 -4.136 -3.354 1.00 0.00 H +ATOM 491 HB3 HIS A 395 -6.738 -3.508 -3.288 1.00 0.00 H +ATOM 492 HD1 HIS A 395 -7.718 -5.797 -4.071 1.00 0.00 H +ATOM 493 HD2 HIS A 395 -5.122 -4.042 -6.821 1.00 0.00 H +ATOM 494 HE1 HIS A 395 -8.016 -7.063 -6.244 1.00 0.00 H +ATOM 495 HE2 HIS A 395 -6.441 -6.005 -7.932 1.00 0.00 H +ATOM 496 N PHE A 396 -4.046 -1.411 -2.656 1.00 0.00 N +ATOM 497 CA PHE A 396 -3.811 -0.462 -1.522 1.00 0.00 C +ATOM 498 C PHE A 396 -2.533 0.351 -1.756 1.00 0.00 C +ATOM 499 O PHE A 396 -1.525 -0.184 -2.181 1.00 0.00 O +ATOM 500 CB PHE A 396 -3.645 -1.347 -0.283 1.00 0.00 C +ATOM 501 CG PHE A 396 -4.889 -2.177 -0.070 1.00 0.00 C +ATOM 502 CD1 PHE A 396 -5.091 -3.360 -0.830 1.00 0.00 C +ATOM 503 CD2 PHE A 396 -5.855 -1.777 0.892 1.00 0.00 C +ATOM 504 CE1 PHE A 396 -6.259 -4.144 -0.628 1.00 0.00 C +ATOM 505 CE2 PHE A 396 -7.023 -2.560 1.094 1.00 0.00 C +ATOM 506 CZ PHE A 396 -7.225 -3.743 0.333 1.00 0.00 C +ATOM 507 H PHE A 396 -3.363 -2.082 -2.879 1.00 0.00 H +ATOM 508 HA PHE A 396 -4.658 0.197 -1.395 1.00 0.00 H +ATOM 509 HB2 PHE A 396 -2.797 -2.000 -0.421 1.00 0.00 H +ATOM 510 HB3 PHE A 396 -3.479 -0.723 0.583 1.00 0.00 H +ATOM 511 HD1 PHE A 396 -4.356 -3.665 -1.561 1.00 0.00 H +ATOM 512 HD2 PHE A 396 -5.701 -0.878 1.470 1.00 0.00 H +ATOM 513 HE1 PHE A 396 -6.412 -5.043 -1.207 1.00 0.00 H +ATOM 514 HE2 PHE A 396 -7.757 -2.256 1.825 1.00 0.00 H +ATOM 515 HZ PHE A 396 -8.113 -4.339 0.486 1.00 0.00 H +ATOM 516 N SER A 397 -2.561 1.639 -1.478 1.00 0.00 N +ATOM 517 CA SER A 397 -1.338 2.470 -1.682 1.00 0.00 C +ATOM 518 C SER A 397 -0.482 2.465 -0.412 1.00 0.00 C +ATOM 519 O SER A 397 -0.906 1.997 0.629 1.00 0.00 O +ATOM 520 CB SER A 397 -1.817 3.892 -2.017 1.00 0.00 C +ATOM 521 OG SER A 397 -1.176 4.335 -3.208 1.00 0.00 O +ATOM 522 H SER A 397 -3.378 2.054 -1.138 1.00 0.00 H +ATOM 523 HA SER A 397 -0.767 2.077 -2.500 1.00 0.00 H +ATOM 524 HB2 SER A 397 -2.883 3.890 -2.171 1.00 0.00 H +ATOM 525 HB3 SER A 397 -1.575 4.556 -1.198 1.00 0.00 H +ATOM 526 HG SER A 397 -1.677 5.076 -3.558 1.00 0.00 H +ATOM 527 N HIS A 398 0.725 2.966 -0.499 1.00 0.00 N +ATOM 528 CA HIS A 398 1.619 2.975 0.691 1.00 0.00 C +ATOM 529 C HIS A 398 2.466 4.244 0.697 1.00 0.00 C +ATOM 530 O HIS A 398 2.677 4.836 -0.342 1.00 0.00 O +ATOM 531 CB HIS A 398 2.521 1.746 0.529 1.00 0.00 C +ATOM 532 CG HIS A 398 1.701 0.484 0.522 1.00 0.00 C +ATOM 533 ND1 HIS A 398 1.310 -0.141 -0.654 1.00 0.00 N +ATOM 534 CD2 HIS A 398 1.219 -0.299 1.541 1.00 0.00 C +ATOM 535 CE1 HIS A 398 0.626 -1.252 -0.316 1.00 0.00 C +ATOM 536 NE2 HIS A 398 0.543 -1.394 1.013 1.00 0.00 N +ATOM 537 H HIS A 398 1.041 3.330 -1.357 1.00 0.00 H +ATOM 538 HA HIS A 398 1.039 2.902 1.596 1.00 0.00 H +ATOM 539 HB2 HIS A 398 3.064 1.822 -0.401 1.00 0.00 H +ATOM 540 HB3 HIS A 398 3.224 1.710 1.349 1.00 0.00 H +ATOM 541 HD1 HIS A 398 1.501 0.167 -1.564 1.00 0.00 H +ATOM 542 HD2 HIS A 398 1.348 -0.095 2.594 1.00 0.00 H +ATOM 543 HE1 HIS A 398 0.197 -1.944 -1.034 1.00 0.00 H +ATOM 544 N PRO A 399 2.956 4.625 1.859 1.00 0.00 N +ATOM 545 CA PRO A 399 3.808 5.835 1.942 1.00 0.00 C +ATOM 546 C PRO A 399 5.049 5.613 1.065 1.00 0.00 C +ATOM 547 O PRO A 399 5.584 4.520 1.020 1.00 0.00 O +ATOM 548 CB PRO A 399 4.141 5.940 3.435 1.00 0.00 C +ATOM 549 CG PRO A 399 3.962 4.550 3.949 1.00 0.00 C +ATOM 550 CD PRO A 399 2.804 3.983 3.173 1.00 0.00 C +ATOM 551 HA PRO A 399 3.262 6.706 1.616 1.00 0.00 H +ATOM 552 HB2 PRO A 399 5.161 6.270 3.571 1.00 0.00 H +ATOM 553 HB3 PRO A 399 3.452 6.609 3.932 1.00 0.00 H +ATOM 554 HG2 PRO A 399 4.858 3.969 3.771 1.00 0.00 H +ATOM 555 HG3 PRO A 399 3.726 4.566 5.000 1.00 0.00 H +ATOM 556 HD2 PRO A 399 2.889 2.906 3.093 1.00 0.00 H +ATOM 557 HD3 PRO A 399 1.865 4.265 3.622 1.00 0.00 H +ATOM 558 N GLY A 400 5.478 6.609 0.324 1.00 0.00 N +ATOM 559 CA GLY A 400 6.643 6.404 -0.586 1.00 0.00 C +ATOM 560 C GLY A 400 6.155 6.212 -2.044 1.00 0.00 C +ATOM 561 O GLY A 400 6.963 6.081 -2.945 1.00 0.00 O +ATOM 562 H GLY A 400 5.018 7.478 0.335 1.00 0.00 H +ATOM 563 HA2 GLY A 400 7.294 7.265 -0.534 1.00 0.00 H +ATOM 564 HA3 GLY A 400 7.188 5.525 -0.277 1.00 0.00 H +ATOM 565 N ASP A 401 4.850 6.214 -2.301 1.00 0.00 N +ATOM 566 CA ASP A 401 4.360 6.057 -3.697 1.00 0.00 C +ATOM 567 C ASP A 401 3.714 7.374 -4.136 1.00 0.00 C +ATOM 568 O ASP A 401 3.194 8.106 -3.313 1.00 0.00 O +ATOM 569 CB ASP A 401 3.321 4.933 -3.642 1.00 0.00 C +ATOM 570 CG ASP A 401 4.031 3.582 -3.717 1.00 0.00 C +ATOM 571 OD1 ASP A 401 4.353 3.162 -4.816 1.00 0.00 O +ATOM 572 OD2 ASP A 401 4.243 2.988 -2.672 1.00 0.00 O +ATOM 573 H ASP A 401 4.198 6.347 -1.585 1.00 0.00 H +ATOM 574 HA ASP A 401 5.169 5.789 -4.358 1.00 0.00 H +ATOM 575 HB2 ASP A 401 2.769 4.999 -2.716 1.00 0.00 H +ATOM 576 HB3 ASP A 401 2.642 5.028 -4.475 1.00 0.00 H +ATOM 577 N SER A 402 3.744 7.698 -5.409 1.00 0.00 N +ATOM 578 CA SER A 402 3.122 8.998 -5.844 1.00 0.00 C +ATOM 579 C SER A 402 1.616 9.032 -5.522 1.00 0.00 C +ATOM 580 O SER A 402 1.043 10.102 -5.418 1.00 0.00 O +ATOM 581 CB SER A 402 3.343 9.120 -7.359 1.00 0.00 C +ATOM 582 OG SER A 402 2.777 10.343 -7.815 1.00 0.00 O +ATOM 583 H SER A 402 4.173 7.099 -6.067 1.00 0.00 H +ATOM 584 HA SER A 402 3.616 9.818 -5.346 1.00 0.00 H +ATOM 585 HB2 SER A 402 4.399 9.118 -7.572 1.00 0.00 H +ATOM 586 HB3 SER A 402 2.873 8.285 -7.859 1.00 0.00 H +ATOM 587 HG SER A 402 3.338 11.063 -7.512 1.00 0.00 H +ATOM 588 N ASP A 403 0.949 7.895 -5.384 1.00 0.00 N +ATOM 589 CA ASP A 403 -0.528 7.937 -5.096 1.00 0.00 C +ATOM 590 C ASP A 403 -0.853 7.733 -3.602 1.00 0.00 C +ATOM 591 O ASP A 403 -2.015 7.668 -3.246 1.00 0.00 O +ATOM 592 CB ASP A 403 -1.142 6.796 -5.919 1.00 0.00 C +ATOM 593 CG ASP A 403 -0.930 7.068 -7.407 1.00 0.00 C +ATOM 594 OD1 ASP A 403 -1.711 7.814 -7.972 1.00 0.00 O +ATOM 595 OD2 ASP A 403 0.013 6.523 -7.959 1.00 0.00 O +ATOM 596 H ASP A 403 1.390 7.021 -5.491 1.00 0.00 H +ATOM 597 HA ASP A 403 -0.938 8.876 -5.434 1.00 0.00 H +ATOM 598 HB2 ASP A 403 -0.666 5.863 -5.652 1.00 0.00 H +ATOM 599 HB3 ASP A 403 -2.200 6.732 -5.713 1.00 0.00 H +ATOM 600 N TYR A 404 0.129 7.637 -2.713 1.00 0.00 N +ATOM 601 CA TYR A 404 -0.212 7.446 -1.254 1.00 0.00 C +ATOM 602 C TYR A 404 -1.158 8.564 -0.800 1.00 0.00 C +ATOM 603 O TYR A 404 -1.014 9.703 -1.205 1.00 0.00 O +ATOM 604 CB TYR A 404 1.103 7.523 -0.458 1.00 0.00 C +ATOM 605 CG TYR A 404 0.825 7.209 0.997 1.00 0.00 C +ATOM 606 CD1 TYR A 404 0.146 6.010 1.349 1.00 0.00 C +ATOM 607 CD2 TYR A 404 1.241 8.112 2.014 1.00 0.00 C +ATOM 608 CE1 TYR A 404 -0.115 5.714 2.715 1.00 0.00 C +ATOM 609 CE2 TYR A 404 0.979 7.816 3.380 1.00 0.00 C +ATOM 610 CZ TYR A 404 0.301 6.617 3.730 1.00 0.00 C +ATOM 611 OH TYR A 404 0.048 6.329 5.057 1.00 0.00 O +ATOM 612 H TYR A 404 1.064 7.689 -2.996 1.00 0.00 H +ATOM 613 HA TYR A 404 -0.680 6.481 -1.104 1.00 0.00 H +ATOM 614 HB2 TYR A 404 1.806 6.808 -0.856 1.00 0.00 H +ATOM 615 HB3 TYR A 404 1.517 8.517 -0.538 1.00 0.00 H +ATOM 616 HD1 TYR A 404 -0.171 5.324 0.578 1.00 0.00 H +ATOM 617 HD2 TYR A 404 1.755 9.024 1.750 1.00 0.00 H +ATOM 618 HE1 TYR A 404 -0.632 4.803 2.981 1.00 0.00 H +ATOM 619 HE2 TYR A 404 1.295 8.501 4.153 1.00 0.00 H +ATOM 620 HH TYR A 404 0.887 6.146 5.488 1.00 0.00 H +ATOM 621 N GLY A 405 -2.128 8.251 0.025 1.00 0.00 N +ATOM 622 CA GLY A 405 -3.082 9.314 0.479 1.00 0.00 C +ATOM 623 C GLY A 405 -3.762 8.904 1.787 1.00 0.00 C +ATOM 624 O GLY A 405 -4.941 9.143 1.973 1.00 0.00 O +ATOM 625 H GLY A 405 -2.228 7.321 0.341 1.00 0.00 H +ATOM 626 HA2 GLY A 405 -2.543 10.236 0.635 1.00 0.00 H +ATOM 627 HA3 GLY A 405 -3.833 9.465 -0.278 1.00 0.00 H +ATOM 628 N GLY A 406 -3.037 8.298 2.699 1.00 0.00 N +ATOM 629 CA GLY A 406 -3.657 7.894 3.987 1.00 0.00 C +ATOM 630 C GLY A 406 -3.354 8.959 5.032 1.00 0.00 C +ATOM 631 O GLY A 406 -4.253 9.524 5.622 1.00 0.00 O +ATOM 632 H GLY A 406 -2.084 8.116 2.543 1.00 0.00 H +ATOM 633 HA2 GLY A 406 -4.723 7.802 3.860 1.00 0.00 H +ATOM 634 HA3 GLY A 406 -3.241 6.956 4.311 1.00 0.00 H +ATOM 635 N VAL A 407 -2.087 9.255 5.251 1.00 0.00 N +ATOM 636 CA VAL A 407 -1.698 10.298 6.243 1.00 0.00 C +ATOM 637 C VAL A 407 -2.504 10.160 7.551 1.00 0.00 C +ATOM 638 O VAL A 407 -3.316 11.007 7.876 1.00 0.00 O +ATOM 639 CB VAL A 407 -1.997 11.618 5.532 1.00 0.00 C +ATOM 640 CG1 VAL A 407 -1.707 12.806 6.464 1.00 0.00 C +ATOM 641 CG2 VAL A 407 -1.118 11.717 4.278 1.00 0.00 C +ATOM 642 H VAL A 407 -1.383 8.803 4.742 1.00 0.00 H +ATOM 643 HA VAL A 407 -0.647 10.225 6.444 1.00 0.00 H +ATOM 644 HB VAL A 407 -3.035 11.631 5.241 1.00 0.00 H +ATOM 645 HG11 VAL A 407 -0.855 13.360 6.096 1.00 0.00 H +ATOM 646 HG12 VAL A 407 -1.495 12.443 7.460 1.00 0.00 H +ATOM 647 HG13 VAL A 407 -2.570 13.455 6.497 1.00 0.00 H +ATOM 648 HG21 VAL A 407 -1.209 10.805 3.703 1.00 0.00 H +ATOM 649 HG22 VAL A 407 -0.087 11.853 4.572 1.00 0.00 H +ATOM 650 HG23 VAL A 407 -1.436 12.555 3.678 1.00 0.00 H +ATOM 651 N GLN A 408 -2.295 9.093 8.292 1.00 0.00 N +ATOM 652 CA GLN A 408 -3.063 8.907 9.563 1.00 0.00 C +ATOM 653 C GLN A 408 -2.154 9.201 10.768 1.00 0.00 C +ATOM 654 O GLN A 408 -1.963 8.360 11.626 1.00 0.00 O +ATOM 655 CB GLN A 408 -3.517 7.436 9.573 1.00 0.00 C +ATOM 656 CG GLN A 408 -4.245 7.090 8.260 1.00 0.00 C +ATOM 657 CD GLN A 408 -3.327 6.254 7.350 1.00 0.00 C +ATOM 658 OE1 GLN A 408 -2.161 6.071 7.644 1.00 0.00 O +ATOM 659 NE2 GLN A 408 -3.800 5.732 6.244 1.00 0.00 N +ATOM 660 H GLN A 408 -1.640 8.413 8.010 1.00 0.00 H +ATOM 661 HA GLN A 408 -3.924 9.558 9.577 1.00 0.00 H +ATOM 662 HB2 GLN A 408 -2.655 6.797 9.687 1.00 0.00 H +ATOM 663 HB3 GLN A 408 -4.190 7.277 10.403 1.00 0.00 H +ATOM 664 HG2 GLN A 408 -5.138 6.525 8.485 1.00 0.00 H +ATOM 665 HG3 GLN A 408 -4.518 8.002 7.750 1.00 0.00 H +ATOM 666 HE21 GLN A 408 -4.737 5.871 5.988 1.00 0.00 H +ATOM 667 HE22 GLN A 408 -3.213 5.199 5.668 1.00 0.00 H +ATOM 668 N ILE A 409 -1.590 10.396 10.848 1.00 0.00 N +ATOM 669 CA ILE A 409 -0.697 10.747 12.001 1.00 0.00 C +ATOM 670 C ILE A 409 0.381 9.663 12.206 1.00 0.00 C +ATOM 671 O ILE A 409 0.304 8.876 13.130 1.00 0.00 O +ATOM 672 CB ILE A 409 -1.640 10.828 13.209 1.00 0.00 C +ATOM 673 CG1 ILE A 409 -2.664 11.945 12.977 1.00 0.00 C +ATOM 674 CG2 ILE A 409 -0.845 11.123 14.490 1.00 0.00 C +ATOM 675 CD1 ILE A 409 -3.917 11.669 13.811 1.00 0.00 C +ATOM 676 H ILE A 409 -1.757 11.066 10.154 1.00 0.00 H +ATOM 677 HA ILE A 409 -0.232 11.708 11.834 1.00 0.00 H +ATOM 678 HB ILE A 409 -2.155 9.887 13.314 1.00 0.00 H +ATOM 679 HG12 ILE A 409 -2.236 12.892 13.272 1.00 0.00 H +ATOM 680 HG13 ILE A 409 -2.931 11.979 11.932 1.00 0.00 H +ATOM 681 HG21 ILE A 409 -0.982 12.156 14.774 1.00 0.00 H +ATOM 682 HG22 ILE A 409 0.204 10.936 14.319 1.00 0.00 H +ATOM 683 HG23 ILE A 409 -1.197 10.483 15.286 1.00 0.00 H +ATOM 684 HD11 ILE A 409 -3.783 12.068 14.806 1.00 0.00 H +ATOM 685 HD12 ILE A 409 -4.084 10.604 13.869 1.00 0.00 H +ATOM 686 HD13 ILE A 409 -4.770 12.142 13.346 1.00 0.00 H +ATOM 687 N VAL A 410 1.386 9.623 11.356 1.00 0.00 N +ATOM 688 CA VAL A 410 2.463 8.599 11.515 1.00 0.00 C +ATOM 689 C VAL A 410 3.813 9.306 11.715 1.00 0.00 C +ATOM 690 O VAL A 410 4.649 9.315 10.829 1.00 0.00 O +ATOM 691 CB VAL A 410 2.454 7.796 10.208 1.00 0.00 C +ATOM 692 CG1 VAL A 410 3.529 6.705 10.264 1.00 0.00 C +ATOM 693 CG2 VAL A 410 1.082 7.140 10.015 1.00 0.00 C +ATOM 694 H VAL A 410 1.439 10.269 10.617 1.00 0.00 H +ATOM 695 HA VAL A 410 2.248 7.952 12.350 1.00 0.00 H +ATOM 696 HB VAL A 410 2.659 8.458 9.379 1.00 0.00 H +ATOM 697 HG11 VAL A 410 3.090 5.785 10.621 1.00 0.00 H +ATOM 698 HG12 VAL A 410 4.320 7.008 10.932 1.00 0.00 H +ATOM 699 HG13 VAL A 410 3.934 6.549 9.275 1.00 0.00 H +ATOM 700 HG21 VAL A 410 0.843 7.110 8.962 1.00 0.00 H +ATOM 701 HG22 VAL A 410 0.331 7.712 10.538 1.00 0.00 H +ATOM 702 HG23 VAL A 410 1.105 6.134 10.407 1.00 0.00 H +ATOM 703 N GLY A 411 4.031 9.908 12.866 1.00 0.00 N +ATOM 704 CA GLY A 411 5.321 10.619 13.104 1.00 0.00 C +ATOM 705 C GLY A 411 5.039 12.085 13.435 1.00 0.00 C +ATOM 706 O GLY A 411 5.647 12.654 14.321 1.00 0.00 O +ATOM 707 H GLY A 411 3.345 9.901 13.570 1.00 0.00 H +ATOM 708 HA2 GLY A 411 5.844 10.157 13.926 1.00 0.00 H +ATOM 709 HA3 GLY A 411 5.925 10.572 12.214 1.00 0.00 H +ATOM 710 N GLN A 412 4.122 12.709 12.723 1.00 0.00 N +ATOM 711 CA GLN A 412 3.798 14.143 12.982 1.00 0.00 C +ATOM 712 C GLN A 412 5.068 15.007 12.939 1.00 0.00 C +ATOM 713 O GLN A 412 5.592 15.398 13.962 1.00 0.00 O +ATOM 714 CB GLN A 412 3.161 14.182 14.372 1.00 0.00 C +ATOM 715 CG GLN A 412 1.751 13.591 14.299 1.00 0.00 C +ATOM 716 CD GLN A 412 1.500 12.701 15.523 1.00 0.00 C +ATOM 717 OE1 GLN A 412 0.542 12.902 16.243 1.00 0.00 O +ATOM 718 NE2 GLN A 412 2.325 11.719 15.796 1.00 0.00 N +ATOM 719 H GLN A 412 3.645 12.235 12.005 1.00 0.00 H +ATOM 720 HA GLN A 412 3.091 14.484 12.249 1.00 0.00 H +ATOM 721 HB2 GLN A 412 3.763 13.607 15.061 1.00 0.00 H +ATOM 722 HB3 GLN A 412 3.103 15.205 14.713 1.00 0.00 H +ATOM 723 HG2 GLN A 412 1.028 14.393 14.280 1.00 0.00 H +ATOM 724 HG3 GLN A 412 1.655 12.999 13.400 1.00 0.00 H +ATOM 725 HE21 GLN A 412 3.104 11.549 15.222 1.00 0.00 H +ATOM 726 HE22 GLN A 412 2.163 11.151 16.578 1.00 0.00 H +ATOM 727 N ASP A 413 5.568 15.305 11.758 1.00 0.00 N +ATOM 728 CA ASP A 413 6.808 16.143 11.640 1.00 0.00 C +ATOM 729 C ASP A 413 7.942 15.614 12.544 1.00 0.00 C +ATOM 730 O ASP A 413 8.768 16.378 13.006 1.00 0.00 O +ATOM 731 CB ASP A 413 6.385 17.546 12.080 1.00 0.00 C +ATOM 732 CG ASP A 413 7.432 18.563 11.623 1.00 0.00 C +ATOM 733 OD1 ASP A 413 7.532 18.783 10.427 1.00 0.00 O +ATOM 734 OD2 ASP A 413 8.116 19.104 12.476 1.00 0.00 O +ATOM 735 H ASP A 413 5.129 14.977 10.941 1.00 0.00 H +ATOM 736 HA ASP A 413 7.139 16.169 10.615 1.00 0.00 H +ATOM 737 HB2 ASP A 413 5.429 17.788 11.639 1.00 0.00 H +ATOM 738 HB3 ASP A 413 6.303 17.576 13.156 1.00 0.00 H +ATOM 739 N GLU A 414 8.001 14.317 12.793 1.00 0.00 N +ATOM 740 CA GLU A 414 9.092 13.752 13.656 1.00 0.00 C +ATOM 741 C GLU A 414 9.242 14.539 14.971 1.00 0.00 C +ATOM 742 O GLU A 414 10.346 14.780 15.424 1.00 0.00 O +ATOM 743 CB GLU A 414 10.363 13.872 12.815 1.00 0.00 C +ATOM 744 CG GLU A 414 11.266 12.666 13.078 1.00 0.00 C +ATOM 745 CD GLU A 414 12.671 12.953 12.544 1.00 0.00 C +ATOM 746 OE1 GLU A 414 13.421 13.620 13.236 1.00 0.00 O +ATOM 747 OE2 GLU A 414 12.971 12.501 11.451 1.00 0.00 O +ATOM 748 H GLU A 414 7.336 13.709 12.406 1.00 0.00 H +ATOM 749 HA GLU A 414 8.895 12.715 13.870 1.00 0.00 H +ATOM 750 HB2 GLU A 414 10.099 13.905 11.767 1.00 0.00 H +ATOM 751 HB3 GLU A 414 10.888 14.777 13.082 1.00 0.00 H +ATOM 752 HG2 GLU A 414 11.315 12.478 14.141 1.00 0.00 H +ATOM 753 HG3 GLU A 414 10.863 11.798 12.577 1.00 0.00 H +ATOM 754 N THR A 415 8.150 14.935 15.591 1.00 0.00 N +ATOM 755 CA THR A 415 8.255 15.694 16.872 1.00 0.00 C +ATOM 756 C THR A 415 7.606 14.894 18.011 1.00 0.00 C +ATOM 757 O THR A 415 6.594 15.292 18.558 1.00 0.00 O +ATOM 758 CB THR A 415 7.504 17.007 16.631 1.00 0.00 C +ATOM 759 OG1 THR A 415 6.589 16.848 15.556 1.00 0.00 O +ATOM 760 CG2 THR A 415 8.505 18.111 16.292 1.00 0.00 C +ATOM 761 H THR A 415 7.265 14.732 15.220 1.00 0.00 H +ATOM 762 HA THR A 415 9.289 15.897 17.102 1.00 0.00 H +ATOM 763 HB THR A 415 6.964 17.279 17.523 1.00 0.00 H +ATOM 764 HG1 THR A 415 5.795 16.432 15.901 1.00 0.00 H +ATOM 765 HG21 THR A 415 9.463 17.873 16.731 1.00 0.00 H +ATOM 766 HG22 THR A 415 8.151 19.052 16.686 1.00 0.00 H +ATOM 767 HG23 THR A 415 8.609 18.184 15.220 1.00 0.00 H +ATOM 768 N ASP A 416 8.181 13.766 18.376 1.00 0.00 N +ATOM 769 CA ASP A 416 7.594 12.947 19.480 1.00 0.00 C +ATOM 770 C ASP A 416 8.556 12.904 20.677 1.00 0.00 C +ATOM 771 O ASP A 416 8.790 11.855 21.248 1.00 0.00 O +ATOM 772 CB ASP A 416 7.412 11.549 18.887 1.00 0.00 C +ATOM 773 CG ASP A 416 6.294 11.578 17.843 1.00 0.00 C +ATOM 774 OD1 ASP A 416 6.215 12.554 17.116 1.00 0.00 O +ATOM 775 OD2 ASP A 416 5.537 10.623 17.788 1.00 0.00 O +ATOM 776 H ASP A 416 8.999 13.458 17.924 1.00 0.00 H +ATOM 777 HA ASP A 416 6.638 13.349 19.779 1.00 0.00 H +ATOM 778 HB2 ASP A 416 8.334 11.233 18.421 1.00 0.00 H +ATOM 779 HB3 ASP A 416 7.149 10.856 19.673 1.00 0.00 H +ATOM 780 N ASP A 417 9.117 14.033 21.064 1.00 0.00 N +ATOM 781 CA ASP A 417 10.060 14.042 22.223 1.00 0.00 C +ATOM 782 C ASP A 417 9.501 14.910 23.353 1.00 0.00 C +ATOM 783 O ASP A 417 8.293 15.071 23.407 1.00 0.00 O +ATOM 784 CB ASP A 417 11.355 14.642 21.675 1.00 0.00 C +ATOM 785 CG ASP A 417 12.464 14.504 22.720 1.00 0.00 C +ATOM 786 OD1 ASP A 417 12.828 13.380 23.024 1.00 0.00 O +ATOM 787 OD2 ASP A 417 12.931 15.525 23.197 1.00 0.00 O +ATOM 788 H ASP A 417 8.920 14.874 20.595 1.00 0.00 H +ATOM 789 HA ASP A 417 10.238 13.037 22.572 1.00 0.00 H +ATOM 790 HB2 ASP A 417 11.641 14.119 20.774 1.00 0.00 H +ATOM 791 HB3 ASP A 417 11.202 15.687 21.452 1.00 0.00 H Added: SwiftApps/modFTdock/input/indata/2ksg-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2ksg-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2ksg-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,696 @@ +ATOM 1 N SER A 1 10.641 12.155 -5.039 1.00 45.51 N +ATOM 2 CA SER A 1 11.628 11.957 -6.118 1.00 24.24 C +ATOM 3 C SER A 1 12.477 10.717 -5.837 1.00 33.42 C +ATOM 4 O SER A 1 13.414 10.754 -5.040 1.00 34.34 O +ATOM 5 CB SER A 1 12.517 13.201 -6.252 1.00 22.32 C +ATOM 6 OG SER A 1 13.401 13.095 -7.356 1.00 32.22 O +ATOM 7 H1 SER A 1 10.063 12.998 -5.235 1.00 0.00 H +ATOM 8 H2 SER A 1 11.131 12.287 -4.130 1.00 0.00 H +ATOM 9 H3 SER A 1 10.015 11.322 -4.973 1.00 0.00 H +ATOM 10 HA SER A 1 11.090 11.807 -7.044 1.00 12.25 H +ATOM 11 HB2 SER A 1 11.893 14.072 -6.392 1.00 60.40 H +ATOM 12 HB3 SER A 1 13.101 13.322 -5.350 1.00 12.23 H +ATOM 13 HG SER A 1 14.308 13.269 -7.060 1.00 40.40 H +ATOM 14 N SER A 2 12.126 9.611 -6.475 1.00 15.22 N +ATOM 15 CA SER A 2 12.866 8.373 -6.318 1.00 33.33 C +ATOM 16 C SER A 2 13.203 7.789 -7.685 1.00 2.34 C +ATOM 17 O SER A 2 12.392 7.094 -8.295 1.00 25.20 O +ATOM 18 CB SER A 2 12.060 7.382 -5.470 1.00 14.51 C +ATOM 19 OG SER A 2 10.674 7.481 -5.752 1.00 11.53 O +ATOM 20 H SER A 2 11.345 9.625 -7.069 1.00 5.20 H +ATOM 21 HA SER A 2 13.789 8.606 -5.803 1.00 31.30 H +ATOM 22 HB2 SER A 2 12.387 6.376 -5.689 1.00 2.42 H +ATOM 23 HB3 SER A 2 12.218 7.594 -4.423 1.00 74.02 H +ATOM 24 HG SER A 2 10.461 6.938 -6.529 1.00 12.13 H +ATOM 25 N LEU A 3 14.393 8.111 -8.177 1.00 30.34 N +ATOM 26 CA LEU A 3 14.806 7.702 -9.512 1.00 71.43 C +ATOM 27 C LEU A 3 15.434 6.312 -9.500 1.00 53.52 C +ATOM 28 O LEU A 3 15.107 5.470 -10.331 1.00 31.30 O +ATOM 29 CB LEU A 3 15.793 8.715 -10.115 1.00 4.33 C +ATOM 30 CG LEU A 3 15.218 10.096 -10.467 1.00 22.40 C +ATOM 31 CD1 LEU A 3 13.947 9.955 -11.286 1.00 42.12 C +ATOM 32 CD2 LEU A 3 14.970 10.928 -9.216 1.00 12.20 C +ATOM 33 H LEU A 3 15.005 8.646 -7.632 1.00 45.31 H +ATOM 34 HA LEU A 3 13.922 7.669 -10.131 1.00 32.21 H +ATOM 35 HB2 LEU A 3 16.599 8.857 -9.410 1.00 34.42 H +ATOM 36 HB3 LEU A 3 16.205 8.286 -11.015 1.00 54.41 H +ATOM 37 HG LEU A 3 15.939 10.624 -11.075 1.00 42.52 H +ATOM 38 HD11 LEU A 3 13.558 10.934 -11.518 1.00 2.45 H +ATOM 39 HD12 LEU A 3 13.213 9.398 -10.721 1.00 0.54 H +ATOM 40 HD13 LEU A 3 14.169 9.428 -12.203 1.00 70.40 H +ATOM 41 HD21 LEU A 3 15.901 11.071 -8.689 1.00 72.35 H +ATOM 42 HD22 LEU A 3 14.269 10.414 -8.575 1.00 62.01 H +ATOM 43 HD23 LEU A 3 14.565 11.889 -9.497 1.00 23.24 H +ATOM 44 N LEU A 4 16.334 6.069 -8.555 1.00 42.33 N +ATOM 45 CA LEU A 4 17.044 4.796 -8.497 1.00 1.24 C +ATOM 46 C LEU A 4 16.928 4.190 -7.108 1.00 52.32 C +ATOM 47 O LEU A 4 16.185 4.693 -6.265 1.00 22.34 O +ATOM 48 CB LEU A 4 18.531 4.962 -8.859 1.00 21.21 C +ATOM 49 CG LEU A 4 18.841 5.285 -10.326 1.00 4.35 C +ATOM 50 CD1 LEU A 4 18.730 6.778 -10.593 1.00 41.23 C +ATOM 51 CD2 LEU A 4 20.228 4.782 -10.695 1.00 33.43 C +ATOM 52 H LEU A 4 16.502 6.744 -7.868 1.00 41.30 H +ATOM 53 HA LEU A 4 16.583 4.126 -9.208 1.00 74.43 H +ATOM 54 HB2 LEU A 4 18.935 5.759 -8.250 1.00 10.55 H +ATOM 55 HB3 LEU A 4 19.042 4.047 -8.603 1.00 53.03 H +ATOM 56 HG LEU A 4 18.125 4.781 -10.957 1.00 5.33 H +ATOM 57 HD11 LEU A 4 17.728 7.112 -10.361 1.00 31.41 H +ATOM 58 HD12 LEU A 4 18.943 6.976 -11.633 1.00 14.55 H +ATOM 59 HD13 LEU A 4 19.438 7.309 -9.974 1.00 71.42 H +ATOM 60 HD21 LEU A 4 20.963 5.253 -10.059 1.00 62.35 H +ATOM 61 HD22 LEU A 4 20.436 5.023 -11.726 1.00 0.45 H +ATOM 62 HD23 LEU A 4 20.270 3.710 -10.560 1.00 31.44 H +ATOM 63 N GLU A 5 17.685 3.119 -6.882 1.00 22.43 N +ATOM 64 CA GLU A 5 17.733 2.447 -5.586 1.00 0.51 C +ATOM 65 C GLU A 5 18.039 3.436 -4.461 1.00 30.22 C +ATOM 66 O GLU A 5 17.403 3.415 -3.410 1.00 13.41 O +ATOM 67 CB GLU A 5 18.799 1.348 -5.612 1.00 52.34 C +ATOM 68 CG GLU A 5 20.135 1.818 -6.171 1.00 10.34 C +ATOM 69 CD GLU A 5 21.258 0.832 -5.939 1.00 72.45 C +ATOM 70 OE1 GLU A 5 21.398 -0.115 -6.739 1.00 73.42 O +ATOM 71 OE2 GLU A 5 22.016 1.011 -4.961 1.00 50.34 O +ATOM 72 H GLU A 5 18.227 2.762 -7.617 1.00 13.45 H +ATOM 73 HA GLU A 5 16.766 1.998 -5.407 1.00 71.52 H +ATOM 74 HB2 GLU A 5 18.958 0.994 -4.604 1.00 13.51 H +ATOM 75 HB3 GLU A 5 18.444 0.530 -6.221 1.00 24.44 H +ATOM 76 HG2 GLU A 5 20.029 1.974 -7.234 1.00 53.43 H +ATOM 77 HG3 GLU A 5 20.395 2.754 -5.697 1.00 35.32 H +ATOM 78 N LYS A 6 18.999 4.322 -4.704 1.00 54.22 N +ATOM 79 CA LYS A 6 19.413 5.298 -3.705 1.00 43.41 C +ATOM 80 C LYS A 6 18.515 6.528 -3.744 1.00 62.01 C +ATOM 81 O LYS A 6 18.818 7.553 -3.138 1.00 53.45 O +ATOM 82 CB LYS A 6 20.871 5.698 -3.932 1.00 33.21 C +ATOM 83 CG LYS A 6 21.841 4.530 -3.850 1.00 13.15 C +ATOM 84 CD LYS A 6 23.269 4.981 -4.093 1.00 53.52 C +ATOM 85 CE LYS A 6 24.249 3.818 -4.035 1.00 52.54 C +ATOM 86 NZ LYS A 6 23.977 2.795 -5.083 1.00 33.45 N +ATOM 87 H LYS A 6 19.447 4.313 -5.575 1.00 10.25 H +ATOM 88 HA LYS A 6 19.323 4.833 -2.735 1.00 44.25 H +ATOM 89 HB2 LYS A 6 20.959 6.144 -4.912 1.00 1.33 H +ATOM 90 HB3 LYS A 6 21.155 6.428 -3.189 1.00 65.35 H +ATOM 91 HG2 LYS A 6 21.774 4.083 -2.870 1.00 54.15 H +ATOM 92 HG3 LYS A 6 21.573 3.799 -4.598 1.00 23.45 H +ATOM 93 HD2 LYS A 6 23.329 5.437 -5.069 1.00 54.34 H +ATOM 94 HD3 LYS A 6 23.538 5.707 -3.341 1.00 41.15 H +ATOM 95 HE2 LYS A 6 25.249 4.200 -4.172 1.00 31.42 H +ATOM 96 HE3 LYS A 6 24.174 3.351 -3.063 1.00 24.25 H +ATOM 97 HZ1 LYS A 6 23.141 2.222 -4.826 1.00 52.32 H +ATOM 98 HZ2 LYS A 6 24.799 2.156 -5.183 1.00 33.03 H +ATOM 99 HZ3 LYS A 6 23.794 3.253 -5.999 1.00 64.24 H +ATOM 100 N GLY A 7 17.405 6.418 -4.461 1.00 64.04 N +ATOM 101 CA GLY A 7 16.437 7.494 -4.505 1.00 44.30 C +ATOM 102 C GLY A 7 15.369 7.315 -3.450 1.00 2.44 C +ATOM 103 O GLY A 7 14.541 8.199 -3.231 1.00 33.35 O +ATOM 104 H GLY A 7 17.233 5.588 -4.959 1.00 32.32 H +ATOM 105 HA2 GLY A 7 16.947 8.433 -4.340 1.00 20.41 H +ATOM 106 HA3 GLY A 7 15.968 7.508 -5.477 1.00 41.02 H +ATOM 107 N LEU A 8 15.389 6.161 -2.800 1.00 24.24 N +ATOM 108 CA LEU A 8 14.450 5.867 -1.733 1.00 22.40 C +ATOM 109 C LEU A 8 14.995 6.370 -0.403 1.00 3.01 C +ATOM 110 O LEU A 8 16.206 6.358 -0.172 1.00 53.24 O +ATOM 111 CB LEU A 8 14.163 4.363 -1.657 1.00 50.55 C +ATOM 112 CG LEU A 8 13.234 3.801 -2.745 1.00 4.24 C +ATOM 113 CD1 LEU A 8 11.973 4.644 -2.865 1.00 10.12 C +ATOM 114 CD2 LEU A 8 13.950 3.708 -4.083 1.00 31.34 C +ATOM 115 H LEU A 8 16.067 5.494 -3.035 1.00 54.04 H +ATOM 116 HA LEU A 8 13.531 6.391 -1.952 1.00 42.23 H +ATOM 117 HB2 LEU A 8 15.106 3.842 -1.724 1.00 24.53 H +ATOM 118 HB3 LEU A 8 13.724 4.150 -0.695 1.00 14.13 H +ATOM 119 HG LEU A 8 12.931 2.804 -2.462 1.00 44.44 H +ATOM 120 HD11 LEU A 8 11.336 4.231 -3.632 1.00 4.12 H +ATOM 121 HD12 LEU A 8 12.243 5.656 -3.128 1.00 63.54 H +ATOM 122 HD13 LEU A 8 11.448 4.645 -1.922 1.00 62.21 H +ATOM 123 HD21 LEU A 8 13.281 3.293 -4.823 1.00 63.05 H +ATOM 124 HD22 LEU A 8 14.817 3.072 -3.983 1.00 4.03 H +ATOM 125 HD23 LEU A 8 14.262 4.695 -4.391 1.00 63.33 H +ATOM 126 N ASP A 9 14.098 6.799 0.471 1.00 53.23 N +ATOM 127 CA ASP A 9 14.491 7.415 1.732 1.00 72.05 C +ATOM 128 C ASP A 9 14.785 6.357 2.788 1.00 25.41 C +ATOM 129 O ASP A 9 15.686 6.517 3.616 1.00 30.31 O +ATOM 130 CB ASP A 9 13.390 8.356 2.215 1.00 35.43 C +ATOM 131 CG ASP A 9 13.778 9.125 3.459 1.00 20.15 C +ATOM 132 OD1 ASP A 9 14.932 9.595 3.539 1.00 55.14 O +ATOM 133 OD2 ASP A 9 12.913 9.299 4.342 1.00 64.14 O +ATOM 134 H ASP A 9 13.143 6.688 0.269 1.00 0.44 H +ATOM 135 HA ASP A 9 15.388 7.987 1.556 1.00 0.43 H +ATOM 136 HB2 ASP A 9 13.165 9.067 1.435 1.00 3.42 H +ATOM 137 HB3 ASP A 9 12.503 7.778 2.435 1.00 21.03 H +ATOM 138 N GLY A 10 14.041 5.260 2.733 1.00 44.35 N +ATOM 139 CA GLY A 10 14.236 4.175 3.677 1.00 55.03 C +ATOM 140 C GLY A 10 15.496 3.378 3.391 1.00 44.41 C +ATOM 141 O GLY A 10 15.850 2.469 4.145 1.00 31.15 O +ATOM 142 H GLY A 10 13.337 5.189 2.044 1.00 52.14 H +ATOM 143 HA2 GLY A 10 14.299 4.587 4.673 1.00 71.04 H +ATOM 144 HA3 GLY A 10 13.385 3.511 3.625 1.00 75.12 H +ATOM 145 N ALA A 11 16.187 3.729 2.310 1.00 33.33 N +ATOM 146 CA ALA A 11 17.409 3.038 1.921 1.00 44.35 C +ATOM 147 C ALA A 11 18.513 3.235 2.959 1.00 32.13 C +ATOM 148 O ALA A 11 19.411 2.407 3.085 1.00 52.54 O +ATOM 149 CB ALA A 11 17.872 3.524 0.559 1.00 51.44 C +ATOM 150 H ALA A 11 15.861 4.472 1.757 1.00 42.00 H +ATOM 151 HA ALA A 11 17.184 1.984 1.844 1.00 44.54 H +ATOM 152 HB1 ALA A 11 17.083 3.374 -0.163 1.00 3.40 H +ATOM 153 HB2 ALA A 11 18.748 2.969 0.257 1.00 4.04 H +ATOM 154 HB3 ALA A 11 18.112 4.574 0.617 1.00 32.32 H +ATOM 155 N LYS A 12 18.434 4.326 3.713 1.00 4.21 N +ATOM 156 CA LYS A 12 19.434 4.614 4.737 1.00 51.05 C +ATOM 157 C LYS A 12 19.092 3.909 6.051 1.00 2.14 C +ATOM 158 O LYS A 12 19.841 3.983 7.021 1.00 71.00 O +ATOM 159 CB LYS A 12 19.552 6.125 4.984 1.00 35.40 C +ATOM 160 CG LYS A 12 19.984 6.939 3.768 1.00 12.11 C +ATOM 161 CD LYS A 12 18.799 7.413 2.932 1.00 44.20 C +ATOM 162 CE LYS A 12 18.170 8.694 3.484 1.00 44.40 C +ATOM 163 NZ LYS A 12 17.490 8.487 4.791 1.00 3.12 N +ATOM 164 H LYS A 12 17.689 4.951 3.576 1.00 60.24 H +ATOM 165 HA LYS A 12 20.384 4.242 4.384 1.00 71.12 H +ATOM 166 HB2 LYS A 12 18.592 6.499 5.309 1.00 54.23 H +ATOM 167 HB3 LYS A 12 20.273 6.291 5.773 1.00 3.44 H +ATOM 168 HG2 LYS A 12 20.536 7.802 4.108 1.00 74.50 H +ATOM 169 HG3 LYS A 12 20.625 6.328 3.151 1.00 20.04 H +ATOM 170 HD2 LYS A 12 19.139 7.602 1.923 1.00 14.21 H +ATOM 171 HD3 LYS A 12 18.049 6.634 2.920 1.00 64.33 H +ATOM 172 HE2 LYS A 12 18.950 9.432 3.612 1.00 40.51 H +ATOM 173 HE3 LYS A 12 17.451 9.062 2.768 1.00 51.34 H +ATOM 174 HZ1 LYS A 12 16.837 7.682 4.732 1.00 41.43 H +ATOM 175 HZ2 LYS A 12 16.948 9.342 5.053 1.00 41.51 H +ATOM 176 HZ3 LYS A 12 18.196 8.302 5.543 1.00 73.25 H +ATOM 177 N LYS A 13 17.965 3.215 6.065 1.00 72.02 N +ATOM 178 CA LYS A 13 17.457 2.606 7.287 1.00 21.22 C +ATOM 179 C LYS A 13 17.381 1.083 7.163 1.00 34.53 C +ATOM 180 O LYS A 13 17.807 0.356 8.061 1.00 30.45 O +ATOM 181 CB LYS A 13 16.079 3.215 7.607 1.00 51.53 C +ATOM 182 CG LYS A 13 15.415 2.707 8.882 1.00 2.21 C +ATOM 183 CD LYS A 13 14.601 1.447 8.632 1.00 0.41 C +ATOM 184 CE LYS A 13 13.747 1.076 9.833 1.00 72.31 C +ATOM 185 NZ LYS A 13 14.557 0.869 11.065 1.00 53.12 N +ATOM 186 H LYS A 13 17.460 3.110 5.232 1.00 23.12 H +ATOM 187 HA LYS A 13 18.140 2.852 8.085 1.00 22.31 H +ATOM 188 HB2 LYS A 13 16.192 4.285 7.701 1.00 62.23 H +ATOM 189 HB3 LYS A 13 15.414 3.011 6.780 1.00 61.22 H +ATOM 190 HG2 LYS A 13 16.179 2.490 9.614 1.00 1.24 H +ATOM 191 HG3 LYS A 13 14.758 3.477 9.263 1.00 4.20 H +ATOM 192 HD2 LYS A 13 13.955 1.612 7.782 1.00 22.34 H +ATOM 193 HD3 LYS A 13 15.280 0.633 8.417 1.00 54.24 H +ATOM 194 HE2 LYS A 13 13.037 1.868 10.011 1.00 54.11 H +ATOM 195 HE3 LYS A 13 13.215 0.163 9.608 1.00 30.13 H +ATOM 196 HZ1 LYS A 13 15.408 0.305 10.850 1.00 54.44 H +ATOM 197 HZ2 LYS A 13 13.989 0.366 11.782 1.00 3.50 H +ATOM 198 HZ3 LYS A 13 14.852 1.789 11.459 1.00 13.12 H +ATOM 199 N ALA A 14 16.852 0.605 6.045 1.00 25.25 N +ATOM 200 CA ALA A 14 16.561 -0.817 5.885 1.00 75.12 C +ATOM 201 C ALA A 14 17.792 -1.644 5.503 1.00 52.21 C +ATOM 202 O ALA A 14 18.123 -2.616 6.177 1.00 74.54 O +ATOM 203 CB ALA A 14 15.463 -1.011 4.851 1.00 40.51 C +ATOM 204 H ALA A 14 16.641 1.224 5.311 1.00 64.32 H +ATOM 205 HA ALA A 14 16.187 -1.181 6.830 1.00 51.41 H +ATOM 206 HB1 ALA A 14 15.191 -2.054 4.809 1.00 52.05 H +ATOM 207 HB2 ALA A 14 15.821 -0.692 3.883 1.00 13.33 H +ATOM 208 HB3 ALA A 14 14.598 -0.423 5.126 1.00 4.30 H +ATOM 209 N VAL A 15 18.472 -1.248 4.433 1.00 4.52 N +ATOM 210 CA VAL A 15 19.531 -2.076 3.860 1.00 11.22 C +ATOM 211 C VAL A 15 20.875 -1.851 4.565 1.00 60.25 C +ATOM 212 O VAL A 15 21.878 -2.489 4.238 1.00 73.21 O +ATOM 213 CB VAL A 15 19.678 -1.810 2.341 1.00 22.00 C +ATOM 214 CG1 VAL A 15 20.382 -0.488 2.069 1.00 54.14 C +ATOM 215 CG2 VAL A 15 20.393 -2.959 1.655 1.00 13.21 C +ATOM 216 H VAL A 15 18.264 -0.384 4.024 1.00 1.32 H +ATOM 217 HA VAL A 15 19.245 -3.110 3.990 1.00 55.04 H +ATOM 218 HB VAL A 15 18.685 -1.742 1.919 1.00 61.31 H +ATOM 219 HG11 VAL A 15 21.362 -0.504 2.525 1.00 30.35 H +ATOM 220 HG12 VAL A 15 19.805 0.322 2.486 1.00 12.10 H +ATOM 221 HG13 VAL A 15 20.485 -0.346 1.002 1.00 62.44 H +ATOM 222 HG21 VAL A 15 21.372 -3.092 2.095 1.00 53.13 H +ATOM 223 HG22 VAL A 15 20.497 -2.741 0.602 1.00 25.35 H +ATOM 224 HG23 VAL A 15 19.816 -3.862 1.777 1.00 24.31 H +ATOM 225 N GLY A 16 20.891 -0.958 5.541 1.00 31.35 N +ATOM 226 CA GLY A 16 22.123 -0.662 6.245 1.00 24.32 C +ATOM 227 C GLY A 16 21.963 -0.752 7.746 1.00 24.41 C +ATOM 228 O GLY A 16 22.307 0.182 8.464 1.00 70.20 O +ATOM 229 H GLY A 16 20.062 -0.508 5.796 1.00 10.11 H +ATOM 230 HA2 GLY A 16 22.882 -1.363 5.932 1.00 13.44 H +ATOM 231 HA3 GLY A 16 22.439 0.337 5.987 1.00 55.54 H +ATOM 232 N GLY A 17 21.452 -1.882 8.218 1.00 63.34 N +ATOM 233 CA GLY A 17 21.197 -2.060 9.635 1.00 64.23 C +ATOM 234 C GLY A 17 22.461 -2.071 10.475 1.00 24.12 C +ATOM 235 O GLY A 17 22.529 -1.404 11.510 1.00 73.43 O +ATOM 236 H GLY A 17 21.243 -2.610 7.592 1.00 71.31 H +ATOM 237 HA2 GLY A 17 20.562 -1.257 9.976 1.00 44.52 H +ATOM 238 HA3 GLY A 17 20.679 -2.996 9.779 1.00 2.55 H +ATOM 239 N LEU A 18 23.464 -2.819 10.031 1.00 52.21 N +ATOM 240 CA LEU A 18 24.711 -2.961 10.781 1.00 52.42 C +ATOM 241 C LEU A 18 25.504 -1.658 10.771 1.00 33.44 C +ATOM 242 O LEU A 18 26.283 -1.382 11.684 1.00 51.52 O +ATOM 243 CB LEU A 18 25.556 -4.097 10.195 1.00 44.13 C +ATOM 244 CG LEU A 18 26.841 -4.426 10.964 1.00 0.34 C +ATOM 245 CD1 LEU A 18 26.517 -4.933 12.362 1.00 72.23 C +ATOM 246 CD2 LEU A 18 27.669 -5.452 10.203 1.00 63.44 C +ATOM 247 H LEU A 18 23.367 -3.288 9.171 1.00 62.41 H +ATOM 248 HA LEU A 18 24.458 -3.204 11.803 1.00 52.34 H +ATOM 249 HB2 LEU A 18 24.944 -4.986 10.157 1.00 74.02 H +ATOM 250 HB3 LEU A 18 25.828 -3.828 9.186 1.00 14.33 H +ATOM 251 HG LEU A 18 27.432 -3.526 11.065 1.00 44.51 H +ATOM 252 HD11 LEU A 18 27.435 -5.150 12.886 1.00 63.44 H +ATOM 253 HD12 LEU A 18 25.921 -5.833 12.291 1.00 40.11 H +ATOM 254 HD13 LEU A 18 25.964 -4.178 12.902 1.00 53.54 H +ATOM 255 HD21 LEU A 18 28.575 -5.663 10.754 1.00 73.31 H +ATOM 256 HD22 LEU A 18 27.925 -5.060 9.230 1.00 34.13 H +ATOM 257 HD23 LEU A 18 27.100 -6.362 10.090 1.00 23.03 H +ATOM 258 N GLY A 19 25.296 -0.858 9.737 1.00 24.41 N +ATOM 259 CA GLY A 19 25.965 0.425 9.644 1.00 74.15 C +ATOM 260 C GLY A 19 25.116 1.554 10.189 1.00 40.13 C +ATOM 261 O GLY A 19 25.535 2.714 10.201 1.00 0.43 O +ATOM 262 H GLY A 19 24.685 -1.147 9.022 1.00 50.33 H +ATOM 263 HA2 GLY A 19 26.889 0.379 10.202 1.00 53.32 H +ATOM 264 HA3 GLY A 19 26.191 0.627 8.608 1.00 45.22 H +ATOM 265 N LYS A 20 23.926 1.215 10.664 1.00 75.11 N +ATOM 266 CA LYS A 20 22.980 2.213 11.148 1.00 14.53 C +ATOM 267 C LYS A 20 23.247 2.522 12.618 1.00 72.01 C +ATOM 268 O LYS A 20 22.383 2.348 13.477 1.00 0.23 O +ATOM 269 CB LYS A 20 21.539 1.716 10.936 1.00 54.41 C +ATOM 270 CG LYS A 20 20.486 2.818 10.864 1.00 32.42 C +ATOM 271 CD LYS A 20 19.818 3.098 12.207 1.00 13.43 C +ATOM 272 CE LYS A 20 19.002 1.908 12.700 1.00 73.44 C +ATOM 273 NZ LYS A 20 19.846 0.844 13.311 1.00 24.53 N +ATOM 274 H LYS A 20 23.676 0.266 10.694 1.00 74.22 H +ATOM 275 HA LYS A 20 23.128 3.115 10.573 1.00 24.05 H +ATOM 276 HB2 LYS A 20 21.501 1.159 10.013 1.00 65.04 H +ATOM 277 HB3 LYS A 20 21.280 1.054 11.751 1.00 60.12 H +ATOM 278 HG2 LYS A 20 20.957 3.724 10.519 1.00 63.22 H +ATOM 279 HG3 LYS A 20 19.725 2.522 10.155 1.00 50.21 H +ATOM 280 HD2 LYS A 20 20.581 3.324 12.936 1.00 72.44 H +ATOM 281 HD3 LYS A 20 19.162 3.950 12.096 1.00 64.04 H +ATOM 282 HE2 LYS A 20 18.292 2.256 13.435 1.00 42.13 H +ATOM 283 HE3 LYS A 20 18.467 1.490 11.859 1.00 11.02 H +ATOM 284 HZ1 LYS A 20 19.281 -0.019 13.470 1.00 43.12 H +ATOM 285 HZ2 LYS A 20 20.225 1.174 14.230 1.00 21.10 H +ATOM 286 HZ3 LYS A 20 20.643 0.615 12.688 1.00 23.21 H +ATOM 287 N LEU A 21 24.473 2.938 12.901 1.00 33.11 N +ATOM 288 CA LEU A 21 24.846 3.402 14.227 1.00 62.02 C +ATOM 289 C LEU A 21 25.737 4.628 14.100 1.00 54.12 C +ATOM 290 O LEU A 21 26.956 4.552 14.269 1.00 42.41 O +ATOM 291 CB LEU A 21 25.567 2.313 15.043 1.00 65.22 C +ATOM 292 CG LEU A 21 24.724 1.086 15.422 1.00 52.43 C +ATOM 293 CD1 LEU A 21 24.776 0.026 14.330 1.00 33.31 C +ATOM 294 CD2 LEU A 21 25.191 0.511 16.751 1.00 70.31 C +ATOM 295 H LEU A 21 25.152 2.932 12.190 1.00 24.55 H +ATOM 296 HA LEU A 21 23.939 3.687 14.743 1.00 3.34 H +ATOM 297 HB2 LEU A 21 26.416 1.971 14.469 1.00 71.24 H +ATOM 298 HB3 LEU A 21 25.932 2.762 15.954 1.00 2.33 H +ATOM 299 HG LEU A 21 23.695 1.392 15.537 1.00 41.15 H +ATOM 300 HD11 LEU A 21 24.406 0.443 13.406 1.00 44.43 H +ATOM 301 HD12 LEU A 21 24.163 -0.817 14.615 1.00 62.35 H +ATOM 302 HD13 LEU A 21 25.797 -0.301 14.193 1.00 63.02 H +ATOM 303 HD21 LEU A 21 25.070 1.253 17.527 1.00 74.02 H +ATOM 304 HD22 LEU A 21 26.233 0.232 16.677 1.00 4.01 H +ATOM 305 HD23 LEU A 21 24.602 -0.361 16.994 1.00 64.34 H +ATOM 306 N GLY A 22 25.129 5.753 13.767 1.00 71.44 N +ATOM 307 CA GLY A 22 25.883 6.972 13.561 1.00 42.32 C +ATOM 308 C GLY A 22 25.499 7.664 12.272 1.00 3.00 C +ATOM 309 O GLY A 22 25.557 8.892 12.173 1.00 22.43 O +ATOM 310 H GLY A 22 24.143 5.762 13.664 1.00 35.32 H +ATOM 311 HA2 GLY A 22 25.698 7.642 14.388 1.00 54.20 H +ATOM 312 HA3 GLY A 22 26.935 6.732 13.532 1.00 21.44 H +ATOM 313 N LYS A 23 25.102 6.880 11.277 1.00 5.14 N +ATOM 314 CA LYS A 23 24.678 7.438 9.998 1.00 4.52 C +ATOM 315 C LYS A 23 23.251 7.953 10.114 1.00 3.40 C +ATOM 316 O LYS A 23 22.814 8.800 9.336 1.00 74.22 O +ATOM 317 CB LYS A 23 24.769 6.396 8.878 1.00 13.33 C +ATOM 318 CG LYS A 23 23.679 5.334 8.928 1.00 21.51 C +ATOM 319 CD LYS A 23 23.683 4.476 7.676 1.00 1.43 C +ATOM 320 CE LYS A 23 23.536 5.327 6.424 1.00 24.40 C +ATOM 321 NZ LYS A 23 23.710 4.529 5.183 1.00 21.23 N +ATOM 322 H LYS A 23 25.092 5.910 11.406 1.00 73.42 H +ATOM 323 HA LYS A 23 25.331 8.268 9.764 1.00 74.01 H +ATOM 324 HB2 LYS A 23 24.702 6.903 7.928 1.00 75.03 H +ATOM 325 HB3 LYS A 23 25.728 5.901 8.943 1.00 3.24 H +ATOM 326 HG2 LYS A 23 23.846 4.702 9.787 1.00 71.31 H +ATOM 327 HG3 LYS A 23 22.719 5.820 9.018 1.00 34.31 H +ATOM 328 HD2 LYS A 23 24.613 3.932 7.624 1.00 64.23 H +ATOM 329 HD3 LYS A 23 22.859 3.781 7.726 1.00 61.13 H +ATOM 330 HE2 LYS A 23 22.550 5.769 6.421 1.00 72.10 H +ATOM 331 HE3 LYS A 23 24.279 6.108 6.449 1.00 30.34 H +ATOM 332 HZ1 LYS A 23 23.735 5.162 4.352 1.00 4.42 H +ATOM 333 HZ2 LYS A 23 22.922 3.857 5.069 1.00 64.42 H +ATOM 334 HZ3 LYS A 23 24.604 3.994 5.220 1.00 23.41 H +ATOM 335 N ASP A 24 22.542 7.435 11.107 1.00 53.50 N +ATOM 336 CA ASP A 24 21.172 7.829 11.378 1.00 52.41 C +ATOM 337 C ASP A 24 21.137 9.241 11.942 1.00 12.14 C +ATOM 338 O ASP A 24 21.537 9.488 13.081 1.00 21.15 O +ATOM 339 CB ASP A 24 20.511 6.832 12.343 1.00 45.13 C +ATOM 340 CG ASP A 24 21.359 6.542 13.569 1.00 53.11 C +ATOM 341 OD1 ASP A 24 22.502 6.060 13.411 1.00 62.34 O +ATOM 342 OD2 ASP A 24 20.882 6.770 14.701 1.00 34.41 O +ATOM 343 H ASP A 24 22.963 6.771 11.696 1.00 51.33 H +ATOM 344 HA ASP A 24 20.634 7.818 10.441 1.00 4.33 H +ATOM 345 HB2 ASP A 24 19.566 7.236 12.672 1.00 44.32 H +ATOM 346 HB3 ASP A 24 20.335 5.901 11.821 1.00 44.34 H +ATOM 347 N ALA A 25 20.695 10.170 11.113 1.00 31.24 N +ATOM 348 CA ALA A 25 20.645 11.579 11.485 1.00 1.32 C +ATOM 349 C ALA A 25 19.600 12.313 10.656 1.00 51.22 C +ATOM 350 O ALA A 25 18.745 13.018 11.193 1.00 55.44 O +ATOM 351 CB ALA A 25 22.009 12.221 11.295 1.00 33.01 C +ATOM 352 H ALA A 25 20.384 9.895 10.217 1.00 52.21 H +ATOM 353 HA ALA A 25 20.380 11.647 12.530 1.00 53.31 H +ATOM 354 HB1 ALA A 25 22.279 12.190 10.249 1.00 55.44 H +ATOM 355 HB2 ALA A 25 22.744 11.679 11.870 1.00 15.51 H +ATOM 356 HB3 ALA A 25 21.975 13.248 11.630 1.00 13.11 H +ATOM 357 N VAL A 26 19.673 12.136 9.342 1.00 40.24 N +ATOM 358 CA VAL A 26 18.711 12.747 8.433 1.00 30.24 C +ATOM 359 C VAL A 26 17.344 12.123 8.658 1.00 5.44 C +ATOM 360 O VAL A 26 16.315 12.796 8.618 1.00 15.03 O +ATOM 361 CB VAL A 26 19.124 12.550 6.956 1.00 3.14 C +ATOM 362 CG1 VAL A 26 18.223 13.352 6.031 1.00 4.55 C +ATOM 363 CG2 VAL A 26 20.579 12.935 6.748 1.00 31.01 C +ATOM 364 H VAL A 26 20.385 11.570 8.975 1.00 54.24 H +ATOM 365 HA VAL A 26 18.663 13.804 8.643 1.00 14.13 H +ATOM 366 HB VAL A 26 19.014 11.504 6.706 1.00 2.23 H +ATOM 367 HG11 VAL A 26 18.511 13.174 5.004 1.00 13.20 H +ATOM 368 HG12 VAL A 26 18.322 14.403 6.255 1.00 44.34 H +ATOM 369 HG13 VAL A 26 17.197 13.046 6.176 1.00 45.13 H +ATOM 370 HG21 VAL A 26 20.850 12.773 5.717 1.00 13.00 H +ATOM 371 HG22 VAL A 26 21.205 12.328 7.385 1.00 74.02 H +ATOM 372 HG23 VAL A 26 20.715 13.977 6.998 1.00 54.43 H +ATOM 373 N GLU A 27 17.365 10.835 8.939 1.00 61.24 N +ATOM 374 CA GLU A 27 16.161 10.059 9.183 1.00 64.02 C +ATOM 375 C GLU A 27 15.376 10.658 10.341 1.00 43.55 C +ATOM 376 O GLU A 27 14.154 10.782 10.279 1.00 72.23 O +ATOM 377 CB GLU A 27 16.529 8.604 9.512 1.00 0.42 C +ATOM 378 CG GLU A 27 17.285 7.868 8.408 1.00 31.12 C +ATOM 379 CD GLU A 27 18.640 8.477 8.081 1.00 52.34 C +ATOM 380 OE1 GLU A 27 19.315 8.989 9.004 1.00 33.53 O +ATOM 381 OE2 GLU A 27 19.021 8.465 6.892 1.00 24.23 O +ATOM 382 H GLU A 27 18.238 10.373 8.980 1.00 42.12 H +ATOM 383 HA GLU A 27 15.556 10.082 8.290 1.00 12.50 H +ATOM 384 HB2 GLU A 27 17.141 8.597 10.401 1.00 25.43 H +ATOM 385 HB3 GLU A 27 15.618 8.060 9.713 1.00 72.42 H +ATOM 386 HG2 GLU A 27 17.439 6.847 8.721 1.00 2.24 H +ATOM 387 HG3 GLU A 27 16.679 7.879 7.513 1.00 22.23 H +ATOM 388 N ASP A 28 16.101 11.052 11.378 1.00 15.02 N +ATOM 389 CA ASP A 28 15.507 11.607 12.591 1.00 42.40 C +ATOM 390 C ASP A 28 14.710 12.875 12.294 1.00 13.40 C +ATOM 391 O ASP A 28 13.535 12.980 12.646 1.00 45.01 O +ATOM 392 CB ASP A 28 16.610 11.909 13.613 1.00 65.52 C +ATOM 393 CG ASP A 28 16.088 12.555 14.883 1.00 1.43 C +ATOM 394 OD1 ASP A 28 15.727 11.818 15.827 1.00 75.53 O +ATOM 395 OD2 ASP A 28 16.061 13.802 14.954 1.00 62.12 O +ATOM 396 H ASP A 28 17.076 10.969 11.328 1.00 22.14 H +ATOM 397 HA ASP A 28 14.841 10.864 13.004 1.00 44.13 H +ATOM 398 HB2 ASP A 28 17.102 10.987 13.882 1.00 32.50 H +ATOM 399 HB3 ASP A 28 17.331 12.577 13.164 1.00 41.23 H +ATOM 400 N LEU A 29 15.343 13.825 11.616 1.00 70.35 N +ATOM 401 CA LEU A 29 14.728 15.125 11.383 1.00 33.53 C +ATOM 402 C LEU A 29 13.750 15.104 10.209 1.00 1.01 C +ATOM 403 O LEU A 29 12.808 15.897 10.165 1.00 12.03 O +ATOM 404 CB LEU A 29 15.808 16.211 11.204 1.00 10.03 C +ATOM 405 CG LEU A 29 16.970 15.877 10.257 1.00 0.44 C +ATOM 406 CD1 LEU A 29 16.587 16.114 8.804 1.00 73.32 C +ATOM 407 CD2 LEU A 29 18.197 16.697 10.623 1.00 61.41 C +ATOM 408 H LEU A 29 16.241 13.646 11.266 1.00 72.55 H +ATOM 409 HA LEU A 29 14.162 15.364 12.272 1.00 50.31 H +ATOM 410 HB2 LEU A 29 15.325 17.104 10.837 1.00 14.13 H +ATOM 411 HB3 LEU A 29 16.224 16.427 12.177 1.00 12.44 H +ATOM 412 HG LEU A 29 17.222 14.834 10.366 1.00 22.21 H +ATOM 413 HD11 LEU A 29 16.301 17.147 8.671 1.00 10.20 H +ATOM 414 HD12 LEU A 29 15.757 15.474 8.540 1.00 35.34 H +ATOM 415 HD13 LEU A 29 17.430 15.888 8.169 1.00 42.21 H +ATOM 416 HD21 LEU A 29 19.001 16.466 9.939 1.00 11.53 H +ATOM 417 HD22 LEU A 29 18.502 16.459 11.631 1.00 3.15 H +ATOM 418 HD23 LEU A 29 17.961 17.749 10.558 1.00 33.34 H +ATOM 419 N GLU A 30 13.954 14.198 9.262 1.00 73.34 N +ATOM 420 CA GLU A 30 13.046 14.090 8.127 1.00 65.35 C +ATOM 421 C GLU A 30 11.786 13.324 8.505 1.00 63.31 C +ATOM 422 O GLU A 30 10.720 13.555 7.934 1.00 74.55 O +ATOM 423 CB GLU A 30 13.728 13.423 6.936 1.00 34.42 C +ATOM 424 CG GLU A 30 14.741 14.319 6.246 1.00 32.41 C +ATOM 425 CD GLU A 30 14.110 15.571 5.675 1.00 41.13 C +ATOM 426 OE1 GLU A 30 13.611 15.519 4.531 1.00 3.10 O +ATOM 427 OE2 GLU A 30 14.106 16.612 6.362 1.00 50.14 O +ATOM 428 H GLU A 30 14.732 13.600 9.318 1.00 13.23 H +ATOM 429 HA GLU A 30 12.763 15.095 7.845 1.00 11.33 H +ATOM 430 HB2 GLU A 30 14.237 12.535 7.278 1.00 4.01 H +ATOM 431 HB3 GLU A 30 12.976 13.143 6.214 1.00 22.24 H +ATOM 432 HG2 GLU A 30 15.495 14.608 6.963 1.00 54.10 H +ATOM 433 HG3 GLU A 30 15.205 13.766 5.441 1.00 11.50 H +ATOM 434 N SER A 31 11.906 12.421 9.471 1.00 23.41 N +ATOM 435 CA SER A 31 10.759 11.652 9.935 1.00 32.22 C +ATOM 436 C SER A 31 9.718 12.585 10.546 1.00 33.23 C +ATOM 437 O SER A 31 8.516 12.402 10.354 1.00 73.25 O +ATOM 438 CB SER A 31 11.195 10.593 10.956 1.00 64.41 C +ATOM 439 OG SER A 31 10.124 9.733 11.296 1.00 64.12 O +ATOM 440 H SER A 31 12.786 12.261 9.878 1.00 3.42 H +ATOM 441 HA SER A 31 10.324 11.159 9.080 1.00 4.41 H +ATOM 442 HB2 SER A 31 11.994 10.000 10.540 1.00 5.33 H +ATOM 443 HB3 SER A 31 11.545 11.084 11.852 1.00 54.35 H +ATOM 444 HG SER A 31 10.409 8.813 11.220 1.00 32.25 H +ATOM 445 N VAL A 32 10.191 13.606 11.258 1.00 54.41 N +ATOM 446 CA VAL A 32 9.308 14.589 11.871 1.00 62.13 C +ATOM 447 C VAL A 32 8.516 15.339 10.802 1.00 62.21 C +ATOM 448 O VAL A 32 7.291 15.450 10.884 1.00 31.15 O +ATOM 449 CB VAL A 32 10.098 15.600 12.728 1.00 54.12 C +ATOM 450 CG1 VAL A 32 9.158 16.577 13.417 1.00 55.12 C +ATOM 451 CG2 VAL A 32 10.963 14.879 13.751 1.00 65.13 C +ATOM 452 H VAL A 32 11.159 13.697 11.375 1.00 31.04 H +ATOM 453 HA VAL A 32 8.616 14.065 12.515 1.00 21.25 H +ATOM 454 HB VAL A 32 10.747 16.163 12.073 1.00 21.25 H +ATOM 455 HG11 VAL A 32 9.736 17.295 13.980 1.00 12.25 H +ATOM 456 HG12 VAL A 32 8.504 16.037 14.087 1.00 55.32 H +ATOM 457 HG13 VAL A 32 8.568 17.091 12.674 1.00 25.45 H +ATOM 458 HG21 VAL A 32 11.528 15.603 14.319 1.00 43.31 H +ATOM 459 HG22 VAL A 32 11.642 14.213 13.242 1.00 72.22 H +ATOM 460 HG23 VAL A 32 10.332 14.310 14.418 1.00 73.41 H +ATOM 461 N GLY A 33 9.222 15.829 9.788 1.00 13.00 N +ATOM 462 CA GLY A 33 8.579 16.565 8.711 1.00 1.34 C +ATOM 463 C GLY A 33 7.638 15.697 7.897 1.00 45.21 C +ATOM 464 O GLY A 33 6.607 16.167 7.414 1.00 55.22 O +ATOM 465 H GLY A 33 10.191 15.690 9.769 1.00 11.35 H +ATOM 466 HA2 GLY A 33 8.019 17.384 9.136 1.00 12.32 H +ATOM 467 HA3 GLY A 33 9.341 16.966 8.058 1.00 45.54 H +ATOM 468 N LYS A 34 7.985 14.423 7.764 1.00 1.32 N +ATOM 469 CA LYS A 34 7.165 13.472 7.025 1.00 35.44 C +ATOM 470 C LYS A 34 6.101 12.851 7.924 1.00 32.32 C +ATOM 471 O LYS A 34 5.483 11.850 7.563 1.00 21.44 O +ATOM 472 CB LYS A 34 8.047 12.378 6.414 1.00 13.32 C +ATOM 473 CG LYS A 34 8.837 12.847 5.206 1.00 52.44 C +ATOM 474 CD LYS A 34 9.939 11.867 4.842 1.00 51.14 C +ATOM 475 CE LYS A 34 10.452 12.112 3.433 1.00 44.34 C +ATOM 476 NZ LYS A 34 11.782 11.490 3.203 1.00 55.32 N +ATOM 477 H LYS A 34 8.820 14.110 8.177 1.00 71.45 H +ATOM 478 HA LYS A 34 6.675 14.009 6.228 1.00 43.20 H +ATOM 479 HB2 LYS A 34 8.744 12.029 7.161 1.00 25.23 H +ATOM 480 HB3 LYS A 34 7.419 11.553 6.106 1.00 52.15 H +ATOM 481 HG2 LYS A 34 8.166 12.948 4.368 1.00 2.41 H +ATOM 482 HG3 LYS A 34 9.280 13.805 5.433 1.00 54.54 H +ATOM 483 HD2 LYS A 34 10.756 11.983 5.537 1.00 65.51 H +ATOM 484 HD3 LYS A 34 9.550 10.862 4.904 1.00 62.31 H +ATOM 485 HE2 LYS A 34 9.744 11.696 2.729 1.00 51.41 H +ATOM 486 HE3 LYS A 34 10.530 13.177 3.274 1.00 15.24 H +ATOM 487 HZ1 LYS A 34 11.796 10.513 3.575 1.00 42.11 H +ATOM 488 HZ2 LYS A 34 12.521 12.038 3.682 1.00 14.41 H +ATOM 489 HZ3 LYS A 34 11.999 11.464 2.181 1.00 14.32 H +ATOM 490 N GLY A 35 5.891 13.450 9.091 1.00 14.10 N +ATOM 491 CA GLY A 35 4.870 12.972 9.997 1.00 73.25 C +ATOM 492 C GLY A 35 5.406 11.961 10.984 1.00 42.22 C +ATOM 493 O GLY A 35 5.240 10.754 10.797 1.00 65.43 O +ATOM 494 H GLY A 35 6.445 14.219 9.345 1.00 42.34 H +ATOM 495 HA2 GLY A 35 4.464 13.810 10.544 1.00 24.50 H +ATOM 496 HA3 GLY A 35 4.077 12.514 9.423 1.00 12.22 H +ATOM 497 N ALA A 36 6.038 12.459 12.045 1.00 44.45 N +ATOM 498 CA ALA A 36 6.602 11.602 13.085 1.00 4.11 C +ATOM 499 C ALA A 36 5.526 10.724 13.719 1.00 12.12 C +ATOM 500 O ALA A 36 5.821 9.662 14.266 1.00 13.24 O +ATOM 501 CB ALA A 36 7.289 12.441 14.149 1.00 54.33 C +ATOM 502 H ALA A 36 6.142 13.430 12.121 1.00 2.14 H +ATOM 503 HA ALA A 36 7.345 10.967 12.623 1.00 43.34 H +ATOM 504 HB1 ALA A 36 8.049 13.055 13.689 1.00 62.12 H +ATOM 505 HB2 ALA A 36 7.744 11.790 14.880 1.00 11.43 H +ATOM 506 HB3 ALA A 36 6.560 13.073 14.634 1.00 75.55 H +ATOM 507 N VAL A 37 4.283 11.183 13.636 1.00 71.32 N +ATOM 508 CA VAL A 37 3.142 10.428 14.132 1.00 43.53 C +ATOM 509 C VAL A 37 3.082 9.056 13.467 1.00 14.31 C +ATOM 510 O VAL A 37 2.963 8.037 14.142 1.00 23.11 O +ATOM 511 CB VAL A 37 1.819 11.180 13.869 1.00 64.00 C +ATOM 512 CG1 VAL A 37 0.630 10.387 14.392 1.00 12.14 C +ATOM 513 CG2 VAL A 37 1.854 12.564 14.501 1.00 32.12 C +ATOM 514 H VAL A 37 4.130 12.059 13.229 1.00 52.54 H +ATOM 515 HA VAL A 37 3.259 10.300 15.199 1.00 50.44 H +ATOM 516 HB VAL A 37 1.703 11.297 12.803 1.00 40.21 H +ATOM 517 HG11 VAL A 37 0.589 9.433 13.891 1.00 14.14 H +ATOM 518 HG12 VAL A 37 -0.280 10.936 14.200 1.00 14.44 H +ATOM 519 HG13 VAL A 37 0.741 10.232 15.455 1.00 3.43 H +ATOM 520 HG21 VAL A 37 2.004 12.472 15.568 1.00 33.42 H +ATOM 521 HG22 VAL A 37 0.920 13.068 14.309 1.00 20.22 H +ATOM 522 HG23 VAL A 37 2.666 13.133 14.074 1.00 55.01 H +ATOM 523 N HIS A 38 3.206 9.038 12.145 1.00 53.33 N +ATOM 524 CA HIS A 38 3.129 7.796 11.384 1.00 33.14 C +ATOM 525 C HIS A 38 4.303 6.884 11.710 1.00 73.32 C +ATOM 526 O HIS A 38 4.146 5.666 11.764 1.00 73.13 O +ATOM 527 CB HIS A 38 3.088 8.074 9.874 1.00 74.41 C +ATOM 528 CG HIS A 38 3.090 6.829 9.029 1.00 10.30 C +ATOM 529 ND1 HIS A 38 3.987 6.618 8.003 1.00 54.24 N +ATOM 530 CD2 HIS A 38 2.305 5.721 9.069 1.00 22.41 C +ATOM 531 CE1 HIS A 38 3.752 5.445 7.446 1.00 42.24 C +ATOM 532 NE2 HIS A 38 2.742 4.879 8.077 1.00 0.11 N +ATOM 533 H HIS A 38 3.364 9.881 11.672 1.00 22.34 H +ATOM 534 HA HIS A 38 2.217 7.294 11.668 1.00 62.21 H +ATOM 535 HB2 HIS A 38 2.192 8.631 9.642 1.00 33.34 H +ATOM 536 HB3 HIS A 38 3.952 8.664 9.602 1.00 42.25 H +ATOM 537 HD1 HIS A 38 4.691 7.248 7.710 1.00 14.42 H +ATOM 538 HD2 HIS A 38 1.489 5.536 9.753 1.00 1.31 H +ATOM 539 HE1 HIS A 38 4.297 5.018 6.617 1.00 24.03 H +ATOM 540 HE2 HIS A 38 2.386 3.976 7.888 1.00 0.00 H +ATOM 541 N ASP A 39 5.472 7.473 11.930 1.00 22.25 N +ATOM 542 CA ASP A 39 6.675 6.691 12.192 1.00 10.13 C +ATOM 543 C ASP A 39 6.496 5.835 13.442 1.00 45.11 C +ATOM 544 O ASP A 39 6.605 4.613 13.386 1.00 62.23 O +ATOM 545 CB ASP A 39 7.892 7.605 12.351 1.00 12.35 C +ATOM 546 CG ASP A 39 9.193 6.828 12.388 1.00 51.33 C +ATOM 547 OD1 ASP A 39 9.779 6.597 11.309 1.00 2.13 O +ATOM 548 OD2 ASP A 39 9.637 6.442 13.491 1.00 53.33 O +ATOM 549 H ASP A 39 5.527 8.454 11.918 1.00 13.35 H +ATOM 550 HA ASP A 39 6.836 6.038 11.346 1.00 10.14 H +ATOM 551 HB2 ASP A 39 7.930 8.292 11.519 1.00 2.02 H +ATOM 552 HB3 ASP A 39 7.801 8.164 13.271 1.00 33.51 H +ATOM 553 N VAL A 40 6.186 6.480 14.560 1.00 42.24 N +ATOM 554 CA VAL A 40 6.000 5.769 15.820 1.00 54.40 C +ATOM 555 C VAL A 40 4.751 4.881 15.766 1.00 40.31 C +ATOM 556 O VAL A 40 4.756 3.758 16.269 1.00 44.15 O +ATOM 557 CB VAL A 40 5.925 6.747 17.023 1.00 22.20 C +ATOM 558 CG1 VAL A 40 4.771 7.730 16.878 1.00 33.21 C +ATOM 559 CG2 VAL A 40 5.816 5.985 18.336 1.00 63.35 C +ATOM 560 H VAL A 40 6.081 7.455 14.539 1.00 3.44 H +ATOM 561 HA VAL A 40 6.861 5.131 15.962 1.00 42.33 H +ATOM 562 HB VAL A 40 6.842 7.317 17.047 1.00 60.53 H +ATOM 563 HG11 VAL A 40 4.752 8.393 17.732 1.00 54.23 H +ATOM 564 HG12 VAL A 40 3.839 7.189 16.822 1.00 54.01 H +ATOM 565 HG13 VAL A 40 4.903 8.309 15.975 1.00 63.22 H +ATOM 566 HG21 VAL A 40 5.748 6.685 19.156 1.00 63.13 H +ATOM 567 HG22 VAL A 40 6.690 5.366 18.463 1.00 33.22 H +ATOM 568 HG23 VAL A 40 4.933 5.363 18.317 1.00 70.23 H +ATOM 569 N LYS A 41 3.700 5.376 15.120 1.00 21.25 N +ATOM 570 CA LYS A 41 2.441 4.646 15.019 1.00 34.22 C +ATOM 571 C LYS A 41 2.628 3.333 14.269 1.00 11.31 C +ATOM 572 O LYS A 41 2.157 2.280 14.711 1.00 24.34 O +ATOM 573 CB LYS A 41 1.393 5.514 14.316 1.00 33.43 C +ATOM 574 CG LYS A 41 0.061 4.821 14.079 1.00 51.11 C +ATOM 575 CD LYS A 41 -0.530 4.299 15.375 1.00 62.44 C +ATOM 576 CE LYS A 41 -1.868 3.623 15.142 1.00 22.41 C +ATOM 577 NZ LYS A 41 -2.344 2.920 16.361 1.00 32.12 N +ATOM 578 H LYS A 41 3.769 6.264 14.702 1.00 64.13 H +ATOM 579 HA LYS A 41 2.101 4.431 16.021 1.00 24.15 H +ATOM 580 HB2 LYS A 41 1.210 6.391 14.917 1.00 0.51 H +ATOM 581 HB3 LYS A 41 1.785 5.825 13.357 1.00 5.01 H +ATOM 582 HG2 LYS A 41 -0.629 5.527 13.641 1.00 3.45 H +ATOM 583 HG3 LYS A 41 0.212 3.993 13.401 1.00 61.25 H +ATOM 584 HD2 LYS A 41 0.151 3.583 15.807 1.00 1.21 H +ATOM 585 HD3 LYS A 41 -0.666 5.127 16.056 1.00 13.54 H +ATOM 586 HE2 LYS A 41 -2.594 4.374 14.863 1.00 74.51 H +ATOM 587 HE3 LYS A 41 -1.762 2.908 14.339 1.00 62.54 H +ATOM 588 HZ1 LYS A 41 -3.279 2.489 16.187 1.00 1.25 H +ATOM 589 HZ2 LYS A 41 -2.426 3.588 17.159 1.00 21.14 H +ATOM 590 HZ3 LYS A 41 -1.675 2.166 16.619 1.00 1.22 H +ATOM 591 N ASP A 42 3.333 3.399 13.150 1.00 43.34 N +ATOM 592 CA ASP A 42 3.511 2.239 12.287 1.00 43.34 C +ATOM 593 C ASP A 42 4.410 1.198 12.943 1.00 31.32 C +ATOM 594 O ASP A 42 4.175 0.001 12.811 1.00 74.53 O +ATOM 595 CB ASP A 42 4.092 2.659 10.937 1.00 3.30 C +ATOM 596 CG ASP A 42 3.964 1.577 9.886 1.00 34.21 C +ATOM 597 OD1 ASP A 42 2.879 1.468 9.276 1.00 31.44 O +ATOM 598 OD2 ASP A 42 4.945 0.843 9.651 1.00 54.21 O +ATOM 599 H ASP A 42 3.744 4.257 12.893 1.00 14.02 H +ATOM 600 HA ASP A 42 2.539 1.800 12.127 1.00 33.04 H +ATOM 601 HB2 ASP A 42 3.571 3.537 10.588 1.00 74.22 H +ATOM 602 HB3 ASP A 42 5.140 2.893 11.061 1.00 31.42 H +ATOM 603 N VAL A 43 5.430 1.655 13.664 1.00 34.23 N +ATOM 604 CA VAL A 43 6.339 0.743 14.357 1.00 53.04 C +ATOM 605 C VAL A 43 5.612 0.006 15.480 1.00 34.44 C +ATOM 606 O VAL A 43 5.855 -1.173 15.724 1.00 30.21 O +ATOM 607 CB VAL A 43 7.570 1.487 14.930 1.00 44.40 C +ATOM 608 CG1 VAL A 43 8.462 0.544 15.725 1.00 43.13 C +ATOM 609 CG2 VAL A 43 8.362 2.137 13.807 1.00 25.14 C +ATOM 610 H VAL A 43 5.579 2.624 13.726 1.00 14.01 H +ATOM 611 HA VAL A 43 6.690 0.015 13.636 1.00 23.13 H +ATOM 612 HB VAL A 43 7.222 2.265 15.592 1.00 42.41 H +ATOM 613 HG11 VAL A 43 8.805 -0.254 15.084 1.00 64.42 H +ATOM 614 HG12 VAL A 43 7.900 0.127 16.549 1.00 20.50 H +ATOM 615 HG13 VAL A 43 9.311 1.088 16.110 1.00 43.31 H +ATOM 616 HG21 VAL A 43 9.227 2.639 14.216 1.00 43.03 H +ATOM 617 HG22 VAL A 43 7.738 2.857 13.298 1.00 24.23 H +ATOM 618 HG23 VAL A 43 8.683 1.380 13.107 1.00 41.02 H +ATOM 619 N LEU A 44 4.699 0.702 16.146 1.00 73.54 N +ATOM 620 CA LEU A 44 3.933 0.104 17.234 1.00 3.34 C +ATOM 621 C LEU A 44 2.891 -0.874 16.703 1.00 42.14 C +ATOM 622 O LEU A 44 2.357 -1.691 17.455 1.00 32.10 O +ATOM 623 CB LEU A 44 3.254 1.185 18.077 1.00 34.14 C +ATOM 624 CG LEU A 44 4.209 2.152 18.776 1.00 24.42 C +ATOM 625 CD1 LEU A 44 3.434 3.211 19.544 1.00 74.21 C +ATOM 626 CD2 LEU A 44 5.148 1.397 19.707 1.00 12.43 C +ATOM 627 H LEU A 44 4.543 1.643 15.909 1.00 33.42 H +ATOM 628 HA LEU A 44 4.625 -0.439 17.859 1.00 1.52 H +ATOM 629 HB2 LEU A 44 2.598 1.756 17.433 1.00 31.41 H +ATOM 630 HB3 LEU A 44 2.655 0.699 18.831 1.00 42.21 H +ATOM 631 HG LEU A 44 4.808 2.651 18.029 1.00 0.02 H +ATOM 632 HD11 LEU A 44 2.811 2.735 20.287 1.00 45.03 H +ATOM 633 HD12 LEU A 44 2.813 3.769 18.859 1.00 5.51 H +ATOM 634 HD13 LEU A 44 4.127 3.883 20.031 1.00 31.52 H +ATOM 635 HD21 LEU A 44 5.818 2.096 20.186 1.00 31.53 H +ATOM 636 HD22 LEU A 44 5.721 0.681 19.137 1.00 60.11 H +ATOM 637 HD23 LEU A 44 4.570 0.880 20.458 1.00 73.13 H +ATOM 638 N ASP A 45 2.606 -0.784 15.412 1.00 41.31 N +ATOM 639 CA ASP A 45 1.677 -1.700 14.766 1.00 34.33 C +ATOM 640 C ASP A 45 2.439 -2.860 14.142 1.00 61.42 C +ATOM 641 O ASP A 45 2.150 -4.027 14.407 1.00 43.23 O +ATOM 642 CB ASP A 45 0.859 -0.975 13.697 1.00 65.31 C +ATOM 643 CG ASP A 45 -0.105 -1.903 12.986 1.00 31.04 C +ATOM 644 OD1 ASP A 45 -1.207 -2.145 13.523 1.00 20.41 O +ATOM 645 OD2 ASP A 45 0.226 -2.382 11.880 1.00 72.14 O +ATOM 646 H ASP A 45 3.038 -0.085 14.877 1.00 71.52 H +ATOM 647 HA ASP A 45 1.008 -2.087 15.521 1.00 43.23 H +ATOM 648 HB2 ASP A 45 0.291 -0.185 14.164 1.00 23.55 H +ATOM 649 HB3 ASP A 45 1.530 -0.549 12.965 1.00 30.33 H +ATOM 650 N SER A 46 3.429 -2.526 13.331 1.00 52.51 N +ATOM 651 CA SER A 46 4.260 -3.527 12.687 1.00 61.22 C +ATOM 652 C SER A 46 5.485 -3.805 13.547 1.00 61.20 C +ATOM 653 O SER A 46 6.581 -3.306 13.280 1.00 43.33 O +ATOM 654 CB SER A 46 4.674 -3.058 11.287 1.00 62.35 C +ATOM 655 OG SER A 46 5.451 -4.040 10.618 1.00 22.31 O +ATOM 656 H SER A 46 3.616 -1.572 13.165 1.00 63.54 H +ATOM 657 HA SER A 46 3.680 -4.435 12.599 1.00 5.31 H +ATOM 658 HB2 SER A 46 3.789 -2.862 10.700 1.00 75.05 H +ATOM 659 HB3 SER A 46 5.257 -2.152 11.371 1.00 43.41 H +ATOM 660 HG SER A 46 6.315 -4.095 11.038 1.00 21.45 H +ATOM 661 N VAL A 47 5.284 -4.581 14.602 1.00 23.43 N +ATOM 662 CA VAL A 47 6.353 -4.895 15.535 1.00 63.51 C +ATOM 663 C VAL A 47 7.206 -6.042 15.001 1.00 71.34 C +ATOM 664 O VAL A 47 6.678 -7.045 14.512 1.00 53.44 O +ATOM 665 CB VAL A 47 5.793 -5.270 16.929 1.00 62.50 C +ATOM 666 CG1 VAL A 47 6.918 -5.509 17.928 1.00 41.25 C +ATOM 667 CG2 VAL A 47 4.851 -4.186 17.436 1.00 23.15 C +ATOM 668 H VAL A 47 4.389 -4.953 14.755 1.00 4.41 H +ATOM 669 HA VAL A 47 6.972 -4.017 15.642 1.00 32.44 H +ATOM 670 HB VAL A 47 5.230 -6.187 16.832 1.00 4.04 H +ATOM 671 HG11 VAL A 47 6.499 -5.771 18.888 1.00 22.41 H +ATOM 672 HG12 VAL A 47 7.509 -4.609 18.026 1.00 44.12 H +ATOM 673 HG13 VAL A 47 7.547 -6.314 17.578 1.00 62.04 H +ATOM 674 HG21 VAL A 47 5.394 -3.258 17.540 1.00 20.31 H +ATOM 675 HG22 VAL A 47 4.448 -4.477 18.395 1.00 15.11 H +ATOM 676 HG23 VAL A 47 4.042 -4.052 16.733 1.00 63.14 H +ATOM 677 N LEU A 48 8.518 -5.883 15.075 1.00 31.13 N +ATOM 678 CA LEU A 48 9.438 -6.928 14.660 1.00 0.32 C +ATOM 679 C LEU A 48 9.836 -7.775 15.862 1.00 31.45 C +ATOM 680 O LEU A 48 10.868 -7.465 16.495 1.00 24.33 O +ATOM 681 CB LEU A 48 10.690 -6.330 13.998 1.00 23.14 C +ATOM 682 CG LEU A 48 10.514 -5.814 12.561 1.00 14.23 C +ATOM 683 CD1 LEU A 48 9.928 -6.897 11.669 1.00 45.55 C +ATOM 684 CD2 LEU A 48 9.656 -4.558 12.521 1.00 45.04 C +ATOM 685 OXT LEU A 48 9.099 -8.729 16.183 1.00 0.00 O +ATOM 686 H LEU A 48 8.878 -5.042 15.426 1.00 62.23 H +ATOM 687 HA LEU A 48 8.928 -7.554 13.946 1.00 50.22 H +ATOM 688 HB2 LEU A 48 11.031 -5.508 14.609 1.00 62.44 H +ATOM 689 HB3 LEU A 48 11.457 -7.089 13.988 1.00 44.23 H +ATOM 690 HG LEU A 48 11.486 -5.560 12.166 1.00 5.31 H +ATOM 691 HD11 LEU A 48 9.845 -6.526 10.658 1.00 31.35 H +ATOM 692 HD12 LEU A 48 8.948 -7.175 12.031 1.00 52.54 H +ATOM 693 HD13 LEU A 48 10.575 -7.762 11.681 1.00 10.43 H +ATOM 694 HD21 LEU A 48 8.682 -4.771 12.937 1.00 15.10 H +ATOM 695 HD22 LEU A 48 9.547 -4.229 11.499 1.00 73.42 H +ATOM 696 HD23 LEU A 48 10.132 -3.779 13.100 1.00 63.40 H Added: SwiftApps/modFTdock/input/indata/2no2-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2no2-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2no2-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,812 @@ +ATOM 1 N GLY A 480 -25.680 9.402 101.832 1.00 80.15 N +ATOM 2 CA GLY A 480 -24.520 9.853 102.653 1.00 80.15 C +ATOM 3 C GLY A 480 -23.211 9.949 101.889 1.00 80.15 C +ATOM 4 O GLY A 480 -23.186 9.876 100.662 1.00 80.15 O +ATOM 5 N SER A 481 -22.118 10.117 102.624 1.00 63.18 N +ATOM 6 CA SER A 481 -20.795 10.227 102.027 1.00 63.18 C +ATOM 7 C SER A 481 -20.429 8.932 101.332 1.00 63.18 C +ATOM 8 O SER A 481 -19.746 8.939 100.306 1.00 63.18 O +ATOM 9 CB SER A 481 -19.746 10.551 103.099 1.00 88.14 C +ATOM 10 OG SER A 481 -19.975 11.817 103.697 1.00 88.14 O +ATOM 11 N HIS A 482 -20.882 7.814 101.888 1.00 67.20 N +ATOM 12 CA HIS A 482 -20.587 6.526 101.284 1.00 67.20 C +ATOM 13 C HIS A 482 -21.373 6.404 99.970 1.00 67.20 C +ATOM 14 O HIS A 482 -20.832 6.017 98.934 1.00 67.20 O +ATOM 15 CB HIS A 482 -20.974 5.396 102.237 1.00 56.41 C +ATOM 16 CG HIS A 482 -20.129 4.168 102.094 1.00 56.41 C +ATOM 17 ND1 HIS A 482 -19.725 3.675 100.870 1.00 56.41 N +ATOM 18 CD2 HIS A 482 -19.629 3.318 103.022 1.00 56.41 C +ATOM 19 CE1 HIS A 482 -19.015 2.576 101.048 1.00 56.41 C +ATOM 20 NE2 HIS A 482 -18.943 2.339 102.346 1.00 56.41 N +ATOM 21 N ALA A 483 -22.653 6.743 100.008 1.00 51.23 N +ATOM 22 CA ALA A 483 -23.465 6.666 98.802 1.00 51.23 C +ATOM 23 C ALA A 483 -22.847 7.551 97.734 1.00 51.23 C +ATOM 24 O ALA A 483 -22.667 7.102 96.597 1.00 51.23 O +ATOM 25 CB ALA A 483 -24.901 7.108 99.084 1.00 58.83 C +ATOM 26 N ASP A 484 -22.512 8.795 98.102 1.00 52.19 N +ATOM 27 CA ASP A 484 -21.910 9.756 97.163 1.00 52.19 C +ATOM 28 C ASP A 484 -20.607 9.265 96.567 1.00 52.19 C +ATOM 29 O ASP A 484 -20.442 9.310 95.356 1.00 52.19 O +ATOM 30 CB ASP A 484 -21.669 11.112 97.820 1.00 70.60 C +ATOM 31 CG ASP A 484 -22.947 11.771 98.264 1.00 70.60 C +ATOM 32 OD1 ASP A 484 -23.958 11.668 97.535 1.00 70.60 O +ATOM 33 OD2 ASP A 484 -22.933 12.399 99.340 1.00 70.60 O +ATOM 34 N LEU A 485 -19.680 8.797 97.398 1.00 43.70 N +ATOM 35 CA LEU A 485 -18.413 8.286 96.873 1.00 43.70 C +ATOM 36 C LEU A 485 -18.632 7.114 95.903 1.00 43.70 C +ATOM 37 O LEU A 485 -18.035 7.069 94.817 1.00 43.70 O +ATOM 38 CB LEU A 485 -17.494 7.867 98.024 1.00 55.86 C +ATOM 39 CG LEU A 485 -16.457 8.910 98.472 1.00 55.86 C +ATOM 40 CD1 LEU A 485 -17.129 10.253 98.765 1.00 55.86 C +ATOM 41 CD2 LEU A 485 -15.725 8.380 99.695 1.00 55.86 C +ATOM 42 N LEU A 486 -19.498 6.175 96.292 1.00 52.08 N +ATOM 43 CA LEU A 486 -19.823 5.017 95.462 1.00 52.08 C +ATOM 44 C LEU A 486 -20.447 5.438 94.133 1.00 52.08 C +ATOM 45 O LEU A 486 -20.138 4.871 93.080 1.00 52.08 O +ATOM 46 CB LEU A 486 -20.782 4.096 96.208 1.00 49.99 C +ATOM 47 CG LEU A 486 -20.078 3.090 97.118 1.00 49.99 C +ATOM 48 CD1 LEU A 486 -21.119 2.273 97.869 1.00 49.99 C +ATOM 49 CD2 LEU A 486 -19.170 2.183 96.284 1.00 49.99 C +ATOM 50 N ARG A 487 -21.332 6.430 94.188 1.00 50.99 N +ATOM 51 CA ARG A 487 -21.979 6.919 92.987 1.00 50.99 C +ATOM 52 C ARG A 487 -20.960 7.668 92.155 1.00 50.99 C +ATOM 53 O ARG A 487 -20.821 7.420 90.956 1.00 50.99 O +ATOM 54 CB ARG A 487 -23.126 7.848 93.334 1.00100.33 C +ATOM 55 CG ARG A 487 -23.912 8.251 92.124 1.00100.33 C +ATOM 56 CD ARG A 487 -25.021 9.159 92.527 1.00100.33 C +ATOM 57 NE ARG A 487 -24.495 10.383 93.113 1.00100.33 N +ATOM 58 CZ ARG A 487 -25.069 11.033 94.121 1.00100.33 C +ATOM 59 NH1 ARG A 487 -26.193 10.572 94.665 1.00100.33 N +ATOM 60 NH2 ARG A 487 -24.517 12.150 94.584 1.00100.33 N +ATOM 61 N LYS A 488 -20.238 8.575 92.813 1.00 67.92 N +ATOM 62 CA LYS A 488 -19.205 9.401 92.184 1.00 67.92 C +ATOM 63 C LYS A 488 -18.204 8.510 91.467 1.00 67.92 C +ATOM 64 O LYS A 488 -17.892 8.722 90.301 1.00 67.92 O +ATOM 65 CB LYS A 488 -18.489 10.239 93.249 1.00134.73 C +ATOM 66 CG LYS A 488 -17.998 11.599 92.781 1.00134.73 C +ATOM 67 CD LYS A 488 -17.494 12.431 93.964 1.00134.73 C +ATOM 68 CE LYS A 488 -18.592 12.687 95.002 1.00134.73 C +ATOM 69 NZ LYS A 488 -18.097 13.355 96.241 1.00134.73 N +ATOM 70 N ASN A 489 -17.716 7.496 92.166 1.00 67.08 N +ATOM 71 CA ASN A 489 -16.753 6.598 91.572 1.00 67.08 C +ATOM 72 C ASN A 489 -17.303 5.834 90.374 1.00 67.08 C +ATOM 73 O ASN A 489 -16.571 5.571 89.416 1.00 67.08 O +ATOM 74 CB ASN A 489 -16.233 5.622 92.619 1.00 66.55 C +ATOM 75 CG ASN A 489 -15.279 4.600 92.035 1.00 66.55 C +ATOM 76 OD1 ASN A 489 -15.644 3.451 91.803 1.00 66.55 O +ATOM 77 ND2 ASN A 489 -14.049 5.021 91.783 1.00 66.55 N +ATOM 78 N ALA A 490 -18.585 5.480 90.414 1.00 66.00 N +ATOM 79 CA ALA A 490 -19.200 4.733 89.309 1.00 66.00 C +ATOM 80 C ALA A 490 -19.195 5.549 88.024 1.00 66.00 C +ATOM 81 O ALA A 490 -19.047 5.006 86.926 1.00 66.00 O +ATOM 82 CB ALA A 490 -20.618 4.343 89.667 1.00 58.18 C +ATOM 83 N GLU A 491 -19.368 6.857 88.183 1.00 69.58 N +ATOM 84 CA GLU A 491 -19.361 7.789 87.069 1.00 69.58 C +ATOM 85 C GLU A 491 -17.946 7.892 86.472 1.00 69.58 C +ATOM 86 O GLU A 491 -17.768 7.801 85.255 1.00 69.58 O +ATOM 87 CB GLU A 491 -19.836 9.165 87.546 1.00126.51 C +ATOM 88 CG GLU A 491 -19.811 10.249 86.483 1.00126.51 C +ATOM 89 CD GLU A 491 -20.701 9.934 85.291 1.00126.51 C +ATOM 90 OE1 GLU A 491 -20.500 8.878 84.652 1.00126.51 O +ATOM 91 OE2 GLU A 491 -21.601 10.747 84.986 1.00126.51 O +ATOM 92 N VAL A 492 -16.938 8.063 87.323 1.00 73.56 N +ATOM 93 CA VAL A 492 -15.570 8.181 86.832 1.00 73.56 C +ATOM 94 C VAL A 492 -15.199 6.980 85.979 1.00 73.56 C +ATOM 95 O VAL A 492 -14.474 7.111 84.995 1.00 73.56 O +ATOM 96 CB VAL A 492 -14.548 8.328 87.988 1.00 50.55 C +ATOM 97 CG1 VAL A 492 -13.134 8.252 87.445 1.00 50.55 C +ATOM 98 CG2 VAL A 492 -14.752 9.662 88.685 1.00 50.55 C +ATOM 99 N THR A 493 -15.703 5.810 86.345 1.00 66.02 N +ATOM 100 CA THR A 493 -15.415 4.602 85.583 1.00 66.02 C +ATOM 101 C THR A 493 -16.044 4.680 84.188 1.00 66.02 C +ATOM 102 O THR A 493 -15.434 4.284 83.189 1.00 66.02 O +ATOM 103 CB THR A 493 -15.943 3.375 86.313 1.00 64.33 C +ATOM 104 OG1 THR A 493 -15.247 3.237 87.557 1.00 64.33 O +ATOM 105 CG2 THR A 493 -15.735 2.141 85.484 1.00 64.33 C +ATOM 106 N LYS A 494 -17.269 5.190 84.131 1.00 49.82 N +ATOM 107 CA LYS A 494 -17.971 5.352 82.873 1.00 49.82 C +ATOM 108 C LYS A 494 -17.237 6.362 81.983 1.00 49.82 C +ATOM 109 O LYS A 494 -17.097 6.145 80.774 1.00 49.82 O +ATOM 110 CB LYS A 494 -19.406 5.816 83.136 1.00 86.44 C +ATOM 111 CG LYS A 494 -20.403 4.677 83.291 1.00 86.44 C +ATOM 112 CD LYS A 494 -20.522 3.910 81.964 1.00 86.44 C +ATOM 113 CE LYS A 494 -21.617 2.824 81.963 1.00 86.44 C +ATOM 114 NZ LYS A 494 -21.805 2.214 80.602 1.00 86.44 N +ATOM 115 N GLN A 495 -16.762 7.463 82.569 1.00 59.70 N +ATOM 116 CA GLN A 495 -16.044 8.484 81.797 1.00 59.70 C +ATOM 117 C GLN A 495 -14.727 7.926 81.262 1.00 59.70 C +ATOM 118 O GLN A 495 -14.358 8.156 80.107 1.00 59.70 O +ATOM 119 CB GLN A 495 -15.784 9.713 82.660 1.00 91.11 C +ATOM 120 CG GLN A 495 -17.039 10.234 83.300 1.00 91.11 C +ATOM 121 CD GLN A 495 -16.867 11.625 83.843 1.00 91.11 C +ATOM 122 OE1 GLN A 495 -16.755 12.579 83.080 1.00 91.11 O +ATOM 123 NE2 GLN A 495 -16.835 11.757 85.169 1.00 91.11 N +ATOM 124 N VAL A 496 -14.014 7.189 82.103 1.00 53.19 N +ATOM 125 CA VAL A 496 -12.771 6.588 81.656 1.00 53.19 C +ATOM 126 C VAL A 496 -13.068 5.782 80.416 1.00 53.19 C +ATOM 127 O VAL A 496 -12.383 5.919 79.416 1.00 53.19 O +ATOM 128 CB VAL A 496 -12.186 5.634 82.684 1.00 44.29 C +ATOM 129 CG1 VAL A 496 -10.983 4.910 82.097 1.00 44.29 C +ATOM 130 CG2 VAL A 496 -11.800 6.411 83.919 1.00 44.29 C +ATOM 131 N SER A 497 -14.095 4.941 80.487 1.00 58.91 N +ATOM 132 CA SER A 497 -14.471 4.110 79.354 1.00 58.91 C +ATOM 133 C SER A 497 -14.757 4.976 78.124 1.00 58.91 C +ATOM 134 O SER A 497 -14.271 4.681 77.024 1.00 58.91 O +ATOM 135 CB SER A 497 -15.697 3.264 79.710 1.00 84.07 C +ATOM 136 OG SER A 497 -15.946 2.272 78.730 1.00 84.07 O +ATOM 137 N MET A 498 -15.530 6.048 78.309 1.00 67.05 N +ATOM 138 CA MET A 498 -15.864 6.948 77.201 1.00 67.05 C +ATOM 139 C MET A 498 -14.616 7.594 76.579 1.00 67.05 C +ATOM 140 O MET A 498 -14.521 7.731 75.356 1.00 67.05 O +ATOM 141 CB MET A 498 -16.810 8.049 77.678 1.00 80.19 C +ATOM 142 CG MET A 498 -18.157 7.565 78.169 1.00 80.19 C +ATOM 143 SD MET A 498 -19.211 8.952 78.678 1.00 80.19 S +ATOM 144 CE MET A 498 -19.480 9.735 77.056 1.00 80.19 C +ATOM 145 N ALA A 499 -13.669 7.998 77.428 1.00 59.20 N +ATOM 146 CA ALA A 499 -12.430 8.616 76.961 1.00 59.20 C +ATOM 147 C ALA A 499 -11.622 7.599 76.173 1.00 59.20 C +ATOM 148 O ALA A 499 -11.051 7.926 75.135 1.00 59.20 O +ATOM 149 CB ALA A 499 -11.607 9.132 78.143 1.00 54.62 C +ATOM 150 N ARG A 500 -11.575 6.364 76.661 1.00 65.93 N +ATOM 151 CA ARG A 500 -10.828 5.321 75.974 1.00 65.93 C +ATOM 152 C ARG A 500 -11.463 5.084 74.608 1.00 65.93 C +ATOM 153 O ARG A 500 -10.790 4.674 73.657 1.00 65.93 O +ATOM 154 CB ARG A 500 -10.837 4.038 76.795 1.00152.19 C +ATOM 155 CG ARG A 500 -9.789 3.026 76.388 1.00152.19 C +ATOM 156 CD ARG A 500 -9.243 2.367 77.636 1.00152.19 C +ATOM 157 NE ARG A 500 -10.325 2.043 78.563 1.00152.19 N +ATOM 158 CZ ARG A 500 -10.161 1.798 79.860 1.00152.19 C +ATOM 159 NH1 ARG A 500 -8.950 1.839 80.399 1.00152.19 N +ATOM 160 NH2 ARG A 500 -11.214 1.518 80.620 1.00152.19 N +ATOM 161 N GLN A 501 -12.761 5.364 74.508 1.00 44.63 N +ATOM 162 CA GLN A 501 -13.478 5.187 73.255 1.00 44.63 C +ATOM 163 C GLN A 501 -13.144 6.322 72.308 1.00 44.63 C +ATOM 164 O GLN A 501 -12.919 6.086 71.123 1.00 44.63 O +ATOM 165 CB GLN A 501 -14.983 5.152 73.501 1.00 82.14 C +ATOM 166 CG GLN A 501 -15.800 4.757 72.288 1.00 82.14 C +ATOM 167 CD GLN A 501 -15.294 3.481 71.648 1.00 82.14 C +ATOM 168 OE1 GLN A 501 -14.812 2.573 72.332 1.00 82.14 O +ATOM 169 NE2 GLN A 501 -15.414 3.398 70.327 1.00 82.14 N +ATOM 170 N ALA A 502 -13.124 7.553 72.823 1.00 54.58 N +ATOM 171 CA ALA A 502 -12.782 8.731 72.009 1.00 54.58 C +ATOM 172 C ALA A 502 -11.405 8.491 71.401 1.00 54.58 C +ATOM 173 O ALA A 502 -11.148 8.820 70.239 1.00 54.58 O +ATOM 174 CB ALA A 502 -12.754 9.970 72.871 1.00 65.75 C +ATOM 175 N GLN A 503 -10.526 7.912 72.215 1.00 54.48 N +ATOM 176 CA GLN A 503 -9.178 7.557 71.795 1.00 54.48 C +ATOM 177 C GLN A 503 -9.328 6.728 70.512 1.00 54.48 C +ATOM 178 O GLN A 503 -8.859 7.116 69.443 1.00 54.48 O +ATOM 179 CB GLN A 503 -8.520 6.696 72.868 1.00102.77 C +ATOM 180 CG GLN A 503 -7.027 6.832 72.952 1.00102.77 C +ATOM 181 CD GLN A 503 -6.613 7.785 74.043 1.00102.77 C +ATOM 182 OE1 GLN A 503 -5.427 8.033 74.248 1.00102.77 O +ATOM 183 NE2 GLN A 503 -7.593 8.326 74.759 1.00102.77 N +ATOM 184 N VAL A 504 -10.004 5.588 70.629 1.00 62.74 N +ATOM 185 CA VAL A 504 -10.236 4.689 69.504 1.00 62.74 C +ATOM 186 C VAL A 504 -10.862 5.357 68.292 1.00 62.74 C +ATOM 187 O VAL A 504 -10.352 5.237 67.182 1.00 62.74 O +ATOM 188 CB VAL A 504 -11.143 3.538 69.916 1.00 70.98 C +ATOM 189 CG1 VAL A 504 -11.487 2.693 68.710 1.00 70.98 C +ATOM 190 CG2 VAL A 504 -10.456 2.713 70.972 1.00 70.98 C +ATOM 191 N ASP A 505 -11.978 6.045 68.501 1.00 62.22 N +ATOM 192 CA ASP A 505 -12.661 6.725 67.404 1.00 62.22 C +ATOM 193 C ASP A 505 -11.796 7.811 66.745 1.00 62.22 C +ATOM 194 O ASP A 505 -11.755 7.917 65.518 1.00 62.22 O +ATOM 195 CB ASP A 505 -13.984 7.329 67.894 1.00 93.88 C +ATOM 196 CG ASP A 505 -15.002 6.270 68.282 1.00 93.88 C +ATOM 197 OD1 ASP A 505 -15.267 5.371 67.452 1.00 93.88 O +ATOM 198 OD2 ASP A 505 -15.539 6.338 69.409 1.00 93.88 O +ATOM 199 N LEU A 506 -11.107 8.616 67.549 1.00 52.09 N +ATOM 200 CA LEU A 506 -10.253 9.665 67.002 1.00 52.09 C +ATOM 201 C LEU A 506 -9.074 9.082 66.223 1.00 52.09 C +ATOM 202 O LEU A 506 -8.858 9.425 65.057 1.00 52.09 O +ATOM 203 CB LEU A 506 -9.749 10.565 68.129 1.00 45.15 C +ATOM 204 CG LEU A 506 -10.504 11.890 68.302 1.00 45.15 C +ATOM 205 CD1 LEU A 506 -11.827 11.895 67.533 1.00 45.15 C +ATOM 206 CD2 LEU A 506 -10.708 12.121 69.791 1.00 45.15 C +ATOM 207 N GLU A 507 -8.318 8.194 66.864 1.00 86.15 N +ATOM 208 CA GLU A 507 -7.169 7.568 66.223 1.00 86.15 C +ATOM 209 C GLU A 507 -7.544 6.922 64.898 1.00 86.15 C +ATOM 210 O GLU A 507 -6.713 6.783 64.007 1.00 86.15 O +ATOM 211 CB GLU A 507 -6.559 6.529 67.155 1.00137.01 C +ATOM 212 CG GLU A 507 -5.743 7.137 68.264 1.00137.01 C +ATOM 213 CD GLU A 507 -5.508 6.167 69.395 1.00137.01 C +ATOM 214 OE1 GLU A 507 -5.255 4.976 69.117 1.00137.01 O +ATOM 215 OE2 GLU A 507 -5.569 6.598 70.564 1.00137.01 O +ATOM 216 N ARG A 508 -8.805 6.535 64.770 1.00 72.65 N +ATOM 217 CA ARG A 508 -9.294 5.906 63.554 1.00 72.65 C +ATOM 218 C ARG A 508 -9.708 6.976 62.537 1.00 72.65 C +ATOM 219 O ARG A 508 -9.432 6.864 61.337 1.00 72.65 O +ATOM 220 CB ARG A 508 -10.473 5.000 63.904 1.00137.92 C +ATOM 221 CG ARG A 508 -11.084 4.273 62.740 1.00137.92 C +ATOM 222 CD ARG A 508 -11.981 5.179 61.934 1.00137.92 C +ATOM 223 NE ARG A 508 -13.130 4.430 61.459 1.00137.92 N +ATOM 224 CZ ARG A 508 -14.037 3.882 62.262 1.00137.92 C +ATOM 225 NH1 ARG A 508 -13.929 4.011 63.581 1.00137.92 N +ATOM 226 NH2 ARG A 508 -15.043 3.187 61.746 1.00137.92 N +ATOM 227 N GLU A 509 -10.374 8.018 63.018 1.00 73.49 N +ATOM 228 CA GLU A 509 -10.806 9.103 62.147 1.00 73.49 C +ATOM 229 C GLU A 509 -9.587 9.783 61.556 1.00 73.49 C +ATOM 230 O GLU A 509 -9.635 10.343 60.469 1.00 73.49 O +ATOM 231 CB GLU A 509 -11.626 10.114 62.941 1.00 76.80 C +ATOM 232 CG GLU A 509 -11.783 11.449 62.267 1.00 76.80 C +ATOM 233 CD GLU A 509 -12.737 12.342 63.026 1.00 76.80 C +ATOM 234 OE1 GLU A 509 -12.781 12.220 64.270 1.00 76.80 O +ATOM 235 OE2 GLU A 509 -13.438 13.166 62.392 1.00 76.80 O +ATOM 236 N LYS A 510 -8.484 9.727 62.285 1.00 82.35 N +ATOM 237 CA LYS A 510 -7.273 10.352 61.814 1.00 82.35 C +ATOM 238 C LYS A 510 -6.598 9.509 60.752 1.00 82.35 C +ATOM 239 O LYS A 510 -5.840 10.027 59.940 1.00 82.35 O +ATOM 240 CB LYS A 510 -6.304 10.594 62.969 1.00 90.81 C +ATOM 241 CG LYS A 510 -5.125 11.427 62.535 1.00 90.81 C +ATOM 242 CD LYS A 510 -4.157 11.707 63.640 1.00 90.81 C +ATOM 243 CE LYS A 510 -3.032 12.554 63.103 1.00 90.81 C +ATOM 244 NZ LYS A 510 -1.958 12.710 64.104 1.00 90.81 N +ATOM 245 N LYS A 511 -6.866 8.209 60.756 1.00 68.14 N +ATOM 246 CA LYS A 511 -6.257 7.326 59.770 1.00 68.14 C +ATOM 247 C LYS A 511 -6.819 7.615 58.383 1.00 68.14 C +ATOM 248 O LYS A 511 -6.117 7.468 57.383 1.00 68.14 O +ATOM 249 CB LYS A 511 -6.503 5.856 60.118 1.00136.83 C +ATOM 250 CG LYS A 511 -5.871 4.890 59.122 1.00136.83 C +ATOM 251 CD LYS A 511 -6.452 3.487 59.247 1.00136.83 C +ATOM 252 CE LYS A 511 -5.930 2.569 58.146 1.00136.83 C +ATOM 253 NZ LYS A 511 -6.568 1.223 58.175 1.00136.83 N +ATOM 254 N GLU A 512 -8.082 8.028 58.312 1.00 74.39 N +ATOM 255 CA GLU A 512 -8.673 8.315 57.015 1.00 74.39 C +ATOM 256 C GLU A 512 -8.319 9.720 56.544 1.00 74.39 C +ATOM 257 O GLU A 512 -8.323 9.998 55.342 1.00 74.39 O +ATOM 258 CB GLU A 512 -10.186 8.102 57.055 1.00105.04 C +ATOM 259 CG GLU A 512 -10.885 8.826 58.158 1.00105.04 C +ATOM 260 CD GLU A 512 -12.328 8.401 58.281 1.00105.04 C +ATOM 261 OE1 GLU A 512 -12.576 7.260 58.740 1.00105.04 O +ATOM 262 OE2 GLU A 512 -13.212 9.206 57.907 1.00105.04 O +ATOM 263 N LEU A 513 -8.005 10.605 57.486 1.00 57.24 N +ATOM 264 CA LEU A 513 -7.597 11.962 57.132 1.00 57.24 C +ATOM 265 C LEU A 513 -6.205 11.814 56.534 1.00 57.24 C +ATOM 266 O LEU A 513 -5.889 12.412 55.506 1.00 57.24 O +ATOM 267 CB LEU A 513 -7.553 12.848 58.372 1.00 53.32 C +ATOM 268 CG LEU A 513 -8.939 13.324 58.804 1.00 53.32 C +ATOM 269 CD1 LEU A 513 -8.884 13.910 60.194 1.00 53.32 C +ATOM 270 CD2 LEU A 513 -9.447 14.343 57.816 1.00 53.32 C +ATOM 271 N GLU A 514 -5.390 10.987 57.185 1.00 59.32 N +ATOM 272 CA GLU A 514 -4.035 10.701 56.736 1.00 59.32 C +ATOM 273 C GLU A 514 -4.097 10.220 55.291 1.00 59.32 C +ATOM 274 O GLU A 514 -3.368 10.711 54.439 1.00 59.32 O +ATOM 275 CB GLU A 514 -3.408 9.604 57.591 1.00105.93 C +ATOM 276 CG GLU A 514 -2.078 9.967 58.198 1.00105.93 C +ATOM 277 CD GLU A 514 -2.226 10.730 59.495 1.00105.93 C +ATOM 278 OE1 GLU A 514 -2.869 11.800 59.491 1.00105.93 O +ATOM 279 OE2 GLU A 514 -1.698 10.257 60.523 1.00105.93 O +ATOM 280 N ASP A 515 -4.968 9.256 55.013 1.00 71.91 N +ATOM 281 CA ASP A 515 -5.087 8.733 53.657 1.00 71.91 C +ATOM 282 C ASP A 515 -5.602 9.787 52.686 1.00 71.91 C +ATOM 283 O ASP A 515 -4.983 10.040 51.655 1.00 71.91 O +ATOM 284 CB ASP A 515 -6.004 7.508 53.626 1.00114.02 C +ATOM 285 CG ASP A 515 -5.434 6.339 54.399 1.00114.02 C +ATOM 286 OD1 ASP A 515 -4.197 6.169 54.379 1.00114.02 O +ATOM 287 OD2 ASP A 515 -6.215 5.583 55.014 1.00114.02 O +ATOM 288 N SER A 516 -6.733 10.405 53.012 1.00 69.98 N +ATOM 289 CA SER A 516 -7.304 11.423 52.145 1.00 69.98 C +ATOM 290 C SER A 516 -6.270 12.497 51.820 1.00 69.98 C +ATOM 291 O SER A 516 -6.133 12.921 50.670 1.00 69.98 O +ATOM 292 CB SER A 516 -8.525 12.051 52.811 1.00 90.25 C +ATOM 293 OG SER A 516 -9.511 11.068 53.061 1.00 90.25 O +ATOM 294 N LEU A 517 -5.534 12.938 52.834 1.00 59.30 N +ATOM 295 CA LEU A 517 -4.515 13.955 52.620 1.00 59.30 C +ATOM 296 C LEU A 517 -3.450 13.411 51.659 1.00 59.30 C +ATOM 297 O LEU A 517 -3.075 14.069 50.687 1.00 59.30 O +ATOM 298 CB LEU A 517 -3.891 14.356 53.962 1.00 53.16 C +ATOM 299 CG LEU A 517 -4.038 15.809 54.473 1.00 53.16 C +ATOM 300 CD1 LEU A 517 -4.846 16.687 53.522 1.00 53.16 C +ATOM 301 CD2 LEU A 517 -4.686 15.781 55.856 1.00 53.16 C +ATOM 302 N GLU A 518 -2.989 12.192 51.920 1.00 73.80 N +ATOM 303 CA GLU A 518 -1.973 11.559 51.089 1.00 73.80 C +ATOM 304 C GLU A 518 -2.420 11.446 49.638 1.00 73.80 C +ATOM 305 O GLU A 518 -1.589 11.424 48.734 1.00 73.80 O +ATOM 306 CB GLU A 518 -1.638 10.176 51.638 1.00156.95 C +ATOM 307 CG GLU A 518 -0.468 9.506 50.959 1.00156.95 C +ATOM 308 CD GLU A 518 -0.110 8.191 51.614 1.00156.95 C +ATOM 309 OE1 GLU A 518 0.192 8.195 52.827 1.00156.95 O +ATOM 310 OE2 GLU A 518 -0.133 7.153 50.920 1.00156.95 O +ATOM 311 N ARG A 519 -3.729 11.372 49.411 1.00 85.09 N +ATOM 312 CA ARG A 519 -4.247 11.278 48.051 1.00 85.09 C +ATOM 313 C ARG A 519 -4.372 12.655 47.409 1.00 85.09 C +ATOM 314 O ARG A 519 -3.769 12.907 46.371 1.00 85.09 O +ATOM 315 CB ARG A 519 -5.624 10.611 48.011 1.00137.07 C +ATOM 316 CG ARG A 519 -5.671 9.171 48.463 1.00137.07 C +ATOM 317 CD ARG A 519 -7.004 8.545 48.070 1.00137.07 C +ATOM 318 NE ARG A 519 -7.432 7.514 49.013 1.00137.07 N +ATOM 319 CZ ARG A 519 -7.968 7.762 50.207 1.00137.07 C +ATOM 320 NH1 ARG A 519 -8.154 9.012 50.610 1.00137.07 N +ATOM 321 NH2 ARG A 519 -8.309 6.760 51.008 1.00137.07 N +ATOM 322 N ILE A 520 -5.158 13.543 48.020 1.00 66.72 N +ATOM 323 CA ILE A 520 -5.369 14.892 47.475 1.00 66.72 C +ATOM 324 C ILE A 520 -4.047 15.585 47.183 1.00 66.72 C +ATOM 325 O ILE A 520 -4.001 16.559 46.436 1.00 66.72 O +ATOM 326 CB ILE A 520 -6.187 15.793 48.437 1.00 65.05 C +ATOM 327 CG1 ILE A 520 -6.644 17.052 47.700 1.00 65.05 C +ATOM 328 CG2 ILE A 520 -5.339 16.194 49.642 1.00 65.05 C +ATOM 329 CD1 ILE A 520 -7.462 18.005 48.549 1.00 65.05 C +ATOM 330 N SER A 521 -2.973 15.080 47.783 1.00 63.46 N +ATOM 331 CA SER A 521 -1.651 15.648 47.573 1.00 63.46 C +ATOM 332 C SER A 521 -1.033 14.946 46.380 1.00 63.46 C +ATOM 333 O SER A 521 -0.550 15.579 45.447 1.00 63.46 O +ATOM 334 CB SER A 521 -0.782 15.434 48.810 1.00 81.59 C +ATOM 335 OG SER A 521 0.514 15.961 48.607 1.00 81.59 O +ATOM 336 N ASP A 522 -1.059 13.623 46.427 1.00114.66 N +ATOM 337 CA ASP A 522 -0.519 12.805 45.359 1.00114.66 C +ATOM 338 C ASP A 522 -1.149 13.242 44.030 1.00114.66 C +ATOM 339 O ASP A 522 -0.460 13.385 43.024 1.00114.66 O +ATOM 340 CB ASP A 522 -0.841 11.339 45.649 1.00156.64 C +ATOM 341 CG ASP A 522 0.106 10.385 44.965 1.00156.64 C +ATOM 342 OD1 ASP A 522 0.180 10.405 43.718 1.00156.64 O +ATOM 343 OD2 ASP A 522 0.775 9.610 45.682 1.00156.64 O +ATOM 344 N GLN A 523 -2.461 13.469 44.038 1.00106.93 N +ATOM 345 CA GLN A 523 -3.178 13.879 42.836 1.00106.93 C +ATOM 346 C GLN A 523 -2.807 15.294 42.439 1.00106.93 C +ATOM 347 O GLN A 523 -2.622 15.589 41.264 1.00106.93 O +ATOM 348 CB GLN A 523 -4.692 13.801 43.055 1.00165.02 C +ATOM 349 CG GLN A 523 -5.219 12.410 43.376 1.00165.02 C +ATOM 350 CD GLN A 523 -4.906 11.390 42.294 1.00165.02 C +ATOM 351 OE1 GLN A 523 -5.222 11.590 41.121 1.00165.02 O +ATOM 352 NE2 GLN A 523 -4.289 10.282 42.689 1.00165.02 N +ATOM 353 N GLY A 524 -2.695 16.170 43.427 1.00 92.74 N +ATOM 354 CA GLY A 524 -2.355 17.554 43.145 1.00 92.74 C +ATOM 355 C GLY A 524 -0.983 17.774 42.534 1.00 92.74 C +ATOM 356 O GLY A 524 -0.773 18.727 41.785 1.00 92.74 O +ATOM 357 N GLN A 525 -0.038 16.900 42.848 1.00104.08 N +ATOM 358 CA GLN A 525 1.297 17.050 42.310 1.00104.08 C +ATOM 359 C GLN A 525 1.390 16.508 40.889 1.00104.08 C +ATOM 360 O GLN A 525 2.278 16.897 40.128 1.00104.08 O +ATOM 361 CB GLN A 525 2.302 16.349 43.213 1.00145.83 C +ATOM 362 CG GLN A 525 3.733 16.557 42.791 1.00145.83 C +ATOM 363 CD GLN A 525 4.620 16.944 43.949 1.00145.83 C +ATOM 364 OE1 GLN A 525 4.492 18.036 44.509 1.00145.83 O +ATOM 365 NE2 GLN A 525 5.526 16.047 44.325 1.00145.83 N +ATOM 366 N ARG A 526 0.477 15.612 40.524 1.00 88.16 N +ATOM 367 CA ARG A 526 0.495 15.057 39.178 1.00 88.16 C +ATOM 368 C ARG A 526 -0.271 15.985 38.245 1.00 88.16 C +ATOM 369 O ARG A 526 0.021 16.046 37.056 1.00 88.16 O +ATOM 370 CB ARG A 526 -0.122 13.657 39.142 1.00145.75 C +ATOM 371 CG ARG A 526 -1.631 13.640 39.004 1.00145.75 C +ATOM 372 CD ARG A 526 -2.161 12.224 39.047 1.00145.75 C +ATOM 373 NE ARG A 526 -1.668 11.516 40.226 1.00145.75 N +ATOM 374 CZ ARG A 526 -2.150 10.358 40.663 1.00145.75 C +ATOM 375 NH1 ARG A 526 -3.148 9.768 40.018 1.00145.75 N +ATOM 376 NH2 ARG A 526 -1.638 9.790 41.747 1.00145.75 N +ATOM 377 N LYS A 527 -1.256 16.705 38.776 1.00 77.87 N +ATOM 378 CA LYS A 527 -2.014 17.632 37.946 1.00 77.87 C +ATOM 379 C LYS A 527 -1.102 18.782 37.551 1.00 77.87 C +ATOM 380 O LYS A 527 -1.182 19.303 36.439 1.00 77.87 O +ATOM 381 CB LYS A 527 -3.236 18.159 38.691 1.00123.07 C +ATOM 382 CG LYS A 527 -4.389 17.186 38.693 1.00123.07 C +ATOM 383 CD LYS A 527 -5.691 17.904 38.941 1.00123.07 C +ATOM 384 CE LYS A 527 -6.865 17.027 38.568 1.00123.07 C +ATOM 385 NZ LYS A 527 -8.134 17.804 38.534 1.00123.07 N +ATOM 386 N THR A 528 -0.230 19.166 38.475 1.00 79.69 N +ATOM 387 CA THR A 528 0.737 20.225 38.234 1.00 79.69 C +ATOM 388 C THR A 528 1.654 19.797 37.087 1.00 79.69 C +ATOM 389 O THR A 528 2.096 20.619 36.293 1.00 79.69 O +ATOM 390 CB THR A 528 1.571 20.486 39.501 1.00 74.29 C +ATOM 391 OG1 THR A 528 0.746 21.131 40.473 1.00 74.29 O +ATOM 392 CG2 THR A 528 2.767 21.366 39.205 1.00 74.29 C +ATOM 393 N GLN A 529 1.935 18.503 37.004 1.00 78.61 N +ATOM 394 CA GLN A 529 2.784 17.984 35.944 1.00 78.61 C +ATOM 395 C GLN A 529 2.084 18.020 34.595 1.00 78.61 C +ATOM 396 O GLN A 529 2.542 18.685 33.675 1.00 78.61 O +ATOM 397 CB GLN A 529 3.208 16.557 36.259 1.00104.47 C +ATOM 398 CG GLN A 529 4.543 16.501 36.913 1.00104.47 C +ATOM 399 CD GLN A 529 5.551 17.299 36.132 1.00104.47 C +ATOM 400 OE1 GLN A 529 5.672 17.141 34.914 1.00104.47 O +ATOM 401 NE2 GLN A 529 6.280 18.169 36.821 1.00104.47 N +ATOM 402 N GLU A 530 0.974 17.300 34.480 1.00 79.03 N +ATOM 403 CA GLU A 530 0.223 17.267 33.238 1.00 79.03 C +ATOM 404 C GLU A 530 0.165 18.664 32.651 1.00 79.03 C +ATOM 405 O GLU A 530 0.423 18.857 31.466 1.00 79.03 O +ATOM 406 CB GLU A 530 -1.191 16.770 33.492 1.00129.32 C +ATOM 407 CG GLU A 530 -1.244 15.505 34.304 1.00129.32 C +ATOM 408 CD GLU A 530 -2.661 15.080 34.588 1.00129.32 C +ATOM 409 OE1 GLU A 530 -2.858 14.210 35.467 1.00129.32 O +ATOM 410 OE2 GLU A 530 -3.575 15.619 33.924 1.00129.32 O +ATOM 411 N GLN A 531 -0.168 19.639 33.487 1.00 70.77 N +ATOM 412 CA GLN A 531 -0.259 21.023 33.045 1.00 70.77 C +ATOM 413 C GLN A 531 1.063 21.485 32.414 1.00 70.77 C +ATOM 414 O GLN A 531 1.087 21.967 31.268 1.00 70.77 O +ATOM 415 CB GLN A 531 -0.631 21.909 34.232 1.00 78.34 C +ATOM 416 CG GLN A 531 -0.963 23.338 33.878 1.00 78.34 C +ATOM 417 CD GLN A 531 -1.908 23.423 32.707 1.00 78.34 C +ATOM 418 OE1 GLN A 531 -2.813 22.603 32.570 1.00 78.34 O +ATOM 419 NE2 GLN A 531 -1.711 24.424 31.857 1.00 78.34 N +ATOM 420 N LEU A 532 2.165 21.334 33.147 1.00 64.12 N +ATOM 421 CA LEU A 532 3.469 21.726 32.618 1.00 64.12 C +ATOM 422 C LEU A 532 3.735 21.040 31.271 1.00 64.12 C +ATOM 423 O LEU A 532 4.344 21.633 30.387 1.00 64.12 O +ATOM 424 CB LEU A 532 4.576 21.371 33.612 1.00 52.16 C +ATOM 425 CG LEU A 532 4.485 22.068 34.974 1.00 52.16 C +ATOM 426 CD1 LEU A 532 5.416 21.384 35.968 1.00 52.16 C +ATOM 427 CD2 LEU A 532 4.838 23.534 34.839 1.00 52.16 C +ATOM 428 N GLU A 533 3.267 19.801 31.122 1.00 53.07 N +ATOM 429 CA GLU A 533 3.446 19.045 29.889 1.00 53.07 C +ATOM 430 C GLU A 533 2.480 19.533 28.809 1.00 53.07 C +ATOM 431 O GLU A 533 2.757 19.411 27.600 1.00 53.07 O +ATOM 432 CB GLU A 533 3.241 17.552 30.142 1.00120.45 C +ATOM 433 CG GLU A 533 4.260 16.968 31.101 1.00120.45 C +ATOM 434 CD GLU A 533 4.062 15.490 31.344 1.00120.45 C +ATOM 435 OE1 GLU A 533 2.966 15.095 31.800 1.00120.45 O +ATOM 436 OE2 GLU A 533 5.012 14.724 31.083 1.00120.45 O +ATOM 437 N VAL A 534 1.345 20.094 29.226 1.00 58.72 N +ATOM 438 CA VAL A 534 0.374 20.609 28.259 1.00 58.72 C +ATOM 439 C VAL A 534 0.905 21.920 27.706 1.00 58.72 C +ATOM 440 O VAL A 534 0.857 22.172 26.509 1.00 58.72 O +ATOM 441 CB VAL A 534 -0.994 20.859 28.912 1.00 63.07 C +ATOM 442 CG1 VAL A 534 -1.939 21.493 27.917 1.00 63.07 C +ATOM 443 CG2 VAL A 534 -1.563 19.555 29.390 1.00 63.07 C +ATOM 444 N LEU A 535 1.429 22.743 28.604 1.00 69.18 N +ATOM 445 CA LEU A 535 1.981 24.031 28.230 1.00 69.18 C +ATOM 446 C LEU A 535 3.200 23.877 27.324 1.00 69.18 C +ATOM 447 O LEU A 535 3.367 24.627 26.362 1.00 69.18 O +ATOM 448 CB LEU A 535 2.344 24.812 29.490 1.00 84.19 C +ATOM 449 CG LEU A 535 3.071 26.132 29.271 1.00 84.19 C +ATOM 450 CD1 LEU A 535 2.617 27.115 30.319 1.00 84.19 C +ATOM 451 CD2 LEU A 535 4.580 25.919 29.337 1.00 84.19 C +ATOM 452 N GLU A 536 4.048 22.903 27.637 1.00 64.20 N +ATOM 453 CA GLU A 536 5.240 22.661 26.844 1.00 64.20 C +ATOM 454 C GLU A 536 4.836 22.197 25.462 1.00 64.20 C +ATOM 455 O GLU A 536 5.295 22.729 24.455 1.00 64.20 O +ATOM 456 CB GLU A 536 6.109 21.593 27.488 1.00 97.00 C +ATOM 457 CG GLU A 536 7.389 21.339 26.725 1.00 97.00 C +ATOM 458 CD GLU A 536 8.094 22.632 26.360 1.00 97.00 C +ATOM 459 OE1 GLU A 536 7.854 23.656 27.047 1.00 97.00 O +ATOM 460 OE2 GLU A 536 8.891 22.620 25.394 1.00 97.00 O +ATOM 461 N SER A 537 3.971 21.193 25.418 1.00 57.94 N +ATOM 462 CA SER A 537 3.489 20.658 24.157 1.00 57.94 C +ATOM 463 C SER A 537 2.830 21.752 23.309 1.00 57.94 C +ATOM 464 O SER A 537 3.073 21.859 22.100 1.00 57.94 O +ATOM 465 CB SER A 537 2.489 19.543 24.430 1.00 64.50 C +ATOM 466 OG SER A 537 1.868 19.143 23.224 1.00 64.50 O +ATOM 467 N LEU A 538 1.991 22.560 23.953 1.00 54.29 N +ATOM 468 CA LEU A 538 1.285 23.654 23.291 1.00 54.29 C +ATOM 469 C LEU A 538 2.270 24.546 22.536 1.00 54.29 C +ATOM 470 O LEU A 538 2.058 24.846 21.367 1.00 54.29 O +ATOM 471 CB LEU A 538 0.510 24.459 24.335 1.00 62.74 C +ATOM 472 CG LEU A 538 -0.731 25.200 23.859 1.00 62.74 C +ATOM 473 CD1 LEU A 538 -1.525 24.338 22.915 1.00 62.74 C +ATOM 474 CD2 LEU A 538 -1.573 25.563 25.059 1.00 62.74 C +ATOM 475 N LYS A 539 3.352 24.951 23.198 1.00 59.97 N +ATOM 476 CA LYS A 539 4.362 25.779 22.549 1.00 59.97 C +ATOM 477 C LYS A 539 4.930 25.015 21.359 1.00 59.97 C +ATOM 478 O LYS A 539 5.040 25.557 20.254 1.00 59.97 O +ATOM 479 CB LYS A 539 5.487 26.109 23.520 1.00 81.94 C +ATOM 480 CG LYS A 539 5.030 26.875 24.735 1.00 81.94 C +ATOM 481 CD LYS A 539 6.151 27.001 25.737 1.00 81.94 C +ATOM 482 CE LYS A 539 5.730 27.818 26.940 1.00 81.94 C +ATOM 483 NZ LYS A 539 6.806 27.886 27.984 1.00 81.94 N +ATOM 484 N GLN A 540 5.292 23.755 21.597 1.00 55.99 N +ATOM 485 CA GLN A 540 5.831 22.883 20.559 1.00 55.99 C +ATOM 486 C GLN A 540 4.895 22.849 19.341 1.00 55.99 C +ATOM 487 O GLN A 540 5.347 23.008 18.197 1.00 55.99 O +ATOM 488 CB GLN A 540 5.981 21.459 21.095 1.00109.82 C +ATOM 489 CG GLN A 540 7.364 20.872 20.962 1.00109.82 C +ATOM 490 CD GLN A 540 8.381 21.656 21.749 1.00109.82 C +ATOM 491 OE1 GLN A 540 8.712 22.789 21.393 1.00109.82 O +ATOM 492 NE2 GLN A 540 8.873 21.068 22.840 1.00109.82 N +ATOM 493 N GLU A 541 3.599 22.625 19.590 1.00 61.06 N +ATOM 494 CA GLU A 541 2.605 22.557 18.522 1.00 61.06 C +ATOM 495 C GLU A 541 2.545 23.857 17.720 1.00 61.06 C +ATOM 496 O GLU A 541 2.601 23.841 16.488 1.00 61.06 O +ATOM 497 CB GLU A 541 1.232 22.245 19.105 1.00118.52 C +ATOM 498 CG GLU A 541 1.089 20.818 19.567 1.00118.52 C +ATOM 499 CD GLU A 541 -0.206 20.582 20.317 1.00118.52 C +ATOM 500 OE1 GLU A 541 -0.244 20.809 21.548 1.00118.52 O +ATOM 501 OE2 GLU A 541 -1.195 20.180 19.668 1.00118.52 O +ATOM 502 N LEU A 542 2.442 24.985 18.419 1.00 61.37 N +ATOM 503 CA LEU A 542 2.380 26.281 17.753 1.00 61.37 C +ATOM 504 C LEU A 542 3.612 26.522 16.903 1.00 61.37 C +ATOM 505 O LEU A 542 3.496 26.961 15.764 1.00 61.37 O +ATOM 506 CB LEU A 542 2.246 27.412 18.774 1.00 49.93 C +ATOM 507 CG LEU A 542 2.224 28.833 18.211 1.00 49.93 C +ATOM 508 CD1 LEU A 542 1.297 28.899 17.025 1.00 49.93 C +ATOM 509 CD2 LEU A 542 1.771 29.802 19.284 1.00 49.93 C +ATOM 510 N ALA A 543 4.787 26.235 17.462 1.00 61.03 N +ATOM 511 CA ALA A 543 6.054 26.428 16.757 1.00 61.03 C +ATOM 512 C ALA A 543 6.083 25.621 15.483 1.00 61.03 C +ATOM 513 O ALA A 543 6.523 26.104 14.441 1.00 61.03 O +ATOM 514 CB ALA A 543 7.201 26.019 17.626 1.00 63.36 C +ATOM 515 N THR A 544 5.618 24.382 15.564 1.00 58.42 N +ATOM 516 CA THR A 544 5.598 23.538 14.380 1.00 58.42 C +ATOM 517 C THR A 544 4.653 24.130 13.338 1.00 58.42 C +ATOM 518 O THR A 544 5.027 24.297 12.173 1.00 58.42 O +ATOM 519 CB THR A 544 5.147 22.105 14.711 1.00 67.03 C +ATOM 520 OG1 THR A 544 6.088 21.503 15.609 1.00 67.03 O +ATOM 521 CG2 THR A 544 5.052 21.279 13.437 1.00 67.03 C +ATOM 522 N SER A 545 3.433 24.455 13.766 1.00 53.42 N +ATOM 523 CA SER A 545 2.434 25.027 12.871 1.00 53.42 C +ATOM 524 C SER A 545 3.009 26.241 12.153 1.00 53.42 C +ATOM 525 O SER A 545 2.756 26.449 10.967 1.00 53.42 O +ATOM 526 CB SER A 545 1.196 25.438 13.652 1.00 60.98 C +ATOM 527 OG SER A 545 0.149 25.711 12.746 1.00 60.98 O +ATOM 528 N GLN A 546 3.786 27.044 12.877 1.00 54.46 N +ATOM 529 CA GLN A 546 4.409 28.209 12.275 1.00 54.46 C +ATOM 530 C GLN A 546 5.376 27.788 11.173 1.00 54.46 C +ATOM 531 O GLN A 546 5.284 28.302 10.056 1.00 54.46 O +ATOM 532 CB GLN A 546 5.105 29.049 13.337 1.00106.39 C +ATOM 533 CG GLN A 546 4.094 29.763 14.199 1.00106.39 C +ATOM 534 CD GLN A 546 3.025 30.455 13.358 1.00106.39 C +ATOM 535 OE1 GLN A 546 3.305 31.420 12.649 1.00106.39 O +ATOM 536 NE2 GLN A 546 1.798 29.952 13.423 1.00106.39 N +ATOM 537 N ARG A 547 6.280 26.849 11.466 1.00 60.29 N +ATOM 538 CA ARG A 547 7.214 26.368 10.451 1.00 60.29 C +ATOM 539 C ARG A 547 6.434 25.857 9.237 1.00 60.29 C +ATOM 540 O ARG A 547 6.757 26.207 8.100 1.00 60.29 O +ATOM 541 CB ARG A 547 8.092 25.252 11.011 1.00112.01 C +ATOM 542 CG ARG A 547 9.129 25.738 11.992 1.00112.01 C +ATOM 543 CD ARG A 547 9.852 24.576 12.648 1.00112.01 C +ATOM 544 NE ARG A 547 9.525 24.438 14.070 1.00112.01 N +ATOM 545 CZ ARG A 547 8.995 23.347 14.625 1.00112.01 C +ATOM 546 NH1 ARG A 547 8.721 22.278 13.884 1.00112.01 N +ATOM 547 NH2 ARG A 547 8.739 23.321 15.929 1.00112.01 N +ATOM 548 N GLU A 548 5.403 25.041 9.467 1.00 58.04 N +ATOM 549 CA GLU A 548 4.590 24.524 8.363 1.00 58.04 C +ATOM 550 C GLU A 548 3.931 25.656 7.561 1.00 58.04 C +ATOM 551 O GLU A 548 3.981 25.661 6.328 1.00 58.04 O +ATOM 552 CB GLU A 548 3.525 23.562 8.892 1.00 98.03 C +ATOM 553 CG GLU A 548 4.108 22.246 9.363 1.00 98.03 C +ATOM 554 CD GLU A 548 3.125 21.403 10.145 1.00 98.03 C +ATOM 555 OE1 GLU A 548 2.707 21.834 11.238 1.00 98.03 O +ATOM 556 OE2 GLU A 548 2.773 20.305 9.670 1.00 98.03 O +ATOM 557 N LEU A 549 3.324 26.621 8.250 1.00 67.71 N +ATOM 558 CA LEU A 549 2.691 27.739 7.560 1.00 67.71 C +ATOM 559 C LEU A 549 3.682 28.480 6.692 1.00 67.71 C +ATOM 560 O LEU A 549 3.343 28.929 5.603 1.00 67.71 O +ATOM 561 CB LEU A 549 2.109 28.736 8.544 1.00 69.01 C +ATOM 562 CG LEU A 549 0.609 28.636 8.767 1.00 69.01 C +ATOM 563 CD1 LEU A 549 0.197 29.727 9.746 1.00 69.01 C +ATOM 564 CD2 LEU A 549 -0.131 28.764 7.441 1.00 69.01 C +ATOM 565 N GLN A 550 4.907 28.623 7.178 1.00 55.61 N +ATOM 566 CA GLN A 550 5.916 29.330 6.414 1.00 55.61 C +ATOM 567 C GLN A 550 6.290 28.546 5.162 1.00 55.61 C +ATOM 568 O GLN A 550 6.556 29.124 4.108 1.00 55.61 O +ATOM 569 CB GLN A 550 7.147 29.567 7.269 1.00126.47 C +ATOM 570 CG GLN A 550 8.128 30.493 6.630 1.00126.47 C +ATOM 571 CD GLN A 550 9.264 30.808 7.552 1.00126.47 C +ATOM 572 OE1 GLN A 550 9.988 29.914 7.983 1.00126.47 O +ATOM 573 NE2 GLN A 550 9.430 32.085 7.876 1.00126.47 N +ATOM 574 N VAL A 551 6.298 27.224 5.266 1.00 58.71 N +ATOM 575 CA VAL A 551 6.642 26.411 4.110 1.00 58.71 C +ATOM 576 C VAL A 551 5.559 26.503 3.059 1.00 58.71 C +ATOM 577 O VAL A 551 5.867 26.585 1.874 1.00 58.71 O +ATOM 578 CB VAL A 551 6.856 24.937 4.484 1.00 77.59 C +ATOM 579 CG1 VAL A 551 7.008 24.110 3.228 1.00 77.59 C +ATOM 580 CG2 VAL A 551 8.101 24.797 5.354 1.00 77.59 C +ATOM 581 N LEU A 552 4.294 26.484 3.468 1.00 49.85 N +ATOM 582 CA LEU A 552 3.224 26.600 2.476 1.00 49.85 C +ATOM 583 C LEU A 552 3.242 27.968 1.796 1.00 49.85 C +ATOM 584 O LEU A 552 3.011 28.057 0.582 1.00 49.85 O +ATOM 585 CB LEU A 552 1.858 26.347 3.099 1.00 55.06 C +ATOM 586 CG LEU A 552 1.704 24.911 3.596 1.00 55.06 C +ATOM 587 CD1 LEU A 552 0.220 24.553 3.633 1.00 55.06 C +ATOM 588 CD2 LEU A 552 2.438 23.957 2.675 1.00 55.06 C +ATOM 589 N GLN A 553 3.530 29.022 2.566 1.00 58.27 N +ATOM 590 CA GLN A 553 3.600 30.359 1.998 1.00 58.27 C +ATOM 591 C GLN A 553 4.600 30.351 0.845 1.00 58.27 C +ATOM 592 O GLN A 553 4.411 31.042 -0.166 1.00 58.27 O +ATOM 593 CB GLN A 553 4.005 31.387 3.048 1.00155.62 C +ATOM 594 CG GLN A 553 2.851 32.270 3.458 1.00155.62 C +ATOM 595 CD GLN A 553 3.276 33.391 4.368 1.00155.62 C +ATOM 596 OE1 GLN A 553 3.782 33.158 5.466 1.00155.62 O +ATOM 597 NE2 GLN A 553 3.074 34.624 3.918 1.00155.62 N +ATOM 598 N GLY A 554 5.654 29.546 0.988 1.00 54.27 N +ATOM 599 CA GLY A 554 6.651 29.430 -0.066 1.00 54.27 C +ATOM 600 C GLY A 554 6.150 28.595 -1.242 1.00 54.27 C +ATOM 601 O GLY A 554 6.390 28.931 -2.405 1.00 54.27 O +ATOM 602 N SER A 555 5.461 27.494 -0.954 1.00 70.12 N +ATOM 603 CA SER A 555 4.935 26.655 -2.022 1.00 70.12 C +ATOM 604 C SER A 555 3.943 27.457 -2.856 1.00 70.12 C +ATOM 605 O SER A 555 3.913 27.339 -4.084 1.00 70.12 O +ATOM 606 CB SER A 555 4.265 25.421 -1.439 1.00 72.33 C +ATOM 607 OG SER A 555 5.240 24.604 -0.827 1.00 72.33 O +ATOM 608 N LEU A 556 3.133 28.277 -2.188 1.00 49.63 N +ATOM 609 CA LEU A 556 2.182 29.121 -2.898 1.00 49.63 C +ATOM 610 C LEU A 556 2.989 30.091 -3.772 1.00 49.63 C +ATOM 611 O LEU A 556 2.699 30.267 -4.960 1.00 49.63 O +ATOM 612 CB LEU A 556 1.310 29.888 -1.911 1.00 65.12 C +ATOM 613 CG LEU A 556 -0.191 29.797 -2.203 1.00 65.12 C +ATOM 614 CD1 LEU A 556 -0.460 30.259 -3.630 1.00 65.12 C +ATOM 615 CD2 LEU A 556 -0.681 28.374 -2.028 1.00 65.12 C +ATOM 616 N GLU A 557 4.017 30.696 -3.175 1.00 52.89 N +ATOM 617 CA GLU A 557 4.924 31.621 -3.867 1.00 52.89 C +ATOM 618 C GLU A 557 5.477 30.994 -5.168 1.00 52.89 C +ATOM 619 O GLU A 557 5.408 31.592 -6.246 1.00 52.89 O +ATOM 620 CB GLU A 557 6.088 31.972 -2.934 1.00170.02 C +ATOM 621 CG GLU A 557 6.982 33.080 -3.432 1.00170.02 C +ATOM 622 CD GLU A 557 6.254 34.399 -3.496 1.00170.02 C +ATOM 623 OE1 GLU A 557 5.709 34.814 -2.451 1.00170.02 O +ATOM 624 OE2 GLU A 557 6.224 35.016 -4.583 1.00170.02 O +ATOM 625 N THR A 558 6.028 29.787 -5.059 1.00 54.13 N +ATOM 626 CA THR A 558 6.577 29.087 -6.221 1.00 54.13 C +ATOM 627 C THR A 558 5.477 28.711 -7.211 1.00 54.13 C +ATOM 628 O THR A 558 5.576 29.005 -8.406 1.00 54.13 O +ATOM 629 CB THR A 558 7.330 27.799 -5.803 1.00 62.92 C +ATOM 630 OG1 THR A 558 8.570 28.154 -5.182 1.00 62.92 O +ATOM 631 CG2 THR A 558 7.608 26.917 -7.013 1.00 62.92 C +ATOM 632 N SER A 559 4.433 28.052 -6.720 1.00 65.90 N +ATOM 633 CA SER A 559 3.341 27.672 -7.599 1.00 65.90 C +ATOM 634 C SER A 559 2.898 28.926 -8.357 1.00 65.90 C +ATOM 635 O SER A 559 2.763 28.908 -9.579 1.00 65.90 O +ATOM 636 CB SER A 559 2.176 27.086 -6.793 1.00 51.78 C +ATOM 637 OG SER A 559 1.198 26.510 -7.651 1.00 51.78 O +ATOM 638 N ALA A 560 2.699 30.024 -7.636 1.00 60.66 N +ATOM 639 CA ALA A 560 2.288 31.266 -8.281 1.00 60.66 C +ATOM 640 C ALA A 560 3.236 31.611 -9.421 1.00 60.66 C +ATOM 641 O ALA A 560 2.801 31.847 -10.562 1.00 60.66 O +ATOM 642 CB ALA A 560 2.271 32.380 -7.291 1.00 49.98 C +ATOM 643 N GLN A 561 4.532 31.649 -9.111 1.00 45.77 N +ATOM 644 CA GLN A 561 5.526 31.943 -10.134 1.00 45.77 C +ATOM 645 C GLN A 561 5.383 30.965 -11.308 1.00 45.77 C +ATOM 646 O GLN A 561 5.587 31.343 -12.466 1.00 45.77 O +ATOM 647 CB GLN A 561 6.939 31.857 -9.553 1.00 95.10 C +ATOM 648 CG GLN A 561 8.021 32.149 -10.579 1.00 95.10 C +ATOM 649 CD GLN A 561 7.824 33.489 -11.272 1.00 95.10 C +ATOM 650 OE1 GLN A 561 8.330 33.711 -12.371 1.00 95.10 O +ATOM 651 NE2 GLN A 561 7.095 34.393 -10.624 1.00 95.10 N +ATOM 652 N SER A 562 5.011 29.718 -11.019 1.00 52.60 N +ATOM 653 CA SER A 562 4.859 28.733 -12.077 1.00 52.60 C +ATOM 654 C SER A 562 3.682 29.038 -12.974 1.00 52.60 C +ATOM 655 O SER A 562 3.789 28.924 -14.201 1.00 52.60 O +ATOM 656 CB SER A 562 4.690 27.336 -11.512 1.00 60.05 C +ATOM 657 OG SER A 562 4.682 26.397 -12.571 1.00 60.05 O +ATOM 658 N GLU A 563 2.553 29.409 -12.381 1.00 59.23 N +ATOM 659 CA GLU A 563 1.386 29.743 -13.186 1.00 59.23 C +ATOM 660 C GLU A 563 1.729 30.887 -14.110 1.00 59.23 C +ATOM 661 O GLU A 563 1.261 30.924 -15.246 1.00 59.23 O +ATOM 662 CB GLU A 563 0.220 30.149 -12.322 1.00 52.90 C +ATOM 663 CG GLU A 563 -0.301 29.018 -11.535 1.00 52.90 C +ATOM 664 CD GLU A 563 -1.744 29.198 -11.185 1.00 52.90 C +ATOM 665 OE1 GLU A 563 -2.562 29.382 -12.114 1.00 52.90 O +ATOM 666 OE2 GLU A 563 -2.057 29.143 -9.979 1.00 52.90 O +ATOM 667 N ALA A 564 2.543 31.823 -13.625 1.00 50.25 N +ATOM 668 CA ALA A 564 2.969 32.949 -14.455 1.00 50.25 C +ATOM 669 C ALA A 564 3.650 32.424 -15.720 1.00 50.25 C +ATOM 670 O ALA A 564 3.259 32.764 -16.845 1.00 50.25 O +ATOM 671 CB ALA A 564 3.929 33.830 -13.693 1.00 46.27 C +ATOM 672 N ASN A 565 4.668 31.584 -15.535 1.00 43.78 N +ATOM 673 CA ASN A 565 5.376 31.029 -16.676 1.00 43.78 C +ATOM 674 C ASN A 565 4.429 30.363 -17.660 1.00 43.78 C +ATOM 675 O ASN A 565 4.514 30.614 -18.873 1.00 43.78 O +ATOM 676 CB ASN A 565 6.447 30.058 -16.210 1.00 76.82 C +ATOM 677 CG ASN A 565 7.476 30.733 -15.337 1.00 76.82 C +ATOM 678 OD1 ASN A 565 7.593 31.961 -15.326 1.00 76.82 O +ATOM 679 ND2 ASN A 565 8.236 29.940 -14.603 1.00 76.82 N +ATOM 680 N TRP A 566 3.511 29.537 -17.162 1.00 53.20 N +ATOM 681 CA TRP A 566 2.578 28.884 -18.072 1.00 53.20 C +ATOM 682 C TRP A 566 1.912 29.892 -18.997 1.00 53.20 C +ATOM 683 O TRP A 566 1.884 29.701 -20.218 1.00 53.20 O +ATOM 684 CB TRP A 566 1.511 28.127 -17.300 1.00 59.33 C +ATOM 685 CG TRP A 566 1.935 26.763 -16.908 1.00 59.33 C +ATOM 686 CD1 TRP A 566 2.147 26.305 -15.643 1.00 59.33 C +ATOM 687 CD2 TRP A 566 2.170 25.651 -17.787 1.00 59.33 C +ATOM 688 NE1 TRP A 566 2.494 24.972 -15.674 1.00 59.33 N +ATOM 689 CE2 TRP A 566 2.514 24.546 -16.976 1.00 59.33 C +ATOM 690 CE3 TRP A 566 2.121 25.480 -19.172 1.00 59.33 C +ATOM 691 CZ2 TRP A 566 2.807 23.285 -17.509 1.00 59.33 C +ATOM 692 CZ3 TRP A 566 2.412 24.224 -19.700 1.00 59.33 C +ATOM 693 CH2 TRP A 566 2.749 23.144 -18.867 1.00 59.33 C +ATOM 694 N ALA A 567 1.383 30.967 -18.413 1.00 58.27 N +ATOM 695 CA ALA A 567 0.723 32.011 -19.190 1.00 58.27 C +ATOM 696 C ALA A 567 1.665 32.530 -20.269 1.00 58.27 C +ATOM 697 O ALA A 567 1.312 32.548 -21.451 1.00 58.27 O +ATOM 698 CB ALA A 567 0.294 33.146 -18.283 1.00 62.21 C +ATOM 699 N ALA A 568 2.865 32.943 -19.865 1.00 46.10 N +ATOM 700 CA ALA A 568 3.851 33.443 -20.821 1.00 46.10 C +ATOM 701 C ALA A 568 4.155 32.368 -21.869 1.00 46.10 C +ATOM 702 O ALA A 568 4.180 32.660 -23.068 1.00 46.10 O +ATOM 703 CB ALA A 568 5.120 33.841 -20.104 1.00 31.60 C +ATOM 704 N GLU A 569 4.385 31.132 -21.411 1.00 40.12 N +ATOM 705 CA GLU A 569 4.657 30.011 -22.305 1.00 40.12 C +ATOM 706 C GLU A 569 3.503 29.888 -23.297 1.00 40.12 C +ATOM 707 O GLU A 569 3.705 29.789 -24.526 1.00 40.12 O +ATOM 708 CB GLU A 569 4.774 28.722 -21.504 1.00 61.58 C +ATOM 709 CG GLU A 569 6.046 28.618 -20.695 1.00 61.58 C +ATOM 710 CD GLU A 569 7.241 28.481 -21.585 1.00 61.58 C +ATOM 711 OE1 GLU A 569 7.017 28.214 -22.781 1.00 61.58 O +ATOM 712 OE2 GLU A 569 8.387 28.629 -21.108 1.00 61.58 O +ATOM 713 N PHE A 570 2.283 29.907 -22.768 1.00 61.32 N +ATOM 714 CA PHE A 570 1.097 29.804 -23.609 1.00 61.32 C +ATOM 715 C PHE A 570 1.042 30.973 -24.601 1.00 61.32 C +ATOM 716 O PHE A 570 0.646 30.819 -25.775 1.00 61.32 O +ATOM 717 CB PHE A 570 -0.155 29.800 -22.734 1.00 53.12 C +ATOM 718 CG PHE A 570 -1.417 29.536 -23.492 1.00 53.12 C +ATOM 719 CD1 PHE A 570 -2.046 30.554 -24.190 1.00 53.12 C +ATOM 720 CD2 PHE A 570 -1.974 28.264 -23.516 1.00 53.12 C +ATOM 721 CE1 PHE A 570 -3.216 30.317 -24.910 1.00 53.12 C +ATOM 722 CE2 PHE A 570 -3.143 28.010 -24.230 1.00 53.12 C +ATOM 723 CZ PHE A 570 -3.766 29.044 -24.930 1.00 53.12 C +ATOM 724 N ALA A 571 1.452 32.144 -24.123 1.00 53.04 N +ATOM 725 CA ALA A 571 1.433 33.327 -24.960 1.00 53.04 C +ATOM 726 C ALA A 571 2.245 33.115 -26.224 1.00 53.04 C +ATOM 727 O ALA A 571 1.761 33.402 -27.312 1.00 53.04 O +ATOM 728 CB ALA A 571 1.960 34.519 -24.188 1.00 52.60 C +ATOM 729 N GLU A 572 3.468 32.601 -26.082 1.00 40.48 N +ATOM 730 CA GLU A 572 4.340 32.372 -27.226 1.00 40.48 C +ATOM 731 C GLU A 572 3.728 31.429 -28.249 1.00 40.48 C +ATOM 732 O GLU A 572 3.784 31.692 -29.469 1.00 40.48 O +ATOM 733 CB GLU A 572 5.693 31.832 -26.768 1.00113.13 C +ATOM 734 CG GLU A 572 6.713 32.922 -26.594 1.00113.13 C +ATOM 735 CD GLU A 572 6.710 33.873 -27.771 1.00113.13 C +ATOM 736 OE1 GLU A 572 6.997 33.432 -28.910 1.00113.13 O +ATOM 737 OE2 GLU A 572 6.402 35.063 -27.557 1.00113.13 O +ATOM 738 N LEU A 573 3.141 30.333 -27.755 1.00 49.60 N +ATOM 739 CA LEU A 573 2.520 29.345 -28.637 1.00 49.60 C +ATOM 740 C LEU A 573 1.385 30.034 -29.383 1.00 49.60 C +ATOM 741 O LEU A 573 1.239 29.870 -30.598 1.00 49.60 O +ATOM 742 CB LEU A 573 1.978 28.167 -27.822 1.00 62.51 C +ATOM 743 CG LEU A 573 2.371 26.762 -28.279 1.00 62.51 C +ATOM 744 CD1 LEU A 573 1.875 26.532 -29.672 1.00 62.51 C +ATOM 745 CD2 LEU A 573 3.880 26.599 -28.246 1.00 62.51 C +ATOM 746 N GLU A 574 0.592 30.823 -28.652 1.00 50.69 N +ATOM 747 CA GLU A 574 -0.526 31.537 -29.254 1.00 50.69 C +ATOM 748 C GLU A 574 -0.035 32.429 -30.382 1.00 50.69 C +ATOM 749 O GLU A 574 -0.576 32.375 -31.484 1.00 50.69 O +ATOM 750 CB GLU A 574 -1.265 32.368 -28.206 1.00 67.99 C +ATOM 751 CG GLU A 574 -2.380 33.235 -28.780 1.00 67.99 C +ATOM 752 CD GLU A 574 -3.231 33.866 -27.696 1.00 67.99 C +ATOM 753 OE1 GLU A 574 -2.722 34.046 -26.568 1.00 67.99 O +ATOM 754 OE2 GLU A 574 -4.405 34.192 -27.971 1.00 67.99 O +ATOM 755 N LYS A 575 0.992 33.237 -30.112 1.00 57.08 N +ATOM 756 CA LYS A 575 1.571 34.121 -31.117 1.00 57.08 C +ATOM 757 C LYS A 575 1.913 33.314 -32.378 1.00 57.08 C +ATOM 758 O LYS A 575 1.576 33.723 -33.479 1.00 57.08 O +ATOM 759 CB LYS A 575 2.830 34.781 -30.565 1.00 91.01 C +ATOM 760 CG LYS A 575 3.484 35.762 -31.506 1.00 91.01 C +ATOM 761 CD LYS A 575 4.832 36.175 -30.955 1.00 91.01 C +ATOM 762 CE LYS A 575 5.512 37.215 -31.827 1.00 91.01 C +ATOM 763 NZ LYS A 575 6.926 37.465 -31.397 1.00 91.01 N +ATOM 764 N GLU A 576 2.576 32.168 -32.217 1.00 64.64 N +ATOM 765 CA GLU A 576 2.921 31.313 -33.359 1.00 64.64 C +ATOM 766 C GLU A 576 1.672 30.805 -34.083 1.00 64.64 C +ATOM 767 O GLU A 576 1.571 30.933 -35.307 1.00 64.64 O +ATOM 768 CB GLU A 576 3.739 30.102 -32.904 1.00 75.88 C +ATOM 769 CG GLU A 576 5.168 30.406 -32.514 1.00 75.88 C +ATOM 770 CD GLU A 576 5.885 29.190 -31.982 1.00 75.88 C +ATOM 771 OE1 GLU A 576 5.758 28.116 -32.602 1.00 75.88 O +ATOM 772 OE2 GLU A 576 6.577 29.309 -30.950 1.00 75.88 O +ATOM 773 N ARG A 577 0.742 30.215 -33.324 1.00 64.78 N +ATOM 774 CA ARG A 577 -0.509 29.687 -33.868 1.00 64.78 C +ATOM 775 C ARG A 577 -1.216 30.767 -34.693 1.00 64.78 C +ATOM 776 O ARG A 577 -1.717 30.497 -35.787 1.00 64.78 O +ATOM 777 CB ARG A 577 -1.417 29.224 -32.725 1.00 83.54 C +ATOM 778 CG ARG A 577 -2.639 28.407 -33.149 1.00 83.54 C +ATOM 779 CD ARG A 577 -3.760 29.261 -33.728 1.00 83.54 C +ATOM 780 NE ARG A 577 -4.304 30.227 -32.768 1.00 83.54 N +ATOM 781 CZ ARG A 577 -5.063 29.922 -31.713 1.00 83.54 C +ATOM 782 NH1 ARG A 577 -5.388 28.661 -31.455 1.00 83.54 N +ATOM 783 NH2 ARG A 577 -5.503 30.884 -30.910 1.00 83.54 N +ATOM 784 N ASP A 578 -1.257 31.993 -34.174 1.00 77.48 N +ATOM 785 CA ASP A 578 -1.898 33.089 -34.891 1.00 77.48 C +ATOM 786 C ASP A 578 -1.160 33.401 -36.175 1.00 77.48 C +ATOM 787 O ASP A 578 -1.791 33.715 -37.177 1.00 77.48 O +ATOM 788 CB ASP A 578 -1.963 34.344 -34.031 1.00 71.50 C +ATOM 789 CG ASP A 578 -2.823 34.161 -32.799 1.00 71.50 C +ATOM 790 OD1 ASP A 578 -3.757 33.327 -32.842 1.00 71.50 O +ATOM 791 OD2 ASP A 578 -2.574 34.860 -31.790 1.00 71.50 O +ATOM 792 N SER A 579 0.173 33.323 -36.143 1.00 56.15 N +ATOM 793 CA SER A 579 1.009 33.569 -37.324 1.00 56.15 C +ATOM 794 C SER A 579 0.706 32.576 -38.429 1.00 56.15 C +ATOM 795 O SER A 579 0.644 32.941 -39.594 1.00 56.15 O +ATOM 796 CB SER A 579 2.483 33.438 -36.982 1.00 66.41 C +ATOM 797 OG SER A 579 2.851 34.450 -36.082 1.00 66.41 O +ATOM 798 N LEU A 580 0.534 31.314 -38.060 1.00 71.89 N +ATOM 799 CA LEU A 580 0.238 30.292 -39.041 1.00 71.89 C +ATOM 800 C LEU A 580 -1.193 30.357 -39.583 1.00 71.89 C +ATOM 801 O LEU A 580 -1.447 29.946 -40.716 1.00 71.89 O +ATOM 802 CB LEU A 580 0.512 28.903 -38.457 1.00 68.73 C +ATOM 803 CG LEU A 580 1.959 28.430 -38.284 1.00 68.73 C +ATOM 804 CD1 LEU A 580 2.748 28.731 -39.539 1.00 68.73 C +ATOM 805 CD2 LEU A 580 2.589 29.115 -37.104 1.00 68.73 C +ATOM 806 N VAL A 581 -2.137 30.861 -38.799 1.00 74.62 N +ATOM 807 CA VAL A 581 -3.512 30.927 -39.288 1.00 74.62 C +ATOM 808 C VAL A 581 -3.823 32.321 -39.840 1.00 74.62 C +ATOM 809 O VAL A 581 -2.925 33.196 -39.805 1.00 74.62 O +ATOM 810 CB VAL A 581 -4.534 30.551 -38.170 1.00 72.76 C +ATOM 811 CG1 VAL A 581 -5.931 30.513 -38.726 1.00 72.76 C +ATOM 812 CG2 VAL A 581 -4.208 29.186 -37.604 1.00 72.76 C Added: SwiftApps/modFTdock/input/indata/2of5-8.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2of5-8.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2of5-8.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,786 @@ +ATOM 1 N MET H 777 -52.261 80.895 19.312 1.00131.83 N +ATOM 2 CA MET H 777 -52.920 80.913 20.659 1.00135.10 C +ATOM 3 C MET H 777 -54.358 81.483 20.639 1.00134.56 C +ATOM 4 O MET H 777 -54.800 82.150 21.587 1.00133.41 O +ATOM 5 CB MET H 777 -52.065 81.715 21.658 1.00136.66 C +ATOM 6 CG MET H 777 -52.660 81.765 23.081 1.00139.18 C +ATOM 7 SD MET H 777 -51.817 82.831 24.290 1.00141.95 S +ATOM 8 CE MET H 777 -51.848 81.753 25.776 1.00140.57 C +ATOM 9 N ASN H 778 -55.090 81.200 19.565 1.00133.88 N +ATOM 10 CA ASN H 778 -56.456 81.694 19.421 1.00132.83 C +ATOM 11 C ASN H 778 -56.825 81.570 17.942 1.00131.85 C +ATOM 12 O ASN H 778 -57.175 82.557 17.293 1.00131.48 O +ATOM 13 CB ASN H 778 -56.526 83.169 19.868 1.00133.37 C +ATOM 14 CG ASN H 778 -57.952 83.661 20.087 1.00134.14 C +ATOM 15 OD1 ASN H 778 -58.682 83.137 20.932 1.00134.52 O +ATOM 16 ND2 ASN H 778 -58.350 84.681 19.328 1.00132.97 N +ATOM 17 N LEU H 779 -56.739 80.354 17.408 1.00130.23 N +ATOM 18 CA LEU H 779 -57.052 80.132 16.002 1.00129.23 C +ATOM 19 C LEU H 779 -58.228 79.207 15.776 1.00129.32 C +ATOM 20 O LEU H 779 -58.268 78.103 16.321 1.00129.36 O +ATOM 21 CB LEU H 779 -55.843 79.551 15.272 1.00128.64 C +ATOM 22 CG LEU H 779 -54.704 80.479 14.861 1.00127.68 C +ATOM 23 CD1 LEU H 779 -55.224 81.477 13.851 1.00127.52 C +ATOM 24 CD2 LEU H 779 -54.126 81.173 16.083 1.00128.68 C +ATOM 25 N GLY H 780 -59.178 79.660 14.961 1.00129.14 N +ATOM 26 CA GLY H 780 -60.341 78.848 14.642 1.00129.13 C +ATOM 27 C GLY H 780 -61.506 78.846 15.621 1.00128.86 C +ATOM 28 O GLY H 780 -61.349 79.114 16.814 1.00127.71 O +ATOM 29 N ASP H 781 -62.689 78.534 15.098 1.00128.99 N +ATOM 30 CA ASP H 781 -63.909 78.476 15.897 1.00128.66 C +ATOM 31 C ASP H 781 -64.140 77.037 16.353 1.00127.30 C +ATOM 32 O ASP H 781 -63.338 76.157 16.046 1.00127.55 O +ATOM 33 CB ASP H 781 -65.099 78.991 15.071 1.00130.06 C +ATOM 34 CG ASP H 781 -65.256 78.267 13.736 1.00131.10 C +ATOM 35 OD1 ASP H 781 -64.255 77.701 13.233 1.00129.58 O +ATOM 36 OD2 ASP H 781 -66.383 78.283 13.184 1.00131.61 O +ATOM 37 N ALA H 782 -65.221 76.795 17.087 1.00125.48 N +ATOM 38 CA ALA H 782 -65.505 75.449 17.579 1.00124.38 C +ATOM 39 C ALA H 782 -66.068 74.528 16.495 1.00123.90 C +ATOM 40 O ALA H 782 -66.009 73.299 16.611 1.00122.48 O +ATOM 41 CB ALA H 782 -66.460 75.519 18.766 1.00123.43 C +ATOM 42 N GLU H 783 -66.613 75.122 15.440 1.00124.30 N +ATOM 43 CA GLU H 783 -67.174 74.343 14.342 1.00125.34 C +ATOM 44 C GLU H 783 -66.039 73.572 13.679 1.00123.89 C +ATOM 45 O GLU H 783 -66.127 72.361 13.480 1.00123.58 O +ATOM 46 CB GLU H 783 -67.846 75.273 13.318 1.00128.20 C +ATOM 47 CG GLU H 783 -68.534 74.564 12.138 1.00133.06 C +ATOM 48 CD GLU H 783 -69.903 73.961 12.487 1.00136.15 C +ATOM 49 OE1 GLU H 783 -70.510 73.322 11.592 1.00137.12 O +ATOM 50 OE2 GLU H 783 -70.374 74.126 13.641 1.00136.82 O +ATOM 51 N THR H 784 -64.969 74.296 13.365 1.00122.34 N +ATOM 52 CA THR H 784 -63.779 73.746 12.714 1.00121.09 C +ATOM 53 C THR H 784 -62.858 72.996 13.674 1.00118.97 C +ATOM 54 O THR H 784 -62.474 71.846 13.436 1.00118.04 O +ATOM 55 CB THR H 784 -62.949 74.871 12.090 1.00121.89 C +ATOM 56 OG1 THR H 784 -63.825 75.774 11.403 1.00123.02 O +ATOM 57 CG2 THR H 784 -61.912 74.299 11.120 1.00121.61 C +ATOM 58 N GLY H 785 -62.502 73.684 14.752 1.00116.50 N +ATOM 59 CA GLY H 785 -61.619 73.135 15.758 1.00112.91 C +ATOM 60 C GLY H 785 -60.637 74.238 16.063 1.00110.68 C +ATOM 61 O GLY H 785 -60.556 75.203 15.305 1.00111.14 O +ATOM 62 N PHE H 786 -59.900 74.119 17.159 1.00108.47 N +ATOM 63 CA PHE H 786 -58.925 75.143 17.508 1.00107.06 C +ATOM 64 C PHE H 786 -57.489 74.697 17.255 1.00105.17 C +ATOM 65 O PHE H 786 -57.244 73.670 16.627 1.00105.90 O +ATOM 66 CB PHE H 786 -59.101 75.560 18.971 1.00108.48 C +ATOM 67 CG PHE H 786 -60.256 76.496 19.193 1.00110.36 C +ATOM 68 CD1 PHE H 786 -61.549 76.138 18.814 1.00111.73 C +ATOM 69 CD2 PHE H 786 -60.048 77.757 19.740 1.00110.96 C +ATOM 70 CE1 PHE H 786 -62.617 77.027 18.973 1.00111.52 C +ATOM 71 CE2 PHE H 786 -61.110 78.654 19.902 1.00111.64 C +ATOM 72 CZ PHE H 786 -62.397 78.286 19.516 1.00111.60 C +ATOM 73 N LEU H 787 -56.539 75.492 17.724 1.00102.06 N +ATOM 74 CA LEU H 787 -55.131 75.177 17.562 1.00 99.03 C +ATOM 75 C LEU H 787 -54.365 75.839 18.674 1.00 98.46 C +ATOM 76 O LEU H 787 -54.168 77.050 18.650 1.00100.07 O +ATOM 77 CB LEU H 787 -54.612 75.695 16.229 1.00 96.84 C +ATOM 78 CG LEU H 787 -54.563 74.682 15.097 1.00 95.82 C +ATOM 79 CD1 LEU H 787 -53.886 75.306 13.899 1.00 94.30 C +ATOM 80 CD2 LEU H 787 -53.793 73.453 15.553 1.00 95.79 C +ATOM 81 N THR H 788 -53.932 75.064 19.657 1.00 96.64 N +ATOM 82 CA THR H 788 -53.198 75.661 20.754 1.00 96.69 C +ATOM 83 C THR H 788 -51.821 76.090 20.315 1.00 96.28 C +ATOM 84 O THR H 788 -51.464 76.009 19.144 1.00 94.71 O +ATOM 85 CB THR H 788 -52.991 74.693 21.912 1.00 97.03 C +ATOM 86 OG1 THR H 788 -52.365 73.502 21.420 1.00 96.23 O +ATOM 87 CG2 THR H 788 -54.311 74.375 22.587 1.00 97.96 C +ATOM 88 N GLN H 789 -51.045 76.548 21.285 1.00 96.69 N +ATOM 89 CA GLN H 789 -49.688 76.948 21.017 1.00 96.77 C +ATOM 90 C GLN H 789 -48.913 75.644 20.870 1.00 97.25 C +ATOM 91 O GLN H 789 -48.197 75.458 19.893 1.00 98.07 O +ATOM 92 CB GLN H 789 -49.148 77.802 22.168 1.00 95.42 C +ATOM 93 CG GLN H 789 -50.027 79.009 22.450 1.00 94.61 C +ATOM 94 CD GLN H 789 -49.267 80.195 22.988 1.00 93.17 C +ATOM 95 OE1 GLN H 789 -48.665 80.133 24.061 1.00 90.97 O +ATOM 96 NE2 GLN H 789 -49.296 81.296 22.241 1.00 93.27 N +ATOM 97 N SER H 790 -49.076 74.727 21.822 1.00 97.09 N +ATOM 98 CA SER H 790 -48.389 73.444 21.736 1.00 96.83 C +ATOM 99 C SER H 790 -48.577 72.896 20.322 1.00 97.18 C +ATOM 100 O SER H 790 -47.707 72.213 19.782 1.00 97.42 O +ATOM 101 CB SER H 790 -48.967 72.459 22.755 1.00 97.19 C +ATOM 102 OG SER H 790 -48.459 72.705 24.054 1.00 98.40 O +ATOM 103 N ASN H 791 -49.724 73.213 19.728 1.00 96.91 N +ATOM 104 CA ASN H 791 -50.053 72.771 18.374 1.00 96.48 C +ATOM 105 C ASN H 791 -49.183 73.472 17.326 1.00 93.99 C +ATOM 106 O ASN H 791 -48.316 72.864 16.699 1.00 94.48 O +ATOM 107 CB ASN H 791 -51.538 73.050 18.071 1.00 99.14 C +ATOM 108 CG ASN H 791 -52.449 71.867 18.396 1.00100.76 C +ATOM 109 OD1 ASN H 791 -53.651 71.919 18.139 1.00101.97 O +ATOM 110 ND2 ASN H 791 -51.880 70.800 18.954 1.00101.53 N +ATOM 111 N LEU H 792 -49.428 74.758 17.135 1.00 90.20 N +ATOM 112 CA LEU H 792 -48.676 75.524 16.166 1.00 86.77 C +ATOM 113 C LEU H 792 -47.186 75.436 16.478 1.00 85.25 C +ATOM 114 O LEU H 792 -46.359 75.479 15.584 1.00 85.04 O +ATOM 115 CB LEU H 792 -49.138 76.980 16.204 1.00 85.49 C +ATOM 116 CG LEU H 792 -48.864 77.868 14.993 1.00 84.84 C +ATOM 117 CD1 LEU H 792 -49.626 77.366 13.773 1.00 82.87 C +ATOM 118 CD2 LEU H 792 -49.279 79.281 15.333 1.00 84.85 C +ATOM 119 N LEU H 793 -46.847 75.302 17.753 1.00 84.45 N +ATOM 120 CA LEU H 793 -45.451 75.228 18.172 1.00 82.97 C +ATOM 121 C LEU H 793 -44.779 74.045 17.504 1.00 81.29 C +ATOM 122 O LEU H 793 -43.593 74.093 17.190 1.00 80.07 O +ATOM 123 CB LEU H 793 -45.362 75.083 19.699 1.00 85.25 C +ATOM 124 CG LEU H 793 -44.133 75.578 20.483 1.00 86.88 C +ATOM 125 CD1 LEU H 793 -42.847 75.104 19.806 1.00 88.23 C +ATOM 126 CD2 LEU H 793 -44.157 77.092 20.567 1.00 86.61 C +ATOM 127 N SER H 794 -45.554 72.986 17.287 1.00 81.22 N +ATOM 128 CA SER H 794 -45.064 71.760 16.654 1.00 81.16 C +ATOM 129 C SER H 794 -45.071 71.876 15.140 1.00 80.75 C +ATOM 130 O SER H 794 -44.116 71.473 14.480 1.00 81.34 O +ATOM 131 CB SER H 794 -45.925 70.585 17.069 1.00 81.60 C +ATOM 132 OG SER H 794 -46.059 70.544 18.479 1.00 84.94 O +ATOM 133 N VAL H 795 -46.159 72.412 14.590 1.00 79.88 N +ATOM 134 CA VAL H 795 -46.258 72.620 13.152 1.00 78.50 C +ATOM 135 C VAL H 795 -44.954 73.294 12.753 1.00 80.55 C +ATOM 136 O VAL H 795 -44.455 73.097 11.656 1.00 82.64 O +ATOM 137 CB VAL H 795 -47.401 73.570 12.814 1.00 75.53 C +ATOM 138 CG1 VAL H 795 -47.648 73.594 11.324 1.00 72.27 C +ATOM 139 CG2 VAL H 795 -48.617 73.165 13.572 1.00 74.35 C +ATOM 140 N ALA H 796 -44.407 74.086 13.671 1.00 81.76 N +ATOM 141 CA ALA H 796 -43.160 74.807 13.453 1.00 83.36 C +ATOM 142 C ALA H 796 -41.971 73.864 13.545 1.00 84.81 C +ATOM 143 O ALA H 796 -41.088 73.875 12.686 1.00 84.50 O +ATOM 144 CB ALA H 796 -43.020 75.910 14.475 1.00 83.48 C +ATOM 145 N GLY H 797 -41.944 73.054 14.596 1.00 86.48 N +ATOM 146 CA GLY H 797 -40.855 72.106 14.753 1.00 89.21 C +ATOM 147 C GLY H 797 -40.807 71.101 13.606 1.00 90.38 C +ATOM 148 O GLY H 797 -39.765 70.489 13.347 1.00 89.91 O +ATOM 149 N ARG H 798 -41.935 70.940 12.912 1.00 91.15 N +ATOM 150 CA ARG H 798 -42.033 70.004 11.792 1.00 91.99 C +ATOM 151 C ARG H 798 -41.548 70.631 10.453 1.00 91.68 C +ATOM 152 O ARG H 798 -41.354 69.935 9.453 1.00 90.67 O +ATOM 153 CB ARG H 798 -43.487 69.494 11.683 1.00 91.27 C +ATOM 154 CG ARG H 798 -43.611 68.004 11.333 1.00 93.10 C +ATOM 155 CD ARG H 798 -43.735 67.073 12.553 1.00 94.30 C +ATOM 156 NE ARG H 798 -45.105 66.568 12.699 1.00 98.55 N +ATOM 157 CZ ARG H 798 -45.775 65.925 11.735 1.00101.89 C +ATOM 158 NH1 ARG H 798 -45.190 65.704 10.559 1.00102.38 N +ATOM 159 NH2 ARG H 798 -47.039 65.527 11.918 1.00 99.11 N +ATOM 160 N LEU H 799 -41.341 71.946 10.447 1.00 91.47 N +ATOM 161 CA LEU H 799 -40.874 72.651 9.256 1.00 90.62 C +ATOM 162 C LEU H 799 -39.350 72.867 9.275 1.00 91.88 C +ATOM 163 O LEU H 799 -38.746 73.066 10.336 1.00 92.04 O +ATOM 164 CB LEU H 799 -41.585 73.998 9.140 1.00 87.31 C +ATOM 165 CG LEU H 799 -43.064 73.955 8.780 1.00 84.57 C +ATOM 166 CD1 LEU H 799 -43.603 75.358 8.655 1.00 84.66 C +ATOM 167 CD2 LEU H 799 -43.231 73.233 7.474 1.00 85.51 C +ATOM 168 N GLY H 800 -38.733 72.829 8.098 1.00 91.74 N +ATOM 169 CA GLY H 800 -37.296 73.012 8.021 1.00 92.82 C +ATOM 170 C GLY H 800 -36.872 74.243 7.242 1.00 93.70 C +ATOM 171 O GLY H 800 -37.245 75.366 7.578 1.00 95.14 O +ATOM 172 N LEU H 801 -36.082 74.046 6.196 1.00 92.51 N +ATOM 173 CA LEU H 801 -35.634 75.173 5.404 1.00 90.70 C +ATOM 174 C LEU H 801 -36.664 75.532 4.352 1.00 89.86 C +ATOM 175 O LEU H 801 -36.386 76.300 3.437 1.00 91.48 O +ATOM 176 CB LEU H 801 -34.284 74.853 4.760 1.00 91.22 C +ATOM 177 CG LEU H 801 -33.121 74.984 5.754 1.00 91.90 C +ATOM 178 CD1 LEU H 801 -31.819 74.422 5.189 1.00 91.39 C +ATOM 179 CD2 LEU H 801 -32.968 76.447 6.109 1.00 91.01 C +ATOM 180 N ASP H 802 -37.864 74.984 4.490 1.00 87.97 N +ATOM 181 CA ASP H 802 -38.923 75.250 3.530 1.00 87.12 C +ATOM 182 C ASP H 802 -39.935 76.159 4.139 1.00 86.61 C +ATOM 183 O ASP H 802 -40.989 76.404 3.552 1.00 86.05 O +ATOM 184 CB ASP H 802 -39.622 73.968 3.110 1.00 89.37 C +ATOM 185 CG ASP H 802 -40.046 73.131 4.291 1.00 91.41 C +ATOM 186 OD1 ASP H 802 -40.697 72.095 4.057 1.00 92.23 O +ATOM 187 OD2 ASP H 802 -39.723 73.502 5.445 1.00 92.76 O +ATOM 188 N TRP H 803 -39.625 76.637 5.336 1.00 86.02 N +ATOM 189 CA TRP H 803 -40.512 77.556 6.010 1.00 86.57 C +ATOM 190 C TRP H 803 -40.933 78.692 5.060 1.00 87.91 C +ATOM 191 O TRP H 803 -42.117 78.987 4.927 1.00 87.92 O +ATOM 192 CB TRP H 803 -39.825 78.130 7.251 1.00 86.28 C +ATOM 193 CG TRP H 803 -39.557 79.607 7.207 1.00 89.18 C +ATOM 194 CD1 TRP H 803 -40.400 80.607 6.763 1.00 91.62 C +ATOM 195 CD2 TRP H 803 -38.396 80.260 7.678 1.00 89.77 C +ATOM 196 NE1 TRP H 803 -39.821 81.838 6.933 1.00 91.99 N +ATOM 197 CE2 TRP H 803 -38.590 81.655 7.499 1.00 92.45 C +ATOM 198 CE3 TRP H 803 -37.211 79.812 8.244 1.00 91.28 C +ATOM 199 CZ2 TRP H 803 -37.636 82.594 7.872 1.00 94.58 C +ATOM 200 CZ3 TRP H 803 -36.267 80.741 8.613 1.00 94.08 C +ATOM 201 CH2 TRP H 803 -36.481 82.119 8.428 1.00 94.99 C +ATOM 202 N PRO H 804 -39.964 79.352 4.391 1.00 88.53 N +ATOM 203 CA PRO H 804 -40.351 80.437 3.497 1.00 87.62 C +ATOM 204 C PRO H 804 -41.454 80.025 2.554 1.00 88.17 C +ATOM 205 O PRO H 804 -42.413 80.759 2.367 1.00 89.17 O +ATOM 206 CB PRO H 804 -39.054 80.760 2.770 1.00 88.59 C +ATOM 207 CG PRO H 804 -38.025 80.456 3.779 1.00 88.18 C +ATOM 208 CD PRO H 804 -38.508 79.140 4.324 1.00 89.00 C +ATOM 209 N ALA H 805 -41.320 78.844 1.964 1.00 88.14 N +ATOM 210 CA ALA H 805 -42.324 78.365 1.031 1.00 89.09 C +ATOM 211 C ALA H 805 -43.712 78.452 1.650 1.00 89.46 C +ATOM 212 O ALA H 805 -44.657 78.933 1.015 1.00 90.33 O +ATOM 213 CB ALA H 805 -42.021 76.942 0.627 1.00 90.00 C +ATOM 214 N VAL H 806 -43.835 77.991 2.889 1.00 87.89 N +ATOM 215 CA VAL H 806 -45.118 78.026 3.569 1.00 87.58 C +ATOM 216 C VAL H 806 -45.614 79.471 3.706 1.00 88.80 C +ATOM 217 O VAL H 806 -46.575 79.860 3.049 1.00 89.77 O +ATOM 218 CB VAL H 806 -45.020 77.373 4.957 1.00 86.85 C +ATOM 219 CG1 VAL H 806 -46.374 77.291 5.583 1.00 86.61 C +ATOM 220 CG2 VAL H 806 -44.427 75.994 4.838 1.00 85.66 C +ATOM 221 N ALA H 807 -44.952 80.268 4.540 1.00 89.75 N +ATOM 222 CA ALA H 807 -45.336 81.661 4.750 1.00 90.26 C +ATOM 223 C ALA H 807 -45.617 82.447 3.471 1.00 91.51 C +ATOM 224 O ALA H 807 -46.216 83.513 3.524 1.00 91.00 O +ATOM 225 CB ALA H 807 -44.284 82.373 5.550 1.00 89.12 C +ATOM 226 N LEU H 808 -45.176 81.958 2.320 1.00 95.15 N +ATOM 227 CA LEU H 808 -45.472 82.686 1.084 1.00 98.91 C +ATOM 228 C LEU H 808 -46.910 82.379 0.671 1.00101.03 C +ATOM 229 O LEU H 808 -47.671 83.305 0.391 1.00101.88 O +ATOM 230 CB LEU H 808 -44.488 82.341 -0.052 1.00 96.98 C +ATOM 231 CG LEU H 808 -43.112 83.032 0.005 1.00 94.74 C +ATOM 232 CD1 LEU H 808 -42.482 83.000 -1.374 1.00 92.86 C +ATOM 233 CD2 LEU H 808 -43.252 84.476 0.464 1.00 92.92 C +ATOM 234 N HIS H 809 -47.279 81.092 0.648 1.00102.43 N +ATOM 235 CA HIS H 809 -48.647 80.689 0.322 1.00103.47 C +ATOM 236 C HIS H 809 -49.605 81.134 1.422 1.00104.38 C +ATOM 237 O HIS H 809 -50.820 81.187 1.212 1.00104.45 O +ATOM 238 CB HIS H 809 -48.762 79.186 0.194 1.00104.04 C +ATOM 239 CG HIS H 809 -48.299 78.662 -1.119 1.00108.79 C +ATOM 240 ND1 HIS H 809 -47.098 78.005 -1.274 1.00110.90 N +ATOM 241 CD2 HIS H 809 -48.877 78.691 -2.343 1.00110.74 C +ATOM 242 CE1 HIS H 809 -46.956 77.648 -2.539 1.00111.58 C +ATOM 243 NE2 HIS H 809 -48.022 78.051 -3.209 1.00111.65 N +ATOM 244 N LEU H 810 -49.052 81.423 2.601 1.00103.99 N +ATOM 245 CA LEU H 810 -49.844 81.879 3.740 1.00103.59 C +ATOM 246 C LEU H 810 -50.232 83.326 3.540 1.00103.48 C +ATOM 247 O LEU H 810 -51.191 83.803 4.141 1.00103.95 O +ATOM 248 CB LEU H 810 -49.052 81.783 5.040 1.00103.71 C +ATOM 249 CG LEU H 810 -49.339 80.651 6.019 1.00103.79 C +ATOM 250 CD1 LEU H 810 -48.633 80.973 7.324 1.00102.46 C +ATOM 251 CD2 LEU H 810 -50.839 80.507 6.249 1.00104.76 C +ATOM 252 N GLY H 811 -49.459 84.025 2.712 1.00103.28 N +ATOM 253 CA GLY H 811 -49.732 85.424 2.438 1.00102.66 C +ATOM 254 C GLY H 811 -48.637 86.401 2.839 1.00101.63 C +ATOM 255 O GLY H 811 -48.778 87.608 2.638 1.00101.81 O +ATOM 256 N VAL H 812 -47.550 85.904 3.416 1.00100.49 N +ATOM 257 CA VAL H 812 -46.463 86.788 3.813 1.00 99.88 C +ATOM 258 C VAL H 812 -45.700 87.234 2.555 1.00101.46 C +ATOM 259 O VAL H 812 -45.569 86.463 1.590 1.00101.72 O +ATOM 260 CB VAL H 812 -45.495 86.078 4.789 1.00 98.05 C +ATOM 261 CG1 VAL H 812 -44.405 87.035 5.238 1.00 97.05 C +ATOM 262 CG2 VAL H 812 -46.259 85.556 5.983 1.00 97.00 C +ATOM 263 N SER H 813 -45.218 88.479 2.568 1.00100.92 N +ATOM 264 CA SER H 813 -44.476 89.042 1.443 1.00 99.36 C +ATOM 265 C SER H 813 -43.024 88.607 1.511 1.00 99.84 C +ATOM 266 O SER H 813 -42.459 88.460 2.600 1.00 97.35 O +ATOM 267 CB SER H 813 -44.517 90.558 1.487 1.00 99.07 C +ATOM 268 OG SER H 813 -43.762 91.023 2.591 1.00 99.29 O +ATOM 269 N TYR H 814 -42.421 88.419 0.338 1.00100.53 N +ATOM 270 CA TYR H 814 -41.030 88.003 0.248 1.00 99.69 C +ATOM 271 C TYR H 814 -40.234 89.020 1.031 1.00 98.58 C +ATOM 272 O TYR H 814 -39.228 88.705 1.669 1.00 98.75 O +ATOM 273 CB TYR H 814 -40.559 87.992 -1.208 1.00100.88 C +ATOM 274 CG TYR H 814 -39.161 87.440 -1.379 1.00103.52 C +ATOM 275 CD1 TYR H 814 -38.866 86.137 -0.993 1.00104.44 C +ATOM 276 CD2 TYR H 814 -38.121 88.232 -1.878 1.00103.86 C +ATOM 277 CE1 TYR H 814 -37.577 85.630 -1.088 1.00106.42 C +ATOM 278 CE2 TYR H 814 -36.820 87.733 -1.976 1.00105.49 C +ATOM 279 CZ TYR H 814 -36.558 86.426 -1.574 1.00107.29 C +ATOM 280 OH TYR H 814 -35.284 85.902 -1.627 1.00108.83 O +ATOM 281 N ARG H 815 -40.714 90.253 0.983 1.00 97.01 N +ATOM 282 CA ARG H 815 -40.062 91.338 1.679 1.00 95.69 C +ATOM 283 C ARG H 815 -40.014 91.018 3.163 1.00 95.37 C +ATOM 284 O ARG H 815 -39.007 91.260 3.821 1.00 93.80 O +ATOM 285 CB ARG H 815 -40.831 92.637 1.425 1.00 95.06 C +ATOM 286 CG ARG H 815 -40.071 93.913 1.750 1.00 93.39 C +ATOM 287 CD ARG H 815 -39.952 94.131 3.234 1.00 93.12 C +ATOM 288 NE ARG H 815 -39.426 95.453 3.542 1.00 94.40 N +ATOM 289 CZ ARG H 815 -39.371 95.960 4.768 1.00 95.35 C +ATOM 290 NH1 ARG H 815 -39.815 95.245 5.790 1.00 95.79 N +ATOM 291 NH2 ARG H 815 -38.872 97.174 4.973 1.00 95.25 N +ATOM 292 N GLU H 816 -41.100 90.450 3.680 1.00 96.80 N +ATOM 293 CA GLU H 816 -41.183 90.117 5.102 1.00 98.77 C +ATOM 294 C GLU H 816 -40.556 88.788 5.490 1.00 97.31 C +ATOM 295 O GLU H 816 -40.074 88.621 6.616 1.00 95.71 O +ATOM 296 CB GLU H 816 -42.638 90.156 5.570 1.00102.24 C +ATOM 297 CG GLU H 816 -43.063 91.526 6.104 1.00108.52 C +ATOM 298 CD GLU H 816 -42.283 91.950 7.358 1.00111.95 C +ATOM 299 OE1 GLU H 816 -42.350 91.226 8.384 1.00112.79 O +ATOM 300 OE2 GLU H 816 -41.608 93.008 7.313 1.00113.17 O +ATOM 301 N VAL H 817 -40.577 87.834 4.567 1.00 95.86 N +ATOM 302 CA VAL H 817 -39.966 86.549 4.840 1.00 92.22 C +ATOM 303 C VAL H 817 -38.528 86.949 5.120 1.00 92.45 C +ATOM 304 O VAL H 817 -37.931 86.531 6.115 1.00 92.80 O +ATOM 305 CB VAL H 817 -40.021 85.618 3.610 1.00 88.84 C +ATOM 306 CG1 VAL H 817 -39.728 84.199 4.028 1.00 87.45 C +ATOM 307 CG2 VAL H 817 -41.378 85.706 2.944 1.00 86.81 C +ATOM 308 N GLN H 818 -38.004 87.811 4.250 1.00 92.45 N +ATOM 309 CA GLN H 818 -36.636 88.299 4.354 1.00 93.53 C +ATOM 310 C GLN H 818 -36.353 89.075 5.635 1.00 93.10 C +ATOM 311 O GLN H 818 -35.294 88.913 6.240 1.00 91.32 O +ATOM 312 CB GLN H 818 -36.293 89.183 3.149 1.00 95.73 C +ATOM 313 CG GLN H 818 -34.917 89.867 3.275 1.00 99.17 C +ATOM 314 CD GLN H 818 -34.645 90.934 2.212 1.00 99.75 C +ATOM 315 OE1 GLN H 818 -33.688 91.702 2.328 1.00 99.04 O +ATOM 316 NE2 GLN H 818 -35.480 90.981 1.175 1.00100.06 N +ATOM 317 N ARG H 819 -37.293 89.925 6.038 1.00 93.96 N +ATOM 318 CA ARG H 819 -37.116 90.730 7.243 1.00 95.01 C +ATOM 319 C ARG H 819 -36.898 89.811 8.435 1.00 95.58 C +ATOM 320 O ARG H 819 -36.165 90.155 9.365 1.00 95.77 O +ATOM 321 CB ARG H 819 -38.349 91.608 7.488 1.00 94.85 C +ATOM 322 CG ARG H 819 -38.161 92.693 8.542 1.00 95.07 C +ATOM 323 CD ARG H 819 -39.422 92.851 9.379 1.00 98.42 C +ATOM 324 NE ARG H 819 -39.340 92.069 10.614 1.00102.50 N +ATOM 325 CZ ARG H 819 -40.361 91.443 11.202 1.00103.51 C +ATOM 326 NH1 ARG H 819 -41.581 91.488 10.673 1.00103.21 N +ATOM 327 NH2 ARG H 819 -40.160 90.778 12.339 1.00102.41 N +ATOM 328 N ILE H 820 -37.537 88.639 8.388 1.00 95.90 N +ATOM 329 CA ILE H 820 -37.456 87.638 9.454 1.00 95.09 C +ATOM 330 C ILE H 820 -36.172 86.840 9.392 1.00 95.60 C +ATOM 331 O ILE H 820 -35.475 86.704 10.399 1.00 93.89 O +ATOM 332 CB ILE H 820 -38.614 86.640 9.374 1.00 94.02 C +ATOM 333 CG1 ILE H 820 -39.935 87.393 9.309 1.00 92.18 C +ATOM 334 CG2 ILE H 820 -38.597 85.731 10.590 1.00 93.16 C +ATOM 335 CD1 ILE H 820 -41.068 86.529 8.906 1.00 91.96 C +ATOM 336 N ARG H 821 -35.880 86.300 8.208 1.00 96.80 N +ATOM 337 CA ARG H 821 -34.668 85.512 7.998 1.00 98.95 C +ATOM 338 C ARG H 821 -33.495 86.314 8.569 1.00 99.58 C +ATOM 339 O ARG H 821 -32.531 85.762 9.107 1.00 99.64 O +ATOM 340 CB ARG H 821 -34.449 85.254 6.495 1.00 99.88 C +ATOM 341 CG ARG H 821 -33.416 84.162 6.160 1.00103.51 C +ATOM 342 CD ARG H 821 -33.028 84.139 4.663 1.00107.55 C +ATOM 343 NE ARG H 821 -34.183 83.994 3.764 1.00111.35 N +ATOM 344 CZ ARG H 821 -34.433 82.926 3.001 1.00112.91 C +ATOM 345 NH1 ARG H 821 -33.603 81.883 3.017 1.00113.64 N +ATOM 346 NH2 ARG H 821 -35.515 82.895 2.220 1.00110.39 N +ATOM 347 N HIS H 822 -33.608 87.632 8.477 1.00 99.64 N +ATOM 348 CA HIS H 822 -32.560 88.517 8.949 1.00 99.10 C +ATOM 349 C HIS H 822 -32.523 88.729 10.464 1.00 98.50 C +ATOM 350 O HIS H 822 -31.455 88.639 11.075 1.00 96.90 O +ATOM 351 CB HIS H 822 -32.682 89.873 8.238 1.00100.12 C +ATOM 352 CG HIS H 822 -31.584 90.832 8.579 1.00100.82 C +ATOM 353 ND1 HIS H 822 -30.276 90.632 8.190 1.00100.08 N +ATOM 354 CD2 HIS H 822 -31.585 91.953 9.339 1.00 99.46 C +ATOM 355 CE1 HIS H 822 -29.518 91.585 8.703 1.00 99.75 C +ATOM 356 NE2 HIS H 822 -30.287 92.398 9.405 1.00 99.25 N +ATOM 357 N GLU H 823 -33.682 89.008 11.062 1.00 98.55 N +ATOM 358 CA GLU H 823 -33.770 89.277 12.498 1.00 98.38 C +ATOM 359 C GLU H 823 -33.304 88.129 13.389 1.00 97.81 C +ATOM 360 O GLU H 823 -33.012 88.340 14.566 1.00 96.80 O +ATOM 361 CB GLU H 823 -35.202 89.662 12.883 1.00 99.34 C +ATOM 362 CG GLU H 823 -35.308 90.388 14.228 1.00102.84 C +ATOM 363 CD GLU H 823 -36.754 90.562 14.709 1.00106.64 C +ATOM 364 OE1 GLU H 823 -37.662 90.800 13.873 1.00108.00 O +ATOM 365 OE2 GLU H 823 -36.984 90.474 15.934 1.00107.51 O +ATOM 366 N PHE H 824 -33.234 86.924 12.829 1.00 97.52 N +ATOM 367 CA PHE H 824 -32.812 85.753 13.584 1.00 97.46 C +ATOM 368 C PHE H 824 -31.815 84.899 12.805 1.00101.67 C +ATOM 369 O PHE H 824 -31.709 83.700 13.036 1.00102.50 O +ATOM 370 CB PHE H 824 -34.028 84.904 13.937 1.00 91.73 C +ATOM 371 CG PHE H 824 -35.134 85.676 14.585 1.00 88.00 C +ATOM 372 CD1 PHE H 824 -36.232 86.104 13.841 1.00 86.47 C +ATOM 373 CD2 PHE H 824 -35.068 86.017 15.932 1.00 84.04 C +ATOM 374 CE1 PHE H 824 -37.248 86.869 14.435 1.00 81.78 C +ATOM 375 CE2 PHE H 824 -36.075 86.776 16.520 1.00 81.56 C +ATOM 376 CZ PHE H 824 -37.165 87.203 15.767 1.00 79.49 C +ATOM 377 N ARG H 825 -31.079 85.524 11.891 1.00106.28 N +ATOM 378 CA ARG H 825 -30.099 84.837 11.048 1.00108.99 C +ATOM 379 C ARG H 825 -29.258 83.749 11.727 1.00108.87 C +ATOM 380 O ARG H 825 -28.693 82.882 11.053 1.00109.64 O +ATOM 381 CB ARG H 825 -29.167 85.868 10.390 1.00112.31 C +ATOM 382 CG ARG H 825 -28.419 86.786 11.361 1.00116.56 C +ATOM 383 CD ARG H 825 -27.395 87.644 10.612 1.00121.09 C +ATOM 384 NE ARG H 825 -26.628 88.536 11.484 1.00124.86 N +ATOM 385 CZ ARG H 825 -27.123 89.616 12.090 1.00127.28 C +ATOM 386 NH1 ARG H 825 -28.401 89.954 11.925 1.00126.42 N +ATOM 387 NH2 ARG H 825 -26.336 90.364 12.860 1.00128.18 N +ATOM 388 N ASP H 826 -29.179 83.786 13.052 1.00107.89 N +ATOM 389 CA ASP H 826 -28.390 82.806 13.804 1.00107.78 C +ATOM 390 C ASP H 826 -29.260 81.832 14.610 1.00105.51 C +ATOM 391 O ASP H 826 -28.787 81.189 15.556 1.00104.27 O +ATOM 392 CB ASP H 826 -27.452 83.546 14.751 1.00110.04 C +ATOM 393 CG ASP H 826 -28.144 84.701 15.457 1.00113.17 C +ATOM 394 OD1 ASP H 826 -27.578 85.214 16.450 1.00115.57 O +ATOM 395 OD2 ASP H 826 -29.249 85.101 15.013 1.00112.65 O +ATOM 396 N ASP H 827 -30.521 81.710 14.210 1.00102.52 N +ATOM 397 CA ASP H 827 -31.468 80.857 14.906 1.00 99.34 C +ATOM 398 C ASP H 827 -32.623 80.457 13.991 1.00 96.59 C +ATOM 399 O ASP H 827 -33.642 81.137 13.940 1.00 94.87 O +ATOM 400 CB ASP H 827 -31.980 81.629 16.124 1.00101.86 C +ATOM 401 CG ASP H 827 -33.085 80.913 16.861 1.00104.66 C +ATOM 402 OD1 ASP H 827 -33.424 81.364 17.983 1.00106.50 O +ATOM 403 OD2 ASP H 827 -33.617 79.915 16.326 1.00106.35 O +ATOM 404 N LEU H 828 -32.463 79.346 13.277 1.00 94.56 N +ATOM 405 CA LEU H 828 -33.499 78.872 12.363 1.00 92.38 C +ATOM 406 C LEU H 828 -34.813 78.697 13.078 1.00 92.84 C +ATOM 407 O LEU H 828 -35.854 79.089 12.572 1.00 93.66 O +ATOM 408 CB LEU H 828 -33.103 77.544 11.720 1.00 89.56 C +ATOM 409 CG LEU H 828 -34.117 76.934 10.749 1.00 87.26 C +ATOM 410 CD1 LEU H 828 -34.722 77.992 9.859 1.00 84.09 C +ATOM 411 CD2 LEU H 828 -33.428 75.890 9.911 1.00 86.84 C +ATOM 412 N ASP H 829 -34.762 78.098 14.260 1.00 93.58 N +ATOM 413 CA ASP H 829 -35.966 77.882 15.046 1.00 93.65 C +ATOM 414 C ASP H 829 -36.768 79.168 15.199 1.00 93.22 C +ATOM 415 O ASP H 829 -37.798 79.336 14.547 1.00 93.91 O +ATOM 416 CB ASP H 829 -35.610 77.314 16.429 1.00 94.97 C +ATOM 417 CG ASP H 829 -35.491 75.787 16.429 1.00 96.75 C +ATOM 418 OD1 ASP H 829 -36.518 75.102 16.203 1.00 97.05 O +ATOM 419 OD2 ASP H 829 -34.371 75.271 16.651 1.00 96.94 O +ATOM 420 N GLU H 830 -36.287 80.081 16.039 1.00 92.61 N +ATOM 421 CA GLU H 830 -36.990 81.335 16.281 1.00 92.22 C +ATOM 422 C GLU H 830 -37.421 81.999 14.988 1.00 91.30 C +ATOM 423 O GLU H 830 -38.366 82.780 14.971 1.00 91.87 O +ATOM 424 CB GLU H 830 -36.132 82.294 17.110 1.00 93.25 C +ATOM 425 CG GLU H 830 -36.879 83.535 17.620 1.00 96.73 C +ATOM 426 CD GLU H 830 -37.987 83.231 18.643 1.00 99.51 C +ATOM 427 OE1 GLU H 830 -37.673 82.733 19.748 1.00101.19 O +ATOM 428 OE2 GLU H 830 -39.175 83.504 18.346 1.00 99.33 O +ATOM 429 N GLN H 831 -36.741 81.699 13.896 1.00 90.83 N +ATOM 430 CA GLN H 831 -37.155 82.286 12.636 1.00 92.41 C +ATOM 431 C GLN H 831 -38.536 81.752 12.314 1.00 92.35 C +ATOM 432 O GLN H 831 -39.453 82.505 12.012 1.00 93.29 O +ATOM 433 CB GLN H 831 -36.183 81.926 11.510 1.00 92.88 C +ATOM 434 CG GLN H 831 -35.066 82.939 11.350 1.00 93.99 C +ATOM 435 CD GLN H 831 -33.986 82.519 10.377 1.00 92.02 C +ATOM 436 OE1 GLN H 831 -32.984 83.214 10.220 1.00 93.08 O +ATOM 437 NE2 GLN H 831 -34.174 81.389 9.728 1.00 90.37 N +ATOM 438 N ILE H 832 -38.689 80.441 12.415 1.00 92.15 N +ATOM 439 CA ILE H 832 -39.955 79.813 12.106 1.00 92.17 C +ATOM 440 C ILE H 832 -41.048 80.089 13.128 1.00 92.07 C +ATOM 441 O ILE H 832 -42.204 80.324 12.757 1.00 92.00 O +ATOM 442 CB ILE H 832 -39.784 78.305 11.952 1.00 92.60 C +ATOM 443 CG1 ILE H 832 -38.669 78.024 10.944 1.00 92.29 C +ATOM 444 CG2 ILE H 832 -41.097 77.687 11.470 1.00 94.03 C +ATOM 445 CD1 ILE H 832 -38.370 76.566 10.752 1.00 92.46 C +ATOM 446 N ARG H 833 -40.706 80.051 14.411 1.00 91.19 N +ATOM 447 CA ARG H 833 -41.725 80.316 15.408 1.00 91.28 C +ATOM 448 C ARG H 833 -42.242 81.707 15.101 1.00 92.73 C +ATOM 449 O ARG H 833 -43.429 81.888 14.808 1.00 93.19 O +ATOM 450 CB ARG H 833 -41.152 80.259 16.824 1.00 89.23 C +ATOM 451 CG ARG H 833 -40.398 78.988 17.089 1.00 90.94 C +ATOM 452 CD ARG H 833 -40.562 78.488 18.505 1.00 92.23 C +ATOM 453 NE ARG H 833 -39.269 78.122 19.074 1.00 93.54 N +ATOM 454 CZ ARG H 833 -38.377 79.015 19.487 1.00 94.30 C +ATOM 455 NH1 ARG H 833 -38.663 80.307 19.392 1.00 94.33 N +ATOM 456 NH2 ARG H 833 -37.204 78.628 19.981 1.00 93.56 N +ATOM 457 N HIS H 834 -41.332 82.681 15.121 1.00 93.13 N +ATOM 458 CA HIS H 834 -41.698 84.064 14.864 1.00 92.68 C +ATOM 459 C HIS H 834 -42.531 84.195 13.600 1.00 91.46 C +ATOM 460 O HIS H 834 -43.451 85.005 13.536 1.00 91.34 O +ATOM 461 CB HIS H 834 -40.453 84.946 14.765 1.00 94.45 C +ATOM 462 CG HIS H 834 -40.762 86.404 14.599 1.00 98.45 C +ATOM 463 ND1 HIS H 834 -41.371 86.914 13.471 1.00 99.09 N +ATOM 464 CD2 HIS H 834 -40.565 87.460 15.427 1.00 99.54 C +ATOM 465 CE1 HIS H 834 -41.536 88.218 13.611 1.00 99.52 C +ATOM 466 NE2 HIS H 834 -41.055 88.575 14.789 1.00100.23 N +ATOM 467 N MET H 835 -42.227 83.393 12.594 1.00 90.38 N +ATOM 468 CA MET H 835 -42.985 83.472 11.355 1.00 90.23 C +ATOM 469 C MET H 835 -44.434 83.099 11.610 1.00 90.36 C +ATOM 470 O MET H 835 -45.333 83.909 11.394 1.00 90.01 O +ATOM 471 CB MET H 835 -42.379 82.544 10.304 1.00 89.44 C +ATOM 472 CG MET H 835 -42.951 82.723 8.919 1.00 87.29 C +ATOM 473 SD MET H 835 -44.571 82.025 8.752 1.00 86.35 S +ATOM 474 CE MET H 835 -44.182 80.495 7.897 1.00 87.20 C +ATOM 475 N LEU H 836 -44.641 81.871 12.083 1.00 90.41 N +ATOM 476 CA LEU H 836 -45.968 81.338 12.377 1.00 90.27 C +ATOM 477 C LEU H 836 -46.767 82.119 13.421 1.00 91.03 C +ATOM 478 O LEU H 836 -47.892 82.542 13.153 1.00 90.63 O +ATOM 479 CB LEU H 836 -45.845 79.878 12.819 1.00 87.93 C +ATOM 480 CG LEU H 836 -46.114 78.785 11.785 1.00 86.09 C +ATOM 481 CD1 LEU H 836 -45.963 79.335 10.381 1.00 83.72 C +ATOM 482 CD2 LEU H 836 -45.162 77.618 12.030 1.00 85.37 C +ATOM 483 N PHE H 837 -46.202 82.301 14.611 1.00 91.64 N +ATOM 484 CA PHE H 837 -46.907 83.028 15.661 1.00 93.72 C +ATOM 485 C PHE H 837 -47.292 84.464 15.269 1.00 96.27 C +ATOM 486 O PHE H 837 -48.345 84.952 15.673 1.00 97.85 O +ATOM 487 CB PHE H 837 -46.088 83.017 16.958 1.00 91.40 C +ATOM 488 CG PHE H 837 -46.213 81.739 17.736 1.00 90.92 C +ATOM 489 CD1 PHE H 837 -45.791 80.535 17.200 1.00 91.77 C +ATOM 490 CD2 PHE H 837 -46.792 81.726 18.994 1.00 91.52 C +ATOM 491 CE1 PHE H 837 -45.950 79.329 17.909 1.00 90.45 C +ATOM 492 CE2 PHE H 837 -46.950 80.521 19.704 1.00 90.39 C +ATOM 493 CZ PHE H 837 -46.528 79.328 19.155 1.00 88.08 C +ATOM 494 N SER H 838 -46.459 85.136 14.476 1.00 98.13 N +ATOM 495 CA SER H 838 -46.746 86.504 14.038 1.00 97.96 C +ATOM 496 C SER H 838 -47.860 86.512 13.014 1.00 97.68 C +ATOM 497 O SER H 838 -48.470 87.542 12.760 1.00 98.12 O +ATOM 498 CB SER H 838 -45.504 87.153 13.428 1.00 98.67 C +ATOM 499 OG SER H 838 -44.580 87.503 14.442 1.00 99.03 O +ATOM 500 N TRP H 839 -48.100 85.354 12.415 1.00 97.77 N +ATOM 501 CA TRP H 839 -49.154 85.189 11.426 1.00 97.56 C +ATOM 502 C TRP H 839 -50.383 84.741 12.178 1.00 99.46 C +ATOM 503 O TRP H 839 -51.497 84.877 11.693 1.00100.12 O +ATOM 504 CB TRP H 839 -48.773 84.116 10.420 1.00 95.97 C +ATOM 505 CG TRP H 839 -49.921 83.589 9.653 1.00 93.50 C +ATOM 506 CD1 TRP H 839 -50.392 84.040 8.458 1.00 94.77 C +ATOM 507 CD2 TRP H 839 -50.767 82.514 10.040 1.00 93.06 C +ATOM 508 NE1 TRP H 839 -51.486 83.306 8.071 1.00 93.67 N +ATOM 509 CE2 TRP H 839 -51.737 82.361 9.027 1.00 92.15 C +ATOM 510 CE3 TRP H 839 -50.801 81.661 11.151 1.00 93.06 C +ATOM 511 CZ2 TRP H 839 -52.728 81.394 9.088 1.00 91.88 C +ATOM 512 CZ3 TRP H 839 -51.782 80.702 11.215 1.00 93.24 C +ATOM 513 CH2 TRP H 839 -52.738 80.574 10.185 1.00 94.28 C +ATOM 514 N ALA H 840 -50.162 84.185 13.364 1.00102.07 N +ATOM 515 CA ALA H 840 -51.244 83.717 14.220 1.00103.99 C +ATOM 516 C ALA H 840 -51.935 84.921 14.876 1.00106.03 C +ATOM 517 O ALA H 840 -53.137 84.891 15.137 1.00107.41 O +ATOM 518 CB ALA H 840 -50.693 82.775 15.277 1.00103.12 C +ATOM 519 N GLU H 841 -51.170 85.975 15.142 1.00107.70 N +ATOM 520 CA GLU H 841 -51.712 87.199 15.727 1.00109.18 C +ATOM 521 C GLU H 841 -52.664 87.824 14.709 1.00108.92 C +ATOM 522 O GLU H 841 -53.861 87.945 14.938 1.00109.38 O +ATOM 523 CB GLU H 841 -50.592 88.202 15.993 1.00112.61 C +ATOM 524 CG GLU H 841 -49.548 87.764 16.989 1.00118.47 C +ATOM 525 CD GLU H 841 -50.008 87.930 18.418 1.00121.78 C +ATOM 526 OE1 GLU H 841 -51.117 88.479 18.617 1.00124.20 O +ATOM 527 OE2 GLU H 841 -49.258 87.520 19.337 1.00123.74 O +ATOM 528 N ARG H 842 -52.099 88.227 13.579 1.00108.27 N +ATOM 529 CA ARG H 842 -52.839 88.849 12.492 1.00107.64 C +ATOM 530 C ARG H 842 -54.032 88.006 12.036 1.00107.79 C +ATOM 531 O ARG H 842 -54.799 88.410 11.165 1.00107.37 O +ATOM 532 CB ARG H 842 -51.880 89.100 11.315 1.00107.32 C +ATOM 533 CG ARG H 842 -50.647 89.932 11.692 1.00106.55 C +ATOM 534 CD ARG H 842 -49.655 90.071 10.542 1.00105.51 C +ATOM 535 NE ARG H 842 -48.845 88.872 10.332 1.00104.05 N +ATOM 536 CZ ARG H 842 -48.906 88.096 9.253 1.00102.72 C +ATOM 537 NH1 ARG H 842 -49.747 88.377 8.265 1.00101.33 N +ATOM 538 NH2 ARG H 842 -48.106 87.046 9.158 1.00101.48 N +ATOM 539 N GLN H 843 -54.194 86.833 12.628 1.00108.80 N +ATOM 540 CA GLN H 843 -55.300 85.968 12.258 1.00111.01 C +ATOM 541 C GLN H 843 -56.322 85.846 13.392 1.00112.97 C +ATOM 542 O GLN H 843 -57.379 85.246 13.210 1.00113.97 O +ATOM 543 CB GLN H 843 -54.764 84.592 11.870 1.00110.23 C +ATOM 544 CG GLN H 843 -55.318 84.060 10.559 1.00109.92 C +ATOM 545 CD GLN H 843 -55.299 85.097 9.456 1.00109.32 C +ATOM 546 OE1 GLN H 843 -54.331 85.838 9.312 1.00108.76 O +ATOM 547 NE2 GLN H 843 -56.369 85.148 8.665 1.00108.61 N +ATOM 548 N ALA H 844 -55.991 86.442 14.540 1.00114.43 N +ATOM 549 CA ALA H 844 -56.810 86.459 15.760 1.00115.87 C +ATOM 550 C ALA H 844 -58.278 86.049 15.638 1.00118.01 C +ATOM 551 O ALA H 844 -58.796 85.325 16.493 1.00118.52 O +ATOM 552 CB ALA H 844 -56.724 87.828 16.405 1.00115.11 C +ATOM 553 N GLY H 845 -58.961 86.534 14.607 1.00119.46 N +ATOM 554 CA GLY H 845 -60.351 86.156 14.422 1.00121.94 C +ATOM 555 C GLY H 845 -60.480 85.443 13.091 1.00123.89 C +ATOM 556 O GLY H 845 -60.046 84.297 12.932 1.00124.27 O +ATOM 557 N GLN H 846 -61.082 86.134 12.130 1.00125.23 N +ATOM 558 CA GLN H 846 -61.256 85.619 10.775 1.00125.53 C +ATOM 559 C GLN H 846 -61.955 84.268 10.703 1.00124.93 C +ATOM 560 O GLN H 846 -62.118 83.575 11.707 1.00124.22 O +ATOM 561 CB GLN H 846 -59.891 85.524 10.081 1.00126.41 C +ATOM 562 CG GLN H 846 -58.941 86.655 10.448 1.00126.85 C +ATOM 563 CD GLN H 846 -59.646 87.995 10.549 1.00126.26 C +ATOM 564 OE1 GLN H 846 -60.205 88.494 9.571 1.00125.96 O +ATOM 565 NE2 GLN H 846 -59.629 88.580 11.743 1.00125.01 N +ATOM 566 N PRO H 847 -62.383 83.877 9.495 1.00125.05 N +ATOM 567 CA PRO H 847 -63.058 82.586 9.372 1.00124.12 C +ATOM 568 C PRO H 847 -62.068 81.438 9.544 1.00122.91 C +ATOM 569 O PRO H 847 -61.537 81.215 10.636 1.00122.44 O +ATOM 570 CB PRO H 847 -63.663 82.648 7.967 1.00124.76 C +ATOM 571 CG PRO H 847 -62.639 83.461 7.205 1.00124.68 C +ATOM 572 CD PRO H 847 -62.307 84.569 8.191 1.00125.23 C +ATOM 573 N GLY H 848 -61.808 80.736 8.445 1.00121.91 N +ATOM 574 CA GLY H 848 -60.909 79.597 8.466 1.00120.00 C +ATOM 575 C GLY H 848 -59.433 79.913 8.521 1.00118.25 C +ATOM 576 O GLY H 848 -58.677 79.542 7.617 1.00118.70 O +ATOM 577 N ALA H 849 -59.020 80.602 9.579 1.00115.83 N +ATOM 578 CA ALA H 849 -57.616 80.931 9.759 1.00112.66 C +ATOM 579 C ALA H 849 -56.856 79.607 9.706 1.00110.54 C +ATOM 580 O ALA H 849 -55.894 79.456 8.955 1.00109.30 O +ATOM 581 CB ALA H 849 -57.414 81.608 11.104 1.00113.30 C +ATOM 582 N VAL H 850 -57.323 78.641 10.494 1.00108.55 N +ATOM 583 CA VAL H 850 -56.714 77.318 10.549 1.00106.44 C +ATOM 584 C VAL H 850 -56.836 76.583 9.228 1.00106.57 C +ATOM 585 O VAL H 850 -55.963 75.803 8.853 1.00106.46 O +ATOM 586 CB VAL H 850 -57.372 76.443 11.607 1.00104.71 C +ATOM 587 CG1 VAL H 850 -56.747 75.068 11.587 1.00102.55 C +ATOM 588 CG2 VAL H 850 -57.222 77.078 12.970 1.00105.27 C +ATOM 589 N GLY H 851 -57.936 76.817 8.529 1.00106.84 N +ATOM 590 CA GLY H 851 -58.127 76.153 7.257 1.00106.21 C +ATOM 591 C GLY H 851 -57.070 76.573 6.260 1.00105.27 C +ATOM 592 O GLY H 851 -56.562 75.741 5.494 1.00104.85 O +ATOM 593 N LEU H 852 -56.741 77.867 6.276 1.00103.62 N +ATOM 594 CA LEU H 852 -55.746 78.424 5.365 1.00102.28 C +ATOM 595 C LEU H 852 -54.382 77.786 5.577 1.00100.02 C +ATOM 596 O LEU H 852 -53.747 77.329 4.620 1.00 99.94 O +ATOM 597 CB LEU H 852 -55.644 79.946 5.540 1.00103.24 C +ATOM 598 CG LEU H 852 -56.264 80.817 4.433 1.00104.49 C +ATOM 599 CD1 LEU H 852 -56.384 82.253 4.925 1.00104.08 C +ATOM 600 CD2 LEU H 852 -55.419 80.748 3.150 1.00103.95 C +ATOM 601 N LEU H 853 -53.945 77.753 6.834 1.00 95.98 N +ATOM 602 CA LEU H 853 -52.658 77.172 7.190 1.00 91.98 C +ATOM 603 C LEU H 853 -52.537 75.777 6.595 1.00 91.26 C +ATOM 604 O LEU H 853 -51.530 75.443 5.984 1.00 90.75 O +ATOM 605 CB LEU H 853 -52.520 77.093 8.709 1.00 88.00 C +ATOM 606 CG LEU H 853 -51.126 76.880 9.284 1.00 84.66 C +ATOM 607 CD1 LEU H 853 -51.229 76.832 10.782 1.00 83.40 C +ATOM 608 CD2 LEU H 853 -50.521 75.611 8.765 1.00 83.22 C +ATOM 609 N VAL H 854 -53.566 74.958 6.777 1.00 91.30 N +ATOM 610 CA VAL H 854 -53.537 73.604 6.240 1.00 90.72 C +ATOM 611 C VAL H 854 -53.371 73.670 4.744 1.00 90.66 C +ATOM 612 O VAL H 854 -52.646 72.875 4.147 1.00 89.14 O +ATOM 613 CB VAL H 854 -54.831 72.822 6.573 1.00 89.63 C +ATOM 614 CG1 VAL H 854 -55.004 71.649 5.609 1.00 87.93 C +ATOM 615 CG2 VAL H 854 -54.755 72.305 8.004 1.00 86.93 C +ATOM 616 N GLN H 855 -54.042 74.642 4.146 1.00 92.79 N +ATOM 617 CA GLN H 855 -53.988 74.809 2.710 1.00 94.69 C +ATOM 618 C GLN H 855 -52.575 75.169 2.265 1.00 94.11 C +ATOM 619 O GLN H 855 -52.059 74.604 1.303 1.00 93.73 O +ATOM 620 CB GLN H 855 -54.975 75.882 2.273 1.00 96.20 C +ATOM 621 CG GLN H 855 -55.400 75.698 0.841 1.00 99.86 C +ATOM 622 CD GLN H 855 -55.490 77.005 0.099 1.00102.14 C +ATOM 623 OE1 GLN H 855 -55.671 77.020 -1.118 1.00103.29 O +ATOM 624 NE2 GLN H 855 -55.361 78.119 0.826 1.00102.63 N +ATOM 625 N ALA H 856 -51.950 76.109 2.964 1.00 93.34 N +ATOM 626 CA ALA H 856 -50.588 76.499 2.631 1.00 92.41 C +ATOM 627 C ALA H 856 -49.700 75.260 2.733 1.00 92.50 C +ATOM 628 O ALA H 856 -49.094 74.851 1.756 1.00 92.54 O +ATOM 629 CB ALA H 856 -50.097 77.587 3.580 1.00 90.49 C +ATOM 630 N LEU H 857 -49.645 74.649 3.911 1.00 92.98 N +ATOM 631 CA LEU H 857 -48.830 73.459 4.108 1.00 93.48 C +ATOM 632 C LEU H 857 -48.949 72.458 2.962 1.00 95.56 C +ATOM 633 O LEU H 857 -47.964 71.835 2.580 1.00 96.66 O +ATOM 634 CB LEU H 857 -49.187 72.780 5.429 1.00 91.59 C +ATOM 635 CG LEU H 857 -48.775 73.519 6.702 1.00 90.45 C +ATOM 636 CD1 LEU H 857 -49.271 72.763 7.905 1.00 91.49 C +ATOM 637 CD2 LEU H 857 -47.276 73.642 6.771 1.00 90.52 C +ATOM 638 N GLU H 858 -50.146 72.287 2.413 1.00 97.70 N +ATOM 639 CA GLU H 858 -50.320 71.357 1.298 1.00100.01 C +ATOM 640 C GLU H 858 -49.690 71.982 0.067 1.00 99.04 C +ATOM 641 O GLU H 858 -48.935 71.343 -0.657 1.00 97.65 O +ATOM 642 CB GLU H 858 -51.805 71.107 1.022 1.00104.31 C +ATOM 643 CG GLU H 858 -52.492 70.182 2.014 1.00110.68 C +ATOM 644 CD GLU H 858 -53.999 70.121 1.807 1.00113.79 C +ATOM 645 OE1 GLU H 858 -54.665 71.150 2.055 1.00116.32 O +ATOM 646 OE2 GLU H 858 -54.514 69.053 1.393 1.00114.72 O +ATOM 647 N GLN H 859 -50.021 73.254 -0.139 1.00 99.12 N +ATOM 648 CA GLN H 859 -49.547 74.055 -1.256 1.00 98.15 C +ATOM 649 C GLN H 859 -48.024 74.190 -1.211 1.00 97.67 C +ATOM 650 O GLN H 859 -47.397 74.526 -2.212 1.00 98.43 O +ATOM 651 CB GLN H 859 -50.193 75.434 -1.182 1.00 98.76 C +ATOM 652 CG GLN H 859 -50.557 76.042 -2.515 1.00103.94 C +ATOM 653 CD GLN H 859 -51.844 75.484 -3.086 1.00107.49 C +ATOM 654 OE1 GLN H 859 -51.866 74.406 -3.690 1.00108.82 O +ATOM 655 NE2 GLN H 859 -52.937 76.218 -2.888 1.00108.76 N +ATOM 656 N SER H 860 -47.443 73.943 -0.037 1.00 96.35 N +ATOM 657 CA SER H 860 -45.996 74.007 0.162 1.00 93.33 C +ATOM 658 C SER H 860 -45.460 72.595 0.156 1.00 92.69 C +ATOM 659 O SER H 860 -44.577 72.258 0.932 1.00 89.69 O +ATOM 660 CB SER H 860 -45.646 74.648 1.502 1.00 92.25 C +ATOM 661 OG SER H 860 -45.903 76.034 1.504 1.00 92.10 O +ATOM 662 N ASP H 861 -46.030 71.766 -0.707 1.00 94.85 N +ATOM 663 CA ASP H 861 -45.615 70.379 -0.852 1.00 98.50 C +ATOM 664 C ASP H 861 -45.346 69.602 0.449 1.00100.28 C +ATOM 665 O ASP H 861 -44.370 68.845 0.548 1.00100.02 O +ATOM 666 CB ASP H 861 -44.387 70.327 -1.749 1.00100.21 C +ATOM 667 CG ASP H 861 -44.556 69.370 -2.887 1.00102.78 C +ATOM 668 OD1 ASP H 861 -44.535 68.151 -2.622 1.00103.45 O +ATOM 669 OD2 ASP H 861 -44.721 69.838 -4.041 1.00105.21 O +ATOM 670 N ARG H 862 -46.225 69.786 1.434 1.00101.16 N +ATOM 671 CA ARG H 862 -46.117 69.099 2.718 1.00100.93 C +ATOM 672 C ARG H 862 -47.447 68.464 3.141 1.00103.37 C +ATOM 673 O ARG H 862 -47.956 68.785 4.221 1.00104.35 O +ATOM 674 CB ARG H 862 -45.675 70.066 3.820 1.00 97.64 C +ATOM 675 CG ARG H 862 -44.364 70.745 3.561 1.00 93.96 C +ATOM 676 CD ARG H 862 -43.200 69.783 3.632 1.00 90.16 C +ATOM 677 NE ARG H 862 -42.528 69.854 4.923 1.00 86.90 N +ATOM 678 CZ ARG H 862 -42.799 69.055 5.945 1.00 87.04 C +ATOM 679 NH1 ARG H 862 -43.731 68.126 5.807 1.00 89.44 N +ATOM 680 NH2 ARG H 862 -42.146 69.181 7.093 1.00 82.76 N +ATOM 681 N GLN H 863 -48.017 67.583 2.307 1.00104.55 N +ATOM 682 CA GLN H 863 -49.266 66.891 2.660 1.00104.38 C +ATOM 683 C GLN H 863 -48.981 66.267 4.025 1.00102.65 C +ATOM 684 O GLN H 863 -49.873 65.945 4.800 1.00101.56 O +ATOM 685 CB GLN H 863 -49.579 65.791 1.648 1.00107.09 C +ATOM 686 CG GLN H 863 -50.875 65.038 1.945 1.00112.43 C +ATOM 687 CD GLN H 863 -52.117 65.891 1.707 1.00115.51 C +ATOM 688 OE1 GLN H 863 -53.242 65.509 2.069 1.00115.77 O +ATOM 689 NE2 GLN H 863 -51.918 67.052 1.086 1.00116.64 N +ATOM 690 N ASP H 864 -47.686 66.118 4.269 1.00101.81 N +ATOM 691 CA ASP H 864 -47.082 65.600 5.482 1.00 99.24 C +ATOM 692 C ASP H 864 -47.711 66.241 6.716 1.00 97.46 C +ATOM 693 O ASP H 864 -48.425 65.591 7.474 1.00 95.93 O +ATOM 694 CB ASP H 864 -45.587 65.933 5.414 1.00100.53 C +ATOM 695 CG ASP H 864 -44.822 65.494 6.636 1.00103.73 C +ATOM 696 OD1 ASP H 864 -44.620 64.276 6.812 1.00107.12 O +ATOM 697 OD2 ASP H 864 -44.408 66.367 7.428 1.00105.68 O +ATOM 698 N VAL H 865 -47.436 67.531 6.899 1.00 96.50 N +ATOM 699 CA VAL H 865 -47.932 68.291 8.042 1.00 94.77 C +ATOM 700 C VAL H 865 -49.320 68.856 7.797 1.00 94.31 C +ATOM 701 O VAL H 865 -49.903 69.463 8.679 1.00 94.38 O +ATOM 702 CB VAL H 865 -46.973 69.465 8.401 1.00 94.42 C +ATOM 703 CG1 VAL H 865 -47.391 70.114 9.702 1.00 94.03 C +ATOM 704 CG2 VAL H 865 -45.554 68.958 8.540 1.00 94.33 C +ATOM 705 N ALA H 866 -49.854 68.682 6.597 1.00 95.12 N +ATOM 706 CA ALA H 866 -51.203 69.169 6.330 1.00 94.94 C +ATOM 707 C ALA H 866 -52.131 68.240 7.103 1.00 95.05 C +ATOM 708 O ALA H 866 -53.030 68.698 7.800 1.00 96.02 O +ATOM 709 CB ALA H 866 -51.512 69.106 4.847 1.00 94.63 C +ATOM 710 N GLU H 867 -51.870 66.937 6.994 1.00 94.23 N +ATOM 711 CA GLU H 867 -52.643 65.902 7.662 1.00 93.95 C +ATOM 712 C GLU H 867 -52.581 65.903 9.191 1.00 95.15 C +ATOM 713 O GLU H 867 -53.610 65.732 9.819 1.00 95.26 O +ATOM 714 CB GLU H 867 -52.222 64.542 7.139 1.00 94.98 C +ATOM 715 CG GLU H 867 -52.204 64.477 5.620 1.00101.09 C +ATOM 716 CD GLU H 867 -51.719 63.128 5.080 1.00104.16 C +ATOM 717 OE1 GLU H 867 -50.846 62.503 5.726 1.00105.93 O +ATOM 718 OE2 GLU H 867 -52.194 62.702 4.001 1.00104.19 O +ATOM 719 N GLU H 868 -51.407 66.073 9.809 1.00 97.90 N +ATOM 720 CA GLU H 868 -51.371 66.089 11.277 1.00 99.41 C +ATOM 721 C GLU H 868 -52.231 67.235 11.764 1.00100.50 C +ATOM 722 O GLU H 868 -53.005 67.076 12.706 1.00102.26 O +ATOM 723 CB GLU H 868 -49.971 66.310 11.899 1.00101.14 C +ATOM 724 CG GLU H 868 -50.054 66.172 13.499 1.00105.40 C +ATOM 725 CD GLU H 868 -49.211 67.161 14.386 1.00104.33 C +ATOM 726 OE1 GLU H 868 -49.489 68.394 14.432 1.00100.30 O +ATOM 727 OE2 GLU H 868 -48.281 66.670 15.067 1.00100.31 O +ATOM 728 N VAL H 869 -52.083 68.400 11.141 1.00100.82 N +ATOM 729 CA VAL H 869 -52.860 69.554 11.562 1.00101.55 C +ATOM 730 C VAL H 869 -54.344 69.244 11.508 1.00102.11 C +ATOM 731 O VAL H 869 -55.063 69.548 12.461 1.00102.98 O +ATOM 732 CB VAL H 869 -52.540 70.805 10.726 1.00101.75 C +ATOM 733 CG1 VAL H 869 -53.495 71.932 11.088 1.00101.56 C +ATOM 734 CG2 VAL H 869 -51.118 71.255 11.018 1.00100.85 C +ATOM 735 N ARG H 870 -54.810 68.637 10.416 1.00101.41 N +ATOM 736 CA ARG H 870 -56.219 68.281 10.340 1.00101.72 C +ATOM 737 C ARG H 870 -56.523 67.301 11.475 1.00102.44 C +ATOM 738 O ARG H 870 -57.535 67.432 12.157 1.00103.58 O +ATOM 739 CB ARG H 870 -56.564 67.635 9.003 1.00101.51 C +ATOM 740 CG ARG H 870 -56.547 68.582 7.831 1.00104.52 C +ATOM 741 CD ARG H 870 -57.443 68.075 6.713 1.00108.74 C +ATOM 742 NE ARG H 870 -56.957 68.463 5.390 1.00113.89 N +ATOM 743 CZ ARG H 870 -55.985 67.831 4.730 1.00116.46 C +ATOM 744 NH1 ARG H 870 -55.390 66.769 5.262 1.00117.55 N +ATOM 745 NH2 ARG H 870 -55.599 68.266 3.536 1.00117.56 N +ATOM 746 N ALA H 871 -55.642 66.325 11.682 1.00102.22 N +ATOM 747 CA ALA H 871 -55.824 65.350 12.751 1.00101.72 C +ATOM 748 C ALA H 871 -56.179 66.069 14.045 1.00102.32 C +ATOM 749 O ALA H 871 -57.351 66.210 14.359 1.00103.78 O +ATOM 750 CB ALA H 871 -54.557 64.522 12.943 1.00100.86 C +ATOM 751 N VAL H 872 -55.172 66.534 14.783 1.00103.15 N +ATOM 752 CA VAL H 872 -55.370 67.240 16.064 1.00103.28 C +ATOM 753 C VAL H 872 -56.587 68.174 16.062 1.00103.05 C +ATOM 754 O VAL H 872 -57.109 68.564 17.112 1.00101.59 O +ATOM 755 CB VAL H 872 -54.144 68.103 16.411 1.00103.81 C +ATOM 756 CG1 VAL H 872 -54.174 69.394 15.581 1.00103.04 C +ATOM 757 CG2 VAL H 872 -54.123 68.415 17.902 1.00103.68 C +ATOM 758 N LEU H 873 -57.009 68.534 14.861 1.00102.61 N +ATOM 759 CA LEU H 873 -58.130 69.425 14.636 1.00102.72 C +ATOM 760 C LEU H 873 -59.481 68.722 14.853 1.00102.89 C +ATOM 761 O LEU H 873 -60.536 69.338 14.707 1.00104.67 O +ATOM 762 CB LEU H 873 -58.014 69.956 13.198 1.00102.35 C +ATOM 763 CG LEU H 873 -58.521 71.328 12.775 1.00100.98 C +ATOM 764 CD1 LEU H 873 -59.934 71.222 12.228 1.00101.36 C +ATOM 765 CD2 LEU H 873 -58.410 72.278 13.966 1.00 99.87 C +ATOM 766 N GLU H 874 -59.451 67.442 15.213 1.00101.95 N +ATOM 767 CA GLU H 874 -60.680 66.683 15.412 1.00100.80 C +ATOM 768 C GLU H 874 -61.349 66.866 16.763 1.00101.33 C +ATOM 769 O GLU H 874 -61.015 66.209 17.750 1.00 97.39 O +ATOM 770 CB GLU H 874 -60.421 65.209 15.147 1.00101.61 C +ATOM 771 CG GLU H 874 -60.010 64.948 13.695 1.00104.89 C +ATOM 772 CD GLU H 874 -61.070 64.215 12.872 1.00106.61 C +ATOM 773 OE1 GLU H 874 -61.034 62.960 12.832 1.00106.66 O +ATOM 774 OE2 GLU H 874 -61.937 64.895 12.270 1.00107.60 O +ATOM 775 N LEU H 875 -62.311 67.793 16.764 1.00103.93 N +ATOM 776 CA LEU H 875 -63.127 68.159 17.929 1.00102.89 C +ATOM 777 C LEU H 875 -64.049 69.372 17.608 1.00 99.88 C +ATOM 778 O LEU H 875 -63.617 70.511 17.711 1.00 99.03 O +ATOM 779 CB LEU H 875 -62.209 68.471 19.123 1.00102.79 C +ATOM 780 CG LEU H 875 -62.861 68.054 20.437 1.00105.41 C +ATOM 781 CD1 LEU H 875 -63.921 69.089 20.873 1.00104.67 C +ATOM 782 CD2 LEU H 875 -63.488 66.661 20.240 1.00105.04 C +ATOM 783 N GLY H 876 -65.302 69.126 17.208 1.00 97.06 N +ATOM 784 CA GLY H 876 -66.196 70.232 16.888 1.00 95.68 C +ATOM 785 C GLY H 876 -67.660 69.909 16.602 1.00 95.28 C +ATOM 786 O GLY H 876 -67.943 69.168 15.638 1.00 94.36 O Added: SwiftApps/modFTdock/input/indata/2of5-9.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2of5-9.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2of5-9.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,786 @@ +ATOM 1 N MET I 777 -42.241 113.758 3.120 1.00180.54 N +ATOM 2 CA MET I 777 -41.963 115.154 3.575 1.00181.13 C +ATOM 3 C MET I 777 -42.104 116.181 2.449 1.00180.60 C +ATOM 4 O MET I 777 -42.687 115.900 1.401 1.00180.44 O +ATOM 5 CB MET I 777 -40.547 115.258 4.152 1.00181.94 C +ATOM 6 CG MET I 777 -40.322 114.542 5.474 1.00182.93 C +ATOM 7 SD MET I 777 -38.680 114.929 6.158 1.00184.15 S +ATOM 8 CE MET I 777 -39.065 116.368 7.192 1.00183.15 C +ATOM 9 N ASN I 778 -41.559 117.375 2.685 1.00180.02 N +ATOM 10 CA ASN I 778 -41.588 118.470 1.713 1.00179.21 C +ATOM 11 C ASN I 778 -40.762 118.075 0.490 1.00178.63 C +ATOM 12 O ASN I 778 -40.412 118.924 -0.336 1.00178.72 O +ATOM 13 CB ASN I 778 -40.974 119.746 2.315 1.00179.08 C +ATOM 14 CG ASN I 778 -41.582 120.125 3.654 1.00178.81 C +ATOM 15 OD1 ASN I 778 -41.573 119.337 4.601 1.00178.61 O +ATOM 16 ND2 ASN I 778 -42.103 121.343 3.743 1.00178.22 N +ATOM 17 N LEU I 779 -40.447 116.785 0.386 1.00177.36 N +ATOM 18 CA LEU I 779 -39.638 116.269 -0.712 1.00175.63 C +ATOM 19 C LEU I 779 -40.372 116.328 -2.045 1.00174.58 C +ATOM 20 O LEU I 779 -41.191 115.464 -2.361 1.00174.18 O +ATOM 21 CB LEU I 779 -39.205 114.831 -0.410 1.00174.80 C +ATOM 22 CG LEU I 779 -37.827 114.416 -0.937 1.00173.82 C +ATOM 23 CD1 LEU I 779 -37.843 114.332 -2.449 1.00173.02 C +ATOM 24 CD2 LEU I 779 -36.782 115.419 -0.461 1.00172.92 C +ATOM 25 N GLY I 780 -40.062 117.361 -2.822 1.00173.37 N +ATOM 26 CA GLY I 780 -40.688 117.539 -4.115 1.00172.22 C +ATOM 27 C GLY I 780 -41.172 118.961 -4.299 1.00172.09 C +ATOM 28 O GLY I 780 -41.807 119.526 -3.408 1.00172.01 O +ATOM 29 N ASP I 781 -40.864 119.547 -5.453 1.00172.05 N +ATOM 30 CA ASP I 781 -41.282 120.912 -5.757 1.00171.46 C +ATOM 31 C ASP I 781 -42.515 120.867 -6.655 1.00171.23 C +ATOM 32 O ASP I 781 -42.747 119.880 -7.357 1.00171.11 O +ATOM 33 CB ASP I 781 -40.148 121.689 -6.450 1.00170.86 C +ATOM 34 CG ASP I 781 -40.001 121.339 -7.923 1.00170.27 C +ATOM 35 OD1 ASP I 781 -39.731 120.163 -8.251 1.00169.76 O +ATOM 36 OD2 ASP I 781 -40.153 122.254 -8.758 1.00169.72 O +ATOM 37 N ALA I 782 -43.304 121.937 -6.623 1.00170.84 N +ATOM 38 CA ALA I 782 -44.524 122.031 -7.423 1.00170.14 C +ATOM 39 C ALA I 782 -44.340 121.543 -8.862 1.00169.52 C +ATOM 40 O ALA I 782 -45.253 120.959 -9.450 1.00168.43 O +ATOM 41 CB ALA I 782 -45.030 123.474 -7.422 1.00170.11 C +ATOM 42 N GLU I 783 -43.157 121.782 -9.422 1.00169.46 N +ATOM 43 CA GLU I 783 -42.859 121.376 -10.793 1.00168.84 C +ATOM 44 C GLU I 783 -42.880 119.850 -10.895 1.00168.00 C +ATOM 45 O GLU I 783 -43.927 119.254 -11.173 1.00168.24 O +ATOM 46 CB GLU I 783 -41.484 121.915 -11.222 1.00168.96 C +ATOM 47 CG GLU I 783 -41.317 122.126 -12.729 1.00169.50 C +ATOM 48 CD GLU I 783 -41.986 123.402 -13.234 1.00169.80 C +ATOM 49 OE1 GLU I 783 -41.579 124.500 -12.797 1.00169.68 O +ATOM 50 OE2 GLU I 783 -42.914 123.309 -14.069 1.00169.76 O +ATOM 51 N THR I 784 -41.727 119.226 -10.663 1.00166.18 N +ATOM 52 CA THR I 784 -41.606 117.770 -10.724 1.00164.06 C +ATOM 53 C THR I 784 -42.825 117.112 -10.077 1.00162.18 C +ATOM 54 O THR I 784 -43.744 116.645 -10.758 1.00161.61 O +ATOM 55 CB THR I 784 -40.343 117.285 -9.974 1.00164.47 C +ATOM 56 OG1 THR I 784 -39.212 118.073 -10.370 1.00164.62 O +ATOM 57 CG2 THR I 784 -40.070 115.816 -10.287 1.00163.85 C +ATOM 58 N GLY I 785 -42.817 117.094 -8.749 1.00159.74 N +ATOM 59 CA GLY I 785 -43.902 116.505 -7.992 1.00156.88 C +ATOM 60 C GLY I 785 -43.460 116.413 -6.549 1.00155.20 C +ATOM 61 O GLY I 785 -42.273 116.559 -6.256 1.00154.63 O +ATOM 62 N PHE I 786 -44.403 116.177 -5.643 1.00153.50 N +ATOM 63 CA PHE I 786 -44.074 116.068 -4.227 1.00151.44 C +ATOM 64 C PHE I 786 -43.951 114.610 -3.797 1.00148.59 C +ATOM 65 O PHE I 786 -43.989 113.698 -4.623 1.00148.12 O +ATOM 66 CB PHE I 786 -45.147 116.753 -3.368 1.00153.55 C +ATOM 67 CG PHE I 786 -45.233 118.242 -3.567 1.00155.98 C +ATOM 68 CD1 PHE I 786 -45.731 118.776 -4.758 1.00156.29 C +ATOM 69 CD2 PHE I 786 -44.805 119.116 -2.564 1.00156.63 C +ATOM 70 CE1 PHE I 786 -45.806 120.159 -4.949 1.00156.18 C +ATOM 71 CE2 PHE I 786 -44.874 120.501 -2.745 1.00157.04 C +ATOM 72 CZ PHE I 786 -45.375 121.023 -3.942 1.00156.48 C +ATOM 73 N LEU I 787 -43.797 114.408 -2.494 1.00145.06 N +ATOM 74 CA LEU I 787 -43.690 113.080 -1.918 1.00141.71 C +ATOM 75 C LEU I 787 -43.990 113.168 -0.434 1.00140.34 C +ATOM 76 O LEU I 787 -43.198 113.698 0.345 1.00140.01 O +ATOM 77 CB LEU I 787 -42.293 112.503 -2.141 1.00140.75 C +ATOM 78 CG LEU I 787 -41.977 111.964 -3.539 1.00139.32 C +ATOM 79 CD1 LEU I 787 -40.563 111.426 -3.541 1.00138.27 C +ATOM 80 CD2 LEU I 787 -42.963 110.872 -3.938 1.00137.43 C +ATOM 81 N THR I 788 -45.152 112.654 -0.055 1.00138.55 N +ATOM 82 CA THR I 788 -45.594 112.669 1.331 1.00138.07 C +ATOM 83 C THR I 788 -44.855 111.615 2.121 1.00137.06 C +ATOM 84 O THR I 788 -44.376 110.649 1.543 1.00137.82 O +ATOM 85 CB THR I 788 -47.081 112.323 1.427 1.00139.00 C +ATOM 86 OG1 THR I 788 -47.326 111.128 0.675 1.00139.06 O +ATOM 87 CG2 THR I 788 -47.941 113.450 0.885 1.00139.82 C +ATOM 88 N GLN I 789 -44.766 111.788 3.438 1.00135.63 N +ATOM 89 CA GLN I 789 -44.120 110.780 4.271 1.00134.43 C +ATOM 90 C GLN I 789 -44.771 109.451 3.932 1.00133.35 C +ATOM 91 O GLN I 789 -44.133 108.406 3.992 1.00134.03 O +ATOM 92 CB GLN I 789 -44.340 111.056 5.754 1.00134.77 C +ATOM 93 CG GLN I 789 -43.277 111.912 6.392 1.00137.26 C +ATOM 94 CD GLN I 789 -43.466 112.029 7.889 1.00138.31 C +ATOM 95 OE1 GLN I 789 -43.713 111.033 8.573 1.00138.17 O +ATOM 96 NE2 GLN I 789 -43.342 113.246 8.411 1.00139.18 N +ATOM 97 N SER I 790 -46.053 109.506 3.578 1.00132.11 N +ATOM 98 CA SER I 790 -46.814 108.314 3.214 1.00130.73 C +ATOM 99 C SER I 790 -46.232 107.705 1.946 1.00128.88 C +ATOM 100 O SER I 790 -46.243 106.491 1.766 1.00128.53 O +ATOM 101 CB SER I 790 -48.288 108.669 2.991 1.00132.07 C +ATOM 102 OG SER I 790 -49.063 107.512 2.713 1.00133.22 O +ATOM 103 N ASN I 791 -45.737 108.558 1.060 1.00126.99 N +ATOM 104 CA ASN I 791 -45.122 108.088 -0.168 1.00125.78 C +ATOM 105 C ASN I 791 -43.728 107.546 0.166 1.00124.76 C +ATOM 106 O ASN I 791 -43.286 106.553 -0.414 1.00125.18 O +ATOM 107 CB ASN I 791 -45.010 109.234 -1.175 1.00126.48 C +ATOM 108 CG ASN I 791 -46.318 109.530 -1.863 1.00126.51 C +ATOM 109 OD1 ASN I 791 -46.426 110.485 -2.633 1.00125.79 O +ATOM 110 ND2 ASN I 791 -47.322 108.704 -1.598 1.00126.46 N +ATOM 111 N LEU I 792 -43.046 108.203 1.105 1.00122.30 N +ATOM 112 CA LEU I 792 -41.710 107.795 1.536 1.00119.49 C +ATOM 113 C LEU I 792 -41.787 106.434 2.211 1.00119.26 C +ATOM 114 O LEU I 792 -40.980 105.540 1.943 1.00119.78 O +ATOM 115 CB LEU I 792 -41.130 108.826 2.503 1.00116.69 C +ATOM 116 CG LEU I 792 -39.948 109.615 1.942 1.00114.43 C +ATOM 117 CD1 LEU I 792 -40.300 110.112 0.560 1.00112.49 C +ATOM 118 CD2 LEU I 792 -39.594 110.769 2.864 1.00113.63 C +ATOM 119 N LEU I 793 -42.764 106.285 3.094 1.00118.15 N +ATOM 120 CA LEU I 793 -42.967 105.026 3.781 1.00116.79 C +ATOM 121 C LEU I 793 -43.254 103.939 2.744 1.00116.02 C +ATOM 122 O LEU I 793 -42.748 102.828 2.859 1.00115.86 O +ATOM 123 CB LEU I 793 -44.130 105.150 4.770 1.00116.58 C +ATOM 124 CG LEU I 793 -43.766 105.200 6.257 1.00116.21 C +ATOM 125 CD1 LEU I 793 -43.173 103.861 6.677 1.00117.87 C +ATOM 126 CD2 LEU I 793 -42.783 106.316 6.525 1.00116.02 C +ATOM 127 N SER I 794 -44.059 104.260 1.731 1.00115.37 N +ATOM 128 CA SER I 794 -44.382 103.292 0.674 1.00116.05 C +ATOM 129 C SER I 794 -43.081 102.704 0.144 1.00115.24 C +ATOM 130 O SER I 794 -43.014 101.537 -0.254 1.00116.13 O +ATOM 131 CB SER I 794 -45.123 103.963 -0.496 1.00117.75 C +ATOM 132 OG SER I 794 -46.375 104.499 -0.100 1.00120.09 O +ATOM 133 N VAL I 795 -42.048 103.539 0.137 1.00113.02 N +ATOM 134 CA VAL I 795 -40.741 103.135 -0.336 1.00108.76 C +ATOM 135 C VAL I 795 -40.020 102.333 0.747 1.00105.89 C +ATOM 136 O VAL I 795 -39.802 101.137 0.575 1.00104.36 O +ATOM 137 CB VAL I 795 -39.923 104.376 -0.770 1.00108.06 C +ATOM 138 CG1 VAL I 795 -38.499 103.989 -1.114 1.00108.34 C +ATOM 139 CG2 VAL I 795 -40.579 105.005 -1.987 1.00106.06 C +ATOM 140 N ALA I 796 -39.685 102.970 1.865 1.00103.40 N +ATOM 141 CA ALA I 796 -38.986 102.284 2.955 1.00102.99 C +ATOM 142 C ALA I 796 -39.473 100.849 3.203 1.00103.00 C +ATOM 143 O ALA I 796 -38.677 99.946 3.466 1.00103.03 O +ATOM 144 CB ALA I 796 -39.101 103.093 4.235 1.00101.47 C +ATOM 145 N GLY I 797 -40.781 100.640 3.117 1.00102.98 N +ATOM 146 CA GLY I 797 -41.333 99.317 3.348 1.00101.19 C +ATOM 147 C GLY I 797 -41.213 98.368 2.171 1.00100.23 C +ATOM 148 O GLY I 797 -41.341 97.157 2.337 1.00100.68 O +ATOM 149 N ARG I 798 -40.979 98.905 0.978 1.00 98.86 N +ATOM 150 CA ARG I 798 -40.833 98.067 -0.202 1.00 96.61 C +ATOM 151 C ARG I 798 -39.360 97.671 -0.383 1.00 94.26 C +ATOM 152 O ARG I 798 -39.035 96.863 -1.244 1.00 92.52 O +ATOM 153 CB ARG I 798 -41.328 98.815 -1.435 1.00 97.90 C +ATOM 154 CG ARG I 798 -41.801 97.897 -2.541 1.00102.67 C +ATOM 155 CD ARG I 798 -43.327 97.834 -2.600 1.00106.42 C +ATOM 156 NE ARG I 798 -43.890 98.692 -3.650 1.00110.28 N +ATOM 157 CZ ARG I 798 -43.640 98.546 -4.953 1.00111.67 C +ATOM 158 NH1 ARG I 798 -42.831 97.571 -5.357 1.00112.44 N +ATOM 159 NH2 ARG I 798 -44.197 99.362 -5.854 1.00109.15 N +ATOM 160 N LEU I 799 -38.483 98.247 0.442 1.00 92.58 N +ATOM 161 CA LEU I 799 -37.041 97.985 0.394 1.00 90.20 C +ATOM 162 C LEU I 799 -36.601 96.905 1.361 1.00 89.98 C +ATOM 163 O LEU I 799 -37.050 96.862 2.503 1.00 87.96 O +ATOM 164 CB LEU I 799 -36.238 99.243 0.721 1.00 87.80 C +ATOM 165 CG LEU I 799 -36.119 100.367 -0.294 1.00 85.50 C +ATOM 166 CD1 LEU I 799 -35.200 101.417 0.280 1.00 84.54 C +ATOM 167 CD2 LEU I 799 -35.581 99.837 -1.609 1.00 86.18 C +ATOM 168 N GLY I 800 -35.679 96.066 0.895 1.00 91.17 N +ATOM 169 CA GLY I 800 -35.174 94.969 1.702 1.00 91.67 C +ATOM 170 C GLY I 800 -33.813 95.200 2.329 1.00 91.72 C +ATOM 171 O GLY I 800 -33.616 96.169 3.069 1.00 92.07 O +ATOM 172 N LEU I 801 -32.876 94.296 2.052 1.00 90.32 N +ATOM 173 CA LEU I 801 -31.533 94.413 2.592 1.00 88.91 C +ATOM 174 C LEU I 801 -30.653 95.146 1.599 1.00 89.49 C +ATOM 175 O LEU I 801 -29.489 95.450 1.887 1.00 90.36 O +ATOM 176 CB LEU I 801 -30.946 93.036 2.874 1.00 88.59 C +ATOM 177 CG LEU I 801 -31.550 92.253 4.032 1.00 88.55 C +ATOM 178 CD1 LEU I 801 -30.773 90.964 4.232 1.00 88.34 C +ATOM 179 CD2 LEU I 801 -31.499 93.103 5.285 1.00 89.54 C +ATOM 180 N ASP I 802 -31.210 95.414 0.421 1.00 88.57 N +ATOM 181 CA ASP I 802 -30.477 96.130 -0.609 1.00 87.71 C +ATOM 182 C ASP I 802 -30.570 97.613 -0.314 1.00 86.32 C +ATOM 183 O ASP I 802 -30.231 98.451 -1.135 1.00 86.67 O +ATOM 184 CB ASP I 802 -31.040 95.826 -2.007 1.00 89.25 C +ATOM 185 CG ASP I 802 -32.562 95.978 -2.093 1.00 91.31 C +ATOM 186 OD1 ASP I 802 -33.093 95.818 -3.221 1.00 90.93 O +ATOM 187 OD2 ASP I 802 -33.222 96.240 -1.056 1.00 89.72 O +ATOM 188 N TRP I 803 -31.027 97.938 0.880 1.00 85.92 N +ATOM 189 CA TRP I 803 -31.150 99.330 1.249 1.00 86.21 C +ATOM 190 C TRP I 803 -29.816 100.063 1.019 1.00 85.67 C +ATOM 191 O TRP I 803 -29.779 101.095 0.347 1.00 85.24 O +ATOM 192 CB TRP I 803 -31.644 99.446 2.718 1.00 86.31 C +ATOM 193 CG TRP I 803 -30.714 100.152 3.662 1.00 87.67 C +ATOM 194 CD1 TRP I 803 -30.069 101.350 3.461 1.00 89.46 C +ATOM 195 CD2 TRP I 803 -30.308 99.700 4.940 1.00 87.16 C +ATOM 196 NE1 TRP I 803 -29.279 101.662 4.539 1.00 88.22 N +ATOM 197 CE2 TRP I 803 -29.404 100.669 5.466 1.00 87.77 C +ATOM 198 CE3 TRP I 803 -30.612 98.575 5.699 1.00 88.59 C +ATOM 199 CZ2 TRP I 803 -28.807 100.542 6.710 1.00 88.76 C +ATOM 200 CZ3 TRP I 803 -30.019 98.444 6.942 1.00 92.98 C +ATOM 201 CH2 TRP I 803 -29.121 99.428 7.438 1.00 93.56 C +ATOM 202 N PRO I 804 -28.701 99.525 1.549 1.00 85.30 N +ATOM 203 CA PRO I 804 -27.391 100.163 1.388 1.00 84.13 C +ATOM 204 C PRO I 804 -27.029 100.466 -0.060 1.00 84.47 C +ATOM 205 O PRO I 804 -26.178 101.315 -0.334 1.00 83.07 O +ATOM 206 CB PRO I 804 -26.446 99.161 2.030 1.00 85.03 C +ATOM 207 CG PRO I 804 -27.307 98.501 3.059 1.00 84.81 C +ATOM 208 CD PRO I 804 -28.557 98.254 2.277 1.00 84.35 C +ATOM 209 N ALA I 805 -27.656 99.753 -0.989 1.00 84.32 N +ATOM 210 CA ALA I 805 -27.402 100.004 -2.395 1.00 84.57 C +ATOM 211 C ALA I 805 -28.011 101.374 -2.581 1.00 85.00 C +ATOM 212 O ALA I 805 -27.306 102.358 -2.802 1.00 86.82 O +ATOM 213 CB ALA I 805 -28.112 98.986 -3.261 1.00 83.24 C +ATOM 214 N VAL I 806 -29.329 101.433 -2.444 1.00 84.48 N +ATOM 215 CA VAL I 806 -30.057 102.684 -2.572 1.00 83.54 C +ATOM 216 C VAL I 806 -29.325 103.789 -1.813 1.00 81.89 C +ATOM 217 O VAL I 806 -29.138 104.879 -2.324 1.00 82.52 O +ATOM 218 CB VAL I 806 -31.496 102.563 -2.005 1.00 83.06 C +ATOM 219 CG1 VAL I 806 -32.303 103.775 -2.392 1.00 81.39 C +ATOM 220 CG2 VAL I 806 -32.165 101.303 -2.524 1.00 81.90 C +ATOM 221 N ALA I 807 -28.885 103.501 -0.602 1.00 80.73 N +ATOM 222 CA ALA I 807 -28.204 104.520 0.173 1.00 81.94 C +ATOM 223 C ALA I 807 -26.958 105.039 -0.513 1.00 82.31 C +ATOM 224 O ALA I 807 -26.890 106.213 -0.866 1.00 81.53 O +ATOM 225 CB ALA I 807 -27.854 103.989 1.551 1.00 83.00 C +ATOM 226 N LEU I 808 -25.973 104.163 -0.694 1.00 84.03 N +ATOM 227 CA LEU I 808 -24.709 104.538 -1.324 1.00 84.30 C +ATOM 228 C LEU I 808 -24.940 105.248 -2.644 1.00 83.99 C +ATOM 229 O LEU I 808 -24.208 106.171 -2.988 1.00 82.65 O +ATOM 230 CB LEU I 808 -23.828 103.305 -1.552 1.00 84.54 C +ATOM 231 CG LEU I 808 -23.409 102.497 -0.317 1.00 85.22 C +ATOM 232 CD1 LEU I 808 -22.535 101.339 -0.756 1.00 85.91 C +ATOM 233 CD2 LEU I 808 -22.656 103.370 0.670 1.00 84.93 C +ATOM 234 N HIS I 809 -25.964 104.820 -3.375 1.00 84.61 N +ATOM 235 CA HIS I 809 -26.282 105.426 -4.659 1.00 85.86 C +ATOM 236 C HIS I 809 -26.832 106.821 -4.549 1.00 86.22 C +ATOM 237 O HIS I 809 -26.787 107.570 -5.513 1.00 87.48 O +ATOM 238 CB HIS I 809 -27.267 104.574 -5.439 1.00 87.26 C +ATOM 239 CG HIS I 809 -26.613 103.708 -6.462 1.00 90.35 C +ATOM 240 ND1 HIS I 809 -26.550 102.337 -6.349 1.00 91.03 N +ATOM 241 CD2 HIS I 809 -25.949 104.026 -7.598 1.00 91.54 C +ATOM 242 CE1 HIS I 809 -25.876 101.847 -7.373 1.00 92.59 C +ATOM 243 NE2 HIS I 809 -25.499 102.851 -8.145 1.00 92.65 N +ATOM 244 N LEU I 810 -27.367 107.162 -3.383 1.00 86.97 N +ATOM 245 CA LEU I 810 -27.917 108.494 -3.149 1.00 86.42 C +ATOM 246 C LEU I 810 -26.825 109.367 -2.583 1.00 86.34 C +ATOM 247 O LEU I 810 -27.090 110.444 -2.068 1.00 87.05 O +ATOM 248 CB LEU I 810 -29.066 108.457 -2.139 1.00 85.45 C +ATOM 249 CG LEU I 810 -30.441 107.930 -2.548 1.00 84.88 C +ATOM 250 CD1 LEU I 810 -31.403 108.212 -1.403 1.00 84.41 C +ATOM 251 CD2 LEU I 810 -30.934 108.596 -3.827 1.00 83.94 C +ATOM 252 N GLY I 811 -25.596 108.883 -2.660 1.00 86.33 N +ATOM 253 CA GLY I 811 -24.482 109.644 -2.135 1.00 86.90 C +ATOM 254 C GLY I 811 -24.281 109.428 -0.649 1.00 87.05 C +ATOM 255 O GLY I 811 -23.344 109.970 -0.064 1.00 86.99 O +ATOM 256 N VAL I 812 -25.148 108.632 -0.034 1.00 87.59 N +ATOM 257 CA VAL I 812 -25.029 108.381 1.393 1.00 88.73 C +ATOM 258 C VAL I 812 -23.696 107.745 1.713 1.00 88.80 C +ATOM 259 O VAL I 812 -23.361 106.700 1.173 1.00 87.90 O +ATOM 260 CB VAL I 812 -26.135 107.462 1.900 1.00 89.29 C +ATOM 261 CG1 VAL I 812 -26.175 107.513 3.409 1.00 89.13 C +ATOM 262 CG2 VAL I 812 -27.466 107.886 1.321 1.00 91.04 C +ATOM 263 N SER I 813 -22.941 108.391 2.594 1.00 90.68 N +ATOM 264 CA SER I 813 -21.628 107.901 2.992 1.00 92.78 C +ATOM 265 C SER I 813 -21.731 106.475 3.460 1.00 93.04 C +ATOM 266 O SER I 813 -22.770 106.076 3.962 1.00 94.22 O +ATOM 267 CB SER I 813 -21.075 108.736 4.138 1.00 94.47 C +ATOM 268 OG SER I 813 -20.045 108.017 4.797 1.00 95.26 O +ATOM 269 N TYR I 814 -20.664 105.700 3.317 1.00 93.53 N +ATOM 270 CA TYR I 814 -20.740 104.329 3.776 1.00 94.95 C +ATOM 271 C TYR I 814 -20.578 104.254 5.293 1.00 96.77 C +ATOM 272 O TYR I 814 -21.008 103.277 5.902 1.00 98.00 O +ATOM 273 CB TYR I 814 -19.697 103.431 3.102 1.00 94.76 C +ATOM 274 CG TYR I 814 -19.899 101.975 3.460 1.00 94.81 C +ATOM 275 CD1 TYR I 814 -21.082 101.315 3.114 1.00 95.60 C +ATOM 276 CD2 TYR I 814 -18.955 101.277 4.214 1.00 94.89 C +ATOM 277 CE1 TYR I 814 -21.330 99.985 3.517 1.00 95.62 C +ATOM 278 CE2 TYR I 814 -19.191 99.946 4.627 1.00 95.57 C +ATOM 279 CZ TYR I 814 -20.382 99.307 4.273 1.00 95.50 C +ATOM 280 OH TYR I 814 -20.623 97.999 4.659 1.00 93.16 O +ATOM 281 N ARG I 815 -19.966 105.258 5.920 1.00 97.33 N +ATOM 282 CA ARG I 815 -19.834 105.194 7.372 1.00 98.49 C +ATOM 283 C ARG I 815 -21.210 105.520 7.948 1.00 98.53 C +ATOM 284 O ARG I 815 -21.504 105.188 9.094 1.00 98.95 O +ATOM 285 CB ARG I 815 -18.780 106.178 7.903 1.00100.12 C +ATOM 286 CG ARG I 815 -18.087 105.743 9.223 1.00102.26 C +ATOM 287 CD ARG I 815 -19.049 105.589 10.431 1.00107.06 C +ATOM 288 NE ARG I 815 -19.709 106.848 10.831 1.00113.33 N +ATOM 289 CZ ARG I 815 -20.539 107.003 11.875 1.00113.26 C +ATOM 290 NH1 ARG I 815 -21.081 108.196 12.133 1.00110.57 N +ATOM 291 NH2 ARG I 815 -20.825 105.977 12.669 1.00113.54 N +ATOM 292 N GLU I 816 -22.062 106.157 7.148 1.00 98.82 N +ATOM 293 CA GLU I 816 -23.413 106.484 7.602 1.00100.23 C +ATOM 294 C GLU I 816 -24.280 105.244 7.474 1.00 99.86 C +ATOM 295 O GLU I 816 -25.075 104.943 8.359 1.00100.27 O +ATOM 296 CB GLU I 816 -24.020 107.632 6.783 1.00102.75 C +ATOM 297 CG GLU I 816 -24.093 108.980 7.529 1.00105.11 C +ATOM 298 CD GLU I 816 -25.184 109.035 8.604 1.00105.51 C +ATOM 299 OE1 GLU I 816 -26.386 109.051 8.237 1.00105.97 O +ATOM 300 OE2 GLU I 816 -24.834 109.066 9.809 1.00104.60 O +ATOM 301 N VAL I 817 -24.133 104.531 6.364 1.00 99.30 N +ATOM 302 CA VAL I 817 -24.881 103.303 6.162 1.00 99.48 C +ATOM 303 C VAL I 817 -24.444 102.370 7.291 1.00100.89 C +ATOM 304 O VAL I 817 -25.254 101.647 7.865 1.00101.86 O +ATOM 305 CB VAL I 817 -24.524 102.646 4.820 1.00 98.29 C +ATOM 306 CG1 VAL I 817 -25.280 101.344 4.660 1.00 98.78 C +ATOM 307 CG2 VAL I 817 -24.845 103.581 3.687 1.00 97.90 C +ATOM 308 N GLN I 818 -23.150 102.418 7.598 1.00101.49 N +ATOM 309 CA GLN I 818 -22.517 101.612 8.642 1.00102.54 C +ATOM 310 C GLN I 818 -23.094 101.972 10.000 1.00102.20 C +ATOM 311 O GLN I 818 -23.506 101.107 10.760 1.00100.90 O +ATOM 312 CB GLN I 818 -21.010 101.896 8.651 1.00105.15 C +ATOM 313 CG GLN I 818 -20.120 100.837 9.289 1.00108.11 C +ATOM 314 CD GLN I 818 -19.352 100.018 8.251 1.00110.49 C +ATOM 315 OE1 GLN I 818 -19.948 99.267 7.473 1.00112.02 O +ATOM 316 NE2 GLN I 818 -18.026 100.167 8.232 1.00109.91 N +ATOM 317 N ARG I 819 -23.103 103.267 10.292 1.00104.35 N +ATOM 318 CA ARG I 819 -23.614 103.806 11.554 1.00106.72 C +ATOM 319 C ARG I 819 -25.109 103.509 11.729 1.00106.38 C +ATOM 320 O ARG I 819 -25.523 102.950 12.746 1.00105.26 O +ATOM 321 CB ARG I 819 -23.370 105.325 11.597 1.00108.94 C +ATOM 322 CG ARG I 819 -23.896 106.032 12.843 1.00111.55 C +ATOM 323 CD ARG I 819 -24.423 107.428 12.503 1.00112.98 C +ATOM 324 NE ARG I 819 -25.623 107.738 13.282 1.00114.56 N +ATOM 325 CZ ARG I 819 -26.760 108.207 12.767 1.00115.69 C +ATOM 326 NH1 ARG I 819 -26.868 108.433 11.461 1.00114.93 N +ATOM 327 NH2 ARG I 819 -27.800 108.438 13.560 1.00116.34 N +ATOM 328 N ILE I 820 -25.910 103.899 10.739 1.00106.12 N +ATOM 329 CA ILE I 820 -27.345 103.665 10.779 1.00106.05 C +ATOM 330 C ILE I 820 -27.596 102.205 11.085 1.00107.54 C +ATOM 331 O ILE I 820 -28.285 101.878 12.046 1.00108.12 O +ATOM 332 CB ILE I 820 -28.017 103.988 9.438 1.00105.31 C +ATOM 333 CG1 ILE I 820 -27.955 105.491 9.177 1.00106.45 C +ATOM 334 CG2 ILE I 820 -29.458 103.498 9.445 1.00103.05 C +ATOM 335 CD1 ILE I 820 -28.550 105.921 7.836 1.00107.75 C +ATOM 336 N ARG I 821 -27.030 101.325 10.268 1.00108.93 N +ATOM 337 CA ARG I 821 -27.218 99.898 10.475 1.00110.36 C +ATOM 338 C ARG I 821 -27.006 99.548 11.943 1.00112.91 C +ATOM 339 O ARG I 821 -27.921 99.062 12.596 1.00115.08 O +ATOM 340 CB ARG I 821 -26.254 99.074 9.613 1.00107.99 C +ATOM 341 CG ARG I 821 -26.829 97.737 9.123 1.00104.18 C +ATOM 342 CD ARG I 821 -25.784 96.639 9.138 1.00102.06 C +ATOM 343 NE ARG I 821 -24.493 97.098 8.638 1.00100.59 N +ATOM 344 CZ ARG I 821 -24.167 97.204 7.354 1.00101.43 C +ATOM 345 NH1 ARG I 821 -25.034 96.877 6.397 1.00101.43 N +ATOM 346 NH2 ARG I 821 -22.966 97.659 7.027 1.00101.91 N +ATOM 347 N HIS I 822 -25.820 99.813 12.478 1.00114.83 N +ATOM 348 CA HIS I 822 -25.556 99.474 13.874 1.00117.66 C +ATOM 349 C HIS I 822 -26.459 100.129 14.907 1.00118.72 C +ATOM 350 O HIS I 822 -26.870 99.493 15.875 1.00119.27 O +ATOM 351 CB HIS I 822 -24.123 99.805 14.266 1.00119.35 C +ATOM 352 CG HIS I 822 -23.861 99.611 15.725 1.00121.87 C +ATOM 353 ND1 HIS I 822 -23.805 98.363 16.310 1.00123.17 N +ATOM 354 CD2 HIS I 822 -23.708 100.506 16.730 1.00122.95 C +ATOM 355 CE1 HIS I 822 -23.628 98.497 17.612 1.00124.00 C +ATOM 356 NE2 HIS I 822 -23.567 99.788 17.893 1.00124.26 N +ATOM 357 N GLU I 823 -26.747 101.406 14.709 1.00120.09 N +ATOM 358 CA GLU I 823 -27.563 102.162 15.642 1.00120.99 C +ATOM 359 C GLU I 823 -29.033 101.733 15.657 1.00120.62 C +ATOM 360 O GLU I 823 -29.869 102.379 16.277 1.00120.47 O +ATOM 361 CB GLU I 823 -27.421 103.646 15.305 1.00123.15 C +ATOM 362 CG GLU I 823 -27.635 104.590 16.466 1.00125.28 C +ATOM 363 CD GLU I 823 -28.995 105.234 16.419 1.00127.19 C +ATOM 364 OE1 GLU I 823 -29.299 105.894 15.396 1.00127.29 O +ATOM 365 OE2 GLU I 823 -29.754 105.080 17.401 1.00127.79 O +ATOM 366 N PHE I 824 -29.336 100.632 14.979 1.00120.76 N +ATOM 367 CA PHE I 824 -30.692 100.088 14.906 1.00120.98 C +ATOM 368 C PHE I 824 -30.612 98.643 14.423 1.00120.79 C +ATOM 369 O PHE I 824 -31.581 98.104 13.890 1.00120.16 O +ATOM 370 CB PHE I 824 -31.546 100.863 13.900 1.00121.71 C +ATOM 371 CG PHE I 824 -31.833 102.286 14.287 1.00123.19 C +ATOM 372 CD1 PHE I 824 -31.052 103.327 13.794 1.00124.01 C +ATOM 373 CD2 PHE I 824 -32.932 102.595 15.082 1.00123.71 C +ATOM 374 CE1 PHE I 824 -31.369 104.660 14.076 1.00123.78 C +ATOM 375 CE2 PHE I 824 -33.256 103.924 15.370 1.00124.42 C +ATOM 376 CZ PHE I 824 -32.473 104.958 14.862 1.00124.51 C +ATOM 377 N ARG I 825 -29.451 98.026 14.613 1.00121.12 N +ATOM 378 CA ARG I 825 -29.187 96.660 14.162 1.00121.40 C +ATOM 379 C ARG I 825 -30.287 95.626 14.350 1.00120.37 C +ATOM 380 O ARG I 825 -30.539 94.815 13.463 1.00119.45 O +ATOM 381 CB ARG I 825 -27.883 96.154 14.791 1.00122.98 C +ATOM 382 CG ARG I 825 -27.786 96.318 16.295 1.00124.82 C +ATOM 383 CD ARG I 825 -26.346 96.109 16.755 1.00126.94 C +ATOM 384 NE ARG I 825 -26.225 96.041 18.209 1.00128.42 N +ATOM 385 CZ ARG I 825 -26.553 97.025 19.039 1.00128.73 C +ATOM 386 NH1 ARG I 825 -27.030 98.172 18.570 1.00128.74 N +ATOM 387 NH2 ARG I 825 -26.404 96.859 20.345 1.00129.38 N +ATOM 388 N ASP I 826 -30.942 95.649 15.500 1.00120.48 N +ATOM 389 CA ASP I 826 -32.011 94.697 15.771 1.00119.34 C +ATOM 390 C ASP I 826 -33.308 94.963 14.991 1.00116.38 C +ATOM 391 O ASP I 826 -34.126 94.060 14.817 1.00114.94 O +ATOM 392 CB ASP I 826 -32.290 94.629 17.294 1.00122.32 C +ATOM 393 CG ASP I 826 -32.209 96.005 18.002 1.00125.27 C +ATOM 394 OD1 ASP I 826 -32.420 96.038 19.240 1.00125.61 O +ATOM 395 OD2 ASP I 826 -31.937 97.044 17.350 1.00126.80 O +ATOM 396 N ASP I 827 -33.478 96.188 14.497 1.00113.93 N +ATOM 397 CA ASP I 827 -34.687 96.555 13.763 1.00111.95 C +ATOM 398 C ASP I 827 -34.439 97.002 12.324 1.00109.11 C +ATOM 399 O ASP I 827 -34.287 98.192 12.051 1.00108.17 O +ATOM 400 CB ASP I 827 -35.422 97.664 14.513 1.00114.30 C +ATOM 401 CG ASP I 827 -36.803 97.939 13.945 1.00116.85 C +ATOM 402 OD1 ASP I 827 -37.505 98.817 14.502 1.00119.13 O +ATOM 403 OD2 ASP I 827 -37.188 97.281 12.948 1.00116.70 O +ATOM 404 N LEU I 828 -34.431 96.048 11.402 1.00106.27 N +ATOM 405 CA LEU I 828 -34.185 96.356 10.002 1.00104.33 C +ATOM 406 C LEU I 828 -35.036 97.493 9.477 1.00104.64 C +ATOM 407 O LEU I 828 -34.532 98.384 8.809 1.00106.17 O +ATOM 408 CB LEU I 828 -34.409 95.122 9.125 1.00102.77 C +ATOM 409 CG LEU I 828 -34.324 95.396 7.619 1.00100.32 C +ATOM 410 CD1 LEU I 828 -32.962 95.962 7.306 1.00100.20 C +ATOM 411 CD2 LEU I 828 -34.567 94.131 6.820 1.00 98.99 C +ATOM 412 N ASP I 829 -36.326 97.466 9.780 1.00104.86 N +ATOM 413 CA ASP I 829 -37.240 98.492 9.302 1.00105.31 C +ATOM 414 C ASP I 829 -36.974 99.903 9.766 1.00106.05 C +ATOM 415 O ASP I 829 -37.390 100.850 9.097 1.00105.66 O +ATOM 416 CB ASP I 829 -38.670 98.132 9.662 1.00105.45 C +ATOM 417 CG ASP I 829 -39.349 97.383 8.570 1.00106.35 C +ATOM 418 OD1 ASP I 829 -39.414 97.940 7.452 1.00105.72 O +ATOM 419 OD2 ASP I 829 -39.808 96.247 8.825 1.00107.39 O +ATOM 420 N GLU I 830 -36.300 100.048 10.907 1.00106.56 N +ATOM 421 CA GLU I 830 -36.003 101.370 11.445 1.00106.88 C +ATOM 422 C GLU I 830 -34.812 101.933 10.709 1.00105.98 C +ATOM 423 O GLU I 830 -34.634 103.143 10.632 1.00107.10 O +ATOM 424 CB GLU I 830 -35.703 101.304 12.938 1.00109.38 C +ATOM 425 CG GLU I 830 -35.755 102.664 13.622 1.00114.93 C +ATOM 426 CD GLU I 830 -37.139 103.310 13.573 1.00118.22 C +ATOM 427 OE1 GLU I 830 -38.093 102.728 14.143 1.00119.82 O +ATOM 428 OE2 GLU I 830 -37.269 104.402 12.969 1.00119.15 O +ATOM 429 N GLN I 831 -33.993 101.042 10.170 1.00104.59 N +ATOM 430 CA GLN I 831 -32.836 101.455 9.398 1.00103.53 C +ATOM 431 C GLN I 831 -33.301 102.059 8.082 1.00103.72 C +ATOM 432 O GLN I 831 -33.013 103.213 7.797 1.00103.79 O +ATOM 433 CB GLN I 831 -31.947 100.262 9.113 1.00102.41 C +ATOM 434 CG GLN I 831 -31.193 99.764 10.313 1.00102.36 C +ATOM 435 CD GLN I 831 -30.642 98.381 10.079 1.00102.50 C +ATOM 436 OE1 GLN I 831 -29.700 97.957 10.739 1.00103.38 O +ATOM 437 NE2 GLN I 831 -31.241 97.660 9.137 1.00101.22 N +ATOM 438 N ILE I 832 -34.030 101.280 7.285 1.00104.57 N +ATOM 439 CA ILE I 832 -34.521 101.759 5.998 1.00105.38 C +ATOM 440 C ILE I 832 -35.243 103.082 6.118 1.00107.11 C +ATOM 441 O ILE I 832 -35.266 103.861 5.171 1.00107.56 O +ATOM 442 CB ILE I 832 -35.502 100.790 5.347 1.00104.81 C +ATOM 443 CG1 ILE I 832 -34.844 99.429 5.142 1.00106.12 C +ATOM 444 CG2 ILE I 832 -35.947 101.352 4.011 1.00104.14 C +ATOM 445 CD1 ILE I 832 -35.770 98.381 4.526 1.00106.30 C +ATOM 446 N ARG I 833 -35.854 103.335 7.269 1.00109.40 N +ATOM 447 CA ARG I 833 -36.560 104.591 7.449 1.00111.31 C +ATOM 448 C ARG I 833 -35.620 105.710 7.887 1.00111.43 C +ATOM 449 O ARG I 833 -35.623 106.781 7.290 1.00112.31 O +ATOM 450 CB ARG I 833 -37.739 104.428 8.426 1.00113.05 C +ATOM 451 CG ARG I 833 -39.005 103.853 7.747 1.00115.58 C +ATOM 452 CD ARG I 833 -40.296 103.916 8.604 1.00117.86 C +ATOM 453 NE ARG I 833 -40.292 103.000 9.748 1.00119.63 N +ATOM 454 CZ ARG I 833 -39.843 103.306 10.965 1.00120.48 C +ATOM 455 NH1 ARG I 833 -39.361 104.518 11.224 1.00119.84 N +ATOM 456 NH2 ARG I 833 -39.852 102.385 11.922 1.00120.43 N +ATOM 457 N HIS I 834 -34.797 105.475 8.901 1.00111.13 N +ATOM 458 CA HIS I 834 -33.878 106.518 9.335 1.00111.35 C +ATOM 459 C HIS I 834 -32.972 106.993 8.182 1.00109.94 C +ATOM 460 O HIS I 834 -32.694 108.183 8.058 1.00110.30 O +ATOM 461 CB HIS I 834 -33.031 106.018 10.506 1.00115.37 C +ATOM 462 CG HIS I 834 -32.002 107.003 10.974 1.00121.58 C +ATOM 463 ND1 HIS I 834 -31.056 107.553 10.132 1.00123.56 N +ATOM 464 CD2 HIS I 834 -31.756 107.522 12.203 1.00124.25 C +ATOM 465 CE1 HIS I 834 -30.271 108.366 10.820 1.00124.61 C +ATOM 466 NE2 HIS I 834 -30.675 108.365 12.080 1.00125.68 N +ATOM 467 N MET I 835 -32.524 106.070 7.334 1.00108.14 N +ATOM 468 CA MET I 835 -31.652 106.409 6.201 1.00105.45 C +ATOM 469 C MET I 835 -32.380 107.247 5.163 1.00105.58 C +ATOM 470 O MET I 835 -31.898 108.304 4.765 1.00105.56 O +ATOM 471 CB MET I 835 -31.110 105.124 5.548 1.00103.44 C +ATOM 472 CG MET I 835 -30.261 105.274 4.272 1.00100.23 C +ATOM 473 SD MET I 835 -31.176 105.661 2.732 1.00100.96 S +ATOM 474 CE MET I 835 -32.033 104.128 2.326 1.00 98.31 C +ATOM 475 N LEU I 836 -33.550 106.775 4.743 1.00106.45 N +ATOM 476 CA LEU I 836 -34.359 107.447 3.729 1.00107.13 C +ATOM 477 C LEU I 836 -34.917 108.820 4.111 1.00108.61 C +ATOM 478 O LEU I 836 -35.039 109.694 3.261 1.00108.23 O +ATOM 479 CB LEU I 836 -35.507 106.540 3.319 1.00105.74 C +ATOM 480 CG LEU I 836 -35.940 106.764 1.883 1.00106.63 C +ATOM 481 CD1 LEU I 836 -34.750 106.537 0.958 1.00106.69 C +ATOM 482 CD2 LEU I 836 -37.068 105.818 1.544 1.00107.66 C +ATOM 483 N PHE I 837 -35.264 109.011 5.381 1.00110.79 N +ATOM 484 CA PHE I 837 -35.797 110.292 5.838 1.00112.35 C +ATOM 485 C PHE I 837 -34.681 111.271 6.173 1.00112.90 C +ATOM 486 O PHE I 837 -34.808 112.463 5.894 1.00114.22 O +ATOM 487 CB PHE I 837 -36.712 110.095 7.052 1.00113.93 C +ATOM 488 CG PHE I 837 -38.097 109.609 6.696 1.00116.27 C +ATOM 489 CD1 PHE I 837 -38.309 108.814 5.567 1.00117.33 C +ATOM 490 CD2 PHE I 837 -39.187 109.919 7.499 1.00116.26 C +ATOM 491 CE1 PHE I 837 -39.582 108.337 5.248 1.00116.60 C +ATOM 492 CE2 PHE I 837 -40.462 109.443 7.183 1.00116.40 C +ATOM 493 CZ PHE I 837 -40.654 108.651 6.054 1.00116.04 C +ATOM 494 N SER I 838 -33.597 110.776 6.774 1.00112.50 N +ATOM 495 CA SER I 838 -32.451 111.629 7.108 1.00112.09 C +ATOM 496 C SER I 838 -31.961 112.308 5.832 1.00111.61 C +ATOM 497 O SER I 838 -31.552 113.472 5.840 1.00111.54 O +ATOM 498 CB SER I 838 -31.299 110.800 7.692 1.00111.90 C +ATOM 499 OG SER I 838 -31.466 110.583 9.077 1.00112.06 O +ATOM 500 N TRP I 839 -32.008 111.552 4.740 1.00110.16 N +ATOM 501 CA TRP I 839 -31.577 112.019 3.437 1.00108.04 C +ATOM 502 C TRP I 839 -32.624 112.894 2.782 1.00109.40 C +ATOM 503 O TRP I 839 -32.286 113.867 2.119 1.00110.15 O +ATOM 504 CB TRP I 839 -31.293 110.830 2.535 1.00103.99 C +ATOM 505 CG TRP I 839 -31.109 111.216 1.118 1.00 99.13 C +ATOM 506 CD1 TRP I 839 -29.943 111.557 0.508 1.00 98.97 C +ATOM 507 CD2 TRP I 839 -32.128 111.315 0.125 1.00 95.35 C +ATOM 508 NE1 TRP I 839 -30.171 111.859 -0.811 1.00 96.66 N +ATOM 509 CE2 TRP I 839 -31.506 111.718 -1.071 1.00 94.74 C +ATOM 510 CE3 TRP I 839 -33.505 111.100 0.131 1.00 93.47 C +ATOM 511 CZ2 TRP I 839 -32.213 111.911 -2.252 1.00 94.25 C +ATOM 512 CZ3 TRP I 839 -34.208 111.289 -1.041 1.00 93.94 C +ATOM 513 CH2 TRP I 839 -33.562 111.691 -2.220 1.00 94.49 C +ATOM 514 N ALA I 840 -33.893 112.536 2.947 1.00111.24 N +ATOM 515 CA ALA I 840 -34.986 113.310 2.360 1.00113.20 C +ATOM 516 C ALA I 840 -34.981 114.744 2.900 1.00114.58 C +ATOM 517 O ALA I 840 -35.457 115.677 2.236 1.00113.31 O +ATOM 518 CB ALA I 840 -36.316 112.639 2.662 1.00113.63 C +ATOM 519 N GLU I 841 -34.435 114.896 4.108 1.00116.32 N +ATOM 520 CA GLU I 841 -34.324 116.187 4.781 1.00117.80 C +ATOM 521 C GLU I 841 -33.188 117.022 4.219 1.00118.29 C +ATOM 522 O GLU I 841 -33.396 118.172 3.840 1.00118.79 O +ATOM 523 CB GLU I 841 -34.089 115.996 6.275 1.00118.60 C +ATOM 524 CG GLU I 841 -35.345 115.794 7.090 1.00120.64 C +ATOM 525 CD GLU I 841 -35.045 115.763 8.573 1.00121.64 C +ATOM 526 OE1 GLU I 841 -34.239 116.608 9.027 1.00121.21 O +ATOM 527 OE2 GLU I 841 -35.615 114.902 9.280 1.00122.12 O +ATOM 528 N ARG I 842 -31.987 116.445 4.183 1.00118.61 N +ATOM 529 CA ARG I 842 -30.815 117.136 3.657 1.00119.42 C +ATOM 530 C ARG I 842 -31.186 117.785 2.334 1.00120.16 C +ATOM 531 O ARG I 842 -30.580 118.772 1.927 1.00121.85 O +ATOM 532 CB ARG I 842 -29.658 116.156 3.425 1.00120.13 C +ATOM 533 CG ARG I 842 -29.076 115.535 4.682 1.00120.39 C +ATOM 534 CD ARG I 842 -28.263 114.301 4.338 1.00120.36 C +ATOM 535 NE ARG I 842 -28.347 113.311 5.409 1.00120.99 N +ATOM 536 CZ ARG I 842 -28.433 111.999 5.208 1.00121.53 C +ATOM 537 NH1 ARG I 842 -28.447 111.518 3.968 1.00121.02 N +ATOM 538 NH2 ARG I 842 -28.518 111.169 6.246 1.00121.03 N +ATOM 539 N GLN I 843 -32.184 117.218 1.666 1.00120.15 N +ATOM 540 CA GLN I 843 -32.656 117.735 0.389 1.00120.78 C +ATOM 541 C GLN I 843 -33.812 118.706 0.619 1.00122.23 C +ATOM 542 O GLN I 843 -34.775 118.729 -0.153 1.00123.19 O +ATOM 543 CB GLN I 843 -33.124 116.578 -0.497 1.00120.39 C +ATOM 544 CG GLN I 843 -32.280 116.312 -1.742 1.00116.57 C +ATOM 545 CD GLN I 843 -30.817 116.144 -1.437 1.00113.58 C +ATOM 546 OE1 GLN I 843 -30.446 115.575 -0.417 1.00111.18 O +ATOM 547 NE2 GLN I 843 -29.974 116.629 -2.331 1.00113.38 N +ATOM 548 N ALA I 844 -33.709 119.494 1.689 1.00123.30 N +ATOM 549 CA ALA I 844 -34.719 120.487 2.058 1.00123.67 C +ATOM 550 C ALA I 844 -35.361 121.106 0.812 1.00124.19 C +ATOM 551 O ALA I 844 -36.448 120.692 0.383 1.00123.74 O +ATOM 552 CB ALA I 844 -34.076 121.583 2.925 1.00122.44 C +ATOM 553 N GLY I 845 -34.693 122.105 0.240 1.00123.80 N +ATOM 554 CA GLY I 845 -35.218 122.722 -0.958 1.00123.91 C +ATOM 555 C GLY I 845 -34.895 121.763 -2.080 1.00124.70 C +ATOM 556 O GLY I 845 -35.560 120.742 -2.244 1.00124.78 O +ATOM 557 N GLN I 846 -33.858 122.103 -2.839 1.00125.83 N +ATOM 558 CA GLN I 846 -33.352 121.304 -3.950 1.00126.07 C +ATOM 559 C GLN I 846 -34.306 120.905 -5.069 1.00126.53 C +ATOM 560 O GLN I 846 -35.449 120.523 -4.834 1.00126.18 O +ATOM 561 CB GLN I 846 -32.661 120.063 -3.397 1.00126.84 C +ATOM 562 CG GLN I 846 -31.560 120.407 -2.410 1.00127.39 C +ATOM 563 CD GLN I 846 -30.863 121.708 -2.762 1.00127.02 C +ATOM 564 OE1 GLN I 846 -30.505 121.944 -3.915 1.00125.85 O +ATOM 565 NE2 GLN I 846 -30.666 122.560 -1.766 1.00127.78 N +ATOM 566 N PRO I 847 -33.815 120.967 -6.316 1.00127.63 N +ATOM 567 CA PRO I 847 -34.514 120.647 -7.564 1.00128.66 C +ATOM 568 C PRO I 847 -35.108 119.245 -7.653 1.00129.36 C +ATOM 569 O PRO I 847 -35.938 118.866 -6.824 1.00130.39 O +ATOM 570 CB PRO I 847 -33.441 120.885 -8.621 1.00128.47 C +ATOM 571 CG PRO I 847 -32.202 120.498 -7.905 1.00128.52 C +ATOM 572 CD PRO I 847 -32.387 121.198 -6.585 1.00128.07 C +ATOM 573 N GLY I 848 -34.678 118.491 -8.666 1.00128.96 N +ATOM 574 CA GLY I 848 -35.180 117.140 -8.881 1.00128.18 C +ATOM 575 C GLY I 848 -34.663 116.091 -7.912 1.00127.15 C +ATOM 576 O GLY I 848 -34.261 114.997 -8.319 1.00126.78 O +ATOM 577 N ALA I 849 -34.675 116.430 -6.626 1.00125.77 N +ATOM 578 CA ALA I 849 -34.221 115.530 -5.578 1.00123.88 C +ATOM 579 C ALA I 849 -35.087 114.279 -5.584 1.00122.71 C +ATOM 580 O ALA I 849 -34.748 113.269 -4.966 1.00122.96 O +ATOM 581 CB ALA I 849 -34.303 116.223 -4.229 1.00123.98 C +ATOM 582 N VAL I 850 -36.220 114.358 -6.272 1.00120.60 N +ATOM 583 CA VAL I 850 -37.110 113.218 -6.376 1.00119.67 C +ATOM 584 C VAL I 850 -36.579 112.351 -7.510 1.00119.62 C +ATOM 585 O VAL I 850 -36.685 111.120 -7.484 1.00120.15 O +ATOM 586 CB VAL I 850 -38.548 113.661 -6.673 1.00118.94 C +ATOM 587 CG1 VAL I 850 -39.379 112.484 -7.151 1.00119.07 C +ATOM 588 CG2 VAL I 850 -39.163 114.233 -5.419 1.00118.91 C +ATOM 589 N GLY I 851 -35.993 113.002 -8.506 1.00118.74 N +ATOM 590 CA GLY I 851 -35.427 112.263 -9.613 1.00117.30 C +ATOM 591 C GLY I 851 -34.255 111.449 -9.098 1.00116.36 C +ATOM 592 O GLY I 851 -33.963 110.377 -9.626 1.00116.92 O +ATOM 593 N LEU I 852 -33.584 111.960 -8.065 1.00114.27 N +ATOM 594 CA LEU I 852 -32.443 111.274 -7.471 1.00112.14 C +ATOM 595 C LEU I 852 -32.886 109.981 -6.817 1.00111.02 C +ATOM 596 O LEU I 852 -32.213 108.956 -6.924 1.00110.76 O +ATOM 597 CB LEU I 852 -31.773 112.158 -6.423 1.00112.37 C +ATOM 598 CG LEU I 852 -31.048 113.392 -6.945 1.00112.03 C +ATOM 599 CD1 LEU I 852 -30.270 114.047 -5.807 1.00110.42 C +ATOM 600 CD2 LEU I 852 -30.112 112.976 -8.075 1.00111.64 C +ATOM 601 N LEU I 853 -34.017 110.039 -6.126 1.00109.62 N +ATOM 602 CA LEU I 853 -34.557 108.864 -5.465 1.00108.64 C +ATOM 603 C LEU I 853 -34.878 107.830 -6.534 1.00108.17 C +ATOM 604 O LEU I 853 -34.542 106.655 -6.402 1.00108.85 O +ATOM 605 CB LEU I 853 -35.835 109.217 -4.711 1.00107.86 C +ATOM 606 CG LEU I 853 -36.419 108.103 -3.844 1.00106.90 C +ATOM 607 CD1 LEU I 853 -35.605 107.994 -2.566 1.00106.82 C +ATOM 608 CD2 LEU I 853 -37.864 108.402 -3.513 1.00105.18 C +ATOM 609 N VAL I 854 -35.525 108.280 -7.600 1.00106.62 N +ATOM 610 CA VAL I 854 -35.898 107.395 -8.690 1.00107.34 C +ATOM 611 C VAL I 854 -34.695 106.784 -9.414 1.00108.23 C +ATOM 612 O VAL I 854 -34.695 105.593 -9.732 1.00109.07 O +ATOM 613 CB VAL I 854 -36.788 108.143 -9.714 1.00107.15 C +ATOM 614 CG1 VAL I 854 -37.200 107.217 -10.860 1.00105.98 C +ATOM 615 CG2 VAL I 854 -38.014 108.677 -9.012 1.00108.46 C +ATOM 616 N GLN I 855 -33.670 107.591 -9.675 1.00108.77 N +ATOM 617 CA GLN I 855 -32.484 107.105 -10.379 1.00107.79 C +ATOM 618 C GLN I 855 -31.709 106.140 -9.484 1.00106.09 C +ATOM 619 O GLN I 855 -31.142 105.165 -9.967 1.00105.67 O +ATOM 620 CB GLN I 855 -31.598 108.287 -10.800 1.00109.51 C +ATOM 621 CG GLN I 855 -30.546 107.969 -11.862 1.00112.50 C +ATOM 622 CD GLN I 855 -29.536 109.102 -12.049 1.00114.97 C +ATOM 623 OE1 GLN I 855 -28.577 108.982 -12.816 1.00115.84 O +ATOM 624 NE2 GLN I 855 -29.748 110.206 -11.341 1.00116.95 N +ATOM 625 N ALA I 856 -31.692 106.406 -8.180 1.00103.84 N +ATOM 626 CA ALA I 856 -30.997 105.526 -7.251 1.00103.27 C +ATOM 627 C ALA I 856 -31.695 104.174 -7.295 1.00103.55 C +ATOM 628 O ALA I 856 -31.104 103.171 -7.693 1.00104.27 O +ATOM 629 CB ALA I 856 -31.041 106.093 -5.847 1.00102.18 C +ATOM 630 N LEU I 857 -32.960 104.149 -6.891 1.00102.93 N +ATOM 631 CA LEU I 857 -33.730 102.913 -6.917 1.00102.29 C +ATOM 632 C LEU I 857 -33.521 102.175 -8.240 1.00102.39 C +ATOM 633 O LEU I 857 -33.678 100.962 -8.314 1.00103.51 O +ATOM 634 CB LEU I 857 -35.229 103.200 -6.761 1.00100.50 C +ATOM 635 CG LEU I 857 -35.781 103.748 -5.449 1.00 99.23 C +ATOM 636 CD1 LEU I 857 -37.274 103.791 -5.558 1.00 99.29 C +ATOM 637 CD2 LEU I 857 -35.397 102.867 -4.285 1.00 99.94 C +ATOM 638 N GLU I 858 -33.160 102.911 -9.282 1.00102.09 N +ATOM 639 CA GLU I 858 -32.982 102.328 -10.602 1.00101.68 C +ATOM 640 C GLU I 858 -31.656 101.626 -10.802 1.00 99.77 C +ATOM 641 O GLU I 858 -31.593 100.609 -11.495 1.00 98.95 O +ATOM 642 CB GLU I 858 -33.145 103.414 -11.650 1.00105.90 C +ATOM 643 CG GLU I 858 -33.568 102.911 -13.003 1.00110.88 C +ATOM 644 CD GLU I 858 -34.392 103.954 -13.729 1.00114.36 C +ATOM 645 OE1 GLU I 858 -35.422 104.389 -13.156 1.00115.48 O +ATOM 646 OE2 GLU I 858 -34.012 104.342 -14.860 1.00116.09 O +ATOM 647 N GLN I 859 -30.596 102.181 -10.220 1.00 97.75 N +ATOM 648 CA GLN I 859 -29.277 101.576 -10.329 1.00 95.59 C +ATOM 649 C GLN I 859 -29.048 100.682 -9.136 1.00 94.43 C +ATOM 650 O GLN I 859 -27.951 100.181 -8.911 1.00 93.83 O +ATOM 651 CB GLN I 859 -28.183 102.631 -10.400 1.00 96.60 C +ATOM 652 CG GLN I 859 -28.633 104.044 -10.171 1.00 97.93 C +ATOM 653 CD GLN I 859 -27.658 105.026 -10.771 1.00 99.06 C +ATOM 654 OE1 GLN I 859 -27.431 105.011 -11.984 1.00 99.39 O +ATOM 655 NE2 GLN I 859 -27.064 105.878 -9.934 1.00 99.18 N +ATOM 656 N SER I 860 -30.104 100.511 -8.355 1.00 93.92 N +ATOM 657 CA SER I 860 -30.074 99.641 -7.199 1.00 93.04 C +ATOM 658 C SER I 860 -30.911 98.441 -7.627 1.00 92.90 C +ATOM 659 O SER I 860 -31.466 97.725 -6.814 1.00 91.44 O +ATOM 660 CB SER I 860 -30.684 100.348 -5.982 1.00 93.12 C +ATOM 661 OG SER I 860 -29.769 101.265 -5.390 1.00 89.71 O +ATOM 662 N ASP I 861 -30.983 98.254 -8.940 1.00 95.66 N +ATOM 663 CA ASP I 861 -31.726 97.172 -9.578 1.00 99.24 C +ATOM 664 C ASP I 861 -33.182 97.015 -9.148 1.00100.87 C +ATOM 665 O ASP I 861 -33.732 95.912 -9.185 1.00101.01 O +ATOM 666 CB ASP I 861 -30.994 95.843 -9.386 1.00101.17 C +ATOM 667 CG ASP I 861 -30.346 95.346 -10.670 1.00103.20 C +ATOM 668 OD1 ASP I 861 -31.004 95.439 -11.731 1.00103.86 O +ATOM 669 OD2 ASP I 861 -29.193 94.855 -10.621 1.00103.76 O +ATOM 670 N ARG I 862 -33.812 98.123 -8.769 1.00102.84 N +ATOM 671 CA ARG I 862 -35.201 98.098 -8.333 1.00104.25 C +ATOM 672 C ARG I 862 -36.127 99.018 -9.138 1.00106.17 C +ATOM 673 O ARG I 862 -36.696 99.970 -8.595 1.00106.30 O +ATOM 674 CB ARG I 862 -35.274 98.458 -6.851 1.00103.52 C +ATOM 675 CG ARG I 862 -34.342 97.631 -5.989 1.00103.91 C +ATOM 676 CD ARG I 862 -34.872 96.217 -5.719 1.00104.29 C +ATOM 677 NE ARG I 862 -35.689 96.179 -4.506 1.00102.45 N +ATOM 678 CZ ARG I 862 -37.007 96.337 -4.481 1.00100.40 C +ATOM 679 NH1 ARG I 862 -37.675 96.532 -5.608 1.00 99.68 N +ATOM 680 NH2 ARG I 862 -37.648 96.331 -3.323 1.00 98.26 N +ATOM 681 N GLN I 863 -36.260 98.734 -10.436 1.00108.22 N +ATOM 682 CA GLN I 863 -37.161 99.478 -11.321 1.00109.85 C +ATOM 683 C GLN I 863 -38.461 99.379 -10.545 1.00111.40 C +ATOM 684 O GLN I 863 -39.305 100.270 -10.540 1.00111.28 O +ATOM 685 CB GLN I 863 -37.320 98.731 -12.638 1.00110.30 C +ATOM 686 CG GLN I 863 -37.897 99.559 -13.735 1.00112.18 C +ATOM 687 CD GLN I 863 -36.891 100.547 -14.248 1.00114.38 C +ATOM 688 OE1 GLN I 863 -37.241 101.499 -14.943 1.00116.11 O +ATOM 689 NE2 GLN I 863 -35.619 100.324 -13.915 1.00114.29 N +ATOM 690 N ASP I 864 -38.568 98.226 -9.899 1.00114.05 N +ATOM 691 CA ASP I 864 -39.649 97.820 -9.023 1.00115.18 C +ATOM 692 C ASP I 864 -40.263 99.060 -8.380 1.00114.57 C +ATOM 693 O ASP I 864 -41.335 99.523 -8.765 1.00114.04 O +ATOM 694 CB ASP I 864 -39.037 96.921 -7.938 1.00117.33 C +ATOM 695 CG ASP I 864 -40.000 95.883 -7.398 1.00120.68 C +ATOM 696 OD1 ASP I 864 -40.401 94.979 -8.171 1.00121.45 O +ATOM 697 OD2 ASP I 864 -40.344 95.965 -6.192 1.00122.25 O +ATOM 698 N VAL I 865 -39.555 99.596 -7.398 1.00113.75 N +ATOM 699 CA VAL I 865 -40.022 100.758 -6.677 1.00113.73 C +ATOM 700 C VAL I 865 -39.883 102.033 -7.476 1.00114.21 C +ATOM 701 O VAL I 865 -40.588 103.000 -7.212 1.00114.33 O +ATOM 702 CB VAL I 865 -39.263 100.906 -5.360 1.00113.92 C +ATOM 703 CG1 VAL I 865 -39.848 102.037 -4.536 1.00114.22 C +ATOM 704 CG2 VAL I 865 -39.332 99.604 -4.597 1.00114.57 C +ATOM 705 N ALA I 866 -38.976 102.048 -8.447 1.00115.17 N +ATOM 706 CA ALA I 866 -38.785 103.243 -9.264 1.00115.82 C +ATOM 707 C ALA I 866 -40.088 103.637 -9.956 1.00116.67 C +ATOM 708 O ALA I 866 -40.539 104.776 -9.829 1.00116.42 O +ATOM 709 CB ALA I 866 -37.704 103.008 -10.296 1.00116.10 C +ATOM 710 N GLU I 867 -40.695 102.690 -10.676 1.00117.68 N +ATOM 711 CA GLU I 867 -41.947 102.942 -11.387 1.00118.90 C +ATOM 712 C GLU I 867 -43.100 103.320 -10.446 1.00121.21 C +ATOM 713 O GLU I 867 -43.930 104.152 -10.798 1.00121.78 O +ATOM 714 CB GLU I 867 -42.310 101.728 -12.252 1.00116.64 C +ATOM 715 CG GLU I 867 -41.154 101.311 -13.167 1.00119.16 C +ATOM 716 CD GLU I 867 -41.490 100.187 -14.156 1.00120.73 C +ATOM 717 OE1 GLU I 867 -42.141 99.199 -13.752 1.00121.89 O +ATOM 718 OE2 GLU I 867 -41.078 100.280 -15.338 1.00119.40 O +ATOM 719 N GLU I 868 -43.152 102.731 -9.250 1.00124.52 N +ATOM 720 CA GLU I 868 -44.209 103.068 -8.288 1.00126.80 C +ATOM 721 C GLU I 868 -44.072 104.534 -7.878 1.00127.58 C +ATOM 722 O GLU I 868 -45.060 105.178 -7.520 1.00128.33 O +ATOM 723 CB GLU I 868 -44.135 102.202 -7.012 1.00128.34 C +ATOM 724 CG GLU I 868 -45.048 102.736 -5.867 1.00130.21 C +ATOM 725 CD GLU I 868 -44.592 102.339 -4.455 1.00130.90 C +ATOM 726 OE1 GLU I 868 -45.005 103.011 -3.475 1.00129.75 O +ATOM 727 OE2 GLU I 868 -43.828 101.359 -4.322 1.00130.90 O +ATOM 728 N VAL I 869 -42.844 105.050 -7.903 1.00127.81 N +ATOM 729 CA VAL I 869 -42.605 106.440 -7.541 1.00127.89 C +ATOM 730 C VAL I 869 -42.936 107.307 -8.748 1.00128.68 C +ATOM 731 O VAL I 869 -43.301 108.471 -8.600 1.00129.21 O +ATOM 732 CB VAL I 869 -41.145 106.680 -7.094 1.00127.33 C +ATOM 733 CG1 VAL I 869 -40.922 108.155 -6.814 1.00126.29 C +ATOM 734 CG2 VAL I 869 -40.851 105.877 -5.835 1.00125.77 C +ATOM 735 N ARG I 870 -42.811 106.738 -9.943 1.00129.29 N +ATOM 736 CA ARG I 870 -43.162 107.475 -11.153 1.00130.58 C +ATOM 737 C ARG I 870 -44.686 107.568 -11.154 1.00132.09 C +ATOM 738 O ARG I 870 -45.259 108.629 -11.395 1.00132.75 O +ATOM 739 CB ARG I 870 -42.719 106.732 -12.417 1.00129.13 C +ATOM 740 CG ARG I 870 -41.248 106.820 -12.761 1.00127.68 C +ATOM 741 CD ARG I 870 -41.019 106.178 -14.117 1.00127.30 C +ATOM 742 NE ARG I 870 -39.635 106.278 -14.569 1.00128.99 N +ATOM 743 CZ ARG I 870 -38.663 105.432 -14.238 1.00129.71 C +ATOM 744 NH1 ARG I 870 -38.910 104.401 -13.441 1.00130.09 N +ATOM 745 NH2 ARG I 870 -37.437 105.619 -14.710 1.00130.01 N +ATOM 746 N ALA I 871 -45.333 106.438 -10.876 1.00133.36 N +ATOM 747 CA ALA I 871 -46.788 106.368 -10.837 1.00134.46 C +ATOM 748 C ALA I 871 -47.362 107.359 -9.822 1.00135.29 C +ATOM 749 O ALA I 871 -48.266 108.122 -10.144 1.00135.70 O +ATOM 750 CB ALA I 871 -47.234 104.944 -10.502 1.00134.15 C +ATOM 751 N VAL I 872 -46.843 107.353 -8.598 1.00136.07 N +ATOM 752 CA VAL I 872 -47.336 108.275 -7.583 1.00137.31 C +ATOM 753 C VAL I 872 -47.024 109.702 -8.024 1.00139.45 C +ATOM 754 O VAL I 872 -47.784 110.629 -7.744 1.00139.62 O +ATOM 755 CB VAL I 872 -46.688 108.006 -6.204 1.00136.76 C +ATOM 756 CG1 VAL I 872 -45.212 108.379 -6.233 1.00137.30 C +ATOM 757 CG2 VAL I 872 -47.417 108.784 -5.123 1.00134.98 C +ATOM 758 N LEU I 873 -45.903 109.876 -8.719 1.00141.99 N +ATOM 759 CA LEU I 873 -45.505 111.193 -9.219 1.00145.04 C +ATOM 760 C LEU I 873 -46.469 111.626 -10.329 1.00147.09 C +ATOM 761 O LEU I 873 -46.192 112.552 -11.100 1.00146.94 O +ATOM 762 CB LEU I 873 -44.066 111.147 -9.754 1.00144.68 C +ATOM 763 CG LEU I 873 -42.913 111.599 -8.847 1.00144.08 C +ATOM 764 CD1 LEU I 873 -42.562 113.041 -9.161 1.00143.61 C +ATOM 765 CD2 LEU I 873 -43.284 111.421 -7.376 1.00143.43 C +ATOM 766 N GLU I 874 -47.600 110.929 -10.402 1.00149.13 N +ATOM 767 CA GLU I 874 -48.634 111.217 -11.381 1.00150.44 C +ATOM 768 C GLU I 874 -49.779 111.937 -10.671 1.00151.20 C +ATOM 769 O GLU I 874 -50.880 111.400 -10.517 1.00150.49 O +ATOM 770 CB GLU I 874 -49.142 109.920 -12.020 1.00150.79 C +ATOM 771 CG GLU I 874 -50.074 110.107 -13.208 1.00151.38 C +ATOM 772 CD GLU I 874 -49.406 110.821 -14.369 1.00152.02 C +ATOM 773 OE1 GLU I 874 -48.237 110.502 -14.676 1.00152.53 O +ATOM 774 OE2 GLU I 874 -50.052 111.694 -14.984 1.00152.56 O +ATOM 775 N LEU I 875 -49.482 113.146 -10.202 1.00152.28 N +ATOM 776 CA LEU I 875 -50.465 113.990 -9.542 1.00153.20 C +ATOM 777 C LEU I 875 -50.764 115.059 -10.592 1.00153.87 C +ATOM 778 O LEU I 875 -51.921 115.371 -10.882 1.00153.38 O +ATOM 779 CB LEU I 875 -49.885 114.627 -8.260 1.00153.21 C +ATOM 780 CG LEU I 875 -48.850 115.767 -8.291 1.00152.84 C +ATOM 781 CD1 LEU I 875 -48.553 116.223 -6.863 1.00151.17 C +ATOM 782 CD2 LEU I 875 -47.570 115.308 -8.979 1.00152.92 C +ATOM 783 N GLY I 876 -49.692 115.581 -11.182 1.00154.71 N +ATOM 784 CA GLY I 876 -49.808 116.598 -12.210 1.00155.36 C +ATOM 785 C GLY I 876 -48.605 117.520 -12.195 1.00155.65 C +ATOM 786 O GLY I 876 -48.802 118.753 -12.267 1.00156.04 O Added: SwiftApps/modFTdock/input/indata/2pe8-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2pe8-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2pe8-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,761 @@ +ATOM 1 N ALA A 298 1.746 -3.725 -20.405 1.00 65.12 N +ATOM 2 CA ALA A 298 2.449 -4.207 -19.177 1.00 64.95 C +ATOM 3 C ALA A 298 3.591 -3.256 -18.815 1.00 64.98 C +ATOM 4 O ALA A 298 4.380 -2.876 -19.687 1.00 64.97 O +ATOM 5 CB ALA A 298 2.981 -5.624 -19.390 1.00 65.17 C +ATOM 6 N MET A 299 3.674 -2.877 -17.535 1.00 64.54 N +ATOM 7 CA MET A 299 4.757 -2.003 -17.042 1.00 64.25 C +ATOM 8 C MET A 299 6.148 -2.508 -17.425 1.00 63.49 C +ATOM 9 O MET A 299 7.051 -1.712 -17.702 1.00 63.57 O +ATOM 10 CB MET A 299 4.692 -1.846 -15.511 1.00 64.43 C +ATOM 11 CG MET A 299 6.067 -1.701 -14.850 1.00 64.26 C +ATOM 12 SD MET A 299 6.088 -1.409 -13.104 1.00 67.02 S +ATOM 13 CE MET A 299 4.660 -2.333 -12.556 1.00 67.62 C +ATOM 14 N GLY A 300 6.325 -3.826 -17.404 1.00 62.63 N +ATOM 15 CA GLY A 300 7.617 -4.438 -17.688 1.00 61.77 C +ATOM 16 C GLY A 300 8.244 -4.137 -19.042 1.00 60.81 C +ATOM 17 O GLY A 300 9.463 -4.225 -19.188 1.00 60.33 O +ATOM 18 N LYS A 301 7.419 -3.797 -20.033 1.00 60.49 N +ATOM 19 CA LYS A 301 7.899 -3.548 -21.402 1.00 60.34 C +ATOM 20 C LYS A 301 8.388 -2.116 -21.650 1.00 59.93 C +ATOM 21 O LYS A 301 9.092 -1.872 -22.619 1.00 59.68 O +ATOM 22 CB LYS A 301 6.806 -3.859 -22.430 1.00 60.17 C +ATOM 23 CG LYS A 301 6.050 -5.160 -22.233 1.00 60.37 C +ATOM 24 CD LYS A 301 6.969 -6.354 -22.105 1.00 60.15 C +ATOM 25 CE LYS A 301 6.171 -7.646 -22.236 1.00 60.28 C +ATOM 26 NZ LYS A 301 7.029 -8.823 -21.958 1.00 61.32 N +ATOM 27 N CYS A 302 7.995 -1.172 -20.796 1.00 60.02 N +ATOM 28 CA CYS A 302 8.290 0.252 -21.013 1.00 59.66 C +ATOM 29 C CYS A 302 9.693 0.605 -20.522 1.00 58.52 C +ATOM 30 O CYS A 302 9.945 0.538 -19.334 1.00 58.02 O +ATOM 31 CB CYS A 302 7.278 1.120 -20.270 1.00 59.92 C +ATOM 32 SG CYS A 302 5.583 0.813 -20.753 1.00 64.99 S +ATOM 33 N PRO A 303 10.591 1.032 -21.427 1.00 58.16 N +ATOM 34 CA PRO A 303 11.971 1.330 -21.042 1.00 57.86 C +ATOM 35 C PRO A 303 12.107 2.449 -20.007 1.00 57.49 C +ATOM 36 O PRO A 303 11.575 3.548 -20.194 1.00 56.69 O +ATOM 37 CB PRO A 303 12.624 1.744 -22.364 1.00 57.64 C +ATOM 38 CG PRO A 303 11.768 1.166 -23.406 1.00 58.10 C +ATOM 39 CD PRO A 303 10.386 1.263 -22.865 1.00 58.17 C +ATOM 40 N THR A 304 12.810 2.141 -18.921 1.00 56.96 N +ATOM 41 CA THR A 304 13.157 3.094 -17.873 1.00 57.03 C +ATOM 42 C THR A 304 14.570 2.775 -17.385 1.00 57.02 C +ATOM 43 O THR A 304 15.160 1.768 -17.787 1.00 56.94 O +ATOM 44 CB THR A 304 12.198 2.998 -16.658 1.00 56.80 C +ATOM 45 OG1 THR A 304 12.383 1.739 -15.997 1.00 57.08 O +ATOM 46 CG2 THR A 304 10.733 3.152 -17.082 1.00 55.85 C +ATOM 47 N LYS A 305 15.092 3.630 -16.507 1.00 57.24 N +ATOM 48 CA LYS A 305 16.390 3.423 -15.846 1.00 57.36 C +ATOM 49 C LYS A 305 16.404 2.262 -14.823 1.00 57.11 C +ATOM 50 O LYS A 305 17.469 1.898 -14.323 1.00 56.89 O +ATOM 51 CB LYS A 305 16.813 4.714 -15.126 1.00 57.73 C +ATOM 52 CG LYS A 305 17.160 5.901 -16.047 1.00 58.75 C +ATOM 53 CD LYS A 305 16.812 7.273 -15.439 1.00 59.06 C +ATOM 54 CE LYS A 305 17.514 7.532 -14.112 1.00 60.37 C +ATOM 55 NZ LYS A 305 17.442 8.962 -13.663 1.00 60.61 N +ATOM 56 N VAL A 306 15.232 1.727 -14.472 1.00 56.40 N +ATOM 57 CA VAL A 306 15.120 0.697 -13.433 1.00 55.99 C +ATOM 58 C VAL A 306 14.851 -0.677 -14.055 1.00 55.56 C +ATOM 59 O VAL A 306 13.898 -0.863 -14.797 1.00 55.38 O +ATOM 60 CB VAL A 306 14.012 1.037 -12.395 1.00 55.87 C +ATOM 61 CG1 VAL A 306 14.022 0.036 -11.231 1.00 55.35 C +ATOM 62 CG2 VAL A 306 14.200 2.435 -11.860 1.00 55.40 C +ATOM 63 N VAL A 307 15.715 -1.633 -13.743 1.00 55.56 N +ATOM 64 CA VAL A 307 15.590 -2.986 -14.222 1.00 55.25 C +ATOM 65 C VAL A 307 15.130 -3.865 -13.063 1.00 54.82 C +ATOM 66 O VAL A 307 15.625 -3.719 -11.963 1.00 54.63 O +ATOM 67 CB VAL A 307 16.926 -3.472 -14.792 1.00 55.46 C +ATOM 68 CG1 VAL A 307 16.866 -4.956 -15.192 1.00 54.65 C +ATOM 69 CG2 VAL A 307 17.304 -2.604 -15.989 1.00 56.60 C +ATOM 70 N LEU A 308 14.154 -4.735 -13.324 1.00 54.75 N +ATOM 71 CA LEU A 308 13.740 -5.784 -12.391 1.00 54.27 C +ATOM 72 C LEU A 308 14.215 -7.162 -12.885 1.00 54.47 C +ATOM 73 O LEU A 308 13.945 -7.577 -14.018 1.00 54.52 O +ATOM 74 CB LEU A 308 12.224 -5.786 -12.190 1.00 54.09 C +ATOM 75 CG LEU A 308 11.625 -6.975 -11.431 1.00 54.18 C +ATOM 76 CD1 LEU A 308 12.215 -7.098 -9.988 1.00 49.66 C +ATOM 77 CD2 LEU A 308 10.102 -6.895 -11.419 1.00 53.57 C +ATOM 78 N LEU A 309 14.926 -7.859 -12.009 1.00 54.21 N +ATOM 79 CA LEU A 309 15.388 -9.201 -12.266 1.00 54.29 C +ATOM 80 C LEU A 309 14.587 -10.154 -11.382 1.00 54.23 C +ATOM 81 O LEU A 309 14.550 -10.002 -10.155 1.00 53.22 O +ATOM 82 CB LEU A 309 16.881 -9.307 -12.000 1.00 54.69 C +ATOM 83 CG LEU A 309 17.831 -8.383 -12.789 1.00 55.65 C +ATOM 84 CD1 LEU A 309 19.257 -8.724 -12.374 1.00 54.27 C +ATOM 85 CD2 LEU A 309 17.667 -8.509 -14.320 1.00 54.03 C +ATOM 86 N ARG A 310 13.896 -11.097 -12.024 1.00 54.52 N +ATOM 87 CA ARG A 310 13.154 -12.148 -11.325 1.00 54.73 C +ATOM 88 C ARG A 310 13.818 -13.516 -11.582 1.00 54.77 C +ATOM 89 O ARG A 310 14.543 -13.689 -12.565 1.00 53.01 O +ATOM 90 CB ARG A 310 11.703 -12.147 -11.762 1.00 54.96 C +ATOM 91 CG ARG A 310 10.920 -10.946 -11.200 1.00 55.07 C +ATOM 92 CD ARG A 310 9.535 -10.854 -11.784 1.00 56.58 C +ATOM 93 NE ARG A 310 9.597 -10.558 -13.211 1.00 58.33 N +ATOM 94 CZ ARG A 310 8.712 -10.985 -14.111 1.00 57.57 C +ATOM 95 NH1 ARG A 310 7.682 -11.732 -13.748 1.00 57.53 N +ATOM 96 NH2 ARG A 310 8.879 -10.680 -15.398 1.00 58.19 N +ATOM 97 N ASN A 311 13.564 -14.444 -10.663 1.00 54.91 N +ATOM 98 CA ASN A 311 14.019 -15.825 -10.725 1.00 56.50 C +ATOM 99 C ASN A 311 15.539 -15.963 -10.789 1.00 57.47 C +ATOM 100 O ASN A 311 16.067 -16.917 -11.362 1.00 57.25 O +ATOM 101 CB ASN A 311 13.350 -16.555 -11.892 1.00 55.54 C +ATOM 102 CG ASN A 311 13.557 -18.049 -11.842 1.00 54.78 C +ATOM 103 OD1 ASN A 311 13.804 -18.688 -12.869 1.00 52.38 O +ATOM 104 ND2 ASN A 311 13.480 -18.615 -10.646 1.00 48.64 N +ATOM 105 N MET A 312 16.239 -15.021 -10.173 1.00 59.23 N +ATOM 106 CA MET A 312 17.685 -15.077 -10.137 1.00 61.24 C +ATOM 107 C MET A 312 18.168 -15.906 -8.951 1.00 61.47 C +ATOM 108 O MET A 312 19.180 -16.613 -9.044 1.00 61.37 O +ATOM 109 CB MET A 312 18.271 -13.669 -10.117 1.00 61.93 C +ATOM 110 CG MET A 312 19.547 -13.592 -10.937 1.00 63.71 C +ATOM 111 SD MET A 312 20.428 -12.063 -10.687 1.00 66.55 S +ATOM 112 CE MET A 312 20.917 -11.731 -12.376 1.00 66.36 C +ATOM 113 N VAL A 313 17.432 -15.821 -7.844 1.00 62.13 N +ATOM 114 CA VAL A 313 17.671 -16.648 -6.668 1.00 62.60 C +ATOM 115 C VAL A 313 16.336 -16.882 -5.975 1.00 63.15 C +ATOM 116 O VAL A 313 15.393 -16.123 -6.198 1.00 62.65 O +ATOM 117 CB VAL A 313 18.636 -15.958 -5.733 1.00 62.89 C +ATOM 118 N GLY A 314 16.256 -17.940 -5.170 1.00 63.34 N +ATOM 119 CA GLY A 314 15.071 -18.224 -4.340 1.00 64.13 C +ATOM 120 C GLY A 314 15.202 -17.575 -2.968 1.00 64.53 C +ATOM 121 O GLY A 314 16.145 -16.836 -2.730 1.00 64.75 O +ATOM 122 N ALA A 315 14.266 -17.841 -2.064 1.00 65.40 N +ATOM 123 CA ALA A 315 14.301 -17.253 -0.707 1.00 65.95 C +ATOM 124 C ALA A 315 15.111 -18.092 0.303 1.00 66.90 C +ATOM 125 O ALA A 315 14.535 -19.012 0.878 1.00 67.41 O +ATOM 126 CB ALA A 315 12.877 -17.094 -0.195 1.00 65.94 C +ATOM 127 N GLY A 316 16.397 -17.812 0.582 1.00 67.94 N +ATOM 128 CA GLY A 316 17.213 -16.707 0.042 1.00 68.68 C +ATOM 129 C GLY A 316 18.320 -17.186 -0.912 1.00 69.44 C +ATOM 130 O GLY A 316 18.159 -18.233 -1.555 1.00 69.67 O +ATOM 131 N GLU A 317 19.488 -16.527 -0.948 1.00 69.98 N +ATOM 132 CA GLU A 317 20.123 -15.901 0.229 1.00 70.38 C +ATOM 133 C GLU A 317 20.230 -14.367 0.263 1.00 70.42 C +ATOM 134 O GLU A 317 19.512 -13.652 -0.438 1.00 70.17 O +ATOM 135 CB GLU A 317 21.525 -16.520 0.417 1.00 70.56 C +ATOM 136 N VAL A 318 21.116 -13.897 1.150 1.00 70.56 N +ATOM 137 CA VAL A 318 21.517 -12.494 1.259 1.00 70.55 C +ATOM 138 C VAL A 318 22.932 -12.284 0.701 1.00 70.54 C +ATOM 139 O VAL A 318 23.942 -12.248 1.485 1.00 70.40 O +ATOM 140 CB VAL A 318 21.457 -12.049 2.724 1.00 70.51 C +ATOM 141 N LEU A 322 24.728 -10.199 -1.685 1.00 62.40 N +ATOM 142 CA LEU A 322 24.029 -10.283 -2.972 1.00 62.60 C +ATOM 143 C LEU A 322 23.792 -8.896 -3.590 1.00 62.63 C +ATOM 144 O LEU A 322 23.986 -8.713 -4.790 1.00 62.73 O +ATOM 145 CB LEU A 322 22.691 -11.028 -2.825 1.00 62.41 C +ATOM 146 CG LEU A 322 22.219 -11.927 -3.984 1.00 62.37 C +ATOM 147 CD1 LEU A 322 20.705 -11.835 -4.185 1.00 61.57 C +ATOM 148 CD2 LEU A 322 22.916 -11.617 -5.296 1.00 62.00 C +ATOM 149 N GLU A 323 23.371 -7.933 -2.767 1.00 62.83 N +ATOM 150 CA GLU A 323 23.101 -6.558 -3.223 1.00 62.90 C +ATOM 151 C GLU A 323 24.370 -5.925 -3.800 1.00 62.91 C +ATOM 152 O GLU A 323 24.327 -5.285 -4.843 1.00 62.78 O +ATOM 153 CB GLU A 323 22.546 -5.696 -2.068 1.00 62.95 C +ATOM 154 CG GLU A 323 21.730 -4.468 -2.503 1.00 62.90 C +ATOM 155 CD GLU A 323 21.265 -3.589 -1.327 1.00 63.35 C +ATOM 156 OE1 GLU A 323 20.055 -3.592 -0.989 1.00 63.44 O +ATOM 157 OE2 GLU A 323 22.109 -2.878 -0.746 1.00 64.17 O +ATOM 158 N VAL A 324 25.496 -6.120 -3.113 1.00 63.04 N +ATOM 159 CA VAL A 324 26.803 -5.643 -3.578 1.00 63.05 C +ATOM 160 C VAL A 324 27.316 -6.469 -4.766 1.00 63.05 C +ATOM 161 O VAL A 324 27.961 -5.936 -5.673 1.00 63.03 O +ATOM 162 CB VAL A 324 27.818 -5.676 -2.427 1.00 62.85 C +ATOM 163 N GLU A 325 27.013 -7.765 -4.750 1.00 63.09 N +ATOM 164 CA GLU A 325 27.517 -8.714 -5.746 1.00 63.14 C +ATOM 165 C GLU A 325 26.810 -8.592 -7.088 1.00 63.00 C +ATOM 166 O GLU A 325 27.463 -8.627 -8.132 1.00 63.06 O +ATOM 167 CB GLU A 325 27.387 -10.146 -5.216 1.00 63.30 C +ATOM 168 CG GLU A 325 28.214 -10.411 -3.954 1.00 63.54 C +ATOM 169 CD GLU A 325 27.575 -11.423 -3.005 1.00 63.80 C +ATOM 170 OE1 GLU A 325 26.609 -12.109 -3.409 1.00 65.23 O +ATOM 171 OE2 GLU A 325 28.044 -11.529 -1.848 1.00 63.09 O +ATOM 172 N THR A 326 25.480 -8.464 -7.061 1.00 62.86 N +ATOM 173 CA THR A 326 24.686 -8.239 -8.275 1.00 62.72 C +ATOM 174 C THR A 326 24.973 -6.856 -8.863 1.00 62.41 C +ATOM 175 O THR A 326 25.147 -6.713 -10.068 1.00 62.14 O +ATOM 176 CB THR A 326 23.171 -8.375 -7.997 1.00 62.82 C +ATOM 177 OG1 THR A 326 22.899 -9.698 -7.519 1.00 63.67 O +ATOM 178 CG2 THR A 326 22.365 -8.120 -9.255 1.00 62.36 C +ATOM 179 N LYS A 327 25.027 -5.849 -7.998 1.00 62.10 N +ATOM 180 CA LYS A 327 25.410 -4.496 -8.398 1.00 62.06 C +ATOM 181 C LYS A 327 26.772 -4.486 -9.103 1.00 61.70 C +ATOM 182 O LYS A 327 26.921 -3.859 -10.149 1.00 61.25 O +ATOM 183 CB LYS A 327 25.424 -3.572 -7.173 1.00 61.96 C +ATOM 184 CG LYS A 327 25.682 -2.106 -7.468 1.00 62.13 C +ATOM 185 CD LYS A 327 25.431 -1.249 -6.229 1.00 62.34 C +ATOM 186 CE LYS A 327 26.420 -0.087 -6.109 1.00 62.50 C +ATOM 187 NZ LYS A 327 26.322 0.874 -7.246 1.00 62.88 N +ATOM 188 N GLU A 328 27.753 -5.192 -8.534 1.00 61.72 N +ATOM 189 CA GLU A 328 29.094 -5.293 -9.131 1.00 61.49 C +ATOM 190 C GLU A 328 29.062 -5.993 -10.496 1.00 61.25 C +ATOM 191 O GLU A 328 29.787 -5.600 -11.415 1.00 61.04 O +ATOM 192 CB GLU A 328 30.063 -6.016 -8.180 1.00 61.43 C +ATOM 193 N GLU A 329 28.229 -7.027 -10.617 1.00 61.04 N +ATOM 194 CA GLU A 329 28.081 -7.779 -11.868 1.00 61.25 C +ATOM 195 C GLU A 329 27.436 -6.939 -12.969 1.00 61.34 C +ATOM 196 O GLU A 329 27.784 -7.074 -14.138 1.00 61.57 O +ATOM 197 CB GLU A 329 27.256 -9.053 -11.636 1.00 60.81 C +ATOM 198 N CYS A 330 26.489 -6.082 -12.586 1.00 61.53 N +ATOM 199 CA CYS A 330 25.744 -5.251 -13.535 1.00 61.35 C +ATOM 200 C CYS A 330 26.441 -3.929 -13.874 1.00 61.15 C +ATOM 201 O CYS A 330 25.868 -3.097 -14.576 1.00 60.90 O +ATOM 202 CB CYS A 330 24.333 -4.977 -12.997 1.00 61.62 C +ATOM 203 SG CYS A 330 23.257 -6.433 -12.995 1.00 63.62 S +ATOM 204 N GLU A 331 27.672 -3.738 -13.392 1.00 60.90 N +ATOM 205 CA GLU A 331 28.477 -2.569 -13.772 1.00 60.82 C +ATOM 206 C GLU A 331 28.954 -2.638 -15.226 1.00 60.50 C +ATOM 207 O GLU A 331 29.284 -1.610 -15.814 1.00 60.23 O +ATOM 208 CB GLU A 331 29.704 -2.406 -12.857 1.00 60.97 C +ATOM 209 CG GLU A 331 29.409 -2.252 -11.362 1.00 61.68 C +ATOM 210 CD GLU A 331 28.748 -0.924 -10.993 1.00 62.41 C +ATOM 211 OE1 GLU A 331 27.986 -0.372 -11.814 1.00 62.70 O +ATOM 212 OE2 GLU A 331 28.992 -0.435 -9.867 1.00 62.11 O +ATOM 213 N LYS A 332 28.997 -3.843 -15.797 1.00 60.31 N +ATOM 214 CA LYS A 332 29.353 -4.015 -17.211 1.00 60.11 C +ATOM 215 C LYS A 332 28.395 -3.295 -18.179 1.00 59.51 C +ATOM 216 O LYS A 332 28.774 -2.984 -19.312 1.00 59.57 O +ATOM 217 CB LYS A 332 29.448 -5.504 -17.579 1.00 60.23 C +ATOM 218 CG LYS A 332 28.165 -6.311 -17.401 1.00 60.79 C +ATOM 219 CD LYS A 332 28.187 -7.601 -18.227 1.00 61.31 C +ATOM 220 CE LYS A 332 27.533 -8.758 -17.470 1.00 62.22 C +ATOM 221 NZ LYS A 332 28.484 -9.288 -16.435 1.00 63.30 N +ATOM 222 N TYR A 333 27.166 -3.036 -17.736 1.00 58.97 N +ATOM 223 CA TYR A 333 26.158 -2.362 -18.567 1.00 58.64 C +ATOM 224 C TYR A 333 26.227 -0.833 -18.426 1.00 58.51 C +ATOM 225 O TYR A 333 25.792 -0.098 -19.313 1.00 58.43 O +ATOM 226 CB TYR A 333 24.757 -2.889 -18.249 1.00 58.40 C +ATOM 227 CG TYR A 333 24.663 -4.396 -18.313 1.00 57.76 C +ATOM 228 CD1 TYR A 333 24.928 -5.079 -19.497 1.00 57.02 C +ATOM 229 CD2 TYR A 333 24.332 -5.139 -17.186 1.00 57.69 C +ATOM 230 CE1 TYR A 333 24.880 -6.457 -19.557 1.00 57.02 C +ATOM 231 CE2 TYR A 333 24.252 -6.520 -17.237 1.00 58.19 C +ATOM 232 CZ TYR A 333 24.525 -7.173 -18.426 1.00 58.34 C +ATOM 233 OH TYR A 333 24.445 -8.539 -18.475 1.00 58.52 O +ATOM 234 N GLY A 334 26.809 -0.365 -17.325 1.00 58.29 N +ATOM 235 CA GLY A 334 26.991 1.062 -17.071 1.00 58.10 C +ATOM 236 C GLY A 334 26.843 1.337 -15.592 1.00 57.88 C +ATOM 237 O GLY A 334 26.562 0.414 -14.819 1.00 57.81 O +ATOM 238 N LYS A 335 27.013 2.600 -15.200 1.00 57.61 N +ATOM 239 CA LYS A 335 26.910 3.000 -13.792 1.00 57.62 C +ATOM 240 C LYS A 335 25.544 2.650 -13.179 1.00 57.51 C +ATOM 241 O LYS A 335 24.493 2.969 -13.741 1.00 57.27 O +ATOM 242 CB LYS A 335 27.212 4.507 -13.629 1.00 57.53 C +ATOM 243 N VAL A 336 25.585 1.972 -12.034 1.00 57.66 N +ATOM 244 CA VAL A 336 24.394 1.594 -11.274 1.00 57.86 C +ATOM 245 C VAL A 336 24.202 2.561 -10.099 1.00 58.08 C +ATOM 246 O VAL A 336 25.022 2.604 -9.176 1.00 58.12 O +ATOM 247 CB VAL A 336 24.523 0.150 -10.735 1.00 57.78 C +ATOM 248 CG1 VAL A 336 23.345 -0.217 -9.845 1.00 57.71 C +ATOM 249 CG2 VAL A 336 24.660 -0.832 -11.884 1.00 57.85 C +ATOM 250 N GLY A 337 23.124 3.340 -10.147 1.00 58.35 N +ATOM 251 CA GLY A 337 22.764 4.241 -9.060 1.00 58.49 C +ATOM 252 C GLY A 337 22.581 3.501 -7.752 1.00 58.63 C +ATOM 253 O GLY A 337 23.214 3.836 -6.765 1.00 59.06 O +ATOM 254 N LYS A 338 21.723 2.488 -7.746 1.00 58.92 N +ATOM 255 CA LYS A 338 21.504 1.676 -6.550 1.00 58.92 C +ATOM 256 C LYS A 338 20.937 0.304 -6.892 1.00 59.00 C +ATOM 257 O LYS A 338 20.514 0.061 -8.029 1.00 58.77 O +ATOM 258 CB LYS A 338 20.567 2.396 -5.580 1.00 59.04 C +ATOM 259 CG LYS A 338 19.199 2.738 -6.149 1.00 59.36 C +ATOM 260 CD LYS A 338 18.422 3.683 -5.242 1.00 59.45 C +ATOM 261 CE LYS A 338 17.953 3.011 -3.963 1.00 59.82 C +ATOM 262 NZ LYS A 338 17.169 3.944 -3.119 1.00 59.66 N +ATOM 263 N CYS A 339 20.944 -0.591 -5.904 1.00 59.04 N +ATOM 264 CA CYS A 339 20.378 -1.938 -6.063 1.00 58.99 C +ATOM 265 C CYS A 339 19.549 -2.301 -4.836 1.00 58.80 C +ATOM 266 O CYS A 339 20.013 -2.132 -3.717 1.00 58.68 O +ATOM 267 CB CYS A 339 21.489 -2.972 -6.265 1.00 59.18 C +ATOM 268 SG CYS A 339 20.921 -4.694 -6.303 1.00 59.87 S +ATOM 269 N VAL A 340 18.325 -2.784 -5.053 1.00 58.46 N +ATOM 270 CA VAL A 340 17.419 -3.161 -3.959 1.00 58.17 C +ATOM 271 C VAL A 340 16.966 -4.598 -4.153 1.00 57.84 C +ATOM 272 O VAL A 340 16.469 -4.958 -5.223 1.00 57.57 O +ATOM 273 CB VAL A 340 16.159 -2.261 -3.901 1.00 58.09 C +ATOM 274 CG1 VAL A 340 15.276 -2.647 -2.714 1.00 58.11 C +ATOM 275 CG2 VAL A 340 16.548 -0.799 -3.809 1.00 59.12 C +ATOM 276 N ILE A 341 17.158 -5.422 -3.131 1.00 57.75 N +ATOM 277 CA ILE A 341 16.651 -6.789 -3.144 1.00 58.08 C +ATOM 278 C ILE A 341 15.390 -6.783 -2.312 1.00 57.81 C +ATOM 279 O ILE A 341 15.424 -6.416 -1.135 1.00 57.27 O +ATOM 280 CB ILE A 341 17.640 -7.825 -2.547 1.00 58.12 C +ATOM 281 CG1 ILE A 341 18.755 -8.182 -3.533 1.00 58.89 C +ATOM 282 CG2 ILE A 341 16.907 -9.106 -2.216 1.00 58.01 C +ATOM 283 CD1 ILE A 341 19.578 -7.012 -4.022 1.00 59.66 C +ATOM 284 N PHE A 342 14.287 -7.193 -2.922 1.00 57.87 N +ATOM 285 CA PHE A 342 13.002 -7.213 -2.254 1.00 58.53 C +ATOM 286 C PHE A 342 12.404 -8.612 -2.282 1.00 58.63 C +ATOM 287 O PHE A 342 12.230 -9.205 -3.337 1.00 57.90 O +ATOM 288 CB PHE A 342 12.041 -6.220 -2.914 1.00 58.28 C +ATOM 289 CG PHE A 342 10.691 -6.199 -2.281 1.00 58.28 C +ATOM 290 CD1 PHE A 342 10.523 -5.670 -1.016 1.00 58.57 C +ATOM 291 CD2 PHE A 342 9.592 -6.734 -2.931 1.00 59.03 C +ATOM 292 CE1 PHE A 342 9.287 -5.665 -0.415 1.00 58.35 C +ATOM 293 CE2 PHE A 342 8.341 -6.725 -2.328 1.00 57.48 C +ATOM 294 CZ PHE A 342 8.196 -6.193 -1.074 1.00 58.33 C +ATOM 295 N GLU A 343 12.074 -9.133 -1.110 1.00 59.57 N +ATOM 296 CA GLU A 343 11.531 -10.477 -1.010 1.00 60.30 C +ATOM 297 C GLU A 343 10.034 -10.443 -0.702 1.00 60.77 C +ATOM 298 O GLU A 343 9.602 -9.832 0.283 1.00 60.48 O +ATOM 299 CB GLU A 343 12.279 -11.272 0.057 1.00 60.47 C +ATOM 300 CG GLU A 343 12.010 -12.760 -0.001 1.00 60.64 C +ATOM 301 CD GLU A 343 12.876 -13.527 0.956 1.00 61.04 C +ATOM 302 OE1 GLU A 343 13.634 -14.395 0.496 1.00 62.51 O +ATOM 303 OE2 GLU A 343 12.813 -13.248 2.171 1.00 63.11 O +ATOM 304 N ILE A 344 9.262 -11.112 -1.558 1.00 61.40 N +ATOM 305 CA ILE A 344 7.813 -11.249 -1.408 1.00 61.81 C +ATOM 306 C ILE A 344 7.526 -12.506 -0.556 1.00 62.14 C +ATOM 307 O ILE A 344 7.741 -13.630 -1.021 1.00 62.10 O +ATOM 308 CB ILE A 344 7.143 -11.366 -2.804 1.00 61.88 C +ATOM 309 CG1 ILE A 344 7.495 -10.141 -3.662 1.00 62.41 C +ATOM 310 CG2 ILE A 344 5.643 -11.527 -2.672 1.00 61.65 C +ATOM 311 CD1 ILE A 344 6.801 -10.089 -5.030 1.00 62.21 C +ATOM 312 N PRO A 345 7.057 -12.328 0.701 1.00 62.63 N +ATOM 313 CA PRO A 345 6.940 -13.495 1.595 1.00 62.79 C +ATOM 314 C PRO A 345 5.843 -14.530 1.268 1.00 63.06 C +ATOM 315 O PRO A 345 5.689 -15.483 2.030 1.00 63.35 O +ATOM 316 CB PRO A 345 6.678 -12.862 2.974 1.00 62.96 C +ATOM 317 CG PRO A 345 6.938 -11.391 2.806 1.00 62.99 C +ATOM 318 CD PRO A 345 6.641 -11.090 1.381 1.00 62.60 C +ATOM 319 N GLY A 346 5.098 -14.348 0.171 1.00 63.26 N +ATOM 320 CA GLY A 346 4.133 -15.352 -0.327 1.00 63.27 C +ATOM 321 C GLY A 346 4.614 -16.804 -0.292 1.00 63.35 C +ATOM 322 O GLY A 346 4.539 -17.434 0.758 1.00 63.61 O +ATOM 323 N ALA A 347 5.103 -17.377 -1.395 1.00 63.55 N +ATOM 324 CA ALA A 347 5.263 -16.747 -2.724 1.00 63.50 C +ATOM 325 C ALA A 347 5.934 -17.787 -3.639 1.00 63.37 C +ATOM 326 O ALA A 347 6.790 -18.541 -3.170 1.00 63.45 O +ATOM 327 CB ALA A 347 6.122 -15.489 -2.649 1.00 63.61 C +ATOM 328 N PRO A 348 5.552 -17.848 -4.933 1.00 63.16 N +ATOM 329 CA PRO A 348 6.204 -18.835 -5.807 1.00 63.18 C +ATOM 330 C PRO A 348 7.722 -18.661 -5.797 1.00 63.00 C +ATOM 331 O PRO A 348 8.202 -17.526 -5.764 1.00 62.67 O +ATOM 332 CB PRO A 348 5.637 -18.512 -7.198 1.00 63.39 C +ATOM 333 CG PRO A 348 4.348 -17.807 -6.936 1.00 63.19 C +ATOM 334 CD PRO A 348 4.550 -17.045 -5.659 1.00 63.28 C +ATOM 335 N ASP A 349 8.463 -19.767 -5.829 1.00 62.85 N +ATOM 336 CA ASP A 349 9.925 -19.716 -5.677 1.00 62.77 C +ATOM 337 C ASP A 349 10.641 -18.913 -6.769 1.00 62.36 C +ATOM 338 O ASP A 349 11.703 -18.350 -6.512 1.00 62.65 O +ATOM 339 CB ASP A 349 10.529 -21.124 -5.598 1.00 62.89 C +ATOM 340 CG ASP A 349 11.942 -21.121 -5.033 1.00 63.22 C +ATOM 341 OD1 ASP A 349 12.100 -21.002 -3.802 1.00 64.81 O +ATOM 342 OD2 ASP A 349 12.899 -21.243 -5.820 1.00 64.70 O +ATOM 343 N ASP A 350 10.070 -18.858 -7.971 1.00 61.89 N +ATOM 344 CA ASP A 350 10.655 -18.071 -9.061 1.00 61.96 C +ATOM 345 C ASP A 350 10.147 -16.622 -9.113 1.00 62.03 C +ATOM 346 O ASP A 350 10.443 -15.887 -10.060 1.00 62.27 O +ATOM 347 CB ASP A 350 10.452 -18.754 -10.422 1.00 62.01 C +ATOM 348 CG ASP A 350 9.009 -19.065 -10.724 1.00 62.64 C +ATOM 349 OD1 ASP A 350 8.230 -19.257 -9.774 1.00 63.20 O +ATOM 350 OD2 ASP A 350 8.665 -19.144 -11.923 1.00 64.87 O +ATOM 351 N GLU A 351 9.377 -16.225 -8.105 1.00 61.54 N +ATOM 352 CA GLU A 351 8.921 -14.846 -7.974 1.00 61.38 C +ATOM 353 C GLU A 351 9.155 -14.257 -6.581 1.00 60.41 C +ATOM 354 O GLU A 351 8.982 -13.053 -6.374 1.00 60.68 O +ATOM 355 CB GLU A 351 7.458 -14.774 -8.401 1.00 61.56 C +ATOM 356 CG GLU A 351 7.327 -14.722 -9.931 1.00 63.23 C +ATOM 357 CD GLU A 351 5.999 -15.226 -10.461 1.00 63.27 C +ATOM 358 OE1 GLU A 351 5.350 -16.079 -9.802 1.00 66.37 O +ATOM 359 OE2 GLU A 351 5.613 -14.758 -11.561 1.00 66.64 O +ATOM 360 N ALA A 352 9.616 -15.089 -5.651 1.00 59.34 N +ATOM 361 CA ALA A 352 9.872 -14.666 -4.276 1.00 58.59 C +ATOM 362 C ALA A 352 10.865 -13.508 -4.199 1.00 57.82 C +ATOM 363 O ALA A 352 10.593 -12.515 -3.517 1.00 58.43 O +ATOM 364 CB ALA A 352 10.356 -15.850 -3.425 1.00 58.66 C +ATOM 365 N VAL A 353 11.978 -13.599 -4.924 1.00 56.07 N +ATOM 366 CA VAL A 353 13.025 -12.580 -4.837 1.00 55.21 C +ATOM 367 C VAL A 353 13.088 -11.671 -6.077 1.00 54.41 C +ATOM 368 O VAL A 353 13.395 -12.112 -7.194 1.00 54.31 O +ATOM 369 CB VAL A 353 14.410 -13.216 -4.534 1.00 55.28 C +ATOM 370 CG1 VAL A 353 15.483 -12.142 -4.470 1.00 54.96 C +ATOM 371 CG2 VAL A 353 14.349 -13.991 -3.207 1.00 54.67 C +ATOM 372 N ARG A 354 12.800 -10.390 -5.846 1.00 53.16 N +ATOM 373 CA ARG A 354 12.908 -9.352 -6.847 1.00 53.19 C +ATOM 374 C ARG A 354 14.172 -8.552 -6.596 1.00 52.56 C +ATOM 375 O ARG A 354 14.414 -8.074 -5.477 1.00 52.66 O +ATOM 376 CB ARG A 354 11.694 -8.417 -6.805 1.00 52.65 C +ATOM 377 CG ARG A 354 10.449 -9.043 -7.356 1.00 53.18 C +ATOM 378 CD ARG A 354 9.255 -8.089 -7.351 1.00 54.35 C +ATOM 379 NE ARG A 354 8.253 -8.587 -8.280 1.00 55.15 N +ATOM 380 CZ ARG A 354 7.280 -7.871 -8.828 1.00 55.74 C +ATOM 381 NH1 ARG A 354 7.120 -6.587 -8.523 1.00 55.13 N +ATOM 382 NH2 ARG A 354 6.454 -8.464 -9.685 1.00 57.22 N +ATOM 383 N ILE A 355 14.969 -8.408 -7.642 1.00 51.87 N +ATOM 384 CA ILE A 355 16.182 -7.624 -7.583 1.00 52.27 C +ATOM 385 C ILE A 355 16.007 -6.440 -8.510 1.00 52.04 C +ATOM 386 O ILE A 355 15.755 -6.613 -9.703 1.00 51.25 O +ATOM 387 CB ILE A 355 17.422 -8.446 -7.998 1.00 52.02 C +ATOM 388 CG1 ILE A 355 17.527 -9.704 -7.135 1.00 52.71 C +ATOM 389 CG2 ILE A 355 18.682 -7.582 -7.904 1.00 52.37 C +ATOM 390 CD1 ILE A 355 18.698 -10.621 -7.465 1.00 52.08 C +ATOM 391 N PHE A 356 16.124 -5.242 -7.941 1.00 52.41 N +ATOM 392 CA PHE A 356 16.016 -4.009 -8.692 1.00 52.99 C +ATOM 393 C PHE A 356 17.370 -3.337 -8.833 1.00 53.43 C +ATOM 394 O PHE A 356 18.108 -3.211 -7.858 1.00 53.63 O +ATOM 395 CB PHE A 356 15.085 -3.029 -7.988 1.00 52.35 C +ATOM 396 CG PHE A 356 13.683 -3.513 -7.845 1.00 51.98 C +ATOM 397 CD1 PHE A 356 12.712 -3.165 -8.780 1.00 51.79 C +ATOM 398 CD2 PHE A 356 13.314 -4.293 -6.767 1.00 51.73 C +ATOM 399 CE1 PHE A 356 11.420 -3.602 -8.641 1.00 52.17 C +ATOM 400 CE2 PHE A 356 12.010 -4.721 -6.627 1.00 51.74 C +ATOM 401 CZ PHE A 356 11.071 -4.383 -7.575 1.00 51.51 C +ATOM 402 N LEU A 357 17.676 -2.894 -10.046 1.00 53.92 N +ATOM 403 CA LEU A 357 18.854 -2.081 -10.302 1.00 54.61 C +ATOM 404 C LEU A 357 18.449 -0.770 -10.958 1.00 54.88 C +ATOM 405 O LEU A 357 17.860 -0.779 -12.035 1.00 55.21 O +ATOM 406 CB LEU A 357 19.808 -2.848 -11.210 1.00 54.96 C +ATOM 407 CG LEU A 357 20.355 -4.069 -10.465 1.00 55.48 C +ATOM 408 CD1 LEU A 357 20.069 -5.312 -11.247 1.00 56.14 C +ATOM 409 CD2 LEU A 357 21.839 -3.907 -10.104 1.00 55.11 C +ATOM 410 N GLU A 358 18.755 0.345 -10.302 1.00 55.63 N +ATOM 411 CA GLU A 358 18.534 1.660 -10.895 1.00 55.73 C +ATOM 412 C GLU A 358 19.831 2.125 -11.530 1.00 55.24 C +ATOM 413 O GLU A 358 20.796 2.402 -10.836 1.00 55.21 O +ATOM 414 CB GLU A 358 18.070 2.672 -9.855 1.00 56.10 C +ATOM 415 CG GLU A 358 17.534 3.964 -10.489 1.00 57.17 C +ATOM 416 CD GLU A 358 17.521 5.158 -9.553 1.00 57.97 C +ATOM 417 OE1 GLU A 358 17.662 5.014 -8.312 1.00 63.21 O +ATOM 418 OE2 GLU A 358 17.380 6.282 -10.074 1.00 63.43 O +ATOM 419 N PHE A 359 19.857 2.184 -12.854 1.00 54.72 N +ATOM 420 CA PHE A 359 21.018 2.680 -13.568 1.00 54.78 C +ATOM 421 C PHE A 359 20.971 4.204 -13.648 1.00 54.82 C +ATOM 422 O PHE A 359 19.909 4.812 -13.514 1.00 54.82 O +ATOM 423 CB PHE A 359 21.092 2.063 -14.968 1.00 54.47 C +ATOM 424 CG PHE A 359 21.450 0.607 -14.964 1.00 54.20 C +ATOM 425 CD1 PHE A 359 20.471 -0.361 -14.819 1.00 53.59 C +ATOM 426 CD2 PHE A 359 22.767 0.207 -15.090 1.00 53.88 C +ATOM 427 CE1 PHE A 359 20.800 -1.705 -14.812 1.00 54.51 C +ATOM 428 CE2 PHE A 359 23.105 -1.134 -15.080 1.00 53.82 C +ATOM 429 CZ PHE A 359 22.120 -2.091 -14.941 1.00 53.83 C +ATOM 430 N GLU A 360 22.127 4.817 -13.869 1.00 54.74 N +ATOM 431 CA GLU A 360 22.205 6.268 -14.014 1.00 54.94 C +ATOM 432 C GLU A 360 21.710 6.727 -15.390 1.00 54.70 C +ATOM 433 O GLU A 360 21.255 7.865 -15.542 1.00 54.64 O +ATOM 434 CB GLU A 360 23.638 6.756 -13.764 1.00 55.34 C +ATOM 435 CG GLU A 360 24.137 6.549 -12.335 1.00 57.05 C +ATOM 436 CD GLU A 360 23.646 7.622 -11.361 1.00 59.68 C +ATOM 437 OE1 GLU A 360 24.464 8.458 -10.921 1.00 60.89 O +ATOM 438 OE2 GLU A 360 22.440 7.631 -11.031 1.00 62.81 O +ATOM 439 N ARG A 361 21.805 5.845 -16.387 1.00 54.62 N +ATOM 440 CA ARG A 361 21.295 6.125 -17.728 1.00 54.53 C +ATOM 441 C ARG A 361 20.388 5.001 -18.212 1.00 54.39 C +ATOM 442 O ARG A 361 20.587 3.833 -17.867 1.00 54.19 O +ATOM 443 CB ARG A 361 22.451 6.333 -18.707 1.00 54.82 C +ATOM 444 N VAL A 362 19.392 5.364 -19.014 1.00 54.17 N +ATOM 445 CA VAL A 362 18.460 4.392 -19.573 1.00 54.41 C +ATOM 446 C VAL A 362 19.160 3.412 -20.527 1.00 54.34 C +ATOM 447 O VAL A 362 18.806 2.239 -20.558 1.00 54.64 O +ATOM 448 CB VAL A 362 17.247 5.082 -20.258 1.00 54.30 C +ATOM 449 CG1 VAL A 362 17.686 5.878 -21.467 1.00 54.28 C +ATOM 450 CG2 VAL A 362 16.185 4.045 -20.636 1.00 54.01 C +ATOM 451 N GLU A 363 20.163 3.887 -21.266 1.00 54.28 N +ATOM 452 CA GLU A 363 20.971 3.041 -22.173 1.00 54.42 C +ATOM 453 C GLU A 363 21.516 1.793 -21.468 1.00 54.03 C +ATOM 454 O GLU A 363 21.522 0.697 -22.036 1.00 53.81 O +ATOM 455 CB GLU A 363 22.140 3.861 -22.776 1.00 54.59 C +ATOM 456 CG GLU A 363 23.213 3.047 -23.529 1.00 55.20 C +ATOM 457 CD GLU A 363 24.361 3.899 -24.067 1.00 56.29 C +ATOM 458 OE1 GLU A 363 24.807 4.827 -23.347 1.00 58.53 O +ATOM 459 OE2 GLU A 363 24.830 3.634 -25.206 1.00 59.92 O +ATOM 460 N SER A 364 21.985 1.980 -20.238 1.00 53.71 N +ATOM 461 CA SER A 364 22.561 0.894 -19.445 1.00 53.61 C +ATOM 462 C SER A 364 21.493 -0.116 -19.050 1.00 53.40 C +ATOM 463 O SER A 364 21.717 -1.322 -19.123 1.00 53.31 O +ATOM 464 CB SER A 364 23.248 1.458 -18.200 1.00 53.18 C +ATOM 465 OG SER A 364 24.127 2.493 -18.563 1.00 52.71 O +ATOM 466 N ALA A 365 20.328 0.393 -18.657 1.00 53.46 N +ATOM 467 CA ALA A 365 19.187 -0.438 -18.279 1.00 53.60 C +ATOM 468 C ALA A 365 18.712 -1.292 -19.451 1.00 53.51 C +ATOM 469 O ALA A 365 18.475 -2.496 -19.308 1.00 54.56 O +ATOM 470 CB ALA A 365 18.035 0.446 -17.749 1.00 53.08 C +ATOM 471 N ILE A 366 18.594 -0.673 -20.619 1.00 53.19 N +ATOM 472 CA ILE A 366 18.177 -1.384 -21.823 1.00 53.06 C +ATOM 473 C ILE A 366 19.143 -2.533 -22.144 1.00 53.07 C +ATOM 474 O ILE A 366 18.712 -3.657 -22.385 1.00 52.91 O +ATOM 475 CB ILE A 366 18.090 -0.439 -23.040 1.00 53.23 C +ATOM 476 CG1 ILE A 366 17.030 0.653 -22.818 1.00 52.67 C +ATOM 477 CG2 ILE A 366 17.802 -1.234 -24.325 1.00 52.65 C +ATOM 478 CD1 ILE A 366 17.320 1.947 -23.609 1.00 52.85 C +ATOM 479 N LYS A 367 20.438 -2.234 -22.130 1.00 52.63 N +ATOM 480 CA LYS A 367 21.484 -3.232 -22.359 1.00 53.09 C +ATOM 481 C LYS A 367 21.391 -4.391 -21.391 1.00 52.66 C +ATOM 482 O LYS A 367 21.594 -5.526 -21.781 1.00 52.65 O +ATOM 483 CB LYS A 367 22.888 -2.601 -22.243 1.00 52.96 C +ATOM 484 CG LYS A 367 23.316 -1.734 -23.408 1.00 53.36 C +ATOM 485 CD LYS A 367 24.694 -1.105 -23.138 1.00 53.36 C +ATOM 486 CE LYS A 367 25.093 -0.143 -24.225 1.00 53.89 C +ATOM 487 NZ LYS A 367 26.482 0.424 -24.051 1.00 55.00 N +ATOM 488 N ALA A 368 21.141 -4.083 -20.119 1.00 53.15 N +ATOM 489 CA ALA A 368 21.020 -5.102 -19.086 1.00 53.66 C +ATOM 490 C ALA A 368 19.820 -6.021 -19.333 1.00 53.80 C +ATOM 491 O ALA A 368 19.961 -7.233 -19.225 1.00 53.82 O +ATOM 492 CB ALA A 368 20.930 -4.457 -17.686 1.00 53.40 C +ATOM 493 N VAL A 369 18.660 -5.447 -19.665 1.00 53.86 N +ATOM 494 CA VAL A 369 17.435 -6.237 -19.969 1.00 54.12 C +ATOM 495 C VAL A 369 17.650 -7.154 -21.167 1.00 53.64 C +ATOM 496 O VAL A 369 17.380 -8.353 -21.094 1.00 54.39 O +ATOM 497 CB VAL A 369 16.155 -5.341 -20.181 1.00 53.67 C +ATOM 498 CG1 VAL A 369 14.946 -6.167 -20.675 1.00 56.22 C +ATOM 499 CG2 VAL A 369 15.806 -4.605 -18.921 1.00 54.04 C +ATOM 500 N VAL A 370 18.148 -6.597 -22.263 1.00 53.57 N +ATOM 501 CA VAL A 370 18.452 -7.382 -23.444 1.00 53.39 C +ATOM 502 C VAL A 370 19.467 -8.501 -23.119 1.00 53.27 C +ATOM 503 O VAL A 370 19.291 -9.618 -23.564 1.00 52.24 O +ATOM 504 CB VAL A 370 18.962 -6.465 -24.633 1.00 53.52 C +ATOM 505 CG1 VAL A 370 19.325 -7.291 -25.838 1.00 51.97 C +ATOM 506 CG2 VAL A 370 17.894 -5.410 -25.011 1.00 52.78 C +ATOM 507 N ASP A 371 20.500 -8.203 -22.322 1.00 53.35 N +ATOM 508 CA ASP A 371 21.561 -9.185 -22.047 1.00 54.12 C +ATOM 509 C ASP A 371 21.150 -10.284 -21.044 1.00 54.33 C +ATOM 510 O ASP A 371 21.616 -11.424 -21.152 1.00 54.50 O +ATOM 511 CB ASP A 371 22.844 -8.496 -21.557 1.00 53.77 C +ATOM 512 CG ASP A 371 24.062 -9.424 -21.603 1.00 53.71 C +ATOM 513 OD1 ASP A 371 24.396 -9.941 -22.679 1.00 52.77 O +ATOM 514 OD2 ASP A 371 24.681 -9.644 -20.546 1.00 54.80 O +ATOM 515 N LEU A 372 20.287 -9.949 -20.091 1.00 54.92 N +ATOM 516 CA LEU A 372 19.940 -10.872 -18.997 1.00 55.41 C +ATOM 517 C LEU A 372 18.601 -11.605 -19.140 1.00 56.35 C +ATOM 518 O LEU A 372 18.436 -12.681 -18.546 1.00 56.43 O +ATOM 519 CB LEU A 372 19.973 -10.151 -17.645 1.00 55.17 C +ATOM 520 CG LEU A 372 21.305 -9.587 -17.170 1.00 54.83 C +ATOM 521 CD1 LEU A 372 21.101 -8.776 -15.914 1.00 54.40 C +ATOM 522 CD2 LEU A 372 22.386 -10.678 -16.974 1.00 55.39 C +ATOM 523 N ASN A 373 17.649 -11.035 -19.885 1.00 56.12 N +ATOM 524 CA ASN A 373 16.373 -11.703 -20.080 1.00 56.54 C +ATOM 525 C ASN A 373 16.595 -13.046 -20.791 1.00 56.86 C +ATOM 526 O ASN A 373 17.189 -13.112 -21.863 1.00 57.12 O +ATOM 527 CB ASN A 373 15.361 -10.811 -20.818 1.00 56.19 C +ATOM 528 CG ASN A 373 13.939 -11.384 -20.798 1.00 56.24 C +ATOM 529 OD1 ASN A 373 13.419 -11.780 -19.752 1.00 53.70 O +ATOM 530 ND2 ASN A 373 13.310 -11.429 -21.964 1.00 55.76 N +ATOM 531 N GLY A 374 16.147 -14.119 -20.143 1.00 57.47 N +ATOM 532 CA GLY A 374 16.258 -15.470 -20.676 1.00 57.41 C +ATOM 533 C GLY A 374 17.562 -16.156 -20.327 1.00 57.78 C +ATOM 534 O GLY A 374 17.799 -17.293 -20.750 1.00 57.55 O +ATOM 535 N ARG A 375 18.411 -15.488 -19.553 1.00 58.38 N +ATOM 536 CA ARG A 375 19.748 -16.005 -19.273 1.00 58.61 C +ATOM 537 C ARG A 375 19.718 -17.116 -18.234 1.00 58.50 C +ATOM 538 O ARG A 375 18.957 -17.056 -17.271 1.00 57.00 O +ATOM 539 CB ARG A 375 20.650 -14.886 -18.776 1.00 59.21 C +ATOM 540 CG ARG A 375 21.965 -15.363 -18.235 1.00 60.94 C +ATOM 541 CD ARG A 375 23.037 -14.391 -18.555 1.00 65.45 C +ATOM 542 NE ARG A 375 23.298 -14.397 -19.983 1.00 66.30 N +ATOM 543 CZ ARG A 375 23.952 -13.437 -20.620 1.00 68.06 C +ATOM 544 NH1 ARG A 375 24.406 -12.379 -19.950 1.00 68.73 N +ATOM 545 NH2 ARG A 375 24.147 -13.528 -21.933 1.00 67.88 N +ATOM 546 N TYR A 376 20.572 -18.117 -18.437 1.00 58.48 N +ATOM 547 CA TYR A 376 20.701 -19.242 -17.519 1.00 58.98 C +ATOM 548 C TYR A 376 21.701 -18.892 -16.424 1.00 59.28 C +ATOM 549 O TYR A 376 22.884 -18.669 -16.697 1.00 59.97 O +ATOM 550 CB TYR A 376 21.164 -20.467 -18.295 1.00 59.11 C +ATOM 551 CG TYR A 376 21.256 -21.771 -17.536 1.00 59.12 C +ATOM 552 CD1 TYR A 376 22.456 -22.167 -16.941 1.00 60.05 C +ATOM 553 CD2 TYR A 376 20.180 -22.651 -17.484 1.00 59.00 C +ATOM 554 CE1 TYR A 376 22.568 -23.378 -16.270 1.00 59.71 C +ATOM 555 CE2 TYR A 376 20.287 -23.881 -16.817 1.00 59.75 C +ATOM 556 CZ TYR A 376 21.487 -24.240 -16.212 1.00 59.69 C +ATOM 557 OH TYR A 376 21.620 -25.457 -15.552 1.00 60.44 O +ATOM 558 N PHE A 377 21.218 -18.873 -15.189 1.00 59.50 N +ATOM 559 CA PHE A 377 21.991 -18.462 -14.029 1.00 59.00 C +ATOM 560 C PHE A 377 21.783 -19.498 -12.915 1.00 58.50 C +ATOM 561 O PHE A 377 20.744 -19.502 -12.251 1.00 58.31 O +ATOM 562 CB PHE A 377 21.527 -17.064 -13.593 1.00 61.08 C +ATOM 563 CG PHE A 377 22.193 -16.554 -12.343 1.00 61.36 C +ATOM 564 CD1 PHE A 377 23.460 -15.980 -12.400 1.00 64.36 C +ATOM 565 CD2 PHE A 377 21.558 -16.651 -11.111 1.00 63.43 C +ATOM 566 CE1 PHE A 377 24.085 -15.510 -11.239 1.00 64.08 C +ATOM 567 CE2 PHE A 377 22.172 -16.181 -9.946 1.00 63.59 C +ATOM 568 CZ PHE A 377 23.434 -15.608 -10.011 1.00 63.91 C +ATOM 569 N GLY A 378 22.768 -20.382 -12.742 1.00 57.35 N +ATOM 570 CA GLY A 378 22.758 -21.415 -11.701 1.00 56.60 C +ATOM 571 C GLY A 378 21.553 -22.335 -11.738 1.00 55.69 C +ATOM 572 O GLY A 378 20.907 -22.570 -10.709 1.00 55.94 O +ATOM 573 N GLY A 379 21.228 -22.826 -12.929 1.00 54.24 N +ATOM 574 CA GLY A 379 20.063 -23.686 -13.111 1.00 53.74 C +ATOM 575 C GLY A 379 18.736 -22.961 -13.310 1.00 52.27 C +ATOM 576 O GLY A 379 17.737 -23.596 -13.603 1.00 50.79 O +ATOM 577 N ARG A 380 18.730 -21.638 -13.167 1.00 52.21 N +ATOM 578 CA ARG A 380 17.498 -20.844 -13.257 1.00 52.55 C +ATOM 579 C ARG A 380 17.474 -19.998 -14.513 1.00 52.25 C +ATOM 580 O ARG A 380 18.517 -19.527 -14.957 1.00 52.88 O +ATOM 581 CB ARG A 380 17.367 -19.919 -12.045 1.00 52.08 C +ATOM 582 CG ARG A 380 17.574 -20.621 -10.721 1.00 53.68 C +ATOM 583 CD ARG A 380 17.606 -19.641 -9.571 1.00 54.13 C +ATOM 584 NE ARG A 380 16.274 -19.306 -9.102 1.00 55.30 N +ATOM 585 CZ ARG A 380 15.632 -19.886 -8.090 1.00 55.89 C +ATOM 586 NH1 ARG A 380 16.176 -20.866 -7.385 1.00 56.64 N +ATOM 587 NH2 ARG A 380 14.420 -19.462 -7.767 1.00 56.62 N +ATOM 588 N VAL A 381 16.283 -19.772 -15.061 1.00 51.85 N +ATOM 589 CA VAL A 381 16.118 -18.848 -16.188 1.00 51.69 C +ATOM 590 C VAL A 381 15.656 -17.491 -15.680 1.00 51.49 C +ATOM 591 O VAL A 381 14.548 -17.357 -15.160 1.00 51.15 O +ATOM 592 CB VAL A 381 15.109 -19.367 -17.229 1.00 51.67 C +ATOM 593 CG1 VAL A 381 15.080 -18.430 -18.440 1.00 50.44 C +ATOM 594 CG2 VAL A 381 15.452 -20.811 -17.626 1.00 50.44 C +ATOM 595 N VAL A 382 16.523 -16.494 -15.833 1.00 51.33 N +ATOM 596 CA VAL A 382 16.260 -15.150 -15.350 1.00 52.51 C +ATOM 597 C VAL A 382 15.228 -14.469 -16.255 1.00 52.40 C +ATOM 598 O VAL A 382 15.240 -14.653 -17.478 1.00 52.30 O +ATOM 599 CB VAL A 382 17.567 -14.312 -15.324 1.00 52.63 C +ATOM 600 CG1 VAL A 382 17.281 -12.839 -15.023 1.00 52.45 C +ATOM 601 CG2 VAL A 382 18.568 -14.927 -14.314 1.00 52.71 C +ATOM 602 N LYS A 383 14.325 -13.732 -15.626 1.00 52.78 N +ATOM 603 CA LYS A 383 13.382 -12.846 -16.299 1.00 53.81 C +ATOM 604 C LYS A 383 13.809 -11.433 -15.983 1.00 54.04 C +ATOM 605 O LYS A 383 13.857 -11.059 -14.825 1.00 54.79 O +ATOM 606 CB LYS A 383 11.967 -13.060 -15.766 1.00 53.42 C +ATOM 607 CG LYS A 383 11.357 -14.408 -16.052 1.00 55.29 C +ATOM 608 CD LYS A 383 9.922 -14.462 -15.458 1.00 55.94 C +ATOM 609 CE LYS A 383 9.057 -15.543 -16.080 1.00 57.01 C +ATOM 610 NZ LYS A 383 7.633 -15.445 -15.584 1.00 58.43 N +ATOM 611 N ALA A 384 14.125 -10.653 -17.012 1.00 54.31 N +ATOM 612 CA ALA A 384 14.537 -9.271 -16.854 1.00 53.92 C +ATOM 613 C ALA A 384 13.559 -8.369 -17.563 1.00 53.91 C +ATOM 614 O ALA A 384 13.127 -8.666 -18.674 1.00 53.92 O +ATOM 615 CB ALA A 384 15.927 -9.060 -17.404 1.00 53.34 C +ATOM 616 N CYS A 385 13.187 -7.282 -16.897 1.00 53.99 N +ATOM 617 CA CYS A 385 12.301 -6.294 -17.488 1.00 54.28 C +ATOM 618 C CYS A 385 12.560 -4.940 -16.863 1.00 54.08 C +ATOM 619 O CYS A 385 13.457 -4.791 -16.022 1.00 54.30 O +ATOM 620 CB CYS A 385 10.830 -6.724 -17.349 1.00 55.04 C +ATOM 621 SG CYS A 385 10.117 -6.699 -15.688 1.00 56.33 S +ATOM 622 N PHE A 386 11.794 -3.951 -17.310 1.00 54.64 N +ATOM 623 CA PHE A 386 11.818 -2.611 -16.749 1.00 54.49 C +ATOM 624 C PHE A 386 10.755 -2.471 -15.636 1.00 54.68 C +ATOM 625 O PHE A 386 9.811 -3.275 -15.519 1.00 54.27 O +ATOM 626 CB PHE A 386 11.558 -1.574 -17.852 1.00 54.46 C +ATOM 627 CG PHE A 386 12.531 -1.646 -19.002 1.00 54.93 C +ATOM 628 CD1 PHE A 386 13.820 -1.161 -18.863 1.00 53.57 C +ATOM 629 CD2 PHE A 386 12.140 -2.178 -20.238 1.00 54.10 C +ATOM 630 CE1 PHE A 386 14.714 -1.218 -19.913 1.00 54.92 C +ATOM 631 CE2 PHE A 386 13.029 -2.231 -21.295 1.00 54.49 C +ATOM 632 CZ PHE A 386 14.326 -1.748 -21.129 1.00 54.55 C +ATOM 633 N TYR A 387 10.937 -1.443 -14.816 1.00 54.31 N +ATOM 634 CA TYR A 387 10.017 -1.134 -13.741 1.00 54.02 C +ATOM 635 C TYR A 387 9.762 0.370 -13.731 1.00 53.76 C +ATOM 636 O TYR A 387 10.650 1.169 -14.050 1.00 53.24 O +ATOM 637 CB TYR A 387 10.601 -1.590 -12.407 1.00 53.33 C +ATOM 638 CG TYR A 387 9.578 -1.859 -11.342 1.00 53.50 C +ATOM 639 CD1 TYR A 387 8.868 -3.060 -11.322 1.00 53.88 C +ATOM 640 CD2 TYR A 387 9.326 -0.926 -10.330 1.00 51.53 C +ATOM 641 CE1 TYR A 387 7.926 -3.312 -10.334 1.00 53.07 C +ATOM 642 CE2 TYR A 387 8.404 -1.175 -9.350 1.00 51.53 C +ATOM 643 CZ TYR A 387 7.709 -2.367 -9.350 1.00 51.58 C +ATOM 644 OH TYR A 387 6.794 -2.605 -8.359 1.00 53.49 O +ATOM 645 N ASN A 388 8.536 0.732 -13.375 1.00 53.60 N +ATOM 646 CA ASN A 388 8.118 2.113 -13.308 1.00 54.06 C +ATOM 647 C ASN A 388 8.989 2.906 -12.306 1.00 54.83 C +ATOM 648 O ASN A 388 9.140 2.520 -11.136 1.00 53.84 O +ATOM 649 CB ASN A 388 6.633 2.167 -12.923 1.00 53.65 C +ATOM 650 CG ASN A 388 6.078 3.561 -12.960 1.00 52.29 C +ATOM 651 OD1 ASN A 388 5.943 4.196 -11.932 1.00 48.36 O +ATOM 652 ND2 ASN A 388 5.798 4.062 -14.155 1.00 48.09 N +ATOM 653 N LEU A 389 9.561 4.010 -12.783 1.00 56.08 N +ATOM 654 CA LEU A 389 10.499 4.800 -11.993 1.00 56.40 C +ATOM 655 C LEU A 389 9.808 5.389 -10.769 1.00 57.06 C +ATOM 656 O LEU A 389 10.376 5.390 -9.681 1.00 57.74 O +ATOM 657 CB LEU A 389 11.107 5.924 -12.841 1.00 56.89 C +ATOM 658 CG LEU A 389 12.496 6.483 -12.490 1.00 57.21 C +ATOM 659 CD1 LEU A 389 12.519 7.983 -12.732 1.00 57.74 C +ATOM 660 CD2 LEU A 389 12.937 6.180 -11.059 1.00 59.57 C +ATOM 661 N ASP A 390 8.579 5.871 -10.944 1.00 57.24 N +ATOM 662 CA ASP A 390 7.815 6.482 -9.855 1.00 57.03 C +ATOM 663 C ASP A 390 7.457 5.469 -8.761 1.00 56.65 C +ATOM 664 O ASP A 390 7.587 5.766 -7.576 1.00 55.93 O +ATOM 665 CB ASP A 390 6.541 7.151 -10.392 1.00 57.45 C +ATOM 666 CG ASP A 390 6.777 8.586 -10.879 1.00 59.09 C +ATOM 667 OD1 ASP A 390 7.949 9.000 -11.045 1.00 61.90 O +ATOM 668 OD2 ASP A 390 5.778 9.301 -11.103 1.00 59.70 O +ATOM 669 N LYS A 391 6.990 4.290 -9.166 1.00 56.45 N +ATOM 670 CA LYS A 391 6.759 3.174 -8.240 1.00 56.82 C +ATOM 671 C LYS A 391 8.034 2.795 -7.476 1.00 56.65 C +ATOM 672 O LYS A 391 7.986 2.550 -6.271 1.00 56.23 O +ATOM 673 CB LYS A 391 6.246 1.933 -8.983 1.00 56.99 C +ATOM 674 CG LYS A 391 4.846 2.054 -9.559 1.00 56.74 C +ATOM 675 CD LYS A 391 3.788 1.944 -8.494 1.00 56.96 C +ATOM 676 CE LYS A 391 2.382 2.054 -9.087 1.00 57.08 C +ATOM 677 NZ LYS A 391 1.325 1.849 -8.042 1.00 57.05 N +ATOM 678 N PHE A 392 9.164 2.735 -8.181 1.00 57.18 N +ATOM 679 CA PHE A 392 10.441 2.414 -7.550 1.00 57.43 C +ATOM 680 C PHE A 392 10.818 3.431 -6.456 1.00 57.71 C +ATOM 681 O PHE A 392 11.250 3.054 -5.361 1.00 57.80 O +ATOM 682 CB PHE A 392 11.556 2.313 -8.596 1.00 57.94 C +ATOM 683 CG PHE A 392 12.884 1.900 -8.023 1.00 57.73 C +ATOM 684 CD1 PHE A 392 13.073 0.609 -7.542 1.00 58.42 C +ATOM 685 CD2 PHE A 392 13.932 2.812 -7.923 1.00 59.14 C +ATOM 686 CE1 PHE A 392 14.295 0.217 -6.992 1.00 58.56 C +ATOM 687 CE2 PHE A 392 15.157 2.434 -7.364 1.00 59.38 C +ATOM 688 CZ PHE A 392 15.338 1.124 -6.906 1.00 58.88 C +ATOM 689 N ARG A 393 10.637 4.717 -6.746 1.00 57.95 N +ATOM 690 CA ARG A 393 11.048 5.777 -5.819 1.00 57.91 C +ATOM 691 C ARG A 393 10.257 5.791 -4.504 1.00 57.74 C +ATOM 692 O ARG A 393 10.817 6.118 -3.458 1.00 57.77 O +ATOM 693 CB ARG A 393 10.981 7.149 -6.495 1.00 58.68 C +ATOM 694 CG ARG A 393 11.937 7.311 -7.664 1.00 60.19 C +ATOM 695 CD ARG A 393 13.406 7.392 -7.243 1.00 62.42 C +ATOM 696 NE ARG A 393 14.302 7.433 -8.407 1.00 62.48 N +ATOM 697 CZ ARG A 393 14.472 8.493 -9.201 1.00 63.36 C +ATOM 698 NH1 ARG A 393 13.802 9.619 -8.996 1.00 63.13 N +ATOM 699 NH2 ARG A 393 15.306 8.424 -10.231 1.00 63.87 N +ATOM 700 N VAL A 394 8.977 5.425 -4.540 1.00 57.34 N +ATOM 701 CA VAL A 394 8.186 5.317 -3.301 1.00 57.16 C +ATOM 702 C VAL A 394 8.222 3.909 -2.684 1.00 56.83 C +ATOM 703 O VAL A 394 7.476 3.618 -1.745 1.00 56.74 O +ATOM 704 CB VAL A 394 6.718 5.786 -3.502 1.00 57.14 C +ATOM 705 CG1 VAL A 394 6.690 7.251 -3.938 1.00 57.72 C +ATOM 706 CG2 VAL A 394 5.967 4.895 -4.490 1.00 56.46 C +ATOM 707 N LEU A 395 9.109 3.061 -3.215 1.00 57.05 N +ATOM 708 CA LEU A 395 9.306 1.664 -2.785 1.00 56.61 C +ATOM 709 C LEU A 395 8.045 0.797 -2.885 1.00 56.40 C +ATOM 710 O LEU A 395 7.774 -0.041 -2.024 1.00 55.93 O +ATOM 711 CB LEU A 395 9.929 1.606 -1.388 1.00 56.55 C +ATOM 712 CG LEU A 395 11.290 2.298 -1.267 1.00 56.66 C +ATOM 713 CD1 LEU A 395 11.810 2.183 0.161 1.00 56.90 C +ATOM 714 CD2 LEU A 395 12.301 1.725 -2.257 1.00 57.33 C +ATOM 715 N ASP A 396 7.300 0.998 -3.971 1.00 56.20 N +ATOM 716 CA ASP A 396 6.157 0.163 -4.305 1.00 55.88 C +ATOM 717 C ASP A 396 6.700 -0.907 -5.264 1.00 55.36 C +ATOM 718 O ASP A 396 6.700 -0.748 -6.486 1.00 54.50 O +ATOM 719 CB ASP A 396 5.017 0.998 -4.913 1.00 55.94 C +ATOM 720 CG ASP A 396 3.715 0.219 -5.015 1.00 56.87 C +ATOM 721 OD1 ASP A 396 3.795 -1.021 -5.186 1.00 60.79 O +ATOM 722 OD2 ASP A 396 2.622 0.833 -4.927 1.00 57.80 O +ATOM 723 N LEU A 397 7.178 -1.997 -4.668 1.00 55.15 N +ATOM 724 CA LEU A 397 8.011 -2.987 -5.352 1.00 55.23 C +ATOM 725 C LEU A 397 7.300 -4.306 -5.660 1.00 55.19 C +ATOM 726 O LEU A 397 7.938 -5.244 -6.151 1.00 54.53 O +ATOM 727 CB LEU A 397 9.255 -3.265 -4.498 1.00 54.91 C +ATOM 728 CG LEU A 397 10.113 -2.038 -4.176 1.00 54.22 C +ATOM 729 CD1 LEU A 397 11.330 -2.447 -3.383 1.00 53.20 C +ATOM 730 CD2 LEU A 397 10.519 -1.280 -5.450 1.00 51.82 C +ATOM 731 N ALA A 398 5.995 -4.386 -5.389 1.00 55.35 N +ATOM 732 CA ALA A 398 5.233 -5.624 -5.606 1.00 56.04 C +ATOM 733 C ALA A 398 4.243 -5.559 -6.775 1.00 56.29 C +ATOM 734 O ALA A 398 3.357 -6.401 -6.881 1.00 56.59 O +ATOM 735 CB ALA A 398 4.519 -6.042 -4.319 1.00 55.94 C +ATOM 736 N GLU A 399 4.423 -4.598 -7.676 1.00 56.89 N +ATOM 737 CA GLU A 399 3.514 -4.422 -8.812 1.00 57.61 C +ATOM 738 C GLU A 399 3.638 -5.531 -9.871 1.00 57.79 C +ATOM 739 O GLU A 399 4.706 -6.085 -10.069 1.00 57.52 O +ATOM 740 CB GLU A 399 3.758 -3.060 -9.475 1.00 57.71 C +ATOM 741 CG GLU A 399 3.388 -1.874 -8.612 1.00 58.97 C +ATOM 742 CD GLU A 399 1.884 -1.726 -8.445 1.00 59.21 C +ATOM 743 OE1 GLU A 399 1.161 -1.873 -9.455 1.00 59.43 O +ATOM 744 OE2 GLU A 399 1.419 -1.463 -7.313 1.00 62.25 O +ATOM 745 N GLN A 400 2.527 -5.833 -10.541 1.00 58.70 N +ATOM 746 CA GLN A 400 2.504 -6.757 -11.682 1.00 59.33 C +ATOM 747 C GLN A 400 3.309 -6.138 -12.818 1.00 59.75 C +ATOM 748 O GLN A 400 3.175 -4.944 -13.090 1.00 59.37 O +ATOM 749 CB GLN A 400 1.065 -6.981 -12.181 1.00 59.78 C +ATOM 750 CG GLN A 400 0.094 -7.642 -11.195 1.00 60.52 C +ATOM 751 CD GLN A 400 0.176 -9.165 -11.203 1.00 61.61 C +ATOM 752 OE1 GLN A 400 1.242 -9.743 -11.433 1.00 63.07 O +ATOM 753 NE2 GLN A 400 -0.958 -9.821 -10.943 1.00 62.27 N +ATOM 754 N VAL A 401 4.130 -6.944 -13.488 1.00 60.34 N +ATOM 755 CA VAL A 401 4.975 -6.450 -14.581 1.00 60.72 C +ATOM 756 C VAL A 401 4.722 -7.190 -15.898 1.00 61.64 C +ATOM 757 O VAL A 401 4.411 -8.394 -15.889 1.00 62.16 O +ATOM 758 CB VAL A 401 6.470 -6.553 -14.228 1.00 60.94 C +ATOM 759 CG1 VAL A 401 6.778 -5.649 -13.048 1.00 60.81 C +ATOM 760 CG2 VAL A 401 6.872 -8.018 -13.949 1.00 60.00 C +ATOM 761 OXT VAL A 401 4.842 -6.599 -16.992 1.00 61.95 O Added: SwiftApps/modFTdock/input/indata/2pnt-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2pnt-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2pnt-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,679 @@ +ATOM 1 N GLN A 97 -28.152 38.341 17.841 1.00 46.05 N +ATOM 2 CA GLN A 97 -26.792 37.941 17.352 1.00 46.72 C +ATOM 3 C GLN A 97 -25.715 37.901 18.471 1.00 46.26 C +ATOM 4 O GLN A 97 -25.437 38.909 19.098 1.00 45.07 O +ATOM 5 CB GLN A 97 -26.358 38.907 16.254 1.00 46.54 C +ATOM 6 CG GLN A 97 -24.953 38.677 15.701 1.00 47.92 C +ATOM 7 CD GLN A 97 -24.690 39.414 14.396 1.00 46.84 C +ATOM 8 OE1 GLN A 97 -23.634 39.985 14.209 1.00 49.74 O +ATOM 9 NE2 GLN A 97 -25.652 39.400 13.497 1.00 48.46 N +ATOM 10 N GLN A 98 -25.098 36.740 18.683 1.00 45.63 N +ATOM 11 CA GLN A 98 -23.855 36.656 19.466 1.00 45.27 C +ATOM 12 C GLN A 98 -22.670 36.593 18.521 1.00 44.70 C +ATOM 13 O GLN A 98 -22.816 36.161 17.381 1.00 43.68 O +ATOM 14 CB GLN A 98 -23.881 35.432 20.358 1.00 45.71 C +ATOM 15 CG GLN A 98 -25.175 35.340 21.172 1.00 48.94 C +ATOM 16 CD GLN A 98 -25.210 34.100 22.025 1.00 54.57 C +ATOM 17 OE1 GLN A 98 -24.405 33.947 22.966 1.00 56.66 O +ATOM 18 NE2 GLN A 98 -26.144 33.186 21.707 1.00 55.71 N +ATOM 19 N ARG A 99 -21.525 37.075 18.998 1.00 43.94 N +ATOM 20 CA ARG A 99 -20.268 37.043 18.287 1.00 44.88 C +ATOM 21 C ARG A 99 -19.179 36.535 19.202 1.00 44.64 C +ATOM 22 O ARG A 99 -19.105 36.925 20.345 1.00 44.71 O +ATOM 23 CB ARG A 99 -19.865 38.431 17.806 1.00 44.80 C +ATOM 24 CG ARG A 99 -20.961 39.127 17.103 1.00 47.98 C +ATOM 25 CD ARG A 99 -20.550 40.477 16.553 1.00 52.05 C +ATOM 26 NE ARG A 99 -21.708 41.170 15.990 1.00 54.04 N +ATOM 27 CZ ARG A 99 -21.653 42.304 15.285 1.00 56.34 C +ATOM 28 NH1 ARG A 99 -20.494 42.910 15.058 1.00 57.64 N +ATOM 29 NH2 ARG A 99 -22.769 42.844 14.807 1.00 56.21 N +ATOM 30 N LYS A 100 -18.320 35.679 18.682 1.00 44.21 N +ATOM 31 CA LYS A 100 -17.236 35.094 19.462 1.00 44.25 C +ATOM 32 C LYS A 100 -16.050 34.807 18.544 1.00 42.76 C +ATOM 33 O LYS A 100 -16.217 34.180 17.503 1.00 42.49 O +ATOM 34 CB LYS A 100 -17.706 33.791 20.084 1.00 44.01 C +ATOM 35 CG LYS A 100 -16.904 33.350 21.291 1.00 46.70 C +ATOM 36 CD LYS A 100 -17.404 31.994 21.807 1.00 47.48 C +ATOM 37 CE LYS A 100 -17.261 31.845 23.298 1.00 51.91 C +ATOM 38 NZ LYS A 100 -18.387 32.568 23.999 1.00 52.96 N +ATOM 39 N VAL A 101 -14.866 35.274 18.911 1.00 40.97 N +ATOM 40 CA VAL A 101 -13.681 34.951 18.158 1.00 40.48 C +ATOM 41 C VAL A 101 -13.061 33.664 18.711 1.00 40.11 C +ATOM 42 O VAL A 101 -12.718 33.568 19.898 1.00 39.62 O +ATOM 43 CB VAL A 101 -12.655 36.095 18.155 1.00 39.93 C +ATOM 44 CG1 VAL A 101 -11.418 35.726 17.305 1.00 41.63 C +ATOM 45 CG2 VAL A 101 -13.267 37.316 17.580 1.00 40.46 C +ATOM 46 N LEU A 102 -12.947 32.678 17.833 1.00 40.03 N +ATOM 47 CA LEU A 102 -12.281 31.404 18.107 1.00 40.13 C +ATOM 48 C LEU A 102 -10.920 31.288 17.442 1.00 40.80 C +ATOM 49 O LEU A 102 -10.694 31.796 16.354 1.00 40.86 O +ATOM 50 CB LEU A 102 -13.110 30.227 17.641 1.00 40.37 C +ATOM 51 CG LEU A 102 -14.402 29.839 18.379 1.00 42.16 C +ATOM 52 CD1 LEU A 102 -14.965 30.979 19.196 1.00 42.11 C +ATOM 53 CD2 LEU A 102 -15.438 29.183 17.426 1.00 37.40 C +ATOM 54 N THR A 103 -10.026 30.589 18.139 1.00 41.32 N +ATOM 55 CA THR A 103 -8.711 30.231 17.649 1.00 41.50 C +ATOM 56 C THR A 103 -8.666 28.715 17.653 1.00 41.32 C +ATOM 57 O THR A 103 -8.705 28.100 18.731 1.00 40.82 O +ATOM 58 CB THR A 103 -7.604 30.806 18.571 1.00 41.58 C +ATOM 59 OG1 THR A 103 -7.762 32.221 18.664 1.00 42.06 O +ATOM 60 CG2 THR A 103 -6.182 30.487 18.071 1.00 41.13 C +ATOM 61 N LEU A 104 -8.618 28.136 16.450 1.00 40.92 N +ATOM 62 CA LEU A 104 -8.463 26.691 16.262 1.00 41.28 C +ATOM 63 C LEU A 104 -6.999 26.373 16.001 1.00 40.34 C +ATOM 64 O LEU A 104 -6.313 27.125 15.310 1.00 41.46 O +ATOM 65 CB LEU A 104 -9.285 26.180 15.073 1.00 40.76 C +ATOM 66 CG LEU A 104 -10.807 26.213 15.124 1.00 41.75 C +ATOM 67 CD1 LEU A 104 -11.319 27.639 15.237 1.00 38.26 C +ATOM 68 CD2 LEU A 104 -11.376 25.533 13.879 1.00 41.91 C +ATOM 69 N GLU A 105 -6.531 25.269 16.550 1.00 40.28 N +ATOM 70 CA GLU A 105 -5.136 24.840 16.361 1.00 40.81 C +ATOM 71 C GLU A 105 -5.118 23.347 16.079 1.00 40.55 C +ATOM 72 O GLU A 105 -5.771 22.588 16.763 1.00 39.01 O +ATOM 73 CB GLU A 105 -4.264 25.160 17.602 1.00 40.54 C +ATOM 74 N LYS A 106 -4.346 22.938 15.073 1.00 41.29 N +ATOM 75 CA LYS A 106 -4.233 21.521 14.727 1.00 41.79 C +ATOM 76 C LYS A 106 -2.775 21.096 14.485 1.00 42.49 C +ATOM 77 O LYS A 106 -1.869 21.936 14.403 1.00 42.39 O +ATOM 78 CB LYS A 106 -5.068 21.237 13.484 1.00 41.32 C +ATOM 79 CG LYS A 106 -4.561 21.939 12.245 1.00 41.52 C +ATOM 80 CD LYS A 106 -5.300 21.530 11.009 1.00 40.91 C +ATOM 81 CE LYS A 106 -4.596 22.047 9.780 1.00 41.62 C +ATOM 82 NZ LYS A 106 -3.270 21.408 9.506 1.00 40.96 N +ATOM 83 N GLU A 107 -2.560 19.794 14.329 1.00 44.14 N +ATOM 84 CA GLU A 107 -1.238 19.299 13.882 1.00 46.12 C +ATOM 85 C GLU A 107 -1.206 19.260 12.369 1.00 46.54 C +ATOM 86 O GLU A 107 -2.252 19.160 11.732 1.00 46.80 O +ATOM 87 CB GLU A 107 -0.965 17.897 14.412 1.00 46.36 C +ATOM 88 CG GLU A 107 -1.072 17.790 15.930 1.00 50.71 C +ATOM 89 CD GLU A 107 0.052 18.515 16.658 1.00 56.11 C +ATOM 90 OE1 GLU A 107 1.100 18.808 16.018 1.00 60.08 O +ATOM 91 OE2 GLU A 107 -0.101 18.766 17.880 1.00 59.65 O +ATOM 92 N ASP A 108 0.004 19.306 11.823 1.00 47.53 N +ATOM 93 CA ASP A 108 0.263 19.274 10.372 1.00 48.58 C +ATOM 94 C ASP A 108 -0.478 18.193 9.598 1.00 48.00 C +ATOM 95 O ASP A 108 -1.042 18.480 8.543 1.00 48.47 O +ATOM 96 CB ASP A 108 1.764 19.098 10.126 1.00 49.33 C +ATOM 97 CG ASP A 108 2.546 20.309 10.538 1.00 53.89 C +ATOM 98 OD1 ASP A 108 2.656 21.259 9.710 1.00 59.23 O +ATOM 99 OD2 ASP A 108 3.015 20.319 11.707 1.00 58.25 O +ATOM 100 N ASN A 109 -0.486 16.977 10.136 1.00 47.61 N +ATOM 101 CA ASN A 109 -1.026 15.798 9.460 1.00 48.30 C +ATOM 102 C ASN A 109 -2.512 15.566 9.784 1.00 48.89 C +ATOM 103 O ASN A 109 -2.954 14.435 10.016 1.00 50.40 O +ATOM 104 CB ASN A 109 -0.223 14.556 9.906 1.00 48.52 C +ATOM 105 N GLN A 110 -3.273 16.640 9.784 1.00 47.96 N +ATOM 106 CA GLN A 110 -4.526 16.692 10.501 1.00 48.09 C +ATOM 107 C GLN A 110 -5.379 17.804 9.872 1.00 45.57 C +ATOM 108 O GLN A 110 -4.841 18.809 9.384 1.00 45.14 O +ATOM 109 CB GLN A 110 -4.190 16.990 11.959 1.00 48.26 C +ATOM 110 CG GLN A 110 -5.254 16.758 12.982 1.00 50.46 C +ATOM 111 CD GLN A 110 -4.650 16.772 14.393 1.00 50.66 C +ATOM 112 OE1 GLN A 110 -4.863 17.702 15.194 1.00 51.34 O +ATOM 113 NE2 GLN A 110 -3.855 15.735 14.687 1.00 56.13 N +ATOM 114 N THR A 111 -6.686 17.589 9.812 1.00 43.95 N +ATOM 115 CA THR A 111 -7.628 18.631 9.363 1.00 42.56 C +ATOM 116 C THR A 111 -8.216 19.310 10.597 1.00 42.15 C +ATOM 117 O THR A 111 -8.046 18.794 11.715 1.00 42.40 O +ATOM 118 CB THR A 111 -8.758 18.050 8.527 1.00 42.12 C +ATOM 119 OG1 THR A 111 -9.517 17.152 9.325 1.00 41.58 O +ATOM 120 CG2 THR A 111 -8.218 17.313 7.340 1.00 42.90 C +ATOM 121 N PHE A 112 -8.876 20.465 10.425 1.00 40.80 N +ATOM 122 CA PHE A 112 -9.532 21.133 11.559 1.00 40.44 C +ATOM 123 C PHE A 112 -10.784 20.403 12.006 1.00 39.49 C +ATOM 124 O PHE A 112 -11.189 20.488 13.170 1.00 39.76 O +ATOM 125 CB PHE A 112 -9.851 22.586 11.240 1.00 40.00 C +ATOM 126 CG PHE A 112 -8.637 23.466 11.209 1.00 41.32 C +ATOM 127 CD1 PHE A 112 -7.945 23.740 12.375 1.00 37.68 C +ATOM 128 CD2 PHE A 112 -8.168 23.998 10.012 1.00 40.10 C +ATOM 129 CE1 PHE A 112 -6.869 24.536 12.348 1.00 37.72 C +ATOM 130 CE2 PHE A 112 -7.078 24.798 9.987 1.00 40.34 C +ATOM 131 CZ PHE A 112 -6.424 25.080 11.161 1.00 40.35 C +ATOM 132 N GLY A 113 -11.371 19.655 11.087 1.00 38.65 N +ATOM 133 CA GLY A 113 -12.528 18.815 11.379 1.00 38.63 C +ATOM 134 C GLY A 113 -13.863 19.537 11.238 1.00 38.33 C +ATOM 135 O GLY A 113 -14.777 19.239 11.968 1.00 39.87 O +ATOM 136 N PHE A 114 -13.991 20.503 10.335 1.00 36.52 N +ATOM 137 CA PHE A 114 -15.326 21.057 10.082 1.00 36.21 C +ATOM 138 C PHE A 114 -15.617 21.228 8.609 1.00 36.01 C +ATOM 139 O PHE A 114 -14.736 21.146 7.797 1.00 36.49 O +ATOM 140 CB PHE A 114 -15.552 22.366 10.815 1.00 35.11 C +ATOM 141 CG PHE A 114 -14.719 23.493 10.324 1.00 35.37 C +ATOM 142 CD1 PHE A 114 -15.271 24.490 9.531 1.00 33.96 C +ATOM 143 CD2 PHE A 114 -13.359 23.575 10.665 1.00 34.98 C +ATOM 144 CE1 PHE A 114 -14.490 25.567 9.107 1.00 32.80 C +ATOM 145 CE2 PHE A 114 -12.611 24.624 10.246 1.00 35.04 C +ATOM 146 CZ PHE A 114 -13.172 25.622 9.461 1.00 34.44 C +ATOM 147 N GLU A 115 -16.876 21.435 8.274 1.00 37.13 N +ATOM 148 CA GLU A 115 -17.272 21.628 6.894 1.00 37.52 C +ATOM 149 C GLU A 115 -18.019 22.919 6.801 1.00 37.28 C +ATOM 150 O GLU A 115 -18.774 23.284 7.736 1.00 38.09 O +ATOM 151 CB GLU A 115 -18.175 20.514 6.410 1.00 37.37 C +ATOM 152 CG GLU A 115 -17.501 19.195 6.408 1.00 41.29 C +ATOM 153 CD GLU A 115 -18.407 18.066 5.975 1.00 45.72 C +ATOM 154 OE1 GLU A 115 -19.308 18.337 5.157 1.00 50.73 O +ATOM 155 OE2 GLU A 115 -18.210 16.915 6.443 1.00 46.30 O +ATOM 156 N ILE A 116 -17.871 23.572 5.651 1.00 36.73 N +ATOM 157 CA ILE A 116 -18.607 24.812 5.380 1.00 36.61 C +ATOM 158 C ILE A 116 -19.397 24.796 4.091 1.00 35.75 C +ATOM 159 O ILE A 116 -19.067 24.072 3.150 1.00 35.29 O +ATOM 160 CB ILE A 116 -17.656 26.049 5.361 1.00 35.76 C +ATOM 161 CG1 ILE A 116 -16.569 25.908 4.293 1.00 37.60 C +ATOM 162 CG2 ILE A 116 -17.002 26.223 6.728 1.00 35.94 C +ATOM 163 CD1 ILE A 116 -15.708 27.244 4.045 1.00 35.83 C +ATOM 164 N GLN A 117 -20.414 25.654 4.063 1.00 35.09 N +ATOM 165 CA GLN A 117 -21.197 25.945 2.877 1.00 34.56 C +ATOM 166 C GLN A 117 -21.350 27.449 2.796 1.00 34.21 C +ATOM 167 O GLN A 117 -21.232 28.141 3.798 1.00 34.50 O +ATOM 168 CB GLN A 117 -22.563 25.295 2.955 1.00 34.17 C +ATOM 169 CG GLN A 117 -22.544 23.777 2.823 1.00 34.46 C +ATOM 170 CD GLN A 117 -23.871 23.162 3.204 1.00 34.81 C +ATOM 171 OE1 GLN A 117 -24.893 23.861 3.362 1.00 36.72 O +ATOM 172 NE2 GLN A 117 -23.863 21.878 3.413 1.00 37.12 N +ATOM 173 N THR A 118 -21.587 27.955 1.597 1.00 34.76 N +ATOM 174 CA THR A 118 -21.719 29.396 1.363 1.00 34.96 C +ATOM 175 C THR A 118 -23.055 29.641 0.725 1.00 35.53 C +ATOM 176 O THR A 118 -23.336 29.108 -0.331 1.00 35.46 O +ATOM 177 CB THR A 118 -20.609 29.922 0.452 1.00 35.24 C +ATOM 178 OG1 THR A 118 -19.365 29.655 1.085 1.00 34.41 O +ATOM 179 CG2 THR A 118 -20.765 31.444 0.127 1.00 34.43 C +ATOM 180 N TYR A 119 -23.880 30.436 1.379 1.00 36.79 N +ATOM 181 CA TYR A 119 -25.222 30.742 0.898 1.00 38.09 C +ATOM 182 C TYR A 119 -25.280 32.130 0.227 1.00 39.52 C +ATOM 183 O TYR A 119 -24.838 33.106 0.805 1.00 39.48 O +ATOM 184 CB TYR A 119 -26.180 30.725 2.103 1.00 38.32 C +ATOM 185 CG TYR A 119 -27.635 30.510 1.754 1.00 37.84 C +ATOM 186 CD1 TYR A 119 -28.275 29.304 2.065 1.00 39.82 C +ATOM 187 CD2 TYR A 119 -28.370 31.473 1.094 1.00 40.41 C +ATOM 188 CE1 TYR A 119 -29.624 29.090 1.757 1.00 38.30 C +ATOM 189 CE2 TYR A 119 -29.738 31.261 0.766 1.00 39.81 C +ATOM 190 CZ TYR A 119 -30.351 30.061 1.105 1.00 38.86 C +ATOM 191 OH TYR A 119 -31.692 29.816 0.784 1.00 39.32 O +ATOM 192 N GLY A 120 -25.832 32.211 -0.985 1.00 41.77 N +ATOM 193 CA GLY A 120 -26.065 33.479 -1.678 1.00 43.10 C +ATOM 194 C GLY A 120 -27.357 34.099 -1.196 1.00 45.52 C +ATOM 195 O GLY A 120 -28.403 33.867 -1.763 1.00 45.04 O +ATOM 196 N LEU A 121 -27.279 34.862 -0.112 1.00 48.99 N +ATOM 197 CA LEU A 121 -28.456 35.499 0.466 1.00 51.76 C +ATOM 198 C LEU A 121 -28.979 36.635 -0.397 1.00 53.73 C +ATOM 199 O LEU A 121 -28.252 37.201 -1.200 1.00 54.77 O +ATOM 200 CB LEU A 121 -28.155 36.064 1.850 1.00 51.88 C +ATOM 201 CG LEU A 121 -28.231 35.162 3.070 1.00 53.29 C +ATOM 202 CD1 LEU A 121 -28.216 36.074 4.305 1.00 54.85 C +ATOM 203 CD2 LEU A 121 -29.449 34.213 3.092 1.00 53.60 C +ATOM 204 N HIS A 122 -30.252 36.969 -0.195 1.00 56.46 N +ATOM 205 CA HIS A 122 -30.936 38.051 -0.914 1.00 58.13 C +ATOM 206 C HIS A 122 -31.493 39.088 0.076 1.00 58.64 C +ATOM 207 O HIS A 122 -31.865 40.202 -0.325 1.00 59.75 O +ATOM 208 CB HIS A 122 -32.068 37.496 -1.793 1.00 58.86 C +ATOM 209 CG HIS A 122 -31.585 36.763 -3.009 1.00 61.52 C +ATOM 210 ND1 HIS A 122 -31.121 37.418 -4.131 1.00 65.25 N +ATOM 211 CD2 HIS A 122 -31.501 35.438 -3.289 1.00 63.75 C +ATOM 212 CE1 HIS A 122 -30.770 36.528 -5.047 1.00 65.23 C +ATOM 213 NE2 HIS A 122 -30.993 35.318 -4.561 1.00 64.00 N +ATOM 214 N VAL A 129 -26.837 39.479 -4.303 1.00 56.66 N +ATOM 215 CA VAL A 129 -26.429 38.286 -3.549 1.00 56.16 C +ATOM 216 C VAL A 129 -25.297 38.630 -2.581 1.00 55.19 C +ATOM 217 O VAL A 129 -24.220 39.072 -3.011 1.00 56.33 O +ATOM 218 CB VAL A 129 -25.911 37.136 -4.474 1.00 56.43 C +ATOM 219 N GLU A 130 -25.548 38.454 -1.286 1.00 52.83 N +ATOM 220 CA GLU A 130 -24.479 38.441 -0.303 1.00 51.29 C +ATOM 221 C GLU A 130 -24.129 37.005 0.099 1.00 48.01 C +ATOM 222 O GLU A 130 -24.933 36.327 0.736 1.00 47.88 O +ATOM 223 CB GLU A 130 -24.870 39.228 0.943 1.00 51.62 C +ATOM 224 CG GLU A 130 -23.662 39.413 1.872 1.00 55.37 C +ATOM 225 CD GLU A 130 -24.020 39.871 3.258 1.00 60.90 C +ATOM 226 OE1 GLU A 130 -25.173 40.331 3.470 1.00 66.12 O +ATOM 227 OE2 GLU A 130 -23.128 39.766 4.144 1.00 65.94 O +ATOM 228 N MET A 131 -22.935 36.571 -0.264 1.00 45.28 N +ATOM 229 CA MET A 131 -22.408 35.312 0.184 1.00 44.29 C +ATOM 230 C MET A 131 -22.185 35.337 1.711 1.00 42.55 C +ATOM 231 O MET A 131 -21.412 36.162 2.216 1.00 43.11 O +ATOM 232 CB MET A 131 -21.058 35.021 -0.467 1.00 44.26 C +ATOM 233 CG MET A 131 -20.984 34.941 -1.977 1.00 46.16 C +ATOM 234 SD MET A 131 -22.362 34.155 -2.788 1.00 50.60 S +ATOM 235 CE MET A 131 -22.133 32.425 -2.576 1.00 49.12 C +ATOM 236 N VAL A 132 -22.847 34.430 2.416 1.00 39.63 N +ATOM 237 CA VAL A 132 -22.560 34.138 3.809 1.00 37.58 C +ATOM 238 C VAL A 132 -22.101 32.690 3.935 1.00 37.35 C +ATOM 239 O VAL A 132 -22.774 31.766 3.513 1.00 36.93 O +ATOM 240 CB VAL A 132 -23.825 34.374 4.669 1.00 38.15 C +ATOM 241 CG1 VAL A 132 -23.578 34.033 6.175 1.00 35.17 C +ATOM 242 CG2 VAL A 132 -24.318 35.829 4.461 1.00 36.39 C +ATOM 243 N THR A 133 -20.958 32.500 4.556 1.00 36.53 N +ATOM 244 CA THR A 133 -20.394 31.208 4.754 1.00 36.70 C +ATOM 245 C THR A 133 -20.620 30.796 6.192 1.00 36.59 C +ATOM 246 O THR A 133 -20.343 31.569 7.109 1.00 38.01 O +ATOM 247 CB THR A 133 -18.902 31.233 4.445 1.00 36.51 C +ATOM 248 OG1 THR A 133 -18.743 31.409 3.041 1.00 35.90 O +ATOM 249 CG2 THR A 133 -18.270 29.940 4.874 1.00 36.51 C +ATOM 250 N PHE A 134 -21.118 29.585 6.390 1.00 35.88 N +ATOM 251 CA PHE A 134 -21.430 29.072 7.723 1.00 35.19 C +ATOM 252 C PHE A 134 -20.958 27.615 7.856 1.00 35.26 C +ATOM 253 O PHE A 134 -20.698 26.951 6.853 1.00 34.71 O +ATOM 254 CB PHE A 134 -22.919 29.144 7.965 1.00 34.72 C +ATOM 255 CG PHE A 134 -23.747 28.342 6.966 1.00 33.88 C +ATOM 256 CD1 PHE A 134 -23.987 28.822 5.686 1.00 35.73 C +ATOM 257 CD2 PHE A 134 -24.233 27.110 7.295 1.00 36.41 C +ATOM 258 CE1 PHE A 134 -24.666 28.082 4.781 1.00 35.73 C +ATOM 259 CE2 PHE A 134 -24.955 26.394 6.407 1.00 36.71 C +ATOM 260 CZ PHE A 134 -25.178 26.897 5.137 1.00 35.41 C +ATOM 261 N VAL A 135 -20.877 27.134 9.090 1.00 34.77 N +ATOM 262 CA VAL A 135 -20.451 25.799 9.385 1.00 34.98 C +ATOM 263 C VAL A 135 -21.648 24.841 9.248 1.00 36.71 C +ATOM 264 O VAL A 135 -22.659 24.997 9.923 1.00 36.33 O +ATOM 265 CB VAL A 135 -19.839 25.716 10.824 1.00 35.03 C +ATOM 266 CG1 VAL A 135 -19.363 24.274 11.157 1.00 33.03 C +ATOM 267 CG2 VAL A 135 -18.690 26.779 11.028 1.00 32.94 C +ATOM 268 N CYS A 136 -21.523 23.822 8.397 1.00 38.40 N +ATOM 269 CA CYS A 136 -22.599 22.868 8.223 1.00 38.86 C +ATOM 270 C CYS A 136 -22.387 21.597 9.081 1.00 41.12 C +ATOM 271 O CYS A 136 -23.364 20.970 9.465 1.00 41.71 O +ATOM 272 CB CYS A 136 -22.824 22.530 6.751 1.00 38.64 C +ATOM 273 SG CYS A 136 -21.408 21.887 5.835 1.00 37.38 S +ATOM 274 N ARG A 137 -21.127 21.230 9.354 1.00 42.61 N +ATOM 275 CA ARG A 137 -20.784 20.060 10.177 1.00 43.39 C +ATOM 276 C ARG A 137 -19.503 20.299 10.983 1.00 43.52 C +ATOM 277 O ARG A 137 -18.586 20.995 10.527 1.00 41.09 O +ATOM 278 CB ARG A 137 -20.600 18.827 9.303 1.00 44.03 C +ATOM 279 CG ARG A 137 -21.770 18.566 8.308 1.00 45.92 C +ATOM 280 CD ARG A 137 -21.570 17.262 7.519 1.00 46.51 C +ATOM 281 NE ARG A 137 -22.622 16.990 6.526 1.00 49.36 N +ATOM 282 CZ ARG A 137 -22.788 17.631 5.360 1.00 52.32 C +ATOM 283 NH1 ARG A 137 -23.785 17.288 4.540 1.00 50.75 N +ATOM 284 NH2 ARG A 137 -21.997 18.627 5.006 1.00 53.11 N +ATOM 285 N VAL A 138 -19.466 19.748 12.201 1.00 44.03 N +ATOM 286 CA VAL A 138 -18.252 19.718 13.021 1.00 45.21 C +ATOM 287 C VAL A 138 -18.023 18.323 13.602 1.00 46.87 C +ATOM 288 O VAL A 138 -18.854 17.839 14.350 1.00 47.36 O +ATOM 289 CB VAL A 138 -18.349 20.704 14.191 1.00 45.54 C +ATOM 290 CG1 VAL A 138 -17.097 20.599 15.112 1.00 42.62 C +ATOM 291 CG2 VAL A 138 -18.591 22.138 13.683 1.00 43.80 C +ATOM 292 N HIS A 139 -16.901 17.679 13.292 1.00 48.32 N +ATOM 293 CA HIS A 139 -16.696 16.297 13.768 1.00 49.45 C +ATOM 294 C HIS A 139 -16.312 16.308 15.220 1.00 49.19 C +ATOM 295 O HIS A 139 -15.597 17.192 15.665 1.00 49.12 O +ATOM 296 CB HIS A 139 -15.615 15.559 12.996 1.00 50.57 C +ATOM 297 CG HIS A 139 -15.683 15.747 11.510 1.00 54.09 C +ATOM 298 ND1 HIS A 139 -16.755 15.338 10.752 1.00 58.48 N +ATOM 299 CD2 HIS A 139 -14.785 16.268 10.637 1.00 58.19 C +ATOM 300 CE1 HIS A 139 -16.534 15.636 9.479 1.00 60.47 C +ATOM 301 NE2 HIS A 139 -15.337 16.185 9.379 1.00 59.49 N +ATOM 302 N GLU A 140 -16.772 15.307 15.957 1.00 49.50 N +ATOM 303 CA GLU A 140 -16.527 15.241 17.412 1.00 49.66 C +ATOM 304 C GLU A 140 -15.038 15.188 17.815 1.00 48.97 C +ATOM 305 O GLU A 140 -14.218 14.540 17.168 1.00 48.93 O +ATOM 306 CB GLU A 140 -17.264 14.051 18.046 1.00 49.71 C +ATOM 307 CG GLU A 140 -17.233 14.056 19.576 1.00 50.80 C +ATOM 308 N SER A 141 -14.726 15.907 18.893 1.00 48.42 N +ATOM 309 CA SER A 141 -13.394 15.945 19.498 1.00 48.08 C +ATOM 310 C SER A 141 -12.315 16.429 18.507 1.00 46.80 C +ATOM 311 O SER A 141 -11.146 16.172 18.686 1.00 45.78 O +ATOM 312 CB SER A 141 -13.059 14.577 20.147 1.00 48.81 C +ATOM 313 OG SER A 141 -12.566 13.641 19.198 1.00 50.65 O +ATOM 314 N SER A 142 -12.735 17.185 17.488 1.00 45.55 N +ATOM 315 CA SER A 142 -11.808 17.725 16.511 1.00 44.03 C +ATOM 316 C SER A 142 -11.242 19.046 17.028 1.00 43.38 C +ATOM 317 O SER A 142 -11.836 19.691 17.892 1.00 42.27 O +ATOM 318 CB SER A 142 -12.548 17.974 15.223 1.00 43.98 C +ATOM 319 OG SER A 142 -13.473 19.047 15.396 1.00 44.17 O +ATOM 320 N PRO A 143 -10.123 19.495 16.444 1.00 42.78 N +ATOM 321 CA PRO A 143 -9.613 20.835 16.764 1.00 42.46 C +ATOM 322 C PRO A 143 -10.704 21.916 16.746 1.00 41.44 C +ATOM 323 O PRO A 143 -10.700 22.808 17.598 1.00 41.94 O +ATOM 324 CB PRO A 143 -8.565 21.077 15.668 1.00 42.64 C +ATOM 325 CG PRO A 143 -8.094 19.693 15.308 1.00 43.71 C +ATOM 326 CD PRO A 143 -9.305 18.810 15.423 1.00 42.77 C +ATOM 327 N ALA A 144 -11.639 21.792 15.806 1.00 40.66 N +ATOM 328 CA ALA A 144 -12.795 22.687 15.650 1.00 40.22 C +ATOM 329 C ALA A 144 -13.748 22.666 16.864 1.00 39.86 C +ATOM 330 O ALA A 144 -14.106 23.718 17.434 1.00 39.47 O +ATOM 331 CB ALA A 144 -13.568 22.313 14.364 1.00 40.19 C +ATOM 332 N GLN A 145 -14.174 21.465 17.214 1.00 39.59 N +ATOM 333 CA GLN A 145 -15.053 21.243 18.322 1.00 40.90 C +ATOM 334 C GLN A 145 -14.453 21.830 19.627 1.00 39.91 C +ATOM 335 O GLN A 145 -15.106 22.609 20.318 1.00 39.21 O +ATOM 336 CB GLN A 145 -15.320 19.746 18.475 1.00 41.54 C +ATOM 337 CG GLN A 145 -16.224 19.439 19.636 1.00 45.98 C +ATOM 338 CD GLN A 145 -17.070 18.176 19.405 1.00 53.58 C +ATOM 339 OE1 GLN A 145 -16.765 17.101 19.956 1.00 57.12 O +ATOM 340 NE2 GLN A 145 -18.135 18.302 18.578 1.00 54.88 N +ATOM 341 N LEU A 146 -13.212 21.467 19.906 1.00 38.95 N +ATOM 342 CA LEU A 146 -12.495 21.899 21.106 1.00 38.91 C +ATOM 343 C LEU A 146 -12.299 23.412 21.206 1.00 38.39 C +ATOM 344 O LEU A 146 -12.273 23.960 22.292 1.00 38.07 O +ATOM 345 CB LEU A 146 -11.116 21.247 21.134 1.00 38.97 C +ATOM 346 CG LEU A 146 -11.063 19.736 21.304 1.00 39.94 C +ATOM 347 CD1 LEU A 146 -9.580 19.345 21.378 1.00 38.23 C +ATOM 348 CD2 LEU A 146 -11.838 19.279 22.547 1.00 40.94 C +ATOM 349 N ALA A 147 -12.144 24.071 20.066 1.00 37.74 N +ATOM 350 CA ALA A 147 -12.106 25.524 20.021 1.00 38.25 C +ATOM 351 C ALA A 147 -13.505 26.151 20.249 1.00 37.88 C +ATOM 352 O ALA A 147 -13.596 27.342 20.443 1.00 37.71 O +ATOM 353 CB ALA A 147 -11.516 26.003 18.688 1.00 37.67 C +ATOM 354 N GLY A 148 -14.574 25.345 20.203 1.00 37.05 N +ATOM 355 CA GLY A 148 -15.931 25.825 20.394 1.00 36.64 C +ATOM 356 C GLY A 148 -16.790 26.005 19.130 1.00 36.67 C +ATOM 357 O GLY A 148 -17.970 26.393 19.199 1.00 36.77 O +ATOM 358 N LEU A 149 -16.241 25.696 17.972 1.00 36.47 N +ATOM 359 CA LEU A 149 -17.009 25.785 16.729 1.00 36.22 C +ATOM 360 C LEU A 149 -18.222 24.873 16.705 1.00 35.90 C +ATOM 361 O LEU A 149 -18.129 23.716 17.084 1.00 36.37 O +ATOM 362 CB LEU A 149 -16.119 25.460 15.522 1.00 36.16 C +ATOM 363 CG LEU A 149 -16.656 25.971 14.209 1.00 35.88 C +ATOM 364 CD1 LEU A 149 -16.671 27.519 14.241 1.00 35.79 C +ATOM 365 CD2 LEU A 149 -15.779 25.494 13.077 1.00 38.33 C +ATOM 366 N THR A 150 -19.336 25.419 16.220 1.00 36.12 N +ATOM 367 CA THR A 150 -20.633 24.785 16.246 1.00 35.91 C +ATOM 368 C THR A 150 -21.345 24.887 14.863 1.00 36.84 C +ATOM 369 O THR A 150 -21.342 25.967 14.224 1.00 36.95 O +ATOM 370 CB THR A 150 -21.526 25.485 17.305 1.00 36.57 C +ATOM 371 OG1 THR A 150 -20.849 25.537 18.602 1.00 36.53 O +ATOM 372 CG2 THR A 150 -22.891 24.784 17.441 1.00 34.17 C +ATOM 373 N PRO A 151 -22.007 23.805 14.433 1.00 36.34 N +ATOM 374 CA PRO A 151 -22.873 23.845 13.279 1.00 37.36 C +ATOM 375 C PRO A 151 -23.847 25.033 13.352 1.00 37.16 C +ATOM 376 O PRO A 151 -24.408 25.355 14.413 1.00 37.15 O +ATOM 377 CB PRO A 151 -23.670 22.542 13.390 1.00 37.23 C +ATOM 378 CG PRO A 151 -22.794 21.650 14.131 1.00 38.40 C +ATOM 379 CD PRO A 151 -22.079 22.493 15.112 1.00 37.51 C +ATOM 380 N GLY A 152 -24.027 25.697 12.235 1.00 37.45 N +ATOM 381 CA GLY A 152 -24.845 26.887 12.196 1.00 37.37 C +ATOM 382 C GLY A 152 -24.086 28.168 12.472 1.00 37.63 C +ATOM 383 O GLY A 152 -24.646 29.246 12.308 1.00 38.64 O +ATOM 384 N ASP A 153 -22.841 28.089 12.916 1.00 37.63 N +ATOM 385 CA ASP A 153 -22.072 29.300 13.124 1.00 38.36 C +ATOM 386 C ASP A 153 -21.785 29.945 11.735 1.00 38.87 C +ATOM 387 O ASP A 153 -21.309 29.272 10.824 1.00 38.70 O +ATOM 388 CB ASP A 153 -20.719 28.993 13.800 1.00 38.60 C +ATOM 389 CG ASP A 153 -20.825 28.700 15.318 1.00 38.69 C +ATOM 390 OD1 ASP A 153 -21.889 28.869 15.943 1.00 37.85 O +ATOM 391 OD2 ASP A 153 -19.788 28.305 15.884 1.00 36.84 O +ATOM 392 N THR A 154 -22.050 31.228 11.586 1.00 38.39 N +ATOM 393 CA THR A 154 -21.557 31.962 10.429 1.00 37.98 C +ATOM 394 C THR A 154 -20.129 32.312 10.712 1.00 37.88 C +ATOM 395 O THR A 154 -19.813 32.713 11.829 1.00 36.09 O +ATOM 396 CB THR A 154 -22.353 33.286 10.224 1.00 38.52 C +ATOM 397 OG1 THR A 154 -23.700 32.963 9.931 1.00 36.55 O +ATOM 398 CG2 THR A 154 -21.735 34.208 9.158 1.00 34.08 C +ATOM 399 N ILE A 155 -19.261 32.159 9.704 1.00 37.87 N +ATOM 400 CA ILE A 155 -17.894 32.666 9.797 1.00 37.63 C +ATOM 401 C ILE A 155 -17.849 34.023 9.161 1.00 37.20 C +ATOM 402 O ILE A 155 -17.993 34.155 7.949 1.00 38.43 O +ATOM 403 CB ILE A 155 -16.898 31.726 9.104 1.00 37.90 C +ATOM 404 CG1 ILE A 155 -16.993 30.315 9.723 1.00 38.62 C +ATOM 405 CG2 ILE A 155 -15.514 32.345 9.123 1.00 36.86 C +ATOM 406 CD1 ILE A 155 -16.107 29.197 9.038 1.00 39.69 C +ATOM 407 N ALA A 156 -17.616 35.048 9.964 1.00 37.04 N +ATOM 408 CA ALA A 156 -17.631 36.430 9.500 1.00 37.36 C +ATOM 409 C ALA A 156 -16.220 36.950 9.143 1.00 37.88 C +ATOM 410 O ALA A 156 -16.048 37.802 8.257 1.00 37.57 O +ATOM 411 CB ALA A 156 -18.300 37.308 10.570 1.00 36.29 C +ATOM 412 N SER A 157 -15.220 36.444 9.846 1.00 39.24 N +ATOM 413 CA SER A 157 -13.834 36.831 9.632 1.00 40.38 C +ATOM 414 C SER A 157 -12.929 35.647 9.782 1.00 40.19 C +ATOM 415 O SER A 157 -13.193 34.785 10.577 1.00 39.50 O +ATOM 416 CB SER A 157 -13.336 37.868 10.661 1.00 41.19 C +ATOM 417 OG SER A 157 -14.115 39.040 10.674 1.00 46.42 O +ATOM 418 N VAL A 158 -11.815 35.683 9.055 1.00 41.50 N +ATOM 419 CA VAL A 158 -10.706 34.720 9.204 1.00 42.74 C +ATOM 420 C VAL A 158 -9.405 35.550 9.300 1.00 43.24 C +ATOM 421 O VAL A 158 -9.053 36.283 8.362 1.00 43.87 O +ATOM 422 CB VAL A 158 -10.594 33.691 7.994 1.00 42.62 C +ATOM 423 CG1 VAL A 158 -9.426 32.670 8.246 1.00 41.78 C +ATOM 424 CG2 VAL A 158 -11.916 32.951 7.742 1.00 39.83 C +ATOM 425 N ASN A 159 -8.741 35.446 10.444 1.00 44.21 N +ATOM 426 CA ASN A 159 -7.575 36.244 10.798 1.00 44.61 C +ATOM 427 C ASN A 159 -7.763 37.739 10.492 1.00 45.27 C +ATOM 428 O ASN A 159 -6.909 38.372 9.857 1.00 45.83 O +ATOM 429 CB ASN A 159 -6.330 35.718 10.072 1.00 44.90 C +ATOM 430 CG ASN A 159 -6.071 34.224 10.313 1.00 46.14 C +ATOM 431 OD1 ASN A 159 -6.666 33.596 11.195 1.00 44.53 O +ATOM 432 ND2 ASN A 159 -5.160 33.657 9.516 1.00 48.93 N +ATOM 433 N GLY A 160 -8.883 38.300 10.923 1.00 45.59 N +ATOM 434 CA GLY A 160 -9.169 39.701 10.670 1.00 45.72 C +ATOM 435 C GLY A 160 -9.416 40.034 9.207 1.00 46.57 C +ATOM 436 O GLY A 160 -9.407 41.214 8.840 1.00 47.83 O +ATOM 437 N LEU A 161 -9.618 39.037 8.345 1.00 45.84 N +ATOM 438 CA LEU A 161 -10.140 39.353 7.021 1.00 46.45 C +ATOM 439 C LEU A 161 -11.644 39.178 7.125 1.00 46.13 C +ATOM 440 O LEU A 161 -12.113 38.147 7.594 1.00 45.79 O +ATOM 441 CB LEU A 161 -9.585 38.462 5.902 1.00 46.12 C +ATOM 442 CG LEU A 161 -8.068 38.449 5.712 1.00 48.44 C +ATOM 443 CD1 LEU A 161 -7.641 37.157 4.966 1.00 50.51 C +ATOM 444 CD2 LEU A 161 -7.596 39.672 4.950 1.00 48.84 C +ATOM 445 N ASN A 162 -12.374 40.192 6.680 1.00 45.57 N +ATOM 446 CA ASN A 162 -13.793 40.116 6.562 1.00 45.46 C +ATOM 447 C ASN A 162 -14.129 39.157 5.450 1.00 44.73 C +ATOM 448 O ASN A 162 -13.896 39.474 4.308 1.00 45.34 O +ATOM 449 CB ASN A 162 -14.367 41.509 6.261 1.00 45.77 C +ATOM 450 CG ASN A 162 -15.859 41.486 6.010 1.00 46.52 C +ATOM 451 OD1 ASN A 162 -16.546 40.559 6.405 1.00 46.78 O +ATOM 452 ND2 ASN A 162 -16.370 42.518 5.338 1.00 50.38 N +ATOM 453 N VAL A 163 -14.727 38.009 5.770 1.00 43.36 N +ATOM 454 CA VAL A 163 -15.051 37.021 4.737 1.00 42.64 C +ATOM 455 C VAL A 163 -16.517 37.066 4.309 1.00 43.55 C +ATOM 456 O VAL A 163 -16.955 36.284 3.463 1.00 44.12 O +ATOM 457 CB VAL A 163 -14.604 35.558 5.135 1.00 41.50 C +ATOM 458 CG1 VAL A 163 -13.090 35.494 5.149 1.00 41.31 C +ATOM 459 CG2 VAL A 163 -15.129 35.130 6.456 1.00 39.80 C +ATOM 460 N GLU A 164 -17.282 37.990 4.863 1.00 43.75 N +ATOM 461 CA GLU A 164 -18.645 38.196 4.358 1.00 44.25 C +ATOM 462 C GLU A 164 -18.544 38.711 2.946 1.00 43.58 C +ATOM 463 O GLU A 164 -17.713 39.584 2.662 1.00 42.34 O +ATOM 464 CB GLU A 164 -19.418 39.199 5.208 1.00 44.69 C +ATOM 465 CG GLU A 164 -19.550 38.769 6.651 1.00 47.10 C +ATOM 466 CD GLU A 164 -20.733 39.436 7.356 1.00 50.48 C +ATOM 467 OE1 GLU A 164 -21.238 40.453 6.827 1.00 54.75 O +ATOM 468 OE2 GLU A 164 -21.153 38.953 8.432 1.00 49.23 O +ATOM 469 N GLY A 165 -19.366 38.150 2.057 1.00 43.22 N +ATOM 470 CA GLY A 165 -19.377 38.555 0.659 1.00 42.89 C +ATOM 471 C GLY A 165 -18.370 37.805 -0.177 1.00 43.33 C +ATOM 472 O GLY A 165 -18.381 37.926 -1.391 1.00 43.91 O +ATOM 473 N ILE A 166 -17.490 37.021 0.455 1.00 43.58 N +ATOM 474 CA ILE A 166 -16.486 36.247 -0.289 1.00 43.19 C +ATOM 475 C ILE A 166 -17.066 34.922 -0.796 1.00 42.91 C +ATOM 476 O ILE A 166 -17.924 34.297 -0.141 1.00 40.73 O +ATOM 477 CB ILE A 166 -15.206 36.023 0.556 1.00 44.03 C +ATOM 478 CG1 ILE A 166 -14.440 37.343 0.713 1.00 43.43 C +ATOM 479 CG2 ILE A 166 -14.231 35.016 -0.080 1.00 44.75 C +ATOM 480 CD1 ILE A 166 -13.126 37.126 1.480 1.00 44.46 C +ATOM 481 N ARG A 167 -16.610 34.523 -1.985 1.00 42.20 N +ATOM 482 CA ARG A 167 -17.102 33.294 -2.615 1.00 42.20 C +ATOM 483 C ARG A 167 -16.498 32.075 -1.975 1.00 40.62 C +ATOM 484 O ARG A 167 -15.427 32.150 -1.345 1.00 40.78 O +ATOM 485 CB ARG A 167 -16.821 33.281 -4.126 1.00 42.44 C +ATOM 486 CG ARG A 167 -15.370 32.966 -4.502 1.00 44.67 C +ATOM 487 N HIS A 168 -17.186 30.962 -2.176 1.00 40.28 N +ATOM 488 CA HIS A 168 -16.916 29.734 -1.462 1.00 40.58 C +ATOM 489 C HIS A 168 -15.492 29.262 -1.682 1.00 40.78 C +ATOM 490 O HIS A 168 -14.792 28.938 -0.739 1.00 40.31 O +ATOM 491 CB HIS A 168 -17.898 28.663 -1.890 1.00 41.11 C +ATOM 492 CG HIS A 168 -17.744 27.380 -1.145 1.00 39.94 C +ATOM 493 ND1 HIS A 168 -18.163 27.231 0.154 1.00 41.47 N +ATOM 494 CD2 HIS A 168 -17.187 26.202 -1.503 1.00 41.49 C +ATOM 495 CE1 HIS A 168 -17.902 25.998 0.554 1.00 44.08 C +ATOM 496 NE2 HIS A 168 -17.291 25.356 -0.424 1.00 41.39 N +ATOM 497 N ARG A 169 -15.038 29.274 -2.932 1.00 41.83 N +ATOM 498 CA ARG A 169 -13.680 28.784 -3.223 1.00 41.69 C +ATOM 499 C ARG A 169 -12.608 29.615 -2.525 1.00 41.33 C +ATOM 500 O ARG A 169 -11.632 29.059 -2.040 1.00 41.67 O +ATOM 501 CB ARG A 169 -13.426 28.704 -4.749 1.00 42.41 C +ATOM 502 N GLU A 170 -12.780 30.932 -2.473 1.00 41.42 N +ATOM 503 CA GLU A 170 -11.809 31.803 -1.842 1.00 42.31 C +ATOM 504 C GLU A 170 -11.711 31.570 -0.349 1.00 42.72 C +ATOM 505 O GLU A 170 -10.593 31.630 0.209 1.00 43.23 O +ATOM 506 CB GLU A 170 -12.142 33.288 -2.065 1.00 42.48 C +ATOM 507 CG GLU A 170 -12.138 33.689 -3.504 1.00 44.62 C +ATOM 508 CD GLU A 170 -12.145 35.197 -3.768 1.00 44.26 C +ATOM 509 OE1 GLU A 170 -12.242 35.537 -4.955 1.00 49.69 O +ATOM 510 OE2 GLU A 170 -12.025 36.014 -2.837 1.00 46.84 O +ATOM 511 N ILE A 171 -12.857 31.375 0.320 1.00 42.77 N +ATOM 512 CA ILE A 171 -12.837 31.142 1.777 1.00 43.18 C +ATOM 513 C ILE A 171 -12.198 29.798 2.098 1.00 41.37 C +ATOM 514 O ILE A 171 -11.482 29.690 3.084 1.00 40.59 O +ATOM 515 CB ILE A 171 -14.221 31.230 2.464 1.00 44.35 C +ATOM 516 CG1 ILE A 171 -14.911 32.505 2.047 1.00 46.96 C +ATOM 517 CG2 ILE A 171 -14.071 31.351 4.013 1.00 43.05 C +ATOM 518 CD1 ILE A 171 -16.099 32.927 2.961 1.00 46.64 C +ATOM 519 N VAL A 172 -12.401 28.806 1.234 1.00 40.99 N +ATOM 520 CA VAL A 172 -11.732 27.525 1.398 1.00 40.68 C +ATOM 521 C VAL A 172 -10.210 27.686 1.277 1.00 40.68 C +ATOM 522 O VAL A 172 -9.470 27.165 2.101 1.00 40.45 O +ATOM 523 CB VAL A 172 -12.284 26.432 0.453 1.00 41.33 C +ATOM 524 CG1 VAL A 172 -11.398 25.174 0.501 1.00 38.08 C +ATOM 525 CG2 VAL A 172 -13.737 26.059 0.846 1.00 40.19 C +ATOM 526 N ASP A 173 -9.776 28.435 0.274 1.00 41.01 N +ATOM 527 CA ASP A 173 -8.356 28.729 0.040 1.00 41.20 C +ATOM 528 C ASP A 173 -7.768 29.562 1.182 1.00 41.24 C +ATOM 529 O ASP A 173 -6.674 29.289 1.682 1.00 40.52 O +ATOM 530 CB ASP A 173 -8.194 29.527 -1.237 1.00 41.27 C +ATOM 531 CG ASP A 173 -8.484 28.717 -2.494 1.00 43.18 C +ATOM 532 OD1 ASP A 173 -8.648 27.472 -2.445 1.00 46.20 O +ATOM 533 OD2 ASP A 173 -8.579 29.339 -3.572 1.00 46.84 O +ATOM 534 N ILE A 174 -8.520 30.565 1.618 1.00 40.65 N +ATOM 535 CA ILE A 174 -8.114 31.315 2.774 1.00 40.48 C +ATOM 536 C ILE A 174 -7.860 30.426 3.982 1.00 39.91 C +ATOM 537 O ILE A 174 -6.838 30.550 4.635 1.00 41.10 O +ATOM 538 CB ILE A 174 -9.121 32.384 3.137 1.00 39.47 C +ATOM 539 CG1 ILE A 174 -8.995 33.543 2.188 1.00 40.42 C +ATOM 540 CG2 ILE A 174 -8.875 32.854 4.538 1.00 38.76 C +ATOM 541 CD1 ILE A 174 -10.149 34.524 2.303 1.00 39.84 C +ATOM 542 N ILE A 175 -8.767 29.507 4.268 1.00 40.04 N +ATOM 543 CA ILE A 175 -8.637 28.687 5.477 1.00 39.74 C +ATOM 544 C ILE A 175 -7.457 27.752 5.327 1.00 40.32 C +ATOM 545 O ILE A 175 -6.702 27.544 6.280 1.00 37.97 O +ATOM 546 CB ILE A 175 -9.955 27.946 5.821 1.00 39.27 C +ATOM 547 CG1 ILE A 175 -11.046 28.953 6.191 1.00 38.60 C +ATOM 548 CG2 ILE A 175 -9.783 26.977 6.984 1.00 39.00 C +ATOM 549 CD1 ILE A 175 -12.437 28.381 6.209 1.00 40.69 C +ATOM 550 N LYS A 176 -7.311 27.185 4.127 1.00 41.44 N +ATOM 551 CA LYS A 176 -6.205 26.283 3.832 1.00 43.54 C +ATOM 552 C LYS A 176 -4.855 26.995 3.894 1.00 43.41 C +ATOM 553 O LYS A 176 -3.882 26.391 4.292 1.00 45.08 O +ATOM 554 CB LYS A 176 -6.404 25.577 2.473 1.00 43.99 C +ATOM 555 CG LYS A 176 -7.542 24.570 2.545 1.00 45.60 C +ATOM 556 CD LYS A 176 -7.722 23.686 1.280 1.00 45.76 C +ATOM 557 CE LYS A 176 -8.645 22.475 1.615 1.00 47.09 C +ATOM 558 NZ LYS A 176 -8.677 21.366 0.562 1.00 50.55 N +ATOM 559 N ALA A 177 -4.824 28.284 3.555 1.00 43.25 N +ATOM 560 CA ALA A 177 -3.611 29.103 3.587 1.00 42.75 C +ATOM 561 C ALA A 177 -3.202 29.454 5.020 1.00 42.69 C +ATOM 562 O ALA A 177 -2.085 29.901 5.270 1.00 40.76 O +ATOM 563 CB ALA A 177 -3.826 30.388 2.765 1.00 42.44 C +ATOM 564 N SER A 178 -4.119 29.232 5.962 1.00 43.23 N +ATOM 565 CA SER A 178 -3.930 29.608 7.355 1.00 43.21 C +ATOM 566 C SER A 178 -2.982 28.671 8.100 1.00 42.98 C +ATOM 567 O SER A 178 -2.579 28.948 9.238 1.00 42.59 O +ATOM 568 CB SER A 178 -5.286 29.630 8.070 1.00 44.02 C +ATOM 569 OG SER A 178 -5.235 30.442 9.245 1.00 46.93 O +ATOM 570 N GLY A 179 -2.637 27.546 7.487 1.00 42.45 N +ATOM 571 CA GLY A 179 -1.848 26.549 8.191 1.00 42.63 C +ATOM 572 C GLY A 179 -2.554 25.944 9.392 1.00 42.74 C +ATOM 573 O GLY A 179 -3.730 25.616 9.337 1.00 43.73 O +ATOM 574 N ASN A 180 -1.834 25.818 10.496 1.00 43.21 N +ATOM 575 CA ASN A 180 -2.274 25.024 11.644 1.00 43.01 C +ATOM 576 C ASN A 180 -2.984 25.803 12.730 1.00 43.08 C +ATOM 577 O ASN A 180 -3.493 25.205 13.684 1.00 41.28 O +ATOM 578 CB ASN A 180 -1.054 24.341 12.284 1.00 43.48 C +ATOM 579 CG ASN A 180 -0.494 23.196 11.433 1.00 43.09 C +ATOM 580 OD1 ASN A 180 -1.203 22.563 10.655 1.00 40.45 O +ATOM 581 ND2 ASN A 180 0.800 22.932 11.599 1.00 44.53 N +ATOM 582 N VAL A 181 -2.993 27.130 12.580 1.00 44.25 N +ATOM 583 CA VAL A 181 -3.610 28.078 13.538 1.00 44.88 C +ATOM 584 C VAL A 181 -4.614 28.883 12.745 1.00 44.35 C +ATOM 585 O VAL A 181 -4.268 29.451 11.711 1.00 45.63 O +ATOM 586 CB VAL A 181 -2.550 29.055 14.186 1.00 44.89 C +ATOM 587 CG1 VAL A 181 -2.186 30.157 13.211 1.00 47.80 C +ATOM 588 CG2 VAL A 181 -3.073 29.692 15.502 1.00 45.21 C +ATOM 589 N LEU A 182 -5.850 28.904 13.208 1.00 43.31 N +ATOM 590 CA LEU A 182 -6.919 29.557 12.501 1.00 43.23 C +ATOM 591 C LEU A 182 -7.810 30.357 13.474 1.00 42.84 C +ATOM 592 O LEU A 182 -8.309 29.821 14.453 1.00 42.35 O +ATOM 593 CB LEU A 182 -7.728 28.519 11.731 1.00 43.34 C +ATOM 594 CG LEU A 182 -8.856 29.003 10.827 1.00 44.12 C +ATOM 595 CD1 LEU A 182 -8.357 29.579 9.463 1.00 44.06 C +ATOM 596 CD2 LEU A 182 -9.816 27.855 10.597 1.00 42.96 C +ATOM 597 N ARG A 183 -7.988 31.643 13.185 1.00 42.65 N +ATOM 598 CA ARG A 183 -8.794 32.520 14.025 1.00 43.25 C +ATOM 599 C ARG A 183 -10.083 32.893 13.284 1.00 42.42 C +ATOM 600 O ARG A 183 -10.017 33.553 12.233 1.00 43.69 O +ATOM 601 CB ARG A 183 -7.989 33.775 14.382 1.00 43.11 C +ATOM 602 CG ARG A 183 -8.425 34.417 15.721 1.00 46.09 C +ATOM 603 CD ARG A 183 -8.099 35.900 15.785 1.00 48.17 C +ATOM 604 NE ARG A 183 -6.849 36.136 15.109 1.00 52.34 N +ATOM 605 CZ ARG A 183 -6.525 37.228 14.446 1.00 52.65 C +ATOM 606 NH1 ARG A 183 -7.352 38.246 14.363 1.00 55.58 N +ATOM 607 NH2 ARG A 183 -5.342 37.288 13.879 1.00 54.48 N +ATOM 608 N LEU A 184 -11.218 32.470 13.822 1.00 40.82 N +ATOM 609 CA LEU A 184 -12.550 32.669 13.228 1.00 40.72 C +ATOM 610 C LEU A 184 -13.434 33.555 14.089 1.00 40.19 C +ATOM 611 O LEU A 184 -13.665 33.217 15.248 1.00 40.47 O +ATOM 612 CB LEU A 184 -13.258 31.300 13.062 1.00 40.03 C +ATOM 613 CG LEU A 184 -12.532 30.250 12.198 1.00 40.40 C +ATOM 614 CD1 LEU A 184 -13.152 28.849 12.216 1.00 34.45 C +ATOM 615 CD2 LEU A 184 -12.370 30.750 10.769 1.00 39.77 C +ATOM 616 N GLU A 185 -13.896 34.703 13.569 1.00 39.57 N +ATOM 617 CA GLU A 185 -15.017 35.409 14.223 1.00 38.58 C +ATOM 618 C GLU A 185 -16.300 34.703 13.781 1.00 37.78 C +ATOM 619 O GLU A 185 -16.605 34.659 12.599 1.00 37.44 O +ATOM 620 CB GLU A 185 -15.078 36.883 13.880 1.00 38.70 C +ATOM 621 CG GLU A 185 -16.212 37.580 14.544 1.00 40.10 C +ATOM 622 CD GLU A 185 -16.409 39.006 14.062 1.00 44.51 C +ATOM 623 OE1 GLU A 185 -16.105 39.289 12.872 1.00 48.42 O +ATOM 624 OE2 GLU A 185 -16.896 39.841 14.875 1.00 45.24 O +ATOM 625 N THR A 186 -17.008 34.124 14.731 1.00 36.62 N +ATOM 626 CA THR A 186 -18.268 33.475 14.483 1.00 35.90 C +ATOM 627 C THR A 186 -19.426 34.371 14.897 1.00 36.47 C +ATOM 628 O THR A 186 -19.309 35.152 15.852 1.00 36.78 O +ATOM 629 CB THR A 186 -18.374 32.156 15.242 1.00 35.83 C +ATOM 630 OG1 THR A 186 -18.384 32.401 16.673 1.00 36.53 O +ATOM 631 CG2 THR A 186 -17.186 31.206 14.905 1.00 33.89 C +ATOM 632 N LEU A 187 -20.546 34.238 14.175 1.00 36.86 N +ATOM 633 CA LEU A 187 -21.844 34.839 14.532 1.00 37.17 C +ATOM 634 C LEU A 187 -22.841 33.690 14.690 1.00 37.29 C +ATOM 635 O LEU A 187 -22.818 32.733 13.908 1.00 38.09 O +ATOM 636 CB LEU A 187 -22.358 35.801 13.444 1.00 36.42 C +ATOM 637 CG LEU A 187 -21.396 36.745 12.719 1.00 37.18 C +ATOM 638 CD1 LEU A 187 -22.120 37.504 11.561 1.00 33.04 C +ATOM 639 CD2 LEU A 187 -20.784 37.708 13.654 1.00 32.76 C +ATOM 640 N TYR A 188 -23.701 33.780 15.696 1.00 37.59 N +ATOM 641 CA TYR A 188 -24.689 32.727 15.996 1.00 38.20 C +ATOM 642 C TYR A 188 -25.768 33.233 16.915 1.00 37.96 C +ATOM 643 O TYR A 188 -25.651 34.330 17.474 1.00 36.93 O +ATOM 644 CB TYR A 188 -24.031 31.515 16.676 1.00 37.92 C +ATOM 645 CG TYR A 188 -23.285 31.806 17.975 1.00 39.27 C +ATOM 646 CD1 TYR A 188 -21.965 32.217 17.952 1.00 39.26 C +ATOM 647 CD2 TYR A 188 -23.885 31.632 19.221 1.00 37.84 C +ATOM 648 CE1 TYR A 188 -21.265 32.480 19.130 1.00 40.73 C +ATOM 649 CE2 TYR A 188 -23.195 31.892 20.403 1.00 37.82 C +ATOM 650 CZ TYR A 188 -21.874 32.316 20.339 1.00 40.84 C +ATOM 651 OH TYR A 188 -21.127 32.572 21.459 1.00 40.31 O +ATOM 652 N SER A 189 -26.809 32.420 17.069 1.00 37.39 N +ATOM 653 CA SER A 189 -27.789 32.615 18.140 1.00 37.73 C +ATOM 654 C SER A 189 -28.451 31.293 18.400 1.00 37.64 C +ATOM 655 O SER A 189 -28.281 30.364 17.641 1.00 37.45 O +ATOM 656 CB SER A 189 -28.857 33.639 17.745 1.00 37.70 C +ATOM 657 OG SER A 189 -29.480 33.264 16.527 1.00 39.66 O +ATOM 658 N SER A 190 -29.170 31.210 19.501 1.00 37.14 N +ATOM 659 CA SER A 190 -29.963 30.056 19.804 1.00 37.26 C +ATOM 660 C SER A 190 -31.386 30.432 20.045 1.00 36.29 C +ATOM 661 O SER A 190 -31.677 31.464 20.609 1.00 36.49 O +ATOM 662 CB SER A 190 -29.407 29.347 21.027 1.00 36.82 C +ATOM 663 OG SER A 190 -28.157 28.839 20.650 1.00 39.24 O +ATOM 664 N THR A 191 -32.287 29.559 19.645 1.00 35.98 N +ATOM 665 CA THR A 191 -33.694 29.776 19.909 1.00 35.05 C +ATOM 666 C THR A 191 -33.947 29.757 21.417 1.00 34.44 C +ATOM 667 O THR A 191 -34.759 30.530 21.956 1.00 33.93 O +ATOM 668 CB THR A 191 -34.532 28.655 19.226 1.00 35.56 C +ATOM 669 OG1 THR A 191 -34.206 28.633 17.838 1.00 36.40 O +ATOM 670 CG2 THR A 191 -36.016 28.890 19.370 1.00 32.04 C +ATOM 671 N LEU A 192 -33.270 28.844 22.090 1.00 33.59 N +ATOM 672 CA LEU A 192 -33.511 28.617 23.488 1.00 33.53 C +ATOM 673 C LEU A 192 -32.264 28.846 24.298 1.00 33.36 C +ATOM 674 O LEU A 192 -32.450 29.225 25.445 1.00 33.21 O +ATOM 675 CB LEU A 192 -34.054 27.198 23.738 1.00 33.35 C +ATOM 676 CG LEU A 192 -35.284 26.779 22.934 1.00 33.25 C +ATOM 677 CD1 LEU A 192 -35.473 25.267 22.976 1.00 31.11 C +ATOM 678 CD2 LEU A 192 -36.559 27.531 23.372 1.00 29.10 C +ATOM 679 OXT LEU A 192 -31.118 28.697 23.859 1.00 33.50 O Added: SwiftApps/modFTdock/input/indata/2pnt-2.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2pnt-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2pnt-2.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,735 @@ +ATOM 1 N GLN B 98 13.905 36.880 9.517 1.00 60.61 N +ATOM 2 CA GLN B 98 14.098 36.215 8.197 1.00 60.34 C +ATOM 3 C GLN B 98 12.989 36.555 7.162 1.00 59.54 C +ATOM 4 O GLN B 98 13.063 36.169 5.990 1.00 60.33 O +ATOM 5 CB GLN B 98 14.168 34.724 8.391 1.00 60.87 C +ATOM 6 CG GLN B 98 12.891 34.161 8.942 1.00 64.24 C +ATOM 7 CD GLN B 98 12.360 32.983 8.132 1.00 68.49 C +ATOM 8 OE1 GLN B 98 13.123 32.134 7.630 1.00 70.84 O +ATOM 9 NE2 GLN B 98 11.031 32.924 8.006 1.00 71.25 N +ATOM 10 N ARG B 99 11.954 37.264 7.575 1.00 57.59 N +ATOM 11 CA ARG B 99 11.092 37.917 6.592 1.00 56.20 C +ATOM 12 C ARG B 99 11.016 39.345 7.038 1.00 54.49 C +ATOM 13 O ARG B 99 11.142 39.614 8.235 1.00 54.58 O +ATOM 14 CB ARG B 99 9.706 37.282 6.542 1.00 56.04 C +ATOM 15 CG ARG B 99 9.566 36.105 5.570 1.00 57.77 C +ATOM 16 CD ARG B 99 8.290 35.374 5.920 1.00 61.51 C +ATOM 17 NE ARG B 99 8.019 34.169 5.137 1.00 64.01 N +ATOM 18 CZ ARG B 99 6.831 33.545 5.111 1.00 65.43 C +ATOM 19 NH1 ARG B 99 5.790 34.016 5.821 1.00 64.76 N +ATOM 20 NH2 ARG B 99 6.671 32.447 4.364 1.00 64.97 N +ATOM 21 N LYS B 100 10.857 40.261 6.091 1.00 53.11 N +ATOM 22 CA LYS B 100 10.625 41.662 6.420 1.00 52.26 C +ATOM 23 C LYS B 100 9.136 41.822 6.684 1.00 51.88 C +ATOM 24 O LYS B 100 8.305 41.508 5.811 1.00 51.51 O +ATOM 25 CB LYS B 100 11.044 42.562 5.270 1.00 52.70 C +ATOM 26 CG LYS B 100 11.311 44.012 5.662 1.00 52.60 C +ATOM 27 N VAL B 101 8.786 42.267 7.884 1.00 50.39 N +ATOM 28 CA VAL B 101 7.390 42.480 8.203 1.00 50.25 C +ATOM 29 C VAL B 101 7.096 43.914 7.870 1.00 50.46 C +ATOM 30 O VAL B 101 7.805 44.801 8.316 1.00 51.20 O +ATOM 31 CB VAL B 101 7.063 42.247 9.697 1.00 50.30 C +ATOM 32 CG1 VAL B 101 5.602 42.606 9.986 1.00 49.10 C +ATOM 33 CG2 VAL B 101 7.376 40.812 10.101 1.00 49.65 C +ATOM 34 N LEU B 102 6.073 44.140 7.053 1.00 50.73 N +ATOM 35 CA LEU B 102 5.556 45.480 6.813 1.00 50.45 C +ATOM 36 C LEU B 102 4.133 45.467 7.254 1.00 50.41 C +ATOM 37 O LEU B 102 3.411 44.498 7.033 1.00 50.32 O +ATOM 38 CB LEU B 102 5.604 45.856 5.352 1.00 50.00 C +ATOM 39 CG LEU B 102 6.965 45.846 4.696 1.00 49.70 C +ATOM 40 CD1 LEU B 102 6.807 46.250 3.226 1.00 49.22 C +ATOM 41 CD2 LEU B 102 7.899 46.752 5.413 1.00 51.19 C +ATOM 42 N THR B 103 3.717 46.543 7.899 1.00 50.12 N +ATOM 43 CA THR B 103 2.327 46.630 8.298 1.00 49.53 C +ATOM 44 C THR B 103 1.813 47.937 7.724 1.00 49.36 C +ATOM 45 O THR B 103 2.280 49.026 8.078 1.00 49.93 O +ATOM 46 CB THR B 103 2.137 46.332 9.853 1.00 49.53 C +ATOM 47 OG1 THR B 103 1.001 47.033 10.385 1.00 47.59 O +ATOM 48 CG2 THR B 103 3.462 46.576 10.645 1.00 49.37 C +ATOM 49 N LEU B 104 0.943 47.812 6.724 1.00 48.46 N +ATOM 50 CA LEU B 104 0.405 48.985 6.050 1.00 46.99 C +ATOM 51 C LEU B 104 -0.889 49.280 6.714 1.00 46.53 C +ATOM 52 O LEU B 104 -1.627 48.371 7.069 1.00 46.68 O +ATOM 53 CB LEU B 104 0.173 48.791 4.538 1.00 46.41 C +ATOM 54 CG LEU B 104 1.023 47.877 3.654 1.00 45.40 C +ATOM 55 CD1 LEU B 104 0.765 48.203 2.182 1.00 42.37 C +ATOM 56 CD2 LEU B 104 2.529 47.830 3.972 1.00 43.28 C +ATOM 57 N GLU B 105 -1.154 50.571 6.882 1.00 46.79 N +ATOM 58 CA GLU B 105 -2.357 51.052 7.545 1.00 46.79 C +ATOM 59 C GLU B 105 -2.824 52.261 6.824 1.00 45.36 C +ATOM 60 O GLU B 105 -2.025 53.137 6.491 1.00 44.81 O +ATOM 61 CB GLU B 105 -2.088 51.427 9.007 1.00 46.76 C +ATOM 62 CG GLU B 105 -3.314 51.310 9.878 1.00 47.98 C +ATOM 63 CD GLU B 105 -3.161 51.957 11.257 1.00 48.57 C +ATOM 64 OE1 GLU B 105 -2.016 52.085 11.772 1.00 50.12 O +ATOM 65 OE2 GLU B 105 -4.202 52.364 11.813 1.00 49.73 O +ATOM 66 N LYS B 106 -4.121 52.293 6.598 1.00 44.56 N +ATOM 67 CA LYS B 106 -4.760 53.333 5.850 1.00 44.52 C +ATOM 68 C LYS B 106 -6.087 53.716 6.509 1.00 45.11 C +ATOM 69 O LYS B 106 -6.519 53.132 7.512 1.00 44.96 O +ATOM 70 CB LYS B 106 -4.999 52.848 4.422 1.00 44.35 C +ATOM 71 CG LYS B 106 -6.070 51.786 4.275 1.00 42.66 C +ATOM 72 CD LYS B 106 -6.387 51.547 2.822 1.00 41.69 C +ATOM 73 CE LYS B 106 -7.545 50.596 2.663 1.00 41.25 C +ATOM 74 NZ LYS B 106 -8.839 51.187 3.073 1.00 38.61 N +ATOM 75 N GLU B 107 -6.731 54.703 5.919 1.00 45.63 N +ATOM 76 CA GLU B 107 -7.972 55.191 6.421 1.00 46.72 C +ATOM 77 C GLU B 107 -9.057 54.579 5.591 1.00 47.32 C +ATOM 78 O GLU B 107 -8.804 54.073 4.527 1.00 47.42 O +ATOM 79 CB GLU B 107 -8.010 56.739 6.341 1.00 46.54 C +ATOM 80 CG GLU B 107 -6.960 57.417 7.224 1.00 46.16 C +ATOM 81 CD GLU B 107 -7.192 57.180 8.705 1.00 47.45 C +ATOM 82 OE1 GLU B 107 -8.357 56.970 9.122 1.00 48.16 O +ATOM 83 OE2 GLU B 107 -6.215 57.212 9.473 1.00 50.44 O +ATOM 84 N ASP B 108 -10.282 54.680 6.088 1.00 49.13 N +ATOM 85 CA ASP B 108 -11.453 54.072 5.458 1.00 50.04 C +ATOM 86 C ASP B 108 -11.640 54.422 4.002 1.00 50.57 C +ATOM 87 O ASP B 108 -11.995 53.549 3.188 1.00 49.76 O +ATOM 88 CB ASP B 108 -12.722 54.463 6.207 1.00 50.11 C +ATOM 89 CG ASP B 108 -12.978 53.596 7.405 1.00 50.92 C +ATOM 90 OD1 ASP B 108 -12.376 52.519 7.531 1.00 51.54 O +ATOM 91 OD2 ASP B 108 -13.813 53.993 8.232 1.00 55.21 O +ATOM 92 N ASN B 109 -11.412 55.693 3.689 1.00 50.89 N +ATOM 93 CA ASN B 109 -11.683 56.198 2.354 1.00 51.85 C +ATOM 94 C ASN B 109 -10.550 55.916 1.335 1.00 51.16 C +ATOM 95 O ASN B 109 -10.746 56.086 0.126 1.00 51.86 O +ATOM 96 CB ASN B 109 -12.046 57.690 2.415 1.00 52.72 C +ATOM 97 CG ASN B 109 -10.877 58.586 2.884 1.00 56.55 C +ATOM 98 OD1 ASN B 109 -10.360 58.460 4.016 1.00 60.07 O +ATOM 99 ND2 ASN B 109 -10.493 59.533 2.017 1.00 58.92 N +ATOM 100 N GLN B 110 -9.400 55.431 1.807 1.00 49.34 N +ATOM 101 CA GLN B 110 -8.233 55.254 0.943 1.00 48.10 C +ATOM 102 C GLN B 110 -8.098 53.850 0.352 1.00 46.01 C +ATOM 103 O GLN B 110 -8.671 52.887 0.852 1.00 46.31 O +ATOM 104 CB GLN B 110 -6.949 55.512 1.718 1.00 48.85 C +ATOM 105 CG GLN B 110 -6.875 56.776 2.477 1.00 50.48 C +ATOM 106 CD GLN B 110 -5.523 56.921 3.102 1.00 54.21 C +ATOM 107 OE1 GLN B 110 -5.339 56.631 4.281 1.00 56.03 O +ATOM 108 NE2 GLN B 110 -4.544 57.338 2.303 1.00 57.45 N +ATOM 109 N THR B 111 -7.305 53.749 -0.709 1.00 44.05 N +ATOM 110 CA THR B 111 -6.687 52.485 -1.079 1.00 42.36 C +ATOM 111 C THR B 111 -5.323 52.460 -0.407 1.00 40.83 C +ATOM 112 O THR B 111 -4.832 53.494 0.034 1.00 40.01 O +ATOM 113 CB THR B 111 -6.526 52.315 -2.614 1.00 42.64 C +ATOM 114 OG1 THR B 111 -5.846 53.446 -3.159 1.00 44.00 O +ATOM 115 CG2 THR B 111 -7.837 52.173 -3.282 1.00 41.68 C +ATOM 116 N PHE B 112 -4.701 51.290 -0.355 1.00 38.67 N +ATOM 117 CA PHE B 112 -3.314 51.195 0.093 1.00 38.59 C +ATOM 118 C PHE B 112 -2.334 51.814 -0.910 1.00 37.47 C +ATOM 119 O PHE B 112 -1.285 52.271 -0.535 1.00 37.40 O +ATOM 120 CB PHE B 112 -2.932 49.720 0.401 1.00 38.50 C +ATOM 121 CG PHE B 112 -3.605 49.164 1.622 1.00 37.50 C +ATOM 122 CD1 PHE B 112 -3.222 49.571 2.879 1.00 36.84 C +ATOM 123 CD2 PHE B 112 -4.609 48.207 1.506 1.00 37.80 C +ATOM 124 CE1 PHE B 112 -3.845 49.064 4.005 1.00 38.67 C +ATOM 125 CE2 PHE B 112 -5.216 47.672 2.612 1.00 36.98 C +ATOM 126 CZ PHE B 112 -4.861 48.115 3.873 1.00 38.20 C +ATOM 127 N GLY B 113 -2.655 51.747 -2.193 1.00 37.69 N +ATOM 128 CA GLY B 113 -1.859 52.356 -3.238 1.00 37.73 C +ATOM 129 C GLY B 113 -0.892 51.420 -3.939 1.00 38.24 C +ATOM 130 O GLY B 113 0.174 51.828 -4.339 1.00 37.61 O +ATOM 131 N PHE B 114 -1.255 50.151 -4.091 1.00 38.93 N +ATOM 132 CA PHE B 114 -0.406 49.239 -4.839 1.00 39.10 C +ATOM 133 C PHE B 114 -1.126 48.250 -5.750 1.00 39.72 C +ATOM 134 O PHE B 114 -2.384 48.161 -5.781 1.00 39.45 O +ATOM 135 CB PHE B 114 0.617 48.539 -3.930 1.00 38.81 C +ATOM 136 CG PHE B 114 0.038 47.560 -2.991 1.00 37.26 C +ATOM 137 CD1 PHE B 114 0.169 46.200 -3.223 1.00 38.65 C +ATOM 138 CD2 PHE B 114 -0.628 47.974 -1.856 1.00 37.81 C +ATOM 139 CE1 PHE B 114 -0.364 45.282 -2.337 1.00 38.95 C +ATOM 140 CE2 PHE B 114 -1.169 47.062 -0.968 1.00 38.04 C +ATOM 141 CZ PHE B 114 -1.024 45.709 -1.202 1.00 38.38 C +ATOM 142 N GLU B 115 -0.311 47.598 -6.575 1.00 39.24 N +ATOM 143 CA GLU B 115 -0.777 46.579 -7.533 1.00 40.61 C +ATOM 144 C GLU B 115 0.068 45.321 -7.395 1.00 40.16 C +ATOM 145 O GLU B 115 1.250 45.400 -7.085 1.00 38.76 O +ATOM 146 CB GLU B 115 -0.649 47.060 -8.985 1.00 40.87 C +ATOM 147 CG GLU B 115 -1.225 48.415 -9.235 1.00 44.63 C +ATOM 148 CD GLU B 115 -2.724 48.358 -9.309 1.00 49.43 C +ATOM 149 OE1 GLU B 115 -3.271 47.228 -9.466 1.00 48.49 O +ATOM 150 OE2 GLU B 115 -3.359 49.436 -9.213 1.00 53.50 O +ATOM 151 N ILE B 116 -0.555 44.176 -7.630 1.00 40.16 N +ATOM 152 CA ILE B 116 0.153 42.922 -7.616 1.00 40.84 C +ATOM 153 C ILE B 116 -0.049 42.135 -8.909 1.00 42.57 C +ATOM 154 O ILE B 116 -1.074 42.261 -9.609 1.00 39.77 O +ATOM 155 CB ILE B 116 -0.258 42.019 -6.443 1.00 40.03 C +ATOM 156 CG1 ILE B 116 -1.756 41.692 -6.567 1.00 40.92 C +ATOM 157 CG2 ILE B 116 0.110 42.659 -5.069 1.00 39.88 C +ATOM 158 CD1 ILE B 116 -2.261 40.703 -5.588 1.00 41.68 C +ATOM 159 N GLN B 117 0.947 41.287 -9.189 1.00 45.36 N +ATOM 160 CA GLN B 117 0.758 40.173 -10.115 1.00 47.21 C +ATOM 161 C GLN B 117 1.316 38.870 -9.536 1.00 47.41 C +ATOM 162 O GLN B 117 2.100 38.849 -8.603 1.00 46.22 O +ATOM 163 CB GLN B 117 1.317 40.493 -11.495 1.00 48.24 C +ATOM 164 CG GLN B 117 1.011 39.375 -12.559 1.00 52.41 C +ATOM 165 CD GLN B 117 -0.489 39.239 -13.003 1.00 55.36 C +ATOM 166 OE1 GLN B 117 -0.913 40.009 -13.858 1.00 60.65 O +ATOM 167 NE2 GLN B 117 -1.237 38.208 -12.507 1.00 48.68 N +ATOM 168 N THR B 118 0.767 37.766 -10.002 1.00 48.37 N +ATOM 169 CA THR B 118 1.166 36.495 -9.498 1.00 49.93 C +ATOM 170 C THR B 118 1.785 35.740 -10.642 1.00 50.16 C +ATOM 171 O THR B 118 1.219 35.665 -11.721 1.00 49.62 O +ATOM 172 CB THR B 118 -0.010 35.709 -8.916 1.00 50.56 C +ATOM 173 OG1 THR B 118 -0.742 35.102 -9.983 1.00 54.45 O +ATOM 174 CG2 THR B 118 -0.931 36.621 -8.085 1.00 51.03 C +ATOM 175 N TYR B 119 2.976 35.223 -10.396 1.00 51.06 N +ATOM 176 CA TYR B 119 3.670 34.392 -11.357 1.00 51.69 C +ATOM 177 C TYR B 119 4.076 33.057 -10.763 1.00 49.71 C +ATOM 178 O TYR B 119 4.175 32.895 -9.546 1.00 47.48 O +ATOM 179 CB TYR B 119 4.929 35.102 -11.855 1.00 54.10 C +ATOM 180 CG TYR B 119 4.631 36.335 -12.667 1.00 57.37 C +ATOM 181 CD1 TYR B 119 5.189 37.558 -12.338 1.00 60.29 C +ATOM 182 CD2 TYR B 119 3.767 36.285 -13.748 1.00 60.19 C +ATOM 183 CE1 TYR B 119 4.929 38.674 -13.083 1.00 60.07 C +ATOM 184 CE2 TYR B 119 3.481 37.411 -14.469 1.00 61.16 C +ATOM 185 CZ TYR B 119 4.086 38.601 -14.122 1.00 59.59 C +ATOM 186 OH TYR B 119 3.832 39.754 -14.800 1.00 61.17 O +ATOM 187 N GLY B 120 4.324 32.109 -11.667 1.00 47.44 N +ATOM 188 CA GLY B 120 4.856 30.808 -11.297 1.00 45.70 C +ATOM 189 C GLY B 120 6.289 30.881 -10.833 1.00 44.14 C +ATOM 190 O GLY B 120 7.143 31.472 -11.475 1.00 43.56 O +ATOM 191 N LEU B 121 6.554 30.267 -9.704 1.00 43.53 N +ATOM 192 CA LEU B 121 7.904 30.109 -9.223 1.00 43.84 C +ATOM 193 C LEU B 121 8.311 28.645 -9.379 1.00 44.37 C +ATOM 194 O LEU B 121 7.717 27.763 -8.791 1.00 44.58 O +ATOM 195 CB LEU B 121 7.948 30.529 -7.756 1.00 44.43 C +ATOM 196 CG LEU B 121 9.296 30.668 -7.085 1.00 45.42 C +ATOM 197 CD1 LEU B 121 10.123 31.673 -7.889 1.00 44.49 C +ATOM 198 CD2 LEU B 121 9.175 31.045 -5.581 1.00 42.99 C +ATOM 199 N HIS B 122 9.344 28.389 -10.167 1.00 45.07 N +ATOM 200 CA HIS B 122 9.714 27.032 -10.516 1.00 45.36 C +ATOM 201 C HIS B 122 10.713 26.486 -9.594 1.00 46.34 C +ATOM 202 O HIS B 122 11.511 27.213 -9.030 1.00 46.12 O +ATOM 203 CB HIS B 122 10.306 26.962 -11.913 1.00 44.94 C +ATOM 204 CG HIS B 122 9.362 27.420 -12.945 1.00 43.75 C +ATOM 205 ND1 HIS B 122 8.473 26.568 -13.563 1.00 43.93 N +ATOM 206 CD2 HIS B 122 9.092 28.657 -13.409 1.00 43.08 C +ATOM 207 CE1 HIS B 122 7.721 27.263 -14.397 1.00 45.29 C +ATOM 208 NE2 HIS B 122 8.094 28.532 -14.337 1.00 43.23 N +ATOM 209 N HIS B 123 10.637 25.185 -9.443 1.00 47.36 N +ATOM 210 CA HIS B 123 11.744 24.444 -8.960 1.00 49.07 C +ATOM 211 C HIS B 123 11.823 23.161 -9.786 1.00 49.24 C +ATOM 212 O HIS B 123 10.910 22.797 -10.493 1.00 48.28 O +ATOM 213 CB HIS B 123 11.604 24.186 -7.456 1.00 49.97 C +ATOM 214 CG HIS B 123 10.356 23.464 -7.096 1.00 50.68 C +ATOM 215 ND1 HIS B 123 10.299 22.091 -6.983 1.00 51.46 N +ATOM 216 CD2 HIS B 123 9.103 23.923 -6.884 1.00 50.57 C +ATOM 217 CE1 HIS B 123 9.062 21.743 -6.672 1.00 52.51 C +ATOM 218 NE2 HIS B 123 8.316 22.833 -6.619 1.00 49.84 N +ATOM 219 N ARG B 124 12.953 22.501 -9.687 1.00 50.47 N +ATOM 220 CA ARG B 124 13.427 21.653 -10.757 1.00 51.96 C +ATOM 221 C ARG B 124 12.520 20.473 -11.065 1.00 53.13 C +ATOM 222 O ARG B 124 12.308 20.165 -12.241 1.00 53.43 O +ATOM 223 CB ARG B 124 14.803 21.127 -10.427 1.00 51.96 C +ATOM 224 CG ARG B 124 15.713 21.084 -11.599 1.00 54.30 C +ATOM 225 CD ARG B 124 16.948 20.275 -11.256 1.00 57.01 C +ATOM 226 NE ARG B 124 18.122 21.072 -10.867 1.00 58.51 N +ATOM 227 CZ ARG B 124 18.518 21.337 -9.609 1.00 58.90 C +ATOM 228 NH1 ARG B 124 19.623 22.041 -9.420 1.00 57.33 N +ATOM 229 NH2 ARG B 124 17.826 20.921 -8.547 1.00 60.54 N +ATOM 230 N GLU B 125 12.016 19.800 -10.021 1.00 53.95 N +ATOM 231 CA GLU B 125 11.220 18.571 -10.219 1.00 54.61 C +ATOM 232 C GLU B 125 9.764 18.809 -9.860 1.00 54.86 C +ATOM 233 O GLU B 125 9.052 17.880 -9.494 1.00 56.40 O +ATOM 234 CB GLU B 125 11.796 17.387 -9.413 1.00 54.90 C +ATOM 235 CG GLU B 125 13.193 16.908 -9.858 1.00 54.98 C +ATOM 236 N GLU B 126 9.314 20.052 -9.974 1.00 54.73 N +ATOM 237 CA GLU B 126 7.915 20.377 -9.794 1.00 54.38 C +ATOM 238 C GLU B 126 7.043 19.494 -10.670 1.00 55.13 C +ATOM 239 O GLU B 126 7.455 19.069 -11.758 1.00 54.64 O +ATOM 240 CB GLU B 126 7.659 21.837 -10.159 1.00 54.11 C +ATOM 241 CG GLU B 126 8.014 22.161 -11.601 1.00 52.02 C +ATOM 242 CD GLU B 126 8.069 23.643 -11.873 1.00 47.63 C +ATOM 243 OE1 GLU B 126 7.840 24.430 -10.951 1.00 43.63 O +ATOM 244 OE2 GLU B 126 8.384 24.010 -13.021 1.00 48.17 O +ATOM 245 N GLN B 127 5.848 19.208 -10.160 1.00 56.42 N +ATOM 246 CA GLN B 127 4.794 18.495 -10.903 1.00 57.47 C +ATOM 247 C GLN B 127 3.673 19.480 -11.244 1.00 58.14 C +ATOM 248 O GLN B 127 2.909 19.262 -12.178 1.00 58.63 O +ATOM 249 CB GLN B 127 4.250 17.319 -10.078 1.00 57.60 C +ATOM 250 CG GLN B 127 5.215 16.123 -9.976 1.00 58.28 C +ATOM 251 N ARG B 128 3.588 20.562 -10.465 1.00 58.50 N +ATOM 252 CA ARG B 128 2.727 21.711 -10.758 1.00 58.32 C +ATOM 253 C ARG B 128 3.505 22.993 -10.414 1.00 57.72 C +ATOM 254 O ARG B 128 4.419 22.982 -9.575 1.00 58.22 O +ATOM 255 CB ARG B 128 1.426 21.635 -9.947 1.00 58.69 C +ATOM 256 N VAL B 129 3.177 24.093 -11.076 1.00 56.30 N +ATOM 257 CA VAL B 129 3.897 25.338 -10.820 1.00 54.69 C +ATOM 258 C VAL B 129 3.215 26.064 -9.670 1.00 53.10 C +ATOM 259 O VAL B 129 1.998 26.249 -9.682 1.00 52.47 O +ATOM 260 CB VAL B 129 4.025 26.247 -12.091 1.00 54.90 C +ATOM 261 CG1 VAL B 129 5.019 27.395 -11.838 1.00 52.00 C +ATOM 262 CG2 VAL B 129 4.451 25.394 -13.316 1.00 54.74 C +ATOM 263 N GLU B 130 4.009 26.445 -8.672 1.00 51.59 N +ATOM 264 CA GLU B 130 3.519 27.241 -7.529 1.00 51.10 C +ATOM 265 C GLU B 130 3.431 28.743 -7.865 1.00 49.57 C +ATOM 266 O GLU B 130 4.413 29.372 -8.138 1.00 48.92 O +ATOM 267 CB GLU B 130 4.423 27.038 -6.296 1.00 50.72 C +ATOM 268 N MET B 131 2.233 29.290 -7.867 1.00 49.23 N +ATOM 269 CA MET B 131 2.042 30.741 -7.996 1.00 48.88 C +ATOM 270 C MET B 131 2.481 31.509 -6.741 1.00 46.82 C +ATOM 271 O MET B 131 2.209 31.106 -5.603 1.00 46.08 O +ATOM 272 CB MET B 131 0.579 31.043 -8.281 1.00 49.70 C +ATOM 273 CG MET B 131 0.060 30.313 -9.471 1.00 53.56 C +ATOM 274 SD MET B 131 1.104 30.656 -10.909 1.00 60.39 S +ATOM 275 CE MET B 131 0.467 32.247 -11.357 1.00 56.96 C +ATOM 276 N VAL B 132 3.211 32.595 -6.941 1.00 45.20 N +ATOM 277 CA VAL B 132 3.496 33.497 -5.852 1.00 43.91 C +ATOM 278 C VAL B 132 3.148 34.885 -6.290 1.00 43.40 C +ATOM 279 O VAL B 132 3.004 35.153 -7.478 1.00 43.20 O +ATOM 280 CB VAL B 132 4.950 33.420 -5.360 1.00 44.20 C +ATOM 281 CG1 VAL B 132 5.285 31.987 -4.885 1.00 41.86 C +ATOM 282 CG2 VAL B 132 5.925 33.969 -6.433 1.00 43.13 C +ATOM 283 N THR B 133 2.999 35.759 -5.304 1.00 42.27 N +ATOM 284 CA THR B 133 2.536 37.134 -5.512 1.00 42.08 C +ATOM 285 C THR B 133 3.618 38.204 -5.286 1.00 41.39 C +ATOM 286 O THR B 133 4.228 38.287 -4.216 1.00 39.76 O +ATOM 287 CB THR B 133 1.353 37.451 -4.569 1.00 42.08 C +ATOM 288 OG1 THR B 133 0.282 36.557 -4.858 1.00 41.93 O +ATOM 289 CG2 THR B 133 0.885 38.889 -4.766 1.00 40.90 C +ATOM 290 N PHE B 134 3.781 39.051 -6.277 1.00 41.60 N +ATOM 291 CA APHE B 134 4.704 40.120 -6.035 0.50 41.95 C +ATOM 292 CA BPHE B 134 4.806 40.094 -6.408 0.50 43.10 C +ATOM 293 C PHE B 134 4.102 41.478 -6.368 1.00 42.64 C +ATOM 294 O PHE B 134 3.022 41.613 -6.993 1.00 41.34 O +ATOM 295 CB APHE B 134 6.014 39.858 -6.780 0.40 41.71 C +ATOM 296 CB BPHE B 134 5.496 40.023 -7.818 0.60 44.49 C +ATOM 297 CG APHE B 134 6.056 40.462 -8.125 0.40 41.72 C +ATOM 298 CG BPHE B 134 6.211 38.712 -8.157 0.60 46.51 C +ATOM 299 CD1APHE B 134 5.385 39.874 -9.173 0.40 41.02 C +ATOM 300 CD1BPHE B 134 7.590 38.693 -8.358 0.60 49.92 C +ATOM 301 CD2APHE B 134 6.747 41.643 -8.339 0.40 40.47 C +ATOM 302 CD2BPHE B 134 5.515 37.542 -8.374 0.60 49.44 C +ATOM 303 CE1APHE B 134 5.408 40.455 -10.403 0.40 40.92 C +ATOM 304 CE1BPHE B 134 8.282 37.508 -8.723 0.60 48.96 C +ATOM 305 CE2APHE B 134 6.772 42.217 -9.566 0.40 40.41 C +ATOM 306 CE2BPHE B 134 6.201 36.353 -8.722 0.60 50.89 C +ATOM 307 CZ APHE B 134 6.099 41.630 -10.603 0.40 41.24 C +ATOM 308 CZ BPHE B 134 7.595 36.350 -8.889 0.60 48.59 C +ATOM 309 N VAL B 135 4.753 42.494 -5.794 1.00 42.67 N +ATOM 310 CA VAL B 135 4.284 43.863 -5.880 1.00 41.96 C +ATOM 311 C VAL B 135 4.874 44.469 -7.161 1.00 43.18 C +ATOM 312 O VAL B 135 6.102 44.561 -7.293 1.00 42.32 O +ATOM 313 CB VAL B 135 4.700 44.681 -4.666 1.00 41.76 C +ATOM 314 CG1 VAL B 135 4.297 46.140 -4.876 1.00 39.17 C +ATOM 315 CG2 VAL B 135 4.057 44.118 -3.384 1.00 39.08 C +ATOM 316 N CYS B 136 4.010 44.829 -8.109 1.00 42.88 N +ATOM 317 CA CYS B 136 4.474 45.312 -9.407 1.00 44.74 C +ATOM 318 C CYS B 136 4.406 46.834 -9.540 1.00 44.02 C +ATOM 319 O CYS B 136 5.001 47.385 -10.423 1.00 44.57 O +ATOM 320 CB CYS B 136 3.697 44.638 -10.545 1.00 45.05 C +ATOM 321 SG CYS B 136 1.905 44.852 -10.481 1.00 50.60 S +ATOM 322 N ARG B 137 3.682 47.503 -8.647 1.00 44.06 N +ATOM 323 CA ARG B 137 3.515 48.941 -8.717 1.00 43.66 C +ATOM 324 C ARG B 137 3.115 49.489 -7.349 1.00 41.58 C +ATOM 325 O ARG B 137 2.311 48.876 -6.629 1.00 41.23 O +ATOM 326 CB ARG B 137 2.444 49.282 -9.750 1.00 44.27 C +ATOM 327 CG ARG B 137 2.429 50.766 -10.144 1.00 45.21 C +ATOM 328 CD ARG B 137 1.164 51.083 -10.943 1.00 47.91 C +ATOM 329 NE ARG B 137 1.322 50.908 -12.383 1.00 50.92 N +ATOM 330 CZ ARG B 137 0.328 51.105 -13.258 1.00 54.70 C +ATOM 331 NH1 ARG B 137 -0.926 51.449 -12.844 1.00 53.61 N +ATOM 332 NH2 ARG B 137 0.579 50.957 -14.561 1.00 54.54 N +ATOM 333 N VAL B 138 3.736 50.606 -6.972 1.00 39.40 N +ATOM 334 CA VAL B 138 3.443 51.286 -5.742 1.00 37.57 C +ATOM 335 C VAL B 138 3.352 52.778 -5.979 1.00 38.03 C +ATOM 336 O VAL B 138 4.245 53.376 -6.511 1.00 37.10 O +ATOM 337 CB VAL B 138 4.445 50.990 -4.651 1.00 37.46 C +ATOM 338 CG1 VAL B 138 4.084 51.782 -3.416 1.00 33.44 C +ATOM 339 CG2 VAL B 138 4.462 49.469 -4.352 1.00 33.17 C +ATOM 340 N HIS B 139 2.247 53.382 -5.572 1.00 37.93 N +ATOM 341 CA HIS B 139 2.072 54.753 -5.890 1.00 38.85 C +ATOM 342 C HIS B 139 2.770 55.643 -4.867 1.00 39.45 C +ATOM 343 O HIS B 139 2.644 55.462 -3.651 1.00 38.76 O +ATOM 344 CB HIS B 139 0.591 55.110 -6.057 1.00 38.57 C +ATOM 345 CG HIS B 139 0.390 56.274 -6.949 1.00 40.38 C +ATOM 346 ND1 HIS B 139 0.596 57.573 -6.525 1.00 43.28 N +ATOM 347 CD2 HIS B 139 0.135 56.344 -8.277 1.00 40.79 C +ATOM 348 CE1 HIS B 139 0.419 58.394 -7.545 1.00 43.56 C +ATOM 349 NE2 HIS B 139 0.134 57.675 -8.620 1.00 39.50 N +ATOM 350 N GLU B 140 3.483 56.630 -5.382 1.00 40.68 N +ATOM 351 CA GLU B 140 4.264 57.517 -4.543 1.00 41.88 C +ATOM 352 C GLU B 140 3.355 58.170 -3.533 1.00 41.50 C +ATOM 353 O GLU B 140 2.229 58.505 -3.838 1.00 41.74 O +ATOM 354 CB GLU B 140 5.011 58.571 -5.368 1.00 42.63 C +ATOM 355 CG GLU B 140 6.079 58.017 -6.360 1.00 45.73 C +ATOM 356 CD GLU B 140 7.192 57.223 -5.682 1.00 50.12 C +ATOM 357 OE1 GLU B 140 7.366 57.384 -4.457 1.00 54.60 O +ATOM 358 OE2 GLU B 140 7.883 56.426 -6.362 1.00 51.83 O +ATOM 359 N SER B 141 3.844 58.246 -2.303 1.00 41.51 N +ATOM 360 CA SER B 141 3.157 58.839 -1.168 1.00 41.81 C +ATOM 361 C SER B 141 1.874 58.163 -0.665 1.00 41.24 C +ATOM 362 O SER B 141 1.142 58.728 0.153 1.00 40.39 O +ATOM 363 CB SER B 141 2.914 60.317 -1.448 1.00 43.21 C +ATOM 364 OG SER B 141 1.670 60.481 -2.108 1.00 47.79 O +ATOM 365 N SER B 142 1.640 56.917 -1.087 1.00 40.87 N +ATOM 366 CA SER B 142 0.459 56.135 -0.679 1.00 39.41 C +ATOM 367 C SER B 142 0.745 55.499 0.647 1.00 38.84 C +ATOM 368 O SER B 142 1.883 55.339 1.003 1.00 38.81 O +ATOM 369 CB SER B 142 0.197 55.019 -1.688 1.00 38.74 C +ATOM 370 OG SER B 142 1.299 54.123 -1.746 1.00 36.86 O +ATOM 371 N PRO B 143 -0.290 55.087 1.374 1.00 39.05 N +ATOM 372 CA PRO B 143 -0.065 54.265 2.576 1.00 39.05 C +ATOM 373 C PRO B 143 0.931 53.132 2.352 1.00 39.03 C +ATOM 374 O PRO B 143 1.735 52.858 3.239 1.00 37.72 O +ATOM 375 CB PRO B 143 -1.455 53.689 2.861 1.00 39.25 C +ATOM 376 CG PRO B 143 -2.381 54.772 2.428 1.00 39.02 C +ATOM 377 CD PRO B 143 -1.720 55.349 1.153 1.00 39.25 C +ATOM 378 N ALA B 144 0.896 52.509 1.156 1.00 39.08 N +ATOM 379 CA ALA B 144 1.798 51.372 0.846 1.00 39.37 C +ATOM 380 C ALA B 144 3.245 51.830 0.869 1.00 39.64 C +ATOM 381 O ALA B 144 4.110 51.205 1.462 1.00 38.72 O +ATOM 382 CB ALA B 144 1.458 50.716 -0.551 1.00 39.86 C +ATOM 383 N GLN B 145 3.498 52.933 0.184 1.00 40.32 N +ATOM 384 CA GLN B 145 4.830 53.477 0.057 1.00 40.83 C +ATOM 385 C GLN B 145 5.354 53.980 1.398 1.00 40.81 C +ATOM 386 O GLN B 145 6.523 53.771 1.746 1.00 40.37 O +ATOM 387 CB GLN B 145 4.806 54.595 -0.958 1.00 41.72 C +ATOM 388 CG GLN B 145 6.165 55.043 -1.432 1.00 43.97 C +ATOM 389 CD GLN B 145 6.557 56.338 -0.807 1.00 48.61 C +ATOM 390 OE1 GLN B 145 5.870 57.358 -0.962 1.00 49.58 O +ATOM 391 NE2 GLN B 145 7.659 56.316 -0.063 1.00 51.23 N +ATOM 392 N LEU B 146 4.498 54.651 2.153 1.00 40.67 N +ATOM 393 CA LEU B 146 4.908 55.130 3.464 1.00 41.02 C +ATOM 394 C LEU B 146 5.320 53.970 4.390 1.00 41.90 C +ATOM 395 O LEU B 146 6.263 54.105 5.128 1.00 42.13 O +ATOM 396 CB LEU B 146 3.792 55.950 4.098 1.00 40.83 C +ATOM 397 CG LEU B 146 3.509 57.301 3.425 1.00 40.92 C +ATOM 398 CD1 LEU B 146 2.536 58.098 4.302 1.00 37.87 C +ATOM 399 CD2 LEU B 146 4.803 58.149 3.061 1.00 37.46 C +ATOM 400 N ALA B 147 4.610 52.839 4.314 1.00 43.21 N +ATOM 401 CA ALA B 147 4.895 51.638 5.134 1.00 43.82 C +ATOM 402 C ALA B 147 6.102 50.833 4.644 1.00 43.80 C +ATOM 403 O ALA B 147 6.548 49.899 5.341 1.00 45.01 O +ATOM 404 CB ALA B 147 3.653 50.740 5.258 1.00 43.05 C +ATOM 405 N GLY B 148 6.648 51.196 3.483 1.00 43.93 N +ATOM 406 CA GLY B 148 7.953 50.683 3.027 1.00 43.40 C +ATOM 407 C GLY B 148 7.854 49.736 1.848 1.00 43.81 C +ATOM 408 O GLY B 148 8.861 49.147 1.405 1.00 43.67 O +ATOM 409 N LEU B 149 6.647 49.575 1.305 1.00 43.44 N +ATOM 410 CA LEU B 149 6.450 48.624 0.202 1.00 42.51 C +ATOM 411 C LEU B 149 6.984 49.226 -1.092 1.00 42.84 C +ATOM 412 O LEU B 149 6.731 50.414 -1.353 1.00 42.79 O +ATOM 413 CB LEU B 149 4.966 48.359 0.032 1.00 42.58 C +ATOM 414 CG LEU B 149 4.599 47.113 -0.736 1.00 42.05 C +ATOM 415 CD1 LEU B 149 5.045 45.919 0.100 1.00 38.09 C +ATOM 416 CD2 LEU B 149 3.096 47.090 -1.035 1.00 41.44 C +ATOM 417 N THR B 150 7.677 48.402 -1.888 1.00 42.48 N +ATOM 418 CA THR B 150 8.236 48.790 -3.179 1.00 42.08 C +ATOM 419 C THR B 150 7.997 47.762 -4.278 1.00 40.93 C +ATOM 420 O THR B 150 7.838 46.572 -4.012 1.00 39.66 O +ATOM 421 CB THR B 150 9.765 49.037 -3.071 1.00 43.35 C +ATOM 422 OG1 THR B 150 10.439 47.799 -2.843 1.00 46.09 O +ATOM 423 CG2 THR B 150 10.102 50.043 -1.903 1.00 45.18 C +ATOM 424 N PRO B 151 7.999 48.217 -5.545 1.00 40.51 N +ATOM 425 CA PRO B 151 7.893 47.322 -6.642 1.00 40.47 C +ATOM 426 C PRO B 151 8.995 46.277 -6.540 1.00 40.70 C +ATOM 427 O PRO B 151 10.104 46.627 -6.204 1.00 41.59 O +ATOM 428 CB PRO B 151 8.113 48.241 -7.860 1.00 40.78 C +ATOM 429 CG PRO B 151 7.730 49.506 -7.444 1.00 40.75 C +ATOM 430 CD PRO B 151 8.122 49.609 -6.017 1.00 41.35 C +ATOM 431 N GLY B 152 8.659 45.019 -6.794 1.00 40.85 N +ATOM 432 CA GLY B 152 9.584 43.910 -6.738 1.00 41.22 C +ATOM 433 C GLY B 152 9.575 43.157 -5.413 1.00 41.62 C +ATOM 434 O GLY B 152 10.187 42.098 -5.303 1.00 42.07 O +ATOM 435 N ASP B 153 8.883 43.703 -4.413 1.00 41.44 N +ATOM 436 CA ASP B 153 8.610 43.001 -3.164 1.00 41.28 C +ATOM 437 C ASP B 153 7.756 41.790 -3.476 1.00 40.60 C +ATOM 438 O ASP B 153 6.898 41.843 -4.356 1.00 41.75 O +ATOM 439 CB ASP B 153 7.831 43.876 -2.164 1.00 40.53 C +ATOM 440 CG ASP B 153 8.713 44.696 -1.314 1.00 42.58 C +ATOM 441 OD1 ASP B 153 9.850 44.273 -1.128 1.00 48.61 O +ATOM 442 OD2 ASP B 153 8.299 45.766 -0.813 1.00 41.85 O +ATOM 443 N THR B 154 8.006 40.709 -2.754 1.00 40.40 N +ATOM 444 CA THR B 154 7.232 39.505 -2.855 1.00 40.45 C +ATOM 445 C THR B 154 6.447 39.333 -1.556 1.00 40.48 C +ATOM 446 O THR B 154 7.007 39.384 -0.476 1.00 40.01 O +ATOM 447 CB THR B 154 8.116 38.296 -3.075 1.00 40.70 C +ATOM 448 OG1 THR B 154 8.856 38.477 -4.275 1.00 41.12 O +ATOM 449 CG2 THR B 154 7.252 37.005 -3.188 1.00 39.79 C +ATOM 450 N ILE B 155 5.133 39.176 -1.669 1.00 40.89 N +ATOM 451 CA ILE B 155 4.304 39.016 -0.484 1.00 41.02 C +ATOM 452 C ILE B 155 4.216 37.523 -0.120 1.00 40.92 C +ATOM 453 O ILE B 155 3.585 36.762 -0.813 1.00 41.76 O +ATOM 454 CB ILE B 155 2.907 39.612 -0.697 1.00 41.20 C +ATOM 455 CG1 ILE B 155 3.001 41.109 -0.972 1.00 41.97 C +ATOM 456 CG2 ILE B 155 2.021 39.384 0.536 1.00 40.45 C +ATOM 457 CD1 ILE B 155 1.691 41.709 -1.534 1.00 40.60 C +ATOM 458 N ALA B 156 4.854 37.111 0.967 1.00 41.12 N +ATOM 459 CA ALA B 156 4.814 35.698 1.377 1.00 41.30 C +ATOM 460 C ALA B 156 3.549 35.423 2.195 1.00 41.15 C +ATOM 461 O ALA B 156 2.962 34.338 2.110 1.00 39.88 O +ATOM 462 CB ALA B 156 6.098 35.308 2.195 1.00 40.62 C +ATOM 463 N SER B 157 3.159 36.397 3.025 1.00 41.77 N +ATOM 464 CA SER B 157 1.960 36.259 3.800 1.00 42.35 C +ATOM 465 C SER B 157 1.236 37.569 4.019 1.00 42.64 C +ATOM 466 O SER B 157 1.837 38.633 4.000 1.00 41.95 O +ATOM 467 CB SER B 157 2.249 35.585 5.137 1.00 42.85 C +ATOM 468 OG SER B 157 2.742 36.516 6.054 1.00 47.50 O +ATOM 469 N VAL B 158 -0.083 37.452 4.162 1.00 42.77 N +ATOM 470 CA VAL B 158 -0.985 38.549 4.459 1.00 43.68 C +ATOM 471 C VAL B 158 -1.780 38.139 5.693 1.00 44.63 C +ATOM 472 O VAL B 158 -2.453 37.092 5.672 1.00 44.39 O +ATOM 473 CB VAL B 158 -2.024 38.755 3.302 1.00 43.63 C +ATOM 474 CG1 VAL B 158 -2.910 39.951 3.599 1.00 42.57 C +ATOM 475 CG2 VAL B 158 -1.325 38.886 1.933 1.00 42.87 C +ATOM 476 N ASN B 159 -1.699 38.917 6.760 1.00 46.19 N +ATOM 477 CA ASN B 159 -2.430 38.608 7.985 1.00 48.59 C +ATOM 478 C ASN B 159 -2.355 37.109 8.305 1.00 49.39 C +ATOM 479 O ASN B 159 -3.385 36.457 8.563 1.00 51.03 O +ATOM 480 CB ASN B 159 -3.919 38.996 7.853 1.00 49.00 C +ATOM 481 CG ASN B 159 -4.154 40.499 7.643 1.00 50.25 C +ATOM 482 OD1 ASN B 159 -3.281 41.344 7.869 1.00 51.04 O +ATOM 483 ND2 ASN B 159 -5.396 40.833 7.236 1.00 52.03 N +ATOM 484 N GLY B 160 -1.153 36.550 8.263 1.00 49.76 N +ATOM 485 CA GLY B 160 -0.942 35.183 8.705 1.00 49.89 C +ATOM 486 C GLY B 160 -1.379 34.121 7.715 1.00 50.06 C +ATOM 487 O GLY B 160 -1.433 32.934 8.073 1.00 50.78 O +ATOM 488 N LEU B 161 -1.728 34.532 6.492 1.00 49.27 N +ATOM 489 CA LEU B 161 -2.130 33.584 5.458 1.00 48.85 C +ATOM 490 C LEU B 161 -0.970 33.481 4.517 1.00 49.02 C +ATOM 491 O LEU B 161 -0.535 34.494 3.963 1.00 46.58 O +ATOM 492 CB LEU B 161 -3.336 34.070 4.661 1.00 48.14 C +ATOM 493 CG LEU B 161 -4.624 34.363 5.396 1.00 50.03 C +ATOM 494 CD1 LEU B 161 -5.675 34.537 4.319 1.00 53.21 C +ATOM 495 CD2 LEU B 161 -5.017 33.260 6.347 1.00 48.65 C +ATOM 496 N ASN B 162 -0.489 32.261 4.322 1.00 49.30 N +ATOM 497 CA ASN B 162 0.470 32.020 3.283 1.00 51.04 C +ATOM 498 C ASN B 162 -0.227 31.976 1.948 1.00 50.70 C +ATOM 499 O ASN B 162 -1.050 31.085 1.685 1.00 51.41 O +ATOM 500 CB ASN B 162 1.248 30.741 3.534 1.00 51.74 C +ATOM 501 CG ASN B 162 2.435 30.985 4.448 1.00 57.61 C +ATOM 502 OD1 ASN B 162 2.413 30.598 5.620 1.00 62.75 O +ATOM 503 ND2 ASN B 162 3.486 31.678 3.916 1.00 62.54 N +ATOM 504 N VAL B 163 0.141 32.916 1.092 1.00 49.82 N +ATOM 505 CA VAL B 163 -0.578 33.140 -0.124 1.00 49.32 C +ATOM 506 C VAL B 163 0.022 32.464 -1.358 1.00 48.90 C +ATOM 507 O VAL B 163 -0.484 32.661 -2.452 1.00 48.25 O +ATOM 508 CB VAL B 163 -0.854 34.668 -0.306 1.00 49.99 C +ATOM 509 CG1 VAL B 163 -1.623 35.174 0.945 1.00 49.67 C +ATOM 510 CG2 VAL B 163 0.419 35.482 -0.541 1.00 48.27 C +ATOM 511 N GLU B 164 1.033 31.615 -1.183 1.00 49.29 N +ATOM 512 CA GLU B 164 1.527 30.793 -2.301 1.00 50.44 C +ATOM 513 C GLU B 164 0.408 29.909 -2.780 1.00 49.40 C +ATOM 514 O GLU B 164 -0.396 29.466 -1.988 1.00 48.52 O +ATOM 515 CB GLU B 164 2.742 29.929 -1.929 1.00 50.70 C +ATOM 516 CG GLU B 164 2.472 28.852 -0.919 1.00 52.78 C +ATOM 517 CD GLU B 164 3.692 27.974 -0.634 1.00 53.92 C +ATOM 518 OE1 GLU B 164 4.064 27.168 -1.545 1.00 57.47 O +ATOM 519 OE2 GLU B 164 4.247 28.080 0.503 1.00 56.38 O +ATOM 520 N GLY B 165 0.329 29.713 -4.090 1.00 48.84 N +ATOM 521 CA GLY B 165 -0.649 28.846 -4.673 1.00 48.66 C +ATOM 522 C GLY B 165 -1.989 29.519 -4.861 1.00 49.54 C +ATOM 523 O GLY B 165 -2.839 28.996 -5.579 1.00 49.22 O +ATOM 524 N ILE B 166 -2.190 30.683 -4.237 1.00 49.65 N +ATOM 525 CA ILE B 166 -3.453 31.394 -4.369 1.00 49.52 C +ATOM 526 C ILE B 166 -3.378 32.213 -5.641 1.00 48.91 C +ATOM 527 O ILE B 166 -2.410 32.924 -5.871 1.00 48.93 O +ATOM 528 CB ILE B 166 -3.749 32.289 -3.157 1.00 50.02 C +ATOM 529 CG1 ILE B 166 -3.924 31.418 -1.898 1.00 49.66 C +ATOM 530 CG2 ILE B 166 -5.003 33.132 -3.385 1.00 50.48 C +ATOM 531 CD1 ILE B 166 -4.087 32.236 -0.608 1.00 48.92 C +ATOM 532 N ARG B 167 -4.407 32.090 -6.471 1.00 48.87 N +ATOM 533 CA ARG B 167 -4.453 32.827 -7.737 1.00 48.65 C +ATOM 534 C ARG B 167 -4.679 34.328 -7.514 1.00 47.03 C +ATOM 535 O ARG B 167 -5.218 34.742 -6.487 1.00 45.65 O +ATOM 536 CB ARG B 167 -5.535 32.244 -8.667 1.00 49.12 C +ATOM 537 CG ARG B 167 -6.947 32.237 -8.069 1.00 51.01 C +ATOM 538 N HIS B 168 -4.252 35.095 -8.520 1.00 45.46 N +ATOM 539 CA HIS B 168 -4.314 36.555 -8.569 1.00 44.65 C +ATOM 540 C HIS B 168 -5.634 37.166 -8.152 1.00 43.05 C +ATOM 541 O HIS B 168 -5.667 38.033 -7.297 1.00 41.99 O +ATOM 542 CB HIS B 168 -3.974 37.013 -9.994 1.00 45.46 C +ATOM 543 CG HIS B 168 -3.860 38.491 -10.141 1.00 46.74 C +ATOM 544 ND1 HIS B 168 -4.876 39.265 -10.666 1.00 49.72 N +ATOM 545 CD2 HIS B 168 -2.868 39.345 -9.811 1.00 48.23 C +ATOM 546 CE1 HIS B 168 -4.510 40.535 -10.664 1.00 49.62 C +ATOM 547 NE2 HIS B 168 -3.295 40.614 -10.148 1.00 49.73 N +ATOM 548 N ARG B 169 -6.729 36.715 -8.735 1.00 42.22 N +ATOM 549 CA ARG B 169 -8.013 37.332 -8.418 1.00 42.20 C +ATOM 550 C ARG B 169 -8.411 37.119 -6.990 1.00 41.96 C +ATOM 551 O ARG B 169 -9.024 37.999 -6.388 1.00 41.57 O +ATOM 552 CB ARG B 169 -9.151 36.820 -9.287 1.00 42.84 C +ATOM 553 CG ARG B 169 -9.488 37.741 -10.396 0.50 44.28 C +ATOM 554 CD ARG B 169 -9.026 37.161 -11.690 0.50 46.58 C +ATOM 555 NE ARG B 169 -8.315 38.186 -12.435 0.50 47.37 N +ATOM 556 CZ ARG B 169 -7.258 37.952 -13.193 0.50 45.96 C +ATOM 557 NH1 ARG B 169 -6.693 38.963 -13.818 0.50 46.22 N +ATOM 558 NH2 ARG B 169 -6.762 36.723 -13.319 0.50 45.12 N +ATOM 559 N GLU B 170 -8.065 35.951 -6.457 1.00 41.76 N +ATOM 560 CA GLU B 170 -8.336 35.667 -5.064 1.00 41.87 C +ATOM 561 C GLU B 170 -7.506 36.504 -4.124 1.00 41.11 C +ATOM 562 O GLU B 170 -8.037 37.006 -3.149 1.00 41.08 O +ATOM 563 CB GLU B 170 -8.107 34.207 -4.746 1.00 41.96 C +ATOM 564 CG GLU B 170 -9.068 33.297 -5.473 1.00 45.20 C +ATOM 565 CD GLU B 170 -9.074 31.867 -4.912 1.00 50.25 C +ATOM 566 OE1 GLU B 170 -8.744 31.671 -3.702 1.00 46.43 O +ATOM 567 OE2 GLU B 170 -9.409 30.935 -5.702 1.00 55.38 O +ATOM 568 N ILE B 171 -6.216 36.630 -4.408 1.00 40.68 N +ATOM 569 CA ILE B 171 -5.321 37.442 -3.596 1.00 41.38 C +ATOM 570 C ILE B 171 -5.779 38.913 -3.588 1.00 40.69 C +ATOM 571 O ILE B 171 -5.774 39.575 -2.548 1.00 39.90 O +ATOM 572 CB ILE B 171 -3.889 37.421 -4.124 1.00 41.75 C +ATOM 573 CG1 ILE B 171 -3.398 35.993 -4.279 1.00 44.92 C +ATOM 574 CG2 ILE B 171 -2.977 38.185 -3.157 1.00 42.99 C +ATOM 575 N VAL B 172 -6.180 39.415 -4.751 1.00 41.05 N +ATOM 576 CA VAL B 172 -6.724 40.763 -4.825 1.00 41.56 C +ATOM 577 C VAL B 172 -7.885 40.862 -3.862 1.00 41.66 C +ATOM 578 O VAL B 172 -7.915 41.768 -3.052 1.00 42.08 O +ATOM 579 CB VAL B 172 -7.166 41.201 -6.256 1.00 41.87 C +ATOM 580 CG1 VAL B 172 -8.022 42.512 -6.182 1.00 40.97 C +ATOM 581 CG2 VAL B 172 -5.960 41.417 -7.159 1.00 41.92 C +ATOM 582 N ASP B 173 -8.829 39.930 -3.951 1.00 42.47 N +ATOM 583 CA ASP B 173 -9.993 39.920 -3.054 1.00 43.51 C +ATOM 584 C ASP B 173 -9.607 39.781 -1.569 1.00 42.87 C +ATOM 585 O ASP B 173 -10.191 40.405 -0.678 1.00 42.93 O +ATOM 586 CB ASP B 173 -10.931 38.771 -3.424 1.00 44.31 C +ATOM 587 CG ASP B 173 -11.752 39.057 -4.646 1.00 48.86 C +ATOM 588 OD1 ASP B 173 -12.211 40.217 -4.809 1.00 56.98 O +ATOM 589 OD2 ASP B 173 -11.976 38.117 -5.448 1.00 54.38 O +ATOM 590 N ILE B 174 -8.636 38.941 -1.298 1.00 42.58 N +ATOM 591 CA ILE B 174 -8.182 38.774 0.064 1.00 43.12 C +ATOM 592 C ILE B 174 -7.635 40.083 0.614 1.00 42.67 C +ATOM 593 O ILE B 174 -7.965 40.462 1.717 1.00 42.07 O +ATOM 594 CB ILE B 174 -7.134 37.686 0.142 1.00 43.90 C +ATOM 595 CG1 ILE B 174 -7.799 36.325 -0.055 1.00 44.29 C +ATOM 596 CG2 ILE B 174 -6.374 37.743 1.495 1.00 45.01 C +ATOM 597 CD1 ILE B 174 -6.806 35.219 -0.273 1.00 43.41 C +ATOM 598 N ILE B 175 -6.837 40.810 -0.178 1.00 42.58 N +ATOM 599 CA ILE B 175 -6.288 42.079 0.289 1.00 41.15 C +ATOM 600 C ILE B 175 -7.361 43.131 0.454 1.00 41.44 C +ATOM 601 O ILE B 175 -7.347 43.886 1.436 1.00 40.92 O +ATOM 602 CB ILE B 175 -5.153 42.587 -0.616 1.00 40.99 C +ATOM 603 CG1 ILE B 175 -3.963 41.637 -0.482 1.00 41.18 C +ATOM 604 CG2 ILE B 175 -4.779 44.042 -0.231 1.00 39.26 C +ATOM 605 CD1 ILE B 175 -2.922 41.675 -1.620 1.00 40.78 C +ATOM 606 N LYS B 176 -8.304 43.200 -0.478 1.00 41.44 N +ATOM 607 CA LYS B 176 -9.392 44.125 -0.299 1.00 42.96 C +ATOM 608 C LYS B 176 -10.179 43.844 0.985 1.00 43.45 C +ATOM 609 O LYS B 176 -10.731 44.755 1.570 1.00 44.63 O +ATOM 610 CB LYS B 176 -10.333 44.078 -1.481 1.00 43.52 C +ATOM 611 CG LYS B 176 -9.786 44.749 -2.732 1.00 46.69 C +ATOM 612 CD LYS B 176 -10.916 44.892 -3.755 1.00 50.56 C +ATOM 613 CE LYS B 176 -10.366 45.054 -5.145 1.00 53.30 C +ATOM 614 NZ LYS B 176 -11.434 45.132 -6.179 1.00 55.60 N +ATOM 615 N ALA B 177 -10.248 42.581 1.403 1.00 43.31 N +ATOM 616 CA ALA B 177 -11.074 42.175 2.545 1.00 43.78 C +ATOM 617 C ALA B 177 -10.387 42.516 3.865 1.00 43.82 C +ATOM 618 O ALA B 177 -10.985 42.444 4.934 1.00 42.32 O +ATOM 619 CB ALA B 177 -11.345 40.629 2.477 1.00 43.37 C +ATOM 620 N SER B 178 -9.106 42.842 3.768 1.00 44.48 N +ATOM 621 CA SER B 178 -8.274 43.133 4.920 1.00 45.98 C +ATOM 622 C SER B 178 -8.637 44.457 5.626 1.00 45.47 C +ATOM 623 O SER B 178 -8.165 44.743 6.738 1.00 45.08 O +ATOM 624 CB SER B 178 -6.809 43.162 4.482 1.00 46.85 C +ATOM 625 OG SER B 178 -5.981 42.859 5.583 1.00 51.21 O +ATOM 626 N GLY B 179 -9.483 45.261 4.999 1.00 45.16 N +ATOM 627 CA GLY B 179 -9.912 46.475 5.639 1.00 45.37 C +ATOM 628 C GLY B 179 -8.778 47.485 5.597 1.00 45.62 C +ATOM 629 O GLY B 179 -8.258 47.764 4.509 1.00 45.86 O +ATOM 630 N ASN B 180 -8.402 48.024 6.759 1.00 44.72 N +ATOM 631 CA ASN B 180 -7.545 49.190 6.827 1.00 44.91 C +ATOM 632 C ASN B 180 -6.179 48.884 7.348 1.00 46.05 C +ATOM 633 O ASN B 180 -5.328 49.760 7.360 1.00 45.59 O +ATOM 634 CB ASN B 180 -8.152 50.239 7.743 1.00 44.77 C +ATOM 635 CG ASN B 180 -9.302 50.952 7.117 1.00 43.72 C +ATOM 636 OD1 ASN B 180 -9.372 51.129 5.909 1.00 43.89 O +ATOM 637 ND2 ASN B 180 -10.218 51.368 7.939 1.00 42.98 N +ATOM 638 N VAL B 181 -5.983 47.655 7.816 1.00 46.90 N +ATOM 639 CA VAL B 181 -4.681 47.222 8.306 1.00 47.95 C +ATOM 640 C VAL B 181 -4.284 45.970 7.572 1.00 47.50 C +ATOM 641 O VAL B 181 -5.090 45.058 7.395 1.00 47.31 O +ATOM 642 CB VAL B 181 -4.693 46.920 9.811 1.00 48.33 C +ATOM 643 CG1 VAL B 181 -5.809 45.915 10.137 1.00 51.11 C +ATOM 644 CG2 VAL B 181 -3.346 46.379 10.240 1.00 48.31 C +ATOM 645 N LEU B 182 -3.025 45.939 7.164 1.00 47.87 N +ATOM 646 CA LEU B 182 -2.505 44.890 6.323 1.00 47.85 C +ATOM 647 C LEU B 182 -1.147 44.514 6.878 1.00 47.88 C +ATOM 648 O LEU B 182 -0.224 45.334 6.868 1.00 47.16 O +ATOM 649 CB LEU B 182 -2.408 45.435 4.900 1.00 48.72 C +ATOM 650 CG LEU B 182 -2.423 44.519 3.696 1.00 49.30 C +ATOM 651 CD1 LEU B 182 -3.625 43.575 3.729 1.00 50.49 C +ATOM 652 CD2 LEU B 182 -2.360 45.357 2.391 1.00 47.66 C +ATOM 653 N ARG B 183 -1.036 43.285 7.391 1.00 48.22 N +ATOM 654 CA ARG B 183 0.215 42.807 7.972 1.00 49.46 C +ATOM 655 C ARG B 183 0.924 41.940 6.942 1.00 48.76 C +ATOM 656 O ARG B 183 0.481 40.832 6.701 1.00 49.26 O +ATOM 657 CB ARG B 183 -0.055 41.974 9.236 1.00 50.40 C +ATOM 658 CG ARG B 183 0.773 42.410 10.441 1.00 53.67 C +ATOM 659 CD ARG B 183 1.422 41.232 11.241 1.00 55.88 C +ATOM 660 NE ARG B 183 2.257 41.833 12.275 1.00 56.20 N +ATOM 661 CZ ARG B 183 3.454 41.417 12.690 1.00 55.79 C +ATOM 662 NH1 ARG B 183 4.084 42.131 13.635 1.00 58.74 N +ATOM 663 NH2 ARG B 183 4.027 40.321 12.209 1.00 51.61 N +ATOM 664 N LEU B 184 1.991 42.450 6.321 1.00 47.55 N +ATOM 665 CA LEU B 184 2.656 41.751 5.215 1.00 47.36 C +ATOM 666 C LEU B 184 3.980 41.194 5.683 1.00 46.66 C +ATOM 667 O LEU B 184 4.694 41.858 6.421 1.00 47.22 O +ATOM 668 CB LEU B 184 2.905 42.667 4.014 1.00 46.75 C +ATOM 669 CG LEU B 184 1.675 43.284 3.331 1.00 46.43 C +ATOM 670 CD1 LEU B 184 2.080 44.038 2.053 1.00 46.24 C +ATOM 671 CD2 LEU B 184 0.625 42.214 3.024 1.00 43.21 C +ATOM 672 N GLU B 185 4.268 39.958 5.305 1.00 45.08 N +ATOM 673 CA GLU B 185 5.636 39.431 5.394 1.00 45.20 C +ATOM 674 C GLU B 185 6.186 39.335 3.980 1.00 43.53 C +ATOM 675 O GLU B 185 5.626 38.639 3.127 1.00 42.79 O +ATOM 676 CB GLU B 185 5.645 38.073 6.073 1.00 45.29 C +ATOM 677 CG GLU B 185 5.266 38.155 7.573 1.00 47.82 C +ATOM 678 CD GLU B 185 5.330 36.829 8.301 1.00 49.10 C +ATOM 679 OE1 GLU B 185 5.587 35.786 7.662 1.00 56.63 O +ATOM 680 OE2 GLU B 185 5.126 36.823 9.543 1.00 58.44 O +ATOM 681 N THR B 186 7.237 40.112 3.712 1.00 43.18 N +ATOM 682 CA THR B 186 7.878 40.152 2.408 1.00 42.07 C +ATOM 683 C THR B 186 9.251 39.499 2.551 1.00 41.53 C +ATOM 684 O THR B 186 9.667 39.180 3.650 1.00 41.41 O +ATOM 685 CB THR B 186 7.969 41.615 1.854 1.00 43.09 C +ATOM 686 OG1 THR B 186 8.814 42.411 2.700 1.00 42.89 O +ATOM 687 CG2 THR B 186 6.539 42.266 1.753 1.00 43.23 C +ATOM 688 N LEU B 187 9.924 39.235 1.439 1.00 40.08 N +ATOM 689 CA LEU B 187 11.196 38.543 1.470 1.00 39.44 C +ATOM 690 C LEU B 187 12.307 39.572 1.403 1.00 39.49 C +ATOM 691 O LEU B 187 12.180 40.590 0.762 1.00 39.07 O +ATOM 692 CB LEU B 187 11.313 37.575 0.300 1.00 39.27 C +ATOM 693 CG LEU B 187 10.120 36.656 0.193 1.00 38.53 C +ATOM 694 CD1 LEU B 187 10.296 35.714 -1.022 1.00 39.64 C +ATOM 695 CD2 LEU B 187 9.996 35.888 1.504 1.00 37.61 C +ATOM 696 N TYR B 188 13.396 39.311 2.090 1.00 39.96 N +ATOM 697 CA TYR B 188 14.556 40.189 1.977 1.00 41.34 C +ATOM 698 C TYR B 188 15.210 39.974 0.613 1.00 40.15 C +ATOM 699 O TYR B 188 15.319 38.822 0.148 1.00 38.46 O +ATOM 700 CB TYR B 188 15.567 39.885 3.087 1.00 43.80 C +ATOM 701 CG TYR B 188 15.177 40.470 4.434 1.00 47.32 C +ATOM 702 CD1 TYR B 188 14.665 39.650 5.451 1.00 51.19 C +ATOM 703 CD2 TYR B 188 15.342 41.827 4.705 1.00 50.05 C +ATOM 704 CE1 TYR B 188 14.309 40.161 6.699 1.00 50.95 C +ATOM 705 CE2 TYR B 188 15.004 42.355 5.976 1.00 50.93 C +ATOM 706 CZ TYR B 188 14.480 41.514 6.956 1.00 50.97 C +ATOM 707 OH TYR B 188 14.143 42.013 8.219 1.00 53.01 O +ATOM 708 N SER B 189 15.597 41.086 0.006 1.00 39.13 N +ATOM 709 CA SER B 189 16.352 41.144 -1.246 1.00 39.99 C +ATOM 710 C SER B 189 17.846 41.320 -1.000 1.00 39.24 C +ATOM 711 O SER B 189 18.257 42.035 -0.094 1.00 40.13 O +ATOM 712 CB SER B 189 15.885 42.323 -2.103 1.00 39.52 C +ATOM 713 OG SER B 189 14.514 42.173 -2.455 1.00 42.57 O +ATOM 714 N SER B 190 18.657 40.676 -1.825 1.00 37.79 N +ATOM 715 CA SER B 190 20.100 40.842 -1.759 1.00 36.56 C +ATOM 716 C SER B 190 20.616 41.215 -3.123 1.00 36.64 C +ATOM 717 O SER B 190 20.181 40.665 -4.120 1.00 36.18 O +ATOM 718 CB SER B 190 20.754 39.561 -1.309 1.00 36.60 C +ATOM 719 OG SER B 190 20.376 39.262 0.011 1.00 34.83 O +ATOM 720 N THR B 191 21.519 42.175 -3.163 1.00 36.21 N +ATOM 721 CA THR B 191 22.108 42.636 -4.403 1.00 37.33 C +ATOM 722 C THR B 191 23.410 41.896 -4.692 1.00 37.26 C +ATOM 723 O THR B 191 24.208 41.665 -3.782 1.00 38.44 O +ATOM 724 CB THR B 191 22.374 44.141 -4.324 1.00 36.87 C +ATOM 725 OG1 THR B 191 21.125 44.767 -4.052 1.00 38.93 O +ATOM 726 CG2 THR B 191 22.901 44.668 -5.624 1.00 38.12 C +ATOM 727 N LEU B 192 23.602 41.508 -5.955 1.00 36.84 N +ATOM 728 CA LEU B 192 24.778 40.767 -6.387 1.00 36.40 C +ATOM 729 C LEU B 192 25.372 41.437 -7.618 1.00 36.25 C +ATOM 730 O LEU B 192 26.559 41.230 -7.916 1.00 36.57 O +ATOM 731 CB LEU B 192 24.421 39.303 -6.675 1.00 36.12 C +ATOM 732 CG LEU B 192 24.159 38.341 -5.506 1.00 35.89 C +ATOM 733 CD1 LEU B 192 25.296 38.362 -4.445 1.00 36.30 C +ATOM 734 CD2 LEU B 192 22.851 38.636 -4.874 1.00 37.01 C +ATOM 735 OXT LEU B 192 24.718 42.243 -8.301 1.00 35.70 O Added: SwiftApps/modFTdock/input/indata/2rii-2.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2rii-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2rii-2.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,820 @@ +ATOM 1 N SER X 32 -33.309 14.782 -20.125 1.00 43.15 N +ATOM 2 CA SER X 32 -32.744 15.282 -21.417 1.00 43.27 C +ATOM 3 C SER X 32 -33.712 14.941 -22.548 1.00 43.50 C +ATOM 4 O SER X 32 -33.828 13.787 -22.951 1.00 43.36 O +ATOM 5 CB SER X 32 -31.338 14.697 -21.697 1.00 43.22 C +ATOM 6 OG SER X 32 -30.270 15.484 -21.163 1.00 41.92 O +ATOM 7 N ILE X 33 -34.421 15.959 -23.030 1.00 44.05 N +ATOM 8 CA ILE X 33 -35.338 15.844 -24.179 1.00 44.43 C +ATOM 9 C ILE X 33 -34.592 15.605 -25.524 1.00 44.84 C +ATOM 10 O ILE X 33 -35.089 14.900 -26.407 1.00 44.99 O +ATOM 11 CB ILE X 33 -36.339 17.083 -24.238 1.00 44.44 C +ATOM 12 CG1 ILE X 33 -37.412 16.915 -25.333 1.00 44.31 C +ATOM 13 CG2 ILE X 33 -35.580 18.443 -24.328 1.00 44.81 C +ATOM 14 CD1 ILE X 33 -38.511 17.983 -25.338 1.00 43.93 C +ATOM 15 N HIS X 34 -33.386 16.162 -25.638 1.00 45.21 N +ATOM 16 CA HIS X 34 -32.608 16.220 -26.888 1.00 45.51 C +ATOM 17 C HIS X 34 -31.456 15.192 -26.992 1.00 45.04 C +ATOM 18 O HIS X 34 -31.582 14.059 -26.538 1.00 44.93 O +ATOM 19 CB HIS X 34 -32.068 17.665 -27.091 1.00 46.16 C +ATOM 20 CG HIS X 34 -31.310 18.224 -25.907 1.00 47.64 C +ATOM 21 ND1 HIS X 34 -31.931 18.879 -24.859 1.00 48.08 N +ATOM 22 CD2 HIS X 34 -29.982 18.242 -25.620 1.00 47.96 C +ATOM 23 CE1 HIS X 34 -31.023 19.256 -23.972 1.00 48.03 C +ATOM 24 NE2 HIS X 34 -29.833 18.884 -24.411 1.00 48.14 N +ATOM 25 N SER X 35 -30.372 15.622 -27.644 1.00 44.71 N +ATOM 26 CA SER X 35 -29.039 14.990 -27.720 1.00 44.48 C +ATOM 27 C SER X 35 -28.267 15.810 -28.781 1.00 44.65 C +ATOM 28 O SER X 35 -28.879 16.326 -29.720 1.00 44.58 O +ATOM 29 CB SER X 35 -29.088 13.494 -28.094 1.00 44.57 C +ATOM 30 OG SER X 35 -29.207 12.635 -26.964 1.00 43.44 O +ATOM 31 N GLY X 36 -26.949 15.959 -28.639 1.00 44.68 N +ATOM 32 CA GLY X 36 -26.161 16.746 -29.610 1.00 44.56 C +ATOM 33 C GLY X 36 -24.926 16.036 -30.148 1.00 44.50 C +ATOM 34 O GLY X 36 -23.817 16.587 -30.097 1.00 44.68 O +ATOM 35 N ARG X 37 -25.115 14.827 -30.685 1.00 44.27 N +ATOM 36 CA ARG X 37 -23.990 13.920 -31.010 1.00 44.35 C +ATOM 37 C ARG X 37 -23.405 14.170 -32.418 1.00 43.84 C +ATOM 38 O ARG X 37 -24.098 14.749 -33.259 1.00 44.01 O +ATOM 39 CB ARG X 37 -24.381 12.433 -30.811 1.00 44.62 C +ATOM 40 CG ARG X 37 -25.013 12.017 -29.435 1.00 45.81 C +ATOM 41 CD ARG X 37 -24.913 13.082 -28.302 1.00 47.94 C +ATOM 42 NE ARG X 37 -23.565 13.252 -27.742 1.00 48.26 N +ATOM 43 CZ ARG X 37 -23.262 13.201 -26.443 1.00 48.27 C +ATOM 44 NH1 ARG X 37 -24.205 13.007 -25.526 1.00 47.78 N +ATOM 45 NH2 ARG X 37 -22.002 13.358 -26.055 1.00 48.52 N +ATOM 46 N ILE X 38 -22.167 13.730 -32.704 1.00 43.20 N +ATOM 47 CA ILE X 38 -21.359 12.805 -31.864 1.00 42.08 C +ATOM 48 C ILE X 38 -19.939 13.296 -31.426 1.00 41.73 C +ATOM 49 O ILE X 38 -19.047 12.456 -31.209 1.00 41.85 O +ATOM 50 CB ILE X 38 -21.196 11.360 -32.542 1.00 42.54 C +ATOM 51 CG1 ILE X 38 -22.137 11.143 -33.746 1.00 42.75 C +ATOM 52 CG2 ILE X 38 -21.314 10.223 -31.497 1.00 42.55 C +ATOM 53 CD1 ILE X 38 -21.879 9.831 -34.531 1.00 42.09 C +ATOM 54 N ALA X 39 -19.710 14.613 -31.291 1.00 40.64 N +ATOM 55 CA ALA X 39 -18.385 15.118 -30.816 1.00 39.62 C +ATOM 56 C ALA X 39 -18.128 16.646 -30.791 1.00 37.82 C +ATOM 57 O ALA X 39 -17.022 17.087 -31.108 1.00 37.94 O +ATOM 58 CB ALA X 39 -17.204 14.387 -31.571 1.00 39.35 C +ATOM 59 N ALA X 40 -19.108 17.454 -30.396 1.00 35.70 N +ATOM 60 CA ALA X 40 -18.895 18.913 -30.330 1.00 33.56 C +ATOM 61 C ALA X 40 -18.015 19.367 -29.133 1.00 32.08 C +ATOM 62 O ALA X 40 -18.189 18.895 -28.001 1.00 31.62 O +ATOM 63 CB ALA X 40 -20.245 19.650 -30.333 1.00 33.68 C +ATOM 64 N VAL X 41 -17.079 20.284 -29.386 1.00 30.15 N +ATOM 65 CA VAL X 41 -16.217 20.818 -28.316 1.00 28.31 C +ATOM 66 C VAL X 41 -16.603 22.232 -27.860 1.00 27.08 C +ATOM 67 O VAL X 41 -16.783 23.131 -28.698 1.00 27.60 O +ATOM 68 CB VAL X 41 -14.742 20.816 -28.706 1.00 28.27 C +ATOM 69 CG1 VAL X 41 -13.898 21.332 -27.531 1.00 28.61 C +ATOM 70 CG2 VAL X 41 -14.308 19.432 -29.100 1.00 27.57 C +ATOM 71 N HIS X 42 -16.704 22.424 -26.540 1.00 24.78 N +ATOM 72 CA HIS X 42 -17.166 23.687 -25.929 1.00 22.88 C +ATOM 73 C HIS X 42 -16.155 24.280 -24.908 1.00 22.21 C +ATOM 74 O HIS X 42 -15.373 23.555 -24.265 1.00 22.12 O +ATOM 75 CB HIS X 42 -18.514 23.477 -25.217 1.00 22.38 C +ATOM 76 CG HIS X 42 -19.652 23.146 -26.133 1.00 20.78 C +ATOM 77 ND1 HIS X 42 -20.637 24.053 -26.454 1.00 20.69 N +ATOM 78 CD2 HIS X 42 -19.971 22.005 -26.787 1.00 20.38 C +ATOM 79 CE1 HIS X 42 -21.505 23.493 -27.282 1.00 19.45 C +ATOM 80 NE2 HIS X 42 -21.122 22.250 -27.500 1.00 19.61 N +ATOM 81 N ASN X 43 -16.185 25.597 -24.748 1.00 20.90 N +ATOM 82 CA ASN X 43 -15.350 26.258 -23.773 1.00 19.90 C +ATOM 83 C ASN X 43 -16.204 26.388 -22.554 1.00 19.41 C +ATOM 84 O ASN X 43 -17.100 27.233 -22.525 1.00 20.17 O +ATOM 85 CB ASN X 43 -14.926 27.633 -24.278 1.00 19.65 C +ATOM 86 CG ASN X 43 -14.089 27.556 -25.538 1.00 19.79 C +ATOM 87 OD1 ASN X 43 -12.928 27.162 -25.502 1.00 20.24 O +ATOM 88 ND2 ASN X 43 -14.675 27.940 -26.659 1.00 19.41 N +ATOM 89 N VAL X 44 -15.980 25.538 -21.559 1.00 18.39 N +ATOM 90 CA VAL X 44 -16.933 25.474 -20.434 1.00 18.03 C +ATOM 91 C VAL X 44 -16.294 26.039 -19.191 1.00 17.52 C +ATOM 92 O VAL X 44 -15.115 25.804 -18.963 1.00 17.79 O +ATOM 93 CB VAL X 44 -17.634 24.047 -20.254 1.00 17.86 C +ATOM 94 CG1 VAL X 44 -16.872 22.963 -20.940 1.00 16.31 C +ATOM 95 CG2 VAL X 44 -17.901 23.693 -18.785 1.00 18.58 C +ATOM 96 N PRO X 45 -17.047 26.854 -18.436 1.00 17.05 N +ATOM 97 CA PRO X 45 -16.492 27.644 -17.353 1.00 16.74 C +ATOM 98 C PRO X 45 -16.188 26.748 -16.192 1.00 17.30 C +ATOM 99 O PRO X 45 -17.026 25.891 -15.846 1.00 17.12 O +ATOM 100 CB PRO X 45 -17.638 28.569 -16.965 1.00 15.97 C +ATOM 101 CG PRO X 45 -18.577 28.494 -18.062 1.00 16.02 C +ATOM 102 CD PRO X 45 -18.480 27.111 -18.581 1.00 16.76 C +ATOM 103 N LEU X 46 -15.001 26.941 -15.598 1.00 17.49 N +ATOM 104 CA LEU X 46 -14.601 26.169 -14.421 1.00 17.43 C +ATOM 105 C LEU X 46 -15.557 26.432 -13.258 1.00 17.79 C +ATOM 106 O LEU X 46 -15.787 25.557 -12.443 1.00 17.90 O +ATOM 107 CB LEU X 46 -13.175 26.492 -13.985 1.00 17.15 C +ATOM 108 CG LEU X 46 -11.888 26.288 -14.785 1.00 16.61 C +ATOM 109 CD1 LEU X 46 -10.915 25.881 -13.756 1.00 17.81 C +ATOM 110 CD2 LEU X 46 -11.904 25.216 -15.840 1.00 16.29 C +ATOM 111 N SER X 47 -16.139 27.626 -13.212 1.00 18.17 N +ATOM 112 CA SER X 47 -17.002 28.019 -12.084 1.00 18.55 C +ATOM 113 C SER X 47 -18.281 27.165 -11.983 1.00 18.70 C +ATOM 114 O SER X 47 -19.052 27.297 -11.008 1.00 18.34 O +ATOM 115 CB SER X 47 -17.361 29.514 -12.163 1.00 17.83 C +ATOM 116 OG SER X 47 -18.608 29.707 -12.797 1.00 17.35 O +ATOM 117 N VAL X 48 -18.457 26.295 -12.985 1.00 18.42 N +ATOM 118 CA VAL X 48 -19.707 25.580 -13.277 1.00 18.49 C +ATOM 119 C VAL X 48 -19.498 24.052 -13.162 1.00 18.77 C +ATOM 120 O VAL X 48 -20.464 23.260 -13.078 1.00 19.51 O +ATOM 121 CB VAL X 48 -20.227 26.035 -14.716 1.00 18.53 C +ATOM 122 CG1 VAL X 48 -20.756 24.927 -15.536 1.00 16.82 C +ATOM 123 CG2 VAL X 48 -21.211 27.208 -14.623 1.00 18.32 C +ATOM 124 N LEU X 49 -18.231 23.644 -13.153 1.00 18.28 N +ATOM 125 CA LEU X 49 -17.866 22.244 -12.957 1.00 17.75 C +ATOM 126 C LEU X 49 -17.835 21.795 -11.502 1.00 17.25 C +ATOM 127 O LEU X 49 -17.099 22.354 -10.678 1.00 17.58 O +ATOM 128 CB LEU X 49 -16.500 21.958 -13.565 1.00 17.72 C +ATOM 129 CG LEU X 49 -16.445 22.031 -15.072 1.00 17.79 C +ATOM 130 CD1 LEU X 49 -15.129 21.488 -15.540 1.00 19.79 C +ATOM 131 CD2 LEU X 49 -17.599 21.276 -15.672 1.00 17.84 C +ATOM 132 N ILE X 50 -18.627 20.773 -11.209 1.00 16.51 N +ATOM 133 CA ILE X 50 -18.622 20.103 -9.932 1.00 16.12 C +ATOM 134 C ILE X 50 -17.593 19.005 -10.051 1.00 16.84 C +ATOM 135 O ILE X 50 -17.691 18.153 -10.939 1.00 17.01 O +ATOM 136 CB ILE X 50 -19.961 19.457 -9.672 1.00 15.74 C +ATOM 137 CG1 ILE X 50 -21.066 20.511 -9.716 1.00 15.16 C +ATOM 138 CG2 ILE X 50 -19.936 18.714 -8.354 1.00 15.17 C +ATOM 139 CD1 ILE X 50 -22.329 20.048 -10.402 1.00 13.15 C +ATOM 140 N ARG X 51 -16.597 19.042 -9.170 1.00 17.51 N +ATOM 141 CA ARG X 51 -15.505 18.085 -9.171 1.00 17.73 C +ATOM 142 C ARG X 51 -15.528 17.325 -7.857 1.00 17.96 C +ATOM 143 O ARG X 51 -14.691 17.585 -6.991 1.00 18.52 O +ATOM 144 CB ARG X 51 -14.179 18.816 -9.289 1.00 18.13 C +ATOM 145 CG ARG X 51 -13.607 18.927 -10.690 1.00 19.83 C +ATOM 146 CD ARG X 51 -12.118 18.434 -10.690 1.00 22.06 C +ATOM 147 NE ARG X 51 -11.864 17.631 -11.890 1.00 24.89 N +ATOM 148 CZ ARG X 51 -11.099 16.540 -11.930 1.00 27.35 C +ATOM 149 NH1 ARG X 51 -10.469 16.111 -10.835 1.00 28.62 N +ATOM 150 NH2 ARG X 51 -10.959 15.870 -13.070 1.00 27.91 N +ATOM 151 N PRO X 52 -16.478 16.384 -7.705 1.00 17.79 N +ATOM 152 CA PRO X 52 -16.777 15.796 -6.417 1.00 17.92 C +ATOM 153 C PRO X 52 -15.756 14.800 -5.870 1.00 18.71 C +ATOM 154 O PRO X 52 -15.804 14.463 -4.692 1.00 18.49 O +ATOM 155 CB PRO X 52 -18.122 15.108 -6.670 1.00 17.97 C +ATOM 156 CG PRO X 52 -18.107 14.757 -8.068 1.00 17.63 C +ATOM 157 CD PRO X 52 -17.342 15.828 -8.766 1.00 17.75 C +ATOM 158 N LEU X 53 -14.845 14.320 -6.703 1.00 20.35 N +ATOM 159 CA LEU X 53 -13.897 13.306 -6.263 1.00 21.49 C +ATOM 160 C LEU X 53 -12.537 13.869 -5.886 1.00 22.94 C +ATOM 161 O LEU X 53 -11.914 14.611 -6.667 1.00 23.06 O +ATOM 162 CB LEU X 53 -13.702 12.249 -7.330 1.00 21.38 C +ATOM 163 CG LEU X 53 -14.901 11.373 -7.663 1.00 22.36 C +ATOM 164 CD1 LEU X 53 -14.470 10.402 -8.728 1.00 21.98 C +ATOM 165 CD2 LEU X 53 -15.461 10.646 -6.437 1.00 21.95 C +ATOM 166 N PRO X 54 -12.059 13.476 -4.696 1.00 24.01 N +ATOM 167 CA PRO X 54 -10.758 13.796 -4.140 1.00 25.12 C +ATOM 168 C PRO X 54 -9.620 13.511 -5.126 1.00 26.46 C +ATOM 169 O PRO X 54 -9.311 12.356 -5.433 1.00 26.61 O +ATOM 170 CB PRO X 54 -10.665 12.863 -2.943 1.00 25.11 C +ATOM 171 CG PRO X 54 -12.075 12.680 -2.534 1.00 24.70 C +ATOM 172 CD PRO X 54 -12.837 12.608 -3.794 1.00 24.02 C +ATOM 173 N SER X 55 -9.022 14.579 -5.634 1.00 27.58 N +ATOM 174 CA SER X 55 -7.902 14.449 -6.534 1.00 28.88 C +ATOM 175 C SER X 55 -6.711 13.875 -5.770 1.00 29.05 C +ATOM 176 O SER X 55 -6.502 14.221 -4.610 1.00 29.35 O +ATOM 177 CB SER X 55 -7.551 15.835 -7.108 1.00 29.59 C +ATOM 178 OG SER X 55 -8.538 16.304 -8.039 1.00 30.77 O +ATOM 179 N VAL X 56 -5.959 12.981 -6.401 1.00 29.05 N +ATOM 180 CA VAL X 56 -4.603 12.638 -5.927 1.00 29.03 C +ATOM 181 C VAL X 56 -3.589 12.856 -7.069 1.00 28.88 C +ATOM 182 O VAL X 56 -3.578 12.118 -8.072 1.00 28.81 O +ATOM 183 CB VAL X 56 -4.510 11.198 -5.326 1.00 29.21 C +ATOM 184 CG1 VAL X 56 -5.212 10.145 -6.237 1.00 29.84 C +ATOM 185 CG2 VAL X 56 -3.047 10.825 -5.013 1.00 28.59 C +ATOM 186 N LEU X 57 -2.749 13.878 -6.924 1.00 28.35 N +ATOM 187 CA LEU X 57 -2.010 14.385 -8.074 1.00 27.76 C +ATOM 188 C LEU X 57 -0.507 14.223 -7.961 1.00 27.52 C +ATOM 189 O LEU X 57 0.083 14.543 -6.925 1.00 27.38 O +ATOM 190 CB LEU X 57 -2.347 15.856 -8.283 1.00 27.91 C +ATOM 191 CG LEU X 57 -3.829 16.246 -8.291 1.00 28.13 C +ATOM 192 CD1 LEU X 57 -4.005 17.712 -7.905 1.00 28.88 C +ATOM 193 CD2 LEU X 57 -4.507 15.937 -9.642 1.00 28.27 C +ATOM 194 N ASP X 58 0.101 13.721 -9.037 1.00 27.28 N +ATOM 195 CA ASP X 58 1.551 13.783 -9.221 1.00 26.79 C +ATOM 196 C ASP X 58 1.939 15.222 -9.579 1.00 26.15 C +ATOM 197 O ASP X 58 1.668 15.661 -10.695 1.00 26.02 O +ATOM 198 CB ASP X 58 1.980 12.832 -10.338 1.00 26.69 C +ATOM 199 CG ASP X 58 3.424 13.065 -10.792 1.00 27.38 C +ATOM 200 OD1 ASP X 58 4.222 13.689 -10.040 1.00 25.47 O +ATOM 201 OD2 ASP X 58 3.754 12.612 -11.915 1.00 27.99 O +ATOM 202 N PRO X 59 2.592 15.954 -8.647 1.00 25.76 N +ATOM 203 CA PRO X 59 2.761 17.409 -8.836 1.00 25.34 C +ATOM 204 C PRO X 59 3.629 17.726 -10.050 1.00 24.76 C +ATOM 205 O PRO X 59 3.361 18.671 -10.773 1.00 24.40 O +ATOM 206 CB PRO X 59 3.462 17.872 -7.550 1.00 25.29 C +ATOM 207 CG PRO X 59 3.391 16.716 -6.596 1.00 25.79 C +ATOM 208 CD PRO X 59 3.254 15.475 -7.422 1.00 25.89 C +ATOM 209 N ALA X 60 4.651 16.913 -10.265 1.00 24.69 N +ATOM 210 CA ALA X 60 5.549 17.065 -11.394 1.00 24.67 C +ATOM 211 C ALA X 60 4.822 16.920 -12.733 1.00 24.55 C +ATOM 212 O ALA X 60 5.219 17.540 -13.728 1.00 24.26 O +ATOM 213 CB ALA X 60 6.721 16.074 -11.282 1.00 24.40 C +ATOM 214 N LYS X 61 3.765 16.111 -12.755 1.00 24.53 N +ATOM 215 CA LYS X 61 2.957 15.972 -13.963 1.00 24.81 C +ATOM 216 C LYS X 61 2.051 17.170 -14.129 1.00 24.37 C +ATOM 217 O LYS X 61 1.881 17.667 -15.242 1.00 24.84 O +ATOM 218 CB LYS X 61 2.141 14.683 -13.981 1.00 25.12 C +ATOM 219 CG LYS X 61 1.204 14.611 -15.191 1.00 28.07 C +ATOM 220 CD LYS X 61 1.074 13.215 -15.806 1.00 32.70 C +ATOM 221 CE LYS X 61 2.027 13.040 -16.993 1.00 34.96 C +ATOM 222 NZ LYS X 61 1.874 11.694 -17.634 1.00 36.89 N +ATOM 223 N VAL X 62 1.464 17.629 -13.030 1.00 23.97 N +ATOM 224 CA VAL X 62 0.736 18.889 -13.046 1.00 23.84 C +ATOM 225 C VAL X 62 1.690 19.973 -13.566 1.00 24.44 C +ATOM 226 O VAL X 62 1.458 20.512 -14.651 1.00 24.79 O +ATOM 227 CB VAL X 62 0.078 19.264 -11.669 1.00 23.75 C +ATOM 228 CG1 VAL X 62 -0.662 20.576 -11.781 1.00 23.57 C +ATOM 229 CG2 VAL X 62 -0.898 18.185 -11.198 1.00 21.92 C +ATOM 230 N GLN X 63 2.779 20.251 -12.837 1.00 24.85 N +ATOM 231 CA GLN X 63 3.792 21.238 -13.277 1.00 24.82 C +ATOM 232 C GLN X 63 4.161 21.155 -14.761 1.00 24.49 C +ATOM 233 O GLN X 63 4.447 22.175 -15.375 1.00 24.83 O +ATOM 234 CB GLN X 63 5.073 21.191 -12.419 1.00 25.04 C +ATOM 235 CG GLN X 63 4.999 21.818 -10.993 1.00 27.04 C +ATOM 236 CD GLN X 63 4.340 23.220 -10.936 1.00 30.24 C +ATOM 237 OE1 GLN X 63 4.968 24.252 -11.236 1.00 29.39 O +ATOM 238 NE2 GLN X 63 3.065 23.248 -10.521 1.00 31.76 N +ATOM 239 N SER X 64 4.144 19.955 -15.336 1.00 24.45 N +ATOM 240 CA SER X 64 4.482 19.750 -16.757 1.00 24.33 C +ATOM 241 C SER X 64 3.350 20.110 -17.737 1.00 24.29 C +ATOM 242 O SER X 64 3.552 20.847 -18.718 1.00 24.44 O +ATOM 243 CB SER X 64 4.910 18.304 -16.986 1.00 24.61 C +ATOM 244 OG SER X 64 5.736 18.197 -18.135 1.00 25.14 O +ATOM 245 N LEU X 65 2.163 19.570 -17.479 1.00 23.58 N +ATOM 246 CA LEU X 65 0.983 19.951 -18.227 1.00 22.71 C +ATOM 247 C LEU X 65 0.755 21.460 -18.279 1.00 22.41 C +ATOM 248 O LEU X 65 0.221 21.968 -19.264 1.00 22.61 O +ATOM 249 CB LEU X 65 -0.243 19.271 -17.648 1.00 22.65 C +ATOM 250 CG LEU X 65 -0.529 17.935 -18.289 1.00 21.82 C +ATOM 251 CD1 LEU X 65 -1.737 17.315 -17.630 1.00 21.28 C +ATOM 252 CD2 LEU X 65 -0.752 18.145 -19.777 1.00 21.78 C +ATOM 253 N VAL X 66 1.149 22.175 -17.229 1.00 21.72 N +ATOM 254 CA VAL X 66 1.021 23.634 -17.229 1.00 21.32 C +ATOM 255 C VAL X 66 1.848 24.242 -18.356 1.00 21.29 C +ATOM 256 O VAL X 66 1.342 25.033 -19.137 1.00 20.84 O +ATOM 257 CB VAL X 66 1.412 24.253 -15.877 1.00 21.05 C +ATOM 258 CG1 VAL X 66 1.333 25.759 -15.931 1.00 20.31 C +ATOM 259 CG2 VAL X 66 0.501 23.741 -14.799 1.00 20.80 C +ATOM 260 N ASP X 67 3.111 23.836 -18.442 1.00 21.72 N +ATOM 261 CA ASP X 67 3.999 24.255 -19.525 1.00 22.07 C +ATOM 262 C ASP X 67 3.355 23.985 -20.906 1.00 22.12 C +ATOM 263 O ASP X 67 3.398 24.846 -21.790 1.00 22.32 O +ATOM 264 CB ASP X 67 5.382 23.572 -19.398 1.00 22.02 C +ATOM 265 CG ASP X 67 6.352 24.294 -18.409 1.00 23.04 C +ATOM 266 OD1 ASP X 67 6.158 25.479 -18.033 1.00 22.42 O +ATOM 267 OD2 ASP X 67 7.359 23.657 -18.019 1.00 26.20 O +ATOM 268 N THR X 68 2.726 22.819 -21.070 1.00 21.96 N +ATOM 269 CA THR X 68 2.120 22.427 -22.363 1.00 21.97 C +ATOM 270 C THR X 68 0.869 23.251 -22.751 1.00 22.00 C +ATOM 271 O THR X 68 0.658 23.587 -23.925 1.00 22.23 O +ATOM 272 CB THR X 68 1.811 20.888 -22.426 1.00 21.89 C +ATOM 273 OG1 THR X 68 2.922 20.141 -21.906 1.00 22.41 O +ATOM 274 CG2 THR X 68 1.546 20.431 -23.845 1.00 20.80 C +ATOM 275 N ILE X 69 0.037 23.575 -21.773 1.00 21.62 N +ATOM 276 CA ILE X 69 -1.156 24.351 -22.059 1.00 21.17 C +ATOM 277 C ILE X 69 -0.787 25.803 -22.412 1.00 21.75 C +ATOM 278 O ILE X 69 -1.377 26.427 -23.308 1.00 21.98 O +ATOM 279 CB ILE X 69 -2.122 24.275 -20.894 1.00 20.54 C +ATOM 280 CG1 ILE X 69 -2.569 22.821 -20.710 1.00 20.77 C +ATOM 281 CG2 ILE X 69 -3.307 25.189 -21.123 1.00 19.34 C +ATOM 282 CD1 ILE X 69 -3.194 22.541 -19.370 1.00 18.98 C +ATOM 283 N ARG X 70 0.210 26.335 -21.727 1.00 21.66 N +ATOM 284 CA ARG X 70 0.619 27.678 -22.011 1.00 22.29 C +ATOM 285 C ARG X 70 1.049 27.804 -23.453 1.00 22.60 C +ATOM 286 O ARG X 70 0.687 28.759 -24.130 1.00 22.28 O +ATOM 287 CB ARG X 70 1.782 28.075 -21.120 1.00 22.11 C +ATOM 288 CG ARG X 70 2.458 29.335 -21.584 1.00 23.52 C +ATOM 289 CD ARG X 70 3.576 29.711 -20.699 1.00 25.30 C +ATOM 290 NE ARG X 70 3.126 29.550 -19.335 1.00 27.57 N +ATOM 291 CZ ARG X 70 3.589 28.627 -18.505 1.00 28.14 C +ATOM 292 NH1 ARG X 70 4.549 27.794 -18.915 1.00 26.44 N +ATOM 293 NH2 ARG X 70 3.092 28.564 -17.266 1.00 27.81 N +ATOM 294 N GLU X 71 1.821 26.828 -23.909 1.00 23.45 N +ATOM 295 CA GLU X 71 2.649 27.016 -25.084 1.00 24.57 C +ATOM 296 C GLU X 71 2.174 26.203 -26.267 1.00 24.90 C +ATOM 297 O GLU X 71 2.503 26.516 -27.408 1.00 24.84 O +ATOM 298 CB GLU X 71 4.128 26.723 -24.757 1.00 24.71 C +ATOM 299 CG GLU X 71 4.751 27.670 -23.708 1.00 26.68 C +ATOM 300 CD GLU X 71 5.141 29.068 -24.253 1.00 30.70 C +ATOM 301 OE1 GLU X 71 4.402 30.071 -24.040 1.00 31.05 O +ATOM 302 OE2 GLU X 71 6.212 29.171 -24.892 1.00 33.27 O +ATOM 303 N ASP X 72 1.402 25.157 -25.994 1.00 25.57 N +ATOM 304 CA ASP X 72 0.874 24.309 -27.056 1.00 25.89 C +ATOM 305 C ASP X 72 -0.490 23.735 -26.691 1.00 25.86 C +ATOM 306 O ASP X 72 -0.618 22.536 -26.455 1.00 25.70 O +ATOM 307 CB ASP X 72 1.855 23.195 -27.369 1.00 25.81 C +ATOM 308 CG ASP X 72 1.541 22.507 -28.673 1.00 27.25 C +ATOM 309 OD1 ASP X 72 2.075 21.391 -28.901 1.00 29.28 O +ATOM 310 OD2 ASP X 72 0.772 23.086 -29.475 1.00 26.79 O +ATOM 311 N PRO X 73 -1.522 24.592 -26.670 1.00 26.06 N +ATOM 312 CA PRO X 73 -2.805 24.212 -26.061 1.00 26.22 C +ATOM 313 C PRO X 73 -3.596 23.194 -26.878 1.00 26.59 C +ATOM 314 O PRO X 73 -4.303 22.359 -26.312 1.00 26.63 O +ATOM 315 CB PRO X 73 -3.564 25.541 -25.957 1.00 25.93 C +ATOM 316 CG PRO X 73 -2.957 26.425 -26.989 1.00 26.37 C +ATOM 317 CD PRO X 73 -1.542 25.951 -27.243 1.00 25.98 C +ATOM 318 N ASP X 74 -3.467 23.257 -28.199 1.00 27.41 N +ATOM 319 CA ASP X 74 -4.179 22.346 -29.095 1.00 27.97 C +ATOM 320 C ASP X 74 -3.760 20.883 -28.912 1.00 27.63 C +ATOM 321 O ASP X 74 -4.527 19.973 -29.234 1.00 27.92 O +ATOM 322 CB ASP X 74 -3.959 22.731 -30.557 1.00 28.68 C +ATOM 323 CG ASP X 74 -3.877 24.235 -30.779 1.00 31.08 C +ATOM 324 OD1 ASP X 74 -3.286 24.962 -29.932 1.00 33.78 O +ATOM 325 OD2 ASP X 74 -4.370 24.679 -31.841 1.00 32.09 O +ATOM 326 N SER X 75 -2.549 20.653 -28.408 1.00 26.78 N +ATOM 327 CA SER X 75 -2.052 19.286 -28.241 1.00 26.22 C +ATOM 328 C SER X 75 -2.565 18.617 -26.976 1.00 25.50 C +ATOM 329 O SER X 75 -2.159 17.507 -26.662 1.00 25.13 O +ATOM 330 CB SER X 75 -0.529 19.277 -28.219 1.00 26.62 C +ATOM 331 OG SER X 75 -0.031 20.066 -27.143 1.00 27.20 O +ATOM 332 N VAL X 76 -3.422 19.318 -26.237 1.00 24.69 N +ATOM 333 CA VAL X 76 -4.010 18.790 -25.017 1.00 23.88 C +ATOM 334 C VAL X 76 -5.463 18.474 -25.280 1.00 23.32 C +ATOM 335 O VAL X 76 -6.269 19.380 -25.479 1.00 24.09 O +ATOM 336 CB VAL X 76 -3.906 19.788 -23.870 1.00 23.70 C +ATOM 337 CG1 VAL X 76 -5.008 19.567 -22.864 1.00 23.18 C +ATOM 338 CG2 VAL X 76 -2.566 19.655 -23.200 1.00 24.31 C +ATOM 339 N PRO X 77 -5.812 17.187 -25.277 1.00 22.64 N +ATOM 340 CA PRO X 77 -7.163 16.797 -25.649 1.00 22.06 C +ATOM 341 C PRO X 77 -8.149 17.254 -24.584 1.00 21.88 C +ATOM 342 O PRO X 77 -7.852 17.154 -23.398 1.00 21.90 O +ATOM 343 CB PRO X 77 -7.081 15.271 -25.682 1.00 21.80 C +ATOM 344 CG PRO X 77 -6.012 14.924 -24.714 1.00 21.74 C +ATOM 345 CD PRO X 77 -4.988 16.023 -24.896 1.00 23.01 C +ATOM 346 N PRO X 78 -9.325 17.748 -24.998 1.00 21.61 N +ATOM 347 CA PRO X 78 -10.419 18.179 -24.102 1.00 21.32 C +ATOM 348 C PRO X 78 -10.899 17.107 -23.081 1.00 21.17 C +ATOM 349 O PRO X 78 -10.801 15.910 -23.338 1.00 21.55 O +ATOM 350 CB PRO X 78 -11.545 18.484 -25.073 1.00 21.09 C +ATOM 351 CG PRO X 78 -11.140 17.804 -26.359 1.00 21.33 C +ATOM 352 CD PRO X 78 -9.686 17.894 -26.413 1.00 21.39 C +ATOM 353 N ILE X 79 -11.401 17.539 -21.933 1.00 20.50 N +ATOM 354 CA ILE X 79 -11.890 16.619 -20.927 1.00 19.99 C +ATOM 355 C ILE X 79 -13.344 16.228 -21.203 1.00 20.64 C +ATOM 356 O ILE X 79 -14.018 16.835 -22.064 1.00 20.88 O +ATOM 357 CB ILE X 79 -11.806 17.216 -19.518 1.00 19.90 C +ATOM 358 CG1 ILE X 79 -12.643 18.507 -19.449 1.00 19.32 C +ATOM 359 CG2 ILE X 79 -10.334 17.333 -19.086 1.00 18.84 C +ATOM 360 CD1 ILE X 79 -13.043 19.000 -18.059 1.00 19.37 C +ATOM 361 N ASP X 80 -13.815 15.217 -20.471 1.00 20.55 N +ATOM 362 CA ASP X 80 -15.183 14.716 -20.616 1.00 20.88 C +ATOM 363 C ASP X 80 -15.985 15.251 -19.482 1.00 20.56 C +ATOM 364 O ASP X 80 -15.605 15.060 -18.333 1.00 21.07 O +ATOM 365 CB ASP X 80 -15.230 13.179 -20.577 1.00 20.94 C +ATOM 366 CG ASP X 80 -14.769 12.537 -21.888 1.00 21.60 C +ATOM 367 OD1 ASP X 80 -15.011 13.113 -22.976 1.00 22.62 O +ATOM 368 OD2 ASP X 80 -14.159 11.455 -21.831 1.00 23.43 O +ATOM 369 N VAL X 81 -17.086 15.925 -19.803 1.00 20.20 N +ATOM 370 CA VAL X 81 -17.958 16.497 -18.785 1.00 19.85 C +ATOM 371 C VAL X 81 -19.376 15.922 -18.864 1.00 19.95 C +ATOM 372 O VAL X 81 -20.005 15.983 -19.919 1.00 20.83 O +ATOM 373 CB VAL X 81 -17.999 18.022 -18.897 1.00 19.66 C +ATOM 374 CG1 VAL X 81 -18.943 18.611 -17.868 1.00 19.48 C +ATOM 375 CG2 VAL X 81 -16.628 18.574 -18.692 1.00 18.53 C +ATOM 376 N LEU X 82 -19.860 15.363 -17.752 1.00 19.47 N +ATOM 377 CA LEU X 82 -21.210 14.811 -17.673 1.00 18.97 C +ATOM 378 C LEU X 82 -22.192 15.914 -17.442 1.00 19.26 C +ATOM 379 O LEU X 82 -22.020 16.712 -16.538 1.00 20.06 O +ATOM 380 CB LEU X 82 -21.339 13.789 -16.551 1.00 18.44 C +ATOM 381 CG LEU X 82 -20.920 12.352 -16.859 1.00 17.79 C +ATOM 382 CD1 LEU X 82 -19.645 12.309 -17.604 1.00 19.56 C +ATOM 383 CD2 LEU X 82 -20.725 11.571 -15.592 1.00 19.95 C +ATOM 384 N TRP X 83 -23.214 15.965 -18.284 1.00 19.59 N +ATOM 385 CA TRP X 83 -24.276 16.971 -18.197 1.00 19.58 C +ATOM 386 C TRP X 83 -25.551 16.255 -17.752 1.00 20.06 C +ATOM 387 O TRP X 83 -25.990 15.292 -18.392 1.00 19.98 O +ATOM 388 CB TRP X 83 -24.452 17.644 -19.564 1.00 18.79 C +ATOM 389 CG TRP X 83 -25.546 18.661 -19.673 1.00 17.57 C +ATOM 390 CD1 TRP X 83 -26.254 19.208 -18.664 1.00 15.96 C +ATOM 391 CD2 TRP X 83 -26.020 19.286 -20.885 1.00 16.86 C +ATOM 392 NE1 TRP X 83 -27.152 20.119 -19.155 1.00 16.66 N +ATOM 393 CE2 TRP X 83 -27.037 20.185 -20.515 1.00 14.90 C +ATOM 394 CE3 TRP X 83 -25.695 19.149 -22.248 1.00 16.31 C +ATOM 395 CZ2 TRP X 83 -27.738 20.964 -21.446 1.00 16.88 C +ATOM 396 CZ3 TRP X 83 -26.392 19.932 -23.189 1.00 17.28 C +ATOM 397 CH2 TRP X 83 -27.409 20.828 -22.776 1.00 17.48 C +ATOM 398 N ILE X 84 -26.118 16.715 -16.640 1.00 20.52 N +ATOM 399 CA ILE X 84 -27.243 16.050 -16.017 1.00 21.03 C +ATOM 400 C ILE X 84 -28.355 17.019 -15.714 1.00 21.83 C +ATOM 401 O ILE X 84 -28.118 18.165 -15.283 1.00 22.88 O +ATOM 402 CB ILE X 84 -26.818 15.353 -14.749 1.00 20.89 C +ATOM 403 CG1 ILE X 84 -25.698 14.371 -15.060 1.00 21.55 C +ATOM 404 CG2 ILE X 84 -27.964 14.602 -14.154 1.00 21.87 C +ATOM 405 CD1 ILE X 84 -24.876 14.055 -13.866 1.00 22.23 C +ATOM 406 N LYS X 85 -29.580 16.567 -15.963 1.00 22.32 N +ATOM 407 CA LYS X 85 -30.753 17.392 -15.751 1.00 22.41 C +ATOM 408 C LYS X 85 -31.278 17.126 -14.348 1.00 23.03 C +ATOM 409 O LYS X 85 -31.433 15.966 -13.947 1.00 22.68 O +ATOM 410 CB LYS X 85 -31.814 17.089 -16.814 1.00 22.35 C +ATOM 411 CG LYS X 85 -31.496 17.640 -18.210 1.00 21.90 C +ATOM 412 CD LYS X 85 -31.195 19.127 -18.141 1.00 25.45 C +ATOM 413 CE LYS X 85 -31.657 19.905 -19.381 1.00 26.21 C +ATOM 414 NZ LYS X 85 -31.407 21.371 -19.213 1.00 25.19 N +ATOM 415 N GLY X 86 -31.513 18.198 -13.588 1.00 23.60 N +ATOM 416 CA GLY X 86 -32.100 18.070 -12.249 1.00 24.15 C +ATOM 417 C GLY X 86 -33.604 17.818 -12.314 1.00 24.77 C +ATOM 418 O GLY X 86 -34.257 18.132 -13.330 1.00 24.88 O +ATOM 419 N ALA X 87 -34.161 17.259 -11.240 1.00 24.85 N +ATOM 420 CA ALA X 87 -35.605 17.018 -11.156 1.00 24.91 C +ATOM 421 C ALA X 87 -36.414 18.258 -11.566 1.00 24.87 C +ATOM 422 O ALA X 87 -37.383 18.138 -12.284 1.00 24.89 O +ATOM 423 CB ALA X 87 -35.992 16.552 -9.754 1.00 24.56 C +ATOM 424 N GLN X 88 -35.994 19.447 -11.132 1.00 25.22 N +ATOM 425 CA GLN X 88 -36.695 20.703 -11.471 1.00 25.31 C +ATOM 426 C GLN X 88 -36.062 21.396 -12.686 1.00 25.01 C +ATOM 427 O GLN X 88 -36.212 22.613 -12.862 1.00 24.94 O +ATOM 428 CB GLN X 88 -36.766 21.693 -10.275 1.00 25.41 C +ATOM 429 CG GLN X 88 -37.438 21.208 -8.957 1.00 26.86 C +ATOM 430 CD GLN X 88 -38.742 20.410 -9.146 1.00 28.67 C +ATOM 431 OE1 GLN X 88 -39.584 20.740 -9.978 1.00 30.53 O +ATOM 432 NE2 GLN X 88 -38.903 19.360 -8.356 1.00 28.14 N +ATOM 433 N GLY X 89 -35.360 20.617 -13.513 1.00 24.64 N +ATOM 434 CA GLY X 89 -34.766 21.107 -14.768 1.00 24.70 C +ATOM 435 C GLY X 89 -33.427 21.845 -14.670 1.00 24.76 C +ATOM 436 O GLY X 89 -32.972 22.446 -15.641 1.00 24.76 O +ATOM 437 N GLY X 90 -32.789 21.803 -13.504 1.00 24.39 N +ATOM 438 CA GLY X 90 -31.506 22.449 -13.333 1.00 23.80 C +ATOM 439 C GLY X 90 -30.441 21.772 -14.159 1.00 23.24 C +ATOM 440 O GLY X 90 -30.454 20.542 -14.348 1.00 23.71 O +ATOM 441 N ASP X 91 -29.525 22.586 -14.667 1.00 22.76 N +ATOM 442 CA ASP X 91 -28.342 22.080 -15.344 1.00 22.14 C +ATOM 443 C ASP X 91 -27.252 21.810 -14.320 1.00 21.93 C +ATOM 444 O ASP X 91 -26.960 22.664 -13.468 1.00 22.00 O +ATOM 445 CB ASP X 91 -27.843 23.067 -16.377 1.00 21.40 C +ATOM 446 CG ASP X 91 -28.812 23.243 -17.520 1.00 22.30 C +ATOM 447 OD1 ASP X 91 -29.401 24.361 -17.567 1.00 21.33 O +ATOM 448 OD2 ASP X 91 -28.976 22.285 -18.349 1.00 19.29 O +ATOM 449 N TYR X 92 -26.680 20.609 -14.399 1.00 21.20 N +ATOM 450 CA TYR X 92 -25.599 20.212 -13.525 1.00 20.58 C +ATOM 451 C TYR X 92 -24.519 19.545 -14.327 1.00 19.82 C +ATOM 452 O TYR X 92 -24.792 18.699 -15.182 1.00 19.55 O +ATOM 453 CB TYR X 92 -26.116 19.262 -12.470 1.00 20.78 C +ATOM 454 CG TYR X 92 -27.000 19.938 -11.469 1.00 21.02 C +ATOM 455 CD1 TYR X 92 -28.369 19.979 -11.658 1.00 21.52 C +ATOM 456 CD2 TYR X 92 -26.470 20.521 -10.312 1.00 21.16 C +ATOM 457 CE1 TYR X 92 -29.201 20.588 -10.732 1.00 22.29 C +ATOM 458 CE2 TYR X 92 -27.292 21.125 -9.379 1.00 22.18 C +ATOM 459 CZ TYR X 92 -28.662 21.155 -9.604 1.00 21.64 C +ATOM 460 OH TYR X 92 -29.504 21.751 -8.720 1.00 20.92 O +ATOM 461 N PHE X 93 -23.286 19.925 -14.040 1.00 18.90 N +ATOM 462 CA PHE X 93 -22.165 19.487 -14.849 1.00 18.12 C +ATOM 463 C PHE X 93 -21.085 18.888 -13.997 1.00 17.88 C +ATOM 464 O PHE X 93 -20.499 19.574 -13.154 1.00 17.41 O +ATOM 465 CB PHE X 93 -21.590 20.672 -15.595 1.00 18.06 C +ATOM 466 CG PHE X 93 -22.515 21.251 -16.597 1.00 17.46 C +ATOM 467 CD1 PHE X 93 -22.688 20.637 -17.838 1.00 17.24 C +ATOM 468 CD2 PHE X 93 -23.201 22.406 -16.321 1.00 16.57 C +ATOM 469 CE1 PHE X 93 -23.531 21.166 -18.789 1.00 15.91 C +ATOM 470 CE2 PHE X 93 -24.045 22.956 -17.271 1.00 18.44 C +ATOM 471 CZ PHE X 93 -24.224 22.326 -18.507 1.00 17.45 C +ATOM 472 N TYR X 94 -20.824 17.610 -14.229 1.00 17.68 N +ATOM 473 CA TYR X 94 -19.827 16.870 -13.477 1.00 17.93 C +ATOM 474 C TYR X 94 -18.552 16.614 -14.276 1.00 17.62 C +ATOM 475 O TYR X 94 -18.604 16.320 -15.475 1.00 17.27 O +ATOM 476 CB TYR X 94 -20.422 15.551 -12.975 1.00 18.06 C +ATOM 477 CG TYR X 94 -21.295 15.756 -11.766 1.00 19.55 C +ATOM 478 CD1 TYR X 94 -20.782 15.624 -10.479 1.00 21.36 C +ATOM 479 CD2 TYR X 94 -22.632 16.119 -11.897 1.00 19.41 C +ATOM 480 CE1 TYR X 94 -21.595 15.830 -9.349 1.00 20.36 C +ATOM 481 CE2 TYR X 94 -23.433 16.321 -10.782 1.00 19.16 C +ATOM 482 CZ TYR X 94 -22.911 16.176 -9.517 1.00 19.22 C +ATOM 483 OH TYR X 94 -23.708 16.392 -8.410 1.00 20.60 O +ATOM 484 N SER X 95 -17.413 16.726 -13.598 1.00 17.05 N +ATOM 485 CA SER X 95 -16.149 16.379 -14.200 1.00 16.82 C +ATOM 486 C SER X 95 -15.438 15.315 -13.390 1.00 16.66 C +ATOM 487 O SER X 95 -15.072 15.550 -12.244 1.00 16.29 O +ATOM 488 CB SER X 95 -15.250 17.600 -14.343 1.00 16.67 C +ATOM 489 OG SER X 95 -13.911 17.184 -14.584 1.00 17.23 O +ATOM 490 N PHE X 96 -15.194 14.161 -14.008 1.00 16.68 N +ATOM 491 CA PHE X 96 -14.575 13.059 -13.279 1.00 17.26 C +ATOM 492 C PHE X 96 -13.164 12.694 -13.715 1.00 17.96 C +ATOM 493 O PHE X 96 -12.459 12.002 -12.967 1.00 18.40 O +ATOM 494 CB PHE X 96 -15.485 11.807 -13.252 1.00 16.60 C +ATOM 495 CG PHE X 96 -16.699 11.962 -12.367 1.00 15.47 C +ATOM 496 CD1 PHE X 96 -16.560 12.137 -11.011 1.00 14.84 C +ATOM 497 CD2 PHE X 96 -17.976 11.961 -12.904 1.00 15.13 C +ATOM 498 CE1 PHE X 96 -17.665 12.304 -10.212 1.00 15.25 C +ATOM 499 CE2 PHE X 96 -19.081 12.139 -12.109 1.00 14.50 C +ATOM 500 CZ PHE X 96 -18.925 12.316 -10.764 1.00 15.78 C +ATOM 501 N GLY X 97 -12.759 13.148 -14.899 1.00 18.40 N +ATOM 502 CA GLY X 97 -11.514 12.696 -15.522 1.00 20.05 C +ATOM 503 C GLY X 97 -10.592 13.848 -15.881 1.00 21.54 C +ATOM 504 O GLY X 97 -10.915 15.001 -15.595 1.00 21.78 O +ATOM 505 N GLY X 98 -9.439 13.553 -16.499 1.00 22.19 N +ATOM 506 CA GLY X 98 -8.462 14.597 -16.837 1.00 22.86 C +ATOM 507 C GLY X 98 -7.938 15.326 -15.606 1.00 23.65 C +ATOM 508 O GLY X 98 -7.573 16.488 -15.665 1.00 23.35 O +ATOM 509 N CYS X 99 -7.908 14.612 -14.490 1.00 24.70 N +ATOM 510 CA CYS X 99 -7.483 15.121 -13.193 1.00 26.03 C +ATOM 511 C CYS X 99 -6.328 16.118 -13.236 1.00 25.55 C +ATOM 512 O CYS X 99 -6.367 17.146 -12.556 1.00 25.07 O +ATOM 513 CB CYS X 99 -7.141 13.936 -12.279 1.00 26.46 C +ATOM 514 SG CYS X 99 -8.596 12.933 -11.973 1.00 31.46 S +ATOM 515 N HIS X 100 -5.320 15.807 -14.046 1.00 25.89 N +ATOM 516 CA HIS X 100 -4.114 16.608 -14.130 1.00 26.21 C +ATOM 517 C HIS X 100 -4.307 17.800 -15.078 1.00 25.66 C +ATOM 518 O HIS X 100 -3.891 18.917 -14.761 1.00 26.39 O +ATOM 519 CB HIS X 100 -2.920 15.747 -14.520 1.00 26.55 C +ATOM 520 CG HIS X 100 -2.477 14.798 -13.444 1.00 29.63 C +ATOM 521 ND1 HIS X 100 -3.019 13.538 -13.290 1.00 31.89 N +ATOM 522 CD2 HIS X 100 -1.522 14.913 -12.486 1.00 32.00 C +ATOM 523 CE1 HIS X 100 -2.426 12.924 -12.277 1.00 32.23 C +ATOM 524 NE2 HIS X 100 -1.513 13.735 -11.773 1.00 32.20 N +ATOM 525 N ARG X 101 -4.961 17.582 -16.212 1.00 24.54 N +ATOM 526 CA ARG X 101 -5.405 18.690 -17.048 1.00 23.89 C +ATOM 527 C ARG X 101 -6.175 19.722 -16.227 1.00 23.40 C +ATOM 528 O ARG X 101 -5.810 20.904 -16.213 1.00 23.57 O +ATOM 529 CB ARG X 101 -6.280 18.191 -18.192 1.00 24.13 C +ATOM 530 CG ARG X 101 -5.506 17.770 -19.416 1.00 24.33 C +ATOM 531 CD ARG X 101 -6.373 17.000 -20.382 1.00 24.07 C +ATOM 532 NE ARG X 101 -6.486 15.613 -19.948 1.00 24.98 N +ATOM 533 CZ ARG X 101 -7.279 14.696 -20.499 1.00 23.62 C +ATOM 534 NH1 ARG X 101 -8.064 14.990 -21.538 1.00 22.56 N +ATOM 535 NH2 ARG X 101 -7.285 13.474 -19.986 1.00 22.44 N +ATOM 536 N TYR X 102 -7.228 19.270 -15.542 1.00 22.31 N +ATOM 537 CA TYR X 102 -8.038 20.158 -14.731 1.00 21.63 C +ATOM 538 C TYR X 102 -7.167 20.980 -13.799 1.00 21.25 C +ATOM 539 O TYR X 102 -7.359 22.185 -13.669 1.00 21.08 O +ATOM 540 CB TYR X 102 -9.130 19.414 -13.935 1.00 21.89 C +ATOM 541 CG TYR X 102 -10.099 20.373 -13.251 1.00 21.52 C +ATOM 542 CD1 TYR X 102 -11.075 21.038 -13.985 1.00 21.54 C +ATOM 543 CD2 TYR X 102 -10.013 20.647 -11.894 1.00 21.31 C +ATOM 544 CE1 TYR X 102 -11.956 21.943 -13.397 1.00 20.90 C +ATOM 545 CE2 TYR X 102 -10.900 21.547 -11.278 1.00 22.46 C +ATOM 546 CZ TYR X 102 -11.871 22.196 -12.046 1.00 22.89 C +ATOM 547 OH TYR X 102 -12.781 23.091 -11.471 1.00 23.95 O +ATOM 548 N ALA X 103 -6.197 20.336 -13.160 1.00 21.14 N +ATOM 549 CA ALA X 103 -5.396 21.021 -12.139 1.00 20.98 C +ATOM 550 C ALA X 103 -4.484 22.047 -12.791 1.00 20.79 C +ATOM 551 O ALA X 103 -4.322 23.160 -12.277 1.00 21.03 O +ATOM 552 CB ALA X 103 -4.606 20.036 -11.327 1.00 20.47 C +ATOM 553 N ALA X 104 -3.924 21.670 -13.932 1.00 19.93 N +ATOM 554 CA ALA X 104 -3.085 22.555 -14.693 1.00 20.54 C +ATOM 555 C ALA X 104 -3.868 23.825 -14.965 1.00 21.32 C +ATOM 556 O ALA X 104 -3.403 24.944 -14.667 1.00 21.18 O +ATOM 557 CB ALA X 104 -2.662 21.889 -15.992 1.00 20.23 C +ATOM 558 N TYR X 105 -5.076 23.641 -15.499 1.00 21.77 N +ATOM 559 CA TYR X 105 -5.965 24.751 -15.802 1.00 22.50 C +ATOM 560 C TYR X 105 -6.260 25.559 -14.544 1.00 22.88 C +ATOM 561 O TYR X 105 -6.464 26.766 -14.610 1.00 23.27 O +ATOM 562 CB TYR X 105 -7.265 24.246 -16.457 1.00 23.22 C +ATOM 563 CG TYR X 105 -7.199 24.245 -17.954 1.00 22.99 C +ATOM 564 CD1 TYR X 105 -6.716 23.150 -18.657 1.00 23.78 C +ATOM 565 CD2 TYR X 105 -7.573 25.360 -18.661 1.00 23.21 C +ATOM 566 CE1 TYR X 105 -6.614 23.173 -20.039 1.00 23.66 C +ATOM 567 CE2 TYR X 105 -7.485 25.395 -20.034 1.00 25.05 C +ATOM 568 CZ TYR X 105 -7.003 24.305 -20.716 1.00 24.56 C +ATOM 569 OH TYR X 105 -6.935 24.386 -22.092 1.00 26.06 O +ATOM 570 N GLN X 106 -6.265 24.905 -13.389 1.00 22.92 N +ATOM 571 CA GLN X 106 -6.543 25.642 -12.171 1.00 23.26 C +ATOM 572 C GLN X 106 -5.315 26.438 -11.777 1.00 22.62 C +ATOM 573 O GLN X 106 -5.428 27.513 -11.200 1.00 22.09 O +ATOM 574 CB GLN X 106 -6.939 24.716 -11.026 1.00 23.67 C +ATOM 575 CG GLN X 106 -8.386 24.332 -10.985 1.00 24.88 C +ATOM 576 CD GLN X 106 -8.834 23.957 -9.576 1.00 28.10 C +ATOM 577 OE1 GLN X 106 -9.902 24.378 -9.134 1.00 30.05 O +ATOM 578 NE2 GLN X 106 -8.013 23.184 -8.856 1.00 28.36 N +ATOM 579 N GLN X 107 -4.144 25.884 -12.079 1.00 22.38 N +ATOM 580 CA GLN X 107 -2.872 26.568 -11.823 1.00 21.99 C +ATOM 581 C GLN X 107 -2.715 27.777 -12.702 1.00 20.80 C +ATOM 582 O GLN X 107 -2.240 28.787 -12.231 1.00 21.00 O +ATOM 583 CB GLN X 107 -1.707 25.645 -12.108 1.00 22.60 C +ATOM 584 CG GLN X 107 -1.681 24.453 -11.246 1.00 24.96 C +ATOM 585 CD GLN X 107 -0.854 24.676 -10.037 1.00 28.54 C +ATOM 586 OE1 GLN X 107 0.314 24.267 -10.013 1.00 31.20 O +ATOM 587 NE2 GLN X 107 -1.429 25.346 -9.012 1.00 27.74 N +ATOM 588 N LEU X 108 -3.115 27.648 -13.972 1.00 19.77 N +ATOM 589 CA LEU X 108 -3.120 28.737 -14.947 1.00 18.98 C +ATOM 590 C LEU X 108 -4.247 29.731 -14.740 1.00 19.32 C +ATOM 591 O LEU X 108 -4.303 30.775 -15.425 1.00 19.71 O +ATOM 592 CB LEU X 108 -3.217 28.179 -16.357 1.00 18.36 C +ATOM 593 CG LEU X 108 -1.902 27.557 -16.831 1.00 18.87 C +ATOM 594 CD1 LEU X 108 -2.165 26.418 -17.788 1.00 17.73 C +ATOM 595 CD2 LEU X 108 -0.956 28.591 -17.449 1.00 16.35 C +ATOM 596 N GLN X 109 -5.159 29.394 -13.825 1.00 18.59 N +ATOM 597 CA GLN X 109 -6.244 30.275 -13.432 1.00 18.62 C +ATOM 598 C GLN X 109 -7.135 30.729 -14.600 1.00 18.19 C +ATOM 599 O GLN X 109 -7.750 31.801 -14.546 1.00 17.35 O +ATOM 600 CB GLN X 109 -5.715 31.444 -12.593 1.00 17.93 C +ATOM 601 CG GLN X 109 -5.032 30.996 -11.274 1.00 20.07 C +ATOM 602 CD GLN X 109 -4.483 32.162 -10.427 1.00 20.66 C +ATOM 603 OE1 GLN X 109 -4.983 33.286 -10.492 1.00 23.31 O +ATOM 604 NE2 GLN X 109 -3.453 31.887 -9.640 1.00 21.78 N +ATOM 605 N ARG X 110 -7.213 29.882 -15.634 1.00 18.06 N +ATOM 606 CA ARG X 110 -8.160 30.046 -16.739 1.00 18.33 C +ATOM 607 C ARG X 110 -9.559 30.003 -16.170 1.00 18.21 C +ATOM 608 O ARG X 110 -9.747 29.505 -15.068 1.00 17.77 O +ATOM 609 CB ARG X 110 -8.007 28.918 -17.751 1.00 18.41 C +ATOM 610 CG ARG X 110 -6.614 28.755 -18.337 1.00 19.68 C +ATOM 611 CD ARG X 110 -6.179 30.012 -19.115 1.00 18.41 C +ATOM 612 NE ARG X 110 -4.814 29.928 -19.624 1.00 17.07 N +ATOM 613 CZ ARG X 110 -4.471 29.242 -20.706 1.00 20.50 C +ATOM 614 NH1 ARG X 110 -5.396 28.550 -21.371 1.00 21.58 N +ATOM 615 NH2 ARG X 110 -3.203 29.220 -21.121 1.00 21.02 N +ATOM 616 N GLU X 111 -10.530 30.549 -16.895 1.00 18.31 N +ATOM 617 CA GLU X 111 -11.934 30.514 -16.439 1.00 18.83 C +ATOM 618 C GLU X 111 -12.765 29.555 -17.301 1.00 18.31 C +ATOM 619 O GLU X 111 -13.951 29.320 -17.031 1.00 17.44 O +ATOM 620 CB GLU X 111 -12.557 31.900 -16.482 1.00 19.54 C +ATOM 621 CG GLU X 111 -11.851 32.947 -15.616 1.00 22.78 C +ATOM 622 CD GLU X 111 -11.805 34.296 -16.317 1.00 27.04 C +ATOM 623 OE1 GLU X 111 -12.443 35.249 -15.829 1.00 28.43 O +ATOM 624 OE2 GLU X 111 -11.147 34.391 -17.378 1.00 28.60 O +ATOM 625 N THR X 112 -12.113 29.014 -18.342 1.00 17.49 N +ATOM 626 CA THR X 112 -12.716 28.053 -19.229 1.00 16.28 C +ATOM 627 C THR X 112 -11.705 26.970 -19.562 1.00 16.23 C +ATOM 628 O THR X 112 -10.502 27.222 -19.658 1.00 16.10 O +ATOM 629 CB THR X 112 -13.247 28.670 -20.561 1.00 16.15 C +ATOM 630 OG1 THR X 112 -12.165 28.970 -21.451 1.00 15.85 O +ATOM 631 CG2 THR X 112 -14.100 29.887 -20.328 1.00 15.90 C +ATOM 632 N ILE X 113 -12.234 25.772 -19.748 1.00 15.55 N +ATOM 633 CA ILE X 113 -11.485 24.624 -20.126 1.00 15.28 C +ATOM 634 C ILE X 113 -12.241 23.996 -21.319 1.00 16.23 C +ATOM 635 O ILE X 113 -13.475 23.975 -21.341 1.00 15.88 O +ATOM 636 CB ILE X 113 -11.370 23.666 -18.911 1.00 14.74 C +ATOM 637 CG1 ILE X 113 -10.262 22.629 -19.126 1.00 14.26 C +ATOM 638 CG2 ILE X 113 -12.695 23.046 -18.590 1.00 13.74 C +ATOM 639 CD1 ILE X 113 -10.030 21.746 -17.935 1.00 11.29 C +ATOM 640 N PRO X 114 -11.508 23.556 -22.347 1.00 16.83 N +ATOM 641 CA PRO X 114 -12.116 22.814 -23.443 1.00 17.59 C +ATOM 642 C PRO X 114 -12.762 21.534 -22.949 1.00 18.44 C +ATOM 643 O PRO X 114 -12.084 20.699 -22.320 1.00 18.34 O +ATOM 644 CB PRO X 114 -10.912 22.468 -24.334 1.00 17.60 C +ATOM 645 CG PRO X 114 -9.925 23.578 -24.054 1.00 17.52 C +ATOM 646 CD PRO X 114 -10.075 23.796 -22.580 1.00 17.22 C +ATOM 647 N ALA X 115 -14.054 21.353 -23.219 1.00 18.76 N +ATOM 648 CA ALA X 115 -14.661 20.076 -22.844 1.00 19.45 C +ATOM 649 C ALA X 115 -15.610 19.485 -23.867 1.00 19.99 C +ATOM 650 O ALA X 115 -16.182 20.206 -24.687 1.00 20.11 O +ATOM 651 CB ALA X 115 -15.327 20.186 -21.493 1.00 19.22 C +ATOM 652 N LYS X 116 -15.749 18.160 -23.833 1.00 20.69 N +ATOM 653 CA LYS X 116 -16.825 17.495 -24.563 1.00 22.03 C +ATOM 654 C LYS X 116 -17.940 17.299 -23.565 1.00 21.87 C +ATOM 655 O LYS X 116 -17.688 16.896 -22.411 1.00 21.53 O +ATOM 656 CB LYS X 116 -16.374 16.155 -25.139 1.00 21.70 C +ATOM 657 CG LYS X 116 -15.187 16.282 -26.128 1.00 24.55 C +ATOM 658 CD LYS X 116 -15.063 15.081 -27.101 1.00 24.57 C +ATOM 659 CE LYS X 116 -14.476 15.524 -28.454 1.00 27.64 C +ATOM 660 NZ LYS X 116 -13.372 14.603 -28.938 1.00 29.71 N +ATOM 661 N LEU X 117 -19.164 17.625 -23.972 1.00 22.06 N +ATOM 662 CA LEU X 117 -20.289 17.425 -23.058 1.00 22.69 C +ATOM 663 C LEU X 117 -20.998 16.117 -23.352 1.00 23.32 C +ATOM 664 O LEU X 117 -21.425 15.879 -24.493 1.00 23.54 O +ATOM 665 CB LEU X 117 -21.243 18.619 -23.045 1.00 22.28 C +ATOM 666 CG LEU X 117 -20.588 19.785 -22.288 1.00 22.22 C +ATOM 667 CD1 LEU X 117 -20.861 21.095 -22.960 1.00 22.02 C +ATOM 668 CD2 LEU X 117 -20.971 19.848 -20.821 1.00 21.06 C +ATOM 669 N VAL X 118 -21.076 15.258 -22.329 1.00 23.23 N +ATOM 670 CA VAL X 118 -21.705 13.938 -22.458 1.00 23.42 C +ATOM 671 C VAL X 118 -22.984 13.850 -21.624 1.00 23.70 C +ATOM 672 O VAL X 118 -22.932 13.728 -20.389 1.00 23.92 O +ATOM 673 CB VAL X 118 -20.732 12.800 -22.066 1.00 23.27 C +ATOM 674 CG1 VAL X 118 -21.404 11.449 -22.216 1.00 22.02 C +ATOM 675 CG2 VAL X 118 -19.480 12.865 -22.920 1.00 22.73 C +ATOM 676 N GLN X 119 -24.134 13.920 -22.289 1.00 23.67 N +ATOM 677 CA GLN X 119 -25.409 13.990 -21.561 1.00 24.19 C +ATOM 678 C GLN X 119 -25.575 12.698 -20.782 1.00 24.51 C +ATOM 679 O GLN X 119 -25.102 11.657 -21.213 1.00 24.62 O +ATOM 680 CB GLN X 119 -26.573 14.237 -22.513 1.00 24.08 C +ATOM 681 CG GLN X 119 -26.129 14.971 -23.775 1.00 24.76 C +ATOM 682 CD GLN X 119 -27.262 15.611 -24.531 1.00 25.67 C +ATOM 683 OE1 GLN X 119 -28.395 15.678 -24.056 1.00 26.22 O +ATOM 684 NE2 GLN X 119 -26.957 16.098 -25.725 1.00 27.45 N +ATOM 685 N SER X 120 -26.193 12.762 -19.614 1.00 24.83 N +ATOM 686 CA SER X 120 -26.174 11.602 -18.733 1.00 25.30 C +ATOM 687 C SER X 120 -27.330 11.625 -17.751 1.00 25.51 C +ATOM 688 O SER X 120 -28.089 12.594 -17.708 1.00 25.35 O +ATOM 689 CB SER X 120 -24.832 11.508 -17.999 1.00 25.17 C +ATOM 690 OG SER X 120 -24.749 10.303 -17.272 1.00 25.58 O +ATOM 691 N THR X 121 -27.461 10.551 -16.973 1.00 25.87 N +ATOM 692 CA THR X 121 -28.604 10.392 -16.080 1.00 26.33 C +ATOM 693 C THR X 121 -28.150 10.589 -14.637 1.00 26.65 C +ATOM 694 O THR X 121 -26.965 10.765 -14.384 1.00 26.43 O +ATOM 695 CB THR X 121 -29.229 8.985 -16.220 1.00 26.32 C +ATOM 696 OG1 THR X 121 -28.640 8.104 -15.257 1.00 26.18 O +ATOM 697 CG2 THR X 121 -29.028 8.403 -17.626 1.00 26.69 C +ATOM 698 N LEU X 122 -29.080 10.529 -13.684 1.00 27.32 N +ATOM 699 CA LEU X 122 -28.681 10.421 -12.278 1.00 27.81 C +ATOM 700 C LEU X 122 -27.959 9.089 -11.987 1.00 28.11 C +ATOM 701 O LEU X 122 -26.824 9.100 -11.501 1.00 28.33 O +ATOM 702 CB LEU X 122 -29.873 10.622 -11.330 1.00 28.04 C +ATOM 703 CG LEU X 122 -29.641 11.303 -9.963 1.00 27.99 C +ATOM 704 CD1 LEU X 122 -29.125 12.719 -10.104 1.00 26.90 C +ATOM 705 CD2 LEU X 122 -30.912 11.296 -9.086 1.00 28.15 C +ATOM 706 N SER X 123 -28.587 7.961 -12.326 1.00 27.94 N +ATOM 707 CA SER X 123 -28.063 6.624 -11.972 1.00 28.12 C +ATOM 708 C SER X 123 -26.626 6.380 -12.437 1.00 27.95 C +ATOM 709 O SER X 123 -25.917 5.558 -11.868 1.00 28.05 O +ATOM 710 CB SER X 123 -28.970 5.519 -12.528 1.00 28.39 C +ATOM 711 OG SER X 123 -30.275 6.006 -12.782 1.00 28.47 O +ATOM 712 N ASP X 124 -26.211 7.092 -13.480 1.00 27.97 N +ATOM 713 CA ASP X 124 -24.807 7.119 -13.898 1.00 28.11 C +ATOM 714 C ASP X 124 -23.891 7.762 -12.858 1.00 27.48 C +ATOM 715 O ASP X 124 -22.725 7.385 -12.753 1.00 28.02 O +ATOM 716 CB ASP X 124 -24.639 7.825 -15.247 1.00 28.42 C +ATOM 717 CG ASP X 124 -24.902 6.895 -16.447 1.00 30.94 C +ATOM 718 OD1 ASP X 124 -24.110 5.936 -16.665 1.00 31.67 O +ATOM 719 OD2 ASP X 124 -25.901 7.131 -17.177 1.00 33.77 O +ATOM 720 N LEU X 125 -24.404 8.718 -12.094 1.00 26.25 N +ATOM 721 CA LEU X 125 -23.627 9.307 -11.022 1.00 25.81 C +ATOM 722 C LEU X 125 -23.338 8.339 -9.893 1.00 25.70 C +ATOM 723 O LEU X 125 -22.577 8.493 -9.033 1.00 57.10 O +ATOM 724 CB LEU X 125 -24.366 10.485 -10.422 1.00 25.93 C +ATOM 725 CG LEU X 125 -24.176 11.856 -11.032 1.00 25.15 C +ATOM 726 CD1 LEU X 125 -24.864 12.828 -10.097 1.00 25.42 C +ATOM 727 CD2 LEU X 125 -22.699 12.198 -11.183 1.00 24.37 C +ATOM 728 N ARG X 126 -24.376 7.622 -9.470 1.00 25.21 N +ATOM 729 CA ARG X 126 -24.253 6.795 -8.291 1.00 24.91 C +ATOM 730 C ARG X 126 -23.137 5.803 -8.491 1.00 24.04 C +ATOM 731 O ARG X 126 -22.562 5.320 -7.536 1.00 24.00 O +ATOM 732 CB ARG X 126 -25.574 6.119 -7.925 1.00 25.34 C +ATOM 733 CG ARG X 126 -25.706 5.727 -6.424 1.00 27.80 C +ATOM 734 CD ARG X 126 -27.155 5.867 -5.868 1.00 31.99 C +ATOM 735 NE ARG X 126 -28.166 5.359 -6.810 1.00 35.42 N +ATOM 736 CZ ARG X 126 -29.044 6.112 -7.478 1.00 36.34 C +ATOM 737 NH1 ARG X 126 -29.077 7.435 -7.301 1.00 35.91 N +ATOM 738 NH2 ARG X 126 -29.901 5.535 -8.321 1.00 36.32 N +ATOM 739 N VAL X 127 -22.796 5.536 -9.739 1.00 23.44 N +ATOM 740 CA VAL X 127 -21.675 4.665 -10.023 1.00 22.90 C +ATOM 741 C VAL X 127 -20.360 5.300 -9.551 1.00 23.30 C +ATOM 742 O VAL X 127 -19.492 4.613 -9.016 1.00 23.95 O +ATOM 743 CB VAL X 127 -21.617 4.259 -11.488 1.00 22.59 C +ATOM 744 CG1 VAL X 127 -20.507 3.284 -11.689 1.00 22.31 C +ATOM 745 CG2 VAL X 127 -22.970 3.622 -11.952 1.00 23.28 C +ATOM 746 N TYR X 128 -20.215 6.612 -9.711 1.00 22.97 N +ATOM 747 CA TYR X 128 -19.029 7.265 -9.209 1.00 21.87 C +ATOM 748 C TYR X 128 -19.223 7.750 -7.803 1.00 21.27 C +ATOM 749 O TYR X 128 -18.237 7.928 -7.105 1.00 21.73 O +ATOM 750 CB TYR X 128 -18.604 8.411 -10.110 1.00 22.39 C +ATOM 751 CG TYR X 128 -18.562 7.971 -11.520 1.00 24.38 C +ATOM 752 CD1 TYR X 128 -19.519 8.403 -12.441 1.00 25.85 C +ATOM 753 CD2 TYR X 128 -17.609 7.053 -11.941 1.00 26.54 C +ATOM 754 CE1 TYR X 128 -19.496 7.953 -13.769 1.00 25.50 C +ATOM 755 CE2 TYR X 128 -17.584 6.601 -13.248 1.00 27.58 C +ATOM 756 CZ TYR X 128 -18.525 7.053 -14.151 1.00 25.24 C +ATOM 757 OH TYR X 128 -18.466 6.586 -15.431 1.00 25.98 O +ATOM 758 N LEU X 129 -20.471 7.954 -7.369 1.00 20.58 N +ATOM 759 CA LEU X 129 -20.710 8.640 -6.075 1.00 19.30 C +ATOM 760 C LEU X 129 -21.212 7.798 -4.910 1.00 19.29 C +ATOM 761 O LEU X 129 -21.115 8.218 -3.750 1.00 19.07 O +ATOM 762 CB LEU X 129 -21.622 9.858 -6.251 1.00 18.44 C +ATOM 763 CG LEU X 129 -21.104 10.935 -7.188 1.00 16.85 C +ATOM 764 CD1 LEU X 129 -22.048 12.094 -7.259 1.00 12.66 C +ATOM 765 CD2 LEU X 129 -19.752 11.382 -6.756 1.00 16.08 C +ATOM 766 N GLY X 130 -21.752 6.619 -5.214 1.00 19.04 N +ATOM 767 CA GLY X 130 -22.306 5.745 -4.195 1.00 19.31 C +ATOM 768 C GLY X 130 -23.267 6.492 -3.295 1.00 19.72 C +ATOM 769 O GLY X 130 -24.039 7.341 -3.759 1.00 19.84 O +ATOM 770 N ALA X 131 -23.205 6.205 -2.003 1.00 19.69 N +ATOM 771 CA ALA X 131 -24.117 6.826 -1.045 1.00 20.16 C +ATOM 772 C ALA X 131 -23.930 8.340 -0.902 1.00 20.54 C +ATOM 773 O ALA X 131 -24.657 8.971 -0.147 1.00 20.77 O +ATOM 774 CB ALA X 131 -24.015 6.141 0.317 1.00 20.13 C +ATOM 775 N SER X 132 -22.965 8.919 -1.621 1.00 21.11 N +ATOM 776 CA SER X 132 -22.744 10.382 -1.606 1.00 21.34 C +ATOM 777 C SER X 132 -23.498 11.063 -2.736 1.00 21.45 C +ATOM 778 O SER X 132 -23.456 12.295 -2.841 1.00 21.90 O +ATOM 779 CB SER X 132 -21.258 10.755 -1.734 1.00 21.26 C +ATOM 780 OG SER X 132 -20.563 10.687 -0.502 1.00 22.19 O +ATOM 781 N THR X 133 -24.159 10.263 -3.580 1.00 21.36 N +ATOM 782 CA THR X 133 -24.990 10.752 -4.701 1.00 21.55 C +ATOM 783 C THR X 133 -26.153 11.693 -4.286 1.00 21.87 C +ATOM 784 O THR X 133 -27.100 11.269 -3.618 1.00 21.70 O +ATOM 785 CB THR X 133 -25.589 9.575 -5.483 1.00 21.44 C +ATOM 786 OG1 THR X 133 -24.539 8.684 -5.880 1.00 21.80 O +ATOM 787 CG2 THR X 133 -26.366 10.064 -6.704 1.00 20.75 C +ATOM 788 N PRO X 134 -26.095 12.967 -4.715 1.00 21.87 N +ATOM 789 CA PRO X 134 -27.101 13.880 -4.242 1.00 21.74 C +ATOM 790 C PRO X 134 -28.391 13.762 -5.047 1.00 22.28 C +ATOM 791 O PRO X 134 -28.428 13.148 -6.111 1.00 22.24 O +ATOM 792 CB PRO X 134 -26.434 15.243 -4.443 1.00 21.47 C +ATOM 793 CG PRO X 134 -25.609 15.070 -5.632 1.00 21.09 C +ATOM 794 CD PRO X 134 -25.149 13.629 -5.635 1.00 21.37 C +ATOM 795 N ASP X 135 -29.442 14.353 -4.498 1.00 23.06 N +ATOM 796 CA ASP X 135 -30.777 14.346 -5.064 1.00 23.43 C +ATOM 797 C ASP X 135 -30.970 15.639 -5.873 1.00 23.15 C +ATOM 798 O ASP X 135 -31.381 16.693 -5.352 1.00 22.24 O +ATOM 799 CB ASP X 135 -31.793 14.226 -3.919 1.00 23.89 C +ATOM 800 CG ASP X 135 -33.214 14.363 -4.384 1.00 25.55 C +ATOM 801 OD1 ASP X 135 -33.463 14.226 -5.610 1.00 26.15 O +ATOM 802 OD2 ASP X 135 -34.080 14.620 -3.518 1.00 28.45 O +ATOM 803 N LEU X 136 -30.687 15.524 -7.165 1.00 23.27 N +ATOM 804 CA LEU X 136 -30.500 16.699 -8.005 1.00 22.95 C +ATOM 805 C LEU X 136 -31.783 17.428 -8.364 1.00 23.36 C +ATOM 806 O LEU X 136 -32.627 16.921 -9.113 1.00 23.36 O +ATOM 807 CB LEU X 136 -29.669 16.357 -9.248 1.00 22.40 C +ATOM 808 CG LEU X 136 -28.176 16.115 -8.982 1.00 21.05 C +ATOM 809 CD1 LEU X 136 -27.400 16.127 -10.290 1.00 19.06 C +ATOM 810 CD2 LEU X 136 -27.558 17.120 -7.982 1.00 16.98 C +ATOM 811 N GLN X 137 -31.912 18.625 -7.801 1.00 23.94 N +ATOM 812 CA GLN X 137 -33.042 19.498 -8.087 1.00 24.56 C +ATOM 813 C GLN X 137 -32.748 20.379 -9.309 1.00 25.35 C +ATOM 814 O GLN X 137 -33.338 20.189 -10.379 1.00 25.95 O +ATOM 815 CB GLN X 137 -33.412 20.329 -6.852 1.00 24.32 C +ATOM 816 CG GLN X 137 -33.996 19.507 -5.682 1.00 24.50 C +ATOM 817 CD GLN X 137 -35.031 18.477 -6.150 1.00 25.19 C +ATOM 818 OE1 GLN X 137 -36.058 18.821 -6.748 1.00 26.27 O +ATOM 819 NE2 GLN X 137 -34.755 17.213 -5.889 1.00 25.00 N +ATOM 820 OXT GLN X 137 -31.903 21.284 -9.300 1.00 25.69 O Added: SwiftApps/modFTdock/input/indata/2rii-3.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2rii-3.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2rii-3.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,767 @@ +ATOM 1 N ALA Y 39 4.363 -10.343 42.984 1.00 30.61 N +ATOM 2 CA ALA Y 39 5.149 -10.847 41.812 1.00 31.10 C +ATOM 3 C ALA Y 39 6.575 -10.352 41.879 1.00 31.14 C +ATOM 4 O ALA Y 39 6.804 -9.144 41.941 1.00 31.71 O +ATOM 5 CB ALA Y 39 4.507 -10.419 40.480 1.00 31.04 C +ATOM 6 N ALA Y 40 7.526 -11.284 41.855 1.00 31.10 N +ATOM 7 CA ALA Y 40 8.954 -10.955 41.851 1.00 30.99 C +ATOM 8 C ALA Y 40 9.331 -10.228 40.561 1.00 30.95 C +ATOM 9 O ALA Y 40 8.824 -10.575 39.489 1.00 30.88 O +ATOM 10 CB ALA Y 40 9.767 -12.212 42.000 1.00 30.81 C +ATOM 11 N VAL Y 41 10.197 -9.218 40.672 1.00 30.95 N +ATOM 12 CA VAL Y 41 10.673 -8.460 39.507 1.00 30.91 C +ATOM 13 C VAL Y 41 11.982 -9.048 39.057 1.00 31.08 C +ATOM 14 O VAL Y 41 12.911 -9.138 39.843 1.00 31.56 O +ATOM 15 CB VAL Y 41 10.933 -6.975 39.832 1.00 30.80 C +ATOM 16 CG1 VAL Y 41 11.564 -6.280 38.631 1.00 30.03 C +ATOM 17 CG2 VAL Y 41 9.644 -6.260 40.257 1.00 30.70 C +ATOM 18 N HIS Y 42 12.070 -9.432 37.794 1.00 31.28 N +ATOM 19 CA HIS Y 42 13.264 -10.118 37.296 1.00 31.76 C +ATOM 20 C HIS Y 42 14.171 -9.270 36.402 1.00 31.41 C +ATOM 21 O HIS Y 42 13.695 -8.403 35.670 1.00 31.84 O +ATOM 22 CB HIS Y 42 12.867 -11.397 36.554 1.00 32.20 C +ATOM 23 CG HIS Y 42 12.395 -12.496 37.454 1.00 33.25 C +ATOM 24 ND1 HIS Y 42 11.118 -13.011 37.389 1.00 34.73 N +ATOM 25 CD2 HIS Y 42 13.025 -13.179 38.439 1.00 33.96 C +ATOM 26 CE1 HIS Y 42 10.982 -13.961 38.299 1.00 34.68 C +ATOM 27 NE2 HIS Y 42 12.124 -14.082 38.950 1.00 34.40 N +ATOM 28 N ASN Y 43 15.474 -9.550 36.460 1.00 30.74 N +ATOM 29 CA ASN Y 43 16.477 -8.904 35.602 1.00 30.21 C +ATOM 30 C ASN Y 43 16.717 -9.654 34.326 1.00 29.71 C +ATOM 31 O ASN Y 43 17.708 -10.368 34.183 1.00 29.92 O +ATOM 32 CB ASN Y 43 17.791 -8.739 36.337 1.00 29.89 C +ATOM 33 CG ASN Y 43 17.750 -7.596 37.276 1.00 31.17 C +ATOM 34 OD1 ASN Y 43 17.214 -6.527 36.942 1.00 32.47 O +ATOM 35 ND2 ASN Y 43 18.284 -7.795 38.478 1.00 31.31 N +ATOM 36 N VAL Y 44 15.801 -9.482 33.395 1.00 29.27 N +ATOM 37 CA VAL Y 44 15.804 -10.287 32.197 1.00 28.82 C +ATOM 38 C VAL Y 44 16.617 -9.591 31.118 1.00 29.04 C +ATOM 39 O VAL Y 44 16.594 -8.353 30.998 1.00 28.43 O +ATOM 40 CB VAL Y 44 14.367 -10.657 31.756 1.00 28.59 C +ATOM 41 CG1 VAL Y 44 13.356 -9.777 32.456 1.00 28.39 C +ATOM 42 CG2 VAL Y 44 14.201 -10.616 30.244 1.00 28.13 C +ATOM 43 N PRO Y 45 17.391 -10.390 30.372 1.00 29.02 N +ATOM 44 CA PRO Y 45 18.210 -9.873 29.296 1.00 29.12 C +ATOM 45 C PRO Y 45 17.348 -9.446 28.122 1.00 29.13 C +ATOM 46 O PRO Y 45 16.412 -10.154 27.734 1.00 28.81 O +ATOM 47 CB PRO Y 45 19.114 -11.058 28.926 1.00 29.02 C +ATOM 48 CG PRO Y 45 18.401 -12.252 29.383 1.00 29.44 C +ATOM 49 CD PRO Y 45 17.550 -11.844 30.552 1.00 29.08 C +ATOM 50 N LEU Y 46 17.677 -8.290 27.559 1.00 29.01 N +ATOM 51 CA LEU Y 46 16.901 -7.735 26.464 1.00 28.87 C +ATOM 52 C LEU Y 46 16.852 -8.672 25.259 1.00 28.61 C +ATOM 53 O LEU Y 46 15.900 -8.643 24.469 1.00 28.80 O +ATOM 54 CB LEU Y 46 17.480 -6.388 26.062 1.00 28.89 C +ATOM 55 CG LEU Y 46 17.144 -5.101 26.837 1.00 28.84 C +ATOM 56 CD1 LEU Y 46 17.286 -5.197 28.344 1.00 29.26 C +ATOM 57 CD2 LEU Y 46 18.008 -3.966 26.324 1.00 29.19 C +ATOM 58 N SER Y 47 17.869 -9.519 25.145 1.00 28.42 N +ATOM 59 CA SER Y 47 18.039 -10.386 23.980 1.00 28.15 C +ATOM 60 C SER Y 47 17.188 -11.630 24.060 1.00 27.57 C +ATOM 61 O SER Y 47 16.999 -12.311 23.054 1.00 27.70 O +ATOM 62 CB SER Y 47 19.495 -10.804 23.865 1.00 28.43 C +ATOM 63 OG SER Y 47 19.890 -11.492 25.042 1.00 28.97 O +ATOM 64 N VAL Y 48 16.715 -11.941 25.267 1.00 27.08 N +ATOM 65 CA VAL Y 48 15.795 -13.066 25.481 1.00 26.34 C +ATOM 66 C VAL Y 48 14.355 -12.751 24.987 1.00 25.54 C +ATOM 67 O VAL Y 48 13.610 -13.656 24.570 1.00 25.62 O +ATOM 68 CB VAL Y 48 15.812 -13.545 26.970 1.00 26.53 C +ATOM 69 CG1 VAL Y 48 15.254 -12.506 27.878 1.00 26.64 C +ATOM 70 CG2 VAL Y 48 15.018 -14.813 27.153 1.00 26.17 C +ATOM 71 N LEU Y 49 13.994 -11.468 24.998 1.00 24.14 N +ATOM 72 CA LEU Y 49 12.621 -11.032 24.755 1.00 22.66 C +ATOM 73 C LEU Y 49 12.179 -11.060 23.286 1.00 22.30 C +ATOM 74 O LEU Y 49 12.777 -10.401 22.437 1.00 22.43 O +ATOM 75 CB LEU Y 49 12.438 -9.630 25.325 1.00 22.04 C +ATOM 76 CG LEU Y 49 12.561 -9.499 26.837 1.00 21.49 C +ATOM 77 CD1 LEU Y 49 12.460 -8.051 27.206 1.00 20.67 C +ATOM 78 CD2 LEU Y 49 11.509 -10.325 27.588 1.00 20.07 C +ATOM 79 N ILE Y 50 11.126 -11.809 22.983 1.00 21.44 N +ATOM 80 CA ILE Y 50 10.564 -11.770 21.645 1.00 20.90 C +ATOM 81 C ILE Y 50 9.582 -10.614 21.552 1.00 21.54 C +ATOM 82 O ILE Y 50 8.578 -10.576 22.264 1.00 21.49 O +ATOM 83 CB ILE Y 50 9.827 -13.039 21.307 1.00 20.67 C +ATOM 84 CG1 ILE Y 50 10.600 -14.250 21.836 1.00 20.24 C +ATOM 85 CG2 ILE Y 50 9.590 -13.120 19.812 1.00 20.03 C +ATOM 86 CD1 ILE Y 50 9.846 -15.546 21.733 1.00 18.21 C +ATOM 87 N ARG Y 51 9.882 -9.657 20.679 1.00 21.96 N +ATOM 88 CA ARG Y 51 9.013 -8.512 20.472 1.00 21.80 C +ATOM 89 C ARG Y 51 8.538 -8.564 19.047 1.00 21.73 C +ATOM 90 O ARG Y 51 9.080 -7.875 18.194 1.00 21.38 O +ATOM 91 CB ARG Y 51 9.762 -7.216 20.755 1.00 21.53 C +ATOM 92 CG ARG Y 51 10.324 -7.153 22.163 1.00 22.86 C +ATOM 93 CD ARG Y 51 11.561 -6.265 22.274 1.00 27.40 C +ATOM 94 NE ARG Y 51 12.346 -6.308 21.040 1.00 30.62 N +ATOM 95 CZ ARG Y 51 12.394 -5.324 20.146 1.00 32.62 C +ATOM 96 NH1 ARG Y 51 11.743 -4.181 20.354 1.00 32.44 N +ATOM 97 NH2 ARG Y 51 13.111 -5.480 19.042 1.00 35.44 N +ATOM 98 N PRO Y 52 7.519 -9.392 18.778 1.00 22.14 N +ATOM 99 CA PRO Y 52 7.121 -9.638 17.410 1.00 22.89 C +ATOM 100 C PRO Y 52 6.111 -8.617 16.897 1.00 24.01 C +ATOM 101 O PRO Y 52 5.594 -8.770 15.787 1.00 24.54 O +ATOM 102 CB PRO Y 52 6.462 -11.013 17.505 1.00 22.48 C +ATOM 103 CG PRO Y 52 5.790 -10.963 18.808 1.00 22.11 C +ATOM 104 CD PRO Y 52 6.668 -10.138 19.719 1.00 21.85 C +ATOM 105 N LEU Y 53 5.816 -7.585 17.682 1.00 25.34 N +ATOM 106 CA LEU Y 53 4.803 -6.617 17.253 1.00 26.40 C +ATOM 107 C LEU Y 53 5.364 -5.382 16.550 1.00 27.36 C +ATOM 108 O LEU Y 53 6.270 -4.712 17.075 1.00 27.60 O +ATOM 109 CB LEU Y 53 3.888 -6.225 18.408 1.00 26.20 C +ATOM 110 CG LEU Y 53 2.847 -7.257 18.847 1.00 26.00 C +ATOM 111 CD1 LEU Y 53 1.867 -6.541 19.747 1.00 27.57 C +ATOM 112 CD2 LEU Y 53 2.113 -7.955 17.694 1.00 24.60 C +ATOM 113 N PRO Y 54 4.822 -5.071 15.356 1.00 28.22 N +ATOM 114 CA PRO Y 54 5.343 -3.920 14.632 1.00 28.99 C +ATOM 115 C PRO Y 54 4.853 -2.706 15.385 1.00 30.03 C +ATOM 116 O PRO Y 54 3.653 -2.454 15.426 1.00 30.68 O +ATOM 117 CB PRO Y 54 4.671 -4.025 13.252 1.00 28.81 C +ATOM 118 CG PRO Y 54 3.454 -4.843 13.460 1.00 28.17 C +ATOM 119 CD PRO Y 54 3.696 -5.721 14.661 1.00 28.13 C +ATOM 120 N SER Y 55 5.750 -1.984 16.024 1.00 31.02 N +ATOM 121 CA SER Y 55 5.293 -0.892 16.846 1.00 32.31 C +ATOM 122 C SER Y 55 6.075 0.368 16.543 1.00 32.47 C +ATOM 123 O SER Y 55 7.304 0.400 16.697 1.00 33.18 O +ATOM 124 CB SER Y 55 5.382 -1.259 18.332 1.00 32.77 C +ATOM 125 OG SER Y 55 4.418 -0.539 19.093 1.00 34.10 O +ATOM 126 N VAL Y 56 5.344 1.387 16.099 1.00 32.07 N +ATOM 127 CA VAL Y 56 5.904 2.688 15.816 1.00 31.90 C +ATOM 128 C VAL Y 56 5.874 3.510 17.091 1.00 31.56 C +ATOM 129 O VAL Y 56 4.831 3.709 17.715 1.00 31.59 O +ATOM 130 CB VAL Y 56 5.158 3.446 14.674 1.00 32.29 C +ATOM 131 CG1 VAL Y 56 5.879 4.777 14.345 1.00 32.44 C +ATOM 132 CG2 VAL Y 56 5.046 2.580 13.415 1.00 32.16 C +ATOM 133 N LEU Y 57 7.047 4.013 17.433 1.00 31.08 N +ATOM 134 CA LEU Y 57 7.313 4.618 18.715 1.00 30.58 C +ATOM 135 C LEU Y 57 7.452 6.122 18.573 1.00 29.94 C +ATOM 136 O LEU Y 57 8.080 6.599 17.634 1.00 30.73 O +ATOM 137 CB LEU Y 57 8.627 4.033 19.249 1.00 30.86 C +ATOM 138 CG LEU Y 57 8.609 2.501 19.371 1.00 31.42 C +ATOM 139 CD1 LEU Y 57 9.880 1.825 18.830 1.00 31.13 C +ATOM 140 CD2 LEU Y 57 8.316 2.112 20.820 1.00 32.30 C +ATOM 141 N ASP Y 58 6.870 6.867 19.503 1.00 28.69 N +ATOM 142 CA ASP Y 58 7.164 8.278 19.633 1.00 27.62 C +ATOM 143 C ASP Y 58 8.584 8.438 20.221 1.00 26.85 C +ATOM 144 O ASP Y 58 8.830 8.089 21.384 1.00 27.21 O +ATOM 145 CB ASP Y 58 6.102 8.935 20.524 1.00 27.84 C +ATOM 146 CG ASP Y 58 6.441 10.374 20.922 1.00 27.97 C +ATOM 147 OD1 ASP Y 58 7.326 11.017 20.312 1.00 29.84 O +ATOM 148 OD2 ASP Y 58 5.803 10.875 21.865 1.00 27.70 O +ATOM 149 N PRO Y 59 9.528 8.960 19.422 1.00 25.55 N +ATOM 150 CA PRO Y 59 10.890 9.132 19.939 1.00 24.77 C +ATOM 151 C PRO Y 59 10.998 10.086 21.138 1.00 23.87 C +ATOM 152 O PRO Y 59 11.955 9.981 21.921 1.00 23.68 O +ATOM 153 CB PRO Y 59 11.660 9.700 18.738 1.00 25.09 C +ATOM 154 CG PRO Y 59 10.610 10.262 17.814 1.00 25.00 C +ATOM 155 CD PRO Y 59 9.398 9.396 18.019 1.00 25.54 C +ATOM 156 N ALA Y 60 10.041 11.008 21.269 1.00 22.41 N +ATOM 157 CA ALA Y 60 10.034 11.948 22.383 1.00 21.29 C +ATOM 158 C ALA Y 60 9.728 11.198 23.684 1.00 20.86 C +ATOM 159 O ALA Y 60 10.409 11.387 24.699 1.00 19.77 O +ATOM 160 CB ALA Y 60 9.035 13.051 22.137 1.00 21.38 C +ATOM 161 N LYS Y 61 8.731 10.315 23.625 1.00 20.70 N +ATOM 162 CA LYS Y 61 8.403 9.443 24.743 1.00 21.16 C +ATOM 163 C LYS Y 61 9.632 8.671 25.201 1.00 21.41 C +ATOM 164 O LYS Y 61 9.946 8.645 26.412 1.00 21.85 O +ATOM 165 CB LYS Y 61 7.276 8.491 24.367 1.00 21.18 C +ATOM 166 CG LYS Y 61 5.923 9.107 24.585 1.00 22.54 C +ATOM 167 CD LYS Y 61 4.827 8.450 23.768 1.00 25.00 C +ATOM 168 CE LYS Y 61 3.540 9.303 23.795 1.00 25.91 C +ATOM 169 NZ LYS Y 61 2.396 8.585 23.161 1.00 26.94 N +ATOM 170 N VAL Y 62 10.343 8.095 24.225 1.00 20.90 N +ATOM 171 CA VAL Y 62 11.508 7.269 24.480 1.00 20.19 C +ATOM 172 C VAL Y 62 12.592 8.086 25.150 1.00 20.89 C +ATOM 173 O VAL Y 62 13.152 7.667 26.175 1.00 21.01 O +ATOM 174 CB VAL Y 62 12.071 6.623 23.188 1.00 19.91 C +ATOM 175 CG1 VAL Y 62 13.352 5.918 23.507 1.00 18.67 C +ATOM 176 CG2 VAL Y 62 11.057 5.632 22.538 1.00 17.83 C +ATOM 177 N GLN Y 63 12.880 9.256 24.585 1.00 21.29 N +ATOM 178 CA GLN Y 63 13.953 10.095 25.111 1.00 21.67 C +ATOM 179 C GLN Y 63 13.680 10.551 26.552 1.00 22.01 C +ATOM 180 O GLN Y 63 14.593 10.598 27.377 1.00 21.78 O +ATOM 181 CB GLN Y 63 14.216 11.299 24.199 1.00 21.74 C +ATOM 182 CG GLN Y 63 15.490 12.061 24.578 1.00 21.04 C +ATOM 183 CD GLN Y 63 16.681 11.127 24.688 1.00 20.21 C +ATOM 184 OE1 GLN Y 63 17.059 10.471 23.711 1.00 19.83 O +ATOM 185 NE2 GLN Y 63 17.260 11.037 25.882 1.00 19.66 N +ATOM 186 N SER Y 64 12.419 10.864 26.842 1.00 22.54 N +ATOM 187 CA SER Y 64 11.996 11.170 28.208 1.00 23.30 C +ATOM 188 C SER Y 64 12.217 10.008 29.164 1.00 23.87 C +ATOM 189 O SER Y 64 12.600 10.197 30.315 1.00 24.25 O +ATOM 190 CB SER Y 64 10.536 11.585 28.232 1.00 22.83 C +ATOM 191 OG SER Y 64 10.443 12.972 28.013 1.00 22.65 O +ATOM 192 N LEU Y 65 11.991 8.797 28.673 1.00 24.37 N +ATOM 193 CA LEU Y 65 12.241 7.614 29.482 1.00 24.62 C +ATOM 194 C LEU Y 65 13.739 7.362 29.728 1.00 24.96 C +ATOM 195 O LEU Y 65 14.141 7.191 30.885 1.00 24.77 O +ATOM 196 CB LEU Y 65 11.507 6.389 28.913 1.00 24.05 C +ATOM 197 CG LEU Y 65 10.006 6.344 29.274 1.00 23.75 C +ATOM 198 CD1 LEU Y 65 9.155 5.842 28.112 1.00 24.39 C +ATOM 199 CD2 LEU Y 65 9.677 5.546 30.550 1.00 22.48 C +ATOM 200 N VAL Y 66 14.556 7.360 28.668 1.00 25.65 N +ATOM 201 CA VAL Y 66 16.025 7.299 28.840 1.00 26.42 C +ATOM 202 C VAL Y 66 16.445 8.316 29.898 1.00 27.38 C +ATOM 203 O VAL Y 66 17.197 7.989 30.826 1.00 27.54 O +ATOM 204 CB VAL Y 66 16.824 7.572 27.543 1.00 26.06 C +ATOM 205 CG1 VAL Y 66 18.287 7.724 27.847 1.00 26.18 C +ATOM 206 CG2 VAL Y 66 16.649 6.462 26.548 1.00 26.22 C +ATOM 207 N ASP Y 67 15.925 9.536 29.778 1.00 28.22 N +ATOM 208 CA ASP Y 67 16.261 10.581 30.725 1.00 29.48 C +ATOM 209 C ASP Y 67 15.963 10.139 32.140 1.00 30.19 C +ATOM 210 O ASP Y 67 16.875 10.063 32.974 1.00 30.45 O +ATOM 211 CB ASP Y 67 15.538 11.892 30.394 1.00 29.71 C +ATOM 212 CG ASP Y 67 16.108 12.572 29.161 1.00 29.89 C +ATOM 213 OD1 ASP Y 67 17.260 12.264 28.782 1.00 28.93 O +ATOM 214 OD2 ASP Y 67 15.398 13.400 28.561 1.00 29.83 O +ATOM 215 N THR Y 68 14.695 9.821 32.403 1.00 30.71 N +ATOM 216 CA THR Y 68 14.264 9.519 33.764 1.00 31.25 C +ATOM 217 C THR Y 68 15.055 8.336 34.327 1.00 31.60 C +ATOM 218 O THR Y 68 15.527 8.393 35.468 1.00 31.60 O +ATOM 219 CB THR Y 68 12.734 9.297 33.870 1.00 31.31 C +ATOM 220 OG1 THR Y 68 12.062 10.158 32.948 1.00 31.82 O +ATOM 221 CG2 THR Y 68 12.241 9.630 35.264 1.00 31.04 C +ATOM 222 N ILE Y 69 15.239 7.295 33.512 1.00 31.86 N +ATOM 223 CA ILE Y 69 16.021 6.121 33.924 1.00 32.32 C +ATOM 224 C ILE Y 69 17.372 6.465 34.587 1.00 32.98 C +ATOM 225 O ILE Y 69 17.628 6.039 35.715 1.00 32.63 O +ATOM 226 CB ILE Y 69 16.232 5.123 32.765 1.00 32.05 C +ATOM 227 CG1 ILE Y 69 15.023 4.220 32.604 1.00 30.28 C +ATOM 228 CG2 ILE Y 69 17.472 4.245 33.001 1.00 32.72 C +ATOM 229 CD1 ILE Y 69 14.884 3.739 31.220 1.00 28.99 C +ATOM 230 N ARG Y 70 18.222 7.229 33.898 1.00 33.75 N +ATOM 231 CA ARG Y 70 19.545 7.506 34.431 1.00 34.87 C +ATOM 232 C ARG Y 70 19.435 8.304 35.730 1.00 35.34 C +ATOM 233 O ARG Y 70 20.256 8.131 36.628 1.00 35.45 O +ATOM 234 CB ARG Y 70 20.483 8.145 33.383 1.00 35.02 C +ATOM 235 CG ARG Y 70 20.342 9.660 33.112 1.00 35.76 C +ATOM 236 CD ARG Y 70 21.534 10.204 32.285 1.00 36.12 C +ATOM 237 NE ARG Y 70 21.302 10.192 30.831 1.00 38.71 N +ATOM 238 CZ ARG Y 70 21.580 9.174 30.002 1.00 39.49 C +ATOM 239 NH1 ARG Y 70 22.107 8.042 30.461 1.00 39.86 N +ATOM 240 NH2 ARG Y 70 21.328 9.285 28.697 1.00 38.29 N +ATOM 241 N GLU Y 71 18.394 9.133 35.846 1.00 35.77 N +ATOM 242 CA GLU Y 71 18.128 9.874 37.085 1.00 36.34 C +ATOM 243 C GLU Y 71 17.528 9.000 38.193 1.00 35.87 C +ATOM 244 O GLU Y 71 18.138 8.833 39.249 1.00 36.16 O +ATOM 245 CB GLU Y 71 17.187 11.050 36.833 1.00 36.86 C +ATOM 246 CG GLU Y 71 17.438 11.798 35.542 1.00 39.79 C +ATOM 247 CD GLU Y 71 18.650 12.699 35.608 1.00 42.44 C +ATOM 248 OE1 GLU Y 71 18.459 13.928 35.458 1.00 42.99 O +ATOM 249 OE2 GLU Y 71 19.777 12.176 35.807 1.00 43.36 O +ATOM 250 N ASP Y 72 16.335 8.457 37.950 1.00 34.98 N +ATOM 251 CA ASP Y 72 15.574 7.757 38.972 1.00 34.32 C +ATOM 252 C ASP Y 72 15.041 6.427 38.423 1.00 33.98 C +ATOM 253 O ASP Y 72 13.847 6.327 38.092 1.00 34.05 O +ATOM 254 CB ASP Y 72 14.430 8.661 39.442 1.00 34.47 C +ATOM 255 CG ASP Y 72 13.602 8.055 40.572 1.00 35.05 C +ATOM 256 OD1 ASP Y 72 13.722 6.838 40.850 1.00 35.71 O +ATOM 257 OD2 ASP Y 72 12.805 8.810 41.178 1.00 35.26 O +ATOM 258 N PRO Y 73 15.913 5.393 38.338 1.00 33.26 N +ATOM 259 CA PRO Y 73 15.519 4.171 37.635 1.00 32.81 C +ATOM 260 C PRO Y 73 14.349 3.496 38.325 1.00 32.54 C +ATOM 261 O PRO Y 73 13.566 2.795 37.681 1.00 32.48 O +ATOM 262 CB PRO Y 73 16.768 3.282 37.718 1.00 32.74 C +ATOM 263 CG PRO Y 73 17.880 4.195 38.072 1.00 32.82 C +ATOM 264 CD PRO Y 73 17.269 5.281 38.896 1.00 33.01 C +ATOM 265 N ASP Y 74 14.213 3.725 39.626 1.00 32.19 N +ATOM 266 CA ASP Y 74 13.145 3.084 40.375 1.00 31.89 C +ATOM 267 C ASP Y 74 11.818 3.845 40.373 1.00 31.46 C +ATOM 268 O ASP Y 74 10.900 3.460 41.087 1.00 31.66 O +ATOM 269 CB ASP Y 74 13.611 2.745 41.793 1.00 32.31 C +ATOM 270 CG ASP Y 74 14.618 1.594 41.818 1.00 32.17 C +ATOM 271 OD1 ASP Y 74 15.208 1.278 40.764 1.00 31.95 O +ATOM 272 OD2 ASP Y 74 14.821 1.001 42.896 1.00 32.07 O +ATOM 273 N SER Y 75 11.711 4.906 39.568 1.00 30.55 N +ATOM 274 CA SER Y 75 10.414 5.526 39.318 1.00 29.68 C +ATOM 275 C SER Y 75 9.807 5.019 38.002 1.00 29.19 C +ATOM 276 O SER Y 75 8.694 5.416 37.616 1.00 29.24 O +ATOM 277 CB SER Y 75 10.494 7.060 39.358 1.00 30.03 C +ATOM 278 OG SER Y 75 11.151 7.610 38.225 1.00 29.96 O +ATOM 279 N VAL Y 76 10.535 4.124 37.337 1.00 27.86 N +ATOM 280 CA VAL Y 76 10.114 3.543 36.074 1.00 26.65 C +ATOM 281 C VAL Y 76 9.635 2.099 36.314 1.00 26.31 C +ATOM 282 O VAL Y 76 10.424 1.220 36.660 1.00 26.10 O +ATOM 283 CB VAL Y 76 11.275 3.637 35.046 1.00 26.82 C +ATOM 284 CG1 VAL Y 76 10.935 2.968 33.719 1.00 25.19 C +ATOM 285 CG2 VAL Y 76 11.667 5.099 34.831 1.00 26.64 C +ATOM 286 N PRO Y 77 8.331 1.838 36.135 1.00 25.99 N +ATOM 287 CA PRO Y 77 7.838 0.553 36.607 1.00 25.68 C +ATOM 288 C PRO Y 77 8.196 -0.559 35.637 1.00 25.28 C +ATOM 289 O PRO Y 77 8.346 -0.312 34.445 1.00 24.92 O +ATOM 290 CB PRO Y 77 6.327 0.762 36.639 1.00 25.68 C +ATOM 291 CG PRO Y 77 6.062 1.704 35.544 1.00 24.98 C +ATOM 292 CD PRO Y 77 7.264 2.621 35.489 1.00 26.18 C +ATOM 293 N PRO Y 78 8.309 -1.787 36.142 1.00 25.32 N +ATOM 294 CA PRO Y 78 8.774 -2.890 35.309 1.00 25.23 C +ATOM 295 C PRO Y 78 7.750 -3.245 34.249 1.00 25.17 C +ATOM 296 O PRO Y 78 6.555 -2.967 34.415 1.00 25.41 O +ATOM 297 CB PRO Y 78 8.961 -4.039 36.307 1.00 24.95 C +ATOM 298 CG PRO Y 78 8.070 -3.732 37.439 1.00 25.13 C +ATOM 299 CD PRO Y 78 7.990 -2.219 37.516 1.00 25.76 C +ATOM 300 N ILE Y 79 8.223 -3.836 33.158 1.00 24.97 N +ATOM 301 CA ILE Y 79 7.360 -4.171 32.035 1.00 24.77 C +ATOM 302 C ILE Y 79 6.747 -5.511 32.317 1.00 24.79 C +ATOM 303 O ILE Y 79 7.118 -6.164 33.278 1.00 25.17 O +ATOM 304 CB ILE Y 79 8.144 -4.185 30.722 1.00 24.74 C +ATOM 305 CG1 ILE Y 79 9.143 -5.352 30.689 1.00 25.15 C +ATOM 306 CG2 ILE Y 79 8.886 -2.863 30.563 1.00 25.07 C +ATOM 307 CD1 ILE Y 79 9.995 -5.436 29.430 1.00 24.75 C +ATOM 308 N ASP Y 80 5.791 -5.919 31.505 1.00 25.09 N +ATOM 309 CA ASP Y 80 5.236 -7.235 31.654 1.00 25.57 C +ATOM 310 C ASP Y 80 5.680 -8.094 30.493 1.00 26.05 C +ATOM 311 O ASP Y 80 5.715 -7.671 29.331 1.00 26.86 O +ATOM 312 CB ASP Y 80 3.713 -7.207 31.770 1.00 25.60 C +ATOM 313 CG ASP Y 80 3.232 -6.607 33.080 1.00 27.09 C +ATOM 314 OD1 ASP Y 80 3.624 -7.084 34.169 1.00 29.97 O +ATOM 315 OD2 ASP Y 80 2.448 -5.646 33.028 1.00 28.04 O +ATOM 316 N VAL Y 81 6.022 -9.323 30.831 1.00 26.64 N +ATOM 317 CA VAL Y 81 6.619 -10.233 29.893 1.00 26.79 C +ATOM 318 C VAL Y 81 5.832 -11.494 29.970 1.00 26.91 C +ATOM 319 O VAL Y 81 5.743 -12.107 31.033 1.00 26.99 O +ATOM 320 CB VAL Y 81 8.074 -10.522 30.274 1.00 26.55 C +ATOM 321 CG1 VAL Y 81 8.572 -11.790 29.593 1.00 26.00 C +ATOM 322 CG2 VAL Y 81 8.924 -9.334 29.910 1.00 26.72 C +ATOM 323 N LEU Y 82 5.258 -11.872 28.837 1.00 27.13 N +ATOM 324 CA LEU Y 82 4.452 -13.072 28.759 1.00 27.77 C +ATOM 325 C LEU Y 82 5.374 -14.287 28.777 1.00 28.06 C +ATOM 326 O LEU Y 82 6.184 -14.456 27.868 1.00 28.49 O +ATOM 327 CB LEU Y 82 3.617 -13.051 27.476 1.00 27.53 C +ATOM 328 CG LEU Y 82 2.112 -13.209 27.672 1.00 27.84 C +ATOM 329 CD1 LEU Y 82 1.551 -11.938 28.267 1.00 28.60 C +ATOM 330 CD2 LEU Y 82 1.389 -13.520 26.369 1.00 27.61 C +ATOM 331 N TRP Y 83 5.263 -15.114 29.813 1.00 28.69 N +ATOM 332 CA TRP Y 83 5.982 -16.403 29.876 1.00 29.15 C +ATOM 333 C TRP Y 83 5.154 -17.551 29.344 1.00 28.91 C +ATOM 334 O TRP Y 83 4.124 -17.913 29.914 1.00 29.25 O +ATOM 335 CB TRP Y 83 6.449 -16.721 31.300 1.00 29.56 C +ATOM 336 CG TRP Y 83 7.302 -17.948 31.421 1.00 30.05 C +ATOM 337 CD1 TRP Y 83 7.764 -18.750 30.405 1.00 30.89 C +ATOM 338 CD2 TRP Y 83 7.832 -18.498 32.635 1.00 30.73 C +ATOM 339 NE1 TRP Y 83 8.530 -19.773 30.918 1.00 31.00 N +ATOM 340 CE2 TRP Y 83 8.591 -19.643 32.282 1.00 30.68 C +ATOM 341 CE3 TRP Y 83 7.732 -18.142 33.988 1.00 30.31 C +ATOM 342 CZ2 TRP Y 83 9.252 -20.429 33.234 1.00 30.85 C +ATOM 343 CZ3 TRP Y 83 8.387 -18.927 34.934 1.00 30.90 C +ATOM 344 CH2 TRP Y 83 9.141 -20.060 34.550 1.00 30.39 C +ATOM 345 N ILE Y 84 5.651 -18.131 28.262 1.00 28.90 N +ATOM 346 CA ILE Y 84 4.978 -19.195 27.543 1.00 28.94 C +ATOM 347 C ILE Y 84 5.895 -20.418 27.384 1.00 28.97 C +ATOM 348 O ILE Y 84 7.051 -20.309 26.961 1.00 29.21 O +ATOM 349 CB ILE Y 84 4.495 -18.683 26.159 1.00 28.81 C +ATOM 350 CG1 ILE Y 84 3.395 -17.634 26.335 1.00 29.22 C +ATOM 351 CG2 ILE Y 84 3.955 -19.814 25.297 1.00 29.74 C +ATOM 352 CD1 ILE Y 84 3.414 -16.550 25.282 1.00 29.10 C +ATOM 353 N LYS Y 85 5.358 -21.579 27.744 1.00 28.98 N +ATOM 354 CA LYS Y 85 5.998 -22.856 27.493 1.00 28.62 C +ATOM 355 C LYS Y 85 5.368 -23.527 26.288 1.00 28.63 C +ATOM 356 O LYS Y 85 4.146 -23.714 26.231 1.00 28.23 O +ATOM 357 CB LYS Y 85 5.912 -23.760 28.727 1.00 28.59 C +ATOM 358 CG LYS Y 85 7.111 -23.596 29.633 1.00 27.99 C +ATOM 359 CD LYS Y 85 7.347 -24.808 30.507 1.00 27.89 C +ATOM 360 CE LYS Y 85 8.577 -24.605 31.378 1.00 27.17 C +ATOM 361 NZ LYS Y 85 8.412 -23.405 32.226 1.00 25.92 N +ATOM 362 N GLY Y 86 6.210 -23.880 25.323 1.00 28.64 N +ATOM 363 CA GLY Y 86 5.751 -24.559 24.113 1.00 29.01 C +ATOM 364 C GLY Y 86 5.483 -26.038 24.319 1.00 29.28 C +ATOM 365 O GLY Y 86 5.638 -26.562 25.422 1.00 28.87 O +ATOM 366 N ALA Y 87 5.098 -26.710 23.240 1.00 29.70 N +ATOM 367 CA ALA Y 87 4.794 -28.141 23.252 1.00 29.93 C +ATOM 368 C ALA Y 87 5.822 -29.067 23.961 1.00 30.25 C +ATOM 369 O ALA Y 87 5.467 -30.184 24.354 1.00 30.40 O +ATOM 370 CB ALA Y 87 4.523 -28.616 21.842 1.00 29.61 C +ATOM 371 N GLN Y 88 7.065 -28.614 24.145 1.00 30.33 N +ATOM 372 CA GLN Y 88 8.089 -29.416 24.844 1.00 30.87 C +ATOM 373 C GLN Y 88 8.599 -28.691 26.093 1.00 30.74 C +ATOM 374 O GLN Y 88 7.835 -28.045 26.806 1.00 30.99 O +ATOM 375 CB GLN Y 88 9.262 -29.754 23.910 1.00 30.65 C +ATOM 376 CG GLN Y 88 8.890 -30.654 22.715 1.00 31.71 C +ATOM 377 CD GLN Y 88 9.972 -30.736 21.612 1.00 32.29 C +ATOM 378 OE1 GLN Y 88 9.818 -31.498 20.639 1.00 34.33 O +ATOM 379 NE2 GLN Y 88 11.058 -29.954 21.753 1.00 32.49 N +ATOM 380 N GLY Y 89 9.891 -28.794 26.369 1.00 30.62 N +ATOM 381 CA GLY Y 89 10.478 -27.981 27.425 1.00 30.36 C +ATOM 382 C GLY Y 89 10.281 -26.493 27.159 1.00 29.81 C +ATOM 383 O GLY Y 89 10.270 -25.692 28.098 1.00 29.54 O +ATOM 384 N GLY Y 90 10.094 -26.156 25.876 1.00 29.58 N +ATOM 385 CA GLY Y 90 10.150 -24.783 25.314 1.00 29.21 C +ATOM 386 C GLY Y 90 9.884 -23.507 26.114 1.00 28.98 C +ATOM 387 O GLY Y 90 8.726 -23.143 26.374 1.00 28.90 O +ATOM 388 N ASP Y 91 10.960 -22.804 26.468 1.00 28.81 N +ATOM 389 CA ASP Y 91 10.858 -21.499 27.146 1.00 28.66 C +ATOM 390 C ASP Y 91 10.895 -20.298 26.197 1.00 28.39 C +ATOM 391 O ASP Y 91 11.890 -20.060 25.495 1.00 28.14 O +ATOM 392 CB ASP Y 91 11.942 -21.336 28.212 1.00 28.72 C +ATOM 393 CG ASP Y 91 11.480 -21.759 29.589 1.00 30.00 C +ATOM 394 OD1 ASP Y 91 12.334 -21.821 30.510 1.00 31.15 O +ATOM 395 OD2 ASP Y 91 10.264 -22.020 29.754 1.00 30.96 O +ATOM 396 N TYR Y 92 9.805 -19.534 26.201 1.00 27.92 N +ATOM 397 CA TYR Y 92 9.706 -18.321 25.414 1.00 27.22 C +ATOM 398 C TYR Y 92 9.219 -17.225 26.322 1.00 26.92 C +ATOM 399 O TYR Y 92 8.349 -17.462 27.162 1.00 27.00 O +ATOM 400 CB TYR Y 92 8.722 -18.519 24.274 1.00 27.35 C +ATOM 401 CG TYR Y 92 9.039 -19.722 23.420 1.00 27.81 C +ATOM 402 CD1 TYR Y 92 8.689 -21.013 23.823 1.00 27.59 C +ATOM 403 CD2 TYR Y 92 9.713 -19.573 22.218 1.00 27.48 C +ATOM 404 CE1 TYR Y 92 8.997 -22.113 23.026 1.00 27.62 C +ATOM 405 CE2 TYR Y 92 10.025 -20.656 21.424 1.00 26.78 C +ATOM 406 CZ TYR Y 92 9.664 -21.918 21.821 1.00 27.58 C +ATOM 407 OH TYR Y 92 9.987 -22.975 20.997 1.00 28.42 O +ATOM 408 N PHE Y 93 9.799 -16.035 26.163 1.00 26.34 N +ATOM 409 CA PHE Y 93 9.362 -14.841 26.874 1.00 25.30 C +ATOM 410 C PHE Y 93 9.045 -13.694 25.898 1.00 24.74 C +ATOM 411 O PHE Y 93 9.943 -13.079 25.319 1.00 24.83 O +ATOM 412 CB PHE Y 93 10.406 -14.412 27.909 1.00 25.55 C +ATOM 413 CG PHE Y 93 10.890 -15.527 28.793 1.00 25.84 C +ATOM 414 CD1 PHE Y 93 10.194 -15.881 29.936 1.00 27.48 C +ATOM 415 CD2 PHE Y 93 12.059 -16.209 28.493 1.00 25.87 C +ATOM 416 CE1 PHE Y 93 10.661 -16.916 30.753 1.00 27.82 C +ATOM 417 CE2 PHE Y 93 12.533 -17.234 29.309 1.00 25.51 C +ATOM 418 CZ PHE Y 93 11.840 -17.589 30.431 1.00 25.72 C +ATOM 419 N TYR Y 94 7.761 -13.402 25.721 1.00 24.08 N +ATOM 420 CA TYR Y 94 7.348 -12.322 24.830 1.00 23.20 C +ATOM 421 C TYR Y 94 7.297 -10.972 25.551 1.00 23.36 C +ATOM 422 O TYR Y 94 7.340 -10.907 26.780 1.00 23.83 O +ATOM 423 CB TYR Y 94 6.000 -12.639 24.212 1.00 22.27 C +ATOM 424 CG TYR Y 94 6.043 -13.612 23.069 1.00 21.17 C +ATOM 425 CD1 TYR Y 94 5.925 -13.174 21.757 1.00 20.82 C +ATOM 426 CD2 TYR Y 94 6.168 -14.983 23.293 1.00 20.72 C +ATOM 427 CE1 TYR Y 94 5.941 -14.074 20.690 1.00 20.51 C +ATOM 428 CE2 TYR Y 94 6.188 -15.893 22.236 1.00 19.16 C +ATOM 429 CZ TYR Y 94 6.076 -15.432 20.943 1.00 20.56 C +ATOM 430 OH TYR Y 94 6.097 -16.325 19.895 1.00 21.06 O +ATOM 431 N SER Y 95 7.223 -9.896 24.781 1.00 23.24 N +ATOM 432 CA SER Y 95 7.048 -8.576 25.343 1.00 23.29 C +ATOM 433 C SER Y 95 6.314 -7.719 24.353 1.00 23.72 C +ATOM 434 O SER Y 95 6.687 -7.631 23.183 1.00 23.57 O +ATOM 435 CB SER Y 95 8.362 -7.926 25.671 1.00 22.79 C +ATOM 436 OG SER Y 95 8.098 -6.637 26.164 1.00 24.00 O +ATOM 437 N PHE Y 96 5.276 -7.075 24.862 1.00 24.37 N +ATOM 438 CA PHE Y 96 4.237 -6.470 24.062 1.00 24.60 C +ATOM 439 C PHE Y 96 3.959 -5.098 24.645 1.00 25.42 C +ATOM 440 O PHE Y 96 3.671 -4.157 23.914 1.00 25.55 O +ATOM 441 CB PHE Y 96 2.960 -7.294 24.174 1.00 24.10 C +ATOM 442 CG PHE Y 96 3.038 -8.675 23.574 1.00 23.24 C +ATOM 443 CD1 PHE Y 96 3.191 -8.859 22.200 1.00 22.69 C +ATOM 444 CD2 PHE Y 96 2.867 -9.799 24.374 1.00 21.87 C +ATOM 445 CE1 PHE Y 96 3.223 -10.167 21.640 1.00 22.66 C +ATOM 446 CE2 PHE Y 96 2.885 -11.101 23.819 1.00 21.54 C +ATOM 447 CZ PHE Y 96 3.068 -11.284 22.458 1.00 21.01 C +ATOM 448 N GLY Y 97 4.039 -5.000 25.973 1.00 26.27 N +ATOM 449 CA GLY Y 97 3.878 -3.734 26.688 1.00 27.20 C +ATOM 450 C GLY Y 97 5.175 -2.964 26.634 1.00 28.19 C +ATOM 451 O GLY Y 97 5.910 -3.058 25.643 1.00 28.36 O +ATOM 452 N GLY Y 98 5.456 -2.190 27.681 1.00 28.70 N +ATOM 453 CA GLY Y 98 6.684 -1.406 27.758 1.00 29.56 C +ATOM 454 C GLY Y 98 7.317 -1.075 26.409 1.00 30.49 C +ATOM 455 O GLY Y 98 8.542 -1.045 26.288 1.00 30.75 O +ATOM 456 N CYS Y 99 6.491 -0.812 25.395 1.00 31.07 N +ATOM 457 CA CYS Y 99 6.975 -0.475 24.049 1.00 31.83 C +ATOM 458 C CYS Y 99 8.064 0.595 24.116 1.00 30.90 C +ATOM 459 O CYS Y 99 9.202 0.379 23.691 1.00 30.99 O +ATOM 460 CB CYS Y 99 5.804 -0.008 23.179 1.00 32.19 C +ATOM 461 SG CYS Y 99 4.296 -1.010 23.488 1.00 36.97 S +ATOM 462 N HIS Y 100 7.706 1.734 24.688 1.00 30.04 N +ATOM 463 CA HIS Y 100 8.605 2.863 24.804 1.00 29.40 C +ATOM 464 C HIS Y 100 9.691 2.594 25.868 1.00 29.41 C +ATOM 465 O HIS Y 100 10.808 3.113 25.783 1.00 29.50 O +ATOM 466 CB HIS Y 100 7.808 4.152 25.096 1.00 29.18 C +ATOM 467 CG HIS Y 100 6.880 4.571 23.987 1.00 28.76 C +ATOM 468 ND1 HIS Y 100 5.534 4.788 24.185 1.00 28.51 N +ATOM 469 CD2 HIS Y 100 7.106 4.815 22.672 1.00 29.06 C +ATOM 470 CE1 HIS Y 100 4.971 5.147 23.043 1.00 28.91 C +ATOM 471 NE2 HIS Y 100 5.903 5.175 22.109 1.00 28.28 N +ATOM 472 N ARG Y 101 9.365 1.758 26.849 1.00 29.19 N +ATOM 473 CA ARG Y 101 10.303 1.371 27.905 1.00 28.45 C +ATOM 474 C ARG Y 101 11.403 0.457 27.365 1.00 28.41 C +ATOM 475 O ARG Y 101 12.554 0.529 27.807 1.00 27.83 O +ATOM 476 CB ARG Y 101 9.561 0.695 29.077 1.00 28.63 C +ATOM 477 CG ARG Y 101 9.014 1.662 30.136 1.00 27.60 C +ATOM 478 CD ARG Y 101 8.287 0.929 31.247 1.00 27.94 C +ATOM 479 NE ARG Y 101 6.896 0.631 30.902 1.00 28.13 N +ATOM 480 CZ ARG Y 101 6.065 -0.112 31.632 1.00 27.25 C +ATOM 481 NH1 ARG Y 101 6.469 -0.677 32.764 1.00 25.84 N +ATOM 482 NH2 ARG Y 101 4.823 -0.310 31.206 1.00 28.33 N +ATOM 483 N TYR Y 102 11.059 -0.405 26.411 1.00 28.47 N +ATOM 484 CA TYR Y 102 12.066 -1.301 25.880 1.00 28.46 C +ATOM 485 C TYR Y 102 13.089 -0.440 25.168 1.00 28.25 C +ATOM 486 O TYR Y 102 14.257 -0.455 25.554 1.00 27.99 O +ATOM 487 CB TYR Y 102 11.492 -2.403 24.982 1.00 28.79 C +ATOM 488 CG TYR Y 102 12.562 -3.323 24.415 1.00 29.24 C +ATOM 489 CD1 TYR Y 102 13.130 -4.329 25.200 1.00 29.14 C +ATOM 490 CD2 TYR Y 102 13.020 -3.173 23.105 1.00 29.39 C +ATOM 491 CE1 TYR Y 102 14.127 -5.176 24.695 1.00 30.00 C +ATOM 492 CE2 TYR Y 102 14.012 -4.007 22.582 1.00 30.19 C +ATOM 493 CZ TYR Y 102 14.567 -5.011 23.382 1.00 30.98 C +ATOM 494 OH TYR Y 102 15.558 -5.840 22.881 1.00 30.10 O +ATOM 495 N ALA Y 103 12.637 0.359 24.192 1.00 28.11 N +ATOM 496 CA ALA Y 103 13.537 1.223 23.395 1.00 27.91 C +ATOM 497 C ALA Y 103 14.448 2.031 24.294 1.00 28.06 C +ATOM 498 O ALA Y 103 15.643 2.141 24.034 1.00 28.14 O +ATOM 499 CB ALA Y 103 12.764 2.144 22.492 1.00 27.66 C +ATOM 500 N ALA Y 104 13.879 2.572 25.365 1.00 28.00 N +ATOM 501 CA ALA Y 104 14.638 3.354 26.321 1.00 28.18 C +ATOM 502 C ALA Y 104 15.819 2.556 26.869 1.00 28.62 C +ATOM 503 O ALA Y 104 16.939 3.076 26.963 1.00 29.18 O +ATOM 504 CB ALA Y 104 13.746 3.812 27.440 1.00 28.10 C +ATOM 505 N TYR Y 105 15.564 1.296 27.215 1.00 28.54 N +ATOM 506 CA TYR Y 105 16.593 0.404 27.740 1.00 28.67 C +ATOM 507 C TYR Y 105 17.584 -0.068 26.675 1.00 28.96 C +ATOM 508 O TYR Y 105 18.769 -0.159 26.941 1.00 29.15 O +ATOM 509 CB TYR Y 105 15.962 -0.780 28.492 1.00 28.34 C +ATOM 510 CG TYR Y 105 15.687 -0.450 29.937 1.00 27.46 C +ATOM 511 CD1 TYR Y 105 14.495 0.168 30.335 1.00 26.86 C +ATOM 512 CD2 TYR Y 105 16.637 -0.705 30.899 1.00 26.42 C +ATOM 513 CE1 TYR Y 105 14.265 0.496 31.682 1.00 26.47 C +ATOM 514 CE2 TYR Y 105 16.420 -0.386 32.234 1.00 26.81 C +ATOM 515 CZ TYR Y 105 15.248 0.213 32.621 1.00 27.25 C +ATOM 516 OH TYR Y 105 15.095 0.495 33.957 1.00 28.11 O +ATOM 517 N GLN Y 106 17.116 -0.338 25.467 1.00 29.39 N +ATOM 518 CA GLN Y 106 18.039 -0.703 24.406 1.00 30.12 C +ATOM 519 C GLN Y 106 18.732 0.512 23.773 1.00 30.21 C +ATOM 520 O GLN Y 106 19.767 0.354 23.133 1.00 30.29 O +ATOM 521 CB GLN Y 106 17.373 -1.589 23.343 1.00 30.11 C +ATOM 522 CG GLN Y 106 16.508 -0.836 22.345 1.00 31.37 C +ATOM 523 CD GLN Y 106 16.301 -1.601 21.040 1.00 33.64 C +ATOM 524 OE1 GLN Y 106 15.417 -1.263 20.243 1.00 33.32 O +ATOM 525 NE2 GLN Y 106 17.122 -2.633 20.811 1.00 34.36 N +ATOM 526 N GLN Y 107 18.181 1.711 23.945 1.00 30.58 N +ATOM 527 CA GLN Y 107 18.845 2.910 23.423 1.00 31.00 C +ATOM 528 C GLN Y 107 20.032 3.182 24.313 1.00 31.29 C +ATOM 529 O GLN Y 107 21.103 3.565 23.845 1.00 31.18 O +ATOM 530 CB GLN Y 107 17.935 4.125 23.412 1.00 31.04 C +ATOM 531 CG GLN Y 107 18.409 5.220 22.470 1.00 30.98 C +ATOM 532 CD GLN Y 107 18.209 6.622 23.037 1.00 30.41 C +ATOM 533 OE1 GLN Y 107 18.917 7.049 23.954 1.00 29.12 O +ATOM 534 NE2 GLN Y 107 17.248 7.350 22.479 1.00 30.94 N +ATOM 535 N LEU Y 108 19.836 2.975 25.607 1.00 31.61 N +ATOM 536 CA LEU Y 108 20.957 2.825 26.493 1.00 32.03 C +ATOM 537 C LEU Y 108 21.628 1.483 26.155 1.00 32.58 C +ATOM 538 O LEU Y 108 21.224 0.802 25.215 1.00 32.49 O +ATOM 539 CB LEU Y 108 20.499 2.911 27.948 1.00 32.11 C +ATOM 540 CG LEU Y 108 19.963 4.274 28.421 1.00 32.04 C +ATOM 541 CD1 LEU Y 108 19.803 4.292 29.926 1.00 31.87 C +ATOM 542 CD2 LEU Y 108 20.856 5.431 27.983 1.00 31.57 C +ATOM 543 N GLN Y 109 22.668 1.120 26.893 1.00 33.25 N +ATOM 544 CA GLN Y 109 23.462 -0.075 26.593 1.00 34.00 C +ATOM 545 C GLN Y 109 22.794 -1.323 27.140 1.00 33.69 C +ATOM 546 O GLN Y 109 23.025 -2.430 26.643 1.00 33.81 O +ATOM 547 CB GLN Y 109 24.841 0.032 27.244 1.00 34.70 C +ATOM 548 CG GLN Y 109 25.211 1.438 27.760 1.00 37.53 C +ATOM 549 CD GLN Y 109 24.579 1.807 29.124 1.00 40.75 C +ATOM 550 OE1 GLN Y 109 24.822 1.143 30.141 1.00 41.73 O +ATOM 551 NE2 GLN Y 109 23.795 2.896 29.144 1.00 41.37 N +ATOM 552 N ARG Y 110 21.943 -1.100 28.146 1.00 32.98 N +ATOM 553 CA ARG Y 110 21.506 -2.085 29.149 1.00 31.93 C +ATOM 554 C ARG Y 110 21.352 -3.520 28.700 1.00 31.50 C +ATOM 555 O ARG Y 110 20.737 -3.799 27.661 1.00 31.27 O +ATOM 556 CB ARG Y 110 20.220 -1.605 29.816 1.00 31.65 C +ATOM 557 CG ARG Y 110 20.256 -0.132 30.166 1.00 31.65 C +ATOM 558 CD ARG Y 110 21.334 0.182 31.168 1.00 30.49 C +ATOM 559 NE ARG Y 110 20.766 0.253 32.500 1.00 31.24 N +ATOM 560 CZ ARG Y 110 20.626 1.383 33.189 1.00 32.60 C +ATOM 561 NH1 ARG Y 110 21.028 2.546 32.671 1.00 32.63 N +ATOM 562 NH2 ARG Y 110 20.078 1.355 34.401 1.00 31.50 N +ATOM 563 N GLU Y 111 21.919 -4.417 29.509 1.00 30.81 N +ATOM 564 CA GLU Y 111 21.806 -5.863 29.314 1.00 30.52 C +ATOM 565 C GLU Y 111 20.428 -6.376 29.768 1.00 29.97 C +ATOM 566 O GLU Y 111 19.763 -7.142 29.047 1.00 29.80 O +ATOM 567 CB GLU Y 111 22.918 -6.601 30.076 1.00 30.59 C +ATOM 568 CG GLU Y 111 24.334 -6.008 29.914 1.00 32.34 C +ATOM 569 CD GLU Y 111 25.136 -6.563 28.714 1.00 33.23 C +ATOM 570 OE1 GLU Y 111 26.350 -6.820 28.904 1.00 34.44 O +ATOM 571 OE2 GLU Y 111 24.581 -6.735 27.600 1.00 30.92 O +ATOM 572 N THR Y 112 20.011 -5.953 30.965 1.00 29.03 N +ATOM 573 CA THR Y 112 18.735 -6.378 31.521 1.00 28.22 C +ATOM 574 C THR Y 112 17.731 -5.239 31.669 1.00 27.87 C +ATOM 575 O THR Y 112 18.082 -4.061 31.743 1.00 27.79 O +ATOM 576 CB THR Y 112 18.874 -7.023 32.913 1.00 28.18 C +ATOM 577 OG1 THR Y 112 19.157 -6.011 33.877 1.00 28.08 O +ATOM 578 CG2 THR Y 112 19.960 -8.073 32.945 1.00 28.34 C +ATOM 579 N ILE Y 113 16.464 -5.620 31.727 1.00 27.08 N +ATOM 580 CA ILE Y 113 15.412 -4.690 32.052 1.00 25.94 C +ATOM 581 C ILE Y 113 14.572 -5.287 33.189 1.00 25.32 C +ATOM 582 O ILE Y 113 14.318 -6.500 33.204 1.00 25.17 O +ATOM 583 CB ILE Y 113 14.586 -4.318 30.784 1.00 26.12 C +ATOM 584 CG1 ILE Y 113 13.432 -3.365 31.121 1.00 25.59 C +ATOM 585 CG2 ILE Y 113 14.127 -5.562 30.019 1.00 25.99 C +ATOM 586 CD1 ILE Y 113 12.682 -2.887 29.916 1.00 25.49 C +ATOM 587 N PRO Y 114 14.196 -4.453 34.176 1.00 24.41 N +ATOM 588 CA PRO Y 114 13.270 -4.889 35.204 1.00 24.30 C +ATOM 589 C PRO Y 114 11.931 -5.311 34.591 1.00 24.14 C +ATOM 590 O PRO Y 114 11.313 -4.515 33.847 1.00 24.42 O +ATOM 591 CB PRO Y 114 13.095 -3.623 36.064 1.00 24.60 C +ATOM 592 CG PRO Y 114 14.342 -2.848 35.855 1.00 24.12 C +ATOM 593 CD PRO Y 114 14.643 -3.069 34.407 1.00 24.44 C +ATOM 594 N ALA Y 115 11.497 -6.542 34.877 1.00 23.09 N +ATOM 595 CA ALA Y 115 10.217 -7.019 34.368 1.00 22.71 C +ATOM 596 C ALA Y 115 9.457 -7.940 35.334 1.00 22.76 C +ATOM 597 O ALA Y 115 10.058 -8.640 36.148 1.00 22.63 O +ATOM 598 CB ALA Y 115 10.401 -7.678 33.022 1.00 22.37 C +ATOM 599 N LYS Y 116 8.128 -7.892 35.256 1.00 22.75 N +ATOM 600 CA LYS Y 116 7.264 -8.854 35.924 1.00 22.74 C +ATOM 601 C LYS Y 116 7.017 -9.987 34.949 1.00 22.53 C +ATOM 602 O LYS Y 116 6.754 -9.755 33.766 1.00 22.21 O +ATOM 603 CB LYS Y 116 5.918 -8.220 36.295 1.00 23.19 C +ATOM 604 CG LYS Y 116 5.778 -7.685 37.715 1.00 23.73 C +ATOM 605 CD LYS Y 116 4.290 -7.579 38.087 1.00 26.33 C +ATOM 606 CE LYS Y 116 3.624 -6.267 37.602 1.00 27.40 C +ATOM 607 NZ LYS Y 116 4.141 -5.069 38.355 1.00 27.18 N +ATOM 608 N LEU Y 117 7.081 -11.214 35.442 1.00 22.77 N +ATOM 609 CA LEU Y 117 6.875 -12.377 34.583 1.00 22.95 C +ATOM 610 C LEU Y 117 5.436 -12.908 34.675 1.00 23.35 C +ATOM 611 O LEU Y 117 4.868 -12.985 35.757 1.00 23.49 O +ATOM 612 CB LEU Y 117 7.895 -13.457 34.931 1.00 22.87 C +ATOM 613 CG LEU Y 117 9.309 -13.435 34.328 1.00 22.95 C +ATOM 614 CD1 LEU Y 117 9.569 -14.672 33.488 1.00 24.21 C +ATOM 615 CD2 LEU Y 117 9.600 -12.190 33.527 1.00 22.39 C +ATOM 616 N VAL Y 118 4.845 -13.261 33.539 1.00 23.91 N +ATOM 617 CA VAL Y 118 3.468 -13.714 33.507 1.00 24.71 C +ATOM 618 C VAL Y 118 3.354 -15.025 32.756 1.00 25.79 C +ATOM 619 O VAL Y 118 3.538 -15.058 31.550 1.00 25.81 O +ATOM 620 CB VAL Y 118 2.522 -12.667 32.844 1.00 24.59 C +ATOM 621 CG1 VAL Y 118 1.098 -13.214 32.711 1.00 24.35 C +ATOM 622 CG2 VAL Y 118 2.493 -11.378 33.646 1.00 23.96 C +ATOM 623 N GLN Y 119 3.034 -16.100 33.471 1.00 27.07 N +ATOM 624 CA GLN Y 119 2.733 -17.379 32.839 1.00 28.20 C +ATOM 625 C GLN Y 119 1.495 -17.217 31.981 1.00 28.77 C +ATOM 626 O GLN Y 119 0.600 -16.444 32.321 1.00 28.96 O +ATOM 627 CB GLN Y 119 2.508 -18.467 33.881 1.00 28.30 C +ATOM 628 CG GLN Y 119 3.702 -18.697 34.813 1.00 30.02 C +ATOM 629 CD GLN Y 119 3.892 -20.175 35.175 1.00 32.47 C +ATOM 630 OE1 GLN Y 119 3.914 -20.551 36.360 1.00 32.22 O +ATOM 631 NE2 GLN Y 119 4.029 -21.021 34.145 1.00 33.25 N +ATOM 632 N SER Y 120 1.456 -17.929 30.860 1.00 29.29 N +ATOM 633 CA SER Y 120 0.379 -17.784 29.898 1.00 30.05 C +ATOM 634 C SER Y 120 0.240 -19.022 29.047 1.00 30.86 C +ATOM 635 O SER Y 120 1.185 -19.800 28.893 1.00 31.05 O +ATOM 636 CB SER Y 120 0.634 -16.589 28.974 1.00 30.37 C +ATOM 637 OG SER Y 120 0.079 -15.392 29.489 1.00 29.95 O +ATOM 638 N THR Y 121 -0.948 -19.184 28.475 1.00 31.72 N +ATOM 639 CA THR Y 121 -1.266 -20.323 27.615 1.00 32.53 C +ATOM 640 C THR Y 121 -0.685 -20.059 26.220 1.00 32.61 C +ATOM 641 O THR Y 121 0.263 -19.289 26.083 1.00 32.81 O +ATOM 642 CB THR Y 121 -2.810 -20.537 27.522 1.00 32.69 C +ATOM 643 OG1 THR Y 121 -3.404 -19.472 26.765 1.00 33.26 O +ATOM 644 CG2 THR Y 121 -3.451 -20.571 28.916 1.00 33.06 C +ATOM 645 N LEU Y 122 -1.242 -20.711 25.200 1.00 32.62 N +ATOM 646 CA LEU Y 122 -0.980 -20.354 23.812 1.00 32.50 C +ATOM 647 C LEU Y 122 -2.174 -19.590 23.254 1.00 32.20 C +ATOM 648 O LEU Y 122 -2.054 -18.885 22.252 1.00 32.23 O +ATOM 649 CB LEU Y 122 -0.722 -21.595 22.958 1.00 32.68 C +ATOM 650 CG LEU Y 122 0.463 -22.523 23.253 1.00 34.24 C +ATOM 651 CD1 LEU Y 122 0.405 -23.769 22.324 1.00 35.24 C +ATOM 652 CD2 LEU Y 122 1.833 -21.804 23.151 1.00 34.40 C +ATOM 653 N SER Y 123 -3.329 -19.748 23.894 1.00 31.87 N +ATOM 654 CA SER Y 123 -4.518 -18.986 23.526 1.00 31.94 C +ATOM 655 C SER Y 123 -4.299 -17.545 23.918 1.00 31.33 C +ATOM 656 O SER Y 123 -4.654 -16.643 23.166 1.00 31.53 O +ATOM 657 CB SER Y 123 -5.772 -19.539 24.204 1.00 32.21 C +ATOM 658 OG SER Y 123 -5.943 -20.896 23.846 1.00 33.63 O +ATOM 659 N ASP Y 124 -3.706 -17.344 25.095 1.00 30.58 N +ATOM 660 CA ASP Y 124 -3.194 -16.046 25.498 1.00 29.74 C +ATOM 661 C ASP Y 124 -2.380 -15.460 24.359 1.00 28.76 C +ATOM 662 O ASP Y 124 -2.631 -14.350 23.923 1.00 28.85 O +ATOM 663 CB ASP Y 124 -2.331 -16.179 26.754 1.00 30.28 C +ATOM 664 CG ASP Y 124 -3.154 -16.422 28.011 1.00 31.55 C +ATOM 665 OD1 ASP Y 124 -4.366 -16.134 27.989 1.00 32.15 O +ATOM 666 OD2 ASP Y 124 -2.588 -16.889 29.026 1.00 33.31 O +ATOM 667 N LEU Y 125 -1.427 -16.229 23.850 1.00 27.92 N +ATOM 668 CA LEU Y 125 -0.594 -15.770 22.752 1.00 26.72 C +ATOM 669 C LEU Y 125 -1.418 -15.472 21.510 1.00 26.74 C +ATOM 670 O LEU Y 125 -1.186 -14.463 20.847 1.00 26.66 O +ATOM 671 CB LEU Y 125 0.517 -16.774 22.446 1.00 26.15 C +ATOM 672 CG LEU Y 125 1.648 -16.303 21.529 1.00 24.48 C +ATOM 673 CD1 LEU Y 125 2.521 -15.220 22.156 1.00 23.90 C +ATOM 674 CD2 LEU Y 125 2.489 -17.460 21.144 1.00 22.35 C +ATOM 675 N ARG Y 126 -2.383 -16.338 21.203 1.00 26.86 N +ATOM 676 CA ARG Y 126 -3.173 -16.218 19.970 1.00 27.02 C +ATOM 677 C ARG Y 126 -3.858 -14.839 19.871 1.00 26.59 C +ATOM 678 O ARG Y 126 -3.953 -14.256 18.795 1.00 26.72 O +ATOM 679 CB ARG Y 126 -4.158 -17.382 19.853 1.00 26.85 C +ATOM 680 CG ARG Y 126 -4.699 -17.639 18.444 1.00 28.48 C +ATOM 681 CD ARG Y 126 -5.135 -19.109 18.196 1.00 28.37 C +ATOM 682 NE ARG Y 126 -3.996 -20.018 18.009 1.00 31.52 N +ATOM 683 CZ ARG Y 126 -3.233 -20.085 16.908 1.00 32.71 C +ATOM 684 NH1 ARG Y 126 -3.461 -19.296 15.858 1.00 31.91 N +ATOM 685 NH2 ARG Y 126 -2.224 -20.953 16.852 1.00 32.55 N +ATOM 686 N VAL Y 127 -4.272 -14.305 21.016 1.00 26.37 N +ATOM 687 CA VAL Y 127 -4.802 -12.940 21.133 1.00 25.96 C +ATOM 688 C VAL Y 127 -3.845 -11.879 20.552 1.00 25.77 C +ATOM 689 O VAL Y 127 -4.275 -10.878 19.992 1.00 26.17 O +ATOM 690 CB VAL Y 127 -5.119 -12.591 22.622 1.00 25.94 C +ATOM 691 CG1 VAL Y 127 -5.703 -11.172 22.774 1.00 24.86 C +ATOM 692 CG2 VAL Y 127 -6.047 -13.636 23.233 1.00 26.33 C +ATOM 693 N TYR Y 128 -2.549 -12.094 20.680 1.00 25.13 N +ATOM 694 CA TYR Y 128 -1.600 -11.120 20.191 1.00 24.69 C +ATOM 695 C TYR Y 128 -1.209 -11.367 18.718 1.00 24.60 C +ATOM 696 O TYR Y 128 -1.087 -10.421 17.939 1.00 25.00 O +ATOM 697 CB TYR Y 128 -0.393 -11.032 21.143 1.00 24.63 C +ATOM 698 CG TYR Y 128 -0.813 -10.653 22.550 1.00 25.09 C +ATOM 699 CD1 TYR Y 128 -1.098 -11.634 23.521 1.00 24.73 C +ATOM 700 CD2 TYR Y 128 -0.982 -9.314 22.902 1.00 25.61 C +ATOM 701 CE1 TYR Y 128 -1.519 -11.281 24.806 1.00 24.08 C +ATOM 702 CE2 TYR Y 128 -1.404 -8.944 24.181 1.00 25.10 C +ATOM 703 CZ TYR Y 128 -1.667 -9.926 25.128 1.00 25.55 C +ATOM 704 OH TYR Y 128 -2.083 -9.525 26.384 1.00 25.82 O +ATOM 705 N LEU Y 129 -1.064 -12.626 18.317 1.00 23.93 N +ATOM 706 CA LEU Y 129 -0.402 -12.911 17.043 1.00 23.47 C +ATOM 707 C LEU Y 129 -1.317 -13.423 15.930 1.00 23.28 C +ATOM 708 O LEU Y 129 -0.907 -13.497 14.770 1.00 22.81 O +ATOM 709 CB LEU Y 129 0.812 -13.841 17.248 1.00 23.34 C +ATOM 710 CG LEU Y 129 1.896 -13.463 18.271 1.00 23.09 C +ATOM 711 CD1 LEU Y 129 3.139 -14.313 18.058 1.00 22.38 C +ATOM 712 CD2 LEU Y 129 2.260 -11.973 18.237 1.00 21.59 C +ATOM 713 N GLY Y 130 -2.549 -13.781 16.281 1.00 23.42 N +ATOM 714 CA GLY Y 130 -3.518 -14.276 15.297 1.00 23.72 C +ATOM 715 C GLY Y 130 -2.938 -15.347 14.392 1.00 23.74 C +ATOM 716 O GLY Y 130 -2.348 -16.312 14.869 1.00 24.39 O +ATOM 717 N ALA Y 131 -3.076 -15.174 13.083 1.00 23.62 N +ATOM 718 CA ALA Y 131 -2.570 -16.171 12.137 1.00 23.46 C +ATOM 719 C ALA Y 131 -1.026 -16.203 12.080 1.00 23.37 C +ATOM 720 O ALA Y 131 -0.435 -17.080 11.444 1.00 23.02 O +ATOM 721 CB ALA Y 131 -3.183 -15.970 10.763 1.00 22.88 C +ATOM 722 N SER Y 132 -0.390 -15.253 12.767 1.00 23.22 N +ATOM 723 CA SER Y 132 1.060 -15.247 12.934 1.00 23.06 C +ATOM 724 C SER Y 132 1.529 -15.905 14.255 1.00 23.19 C +ATOM 725 O SER Y 132 2.684 -15.730 14.678 1.00 23.29 O +ATOM 726 CB SER Y 132 1.595 -13.814 12.825 1.00 22.98 C +ATOM 727 OG SER Y 132 1.505 -13.323 11.499 1.00 22.53 O +ATOM 728 N THR Y 133 0.648 -16.658 14.912 1.00 23.25 N +ATOM 729 CA THR Y 133 1.053 -17.424 16.107 1.00 23.36 C +ATOM 730 C THR Y 133 1.844 -18.677 15.672 1.00 23.59 C +ATOM 731 O THR Y 133 1.408 -19.401 14.772 1.00 23.02 O +ATOM 732 CB THR Y 133 -0.159 -17.800 17.010 1.00 23.25 C +ATOM 733 OG1 THR Y 133 -0.969 -16.640 17.234 1.00 23.06 O +ATOM 734 CG2 THR Y 133 0.298 -18.337 18.360 1.00 22.05 C +ATOM 735 N PRO Y 134 3.023 -18.910 16.289 1.00 23.89 N +ATOM 736 CA PRO Y 134 3.903 -20.020 15.900 1.00 24.28 C +ATOM 737 C PRO Y 134 3.553 -21.333 16.589 1.00 24.90 C +ATOM 738 O PRO Y 134 2.933 -21.322 17.657 1.00 25.23 O +ATOM 739 CB PRO Y 134 5.283 -19.544 16.352 1.00 24.04 C +ATOM 740 CG PRO Y 134 5.052 -18.236 17.114 1.00 23.71 C +ATOM 741 CD PRO Y 134 3.605 -18.129 17.389 1.00 23.49 C +ATOM 742 N ASP Y 135 3.926 -22.454 15.974 1.00 25.42 N +ATOM 743 CA ASP Y 135 3.680 -23.782 16.551 1.00 26.01 C +ATOM 744 C ASP Y 135 4.810 -24.017 17.539 1.00 26.20 C +ATOM 745 O ASP Y 135 5.595 -24.952 17.395 1.00 26.68 O +ATOM 746 CB ASP Y 135 3.636 -24.852 15.434 1.00 26.24 C +ATOM 747 CG ASP Y 135 3.482 -26.317 15.959 1.00 27.38 C +ATOM 748 OD1 ASP Y 135 3.076 -26.561 17.128 1.00 27.05 O +ATOM 749 OD2 ASP Y 135 3.776 -27.245 15.162 1.00 27.87 O +ATOM 750 N LEU Y 136 4.903 -23.139 18.537 1.00 26.39 N +ATOM 751 CA LEU Y 136 6.016 -23.146 19.486 1.00 26.49 C +ATOM 752 C LEU Y 136 6.358 -24.550 19.998 1.00 26.93 C +ATOM 753 O LEU Y 136 5.472 -25.389 20.217 1.00 26.59 O +ATOM 754 CB LEU Y 136 5.732 -22.205 20.663 1.00 26.36 C +ATOM 755 CG LEU Y 136 5.572 -20.690 20.433 1.00 26.41 C +ATOM 756 CD1 LEU Y 136 5.246 -19.985 21.736 1.00 24.79 C +ATOM 757 CD2 LEU Y 136 6.816 -20.068 19.807 1.00 24.92 C +ATOM 758 N GLN Y 137 7.651 -24.802 20.185 1.00 27.34 N +ATOM 759 CA GLN Y 137 8.097 -26.109 20.656 1.00 27.49 C +ATOM 760 C GLN Y 137 8.909 -26.047 21.946 1.00 27.77 C +ATOM 761 O GLN Y 137 8.439 -26.509 22.998 1.00 27.96 O +ATOM 762 CB GLN Y 137 8.860 -26.829 19.548 1.00 27.40 C +ATOM 763 CG GLN Y 137 7.967 -27.236 18.396 1.00 27.59 C +ATOM 764 CD GLN Y 137 6.866 -28.198 18.816 1.00 28.25 C +ATOM 765 OE1 GLN Y 137 7.006 -28.926 19.803 1.00 29.93 O +ATOM 766 NE2 GLN Y 137 5.773 -28.219 18.059 1.00 27.29 N +ATOM 767 OXT GLN Y 137 10.038 -25.534 21.967 1.00 27.75 O Added: SwiftApps/modFTdock/input/indata/2rnl-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2rnl-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2rnl-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,737 @@ +ATOM 1 N GLY A 1 27.239 -11.122 7.890 1.00 0.00 N +ATOM 2 CA GLY A 1 28.054 -10.936 9.076 1.00 0.00 C +ATOM 3 C GLY A 1 27.301 -11.252 10.353 1.00 0.00 C +ATOM 4 O GLY A 1 26.958 -12.406 10.610 1.00 0.00 O +ATOM 5 H1 GLY A 1 26.417 -10.600 7.775 1.00 0.00 H +ATOM 6 HA2 GLY A 1 28.918 -11.581 9.011 1.00 0.00 H +ATOM 7 HA3 GLY A 1 28.386 -9.909 9.113 1.00 0.00 H +ATOM 8 N SER A 2 27.044 -10.224 11.156 1.00 0.00 N +ATOM 9 CA SER A 2 26.331 -10.399 12.416 1.00 0.00 C +ATOM 10 C SER A 2 25.148 -9.440 12.509 1.00 0.00 C +ATOM 11 O SER A 2 24.974 -8.568 11.658 1.00 0.00 O +ATOM 12 CB SER A 2 27.278 -10.173 13.597 1.00 0.00 C +ATOM 13 OG SER A 2 26.745 -10.721 14.790 1.00 0.00 O +ATOM 14 H SER A 2 27.343 -9.328 10.896 1.00 0.00 H +ATOM 15 HA SER A 2 25.962 -11.413 12.451 1.00 0.00 H +ATOM 16 HB2 SER A 2 28.226 -10.646 13.391 1.00 0.00 H +ATOM 17 HB3 SER A 2 27.428 -9.112 13.738 1.00 0.00 H +ATOM 18 HG SER A 2 26.523 -10.012 15.398 1.00 0.00 H +ATOM 19 N SER A 3 24.337 -9.609 13.548 1.00 0.00 N +ATOM 20 CA SER A 3 23.167 -8.763 13.751 1.00 0.00 C +ATOM 21 C SER A 3 23.582 -7.325 14.048 1.00 0.00 C +ATOM 22 O SER A 3 24.768 -7.023 14.175 1.00 0.00 O +ATOM 23 CB SER A 3 22.311 -9.306 14.896 1.00 0.00 C +ATOM 24 OG SER A 3 22.931 -9.078 16.150 1.00 0.00 O +ATOM 25 H SER A 3 24.529 -10.323 14.192 1.00 0.00 H +ATOM 26 HA SER A 3 22.586 -8.776 12.841 1.00 0.00 H +ATOM 27 HB2 SER A 3 21.350 -8.813 14.889 1.00 0.00 H +ATOM 28 HB3 SER A 3 22.171 -10.369 14.765 1.00 0.00 H +ATOM 29 HG SER A 3 23.885 -9.098 16.043 1.00 0.00 H +ATOM 30 N GLY A 4 22.595 -6.441 14.158 1.00 0.00 N +ATOM 31 CA GLY A 4 22.876 -5.046 14.440 1.00 0.00 C +ATOM 32 C GLY A 4 21.889 -4.109 13.773 1.00 0.00 C +ATOM 33 O GLY A 4 22.280 -3.219 13.017 1.00 0.00 O +ATOM 34 H GLY A 4 21.668 -6.739 14.047 1.00 0.00 H +ATOM 35 HA2 GLY A 4 22.839 -4.890 15.508 1.00 0.00 H +ATOM 36 HA3 GLY A 4 23.870 -4.813 14.087 1.00 0.00 H +ATOM 37 N SER A 5 20.605 -4.310 14.050 1.00 0.00 N +ATOM 38 CA SER A 5 19.557 -3.480 13.467 1.00 0.00 C +ATOM 39 C SER A 5 19.790 -2.007 13.788 1.00 0.00 C +ATOM 40 O SER A 5 19.591 -1.567 14.920 1.00 0.00 O +ATOM 41 CB SER A 5 18.185 -3.915 13.984 1.00 0.00 C +ATOM 42 OG SER A 5 17.153 -3.490 13.111 1.00 0.00 O +ATOM 43 H SER A 5 20.356 -5.036 14.660 1.00 0.00 H +ATOM 44 HA SER A 5 19.587 -3.612 12.396 1.00 0.00 H +ATOM 45 HB2 SER A 5 18.156 -4.991 14.059 1.00 0.00 H +ATOM 46 HB3 SER A 5 18.017 -3.481 14.960 1.00 0.00 H +ATOM 47 HG SER A 5 17.440 -2.710 12.631 1.00 0.00 H +ATOM 48 N SER A 6 20.214 -1.248 12.781 1.00 0.00 N +ATOM 49 CA SER A 6 20.479 0.175 12.956 1.00 0.00 C +ATOM 50 C SER A 6 19.301 1.011 12.464 1.00 0.00 C +ATOM 51 O SER A 6 19.034 1.083 11.265 1.00 0.00 O +ATOM 52 CB SER A 6 21.751 0.574 12.205 1.00 0.00 C +ATOM 53 OG SER A 6 22.890 -0.059 12.760 1.00 0.00 O +ATOM 54 H SER A 6 20.355 -1.657 11.902 1.00 0.00 H +ATOM 55 HA SER A 6 20.621 0.359 14.010 1.00 0.00 H +ATOM 56 HB2 SER A 6 21.661 0.284 11.169 1.00 0.00 H +ATOM 57 HB3 SER A 6 21.881 1.645 12.268 1.00 0.00 H +ATOM 58 HG SER A 6 23.226 0.467 13.489 1.00 0.00 H +ATOM 59 N GLY A 7 18.599 1.641 13.401 1.00 0.00 N +ATOM 60 CA GLY A 7 17.457 2.463 13.045 1.00 0.00 C +ATOM 61 C GLY A 7 16.501 1.753 12.107 1.00 0.00 C +ATOM 62 O GLY A 7 16.707 1.737 10.893 1.00 0.00 O +ATOM 63 H GLY A 7 18.858 1.547 14.341 1.00 0.00 H +ATOM 64 HA2 GLY A 7 16.927 2.734 13.946 1.00 0.00 H +ATOM 65 HA3 GLY A 7 17.812 3.363 12.564 1.00 0.00 H +ATOM 66 N LYS A 8 15.452 1.163 12.670 1.00 0.00 N +ATOM 67 CA LYS A 8 14.460 0.447 11.877 1.00 0.00 C +ATOM 68 C LYS A 8 13.319 1.372 11.468 1.00 0.00 C +ATOM 69 O LYS A 8 12.687 2.006 12.314 1.00 0.00 O +ATOM 70 CB LYS A 8 13.909 -0.743 12.665 1.00 0.00 C +ATOM 71 CG LYS A 8 12.733 -1.428 11.990 1.00 0.00 C +ATOM 72 CD LYS A 8 12.049 -2.412 12.925 1.00 0.00 C +ATOM 73 CE LYS A 8 12.869 -3.682 13.093 1.00 0.00 C +ATOM 74 NZ LYS A 8 12.115 -4.735 13.829 1.00 0.00 N +ATOM 75 H LYS A 8 15.342 1.210 13.643 1.00 0.00 H +ATOM 76 HA LYS A 8 14.948 0.082 10.985 1.00 0.00 H +ATOM 77 HB2 LYS A 8 14.697 -1.470 12.795 1.00 0.00 H +ATOM 78 HB3 LYS A 8 13.587 -0.397 13.637 1.00 0.00 H +ATOM 79 HG2 LYS A 8 12.017 -0.679 11.687 1.00 0.00 H +ATOM 80 HG3 LYS A 8 13.090 -1.961 11.120 1.00 0.00 H +ATOM 81 HD2 LYS A 8 11.922 -1.948 13.892 1.00 0.00 H +ATOM 82 HD3 LYS A 8 11.082 -2.669 12.517 1.00 0.00 H +ATOM 83 HE2 LYS A 8 13.133 -4.057 12.116 1.00 0.00 H +ATOM 84 HE3 LYS A 8 13.768 -3.445 13.643 1.00 0.00 H +ATOM 85 HZ1 LYS A 8 12.287 -5.665 13.398 1.00 0.00 H +ATOM 86 HZ2 LYS A 8 11.095 -4.533 13.796 1.00 0.00 H +ATOM 87 HZ3 LYS A 8 12.419 -4.764 14.823 1.00 0.00 H +ATOM 88 N LYS A 9 13.058 1.445 10.167 1.00 0.00 N +ATOM 89 CA LYS A 9 11.991 2.291 9.646 1.00 0.00 C +ATOM 90 C LYS A 9 11.500 1.777 8.296 1.00 0.00 C +ATOM 91 O LYS A 9 12.297 1.397 7.440 1.00 0.00 O +ATOM 92 CB LYS A 9 12.478 3.735 9.508 1.00 0.00 C +ATOM 93 CG LYS A 9 11.356 4.758 9.507 1.00 0.00 C +ATOM 94 CD LYS A 9 11.855 6.134 9.915 1.00 0.00 C +ATOM 95 CE LYS A 9 10.960 7.236 9.369 1.00 0.00 C +ATOM 96 NZ LYS A 9 11.414 8.586 9.805 1.00 0.00 N +ATOM 97 H LYS A 9 13.597 0.915 9.542 1.00 0.00 H +ATOM 98 HA LYS A 9 11.172 2.262 10.349 1.00 0.00 H +ATOM 99 HB2 LYS A 9 13.141 3.959 10.331 1.00 0.00 H +ATOM 100 HB3 LYS A 9 13.025 3.830 8.581 1.00 0.00 H +ATOM 101 HG2 LYS A 9 10.937 4.819 8.514 1.00 0.00 H +ATOM 102 HG3 LYS A 9 10.592 4.441 10.203 1.00 0.00 H +ATOM 103 HD2 LYS A 9 11.868 6.198 10.993 1.00 0.00 H +ATOM 104 HD3 LYS A 9 12.856 6.272 9.532 1.00 0.00 H +ATOM 105 HE2 LYS A 9 10.974 7.192 8.291 1.00 0.00 H +ATOM 106 HE3 LYS A 9 9.953 7.072 9.722 1.00 0.00 H +ATOM 107 HZ1 LYS A 9 11.097 8.772 10.778 1.00 0.00 H +ATOM 108 HZ2 LYS A 9 11.018 9.315 9.177 1.00 0.00 H +ATOM 109 HZ3 LYS A 9 12.451 8.642 9.772 1.00 0.00 H +ATOM 110 N ASN A 10 10.184 1.772 8.114 1.00 0.00 N +ATOM 111 CA ASN A 10 9.587 1.306 6.867 1.00 0.00 C +ATOM 112 C ASN A 10 9.056 2.478 6.047 1.00 0.00 C +ATOM 113 O ASN A 10 8.588 3.482 6.584 1.00 0.00 O +ATOM 114 CB ASN A 10 8.455 0.317 7.157 1.00 0.00 C +ATOM 115 CG ASN A 10 8.942 -0.921 7.884 1.00 0.00 C +ATOM 116 OD1 ASN A 10 9.540 -0.831 8.956 1.00 0.00 O +ATOM 117 ND2 ASN A 10 8.688 -2.087 7.302 1.00 0.00 N +ATOM 118 H ASN A 10 9.599 2.087 8.835 1.00 0.00 H +ATOM 119 HA ASN A 10 10.355 0.803 6.300 1.00 0.00 H +ATOM 120 HB2 ASN A 10 7.711 0.802 7.772 1.00 0.00 H +ATOM 121 HB3 ASN A 10 8.004 0.012 6.225 1.00 0.00 H +ATOM 122 HD21 ASN A 10 8.207 -2.083 6.447 1.00 0.00 H +ATOM 123 HD22 ASN A 10 8.990 -2.904 7.750 1.00 0.00 H +ATOM 124 N PRO A 11 9.128 2.348 4.714 1.00 0.00 N +ATOM 125 CA PRO A 11 8.658 3.385 3.791 1.00 0.00 C +ATOM 126 C PRO A 11 7.139 3.519 3.794 1.00 0.00 C +ATOM 127 O PRO A 11 6.588 4.462 3.226 1.00 0.00 O +ATOM 128 CB PRO A 11 9.149 2.895 2.427 1.00 0.00 C +ATOM 129 CG PRO A 11 9.270 1.418 2.576 1.00 0.00 C +ATOM 130 CD PRO A 11 9.673 1.178 4.005 1.00 0.00 C +ATOM 131 HA PRO A 11 9.103 4.344 4.013 1.00 0.00 H +ATOM 132 HB2 PRO A 11 8.427 3.158 1.666 1.00 0.00 H +ATOM 133 HB3 PRO A 11 10.102 3.348 2.199 1.00 0.00 H +ATOM 134 HG2 PRO A 11 8.320 0.948 2.371 1.00 0.00 H +ATOM 135 HG3 PRO A 11 10.029 1.042 1.906 1.00 0.00 H +ATOM 136 HD2 PRO A 11 9.231 0.264 4.374 1.00 0.00 H +ATOM 137 HD3 PRO A 11 10.749 1.142 4.093 1.00 0.00 H +ATOM 138 N CYS A 12 6.467 2.571 4.438 1.00 0.00 N +ATOM 139 CA CYS A 12 5.011 2.582 4.515 1.00 0.00 C +ATOM 140 C CYS A 12 4.518 3.794 5.301 1.00 0.00 C +ATOM 141 O CYS A 12 3.400 4.265 5.098 1.00 0.00 O +ATOM 142 CB CYS A 12 4.504 1.295 5.169 1.00 0.00 C +ATOM 143 SG CYS A 12 4.311 -0.100 4.014 1.00 0.00 S +ATOM 144 H CYS A 12 6.963 1.844 4.872 1.00 0.00 H +ATOM 145 HA CYS A 12 4.626 2.640 3.509 1.00 0.00 H +ATOM 146 HB2 CYS A 12 5.202 0.991 5.936 1.00 0.00 H +ATOM 147 HB3 CYS A 12 3.542 1.485 5.621 1.00 0.00 H +ATOM 148 N ASN A 13 5.361 4.292 6.200 1.00 0.00 N +ATOM 149 CA ASN A 13 5.011 5.449 7.017 1.00 0.00 C +ATOM 150 C ASN A 13 6.074 6.537 6.902 1.00 0.00 C +ATOM 151 O ASN A 13 6.087 7.490 7.681 1.00 0.00 O +ATOM 152 CB ASN A 13 4.845 5.034 8.480 1.00 0.00 C +ATOM 153 CG ASN A 13 6.140 4.531 9.089 1.00 0.00 C +ATOM 154 OD1 ASN A 13 6.760 5.212 9.906 1.00 0.00 O +ATOM 155 ND2 ASN A 13 6.555 3.334 8.691 1.00 0.00 N +ATOM 156 H ASN A 13 6.239 3.873 6.316 1.00 0.00 H +ATOM 157 HA ASN A 13 4.072 5.839 6.654 1.00 0.00 H +ATOM 158 HB2 ASN A 13 4.508 5.885 9.053 1.00 0.00 H +ATOM 159 HB3 ASN A 13 4.109 4.247 8.544 1.00 0.00 H +ATOM 160 HD21 ASN A 13 6.010 2.848 8.037 1.00 0.00 H +ATOM 161 HD22 ASN A 13 7.388 2.984 9.070 1.00 0.00 H +ATOM 162 N ALA A 14 6.963 6.388 5.926 1.00 0.00 N +ATOM 163 CA ALA A 14 8.028 7.359 5.708 1.00 0.00 C +ATOM 164 C ALA A 14 7.762 8.194 4.460 1.00 0.00 C +ATOM 165 O ALA A 14 7.813 9.423 4.502 1.00 0.00 O +ATOM 166 CB ALA A 14 9.371 6.653 5.596 1.00 0.00 C +ATOM 167 H ALA A 14 6.901 5.607 5.338 1.00 0.00 H +ATOM 168 HA ALA A 14 8.064 8.014 6.566 1.00 0.00 H +ATOM 169 HB1 ALA A 14 9.683 6.636 4.562 1.00 0.00 H +ATOM 170 HB2 ALA A 14 10.106 7.182 6.185 1.00 0.00 H +ATOM 171 HB3 ALA A 14 9.277 5.641 5.961 1.00 0.00 H +ATOM 172 N GLU A 15 7.479 7.519 3.350 1.00 0.00 N +ATOM 173 CA GLU A 15 7.207 8.200 2.090 1.00 0.00 C +ATOM 174 C GLU A 15 5.882 7.733 1.494 1.00 0.00 C +ATOM 175 O GLU A 15 5.151 8.516 0.888 1.00 0.00 O +ATOM 176 CB GLU A 15 8.343 7.953 1.095 1.00 0.00 C +ATOM 177 CG GLU A 15 8.225 8.772 -0.179 1.00 0.00 C +ATOM 178 CD GLU A 15 9.534 8.860 -0.939 1.00 0.00 C +ATOM 179 OE1 GLU A 15 10.600 8.759 -0.296 1.00 0.00 O +ATOM 180 OE2 GLU A 15 9.493 9.030 -2.175 1.00 0.00 O +ATOM 181 H GLU A 15 7.454 6.540 3.380 1.00 0.00 H +ATOM 182 HA GLU A 15 7.143 9.259 2.293 1.00 0.00 H +ATOM 183 HB2 GLU A 15 9.281 8.196 1.570 1.00 0.00 H +ATOM 184 HB3 GLU A 15 8.347 6.907 0.826 1.00 0.00 H +ATOM 185 HG2 GLU A 15 7.485 8.315 -0.819 1.00 0.00 H +ATOM 186 HG3 GLU A 15 7.908 9.772 0.079 1.00 0.00 H +ATOM 187 N PHE A 16 5.581 6.451 1.670 1.00 0.00 N +ATOM 188 CA PHE A 16 4.346 5.877 1.148 1.00 0.00 C +ATOM 189 C PHE A 16 3.223 5.978 2.176 1.00 0.00 C +ATOM 190 O PHE A 16 2.219 5.273 2.084 1.00 0.00 O +ATOM 191 CB PHE A 16 4.564 4.414 0.756 1.00 0.00 C +ATOM 192 CG PHE A 16 5.538 4.235 -0.373 1.00 0.00 C +ATOM 193 CD1 PHE A 16 6.898 4.400 -0.165 1.00 0.00 C +ATOM 194 CD2 PHE A 16 5.094 3.901 -1.642 1.00 0.00 C +ATOM 195 CE1 PHE A 16 7.796 4.236 -1.202 1.00 0.00 C +ATOM 196 CE2 PHE A 16 5.988 3.735 -2.683 1.00 0.00 C +ATOM 197 CZ PHE A 16 7.341 3.902 -2.463 1.00 0.00 C +ATOM 198 H PHE A 16 6.205 5.876 2.161 1.00 0.00 H +ATOM 199 HA PHE A 16 4.066 6.439 0.270 1.00 0.00 H +ATOM 200 HB2 PHE A 16 4.942 3.873 1.610 1.00 0.00 H +ATOM 201 HB3 PHE A 16 3.620 3.986 0.453 1.00 0.00 H +ATOM 202 HD1 PHE A 16 7.256 4.660 0.821 1.00 0.00 H +ATOM 203 HD2 PHE A 16 4.035 3.769 -1.816 1.00 0.00 H +ATOM 204 HE1 PHE A 16 8.854 4.367 -1.027 1.00 0.00 H +ATOM 205 HE2 PHE A 16 5.628 3.474 -3.668 1.00 0.00 H +ATOM 206 HZ PHE A 16 8.041 3.774 -3.275 1.00 0.00 H +ATOM 207 N GLN A 17 3.402 6.860 3.154 1.00 0.00 N +ATOM 208 CA GLN A 17 2.404 7.053 4.201 1.00 0.00 C +ATOM 209 C GLN A 17 1.073 7.499 3.607 1.00 0.00 C +ATOM 210 O GLN A 17 0.008 7.169 4.128 1.00 0.00 O +ATOM 211 CB GLN A 17 2.895 8.084 5.218 1.00 0.00 C +ATOM 212 CG GLN A 17 2.761 9.521 4.741 1.00 0.00 C +ATOM 213 CD GLN A 17 3.643 10.479 5.517 1.00 0.00 C +ATOM 214 OE1 GLN A 17 4.585 11.054 4.972 1.00 0.00 O +ATOM 215 NE2 GLN A 17 3.342 10.655 6.799 1.00 0.00 N +ATOM 216 H GLN A 17 4.223 7.393 3.173 1.00 0.00 H +ATOM 217 HA GLN A 17 2.262 6.107 4.701 1.00 0.00 H +ATOM 218 HB2 GLN A 17 2.323 7.974 6.128 1.00 0.00 H +ATOM 219 HB3 GLN A 17 3.936 7.894 5.432 1.00 0.00 H +ATOM 220 HG2 GLN A 17 3.037 9.568 3.698 1.00 0.00 H +ATOM 221 HG3 GLN A 17 1.732 9.830 4.854 1.00 0.00 H +ATOM 222 HE21 GLN A 17 2.578 10.162 7.166 1.00 0.00 H +ATOM 223 HE22 GLN A 17 3.896 11.267 7.324 1.00 0.00 H +ATOM 224 N ASN A 18 1.140 8.253 2.515 1.00 0.00 N +ATOM 225 CA ASN A 18 -0.061 8.747 1.851 1.00 0.00 C +ATOM 226 C ASN A 18 -0.504 7.791 0.747 1.00 0.00 C +ATOM 227 O ASN A 18 -1.161 8.195 -0.212 1.00 0.00 O +ATOM 228 CB ASN A 18 0.189 10.138 1.266 1.00 0.00 C +ATOM 229 CG ASN A 18 1.126 10.104 0.074 1.00 0.00 C +ATOM 230 OD1 ASN A 18 1.898 9.160 -0.096 1.00 0.00 O +ATOM 231 ND2 ASN A 18 1.062 11.136 -0.759 1.00 0.00 N +ATOM 232 H ASN A 18 2.019 8.484 2.146 1.00 0.00 H +ATOM 233 HA ASN A 18 -0.845 8.813 2.590 1.00 0.00 H +ATOM 234 HB2 ASN A 18 -0.752 10.563 0.947 1.00 0.00 H +ATOM 235 HB3 ASN A 18 0.626 10.769 2.026 1.00 0.00 H +ATOM 236 HD21 ASN A 18 0.422 11.852 -0.561 1.00 0.00 H +ATOM 237 HD22 ASN A 18 1.656 11.140 -1.539 1.00 0.00 H +ATOM 238 N PHE A 19 -0.140 6.521 0.891 1.00 0.00 N +ATOM 239 CA PHE A 19 -0.500 5.507 -0.093 1.00 0.00 C +ATOM 240 C PHE A 19 -1.615 4.608 0.434 1.00 0.00 C +ATOM 241 O PHE A 19 -2.726 4.601 -0.097 1.00 0.00 O +ATOM 242 CB PHE A 19 0.723 4.662 -0.456 1.00 0.00 C +ATOM 243 CG PHE A 19 0.593 3.954 -1.775 1.00 0.00 C +ATOM 244 CD1 PHE A 19 -0.505 3.152 -2.040 1.00 0.00 C +ATOM 245 CD2 PHE A 19 1.568 4.092 -2.749 1.00 0.00 C +ATOM 246 CE1 PHE A 19 -0.627 2.499 -3.252 1.00 0.00 C +ATOM 247 CE2 PHE A 19 1.452 3.442 -3.964 1.00 0.00 C +ATOM 248 CZ PHE A 19 0.352 2.646 -4.216 1.00 0.00 C +ATOM 249 H PHE A 19 0.383 6.260 1.678 1.00 0.00 H +ATOM 250 HA PHE A 19 -0.851 6.015 -0.978 1.00 0.00 H +ATOM 251 HB2 PHE A 19 1.591 5.301 -0.508 1.00 0.00 H +ATOM 252 HB3 PHE A 19 0.876 3.916 0.309 1.00 0.00 H +ATOM 253 HD1 PHE A 19 -1.272 3.037 -1.288 1.00 0.00 H +ATOM 254 HD2 PHE A 19 2.429 4.716 -2.553 1.00 0.00 H +ATOM 255 HE1 PHE A 19 -1.487 1.877 -3.447 1.00 0.00 H +ATOM 256 HE2 PHE A 19 2.219 3.559 -4.715 1.00 0.00 H +ATOM 257 HZ PHE A 19 0.260 2.137 -5.163 1.00 0.00 H +ATOM 258 N CYS A 20 -1.310 3.851 1.482 1.00 0.00 N +ATOM 259 CA CYS A 20 -2.284 2.947 2.082 1.00 0.00 C +ATOM 260 C CYS A 20 -3.304 3.720 2.913 1.00 0.00 C +ATOM 261 O CYS A 20 -3.114 3.927 4.112 1.00 0.00 O +ATOM 262 CB CYS A 20 -1.577 1.910 2.958 1.00 0.00 C +ATOM 263 SG CYS A 20 0.019 1.339 2.292 1.00 0.00 S +ATOM 264 H CYS A 20 -0.407 3.901 1.862 1.00 0.00 H +ATOM 265 HA CYS A 20 -2.801 2.438 1.283 1.00 0.00 H +ATOM 266 HB2 CYS A 20 -1.391 2.340 3.932 1.00 0.00 H +ATOM 267 HB3 CYS A 20 -2.216 1.047 3.068 1.00 0.00 H +ATOM 268 N ILE A 21 -4.385 4.144 2.267 1.00 0.00 N +ATOM 269 CA ILE A 21 -5.435 4.893 2.947 1.00 0.00 C +ATOM 270 C ILE A 21 -6.099 4.050 4.030 1.00 0.00 C +ATOM 271 O ILE A 21 -6.046 4.387 5.213 1.00 0.00 O +ATOM 272 CB ILE A 21 -6.512 5.376 1.957 1.00 0.00 C +ATOM 273 CG1 ILE A 21 -5.884 6.263 0.879 1.00 0.00 C +ATOM 274 CG2 ILE A 21 -7.610 6.127 2.695 1.00 0.00 C +ATOM 275 CD1 ILE A 21 -6.781 6.485 -0.318 1.00 0.00 C +ATOM 276 H ILE A 21 -4.479 3.948 1.312 1.00 0.00 H +ATOM 277 HA ILE A 21 -4.982 5.759 3.406 1.00 0.00 H +ATOM 278 HB ILE A 21 -6.953 4.510 1.488 1.00 0.00 H +ATOM 279 HG12 ILE A 21 -5.654 7.227 1.304 1.00 0.00 H +ATOM 280 HG13 ILE A 21 -4.972 5.801 0.531 1.00 0.00 H +ATOM 281 HG21 ILE A 21 -7.731 5.709 3.683 1.00 0.00 H +ATOM 282 HG22 ILE A 21 -7.341 7.169 2.776 1.00 0.00 H +ATOM 283 HG23 ILE A 21 -8.537 6.036 2.149 1.00 0.00 H +ATOM 284 HD11 ILE A 21 -6.431 5.885 -1.146 1.00 0.00 H +ATOM 285 HD12 ILE A 21 -7.792 6.199 -0.069 1.00 0.00 H +ATOM 286 HD13 ILE A 21 -6.759 7.528 -0.596 1.00 0.00 H +ATOM 287 N HIS A 22 -6.722 2.950 3.618 1.00 0.00 N +ATOM 288 CA HIS A 22 -7.394 2.056 4.554 1.00 0.00 C +ATOM 289 C HIS A 22 -6.948 0.612 4.342 1.00 0.00 C +ATOM 290 O HIS A 22 -7.524 -0.113 3.533 1.00 0.00 O +ATOM 291 CB HIS A 22 -8.911 2.162 4.394 1.00 0.00 C +ATOM 292 CG HIS A 22 -9.439 3.548 4.606 1.00 0.00 C +ATOM 293 ND1 HIS A 22 -9.208 4.275 5.754 1.00 0.00 N +ATOM 294 CD2 HIS A 22 -10.191 4.340 3.806 1.00 0.00 C +ATOM 295 CE1 HIS A 22 -9.796 5.453 5.653 1.00 0.00 C +ATOM 296 NE2 HIS A 22 -10.399 5.518 4.480 1.00 0.00 N +ATOM 297 H HIS A 22 -6.729 2.735 2.663 1.00 0.00 H +ATOM 298 HA HIS A 22 -7.124 2.360 5.555 1.00 0.00 H +ATOM 299 HB2 HIS A 22 -9.183 1.853 3.396 1.00 0.00 H +ATOM 300 HB3 HIS A 22 -9.389 1.511 5.112 1.00 0.00 H +ATOM 301 HD1 HIS A 22 -8.691 3.971 6.529 1.00 0.00 H +ATOM 302 HD2 HIS A 22 -10.560 4.092 2.821 1.00 0.00 H +ATOM 303 HE1 HIS A 22 -9.785 6.232 6.401 1.00 0.00 H +ATOM 304 HE2 HIS A 22 -10.981 6.249 4.184 1.00 0.00 H +ATOM 305 N GLY A 23 -5.917 0.202 5.076 1.00 0.00 N +ATOM 306 CA GLY A 23 -5.412 -1.152 4.952 1.00 0.00 C +ATOM 307 C GLY A 23 -4.060 -1.329 5.615 1.00 0.00 C +ATOM 308 O GLY A 23 -3.416 -0.352 5.995 1.00 0.00 O +ATOM 309 H GLY A 23 -5.497 0.825 5.705 1.00 0.00 H +ATOM 310 HA2 GLY A 23 -6.116 -1.831 5.409 1.00 0.00 H +ATOM 311 HA3 GLY A 23 -5.320 -1.396 3.904 1.00 0.00 H +ATOM 312 N GLU A 24 -3.629 -2.579 5.754 1.00 0.00 N +ATOM 313 CA GLU A 24 -2.346 -2.879 6.378 1.00 0.00 C +ATOM 314 C GLU A 24 -1.211 -2.779 5.363 1.00 0.00 C +ATOM 315 O GLU A 24 -1.251 -3.408 4.305 1.00 0.00 O +ATOM 316 CB GLU A 24 -2.370 -4.279 6.997 1.00 0.00 C +ATOM 317 CG GLU A 24 -1.305 -4.492 8.060 1.00 0.00 C +ATOM 318 CD GLU A 24 -0.988 -5.958 8.281 1.00 0.00 C +ATOM 319 OE1 GLU A 24 -0.337 -6.564 7.404 1.00 0.00 O +ATOM 320 OE2 GLU A 24 -1.390 -6.500 9.332 1.00 0.00 O +ATOM 321 H GLU A 24 -4.188 -3.316 5.431 1.00 0.00 H +ATOM 322 HA GLU A 24 -2.179 -2.154 7.159 1.00 0.00 H +ATOM 323 HB2 GLU A 24 -3.337 -4.444 7.447 1.00 0.00 H +ATOM 324 HB3 GLU A 24 -2.218 -5.007 6.214 1.00 0.00 H +ATOM 325 HG2 GLU A 24 -0.402 -3.987 7.753 1.00 0.00 H +ATOM 326 HG3 GLU A 24 -1.654 -4.070 8.990 1.00 0.00 H +ATOM 327 N CYS A 25 -0.199 -1.983 5.693 1.00 0.00 N +ATOM 328 CA CYS A 25 0.947 -1.798 4.812 1.00 0.00 C +ATOM 329 C CYS A 25 2.103 -2.704 5.225 1.00 0.00 C +ATOM 330 O CYS A 25 2.402 -2.846 6.411 1.00 0.00 O +ATOM 331 CB CYS A 25 1.399 -0.336 4.828 1.00 0.00 C +ATOM 332 SG CYS A 25 2.377 0.156 3.372 1.00 0.00 S +ATOM 333 H CYS A 25 -0.224 -1.508 6.550 1.00 0.00 H +ATOM 334 HA CYS A 25 0.642 -2.060 3.810 1.00 0.00 H +ATOM 335 HB2 CYS A 25 0.528 0.301 4.868 1.00 0.00 H +ATOM 336 HB3 CYS A 25 2.005 -0.165 5.705 1.00 0.00 H +ATOM 337 N LYS A 26 2.751 -3.315 4.239 1.00 0.00 N +ATOM 338 CA LYS A 26 3.876 -4.206 4.498 1.00 0.00 C +ATOM 339 C LYS A 26 4.963 -4.031 3.443 1.00 0.00 C +ATOM 340 O LYS A 26 4.806 -4.460 2.299 1.00 0.00 O +ATOM 341 CB LYS A 26 3.404 -5.661 4.524 1.00 0.00 C +ATOM 342 CG LYS A 26 4.415 -6.617 5.134 1.00 0.00 C +ATOM 343 CD LYS A 26 4.429 -6.522 6.650 1.00 0.00 C +ATOM 344 CE LYS A 26 5.676 -7.164 7.238 1.00 0.00 C +ATOM 345 NZ LYS A 26 6.856 -6.260 7.156 1.00 0.00 N +ATOM 346 H LYS A 26 2.466 -3.161 3.313 1.00 0.00 H +ATOM 347 HA LYS A 26 4.285 -3.951 5.464 1.00 0.00 H +ATOM 348 HB2 LYS A 26 2.491 -5.721 5.099 1.00 0.00 H +ATOM 349 HB3 LYS A 26 3.204 -5.980 3.512 1.00 0.00 H +ATOM 350 HG2 LYS A 26 4.159 -7.627 4.850 1.00 0.00 H +ATOM 351 HG3 LYS A 26 5.399 -6.374 4.758 1.00 0.00 H +ATOM 352 HD2 LYS A 26 4.404 -5.482 6.937 1.00 0.00 H +ATOM 353 HD3 LYS A 26 3.556 -7.027 7.042 1.00 0.00 H +ATOM 354 HE2 LYS A 26 5.488 -7.404 8.273 1.00 0.00 H +ATOM 355 HE3 LYS A 26 5.890 -8.071 6.691 1.00 0.00 H +ATOM 356 HZ1 LYS A 26 7.732 -6.818 7.104 1.00 0.00 H +ATOM 357 HZ2 LYS A 26 6.897 -5.649 7.997 1.00 0.00 H +ATOM 358 HZ3 LYS A 26 6.789 -5.660 6.309 1.00 0.00 H +ATOM 359 N TYR A 27 6.065 -3.401 3.834 1.00 0.00 N +ATOM 360 CA TYR A 27 7.178 -3.169 2.920 1.00 0.00 C +ATOM 361 C TYR A 27 7.928 -4.467 2.636 1.00 0.00 C +ATOM 362 O TYR A 27 8.391 -5.143 3.555 1.00 0.00 O +ATOM 363 CB TYR A 27 8.136 -2.130 3.504 1.00 0.00 C +ATOM 364 CG TYR A 27 9.397 -1.944 2.690 1.00 0.00 C +ATOM 365 CD1 TYR A 27 9.346 -1.433 1.400 1.00 0.00 C +ATOM 366 CD2 TYR A 27 10.640 -2.280 3.213 1.00 0.00 C +ATOM 367 CE1 TYR A 27 10.495 -1.262 0.653 1.00 0.00 C +ATOM 368 CE2 TYR A 27 11.795 -2.112 2.474 1.00 0.00 C +ATOM 369 CZ TYR A 27 11.717 -1.603 1.194 1.00 0.00 C +ATOM 370 OH TYR A 27 12.864 -1.434 0.454 1.00 0.00 O +ATOM 371 H TYR A 27 6.131 -3.082 4.758 1.00 0.00 H +ATOM 372 HA TYR A 27 6.773 -2.790 1.993 1.00 0.00 H +ATOM 373 HB2 TYR A 27 7.633 -1.176 3.558 1.00 0.00 H +ATOM 374 HB3 TYR A 27 8.425 -2.436 4.499 1.00 0.00 H +ATOM 375 HD1 TYR A 27 8.387 -1.166 0.979 1.00 0.00 H +ATOM 376 HD2 TYR A 27 10.697 -2.679 4.216 1.00 0.00 H +ATOM 377 HE1 TYR A 27 10.434 -0.864 -0.349 1.00 0.00 H +ATOM 378 HE2 TYR A 27 12.752 -2.379 2.897 1.00 0.00 H +ATOM 379 HH TYR A 27 13.140 -0.515 0.496 1.00 0.00 H +ATOM 380 N ILE A 28 8.044 -4.807 1.357 1.00 0.00 N +ATOM 381 CA ILE A 28 8.740 -6.022 0.950 1.00 0.00 C +ATOM 382 C ILE A 28 10.232 -5.766 0.766 1.00 0.00 C +ATOM 383 O ILE A 28 10.630 -4.873 0.019 1.00 0.00 O +ATOM 384 CB ILE A 28 8.162 -6.590 -0.359 1.00 0.00 C +ATOM 385 CG1 ILE A 28 6.635 -6.490 -0.354 1.00 0.00 C +ATOM 386 CG2 ILE A 28 8.603 -8.033 -0.551 1.00 0.00 C +ATOM 387 CD1 ILE A 28 5.979 -7.322 0.725 1.00 0.00 C +ATOM 388 H ILE A 28 7.654 -4.227 0.671 1.00 0.00 H +ATOM 389 HA ILE A 28 8.606 -6.759 1.729 1.00 0.00 H +ATOM 390 HB ILE A 28 8.551 -6.008 -1.181 1.00 0.00 H +ATOM 391 HG12 ILE A 28 6.348 -5.462 -0.200 1.00 0.00 H +ATOM 392 HG13 ILE A 28 6.257 -6.826 -1.309 1.00 0.00 H +ATOM 393 HG21 ILE A 28 8.359 -8.605 0.333 1.00 0.00 H +ATOM 394 HG22 ILE A 28 8.093 -8.455 -1.404 1.00 0.00 H +ATOM 395 HG23 ILE A 28 9.669 -8.065 -0.716 1.00 0.00 H +ATOM 396 HD11 ILE A 28 5.927 -8.353 0.404 1.00 0.00 H +ATOM 397 HD12 ILE A 28 6.560 -7.259 1.633 1.00 0.00 H +ATOM 398 HD13 ILE A 28 4.981 -6.953 0.909 1.00 0.00 H +ATOM 399 N GLU A 29 11.052 -6.557 1.451 1.00 0.00 N +ATOM 400 CA GLU A 29 12.500 -6.415 1.361 1.00 0.00 C +ATOM 401 C GLU A 29 13.053 -7.213 0.183 1.00 0.00 C +ATOM 402 O GLU A 29 13.689 -6.658 -0.714 1.00 0.00 O +ATOM 403 CB GLU A 29 13.162 -6.879 2.660 1.00 0.00 C +ATOM 404 CG GLU A 29 14.470 -6.169 2.964 1.00 0.00 C +ATOM 405 CD GLU A 29 15.648 -6.775 2.226 1.00 0.00 C +ATOM 406 OE1 GLU A 29 15.941 -7.967 2.455 1.00 0.00 O +ATOM 407 OE2 GLU A 29 16.276 -6.057 1.420 1.00 0.00 O +ATOM 408 H GLU A 29 10.674 -7.251 2.030 1.00 0.00 H +ATOM 409 HA GLU A 29 12.723 -5.370 1.208 1.00 0.00 H +ATOM 410 HB2 GLU A 29 12.481 -6.703 3.480 1.00 0.00 H +ATOM 411 HB3 GLU A 29 13.360 -7.939 2.590 1.00 0.00 H +ATOM 412 HG2 GLU A 29 14.378 -5.133 2.675 1.00 0.00 H +ATOM 413 HG3 GLU A 29 14.660 -6.230 4.026 1.00 0.00 H +ATOM 414 N HIS A 30 12.805 -8.519 0.192 1.00 0.00 N +ATOM 415 CA HIS A 30 13.277 -9.394 -0.876 1.00 0.00 C +ATOM 416 C HIS A 30 12.934 -8.815 -2.245 1.00 0.00 C +ATOM 417 O HIS A 30 13.545 -9.172 -3.253 1.00 0.00 O +ATOM 418 CB HIS A 30 12.664 -10.787 -0.730 1.00 0.00 C +ATOM 419 CG HIS A 30 11.280 -10.894 -1.291 1.00 0.00 C +ATOM 420 ND1 HIS A 30 10.157 -10.470 -0.611 1.00 0.00 N +ATOM 421 CD2 HIS A 30 10.840 -11.380 -2.475 1.00 0.00 C +ATOM 422 CE1 HIS A 30 9.087 -10.692 -1.352 1.00 0.00 C +ATOM 423 NE2 HIS A 30 9.473 -11.243 -2.489 1.00 0.00 N +ATOM 424 H HIS A 30 12.292 -8.903 0.933 1.00 0.00 H +ATOM 425 HA HIS A 30 14.350 -9.471 -0.790 1.00 0.00 H +ATOM 426 HB2 HIS A 30 13.287 -11.503 -1.246 1.00 0.00 H +ATOM 427 HB3 HIS A 30 12.620 -11.046 0.318 1.00 0.00 H +ATOM 428 HD1 HIS A 30 10.147 -10.068 0.282 1.00 0.00 H +ATOM 429 HD2 HIS A 30 11.449 -11.798 -3.264 1.00 0.00 H +ATOM 430 HE1 HIS A 30 8.068 -10.461 -1.077 1.00 0.00 H +ATOM 431 HE2 HIS A 30 8.873 -11.586 -3.182 1.00 0.00 H +ATOM 432 N LEU A 31 11.952 -7.920 -2.274 1.00 0.00 N +ATOM 433 CA LEU A 31 11.527 -7.292 -3.520 1.00 0.00 C +ATOM 434 C LEU A 31 11.708 -5.779 -3.456 1.00 0.00 C +ATOM 435 O LEU A 31 11.493 -5.076 -4.444 1.00 0.00 O +ATOM 436 CB LEU A 31 10.063 -7.630 -3.811 1.00 0.00 C +ATOM 437 CG LEU A 31 9.816 -8.910 -4.609 1.00 0.00 C +ATOM 438 CD1 LEU A 31 8.326 -9.201 -4.703 1.00 0.00 C +ATOM 439 CD2 LEU A 31 10.429 -8.800 -5.997 1.00 0.00 C +ATOM 440 H LEU A 31 11.503 -7.675 -1.439 1.00 0.00 H +ATOM 441 HA LEU A 31 12.143 -7.683 -4.316 1.00 0.00 H +ATOM 442 HB2 LEU A 31 9.552 -7.725 -2.865 1.00 0.00 H +ATOM 443 HB3 LEU A 31 9.638 -6.805 -4.366 1.00 0.00 H +ATOM 444 HG LEU A 31 10.285 -9.741 -4.099 1.00 0.00 H +ATOM 445 HD11 LEU A 31 8.072 -9.450 -5.723 1.00 0.00 H +ATOM 446 HD12 LEU A 31 7.769 -8.328 -4.396 1.00 0.00 H +ATOM 447 HD13 LEU A 31 8.079 -10.030 -4.057 1.00 0.00 H +ATOM 448 HD21 LEU A 31 11.105 -7.959 -6.026 1.00 0.00 H +ATOM 449 HD22 LEU A 31 9.645 -8.658 -6.726 1.00 0.00 H +ATOM 450 HD23 LEU A 31 10.971 -9.707 -6.224 1.00 0.00 H +ATOM 451 N GLU A 32 12.107 -5.284 -2.288 1.00 0.00 N +ATOM 452 CA GLU A 32 12.319 -3.854 -2.098 1.00 0.00 C +ATOM 453 C GLU A 32 11.161 -3.050 -2.682 1.00 0.00 C +ATOM 454 O GLU A 32 11.370 -2.043 -3.358 1.00 0.00 O +ATOM 455 CB GLU A 32 13.635 -3.419 -2.747 1.00 0.00 C +ATOM 456 CG GLU A 32 14.836 -4.230 -2.289 1.00 0.00 C +ATOM 457 CD GLU A 32 16.145 -3.689 -2.830 1.00 0.00 C +ATOM 458 OE1 GLU A 32 16.275 -3.580 -4.067 1.00 0.00 O +ATOM 459 OE2 GLU A 32 17.039 -3.375 -2.017 1.00 0.00 O +ATOM 460 H GLU A 32 12.262 -5.895 -1.538 1.00 0.00 H +ATOM 461 HA GLU A 32 12.373 -3.666 -1.036 1.00 0.00 H +ATOM 462 HB2 GLU A 32 13.544 -3.521 -3.818 1.00 0.00 H +ATOM 463 HB3 GLU A 32 13.815 -2.382 -2.506 1.00 0.00 H +ATOM 464 HG2 GLU A 32 14.876 -4.213 -1.210 1.00 0.00 H +ATOM 465 HG3 GLU A 32 14.717 -5.249 -2.628 1.00 0.00 H +ATOM 466 N ALA A 33 9.940 -3.503 -2.416 1.00 0.00 N +ATOM 467 CA ALA A 33 8.749 -2.826 -2.914 1.00 0.00 C +ATOM 468 C ALA A 33 7.675 -2.741 -1.835 1.00 0.00 C +ATOM 469 O ALA A 33 7.405 -3.717 -1.135 1.00 0.00 O +ATOM 470 CB ALA A 33 8.210 -3.542 -4.143 1.00 0.00 C +ATOM 471 H ALA A 33 9.838 -4.311 -1.871 1.00 0.00 H +ATOM 472 HA ALA A 33 9.032 -1.825 -3.206 1.00 0.00 H +ATOM 473 HB1 ALA A 33 7.279 -3.084 -4.445 1.00 0.00 H +ATOM 474 HB2 ALA A 33 8.926 -3.466 -4.947 1.00 0.00 H +ATOM 475 HB3 ALA A 33 8.040 -4.582 -3.908 1.00 0.00 H +ATOM 476 N VAL A 34 7.065 -1.567 -1.704 1.00 0.00 N +ATOM 477 CA VAL A 34 6.020 -1.355 -0.710 1.00 0.00 C +ATOM 478 C VAL A 34 4.647 -1.704 -1.273 1.00 0.00 C +ATOM 479 O VAL A 34 4.356 -1.439 -2.440 1.00 0.00 O +ATOM 480 CB VAL A 34 6.004 0.104 -0.215 1.00 0.00 C +ATOM 481 CG1 VAL A 34 5.789 1.060 -1.379 1.00 0.00 C +ATOM 482 CG2 VAL A 34 4.931 0.294 0.846 1.00 0.00 C +ATOM 483 H VAL A 34 7.324 -0.826 -2.291 1.00 0.00 H +ATOM 484 HA VAL A 34 6.226 -1.997 0.134 1.00 0.00 H +ATOM 485 HB VAL A 34 6.963 0.323 0.229 1.00 0.00 H +ATOM 486 HG11 VAL A 34 6.443 1.913 -1.268 1.00 0.00 H +ATOM 487 HG12 VAL A 34 6.009 0.554 -2.307 1.00 0.00 H +ATOM 488 HG13 VAL A 34 4.762 1.394 -1.385 1.00 0.00 H +ATOM 489 HG21 VAL A 34 5.388 0.634 1.764 1.00 0.00 H +ATOM 490 HG22 VAL A 34 4.215 1.028 0.507 1.00 0.00 H +ATOM 491 HG23 VAL A 34 4.427 -0.645 1.022 1.00 0.00 H +ATOM 492 N THR A 35 3.804 -2.301 -0.436 1.00 0.00 N +ATOM 493 CA THR A 35 2.461 -2.688 -0.850 1.00 0.00 C +ATOM 494 C THR A 35 1.430 -2.305 0.205 1.00 0.00 C +ATOM 495 O THR A 35 1.771 -2.064 1.364 1.00 0.00 O +ATOM 496 CB THR A 35 2.370 -4.202 -1.116 1.00 0.00 C +ATOM 497 OG1 THR A 35 1.102 -4.521 -1.700 1.00 0.00 O +ATOM 498 CG2 THR A 35 2.552 -4.990 0.173 1.00 0.00 C +ATOM 499 H THR A 35 4.094 -2.486 0.482 1.00 0.00 H +ATOM 500 HA THR A 35 2.233 -2.168 -1.768 1.00 0.00 H +ATOM 501 HB THR A 35 3.155 -4.480 -1.804 1.00 0.00 H +ATOM 502 HG1 THR A 35 0.903 -3.890 -2.396 1.00 0.00 H +ATOM 503 HG21 THR A 35 2.216 -4.395 1.009 1.00 0.00 H +ATOM 504 HG22 THR A 35 3.597 -5.234 0.301 1.00 0.00 H +ATOM 505 HG23 THR A 35 1.973 -5.900 0.123 1.00 0.00 H +ATOM 506 N CYS A 36 0.166 -2.252 -0.202 1.00 0.00 N +ATOM 507 CA CYS A 36 -0.917 -1.899 0.708 1.00 0.00 C +ATOM 508 C CYS A 36 -2.021 -2.953 0.675 1.00 0.00 C +ATOM 509 O CYS A 36 -2.748 -3.076 -0.311 1.00 0.00 O +ATOM 510 CB CYS A 36 -1.493 -0.530 0.342 1.00 0.00 C +ATOM 511 SG CYS A 36 -0.272 0.822 0.370 1.00 0.00 S +ATOM 512 H CYS A 36 -0.044 -2.455 -1.138 1.00 0.00 H +ATOM 513 HA CYS A 36 -0.510 -1.853 1.707 1.00 0.00 H +ATOM 514 HB2 CYS A 36 -1.907 -0.577 -0.655 1.00 0.00 H +ATOM 515 HB3 CYS A 36 -2.278 -0.279 1.041 1.00 0.00 H +ATOM 516 N LYS A 37 -2.140 -3.711 1.760 1.00 0.00 N +ATOM 517 CA LYS A 37 -3.154 -4.753 1.857 1.00 0.00 C +ATOM 518 C LYS A 37 -4.531 -4.150 2.115 1.00 0.00 C +ATOM 519 O LYS A 37 -4.696 -3.305 2.996 1.00 0.00 O +ATOM 520 CB LYS A 37 -2.800 -5.736 2.976 1.00 0.00 C +ATOM 521 CG LYS A 37 -1.685 -6.699 2.608 1.00 0.00 C +ATOM 522 CD LYS A 37 -2.230 -7.967 1.972 1.00 0.00 C +ATOM 523 CE LYS A 37 -2.803 -7.695 0.590 1.00 0.00 C +ATOM 524 NZ LYS A 37 -4.247 -7.335 0.649 1.00 0.00 N +ATOM 525 H LYS A 37 -1.530 -3.565 2.514 1.00 0.00 H +ATOM 526 HA LYS A 37 -3.177 -5.284 0.918 1.00 0.00 H +ATOM 527 HB2 LYS A 37 -2.491 -5.176 3.846 1.00 0.00 H +ATOM 528 HB3 LYS A 37 -3.679 -6.313 3.223 1.00 0.00 H +ATOM 529 HG2 LYS A 37 -1.020 -6.216 1.908 1.00 0.00 H +ATOM 530 HG3 LYS A 37 -1.139 -6.962 3.503 1.00 0.00 H +ATOM 531 HD2 LYS A 37 -1.431 -8.687 1.882 1.00 0.00 H +ATOM 532 HD3 LYS A 37 -3.010 -8.369 2.603 1.00 0.00 H +ATOM 533 HE2 LYS A 37 -2.256 -6.880 0.141 1.00 0.00 H +ATOM 534 HE3 LYS A 37 -2.686 -8.582 -0.015 1.00 0.00 H +ATOM 535 HZ1 LYS A 37 -4.824 -8.191 0.780 1.00 0.00 H +ATOM 536 HZ2 LYS A 37 -4.535 -6.869 -0.235 1.00 0.00 H +ATOM 537 HZ3 LYS A 37 -4.422 -6.687 1.442 1.00 0.00 H +ATOM 538 N CYS A 38 -5.519 -4.589 1.341 1.00 0.00 N +ATOM 539 CA CYS A 38 -6.882 -4.093 1.486 1.00 0.00 C +ATOM 540 C CYS A 38 -7.767 -5.127 2.176 1.00 0.00 C +ATOM 541 O CYS A 38 -7.822 -6.285 1.762 1.00 0.00 O +ATOM 542 CB CYS A 38 -7.466 -3.738 0.117 1.00 0.00 C +ATOM 543 SG CYS A 38 -6.295 -2.895 -0.996 1.00 0.00 S +ATOM 544 H CYS A 38 -5.326 -5.263 0.656 1.00 0.00 H +ATOM 545 HA CYS A 38 -6.849 -3.202 2.095 1.00 0.00 H +ATOM 546 HB2 CYS A 38 -7.789 -4.645 -0.374 1.00 0.00 H +ATOM 547 HB3 CYS A 38 -8.316 -3.087 0.254 1.00 0.00 H +ATOM 548 N GLN A 39 -8.457 -4.700 3.228 1.00 0.00 N +ATOM 549 CA GLN A 39 -9.338 -5.589 3.975 1.00 0.00 C +ATOM 550 C GLN A 39 -10.467 -6.107 3.090 1.00 0.00 C +ATOM 551 O GLN A 39 -10.517 -5.811 1.896 1.00 0.00 O +ATOM 552 CB GLN A 39 -9.919 -4.863 5.190 1.00 0.00 C +ATOM 553 CG GLN A 39 -8.972 -4.811 6.378 1.00 0.00 C +ATOM 554 CD GLN A 39 -8.620 -6.188 6.905 1.00 0.00 C +ATOM 555 OE1 GLN A 39 -7.563 -6.734 6.589 1.00 0.00 O +ATOM 556 NE2 GLN A 39 -9.507 -6.757 7.713 1.00 0.00 N +ATOM 557 H GLN A 39 -8.370 -3.766 3.509 1.00 0.00 H +ATOM 558 HA GLN A 39 -8.751 -6.428 4.316 1.00 0.00 H +ATOM 559 HB2 GLN A 39 -10.164 -3.850 4.906 1.00 0.00 H +ATOM 560 HB3 GLN A 39 -10.822 -5.369 5.499 1.00 0.00 H +ATOM 561 HG2 GLN A 39 -8.062 -4.315 6.075 1.00 0.00 H +ATOM 562 HG3 GLN A 39 -9.441 -4.247 7.171 1.00 0.00 H +ATOM 563 HE21 GLN A 39 -10.328 -6.263 7.920 1.00 0.00 H +ATOM 564 HE22 GLN A 39 -9.305 -7.647 8.068 1.00 0.00 H +ATOM 565 N GLN A 40 -11.369 -6.882 3.683 1.00 0.00 N +ATOM 566 CA GLN A 40 -12.496 -7.442 2.946 1.00 0.00 C +ATOM 567 C GLN A 40 -13.385 -6.336 2.388 1.00 0.00 C +ATOM 568 O GLN A 40 -13.851 -6.416 1.252 1.00 0.00 O +ATOM 569 CB GLN A 40 -13.316 -8.364 3.851 1.00 0.00 C +ATOM 570 CG GLN A 40 -14.396 -9.138 3.112 1.00 0.00 C +ATOM 571 CD GLN A 40 -15.691 -8.359 2.987 1.00 0.00 C +ATOM 572 OE1 GLN A 40 -15.949 -7.434 3.758 1.00 0.00 O +ATOM 573 NE2 GLN A 40 -16.512 -8.728 2.011 1.00 0.00 N +ATOM 574 H GLN A 40 -11.275 -7.082 4.637 1.00 0.00 H +ATOM 575 HA GLN A 40 -12.101 -8.019 2.124 1.00 0.00 H +ATOM 576 HB2 GLN A 40 -12.651 -9.073 4.319 1.00 0.00 H +ATOM 577 HB3 GLN A 40 -13.791 -7.768 4.616 1.00 0.00 H +ATOM 578 HG2 GLN A 40 -14.038 -9.373 2.120 1.00 0.00 H +ATOM 579 HG3 GLN A 40 -14.595 -10.054 3.648 1.00 0.00 H +ATOM 580 HE21 GLN A 40 -16.241 -9.475 1.436 1.00 0.00 H +ATOM 581 HE22 GLN A 40 -17.356 -8.243 1.908 1.00 0.00 H +ATOM 582 N GLU A 41 -13.616 -5.305 3.195 1.00 0.00 N +ATOM 583 CA GLU A 41 -14.450 -4.183 2.780 1.00 0.00 C +ATOM 584 C GLU A 41 -13.763 -3.367 1.689 1.00 0.00 C +ATOM 585 O GLU A 41 -14.392 -2.966 0.709 1.00 0.00 O +ATOM 586 CB GLU A 41 -14.769 -3.286 3.978 1.00 0.00 C +ATOM 587 CG GLU A 41 -15.362 -4.036 5.159 1.00 0.00 C +ATOM 588 CD GLU A 41 -15.973 -3.108 6.192 1.00 0.00 C +ATOM 589 OE1 GLU A 41 -17.159 -2.749 6.040 1.00 0.00 O +ATOM 590 OE2 GLU A 41 -15.263 -2.742 7.152 1.00 0.00 O +ATOM 591 H GLU A 41 -13.216 -5.298 4.089 1.00 0.00 H +ATOM 592 HA GLU A 41 -15.372 -4.583 2.386 1.00 0.00 H +ATOM 593 HB2 GLU A 41 -13.860 -2.803 4.303 1.00 0.00 H +ATOM 594 HB3 GLU A 41 -15.476 -2.530 3.667 1.00 0.00 H +ATOM 595 HG2 GLU A 41 -16.131 -4.702 4.797 1.00 0.00 H +ATOM 596 HG3 GLU A 41 -14.581 -4.612 5.632 1.00 0.00 H +ATOM 597 N TYR A 42 -12.469 -3.126 1.866 1.00 0.00 N +ATOM 598 CA TYR A 42 -11.696 -2.356 0.899 1.00 0.00 C +ATOM 599 C TYR A 42 -11.123 -3.262 -0.187 1.00 0.00 C +ATOM 600 O TYR A 42 -11.134 -4.487 -0.059 1.00 0.00 O +ATOM 601 CB TYR A 42 -10.563 -1.605 1.601 1.00 0.00 C +ATOM 602 CG TYR A 42 -11.043 -0.632 2.654 1.00 0.00 C +ATOM 603 CD1 TYR A 42 -11.373 0.676 2.321 1.00 0.00 C +ATOM 604 CD2 TYR A 42 -11.168 -1.021 3.982 1.00 0.00 C +ATOM 605 CE1 TYR A 42 -11.811 1.569 3.280 1.00 0.00 C +ATOM 606 CE2 TYR A 42 -11.608 -0.135 4.948 1.00 0.00 C +ATOM 607 CZ TYR A 42 -11.927 1.158 4.592 1.00 0.00 C +ATOM 608 OH TYR A 42 -12.365 2.044 5.549 1.00 0.00 O +ATOM 609 H TYR A 42 -12.023 -3.472 2.667 1.00 0.00 H +ATOM 610 HA TYR A 42 -12.359 -1.638 0.440 1.00 0.00 H +ATOM 611 HB2 TYR A 42 -9.912 -2.318 2.083 1.00 0.00 H +ATOM 612 HB3 TYR A 42 -9.999 -1.048 0.867 1.00 0.00 H +ATOM 613 HD1 TYR A 42 -11.282 0.994 1.292 1.00 0.00 H +ATOM 614 HD2 TYR A 42 -10.917 -2.035 4.258 1.00 0.00 H +ATOM 615 HE1 TYR A 42 -12.062 2.582 3.001 1.00 0.00 H +ATOM 616 HE2 TYR A 42 -11.698 -0.456 5.975 1.00 0.00 H +ATOM 617 HH TYR A 42 -11.626 2.575 5.856 1.00 0.00 H +ATOM 618 N PHE A 43 -10.624 -2.651 -1.256 1.00 0.00 N +ATOM 619 CA PHE A 43 -10.047 -3.401 -2.365 1.00 0.00 C +ATOM 620 C PHE A 43 -9.158 -2.506 -3.223 1.00 0.00 C +ATOM 621 O PHE A 43 -9.077 -1.298 -3.003 1.00 0.00 O +ATOM 622 CB PHE A 43 -11.154 -4.014 -3.225 1.00 0.00 C +ATOM 623 CG PHE A 43 -12.319 -3.092 -3.449 1.00 0.00 C +ATOM 624 CD1 PHE A 43 -13.276 -2.913 -2.463 1.00 0.00 C +ATOM 625 CD2 PHE A 43 -12.456 -2.405 -4.644 1.00 0.00 C +ATOM 626 CE1 PHE A 43 -14.349 -2.066 -2.667 1.00 0.00 C +ATOM 627 CE2 PHE A 43 -13.526 -1.557 -4.853 1.00 0.00 C +ATOM 628 CZ PHE A 43 -14.474 -1.386 -3.863 1.00 0.00 C +ATOM 629 H PHE A 43 -10.644 -1.672 -1.300 1.00 0.00 H +ATOM 630 HA PHE A 43 -9.444 -4.194 -1.950 1.00 0.00 H +ATOM 631 HB2 PHE A 43 -10.748 -4.275 -4.190 1.00 0.00 H +ATOM 632 HB3 PHE A 43 -11.523 -4.906 -2.741 1.00 0.00 H +ATOM 633 HD1 PHE A 43 -13.180 -3.443 -1.527 1.00 0.00 H +ATOM 634 HD2 PHE A 43 -11.714 -2.538 -5.420 1.00 0.00 H +ATOM 635 HE1 PHE A 43 -15.088 -1.934 -1.891 1.00 0.00 H +ATOM 636 HE2 PHE A 43 -13.621 -1.027 -5.790 1.00 0.00 H +ATOM 637 HZ PHE A 43 -15.311 -0.724 -4.025 1.00 0.00 H +ATOM 638 N GLY A 44 -8.491 -3.108 -4.204 1.00 0.00 N +ATOM 639 CA GLY A 44 -7.617 -2.351 -5.080 1.00 0.00 C +ATOM 640 C GLY A 44 -6.192 -2.291 -4.566 1.00 0.00 C +ATOM 641 O GLY A 44 -5.715 -3.231 -3.932 1.00 0.00 O +ATOM 642 H GLY A 44 -8.594 -4.074 -4.333 1.00 0.00 H +ATOM 643 HA2 GLY A 44 -7.617 -2.812 -6.057 1.00 0.00 H +ATOM 644 HA3 GLY A 44 -7.998 -1.344 -5.168 1.00 0.00 H +ATOM 645 N GLU A 45 -5.511 -1.183 -4.842 1.00 0.00 N +ATOM 646 CA GLU A 45 -4.131 -1.006 -4.405 1.00 0.00 C +ATOM 647 C GLU A 45 -4.070 -0.202 -3.109 1.00 0.00 C +ATOM 648 O GLU A 45 -3.658 -0.713 -2.068 1.00 0.00 O +ATOM 649 CB GLU A 45 -3.314 -0.306 -5.492 1.00 0.00 C +ATOM 650 CG GLU A 45 -2.658 -1.263 -6.473 1.00 0.00 C +ATOM 651 CD GLU A 45 -3.587 -2.378 -6.910 1.00 0.00 C +ATOM 652 OE1 GLU A 45 -4.675 -2.071 -7.440 1.00 0.00 O +ATOM 653 OE2 GLU A 45 -3.226 -3.559 -6.721 1.00 0.00 O +ATOM 654 H GLU A 45 -5.946 -0.469 -5.352 1.00 0.00 H +ATOM 655 HA GLU A 45 -3.712 -1.985 -4.227 1.00 0.00 H +ATOM 656 HB2 GLU A 45 -3.965 0.354 -6.046 1.00 0.00 H +ATOM 657 HB3 GLU A 45 -2.539 0.281 -5.021 1.00 0.00 H +ATOM 658 HG2 GLU A 45 -2.350 -0.709 -7.347 1.00 0.00 H +ATOM 659 HG3 GLU A 45 -1.790 -1.701 -6.002 1.00 0.00 H +ATOM 660 N ARG A 46 -4.482 1.059 -3.183 1.00 0.00 N +ATOM 661 CA ARG A 46 -4.473 1.935 -2.017 1.00 0.00 C +ATOM 662 C ARG A 46 -5.500 1.479 -0.986 1.00 0.00 C +ATOM 663 O ARG A 46 -5.278 1.592 0.220 1.00 0.00 O +ATOM 664 CB ARG A 46 -4.760 3.378 -2.436 1.00 0.00 C +ATOM 665 CG ARG A 46 -3.670 3.991 -3.299 1.00 0.00 C +ATOM 666 CD ARG A 46 -3.576 5.495 -3.096 1.00 0.00 C +ATOM 667 NE ARG A 46 -2.944 6.163 -4.230 1.00 0.00 N +ATOM 668 CZ ARG A 46 -1.628 6.234 -4.401 1.00 0.00 C +ATOM 669 NH1 ARG A 46 -0.811 5.681 -3.516 1.00 0.00 N +ATOM 670 NH2 ARG A 46 -1.128 6.859 -5.459 1.00 0.00 N +ATOM 671 H ARG A 46 -4.800 1.409 -4.041 1.00 0.00 H +ATOM 672 HA ARG A 46 -3.489 1.887 -1.574 1.00 0.00 H +ATOM 673 HB2 ARG A 46 -5.685 3.403 -2.992 1.00 0.00 H +ATOM 674 HB3 ARG A 46 -4.867 3.983 -1.547 1.00 0.00 H +ATOM 675 HG2 ARG A 46 -2.722 3.544 -3.037 1.00 0.00 H +ATOM 676 HG3 ARG A 46 -3.890 3.789 -4.337 1.00 0.00 H +ATOM 677 HD2 ARG A 46 -4.573 5.890 -2.968 1.00 0.00 H +ATOM 678 HD3 ARG A 46 -2.996 5.689 -2.206 1.00 0.00 H +ATOM 679 HE ARG A 46 -3.529 6.578 -4.897 1.00 0.00 H +ATOM 680 HH11 ARG A 46 -1.185 5.208 -2.718 1.00 0.00 H +ATOM 681 HH12 ARG A 46 0.179 5.735 -3.647 1.00 0.00 H +ATOM 682 HH21 ARG A 46 -1.741 7.277 -6.129 1.00 0.00 H +ATOM 683 HH22 ARG A 46 -0.138 6.912 -5.587 1.00 0.00 H +ATOM 684 N CYS A 47 -6.626 0.963 -1.468 1.00 0.00 N +ATOM 685 CA CYS A 47 -7.689 0.490 -0.590 1.00 0.00 C +ATOM 686 C CYS A 47 -8.445 1.662 0.029 1.00 0.00 C +ATOM 687 O CYS A 47 -8.778 1.645 1.213 1.00 0.00 O +ATOM 688 CB CYS A 47 -7.110 -0.397 0.514 1.00 0.00 C +ATOM 689 SG CYS A 47 -5.612 -1.311 0.025 1.00 0.00 S +ATOM 690 H CYS A 47 -6.745 0.899 -2.440 1.00 0.00 H +ATOM 691 HA CYS A 47 -8.377 -0.092 -1.184 1.00 0.00 H +ATOM 692 HB2 CYS A 47 -6.855 0.219 1.364 1.00 0.00 H +ATOM 693 HB3 CYS A 47 -7.855 -1.121 0.811 1.00 0.00 H +ATOM 694 N GLY A 48 -8.713 2.681 -0.782 1.00 0.00 N +ATOM 695 CA GLY A 48 -9.428 3.848 -0.298 1.00 0.00 C +ATOM 696 C GLY A 48 -10.931 3.657 -0.320 1.00 0.00 C +ATOM 697 O GLY A 48 -11.646 4.214 0.512 1.00 0.00 O +ATOM 698 H GLY A 48 -8.423 2.640 -1.718 1.00 0.00 H +ATOM 699 HA2 GLY A 48 -9.116 4.051 0.716 1.00 0.00 H +ATOM 700 HA3 GLY A 48 -9.175 4.694 -0.919 1.00 0.00 H +ATOM 701 N GLU A 49 -11.412 2.869 -1.277 1.00 0.00 N +ATOM 702 CA GLU A 49 -12.841 2.610 -1.405 1.00 0.00 C +ATOM 703 C GLU A 49 -13.233 1.337 -0.659 1.00 0.00 C +ATOM 704 O GLU A 49 -12.489 0.356 -0.650 1.00 0.00 O +ATOM 705 CB GLU A 49 -13.230 2.489 -2.880 1.00 0.00 C +ATOM 706 CG GLU A 49 -13.545 3.823 -3.537 1.00 0.00 C +ATOM 707 CD GLU A 49 -14.729 4.522 -2.899 1.00 0.00 C +ATOM 708 OE1 GLU A 49 -14.543 5.160 -1.842 1.00 0.00 O +ATOM 709 OE2 GLU A 49 -15.843 4.432 -3.458 1.00 0.00 O +ATOM 710 H GLU A 49 -10.792 2.453 -1.911 1.00 0.00 H +ATOM 711 HA GLU A 49 -13.370 3.444 -0.970 1.00 0.00 H +ATOM 712 HB2 GLU A 49 -12.415 2.029 -3.419 1.00 0.00 H +ATOM 713 HB3 GLU A 49 -14.103 1.858 -2.959 1.00 0.00 H +ATOM 714 HG2 GLU A 49 -12.680 4.464 -3.454 1.00 0.00 H +ATOM 715 HG3 GLU A 49 -13.766 3.652 -4.581 1.00 0.00 H +ATOM 716 N LYS A 50 -14.405 1.361 -0.035 1.00 0.00 N +ATOM 717 CA LYS A 50 -14.897 0.210 0.714 1.00 0.00 C +ATOM 718 C LYS A 50 -16.292 -0.189 0.242 1.00 0.00 C +ATOM 719 O LYS A 50 -17.088 0.659 -0.160 1.00 0.00 O +ATOM 720 CB LYS A 50 -14.924 0.524 2.211 1.00 0.00 C +ATOM 721 CG LYS A 50 -16.003 1.518 2.605 1.00 0.00 C +ATOM 722 CD LYS A 50 -15.626 2.280 3.864 1.00 0.00 C +ATOM 723 CE LYS A 50 -15.929 1.472 5.117 1.00 0.00 C +ATOM 724 NZ LYS A 50 -17.391 1.404 5.393 1.00 0.00 N +ATOM 725 H LYS A 50 -14.953 2.173 -0.079 1.00 0.00 H +ATOM 726 HA LYS A 50 -14.221 -0.613 0.539 1.00 0.00 H +ATOM 727 HB2 LYS A 50 -15.093 -0.393 2.756 1.00 0.00 H +ATOM 728 HB3 LYS A 50 -13.966 0.932 2.499 1.00 0.00 H +ATOM 729 HG2 LYS A 50 -16.142 2.223 1.799 1.00 0.00 H +ATOM 730 HG3 LYS A 50 -16.926 0.983 2.782 1.00 0.00 H +ATOM 731 HD2 LYS A 50 -14.569 2.500 3.839 1.00 0.00 H +ATOM 732 HD3 LYS A 50 -16.187 3.204 3.897 1.00 0.00 H +ATOM 733 HE2 LYS A 50 -15.550 0.471 4.984 1.00 0.00 H +ATOM 734 HE3 LYS A 50 -15.434 1.936 5.957 1.00 0.00 H +ATOM 735 HZ1 LYS A 50 -17.567 0.851 6.256 1.00 0.00 H +ATOM 736 HZ2 LYS A 50 -17.884 0.951 4.597 1.00 0.00 H +ATOM 737 HZ3 LYS A 50 -17.775 2.361 5.523 1.00 0.00 H Added: SwiftApps/modFTdock/input/indata/2v3s-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2v3s-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2v3s-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,756 @@ +ATOM 1 N GLY A 432 -9.909 6.428 10.823 1.00 35.25 N +ATOM 2 CA GLY A 432 -8.914 7.234 11.574 1.00 34.00 C +ATOM 3 C GLY A 432 -8.792 8.670 11.090 1.00 33.63 C +ATOM 4 O GLY A 432 -9.381 9.041 10.052 1.00 35.89 O +ATOM 5 N PRO A 433 -8.020 9.498 11.816 1.00 32.24 N +ATOM 6 CA PRO A 433 -7.215 9.158 13.009 1.00 30.50 C +ATOM 7 C PRO A 433 -8.048 8.679 14.196 1.00 28.50 C +ATOM 8 O PRO A 433 -9.219 9.051 14.320 1.00 28.08 O +ATOM 9 CB PRO A 433 -6.525 10.477 13.352 1.00 30.70 C +ATOM 10 CG PRO A 433 -7.412 11.532 12.740 1.00 31.90 C +ATOM 11 CD PRO A 433 -7.891 10.924 11.468 1.00 32.40 C +ATOM 12 N ILE A 434 -7.426 7.871 15.046 1.00 25.01 N +ATOM 13 CA ILE A 434 -8.112 7.201 16.161 1.00 23.32 C +ATOM 14 C ILE A 434 -7.515 7.759 17.448 1.00 21.69 C +ATOM 15 O ILE A 434 -6.292 7.830 17.579 1.00 21.61 O +ATOM 16 CB ILE A 434 -7.932 5.647 16.114 1.00 22.10 C +ATOM 17 CG1 ILE A 434 -8.316 5.049 14.744 1.00 23.88 C +ATOM 18 CG2 ILE A 434 -8.747 4.983 17.234 1.00 21.90 C +ATOM 19 CD1 ILE A 434 -8.035 3.543 14.613 1.00 23.87 C +ATOM 20 N SER A 435 -8.362 8.182 18.388 1.00 20.91 N +ATOM 21 CA SER A 435 -7.859 8.726 19.638 1.00 20.58 C +ATOM 22 C SER A 435 -7.817 7.568 20.622 1.00 19.40 C +ATOM 23 O SER A 435 -8.861 6.988 20.920 1.00 19.36 O +ATOM 24 CB SER A 435 -8.772 9.837 20.163 1.00 21.56 C +ATOM 25 OG SER A 435 -8.638 10.990 19.352 1.00 24.26 O +ATOM 26 N LEU A 436 -6.619 7.213 21.062 1.00 19.33 N +ATOM 27 CA LEU A 436 -6.456 6.039 21.899 1.00 18.78 C +ATOM 28 C LEU A 436 -5.958 6.415 23.272 1.00 18.98 C +ATOM 29 O LEU A 436 -5.407 7.522 23.480 1.00 19.29 O +ATOM 30 CB LEU A 436 -5.508 5.033 21.252 1.00 19.06 C +ATOM 31 CG LEU A 436 -5.982 4.337 19.985 1.00 20.01 C +ATOM 32 CD1 LEU A 436 -4.760 3.920 19.192 1.00 20.89 C +ATOM 33 CD2 LEU A 436 -6.848 3.129 20.335 1.00 22.12 C +ATOM 34 N VAL A 437 -6.147 5.488 24.207 1.00 17.61 N +ATOM 35 CA VAL A 437 -5.584 5.602 25.550 1.00 17.57 C +ATOM 36 C VAL A 437 -4.961 4.280 25.950 1.00 17.66 C +ATOM 37 O VAL A 437 -5.615 3.225 25.847 1.00 17.58 O +ATOM 38 CB VAL A 437 -6.667 5.973 26.597 1.00 18.55 C +ATOM 39 CG1 VAL A 437 -5.995 6.354 27.924 1.00 19.31 C +ATOM 40 CG2 VAL A 437 -7.582 7.103 26.061 1.00 19.96 C +ATOM 41 N LEU A 438 -3.698 4.346 26.381 1.00 16.74 N +ATOM 42 CA LEU A 438 -3.038 3.218 27.001 1.00 17.82 C +ATOM 43 C LEU A 438 -3.046 3.476 28.513 1.00 18.47 C +ATOM 44 O LEU A 438 -2.499 4.477 28.999 1.00 18.38 O +ATOM 45 CB LEU A 438 -1.594 3.028 26.490 1.00 17.98 C +ATOM 46 CG LEU A 438 -0.837 1.877 27.178 1.00 19.03 C +ATOM 47 CD1 LEU A 438 -1.484 0.518 26.913 1.00 19.61 C +ATOM 48 CD2 LEU A 438 0.660 1.872 26.782 1.00 18.62 C +ATOM 49 N ARG A 439 -3.702 2.574 29.226 1.00 17.64 N +ATOM 50 CA ARG A 439 -3.790 2.643 30.678 1.00 17.11 C +ATOM 51 C ARG A 439 -2.931 1.556 31.316 1.00 16.56 C +ATOM 52 O ARG A 439 -3.104 0.347 31.051 1.00 15.99 O +ATOM 53 CB ARG A 439 -5.238 2.503 31.147 1.00 18.79 C +ATOM 54 CG ARG A 439 -5.324 2.448 32.668 1.00 17.71 C +ATOM 55 CD ARG A 439 -6.746 2.382 33.138 1.00 19.99 C +ATOM 56 NE ARG A 439 -7.392 3.689 33.079 1.00 22.28 N +ATOM 57 CZ ARG A 439 -8.468 4.015 33.781 1.00 23.27 C +ATOM 58 NH1 ARG A 439 -9.010 3.118 34.612 1.00 23.02 N +ATOM 59 NH2 ARG A 439 -8.998 5.237 33.639 1.00 22.86 N +ATOM 60 N LEU A 440 -1.977 1.996 32.137 1.00 16.94 N +ATOM 61 CA LEU A 440 -1.102 1.060 32.809 1.00 17.99 C +ATOM 62 C LEU A 440 -0.418 1.756 33.987 1.00 17.60 C +ATOM 63 O LEU A 440 -0.340 2.983 34.010 1.00 17.24 O +ATOM 64 CB LEU A 440 -0.069 0.494 31.813 1.00 18.20 C +ATOM 65 CG LEU A 440 1.211 1.285 31.498 1.00 20.29 C +ATOM 66 CD1 LEU A 440 0.828 2.510 30.698 1.00 20.33 C +ATOM 67 CD2 LEU A 440 2.291 0.469 30.722 1.00 19.53 C +ATOM 68 N ARG A 441 0.092 0.963 34.926 1.00 17.18 N +ATOM 69 CA ARG A 441 0.739 1.524 36.114 1.00 17.43 C +ATOM 70 C ARG A 441 2.171 1.951 35.760 1.00 17.32 C +ATOM 71 O ARG A 441 2.850 1.269 34.963 1.00 17.03 O +ATOM 72 CB ARG A 441 0.718 0.510 37.239 1.00 17.21 C +ATOM 73 CG ARG A 441 -0.711 0.289 37.726 1.00 17.29 C +ATOM 74 CD ARG A 441 -0.821 -0.730 38.878 1.00 18.55 C +ATOM 75 NE ARG A 441 -2.241 -0.869 39.229 1.00 18.74 N +ATOM 76 CZ ARG A 441 -2.921 0.000 39.969 1.00 20.42 C +ATOM 77 NH1 ARG A 441 -2.319 1.079 40.480 1.00 18.65 N +ATOM 78 NH2 ARG A 441 -4.223 -0.187 40.187 1.00 19.19 N +ATOM 79 N ASN A 442 2.629 3.057 36.341 1.00 16.47 N +ATOM 80 CA ASN A 442 4.013 3.491 36.127 1.00 15.23 C +ATOM 81 C ASN A 442 4.935 2.722 37.091 1.00 16.13 C +ATOM 82 O ASN A 442 4.482 1.765 37.734 1.00 16.19 O +ATOM 83 CB ASN A 442 4.120 5.020 36.264 1.00 15.28 C +ATOM 84 CG ASN A 442 3.897 5.512 37.694 1.00 14.24 C +ATOM 85 OD1 ASN A 442 3.873 4.724 38.649 1.00 14.71 O +ATOM 86 ND2 ASN A 442 3.792 6.838 37.848 1.00 15.76 N +ATOM 87 N SER A 443 6.198 3.137 37.201 1.00 16.80 N +ATOM 88 CA SER A 443 7.217 2.402 37.979 1.00 17.51 C +ATOM 89 C SER A 443 6.961 2.523 39.479 1.00 17.73 C +ATOM 90 O SER A 443 7.455 1.702 40.274 1.00 18.58 O +ATOM 91 CB SER A 443 8.607 2.944 37.633 1.00 17.27 C +ATOM 92 OG SER A 443 8.888 2.675 36.263 1.00 17.22 O +ATOM 93 N LYS A 444 6.177 3.540 39.855 1.00 17.36 N +ATOM 94 CA LYS A 444 5.742 3.735 41.233 1.00 18.21 C +ATOM 95 C LYS A 444 4.405 3.023 41.523 1.00 18.59 C +ATOM 96 O LYS A 444 3.853 3.193 42.619 1.00 19.38 O +ATOM 97 CB LYS A 444 5.628 5.231 41.565 1.00 17.76 C +ATOM 98 CG LYS A 444 6.958 5.994 41.497 1.00 19.55 C +ATOM 99 CD LYS A 444 6.726 7.460 41.868 1.00 18.43 C +ATOM 100 CE LYS A 444 6.642 7.668 43.356 1.00 20.87 C +ATOM 101 NZ LYS A 444 6.474 9.112 43.659 1.00 18.99 N +ATOM 102 N LYS A 445 3.944 2.211 40.553 1.00 17.74 N +ATOM 103 CA LYS A 445 2.665 1.448 40.609 1.00 18.06 C +ATOM 104 C LYS A 445 1.413 2.347 40.591 1.00 18.67 C +ATOM 105 O LYS A 445 0.308 1.917 40.963 1.00 18.87 O +ATOM 106 CB LYS A 445 2.627 0.496 41.815 1.00 18.80 C +ATOM 107 CG LYS A 445 3.755 -0.480 41.809 1.00 20.80 C +ATOM 108 CD LYS A 445 3.676 -1.478 42.957 1.00 23.87 C +ATOM 109 CE LYS A 445 4.939 -2.316 42.964 1.00 25.58 C +ATOM 110 NZ LYS A 445 4.911 -3.471 43.899 1.00 27.05 N +ATOM 111 N GLU A 446 1.601 3.571 40.109 1.00 17.89 N +ATOM 112 CA GLU A 446 0.514 4.534 39.931 1.00 19.21 C +ATOM 113 C GLU A 446 -0.189 4.398 38.589 1.00 19.03 C +ATOM 114 O GLU A 446 0.449 4.414 37.537 1.00 17.71 O +ATOM 115 CB GLU A 446 1.023 5.977 40.071 1.00 19.16 C +ATOM 116 CG GLU A 446 1.743 6.275 41.415 1.00 21.34 C +ATOM 117 CD GLU A 446 2.490 7.599 41.420 1.00 20.05 C +ATOM 118 OE1 GLU A 446 2.909 8.097 40.353 1.00 19.31 O +ATOM 119 OE2 GLU A 446 2.679 8.139 42.540 1.00 24.49 O +ATOM 120 N LEU A 447 -1.520 4.307 38.638 1.00 19.42 N +ATOM 121 CA LEU A 447 -2.291 4.216 37.400 1.00 20.93 C +ATOM 122 C LEU A 447 -2.235 5.497 36.558 1.00 20.79 C +ATOM 123 O LEU A 447 -2.442 6.609 37.049 1.00 21.40 O +ATOM 124 CB LEU A 447 -3.737 3.813 37.716 1.00 20.57 C +ATOM 125 CG LEU A 447 -4.543 3.187 36.593 1.00 22.55 C +ATOM 126 CD1 LEU A 447 -3.968 1.848 36.223 1.00 19.73 C +ATOM 127 CD2 LEU A 447 -6.006 3.036 37.081 1.00 22.21 C +ATOM 128 N ASN A 448 -1.904 5.344 35.281 1.00 20.86 N +ATOM 129 CA ASN A 448 -1.903 6.467 34.354 1.00 21.37 C +ATOM 130 C ASN A 448 -2.610 6.147 33.052 1.00 20.55 C +ATOM 131 O ASN A 448 -2.612 4.990 32.614 1.00 19.82 O +ATOM 132 CB ASN A 448 -0.476 6.960 34.065 1.00 21.65 C +ATOM 133 CG ASN A 448 0.125 7.669 35.257 1.00 24.22 C +ATOM 134 OD1 ASN A 448 0.567 7.033 36.216 1.00 26.64 O +ATOM 135 ND2 ASN A 448 0.138 8.983 35.208 1.00 25.60 N +ATOM 136 N ASP A 449 -3.212 7.180 32.462 1.00 19.80 N +ATOM 137 CA ASP A 449 -3.866 7.095 31.155 1.00 20.03 C +ATOM 138 C ASP A 449 -3.010 7.857 30.139 1.00 20.93 C +ATOM 139 O ASP A 449 -2.870 9.086 30.222 1.00 20.46 O +ATOM 140 CB ASP A 449 -5.272 7.713 31.202 1.00 19.74 C +ATOM 141 CG ASP A 449 -6.328 6.764 31.753 1.00 19.52 C +ATOM 142 OD1 ASP A 449 -6.090 5.554 31.823 1.00 23.21 O +ATOM 143 OD2 ASP A 449 -7.438 7.224 32.072 1.00 24.26 O +ATOM 144 N ILE A 450 -2.411 7.120 29.202 1.00 20.95 N +ATOM 145 CA ILE A 450 -1.540 7.747 28.207 1.00 21.40 C +ATOM 146 C ILE A 450 -2.347 7.985 26.935 1.00 21.00 C +ATOM 147 O ILE A 450 -2.803 7.037 26.304 1.00 20.58 O +ATOM 148 CB ILE A 450 -0.288 6.891 27.905 1.00 20.90 C +ATOM 149 CG1 ILE A 450 0.495 6.588 29.199 1.00 20.79 C +ATOM 150 CG2 ILE A 450 0.560 7.579 26.813 1.00 21.95 C +ATOM 151 CD1 ILE A 450 1.583 5.493 29.012 1.00 24.46 C +ATOM 152 N ARG A 451 -2.552 9.252 26.589 1.00 20.99 N +ATOM 153 CA ARG A 451 -3.350 9.624 25.407 1.00 21.46 C +ATOM 154 C ARG A 451 -2.451 9.709 24.149 1.00 21.62 C +ATOM 155 O ARG A 451 -1.313 10.179 24.223 1.00 21.18 O +ATOM 156 CB ARG A 451 -4.099 10.944 25.658 1.00 23.39 C +ATOM 157 CG ARG A 451 -5.397 10.781 26.480 1.00 24.01 C +ATOM 158 CD ARG A 451 -5.593 11.807 27.617 1.00 34.31 C +ATOM 159 NE ARG A 451 -4.979 11.370 28.880 1.00 37.62 N +ATOM 160 CZ ARG A 451 -5.477 11.577 30.104 1.00 39.09 C +ATOM 161 NH1 ARG A 451 -6.633 12.214 30.292 1.00 39.45 N +ATOM 162 NH2 ARG A 451 -4.807 11.134 31.158 1.00 39.98 N +ATOM 163 N PHE A 452 -2.935 9.190 23.016 1.00 21.25 N +ATOM 164 CA PHE A 452 -2.179 9.296 21.764 1.00 21.11 C +ATOM 165 C PHE A 452 -3.072 9.014 20.559 1.00 21.76 C +ATOM 166 O PHE A 452 -4.089 8.330 20.678 1.00 21.66 O +ATOM 167 CB PHE A 452 -0.932 8.397 21.792 1.00 21.37 C +ATOM 168 CG PHE A 452 -1.227 6.912 21.763 1.00 20.48 C +ATOM 169 CD1 PHE A 452 -1.257 6.212 20.557 1.00 20.98 C +ATOM 170 CD2 PHE A 452 -1.485 6.216 22.954 1.00 20.62 C +ATOM 171 CE1 PHE A 452 -1.527 4.811 20.542 1.00 21.76 C +ATOM 172 CE2 PHE A 452 -1.776 4.834 22.949 1.00 22.28 C +ATOM 173 CZ PHE A 452 -1.789 4.128 21.740 1.00 22.15 C +ATOM 174 N GLU A 453 -2.698 9.571 19.414 1.00 22.29 N +ATOM 175 CA GLU A 453 -3.429 9.360 18.171 1.00 22.93 C +ATOM 176 C GLU A 453 -2.731 8.286 17.361 1.00 21.39 C +ATOM 177 O GLU A 453 -1.514 8.123 17.457 1.00 21.51 O +ATOM 178 CB GLU A 453 -3.460 10.638 17.336 1.00 23.09 C +ATOM 179 CG GLU A 453 -4.176 11.810 17.941 1.00 26.71 C +ATOM 180 CD GLU A 453 -4.026 13.061 17.084 1.00 27.44 C +ATOM 181 OE1 GLU A 453 -3.766 12.931 15.850 1.00 31.75 O +ATOM 182 OE2 GLU A 453 -4.170 14.167 17.648 1.00 35.54 O +ATOM 183 N PHE A 454 -3.520 7.550 16.588 1.00 19.14 N +ATOM 184 CA PHE A 454 -3.022 6.564 15.627 1.00 18.36 C +ATOM 185 C PHE A 454 -3.715 6.850 14.300 1.00 18.32 C +ATOM 186 O PHE A 454 -4.945 6.878 14.233 1.00 17.87 O +ATOM 187 CB PHE A 454 -3.384 5.141 16.099 1.00 17.54 C +ATOM 188 CG PHE A 454 -2.693 4.049 15.326 1.00 20.11 C +ATOM 189 CD1 PHE A 454 -1.543 3.441 15.838 1.00 18.88 C +ATOM 190 CD2 PHE A 454 -3.165 3.653 14.081 1.00 19.24 C +ATOM 191 CE1 PHE A 454 -0.867 2.426 15.109 1.00 20.65 C +ATOM 192 CE2 PHE A 454 -2.486 2.657 13.328 1.00 17.73 C +ATOM 193 CZ PHE A 454 -1.347 2.045 13.852 1.00 19.14 C +ATOM 194 N THR A 455 -2.933 7.049 13.242 1.00 19.09 N +ATOM 195 CA THR A 455 -3.504 7.291 11.910 1.00 19.12 C +ATOM 196 C THR A 455 -3.352 6.087 10.946 1.00 19.84 C +ATOM 197 O THR A 455 -2.268 5.865 10.422 1.00 18.42 O +ATOM 198 CB THR A 455 -2.879 8.560 11.320 1.00 20.59 C +ATOM 199 OG1 THR A 455 -3.135 9.638 12.232 1.00 20.80 O +ATOM 200 CG2 THR A 455 -3.522 8.895 9.979 1.00 19.20 C +ATOM 201 N PRO A 456 -4.447 5.322 10.718 1.00 20.32 N +ATOM 202 CA PRO A 456 -4.368 4.181 9.784 1.00 21.01 C +ATOM 203 C PRO A 456 -3.878 4.636 8.400 1.00 20.71 C +ATOM 204 O PRO A 456 -4.196 5.751 7.955 1.00 20.11 O +ATOM 205 CB PRO A 456 -5.815 3.687 9.712 1.00 21.41 C +ATOM 206 CG PRO A 456 -6.416 4.096 11.076 1.00 21.33 C +ATOM 207 CD PRO A 456 -5.799 5.456 11.306 1.00 20.85 C +ATOM 208 N GLY A 457 -3.065 3.801 7.762 1.00 20.49 N +ATOM 209 CA GLY A 457 -2.390 4.193 6.518 1.00 21.08 C +ATOM 210 C GLY A 457 -1.024 4.849 6.705 1.00 20.27 C +ATOM 211 O GLY A 457 -0.149 4.726 5.845 1.00 21.21 O +ATOM 212 N ARG A 458 -0.840 5.578 7.805 1.00 19.85 N +ATOM 213 CA ARG A 458 0.437 6.218 8.102 1.00 20.00 C +ATOM 214 C ARG A 458 1.229 5.510 9.183 1.00 19.67 C +ATOM 215 O ARG A 458 2.445 5.364 9.062 1.00 19.78 O +ATOM 216 CB ARG A 458 0.248 7.693 8.493 1.00 21.28 C +ATOM 217 CG ARG A 458 1.533 8.382 8.898 1.00 24.53 C +ATOM 218 CD ARG A 458 1.287 9.889 8.968 1.00 31.36 C +ATOM 219 NE ARG A 458 0.903 10.333 10.304 1.00 38.49 N +ATOM 220 CZ ARG A 458 0.007 11.291 10.557 1.00 40.29 C +ATOM 221 NH1 ARG A 458 -0.645 11.902 9.569 1.00 41.86 N +ATOM 222 NH2 ARG A 458 -0.256 11.621 11.810 1.00 41.33 N +ATOM 223 N ASP A 459 0.545 5.126 10.264 1.00 18.61 N +ATOM 224 CA ASP A 459 1.192 4.493 11.420 1.00 18.45 C +ATOM 225 C ASP A 459 1.025 2.987 11.376 1.00 18.55 C +ATOM 226 O ASP A 459 0.065 2.510 10.807 1.00 18.41 O +ATOM 227 CB ASP A 459 0.506 4.979 12.702 1.00 18.77 C +ATOM 228 CG ASP A 459 0.739 6.467 12.981 1.00 18.89 C +ATOM 229 OD1 ASP A 459 1.844 6.988 12.660 1.00 20.81 O +ATOM 230 OD2 ASP A 459 -0.206 7.104 13.518 1.00 17.90 O +ATOM 231 N THR A 460 1.935 2.257 12.023 1.00 18.38 N +ATOM 232 CA THR A 460 1.738 0.813 12.222 1.00 17.96 C +ATOM 233 C THR A 460 1.689 0.484 13.700 1.00 17.87 C +ATOM 234 O THR A 460 2.205 1.227 14.533 1.00 17.16 O +ATOM 235 CB THR A 460 2.838 -0.030 11.591 1.00 18.33 C +ATOM 236 OG1 THR A 460 4.100 0.287 12.204 1.00 18.86 O +ATOM 237 CG2 THR A 460 2.872 0.198 10.050 1.00 18.42 C +ATOM 238 N ALA A 461 1.086 -0.652 14.011 1.00 17.39 N +ATOM 239 CA ALA A 461 1.037 -1.081 15.397 1.00 17.23 C +ATOM 240 C ALA A 461 2.473 -1.306 15.925 1.00 16.87 C +ATOM 241 O ALA A 461 2.810 -0.860 17.023 1.00 17.49 O +ATOM 242 CB ALA A 461 0.188 -2.341 15.517 1.00 17.78 C +ATOM 243 N GLU A 462 3.334 -1.978 15.153 1.00 17.50 N +ATOM 244 CA GLU A 462 4.735 -2.197 15.597 1.00 18.48 C +ATOM 245 C GLU A 462 5.465 -0.867 15.833 1.00 17.65 C +ATOM 246 O GLU A 462 6.179 -0.703 16.833 1.00 18.70 O +ATOM 247 CB GLU A 462 5.492 -3.054 14.577 1.00 19.23 C +ATOM 248 CG GLU A 462 6.897 -3.386 14.980 1.00 23.93 C +ATOM 249 CD GLU A 462 7.019 -4.781 15.501 1.00 28.97 C +ATOM 250 OE1 GLU A 462 8.141 -5.327 15.391 1.00 32.45 O +ATOM 251 OE2 GLU A 462 5.994 -5.340 15.983 1.00 30.84 O +ATOM 252 N GLY A 463 5.257 0.089 14.927 1.00 16.52 N +ATOM 253 CA GLY A 463 5.980 1.350 14.953 1.00 17.10 C +ATOM 254 C GLY A 463 5.605 2.128 16.184 1.00 17.29 C +ATOM 255 O GLY A 463 6.470 2.613 16.916 1.00 17.27 O +ATOM 256 N VAL A 464 4.303 2.234 16.415 1.00 16.83 N +ATOM 257 CA VAL A 464 3.811 2.999 17.562 1.00 17.26 C +ATOM 258 C VAL A 464 4.200 2.314 18.899 1.00 16.69 C +ATOM 259 O VAL A 464 4.538 2.995 19.881 1.00 16.78 O +ATOM 260 CB VAL A 464 2.302 3.295 17.457 1.00 17.20 C +ATOM 261 CG1 VAL A 464 2.028 4.225 16.266 1.00 16.79 C +ATOM 262 CG2 VAL A 464 1.784 3.959 18.765 1.00 16.96 C +ATOM 263 N SER A 465 4.169 0.975 18.934 1.00 17.63 N +ATOM 264 CA SER A 465 4.619 0.231 20.117 1.00 18.28 C +ATOM 265 C SER A 465 6.090 0.530 20.430 1.00 18.66 C +ATOM 266 O SER A 465 6.480 0.751 21.595 1.00 18.59 O +ATOM 267 CB SER A 465 4.376 -1.261 19.929 1.00 18.33 C +ATOM 268 OG SER A 465 2.975 -1.475 19.776 1.00 19.07 O +ATOM 269 N GLN A 466 6.904 0.577 19.378 1.00 18.71 N +ATOM 270 CA GLN A 466 8.319 0.940 19.534 1.00 19.60 C +ATOM 271 C GLN A 466 8.485 2.358 20.066 1.00 18.55 C +ATOM 272 O GLN A 466 9.333 2.610 20.929 1.00 18.54 O +ATOM 273 CB GLN A 466 9.067 0.737 18.217 1.00 20.58 C +ATOM 274 CG GLN A 466 9.148 -0.738 17.853 1.00 22.65 C +ATOM 275 CD GLN A 466 9.942 -1.005 16.603 1.00 29.54 C +ATOM 276 OE1 GLN A 466 9.768 -0.323 15.572 1.00 34.29 O +ATOM 277 NE2 GLN A 466 10.816 -2.025 16.665 1.00 30.95 N +ATOM 278 N GLU A 467 7.651 3.276 19.578 1.00 18.52 N +ATOM 279 CA GLU A 467 7.605 4.639 20.120 1.00 18.85 C +ATOM 280 C GLU A 467 7.289 4.651 21.615 1.00 18.47 C +ATOM 281 O GLU A 467 7.903 5.405 22.384 1.00 18.66 O +ATOM 282 CB GLU A 467 6.572 5.502 19.398 1.00 18.65 C +ATOM 283 CG GLU A 467 6.954 5.852 17.955 1.00 21.63 C +ATOM 284 CD GLU A 467 5.965 6.808 17.313 1.00 20.94 C +ATOM 285 OE1 GLU A 467 5.622 7.841 17.933 1.00 23.72 O +ATOM 286 OE2 GLU A 467 5.513 6.535 16.189 1.00 25.10 O +ATOM 287 N LEU A 468 6.332 3.828 22.029 1.00 18.28 N +ATOM 288 CA LEU A 468 5.973 3.781 23.454 1.00 18.33 C +ATOM 289 C LEU A 468 7.179 3.355 24.297 1.00 18.74 C +ATOM 290 O LEU A 468 7.437 3.931 25.358 1.00 18.83 O +ATOM 291 CB LEU A 468 4.776 2.846 23.677 1.00 18.64 C +ATOM 292 CG LEU A 468 3.398 3.429 23.327 1.00 18.88 C +ATOM 293 CD1 LEU A 468 2.411 2.290 23.113 1.00 18.55 C +ATOM 294 CD2 LEU A 468 2.845 4.425 24.382 1.00 19.98 C +ATOM 295 N ILE A 469 7.907 2.357 23.793 1.00 18.20 N +ATOM 296 CA ILE A 469 9.097 1.787 24.458 1.00 20.00 C +ATOM 297 C ILE A 469 10.261 2.780 24.498 1.00 20.36 C +ATOM 298 O ILE A 469 10.845 3.026 25.562 1.00 20.81 O +ATOM 299 CB ILE A 469 9.473 0.448 23.793 1.00 19.68 C +ATOM 300 CG1 ILE A 469 8.412 -0.599 24.143 1.00 20.71 C +ATOM 301 CG2 ILE A 469 10.908 -0.013 24.204 1.00 20.51 C +ATOM 302 CD1 ILE A 469 8.379 -1.812 23.217 1.00 21.19 C +ATOM 303 N SER A 470 10.563 3.376 23.352 1.00 21.83 N +ATOM 304 CA SER A 470 11.613 4.397 23.280 1.00 23.24 C +ATOM 305 C SER A 470 11.316 5.615 24.174 1.00 23.11 C +ATOM 306 O SER A 470 12.250 6.252 24.700 1.00 23.89 O +ATOM 307 CB SER A 470 11.866 4.791 21.826 1.00 23.57 C +ATOM 308 OG SER A 470 10.706 5.397 21.309 1.00 27.54 O +ATOM 309 N ALA A 471 10.029 5.909 24.398 1.00 21.93 N +ATOM 310 CA ALA A 471 9.611 6.992 25.304 1.00 21.67 C +ATOM 311 C ALA A 471 9.703 6.617 26.773 1.00 22.06 C +ATOM 312 O ALA A 471 9.464 7.452 27.644 1.00 23.00 O +ATOM 313 CB ALA A 471 8.188 7.486 24.962 1.00 21.79 C +ATOM 314 N GLY A 472 10.033 5.351 27.036 1.00 21.35 N +ATOM 315 CA GLY A 472 10.084 4.829 28.400 1.00 21.17 C +ATOM 316 C GLY A 472 8.727 4.663 29.061 1.00 21.03 C +ATOM 317 O GLY A 472 8.646 4.594 30.283 1.00 22.73 O +ATOM 318 N LEU A 473 7.673 4.542 28.252 1.00 20.80 N +ATOM 319 CA LEU A 473 6.300 4.390 28.751 1.00 21.05 C +ATOM 320 C LEU A 473 5.876 2.920 28.846 1.00 20.38 C +ATOM 321 O LEU A 473 4.979 2.568 29.626 1.00 21.19 O +ATOM 322 CB LEU A 473 5.314 5.172 27.887 1.00 20.72 C +ATOM 323 CG LEU A 473 5.533 6.701 27.906 1.00 21.57 C +ATOM 324 CD1 LEU A 473 4.720 7.379 26.851 1.00 20.94 C +ATOM 325 CD2 LEU A 473 5.268 7.323 29.289 1.00 21.57 C +ATOM 326 N VAL A 474 6.505 2.088 28.021 1.00 19.18 N +ATOM 327 CA VAL A 474 6.240 0.652 27.999 1.00 18.33 C +ATOM 328 C VAL A 474 7.575 -0.094 28.077 1.00 18.11 C +ATOM 329 O VAL A 474 8.580 0.345 27.491 1.00 18.62 O +ATOM 330 CB VAL A 474 5.469 0.305 26.694 1.00 17.43 C +ATOM 331 CG1 VAL A 474 5.456 -1.240 26.436 1.00 16.90 C +ATOM 332 CG2 VAL A 474 4.013 0.917 26.737 1.00 15.90 C +ATOM 333 N ASP A 475 7.589 -1.208 28.821 1.00 17.77 N +ATOM 334 CA ASP A 475 8.777 -2.041 28.970 1.00 18.87 C +ATOM 335 C ASP A 475 9.094 -2.734 27.638 1.00 18.74 C +ATOM 336 O ASP A 475 8.185 -3.245 26.963 1.00 19.49 O +ATOM 337 CB ASP A 475 8.558 -3.086 30.072 1.00 18.85 C +ATOM 338 CG ASP A 475 9.844 -3.880 30.404 1.00 20.82 C +ATOM 339 OD1 ASP A 475 10.239 -4.770 29.609 1.00 20.39 O +ATOM 340 OD2 ASP A 475 10.430 -3.643 31.487 1.00 22.19 O +ATOM 341 N GLY A 476 10.376 -2.778 27.264 1.00 19.04 N +ATOM 342 CA GLY A 476 10.759 -3.430 25.993 1.00 18.81 C +ATOM 343 C GLY A 476 10.311 -4.884 25.812 1.00 18.35 C +ATOM 344 O GLY A 476 10.099 -5.344 24.651 1.00 18.36 O +ATOM 345 N ARG A 477 10.139 -5.602 26.928 1.00 17.27 N +ATOM 346 CA ARG A 477 9.668 -6.996 26.899 1.00 17.31 C +ATOM 347 C ARG A 477 8.232 -7.127 26.378 1.00 18.32 C +ATOM 348 O ARG A 477 7.812 -8.195 25.906 1.00 18.22 O +ATOM 349 CB ARG A 477 9.758 -7.621 28.287 1.00 17.97 C +ATOM 350 CG ARG A 477 11.206 -7.908 28.720 1.00 18.58 C +ATOM 351 CD ARG A 477 11.263 -8.285 30.163 1.00 19.91 C +ATOM 352 NE ARG A 477 11.042 -7.122 31.015 1.00 22.17 N +ATOM 353 CZ ARG A 477 11.029 -7.159 32.332 1.00 22.23 C +ATOM 354 NH1 ARG A 477 11.240 -8.322 32.963 1.00 22.71 N +ATOM 355 NH2 ARG A 477 10.818 -6.046 33.010 1.00 22.71 N +ATOM 356 N ASP A 478 7.509 -6.015 26.441 1.00 17.29 N +ATOM 357 CA ASP A 478 6.090 -5.965 26.073 1.00 17.57 C +ATOM 358 C ASP A 478 5.804 -5.570 24.609 1.00 17.72 C +ATOM 359 O ASP A 478 4.638 -5.427 24.205 1.00 17.31 O +ATOM 360 CB ASP A 478 5.381 -5.052 27.068 1.00 17.38 C +ATOM 361 CG ASP A 478 5.478 -5.577 28.481 1.00 16.46 C +ATOM 362 OD1 ASP A 478 5.452 -6.813 28.650 1.00 17.90 O +ATOM 363 OD2 ASP A 478 5.564 -4.764 29.417 1.00 17.98 O +ATOM 364 N LEU A 479 6.857 -5.406 23.806 1.00 17.88 N +ATOM 365 CA LEU A 479 6.683 -5.016 22.394 1.00 17.19 C +ATOM 366 C LEU A 479 5.635 -5.848 21.639 1.00 17.44 C +ATOM 367 O LEU A 479 4.678 -5.316 21.062 1.00 17.37 O +ATOM 368 CB LEU A 479 8.049 -5.058 21.645 1.00 16.94 C +ATOM 369 CG LEU A 479 7.916 -4.790 20.136 1.00 17.78 C +ATOM 370 CD1 LEU A 479 7.378 -3.375 19.914 1.00 20.24 C +ATOM 371 CD2 LEU A 479 9.273 -4.991 19.496 1.00 21.20 C +ATOM 372 N VAL A 480 5.819 -7.159 21.659 1.00 16.78 N +ATOM 373 CA VAL A 480 4.976 -8.074 20.914 1.00 17.81 C +ATOM 374 C VAL A 480 3.506 -8.043 21.352 1.00 17.03 C +ATOM 375 O VAL A 480 2.615 -7.934 20.509 1.00 17.27 O +ATOM 376 CB VAL A 480 5.590 -9.502 20.926 1.00 18.43 C +ATOM 377 CG1 VAL A 480 4.608 -10.546 20.372 1.00 20.88 C +ATOM 378 CG2 VAL A 480 6.887 -9.471 20.107 1.00 19.32 C +ATOM 379 N ILE A 481 3.251 -8.115 22.662 1.00 16.56 N +ATOM 380 CA ILE A 481 1.874 -8.136 23.137 1.00 16.81 C +ATOM 381 C ILE A 481 1.178 -6.771 22.922 1.00 16.27 C +ATOM 382 O ILE A 481 -0.014 -6.695 22.565 1.00 15.55 O +ATOM 383 CB ILE A 481 1.767 -8.651 24.613 1.00 17.71 C +ATOM 384 CG1 ILE A 481 0.298 -8.931 24.973 1.00 16.69 C +ATOM 385 CG2 ILE A 481 2.454 -7.728 25.627 1.00 19.30 C +ATOM 386 CD1 ILE A 481 -0.335 -10.008 24.179 1.00 22.84 C +ATOM 387 N VAL A 482 1.922 -5.684 23.132 1.00 15.51 N +ATOM 388 CA VAL A 482 1.307 -4.364 22.921 1.00 15.70 C +ATOM 389 C VAL A 482 1.008 -4.141 21.426 1.00 15.70 C +ATOM 390 O VAL A 482 -0.084 -3.681 21.071 1.00 15.95 O +ATOM 391 CB VAL A 482 2.219 -3.244 23.497 1.00 15.55 C +ATOM 392 CG1 VAL A 482 1.807 -1.852 22.999 1.00 17.04 C +ATOM 393 CG2 VAL A 482 2.222 -3.314 25.008 1.00 16.41 C +ATOM 394 N ALA A 483 1.965 -4.488 20.559 1.00 15.54 N +ATOM 395 CA ALA A 483 1.744 -4.408 19.106 1.00 15.97 C +ATOM 396 C ALA A 483 0.537 -5.241 18.672 1.00 16.66 C +ATOM 397 O ALA A 483 -0.296 -4.764 17.898 1.00 16.19 O +ATOM 398 CB ALA A 483 3.019 -4.800 18.311 1.00 17.28 C +ATOM 399 N ALA A 484 0.412 -6.467 19.190 1.00 16.39 N +ATOM 400 CA ALA A 484 -0.725 -7.327 18.825 1.00 16.03 C +ATOM 401 C ALA A 484 -2.076 -6.703 19.216 1.00 15.80 C +ATOM 402 O ALA A 484 -3.033 -6.673 18.422 1.00 15.23 O +ATOM 403 CB ALA A 484 -0.581 -8.719 19.411 1.00 16.61 C +ATOM 404 N ASN A 485 -2.131 -6.182 20.440 1.00 14.63 N +ATOM 405 CA ASN A 485 -3.359 -5.564 20.950 1.00 15.00 C +ATOM 406 C ASN A 485 -3.663 -4.218 20.319 1.00 15.14 C +ATOM 407 O ASN A 485 -4.814 -3.881 20.068 1.00 14.99 O +ATOM 408 CB ASN A 485 -3.283 -5.495 22.479 1.00 14.84 C +ATOM 409 CG ASN A 485 -3.575 -6.840 23.108 1.00 15.64 C +ATOM 410 OD1 ASN A 485 -2.671 -7.640 23.364 1.00 19.23 O +ATOM 411 ND2 ASN A 485 -4.848 -7.103 23.346 1.00 13.68 N +ATOM 412 N LEU A 486 -2.612 -3.472 19.983 1.00 15.17 N +ATOM 413 CA LEU A 486 -2.801 -2.225 19.225 1.00 15.26 C +ATOM 414 C LEU A 486 -3.396 -2.514 17.836 1.00 15.65 C +ATOM 415 O LEU A 486 -4.352 -1.859 17.401 1.00 15.74 O +ATOM 416 CB LEU A 486 -1.483 -1.444 19.112 1.00 15.42 C +ATOM 417 CG LEU A 486 -1.559 -0.049 18.481 1.00 18.31 C +ATOM 418 CD1 LEU A 486 -0.212 0.703 18.657 1.00 17.64 C +ATOM 419 CD2 LEU A 486 -2.719 0.782 19.008 1.00 19.91 C +ATOM 420 N GLN A 487 -2.862 -3.544 17.177 1.00 15.89 N +ATOM 421 CA GLN A 487 -3.402 -3.945 15.880 1.00 16.97 C +ATOM 422 C GLN A 487 -4.895 -4.306 15.999 1.00 17.04 C +ATOM 423 O GLN A 487 -5.720 -3.904 15.167 1.00 17.84 O +ATOM 424 CB GLN A 487 -2.619 -5.153 15.342 1.00 16.98 C +ATOM 425 CG GLN A 487 -3.171 -5.691 14.041 1.00 15.94 C +ATOM 426 CD GLN A 487 -3.157 -4.650 12.921 1.00 18.78 C +ATOM 427 OE1 GLN A 487 -2.259 -3.810 12.859 1.00 19.13 O +ATOM 428 NE2 GLN A 487 -4.146 -4.715 12.022 1.00 19.41 N +ATOM 429 N LYS A 488 -5.236 -5.049 17.050 1.00 17.50 N +ATOM 430 CA LYS A 488 -6.613 -5.483 17.291 1.00 19.05 C +ATOM 431 C LYS A 488 -7.580 -4.305 17.402 1.00 19.62 C +ATOM 432 O LYS A 488 -8.654 -4.299 16.787 1.00 19.52 O +ATOM 433 CB LYS A 488 -6.688 -6.328 18.557 1.00 19.14 C +ATOM 434 CG LYS A 488 -8.098 -6.847 18.823 1.00 19.92 C +ATOM 435 CD LYS A 488 -8.132 -7.799 19.961 1.00 19.20 C +ATOM 436 CE LYS A 488 -9.574 -8.244 20.185 1.00 23.48 C +ATOM 437 NZ LYS A 488 -9.696 -9.418 21.077 1.00 25.72 N +ATOM 438 N ILE A 489 -7.204 -3.325 18.210 1.00 19.70 N +ATOM 439 CA ILE A 489 -8.075 -2.184 18.454 1.00 21.43 C +ATOM 440 C ILE A 489 -8.148 -1.252 17.224 1.00 22.09 C +ATOM 441 O ILE A 489 -9.224 -0.729 16.900 1.00 22.91 O +ATOM 442 CB ILE A 489 -7.700 -1.487 19.785 1.00 21.35 C +ATOM 443 CG1 ILE A 489 -8.822 -0.527 20.231 1.00 23.70 C +ATOM 444 CG2 ILE A 489 -6.318 -0.827 19.699 1.00 21.87 C +ATOM 445 CD1 ILE A 489 -8.879 -0.318 21.706 1.00 25.68 C +ATOM 446 N VAL A 490 -7.037 -1.093 16.502 1.00 22.25 N +ATOM 447 CA VAL A 490 -7.052 -0.199 15.342 1.00 24.32 C +ATOM 448 C VAL A 490 -7.773 -0.741 14.083 1.00 25.91 C +ATOM 449 O VAL A 490 -8.311 0.048 13.291 1.00 27.11 O +ATOM 450 CB VAL A 490 -5.645 0.364 14.977 1.00 24.03 C +ATOM 451 CG1 VAL A 490 -4.704 -0.724 14.554 1.00 25.11 C +ATOM 452 CG2 VAL A 490 -5.081 1.182 16.125 1.00 23.27 C +ATOM 453 N GLU A 491 -7.786 -2.059 13.894 1.00 27.74 N +ATOM 454 CA GLU A 491 -8.388 -2.641 12.680 1.00 30.15 C +ATOM 455 C GLU A 491 -9.923 -2.587 12.706 1.00 31.72 C +ATOM 456 O GLU A 491 -10.570 -2.375 11.667 1.00 32.16 O +ATOM 457 CB GLU A 491 -7.863 -4.050 12.403 1.00 29.60 C +ATOM 458 CG GLU A 491 -8.188 -5.082 13.470 1.00 30.28 C +ATOM 459 CD GLU A 491 -7.356 -6.350 13.350 1.00 30.95 C +ATOM 460 OE1 GLU A 491 -6.451 -6.419 12.473 1.00 32.21 O +ATOM 461 OE2 GLU A 491 -7.610 -7.277 14.154 1.00 31.64 O +ATOM 462 N GLU A 492 -10.489 -2.749 13.894 1.00 33.44 N +ATOM 463 CA GLU A 492 -11.926 -2.547 14.112 1.00 35.49 C +ATOM 464 C GLU A 492 -12.163 -1.710 15.375 1.00 35.86 C +ATOM 465 O GLU A 492 -12.490 -2.264 16.429 1.00 36.37 O +ATOM 466 CB GLU A 492 -12.666 -3.893 14.196 1.00 36.04 C +ATOM 467 CG GLU A 492 -13.569 -4.225 12.985 1.00 38.73 C +ATOM 468 CD GLU A 492 -12.799 -4.761 11.783 1.00 41.56 C +ATOM 469 OE1 GLU A 492 -11.773 -5.462 11.976 1.00 44.88 O +ATOM 470 OE2 GLU A 492 -13.233 -4.494 10.639 1.00 42.41 O +ATOM 471 N PRO A 493 -11.978 -0.370 15.281 1.00 36.28 N +ATOM 472 CA PRO A 493 -12.201 0.543 16.415 1.00 36.58 C +ATOM 473 C PRO A 493 -13.691 0.722 16.719 1.00 37.59 C +ATOM 474 O PRO A 493 -14.053 1.337 17.736 1.00 37.90 O +ATOM 475 CB PRO A 493 -11.602 1.864 15.928 1.00 36.31 C +ATOM 476 CG PRO A 493 -11.708 1.804 14.437 1.00 35.71 C +ATOM 477 CD PRO A 493 -11.529 0.356 14.074 1.00 36.57 C +ATOM 478 N GLN A 494 -14.525 0.205 15.818 1.00 38.14 N +ATOM 479 CA GLN A 494 -15.976 0.149 15.996 1.00 39.50 C +ATOM 480 C GLN A 494 -16.402 -1.020 16.867 1.00 39.75 C +ATOM 481 O GLN A 494 -17.282 -0.875 17.718 1.00 40.59 O +ATOM 482 N SER A 495 -15.793 -2.188 16.649 1.00 40.10 N +ATOM 483 CA SER A 495 -16.034 -3.341 17.511 1.00 39.96 C +ATOM 484 C SER A 495 -15.287 -3.116 18.830 1.00 39.55 C +ATOM 485 O SER A 495 -15.912 -2.813 19.864 1.00 40.14 O +ATOM 486 CB SER A 495 -15.592 -4.646 16.835 1.00 40.06 C +ATOM 487 OG SER A 495 -16.137 -4.773 15.526 1.00 41.98 O +ATOM 488 N ASN A 496 -13.954 -3.195 18.754 1.00 38.37 N +ATOM 489 CA ASN A 496 -13.047 -3.168 19.908 1.00 36.71 C +ATOM 490 C ASN A 496 -12.928 -1.796 20.579 1.00 35.09 C +ATOM 491 O ASN A 496 -12.060 -0.984 20.226 1.00 35.44 O +ATOM 492 CB ASN A 496 -11.652 -3.660 19.498 1.00 37.28 C +ATOM 493 CG ASN A 496 -11.698 -4.865 18.567 1.00 38.83 C +ATOM 494 OD1 ASN A 496 -12.049 -5.970 18.978 1.00 42.22 O +ATOM 495 ND2 ASN A 496 -11.331 -4.656 17.309 1.00 41.53 N +ATOM 496 N ARG A 497 -13.800 -1.533 21.544 1.00 32.52 N +ATOM 497 CA ARG A 497 -13.728 -0.278 22.298 1.00 30.73 C +ATOM 498 C ARG A 497 -12.637 -0.345 23.388 1.00 28.60 C +ATOM 499 O ARG A 497 -12.090 0.682 23.790 1.00 25.88 O +ATOM 500 CB ARG A 497 -15.094 0.070 22.905 1.00 32.30 C +ATOM 501 CG ARG A 497 -16.212 0.366 21.878 1.00 34.19 C +ATOM 502 CD ARG A 497 -16.254 1.850 21.493 1.00 39.12 C +ATOM 503 NE ARG A 497 -16.295 2.700 22.692 1.00 43.02 N +ATOM 504 CZ ARG A 497 -16.053 4.009 22.738 1.00 44.30 C +ATOM 505 NH1 ARG A 497 -15.753 4.698 21.639 1.00 43.78 N +ATOM 506 NH2 ARG A 497 -16.122 4.635 23.910 1.00 45.62 N +ATOM 507 N SER A 498 -12.332 -1.560 23.855 1.00 26.03 N +ATOM 508 CA SER A 498 -11.341 -1.754 24.920 1.00 24.66 C +ATOM 509 C SER A 498 -10.735 -3.149 24.798 1.00 22.49 C +ATOM 510 O SER A 498 -11.444 -4.123 24.537 1.00 21.66 O +ATOM 511 CB SER A 498 -11.989 -1.621 26.293 1.00 25.63 C +ATOM 512 OG SER A 498 -11.002 -1.641 27.292 1.00 27.32 O +ATOM 513 N VAL A 499 -9.424 -3.229 24.953 1.00 21.17 N +ATOM 514 CA VAL A 499 -8.742 -4.513 25.062 1.00 19.95 C +ATOM 515 C VAL A 499 -7.813 -4.508 26.290 1.00 19.08 C +ATOM 516 O VAL A 499 -7.039 -3.579 26.462 1.00 18.23 O +ATOM 517 CB VAL A 499 -7.995 -4.908 23.752 1.00 21.04 C +ATOM 518 CG1 VAL A 499 -6.937 -3.863 23.321 1.00 21.35 C +ATOM 519 CG2 VAL A 499 -8.998 -5.141 22.615 1.00 22.55 C +ATOM 520 N THR A 500 -7.895 -5.550 27.121 1.00 17.74 N +ATOM 521 CA THR A 500 -7.042 -5.664 28.285 1.00 18.17 C +ATOM 522 C THR A 500 -6.150 -6.890 28.076 1.00 17.79 C +ATOM 523 O THR A 500 -6.623 -7.940 27.640 1.00 17.43 O +ATOM 524 CB THR A 500 -7.871 -5.805 29.592 1.00 18.88 C +ATOM 525 OG1 THR A 500 -8.706 -4.634 29.768 1.00 18.89 O +ATOM 526 CG2 THR A 500 -6.950 -5.965 30.795 1.00 18.96 C +ATOM 527 N PHE A 501 -4.864 -6.738 28.352 1.00 17.26 N +ATOM 528 CA PHE A 501 -3.889 -7.783 27.993 1.00 17.03 C +ATOM 529 C PHE A 501 -2.762 -7.860 29.001 1.00 17.22 C +ATOM 530 O PHE A 501 -2.437 -6.877 29.681 1.00 15.84 O +ATOM 531 CB PHE A 501 -3.338 -7.537 26.592 1.00 16.69 C +ATOM 532 CG PHE A 501 -2.757 -6.149 26.420 1.00 17.01 C +ATOM 533 CD1 PHE A 501 -3.558 -5.102 25.949 1.00 18.26 C +ATOM 534 CD2 PHE A 501 -1.431 -5.896 26.768 1.00 15.90 C +ATOM 535 CE1 PHE A 501 -3.018 -3.814 25.802 1.00 19.14 C +ATOM 536 CE2 PHE A 501 -0.881 -4.623 26.647 1.00 16.50 C +ATOM 537 CZ PHE A 501 -1.675 -3.575 26.147 1.00 15.96 C +ATOM 538 N LYS A 502 -2.207 -9.064 29.122 1.00 17.16 N +ATOM 539 CA LYS A 502 -1.052 -9.325 29.955 1.00 18.14 C +ATOM 540 C LYS A 502 0.189 -8.565 29.486 1.00 19.05 C +ATOM 541 O LYS A 502 0.401 -8.355 28.258 1.00 20.74 O +ATOM 542 CB LYS A 502 -0.693 -10.799 29.921 1.00 17.83 C +ATOM 543 CG LYS A 502 -1.707 -11.729 30.480 1.00 19.97 C +ATOM 544 CD LYS A 502 -1.036 -13.109 30.555 1.00 22.44 C +ATOM 545 CE LYS A 502 -1.961 -14.173 31.117 1.00 24.65 C +ATOM 546 NZ LYS A 502 -1.350 -15.536 30.940 1.00 22.06 N +ATOM 547 N LEU A 503 1.002 -8.193 30.466 1.00 19.43 N +ATOM 548 CA LEU A 503 2.356 -7.702 30.239 1.00 19.18 C +ATOM 549 C LEU A 503 3.378 -8.818 30.459 1.00 19.02 C +ATOM 550 O LEU A 503 3.450 -9.419 31.545 1.00 18.65 O +ATOM 551 CB LEU A 503 2.664 -6.497 31.151 1.00 20.19 C +ATOM 552 CG LEU A 503 1.800 -5.253 30.909 1.00 21.19 C +ATOM 553 CD1 LEU A 503 2.135 -4.152 31.889 1.00 21.96 C +ATOM 554 CD2 LEU A 503 1.929 -4.758 29.455 1.00 22.11 C +ATOM 555 N ALA A 504 4.171 -9.109 29.431 1.00 18.76 N +ATOM 556 CA ALA A 504 5.336 -9.998 29.607 1.00 20.09 C +ATOM 557 C ALA A 504 6.236 -9.568 30.790 1.00 20.78 C +ATOM 558 O ALA A 504 6.712 -10.407 31.580 1.00 20.97 O +ATOM 559 CB ALA A 504 6.142 -10.087 28.309 1.00 20.19 C +ATOM 560 N SER A 505 6.440 -8.255 30.923 1.00 20.77 N +ATOM 561 CA SER A 505 7.240 -7.691 32.020 1.00 20.64 C +ATOM 562 C SER A 505 6.690 -7.948 33.424 1.00 22.23 C +ATOM 563 O SER A 505 7.451 -7.891 34.405 1.00 23.70 O +ATOM 564 CB SER A 505 7.422 -6.185 31.826 1.00 21.37 C +ATOM 565 OG SER A 505 6.159 -5.551 31.716 1.00 18.62 O +ATOM 566 N GLY A 506 5.381 -8.191 33.535 1.00 22.21 N +ATOM 567 CA GLY A 506 4.771 -8.403 34.857 1.00 23.93 C +ATOM 568 C GLY A 506 4.559 -9.854 35.275 1.00 25.28 C +ATOM 569 O GLY A 506 3.980 -10.120 36.329 1.00 24.86 O +ATOM 570 N VAL A 507 4.988 -10.793 34.433 1.00 26.84 N +ATOM 571 CA VAL A 507 4.706 -12.213 34.653 1.00 28.56 C +ATOM 572 C VAL A 507 5.129 -12.766 36.039 1.00 30.76 C +ATOM 573 O VAL A 507 4.348 -13.486 36.695 1.00 30.89 O +ATOM 574 CB VAL A 507 5.195 -13.074 33.459 1.00 28.14 C +ATOM 575 CG1 VAL A 507 5.123 -14.563 33.782 1.00 29.01 C +ATOM 576 CG2 VAL A 507 4.329 -12.767 32.261 1.00 26.35 C +ATOM 577 N GLU A 508 6.323 -12.396 36.498 1.00 32.72 N +ATOM 578 CA GLU A 508 6.790 -12.812 37.834 1.00 35.98 C +ATOM 579 C GLU A 508 7.242 -11.706 38.778 1.00 37.75 C +ATOM 580 O GLU A 508 7.755 -11.991 39.868 1.00 39.03 O +ATOM 581 N GLY A 509 7.023 -10.447 38.390 1.00 38.95 N +ATOM 582 CA GLY A 509 7.732 -9.308 38.990 1.00 39.94 C +ATOM 583 C GLY A 509 7.254 -8.806 40.374 1.00 40.31 C +ATOM 584 O GLY A 509 6.872 -7.632 40.529 1.00 40.81 O +ATOM 585 N SER A 510 7.295 -9.691 41.374 1.00 40.66 N +ATOM 586 CA SER A 510 7.115 -9.299 42.785 1.00 39.58 C +ATOM 587 C SER A 510 5.670 -9.130 43.229 1.00 39.18 C +ATOM 588 O SER A 510 5.333 -9.433 44.385 1.00 40.14 O +ATOM 589 N ASP A 511 4.825 -8.637 42.314 1.00 37.25 N +ATOM 590 CA ASP A 511 3.382 -8.570 42.511 1.00 34.87 C +ATOM 591 C ASP A 511 2.676 -9.548 41.585 1.00 32.68 C +ATOM 592 O ASP A 511 2.969 -9.594 40.387 1.00 31.77 O +ATOM 593 CB ASP A 511 2.864 -7.183 42.170 1.00 35.33 C +ATOM 594 CG ASP A 511 3.299 -6.145 43.147 1.00 36.66 C +ATOM 595 OD1 ASP A 511 3.324 -6.410 44.372 1.00 36.95 O +ATOM 596 OD2 ASP A 511 3.599 -5.038 42.671 1.00 37.84 O +ATOM 597 N ILE A 512 1.714 -10.292 42.123 1.00 29.49 N +ATOM 598 CA ILE A 512 0.997 -11.271 41.312 1.00 27.61 C +ATOM 599 C ILE A 512 0.110 -10.537 40.309 1.00 25.07 C +ATOM 600 O ILE A 512 -0.587 -9.589 40.684 1.00 23.27 O +ATOM 601 CB ILE A 512 0.149 -12.248 42.183 1.00 27.84 C +ATOM 602 CG1 ILE A 512 1.066 -13.272 42.869 1.00 29.93 C +ATOM 603 CG2 ILE A 512 -0.903 -12.962 41.355 1.00 29.65 C +ATOM 604 CD1 ILE A 512 1.683 -12.772 44.153 1.00 31.85 C +ATOM 605 N PRO A 513 0.151 -10.963 39.031 1.00 23.70 N +ATOM 606 CA PRO A 513 -0.725 -10.344 38.018 1.00 22.33 C +ATOM 607 C PRO A 513 -2.190 -10.346 38.429 1.00 21.98 C +ATOM 608 O PRO A 513 -2.694 -11.329 39.006 1.00 21.51 O +ATOM 609 CB PRO A 513 -0.507 -11.228 36.777 1.00 22.71 C +ATOM 610 CG PRO A 513 0.915 -11.722 36.953 1.00 22.75 C +ATOM 611 CD PRO A 513 1.021 -11.995 38.435 1.00 24.16 C +ATOM 612 N ASP A 514 -2.857 -9.235 38.140 1.00 20.18 N +ATOM 613 CA ASP A 514 -4.258 -9.069 38.481 1.00 20.90 C +ATOM 614 C ASP A 514 -4.881 -8.141 37.453 1.00 20.29 C +ATOM 615 O ASP A 514 -4.591 -6.935 37.440 1.00 20.36 O +ATOM 616 CB ASP A 514 -4.380 -8.490 39.888 1.00 20.08 C +ATOM 617 CG ASP A 514 -5.824 -8.370 40.351 1.00 21.71 C +ATOM 618 OD1 ASP A 514 -6.686 -7.992 39.548 1.00 20.62 O +ATOM 619 OD2 ASP A 514 -6.088 -8.642 41.538 1.00 24.67 O +ATOM 620 N ASP A 515 -5.717 -8.700 36.582 1.00 20.45 N +ATOM 621 CA ASP A 515 -6.304 -7.909 35.491 1.00 21.72 C +ATOM 622 C ASP A 515 -7.257 -6.822 35.991 1.00 21.07 C +ATOM 623 O ASP A 515 -7.220 -5.712 35.430 1.00 20.42 O +ATOM 624 CB ASP A 515 -6.955 -8.782 34.420 1.00 22.61 C +ATOM 625 CG ASP A 515 -8.199 -9.488 34.919 1.00 25.68 C +ATOM 626 OD1 ASP A 515 -8.108 -10.159 35.964 1.00 28.67 O +ATOM 627 OD2 ASP A 515 -9.262 -9.346 34.272 1.00 31.12 O +ATOM 628 N GLY A 516 -8.067 -7.142 37.029 1.00 20.93 N +ATOM 629 CA GLY A 516 -8.922 -6.175 37.820 1.00 21.09 C +ATOM 630 C GLY A 516 -8.193 -4.849 37.907 1.00 19.68 C +ATOM 631 O GLY A 516 -8.798 -3.782 37.776 1.00 18.28 O +ATOM 632 N LYS A 517 -6.925 -4.856 38.277 1.00 19.91 N +ATOM 633 CA LYS A 517 -6.320 -3.981 39.272 1.00 19.01 C +ATOM 634 C LYS A 517 -5.261 -3.390 38.278 1.00 18.49 C +ATOM 635 O LYS A 517 -4.465 -2.510 38.609 1.00 18.38 O +ATOM 636 CB LYS A 517 -5.632 -4.691 40.422 1.00 18.97 C +ATOM 637 CG LYS A 517 -6.595 -5.092 41.530 1.00 22.55 C +ATOM 638 CD LYS A 517 -5.799 -5.448 42.775 1.00 24.60 C +ATOM 639 CE LYS A 517 -6.640 -6.320 43.718 1.00 28.56 C +ATOM 640 NZ LYS A 517 -5.735 -7.004 44.671 1.00 30.76 N +ATOM 641 N LEU A 518 -5.253 -3.934 37.048 1.00 17.95 N +ATOM 642 CA LEU A 518 -4.191 -3.652 36.059 1.00 16.91 C +ATOM 643 C LEU A 518 -2.783 -3.717 36.691 1.00 17.07 C +ATOM 644 O LEU A 518 -1.983 -2.763 36.644 1.00 16.26 O +ATOM 645 CB LEU A 518 -4.431 -2.344 35.283 1.00 17.42 C +ATOM 646 CG LEU A 518 -5.652 -2.315 34.341 1.00 18.03 C +ATOM 647 CD1 LEU A 518 -5.761 -0.965 33.693 1.00 16.99 C +ATOM 648 CD2 LEU A 518 -5.694 -3.429 33.294 1.00 17.35 C +ATOM 649 N ILE A 519 -2.517 -4.866 37.307 1.00 16.35 N +ATOM 650 CA ILE A 519 -1.173 -5.197 37.800 1.00 17.59 C +ATOM 651 C ILE A 519 -0.635 -6.303 36.891 1.00 17.18 C +ATOM 652 O ILE A 519 -1.207 -7.405 36.857 1.00 17.58 O +ATOM 653 CB ILE A 519 -1.203 -5.680 39.273 1.00 17.96 C +ATOM 654 CG1 ILE A 519 -1.729 -4.564 40.198 1.00 19.02 C +ATOM 655 CG2 ILE A 519 0.172 -6.184 39.703 1.00 18.62 C +ATOM 656 CD1 ILE A 519 -2.117 -5.053 41.614 1.00 19.11 C +ATOM 657 N GLY A 520 0.457 -6.035 36.165 1.00 17.37 N +ATOM 658 CA GLY A 520 0.908 -7.041 35.187 1.00 16.42 C +ATOM 659 C GLY A 520 0.004 -7.152 33.968 1.00 16.36 C +ATOM 660 O GLY A 520 0.175 -8.054 33.148 1.00 16.99 O +ATOM 661 N PHE A 521 -0.933 -6.209 33.838 1.00 15.61 N +ATOM 662 CA PHE A 521 -1.817 -6.064 32.667 1.00 15.66 C +ATOM 663 C PHE A 521 -1.881 -4.592 32.295 1.00 15.65 C +ATOM 664 O PHE A 521 -1.667 -3.713 33.142 1.00 16.66 O +ATOM 665 CB PHE A 521 -3.243 -6.510 33.006 1.00 15.33 C +ATOM 666 CG PHE A 521 -3.428 -8.015 33.074 1.00 16.29 C +ATOM 667 CD1 PHE A 521 -2.998 -8.737 34.186 1.00 17.82 C +ATOM 668 CD2 PHE A 521 -4.102 -8.694 32.047 1.00 19.41 C +ATOM 669 CE1 PHE A 521 -3.194 -10.144 34.266 1.00 15.98 C +ATOM 670 CE2 PHE A 521 -4.308 -10.099 32.118 1.00 16.15 C +ATOM 671 CZ PHE A 521 -3.859 -10.809 33.240 1.00 16.65 C +ATOM 672 N ALA A 522 -2.220 -4.328 31.037 1.00 15.26 N +ATOM 673 CA ALA A 522 -2.495 -2.971 30.583 1.00 15.67 C +ATOM 674 C ALA A 522 -3.767 -2.987 29.763 1.00 16.08 C +ATOM 675 O ALA A 522 -4.286 -4.060 29.417 1.00 15.13 O +ATOM 676 CB ALA A 522 -1.333 -2.402 29.782 1.00 15.57 C +ATOM 677 N GLN A 523 -4.283 -1.812 29.446 1.00 16.47 N +ATOM 678 CA GLN A 523 -5.522 -1.722 28.699 1.00 16.43 C +ATOM 679 C GLN A 523 -5.457 -0.621 27.646 1.00 16.76 C +ATOM 680 O GLN A 523 -5.072 0.516 27.942 1.00 17.39 O +ATOM 681 CB GLN A 523 -6.715 -1.494 29.640 1.00 16.51 C +ATOM 682 CG GLN A 523 -8.031 -1.316 28.942 1.00 17.31 C +ATOM 683 CD GLN A 523 -9.114 -0.910 29.893 1.00 19.73 C +ATOM 684 OE1 GLN A 523 -9.350 0.286 30.069 1.00 20.67 O +ATOM 685 NE2 GLN A 523 -9.744 -1.894 30.568 1.00 20.15 N +ATOM 686 N LEU A 524 -5.848 -0.965 26.429 1.00 16.21 N +ATOM 687 CA LEU A 524 -5.914 0.004 25.335 1.00 16.23 C +ATOM 688 C LEU A 524 -7.390 0.219 25.080 1.00 16.70 C +ATOM 689 O LEU A 524 -8.174 -0.744 25.051 1.00 15.95 O +ATOM 690 CB LEU A 524 -5.263 -0.581 24.070 1.00 17.07 C +ATOM 691 CG LEU A 524 -3.777 -0.302 23.906 1.00 17.90 C +ATOM 692 CD1 LEU A 524 -3.137 -1.236 22.868 1.00 20.20 C +ATOM 693 CD2 LEU A 524 -3.562 1.191 23.519 1.00 18.62 C +ATOM 694 N SER A 525 -7.779 1.479 24.891 1.00 17.45 N +ATOM 695 CA SER A 525 -9.171 1.800 24.689 1.00 17.63 C +ATOM 696 C SER A 525 -9.334 2.992 23.763 1.00 18.36 C +ATOM 697 O SER A 525 -8.412 3.788 23.588 1.00 17.36 O +ATOM 698 CB SER A 525 -9.862 2.069 26.036 1.00 17.79 C +ATOM 699 OG SER A 525 -9.327 3.199 26.656 1.00 19.52 O +ATOM 700 N ILE A 526 -10.520 3.088 23.173 1.00 19.00 N +ATOM 701 CA ILE A 526 -10.866 4.233 22.324 1.00 20.31 C +ATOM 702 C ILE A 526 -11.260 5.361 23.293 1.00 20.06 C +ATOM 703 O ILE A 526 -12.007 5.124 24.252 1.00 20.63 O +ATOM 704 CB ILE A 526 -12.057 3.895 21.404 1.00 21.00 C +ATOM 705 CG1 ILE A 526 -11.744 2.733 20.450 1.00 23.10 C +ATOM 706 CG2 ILE A 526 -12.517 5.136 20.607 1.00 21.68 C +ATOM 707 CD1 ILE A 526 -10.523 2.933 19.602 1.00 25.31 C +ATOM 708 N SER A 527 -10.768 6.575 23.043 1.00 20.21 N +ATOM 709 CA SER A 527 -11.074 7.727 23.889 1.00 21.13 C +ATOM 710 C SER A 527 -12.585 7.980 23.956 1.00 20.74 C +ATOM 711 O SER A 527 -13.286 7.917 22.955 1.00 21.46 O +ATOM 712 CB SER A 527 -10.357 8.980 23.368 1.00 21.40 C +ATOM 713 OG SER A 527 -10.625 10.104 24.211 1.00 23.46 O +ATOM 714 OXT SER A 527 -13.159 8.227 25.030 1.00 22.19 O +ATOM 716 N GLY D1003 6.258 13.877 21.281 1.00 37.61 N +ATOM 717 CA GLY D1003 5.046 14.634 20.852 1.00 37.02 C +ATOM 718 C GLY D1003 3.828 13.743 20.724 1.00 36.42 C +ATOM 719 O GLY D1003 2.704 14.185 20.935 1.00 36.36 O +ATOM 720 N ARG D1004 4.062 12.481 20.365 1.00 36.23 N +ATOM 721 CA ARG D1004 3.001 11.507 20.185 1.00 35.79 C +ATOM 722 C ARG D1004 2.122 11.346 21.443 1.00 35.43 C +ATOM 723 O ARG D1004 0.898 11.299 21.341 1.00 34.79 O +ATOM 724 CB ARG D1004 3.622 10.165 19.771 1.00 36.11 C +ATOM 725 CG ARG D1004 2.631 9.081 19.484 1.00 36.16 C +ATOM 726 CD ARG D1004 3.034 8.318 18.246 1.00 36.78 C +ATOM 727 NE ARG D1004 1.863 8.188 17.431 1.00 37.96 N +ATOM 728 CZ ARG D1004 1.822 7.974 16.129 1.00 34.21 C +ATOM 729 NH1 ARG D1004 2.926 7.833 15.378 1.00 30.41 N +ATOM 730 NH2 ARG D1004 0.626 7.908 15.593 1.00 32.61 N +ATOM 731 N PHE D1005 2.757 11.278 22.612 1.00 35.67 N +ATOM 732 CA PHE D1005 2.081 10.835 23.844 1.00 36.06 C +ATOM 733 C PHE D1005 1.902 11.919 24.893 1.00 37.24 C +ATOM 734 O PHE D1005 2.764 12.784 25.066 1.00 37.28 O +ATOM 735 CB PHE D1005 2.817 9.638 24.472 1.00 35.54 C +ATOM 736 CG PHE D1005 3.160 8.558 23.487 1.00 33.19 C +ATOM 737 CD1 PHE D1005 2.185 7.684 23.034 1.00 31.32 C +ATOM 738 CD2 PHE D1005 4.462 8.439 22.990 1.00 30.62 C +ATOM 739 CE1 PHE D1005 2.494 6.701 22.099 1.00 31.06 C +ATOM 740 CE2 PHE D1005 4.781 7.468 22.065 1.00 30.79 C +ATOM 741 CZ PHE D1005 3.801 6.587 21.616 1.00 32.30 C +ATOM 742 N GLN D1006 0.777 11.846 25.598 1.00 38.04 N +ATOM 743 CA GLN D1006 0.494 12.737 26.720 1.00 39.21 C +ATOM 744 C GLN D1006 -0.059 11.933 27.900 1.00 39.21 C +ATOM 745 O GLN D1006 -1.160 11.373 27.835 1.00 38.04 O +ATOM 746 CB GLN D1006 -0.452 13.871 26.307 1.00 39.30 C +ATOM 747 CG GLN D1006 -1.660 13.438 25.524 1.00 40.82 C +ATOM 748 CD GLN D1006 -2.461 14.604 24.981 1.00 41.20 C +ATOM 749 OE1 GLN D1006 -2.688 14.706 23.772 1.00 43.97 O +ATOM 750 NE2 GLN D1006 -2.893 15.492 25.871 1.00 43.80 N +ATOM 751 N VAL D1007 0.721 11.914 28.978 1.00 39.64 N +ATOM 752 CA VAL D1007 0.598 10.906 30.035 1.00 40.32 C +ATOM 753 C VAL D1007 -0.540 11.214 31.007 1.00 40.46 C +ATOM 754 O VAL D1007 -0.864 10.407 31.882 1.00 40.22 O +ATOM 755 CB VAL D1007 1.945 10.723 30.799 1.00 40.30 C +ATOM 756 CG1 VAL D1007 1.984 9.377 31.504 1.00 40.20 C +ATOM 757 CG2 VAL D1007 3.141 10.850 29.839 1.00 41.14 C Added: SwiftApps/modFTdock/input/indata/2v3s-2.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2v3s-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2v3s-2.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,772 @@ +ATOM 1 N GLY B 432 9.707 -28.559 -7.571 1.00 35.03 N +ATOM 2 CA GLY B 432 9.538 -29.724 -6.670 1.00 34.28 C +ATOM 3 C GLY B 432 9.634 -31.092 -7.308 1.00 33.60 C +ATOM 4 O GLY B 432 10.203 -31.234 -8.416 1.00 35.52 O +ATOM 5 N PRO B 433 9.089 -32.114 -6.625 1.00 32.41 N +ATOM 6 CA PRO B 433 8.369 -32.001 -5.333 1.00 30.47 C +ATOM 7 C PRO B 433 9.227 -31.446 -4.187 1.00 28.80 C +ATOM 8 O PRO B 433 10.372 -31.896 -3.987 1.00 27.57 O +ATOM 9 CB PRO B 433 7.977 -33.437 -5.035 1.00 31.18 C +ATOM 10 CG PRO B 433 8.948 -34.268 -5.811 1.00 32.15 C +ATOM 11 CD PRO B 433 9.138 -33.511 -7.080 1.00 33.03 C +ATOM 12 N ILE B 434 8.668 -30.461 -3.473 1.00 25.99 N +ATOM 13 CA ILE B 434 9.341 -29.729 -2.401 1.00 24.69 C +ATOM 14 C ILE B 434 8.869 -30.375 -1.100 1.00 23.57 C +ATOM 15 O ILE B 434 7.680 -30.621 -0.933 1.00 22.74 O +ATOM 16 CB ILE B 434 8.945 -28.209 -2.388 1.00 24.89 C +ATOM 17 CG1 ILE B 434 9.100 -27.578 -3.780 1.00 25.32 C +ATOM 18 CG2 ILE B 434 9.740 -27.424 -1.322 1.00 24.40 C +ATOM 19 CD1 ILE B 434 8.405 -26.229 -3.958 1.00 25.93 C +ATOM 20 N SER B 435 9.799 -30.641 -0.188 1.00 22.20 N +ATOM 21 CA SER B 435 9.465 -31.239 1.098 1.00 21.71 C +ATOM 22 C SER B 435 9.382 -30.088 2.094 1.00 20.28 C +ATOM 23 O SER B 435 10.378 -29.397 2.320 1.00 20.68 O +ATOM 24 CB SER B 435 10.542 -32.247 1.524 1.00 22.63 C +ATOM 25 OG SER B 435 10.504 -33.424 0.712 1.00 27.65 O +ATOM 26 N LEU B 436 8.179 -29.872 2.624 1.00 19.52 N +ATOM 27 CA LEU B 436 7.914 -28.764 3.591 1.00 18.53 C +ATOM 28 C LEU B 436 7.605 -29.275 4.987 1.00 18.09 C +ATOM 29 O LEU B 436 7.104 -30.378 5.177 1.00 18.17 O +ATOM 30 CB LEU B 436 6.753 -27.906 3.107 1.00 18.47 C +ATOM 31 CG LEU B 436 6.978 -27.197 1.772 1.00 17.81 C +ATOM 32 CD1 LEU B 436 5.739 -26.456 1.372 1.00 20.84 C +ATOM 33 CD2 LEU B 436 8.159 -26.236 1.905 1.00 21.35 C +ATOM 34 N VAL B 437 7.901 -28.447 5.977 1.00 17.67 N +ATOM 35 CA VAL B 437 7.472 -28.745 7.333 1.00 18.33 C +ATOM 36 C VAL B 437 6.877 -27.459 7.902 1.00 17.97 C +ATOM 37 O VAL B 437 7.527 -26.421 7.875 1.00 17.42 O +ATOM 38 CB VAL B 437 8.655 -29.220 8.207 1.00 19.46 C +ATOM 39 CG1 VAL B 437 8.167 -29.544 9.615 1.00 19.87 C +ATOM 40 CG2 VAL B 437 9.354 -30.418 7.559 1.00 20.05 C +ATOM 41 N LEU B 438 5.627 -27.559 8.350 1.00 18.29 N +ATOM 42 CA LEU B 438 4.932 -26.482 9.088 1.00 18.13 C +ATOM 43 C LEU B 438 4.949 -26.883 10.554 1.00 18.01 C +ATOM 44 O LEU B 438 4.447 -27.950 10.909 1.00 18.11 O +ATOM 45 CB LEU B 438 3.487 -26.329 8.604 1.00 18.52 C +ATOM 46 CG LEU B 438 2.607 -25.272 9.303 1.00 18.52 C +ATOM 47 CD1 LEU B 438 3.164 -23.874 9.010 1.00 17.09 C +ATOM 48 CD2 LEU B 438 1.112 -25.390 8.918 1.00 19.00 C +ATOM 49 N ARG B 439 5.509 -26.007 11.377 1.00 17.39 N +ATOM 50 CA ARG B 439 5.723 -26.263 12.765 1.00 17.70 C +ATOM 51 C ARG B 439 4.926 -25.228 13.578 1.00 17.42 C +ATOM 52 O ARG B 439 5.055 -24.009 13.382 1.00 15.78 O +ATOM 53 CB ARG B 439 7.211 -26.174 13.049 1.00 19.49 C +ATOM 54 CG ARG B 439 7.504 -25.871 14.450 1.00 23.29 C +ATOM 55 CD ARG B 439 7.937 -27.086 15.095 1.00 31.02 C +ATOM 56 NE ARG B 439 9.184 -26.862 15.809 1.00 33.63 N +ATOM 57 CZ ARG B 439 9.927 -27.851 16.284 1.00 36.55 C +ATOM 58 NH1 ARG B 439 9.545 -29.108 16.081 1.00 36.36 N +ATOM 59 NH2 ARG B 439 11.043 -27.587 16.947 1.00 38.28 N +ATOM 60 N LEU B 440 4.051 -25.736 14.439 1.00 16.81 N +ATOM 61 CA LEU B 440 3.209 -24.879 15.249 1.00 17.56 C +ATOM 62 C LEU B 440 2.595 -25.703 16.358 1.00 17.11 C +ATOM 63 O LEU B 440 2.675 -26.931 16.347 1.00 17.70 O +ATOM 64 CB LEU B 440 2.086 -24.201 14.458 1.00 17.02 C +ATOM 65 CG LEU B 440 1.198 -24.781 13.350 1.00 21.16 C +ATOM 66 CD1 LEU B 440 -0.155 -24.038 13.298 1.00 22.30 C +ATOM 67 CD2 LEU B 440 1.043 -26.250 13.331 1.00 23.06 C +ATOM 68 N ARG B 441 1.998 -25.006 17.304 1.00 17.41 N +ATOM 69 CA ARG B 441 1.347 -25.680 18.435 1.00 16.19 C +ATOM 70 C ARG B 441 -0.103 -26.043 18.145 1.00 16.77 C +ATOM 71 O ARG B 441 -0.894 -25.235 17.608 1.00 16.80 O +ATOM 72 CB ARG B 441 1.433 -24.826 19.698 1.00 17.01 C +ATOM 73 CG ARG B 441 2.854 -24.515 20.088 1.00 14.32 C +ATOM 74 CD ARG B 441 2.941 -23.765 21.398 1.00 13.89 C +ATOM 75 NE ARG B 441 4.352 -23.557 21.747 1.00 15.74 N +ATOM 76 CZ ARG B 441 5.059 -24.383 22.515 1.00 18.62 C +ATOM 77 NH1 ARG B 441 4.479 -25.480 22.999 1.00 16.68 N +ATOM 78 NH2 ARG B 441 6.344 -24.133 22.774 1.00 19.41 N +ATOM 79 N ASN B 442 -0.459 -27.265 18.497 1.00 16.52 N +ATOM 80 CA ASN B 442 -1.870 -27.647 18.362 1.00 16.88 C +ATOM 81 C ASN B 442 -2.719 -26.967 19.467 1.00 17.43 C +ATOM 82 O ASN B 442 -2.190 -26.179 20.275 1.00 17.39 O +ATOM 83 CB ASN B 442 -2.010 -29.173 18.321 1.00 17.00 C +ATOM 84 CG ASN B 442 -1.689 -29.834 19.626 1.00 17.48 C +ATOM 85 OD1 ASN B 442 -1.544 -29.174 20.662 1.00 16.84 O +ATOM 86 ND2 ASN B 442 -1.587 -31.179 19.596 1.00 16.83 N +ATOM 87 N SER B 443 -4.017 -27.255 19.504 1.00 18.52 N +ATOM 88 CA SER B 443 -4.939 -26.603 20.439 1.00 18.65 C +ATOM 89 C SER B 443 -4.601 -26.949 21.894 1.00 18.51 C +ATOM 90 O SER B 443 -4.830 -26.156 22.816 1.00 19.50 O +ATOM 91 CB SER B 443 -6.369 -27.009 20.109 1.00 20.07 C +ATOM 92 OG SER B 443 -6.719 -26.627 18.782 1.00 18.38 O +ATOM 93 N LYS B 444 -4.020 -28.129 22.081 1.00 17.37 N +ATOM 94 CA LYS B 444 -3.554 -28.578 23.372 1.00 18.22 C +ATOM 95 C LYS B 444 -2.222 -27.910 23.789 1.00 18.09 C +ATOM 96 O LYS B 444 -1.747 -28.110 24.917 1.00 18.39 O +ATOM 97 CB LYS B 444 -3.395 -30.095 23.310 1.00 17.87 C +ATOM 98 CG LYS B 444 -3.340 -30.777 24.636 1.00 20.07 C +ATOM 99 CD LYS B 444 -3.245 -32.270 24.398 1.00 19.45 C +ATOM 100 CE LYS B 444 -2.943 -32.996 25.681 1.00 20.57 C +ATOM 101 NZ LYS B 444 -2.717 -34.416 25.353 1.00 21.44 N +ATOM 102 N LYS B 445 -1.642 -27.129 22.868 1.00 17.63 N +ATOM 103 CA LYS B 445 -0.394 -26.348 23.071 1.00 17.99 C +ATOM 104 C LYS B 445 0.855 -27.169 22.824 1.00 18.18 C +ATOM 105 O LYS B 445 1.979 -26.702 23.042 1.00 18.71 O +ATOM 106 CB LYS B 445 -0.344 -25.702 24.455 1.00 18.88 C +ATOM 107 CG LYS B 445 -1.517 -24.791 24.712 1.00 18.93 C +ATOM 108 CD LYS B 445 -1.377 -24.067 26.019 1.00 21.50 C +ATOM 109 CE LYS B 445 -2.615 -23.201 26.282 1.00 22.59 C +ATOM 110 NZ LYS B 445 -2.391 -22.355 27.498 1.00 27.79 N +ATOM 111 N GLU B 446 0.666 -28.388 22.339 1.00 17.31 N +ATOM 112 CA GLU B 446 1.803 -29.244 21.964 1.00 19.14 C +ATOM 113 C GLU B 446 2.453 -28.813 20.649 1.00 19.18 C +ATOM 114 O GLU B 446 1.758 -28.592 19.676 1.00 18.55 O +ATOM 115 CB GLU B 446 1.325 -30.685 21.812 1.00 18.88 C +ATOM 116 CG GLU B 446 0.757 -31.262 23.115 1.00 20.29 C +ATOM 117 CD GLU B 446 -0.007 -32.566 22.929 1.00 22.00 C +ATOM 118 OE1 GLU B 446 -0.568 -32.823 21.816 1.00 20.05 O +ATOM 119 OE2 GLU B 446 -0.051 -33.318 23.949 1.00 22.85 O +ATOM 120 N LEU B 447 3.783 -28.747 20.619 1.00 19.14 N +ATOM 121 CA LEU B 447 4.479 -28.425 19.387 1.00 20.18 C +ATOM 122 C LEU B 447 4.468 -29.623 18.418 1.00 20.30 C +ATOM 123 O LEU B 447 4.815 -30.772 18.794 1.00 20.07 O +ATOM 124 CB LEU B 447 5.906 -27.971 19.700 1.00 20.31 C +ATOM 125 CG LEU B 447 6.680 -27.090 18.730 1.00 23.49 C +ATOM 126 CD1 LEU B 447 6.055 -25.706 18.625 1.00 22.52 C +ATOM 127 CD2 LEU B 447 8.148 -27.012 19.213 1.00 23.53 C +ATOM 128 N ASN B 448 4.050 -29.354 17.186 1.00 20.29 N +ATOM 129 CA ASN B 448 4.000 -30.376 16.139 1.00 20.74 C +ATOM 130 C ASN B 448 4.776 -29.961 14.909 1.00 21.07 C +ATOM 131 O ASN B 448 4.862 -28.771 14.612 1.00 19.40 O +ATOM 132 CB ASN B 448 2.568 -30.661 15.681 1.00 21.25 C +ATOM 133 CG ASN B 448 1.715 -31.318 16.731 1.00 24.39 C +ATOM 134 OD1 ASN B 448 2.197 -32.092 17.579 1.00 27.08 O +ATOM 135 ND2 ASN B 448 0.420 -31.047 16.659 1.00 23.44 N +ATOM 136 N ASP B 449 5.343 -30.955 14.216 1.00 21.34 N +ATOM 137 CA ASP B 449 5.870 -30.776 12.856 1.00 22.66 C +ATOM 138 C ASP B 449 4.880 -31.451 11.939 1.00 22.23 C +ATOM 139 O ASP B 449 4.522 -32.612 12.150 1.00 22.56 O +ATOM 140 CB ASP B 449 7.249 -31.411 12.681 1.00 23.38 C +ATOM 141 CG ASP B 449 8.321 -30.676 13.442 1.00 24.72 C +ATOM 142 OD1 ASP B 449 8.544 -29.473 13.167 1.00 23.36 O +ATOM 143 OD2 ASP B 449 8.942 -31.315 14.317 1.00 30.34 O +ATOM 144 N ILE B 450 4.433 -30.709 10.931 1.00 21.50 N +ATOM 145 CA ILE B 450 3.476 -31.193 9.958 1.00 20.95 C +ATOM 146 C ILE B 450 4.212 -31.233 8.627 1.00 21.11 C +ATOM 147 O ILE B 450 4.560 -30.194 8.065 1.00 19.18 O +ATOM 148 CB ILE B 450 2.236 -30.269 9.855 1.00 21.28 C +ATOM 149 CG1 ILE B 450 1.555 -30.084 11.229 1.00 20.36 C +ATOM 150 CG2 ILE B 450 1.259 -30.773 8.768 1.00 19.94 C +ATOM 151 CD1 ILE B 450 0.515 -28.922 11.224 1.00 21.25 C +ATOM 152 N ARG B 451 4.464 -32.449 8.151 1.00 20.54 N +ATOM 153 CA ARG B 451 5.333 -32.676 7.004 1.00 21.61 C +ATOM 154 C ARG B 451 4.481 -33.026 5.807 1.00 21.00 C +ATOM 155 O ARG B 451 3.500 -33.759 5.920 1.00 21.00 O +ATOM 156 CB ARG B 451 6.328 -33.797 7.308 1.00 22.50 C +ATOM 157 CG ARG B 451 7.391 -33.384 8.305 1.00 25.37 C +ATOM 158 CD ARG B 451 8.200 -34.597 8.779 1.00 32.14 C +ATOM 159 NE ARG B 451 8.820 -34.343 10.077 1.00 36.42 N +ATOM 160 CZ ARG B 451 9.882 -33.566 10.267 1.00 38.06 C +ATOM 161 NH1 ARG B 451 10.459 -32.962 9.238 1.00 39.25 N +ATOM 162 NH2 ARG B 451 10.372 -33.397 11.489 1.00 40.18 N +ATOM 163 N PHE B 452 4.827 -32.439 4.670 1.00 20.88 N +ATOM 164 CA PHE B 452 4.083 -32.687 3.438 1.00 20.94 C +ATOM 165 C PHE B 452 4.891 -32.304 2.219 1.00 21.12 C +ATOM 166 O PHE B 452 5.812 -31.473 2.283 1.00 20.20 O +ATOM 167 CB PHE B 452 2.733 -31.949 3.433 1.00 20.53 C +ATOM 168 CG PHE B 452 2.845 -30.456 3.601 1.00 20.62 C +ATOM 169 CD1 PHE B 452 2.772 -29.609 2.489 1.00 21.46 C +ATOM 170 CD2 PHE B 452 2.977 -29.891 4.881 1.00 22.52 C +ATOM 171 CE1 PHE B 452 2.852 -28.220 2.645 1.00 21.48 C +ATOM 172 CE2 PHE B 452 3.051 -28.512 5.048 1.00 20.49 C +ATOM 173 CZ PHE B 452 2.993 -27.674 3.927 1.00 20.73 C +ATOM 174 N GLU B 453 4.555 -32.917 1.087 1.00 22.51 N +ATOM 175 CA GLU B 453 5.199 -32.522 -0.152 1.00 23.17 C +ATOM 176 C GLU B 453 4.311 -31.537 -0.910 1.00 22.31 C +ATOM 177 O GLU B 453 3.077 -31.639 -0.886 1.00 22.48 O +ATOM 178 CB GLU B 453 5.543 -33.747 -1.023 1.00 23.75 C +ATOM 179 CG GLU B 453 6.630 -33.430 -2.049 1.00 29.84 C +ATOM 180 CD GLU B 453 7.744 -34.478 -2.140 1.00 36.20 C +ATOM 181 OE1 GLU B 453 8.936 -34.099 -2.033 1.00 39.94 O +ATOM 182 OE2 GLU B 453 7.439 -35.670 -2.335 1.00 39.82 O +ATOM 183 N PHE B 454 4.960 -30.570 -1.545 1.00 21.77 N +ATOM 184 CA PHE B 454 4.279 -29.614 -2.412 1.00 21.41 C +ATOM 185 C PHE B 454 4.911 -29.733 -3.809 1.00 21.30 C +ATOM 186 O PHE B 454 6.128 -29.566 -3.970 1.00 21.71 O +ATOM 187 CB PHE B 454 4.439 -28.192 -1.870 1.00 21.36 C +ATOM 188 CG PHE B 454 3.603 -27.154 -2.597 1.00 22.02 C +ATOM 189 CD1 PHE B 454 2.410 -26.698 -2.035 1.00 21.81 C +ATOM 190 CD2 PHE B 454 4.011 -26.624 -3.832 1.00 21.96 C +ATOM 191 CE1 PHE B 454 1.619 -25.733 -2.679 1.00 22.74 C +ATOM 192 CE2 PHE B 454 3.219 -25.644 -4.510 1.00 22.00 C +ATOM 193 CZ PHE B 454 2.014 -25.208 -3.930 1.00 22.51 C +ATOM 194 N THR B 455 4.072 -30.004 -4.799 1.00 21.36 N +ATOM 195 CA THR B 455 4.539 -30.183 -6.168 1.00 21.20 C +ATOM 196 C THR B 455 4.089 -29.010 -7.039 1.00 20.67 C +ATOM 197 O THR B 455 2.908 -28.916 -7.366 1.00 20.21 O +ATOM 198 CB THR B 455 4.042 -31.521 -6.725 1.00 21.44 C +ATOM 199 OG1 THR B 455 4.554 -32.556 -5.890 1.00 21.31 O +ATOM 200 CG2 THR B 455 4.562 -31.740 -8.161 1.00 21.20 C +ATOM 201 N PRO B 456 5.032 -28.109 -7.390 1.00 20.77 N +ATOM 202 CA PRO B 456 4.717 -27.017 -8.299 1.00 21.34 C +ATOM 203 C PRO B 456 4.148 -27.552 -9.599 1.00 20.10 C +ATOM 204 O PRO B 456 4.579 -28.599 -10.093 1.00 19.69 O +ATOM 205 CB PRO B 456 6.067 -26.330 -8.525 1.00 21.61 C +ATOM 206 CG PRO B 456 6.800 -26.583 -7.227 1.00 22.63 C +ATOM 207 CD PRO B 456 6.425 -28.020 -6.910 1.00 22.05 C +ATOM 208 N GLY B 457 3.176 -26.821 -10.118 1.00 20.08 N +ATOM 209 CA GLY B 457 2.413 -27.248 -11.271 1.00 20.00 C +ATOM 210 C GLY B 457 1.179 -28.056 -10.930 1.00 19.67 C +ATOM 211 O GLY B 457 0.210 -28.022 -11.690 1.00 18.81 O +ATOM 212 N ARG B 458 1.189 -28.775 -9.793 1.00 18.66 N +ATOM 213 CA ARG B 458 0.031 -29.601 -9.385 1.00 19.98 C +ATOM 214 C ARG B 458 -0.725 -28.949 -8.232 1.00 19.42 C +ATOM 215 O ARG B 458 -1.959 -28.876 -8.237 1.00 19.20 O +ATOM 216 CB ARG B 458 0.469 -30.996 -8.957 1.00 19.67 C +ATOM 217 CG ARG B 458 -0.704 -31.964 -8.732 1.00 23.26 C +ATOM 218 CD ARG B 458 -0.281 -33.249 -8.015 1.00 22.72 C +ATOM 219 NE ARG B 458 0.948 -33.814 -8.557 1.00 31.21 N +ATOM 220 CZ ARG B 458 1.816 -34.533 -7.848 1.00 33.04 C +ATOM 221 NH1 ARG B 458 1.601 -34.777 -6.553 1.00 32.90 N +ATOM 222 NH2 ARG B 458 2.902 -35.000 -8.441 1.00 36.97 N +ATOM 223 N ASP B 459 0.038 -28.489 -7.252 1.00 18.87 N +ATOM 224 CA ASP B 459 -0.509 -27.898 -6.052 1.00 18.97 C +ATOM 225 C ASP B 459 -0.509 -26.372 -6.096 1.00 19.21 C +ATOM 226 O ASP B 459 0.307 -25.760 -6.776 1.00 19.37 O +ATOM 227 CB ASP B 459 0.307 -28.360 -4.857 1.00 19.88 C +ATOM 228 CG ASP B 459 0.216 -29.850 -4.642 1.00 20.34 C +ATOM 229 OD1 ASP B 459 -0.883 -30.426 -4.867 1.00 22.64 O +ATOM 230 OD2 ASP B 459 1.234 -30.426 -4.221 1.00 20.90 O +ATOM 231 N THR B 460 -1.421 -25.772 -5.338 1.00 18.42 N +ATOM 232 CA THR B 460 -1.435 -24.317 -5.168 1.00 18.57 C +ATOM 233 C THR B 460 -1.336 -23.995 -3.679 1.00 18.37 C +ATOM 234 O THR B 460 -1.755 -24.794 -2.830 1.00 16.89 O +ATOM 235 CB THR B 460 -2.711 -23.633 -5.735 1.00 19.43 C +ATOM 236 OG1 THR B 460 -3.864 -24.099 -5.014 1.00 19.84 O +ATOM 237 CG2 THR B 460 -2.882 -23.924 -7.258 1.00 18.57 C +ATOM 238 N ALA B 461 -0.809 -22.806 -3.397 1.00 17.91 N +ATOM 239 CA ALA B 461 -0.689 -22.337 -2.029 1.00 17.81 C +ATOM 240 C ALA B 461 -2.077 -22.264 -1.389 1.00 17.62 C +ATOM 241 O ALA B 461 -2.262 -22.731 -0.255 1.00 18.10 O +ATOM 242 CB ALA B 461 -0.013 -20.996 -1.996 1.00 17.42 C +ATOM 243 N GLU B 462 -3.044 -21.690 -2.118 1.00 18.54 N +ATOM 244 CA GLU B 462 -4.435 -21.618 -1.651 1.00 19.96 C +ATOM 245 C GLU B 462 -5.005 -23.006 -1.350 1.00 19.44 C +ATOM 246 O GLU B 462 -5.549 -23.248 -0.249 1.00 19.50 O +ATOM 247 CB GLU B 462 -5.295 -20.874 -2.684 1.00 21.38 C +ATOM 248 CG GLU B 462 -6.798 -21.161 -2.629 1.00 28.40 C +ATOM 249 CD GLU B 462 -7.520 -20.347 -1.578 1.00 34.59 C +ATOM 250 OE1 GLU B 462 -6.980 -19.296 -1.175 1.00 38.37 O +ATOM 251 OE2 GLU B 462 -8.641 -20.747 -1.167 1.00 34.91 O +ATOM 252 N GLY B 463 -4.856 -23.916 -2.321 1.00 17.59 N +ATOM 253 CA GLY B 463 -5.399 -25.281 -2.207 1.00 17.58 C +ATOM 254 C GLY B 463 -4.822 -25.984 -1.005 1.00 17.56 C +ATOM 255 O GLY B 463 -5.553 -26.594 -0.218 1.00 18.19 O +ATOM 256 N VAL B 464 -3.505 -25.894 -0.849 1.00 17.76 N +ATOM 257 CA VAL B 464 -2.841 -26.594 0.243 1.00 17.89 C +ATOM 258 C VAL B 464 -3.193 -25.971 1.607 1.00 17.60 C +ATOM 259 O VAL B 464 -3.375 -26.686 2.609 1.00 17.55 O +ATOM 260 CB VAL B 464 -1.308 -26.745 -0.001 1.00 17.75 C +ATOM 261 CG1 VAL B 464 -1.035 -27.608 -1.265 1.00 18.09 C +ATOM 262 CG2 VAL B 464 -0.630 -27.359 1.233 1.00 18.36 C +ATOM 263 N SER B 465 -3.337 -24.644 1.643 1.00 17.56 N +ATOM 264 CA SER B 465 -3.782 -23.956 2.868 1.00 18.51 C +ATOM 265 C SER B 465 -5.193 -24.455 3.239 1.00 18.52 C +ATOM 266 O SER B 465 -5.450 -24.792 4.384 1.00 17.77 O +ATOM 267 CB SER B 465 -3.713 -22.437 2.702 1.00 20.25 C +ATOM 268 OG SER B 465 -4.143 -21.724 3.878 1.00 22.41 O +ATOM 269 N GLN B 466 -6.069 -24.571 2.243 1.00 18.37 N +ATOM 270 CA GLN B 466 -7.415 -25.111 2.475 1.00 20.35 C +ATOM 271 C GLN B 466 -7.366 -26.552 2.980 1.00 20.06 C +ATOM 272 O GLN B 466 -8.122 -26.915 3.913 1.00 20.13 O +ATOM 273 CB GLN B 466 -8.286 -24.963 1.233 1.00 20.60 C +ATOM 274 CG GLN B 466 -8.595 -23.503 0.911 1.00 23.34 C +ATOM 275 CD GLN B 466 -9.729 -22.886 1.760 1.00 26.71 C +ATOM 276 OE1 GLN B 466 -10.083 -23.371 2.850 1.00 26.99 O +ATOM 277 NE2 GLN B 466 -10.288 -21.793 1.254 1.00 27.07 N +ATOM 278 N GLU B 467 -6.465 -27.363 2.406 1.00 19.70 N +ATOM 279 CA GLU B 467 -6.215 -28.709 2.923 1.00 19.75 C +ATOM 280 C GLU B 467 -5.872 -28.716 4.405 1.00 19.21 C +ATOM 281 O GLU B 467 -6.459 -29.513 5.156 1.00 20.07 O +ATOM 282 CB GLU B 467 -5.136 -29.432 2.135 1.00 20.06 C +ATOM 283 CG GLU B 467 -5.651 -29.916 0.778 1.00 21.76 C +ATOM 284 CD GLU B 467 -4.630 -30.771 0.053 1.00 21.63 C +ATOM 285 OE1 GLU B 467 -4.069 -31.698 0.667 1.00 25.22 O +ATOM 286 OE2 GLU B 467 -4.415 -30.510 -1.142 1.00 26.17 O +ATOM 287 N LEU B 468 -4.929 -27.855 4.812 1.00 18.01 N +ATOM 288 CA LEU B 468 -4.527 -27.766 6.232 1.00 17.80 C +ATOM 289 C LEU B 468 -5.742 -27.414 7.130 1.00 18.55 C +ATOM 290 O LEU B 468 -5.904 -27.949 8.240 1.00 18.38 O +ATOM 291 CB LEU B 468 -3.420 -26.702 6.397 1.00 17.50 C +ATOM 292 CG LEU B 468 -2.032 -27.136 5.886 1.00 17.53 C +ATOM 293 CD1 LEU B 468 -1.153 -25.922 5.646 1.00 18.06 C +ATOM 294 CD2 LEU B 468 -1.337 -28.060 6.908 1.00 20.10 C +ATOM 295 N ILE B 469 -6.569 -26.501 6.646 1.00 18.04 N +ATOM 296 CA ILE B 469 -7.734 -26.035 7.407 1.00 19.10 C +ATOM 297 C ILE B 469 -8.755 -27.164 7.536 1.00 19.88 C +ATOM 298 O ILE B 469 -9.213 -27.460 8.638 1.00 18.73 O +ATOM 299 CB ILE B 469 -8.333 -24.773 6.789 1.00 19.96 C +ATOM 300 CG1 ILE B 469 -7.343 -23.600 6.977 1.00 19.05 C +ATOM 301 CG2 ILE B 469 -9.689 -24.438 7.419 1.00 20.11 C +ATOM 302 CD1 ILE B 469 -7.566 -22.361 6.060 1.00 19.42 C +ATOM 303 N SER B 470 -9.076 -27.794 6.410 1.00 19.93 N +ATOM 304 CA SER B 470 -9.958 -28.975 6.406 1.00 21.22 C +ATOM 305 C SER B 470 -9.471 -30.086 7.360 1.00 21.95 C +ATOM 306 O SER B 470 -10.294 -30.714 8.047 1.00 23.42 O +ATOM 307 CB SER B 470 -10.119 -29.527 4.990 1.00 21.32 C +ATOM 308 OG SER B 470 -10.708 -28.575 4.121 1.00 22.04 O +ATOM 309 N ALA B 471 -8.160 -30.324 7.403 1.00 20.95 N +ATOM 310 CA ALA B 471 -7.534 -31.332 8.292 1.00 21.30 C +ATOM 311 C ALA B 471 -7.524 -30.914 9.771 1.00 21.43 C +ATOM 312 O ALA B 471 -7.073 -31.683 10.635 1.00 22.39 O +ATOM 313 CB ALA B 471 -6.122 -31.649 7.834 1.00 20.85 C +ATOM 314 N GLY B 472 -7.977 -29.693 10.043 1.00 21.68 N +ATOM 315 CA GLY B 472 -7.945 -29.127 11.403 1.00 22.13 C +ATOM 316 C GLY B 472 -6.550 -28.884 11.978 1.00 22.79 C +ATOM 317 O GLY B 472 -6.368 -28.894 13.202 1.00 23.62 O +ATOM 318 N LEU B 473 -5.567 -28.658 11.104 1.00 21.84 N +ATOM 319 CA LEU B 473 -4.188 -28.384 11.507 1.00 21.95 C +ATOM 320 C LEU B 473 -3.890 -26.873 11.561 1.00 21.61 C +ATOM 321 O LEU B 473 -2.918 -26.440 12.197 1.00 21.92 O +ATOM 322 CB LEU B 473 -3.205 -29.095 10.566 1.00 22.08 C +ATOM 323 CG LEU B 473 -3.328 -30.628 10.451 1.00 23.55 C +ATOM 324 CD1 LEU B 473 -2.485 -31.182 9.301 1.00 23.66 C +ATOM 325 CD2 LEU B 473 -2.933 -31.286 11.781 1.00 22.94 C +ATOM 326 N VAL B 474 -4.709 -26.097 10.852 1.00 21.15 N +ATOM 327 CA VAL B 474 -4.605 -24.629 10.799 1.00 21.13 C +ATOM 328 C VAL B 474 -6.008 -24.034 10.977 1.00 21.48 C +ATOM 329 O VAL B 474 -6.975 -24.565 10.437 1.00 20.33 O +ATOM 330 CB VAL B 474 -4.009 -24.205 9.432 1.00 21.19 C +ATOM 331 CG1 VAL B 474 -4.286 -22.744 9.098 1.00 21.24 C +ATOM 332 CG2 VAL B 474 -2.522 -24.549 9.377 1.00 21.08 C +ATOM 333 N ASP B 475 -6.087 -22.944 11.753 1.00 21.29 N +ATOM 334 CA ASP B 475 -7.297 -22.103 11.972 1.00 21.99 C +ATOM 335 C ASP B 475 -7.742 -21.506 10.634 1.00 21.68 C +ATOM 336 O ASP B 475 -6.920 -20.966 9.909 1.00 21.48 O +ATOM 337 CB ASP B 475 -6.890 -20.959 12.947 1.00 22.66 C +ATOM 338 CG ASP B 475 -8.052 -20.017 13.388 1.00 26.22 C +ATOM 339 OD1 ASP B 475 -7.752 -19.118 14.230 1.00 30.02 O +ATOM 340 OD2 ASP B 475 -9.213 -20.108 12.926 1.00 25.40 O +ATOM 341 N GLY B 476 -9.035 -21.582 10.306 1.00 22.35 N +ATOM 342 CA GLY B 476 -9.535 -20.953 9.067 1.00 22.19 C +ATOM 343 C GLY B 476 -9.274 -19.454 8.957 1.00 21.64 C +ATOM 344 O GLY B 476 -9.138 -18.890 7.843 1.00 22.08 O +ATOM 345 N ARG B 477 -9.161 -18.785 10.110 1.00 21.38 N +ATOM 346 CA ARG B 477 -8.834 -17.372 10.113 1.00 21.22 C +ATOM 347 C ARG B 477 -7.443 -17.093 9.519 1.00 20.62 C +ATOM 348 O ARG B 477 -7.154 -15.958 9.122 1.00 21.55 O +ATOM 349 CB ARG B 477 -8.904 -16.801 11.524 1.00 21.40 C +ATOM 350 CG ARG B 477 -10.297 -16.825 12.112 1.00 23.70 C +ATOM 351 CD ARG B 477 -10.299 -16.112 13.473 1.00 26.07 C +ATOM 352 NE ARG B 477 -9.639 -16.906 14.510 1.00 29.10 N +ATOM 353 CZ ARG B 477 -9.404 -16.472 15.747 1.00 30.73 C +ATOM 354 NH1 ARG B 477 -9.783 -15.250 16.107 1.00 32.87 N +ATOM 355 NH2 ARG B 477 -8.806 -17.258 16.627 1.00 31.82 N +ATOM 356 N ASP B 478 -6.595 -18.130 9.453 1.00 18.48 N +ATOM 357 CA ASP B 478 -5.226 -17.954 8.969 1.00 18.55 C +ATOM 358 C ASP B 478 -5.053 -18.364 7.514 1.00 17.99 C +ATOM 359 O ASP B 478 -3.933 -18.477 7.030 1.00 18.06 O +ATOM 360 CB ASP B 478 -4.246 -18.710 9.869 1.00 17.78 C +ATOM 361 CG ASP B 478 -4.206 -18.158 11.288 1.00 17.90 C +ATOM 362 OD1 ASP B 478 -4.275 -16.910 11.476 1.00 15.74 O +ATOM 363 OD2 ASP B 478 -4.111 -18.983 12.215 1.00 16.52 O +ATOM 364 N LEU B 479 -6.166 -18.561 6.808 1.00 18.80 N +ATOM 365 CA LEU B 479 -6.115 -18.942 5.374 1.00 19.47 C +ATOM 366 C LEU B 479 -5.163 -18.068 4.543 1.00 19.40 C +ATOM 367 O LEU B 479 -4.291 -18.589 3.839 1.00 18.78 O +ATOM 368 CB LEU B 479 -7.539 -18.936 4.766 1.00 19.81 C +ATOM 369 CG LEU B 479 -7.659 -19.058 3.236 1.00 19.27 C +ATOM 370 CD1 LEU B 479 -7.137 -20.428 2.773 1.00 21.46 C +ATOM 371 CD2 LEU B 479 -9.115 -18.875 2.811 1.00 21.69 C +ATOM 372 N VAL B 480 -5.332 -16.746 4.628 1.00 19.29 N +ATOM 373 CA VAL B 480 -4.606 -15.818 3.753 1.00 19.28 C +ATOM 374 C VAL B 480 -3.113 -15.803 4.087 1.00 18.98 C +ATOM 375 O VAL B 480 -2.279 -15.964 3.200 1.00 18.58 O +ATOM 376 CB VAL B 480 -5.251 -14.393 3.825 1.00 19.43 C +ATOM 377 CG1 VAL B 480 -4.419 -13.363 3.046 1.00 20.01 C +ATOM 378 CG2 VAL B 480 -6.685 -14.471 3.321 1.00 20.67 C +ATOM 379 N ILE B 481 -2.790 -15.678 5.378 1.00 17.66 N +ATOM 380 CA ILE B 481 -1.391 -15.611 5.794 1.00 18.32 C +ATOM 381 C ILE B 481 -0.643 -16.939 5.556 1.00 16.32 C +ATOM 382 O ILE B 481 0.508 -16.943 5.102 1.00 17.20 O +ATOM 383 CB ILE B 481 -1.219 -15.066 7.237 1.00 17.71 C +ATOM 384 CG1 ILE B 481 0.198 -14.490 7.395 1.00 19.56 C +ATOM 385 CG2 ILE B 481 -1.598 -16.123 8.283 1.00 17.67 C +ATOM 386 CD1 ILE B 481 0.392 -13.555 8.617 1.00 20.03 C +ATOM 387 N VAL B 482 -1.331 -18.050 5.777 1.00 16.12 N +ATOM 388 CA VAL B 482 -0.737 -19.359 5.462 1.00 16.04 C +ATOM 389 C VAL B 482 -0.465 -19.489 3.953 1.00 16.57 C +ATOM 390 O VAL B 482 0.672 -19.791 3.572 1.00 16.16 O +ATOM 391 CB VAL B 482 -1.541 -20.551 6.021 1.00 15.67 C +ATOM 392 CG1 VAL B 482 -0.987 -21.889 5.439 1.00 15.57 C +ATOM 393 CG2 VAL B 482 -1.471 -20.548 7.548 1.00 16.15 C +ATOM 394 N ALA B 483 -1.494 -19.244 3.129 1.00 17.04 N +ATOM 395 CA ALA B 483 -1.356 -19.247 1.655 1.00 17.79 C +ATOM 396 C ALA B 483 -0.212 -18.317 1.191 1.00 18.46 C +ATOM 397 O ALA B 483 0.625 -18.729 0.406 1.00 18.65 O +ATOM 398 CB ALA B 483 -2.691 -18.888 0.967 1.00 17.51 C +ATOM 399 N ALA B 484 -0.148 -17.094 1.726 1.00 17.80 N +ATOM 400 CA ALA B 484 0.905 -16.130 1.344 1.00 18.94 C +ATOM 401 C ALA B 484 2.307 -16.671 1.641 1.00 18.68 C +ATOM 402 O ALA B 484 3.257 -16.515 0.848 1.00 18.74 O +ATOM 403 CB ALA B 484 0.692 -14.830 2.085 1.00 19.26 C +ATOM 404 N ASN B 485 2.445 -17.319 2.794 1.00 18.08 N +ATOM 405 CA ASN B 485 3.753 -17.808 3.207 1.00 17.81 C +ATOM 406 C ASN B 485 4.162 -19.069 2.455 1.00 18.33 C +ATOM 407 O ASN B 485 5.350 -19.272 2.143 1.00 18.89 O +ATOM 408 CB ASN B 485 3.798 -17.971 4.719 1.00 17.34 C +ATOM 409 CG ASN B 485 4.043 -16.637 5.409 1.00 15.85 C +ATOM 410 OD1 ASN B 485 3.103 -15.891 5.707 1.00 18.48 O +ATOM 411 ND2 ASN B 485 5.309 -16.291 5.584 1.00 16.46 N +ATOM 412 N LEU B 486 3.176 -19.895 2.144 1.00 18.86 N +ATOM 413 CA LEU B 486 3.429 -21.104 1.355 1.00 19.78 C +ATOM 414 C LEU B 486 3.914 -20.692 -0.047 1.00 20.18 C +ATOM 415 O LEU B 486 4.876 -21.258 -0.590 1.00 20.13 O +ATOM 416 CB LEU B 486 2.163 -21.943 1.269 1.00 20.01 C +ATOM 417 CG LEU B 486 2.234 -23.389 1.731 1.00 24.72 C +ATOM 418 CD1 LEU B 486 0.921 -24.120 1.323 1.00 24.22 C +ATOM 419 CD2 LEU B 486 3.474 -24.107 1.171 1.00 25.03 C +ATOM 420 N GLN B 487 3.267 -19.674 -0.607 1.00 19.79 N +ATOM 421 CA GLN B 487 3.704 -19.107 -1.885 1.00 20.42 C +ATOM 422 C GLN B 487 5.146 -18.604 -1.834 1.00 20.82 C +ATOM 423 O GLN B 487 5.963 -18.926 -2.702 1.00 21.92 O +ATOM 424 CB GLN B 487 2.754 -17.999 -2.330 1.00 20.39 C +ATOM 425 CG GLN B 487 3.055 -17.492 -3.756 1.00 21.67 C +ATOM 426 CD GLN B 487 3.079 -18.613 -4.807 1.00 21.79 C +ATOM 427 OE1 GLN B 487 2.283 -19.561 -4.753 1.00 20.85 O +ATOM 428 NE2 GLN B 487 3.995 -18.501 -5.777 1.00 23.25 N +ATOM 429 N LYS B 488 5.459 -17.827 -0.801 1.00 21.73 N +ATOM 430 CA LYS B 488 6.795 -17.284 -0.563 1.00 24.24 C +ATOM 431 C LYS B 488 7.847 -18.406 -0.545 1.00 24.60 C +ATOM 432 O LYS B 488 8.879 -18.314 -1.205 1.00 24.74 O +ATOM 433 CB LYS B 488 6.773 -16.546 0.772 1.00 24.40 C +ATOM 434 CG LYS B 488 7.551 -15.255 0.835 1.00 29.29 C +ATOM 435 CD LYS B 488 7.131 -14.443 2.083 1.00 32.62 C +ATOM 436 CE LYS B 488 5.719 -13.854 1.961 1.00 34.28 C +ATOM 437 NZ LYS B 488 5.384 -12.922 3.097 1.00 34.39 N +ATOM 438 N ILE B 489 7.554 -19.477 0.185 1.00 26.13 N +ATOM 439 CA ILE B 489 8.449 -20.627 0.310 1.00 27.86 C +ATOM 440 C ILE B 489 8.666 -21.342 -1.027 1.00 28.31 C +ATOM 441 O ILE B 489 9.770 -21.791 -1.339 1.00 28.30 O +ATOM 442 CB ILE B 489 7.852 -21.635 1.296 1.00 29.15 C +ATOM 443 N VAL B 490 7.587 -21.451 -1.789 1.00 28.16 N +ATOM 444 CA VAL B 490 7.545 -22.235 -3.020 1.00 29.95 C +ATOM 445 C VAL B 490 8.284 -21.538 -4.169 1.00 31.15 C +ATOM 446 O VAL B 490 8.920 -22.197 -5.004 1.00 30.99 O +ATOM 447 CB VAL B 490 6.062 -22.558 -3.386 1.00 29.51 C +ATOM 448 CG1 VAL B 490 5.893 -22.866 -4.858 1.00 28.99 C +ATOM 449 CG2 VAL B 490 5.576 -23.689 -2.519 1.00 29.59 C +ATOM 450 N GLU B 491 8.222 -20.211 -4.200 1.00 32.63 N +ATOM 451 CA GLU B 491 8.804 -19.466 -5.311 1.00 35.35 C +ATOM 452 C GLU B 491 10.303 -19.184 -5.142 1.00 37.14 C +ATOM 453 O GLU B 491 10.956 -18.703 -6.069 1.00 37.25 O +ATOM 454 CB GLU B 491 8.003 -18.198 -5.604 1.00 35.48 C +ATOM 455 CG GLU B 491 7.939 -17.213 -4.456 1.00 35.32 C +ATOM 456 CD GLU B 491 6.847 -16.159 -4.628 1.00 35.46 C +ATOM 457 OE1 GLU B 491 6.918 -15.156 -3.897 1.00 35.84 O +ATOM 458 OE2 GLU B 491 5.923 -16.322 -5.463 1.00 33.99 O +ATOM 459 N GLU B 492 10.828 -19.491 -3.954 1.00 38.55 N +ATOM 460 CA GLU B 492 12.269 -19.472 -3.683 1.00 40.27 C +ATOM 461 C GLU B 492 12.569 -20.731 -2.844 1.00 40.78 C +ATOM 462 O GLU B 492 12.786 -20.647 -1.631 1.00 40.85 O +ATOM 463 CB GLU B 492 12.658 -18.171 -2.963 1.00 40.52 C +ATOM 464 CG GLU B 492 12.924 -18.321 -1.462 1.00 43.39 C +ATOM 465 CD GLU B 492 12.384 -17.191 -0.599 1.00 47.11 C +ATOM 466 OE1 GLU B 492 11.656 -17.507 0.378 1.00 47.97 O +ATOM 467 OE2 GLU B 492 12.701 -16.001 -0.866 1.00 48.78 O +ATOM 468 N PRO B 493 12.547 -21.914 -3.492 1.00 41.56 N +ATOM 469 CA PRO B 493 12.416 -23.188 -2.775 1.00 41.90 C +ATOM 470 C PRO B 493 13.710 -23.881 -2.334 1.00 42.23 C +ATOM 471 O PRO B 493 13.728 -25.113 -2.216 1.00 42.64 O +ATOM 472 CB PRO B 493 11.670 -24.067 -3.783 1.00 42.16 C +ATOM 473 CG PRO B 493 12.008 -23.478 -5.146 1.00 42.16 C +ATOM 474 CD PRO B 493 12.623 -22.117 -4.952 1.00 41.68 C +ATOM 475 N GLN B 494 14.757 -23.107 -2.048 1.00 42.13 N +ATOM 476 CA GLN B 494 16.051 -23.682 -1.673 1.00 42.25 C +ATOM 477 C GLN B 494 15.991 -24.286 -0.276 1.00 41.55 C +ATOM 478 O GLN B 494 15.352 -23.735 0.623 1.00 41.48 O +ATOM 479 CB GLN B 494 17.158 -22.624 -1.695 1.00 42.72 C +ATOM 480 CG GLN B 494 16.856 -21.379 -2.508 1.00 44.53 C +ATOM 481 CD GLN B 494 17.394 -20.137 -1.837 1.00 46.85 C +ATOM 482 OE1 GLN B 494 16.691 -19.132 -1.715 1.00 47.72 O +ATOM 483 NE2 GLN B 494 18.646 -20.203 -1.377 1.00 47.41 N +ATOM 484 N SER B 495 16.689 -25.401 -0.080 1.00 40.56 N +ATOM 485 CA SER B 495 16.707 -26.060 1.227 1.00 39.36 C +ATOM 486 C SER B 495 17.241 -25.141 2.349 1.00 38.37 C +ATOM 487 O SER B 495 17.896 -24.122 2.079 1.00 38.11 O +ATOM 488 CB SER B 495 17.429 -27.410 1.140 1.00 39.76 C +ATOM 489 OG SER B 495 16.738 -28.281 0.237 1.00 39.55 O +ATOM 490 N ASN B 496 16.886 -25.476 3.590 1.00 37.03 N +ATOM 491 CA ASN B 496 17.138 -24.639 4.777 1.00 35.84 C +ATOM 492 C ASN B 496 16.298 -23.350 4.892 1.00 34.86 C +ATOM 493 O ASN B 496 16.187 -22.777 5.980 1.00 35.42 O +ATOM 494 CB ASN B 496 18.634 -24.338 4.946 1.00 35.69 C +ATOM 495 CG ASN B 496 19.480 -25.595 4.945 1.00 36.21 C +ATOM 496 OD1 ASN B 496 19.164 -26.574 5.640 1.00 36.36 O +ATOM 497 ND2 ASN B 496 20.555 -25.587 4.155 1.00 33.39 N +ATOM 498 N ARG B 497 15.713 -22.901 3.783 1.00 33.35 N +ATOM 499 CA ARG B 497 14.859 -21.711 3.789 1.00 31.29 C +ATOM 500 C ARG B 497 13.714 -21.869 4.792 1.00 29.47 C +ATOM 501 O ARG B 497 13.157 -22.959 4.940 1.00 27.74 O +ATOM 502 CB ARG B 497 14.283 -21.438 2.402 1.00 32.44 C +ATOM 503 CG ARG B 497 13.874 -19.995 2.186 1.00 34.88 C +ATOM 504 CD ARG B 497 14.996 -19.183 1.531 1.00 40.63 C +ATOM 505 NE ARG B 497 14.857 -17.761 1.825 1.00 43.33 N +ATOM 506 CZ ARG B 497 15.160 -16.774 0.987 1.00 44.81 C +ATOM 507 NH1 ARG B 497 15.619 -17.035 -0.238 1.00 45.43 N +ATOM 508 NH2 ARG B 497 14.983 -15.517 1.376 1.00 46.36 N +ATOM 509 N SER B 498 13.393 -20.779 5.489 1.00 27.26 N +ATOM 510 CA SER B 498 12.338 -20.808 6.500 1.00 25.40 C +ATOM 511 C SER B 498 11.661 -19.448 6.578 1.00 24.14 C +ATOM 512 O SER B 498 12.275 -18.405 6.270 1.00 23.23 O +ATOM 513 CB SER B 498 12.909 -21.230 7.856 1.00 26.02 C +ATOM 514 OG SER B 498 11.931 -21.186 8.877 1.00 26.73 O +ATOM 515 N VAL B 499 10.383 -19.454 6.949 1.00 22.14 N +ATOM 516 CA VAL B 499 9.645 -18.202 7.190 1.00 21.85 C +ATOM 517 C VAL B 499 8.821 -18.397 8.465 1.00 21.94 C +ATOM 518 O VAL B 499 8.398 -19.521 8.764 1.00 20.66 O +ATOM 519 CB VAL B 499 8.718 -17.773 5.991 1.00 22.60 C +ATOM 520 CG1 VAL B 499 7.593 -18.770 5.746 1.00 22.26 C +ATOM 521 CG2 VAL B 499 9.536 -17.543 4.698 1.00 24.40 C +ATOM 522 N THR B 500 8.666 -17.317 9.236 1.00 21.00 N +ATOM 523 CA THR B 500 7.823 -17.368 10.432 1.00 20.13 C +ATOM 524 C THR B 500 6.738 -16.312 10.267 1.00 19.42 C +ATOM 525 O THR B 500 7.011 -15.203 9.777 1.00 18.10 O +ATOM 526 CB THR B 500 8.627 -17.135 11.720 1.00 20.85 C +ATOM 527 OG1 THR B 500 9.631 -18.158 11.850 1.00 22.30 O +ATOM 528 CG2 THR B 500 7.735 -17.200 12.949 1.00 20.98 C +ATOM 529 N PHE B 501 5.523 -16.649 10.673 1.00 18.15 N +ATOM 530 CA PHE B 501 4.423 -15.696 10.556 1.00 17.89 C +ATOM 531 C PHE B 501 3.451 -15.773 11.734 1.00 17.73 C +ATOM 532 O PHE B 501 3.429 -16.762 12.471 1.00 16.63 O +ATOM 533 CB PHE B 501 3.730 -15.897 9.203 1.00 17.68 C +ATOM 534 CG PHE B 501 3.211 -17.301 8.994 1.00 17.92 C +ATOM 535 CD1 PHE B 501 4.016 -18.292 8.363 1.00 17.62 C +ATOM 536 CD2 PHE B 501 1.925 -17.645 9.412 1.00 16.60 C +ATOM 537 CE1 PHE B 501 3.520 -19.582 8.182 1.00 17.31 C +ATOM 538 CE2 PHE B 501 1.428 -18.945 9.219 1.00 18.18 C +ATOM 539 CZ PHE B 501 2.221 -19.909 8.610 1.00 16.99 C +ATOM 540 N LYS B 502 2.679 -14.703 11.915 1.00 17.15 N +ATOM 541 CA LYS B 502 1.728 -14.583 13.021 1.00 17.36 C +ATOM 542 C LYS B 502 0.451 -15.381 12.769 1.00 17.37 C +ATOM 543 O LYS B 502 -0.003 -15.466 11.629 1.00 16.73 O +ATOM 544 CB LYS B 502 1.351 -13.109 13.164 1.00 17.10 C +ATOM 545 CG LYS B 502 2.541 -12.227 13.516 1.00 21.05 C +ATOM 546 CD LYS B 502 2.092 -10.776 13.672 1.00 26.31 C +ATOM 547 CE LYS B 502 3.264 -9.839 13.963 1.00 28.44 C +ATOM 548 NZ LYS B 502 2.821 -8.399 13.862 1.00 30.39 N +ATOM 549 N LEU B 503 -0.148 -15.871 13.857 1.00 16.68 N +ATOM 550 CA LEU B 503 -1.434 -16.549 13.833 1.00 17.61 C +ATOM 551 C LEU B 503 -2.518 -15.681 14.478 1.00 18.22 C +ATOM 552 O LEU B 503 -2.258 -15.014 15.500 1.00 19.00 O +ATOM 553 CB LEU B 503 -1.320 -17.845 14.623 1.00 17.58 C +ATOM 554 CG LEU B 503 -0.216 -18.800 14.119 1.00 16.20 C +ATOM 555 CD1 LEU B 503 -0.178 -20.084 14.933 1.00 19.74 C +ATOM 556 CD2 LEU B 503 -0.468 -19.113 12.645 1.00 17.41 C +ATOM 557 N ALA B 504 -3.726 -15.718 13.911 1.00 19.10 N +ATOM 558 CA ALA B 504 -4.856 -14.928 14.436 1.00 19.22 C +ATOM 559 C ALA B 504 -5.116 -15.117 15.931 1.00 19.59 C +ATOM 560 O ALA B 504 -5.480 -14.154 16.636 1.00 19.70 O +ATOM 561 CB ALA B 504 -6.133 -15.233 13.647 1.00 20.00 C +ATOM 562 N SER B 505 -4.935 -16.354 16.395 1.00 19.15 N +ATOM 563 CA SER B 505 -5.151 -16.738 17.802 1.00 19.38 C +ATOM 564 C SER B 505 -4.197 -16.037 18.787 1.00 20.14 C +ATOM 565 O SER B 505 -4.497 -15.949 19.990 1.00 19.72 O +ATOM 566 CB SER B 505 -5.026 -18.256 17.943 1.00 19.15 C +ATOM 567 OG SER B 505 -3.741 -18.717 17.614 1.00 20.00 O +ATOM 568 N GLY B 506 -3.070 -15.521 18.281 1.00 20.37 N +ATOM 569 CA GLY B 506 -2.018 -14.992 19.158 1.00 21.14 C +ATOM 570 C GLY B 506 -2.550 -13.960 20.151 1.00 20.90 C +ATOM 571 O GLY B 506 -2.293 -14.058 21.362 1.00 21.93 O +ATOM 572 N VAL B 507 -3.288 -12.981 19.633 1.00 20.25 N +ATOM 573 CA VAL B 507 -3.800 -11.869 20.454 1.00 21.14 C +ATOM 574 C VAL B 507 -5.038 -12.286 21.273 1.00 21.46 C +ATOM 575 O VAL B 507 -5.446 -11.595 22.219 1.00 19.94 O +ATOM 576 CB VAL B 507 -4.155 -10.638 19.571 1.00 21.45 C +ATOM 577 CG1 VAL B 507 -5.316 -10.965 18.584 1.00 21.99 C +ATOM 578 CG2 VAL B 507 -4.486 -9.426 20.451 1.00 20.75 C +ATOM 579 N GLU B 508 -5.610 -13.431 20.922 1.00 22.39 N +ATOM 580 CA GLU B 508 -6.901 -13.826 21.490 1.00 25.09 C +ATOM 581 C GLU B 508 -6.759 -14.711 22.707 1.00 25.61 C +ATOM 582 O GLU B 508 -7.576 -14.633 23.617 1.00 27.45 O +ATOM 583 CB GLU B 508 -7.790 -14.512 20.442 1.00 24.64 C +ATOM 584 CG GLU B 508 -8.238 -13.617 19.293 1.00 26.83 C +ATOM 585 CD GLU B 508 -9.151 -12.464 19.720 1.00 30.83 C +ATOM 586 OE1 GLU B 508 -10.239 -12.704 20.316 1.00 31.31 O +ATOM 587 OE2 GLU B 508 -8.789 -11.305 19.430 1.00 30.17 O +ATOM 588 N GLY B 509 -5.734 -15.568 22.713 1.00 26.67 N +ATOM 589 CA GLY B 509 -5.504 -16.486 23.812 1.00 26.43 C +ATOM 590 C GLY B 509 -4.919 -15.877 25.079 1.00 26.42 C +ATOM 591 O GLY B 509 -4.560 -14.682 25.123 1.00 27.55 O +ATOM 592 N SER B 510 -4.845 -16.700 26.119 1.00 24.64 N +ATOM 593 CA SER B 510 -4.302 -16.294 27.413 1.00 23.70 C +ATOM 594 C SER B 510 -2.774 -16.255 27.414 1.00 22.31 C +ATOM 595 O SER B 510 -2.167 -15.421 28.081 1.00 21.96 O +ATOM 596 CB SER B 510 -4.825 -17.228 28.523 1.00 23.89 C +ATOM 597 OG SER B 510 -4.091 -17.043 29.732 1.00 26.43 O +ATOM 598 N ASP B 511 -2.147 -17.188 26.700 1.00 21.98 N +ATOM 599 CA ASP B 511 -0.683 -17.222 26.619 1.00 21.75 C +ATOM 600 C ASP B 511 -0.171 -15.971 25.867 1.00 20.73 C +ATOM 601 O ASP B 511 -0.770 -15.551 24.862 1.00 20.71 O +ATOM 602 CB ASP B 511 -0.204 -18.509 25.904 1.00 21.02 C +ATOM 603 CG ASP B 511 -0.446 -19.783 26.727 1.00 23.93 C +ATOM 604 OD1 ASP B 511 -0.559 -19.720 27.989 1.00 24.18 O +ATOM 605 OD2 ASP B 511 -0.457 -20.863 26.107 1.00 25.38 O +ATOM 606 N ILE B 512 0.925 -15.387 26.358 1.00 20.44 N +ATOM 607 CA ILE B 512 1.549 -14.239 25.675 1.00 19.15 C +ATOM 608 C ILE B 512 2.225 -14.734 24.377 1.00 18.43 C +ATOM 609 O ILE B 512 3.023 -15.669 24.411 1.00 18.13 O +ATOM 610 CB ILE B 512 2.564 -13.529 26.594 1.00 19.01 C +ATOM 611 CG1 ILE B 512 1.853 -12.973 27.844 1.00 20.09 C +ATOM 612 CG2 ILE B 512 3.386 -12.492 25.815 1.00 19.65 C +ATOM 613 CD1 ILE B 512 2.832 -12.508 28.969 1.00 20.61 C +ATOM 614 N PRO B 513 1.907 -14.105 23.234 1.00 18.09 N +ATOM 615 CA PRO B 513 2.553 -14.537 21.987 1.00 17.91 C +ATOM 616 C PRO B 513 4.068 -14.304 22.059 1.00 17.78 C +ATOM 617 O PRO B 513 4.513 -13.334 22.685 1.00 16.44 O +ATOM 618 CB PRO B 513 1.930 -13.622 20.927 1.00 18.47 C +ATOM 619 CG PRO B 513 1.428 -12.412 21.701 1.00 20.35 C +ATOM 620 CD PRO B 513 0.984 -12.972 23.024 1.00 19.75 C +ATOM 621 N ASP B 514 4.829 -15.187 21.426 1.00 17.44 N +ATOM 622 CA ASP B 514 6.289 -15.176 21.507 1.00 18.30 C +ATOM 623 C ASP B 514 6.808 -16.006 20.338 1.00 18.60 C +ATOM 624 O ASP B 514 6.413 -17.158 20.162 1.00 18.61 O +ATOM 625 CB ASP B 514 6.715 -15.773 22.856 1.00 18.30 C +ATOM 626 CG ASP B 514 8.219 -15.767 23.072 1.00 21.25 C +ATOM 627 OD1 ASP B 514 8.945 -16.493 22.356 1.00 17.33 O +ATOM 628 OD2 ASP B 514 8.657 -15.061 24.020 1.00 27.69 O +ATOM 629 N ASP B 515 7.709 -15.412 19.561 1.00 18.72 N +ATOM 630 CA ASP B 515 8.178 -15.997 18.303 1.00 18.99 C +ATOM 631 C ASP B 515 8.967 -17.257 18.594 1.00 18.04 C +ATOM 632 O ASP B 515 8.718 -18.328 18.035 1.00 17.57 O +ATOM 633 CB ASP B 515 9.055 -14.959 17.584 1.00 20.95 C +ATOM 634 CG ASP B 515 9.864 -15.545 16.458 1.00 22.16 C +ATOM 635 OD1 ASP B 515 9.261 -15.955 15.454 1.00 29.11 O +ATOM 636 OD2 ASP B 515 11.116 -15.562 16.562 1.00 26.31 O +ATOM 637 N GLY B 516 9.899 -17.158 19.525 1.00 17.64 N +ATOM 638 CA GLY B 516 10.787 -18.283 19.658 1.00 18.20 C +ATOM 639 C GLY B 516 10.377 -19.443 20.556 1.00 18.60 C +ATOM 640 O GLY B 516 10.829 -20.560 20.299 1.00 17.56 O +ATOM 641 N LYS B 517 9.420 -19.288 21.468 1.00 18.32 N +ATOM 642 CA LYS B 517 8.239 -20.187 21.724 1.00 17.90 C +ATOM 643 C LYS B 517 7.197 -20.733 20.743 1.00 16.73 C +ATOM 644 O LYS B 517 6.490 -21.724 21.065 1.00 16.24 O +ATOM 645 CB LYS B 517 7.563 -19.754 23.043 1.00 18.38 C +ATOM 646 CG LYS B 517 8.575 -19.405 24.139 1.00 20.31 C +ATOM 647 CD LYS B 517 7.889 -18.623 25.249 1.00 24.07 C +ATOM 648 CE LYS B 517 8.873 -18.200 26.306 1.00 24.85 C +ATOM 649 NZ LYS B 517 8.160 -17.495 27.402 1.00 27.63 N +ATOM 650 N LEU B 518 7.080 -20.113 19.575 1.00 15.92 N +ATOM 651 CA LEU B 518 6.017 -20.458 18.641 1.00 15.08 C +ATOM 652 C LEU B 518 4.658 -20.473 19.368 1.00 15.45 C +ATOM 653 O LEU B 518 3.912 -21.437 19.310 1.00 14.64 O +ATOM 654 CB LEU B 518 6.311 -21.756 17.864 1.00 15.09 C +ATOM 655 CG LEU B 518 7.503 -21.610 16.889 1.00 15.52 C +ATOM 656 CD1 LEU B 518 7.757 -22.954 16.233 1.00 16.37 C +ATOM 657 CD2 LEU B 518 7.178 -20.530 15.841 1.00 15.89 C +ATOM 658 N ILE B 519 4.405 -19.410 20.130 1.00 14.37 N +ATOM 659 CA ILE B 519 3.083 -19.162 20.692 1.00 15.27 C +ATOM 660 C ILE B 519 2.520 -18.002 19.879 1.00 14.72 C +ATOM 661 O ILE B 519 3.097 -16.894 19.895 1.00 15.35 O +ATOM 662 CB ILE B 519 3.106 -18.809 22.216 1.00 14.56 C +ATOM 663 CG1 ILE B 519 3.674 -19.993 23.035 1.00 15.84 C +ATOM 664 CG2 ILE B 519 1.680 -18.497 22.675 1.00 16.11 C +ATOM 665 CD1 ILE B 519 3.984 -19.653 24.512 1.00 16.16 C +ATOM 666 N GLY B 520 1.440 -18.255 19.144 1.00 14.92 N +ATOM 667 CA GLY B 520 0.886 -17.240 18.251 1.00 15.71 C +ATOM 668 C GLY B 520 1.674 -16.988 16.971 1.00 15.81 C +ATOM 669 O GLY B 520 1.434 -16.013 16.276 1.00 16.39 O +ATOM 670 N PHE B 521 2.615 -17.885 16.662 1.00 15.60 N +ATOM 671 CA PHE B 521 3.383 -17.829 15.428 1.00 15.06 C +ATOM 672 C PHE B 521 3.515 -19.250 14.903 1.00 15.59 C +ATOM 673 O PHE B 521 3.472 -20.197 15.688 1.00 15.83 O +ATOM 674 CB PHE B 521 4.798 -17.331 15.702 1.00 15.14 C +ATOM 675 CG PHE B 521 4.875 -15.886 16.108 1.00 15.91 C +ATOM 676 CD1 PHE B 521 4.815 -15.531 17.475 1.00 16.18 C +ATOM 677 CD2 PHE B 521 5.026 -14.883 15.146 1.00 19.15 C +ATOM 678 CE1 PHE B 521 4.902 -14.205 17.873 1.00 17.76 C +ATOM 679 CE2 PHE B 521 5.093 -13.526 15.547 1.00 19.35 C +ATOM 680 CZ PHE B 521 5.032 -13.199 16.910 1.00 17.12 C +ATOM 681 N ALA B 522 3.676 -19.376 13.582 1.00 14.81 N +ATOM 682 CA ALA B 522 4.014 -20.675 12.972 1.00 15.63 C +ATOM 683 C ALA B 522 5.288 -20.539 12.151 1.00 16.38 C +ATOM 684 O ALA B 522 5.590 -19.451 11.646 1.00 16.31 O +ATOM 685 CB ALA B 522 2.866 -21.218 12.116 1.00 14.93 C +ATOM 686 N GLN B 523 6.022 -21.638 12.004 1.00 16.12 N +ATOM 687 CA GLN B 523 7.259 -21.640 11.212 1.00 17.16 C +ATOM 688 C GLN B 523 7.109 -22.614 10.035 1.00 17.41 C +ATOM 689 O GLN B 523 6.690 -23.756 10.232 1.00 18.24 O +ATOM 690 CB GLN B 523 8.434 -22.038 12.101 1.00 17.96 C +ATOM 691 CG GLN B 523 9.777 -21.906 11.425 1.00 21.05 C +ATOM 692 CD GLN B 523 10.910 -22.445 12.288 1.00 23.47 C +ATOM 693 OE1 GLN B 523 10.682 -23.103 13.303 1.00 23.15 O +ATOM 694 NE2 GLN B 523 12.144 -22.178 11.869 1.00 25.35 N +ATOM 695 N LEU B 524 7.421 -22.161 8.823 1.00 18.30 N +ATOM 696 CA LEU B 524 7.335 -23.014 7.616 1.00 17.44 C +ATOM 697 C LEU B 524 8.707 -23.090 6.962 1.00 18.32 C +ATOM 698 O LEU B 524 9.271 -22.050 6.640 1.00 17.26 O +ATOM 699 CB LEU B 524 6.351 -22.419 6.603 1.00 18.28 C +ATOM 700 CG LEU B 524 6.158 -23.174 5.274 1.00 18.79 C +ATOM 701 CD1 LEU B 524 5.229 -22.375 4.320 1.00 18.11 C +ATOM 702 CD2 LEU B 524 5.631 -24.591 5.496 1.00 18.21 C +ATOM 703 N SER B 525 9.195 -24.315 6.744 1.00 18.64 N +ATOM 704 CA SER B 525 10.580 -24.540 6.320 1.00 21.07 C +ATOM 705 C SER B 525 10.634 -25.595 5.205 1.00 22.27 C +ATOM 706 O SER B 525 9.786 -26.472 5.143 1.00 21.15 O +ATOM 707 CB SER B 525 11.387 -25.031 7.512 1.00 21.43 C +ATOM 708 OG SER B 525 11.287 -24.159 8.638 1.00 21.60 O +ATOM 709 N ILE B 526 11.642 -25.498 4.336 1.00 24.48 N +ATOM 710 CA ILE B 526 11.952 -26.564 3.386 1.00 26.62 C +ATOM 711 C ILE B 526 12.918 -27.535 4.062 1.00 28.70 C +ATOM 712 O ILE B 526 13.958 -27.109 4.566 1.00 28.79 O +ATOM 713 CB ILE B 526 12.629 -26.015 2.100 1.00 27.46 C +ATOM 714 CG1 ILE B 526 11.683 -25.083 1.360 1.00 28.98 C +ATOM 715 CG2 ILE B 526 13.034 -27.173 1.166 1.00 27.32 C +ATOM 716 CD1 ILE B 526 12.340 -23.900 0.755 1.00 31.50 C +ATOM 717 N SER B 527 12.585 -28.825 4.067 1.00 30.79 N +ATOM 718 CA SER B 527 13.522 -29.854 4.553 1.00 33.38 C +ATOM 719 C SER B 527 14.778 -29.830 3.673 1.00 34.09 C +ATOM 720 O SER B 527 15.902 -29.971 4.152 1.00 35.55 O +ATOM 721 CB SER B 527 12.891 -31.250 4.527 1.00 33.51 C +ATOM 722 OG SER B 527 11.718 -31.321 5.323 1.00 35.22 O +ATOM 723 OXT SER B 527 14.714 -29.631 2.443 1.00 34.99 O +ATOM 725 N GLY C1003 -4.374 -38.039 5.104 1.00 33.92 N +ATOM 726 CA GLY C1003 -4.226 -37.250 3.852 1.00 33.10 C +ATOM 727 C GLY C1003 -2.775 -37.022 3.484 1.00 32.03 C +ATOM 728 O GLY C1003 -1.945 -37.921 3.617 1.00 33.62 O +ATOM 729 N ARG C1004 -2.448 -35.813 3.028 1.00 30.45 N +ATOM 730 CA ARG C1004 -1.078 -35.536 2.604 1.00 28.49 C +ATOM 731 C ARG C1004 -0.137 -35.197 3.771 1.00 27.34 C +ATOM 732 O ARG C1004 1.081 -35.166 3.599 1.00 26.08 O +ATOM 733 CB ARG C1004 -1.036 -34.438 1.537 1.00 28.45 C +ATOM 734 CG ARG C1004 -1.018 -33.033 2.093 1.00 27.92 C +ATOM 735 CD ARG C1004 -0.404 -32.047 1.100 1.00 26.34 C +ATOM 736 NE ARG C1004 -1.326 -31.763 0.010 1.00 24.25 N +ATOM 737 CZ ARG C1004 -0.964 -31.467 -1.234 1.00 25.16 C +ATOM 738 NH1 ARG C1004 0.314 -31.442 -1.582 1.00 22.12 N +ATOM 739 NH2 ARG C1004 -1.894 -31.215 -2.136 1.00 24.86 N +ATOM 740 N PHE C1005 -0.714 -34.956 4.950 1.00 26.54 N +ATOM 741 CA PHE C1005 0.053 -34.460 6.083 1.00 26.32 C +ATOM 742 C PHE C1005 0.404 -35.560 7.054 1.00 27.26 C +ATOM 743 O PHE C1005 -0.445 -36.383 7.377 1.00 28.13 O +ATOM 744 CB PHE C1005 -0.733 -33.378 6.814 1.00 25.48 C +ATOM 745 CG PHE C1005 -1.220 -32.293 5.906 1.00 23.55 C +ATOM 746 CD1 PHE C1005 -2.587 -32.174 5.605 1.00 22.30 C +ATOM 747 CD2 PHE C1005 -0.303 -31.402 5.337 1.00 21.20 C +ATOM 748 CE1 PHE C1005 -3.044 -31.165 4.742 1.00 23.64 C +ATOM 749 CE2 PHE C1005 -0.749 -30.396 4.459 1.00 19.92 C +ATOM 750 CZ PHE C1005 -2.100 -30.283 4.155 1.00 21.73 C +ATOM 751 N GLN C1006 1.658 -35.552 7.493 1.00 28.15 N +ATOM 752 CA GLN C1006 2.146 -36.409 8.572 1.00 29.76 C +ATOM 753 C GLN C1006 2.476 -35.551 9.796 1.00 30.09 C +ATOM 754 O GLN C1006 3.381 -34.707 9.745 1.00 30.15 O +ATOM 755 CB GLN C1006 3.378 -37.193 8.127 1.00 29.94 C +ATOM 756 CG GLN C1006 3.094 -38.353 7.192 1.00 33.02 C +ATOM 757 CD GLN C1006 1.965 -39.240 7.686 1.00 35.46 C +ATOM 758 OE1 GLN C1006 0.969 -39.438 6.990 1.00 38.48 O +ATOM 759 NE2 GLN C1006 2.113 -39.771 8.899 1.00 37.01 N +ATOM 760 N VAL C1007 1.712 -35.770 10.871 1.00 30.97 N +ATOM 761 CA VAL C1007 1.924 -35.140 12.184 1.00 32.05 C +ATOM 762 C VAL C1007 2.224 -36.352 13.110 1.00 33.20 C +ATOM 763 O VAL C1007 1.443 -37.297 13.104 1.00 34.91 O +ATOM 764 CB VAL C1007 0.617 -34.451 12.689 1.00 32.12 C +ATOM 765 CG1 VAL C1007 -0.215 -33.882 11.542 1.00 30.72 C +ATOM 766 CG2 VAL C1007 0.911 -33.376 13.729 1.00 30.85 C +ATOM 767 N THR C1008 3.297 -36.369 13.905 1.00 34.53 N +ATOM 768 CA THR C1008 4.273 -35.305 14.121 1.00 33.96 C +ATOM 769 C THR C1008 5.672 -35.916 14.062 1.00 33.93 C +ATOM 770 O THR C1008 6.628 -35.289 13.597 1.00 34.05 O +ATOM 771 CB THR C1008 4.090 -34.622 15.528 1.00 34.51 C +ATOM 772 OG1 THR C1008 4.775 -33.374 15.548 1.00 32.91 O +ATOM 773 CG2 THR C1008 4.648 -35.477 16.667 1.00 33.41 C Added: SwiftApps/modFTdock/input/indata/2vc8-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2vc8-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2vc8-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,609 @@ +ATOM 1 N THR A 3 38.917 10.704 -0.096 1.00 52.46 N +ATOM 2 CA THR A 3 38.333 10.131 1.143 1.00 46.88 C +ATOM 3 C THR A 3 38.274 11.170 2.262 1.00 48.77 C +ATOM 4 O THR A 3 37.943 10.842 3.412 1.00 43.16 O +ATOM 5 CB THR A 3 39.130 8.919 1.628 1.00 49.20 C +ATOM 6 OG1 THR A 3 40.519 9.258 1.731 1.00 51.20 O +ATOM 7 CG2 THR A 3 38.946 7.757 0.672 1.00 50.61 C +ATOM 8 N ASP A 4 38.586 12.416 1.903 1.00 44.78 N +ATOM 9 CA ASP A 4 38.587 13.526 2.837 1.00 46.42 C +ATOM 10 C ASP A 4 37.217 13.780 3.485 1.00 37.69 C +ATOM 11 O ASP A 4 37.188 14.272 4.606 1.00 36.91 O +ATOM 12 CB ASP A 4 39.131 14.799 2.173 1.00 40.87 C +ATOM 13 CG ASP A 4 40.580 14.620 1.689 1.00 50.07 C +ATOM 14 OD1 ASP A 4 41.177 13.546 1.984 1.00 51.39 O +ATOM 15 OD2 ASP A 4 41.116 15.533 1.017 1.00 45.08 O +ATOM 16 N TRP A 5 36.111 13.418 2.824 1.00 28.79 N +ATOM 17 CA TRP A 5 34.741 13.645 3.414 1.00 26.22 C +ATOM 18 C TRP A 5 34.482 12.821 4.716 1.00 21.23 C +ATOM 19 O TRP A 5 33.557 13.138 5.529 1.00 21.83 O +ATOM 20 CB TRP A 5 33.637 13.325 2.395 1.00 32.59 C +ATOM 21 CG TRP A 5 33.722 13.990 0.991 1.00 30.43 C +ATOM 22 CD1 TRP A 5 33.813 13.341 -0.224 1.00 33.87 C +ATOM 23 CD2 TRP A 5 33.719 15.385 0.685 1.00 28.76 C +ATOM 24 NE1 TRP A 5 33.861 14.255 -1.249 1.00 33.52 N +ATOM 25 CE2 TRP A 5 33.802 15.516 -0.723 1.00 31.66 C +ATOM 26 CE3 TRP A 5 33.636 16.542 1.459 1.00 30.24 C +ATOM 27 CZ2 TRP A 5 33.841 16.765 -1.362 1.00 37.13 C +ATOM 28 CZ3 TRP A 5 33.671 17.791 0.816 1.00 36.18 C +ATOM 29 CH2 TRP A 5 33.767 17.888 -0.573 1.00 37.03 C +ATOM 30 N LEU A 6 35.268 11.771 4.953 1.00 24.55 N +ATOM 31 CA LEU A 6 35.020 10.842 6.064 1.00 21.27 C +ATOM 32 C LEU A 6 34.890 11.552 7.389 1.00 19.10 C +ATOM 33 O LEU A 6 35.751 12.351 7.733 1.00 23.76 O +ATOM 34 CB LEU A 6 36.091 9.766 6.120 1.00 24.44 C +ATOM 35 CG LEU A 6 35.906 8.640 7.150 1.00 27.80 C +ATOM 36 CD1 LEU A 6 34.693 7.695 6.826 1.00 29.32 C +ATOM 37 CD2 LEU A 6 37.177 7.834 7.298 1.00 32.85 C +ATOM 38 N GLY A 7 33.795 11.307 8.105 1.00 18.53 N +ATOM 39 CA GLY A 7 33.590 11.905 9.427 1.00 17.17 C +ATOM 40 C GLY A 7 32.885 13.271 9.422 1.00 17.84 C +ATOM 41 O GLY A 7 32.525 13.811 10.474 1.00 18.22 O +ATOM 42 N SER A 8 32.779 13.879 8.259 1.00 16.36 N +ATOM 43 CA ASER A 8 31.986 15.097 8.161 0.50 15.68 C +ATOM 44 CA BSER A 8 31.964 15.083 8.051 0.50 14.44 C +ATOM 45 C SER A 8 30.515 14.804 8.375 1.00 12.98 C +ATOM 46 O SER A 8 30.074 13.634 8.352 1.00 16.06 O +ATOM 47 CB ASER A 8 32.195 15.748 6.818 0.50 15.31 C +ATOM 48 CB BSER A 8 32.034 15.555 6.590 0.50 18.06 C +ATOM 49 OG ASER A 8 31.717 14.882 5.831 0.50 15.45 O +ATOM 50 OG BSER A 8 33.338 15.933 6.182 0.50 16.85 O +ATOM 51 N ILE A 9 29.755 15.847 8.625 1.00 13.31 N +ATOM 52 CA AILE A 9 28.311 15.732 8.508 0.50 14.07 C +ATOM 53 CA BILE A 9 28.319 15.808 8.545 0.50 14.91 C +ATOM 54 C ILE A 9 27.905 16.540 7.278 1.00 13.69 C +ATOM 55 O ILE A 9 28.336 17.655 7.106 1.00 13.40 O +ATOM 56 CB AILE A 9 27.541 16.276 9.749 0.50 13.27 C +ATOM 57 CB BILE A 9 27.729 16.593 9.736 0.50 16.66 C +ATOM 58 CG1AILE A 9 28.080 15.692 11.096 0.50 15.69 C +ATOM 59 CG1BILE A 9 28.304 16.082 11.064 0.50 19.48 C +ATOM 60 CG2AILE A 9 26.036 16.015 9.625 0.50 14.03 C +ATOM 61 CG2BILE A 9 26.197 16.525 9.702 0.50 15.11 C +ATOM 62 CD1AILE A 9 27.371 16.240 12.345 0.50 22.81 C +ATOM 63 CD1BILE A 9 28.122 14.640 11.178 0.50 20.75 C +ATOM 64 N VAL A 10 27.117 15.912 6.427 1.00 12.89 N +ATOM 65 CA VAL A 10 26.810 16.476 5.101 1.00 12.44 C +ATOM 66 C VAL A 10 25.324 16.415 4.797 1.00 12.18 C +ATOM 67 O VAL A 10 24.590 15.639 5.383 1.00 13.81 O +ATOM 68 CB VAL A 10 27.596 15.778 3.961 1.00 12.28 C +ATOM 69 CG1 VAL A 10 29.080 15.888 4.206 1.00 14.13 C +ATOM 70 CG2 VAL A 10 27.146 14.353 3.745 1.00 14.22 C +ATOM 71 N SER A 11 24.919 17.222 3.839 1.00 13.13 N +ATOM 72 CA SER A 11 23.630 17.139 3.211 1.00 13.40 C +ATOM 73 C SER A 11 23.925 16.793 1.745 1.00 11.22 C +ATOM 74 O SER A 11 24.686 17.498 1.121 1.00 18.57 O +ATOM 75 CB SER A 11 22.924 18.477 3.290 1.00 19.29 C +ATOM 76 OG SER A 11 21.706 18.421 2.599 1.00 21.19 O +ATOM 77 N AILE A 12 23.417 15.668 1.206 0.50 15.99 N +ATOM 78 N BILE A 12 23.198 15.780 1.289 0.50 16.93 N +ATOM 79 CA AILE A 12 23.657 15.156 -0.174 0.50 12.01 C +ATOM 80 CA BILE A 12 23.371 15.209 -0.051 0.50 18.49 C +ATOM 81 C AILE A 12 22.294 15.260 -0.935 0.50 13.29 C +ATOM 82 C BILE A 12 22.098 15.462 -0.830 0.50 12.14 C +ATOM 83 O AILE A 12 21.353 14.576 -0.534 0.50 11.89 O +ATOM 84 O BILE A 12 21.036 15.105 -0.366 0.50 13.41 O +ATOM 85 CB AILE A 12 24.086 13.671 -0.096 0.50 13.14 C +ATOM 86 CB BILE A 12 23.641 13.651 0.018 0.50 17.89 C +ATOM 87 CG1AILE A 12 25.506 13.528 0.482 0.50 14.72 C +ATOM 88 CG1BILE A 12 25.110 13.452 0.326 0.50 26.11 C +ATOM 89 CG2AILE A 12 24.066 12.958 -1.472 0.50 11.58 C +ATOM 90 CG2BILE A 12 23.251 12.914 -1.313 0.50 20.12 C +ATOM 91 CD1AILE A 12 25.926 12.085 0.654 0.50 14.05 C +ATOM 92 CD1BILE A 12 25.929 14.640 -0.199 0.50 20.59 C +ATOM 93 N ASN A 13 22.187 16.108 -1.989 1.00 15.34 N +ATOM 94 CA ASN A 13 21.023 16.216 -2.841 1.00 16.45 C +ATOM 95 C ASN A 13 21.220 15.259 -3.988 1.00 14.74 C +ATOM 96 O ASN A 13 22.198 15.360 -4.685 1.00 16.07 O +ATOM 97 CB ASN A 13 20.899 17.635 -3.356 1.00 16.73 C +ATOM 98 CG ASN A 13 19.567 17.916 -3.969 1.00 20.83 C +ATOM 99 OD1 ASN A 13 18.889 17.017 -4.496 1.00 20.72 O +ATOM 100 ND2 ASN A 13 19.186 19.186 -3.932 1.00 26.87 N +ATOM 101 N CYS A 14 20.296 14.338 -4.169 1.00 16.45 N +ATOM 102 CA ACYS A 14 20.423 13.359 -5.232 0.50 20.35 C +ATOM 103 CA BCYS A 14 20.393 13.331 -5.205 0.50 20.67 C +ATOM 104 C CYS A 14 19.499 13.663 -6.397 1.00 22.30 C +ATOM 105 O CYS A 14 19.331 12.828 -7.321 1.00 27.69 O +ATOM 106 CB ACYS A 14 20.233 11.964 -4.666 0.50 26.70 C +ATOM 107 CB BCYS A 14 20.049 11.983 -4.591 0.50 27.36 C +ATOM 108 SG ACYS A 14 21.795 11.223 -4.200 0.50 26.79 S +ATOM 109 SG BCYS A 14 21.132 11.543 -3.214 0.50 26.17 S +ATOM 110 N GLY A 15 18.965 14.865 -6.421 1.00 22.60 N +ATOM 111 CA GLY A 15 18.145 15.296 -7.576 1.00 24.77 C +ATOM 112 C GLY A 15 16.671 15.115 -7.302 1.00 24.32 C +ATOM 113 O GLY A 15 16.275 14.619 -6.247 1.00 24.73 O +ATOM 114 N ASP A 16 15.859 15.438 -8.307 1.00 24.89 N +ATOM 115 CA ASP A 16 14.425 15.535 -8.115 1.00 29.07 C +ATOM 116 C ASP A 16 13.804 14.276 -7.613 1.00 24.98 C +ATOM 117 O ASP A 16 12.837 14.347 -6.892 1.00 30.39 O +ATOM 118 CB ASP A 16 13.711 15.882 -9.432 1.00 37.68 C +ATOM 119 CG ASP A 16 14.043 17.262 -9.923 1.00 48.65 C +ATOM 120 OD1 ASP A 16 14.253 18.149 -9.068 1.00 56.17 O +ATOM 121 OD2 ASP A 16 14.086 17.454 -11.165 1.00 51.65 O +ATOM 122 N SER A 17 14.294 13.128 -8.084 1.00 24.15 N +ATOM 123 CA ASER A 17 13.610 11.862 -7.788 0.50 25.11 C +ATOM 124 CA BSER A 17 13.666 11.823 -7.822 0.50 24.54 C +ATOM 125 C SER A 17 13.814 11.296 -6.380 1.00 31.06 C +ATOM 126 O SER A 17 12.908 10.683 -5.824 1.00 42.96 O +ATOM 127 CB ASER A 17 13.968 10.802 -8.818 0.50 35.07 C +ATOM 128 CB BSER A 17 14.119 10.746 -8.855 0.50 31.69 C +ATOM 129 OG ASER A 17 13.196 10.985 -9.987 0.50 33.41 O +ATOM 130 OG BSER A 17 15.530 10.637 -9.132 0.50 20.99 O +ATOM 131 N LEU A 18 14.968 11.524 -5.764 1.00 22.72 N +ATOM 132 CA LEU A 18 15.233 11.035 -4.392 1.00 22.31 C +ATOM 133 C LEU A 18 15.361 12.108 -3.328 1.00 22.72 C +ATOM 134 O LEU A 18 15.208 11.816 -2.111 1.00 22.47 O +ATOM 135 CB LEU A 18 16.496 10.186 -4.353 1.00 23.59 C +ATOM 136 CG LEU A 18 16.411 8.792 -4.954 1.00 21.42 C +ATOM 137 CD1 LEU A 18 17.754 8.102 -4.790 1.00 28.00 C +ATOM 138 CD2 LEU A 18 15.335 8.020 -4.306 1.00 28.76 C +ATOM 139 N GLY A 19 15.695 13.318 -3.725 1.00 20.58 N +ATOM 140 CA GLY A 19 15.778 14.410 -2.756 1.00 19.08 C +ATOM 141 C GLY A 19 17.051 14.366 -1.900 1.00 17.85 C +ATOM 142 O GLY A 19 18.118 13.949 -2.357 1.00 18.16 O +ATOM 143 N VAL A 20 16.922 14.882 -0.668 1.00 17.17 N +ATOM 144 CA VAL A 20 18.054 15.311 0.106 1.00 15.83 C +ATOM 145 C VAL A 20 18.175 14.409 1.327 1.00 14.66 C +ATOM 146 O VAL A 20 17.155 14.076 1.999 1.00 16.67 O +ATOM 147 CB VAL A 20 17.914 16.768 0.518 1.00 17.96 C +ATOM 148 CG1 VAL A 20 19.041 17.233 1.412 1.00 20.82 C +ATOM 149 CG2 VAL A 20 17.854 17.633 -0.748 1.00 25.18 C +ATOM 150 N TYR A 21 19.394 13.975 1.624 1.00 13.57 N +ATOM 151 CA TYR A 21 19.724 13.140 2.788 1.00 12.84 C +ATOM 152 C TYR A 21 20.782 13.841 3.594 1.00 14.65 C +ATOM 153 O TYR A 21 21.741 14.372 2.998 1.00 15.78 O +ATOM 154 CB TYR A 21 20.201 11.754 2.327 1.00 13.32 C +ATOM 155 CG TYR A 21 19.131 11.021 1.581 1.00 14.78 C +ATOM 156 CD1 TYR A 21 18.885 11.326 0.252 1.00 16.95 C +ATOM 157 CD2 TYR A 21 18.310 10.112 2.206 1.00 16.00 C +ATOM 158 CE1 TYR A 21 17.878 10.767 -0.471 1.00 19.53 C +ATOM 159 CE2 TYR A 21 17.257 9.488 1.450 1.00 18.65 C +ATOM 160 CZ TYR A 21 17.066 9.894 0.153 1.00 20.40 C +ATOM 161 OH TYR A 21 16.044 9.312 -0.540 1.00 26.39 O +ATOM 162 N GLN A 22 20.645 13.829 4.914 1.00 14.01 N +ATOM 163 CA GLN A 22 21.638 14.455 5.749 1.00 13.98 C +ATOM 164 C GLN A 22 22.159 13.453 6.792 1.00 13.51 C +ATOM 165 O GLN A 22 21.400 12.654 7.310 1.00 15.98 O +ATOM 166 CB GLN A 22 21.089 15.677 6.484 1.00 18.66 C +ATOM 167 CG GLN A 22 20.369 16.643 5.574 1.00 23.25 C +ATOM 168 CD GLN A 22 20.163 18.013 6.174 1.00 34.58 C +ATOM 169 OE1 GLN A 22 19.975 18.150 7.373 1.00 40.56 O +ATOM 170 NE2 GLN A 22 20.154 19.029 5.326 1.00 47.52 N +ATOM 171 N GLY A 23 23.454 13.462 7.050 1.00 12.56 N +ATOM 172 CA GLY A 23 24.025 12.544 8.019 1.00 15.43 C +ATOM 173 C GLY A 23 25.499 12.593 8.118 1.00 14.22 C +ATOM 174 O GLY A 23 26.175 13.247 7.332 1.00 13.07 O +ATOM 175 N ARG A 24 26.027 11.906 9.094 1.00 15.96 N +ATOM 176 CA ARG A 24 27.437 11.679 9.171 1.00 12.67 C +ATOM 177 C ARG A 24 27.989 10.743 8.102 1.00 14.02 C +ATOM 178 O ARG A 24 27.437 9.666 7.891 1.00 16.28 O +ATOM 179 CB ARG A 24 27.701 11.126 10.574 1.00 19.66 C +ATOM 180 CG ARG A 24 29.154 10.743 10.789 1.00 23.67 C +ATOM 181 CD ARG A 24 29.930 11.716 11.465 1.00 27.63 C +ATOM 182 NE ARG A 24 29.403 12.003 12.798 1.00 37.46 N +ATOM 183 CZ ARG A 24 29.752 13.092 13.466 1.00 34.14 C +ATOM 184 NH1 ARG A 24 30.603 13.978 12.949 1.00 34.44 N +ATOM 185 NH2 ARG A 24 29.226 13.331 14.640 1.00 29.33 N +ATOM 186 N VAL A 25 29.099 11.129 7.488 1.00 14.89 N +ATOM 187 CA VAL A 25 29.801 10.309 6.498 1.00 15.20 C +ATOM 188 C VAL A 25 30.588 9.224 7.228 1.00 15.60 C +ATOM 189 O VAL A 25 31.596 9.524 7.918 1.00 18.84 O +ATOM 190 CB VAL A 25 30.723 11.120 5.570 1.00 15.98 C +ATOM 191 CG1 VAL A 25 31.430 10.217 4.585 1.00 17.25 C +ATOM 192 CG2 VAL A 25 29.874 12.178 4.832 1.00 16.27 C +ATOM 193 N SER A 26 30.084 8.001 7.132 1.00 15.59 N +ATOM 194 CA SER A 26 30.690 6.852 7.782 1.00 17.62 C +ATOM 195 C SER A 26 31.658 6.113 6.931 1.00 18.61 C +ATOM 196 O SER A 26 32.425 5.306 7.443 1.00 20.42 O +ATOM 197 CB SER A 26 29.609 5.888 8.235 1.00 21.73 C +ATOM 198 OG SER A 26 28.737 5.556 7.164 1.00 25.33 O +ATOM 199 N ALA A 27 31.544 6.289 5.633 1.00 17.83 N +ATOM 200 CA ALA A 27 32.435 5.600 4.692 1.00 17.19 C +ATOM 201 C ALA A 27 32.560 6.322 3.385 1.00 18.90 C +ATOM 202 O ALA A 27 31.613 6.993 2.956 1.00 19.22 O +ATOM 203 CB ALA A 27 32.000 4.058 4.495 1.00 20.12 C +ATOM 204 N VAL A 28 33.721 6.180 2.725 1.00 20.31 N +ATOM 205 CA VAL A 28 33.924 6.695 1.370 1.00 19.06 C +ATOM 206 C VAL A 28 34.673 5.604 0.608 1.00 24.81 C +ATOM 207 O VAL A 28 35.730 5.167 1.042 1.00 28.70 O +ATOM 208 CB VAL A 28 34.761 7.997 1.329 1.00 24.86 C +ATOM 209 CG1 VAL A 28 35.052 8.447 -0.109 1.00 33.74 C +ATOM 210 CG2 VAL A 28 34.104 9.115 2.113 1.00 22.84 C +ATOM 211 N ASP A 29 34.161 5.190 -0.532 1.00 21.82 N +ATOM 212 CA ASP A 29 34.806 4.152 -1.344 1.00 23.83 C +ATOM 213 C ASP A 29 35.348 4.799 -2.592 1.00 20.95 C +ATOM 214 O ASP A 29 34.568 5.185 -3.477 1.00 23.47 O +ATOM 215 CB ASP A 29 33.801 3.050 -1.683 1.00 24.99 C +ATOM 216 CG ASP A 29 34.418 1.940 -2.525 1.00 31.24 C +ATOM 217 OD1 ASP A 29 35.494 2.153 -3.099 1.00 31.48 O +ATOM 218 OD2 ASP A 29 33.780 0.877 -2.647 1.00 38.58 O +ATOM 219 N GLN A 30 36.670 4.936 -2.693 1.00 26.40 N +ATOM 220 CA GLN A 30 37.272 5.610 -3.859 1.00 30.94 C +ATOM 221 C GLN A 30 37.165 4.815 -5.157 1.00 32.51 C +ATOM 222 O GLN A 30 37.147 5.385 -6.241 1.00 43.46 O +ATOM 223 CB GLN A 30 38.743 5.952 -3.595 1.00 40.67 C +ATOM 224 CG GLN A 30 38.929 6.975 -2.507 1.00 46.73 C +ATOM 225 CD GLN A 30 40.368 7.465 -2.439 1.00 56.89 C +ATOM 226 OE1 GLN A 30 41.066 7.248 -1.442 1.00 66.37 O +ATOM 227 NE2 GLN A 30 40.828 8.111 -3.510 1.00 62.28 N +ATOM 228 N VAL A 31 37.059 3.503 -5.050 1.00 28.03 N +ATOM 229 CA VAL A 31 37.005 2.678 -6.255 1.00 28.74 C +ATOM 230 C VAL A 31 35.624 2.739 -6.880 1.00 31.06 C +ATOM 231 O VAL A 31 35.501 3.030 -8.056 1.00 30.82 O +ATOM 232 CB VAL A 31 37.363 1.228 -5.936 1.00 31.65 C +ATOM 233 CG1 VAL A 31 37.411 0.405 -7.250 1.00 33.95 C +ATOM 234 CG2 VAL A 31 38.691 1.156 -5.183 1.00 39.68 C +ATOM 235 N SER A 32 34.587 2.485 -6.091 1.00 33.12 N +ATOM 236 CA ASER A 32 33.211 2.557 -6.588 0.50 26.85 C +ATOM 237 CA BSER A 32 33.202 2.558 -6.569 0.50 26.64 C +ATOM 238 C SER A 32 32.692 4.006 -6.608 1.00 21.16 C +ATOM 239 O SER A 32 31.610 4.277 -7.117 1.00 26.88 O +ATOM 240 CB ASER A 32 32.300 1.676 -5.752 0.50 33.98 C +ATOM 241 CB BSER A 32 32.299 1.754 -5.659 0.50 31.93 C +ATOM 242 OG ASER A 32 32.671 0.311 -5.888 0.50 36.18 O +ATOM 243 OG BSER A 32 32.274 2.335 -4.374 0.50 34.61 O +ATOM 244 N GLN A 33 33.451 4.934 -6.046 1.00 20.62 N +ATOM 245 CA GLN A 33 33.084 6.331 -6.045 1.00 20.77 C +ATOM 246 C GLN A 33 31.763 6.547 -5.301 1.00 17.23 C +ATOM 247 O GLN A 33 30.807 7.158 -5.815 1.00 19.43 O +ATOM 248 CB GLN A 33 33.037 6.899 -7.466 1.00 22.01 C +ATOM 249 CG GLN A 33 34.402 6.883 -8.163 1.00 26.62 C +ATOM 250 CD GLN A 33 34.414 7.539 -9.558 1.00 27.57 C +ATOM 251 OE1 GLN A 33 33.464 7.442 -10.318 1.00 39.92 O +ATOM 252 NE2 GLN A 33 35.503 8.206 -9.869 1.00 36.61 N +ATOM 253 N THR A 34 31.720 6.063 -4.067 1.00 17.50 N +ATOM 254 CA THR A 34 30.524 6.193 -3.229 1.00 17.00 C +ATOM 255 C THR A 34 30.840 6.857 -1.898 1.00 15.28 C +ATOM 256 O THR A 34 31.961 6.878 -1.402 1.00 18.32 O +ATOM 257 CB THR A 34 29.856 4.828 -2.975 1.00 17.39 C +ATOM 258 OG1 THR A 34 30.714 4.047 -2.195 1.00 19.78 O +ATOM 259 CG2 THR A 34 29.532 4.065 -4.261 1.00 19.70 C +ATOM 260 N ILE A 35 29.774 7.313 -1.305 1.00 15.61 N +ATOM 261 CA AILE A 35 29.812 7.911 0.003 0.50 17.02 C +ATOM 262 CA BILE A 35 29.756 8.013 0.006 0.50 15.36 C +ATOM 263 C ILE A 35 28.629 7.383 0.839 1.00 14.27 C +ATOM 264 O ILE A 35 27.495 7.267 0.329 1.00 15.49 O +ATOM 265 CB AILE A 35 29.841 9.407 -0.157 0.50 17.07 C +ATOM 266 CB BILE A 35 29.491 9.543 -0.104 0.50 15.89 C +ATOM 267 CG1AILE A 35 30.036 10.111 1.183 0.50 18.08 C +ATOM 268 CG1BILE A 35 30.563 10.262 -0.940 0.50 18.52 C +ATOM 269 CG2AILE A 35 28.603 9.872 -0.930 0.50 20.63 C +ATOM 270 CG2BILE A 35 29.418 10.239 1.293 0.50 17.14 C +ATOM 271 CD1AILE A 35 30.273 11.600 1.011 0.50 20.27 C +ATOM 272 CD1BILE A 35 30.236 11.792 -1.203 0.50 19.10 C +ATOM 273 N SER A 36 28.928 6.974 2.067 1.00 14.96 N +ATOM 274 CA SER A 36 27.913 6.347 2.964 1.00 14.61 C +ATOM 275 C SER A 36 27.591 7.239 4.110 1.00 13.23 C +ATOM 276 O SER A 36 28.518 7.816 4.738 1.00 15.60 O +ATOM 277 CB SER A 36 28.441 5.013 3.497 1.00 16.30 C +ATOM 278 OG SER A 36 28.821 4.128 2.423 1.00 17.23 O +ATOM 279 N LEU A 37 26.300 7.368 4.410 1.00 13.73 N +ATOM 280 CA LEU A 37 25.805 8.116 5.568 1.00 13.89 C +ATOM 281 C LEU A 37 25.210 7.169 6.594 1.00 14.60 C +ATOM 282 O LEU A 37 24.502 6.248 6.271 1.00 15.77 O +ATOM 283 CB LEU A 37 24.721 9.108 5.175 1.00 15.10 C +ATOM 284 CG LEU A 37 25.067 10.142 4.096 1.00 14.18 C +ATOM 285 CD1 LEU A 37 23.916 11.079 3.941 1.00 16.07 C +ATOM 286 CD2 LEU A 37 26.450 10.843 4.371 1.00 15.05 C +ATOM 287 N THR A 38 25.561 7.397 7.855 1.00 15.40 N +ATOM 288 CA ATHR A 38 24.948 6.613 8.918 0.50 16.69 C +ATOM 289 CA BTHR A 38 24.974 6.675 8.984 0.50 15.87 C +ATOM 290 C THR A 38 23.749 7.370 9.519 1.00 17.57 C +ATOM 291 O THR A 38 23.741 8.587 9.658 1.00 19.03 O +ATOM 292 CB ATHR A 38 25.980 6.033 9.976 0.50 19.37 C +ATOM 293 CB BTHR A 38 25.941 6.505 10.153 0.50 16.08 C +ATOM 294 OG1ATHR A 38 25.303 5.664 11.205 0.50 17.05 O +ATOM 295 OG1BTHR A 38 26.368 7.776 10.671 0.50 25.65 O +ATOM 296 CG2ATHR A 38 27.118 7.000 10.245 0.50 17.06 C +ATOM 297 CG2BTHR A 38 27.067 5.706 9.685 0.50 17.22 C +ATOM 298 N ARG A 39 22.724 6.614 9.811 1.00 17.81 N +ATOM 299 CA AARG A 39 21.522 7.159 10.427 0.50 17.07 C +ATOM 300 CA BARG A 39 21.423 7.084 10.333 0.50 16.28 C +ATOM 301 C ARG A 39 21.033 8.434 9.729 1.00 18.99 C +ATOM 302 O ARG A 39 20.776 9.442 10.405 1.00 19.96 O +ATOM 303 CB AARG A 39 21.776 7.445 11.935 0.50 21.37 C +ATOM 304 CB BARG A 39 21.328 7.013 11.877 0.50 17.32 C +ATOM 305 CG AARG A 39 22.130 6.185 12.707 0.50 21.47 C +ATOM 306 CG BARG A 39 21.609 5.569 12.388 0.50 18.09 C +ATOM 307 CD AARG A 39 22.110 6.404 14.199 0.50 20.43 C +ATOM 308 CD BARG A 39 22.033 5.541 13.836 0.50 22.72 C +ATOM 309 NE AARG A 39 23.457 6.361 14.713 0.50 26.49 N +ATOM 310 NE BARG A 39 22.700 4.294 14.208 0.50 30.36 N +ATOM 311 CZ AARG A 39 24.175 7.400 15.134 0.50 29.04 C +ATOM 312 CZ BARG A 39 22.091 3.131 14.428 0.50 34.22 C +ATOM 313 NH1AARG A 39 23.705 8.668 15.126 0.50 20.10 N +ATOM 314 NH1BARG A 39 20.765 3.006 14.282 0.50 37.08 N +ATOM 315 NH2AARG A 39 25.401 7.148 15.564 0.50 24.57 N +ATOM 316 NH2BARG A 39 22.816 2.078 14.786 0.50 34.82 N +ATOM 317 N PRO A 40 20.941 8.433 8.406 1.00 17.63 N +ATOM 318 CA PRO A 40 20.592 9.659 7.764 1.00 16.24 C +ATOM 319 C PRO A 40 19.147 10.055 7.967 1.00 16.48 C +ATOM 320 O PRO A 40 18.299 9.229 8.301 1.00 20.02 O +ATOM 321 CB PRO A 40 20.806 9.357 6.272 1.00 18.16 C +ATOM 322 CG PRO A 40 20.615 7.950 6.189 1.00 19.30 C +ATOM 323 CD PRO A 40 21.092 7.312 7.474 1.00 19.42 C +ATOM 324 N PHE A 41 18.902 11.340 7.808 1.00 14.92 N +ATOM 325 CA PHE A 41 17.602 11.980 7.765 1.00 16.71 C +ATOM 326 C PHE A 41 17.267 12.310 6.301 1.00 16.81 C +ATOM 327 O PHE A 41 18.128 12.617 5.497 1.00 19.14 O +ATOM 328 CB PHE A 41 17.620 13.297 8.555 1.00 18.71 C +ATOM 329 CG PHE A 41 17.122 13.186 9.972 1.00 20.67 C +ATOM 330 CD1 PHE A 41 17.772 12.381 10.835 1.00 18.24 C +ATOM 331 CD2 PHE A 41 16.042 13.927 10.416 1.00 19.71 C +ATOM 332 CE1 PHE A 41 17.303 12.220 12.177 1.00 17.92 C +ATOM 333 CE2 PHE A 41 15.601 13.803 11.750 1.00 21.16 C +ATOM 334 CZ PHE A 41 16.244 12.951 12.598 1.00 19.25 C +ATOM 335 N HIS A 42 15.987 12.294 6.043 1.00 16.87 N +ATOM 336 CA HIS A 42 15.374 12.617 4.806 1.00 19.65 C +ATOM 337 C HIS A 42 13.967 13.183 5.122 1.00 23.43 C +ATOM 338 O HIS A 42 13.228 12.584 5.910 1.00 25.85 O +ATOM 339 CB HIS A 42 15.286 11.319 3.967 1.00 19.59 C +ATOM 340 CG HIS A 42 14.603 11.502 2.654 1.00 19.99 C +ATOM 341 ND1 HIS A 42 15.155 12.264 1.641 1.00 21.62 N +ATOM 342 CD2 HIS A 42 13.432 11.026 2.175 1.00 22.85 C +ATOM 343 CE1 HIS A 42 14.341 12.255 0.595 1.00 23.13 C +ATOM 344 NE2 HIS A 42 13.299 11.503 0.892 1.00 27.64 N +ATOM 345 N ASN A 43 13.646 14.362 4.595 1.00 25.28 N +ATOM 346 CA ASN A 43 12.341 15.056 4.775 1.00 24.36 C +ATOM 347 C ASN A 43 12.096 15.320 6.284 1.00 28.61 C +ATOM 348 O ASN A 43 10.960 15.214 6.735 1.00 35.19 O +ATOM 349 CB ASN A 43 11.196 14.225 4.143 1.00 33.01 C +ATOM 350 CG ASN A 43 11.405 13.982 2.645 1.00 41.19 C +ATOM 351 OD1 ASN A 43 10.760 13.100 2.019 1.00 41.18 O +ATOM 352 ND2 ASN A 43 12.334 14.734 2.070 1.00 38.00 N +ATOM 353 N GLY A 44 13.163 15.611 7.055 1.00 26.67 N +ATOM 354 CA GLY A 44 13.027 15.926 8.488 1.00 28.91 C +ATOM 355 C GLY A 44 12.774 14.738 9.353 1.00 28.54 C +ATOM 356 O GLY A 44 12.513 14.895 10.565 1.00 33.98 O +ATOM 357 N VAL A 45 12.862 13.515 8.800 1.00 25.61 N +ATOM 358 CA VAL A 45 12.747 12.353 9.647 1.00 26.27 C +ATOM 359 C VAL A 45 13.861 11.372 9.364 1.00 22.48 C +ATOM 360 O VAL A 45 14.445 11.333 8.273 1.00 22.88 O +ATOM 361 CB VAL A 45 11.386 11.678 9.476 1.00 29.90 C +ATOM 362 CG1 VAL A 45 10.232 12.717 9.594 1.00 32.10 C +ATOM 363 CG2 VAL A 45 11.313 10.988 8.188 1.00 30.42 C +ATOM 364 N LYS A 46 14.243 10.631 10.392 1.00 20.15 N +ATOM 365 CA LYS A 46 15.310 9.668 10.361 1.00 20.24 C +ATOM 366 C LYS A 46 14.848 8.571 9.462 1.00 18.92 C +ATOM 367 O LYS A 46 13.707 8.085 9.536 1.00 21.37 O +ATOM 368 CB LYS A 46 15.654 9.122 11.766 1.00 21.82 C +ATOM 369 CG LYS A 46 16.901 8.304 11.765 1.00 23.34 C +ATOM 370 CD LYS A 46 17.548 7.980 13.108 1.00 24.49 C +ATOM 371 CE LYS A 46 16.647 7.275 14.041 1.00 31.48 C +ATOM 372 NZ LYS A 46 16.350 5.924 13.567 1.00 38.46 N +ATOM 373 N CYS A 47 15.720 8.204 8.536 1.00 18.06 N +ATOM 374 CA ACYS A 47 15.445 7.072 7.668 0.80 18.79 C +ATOM 375 CA BCYS A 47 15.508 7.076 7.650 0.20 19.88 C +ATOM 376 C CYS A 47 15.292 5.822 8.492 1.00 20.10 C +ATOM 377 O CYS A 47 15.903 5.664 9.537 1.00 22.55 O +ATOM 378 CB ACYS A 47 16.561 6.868 6.621 0.80 17.73 C +ATOM 379 CB BCYS A 47 16.748 6.906 6.747 0.20 17.81 C +ATOM 380 SG ACYS A 47 16.723 8.248 5.538 0.80 21.06 S +ATOM 381 SG BCYS A 47 16.619 5.734 5.363 0.20 19.14 S +ATOM 382 N LEU A 48 14.511 4.875 7.976 1.00 19.48 N +ATOM 383 CA LEU A 48 14.386 3.574 8.648 1.00 21.55 C +ATOM 384 C LEU A 48 15.624 2.709 8.435 1.00 24.08 C +ATOM 385 O LEU A 48 16.005 1.932 9.283 1.00 28.97 O +ATOM 386 CB LEU A 48 13.128 2.781 8.205 1.00 27.37 C +ATOM 387 CG LEU A 48 11.815 3.582 8.188 1.00 35.42 C +ATOM 388 CD1 LEU A 48 10.646 2.733 7.660 1.00 38.97 C +ATOM 389 CD2 LEU A 48 11.495 4.141 9.585 1.00 35.62 C +ATOM 390 N VAL A 49 16.326 2.870 7.324 1.00 20.75 N +ATOM 391 CA VAL A 49 17.591 2.124 7.129 1.00 20.76 C +ATOM 392 C VAL A 49 18.770 2.833 7.781 1.00 17.41 C +ATOM 393 O VAL A 49 18.872 4.043 7.632 1.00 22.23 O +ATOM 394 CB VAL A 49 17.830 1.878 5.618 1.00 24.12 C +ATOM 395 CG1 VAL A 49 19.200 1.273 5.398 1.00 25.50 C +ATOM 396 CG2 VAL A 49 16.672 0.986 5.102 1.00 27.35 C +ATOM 397 N PRO A 50 19.657 2.110 8.494 1.00 18.73 N +ATOM 398 CA PRO A 50 20.703 2.760 9.296 1.00 20.25 C +ATOM 399 C PRO A 50 21.904 3.258 8.504 1.00 16.85 C +ATOM 400 O PRO A 50 22.712 3.988 9.044 1.00 19.29 O +ATOM 401 CB PRO A 50 21.108 1.687 10.348 1.00 22.72 C +ATOM 402 CG PRO A 50 20.809 0.450 9.676 1.00 22.75 C +ATOM 403 CD PRO A 50 19.581 0.678 8.852 1.00 21.13 C +ATOM 404 N GLU A 51 22.090 2.811 7.253 1.00 16.58 N +ATOM 405 CA AGLU A 51 23.218 3.235 6.420 0.50 18.16 C +ATOM 406 CA BGLU A 51 23.243 3.200 6.476 0.50 21.44 C +ATOM 407 C GLU A 51 22.770 3.296 5.029 1.00 16.05 C +ATOM 408 O GLU A 51 22.186 2.345 4.532 1.00 17.15 O +ATOM 409 CB AGLU A 51 24.414 2.308 6.439 0.50 14.13 C +ATOM 410 CB BGLU A 51 24.354 2.174 6.676 0.50 23.03 C +ATOM 411 CG AGLU A 51 25.622 2.913 5.713 0.50 16.40 C +ATOM 412 CG BGLU A 51 25.624 2.300 5.827 0.50 25.47 C +ATOM 413 CD AGLU A 51 26.723 1.918 5.365 0.50 21.85 C +ATOM 414 CD BGLU A 51 26.631 3.324 6.338 0.50 32.03 C +ATOM 415 OE1AGLU A 51 26.790 0.862 5.990 0.50 25.86 O +ATOM 416 OE1BGLU A 51 27.763 2.946 6.705 0.50 33.48 O +ATOM 417 OE2AGLU A 51 27.517 2.178 4.421 0.50 27.02 O +ATOM 418 OE2BGLU A 51 26.313 4.519 6.333 0.50 35.25 O +ATOM 419 N VAL A 52 23.015 4.427 4.383 1.00 13.67 N +ATOM 420 CA VAL A 52 22.656 4.569 2.954 1.00 15.62 C +ATOM 421 C VAL A 52 23.877 5.015 2.186 1.00 13.56 C +ATOM 422 O VAL A 52 24.580 5.919 2.659 1.00 15.06 O +ATOM 423 CB VAL A 52 21.475 5.556 2.737 1.00 16.41 C +ATOM 424 CG1 VAL A 52 21.144 5.630 1.193 1.00 19.86 C +ATOM 425 CG2 VAL A 52 20.212 5.165 3.525 1.00 20.58 C +ATOM 426 N THR A 53 24.107 4.373 1.040 1.00 15.13 N +ATOM 427 CA THR A 53 25.304 4.594 0.273 1.00 14.23 C +ATOM 428 C THR A 53 24.921 5.142 -1.118 1.00 13.05 C +ATOM 429 O THR A 53 24.063 4.564 -1.809 1.00 14.46 O +ATOM 430 CB THR A 53 26.122 3.327 0.166 1.00 14.77 C +ATOM 431 OG1 THR A 53 26.567 2.972 1.513 1.00 17.12 O +ATOM 432 CG2 THR A 53 27.292 3.461 -0.781 1.00 17.40 C +ATOM 433 N PHE A 54 25.556 6.264 -1.462 1.00 12.48 N +ATOM 434 CA PHE A 54 25.238 7.024 -2.666 1.00 14.19 C +ATOM 435 C PHE A 54 26.418 7.014 -3.598 1.00 14.96 C +ATOM 436 O PHE A 54 27.540 7.146 -3.147 1.00 16.15 O +ATOM 437 CB PHE A 54 24.947 8.479 -2.265 1.00 16.39 C +ATOM 438 CG PHE A 54 23.870 8.631 -1.213 1.00 20.12 C +ATOM 439 CD1 PHE A 54 24.147 8.572 0.164 1.00 19.92 C +ATOM 440 CD2 PHE A 54 22.606 8.808 -1.608 1.00 22.73 C +ATOM 441 CE1 PHE A 54 23.131 8.706 1.074 1.00 20.38 C +ATOM 442 CE2 PHE A 54 21.559 8.938 -0.678 1.00 20.12 C +ATOM 443 CZ PHE A 54 21.845 8.909 0.653 1.00 20.61 C +ATOM 444 N ARG A 55 26.170 6.957 -4.911 1.00 14.71 N +ATOM 445 CA ARG A 55 27.248 7.201 -5.864 1.00 16.29 C +ATOM 446 C ARG A 55 27.487 8.680 -5.984 1.00 16.22 C +ATOM 447 O ARG A 55 26.539 9.467 -6.175 1.00 14.97 O +ATOM 448 CB ARG A 55 26.904 6.603 -7.215 1.00 18.28 C +ATOM 449 CG ARG A 55 26.714 5.117 -7.267 1.00 25.30 C +ATOM 450 CD ARG A 55 26.534 4.595 -8.738 1.00 33.23 C +ATOM 451 NE ARG A 55 25.355 5.215 -9.350 1.00 45.94 N +ATOM 452 CZ ARG A 55 25.019 5.147 -10.639 1.00 47.70 C +ATOM 453 NH1 ARG A 55 25.746 4.456 -11.522 1.00 58.78 N +ATOM 454 NH2 ARG A 55 23.922 5.754 -11.041 1.00 49.68 N +ATOM 455 N ALA A 56 28.756 9.066 -6.004 1.00 16.67 N +ATOM 456 CA ALA A 56 29.102 10.486 -6.107 1.00 19.66 C +ATOM 457 C ALA A 56 28.530 11.121 -7.371 1.00 18.25 C +ATOM 458 O ALA A 56 28.099 12.254 -7.347 1.00 20.92 O +ATOM 459 CB ALA A 56 30.615 10.678 -6.090 1.00 22.66 C +ATOM 460 N GLY A 57 28.436 10.318 -8.413 1.00 19.99 N +ATOM 461 CA GLY A 57 27.904 10.746 -9.687 1.00 20.79 C +ATOM 462 C GLY A 57 26.442 11.021 -9.725 1.00 20.03 C +ATOM 463 O GLY A 57 25.924 11.609 -10.710 1.00 21.77 O +ATOM 464 N ASP A 58 25.732 10.615 -8.670 1.00 17.60 N +ATOM 465 CA ASP A 58 24.324 10.924 -8.521 1.00 15.95 C +ATOM 466 C ASP A 58 24.021 12.163 -7.696 1.00 16.44 C +ATOM 467 O ASP A 58 22.858 12.505 -7.528 1.00 19.48 O +ATOM 468 CB ASP A 58 23.556 9.726 -8.053 1.00 18.34 C +ATOM 469 CG ASP A 58 23.610 8.589 -9.035 1.00 20.39 C +ATOM 470 OD1 ASP A 58 23.725 8.859 -10.230 1.00 23.90 O +ATOM 471 OD2 ASP A 58 23.544 7.455 -8.632 1.00 20.28 O +ATOM 472 N ILE A 59 25.048 12.768 -7.103 1.00 14.85 N +ATOM 473 CA ILE A 59 24.857 13.886 -6.195 1.00 13.30 C +ATOM 474 C ILE A 59 24.897 15.174 -6.985 1.00 14.54 C +ATOM 475 O ILE A 59 25.860 15.429 -7.678 1.00 18.33 O +ATOM 476 CB ILE A 59 25.954 13.832 -5.110 1.00 15.10 C +ATOM 477 CG1 ILE A 59 25.873 12.521 -4.287 1.00 15.96 C +ATOM 478 CG2 ILE A 59 25.813 15.006 -4.228 1.00 16.76 C +ATOM 479 CD1 ILE A 59 27.039 12.307 -3.286 1.00 17.80 C +ATOM 480 N THR A 60 23.885 16.004 -6.809 1.00 14.86 N +ATOM 481 CA THR A 60 23.860 17.298 -7.456 1.00 15.30 C +ATOM 482 C THR A 60 24.429 18.415 -6.635 1.00 15.56 C +ATOM 483 O THR A 60 24.976 19.382 -7.137 1.00 17.85 O +ATOM 484 CB THR A 60 22.430 17.663 -7.895 1.00 16.50 C +ATOM 485 OG1 THR A 60 21.586 17.869 -6.744 1.00 18.86 O +ATOM 486 CG2 THR A 60 21.815 16.595 -8.818 1.00 18.70 C +ATOM 487 N GLU A 61 24.433 18.262 -5.299 1.00 14.29 N +ATOM 488 CA GLU A 61 25.011 19.227 -4.362 1.00 14.65 C +ATOM 489 C GLU A 61 25.392 18.524 -3.096 1.00 13.95 C +ATOM 490 O GLU A 61 24.591 17.754 -2.527 1.00 14.24 O +ATOM 491 CB GLU A 61 24.084 20.373 -3.998 1.00 18.34 C +ATOM 492 CG GLU A 61 24.712 21.454 -3.041 1.00 19.25 C +ATOM 493 CD GLU A 61 23.771 22.543 -2.607 1.00 22.02 C +ATOM 494 OE1 GLU A 61 22.547 22.456 -2.923 1.00 24.83 O +ATOM 495 OE2 GLU A 61 24.245 23.499 -1.912 1.00 21.09 O +ATOM 496 N LEU A 62 26.576 18.829 -2.591 1.00 14.88 N +ATOM 497 CA LEU A 62 27.013 18.299 -1.288 1.00 12.99 C +ATOM 498 C LEU A 62 27.232 19.535 -0.419 1.00 13.77 C +ATOM 499 O LEU A 62 28.020 20.401 -0.751 1.00 15.70 O +ATOM 500 CB LEU A 62 28.292 17.489 -1.427 1.00 14.91 C +ATOM 501 CG LEU A 62 28.846 16.814 -0.129 1.00 18.10 C +ATOM 502 CD1 LEU A 62 29.654 15.584 -0.530 1.00 26.96 C +ATOM 503 CD2 LEU A 62 29.654 17.779 0.735 1.00 26.16 C +ATOM 504 N LYS A 63 26.523 19.609 0.711 1.00 13.02 N +ATOM 505 CA ALYS A 63 26.747 20.700 1.660 0.50 15.22 C +ATOM 506 CA BLYS A 63 26.689 20.686 1.667 0.50 14.57 C +ATOM 507 C LYS A 63 27.434 20.127 2.861 1.00 13.06 C +ATOM 508 O LYS A 63 27.006 19.103 3.432 1.00 13.50 O +ATOM 509 CB ALYS A 63 25.497 21.432 2.095 0.50 13.90 C +ATOM 510 CB BLYS A 63 25.346 21.261 2.053 0.50 18.17 C +ATOM 511 CG ALYS A 63 24.478 21.768 1.040 0.50 16.38 C +ATOM 512 CG BLYS A 63 25.417 22.429 2.985 0.50 18.26 C +ATOM 513 CD ALYS A 63 23.319 22.482 1.705 0.50 23.32 C +ATOM 514 CD BLYS A 63 24.066 23.124 3.178 0.50 23.25 C +ATOM 515 CE ALYS A 63 22.076 22.484 0.848 0.50 27.65 C +ATOM 516 CE BLYS A 63 24.180 24.287 4.163 0.50 25.86 C +ATOM 517 NZ ALYS A 63 20.981 23.215 1.535 0.50 27.58 N +ATOM 518 NZ BLYS A 63 22.893 25.029 4.217 0.50 29.51 N +ATOM 519 N ILE A 64 28.491 20.808 3.275 1.00 11.97 N +ATOM 520 CA AILE A 64 29.255 20.408 4.453 0.50 11.30 C +ATOM 521 CA BILE A 64 29.245 20.401 4.459 0.50 11.54 C +ATOM 522 C ILE A 64 28.653 21.105 5.684 1.00 15.19 C +ATOM 523 O ILE A 64 28.842 22.315 5.862 1.00 16.71 O +ATOM 524 CB AILE A 64 30.755 20.768 4.275 0.50 13.34 C +ATOM 525 CB BILE A 64 30.751 20.732 4.311 0.50 14.67 C +ATOM 526 CG1AILE A 64 31.295 20.327 2.906 0.50 15.96 C +ATOM 527 CG1BILE A 64 31.428 19.931 3.175 0.50 14.11 C +ATOM 528 CG2AILE A 64 31.607 20.121 5.387 0.50 14.06 C +ATOM 529 CG2BILE A 64 31.483 20.492 5.654 0.50 19.49 C +ATOM 530 CD1AILE A 64 32.738 20.745 2.622 0.50 17.82 C +ATOM 531 CD1BILE A 64 30.908 18.483 2.964 0.50 19.90 C +ATOM 532 N LEU A 65 27.888 20.358 6.466 1.00 13.02 N +ATOM 533 CA LEU A 65 27.268 20.895 7.679 1.00 14.40 C +ATOM 534 C LEU A 65 28.259 20.978 8.855 1.00 16.46 C +ATOM 535 O LEU A 65 28.167 21.906 9.633 1.00 19.18 O +ATOM 536 CB LEU A 65 26.066 20.038 8.057 1.00 15.20 C +ATOM 537 CG LEU A 65 25.021 19.825 6.945 1.00 18.00 C +ATOM 538 CD1 LEU A 65 23.905 18.845 7.412 1.00 19.56 C +ATOM 539 CD2 LEU A 65 24.502 21.139 6.410 1.00 22.76 C +ATOM 540 N GLU A 66 29.179 20.035 8.918 1.00 14.57 N +ATOM 541 CA AGLU A 66 30.244 20.035 9.939 0.50 14.78 C +ATOM 542 CA BGLU A 66 30.248 20.075 9.921 0.50 17.06 C +ATOM 543 C GLU A 66 31.437 19.381 9.311 1.00 16.46 C +ATOM 544 O GLU A 66 31.305 18.313 8.701 1.00 15.27 O +ATOM 545 CB AGLU A 66 29.819 19.217 11.195 0.50 17.08 C +ATOM 546 CB BGLU A 66 29.852 19.345 11.230 0.50 25.64 C +ATOM 547 CG AGLU A 66 30.643 19.488 12.495 0.50 17.03 C +ATOM 548 CG BGLU A 66 28.423 19.573 11.778 0.50 26.33 C +ATOM 549 CD AGLU A 66 30.330 20.844 13.111 0.50 19.52 C +ATOM 550 CD BGLU A 66 28.283 20.687 12.782 0.50 37.01 C +ATOM 551 OE1AGLU A 66 29.139 21.210 13.172 0.50 26.89 O +ATOM 552 OE1BGLU A 66 29.256 21.432 13.042 0.50 41.20 O +ATOM 553 OE2AGLU A 66 31.269 21.559 13.535 0.50 22.72 O +ATOM 554 OE2BGLU A 66 27.160 20.802 13.316 0.50 36.94 O +ATOM 555 N ILE A 67 32.608 19.955 9.483 1.00 16.96 N +ATOM 556 CA ILE A 67 33.845 19.353 9.036 1.00 15.40 C +ATOM 557 C ILE A 67 34.238 18.180 9.899 1.00 16.87 C +ATOM 558 O ILE A 67 33.744 18.080 11.009 1.00 17.28 O +ATOM 559 CB ILE A 67 34.977 20.382 8.904 1.00 17.20 C +ATOM 560 CG1 ILE A 67 35.425 20.900 10.258 1.00 18.34 C +ATOM 561 CG2 ILE A 67 34.569 21.543 7.943 1.00 19.14 C +ATOM 562 CD1 ILE A 67 36.601 21.878 10.202 1.00 21.39 C +ATOM 563 N PRO A 68 35.107 17.298 9.393 1.00 16.30 N +ATOM 564 CA PRO A 68 35.553 16.224 10.251 1.00 16.01 C +ATOM 565 C PRO A 68 36.322 16.758 11.428 1.00 17.26 C +ATOM 566 O PRO A 68 37.075 17.718 11.296 1.00 18.61 O +ATOM 567 CB PRO A 68 36.489 15.432 9.356 1.00 17.52 C +ATOM 568 CG PRO A 68 36.050 15.741 7.981 1.00 17.05 C +ATOM 569 CD PRO A 68 35.766 17.196 8.060 1.00 18.22 C +ATOM 570 N GLY A 69 36.230 16.056 12.535 1.00 17.73 N +ATOM 571 CA GLY A 69 37.008 16.383 13.725 1.00 17.00 C +ATOM 572 C GLY A 69 38.389 15.838 13.557 1.00 20.71 C +ATOM 573 O GLY A 69 38.628 14.983 12.676 1.00 24.10 O +ATOM 574 N PRO A 70 39.294 16.259 14.446 1.00 22.93 N +ATOM 575 CA PRO A 70 40.725 16.008 14.306 1.00 25.21 C +ATOM 576 C PRO A 70 41.176 14.601 14.647 1.00 27.48 C +ATOM 577 O PRO A 70 42.354 14.263 14.397 1.00 34.56 O +ATOM 578 CB PRO A 70 41.352 17.022 15.282 1.00 26.10 C +ATOM 579 CG PRO A 70 40.301 17.257 16.280 1.00 23.89 C +ATOM 580 CD PRO A 70 38.966 17.116 15.588 1.00 19.77 C +ATOM 581 N GLY A 71 40.273 13.769 15.157 1.00 24.56 N +ATOM 582 CA GLY A 71 40.642 12.423 15.659 1.00 42.33 C +ATOM 583 C GLY A 71 40.383 11.299 14.669 1.00 47.79 C +ATOM 584 O GLY A 71 40.387 11.519 13.467 1.00 42.79 O +ATOM 585 N ASP A 72 40.149 10.089 15.161 1.00 51.18 N +ATOM 586 CA ASP A 72 39.931 8.966 14.259 1.00 53.94 C +ATOM 587 C ASP A 72 38.519 9.023 13.713 1.00 51.96 C +ATOM 588 O ASP A 72 37.540 8.884 14.455 1.00 54.18 O +ATOM 589 CB ASP A 72 40.156 7.607 14.919 1.00 57.94 C +ATOM 590 CG ASP A 72 39.915 6.459 13.950 1.00 64.80 C +ATOM 591 OD1 ASP A 72 40.776 6.231 13.073 1.00 71.68 O +ATOM 592 OD2 ASP A 72 38.857 5.800 14.043 1.00 68.13 O +ATOM 593 N ASN A 73 38.427 9.241 12.409 1.00 49.09 N +ATOM 594 CA ASN A 73 37.143 9.301 11.738 1.00 39.97 C +ATOM 595 C ASN A 73 36.830 7.970 11.040 1.00 49.70 C +ATOM 596 O ASN A 73 35.801 7.839 10.381 1.00 43.43 O +ATOM 597 CB ASN A 73 37.130 10.494 10.777 1.00 35.23 C +ATOM 598 CG ASN A 73 37.188 11.843 11.514 1.00 25.93 C +ATOM 599 OD1 ASN A 73 36.421 12.068 12.461 1.00 32.89 O +ATOM 600 ND2 ASN A 73 38.070 12.735 11.076 1.00 33.39 N +ATOM 601 N GLN A 74 37.734 6.994 11.175 1.00 54.02 N +ATOM 602 CA GLN A 74 37.484 5.632 10.712 1.00 59.07 C +ATOM 603 C GLN A 74 36.775 4.852 11.817 1.00 61.06 C +ATOM 604 O GLN A 74 35.578 4.593 11.732 1.00 63.29 O +ATOM 605 CB GLN A 74 38.795 4.927 10.338 1.00 62.88 C +ATOM 606 CG GLN A 74 39.530 5.507 9.123 1.00 67.65 C +ATOM 607 CD GLN A 74 38.925 5.090 7.790 1.00 67.58 C +ATOM 608 OE1 GLN A 74 37.839 4.506 7.735 1.00 70.43 O +ATOM 609 NE2 GLN A 74 39.626 5.400 6.703 1.00 67.27 N Added: SwiftApps/modFTdock/input/indata/2vp7-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2vp7-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2vp7-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,774 @@ +ATOM 1 N MET A 332 14.445 -4.139 26.006 1.00 40.36 N +ATOM 2 CA MET A 332 13.225 -4.123 25.142 1.00 40.40 C +ATOM 3 C MET A 332 13.460 -3.374 23.822 1.00 39.20 C +ATOM 4 O MET A 332 14.036 -2.284 23.811 1.00 38.95 O +ATOM 5 CB MET A 332 12.045 -3.512 25.913 1.00 40.68 C +ATOM 6 CG MET A 332 10.703 -3.502 25.183 1.00 44.22 C +ATOM 7 SD MET A 332 10.069 -5.136 24.732 1.00 51.56 S +ATOM 8 CE MET A 332 9.543 -5.820 26.310 1.00 50.23 C +ATOM 9 N GLY A 333 13.024 -3.979 22.715 1.00 38.41 N +ATOM 10 CA GLY A 333 13.129 -3.377 21.386 1.00 37.20 C +ATOM 11 C GLY A 333 14.505 -3.451 20.730 1.00 36.84 C +ATOM 12 O GLY A 333 14.839 -2.611 19.881 1.00 36.57 O +ATOM 13 N HIS A 334 15.303 -4.458 21.108 1.00 35.46 N +ATOM 14 CA HIS A 334 16.647 -4.652 20.539 1.00 34.78 C +ATOM 15 C HIS A 334 16.880 -6.069 19.982 1.00 34.49 C +ATOM 16 O HIS A 334 18.022 -6.445 19.692 1.00 32.28 O +ATOM 17 CB HIS A 334 17.741 -4.354 21.575 1.00 35.16 C +ATOM 18 CG HIS A 334 17.740 -2.948 22.093 1.00 36.02 C +ATOM 19 ND1 HIS A 334 17.998 -1.856 21.290 1.00 37.67 N +ATOM 20 CD2 HIS A 334 17.551 -2.461 23.343 1.00 38.59 C +ATOM 21 CE1 HIS A 334 17.950 -0.754 22.022 1.00 39.69 C +ATOM 22 NE2 HIS A 334 17.684 -1.095 23.272 1.00 38.12 N +ATOM 23 N SER A 335 15.808 -6.845 19.832 1.00 34.80 N +ATOM 24 CA SER A 335 15.932 -8.233 19.365 1.00 35.49 C +ATOM 25 C SER A 335 16.058 -8.325 17.841 1.00 36.03 C +ATOM 26 O SER A 335 15.910 -7.332 17.130 1.00 35.57 O +ATOM 27 CB SER A 335 14.746 -9.069 19.837 1.00 35.77 C +ATOM 28 OG SER A 335 13.599 -8.862 19.019 1.00 37.22 O +ATOM 29 N SER A 336 16.342 -9.525 17.348 1.00 36.25 N +ATOM 30 CA SER A 336 16.439 -9.754 15.911 1.00 37.63 C +ATOM 31 C SER A 336 15.047 -9.755 15.266 1.00 38.56 C +ATOM 32 O SER A 336 14.921 -9.627 14.048 1.00 38.65 O +ATOM 33 CB SER A 336 17.135 -11.091 15.644 1.00 37.26 C +ATOM 34 OG SER A 336 16.390 -12.144 16.229 1.00 37.72 O +ATOM 35 N SER A 337 14.012 -9.895 16.092 1.00 40.02 N +ATOM 36 CA SER A 337 12.637 -10.019 15.609 1.00 41.30 C +ATOM 37 C SER A 337 11.636 -9.149 16.392 1.00 42.04 C +ATOM 38 O SER A 337 10.592 -9.638 16.833 1.00 42.67 O +ATOM 39 CB SER A 337 12.211 -11.495 15.635 1.00 41.87 C +ATOM 40 OG SER A 337 12.333 -12.039 16.941 1.00 42.24 O +ATOM 41 N ASP A 338 11.960 -7.867 16.574 1.00 42.51 N +ATOM 42 CA ASP A 338 11.004 -6.911 17.156 1.00 43.03 C +ATOM 43 C ASP A 338 10.051 -6.396 16.083 1.00 42.86 C +ATOM 44 O ASP A 338 10.479 -6.108 14.968 1.00 43.08 O +ATOM 45 CB ASP A 338 11.708 -5.694 17.766 1.00 43.22 C +ATOM 46 CG ASP A 338 12.490 -6.015 19.024 1.00 44.62 C +ATOM 47 OD1 ASP A 338 11.994 -6.739 19.919 1.00 47.13 O +ATOM 48 OD2 ASP A 338 13.619 -5.505 19.123 1.00 46.02 O +ATOM 49 N PRO A 339 8.758 -6.251 16.424 1.00 42.69 N +ATOM 50 CA PRO A 339 7.892 -5.539 15.490 1.00 42.54 C +ATOM 51 C PRO A 339 8.194 -4.049 15.569 1.00 41.89 C +ATOM 52 O PRO A 339 8.814 -3.596 16.542 1.00 42.16 O +ATOM 53 CB PRO A 339 6.483 -5.825 16.018 1.00 42.92 C +ATOM 54 CG PRO A 339 6.661 -6.133 17.479 1.00 43.02 C +ATOM 55 CD PRO A 339 8.041 -6.717 17.627 1.00 42.92 C +ATOM 56 N VAL A 340 7.798 -3.296 14.549 1.00 40.99 N +ATOM 57 CA VAL A 340 7.799 -1.842 14.686 1.00 39.54 C +ATOM 58 C VAL A 340 6.662 -1.501 15.648 1.00 38.13 C +ATOM 59 O VAL A 340 5.528 -1.984 15.498 1.00 38.38 O +ATOM 60 CB VAL A 340 7.733 -1.104 13.324 1.00 40.16 C +ATOM 61 CG1 VAL A 340 6.690 -1.733 12.399 1.00 40.23 C +ATOM 62 CG2 VAL A 340 7.533 0.406 13.518 1.00 40.21 C +ATOM 63 N TYR A 341 6.993 -0.703 16.658 1.00 35.65 N +ATOM 64 CA TYR A 341 6.130 -0.531 17.802 1.00 33.63 C +ATOM 65 C TYR A 341 5.250 0.697 17.645 1.00 31.71 C +ATOM 66 O TYR A 341 5.729 1.748 17.232 1.00 32.46 O +ATOM 67 CB TYR A 341 6.947 -0.362 19.074 1.00 34.31 C +ATOM 68 CG TYR A 341 7.726 -1.581 19.509 1.00 34.87 C +ATOM 69 CD1 TYR A 341 7.124 -2.590 20.257 1.00 36.12 C +ATOM 70 CD2 TYR A 341 9.080 -1.708 19.188 1.00 36.35 C +ATOM 71 CE1 TYR A 341 7.861 -3.714 20.676 1.00 36.89 C +ATOM 72 CE2 TYR A 341 9.825 -2.819 19.595 1.00 35.60 C +ATOM 73 CZ TYR A 341 9.210 -3.812 20.341 1.00 36.43 C +ATOM 74 OH TYR A 341 9.953 -4.911 20.741 1.00 37.45 O +ATOM 75 N PRO A 342 3.970 0.571 18.010 1.00 29.66 N +ATOM 76 CA PRO A 342 3.089 1.717 17.992 1.00 28.07 C +ATOM 77 C PRO A 342 3.197 2.581 19.244 1.00 26.35 C +ATOM 78 O PRO A 342 3.396 2.081 20.358 1.00 26.24 O +ATOM 79 CB PRO A 342 1.706 1.074 17.900 1.00 27.92 C +ATOM 80 CG PRO A 342 1.857 -0.205 18.640 1.00 28.28 C +ATOM 81 CD PRO A 342 3.262 -0.660 18.429 1.00 29.45 C +ATOM 82 N CYS A 343 3.033 3.890 19.056 1.00 23.62 N +ATOM 83 CA CYS A 343 3.111 4.838 20.155 1.00 23.38 C +ATOM 84 C CYS A 343 1.905 4.674 21.054 1.00 24.07 C +ATOM 85 O CYS A 343 0.764 4.597 20.572 1.00 22.99 O +ATOM 86 CB CYS A 343 3.170 6.275 19.594 1.00 23.45 C +ATOM 87 SG CYS A 343 3.057 7.633 20.776 1.00 20.79 S +ATOM 88 N GLY A 344 2.156 4.603 22.358 1.00 24.40 N +ATOM 89 CA GLY A 344 1.097 4.479 23.376 1.00 26.53 C +ATOM 90 C GLY A 344 0.097 5.622 23.457 1.00 27.28 C +ATOM 91 O GLY A 344 -0.974 5.479 24.076 1.00 28.37 O +ATOM 92 N ILE A 345 0.427 6.755 22.825 1.00 26.65 N +ATOM 93 CA ILE A 345 -0.477 7.904 22.757 1.00 27.14 C +ATOM 94 C ILE A 345 -1.222 8.052 21.420 1.00 26.91 C +ATOM 95 O ILE A 345 -2.456 8.104 21.405 1.00 27.65 O +ATOM 96 CB ILE A 345 0.265 9.222 23.138 1.00 27.05 C +ATOM 97 CG1 ILE A 345 0.644 9.174 24.621 1.00 26.75 C +ATOM 98 CG2 ILE A 345 -0.608 10.447 22.872 1.00 26.64 C +ATOM 99 CD1 ILE A 345 1.726 10.195 25.021 1.00 27.80 C +ATOM 100 N CYS A 346 -0.490 8.131 20.311 1.00 26.11 N +ATOM 101 CA CYS A 346 -1.123 8.408 19.016 1.00 25.26 C +ATOM 102 C CYS A 346 -1.469 7.160 18.194 1.00 25.39 C +ATOM 103 O CYS A 346 -2.215 7.259 17.211 1.00 26.39 O +ATOM 104 CB CYS A 346 -0.259 9.377 18.187 1.00 25.34 C +ATOM 105 SG CYS A 346 1.214 8.649 17.536 1.00 20.90 S +ATOM 106 N THR A 347 -0.964 5.996 18.614 1.00 25.26 N +ATOM 107 CA THR A 347 -1.078 4.707 17.879 1.00 25.05 C +ATOM 108 C THR A 347 -0.223 4.544 16.605 1.00 24.61 C +ATOM 109 O THR A 347 -0.154 3.449 16.038 1.00 26.27 O +ATOM 110 CB THR A 347 -2.550 4.269 17.589 1.00 25.75 C +ATOM 111 OG1 THR A 347 -3.064 4.994 16.467 1.00 27.10 O +ATOM 112 CG2 THR A 347 -3.449 4.445 18.814 1.00 27.12 C +ATOM 113 N ASN A 348 0.460 5.606 16.166 1.00 23.99 N +ATOM 114 CA ASN A 348 1.254 5.550 14.945 1.00 24.02 C +ATOM 115 C ASN A 348 2.602 4.908 15.239 1.00 24.38 C +ATOM 116 O ASN A 348 3.071 4.931 16.395 1.00 24.07 O +ATOM 117 CB ASN A 348 1.425 6.954 14.363 1.00 23.40 C +ATOM 118 CG ASN A 348 0.103 7.582 13.997 1.00 24.56 C +ATOM 119 OD1 ASN A 348 -0.240 8.640 14.496 1.00 25.94 O +ATOM 120 ND2 ASN A 348 -0.673 6.895 13.176 1.00 25.23 N +ATOM 121 N GLU A 349 3.219 4.325 14.222 1.00 25.90 N +ATOM 122 CA GLU A 349 4.468 3.609 14.451 1.00 28.13 C +ATOM 123 C GLU A 349 5.546 4.577 14.944 1.00 27.43 C +ATOM 124 O GLU A 349 5.604 5.719 14.505 1.00 26.48 O +ATOM 125 CB GLU A 349 4.918 2.860 13.197 1.00 28.65 C +ATOM 126 CG GLU A 349 3.993 1.650 12.881 1.00 31.60 C +ATOM 127 CD GLU A 349 4.508 0.742 11.760 1.00 32.12 C +ATOM 128 OE1 GLU A 349 5.413 1.133 10.988 1.00 37.35 O +ATOM 129 OE2 GLU A 349 3.995 -0.389 11.656 1.00 39.29 O +ATOM 130 N VAL A 350 6.382 4.116 15.872 1.00 27.39 N +ATOM 131 CA VAL A 350 7.552 4.890 16.270 1.00 28.78 C +ATOM 132 C VAL A 350 8.710 4.437 15.378 1.00 30.19 C +ATOM 133 O VAL A 350 9.298 3.356 15.605 1.00 31.06 O +ATOM 134 CB VAL A 350 7.884 4.726 17.768 1.00 28.23 C +ATOM 135 CG1 VAL A 350 8.970 5.705 18.157 1.00 28.72 C +ATOM 136 CG2 VAL A 350 6.645 4.945 18.626 1.00 27.47 C +ATOM 137 N ASN A 351 8.997 5.246 14.357 1.00 31.43 N +ATOM 138 CA AASN A 351 9.966 4.838 13.340 0.50 32.42 C +ATOM 139 CA BASN A 351 9.974 4.932 13.299 0.50 32.21 C +ATOM 140 C ASN A 351 11.422 5.056 13.764 1.00 32.87 C +ATOM 141 O ASN A 351 11.705 5.705 14.779 1.00 32.39 O +ATOM 142 CB AASN A 351 9.641 5.445 11.959 0.50 32.52 C +ATOM 143 CB BASN A 351 9.777 5.853 12.081 0.50 32.11 C +ATOM 144 CG AASN A 351 9.929 6.934 11.877 0.50 33.63 C +ATOM 145 CG BASN A 351 8.411 5.699 11.419 0.50 32.52 C +ATOM 146 OD1AASN A 351 10.922 7.414 12.417 0.50 35.94 O +ATOM 147 OD1BASN A 351 7.904 6.641 10.798 0.50 32.84 O +ATOM 148 ND2AASN A 351 9.066 7.673 11.181 0.50 35.05 N +ATOM 149 ND2BASN A 351 7.818 4.515 11.532 0.50 33.16 N +ATOM 150 N ASP A 352 12.344 4.476 12.996 1.00 34.36 N +ATOM 151 CA ASP A 352 13.775 4.538 13.312 1.00 35.78 C +ATOM 152 C ASP A 352 14.366 5.942 13.295 1.00 35.50 C +ATOM 153 O ASP A 352 15.393 6.181 13.933 1.00 36.30 O +ATOM 154 CB ASP A 352 14.585 3.643 12.367 1.00 36.40 C +ATOM 155 CG ASP A 352 14.452 2.160 12.696 1.00 39.96 C +ATOM 156 OD1 ASP A 352 14.006 1.826 13.827 1.00 42.93 O +ATOM 157 OD2 ASP A 352 14.804 1.324 11.814 1.00 43.11 O +ATOM 158 N ASP A 353 13.740 6.864 12.566 1.00 35.06 N +ATOM 159 CA ASP A 353 14.239 8.238 12.541 1.00 34.73 C +ATOM 160 C ASP A 353 13.437 9.198 13.436 1.00 32.89 C +ATOM 161 O ASP A 353 13.396 10.400 13.193 1.00 33.63 O +ATOM 162 CB ASP A 353 14.416 8.773 11.104 1.00 35.60 C +ATOM 163 CG ASP A 353 13.186 8.588 10.225 1.00 37.98 C +ATOM 164 OD1 ASP A 353 12.072 8.384 10.748 1.00 40.64 O +ATOM 165 OD2 ASP A 353 13.340 8.653 8.979 1.00 41.34 O +ATOM 166 N GLN A 354 12.829 8.649 14.488 1.00 30.95 N +ATOM 167 CA GLN A 354 12.049 9.432 15.447 1.00 28.12 C +ATOM 168 C GLN A 354 12.565 9.127 16.826 1.00 26.40 C +ATOM 169 O GLN A 354 12.961 7.994 17.115 1.00 26.74 O +ATOM 170 CB GLN A 354 10.555 9.064 15.375 1.00 27.98 C +ATOM 171 CG GLN A 354 9.824 9.602 14.137 1.00 28.02 C +ATOM 172 CD GLN A 354 8.388 9.127 14.034 1.00 28.05 C +ATOM 173 OE1 GLN A 354 8.085 7.966 14.299 1.00 27.05 O +ATOM 174 NE2 GLN A 354 7.493 10.032 13.635 1.00 28.63 N +ATOM 175 N ASP A 355 12.545 10.118 17.710 1.00 24.18 N +ATOM 176 CA ASP A 355 12.946 9.870 19.093 1.00 22.85 C +ATOM 177 C ASP A 355 11.859 9.023 19.743 1.00 22.41 C +ATOM 178 O ASP A 355 10.692 9.416 19.735 1.00 22.60 O +ATOM 179 CB ASP A 355 13.051 11.192 19.876 1.00 22.95 C +ATOM 180 CG ASP A 355 14.273 12.033 19.507 1.00 24.83 C +ATOM 181 OD1 ASP A 355 15.247 11.504 18.943 1.00 27.18 O +ATOM 182 OD2 ASP A 355 14.272 13.249 19.841 1.00 23.98 O +ATOM 183 N ALA A 356 12.257 7.901 20.347 1.00 21.24 N +ATOM 184 CA ALA A 356 11.331 7.051 21.093 1.00 21.42 C +ATOM 185 C ALA A 356 11.718 6.986 22.558 1.00 20.70 C +ATOM 186 O ALA A 356 12.892 6.920 22.886 1.00 20.68 O +ATOM 187 CB ALA A 356 11.343 5.655 20.516 1.00 21.76 C +ATOM 188 N ILE A 357 10.716 6.917 23.416 1.00 21.25 N +ATOM 189 CA ILE A 357 10.916 6.767 24.840 1.00 22.09 C +ATOM 190 C ILE A 357 10.150 5.514 25.286 1.00 23.37 C +ATOM 191 O ILE A 357 8.991 5.295 24.889 1.00 22.93 O +ATOM 192 CB ILE A 357 10.567 8.094 25.617 1.00 22.91 C +ATOM 193 CG1 ILE A 357 10.994 8.008 27.090 1.00 20.81 C +ATOM 194 CG2 ILE A 357 9.095 8.508 25.465 1.00 24.03 C +ATOM 195 CD1 ILE A 357 12.445 8.266 27.330 1.00 26.86 C +ATOM 196 N LEU A 358 10.822 4.679 26.087 1.00 24.32 N +ATOM 197 CA LEU A 358 10.253 3.432 26.578 1.00 26.34 C +ATOM 198 C LEU A 358 9.802 3.620 28.010 1.00 26.86 C +ATOM 199 O LEU A 358 10.589 4.077 28.854 1.00 25.59 O +ATOM 200 CB LEU A 358 11.323 2.327 26.541 1.00 26.60 C +ATOM 201 CG LEU A 358 10.972 0.973 27.170 1.00 28.44 C +ATOM 202 CD1 LEU A 358 9.903 0.276 26.354 1.00 32.52 C +ATOM 203 CD2 LEU A 358 12.231 0.146 27.261 1.00 30.02 C +ATOM 204 N CYS A 359 8.562 3.260 28.310 1.00 28.40 N +ATOM 205 CA CYS A 359 8.145 3.282 29.698 1.00 29.78 C +ATOM 206 C CYS A 359 8.802 2.112 30.433 1.00 31.10 C +ATOM 207 O CYS A 359 8.545 0.945 30.142 1.00 30.60 O +ATOM 208 CB CYS A 359 6.637 3.270 29.853 1.00 29.84 C +ATOM 209 SG CYS A 359 6.136 3.209 31.579 1.00 30.09 S +ATOM 210 N GLU A 360 9.687 2.439 31.362 1.00 32.14 N +ATOM 211 CA GLU A 360 10.405 1.420 32.121 1.00 34.32 C +ATOM 212 C GLU A 360 9.834 1.320 33.526 1.00 34.94 C +ATOM 213 O GLU A 360 10.364 0.574 34.357 1.00 35.76 O +ATOM 214 CB GLU A 360 11.905 1.722 32.169 1.00 33.97 C +ATOM 215 CG GLU A 360 12.613 1.618 30.833 1.00 35.23 C +ATOM 216 CD GLU A 360 14.109 1.786 30.945 1.00 36.33 C +ATOM 217 OE1 GLU A 360 14.771 0.894 31.528 1.00 42.45 O +ATOM 218 OE2 GLU A 360 14.641 2.801 30.457 1.00 38.64 O +ATOM 219 N ALA A 361 8.764 2.058 33.804 1.00 35.70 N +ATOM 220 CA ALA A 361 8.104 1.959 35.107 1.00 37.68 C +ATOM 221 C ALA A 361 7.509 0.560 35.254 1.00 39.08 C +ATOM 222 O ALA A 361 7.799 -0.168 36.220 1.00 39.81 O +ATOM 223 CB ALA A 361 7.034 3.009 35.261 1.00 36.77 C +ATOM 224 N SER A 362 6.684 0.182 34.283 1.00 40.20 N +ATOM 225 CA SER A 362 6.147 -1.171 34.241 1.00 41.28 C +ATOM 226 C SER A 362 5.732 -1.609 32.841 1.00 41.40 C +ATOM 227 O SER A 362 6.197 -2.650 32.363 1.00 41.61 O +ATOM 228 CB SER A 362 4.984 -1.330 35.221 1.00 41.35 C +ATOM 229 OG SER A 362 4.595 -2.692 35.292 1.00 42.59 O +ATOM 230 N CYS A 363 4.889 -0.803 32.186 1.00 41.38 N +ATOM 231 CA CYS A 363 4.218 -1.211 30.938 1.00 41.18 C +ATOM 232 C CYS A 363 5.121 -1.614 29.760 1.00 40.40 C +ATOM 233 O CYS A 363 4.763 -2.499 28.983 1.00 40.58 O +ATOM 234 CB CYS A 363 3.130 -0.212 30.514 1.00 41.31 C +ATOM 235 SG CYS A 363 3.676 1.296 29.664 1.00 43.75 S +ATOM 236 N GLN A 364 6.278 -0.968 29.626 1.00 38.66 N +ATOM 237 CA GLN A 364 7.202 -1.268 28.541 1.00 37.49 C +ATOM 238 C GLN A 364 6.598 -0.901 27.174 1.00 36.56 C +ATOM 239 O GLN A 364 6.938 -1.520 26.170 1.00 37.06 O +ATOM 240 CB GLN A 364 7.565 -2.752 28.543 1.00 38.12 C +ATOM 241 CG GLN A 364 9.037 -3.053 28.370 1.00 39.40 C +ATOM 242 CD GLN A 364 9.707 -3.313 29.702 1.00 41.53 C +ATOM 243 OE1 GLN A 364 9.146 -2.996 30.751 1.00 44.55 O +ATOM 244 NE2 GLN A 364 10.899 -3.907 29.673 1.00 41.77 N +ATOM 245 N LYS A 365 5.686 0.068 27.169 1.00 34.43 N +ATOM 246 CA LYS A 365 5.150 0.657 25.934 1.00 32.80 C +ATOM 247 C LYS A 365 6.151 1.697 25.407 1.00 30.74 C +ATOM 248 O LYS A 365 6.874 2.336 26.204 1.00 29.78 O +ATOM 249 CB LYS A 365 3.793 1.316 26.184 1.00 32.83 C +ATOM 250 CG LYS A 365 2.627 0.351 26.554 1.00 35.24 C +ATOM 251 CD LYS A 365 1.242 0.996 26.379 1.00 34.55 C +ATOM 252 CE LYS A 365 0.908 2.044 27.440 1.00 36.72 C +ATOM 253 NZ LYS A 365 -0.487 2.590 27.303 1.00 38.42 N +ATOM 254 N PHE A 366 6.218 1.830 24.076 1.00 28.33 N +ATOM 255 CA PHE A 366 7.012 2.886 23.452 1.00 26.54 C +ATOM 256 C PHE A 366 6.150 4.059 23.091 1.00 24.49 C +ATOM 257 O PHE A 366 4.940 3.923 22.922 1.00 24.37 O +ATOM 258 CB PHE A 366 7.679 2.386 22.192 1.00 27.22 C +ATOM 259 CG PHE A 366 8.895 1.599 22.450 1.00 29.31 C +ATOM 260 CD1 PHE A 366 10.111 2.242 22.681 1.00 30.62 C +ATOM 261 CD2 PHE A 366 8.827 0.214 22.511 1.00 29.93 C +ATOM 262 CE1 PHE A 366 11.259 1.516 22.927 1.00 31.66 C +ATOM 263 CE2 PHE A 366 9.965 -0.527 22.767 1.00 31.02 C +ATOM 264 CZ PHE A 366 11.184 0.121 22.971 1.00 31.06 C +ATOM 265 N PHE A 367 6.785 5.227 22.994 1.00 22.08 N +ATOM 266 CA PHE A 367 6.053 6.468 22.723 1.00 19.39 C +ATOM 267 C PHE A 367 6.984 7.362 21.915 1.00 18.39 C +ATOM 268 O PHE A 367 8.185 7.366 22.129 1.00 18.47 O +ATOM 269 CB PHE A 367 5.741 7.225 24.013 1.00 19.90 C +ATOM 270 CG PHE A 367 4.836 6.489 24.993 1.00 20.03 C +ATOM 271 CD1 PHE A 367 3.511 6.872 25.152 1.00 24.99 C +ATOM 272 CD2 PHE A 367 5.352 5.478 25.800 1.00 23.13 C +ATOM 273 CE1 PHE A 367 2.688 6.220 26.088 1.00 26.18 C +ATOM 274 CE2 PHE A 367 4.532 4.811 26.720 1.00 22.82 C +ATOM 275 CZ PHE A 367 3.215 5.191 26.856 1.00 25.03 C +ATOM 276 N HIS A 368 6.407 8.131 20.997 1.00 16.76 N +ATOM 277 CA HIS A 368 7.157 9.259 20.425 1.00 15.81 C +ATOM 278 C HIS A 368 7.463 10.258 21.540 1.00 15.69 C +ATOM 279 O HIS A 368 6.567 10.683 22.283 1.00 17.04 O +ATOM 280 CB HIS A 368 6.312 10.033 19.356 1.00 15.45 C +ATOM 281 CG HIS A 368 5.866 9.213 18.187 1.00 16.69 C +ATOM 282 ND1 HIS A 368 4.555 8.808 18.018 1.00 18.35 N +ATOM 283 CD2 HIS A 368 6.544 8.796 17.094 1.00 20.60 C +ATOM 284 CE1 HIS A 368 4.468 8.123 16.885 1.00 19.36 C +ATOM 285 NE2 HIS A 368 5.655 8.115 16.301 1.00 23.99 N +ATOM 286 N ARG A 369 8.729 10.682 21.618 1.00 16.70 N +ATOM 287 CA ARG A 369 9.089 11.799 22.497 1.00 16.08 C +ATOM 288 C ARG A 369 8.116 12.948 22.318 1.00 15.99 C +ATOM 289 O ARG A 369 7.578 13.454 23.278 1.00 16.83 O +ATOM 290 CB ARG A 369 10.524 12.278 22.241 1.00 16.21 C +ATOM 291 CG ARG A 369 10.900 13.407 23.172 1.00 16.81 C +ATOM 292 CD ARG A 369 12.134 14.182 22.755 1.00 19.26 C +ATOM 293 NE ARG A 369 12.102 14.672 21.361 1.00 20.03 N +ATOM 294 CZ ARG A 369 11.414 15.742 20.957 1.00 20.66 C +ATOM 295 NH1 ARG A 369 10.659 16.462 21.792 1.00 18.54 N +ATOM 296 NH2 ARG A 369 11.501 16.123 19.683 1.00 23.58 N +ATOM 297 N ILE A 370 7.852 13.330 21.069 1.00 16.80 N +ATOM 298 CA AILE A 370 6.960 14.446 20.767 0.50 18.15 C +ATOM 299 CA BILE A 370 7.001 14.486 20.865 0.50 18.50 C +ATOM 300 C ILE A 370 5.601 14.318 21.468 1.00 18.56 C +ATOM 301 O ILE A 370 5.062 15.283 22.057 1.00 20.84 O +ATOM 302 CB AILE A 370 6.807 14.567 19.240 0.50 18.03 C +ATOM 303 CB BILE A 370 7.002 14.977 19.404 0.50 18.80 C +ATOM 304 CG1AILE A 370 8.115 15.097 18.637 0.50 18.45 C +ATOM 305 CG1BILE A 370 6.223 16.297 19.306 0.50 19.94 C +ATOM 306 CG2AILE A 370 5.634 15.458 18.873 0.50 18.67 C +ATOM 307 CG2BILE A 370 6.523 13.901 18.445 0.50 18.97 C +ATOM 308 CD1AILE A 370 8.310 14.744 17.182 0.50 21.51 C +ATOM 309 CD1BILE A 370 5.737 16.640 17.921 0.50 23.59 C +ATOM 310 N CYS A 371 5.034 13.109 21.393 1.00 18.85 N +ATOM 311 CA CYS A 371 3.722 12.851 21.948 1.00 18.85 C +ATOM 312 C CYS A 371 3.665 12.990 23.487 1.00 19.32 C +ATOM 313 O CYS A 371 2.607 13.305 24.044 1.00 19.99 O +ATOM 314 CB CYS A 371 3.216 11.484 21.489 1.00 20.00 C +ATOM 315 SG CYS A 371 2.935 11.414 19.704 1.00 20.14 S +ATOM 316 N THR A 372 4.779 12.733 24.166 1.00 19.70 N +ATOM 317 CA THR A 372 4.800 12.789 25.625 1.00 19.69 C +ATOM 318 C THR A 372 4.887 14.235 26.139 1.00 20.22 C +ATOM 319 O THR A 372 4.538 14.516 27.278 1.00 20.97 O +ATOM 320 CB THR A 372 6.018 12.015 26.193 1.00 19.68 C +ATOM 321 OG1 THR A 372 7.218 12.734 25.865 1.00 18.78 O +ATOM 322 CG2 THR A 372 6.052 10.606 25.678 1.00 19.84 C +ATOM 323 N GLY A 373 5.363 15.164 25.313 1.00 20.43 N +ATOM 324 CA GLY A 373 5.630 16.495 25.814 1.00 19.57 C +ATOM 325 C GLY A 373 7.020 16.721 26.397 1.00 19.10 C +ATOM 326 O GLY A 373 7.331 17.828 26.849 1.00 18.93 O +ATOM 327 N MET A 374 7.873 15.680 26.350 1.00 18.10 N +ATOM 328 CA MET A 374 9.224 15.810 26.882 1.00 17.56 C +ATOM 329 C MET A 374 10.055 16.639 25.894 1.00 16.61 C +ATOM 330 O MET A 374 9.968 16.432 24.667 1.00 18.47 O +ATOM 331 CB MET A 374 9.862 14.418 27.055 1.00 17.99 C +ATOM 332 CG MET A 374 11.202 14.507 27.714 1.00 18.82 C +ATOM 333 SD MET A 374 11.970 12.871 27.917 1.00 19.94 S +ATOM 334 CE MET A 374 10.760 12.065 28.963 1.00 21.06 C +ATOM 335 N THR A 375 10.836 17.573 26.413 1.00 16.70 N +ATOM 336 CA THR A 375 11.668 18.409 25.524 1.00 16.25 C +ATOM 337 C THR A 375 12.824 17.587 24.965 1.00 16.97 C +ATOM 338 O THR A 375 13.224 16.566 25.541 1.00 15.70 O +ATOM 339 CB THR A 375 12.226 19.670 26.256 1.00 17.47 C +ATOM 340 OG1 THR A 375 13.128 19.278 27.286 1.00 18.01 O +ATOM 341 CG2 THR A 375 11.102 20.510 26.880 1.00 18.58 C +ATOM 342 N GLU A 376 13.379 18.012 23.833 1.00 17.74 N +ATOM 343 CA GLU A 376 14.544 17.300 23.287 1.00 19.17 C +ATOM 344 C GLU A 376 15.698 17.321 24.300 1.00 16.78 C +ATOM 345 O GLU A 376 16.424 16.327 24.459 1.00 17.09 O +ATOM 346 CB GLU A 376 14.991 17.988 21.977 1.00 20.20 C +ATOM 347 CG GLU A 376 13.949 18.036 20.903 1.00 25.01 C +ATOM 348 CD GLU A 376 14.549 18.418 19.552 1.00 25.44 C +ATOM 349 OE1 GLU A 376 15.392 17.642 19.033 1.00 31.96 O +ATOM 350 OE2 GLU A 376 14.168 19.477 19.021 1.00 34.25 O +ATOM 351 N THR A 377 15.893 18.437 25.011 1.00 16.89 N +ATOM 352 CA THR A 377 17.006 18.506 25.938 1.00 17.28 C +ATOM 353 C THR A 377 16.797 17.530 27.098 1.00 16.15 C +ATOM 354 O THR A 377 17.733 16.825 27.491 1.00 16.25 O +ATOM 355 CB THR A 377 17.190 19.943 26.448 1.00 18.94 C +ATOM 356 OG1 THR A 377 17.411 20.768 25.292 1.00 21.97 O +ATOM 357 CG2 THR A 377 18.370 20.010 27.400 1.00 19.61 C +ATOM 358 N ALA A 378 15.583 17.534 27.656 1.00 15.27 N +ATOM 359 CA ALA A 378 15.265 16.591 28.727 1.00 14.82 C +ATOM 360 C ALA A 378 15.459 15.143 28.274 1.00 14.25 C +ATOM 361 O ALA A 378 16.008 14.356 29.030 1.00 15.09 O +ATOM 362 CB ALA A 378 13.874 16.820 29.316 1.00 14.85 C +ATOM 363 N TYR A 379 15.032 14.804 27.052 1.00 14.33 N +ATOM 364 CA TYR A 379 15.222 13.450 26.499 1.00 14.98 C +ATOM 365 C TYR A 379 16.697 13.093 26.398 1.00 15.57 C +ATOM 366 O TYR A 379 17.135 12.000 26.808 1.00 15.87 O +ATOM 367 CB TYR A 379 14.559 13.421 25.115 1.00 15.76 C +ATOM 368 CG TYR A 379 14.696 12.123 24.374 1.00 15.99 C +ATOM 369 CD1 TYR A 379 13.859 11.052 24.689 1.00 18.63 C +ATOM 370 CD2 TYR A 379 15.659 11.961 23.395 1.00 19.43 C +ATOM 371 CE1 TYR A 379 13.970 9.849 24.014 1.00 17.28 C +ATOM 372 CE2 TYR A 379 15.794 10.755 22.710 1.00 19.37 C +ATOM 373 CZ TYR A 379 14.942 9.714 23.025 1.00 18.88 C +ATOM 374 OH TYR A 379 15.068 8.517 22.352 1.00 20.74 O +ATOM 375 N GLY A 380 17.481 14.037 25.885 1.00 15.68 N +ATOM 376 CA GLY A 380 18.926 13.837 25.803 1.00 16.34 C +ATOM 377 C GLY A 380 19.575 13.557 27.155 1.00 16.90 C +ATOM 378 O GLY A 380 20.389 12.638 27.299 1.00 18.37 O +ATOM 379 N LEU A 381 19.176 14.306 28.170 1.00 15.69 N +ATOM 380 CA LEU A 381 19.763 14.114 29.477 1.00 16.65 C +ATOM 381 C LEU A 381 19.287 12.820 30.128 1.00 15.85 C +ATOM 382 O LEU A 381 20.083 12.126 30.738 1.00 16.76 O +ATOM 383 CB LEU A 381 19.457 15.298 30.384 1.00 16.36 C +ATOM 384 CG LEU A 381 20.049 16.634 29.972 1.00 17.91 C +ATOM 385 CD1 LEU A 381 19.508 17.674 30.936 1.00 20.67 C +ATOM 386 CD2 LEU A 381 21.558 16.511 30.099 1.00 18.71 C +ATOM 387 N LEU A 382 18.012 12.493 29.967 1.00 15.36 N +ATOM 388 CA ALEU A 382 17.472 11.297 30.620 0.50 16.70 C +ATOM 389 CA BLEU A 382 17.425 11.296 30.574 0.50 16.98 C +ATOM 390 C LEU A 382 18.018 10.047 29.958 1.00 17.77 C +ATOM 391 O LEU A 382 18.407 9.115 30.649 1.00 17.70 O +ATOM 392 CB ALEU A 382 15.932 11.312 30.650 0.50 16.30 C +ATOM 393 CB BLEU A 382 15.905 11.311 30.359 0.50 16.50 C +ATOM 394 CG ALEU A 382 15.302 10.110 31.375 0.50 16.06 C +ATOM 395 CG BLEU A 382 15.094 10.301 31.167 0.50 17.87 C +ATOM 396 CD1ALEU A 382 14.059 10.539 32.138 0.50 15.49 C +ATOM 397 CD1BLEU A 382 15.301 10.498 32.659 0.50 16.94 C +ATOM 398 CD2ALEU A 382 14.954 9.025 30.378 0.50 16.39 C +ATOM 399 CD2BLEU A 382 13.625 10.459 30.798 0.50 16.86 C +ATOM 400 N THR A 383 18.105 10.040 28.633 1.00 18.81 N +ATOM 401 CA THR A 383 18.627 8.854 27.940 1.00 21.19 C +ATOM 402 C THR A 383 20.117 8.631 28.281 1.00 22.07 C +ATOM 403 O THR A 383 20.563 7.485 28.282 1.00 24.05 O +ATOM 404 CB THR A 383 18.338 8.894 26.430 1.00 22.09 C +ATOM 405 OG1 THR A 383 18.899 10.079 25.876 1.00 24.72 O +ATOM 406 CG2 THR A 383 16.850 8.868 26.211 1.00 22.53 C +ATOM 407 N ALA A 384 20.859 9.697 28.613 1.00 22.07 N +ATOM 408 CA ALA A 384 22.276 9.549 28.952 1.00 23.30 C +ATOM 409 C ALA A 384 22.549 9.008 30.370 1.00 23.83 C +ATOM 410 O ALA A 384 23.659 8.552 30.660 1.00 25.75 O +ATOM 411 CB ALA A 384 23.040 10.850 28.724 1.00 23.75 C +ATOM 412 N AGLU A 385 21.551 9.061 31.242 0.50 23.52 N +ATOM 413 N BGLU A 385 21.543 9.072 31.241 0.50 23.61 N +ATOM 414 CA AGLU A 385 21.774 8.730 32.652 0.50 23.65 C +ATOM 415 CA BGLU A 385 21.712 8.707 32.660 0.50 23.84 C +ATOM 416 C AGLU A 385 21.336 7.306 32.999 0.50 23.75 C +ATOM 417 C BGLU A 385 21.326 7.265 32.946 0.50 23.86 C +ATOM 418 O AGLU A 385 20.148 6.993 33.011 0.50 23.58 O +ATOM 419 O BGLU A 385 20.156 6.900 32.885 0.50 23.72 O +ATOM 420 CB AGLU A 385 21.108 9.786 33.562 0.50 23.95 C +ATOM 421 CB BGLU A 385 20.898 9.641 33.576 0.50 24.16 C +ATOM 422 CG AGLU A 385 21.213 9.500 35.062 0.50 23.38 C +ATOM 423 CG BGLU A 385 21.410 11.068 33.670 0.50 24.08 C +ATOM 424 CD AGLU A 385 22.637 9.228 35.562 0.50 23.70 C +ATOM 425 CD BGLU A 385 22.780 11.228 34.348 0.50 24.80 C +ATOM 426 OE1AGLU A 385 23.512 10.120 35.413 0.50 23.74 O +ATOM 427 OE1BGLU A 385 23.103 10.474 35.286 0.50 24.39 O +ATOM 428 OE2AGLU A 385 22.865 8.124 36.129 0.50 21.76 O +ATOM 429 OE2BGLU A 385 23.539 12.134 33.945 0.50 25.69 O +ATOM 430 N ALA A 386 22.312 6.442 33.293 1.00 24.28 N +ATOM 431 CA ALA A 386 22.046 5.043 33.578 1.00 24.30 C +ATOM 432 C ALA A 386 21.068 4.777 34.736 1.00 23.87 C +ATOM 433 O ALA A 386 20.338 3.791 34.725 1.00 24.70 O +ATOM 434 CB ALA A 386 23.375 4.278 33.806 1.00 25.81 C +ATOM 435 N SER A 387 21.067 5.655 35.739 1.00 22.61 N +ATOM 436 CA SER A 387 20.242 5.450 36.920 1.00 21.46 C +ATOM 437 C SER A 387 18.855 6.080 36.809 1.00 20.39 C +ATOM 438 O SER A 387 18.094 6.098 37.774 1.00 20.78 O +ATOM 439 CB SER A 387 20.962 5.999 38.161 1.00 22.25 C +ATOM 440 OG SER A 387 20.987 7.421 38.150 1.00 22.94 O +ATOM 441 N ALA A 388 18.540 6.610 35.632 1.00 20.15 N +ATOM 442 CA ALA A 388 17.261 7.291 35.414 1.00 19.87 C +ATOM 443 C ALA A 388 16.461 6.539 34.379 1.00 20.35 C +ATOM 444 O ALA A 388 17.020 6.031 33.386 1.00 21.42 O +ATOM 445 CB ALA A 388 17.487 8.774 34.981 1.00 19.60 C +ATOM 446 N VAL A 389 15.159 6.443 34.609 1.00 19.30 N +ATOM 447 CA VAL A 389 14.274 5.889 33.578 1.00 19.50 C +ATOM 448 C VAL A 389 13.025 6.735 33.525 1.00 17.93 C +ATOM 449 O VAL A 389 12.813 7.591 34.388 1.00 18.32 O +ATOM 450 CB VAL A 389 13.926 4.401 33.831 1.00 20.42 C +ATOM 451 CG1 VAL A 389 15.209 3.554 33.988 1.00 23.12 C +ATOM 452 CG2 VAL A 389 12.990 4.285 35.013 1.00 20.66 C +ATOM 453 N TRP A 390 12.225 6.521 32.487 1.00 19.05 N +ATOM 454 CA TRP A 390 11.005 7.288 32.345 1.00 18.88 C +ATOM 455 C TRP A 390 9.780 6.417 32.594 1.00 20.74 C +ATOM 456 O TRP A 390 9.800 5.215 32.287 1.00 22.00 O +ATOM 457 CB TRP A 390 10.924 7.893 30.931 1.00 19.03 C +ATOM 458 CG TRP A 390 9.656 8.640 30.601 1.00 19.45 C +ATOM 459 CD1 TRP A 390 9.338 9.914 30.971 1.00 18.76 C +ATOM 460 CD2 TRP A 390 8.558 8.175 29.776 1.00 18.64 C +ATOM 461 NE1 TRP A 390 8.101 10.276 30.449 1.00 19.09 N +ATOM 462 CE2 TRP A 390 7.602 9.229 29.715 1.00 17.47 C +ATOM 463 CE3 TRP A 390 8.288 6.973 29.109 1.00 19.63 C +ATOM 464 CZ2 TRP A 390 6.395 9.118 28.990 1.00 17.45 C +ATOM 465 CZ3 TRP A 390 7.076 6.860 28.390 1.00 19.58 C +ATOM 466 CH2 TRP A 390 6.170 7.940 28.326 1.00 19.70 C +ATOM 467 N GLY A 391 8.741 7.054 33.113 1.00 22.81 N +ATOM 468 CA GLY A 391 7.453 6.412 33.369 1.00 24.30 C +ATOM 469 C GLY A 391 6.315 7.174 32.731 1.00 26.16 C +ATOM 470 O GLY A 391 6.226 8.390 32.874 1.00 24.82 O +ATOM 471 N CYS A 392 5.466 6.429 32.014 1.00 28.67 N +ATOM 472 CA CYS A 392 4.207 6.915 31.400 1.00 31.38 C +ATOM 473 C CYS A 392 3.272 7.602 32.412 1.00 33.58 C +ATOM 474 O CYS A 392 3.302 7.263 33.597 1.00 33.86 O +ATOM 475 CB CYS A 392 3.477 5.759 30.618 1.00 32.76 C +ATOM 476 SG CYS A 392 2.455 4.325 31.445 1.00 26.09 S +ATOM 477 N ASP A 393 2.469 8.571 31.962 1.00 35.95 N +ATOM 478 CA ASP A 393 1.541 9.293 32.858 1.00 39.35 C +ATOM 479 C ASP A 393 0.482 8.367 33.478 1.00 40.62 C +ATOM 480 O ASP A 393 -0.042 8.645 34.562 1.00 41.19 O +ATOM 481 CB ASP A 393 0.859 10.469 32.151 1.00 39.77 C +ATOM 482 CG ASP A 393 1.699 11.738 32.156 1.00 41.96 C +ATOM 483 OD1 ASP A 393 2.566 11.899 33.051 1.00 42.80 O +ATOM 484 OD2 ASP A 393 1.469 12.591 31.267 1.00 44.77 O +ATOM 485 N THR A 394 0.178 7.272 32.785 1.00 42.12 N +ATOM 486 CA THR A 394 -0.717 6.249 33.314 1.00 43.66 C +ATOM 487 C THR A 394 -0.021 5.510 34.454 1.00 44.36 C +ATOM 488 O THR A 394 -0.535 5.482 35.582 1.00 45.37 O +ATOM 489 CB THR A 394 -1.157 5.250 32.214 1.00 43.53 C +ATOM 490 OG1 THR A 394 -1.719 5.970 31.111 1.00 44.37 O +ATOM 491 CG2 THR A 394 -2.189 4.265 32.743 1.00 44.39 C +ATOM 492 N CYS A 395 1.146 4.932 34.167 1.00 44.94 N +ATOM 493 CA CYS A 395 1.900 4.164 35.157 1.00 45.04 C +ATOM 494 C CYS A 395 2.249 4.971 36.408 1.00 45.17 C +ATOM 495 O CYS A 395 2.264 4.433 37.515 1.00 45.69 O +ATOM 496 CB CYS A 395 3.169 3.564 34.551 1.00 45.13 C +ATOM 497 SG CYS A 395 2.918 2.065 33.568 1.00 45.87 S +ATOM 498 N MET A 396 2.520 6.260 36.231 1.00 45.06 N +ATOM 499 CA MET A 396 2.884 7.121 37.350 1.00 44.99 C +ATOM 500 C MET A 396 1.706 7.391 38.297 1.00 45.62 C +ATOM 501 O MET A 396 1.905 7.523 39.509 1.00 45.75 O +ATOM 502 CB MET A 396 3.530 8.419 36.855 1.00 44.53 C +ATOM 503 CG MET A 396 4.878 8.206 36.153 1.00 42.46 C +ATOM 504 SD MET A 396 6.101 7.305 37.136 1.00 38.56 S +ATOM 505 CE MET A 396 6.734 8.612 38.195 1.00 35.36 C +ATOM 506 N ALA A 397 0.494 7.465 37.745 1.00 46.25 N +ATOM 507 CA ALA A 397 -0.736 7.518 38.553 1.00 46.75 C +ATOM 508 C ALA A 397 -1.149 6.122 39.009 1.00 46.89 C +ATOM 509 O ALA A 397 -0.515 5.534 39.883 1.00 47.02 O +ATOM 510 CB ALA A 397 -1.868 8.171 37.778 1.00 47.09 C +ATOM 512 N ALA B 173 22.198 -9.055 43.353 1.00 30.20 N +ATOM 513 CA ALA B 173 22.635 -7.776 42.706 1.00 27.77 C +ATOM 514 C ALA B 173 21.406 -6.940 42.431 1.00 27.20 C +ATOM 515 O ALA B 173 20.550 -7.306 41.616 1.00 27.89 O +ATOM 516 CB ALA B 173 23.398 -8.040 41.425 1.00 28.18 C +ATOM 517 N ALA B 174 21.287 -5.849 43.166 1.00 24.64 N +ATOM 518 CA ALA B 174 20.114 -5.007 43.053 1.00 23.29 C +ATOM 519 C ALA B 174 20.601 -3.594 42.863 1.00 22.86 C +ATOM 520 O ALA B 174 21.691 -3.227 43.332 1.00 24.38 O +ATOM 521 CB ALA B 174 19.241 -5.124 44.271 1.00 23.59 C +ATOM 522 N LYS B 175 19.797 -2.813 42.162 1.00 20.71 N +ATOM 523 CA ALYS B 175 20.181 -1.453 41.791 0.50 20.95 C +ATOM 524 CA BLYS B 175 20.170 -1.470 41.751 0.50 20.76 C +ATOM 525 C LYS B 175 18.974 -0.564 42.015 1.00 19.79 C +ATOM 526 O LYS B 175 17.841 -0.973 41.797 1.00 19.98 O +ATOM 527 CB ALYS B 175 20.650 -1.404 40.322 0.50 21.36 C +ATOM 528 CB BLYS B 175 20.471 -1.503 40.253 0.50 21.09 C +ATOM 529 CG ALYS B 175 20.696 -0.023 39.647 0.50 22.97 C +ATOM 530 CG BLYS B 175 21.056 -0.259 39.659 0.50 23.62 C +ATOM 531 CD ALYS B 175 21.563 -0.062 38.376 0.50 22.08 C +ATOM 532 CD BLYS B 175 21.029 -0.368 38.146 0.50 24.88 C +ATOM 533 CE ALYS B 175 21.527 1.237 37.558 0.50 24.92 C +ATOM 534 CE BLYS B 175 21.642 0.845 37.473 0.50 26.08 C +ATOM 535 NZ ALYS B 175 22.658 2.157 37.883 0.50 27.50 N +ATOM 536 NZ BLYS B 175 21.243 0.861 36.041 0.50 24.32 N +ATOM 537 N VAL B 176 19.204 0.663 42.481 1.00 17.76 N +ATOM 538 CA VAL B 176 18.076 1.579 42.587 1.00 16.38 C +ATOM 539 C VAL B 176 18.091 2.465 41.352 1.00 16.85 C +ATOM 540 O VAL B 176 19.159 2.999 40.992 1.00 18.49 O +ATOM 541 CB VAL B 176 18.207 2.524 43.827 1.00 16.12 C +ATOM 542 CG1 VAL B 176 17.075 3.551 43.869 1.00 18.02 C +ATOM 543 CG2 VAL B 176 18.272 1.733 45.138 1.00 16.74 C +ATOM 544 N VAL B 177 16.943 2.572 40.698 1.00 16.45 N +ATOM 545 CA VAL B 177 16.826 3.533 39.596 1.00 18.52 C +ATOM 546 C VAL B 177 15.772 4.553 39.946 1.00 17.95 C +ATOM 547 O VAL B 177 14.860 4.273 40.731 1.00 18.98 O +ATOM 548 CB VAL B 177 16.545 2.819 38.254 1.00 19.72 C +ATOM 549 CG1 VAL B 177 17.658 1.797 38.011 1.00 21.82 C +ATOM 550 CG2 VAL B 177 15.203 2.152 38.276 1.00 22.25 C +ATOM 551 N TYR B 178 15.903 5.758 39.389 1.00 16.96 N +ATOM 552 CA TYR B 178 14.909 6.777 39.639 1.00 18.21 C +ATOM 553 C TYR B 178 13.983 6.966 38.457 1.00 18.03 C +ATOM 554 O TYR B 178 14.453 7.084 37.320 1.00 18.14 O +ATOM 555 CB TYR B 178 15.615 8.076 39.989 1.00 18.38 C +ATOM 556 CG TYR B 178 16.459 7.864 41.196 1.00 19.92 C +ATOM 557 CD1 TYR B 178 15.874 7.862 42.450 1.00 20.65 C +ATOM 558 CD2 TYR B 178 17.815 7.581 41.078 1.00 21.10 C +ATOM 559 CE1 TYR B 178 16.633 7.618 43.589 1.00 23.08 C +ATOM 560 CE2 TYR B 178 18.598 7.337 42.230 1.00 24.11 C +ATOM 561 CZ TYR B 178 17.976 7.357 43.469 1.00 23.32 C +ATOM 562 OH TYR B 178 18.709 7.156 44.632 1.00 25.51 O +ATOM 563 N VAL B 179 12.680 6.988 38.729 1.00 18.64 N +ATOM 564 CA VAL B 179 11.677 6.974 37.664 1.00 19.34 C +ATOM 565 C VAL B 179 11.147 8.382 37.518 1.00 18.90 C +ATOM 566 O VAL B 179 10.623 8.962 38.479 1.00 18.90 O +ATOM 567 CB VAL B 179 10.507 5.986 37.950 1.00 21.08 C +ATOM 568 CG1 VAL B 179 9.542 5.939 36.747 1.00 22.85 C +ATOM 569 CG2 VAL B 179 11.040 4.598 38.314 1.00 22.12 C +ATOM 570 N PHE B 180 11.273 8.930 36.305 1.00 16.67 N +ATOM 571 CA PHE B 180 10.847 10.301 36.036 1.00 17.49 C +ATOM 572 C PHE B 180 9.590 10.340 35.192 1.00 17.13 C +ATOM 573 O PHE B 180 9.537 9.726 34.127 1.00 17.52 O +ATOM 574 CB PHE B 180 11.936 11.027 35.214 1.00 17.12 C +ATOM 575 CG PHE B 180 13.155 11.384 35.989 1.00 15.94 C +ATOM 576 CD1 PHE B 180 13.424 12.707 36.306 1.00 16.68 C +ATOM 577 CD2 PHE B 180 14.072 10.397 36.361 1.00 16.08 C +ATOM 578 CE1 PHE B 180 14.579 13.051 37.012 1.00 16.62 C +ATOM 579 CE2 PHE B 180 15.217 10.740 37.092 1.00 16.86 C +ATOM 580 CZ PHE B 180 15.478 12.053 37.395 1.00 17.72 C +ATOM 581 N SER B 181 8.576 11.065 35.654 1.00 17.20 N +ATOM 582 CA SER B 181 7.465 11.433 34.786 1.00 18.38 C +ATOM 583 C SER B 181 7.970 12.436 33.747 1.00 18.31 C +ATOM 584 O SER B 181 9.050 12.980 33.899 1.00 17.87 O +ATOM 585 CB SER B 181 6.337 12.097 35.583 1.00 17.44 C +ATOM 586 OG SER B 181 6.721 13.346 36.138 1.00 21.33 O +ATOM 587 N THR B 182 7.178 12.662 32.702 1.00 18.67 N +ATOM 588 CA THR B 182 7.531 13.730 31.751 1.00 20.02 C +ATOM 589 C THR B 182 7.708 15.084 32.451 1.00 19.67 C +ATOM 590 O THR B 182 8.700 15.789 32.223 1.00 17.38 O +ATOM 591 CB THR B 182 6.504 13.805 30.627 1.00 19.83 C +ATOM 592 OG1 THR B 182 6.500 12.567 29.909 1.00 22.24 O +ATOM 593 CG2 THR B 182 6.846 14.968 29.697 1.00 22.54 C +ATOM 594 N GLU B 183 6.762 15.467 33.318 1.00 20.20 N +ATOM 595 CA GLU B 183 6.886 16.703 34.092 1.00 21.89 C +ATOM 596 C GLU B 183 8.208 16.779 34.841 1.00 19.81 C +ATOM 597 O GLU B 183 8.917 17.802 34.814 1.00 19.83 O +ATOM 598 CB GLU B 183 5.695 16.833 35.074 1.00 22.73 C +ATOM 599 CG GLU B 183 5.792 18.044 35.996 1.00 25.81 C +ATOM 600 CD GLU B 183 4.441 18.583 36.500 1.00 27.86 C +ATOM 601 OE1 GLU B 183 3.372 18.052 36.107 1.00 37.67 O +ATOM 602 OE2 GLU B 183 4.457 19.544 37.305 1.00 35.74 O +ATOM 603 N AMET B 184 8.546 15.683 35.515 0.50 20.29 N +ATOM 604 N CMET B 184 8.576 15.685 35.499 0.50 18.37 N +ATOM 605 CA BMET B 184 9.785 15.642 36.333 0.50 18.42 C +ATOM 606 CA CMET B 184 9.775 15.688 36.320 0.50 16.59 C +ATOM 607 C AMET B 184 11.090 15.669 35.484 0.50 14.00 C +ATOM 608 C CMET B 184 11.044 15.701 35.470 0.50 15.79 C +ATOM 609 O AMET B 184 11.973 16.480 35.752 0.50 15.26 O +ATOM 610 O CMET B 184 12.036 16.308 35.858 0.50 16.40 O +ATOM 611 CB BMET B 184 9.817 14.335 37.121 0.50 19.10 C +ATOM 612 CB CMET B 184 9.774 14.516 37.299 0.50 17.12 C +ATOM 613 CG BMET B 184 10.890 14.284 38.194 0.50 20.87 C +ATOM 614 CG CMET B 184 8.804 14.714 38.497 0.50 20.34 C +ATOM 615 SD BMET B 184 10.619 15.408 39.575 0.50 30.63 S +ATOM 616 SD CMET B 184 9.012 16.288 39.397 0.50 29.49 S +ATOM 617 CE BMET B 184 9.099 14.782 40.291 0.50 27.89 C +ATOM 618 CE CMET B 184 7.506 17.120 38.969 0.50 26.47 C +ATOM 619 N ALA B 185 11.002 15.029 34.323 1.00 15.36 N +ATOM 620 CA ALA B 185 12.135 15.051 33.391 1.00 15.03 C +ATOM 621 C ALA B 185 12.360 16.479 32.860 1.00 15.37 C +ATOM 622 O ALA B 185 13.508 16.979 32.788 1.00 17.07 O +ATOM 623 CB ALA B 185 11.921 14.049 32.263 1.00 15.78 C +ATOM 624 N ASN B 186 11.271 17.121 32.468 1.00 15.48 N +ATOM 625 CA ASN B 186 11.393 18.502 31.995 1.00 15.93 C +ATOM 626 C ASN B 186 11.895 19.487 33.071 1.00 16.96 C +ATOM 627 O ASN B 186 12.785 20.339 32.799 1.00 17.57 O +ATOM 628 CB ASN B 186 10.035 18.943 31.437 1.00 16.30 C +ATOM 629 CG ASN B 186 9.741 18.383 30.052 1.00 16.85 C +ATOM 630 OD1 ASN B 186 10.614 17.796 29.352 1.00 17.66 O +ATOM 631 ND2 ASN B 186 8.476 18.598 29.610 1.00 18.56 N +ATOM 632 N LYS B 187 11.337 19.378 34.282 1.00 17.31 N +ATOM 633 CA LYS B 187 11.773 20.176 35.429 1.00 19.88 C +ATOM 634 C LYS B 187 13.246 19.961 35.767 1.00 17.37 C +ATOM 635 O LYS B 187 13.962 20.907 36.084 1.00 17.68 O +ATOM 636 CB LYS B 187 10.895 19.887 36.650 1.00 20.91 C +ATOM 637 CG LYS B 187 9.568 20.650 36.623 1.00 26.67 C +ATOM 638 CD LYS B 187 8.815 20.411 37.918 1.00 32.53 C +ATOM 639 CE LYS B 187 7.949 21.592 38.321 1.00 36.60 C +ATOM 640 NZ LYS B 187 7.051 21.239 39.479 1.00 39.99 N +ATOM 641 N ALA B 188 13.706 18.704 35.695 1.00 17.22 N +ATOM 642 CA ALA B 188 15.065 18.367 36.034 1.00 16.62 C +ATOM 643 C ALA B 188 16.017 18.970 35.010 1.00 15.78 C +ATOM 644 O ALA B 188 17.071 19.479 35.382 1.00 16.41 O +ATOM 645 CB ALA B 188 15.260 16.860 36.103 1.00 17.16 C +ATOM 646 N ALA B 189 15.630 18.899 33.744 1.00 15.92 N +ATOM 647 CA ALA B 189 16.432 19.519 32.669 1.00 15.93 C +ATOM 648 C ALA B 189 16.537 21.034 32.881 1.00 17.03 C +ATOM 649 O ALA B 189 17.651 21.586 32.780 1.00 17.19 O +ATOM 650 CB ALA B 189 15.874 19.207 31.334 1.00 16.12 C +ATOM 651 N GLU B 190 15.416 21.681 33.228 1.00 17.25 N +ATOM 652 CA GLU B 190 15.450 23.119 33.567 1.00 19.22 C +ATOM 653 C GLU B 190 16.396 23.423 34.712 1.00 18.99 C +ATOM 654 O GLU B 190 17.193 24.354 34.629 1.00 18.38 O +ATOM 655 CB GLU B 190 14.042 23.660 33.837 1.00 19.58 C +ATOM 656 CG GLU B 190 13.192 23.781 32.592 1.00 26.35 C +ATOM 657 CD GLU B 190 13.610 24.969 31.722 1.00 30.97 C +ATOM 658 OE1 GLU B 190 13.505 26.127 32.182 1.00 34.85 O +ATOM 659 OE2 GLU B 190 14.030 24.741 30.569 1.00 33.96 O +ATOM 660 N ALA B 191 16.371 22.594 35.760 1.00 18.01 N +ATOM 661 CA ALA B 191 17.298 22.757 36.874 1.00 19.35 C +ATOM 662 C ALA B 191 18.772 22.671 36.435 1.00 19.16 C +ATOM 663 O ALA B 191 19.615 23.460 36.883 1.00 20.41 O +ATOM 664 CB ALA B 191 16.982 21.712 37.946 1.00 19.19 C +ATOM 665 N VAL B 192 19.098 21.747 35.526 1.00 19.13 N +ATOM 666 CA VAL B 192 20.472 21.649 35.023 1.00 19.03 C +ATOM 667 C VAL B 192 20.799 22.900 34.196 1.00 20.06 C +ATOM 668 O VAL B 192 21.871 23.490 34.369 1.00 20.24 O +ATOM 669 CB VAL B 192 20.672 20.378 34.166 1.00 19.08 C +ATOM 670 CG1 VAL B 192 22.023 20.384 33.445 1.00 21.15 C +ATOM 671 CG2 VAL B 192 20.544 19.140 35.055 1.00 18.06 C +ATOM 672 N LEU B 193 19.866 23.304 33.348 1.00 19.97 N +ATOM 673 CA LEU B 193 20.093 24.487 32.486 1.00 21.28 C +ATOM 674 C LEU B 193 20.258 25.774 33.285 1.00 22.32 C +ATOM 675 O LEU B 193 21.015 26.685 32.873 1.00 23.67 O +ATOM 676 CB LEU B 193 18.985 24.638 31.471 1.00 21.41 C +ATOM 677 CG LEU B 193 18.990 23.568 30.376 1.00 21.08 C +ATOM 678 CD1 LEU B 193 17.707 23.736 29.562 1.00 18.99 C +ATOM 679 CD2 LEU B 193 20.309 23.623 29.531 1.00 19.30 C +ATOM 680 N LYS B 194 19.584 25.853 34.433 1.00 22.65 N +ATOM 681 CA LYS B 194 19.690 27.037 35.299 1.00 24.49 C +ATOM 682 C LYS B 194 20.904 26.972 36.221 1.00 25.13 C +ATOM 683 O LYS B 194 21.109 27.877 37.050 1.00 27.52 O +ATOM 684 CB LYS B 194 18.425 27.215 36.146 1.00 23.32 C +ATOM 685 CG LYS B 194 17.206 27.644 35.387 1.00 25.20 C +ATOM 686 CD LYS B 194 15.987 27.621 36.298 1.00 28.52 C +ATOM 687 CE LYS B 194 14.746 28.106 35.577 1.00 33.37 C +ATOM 688 NZ LYS B 194 13.466 27.705 36.262 1.00 35.86 N +ATOM 689 N GLY B 195 21.703 25.919 36.072 1.00 25.48 N +ATOM 690 CA GLY B 195 22.872 25.651 36.904 1.00 26.78 C +ATOM 691 C GLY B 195 22.532 25.499 38.375 1.00 27.89 C +ATOM 692 O GLY B 195 23.329 25.871 39.239 1.00 29.49 O +ATOM 693 N GLN B 196 21.342 24.975 38.665 1.00 27.50 N +ATOM 694 CA GLN B 196 20.925 24.723 40.046 1.00 28.25 C +ATOM 695 C GLN B 196 21.438 23.378 40.531 1.00 27.85 C +ATOM 696 O GLN B 196 21.677 23.195 41.740 1.00 28.89 O +ATOM 697 CB GLN B 196 19.412 24.769 40.184 1.00 28.29 C +ATOM 698 CG GLN B 196 18.800 26.162 39.989 1.00 29.59 C +ATOM 699 CD GLN B 196 17.281 26.124 39.888 1.00 30.01 C +ATOM 700 OE1 GLN B 196 16.693 25.088 39.585 1.00 32.75 O +ATOM 701 NE2 GLN B 196 16.638 27.265 40.133 1.00 34.14 N +ATOM 702 N VAL B 197 21.595 22.433 39.594 1.00 26.84 N +ATOM 703 CA VAL B 197 22.134 21.101 39.885 1.00 26.00 C +ATOM 704 C VAL B 197 23.068 20.626 38.771 1.00 26.36 C +ATOM 705 O VAL B 197 22.986 21.123 37.645 1.00 26.70 O +ATOM 706 CB VAL B 197 21.004 20.030 40.082 1.00 26.16 C +ATOM 707 CG1 VAL B 197 20.118 20.380 41.251 1.00 26.12 C +ATOM 708 CG2 VAL B 197 20.170 19.848 38.801 1.00 25.14 C +ATOM 709 N GLU B 198 23.916 19.648 39.079 1.00 25.82 N +ATOM 710 CA GLU B 198 24.935 19.163 38.161 1.00 26.24 C +ATOM 711 C GLU B 198 24.319 18.229 37.115 1.00 24.87 C +ATOM 712 O GLU B 198 24.626 18.328 35.928 1.00 25.21 O +ATOM 713 CB GLU B 198 26.008 18.426 38.948 1.00 27.69 C +ATOM 714 CG GLU B 198 27.176 17.893 38.170 1.00 31.99 C +ATOM 715 CD GLU B 198 28.139 17.146 39.077 1.00 38.03 C +ATOM 716 OE1 GLU B 198 27.876 15.953 39.383 1.00 40.79 O +ATOM 717 OE2 GLU B 198 29.147 17.761 39.495 1.00 41.23 O +ATOM 718 N THR B 199 23.473 17.313 37.579 1.00 22.68 N +ATOM 719 CA THR B 199 22.819 16.330 36.707 1.00 20.73 C +ATOM 720 C THR B 199 21.372 16.129 37.091 1.00 20.26 C +ATOM 721 O THR B 199 20.931 16.522 38.179 1.00 18.54 O +ATOM 722 CB THR B 199 23.489 14.930 36.795 1.00 20.74 C +ATOM 723 OG1 THR B 199 23.013 14.250 37.966 1.00 20.68 O +ATOM 724 CG2 THR B 199 25.015 15.028 36.825 1.00 24.50 C +ATOM 725 N ILE B 200 20.615 15.466 36.223 1.00 18.62 N +ATOM 726 CA ILE B 200 19.187 15.333 36.479 1.00 18.36 C +ATOM 727 C ILE B 200 18.884 14.378 37.653 1.00 19.05 C +ATOM 728 O ILE B 200 17.731 14.315 38.097 1.00 18.97 O +ATOM 729 CB ILE B 200 18.394 14.885 35.245 1.00 17.46 C +ATOM 730 CG1 ILE B 200 18.879 13.512 34.752 1.00 18.14 C +ATOM 731 CG2 ILE B 200 18.437 15.951 34.142 1.00 17.60 C +ATOM 732 CD1 ILE B 200 17.865 12.820 33.938 1.00 18.14 C +ATOM 733 N VAL B 201 19.893 13.645 38.120 1.00 18.98 N +ATOM 734 CA VAL B 201 19.708 12.748 39.282 1.00 20.84 C +ATOM 735 C VAL B 201 20.459 13.285 40.514 1.00 22.05 C +ATOM 736 O VAL B 201 20.640 12.586 41.510 1.00 22.27 O +ATOM 737 CB VAL B 201 20.077 11.255 38.976 1.00 20.93 C +ATOM 738 CG1 VAL B 201 19.033 10.633 38.023 1.00 21.59 C +ATOM 739 CG2 VAL B 201 21.504 11.167 38.407 1.00 21.90 C +ATOM 740 N SER B 202 20.840 14.559 40.467 1.00 22.17 N +ATOM 741 CA SER B 202 21.514 15.192 41.589 1.00 23.75 C +ATOM 742 C SER B 202 20.499 15.631 42.653 1.00 24.64 C +ATOM 743 O SER B 202 20.423 16.805 43.025 1.00 24.61 O +ATOM 744 CB SER B 202 22.380 16.356 41.090 1.00 22.90 C +ATOM 745 OG SER B 202 23.418 15.884 40.249 1.00 25.93 O +ATOM 746 N PHE B 203 19.709 14.672 43.135 1.00 25.97 N +ATOM 747 CA PHE B 203 18.656 14.961 44.111 1.00 26.81 C +ATOM 748 C PHE B 203 19.218 15.549 45.370 1.00 27.05 C +ATOM 749 O PHE B 203 20.348 15.250 45.759 1.00 27.76 O +ATOM 750 CB PHE B 203 17.924 13.691 44.486 1.00 27.10 C +ATOM 751 CG PHE B 203 17.290 13.037 43.335 1.00 27.89 C +ATOM 752 CD1 PHE B 203 16.156 13.586 42.747 1.00 28.02 C +ATOM 753 CD2 PHE B 203 17.840 11.881 42.802 1.00 28.37 C +ATOM 754 CE1 PHE B 203 15.572 12.974 41.638 1.00 30.04 C +ATOM 755 CE2 PHE B 203 17.251 11.274 41.714 1.00 28.51 C +ATOM 756 CZ PHE B 203 16.123 11.810 41.142 1.00 28.80 C +ATOM 757 N HIS B 204 18.404 16.394 45.986 1.00 27.66 N +ATOM 758 CA HIS B 204 18.806 17.110 47.190 1.00 28.08 C +ATOM 759 C HIS B 204 17.586 17.583 47.973 1.00 28.87 C +ATOM 760 O HIS B 204 16.423 17.467 47.538 1.00 26.78 O +ATOM 761 CB HIS B 204 19.684 18.299 46.812 1.00 28.64 C +ATOM 762 CG HIS B 204 18.960 19.344 46.024 1.00 28.56 C +ATOM 763 ND1 HIS B 204 18.891 19.315 44.648 1.00 30.26 N +ATOM 764 CD2 HIS B 204 18.247 20.428 46.416 1.00 29.21 C +ATOM 765 CE1 HIS B 204 18.192 20.354 44.223 1.00 30.02 C +ATOM 766 NE2 HIS B 204 17.778 21.036 45.278 1.00 31.60 N +ATOM 767 N ILE B 205 17.874 18.156 49.134 1.00 29.60 N +ATOM 768 CA ILE B 205 16.830 18.612 50.020 1.00 31.60 C +ATOM 769 C ILE B 205 16.934 20.131 50.191 1.00 32.67 C +ATOM 770 O ILE B 205 18.044 20.676 50.305 1.00 34.40 O +ATOM 771 CB ILE B 205 16.933 17.873 51.374 1.00 31.15 C +ATOM 772 CG1 ILE B 205 15.639 18.005 52.178 1.00 31.12 C +ATOM 773 CG2 ILE B 205 18.162 18.314 52.144 1.00 32.05 C +ATOM 774 CD1 ILE B 205 14.554 17.026 51.697 1.00 33.06 C +ATOM 775 OXT ILE B 205 15.931 20.859 50.200 1.00 33.38 O Added: SwiftApps/modFTdock/input/indata/2vwr-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2vwr-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2vwr-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,730 @@ +ATOM 1 N SER A -1 20.128 12.809 24.526 1.00 19.40 N +ATOM 2 CA SER A -1 20.938 12.899 23.283 1.00 14.62 C +ATOM 3 C SER A -1 20.052 13.074 22.065 1.00 13.47 C +ATOM 4 O SER A -1 18.834 12.879 22.117 1.00 15.69 O +ATOM 5 CB SER A -1 21.786 11.646 23.101 1.00 17.49 C +ATOM 6 OG SER A -1 20.984 10.481 22.955 1.00 25.56 O +ATOM 7 N MET A 0 20.684 13.412 20.957 1.00 10.92 N +ATOM 8 CA MET A 0 20.000 13.465 19.689 1.00 9.70 C +ATOM 9 C MET A 0 20.956 13.195 18.552 1.00 9.06 C +ATOM 10 O MET A 0 22.158 13.370 18.682 1.00 13.20 O +ATOM 11 CB MET A 0 19.319 14.815 19.493 1.00 12.91 C +ATOM 12 CG MET A 0 20.286 15.963 19.402 1.00 15.71 C +ATOM 13 SD MET A 0 19.467 17.568 19.366 1.00 19.52 S +ATOM 14 CE MET A 0 18.819 17.665 21.032 1.00 31.08 C +ATOM 15 N GLU A 336 20.384 12.759 17.442 1.00 7.47 N +ATOM 16 CA GLU A 336 21.090 12.632 16.203 1.00 7.61 C +ATOM 17 C GLU A 336 20.689 13.781 15.297 1.00 8.80 C +ATOM 18 O GLU A 336 19.509 14.082 15.173 1.00 10.63 O +ATOM 19 CB GLU A 336 20.756 11.297 15.535 1.00 9.77 C +ATOM 20 CG GLU A 336 21.552 11.077 14.264 1.00 14.79 C +ATOM 21 CD GLU A 336 21.122 9.855 13.502 1.00 26.53 C +ATOM 22 OE1 GLU A 336 20.303 9.074 14.028 1.00 31.96 O +ATOM 23 OE2 GLU A 336 21.613 9.684 12.363 1.00 32.73 O +ATOM 24 N ILE A 337 21.679 14.418 14.693 1.00 7.18 N +ATOM 25 CA ILE A 337 21.451 15.424 13.665 1.00 7.38 C +ATOM 26 C ILE A 337 21.801 14.808 12.341 1.00 7.35 C +ATOM 27 O ILE A 337 22.895 14.249 12.178 1.00 9.86 O +ATOM 28 CB ILE A 337 22.306 16.675 13.857 1.00 9.41 C +ATOM 29 CG1 ILE A 337 22.197 17.198 15.271 1.00 12.88 C +ATOM 30 CG2 ILE A 337 21.949 17.745 12.806 1.00 11.50 C +ATOM 31 CD1 ILE A 337 20.874 17.635 15.639 1.00 14.81 C +ATOM 32 N LEU A 338 20.875 14.902 11.402 1.00 7.58 N +ATOM 33 CA LEU A 338 21.132 14.378 10.062 1.00 8.65 C +ATOM 34 C LEU A 338 20.456 15.222 8.993 1.00 7.20 C +ATOM 35 O LEU A 338 19.584 16.031 9.280 1.00 8.46 O +ATOM 36 CB LEU A 338 20.731 12.925 9.943 1.00 13.90 C +ATOM 37 CG LEU A 338 19.252 12.666 10.057 1.00 13.10 C +ATOM 38 CD1 LEU A 338 18.882 11.388 9.287 1.00 20.34 C +ATOM 39 CD2 LEU A 338 18.772 12.562 11.493 1.00 19.29 C +ATOM 40 N GLN A 339 20.928 15.069 7.768 1.00 7.20 N +ATOM 41 CA GLN A 339 20.395 15.791 6.642 1.00 7.97 C +ATOM 42 C GLN A 339 19.774 14.804 5.678 1.00 8.78 C +ATOM 43 O GLN A 339 20.362 13.773 5.376 1.00 12.62 O +ATOM 44 CB GLN A 339 21.472 16.631 5.956 1.00 11.22 C +ATOM 45 CG GLN A 339 22.010 17.704 6.886 1.00 17.34 C +ATOM 46 CD GLN A 339 22.853 18.757 6.211 1.00 25.58 C +ATOM 47 OE1 GLN A 339 22.673 19.078 5.034 1.00 22.54 O +ATOM 48 NE2 GLN A 339 23.778 19.328 6.973 1.00 35.80 N +ATOM 49 N VAL A 340 18.567 15.128 5.237 1.00 6.69 N +ATOM 50 CA VAL A 340 17.825 14.314 4.312 1.00 6.49 C +ATOM 51 C VAL A 340 17.450 15.146 3.110 1.00 6.92 C +ATOM 52 O VAL A 340 16.765 16.128 3.242 1.00 9.54 O +ATOM 53 CB VAL A 340 16.555 13.757 4.961 1.00 7.24 C +ATOM 54 CG1 VAL A 340 15.691 13.030 3.954 1.00 9.62 C +ATOM 55 CG2 VAL A 340 16.911 12.821 6.122 1.00 9.31 C +ATOM 56 N ALA A 341 17.874 14.713 1.934 1.00 7.20 N +ATOM 57 CA ALA A 341 17.555 15.401 0.689 1.00 8.32 C +ATOM 58 C ALA A 341 16.514 14.615 -0.079 1.00 7.94 C +ATOM 59 O ALA A 341 16.711 13.451 -0.375 1.00 12.11 O +ATOM 60 CB ALA A 341 18.823 15.574 -0.152 1.00 12.50 C +ATOM 61 N LEU A 342 15.396 15.253 -0.365 1.00 7.05 N +ATOM 62 CA LEU A 342 14.331 14.704 -1.186 1.00 7.53 C +ATOM 63 C LEU A 342 14.296 15.466 -2.509 1.00 6.69 C +ATOM 64 O LEU A 342 14.683 16.629 -2.573 1.00 9.96 O +ATOM 65 CB LEU A 342 12.989 14.824 -0.479 1.00 7.05 C +ATOM 66 CG LEU A 342 12.915 14.175 0.902 1.00 6.94 C +ATOM 67 CD1 LEU A 342 11.557 14.422 1.532 1.00 10.28 C +ATOM 68 CD2 LEU A 342 13.241 12.665 0.874 1.00 9.01 C +ATOM 69 N HIS A 343 13.820 14.806 -3.557 1.00 7.45 N +ATOM 70 CA HIS A 343 13.788 15.443 -4.867 1.00 8.58 C +ATOM 71 C HIS A 343 12.402 15.443 -5.494 1.00 7.84 C +ATOM 72 O HIS A 343 11.834 14.379 -5.778 1.00 11.03 O +ATOM 73 CB HIS A 343 14.817 14.786 -5.773 1.00 10.46 C +ATOM 74 CG HIS A 343 16.223 15.001 -5.303 1.00 12.40 C +ATOM 75 ND1 HIS A 343 16.996 16.053 -5.741 1.00 16.70 N +ATOM 76 CD2 HIS A 343 16.965 14.349 -4.376 1.00 19.64 C +ATOM 77 CE1 HIS A 343 18.175 16.010 -5.143 1.00 18.81 C +ATOM 78 NE2 HIS A 343 18.179 14.989 -4.305 1.00 19.15 N +ATOM 79 N LYS A 344 11.837 16.643 -5.638 1.00 9.81 N +ATOM 80 CA LYS A 344 10.512 16.790 -6.253 1.00 10.04 C +ATOM 81 C LYS A 344 10.588 16.474 -7.733 1.00 12.69 C +ATOM 82 O LYS A 344 11.432 17.042 -8.419 1.00 14.69 O +ATOM 83 CB LYS A 344 9.985 18.217 -6.073 1.00 12.34 C +ATOM 84 CG LYS A 344 9.686 18.625 -4.623 1.00 12.62 C +ATOM 85 CD LYS A 344 8.576 19.704 -4.546 1.00 31.05 C +ATOM 86 CE LYS A 344 8.996 21.073 -5.051 1.00 24.45 C +ATOM 87 NZ LYS A 344 8.322 22.218 -4.361 1.00 21.96 N +ATOM 88 N ARG A 345 9.704 15.604 -8.215 1.00 13.65 N +ATOM 89 CA ARG A 345 9.688 15.217 -9.636 1.00 17.02 C +ATOM 90 C ARG A 345 8.948 16.257 -10.475 1.00 17.99 C +ATOM 91 O ARG A 345 9.156 16.335 -11.696 1.00 22.78 O +ATOM 92 CB ARG A 345 9.080 13.819 -9.812 1.00 18.82 C +ATOM 93 CG ARG A 345 9.882 12.720 -9.103 1.00 23.83 C +ATOM 94 CD ARG A 345 10.108 11.497 -9.984 1.00 35.96 C +ATOM 95 NE ARG A 345 10.943 10.483 -9.336 1.00 41.80 N +ATOM 96 CZ ARG A 345 11.421 9.393 -9.940 1.00 38.74 C +ATOM 97 NH1 ARG A 345 11.158 9.156 -11.222 1.00 41.88 N +ATOM 98 NH2 ARG A 345 12.172 8.530 -9.257 1.00 33.93 N +ATOM 99 N ASP A 346 8.081 17.035 -9.822 1.00 16.60 N +ATOM 100 CA ASP A 346 7.475 18.241 -10.404 1.00 17.38 C +ATOM 101 C ASP A 346 7.449 19.320 -9.327 1.00 14.18 C +ATOM 102 O ASP A 346 7.531 19.010 -8.142 1.00 14.00 O +ATOM 103 CB ASP A 346 6.064 17.959 -10.970 1.00 19.09 C +ATOM 104 CG ASP A 346 5.028 17.642 -9.898 1.00 19.81 C +ATOM 105 OD1 ASP A 346 4.382 18.582 -9.384 1.00 22.06 O +ATOM 106 OD2 ASP A 346 4.810 16.436 -9.621 1.00 23.43 O +ATOM 107 N SER A 347 7.329 20.578 -9.725 1.00 13.19 N +ATOM 108 CA SER A 347 7.384 21.702 -8.783 1.00 13.78 C +ATOM 109 C SER A 347 6.252 21.710 -7.764 1.00 11.76 C +ATOM 110 O SER A 347 6.341 22.373 -6.725 1.00 14.54 O +ATOM 111 CB SER A 347 7.433 23.044 -9.519 1.00 14.22 C +ATOM 112 OG SER A 347 6.243 23.269 -10.244 1.00 16.20 O +ATOM 113 N GLY A 348 5.172 20.998 -8.084 1.00 11.38 N +ATOM 114 CA GLY A 348 4.049 20.871 -7.180 1.00 10.63 C +ATOM 115 C GLY A 348 3.987 19.585 -6.383 1.00 10.54 C +ATOM 116 O GLY A 348 2.994 19.372 -5.694 1.00 11.58 O +ATOM 117 N GLU A 349 5.011 18.735 -6.462 1.00 10.14 N +ATOM 118 CA GLU A 349 4.979 17.475 -5.723 1.00 10.90 C +ATOM 119 C GLU A 349 5.094 17.732 -4.229 1.00 11.70 C +ATOM 120 O GLU A 349 5.900 18.539 -3.792 1.00 12.51 O +ATOM 121 CB GLU A 349 6.077 16.500 -6.154 1.00 11.37 C +ATOM 122 CG GLU A 349 5.878 15.118 -5.509 1.00 13.41 C +ATOM 123 CD GLU A 349 6.796 14.031 -6.016 1.00 14.39 C +ATOM 124 OE1 GLU A 349 7.821 14.327 -6.657 1.00 17.24 O +ATOM 125 OE2 GLU A 349 6.498 12.847 -5.728 1.00 19.88 O +ATOM 126 N GLN A 350 4.285 17.037 -3.431 1.00 13.12 N +ATOM 127 CA GLN A 350 4.419 17.166 -1.988 1.00 13.43 C +ATOM 128 C GLN A 350 5.510 16.223 -1.502 1.00 9.97 C +ATOM 129 O GLN A 350 5.923 15.294 -2.196 1.00 11.21 O +ATOM 130 CB GLN A 350 3.109 16.888 -1.274 1.00 17.00 C +ATOM 131 CG AGLN A 350 2.086 17.994 -1.457 0.50 13.19 C +ATOM 132 CD AGLN A 350 0.701 17.540 -1.069 0.50 12.56 C +ATOM 133 OE1AGLN A 350 0.216 16.501 -1.557 0.50 18.97 O +ATOM 134 NE2AGLN A 350 0.049 18.301 -0.192 0.50 15.21 N +ATOM 135 N LEU A 351 5.980 16.475 -0.298 1.00 9.09 N +ATOM 136 CA LEU A 351 7.002 15.642 0.309 1.00 7.79 C +ATOM 137 C LEU A 351 6.406 14.423 0.970 1.00 6.95 C +ATOM 138 O LEU A 351 7.112 13.436 1.174 1.00 7.83 O +ATOM 139 CB LEU A 351 7.785 16.430 1.341 1.00 10.03 C +ATOM 140 CG LEU A 351 8.464 17.680 0.774 1.00 13.65 C +ATOM 141 CD1 LEU A 351 9.327 18.337 1.851 1.00 16.68 C +ATOM 142 CD2 LEU A 351 9.285 17.333 -0.465 1.00 14.79 C +ATOM 143 N GLY A 352 5.127 14.475 1.336 1.00 6.45 N +ATOM 144 CA GLY A 352 4.529 13.361 2.072 1.00 5.80 C +ATOM 145 C GLY A 352 4.856 13.345 3.551 1.00 5.53 C +ATOM 146 O GLY A 352 5.144 12.296 4.119 1.00 6.57 O +ATOM 147 N ILE A 353 4.790 14.519 4.179 1.00 6.22 N +ATOM 148 CA ILE A 353 5.150 14.697 5.587 1.00 6.82 C +ATOM 149 C ILE A 353 4.027 15.459 6.274 1.00 6.99 C +ATOM 150 O ILE A 353 3.566 16.461 5.762 1.00 9.28 O +ATOM 151 CB ILE A 353 6.489 15.508 5.743 1.00 8.22 C +ATOM 152 CG1 ILE A 353 7.649 14.867 4.981 1.00 9.99 C +ATOM 153 CG2 ILE A 353 6.832 15.684 7.223 1.00 12.01 C +ATOM 154 CD1 ILE A 353 8.873 15.766 4.839 1.00 13.13 C +ATOM 155 N LYS A 354 3.586 14.957 7.413 1.00 7.07 N +ATOM 156 CA LYS A 354 2.690 15.683 8.288 1.00 6.19 C +ATOM 157 C LYS A 354 3.510 16.425 9.341 1.00 8.23 C +ATOM 158 O LYS A 354 4.179 15.810 10.163 1.00 8.25 O +ATOM 159 CB LYS A 354 1.699 14.734 8.954 1.00 8.22 C +ATOM 160 CG LYS A 354 0.953 13.836 7.994 1.00 15.14 C +ATOM 161 CD LYS A 354 -0.238 13.152 8.664 1.00 20.17 C +ATOM 162 CE LYS A 354 -0.766 11.971 7.851 1.00 17.14 C +ATOM 163 NZ LYS A 354 -1.781 11.169 8.587 1.00 23.82 N +ATOM 164 N LEU A 355 3.477 17.754 9.278 1.00 6.53 N +ATOM 165 CA LEU A 355 4.253 18.608 10.175 1.00 7.05 C +ATOM 166 C LEU A 355 3.340 19.222 11.220 1.00 6.95 C +ATOM 167 O LEU A 355 2.267 19.693 10.894 1.00 8.65 O +ATOM 168 CB LEU A 355 4.977 19.717 9.405 1.00 9.04 C +ATOM 169 CG LEU A 355 6.120 19.350 8.473 1.00 11.98 C +ATOM 170 CD1 LEU A 355 6.685 20.618 7.819 1.00 16.38 C +ATOM 171 CD2 LEU A 355 7.190 18.609 9.229 1.00 12.08 C +ATOM 172 N VAL A 356 3.808 19.255 12.458 1.00 6.35 N +ATOM 173 CA VAL A 356 3.041 19.777 13.571 1.00 6.35 C +ATOM 174 C VAL A 356 3.855 20.658 14.495 1.00 6.32 C +ATOM 175 O VAL A 356 5.072 20.554 14.588 1.00 7.02 O +ATOM 176 CB VAL A 356 2.419 18.631 14.430 1.00 7.14 C +ATOM 177 CG1 VAL A 356 1.471 17.776 13.574 1.00 10.40 C +ATOM 178 CG2 VAL A 356 3.466 17.784 15.139 1.00 8.76 C +ATOM 179 N ARG A 357 3.147 21.542 15.177 1.00 6.06 N +ATOM 180 CA ARG A 357 3.667 22.214 16.353 1.00 6.42 C +ATOM 181 C ARG A 357 3.277 21.419 17.588 1.00 7.93 C +ATOM 182 O ARG A 357 2.320 20.643 17.569 1.00 10.12 O +ATOM 183 CB ARG A 357 3.154 23.651 16.436 1.00 7.91 C +ATOM 184 CG ARG A 357 1.670 23.812 16.738 1.00 8.11 C +ATOM 185 CD ARG A 357 1.240 25.229 16.426 1.00 11.78 C +ATOM 186 NE ARG A 357 -0.147 25.442 16.818 1.00 11.84 N +ATOM 187 CZ ARG A 357 -0.924 26.419 16.356 1.00 13.32 C +ATOM 188 NH1 ARG A 357 -0.470 27.304 15.491 1.00 13.58 N +ATOM 189 NH2 ARG A 357 -2.176 26.505 16.774 1.00 15.33 N +ATOM 190 N ARG A 358 4.018 21.637 18.670 1.00 7.87 N +ATOM 191 CA ARG A 358 3.751 20.948 19.936 1.00 10.55 C +ATOM 192 C ARG A 358 3.407 21.916 21.018 1.00 12.37 C +ATOM 193 O ARG A 358 3.895 23.032 21.024 1.00 12.41 O +ATOM 194 CB ARG A 358 4.972 20.177 20.387 1.00 11.13 C +ATOM 195 CG ARG A 358 5.165 18.961 19.570 1.00 14.31 C +ATOM 196 CD ARG A 358 6.317 18.166 20.053 1.00 14.64 C +ATOM 197 NE ARG A 358 6.432 16.964 19.256 1.00 20.85 N +ATOM 198 CZ ARG A 358 7.389 16.056 19.399 1.00 21.75 C +ATOM 199 NH1 ARG A 358 8.324 16.190 20.332 1.00 26.11 N +ATOM 200 NH2 ARG A 358 7.410 15.002 18.596 1.00 19.78 N +ATOM 201 N THR A 359 2.593 21.449 21.958 1.00 13.46 N +ATOM 202 CA THR A 359 2.064 22.292 23.024 1.00 16.07 C +ATOM 203 C THR A 359 3.003 22.470 24.213 1.00 14.82 C +ATOM 204 O THR A 359 2.719 23.286 25.078 1.00 19.95 O +ATOM 205 CB THR A 359 0.724 21.742 23.541 1.00 15.98 C +ATOM 206 OG1 THR A 359 0.901 20.365 23.892 1.00 20.67 O +ATOM 207 CG2 THR A 359 -0.319 21.846 22.445 1.00 18.95 C +ATOM 208 N ASP A 360 4.122 21.754 24.245 1.00 16.37 N +ATOM 209 CA ASP A 360 5.000 21.772 25.411 1.00 18.65 C +ATOM 210 C ASP A 360 6.472 21.999 25.078 1.00 17.69 C +ATOM 211 O ASP A 360 7.320 21.926 25.961 1.00 20.53 O +ATOM 212 CB ASP A 360 4.850 20.464 26.181 1.00 23.44 C +ATOM 213 CG ASP A 360 5.179 19.239 25.334 1.00 31.95 C +ATOM 214 OD1 ASP A 360 5.466 19.385 24.118 1.00 29.18 O +ATOM 215 OD2 ASP A 360 5.137 18.121 25.887 1.00 45.79 O +ATOM 216 N GLU A 361 6.790 22.264 23.815 1.00 15.18 N +ATOM 217 CA GLU A 361 8.160 22.554 23.416 1.00 15.75 C +ATOM 218 C GLU A 361 8.153 23.236 22.054 1.00 13.50 C +ATOM 219 O GLU A 361 7.240 23.042 21.248 1.00 11.92 O +ATOM 220 CB GLU A 361 8.999 21.268 23.355 1.00 17.87 C +ATOM 221 CG GLU A 361 8.564 20.268 22.295 1.00 15.99 C +ATOM 222 CD GLU A 361 9.431 19.010 22.286 1.00 17.81 C +ATOM 223 OE1 GLU A 361 10.659 19.146 22.161 1.00 25.99 O +ATOM 224 OE2 GLU A 361 8.881 17.905 22.411 1.00 32.00 O +ATOM 225 N PRO A 362 9.178 24.036 21.791 1.00 11.31 N +ATOM 226 CA PRO A 362 9.234 24.766 20.542 1.00 9.48 C +ATOM 227 C PRO A 362 9.672 23.871 19.401 1.00 10.21 C +ATOM 228 O PRO A 362 10.263 22.802 19.630 1.00 10.48 O +ATOM 229 CB PRO A 362 10.283 25.836 20.815 1.00 13.51 C +ATOM 230 CG PRO A 362 11.215 25.168 21.786 1.00 13.32 C +ATOM 231 CD PRO A 362 10.337 24.320 22.656 1.00 13.95 C +ATOM 232 N GLY A 363 9.388 24.307 18.178 1.00 8.28 N +ATOM 233 CA GLY A 363 9.868 23.605 17.007 1.00 8.52 C +ATOM 234 C GLY A 363 8.771 23.103 16.084 1.00 7.13 C +ATOM 235 O GLY A 363 7.579 23.153 16.414 1.00 7.59 O +ATOM 236 N VAL A 364 9.206 22.606 14.930 1.00 6.41 N +ATOM 237 CA VAL A 364 8.341 21.984 13.950 1.00 6.55 C +ATOM 238 C VAL A 364 8.734 20.517 13.912 1.00 5.36 C +ATOM 239 O VAL A 364 9.921 20.186 13.789 1.00 6.15 O +ATOM 240 CB VAL A 364 8.562 22.633 12.560 1.00 9.09 C +ATOM 241 CG1 VAL A 364 7.696 21.998 11.538 1.00 11.32 C +ATOM 242 CG2 VAL A 364 8.330 24.131 12.631 1.00 12.01 C +ATOM 243 N PHE A 365 7.745 19.636 14.012 1.00 5.13 N +ATOM 244 CA PHE A 365 7.985 18.206 14.179 1.00 6.39 C +ATOM 245 C PHE A 365 7.260 17.401 13.145 1.00 6.13 C +ATOM 246 O PHE A 365 6.154 17.747 12.715 1.00 8.29 O +ATOM 247 CB PHE A 365 7.554 17.743 15.584 1.00 6.64 C +ATOM 248 CG PHE A 365 8.328 18.414 16.676 1.00 6.56 C +ATOM 249 CD1 PHE A 365 9.453 17.844 17.194 1.00 6.87 C +ATOM 250 CD2 PHE A 365 7.922 19.638 17.169 1.00 6.58 C +ATOM 251 CE1 PHE A 365 10.178 18.486 18.181 1.00 8.33 C +ATOM 252 CE2 PHE A 365 8.641 20.269 18.156 1.00 8.36 C +ATOM 253 CZ PHE A 365 9.765 19.681 18.653 1.00 8.49 C +ATOM 254 N ILE A 366 7.866 16.282 12.766 1.00 5.72 N +ATOM 255 CA ILE A 366 7.185 15.310 11.921 1.00 5.98 C +ATOM 256 C ILE A 366 6.274 14.467 12.801 1.00 7.53 C +ATOM 257 O ILE A 366 6.726 13.828 13.751 1.00 8.02 O +ATOM 258 CB ILE A 366 8.192 14.401 11.195 1.00 6.56 C +ATOM 259 CG1 ILE A 366 9.084 15.265 10.320 1.00 7.81 C +ATOM 260 CG2 ILE A 366 7.493 13.339 10.346 1.00 8.37 C +ATOM 261 CD1 ILE A 366 10.065 14.515 9.462 1.00 9.96 C +ATOM 262 N LEU A 367 4.981 14.441 12.481 1.00 6.69 N +ATOM 263 CA LEU A 367 4.062 13.561 13.167 1.00 9.23 C +ATOM 264 C LEU A 367 4.149 12.162 12.550 1.00 8.28 C +ATOM 265 O LEU A 367 4.259 11.163 13.265 1.00 9.20 O +ATOM 266 CB LEU A 367 2.651 14.122 13.100 1.00 9.63 C +ATOM 267 CG LEU A 367 1.589 13.339 13.869 1.00 10.85 C +ATOM 268 CD1 LEU A 367 1.808 13.508 15.371 1.00 13.84 C +ATOM 269 CD2 LEU A 367 0.192 13.819 13.461 1.00 17.22 C +ATOM 270 N ASP A 368 4.066 12.102 11.222 1.00 8.00 N +ATOM 271 CA ASP A 368 4.172 10.849 10.482 1.00 8.97 C +ATOM 272 C ASP A 368 4.374 11.200 9.011 1.00 7.38 C +ATOM 273 O ASP A 368 4.342 12.361 8.636 1.00 7.85 O +ATOM 274 CB ASP A 368 2.937 9.975 10.701 1.00 15.92 C +ATOM 275 CG ASP A 368 1.688 10.662 10.296 1.00 18.18 C +ATOM 276 OD1 ASP A 368 1.592 10.998 9.115 1.00 27.37 O +ATOM 277 OD2 ASP A 368 0.793 10.869 11.145 1.00 37.45 O +ATOM 278 N LEU A 369 4.617 10.172 8.213 1.00 9.96 N +ATOM 279 CA LEU A 369 4.789 10.277 6.792 1.00 9.02 C +ATOM 280 C LEU A 369 3.575 9.694 6.086 1.00 10.85 C +ATOM 281 O LEU A 369 2.923 8.753 6.590 1.00 16.71 O +ATOM 282 CB LEU A 369 6.040 9.523 6.346 1.00 9.54 C +ATOM 283 CG LEU A 369 7.348 9.882 7.039 1.00 11.95 C +ATOM 284 CD1 LEU A 369 8.469 9.086 6.358 1.00 12.55 C +ATOM 285 CD2 LEU A 369 7.634 11.373 6.998 1.00 10.74 C +ATOM 286 N LEU A 370 3.267 10.244 4.924 1.00 10.18 N +ATOM 287 CA LEU A 370 2.173 9.751 4.101 1.00 9.91 C +ATOM 288 C LEU A 370 2.603 8.536 3.287 1.00 9.77 C +ATOM 289 O LEU A 370 3.694 8.497 2.729 1.00 9.19 O +ATOM 290 CB LEU A 370 1.680 10.825 3.129 1.00 11.13 C +ATOM 291 CG ALEU A 370 1.134 12.139 3.683 0.50 15.44 C +ATOM 292 CG BLEU A 370 0.968 12.064 3.714 0.50 17.99 C +ATOM 293 CD1ALEU A 370 0.485 12.974 2.576 0.50 17.87 C +ATOM 294 CD1BLEU A 370 1.609 12.601 4.995 0.50 15.38 C +ATOM 295 CD2ALEU A 370 0.158 11.845 4.773 0.50 17.28 C +ATOM 296 CD2BLEU A 370 0.866 13.175 2.664 0.50 22.58 C +ATOM 297 N GLU A 371 1.707 7.561 3.187 1.00 12.24 N +ATOM 298 CA GLU A 371 1.930 6.353 2.392 1.00 14.34 C +ATOM 299 C GLU A 371 2.369 6.686 0.979 1.00 13.82 C +ATOM 300 O GLU A 371 1.738 7.485 0.314 1.00 14.65 O +ATOM 301 CB GLU A 371 0.618 5.543 2.312 1.00 18.79 C +ATOM 302 CG GLU A 371 0.785 4.168 1.682 1.00 22.16 C +ATOM 303 CD GLU A 371 -0.488 3.358 1.710 1.00 31.25 C +ATOM 304 OE1 GLU A 371 -1.564 3.948 1.927 1.00 23.39 O +ATOM 305 OE2 GLU A 371 -0.412 2.128 1.508 1.00 44.28 O +ATOM 306 N GLY A 372 3.467 6.086 0.533 1.00 11.43 N +ATOM 307 CA GLY A 372 3.898 6.213 -0.864 1.00 14.98 C +ATOM 308 C GLY A 372 4.490 7.564 -1.252 1.00 12.08 C +ATOM 309 O GLY A 372 4.870 7.772 -2.408 1.00 13.34 O +ATOM 310 N GLY A 373 4.612 8.482 -0.299 1.00 9.86 N +ATOM 311 CA GLY A 373 5.146 9.787 -0.608 1.00 9.55 C +ATOM 312 C GLY A 373 6.653 9.766 -0.727 1.00 7.46 C +ATOM 313 O GLY A 373 7.303 8.764 -0.407 1.00 7.40 O +ATOM 314 N LEU A 374 7.222 10.891 -1.146 1.00 7.62 N +ATOM 315 CA LEU A 374 8.672 10.979 -1.316 1.00 8.00 C +ATOM 316 C LEU A 374 9.398 10.637 -0.047 1.00 6.30 C +ATOM 317 O LEU A 374 10.426 9.958 -0.078 1.00 6.05 O +ATOM 318 CB LEU A 374 9.091 12.399 -1.714 1.00 10.73 C +ATOM 319 CG LEU A 374 8.977 12.843 -3.153 1.00 14.71 C +ATOM 320 CD1 LEU A 374 9.439 14.280 -3.194 1.00 13.54 C +ATOM 321 CD2 LEU A 374 9.823 11.953 -4.047 1.00 13.69 C +ATOM 322 N ALA A 375 8.923 11.169 1.076 1.00 6.10 N +ATOM 323 CA ALA A 375 9.617 10.951 2.343 1.00 5.50 C +ATOM 324 C ALA A 375 9.603 9.484 2.750 1.00 6.00 C +ATOM 325 O ALA A 375 10.614 8.938 3.177 1.00 5.85 O +ATOM 326 CB ALA A 375 9.039 11.836 3.429 1.00 6.62 C +ATOM 327 N ALA A 376 8.451 8.841 2.592 1.00 5.17 N +ATOM 328 CA ALA A 376 8.324 7.429 2.900 1.00 5.95 C +ATOM 329 C ALA A 376 9.207 6.590 1.979 1.00 6.68 C +ATOM 330 O ALA A 376 9.846 5.647 2.421 1.00 7.67 O +ATOM 331 CB ALA A 376 6.877 6.965 2.811 1.00 8.50 C +ATOM 332 N GLN A 377 9.239 6.927 0.693 1.00 6.75 N +ATOM 333 CA GLN A 377 10.080 6.208 -0.242 1.00 5.96 C +ATOM 334 C GLN A 377 11.545 6.330 0.121 1.00 5.84 C +ATOM 335 O GLN A 377 12.322 5.375 -0.015 1.00 6.68 O +ATOM 336 CB GLN A 377 9.884 6.725 -1.657 1.00 6.18 C +ATOM 337 CG GLN A 377 8.528 6.335 -2.259 1.00 8.92 C +ATOM 338 CD GLN A 377 8.364 6.902 -3.633 1.00 11.62 C +ATOM 339 OE1 GLN A 377 9.187 6.663 -4.520 1.00 14.68 O +ATOM 340 NE2 GLN A 377 7.314 7.675 -3.818 1.00 14.96 N +ATOM 341 N ASP A 378 11.944 7.519 0.550 1.00 5.19 N +ATOM 342 CA ASP A 378 13.315 7.747 0.941 1.00 5.40 C +ATOM 343 C ASP A 378 13.687 6.947 2.180 1.00 6.21 C +ATOM 344 O ASP A 378 14.794 6.435 2.255 1.00 7.92 O +ATOM 345 CB ASP A 378 13.577 9.248 1.150 1.00 5.38 C +ATOM 346 CG ASP A 378 14.928 9.517 1.707 1.00 7.25 C +ATOM 347 OD1 ASP A 378 15.893 9.620 0.899 1.00 7.92 O +ATOM 348 OD2 ASP A 378 15.039 9.605 2.962 1.00 7.45 O +ATOM 349 N GLY A 379 12.777 6.884 3.146 1.00 6.05 N +ATOM 350 CA GLY A 379 12.890 6.010 4.303 1.00 8.24 C +ATOM 351 C GLY A 379 13.464 6.635 5.554 1.00 8.42 C +ATOM 352 O GLY A 379 13.208 6.144 6.652 1.00 12.24 O +ATOM 353 N ARG A 380 14.251 7.704 5.407 1.00 6.54 N +ATOM 354 CA ARG A 380 15.018 8.218 6.545 1.00 8.04 C +ATOM 355 C ARG A 380 14.197 8.973 7.569 1.00 8.63 C +ATOM 356 O ARG A 380 14.369 8.776 8.766 1.00 13.68 O +ATOM 357 CB ARG A 380 16.169 9.085 6.066 1.00 7.42 C +ATOM 358 CG ARG A 380 17.222 8.284 5.355 1.00 9.19 C +ATOM 359 CD ARG A 380 18.320 9.143 4.763 1.00 9.89 C +ATOM 360 NE ARG A 380 17.874 9.848 3.578 1.00 8.34 N +ATOM 361 CZ ARG A 380 18.629 10.670 2.865 1.00 7.37 C +ATOM 362 NH1 ARG A 380 19.872 10.932 3.235 1.00 10.70 N +ATOM 363 NH2 ARG A 380 18.144 11.253 1.797 1.00 8.55 N +ATOM 364 N LEU A 381 13.341 9.866 7.116 1.00 7.63 N +ATOM 365 CA LEU A 381 12.584 10.684 8.035 1.00 7.29 C +ATOM 366 C LEU A 381 11.646 9.839 8.871 1.00 9.21 C +ATOM 367 O LEU A 381 11.231 8.751 8.454 1.00 11.25 O +ATOM 368 CB LEU A 381 11.816 11.766 7.291 1.00 7.30 C +ATOM 369 CG LEU A 381 12.687 12.823 6.589 1.00 8.01 C +ATOM 370 CD1 LEU A 381 11.836 13.663 5.678 1.00 10.86 C +ATOM 371 CD2 LEU A 381 13.434 13.710 7.580 1.00 9.67 C +ATOM 372 N SER A 382 11.325 10.343 10.062 1.00 7.94 N +ATOM 373 CA SER A 382 10.576 9.586 11.039 1.00 8.89 C +ATOM 374 C SER A 382 9.708 10.456 11.922 1.00 7.68 C +ATOM 375 O SER A 382 10.045 11.579 12.207 1.00 7.74 O +ATOM 376 CB SER A 382 11.569 8.839 11.926 1.00 10.93 C +ATOM 377 OG SER A 382 10.887 7.933 12.776 1.00 14.79 O +ATOM 378 N SER A 383 8.643 9.859 12.435 1.00 7.02 N +ATOM 379 CA SER A 383 7.847 10.451 13.491 1.00 7.93 C +ATOM 380 C SER A 383 8.764 10.917 14.610 1.00 6.25 C +ATOM 381 O SER A 383 9.705 10.210 14.994 1.00 8.15 O +ATOM 382 CB ASER A 383 6.847 9.400 13.997 0.50 7.51 C +ATOM 383 CB BSER A 383 6.831 9.449 14.047 0.50 7.96 C +ATOM 384 OG ASER A 383 5.958 9.906 14.963 0.50 6.38 O +ATOM 385 OG BSER A 383 7.493 8.347 14.647 0.50 13.69 O +ATOM 386 N ASN A 384 8.476 12.127 15.105 1.00 5.84 N +ATOM 387 CA ASN A 384 9.180 12.780 16.210 1.00 6.94 C +ATOM 388 C ASN A 384 10.454 13.506 15.833 1.00 6.49 C +ATOM 389 O ASN A 384 11.045 14.165 16.682 1.00 8.19 O +ATOM 390 CB ASN A 384 9.345 11.845 17.409 1.00 8.16 C +ATOM 391 CG ASN A 384 8.018 11.464 17.982 1.00 9.85 C +ATOM 392 OD1 ASN A 384 7.313 12.311 18.530 1.00 12.30 O +ATOM 393 ND2 ASN A 384 7.642 10.213 17.832 1.00 9.84 N +ATOM 394 N ASP A 385 10.845 13.450 14.563 1.00 6.15 N +ATOM 395 CA ASP A 385 11.970 14.223 14.106 1.00 5.99 C +ATOM 396 C ASP A 385 11.601 15.697 14.206 1.00 6.29 C +ATOM 397 O ASP A 385 10.491 16.107 13.839 1.00 6.95 O +ATOM 398 CB ASP A 385 12.290 13.888 12.648 1.00 6.83 C +ATOM 399 CG ASP A 385 13.037 12.585 12.472 1.00 8.10 C +ATOM 400 OD1 ASP A 385 13.484 11.982 13.468 1.00 8.15 O +ATOM 401 OD2 ASP A 385 13.210 12.189 11.298 1.00 8.89 O +ATOM 402 N ARG A 386 12.550 16.500 14.650 1.00 5.25 N +ATOM 403 CA ARG A 386 12.408 17.938 14.683 1.00 4.99 C +ATOM 404 C ARG A 386 13.100 18.513 13.447 1.00 4.96 C +ATOM 405 O ARG A 386 14.246 18.205 13.173 1.00 6.86 O +ATOM 406 CB ARG A 386 13.041 18.529 15.935 1.00 6.14 C +ATOM 407 CG ARG A 386 12.863 20.012 16.008 1.00 7.50 C +ATOM 408 CD ARG A 386 13.501 20.585 17.212 1.00 8.27 C +ATOM 409 NE ARG A 386 13.318 22.031 17.331 1.00 8.88 N +ATOM 410 CZ ARG A 386 13.737 22.686 18.396 1.00 11.23 C +ATOM 411 NH1 ARG A 386 14.346 22.016 19.366 1.00 16.53 N +ATOM 412 NH2 ARG A 386 13.543 23.977 18.514 1.00 13.37 N +ATOM 413 N VAL A 387 12.379 19.326 12.678 1.00 5.73 N +ATOM 414 CA VAL A 387 12.946 19.961 11.493 1.00 6.02 C +ATOM 415 C VAL A 387 13.643 21.257 11.915 1.00 5.20 C +ATOM 416 O VAL A 387 12.992 22.215 12.306 1.00 6.89 O +ATOM 417 CB VAL A 387 11.865 20.242 10.411 1.00 6.77 C +ATOM 418 CG1 VAL A 387 12.525 20.854 9.177 1.00 7.75 C +ATOM 419 CG2 VAL A 387 11.100 18.960 10.023 1.00 9.25 C +ATOM 420 N LEU A 388 14.971 21.250 11.874 1.00 4.90 N +ATOM 421 CA LEU A 388 15.774 22.399 12.259 1.00 5.97 C +ATOM 422 C LEU A 388 15.917 23.418 11.129 1.00 5.73 C +ATOM 423 O LEU A 388 16.055 24.599 11.409 1.00 6.02 O +ATOM 424 CB LEU A 388 17.164 21.952 12.706 1.00 6.50 C +ATOM 425 CG LEU A 388 17.211 21.067 13.939 1.00 7.90 C +ATOM 426 CD1 LEU A 388 18.665 20.650 14.173 1.00 10.54 C +ATOM 427 CD2 LEU A 388 16.639 21.761 15.161 1.00 12.65 C +ATOM 428 N ALA A 389 15.899 22.967 9.877 1.00 4.96 N +ATOM 429 CA ALA A 389 16.078 23.839 8.738 1.00 5.86 C +ATOM 430 C ALA A 389 15.613 23.097 7.501 1.00 4.94 C +ATOM 431 O ALA A 389 15.630 21.863 7.462 1.00 5.30 O +ATOM 432 CB ALA A 389 17.559 24.243 8.565 1.00 7.39 C +ATOM 433 N ILE A 390 15.205 23.857 6.494 1.00 4.78 N +ATOM 434 CA ILE A 390 14.911 23.339 5.159 1.00 5.74 C +ATOM 435 C ILE A 390 15.615 24.249 4.162 1.00 5.48 C +ATOM 436 O ILE A 390 15.437 25.465 4.181 1.00 5.95 O +ATOM 437 CB ILE A 390 13.401 23.285 4.848 1.00 7.45 C +ATOM 438 CG1 ILE A 390 12.699 22.291 5.772 1.00 8.31 C +ATOM 439 CG2 ILE A 390 13.155 22.833 3.436 1.00 7.99 C +ATOM 440 CD1 ILE A 390 11.186 22.199 5.602 1.00 11.74 C +ATOM 441 N ASN A 391 16.488 23.659 3.347 1.00 5.37 N +ATOM 442 CA ASN A 391 17.202 24.406 2.311 1.00 5.56 C +ATOM 443 C ASN A 391 17.968 25.593 2.877 1.00 5.61 C +ATOM 444 O ASN A 391 18.065 26.640 2.259 1.00 6.22 O +ATOM 445 CB ASN A 391 16.242 24.820 1.190 1.00 6.55 C +ATOM 446 CG ASN A 391 15.844 23.658 0.321 1.00 5.43 C +ATOM 447 OD1 ASN A 391 16.462 22.598 0.393 1.00 7.68 O +ATOM 448 ND2 ASN A 391 14.804 23.840 -0.499 1.00 9.08 N +ATOM 449 N GLY A 392 18.531 25.413 4.066 1.00 7.13 N +ATOM 450 CA GLY A 392 19.286 26.446 4.761 1.00 6.57 C +ATOM 451 C GLY A 392 18.476 27.481 5.496 1.00 6.87 C +ATOM 452 O GLY A 392 19.058 28.366 6.131 1.00 10.12 O +ATOM 453 N HIS A 393 17.151 27.403 5.379 1.00 5.84 N +ATOM 454 CA HIS A 393 16.246 28.308 6.057 1.00 6.38 C +ATOM 455 C HIS A 393 15.969 27.768 7.456 1.00 6.08 C +ATOM 456 O HIS A 393 15.431 26.677 7.615 1.00 7.61 O +ATOM 457 CB HIS A 393 14.923 28.422 5.291 1.00 7.41 C +ATOM 458 CG HIS A 393 15.059 28.970 3.905 1.00 9.29 C +ATOM 459 ND1 HIS A 393 14.673 30.244 3.565 1.00 15.26 N +ATOM 460 CD2 HIS A 393 15.508 28.403 2.762 1.00 11.08 C +ATOM 461 CE1 HIS A 393 14.916 30.455 2.284 1.00 15.78 C +ATOM 462 NE2 HIS A 393 15.439 29.353 1.773 1.00 10.90 N +ATOM 463 N ASP A 394 16.284 28.556 8.478 1.00 7.12 N +ATOM 464 CA ASP A 394 16.130 28.131 9.868 1.00 7.26 C +ATOM 465 C ASP A 394 14.659 27.919 10.218 1.00 7.26 C +ATOM 466 O ASP A 394 13.821 28.778 9.948 1.00 9.44 O +ATOM 467 CB ASP A 394 16.723 29.213 10.787 1.00 9.51 C +ATOM 468 CG ASP A 394 16.625 28.881 12.261 1.00 11.69 C +ATOM 469 OD1 ASP A 394 16.644 27.691 12.621 1.00 11.87 O +ATOM 470 OD2 ASP A 394 16.534 29.843 13.051 1.00 19.75 O +ATOM 471 N LEU A 395 14.365 26.784 10.844 1.00 6.81 N +ATOM 472 CA LEU A 395 13.042 26.461 11.358 1.00 7.03 C +ATOM 473 C LEU A 395 13.065 26.067 12.836 1.00 6.56 C +ATOM 474 O LEU A 395 12.072 25.571 13.367 1.00 7.03 O +ATOM 475 CB LEU A 395 12.435 25.351 10.511 1.00 8.04 C +ATOM 476 CG LEU A 395 11.842 25.803 9.173 1.00 9.58 C +ATOM 477 CD1 LEU A 395 11.547 24.580 8.318 1.00 14.23 C +ATOM 478 CD2 LEU A 395 10.558 26.562 9.377 1.00 11.51 C +ATOM 479 N LYS A 396 14.176 26.298 13.525 1.00 6.57 N +ATOM 480 CA LYS A 396 14.275 25.871 14.918 1.00 7.54 C +ATOM 481 C LYS A 396 13.103 26.393 15.750 1.00 6.86 C +ATOM 482 O LYS A 396 12.524 25.652 16.546 1.00 7.88 O +ATOM 483 CB LYS A 396 15.603 26.320 15.527 1.00 9.50 C +ATOM 484 CG LYS A 396 15.877 25.737 16.905 1.00 14.00 C +ATOM 485 CD LYS A 396 17.286 25.997 17.394 1.00 18.24 C +ATOM 486 CE LYS A 396 17.444 25.472 18.815 1.00 23.48 C +ATOM 487 N TYR A 397 12.751 27.663 15.566 1.00 7.48 N +ATOM 488 CA TYR A 397 11.624 28.256 16.273 1.00 8.17 C +ATOM 489 C TYR A 397 10.497 28.626 15.316 1.00 8.44 C +ATOM 490 O TYR A 397 9.719 29.543 15.565 1.00 11.33 O +ATOM 491 CB TYR A 397 12.093 29.470 17.089 1.00 11.09 C +ATOM 492 CG TYR A 397 13.152 29.097 18.092 1.00 11.97 C +ATOM 493 CD1 TYR A 397 12.812 28.444 19.262 1.00 14.21 C +ATOM 494 CD2 TYR A 397 14.501 29.305 17.825 1.00 15.02 C +ATOM 495 CE1 TYR A 397 13.775 28.061 20.178 1.00 17.55 C +ATOM 496 CE2 TYR A 397 15.471 28.924 18.736 1.00 20.96 C +ATOM 497 CZ TYR A 397 15.099 28.298 19.905 1.00 20.25 C +ATOM 498 OH TYR A 397 16.053 27.918 20.816 1.00 26.55 O +ATOM 499 N GLY A 398 10.391 27.868 14.226 1.00 7.80 N +ATOM 500 CA GLY A 398 9.456 28.141 13.163 1.00 8.27 C +ATOM 501 C GLY A 398 8.106 27.507 13.394 1.00 7.91 C +ATOM 502 O GLY A 398 7.804 27.015 14.472 1.00 7.59 O +ATOM 503 N THR A 399 7.300 27.515 12.346 1.00 9.49 N +ATOM 504 CA THR A 399 5.936 27.018 12.364 1.00 9.40 C +ATOM 505 C THR A 399 5.689 26.091 11.183 1.00 9.04 C +ATOM 506 O THR A 399 6.401 26.156 10.182 1.00 8.82 O +ATOM 507 CB THR A 399 4.949 28.188 12.187 1.00 9.92 C +ATOM 508 OG1 THR A 399 5.184 28.803 10.915 1.00 12.44 O +ATOM 509 CG2 THR A 399 5.102 29.213 13.287 1.00 13.80 C +ATOM 510 N PRO A 400 4.658 25.244 11.275 1.00 9.53 N +ATOM 511 CA PRO A 400 4.247 24.481 10.100 1.00 8.74 C +ATOM 512 C PRO A 400 3.988 25.364 8.877 1.00 9.67 C +ATOM 513 O PRO A 400 4.337 24.995 7.759 1.00 10.04 O +ATOM 514 CB PRO A 400 2.977 23.778 10.578 1.00 10.07 C +ATOM 515 CG PRO A 400 3.200 23.593 12.032 1.00 11.46 C +ATOM 516 CD PRO A 400 3.906 24.839 12.476 1.00 11.37 C +ATOM 517 N GLU A 401 3.394 26.533 9.096 1.00 9.78 N +ATOM 518 CA GLU A 401 3.116 27.444 8.001 1.00 11.62 C +ATOM 519 C GLU A 401 4.362 27.913 7.288 1.00 10.80 C +ATOM 520 O GLU A 401 4.391 27.980 6.050 1.00 13.59 O +ATOM 521 CB GLU A 401 2.371 28.680 8.504 1.00 15.78 C +ATOM 522 CG GLU A 401 0.939 28.454 8.841 1.00 22.69 C +ATOM 523 CD GLU A 401 0.730 27.530 10.025 1.00 38.18 C +ATOM 524 OE1 GLU A 401 1.509 27.567 11.019 1.00 30.10 O +ATOM 525 OE2 GLU A 401 -0.241 26.753 9.956 1.00 46.84 O +ATOM 526 N LEU A 402 5.377 28.283 8.060 1.00 10.10 N +ATOM 527 CA LEU A 402 6.635 28.728 7.469 1.00 10.16 C +ATOM 528 C LEU A 402 7.287 27.576 6.700 1.00 9.38 C +ATOM 529 O LEU A 402 7.778 27.764 5.595 1.00 10.31 O +ATOM 530 CB LEU A 402 7.557 29.283 8.549 1.00 13.39 C +ATOM 531 CG LEU A 402 8.913 29.806 8.085 1.00 13.91 C +ATOM 532 CD1 LEU A 402 8.763 30.875 7.002 1.00 16.82 C +ATOM 533 CD2 LEU A 402 9.710 30.307 9.286 1.00 16.06 C +ATOM 534 N ALA A 403 7.282 26.382 7.275 1.00 9.22 N +ATOM 535 CA ALA A 403 7.801 25.207 6.554 1.00 8.31 C +ATOM 536 C ALA A 403 7.056 24.999 5.230 1.00 8.63 C +ATOM 537 O ALA A 403 7.679 24.743 4.207 1.00 9.95 O +ATOM 538 CB ALA A 403 7.687 23.984 7.411 1.00 9.24 C +ATOM 539 N ALA A 404 5.729 25.125 5.262 1.00 9.56 N +ATOM 540 CA ALA A 404 4.901 24.975 4.076 1.00 10.82 C +ATOM 541 C ALA A 404 5.282 25.984 3.003 1.00 10.30 C +ATOM 542 O ALA A 404 5.370 25.639 1.841 1.00 11.75 O +ATOM 543 CB ALA A 404 3.435 25.119 4.431 1.00 12.69 C +ATOM 544 N GLN A 405 5.506 27.233 3.406 1.00 11.39 N +ATOM 545 CA GLN A 405 5.878 28.302 2.476 1.00 12.45 C +ATOM 546 C GLN A 405 7.207 27.962 1.806 1.00 12.12 C +ATOM 547 O GLN A 405 7.353 28.082 0.581 1.00 12.87 O +ATOM 548 CB GLN A 405 5.975 29.639 3.207 1.00 15.12 C +ATOM 549 CG GLN A 405 4.633 30.242 3.569 1.00 26.64 C +ATOM 550 CD GLN A 405 4.759 31.571 4.300 1.00 41.76 C +ATOM 551 OE1 GLN A 405 5.777 31.860 4.936 1.00 44.64 O +ATOM 552 NE2 GLN A 405 3.713 32.385 4.216 1.00 48.57 N +ATOM 553 N ILE A 406 8.179 27.518 2.597 1.00 10.78 N +ATOM 554 CA ILE A 406 9.494 27.153 2.059 1.00 11.01 C +ATOM 555 C ILE A 406 9.399 25.976 1.090 1.00 9.44 C +ATOM 556 O ILE A 406 9.934 26.028 -0.020 1.00 11.21 O +ATOM 557 CB ILE A 406 10.495 26.822 3.185 1.00 10.04 C +ATOM 558 CG1 ILE A 406 10.756 28.065 4.042 1.00 12.22 C +ATOM 559 CG2 ILE A 406 11.806 26.269 2.626 1.00 11.05 C +ATOM 560 CD1 ILE A 406 11.281 27.733 5.431 1.00 13.45 C +ATOM 561 N ILE A 407 8.672 24.931 1.481 1.00 9.74 N +ATOM 562 CA ILE A 407 8.569 23.728 0.661 1.00 9.95 C +ATOM 563 C ILE A 407 7.825 24.010 -0.644 1.00 11.91 C +ATOM 564 O ILE A 407 8.246 23.557 -1.726 1.00 13.89 O +ATOM 565 CB ILE A 407 7.907 22.592 1.429 1.00 10.93 C +ATOM 566 CG1 ILE A 407 8.843 22.115 2.522 1.00 10.18 C +ATOM 567 CG2 ILE A 407 7.582 21.426 0.509 1.00 12.72 C +ATOM 568 CD1 ILE A 407 8.119 21.328 3.647 1.00 13.36 C +ATOM 569 N GLN A 408 6.741 24.780 -0.564 1.00 12.93 N +ATOM 570 CA GLN A 408 5.961 25.074 -1.768 1.00 13.68 C +ATOM 571 C GLN A 408 6.746 25.917 -2.773 1.00 13.60 C +ATOM 572 O GLN A 408 6.574 25.734 -3.965 1.00 17.87 O +ATOM 573 CB GLN A 408 4.657 25.750 -1.402 1.00 16.16 C +ATOM 574 CG GLN A 408 3.669 24.773 -0.769 1.00 18.38 C +ATOM 575 CD GLN A 408 2.441 25.471 -0.235 1.00 26.27 C +ATOM 576 OE1 GLN A 408 2.313 26.691 -0.338 1.00 34.21 O +ATOM 577 NE2 GLN A 408 1.530 24.705 0.337 1.00 29.94 N +ATOM 578 N ALA A 409 7.609 26.812 -2.296 1.00 10.43 N +ATOM 579 CA ALA A 409 8.437 27.639 -3.166 1.00 11.32 C +ATOM 580 C ALA A 409 9.748 26.982 -3.584 1.00 11.10 C +ATOM 581 O ALA A 409 10.468 27.561 -4.377 1.00 13.90 O +ATOM 582 CB ALA A 409 8.707 28.987 -2.509 1.00 13.58 C +ATOM 583 N SER A 410 10.065 25.793 -3.059 1.00 9.06 N +ATOM 584 CA SER A 410 11.372 25.165 -3.256 1.00 9.49 C +ATOM 585 C SER A 410 11.592 24.786 -4.692 1.00 10.15 C +ATOM 586 O SER A 410 10.639 24.562 -5.437 1.00 14.75 O +ATOM 587 CB ASER A 410 11.469 23.906 -2.429 0.50 9.76 C +ATOM 588 CB BSER A 410 11.508 23.890 -2.388 0.50 10.54 C +ATOM 589 OG ASER A 410 10.601 22.959 -2.991 0.50 13.23 O +ATOM 590 OG BSER A 410 12.763 23.204 -2.554 0.50 9.51 O +ATOM 591 N GLY A 411 12.861 24.707 -5.079 1.00 7.78 N +ATOM 592 CA GLY A 411 13.221 24.044 -6.296 1.00 9.54 C +ATOM 593 C GLY A 411 13.129 22.543 -6.113 1.00 8.94 C +ATOM 594 O GLY A 411 12.615 22.045 -5.120 1.00 10.77 O +ATOM 595 N GLU A 412 13.674 21.791 -7.049 1.00 9.79 N +ATOM 596 CA GLU A 412 13.501 20.344 -7.016 1.00 9.89 C +ATOM 597 C GLU A 412 14.129 19.674 -5.794 1.00 9.48 C +ATOM 598 O GLU A 412 13.577 18.718 -5.290 1.00 11.29 O +ATOM 599 CB GLU A 412 13.953 19.685 -8.320 1.00 16.21 C +ATOM 600 CG GLU A 412 15.398 19.861 -8.639 1.00 16.42 C +ATOM 601 CD GLU A 412 16.323 18.856 -7.970 1.00 22.12 C +ATOM 602 OE1 GLU A 412 15.852 17.773 -7.589 1.00 22.98 O +ATOM 603 OE2 GLU A 412 17.531 19.158 -7.834 1.00 30.49 O +ATOM 604 N ARG A 413 15.251 20.178 -5.304 1.00 8.87 N +ATOM 605 CA ARG A 413 15.911 19.591 -4.148 1.00 8.68 C +ATOM 606 C ARG A 413 15.411 20.246 -2.878 1.00 8.11 C +ATOM 607 O ARG A 413 15.445 21.473 -2.722 1.00 9.37 O +ATOM 608 CB ARG A 413 17.430 19.716 -4.256 1.00 11.07 C +ATOM 609 CG ARG A 413 18.176 19.033 -3.108 1.00 13.32 C +ATOM 610 CD ARG A 413 19.682 19.112 -3.324 1.00 24.79 C +ATOM 611 NE ARG A 413 20.448 18.479 -2.245 1.00 27.84 N +ATOM 612 CZ ARG A 413 20.993 19.118 -1.207 1.00 36.19 C +ATOM 613 NH1 ARG A 413 20.863 20.433 -1.054 1.00 33.72 N +ATOM 614 NH2 ARG A 413 21.671 18.426 -0.295 1.00 41.41 N +ATOM 615 N VAL A 414 14.959 19.401 -1.963 1.00 6.86 N +ATOM 616 CA VAL A 414 14.513 19.835 -0.643 1.00 6.31 C +ATOM 617 C VAL A 414 15.382 19.116 0.383 1.00 6.33 C +ATOM 618 O VAL A 414 15.236 17.909 0.611 1.00 8.05 O +ATOM 619 CB VAL A 414 13.028 19.562 -0.396 1.00 7.85 C +ATOM 620 CG1 VAL A 414 12.610 20.149 0.932 1.00 9.26 C +ATOM 621 CG2 VAL A 414 12.177 20.137 -1.532 1.00 10.85 C +ATOM 622 N ASN A 415 16.280 19.870 0.997 1.00 5.57 N +ATOM 623 CA ASN A 415 17.158 19.331 2.032 1.00 5.84 C +ATOM 624 C ASN A 415 16.603 19.693 3.400 1.00 5.43 C +ATOM 625 O ASN A 415 16.397 20.860 3.676 1.00 9.69 O +ATOM 626 CB ASN A 415 18.579 19.900 1.896 1.00 8.13 C +ATOM 627 CG ASN A 415 19.516 19.209 2.822 1.00 12.01 C +ATOM 628 OD1 ASN A 415 19.750 18.001 2.675 1.00 16.43 O +ATOM 629 ND2 ASN A 415 19.968 19.910 3.861 1.00 16.19 N +ATOM 630 N LEU A 416 16.354 18.700 4.242 1.00 5.52 N +ATOM 631 CA LEU A 416 15.875 18.917 5.599 1.00 5.39 C +ATOM 632 C LEU A 416 16.980 18.565 6.561 1.00 5.82 C +ATOM 633 O LEU A 416 17.545 17.489 6.480 1.00 8.00 O +ATOM 634 CB LEU A 416 14.653 18.038 5.889 1.00 6.63 C +ATOM 635 CG LEU A 416 13.448 18.253 4.967 1.00 7.62 C +ATOM 636 CD1 LEU A 416 13.437 17.282 3.780 1.00 10.23 C +ATOM 637 CD2 LEU A 416 12.167 18.112 5.799 1.00 11.84 C +ATOM 638 N THR A 417 17.279 19.480 7.477 1.00 5.80 N +ATOM 639 CA THR A 417 18.161 19.195 8.594 1.00 5.83 C +ATOM 640 C THR A 417 17.285 18.858 9.778 1.00 5.81 C +ATOM 641 O THR A 417 16.420 19.644 10.181 1.00 6.34 O +ATOM 642 CB THR A 417 19.072 20.384 8.934 1.00 7.22 C +ATOM 643 OG1 THR A 417 19.806 20.767 7.757 1.00 11.03 O +ATOM 644 CG2 THR A 417 20.050 20.060 10.048 1.00 9.42 C +ATOM 645 N ILE A 418 17.508 17.664 10.320 1.00 4.76 N +ATOM 646 CA ILE A 418 16.683 17.063 11.339 1.00 6.86 C +ATOM 647 C ILE A 418 17.431 16.795 12.632 1.00 6.23 C +ATOM 648 O ILE A 418 18.594 16.410 12.577 1.00 6.95 O +ATOM 649 CB ILE A 418 16.266 15.653 10.761 1.00 14.19 C +ATOM 650 CG1 ILE A 418 15.517 15.810 9.448 1.00 13.77 C +ATOM 651 CG2 ILE A 418 15.551 14.836 11.763 1.00 17.42 C +ATOM 652 CD1 ILE A 418 14.351 16.566 9.612 1.00 10.45 C +ATOM 653 N ALA A 419 16.739 16.976 13.757 1.00 6.25 N +ATOM 654 CA ALA A 419 17.190 16.463 15.050 1.00 6.59 C +ATOM 655 C ALA A 419 16.266 15.319 15.464 1.00 6.81 C +ATOM 656 O ALA A 419 15.051 15.490 15.528 1.00 8.22 O +ATOM 657 CB ALA A 419 17.200 17.563 16.105 1.00 8.55 C +ATOM 658 N ARG A 420 16.864 14.166 15.753 1.00 7.51 N +ATOM 659 CA ARG A 420 16.141 12.966 16.135 1.00 8.14 C +ATOM 660 C ARG A 420 16.500 12.689 17.593 1.00 7.99 C +ATOM 661 O ARG A 420 17.564 12.158 17.886 1.00 8.23 O +ATOM 662 CB ARG A 420 16.548 11.809 15.238 1.00 8.42 C +ATOM 663 CG ARG A 420 15.882 10.496 15.579 1.00 9.40 C +ATOM 664 CD ARG A 420 16.088 9.500 14.466 1.00 10.06 C +ATOM 665 NE ARG A 420 15.444 9.990 13.256 1.00 8.90 N +ATOM 666 CZ ARG A 420 15.734 9.569 12.031 1.00 11.27 C +ATOM 667 NH1 ARG A 420 16.620 8.604 11.820 1.00 12.83 N +ATOM 668 NH2 ARG A 420 15.145 10.122 11.007 1.00 11.16 N +ATOM 669 N PRO A 421 15.638 13.098 18.531 1.00 10.73 N +ATOM 670 CA PRO A 421 16.030 12.918 19.925 1.00 10.69 C +ATOM 671 C PRO A 421 15.854 11.499 20.425 1.00 10.66 C +ATOM 672 O PRO A 421 15.081 10.700 19.871 1.00 14.66 O +ATOM 673 CB PRO A 421 15.102 13.869 20.685 1.00 14.27 C +ATOM 674 CG PRO A 421 14.609 14.838 19.670 1.00 18.94 C +ATOM 675 CD PRO A 421 14.509 14.034 18.416 1.00 14.24 C +ATOM 676 N GLY A 422 16.590 11.193 21.476 1.00 10.65 N +ATOM 677 CA GLY A 422 16.292 10.059 22.300 1.00 14.39 C +ATOM 678 C GLY A 422 16.821 8.730 21.823 1.00 12.94 C +ATOM 679 O GLY A 422 17.450 8.599 20.778 1.00 16.65 O +ATOM 680 N LYS A 423 16.595 7.725 22.648 1.00 13.32 N +ATOM 681 CA LYS A 423 17.063 6.385 22.376 1.00 11.77 C +ATOM 682 C LYS A 423 16.058 5.637 21.500 1.00 10.89 C +ATOM 683 O LYS A 423 14.853 5.785 21.671 1.00 14.13 O +ATOM 684 CB LYS A 423 17.224 5.631 23.701 1.00 13.46 C +ATOM 685 CG LYS A 423 18.208 6.274 24.672 1.00 15.32 C +ATOM 686 CD LYS A 423 18.301 5.467 25.954 1.00 14.96 C +ATOM 687 CE LYS A 423 19.261 6.115 26.964 1.00 15.66 C +ATOM 688 NZ LYS A 423 19.404 5.284 28.187 1.00 22.41 N +ATOM 689 N PRO A 424 16.552 4.802 20.591 1.00 9.91 N +ATOM 690 CA PRO A 424 15.651 4.023 19.745 1.00 12.24 C +ATOM 691 C PRO A 424 15.025 2.841 20.462 1.00 9.07 C +ATOM 692 O PRO A 424 14.020 2.324 20.007 1.00 9.13 O +ATOM 693 CB PRO A 424 16.556 3.534 18.608 1.00 15.51 C +ATOM 694 CG PRO A 424 17.917 3.641 19.116 1.00 15.26 C +ATOM 695 CD PRO A 424 17.936 4.756 20.099 1.00 12.95 C +ATOM 696 N GLU A 425 15.643 2.418 21.560 1.00 7.37 N +ATOM 697 CA GLU A 425 15.206 1.255 22.324 1.00 7.95 C +ATOM 698 C GLU A 425 15.405 1.564 23.788 1.00 8.05 C +ATOM 699 O GLU A 425 16.476 2.010 24.200 1.00 9.27 O +ATOM 700 CB GLU A 425 16.009 -0.003 21.975 1.00 10.27 C +ATOM 701 CG GLU A 425 15.660 -1.161 22.901 1.00 14.89 C +ATOM 702 CD GLU A 425 16.260 -2.480 22.466 1.00 18.63 C +ATOM 703 OE1 GLU A 425 17.066 -2.497 21.502 1.00 29.25 O +ATOM 704 OE2 GLU A 425 15.921 -3.515 23.099 1.00 20.57 O +ATOM 705 N ILE A 426 14.387 1.273 24.590 1.00 8.17 N +ATOM 706 CA ILE A 426 14.469 1.437 26.046 1.00 8.79 C +ATOM 707 C ILE A 426 13.839 0.215 26.685 1.00 8.69 C +ATOM 708 O ILE A 426 12.716 -0.158 26.382 1.00 8.14 O +ATOM 709 CB ILE A 426 13.775 2.735 26.554 1.00 9.36 C +ATOM 710 CG1 ILE A 426 14.392 3.978 25.905 1.00 12.22 C +ATOM 711 CG2 ILE A 426 13.850 2.873 28.091 1.00 13.41 C +ATOM 712 CD1 ILE A 426 13.736 5.273 26.334 1.00 14.74 C +ATOM 713 N GLU A 427 14.587 -0.408 27.588 1.00 8.99 N +ATOM 714 CA GLU A 427 14.057 -1.493 28.389 1.00 8.22 C +ATOM 715 C GLU A 427 13.584 -0.886 29.689 1.00 8.96 C +ATOM 716 O GLU A 427 14.327 -0.151 30.370 1.00 11.67 O +ATOM 717 CB GLU A 427 15.122 -2.569 28.575 1.00 11.04 C +ATOM 718 CG GLU A 427 15.738 -2.924 27.220 1.00 16.67 C +ATOM 719 CD GLU A 427 16.767 -4.011 27.276 1.00 16.35 C +ATOM 720 OE1 GLU A 427 16.762 -4.808 28.236 1.00 19.51 O +ATOM 721 OE2 GLU A 427 17.608 -4.048 26.330 1.00 22.62 O +ATOM 722 N LEU A 428 12.324 -1.163 30.007 1.00 11.21 N +ATOM 723 CA LEU A 428 11.677 -0.524 31.139 1.00 14.71 C +ATOM 724 C LEU A 428 10.696 -1.450 31.825 1.00 17.18 C +ATOM 725 O LEU A 428 10.717 -2.674 31.585 1.00 14.01 O +ATOM 726 CB LEU A 428 10.988 0.768 30.675 1.00 20.18 C +ATOM 727 CG LEU A 428 10.244 0.748 29.337 1.00 20.27 C +ATOM 728 CD1 LEU A 428 9.020 -0.139 29.452 1.00 23.09 C +ATOM 729 CD2 LEU A 428 9.858 2.172 28.859 1.00 23.60 C +ATOM 730 OXT LEU A 428 9.915 -0.965 32.662 1.00 21.45 O Added: SwiftApps/modFTdock/input/indata/2x57-2.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2x57-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2x57-2.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,808 @@ +ATOM 1 N GLY A -13 -0.278 5.309 -44.149 1.00 46.30 N +ATOM 2 CA GLY A -13 0.017 3.883 -44.495 1.00 49.33 C +ATOM 3 C GLY A -13 1.199 3.281 -43.741 1.00 47.87 C +ATOM 4 O GLY A -13 1.024 2.382 -42.911 1.00 41.12 O +ATOM 5 N VAL A -12 2.396 3.797 -44.030 1.00 47.05 N +ATOM 6 CA VAL A -12 3.675 3.297 -43.466 1.00 46.24 C +ATOM 7 C VAL A -12 3.679 3.103 -41.930 1.00 40.42 C +ATOM 8 O VAL A -12 4.267 2.147 -41.428 1.00 33.91 O +ATOM 9 CB VAL A -12 4.866 4.232 -43.864 1.00 47.04 C +ATOM 10 CG1 VAL A -12 6.193 3.667 -43.382 1.00 40.49 C +ATOM 11 CG2 VAL A -12 4.895 4.450 -45.376 1.00 51.30 C +ATOM 12 N ASP A -11 3.052 4.024 -41.203 1.00 34.11 N +ATOM 13 CA ASP A -11 2.790 3.835 -39.784 1.00 41.60 C +ATOM 14 C ASP A -11 1.952 2.565 -39.515 1.00 40.09 C +ATOM 15 O ASP A -11 2.284 1.758 -38.639 1.00 33.46 O +ATOM 16 CB ASP A -11 2.097 5.068 -39.195 1.00 42.86 C +ATOM 17 CG ASP A -11 3.065 6.172 -38.904 1.00 51.98 C +ATOM 18 OD1 ASP A -11 3.322 6.427 -37.703 1.00 51.57 O +ATOM 19 OD2 ASP A -11 3.601 6.749 -39.879 1.00 63.93 O +ATOM 20 N LEU A -10 0.900 2.389 -40.307 1.00 39.59 N +ATOM 21 CA LEU A -10 -0.007 1.250 -40.179 1.00 40.34 C +ATOM 22 C LEU A -10 0.511 -0.003 -40.924 1.00 35.30 C +ATOM 23 O LEU A -10 -0.173 -1.031 -40.918 1.00 34.02 O +ATOM 24 CB LEU A -10 -1.398 1.632 -40.720 1.00 43.73 C +ATOM 25 CG LEU A -10 -2.033 2.960 -40.258 1.00 52.62 C +ATOM 26 CD1 LEU A -10 -3.018 3.506 -41.309 1.00 51.94 C +ATOM 27 CD2 LEU A -10 -2.710 2.810 -38.908 1.00 46.99 C +ATOM 28 N GLY A -9 1.682 0.092 -41.582 1.00 23.68 N +ATOM 29 CA GLY A -9 2.348 -1.069 -42.200 1.00 17.29 C +ATOM 30 C GLY A -9 2.649 -2.105 -41.128 1.00 13.22 C +ATOM 31 O GLY A -9 2.925 -1.729 -39.989 1.00 10.50 O +ATOM 32 N THR A -8 2.558 -3.410 -41.450 1.00 10.36 N +ATOM 33 CA THR A -8 2.569 -4.415 -40.392 1.00 5.66 C +ATOM 34 C THR A -8 3.945 -4.612 -39.750 1.00 7.66 C +ATOM 35 O THR A -8 4.026 -4.999 -38.610 1.00 7.69 O +ATOM 36 CB THR A -8 1.969 -5.765 -40.818 1.00 9.78 C +ATOM 37 OG1 THR A -8 2.501 -6.129 -42.083 1.00 8.41 O +ATOM 38 CG2 THR A -8 0.411 -5.670 -40.919 1.00 11.97 C +ATOM 39 N GLU A -7 5.016 -4.317 -40.475 1.00 7.37 N +ATOM 40 CA GLU A -7 6.350 -4.412 -39.923 1.00 7.33 C +ATOM 41 C GLU A -7 6.538 -3.375 -38.817 1.00 7.90 C +ATOM 42 O GLU A -7 7.045 -3.676 -37.720 1.00 12.10 O +ATOM 43 CB GLU A -7 7.343 -4.245 -41.074 1.00 11.31 C +ATOM 44 CG GLU A -7 8.641 -4.895 -40.838 1.00 24.11 C +ATOM 45 CD GLU A -7 9.630 -4.745 -42.001 1.00 20.81 C +ATOM 46 OE1 GLU A -7 9.272 -4.316 -43.115 1.00 10.83 O +ATOM 47 OE2 GLU A -7 10.800 -5.034 -41.756 1.00 17.84 O +ATOM 48 N ASN A -6 6.073 -2.159 -39.071 1.00 3.75 N +ATOM 49 CA ASN A -6 6.085 -1.127 -38.054 1.00 3.33 C +ATOM 50 C ASN A -6 5.128 -1.424 -36.958 1.00 3.21 C +ATOM 51 O ASN A -6 5.441 -1.217 -35.777 1.00 7.56 O +ATOM 52 CB ASN A -6 5.775 0.237 -38.641 1.00 5.17 C +ATOM 53 CG ASN A -6 5.884 1.314 -37.638 1.00 11.05 C +ATOM 54 OD1 ASN A -6 6.918 1.484 -36.991 1.00 5.98 O +ATOM 55 ND2 ASN A -6 4.792 2.029 -37.446 1.00 2.49 N +ATOM 56 N LEU A -5 3.988 -1.964 -37.286 1.00 6.09 N +ATOM 57 CA LEU A -5 3.058 -2.338 -36.191 1.00 9.29 C +ATOM 58 C LEU A -5 3.707 -3.385 -35.268 1.00 10.87 C +ATOM 59 O LEU A -5 3.681 -3.244 -34.046 1.00 10.42 O +ATOM 60 CB LEU A -5 1.685 -2.773 -36.712 1.00 14.27 C +ATOM 61 CG LEU A -5 0.774 -1.652 -37.292 1.00 34.07 C +ATOM 62 CD1 LEU A -5 -0.559 -2.208 -37.841 1.00 26.06 C +ATOM 63 CD2 LEU A -5 0.479 -0.507 -36.275 1.00 27.70 C +ATOM 64 N TYR A -4 4.392 -4.367 -35.842 1.00 15.17 N +ATOM 65 CA TYR A -4 5.123 -5.360 -35.028 1.00 15.98 C +ATOM 66 C TYR A -4 6.123 -4.669 -34.072 1.00 20.12 C +ATOM 67 O TYR A -4 6.125 -4.913 -32.849 1.00 13.58 O +ATOM 68 CB TYR A -4 5.836 -6.352 -35.987 1.00 18.61 C +ATOM 69 CG TYR A -4 6.860 -7.339 -35.371 1.00 23.03 C +ATOM 70 CD1 TYR A -4 6.515 -8.633 -35.087 1.00 28.59 C +ATOM 71 CD2 TYR A -4 8.186 -6.985 -35.203 1.00 38.85 C +ATOM 72 CE1 TYR A -4 7.434 -9.546 -34.603 1.00 24.30 C +ATOM 73 CE2 TYR A -4 9.106 -7.890 -34.703 1.00 35.20 C +ATOM 74 CZ TYR A -4 8.715 -9.182 -34.403 1.00 39.96 C +ATOM 75 OH TYR A -4 9.614 -10.121 -33.901 1.00 47.86 O +ATOM 76 N PHE A -3 6.984 -3.816 -34.643 1.00 14.76 N +ATOM 77 CA PHE A -3 8.000 -3.086 -33.840 1.00 15.04 C +ATOM 78 C PHE A -3 7.407 -2.222 -32.741 1.00 16.72 C +ATOM 79 O PHE A -3 7.898 -2.251 -31.607 1.00 16.47 O +ATOM 80 CB PHE A -3 8.902 -2.229 -34.729 1.00 8.47 C +ATOM 81 CG PHE A -3 9.780 -1.277 -33.970 1.00 10.08 C +ATOM 82 CD1 PHE A -3 10.908 -1.717 -33.351 1.00 17.24 C +ATOM 83 CD2 PHE A -3 9.468 0.043 -33.872 1.00 11.02 C +ATOM 84 CE1 PHE A -3 11.667 -0.881 -32.666 1.00 12.28 C +ATOM 85 CE2 PHE A -3 10.258 0.873 -33.202 1.00 12.91 C +ATOM 86 CZ PHE A -3 11.361 0.412 -32.622 1.00 11.28 C +ATOM 87 N GLN A -2 6.364 -1.459 -33.059 1.00 10.99 N +ATOM 88 CA GLN A -2 5.817 -0.481 -32.110 1.00 12.75 C +ATOM 89 C GLN A -2 5.269 -1.222 -30.903 1.00 16.69 C +ATOM 90 O GLN A -2 5.422 -0.772 -29.771 1.00 16.44 O +ATOM 91 CB GLN A -2 4.708 0.352 -32.738 1.00 14.43 C +ATOM 92 CG GLN A -2 5.197 1.264 -33.904 1.00 8.99 C +ATOM 93 CD GLN A -2 6.133 2.414 -33.457 1.00 12.09 C +ATOM 94 OE1 GLN A -2 6.067 2.865 -32.311 1.00 12.96 O +ATOM 95 NE2 GLN A -2 6.935 2.928 -34.384 1.00 9.97 N +ATOM 96 N SER A -1 4.653 -2.371 -31.158 1.00 15.80 N +ATOM 97 CA SER A -1 4.095 -3.218 -30.106 1.00 20.64 C +ATOM 98 C SER A -1 5.186 -3.850 -29.280 1.00 20.68 C +ATOM 99 O SER A -1 4.914 -4.365 -28.243 1.00 26.46 O +ATOM 100 CB ASER A -1 3.212 -4.316 -30.697 0.50 20.67 C +ATOM 101 CB BSER A -1 3.233 -4.329 -30.705 0.50 21.04 C +ATOM 102 OG ASER A -1 3.998 -5.332 -31.291 0.50 20.78 O +ATOM 103 OG BSER A -1 2.213 -3.805 -31.531 0.50 25.11 O +ATOM 112 N ARG A 26 8.171 -2.184 -28.453 1.00 17.38 N +ATOM 113 CA ARG A 26 9.063 -1.171 -27.945 1.00 17.25 C +ATOM 114 C ARG A 26 9.200 -1.245 -26.426 1.00 20.69 C +ATOM 115 O ARG A 26 10.297 -1.181 -25.935 1.00 16.87 O +ATOM 116 CB ARG A 26 8.592 0.209 -28.362 1.00 17.13 C +ATOM 117 CG ARG A 26 8.979 0.590 -29.777 1.00 12.54 C +ATOM 118 CD ARG A 26 8.321 1.899 -30.189 1.00 14.01 C +ATOM 119 NE ARG A 26 8.807 3.043 -29.434 1.00 15.79 N +ATOM 120 CZ ARG A 26 8.314 4.276 -29.551 1.00 18.07 C +ATOM 121 NH1 ARG A 26 7.337 4.550 -30.407 1.00 17.32 N +ATOM 122 NH2 ARG A 26 8.789 5.245 -28.814 1.00 18.45 N +ATOM 123 N PHE A 27 8.109 -1.356 -25.684 1.00 20.10 N +ATOM 124 CA PHE A 27 8.249 -1.416 -24.211 1.00 24.12 C +ATOM 125 C PHE A 27 9.094 -2.623 -23.803 1.00 20.69 C +ATOM 126 O PHE A 27 10.016 -2.510 -23.016 1.00 19.29 O +ATOM 127 CB PHE A 27 6.890 -1.426 -23.486 1.00 30.72 C +ATOM 128 CG PHE A 27 6.047 -0.144 -23.676 1.00 35.97 C +ATOM 129 CD1 PHE A 27 6.634 1.114 -23.866 1.00 49.14 C +ATOM 130 CD2 PHE A 27 4.646 -0.206 -23.636 1.00 56.64 C +ATOM 131 CE1 PHE A 27 5.839 2.273 -24.031 1.00 41.10 C +ATOM 132 CE2 PHE A 27 3.858 0.944 -23.793 1.00 55.11 C +ATOM 133 CZ PHE A 27 4.464 2.183 -23.991 1.00 56.94 C +ATOM 134 N HIS A 28 8.819 -3.758 -24.401 1.00 16.20 N +ATOM 135 CA HIS A 28 9.563 -4.964 -24.134 1.00 19.05 C +ATOM 136 C HIS A 28 11.058 -4.854 -24.459 1.00 26.76 C +ATOM 137 O HIS A 28 11.924 -5.289 -23.701 1.00 24.01 O +ATOM 138 CB HIS A 28 8.935 -6.142 -24.873 1.00 19.43 C +ATOM 139 CG HIS A 28 9.853 -7.310 -25.033 1.00 22.17 C +ATOM 140 ND1 HIS A 28 10.034 -8.265 -24.057 1.00 33.70 N +ATOM 141 CD2 HIS A 28 10.665 -7.667 -26.061 1.00 40.14 C +ATOM 142 CE1 HIS A 28 10.914 -9.159 -24.471 1.00 44.82 C +ATOM 143 NE2 HIS A 28 11.322 -8.813 -25.681 1.00 36.98 N +ATOM 144 N LEU A 29 11.387 -4.255 -25.583 1.00 20.02 N +ATOM 145 CA LEU A 29 12.770 -4.103 -25.914 1.00 17.58 C +ATOM 146 C LEU A 29 13.447 -3.165 -24.893 1.00 18.70 C +ATOM 147 O LEU A 29 14.565 -3.401 -24.500 1.00 17.84 O +ATOM 148 CB LEU A 29 12.894 -3.547 -27.341 1.00 20.67 C +ATOM 149 CG LEU A 29 12.455 -4.477 -28.513 1.00 20.84 C +ATOM 150 CD1 LEU A 29 12.253 -3.656 -29.807 1.00 22.81 C +ATOM 151 CD2 LEU A 29 13.476 -5.617 -28.766 1.00 21.53 C +ATOM 152 N GLU A 30 12.759 -2.099 -24.488 1.00 14.45 N +ATOM 153 CA GLU A 30 13.342 -1.121 -23.603 1.00 19.22 C +ATOM 154 C GLU A 30 13.555 -1.707 -22.203 1.00 21.59 C +ATOM 155 O GLU A 30 14.604 -1.493 -21.582 1.00 16.61 O +ATOM 156 CB GLU A 30 12.445 0.109 -23.515 1.00 23.31 C +ATOM 157 CG GLU A 30 12.506 1.029 -24.742 1.00 21.69 C +ATOM 158 CD GLU A 30 11.591 2.186 -24.593 1.00 24.15 C +ATOM 159 OE1 GLU A 30 11.842 3.031 -23.711 1.00 25.81 O +ATOM 160 OE2 GLU A 30 10.583 2.244 -25.314 1.00 27.66 O +ATOM 161 N ILE A 31 12.564 -2.444 -21.716 1.00 17.77 N +ATOM 162 CA ILE A 31 12.670 -3.067 -20.399 1.00 22.42 C +ATOM 163 C ILE A 31 13.756 -4.140 -20.399 1.00 17.84 C +ATOM 164 O ILE A 31 14.528 -4.239 -19.473 1.00 20.73 O +ATOM 165 CB ILE A 31 11.299 -3.560 -19.867 1.00 26.55 C +ATOM 166 CG1 ILE A 31 10.395 -2.339 -19.591 1.00 25.99 C +ATOM 167 CG2 ILE A 31 11.471 -4.414 -18.562 1.00 19.16 C +ATOM 168 CD1 ILE A 31 8.883 -2.645 -19.432 1.00 25.29 C +ATOM 169 N GLN A 32 13.835 -4.933 -21.444 1.00 21.75 N +ATOM 170 CA GLN A 32 14.851 -5.953 -21.512 1.00 15.01 C +ATOM 171 C GLN A 32 16.229 -5.351 -21.479 1.00 16.38 C +ATOM 172 O GLN A 32 17.112 -5.885 -20.811 1.00 18.10 O +ATOM 173 CB GLN A 32 14.620 -6.862 -22.737 1.00 21.57 C +ATOM 174 CG GLN A 32 15.681 -7.951 -22.975 1.00 37.93 C +ATOM 175 CD GLN A 32 15.401 -8.794 -24.232 1.00 53.33 C +ATOM 176 OE1 GLN A 32 15.601 -8.349 -25.361 1.00 47.95 O +ATOM 177 NE2 GLN A 32 14.932 -10.005 -24.028 1.00 32.36 N +ATOM 178 N GLU A 33 16.456 -4.241 -22.183 1.00 16.71 N +ATOM 179 CA GLU A 33 17.781 -3.589 -22.132 1.00 17.89 C +ATOM 180 C GLU A 33 18.060 -3.064 -20.750 1.00 14.73 C +ATOM 181 O GLU A 33 19.198 -3.107 -20.285 1.00 13.77 O +ATOM 182 CB GLU A 33 17.933 -2.418 -23.158 1.00 18.47 C +ATOM 183 CG AGLU A 33 19.283 -1.762 -23.170 0.50 27.89 C +ATOM 184 CG BGLU A 33 19.225 -1.589 -22.945 0.50 28.36 C +ATOM 185 CD AGLU A 33 20.436 -2.723 -23.537 0.50 30.46 C +ATOM 186 CD BGLU A 33 19.662 -0.669 -24.109 0.50 42.26 C +ATOM 187 OE1AGLU A 33 20.231 -3.737 -24.267 0.50 21.12 O +ATOM 188 OE1BGLU A 33 19.933 0.532 -23.857 0.50 23.68 O +ATOM 189 OE2AGLU A 33 21.571 -2.451 -23.077 0.50 43.93 O +ATOM 190 OE2BGLU A 33 19.802 -1.148 -25.254 0.50 39.70 O +ATOM 191 N GLU A 34 17.044 -2.550 -20.071 1.00 15.55 N +ATOM 192 CA GLU A 34 17.250 -2.029 -18.694 1.00 18.15 C +ATOM 193 C GLU A 34 17.561 -3.166 -17.682 1.00 12.76 C +ATOM 194 O GLU A 34 18.427 -3.045 -16.809 1.00 15.87 O +ATOM 195 CB GLU A 34 16.018 -1.247 -18.249 1.00 18.50 C +ATOM 196 CG GLU A 34 16.308 0.020 -17.498 1.00 42.96 C +ATOM 197 CD GLU A 34 17.371 0.920 -18.128 1.00 49.72 C +ATOM 198 OE1 GLU A 34 17.199 1.397 -19.277 1.00 55.18 O +ATOM 199 OE2 GLU A 34 18.381 1.148 -17.436 1.00 42.69 O +ATOM 200 N GLU A 35 16.887 -4.280 -17.843 1.00 13.11 N +ATOM 201 CA GLU A 35 17.185 -5.477 -17.058 1.00 13.21 C +ATOM 202 C GLU A 35 18.565 -6.014 -17.346 1.00 16.43 C +ATOM 203 O GLU A 35 19.276 -6.437 -16.423 1.00 15.20 O +ATOM 204 CB GLU A 35 16.162 -6.529 -17.364 1.00 14.65 C +ATOM 205 CG GLU A 35 14.823 -6.279 -16.751 1.00 17.86 C +ATOM 206 CD GLU A 35 13.770 -7.331 -17.200 1.00 28.46 C +ATOM 207 OE1 GLU A 35 13.705 -7.659 -18.410 1.00 44.17 O +ATOM 208 OE2 GLU A 35 13.030 -7.831 -16.360 1.00 48.62 O +ATOM 209 N THR A 36 18.972 -5.957 -18.617 1.00 11.34 N +ATOM 210 CA THR A 36 20.267 -6.427 -19.001 1.00 10.76 C +ATOM 211 C THR A 36 21.315 -5.564 -18.386 1.00 8.59 C +ATOM 212 O THR A 36 22.305 -6.058 -17.870 1.00 13.18 O +ATOM 213 CB THR A 36 20.455 -6.470 -20.539 1.00 15.46 C +ATOM 214 OG1 THR A 36 19.534 -7.410 -21.100 1.00 17.00 O +ATOM 215 CG2 THR A 36 21.909 -6.811 -20.944 1.00 11.53 C +ATOM 216 N LYS A 37 21.120 -4.268 -18.410 1.00 14.12 N +ATOM 217 CA LYS A 37 22.094 -3.383 -17.768 1.00 13.96 C +ATOM 218 C LYS A 37 22.159 -3.623 -16.252 1.00 13.92 C +ATOM 219 O LYS A 37 23.234 -3.586 -15.660 1.00 11.52 O +ATOM 220 CB LYS A 37 21.756 -1.916 -18.048 1.00 23.91 C +ATOM 221 CG LYS A 37 22.064 -1.447 -19.477 1.00 31.14 C +ATOM 222 CD LYS A 37 21.585 -0.002 -19.676 1.00 46.36 C +ATOM 223 CE LYS A 37 21.848 0.493 -21.092 1.00 58.24 C +ATOM 224 NZ LYS A 37 20.877 1.557 -21.467 1.00 64.75 N +ATOM 225 N CYS A 38 21.004 -3.884 -15.639 1.00 10.09 N +ATOM 226 CA CYS A 38 20.956 -4.191 -14.225 1.00 11.29 C +ATOM 227 C CYS A 38 21.711 -5.458 -13.939 1.00 10.25 C +ATOM 228 O CYS A 38 22.567 -5.468 -13.057 1.00 13.82 O +ATOM 229 CB CYS A 38 19.505 -4.313 -13.733 1.00 17.38 C +ATOM 230 SG CYS A 38 19.365 -4.354 -11.943 1.00 12.04 S +ATOM 231 N ALA A 39 21.466 -6.513 -14.714 1.00 8.48 N +ATOM 232 CA ALA A 39 22.206 -7.756 -14.491 1.00 9.70 C +ATOM 233 C ALA A 39 23.716 -7.501 -14.612 1.00 11.39 C +ATOM 234 O ALA A 39 24.486 -8.006 -13.833 1.00 6.90 O +ATOM 235 CB ALA A 39 21.790 -8.802 -15.492 1.00 5.61 C +ATOM 236 N GLU A 40 24.143 -6.714 -15.600 1.00 11.37 N +ATOM 237 CA GLU A 40 25.583 -6.455 -15.787 1.00 15.04 C +ATOM 238 C GLU A 40 26.128 -5.650 -14.620 1.00 13.67 C +ATOM 239 O GLU A 40 27.225 -5.909 -14.157 1.00 16.05 O +ATOM 240 CB GLU A 40 25.874 -5.720 -17.104 1.00 15.09 C +ATOM 241 CG GLU A 40 25.430 -6.455 -18.396 1.00 19.88 C +ATOM 242 CD GLU A 40 26.312 -7.635 -18.779 1.00 36.68 C +ATOM 243 OE1 GLU A 40 27.304 -7.919 -18.074 1.00 38.71 O +ATOM 244 OE2 GLU A 40 26.009 -8.296 -19.798 1.00 33.49 O +ATOM 245 N LEU A 41 25.349 -4.691 -14.118 1.00 14.81 N +ATOM 246 CA LEU A 41 25.797 -3.891 -12.974 1.00 12.76 C +ATOM 247 C LEU A 41 25.994 -4.778 -11.740 1.00 17.13 C +ATOM 248 O LEU A 41 27.023 -4.693 -11.062 1.00 15.66 O +ATOM 249 CB LEU A 41 24.787 -2.792 -12.641 1.00 15.21 C +ATOM 250 CG LEU A 41 25.179 -1.797 -11.526 1.00 25.07 C +ATOM 251 CD1 LEU A 41 26.427 -0.985 -11.905 1.00 22.69 C +ATOM 252 CD2 LEU A 41 24.031 -0.859 -11.194 1.00 19.56 C +ATOM 253 N LEU A 42 25.009 -5.618 -11.441 1.00 12.27 N +ATOM 254 CA LEU A 42 25.100 -6.462 -10.268 1.00 12.88 C +ATOM 255 C LEU A 42 26.273 -7.401 -10.374 1.00 13.78 C +ATOM 256 O LEU A 42 26.987 -7.648 -9.395 1.00 18.10 O +ATOM 257 CB LEU A 42 23.815 -7.262 -10.048 1.00 12.29 C +ATOM 258 CG LEU A 42 22.525 -6.438 -9.905 1.00 21.11 C +ATOM 259 CD1 LEU A 42 21.407 -7.219 -9.245 1.00 14.31 C +ATOM 260 CD2 LEU A 42 22.786 -5.163 -9.168 1.00 17.94 C +ATOM 261 N ARG A 43 26.477 -7.930 -11.568 1.00 17.08 N +ATOM 262 CA ARG A 43 27.566 -8.863 -11.782 1.00 16.64 C +ATOM 263 C ARG A 43 28.959 -8.244 -11.563 1.00 21.46 C +ATOM 264 O ARG A 43 29.828 -8.890 -11.013 1.00 19.47 O +ATOM 265 CB ARG A 43 27.485 -9.462 -13.189 1.00 13.55 C +ATOM 266 CG ARG A 43 28.431 -10.648 -13.393 1.00 19.68 C +ATOM 267 CD ARG A 43 28.099 -11.806 -12.449 1.00 21.49 C +ATOM 268 NE ARG A 43 26.789 -12.384 -12.749 1.00 25.59 N +ATOM 269 CZ ARG A 43 26.120 -13.226 -11.965 1.00 34.11 C +ATOM 270 NH1 ARG A 43 26.612 -13.620 -10.794 1.00 50.00 N +ATOM 271 NH2 ARG A 43 24.939 -13.679 -12.373 1.00 32.67 N +ATOM 272 N SER A 44 29.151 -7.004 -12.007 1.00 25.38 N +ATOM 273 CA SER A 44 30.443 -6.319 -11.926 1.00 27.10 C +ATOM 274 C SER A 44 30.777 -5.950 -10.503 1.00 24.93 C +ATOM 275 O SER A 44 31.877 -5.523 -10.220 1.00 33.07 O +ATOM 276 CB SER A 44 30.417 -5.032 -12.760 1.00 26.34 C +ATOM 277 OG SER A 44 29.600 -4.036 -12.135 1.00 28.62 O +ATOM 278 N GLN A 45 29.805 -6.107 -9.618 1.00 32.26 N +ATOM 279 CA GLN A 45 29.896 -5.641 -8.248 1.00 39.01 C +ATOM 280 C GLN A 45 29.881 -6.790 -7.229 1.00 46.17 C +ATOM 281 O GLN A 45 29.941 -6.526 -6.022 1.00 47.59 O +ATOM 282 CB GLN A 45 28.700 -4.715 -7.985 1.00 39.60 C +ATOM 283 CG GLN A 45 28.946 -3.616 -6.960 1.00 56.97 C +ATOM 284 CD GLN A 45 28.494 -2.240 -7.433 1.00 71.63 C +ATOM 285 OE1 GLN A 45 27.694 -2.110 -8.365 1.00 58.85 O +ATOM 286 NE2 GLN A 45 29.023 -1.202 -6.793 1.00 70.04 N +ATOM 287 N THR A 46 29.819 -8.048 -7.696 1.00 52.43 N +ATOM 288 CA THR A 46 29.517 -9.206 -6.805 1.00 56.65 C +ATOM 289 C THR A 46 30.603 -9.561 -5.781 1.00 56.93 C +ATOM 290 O THR A 46 30.360 -10.385 -4.893 1.00 57.58 O +ATOM 291 CB THR A 46 29.129 -10.524 -7.585 1.00 57.25 C +ATOM 292 OG1 THR A 46 29.843 -10.605 -8.823 1.00 58.88 O +ATOM 293 CG2 THR A 46 27.627 -10.592 -7.847 1.00 54.66 C +ATOM 294 N GLU A 47 31.778 -8.939 -5.889 1.00 57.87 N +ATOM 295 CA GLU A 47 32.880 -9.193 -4.951 1.00 57.79 C +ATOM 296 C GLU A 47 32.971 -8.149 -3.817 1.00 55.59 C +ATOM 297 O GLU A 47 34.027 -8.014 -3.186 1.00 56.49 O +ATOM 298 CB GLU A 47 34.203 -9.282 -5.727 1.00 56.95 C +ATOM 299 CG GLU A 47 34.168 -10.310 -6.865 1.00 59.45 C +ATOM 300 CD GLU A 47 35.393 -10.247 -7.763 1.00 65.19 C +ATOM 301 OE1 GLU A 47 36.527 -10.304 -7.241 1.00 57.63 O +ATOM 302 OE2 GLU A 47 35.219 -10.149 -8.997 1.00 74.39 O +ATOM 303 N LYS A 48 31.867 -7.439 -3.549 1.00 52.28 N +ATOM 304 CA LYS A 48 31.802 -6.432 -2.468 1.00 53.13 C +ATOM 305 C LYS A 48 30.996 -6.876 -1.224 1.00 52.70 C +ATOM 306 O LYS A 48 31.341 -6.491 -0.101 1.00 51.14 O +ATOM 307 CB LYS A 48 31.261 -5.096 -3.003 1.00 54.33 C +ATOM 308 CG LYS A 48 32.320 -4.188 -3.636 1.00 55.84 C +ATOM 309 CD LYS A 48 32.789 -4.722 -4.977 1.00 59.21 C +ATOM 310 CE LYS A 48 33.645 -3.710 -5.715 1.00 62.17 C +ATOM 311 NZ LYS A 48 33.812 -4.086 -7.140 1.00 59.11 N +ATOM 312 N HIS A 49 29.939 -7.671 -1.433 1.00 51.39 N +ATOM 313 CA HIS A 49 29.115 -8.266 -0.345 1.00 51.58 C +ATOM 314 C HIS A 49 28.386 -7.251 0.556 1.00 48.80 C +ATOM 315 O HIS A 49 28.430 -7.364 1.783 1.00 51.22 O +ATOM 316 CB HIS A 49 29.946 -9.213 0.541 1.00 53.52 C +ATOM 317 CG HIS A 49 30.845 -10.133 -0.222 1.00 65.39 C +ATOM 318 ND1 HIS A 49 30.432 -10.815 -1.347 1.00 69.68 N +ATOM 319 CD2 HIS A 49 32.136 -10.492 -0.015 1.00 63.48 C +ATOM 320 CE1 HIS A 49 31.433 -11.546 -1.807 1.00 66.45 C +ATOM 321 NE2 HIS A 49 32.477 -11.370 -1.016 1.00 74.82 N +ATOM 322 N LYS A 50 27.687 -6.292 -0.051 1.00 43.19 N +ATOM 323 CA LYS A 50 27.037 -5.201 0.698 1.00 37.14 C +ATOM 324 C LYS A 50 25.756 -5.621 1.466 1.00 32.78 C +ATOM 325 O LYS A 50 25.152 -6.658 1.182 1.00 33.93 O +ATOM 326 CB LYS A 50 26.763 -4.016 -0.245 1.00 36.20 C +ATOM 327 CG LYS A 50 28.048 -3.422 -0.843 1.00 38.27 C +ATOM 328 CD LYS A 50 27.891 -1.970 -1.300 1.00 36.98 C +ATOM 329 CE LYS A 50 29.178 -1.461 -1.947 1.00 45.70 C +ATOM 330 NZ LYS A 50 28.919 -0.790 -3.251 1.00 44.81 N +ATOM 331 N ALA A 51 25.358 -4.808 2.444 1.00 25.95 N +ATOM 332 CA ALA A 51 24.207 -5.127 3.311 1.00 26.30 C +ATOM 333 C ALA A 51 22.977 -5.477 2.500 1.00 25.93 C +ATOM 334 O ALA A 51 22.351 -6.509 2.718 1.00 27.51 O +ATOM 335 CB ALA A 51 23.887 -3.947 4.248 1.00 21.58 C +ATOM 336 N CYS A 52 22.654 -4.592 1.559 1.00 25.77 N +ATOM 337 CA CYS A 52 21.519 -4.748 0.668 1.00 22.86 C +ATOM 338 C CYS A 52 22.048 -5.006 -0.727 1.00 22.40 C +ATOM 339 O CYS A 52 22.537 -4.075 -1.390 1.00 23.41 O +ATOM 340 CB CYS A 52 20.696 -3.461 0.631 1.00 22.07 C +ATOM 341 SG CYS A 52 19.921 -2.945 2.152 1.00 24.90 S +ATOM 342 N SER A 53 21.940 -6.247 -1.198 1.00 19.12 N +ATOM 343 CA SER A 53 22.403 -6.562 -2.548 1.00 20.68 C +ATOM 344 C SER A 53 21.418 -6.044 -3.595 1.00 21.65 C +ATOM 345 O SER A 53 20.284 -5.657 -3.288 1.00 19.30 O +ATOM 346 CB SER A 53 22.657 -8.056 -2.731 1.00 26.03 C +ATOM 347 OG SER A 53 21.563 -8.811 -2.281 1.00 37.61 O +ATOM 348 N GLY A 54 21.881 -6.007 -4.830 1.00 17.73 N +ATOM 349 CA GLY A 54 21.132 -5.390 -5.900 1.00 16.56 C +ATOM 350 C GLY A 54 19.808 -6.093 -6.111 1.00 13.02 C +ATOM 351 O GLY A 54 19.726 -7.313 -6.040 1.00 15.06 O +ATOM 352 N VAL A 55 18.773 -5.310 -6.373 1.00 11.96 N +ATOM 353 CA VAL A 55 17.464 -5.864 -6.684 1.00 12.81 C +ATOM 354 C VAL A 55 16.841 -5.102 -7.810 1.00 16.34 C +ATOM 355 O VAL A 55 17.244 -3.976 -8.105 1.00 15.81 O +ATOM 356 CB VAL A 55 16.554 -5.822 -5.451 1.00 17.35 C +ATOM 357 CG1 VAL A 55 17.156 -6.680 -4.324 1.00 13.68 C +ATOM 358 CG2 VAL A 55 16.323 -4.373 -4.979 1.00 9.80 C +ATOM 359 N TRP A 56 15.876 -5.747 -8.448 1.00 16.25 N +ATOM 360 CA TRP A 56 15.056 -5.152 -9.502 1.00 16.79 C +ATOM 361 C TRP A 56 13.610 -5.075 -8.945 1.00 16.93 C +ATOM 362 O TRP A 56 13.041 -6.096 -8.540 1.00 13.08 O +ATOM 363 CB TRP A 56 15.115 -6.052 -10.744 1.00 14.22 C +ATOM 364 CG TRP A 56 14.200 -5.664 -11.864 1.00 10.77 C +ATOM 365 CD1 TRP A 56 12.941 -6.159 -12.112 1.00 12.12 C +ATOM 366 CD2 TRP A 56 14.467 -4.713 -12.909 1.00 12.97 C +ATOM 367 NE1 TRP A 56 12.407 -5.536 -13.192 1.00 13.76 N +ATOM 368 CE2 TRP A 56 13.325 -4.660 -13.717 1.00 16.47 C +ATOM 369 CE3 TRP A 56 15.563 -3.919 -13.239 1.00 18.45 C +ATOM 370 CZ2 TRP A 56 13.246 -3.847 -14.836 1.00 19.08 C +ATOM 371 CZ3 TRP A 56 15.484 -3.101 -14.343 1.00 15.16 C +ATOM 372 CH2 TRP A 56 14.325 -3.068 -15.133 1.00 11.82 C +ATOM 373 N ASP A 57 13.063 -3.868 -8.866 1.00 13.77 N +ATOM 374 CA ASP A 57 11.737 -3.646 -8.302 1.00 16.11 C +ATOM 375 C ASP A 57 11.151 -2.407 -8.953 1.00 15.80 C +ATOM 376 O ASP A 57 11.881 -1.460 -9.216 1.00 16.33 O +ATOM 377 CB ASP A 57 11.874 -3.413 -6.810 1.00 21.77 C +ATOM 378 CG ASP A 57 10.577 -3.594 -6.047 1.00 18.32 C +ATOM 379 OD1 ASP A 57 9.744 -4.450 -6.421 1.00 29.29 O +ATOM 380 OD2 ASP A 57 10.438 -2.906 -5.018 1.00 32.63 O +ATOM 381 N ASN A 58 9.835 -2.389 -9.169 1.00 12.94 N +ATOM 382 CA ASN A 58 9.179 -1.272 -9.806 1.00 13.94 C +ATOM 383 C ASN A 58 9.895 -0.928 -11.118 1.00 18.64 C +ATOM 384 O ASN A 58 10.215 0.227 -11.405 1.00 15.71 O +ATOM 385 CB ASN A 58 9.092 -0.071 -8.839 1.00 16.60 C +ATOM 386 CG ASN A 58 8.254 -0.365 -7.590 1.00 21.23 C +ATOM 387 OD1 ASN A 58 8.642 -0.009 -6.477 1.00 24.37 O +ATOM 388 ND2 ASN A 58 7.118 -1.044 -7.766 1.00 16.90 N +ATOM 389 N ILE A 59 10.194 -1.970 -11.901 1.00 19.80 N +ATOM 390 CA ILE A 59 10.835 -1.828 -13.192 1.00 14.97 C +ATOM 391 C ILE A 59 12.089 -0.974 -13.161 1.00 16.42 C +ATOM 392 O ILE A 59 12.357 -0.194 -14.084 1.00 19.04 O +ATOM 393 CB ILE A 59 9.861 -1.231 -14.262 1.00 21.97 C +ATOM 394 CG1 ILE A 59 8.406 -1.619 -14.037 1.00 37.23 C +ATOM 395 CG2 ILE A 59 10.212 -1.738 -15.608 1.00 29.91 C +ATOM 396 CD1 ILE A 59 8.086 -3.009 -14.452 1.00 48.85 C +ATOM 397 N THR A 60 12.868 -1.129 -12.112 1.00 15.60 N +ATOM 398 CA THR A 60 13.964 -0.262 -11.820 1.00 16.33 C +ATOM 399 C THR A 60 15.084 -1.081 -11.175 1.00 16.12 C +ATOM 400 O THR A 60 14.848 -1.973 -10.370 1.00 13.05 O +ATOM 401 CB THR A 60 13.511 0.853 -10.828 1.00 15.56 C +ATOM 402 OG1 THR A 60 12.555 1.674 -11.471 1.00 18.71 O +ATOM 403 CG2 THR A 60 14.665 1.732 -10.383 1.00 14.47 C +ATOM 404 N CYS A 61 16.318 -0.746 -11.516 1.00 14.00 N +ATOM 405 CA CYS A 61 17.481 -1.378 -10.910 1.00 14.34 C +ATOM 406 C CYS A 61 17.902 -0.606 -9.676 1.00 13.50 C +ATOM 407 O CYS A 61 18.074 0.597 -9.759 1.00 17.71 O +ATOM 408 CB CYS A 61 18.656 -1.379 -11.906 1.00 18.93 C +ATOM 409 SG CYS A 61 20.065 -2.413 -11.407 1.00 19.39 S +ATOM 410 N TRP A 62 18.156 -1.305 -8.566 1.00 10.32 N +ATOM 411 CA TRP A 62 18.524 -0.689 -7.333 1.00 13.39 C +ATOM 412 C TRP A 62 19.911 -1.224 -7.032 1.00 15.32 C +ATOM 413 O TRP A 62 20.071 -2.377 -6.630 1.00 16.94 O +ATOM 414 CB TRP A 62 17.508 -1.036 -6.213 1.00 12.26 C +ATOM 415 CG TRP A 62 16.120 -0.588 -6.568 1.00 13.32 C +ATOM 416 CD1 TRP A 62 15.164 -1.315 -7.192 1.00 16.70 C +ATOM 417 CD2 TRP A 62 15.574 0.715 -6.392 1.00 10.29 C +ATOM 418 NE1 TRP A 62 14.050 -0.559 -7.410 1.00 10.43 N +ATOM 419 CE2 TRP A 62 14.287 0.703 -6.939 1.00 10.96 C +ATOM 420 CE3 TRP A 62 16.073 1.907 -5.871 1.00 13.81 C +ATOM 421 CZ2 TRP A 62 13.477 1.824 -6.951 1.00 16.76 C +ATOM 422 CZ3 TRP A 62 15.261 3.030 -5.871 1.00 14.28 C +ATOM 423 CH2 TRP A 62 13.981 2.983 -6.407 1.00 19.62 C +ATOM 424 N ARG A 63 20.917 -0.373 -7.208 1.00 14.58 N +ATOM 425 CA ARG A 63 22.300 -0.777 -6.979 1.00 17.95 C +ATOM 426 C ARG A 63 22.515 -1.279 -5.565 1.00 19.01 C +ATOM 427 O ARG A 63 21.823 -0.842 -4.654 1.00 20.68 O +ATOM 428 CB ARG A 63 23.249 0.390 -7.249 1.00 19.85 C +ATOM 429 CG ARG A 63 23.027 1.598 -6.321 1.00 27.03 C +ATOM 430 CD ARG A 63 24.158 2.602 -6.458 1.00 31.85 C +ATOM 431 NE ARG A 63 24.047 3.681 -5.477 1.00 26.51 N +ATOM 432 CZ ARG A 63 24.411 3.585 -4.204 1.00 29.06 C +ATOM 433 NH1 ARG A 63 24.912 2.451 -3.717 1.00 28.56 N +ATOM 434 NH2 ARG A 63 24.269 4.635 -3.400 1.00 33.56 N +ATOM 435 N PRO A 64 23.508 -2.172 -5.364 1.00 22.14 N +ATOM 436 CA PRO A 64 23.827 -2.627 -4.012 1.00 18.31 C +ATOM 437 C PRO A 64 24.218 -1.462 -3.097 1.00 19.29 C +ATOM 438 O PRO A 64 24.724 -0.435 -3.561 1.00 22.54 O +ATOM 439 CB PRO A 64 25.022 -3.564 -4.220 1.00 20.79 C +ATOM 440 CG PRO A 64 25.051 -3.892 -5.654 1.00 23.24 C +ATOM 441 CD PRO A 64 24.415 -2.749 -6.374 1.00 25.73 C +ATOM 442 N ALA A 65 23.983 -1.620 -1.815 1.00 19.62 N +ATOM 443 CA ALA A 65 24.051 -0.492 -0.900 1.00 24.00 C +ATOM 444 C ALA A 65 24.302 -0.952 0.526 1.00 23.14 C +ATOM 445 O ALA A 65 24.050 -2.109 0.867 1.00 22.51 O +ATOM 446 CB ALA A 65 22.734 0.321 -0.958 1.00 20.58 C +ATOM 447 N ASN A 66 24.762 -0.018 1.354 1.00 26.45 N +ATOM 448 CA ASN A 66 25.041 -0.273 2.760 1.00 27.20 C +ATOM 449 C ASN A 66 24.028 0.445 3.628 1.00 26.66 C +ATOM 450 O ASN A 66 23.392 1.408 3.190 1.00 28.54 O +ATOM 451 CB ASN A 66 26.446 0.228 3.099 1.00 29.95 C +ATOM 452 CG ASN A 66 27.492 -0.298 2.134 1.00 33.77 C +ATOM 453 OD1 ASN A 66 27.659 -1.512 1.995 1.00 31.72 O +ATOM 454 ND2 ASN A 66 28.210 0.609 1.458 1.00 27.11 N +ATOM 455 N VAL A 67 23.892 -0.026 4.862 1.00 26.42 N +ATOM 456 CA VAL A 67 22.939 0.537 5.809 1.00 28.43 C +ATOM 457 C VAL A 67 23.087 2.059 5.876 1.00 27.58 C +ATOM 458 O VAL A 67 24.194 2.580 5.811 1.00 28.79 O +ATOM 459 CB VAL A 67 23.101 -0.089 7.201 1.00 26.86 C +ATOM 460 CG1 VAL A 67 22.813 -1.591 7.146 1.00 28.25 C +ATOM 461 CG2 VAL A 67 24.495 0.160 7.733 1.00 43.81 C +ATOM 462 N GLY A 68 21.957 2.765 5.926 1.00 24.56 N +ATOM 463 CA GLY A 68 21.943 4.230 5.995 1.00 22.53 C +ATOM 464 C GLY A 68 21.923 4.915 4.639 1.00 25.82 C +ATOM 465 O GLY A 68 21.700 6.123 4.561 1.00 25.99 O +ATOM 466 N GLU A 69 22.153 4.165 3.563 1.00 25.46 N +ATOM 467 CA GLU A 69 22.125 4.757 2.236 1.00 23.48 C +ATOM 468 C GLU A 69 20.693 4.878 1.746 1.00 19.81 C +ATOM 469 O GLU A 69 19.843 4.067 2.082 1.00 22.85 O +ATOM 470 CB GLU A 69 22.913 3.913 1.242 1.00 25.80 C +ATOM 471 CG GLU A 69 24.423 3.957 1.399 1.00 25.27 C +ATOM 472 CD GLU A 69 25.068 3.433 0.139 1.00 25.83 C +ATOM 473 OE1 GLU A 69 25.325 4.243 -0.778 1.00 31.51 O +ATOM 474 OE2 GLU A 69 25.247 2.199 0.030 1.00 27.06 O +ATOM 475 N THR A 70 20.448 5.900 0.944 1.00 20.53 N +ATOM 476 CA THR A 70 19.212 6.054 0.208 1.00 20.93 C +ATOM 477 C THR A 70 19.595 6.120 -1.250 1.00 23.34 C +ATOM 478 O THR A 70 20.430 6.943 -1.627 1.00 24.22 O +ATOM 479 CB THR A 70 18.502 7.350 0.597 1.00 24.57 C +ATOM 480 OG1 THR A 70 18.121 7.264 1.964 1.00 24.82 O +ATOM 481 CG2 THR A 70 17.260 7.602 -0.255 1.00 20.37 C +ATOM 482 N VAL A 71 19.011 5.235 -2.056 1.00 19.98 N +ATOM 483 CA VAL A 71 19.242 5.212 -3.483 1.00 16.17 C +ATOM 484 C VAL A 71 18.032 5.873 -4.135 1.00 17.78 C +ATOM 485 O VAL A 71 16.895 5.485 -3.877 1.00 17.46 O +ATOM 486 CB VAL A 71 19.387 3.771 -3.984 1.00 18.82 C +ATOM 487 CG1 VAL A 71 19.489 3.729 -5.507 1.00 17.98 C +ATOM 488 CG2 VAL A 71 20.610 3.113 -3.319 1.00 18.25 C +ATOM 489 N THR A 72 18.285 6.862 -4.978 1.00 17.90 N +ATOM 490 CA THR A 72 17.231 7.613 -5.652 1.00 17.79 C +ATOM 491 C THR A 72 17.525 7.625 -7.126 1.00 19.33 C +ATOM 492 O THR A 72 18.634 7.997 -7.521 1.00 26.95 O +ATOM 493 CB THR A 72 17.221 9.068 -5.179 1.00 21.45 C +ATOM 494 OG1 THR A 72 16.983 9.107 -3.771 1.00 19.30 O +ATOM 495 CG2 THR A 72 16.147 9.876 -5.901 1.00 28.60 C +ATOM 496 N VAL A 73 16.544 7.238 -7.940 1.00 20.34 N +ATOM 497 CA VAL A 73 16.695 7.219 -9.392 1.00 20.22 C +ATOM 498 C VAL A 73 15.485 7.821 -10.073 1.00 24.66 C +ATOM 499 O VAL A 73 14.399 7.895 -9.494 1.00 22.56 O +ATOM 500 CB VAL A 73 16.871 5.795 -9.941 1.00 27.06 C +ATOM 501 CG1 VAL A 73 18.109 5.132 -9.308 1.00 27.62 C +ATOM 502 CG2 VAL A 73 15.642 4.976 -9.710 1.00 22.23 C +ATOM 503 N PRO A 74 15.663 8.254 -11.328 1.00 25.90 N +ATOM 504 CA PRO A 74 14.509 8.808 -12.019 1.00 23.59 C +ATOM 505 C PRO A 74 13.483 7.727 -12.282 1.00 23.01 C +ATOM 506 O PRO A 74 13.814 6.556 -12.307 1.00 24.45 O +ATOM 507 CB PRO A 74 15.103 9.361 -13.332 1.00 27.01 C +ATOM 508 CG PRO A 74 16.506 8.860 -13.389 1.00 32.02 C +ATOM 509 CD PRO A 74 16.934 8.550 -12.021 1.00 26.53 C +ATOM 510 N CYS A 75 12.243 8.127 -12.462 1.00 21.76 N +ATOM 511 CA CYS A 75 11.211 7.197 -12.812 1.00 24.72 C +ATOM 512 C CYS A 75 11.557 6.500 -14.132 1.00 24.43 C +ATOM 513 O CYS A 75 12.287 7.041 -14.957 1.00 26.56 O +ATOM 514 CB CYS A 75 9.875 7.912 -12.942 1.00 26.62 C +ATOM 515 SG CYS A 75 9.133 8.355 -11.354 1.00 26.94 S +ATOM 516 N PRO A 76 11.081 5.274 -14.322 1.00 20.88 N +ATOM 517 CA PRO A 76 11.545 4.540 -15.511 1.00 22.92 C +ATOM 518 C PRO A 76 11.163 5.263 -16.799 1.00 26.60 C +ATOM 519 O PRO A 76 10.004 5.586 -16.988 1.00 25.74 O +ATOM 520 CB PRO A 76 10.773 3.222 -15.423 1.00 29.79 C +ATOM 521 CG PRO A 76 10.360 3.082 -14.028 1.00 27.28 C +ATOM 522 CD PRO A 76 10.390 4.418 -13.367 1.00 23.82 C +ATOM 523 N LYS A 77 12.113 5.504 -17.685 1.00 23.10 N +ATOM 524 CA LYS A 77 11.821 6.342 -18.853 1.00 30.14 C +ATOM 525 C LYS A 77 10.881 5.663 -19.850 1.00 22.99 C +ATOM 526 O LYS A 77 10.179 6.338 -20.581 1.00 28.32 O +ATOM 527 CB LYS A 77 13.092 6.846 -19.540 1.00 36.49 C +ATOM 528 CG LYS A 77 14.046 5.781 -20.051 1.00 47.69 C +ATOM 529 CD LYS A 77 15.386 6.413 -20.520 1.00 68.53 C +ATOM 530 CE LYS A 77 16.464 5.359 -20.830 1.00 78.60 C +ATOM 531 NZ LYS A 77 16.914 4.605 -19.609 1.00 85.86 N +ATOM 532 N VAL A 78 10.793 4.343 -19.809 1.00 21.66 N +ATOM 533 CA VAL A 78 9.963 3.607 -20.742 1.00 15.13 C +ATOM 534 C VAL A 78 8.515 4.077 -20.731 1.00 21.51 C +ATOM 535 O VAL A 78 7.866 4.036 -21.762 1.00 26.29 O +ATOM 536 CB VAL A 78 10.013 2.096 -20.517 1.00 26.67 C +ATOM 537 CG1 VAL A 78 9.403 1.743 -19.178 1.00 29.93 C +ATOM 538 CG2 VAL A 78 9.270 1.385 -21.639 1.00 25.80 C +ATOM 539 N PHE A 79 8.014 4.549 -19.599 1.00 20.11 N +ATOM 540 CA PHE A 79 6.626 5.055 -19.531 1.00 27.31 C +ATOM 541 C PHE A 79 6.513 6.608 -19.581 1.00 26.77 C +ATOM 542 O PHE A 79 5.523 7.182 -19.137 1.00 27.78 O +ATOM 543 CB PHE A 79 5.901 4.505 -18.277 1.00 29.11 C +ATOM 544 CG PHE A 79 5.750 2.991 -18.263 1.00 35.07 C +ATOM 545 CD1 PHE A 79 5.326 2.303 -19.393 1.00 31.14 C +ATOM 546 CD2 PHE A 79 6.022 2.265 -17.111 1.00 38.85 C +ATOM 547 CE1 PHE A 79 5.204 0.918 -19.386 1.00 47.96 C +ATOM 548 CE2 PHE A 79 5.889 0.896 -17.094 1.00 43.53 C +ATOM 549 CZ PHE A 79 5.489 0.219 -18.236 1.00 43.07 C +ATOM 550 N SER A 80 7.516 7.261 -20.146 1.00 28.05 N +ATOM 551 CA SER A 80 7.562 8.722 -20.257 1.00 33.46 C +ATOM 552 C SER A 80 6.296 9.366 -20.813 1.00 28.89 C +ATOM 553 O SER A 80 5.920 10.439 -20.361 1.00 30.86 O +ATOM 554 CB SER A 80 8.758 9.134 -21.113 1.00 35.97 C +ATOM 555 OG SER A 80 9.957 8.715 -20.479 1.00 46.85 O +ATOM 556 N ASN A 81 5.610 8.705 -21.742 1.00 30.10 N +ATOM 557 CA ASN A 81 4.391 9.300 -22.346 1.00 37.71 C +ATOM 558 C ASN A 81 3.161 9.286 -21.451 1.00 36.75 C +ATOM 559 O ASN A 81 2.164 9.927 -21.774 1.00 31.78 O +ATOM 560 CB ASN A 81 4.053 8.645 -23.695 1.00 41.27 C +ATOM 561 CG ASN A 81 4.936 9.159 -24.817 1.00 47.14 C +ATOM 562 OD1 ASN A 81 5.004 10.361 -25.057 1.00 66.91 O +ATOM 563 ND2 ASN A 81 5.646 8.253 -25.481 1.00 55.84 N +ATOM 564 N PHE A 82 3.239 8.567 -20.334 1.00 34.01 N +ATOM 565 CA PHE A 82 2.131 8.444 -19.404 1.00 30.73 C +ATOM 566 C PHE A 82 2.391 9.178 -18.103 1.00 28.94 C +ATOM 567 O PHE A 82 1.579 9.066 -17.191 1.00 27.01 O +ATOM 568 CB PHE A 82 1.888 6.967 -19.078 1.00 31.78 C +ATOM 569 CG PHE A 82 1.667 6.101 -20.286 1.00 40.55 C +ATOM 570 CD1 PHE A 82 0.391 5.948 -20.826 1.00 50.63 C +ATOM 571 CD2 PHE A 82 2.723 5.421 -20.866 1.00 41.13 C +ATOM 572 CE1 PHE A 82 0.181 5.138 -21.935 1.00 62.31 C +ATOM 573 CE2 PHE A 82 2.524 4.606 -21.974 1.00 49.43 C +ATOM 574 CZ PHE A 82 1.251 4.464 -22.510 1.00 58.96 C +ATOM 575 N TYR A 83 3.527 9.875 -17.986 1.00 32.63 N +ATOM 576 CA TYR A 83 3.824 10.692 -16.791 1.00 32.11 C +ATOM 577 C TYR A 83 3.332 12.121 -16.952 1.00 34.46 C +ATOM 578 O TYR A 83 3.408 12.663 -18.042 1.00 36.53 O +ATOM 579 CB TYR A 83 5.330 10.754 -16.524 1.00 34.04 C +ATOM 580 CG TYR A 83 5.988 9.412 -16.285 1.00 37.93 C +ATOM 581 CD1 TYR A 83 5.308 8.364 -15.628 1.00 25.77 C +ATOM 582 CD2 TYR A 83 7.315 9.202 -16.665 1.00 40.78 C +ATOM 583 CE1 TYR A 83 5.940 7.135 -15.389 1.00 16.55 C +ATOM 584 CE2 TYR A 83 7.946 7.978 -16.441 1.00 33.96 C +ATOM 585 CZ TYR A 83 7.251 6.942 -15.805 1.00 26.76 C +ATOM 586 OH TYR A 83 7.866 5.712 -15.607 1.00 24.27 O +ATOM 587 N SER A 84 2.856 12.738 -15.869 1.00 31.71 N +ATOM 588 CA SER A 84 2.519 14.165 -15.897 1.00 38.06 C +ATOM 589 C SER A 84 3.639 15.069 -15.329 1.00 44.52 C +ATOM 590 O SER A 84 3.441 16.272 -15.156 1.00 46.20 O +ATOM 591 CB SER A 84 1.187 14.408 -15.163 1.00 38.10 C +ATOM 592 OG SER A 84 1.149 13.715 -13.930 1.00 27.30 O +ATOM 593 N LYS A 85 4.813 14.493 -15.058 1.00 50.22 N +ATOM 594 CA LYS A 85 5.938 15.223 -14.446 1.00 50.93 C +ATOM 595 C LYS A 85 7.202 14.359 -14.421 1.00 49.29 C +ATOM 596 O LYS A 85 7.125 13.126 -14.480 1.00 49.35 O +ATOM 597 CB LYS A 85 5.595 15.639 -13.004 1.00 54.85 C +ATOM 598 CG LYS A 85 5.243 14.461 -12.079 1.00 52.53 C +ATOM 599 CD LYS A 85 5.110 14.916 -10.633 1.00 58.92 C +ATOM 600 CE LYS A 85 4.856 13.739 -9.702 1.00 50.10 C +ATOM 601 NZ LYS A 85 5.111 14.105 -8.281 1.00 42.93 N +ATOM 602 N ALA A 86 8.361 15.004 -14.339 1.00 45.94 N +ATOM 603 CA ALA A 86 9.618 14.283 -14.182 1.00 42.39 C +ATOM 604 C ALA A 86 9.692 13.948 -12.721 1.00 36.89 C +ATOM 605 O ALA A 86 9.662 14.840 -11.910 1.00 37.57 O +ATOM 606 CB ALA A 86 10.810 15.145 -14.587 1.00 43.07 C +ATOM 607 N GLY A 87 9.763 12.664 -12.383 1.00 33.51 N +ATOM 608 CA GLY A 87 9.739 12.242 -10.994 1.00 27.02 C +ATOM 609 C GLY A 87 10.911 11.353 -10.703 1.00 22.11 C +ATOM 610 O GLY A 87 11.531 10.833 -11.625 1.00 22.38 O +ATOM 611 N ASN A 88 11.174 11.159 -9.412 1.00 17.98 N +ATOM 612 CA ASN A 88 12.177 10.215 -8.930 1.00 23.21 C +ATOM 613 C ASN A 88 11.573 9.266 -7.884 1.00 19.18 C +ATOM 614 O ASN A 88 10.607 9.606 -7.246 1.00 21.07 O +ATOM 615 CB ASN A 88 13.351 10.969 -8.326 1.00 24.42 C +ATOM 616 CG ASN A 88 14.002 11.923 -9.323 1.00 19.77 C +ATOM 617 OD1 ASN A 88 14.671 11.507 -10.255 1.00 22.94 O +ATOM 618 ND2 ASN A 88 13.800 13.196 -9.119 1.00 23.89 N +ATOM 619 N ILE A 89 12.164 8.085 -7.740 1.00 16.29 N +ATOM 620 CA ILE A 89 11.786 7.087 -6.753 1.00 15.89 C +ATOM 621 C ILE A 89 13.021 6.658 -5.978 1.00 14.55 C +ATOM 622 O ILE A 89 14.146 6.711 -6.502 1.00 16.79 O +ATOM 623 CB ILE A 89 11.085 5.870 -7.370 1.00 18.31 C +ATOM 624 CG1 ILE A 89 11.826 5.336 -8.611 1.00 20.38 C +ATOM 625 CG2 ILE A 89 9.648 6.245 -7.728 1.00 19.43 C +ATOM 626 CD1 ILE A 89 11.212 4.083 -9.204 1.00 23.32 C +ATOM 627 N SER A 90 12.797 6.259 -4.726 1.00 11.96 N +ATOM 628 CA SER A 90 13.848 5.978 -3.790 1.00 16.83 C +ATOM 629 C SER A 90 13.589 4.703 -3.001 1.00 11.79 C +ATOM 630 O SER A 90 12.470 4.260 -2.876 1.00 15.33 O +ATOM 631 CB SER A 90 13.995 7.143 -2.779 1.00 18.87 C +ATOM 632 OG SER A 90 14.327 8.376 -3.411 1.00 24.21 O +ATOM 633 N LYS A 91 14.665 4.143 -2.464 1.00 15.48 N +ATOM 634 CA LYS A 91 14.638 3.115 -1.431 1.00 17.71 C +ATOM 635 C LYS A 91 15.742 3.415 -0.435 1.00 18.74 C +ATOM 636 O LYS A 91 16.815 3.899 -0.814 1.00 18.63 O +ATOM 637 CB LYS A 91 14.925 1.731 -2.009 1.00 14.59 C +ATOM 638 CG LYS A 91 13.784 1.116 -2.786 1.00 12.65 C +ATOM 639 CD LYS A 91 14.094 -0.329 -3.055 1.00 18.73 C +ATOM 640 CE LYS A 91 13.133 -0.932 -4.010 1.00 13.58 C +ATOM 641 NZ LYS A 91 11.808 -1.100 -3.351 1.00 7.51 N +ATOM 642 N ASN A 92 15.481 3.091 0.823 1.00 15.50 N +ATOM 643 CA ASN A 92 16.480 3.139 1.854 1.00 18.52 C +ATOM 644 C ASN A 92 16.960 1.736 2.160 1.00 16.96 C +ATOM 645 O ASN A 92 16.172 0.806 2.237 1.00 19.37 O +ATOM 646 CB ASN A 92 15.909 3.750 3.146 1.00 24.03 C +ATOM 647 CG ASN A 92 15.496 5.201 2.989 1.00 31.50 C +ATOM 648 OD1 ASN A 92 16.192 5.993 2.346 1.00 33.19 O +ATOM 649 ND2 ASN A 92 14.359 5.561 3.588 1.00 30.69 N +ATOM 650 N CYS A 93 18.266 1.599 2.356 1.00 16.34 N +ATOM 651 CA CYS A 93 18.863 0.355 2.847 1.00 17.29 C +ATOM 652 C CYS A 93 18.994 0.475 4.337 1.00 19.32 C +ATOM 653 O CYS A 93 19.615 1.425 4.846 1.00 19.95 O +ATOM 654 CB CYS A 93 20.233 0.118 2.224 1.00 18.23 C +ATOM 655 SG CYS A 93 21.091 -1.377 2.770 1.00 21.62 S +ATOM 656 N THR A 94 18.373 -0.487 5.027 1.00 24.32 N +ATOM 657 CA THR A 94 18.424 -0.601 6.485 1.00 24.52 C +ATOM 658 C THR A 94 19.030 -1.959 6.870 1.00 27.84 C +ATOM 659 O THR A 94 19.165 -2.851 6.013 1.00 28.93 O +ATOM 660 CB THR A 94 17.000 -0.576 7.079 1.00 25.68 C +ATOM 661 OG1 THR A 94 16.270 -1.714 6.579 1.00 24.22 O +ATOM 662 CG2 THR A 94 16.271 0.738 6.715 1.00 22.27 C +ATOM 663 N SER A 95 19.329 -2.146 8.161 1.00 24.96 N +ATOM 664 CA SER A 95 19.857 -3.429 8.619 1.00 26.62 C +ATOM 665 C SER A 95 18.836 -4.584 8.532 1.00 28.79 C +ATOM 666 O SER A 95 19.173 -5.715 8.872 1.00 34.02 O +ATOM 667 CB SER A 95 20.423 -3.308 10.040 1.00 30.14 C +ATOM 668 OG SER A 95 19.480 -2.733 10.927 1.00 35.21 O +ATOM 669 N ASP A 96 17.601 -4.298 8.104 1.00 27.96 N +ATOM 670 CA ASP A 96 16.592 -5.334 7.797 1.00 29.94 C +ATOM 671 C ASP A 96 16.461 -5.590 6.311 1.00 32.37 C +ATOM 672 O ASP A 96 15.709 -6.480 5.896 1.00 37.12 O +ATOM 673 CB ASP A 96 15.211 -4.924 8.307 1.00 32.82 C +ATOM 674 CG ASP A 96 14.958 -5.388 9.702 1.00 36.83 C +ATOM 675 OD1 ASP A 96 14.967 -6.615 9.921 1.00 55.04 O +ATOM 676 OD2 ASP A 96 14.751 -4.530 10.578 1.00 39.08 O +ATOM 677 N GLY A 97 17.173 -4.805 5.506 1.00 27.08 N +ATOM 678 CA GLY A 97 17.074 -4.913 4.053 1.00 22.91 C +ATOM 679 C GLY A 97 16.516 -3.642 3.446 1.00 20.08 C +ATOM 680 O GLY A 97 16.459 -2.591 4.102 1.00 25.38 O +ATOM 681 N TRP A 98 16.089 -3.770 2.192 1.00 16.71 N +ATOM 682 CA TRP A 98 15.563 -2.673 1.381 1.00 15.75 C +ATOM 683 C TRP A 98 14.194 -2.277 1.866 1.00 15.09 C +ATOM 684 O TRP A 98 13.416 -3.142 2.234 1.00 18.57 O +ATOM 685 CB TRP A 98 15.423 -3.130 -0.055 1.00 12.95 C +ATOM 686 CG TRP A 98 16.683 -3.188 -0.851 1.00 17.75 C +ATOM 687 CD1 TRP A 98 17.262 -4.299 -1.381 1.00 14.30 C +ATOM 688 CD2 TRP A 98 17.471 -2.090 -1.271 1.00 13.45 C +ATOM 689 NE1 TRP A 98 18.373 -3.960 -2.079 1.00 19.48 N +ATOM 690 CE2 TRP A 98 18.521 -2.604 -2.027 1.00 8.72 C +ATOM 691 CE3 TRP A 98 17.398 -0.719 -1.062 1.00 16.60 C +ATOM 692 CZ2 TRP A 98 19.497 -1.796 -2.588 1.00 16.75 C +ATOM 693 CZ3 TRP A 98 18.363 0.082 -1.600 1.00 21.12 C +ATOM 694 CH2 TRP A 98 19.399 -0.454 -2.367 1.00 23.06 C +ATOM 695 N SER A 99 13.907 -0.976 1.849 1.00 20.43 N +ATOM 696 CA SER A 99 12.580 -0.454 2.128 1.00 18.38 C +ATOM 697 C SER A 99 11.742 -0.615 0.877 1.00 16.11 C +ATOM 698 O SER A 99 12.245 -0.912 -0.177 1.00 18.26 O +ATOM 699 CB SER A 99 12.639 1.035 2.472 1.00 20.74 C +ATOM 700 OG SER A 99 12.898 1.811 1.312 1.00 19.91 O +ATOM 701 N GLU A 100 10.449 -0.398 1.032 1.00 11.54 N +ATOM 702 CA GLU A 100 9.528 -0.241 -0.063 1.00 14.19 C +ATOM 703 C GLU A 100 9.942 1.028 -0.826 1.00 14.02 C +ATOM 704 O GLU A 100 10.562 1.936 -0.262 1.00 14.02 O +ATOM 705 CB GLU A 100 8.085 -0.132 0.487 1.00 17.38 C +ATOM 706 CG GLU A 100 7.479 -1.428 1.032 1.00 41.88 C +ATOM 707 CD GLU A 100 7.578 -2.602 0.077 1.00 55.44 C +ATOM 708 OE1 GLU A 100 7.127 -2.475 -1.088 1.00 66.69 O +ATOM 709 OE2 GLU A 100 8.107 -3.655 0.500 1.00 67.58 O +ATOM 710 N THR A 101 9.590 1.096 -2.099 1.00 14.13 N +ATOM 711 CA THR A 101 9.909 2.259 -2.902 1.00 11.55 C +ATOM 712 C THR A 101 9.079 3.428 -2.406 1.00 15.57 C +ATOM 713 O THR A 101 7.919 3.245 -2.102 1.00 15.84 O +ATOM 714 CB THR A 101 9.649 1.969 -4.374 1.00 12.54 C +ATOM 715 OG1 THR A 101 10.480 0.850 -4.756 1.00 12.59 O +ATOM 716 CG2 THR A 101 9.998 3.181 -5.253 1.00 10.78 C +ATOM 717 N PHE A 102 9.673 4.616 -2.313 1.00 16.15 N +ATOM 718 CA PHE A 102 8.918 5.815 -1.954 1.00 17.65 C +ATOM 719 C PHE A 102 9.268 7.021 -2.843 1.00 19.29 C +ATOM 720 O PHE A 102 10.408 7.157 -3.288 1.00 18.47 O +ATOM 721 CB PHE A 102 9.104 6.151 -0.474 1.00 17.36 C +ATOM 722 CG PHE A 102 10.504 6.515 -0.092 1.00 17.23 C +ATOM 723 CD1 PHE A 102 11.395 5.544 0.277 1.00 16.30 C +ATOM 724 CD2 PHE A 102 10.918 7.836 -0.083 1.00 22.94 C +ATOM 725 CE1 PHE A 102 12.682 5.866 0.633 1.00 15.42 C +ATOM 726 CE2 PHE A 102 12.201 8.172 0.279 1.00 21.45 C +ATOM 727 CZ PHE A 102 13.090 7.186 0.631 1.00 25.17 C +ATOM 728 N PRO A 103 8.268 7.860 -3.159 1.00 17.51 N +ATOM 729 CA PRO A 103 6.873 7.570 -2.967 1.00 12.59 C +ATOM 730 C PRO A 103 6.540 6.406 -3.880 1.00 14.81 C +ATOM 731 O PRO A 103 7.387 5.989 -4.693 1.00 18.13 O +ATOM 732 CB PRO A 103 6.174 8.835 -3.452 1.00 13.66 C +ATOM 733 CG PRO A 103 7.222 9.851 -3.513 1.00 22.73 C +ATOM 734 CD PRO A 103 8.460 9.148 -3.830 1.00 18.72 C +ATOM 735 N ASP A 104 5.337 5.872 -3.771 1.00 16.93 N +ATOM 736 CA ASP A 104 4.965 4.743 -4.610 1.00 19.37 C +ATOM 737 C ASP A 104 5.044 5.171 -6.037 1.00 21.65 C +ATOM 738 O ASP A 104 4.913 6.351 -6.331 1.00 22.62 O +ATOM 739 CB ASP A 104 3.573 4.218 -4.268 1.00 18.77 C +ATOM 740 CG ASP A 104 2.514 5.283 -4.362 1.00 24.25 C +ATOM 741 OD1 ASP A 104 2.239 5.966 -3.318 1.00 29.78 O +ATOM 742 OD2 ASP A 104 1.973 5.462 -5.481 1.00 26.74 O +ATOM 743 N PHE A 105 5.306 4.206 -6.908 1.00 23.34 N +ATOM 744 CA PHE A 105 5.528 4.439 -8.327 1.00 24.26 C +ATOM 745 C PHE A 105 4.463 5.359 -8.961 1.00 26.59 C +ATOM 746 O PHE A 105 4.776 6.307 -9.666 1.00 29.65 O +ATOM 747 CB PHE A 105 5.579 3.076 -9.045 1.00 29.27 C +ATOM 748 CG PHE A 105 5.598 3.181 -10.540 1.00 23.25 C +ATOM 749 CD1 PHE A 105 6.781 3.288 -11.221 1.00 33.61 C +ATOM 750 CD2 PHE A 105 4.417 3.185 -11.253 1.00 26.38 C +ATOM 751 CE1 PHE A 105 6.783 3.413 -12.561 1.00 34.90 C +ATOM 752 CE2 PHE A 105 4.427 3.299 -12.611 1.00 28.05 C +ATOM 753 CZ PHE A 105 5.604 3.424 -13.259 1.00 29.49 C +ATOM 754 N VAL A 106 3.198 5.075 -8.702 1.00 22.83 N +ATOM 755 CA VAL A 106 2.111 5.811 -9.341 1.00 22.44 C +ATOM 756 C VAL A 106 2.114 7.282 -8.937 1.00 25.49 C +ATOM 757 O VAL A 106 1.894 8.171 -9.770 1.00 31.24 O +ATOM 758 CB VAL A 106 0.760 5.191 -8.960 1.00 27.66 C +ATOM 759 CG1 VAL A 106 -0.395 6.145 -9.288 1.00 31.84 C +ATOM 760 CG2 VAL A 106 0.601 3.829 -9.647 1.00 29.66 C +ATOM 761 N ASP A 107 2.361 7.534 -7.658 1.00 23.03 N +ATOM 762 CA ASP A 107 2.420 8.887 -7.137 1.00 21.46 C +ATOM 763 C ASP A 107 3.733 9.605 -7.492 1.00 28.07 C +ATOM 764 O ASP A 107 3.719 10.781 -7.855 1.00 29.28 O +ATOM 765 CB ASP A 107 2.253 8.865 -5.616 1.00 21.17 C +ATOM 766 CG ASP A 107 0.820 8.544 -5.188 1.00 32.14 C +ATOM 767 OD1 ASP A 107 -0.102 9.223 -5.696 1.00 37.98 O +ATOM 768 OD2 ASP A 107 0.607 7.632 -4.345 1.00 33.65 O +ATOM 769 N ALA A 108 4.855 8.898 -7.377 1.00 25.26 N +ATOM 770 CA ALA A 108 6.177 9.488 -7.561 1.00 25.39 C +ATOM 771 C ALA A 108 6.331 9.957 -8.982 1.00 27.43 C +ATOM 772 O ALA A 108 6.932 11.002 -9.266 1.00 37.00 O +ATOM 773 CB ALA A 108 7.247 8.479 -7.251 1.00 18.76 C +ATOM 774 N CYS A 109 5.764 9.167 -9.878 1.00 29.45 N +ATOM 775 CA CYS A 109 5.980 9.341 -11.298 1.00 29.88 C +ATOM 776 C CYS A 109 4.844 10.102 -12.000 1.00 36.79 C +ATOM 777 O CYS A 109 5.006 10.529 -13.156 1.00 42.25 O +ATOM 778 CB CYS A 109 6.205 7.968 -11.926 1.00 29.43 C +ATOM 779 SG CYS A 109 7.589 7.069 -11.160 1.00 30.85 S +ATOM 780 N GLY A 110 3.720 10.300 -11.310 1.00 37.77 N +ATOM 781 CA GLY A 110 2.542 10.927 -11.916 1.00 32.57 C +ATOM 782 C GLY A 110 1.983 10.103 -13.070 1.00 34.06 C +ATOM 783 O GLY A 110 1.609 10.653 -14.120 1.00 33.38 O +ATOM 784 N TYR A 111 1.942 8.782 -12.873 1.00 30.19 N +ATOM 785 CA TYR A 111 1.510 7.841 -13.910 1.00 32.02 C +ATOM 786 C TYR A 111 -0.012 7.738 -14.032 1.00 34.84 C +ATOM 787 O TYR A 111 -0.695 7.586 -13.033 1.00 37.12 O +ATOM 788 CB TYR A 111 2.080 6.435 -13.633 1.00 31.66 C +ATOM 789 CG TYR A 111 1.603 5.404 -14.632 1.00 31.73 C +ATOM 790 CD1 TYR A 111 2.304 5.168 -15.801 1.00 38.27 C +ATOM 791 CD2 TYR A 111 0.432 4.688 -14.420 1.00 40.15 C +ATOM 792 CE1 TYR A 111 1.855 4.235 -16.733 1.00 32.15 C +ATOM 793 CE2 TYR A 111 -0.017 3.748 -15.341 1.00 40.52 C +ATOM 794 CZ TYR A 111 0.698 3.531 -16.492 1.00 34.36 C +ATOM 795 OH TYR A 111 0.266 2.611 -17.420 1.00 42.86 O +ATOM 796 N SER A 112 -0.530 7.791 -15.263 1.00 46.18 N +ATOM 797 CA SER A 112 -1.930 7.407 -15.546 1.00 52.11 C +ATOM 798 C SER A 112 -2.158 6.972 -17.014 1.00 57.20 C +ATOM 799 O SER A 112 -1.412 7.370 -17.924 1.00 53.66 O +ATOM 800 CB SER A 112 -2.901 8.539 -15.173 1.00 54.44 C +ATOM 801 OG SER A 112 -2.757 9.658 -16.032 1.00 51.69 O +ATOM 802 N ASP A 113 -3.195 6.162 -17.234 1.00 62.93 N +ATOM 803 CA ASP A 113 -3.557 5.721 -18.581 1.00 69.88 C +ATOM 804 C ASP A 113 -5.005 6.051 -18.918 1.00 73.22 C +ATOM 805 O ASP A 113 -5.894 5.752 -18.132 1.00 76.80 O +ATOM 806 CB ASP A 113 -3.348 4.216 -18.708 1.00 73.22 C +ATOM 807 CG ASP A 113 -3.493 3.732 -20.136 1.00 74.13 C +ATOM 808 OD1 ASP A 113 -4.598 3.868 -20.705 1.00 77.57 O +ATOM 809 OD2 ASP A 113 -2.499 3.218 -20.688 1.00 80.31 O +ATOM 810 N PRO A 114 -5.255 6.641 -20.103 1.00 80.13 N +ATOM 811 CA PRO A 114 -6.643 6.981 -20.472 1.00 81.33 C +ATOM 812 C PRO A 114 -7.490 5.755 -20.821 1.00 80.09 C +ATOM 813 O PRO A 114 -8.342 5.352 -20.029 1.00 76.08 O +ATOM 814 CB PRO A 114 -6.476 7.886 -21.699 1.00 81.85 C +ATOM 815 CG PRO A 114 -5.167 7.480 -22.300 1.00 83.68 C +ATOM 816 CD PRO A 114 -4.290 7.008 -21.162 1.00 80.62 C Added: SwiftApps/modFTdock/input/indata/2x57-3.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2x57-3.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2x57-3.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,814 @@ +ATOM 1 N SER B -15 38.874 -25.569 -40.094 1.00 28.08 N +ATOM 2 CA SER B -15 37.612 -25.991 -39.435 1.00 37.02 C +ATOM 3 C SER B -15 37.876 -27.197 -38.524 1.00 38.16 C +ATOM 4 O SER B -15 38.582 -28.148 -38.911 1.00 40.26 O +ATOM 5 CB SER B -15 36.531 -26.320 -40.468 1.00 39.97 C +ATOM 6 OG SER B -15 35.334 -26.759 -39.829 1.00 44.93 O +ATOM 7 N SER B -14 37.321 -27.163 -37.311 1.00 28.73 N +ATOM 8 CA SER B -14 37.675 -28.169 -36.326 1.00 22.82 C +ATOM 9 C SER B -14 36.449 -28.718 -35.664 1.00 17.51 C +ATOM 10 O SER B -14 35.334 -28.399 -36.039 1.00 20.76 O +ATOM 11 CB SER B -14 38.731 -27.646 -35.316 1.00 26.25 C +ATOM 12 OG SER B -14 38.197 -26.955 -34.193 1.00 23.98 O +ATOM 13 N GLY B -13 36.659 -29.607 -34.710 1.00 12.86 N +ATOM 14 CA GLY B -13 35.564 -30.096 -33.912 1.00 6.28 C +ATOM 15 C GLY B -13 34.853 -29.032 -33.162 1.00 7.32 C +ATOM 16 O GLY B -13 33.658 -29.149 -32.919 1.00 14.60 O +ATOM 17 N VAL B -12 35.563 -27.952 -32.844 1.00 9.95 N +ATOM 18 CA VAL B -12 34.966 -26.828 -32.174 1.00 11.72 C +ATOM 19 C VAL B -12 33.855 -26.201 -33.014 1.00 13.53 C +ATOM 20 O VAL B -12 32.769 -25.925 -32.496 1.00 14.22 O +ATOM 21 CB VAL B -12 36.038 -25.784 -31.796 1.00 12.27 C +ATOM 22 CG1 VAL B -12 35.397 -24.553 -31.236 1.00 17.56 C +ATOM 23 CG2 VAL B -12 36.985 -26.366 -30.788 1.00 12.16 C +ATOM 24 N ASP B -11 34.101 -26.031 -34.313 1.00 9.03 N +ATOM 25 CA ASP B -11 33.162 -25.343 -35.209 1.00 8.35 C +ATOM 26 C ASP B -11 31.917 -26.164 -35.442 1.00 5.35 C +ATOM 27 O ASP B -11 30.862 -25.625 -35.717 1.00 15.03 O +ATOM 28 CB ASP B -11 33.787 -25.077 -36.586 1.00 17.18 C +ATOM 29 CG ASP B -11 35.005 -24.177 -36.533 1.00 28.77 C +ATOM 30 OD1 ASP B -11 34.853 -22.956 -36.700 1.00 31.16 O +ATOM 31 OD2 ASP B -11 36.125 -24.685 -36.337 1.00 33.19 O +ATOM 32 N LEU B -10 32.065 -27.479 -35.406 1.00 5.00 N +ATOM 33 CA LEU B -10 30.952 -28.410 -35.640 1.00 12.75 C +ATOM 34 C LEU B -10 30.224 -28.776 -34.351 1.00 11.77 C +ATOM 35 O LEU B -10 29.234 -29.500 -34.397 1.00 16.02 O +ATOM 36 CB LEU B -10 31.466 -29.713 -36.294 1.00 11.18 C +ATOM 37 CG LEU B -10 32.102 -29.601 -37.699 1.00 19.90 C +ATOM 38 CD1 LEU B -10 32.655 -30.949 -38.159 1.00 9.99 C +ATOM 39 CD2 LEU B -10 31.108 -29.075 -38.731 1.00 30.75 C +ATOM 40 N GLY B -9 30.687 -28.288 -33.200 1.00 16.11 N +ATOM 41 CA GLY B -9 30.028 -28.633 -31.924 1.00 13.29 C +ATOM 42 C GLY B -9 28.643 -28.023 -31.911 1.00 13.77 C +ATOM 43 O GLY B -9 28.437 -26.980 -32.502 1.00 8.18 O +ATOM 44 N THR B -8 27.687 -28.655 -31.237 1.00 10.77 N +ATOM 45 CA THR B -8 26.301 -28.168 -31.232 1.00 8.68 C +ATOM 46 C THR B -8 26.115 -26.857 -30.501 1.00 9.44 C +ATOM 47 O THR B -8 25.211 -26.084 -30.816 1.00 11.88 O +ATOM 48 CB THR B -8 25.355 -29.249 -30.728 1.00 12.48 C +ATOM 49 OG1 THR B -8 25.940 -29.890 -29.597 1.00 12.03 O +ATOM 50 CG2 THR B -8 25.206 -30.302 -31.818 1.00 12.70 C +ATOM 51 N GLU B -7 27.030 -26.536 -29.603 1.00 9.90 N +ATOM 52 CA GLU B -7 26.986 -25.245 -28.944 1.00 11.87 C +ATOM 53 C GLU B -7 27.276 -24.149 -29.949 1.00 12.21 C +ATOM 54 O GLU B -7 26.569 -23.162 -30.023 1.00 12.69 O +ATOM 55 CB GLU B -7 27.988 -25.244 -27.785 1.00 20.06 C +ATOM 56 CG GLU B -7 27.482 -24.559 -26.580 1.00 26.73 C +ATOM 57 CD GLU B -7 28.450 -24.537 -25.422 1.00 22.29 C +ATOM 58 OE1 GLU B -7 29.185 -25.510 -25.186 1.00 17.86 O +ATOM 59 OE2 GLU B -7 28.467 -23.506 -24.756 1.00 21.04 O +ATOM 60 N ASN B -6 28.296 -24.331 -30.791 1.00 11.18 N +ATOM 61 CA ASN B -6 28.550 -23.341 -31.825 1.00 6.90 C +ATOM 62 C ASN B -6 27.450 -23.329 -32.884 1.00 9.95 C +ATOM 63 O ASN B -6 27.095 -22.283 -33.354 1.00 15.37 O +ATOM 64 CB ASN B -6 29.870 -23.595 -32.519 1.00 7.79 C +ATOM 65 CG ASN B -6 30.211 -22.518 -33.508 1.00 11.00 C +ATOM 66 OD1 ASN B -6 30.233 -21.340 -33.190 1.00 10.76 O +ATOM 67 ND2 ASN B -6 30.499 -22.923 -34.708 1.00 9.10 N +ATOM 68 N LEU B -5 26.926 -24.490 -33.272 1.00 11.12 N +ATOM 69 CA LEU B -5 25.848 -24.519 -34.298 1.00 11.52 C +ATOM 70 C LEU B -5 24.599 -23.748 -33.843 1.00 14.34 C +ATOM 71 O LEU B -5 23.983 -22.993 -34.615 1.00 17.31 O +ATOM 72 CB LEU B -5 25.510 -25.938 -34.701 1.00 16.44 C +ATOM 73 CG LEU B -5 26.688 -26.734 -35.322 1.00 32.16 C +ATOM 74 CD1 LEU B -5 26.278 -28.176 -35.701 1.00 26.28 C +ATOM 75 CD2 LEU B -5 27.347 -26.016 -36.525 1.00 25.56 C +ATOM 76 N TYR B -4 24.272 -23.868 -32.577 1.00 19.90 N +ATOM 77 CA TYR B -4 23.135 -23.148 -31.990 1.00 18.57 C +ATOM 78 C TYR B -4 23.359 -21.641 -32.080 1.00 20.60 C +ATOM 79 O TYR B -4 22.519 -20.923 -32.566 1.00 18.89 O +ATOM 80 CB TYR B -4 22.971 -23.611 -30.544 1.00 26.30 C +ATOM 81 CG TYR B -4 21.992 -22.859 -29.647 1.00 41.15 C +ATOM 82 CD1 TYR B -4 20.626 -22.931 -29.841 1.00 57.02 C +ATOM 83 CD2 TYR B -4 22.455 -22.140 -28.565 1.00 51.14 C +ATOM 84 CE1 TYR B -4 19.749 -22.281 -28.991 1.00 65.17 C +ATOM 85 CE2 TYR B -4 21.600 -21.489 -27.722 1.00 64.64 C +ATOM 86 CZ TYR B -4 20.242 -21.571 -27.918 1.00 52.84 C +ATOM 87 OH TYR B -4 19.391 -20.908 -27.045 1.00 62.67 O +ATOM 88 N PHE B -3 24.495 -21.171 -31.600 1.00 13.93 N +ATOM 89 CA PHE B -3 24.844 -19.792 -31.774 1.00 13.67 C +ATOM 90 C PHE B -3 24.842 -19.338 -33.223 1.00 13.67 C +ATOM 91 O PHE B -3 24.257 -18.324 -33.538 1.00 18.57 O +ATOM 92 CB PHE B -3 26.230 -19.511 -31.188 1.00 10.95 C +ATOM 93 CG PHE B -3 26.766 -18.135 -31.545 1.00 8.36 C +ATOM 94 CD1 PHE B -3 26.279 -17.024 -30.926 1.00 14.16 C +ATOM 95 CD2 PHE B -3 27.773 -17.985 -32.458 1.00 11.96 C +ATOM 96 CE1 PHE B -3 26.745 -15.785 -31.281 1.00 9.07 C +ATOM 97 CE2 PHE B -3 28.237 -16.774 -32.806 1.00 10.38 C +ATOM 98 CZ PHE B -3 27.714 -15.664 -32.224 1.00 13.41 C +ATOM 99 N GLN B -2 25.535 -20.040 -34.108 1.00 13.63 N +ATOM 100 CA GLN B -2 25.669 -19.570 -35.507 1.00 16.39 C +ATOM 101 C GLN B -2 24.288 -19.419 -36.150 1.00 15.01 C +ATOM 102 O GLN B -2 24.045 -18.466 -36.861 1.00 15.32 O +ATOM 103 CB GLN B -2 26.525 -20.515 -36.368 1.00 16.43 C +ATOM 104 CG GLN B -2 27.983 -20.685 -35.906 1.00 20.62 C +ATOM 105 CD GLN B -2 28.826 -19.451 -36.180 1.00 16.40 C +ATOM 106 OE1 GLN B -2 28.503 -18.688 -37.079 1.00 14.48 O +ATOM 107 NE2 GLN B -2 29.913 -19.266 -35.422 1.00 9.98 N +ATOM 108 N SER B -1 23.384 -20.346 -35.861 1.00 16.26 N +ATOM 109 CA SER B -1 22.028 -20.273 -36.399 1.00 19.79 C +ATOM 110 C SER B -1 21.241 -19.053 -35.912 1.00 21.85 C +ATOM 111 O SER B -1 20.202 -18.738 -36.459 1.00 28.65 O +ATOM 112 CB ASER B -1 21.235 -21.532 -36.041 0.50 17.77 C +ATOM 113 CB BSER B -1 21.254 -21.545 -36.086 0.50 17.61 C +ATOM 114 OG ASER B -1 20.812 -21.504 -34.679 0.50 16.60 O +ATOM 115 OG BSER B -1 21.935 -22.671 -36.596 0.50 23.05 O +ATOM 124 N ARG B 26 22.549 -15.911 -35.350 1.00 17.28 N +ATOM 125 CA ARG B 26 23.323 -14.703 -35.487 1.00 16.65 C +ATOM 126 C ARG B 26 22.508 -13.616 -36.156 1.00 20.15 C +ATOM 127 O ARG B 26 22.538 -12.483 -35.732 1.00 18.34 O +ATOM 128 CB ARG B 26 24.606 -14.959 -36.267 1.00 15.85 C +ATOM 129 CG ARG B 26 25.779 -15.432 -35.423 1.00 16.29 C +ATOM 130 CD ARG B 26 26.905 -15.981 -36.327 1.00 14.11 C +ATOM 131 NE ARG B 26 27.498 -14.870 -37.067 1.00 17.71 N +ATOM 132 CZ ARG B 26 28.442 -14.990 -38.003 1.00 23.12 C +ATOM 133 NH1 ARG B 26 28.911 -16.177 -38.348 1.00 19.98 N +ATOM 134 NH2 ARG B 26 28.900 -13.911 -38.619 1.00 25.44 N +ATOM 135 N PHE B 27 21.782 -13.951 -37.211 1.00 20.79 N +ATOM 136 CA PHE B 27 20.984 -12.943 -37.919 1.00 22.52 C +ATOM 137 C PHE B 27 19.932 -12.370 -36.998 1.00 18.52 C +ATOM 138 O PHE B 27 19.707 -11.188 -36.964 1.00 19.89 O +ATOM 139 CB PHE B 27 20.307 -13.531 -39.173 1.00 28.87 C +ATOM 140 CG PHE B 27 21.263 -13.960 -40.262 1.00 29.68 C +ATOM 141 CD1 PHE B 27 22.489 -13.346 -40.443 1.00 44.12 C +ATOM 142 CD2 PHE B 27 20.906 -14.971 -41.126 1.00 52.96 C +ATOM 143 CE1 PHE B 27 23.332 -13.751 -41.437 1.00 35.53 C +ATOM 144 CE2 PHE B 27 21.752 -15.371 -42.121 1.00 53.04 C +ATOM 145 CZ PHE B 27 22.967 -14.757 -42.277 1.00 53.44 C +ATOM 146 N HIS B 28 19.305 -13.236 -36.235 1.00 18.49 N +ATOM 147 CA HIS B 28 18.300 -12.855 -35.279 1.00 17.86 C +ATOM 148 C HIS B 28 18.865 -11.911 -34.249 1.00 25.21 C +ATOM 149 O HIS B 28 18.292 -10.879 -33.948 1.00 25.37 O +ATOM 150 CB HIS B 28 17.712 -14.134 -34.649 1.00 23.66 C +ATOM 151 CG HIS B 28 17.003 -13.910 -33.360 1.00 23.72 C +ATOM 152 ND1 HIS B 28 15.832 -13.193 -33.272 1.00 37.08 N +ATOM 153 CD2 HIS B 28 17.349 -14.228 -32.091 1.00 42.65 C +ATOM 154 CE1 HIS B 28 15.455 -13.124 -32.010 1.00 43.89 C +ATOM 155 NE2 HIS B 28 16.369 -13.725 -31.270 1.00 40.10 N +ATOM 156 N LEU B 29 20.004 -12.254 -33.690 1.00 23.19 N +ATOM 157 CA LEU B 29 20.549 -11.430 -32.636 1.00 18.73 C +ATOM 158 C LEU B 29 20.897 -10.056 -33.163 1.00 15.81 C +ATOM 159 O LEU B 29 20.737 -9.078 -32.478 1.00 19.38 O +ATOM 160 CB LEU B 29 21.790 -12.092 -32.029 1.00 20.78 C +ATOM 161 CG LEU B 29 21.588 -13.451 -31.296 1.00 21.23 C +ATOM 162 CD1 LEU B 29 22.889 -14.263 -31.235 1.00 21.47 C +ATOM 163 CD2 LEU B 29 21.016 -13.251 -29.933 1.00 19.56 C +ATOM 164 N GLU B 30 21.473 -10.009 -34.354 1.00 14.59 N +ATOM 165 CA GLU B 30 21.791 -8.770 -35.025 1.00 19.13 C +ATOM 166 C GLU B 30 20.566 -7.898 -35.261 1.00 18.71 C +ATOM 167 O GLU B 30 20.620 -6.710 -35.049 1.00 21.69 O +ATOM 168 CB GLU B 30 22.487 -9.057 -36.352 1.00 16.41 C +ATOM 169 CG GLU B 30 23.885 -9.611 -36.174 1.00 25.44 C +ATOM 170 CD GLU B 30 24.586 -9.868 -37.500 1.00 28.52 C +ATOM 171 OE1 GLU B 30 24.773 -8.897 -38.255 1.00 28.15 O +ATOM 172 OE2 GLU B 30 24.949 -11.027 -37.786 1.00 28.66 O +ATOM 173 N ILE B 31 19.472 -8.473 -35.726 1.00 20.01 N +ATOM 174 CA ILE B 31 18.278 -7.693 -35.995 1.00 18.76 C +ATOM 175 C ILE B 31 17.664 -7.205 -34.687 1.00 25.10 C +ATOM 176 O ILE B 31 17.249 -6.056 -34.580 1.00 21.74 O +ATOM 177 CB ILE B 31 17.297 -8.477 -36.895 1.00 24.59 C +ATOM 178 CG1 ILE B 31 17.954 -8.710 -38.263 1.00 23.76 C +ATOM 179 CG2 ILE B 31 15.948 -7.721 -37.081 1.00 19.96 C +ATOM 180 CD1 ILE B 31 17.256 -9.730 -39.180 1.00 26.80 C +ATOM 181 N GLN B 32 17.655 -8.039 -33.655 1.00 20.39 N +ATOM 182 CA GLN B 32 17.063 -7.640 -32.408 1.00 18.68 C +ATOM 183 C GLN B 32 17.850 -6.556 -31.795 1.00 15.05 C +ATOM 184 O GLN B 32 17.298 -5.678 -31.132 1.00 19.73 O +ATOM 185 CB GLN B 32 16.995 -8.826 -31.449 1.00 19.76 C +ATOM 186 CG GLN B 32 16.654 -8.520 -30.002 1.00 38.08 C +ATOM 187 CD GLN B 32 16.555 -9.817 -29.196 1.00 55.98 C +ATOM 188 OE1 GLN B 32 17.507 -10.235 -28.505 1.00 52.14 O +ATOM 189 NE2 GLN B 32 15.428 -10.496 -29.345 1.00 37.17 N +ATOM 190 N GLU B 33 19.162 -6.624 -31.942 1.00 17.37 N +ATOM 191 CA GLU B 33 20.002 -5.570 -31.432 1.00 18.94 C +ATOM 192 C GLU B 33 19.663 -4.224 -32.114 1.00 20.82 C +ATOM 193 O GLU B 33 19.672 -3.167 -31.478 1.00 18.41 O +ATOM 194 CB GLU B 33 21.466 -5.915 -31.677 1.00 25.03 C +ATOM 195 CG GLU B 33 22.483 -4.912 -31.160 1.00 24.86 C +ATOM 196 CD GLU B 33 22.245 -4.460 -29.704 1.00 73.21 C +ATOM 197 OE1 GLU B 33 21.682 -5.228 -28.870 1.00 53.83 O +ATOM 198 OE2 GLU B 33 22.635 -3.307 -29.393 1.00 92.90 O +ATOM 199 N GLU B 34 19.421 -4.267 -33.414 1.00 16.51 N +ATOM 200 CA GLU B 34 19.067 -3.055 -34.177 1.00 16.21 C +ATOM 201 C GLU B 34 17.692 -2.554 -33.747 1.00 15.91 C +ATOM 202 O GLU B 34 17.473 -1.345 -33.650 1.00 16.23 O +ATOM 203 CB GLU B 34 19.112 -3.288 -35.684 1.00 21.91 C +ATOM 204 CG GLU B 34 20.533 -3.318 -36.331 1.00 34.21 C +ATOM 205 CD GLU B 34 21.434 -2.195 -35.844 1.00 48.58 C +ATOM 206 OE1 GLU B 34 22.410 -2.477 -35.104 1.00 57.79 O +ATOM 207 OE2 GLU B 34 21.134 -1.022 -36.147 1.00 44.56 O +ATOM 208 N GLU B 35 16.793 -3.464 -33.418 1.00 14.91 N +ATOM 209 CA GLU B 35 15.465 -3.078 -32.952 1.00 17.00 C +ATOM 210 C GLU B 35 15.543 -2.426 -31.585 1.00 17.62 C +ATOM 211 O GLU B 35 14.878 -1.453 -31.338 1.00 17.46 O +ATOM 212 CB GLU B 35 14.525 -4.262 -32.855 1.00 16.32 C +ATOM 213 CG GLU B 35 13.937 -4.745 -34.135 1.00 19.81 C +ATOM 214 CD GLU B 35 13.121 -6.064 -33.914 1.00 32.22 C +ATOM 215 OE1 GLU B 35 13.627 -6.945 -33.201 1.00 44.19 O +ATOM 216 OE2 GLU B 35 12.008 -6.214 -34.445 1.00 49.53 O +ATOM 217 N THR B 36 16.326 -2.997 -30.690 1.00 13.59 N +ATOM 218 CA THR B 36 16.592 -2.365 -29.406 1.00 13.56 C +ATOM 219 C THR B 36 17.179 -0.959 -29.507 1.00 13.01 C +ATOM 220 O THR B 36 16.710 -0.044 -28.848 1.00 12.45 O +ATOM 221 CB THR B 36 17.583 -3.212 -28.591 1.00 17.82 C +ATOM 222 OG1 THR B 36 17.030 -4.525 -28.433 1.00 18.29 O +ATOM 223 CG2 THR B 36 17.839 -2.572 -27.160 1.00 18.08 C +ATOM 224 N LYS B 37 18.203 -0.775 -30.332 1.00 14.95 N +ATOM 225 CA LYS B 37 18.749 0.534 -30.500 1.00 14.38 C +ATOM 226 C LYS B 37 17.682 1.483 -31.053 1.00 16.87 C +ATOM 227 O LYS B 37 17.605 2.654 -30.669 1.00 14.77 O +ATOM 228 CB LYS B 37 19.926 0.480 -31.473 1.00 24.05 C +ATOM 229 CG LYS B 37 21.200 -0.143 -30.915 1.00 31.09 C +ATOM 230 CD LYS B 37 22.311 -0.123 -32.013 1.00 47.36 C +ATOM 231 CE LYS B 37 23.655 -0.671 -31.497 1.00 58.90 C +ATOM 232 NZ LYS B 37 24.693 -0.765 -32.573 1.00 64.10 N +ATOM 233 N CYS B 38 16.845 0.987 -31.949 1.00 15.07 N +ATOM 234 CA CYS B 38 15.790 1.841 -32.509 1.00 15.41 C +ATOM 235 C CYS B 38 14.861 2.298 -31.392 1.00 13.75 C +ATOM 236 O CYS B 38 14.573 3.478 -31.261 1.00 14.13 O +ATOM 237 CB CYS B 38 14.999 1.118 -33.612 1.00 15.33 C +ATOM 238 SG CYS B 38 13.866 2.208 -34.556 1.00 13.70 S +ATOM 239 N ALA B 39 14.421 1.356 -30.563 1.00 17.58 N +ATOM 240 CA ALA B 39 13.568 1.678 -29.394 1.00 15.14 C +ATOM 241 C ALA B 39 14.182 2.717 -28.443 1.00 8.67 C +ATOM 242 O ALA B 39 13.543 3.653 -28.039 1.00 11.51 O +ATOM 243 CB ALA B 39 13.283 0.448 -28.666 1.00 12.54 C +ATOM 244 N GLU B 40 15.441 2.539 -28.105 1.00 11.76 N +ATOM 245 CA GLU B 40 16.142 3.467 -27.246 1.00 10.47 C +ATOM 246 C GLU B 40 16.230 4.830 -27.902 1.00 12.01 C +ATOM 247 O GLU B 40 16.011 5.842 -27.266 1.00 14.61 O +ATOM 248 CB GLU B 40 17.563 2.952 -27.017 1.00 15.19 C +ATOM 249 CG GLU B 40 17.636 1.624 -26.235 1.00 24.47 C +ATOM 250 CD GLU B 40 17.082 1.762 -24.823 1.00 36.57 C +ATOM 251 OE1 GLU B 40 16.946 2.910 -24.343 1.00 37.09 O +ATOM 252 OE2 GLU B 40 16.782 0.727 -24.194 1.00 33.01 O +ATOM 253 N LEU B 41 16.561 4.862 -29.187 1.00 15.97 N +ATOM 254 CA LEU B 41 16.629 6.141 -29.941 1.00 16.14 C +ATOM 255 C LEU B 41 15.321 6.898 -29.910 1.00 13.53 C +ATOM 256 O LEU B 41 15.286 8.096 -29.638 1.00 18.56 O +ATOM 257 CB LEU B 41 17.034 5.908 -31.398 1.00 17.01 C +ATOM 258 CG LEU B 41 17.241 7.165 -32.293 1.00 27.03 C +ATOM 259 CD1 LEU B 41 18.316 8.104 -31.724 1.00 21.67 C +ATOM 260 CD2 LEU B 41 17.635 6.695 -33.719 1.00 24.47 C +ATOM 261 N LEU B 42 14.238 6.192 -30.157 1.00 12.44 N +ATOM 262 CA LEU B 42 12.938 6.831 -30.240 1.00 14.45 C +ATOM 263 C LEU B 42 12.590 7.296 -28.888 1.00 14.60 C +ATOM 264 O LEU B 42 12.027 8.367 -28.739 1.00 22.27 O +ATOM 265 CB LEU B 42 11.855 5.880 -30.766 1.00 12.17 C +ATOM 266 CG LEU B 42 12.025 5.294 -32.150 1.00 22.48 C +ATOM 267 CD1 LEU B 42 10.707 4.828 -32.736 1.00 17.21 C +ATOM 268 CD2 LEU B 42 12.734 6.221 -33.084 1.00 21.09 C +ATOM 269 N ARG B 43 12.989 6.552 -27.868 1.00 13.38 N +ATOM 270 CA ARG B 43 12.650 6.977 -26.512 1.00 15.61 C +ATOM 271 C ARG B 43 13.373 8.276 -26.110 1.00 24.17 C +ATOM 272 O ARG B 43 12.800 9.076 -25.403 1.00 18.78 O +ATOM 273 CB ARG B 43 13.030 5.906 -25.478 1.00 13.89 C +ATOM 274 CG ARG B 43 12.770 6.300 -23.995 1.00 18.95 C +ATOM 275 CD ARG B 43 11.275 6.592 -23.719 1.00 23.09 C +ATOM 276 NE ARG B 43 10.458 5.433 -24.100 1.00 27.07 N +ATOM 277 CZ ARG B 43 9.209 5.493 -24.560 1.00 37.28 C +ATOM 278 NH1 ARG B 43 8.581 6.658 -24.688 1.00 52.48 N +ATOM 279 NH2 ARG B 43 8.584 4.377 -24.915 1.00 31.70 N +ATOM 280 N SER B 44 14.651 8.392 -26.491 1.00 22.92 N +ATOM 281 CA SER B 44 15.520 9.541 -26.180 1.00 28.39 C +ATOM 282 C SER B 44 15.056 10.816 -26.887 1.00 26.70 C +ATOM 283 O SER B 44 15.453 11.897 -26.514 1.00 37.38 O +ATOM 284 CB SER B 44 16.962 9.255 -26.625 1.00 23.45 C +ATOM 285 OG SER B 44 17.033 9.456 -28.036 1.00 31.80 O +ATOM 286 N GLN B 45 14.212 10.674 -27.896 1.00 32.67 N +ATOM 287 CA GLN B 45 13.667 11.782 -28.675 1.00 37.43 C +ATOM 288 C GLN B 45 12.196 12.117 -28.374 1.00 45.72 C +ATOM 289 O GLN B 45 11.612 12.934 -29.102 1.00 44.36 O +ATOM 290 CB GLN B 45 13.704 11.406 -30.163 1.00 38.30 C +ATOM 291 CG GLN B 45 15.068 11.037 -30.719 1.00 54.41 C +ATOM 292 CD GLN B 45 15.703 12.204 -31.402 1.00 71.71 C +ATOM 293 OE1 GLN B 45 16.462 12.963 -30.791 1.00 62.07 O +ATOM 294 NE2 GLN B 45 15.356 12.399 -32.666 1.00 68.53 N +ATOM 295 N THR B 46 11.579 11.485 -27.363 1.00 49.90 N +ATOM 296 CA THR B 46 10.111 11.620 -27.161 1.00 55.85 C +ATOM 297 C THR B 46 9.618 13.039 -26.850 1.00 56.19 C +ATOM 298 O THR B 46 8.496 13.396 -27.225 1.00 55.40 O +ATOM 299 CB THR B 46 9.541 10.689 -26.050 1.00 57.76 C +ATOM 300 OG1 THR B 46 10.293 10.839 -24.834 1.00 59.05 O +ATOM 301 CG2 THR B 46 9.546 9.260 -26.508 1.00 53.85 C +ATOM 302 N GLU B 47 10.451 13.837 -26.177 1.00 56.50 N +ATOM 303 CA GLU B 47 10.094 15.236 -25.854 1.00 59.25 C +ATOM 304 C GLU B 47 10.066 16.163 -27.086 1.00 54.87 C +ATOM 305 O GLU B 47 9.495 17.244 -27.016 1.00 54.81 O +ATOM 306 CB GLU B 47 11.041 15.840 -24.791 1.00 57.10 C +ATOM 307 CG GLU B 47 11.276 14.974 -23.532 1.00 77.95 C +ATOM 308 CD GLU B 47 9.988 14.589 -22.796 1.00 91.97 C +ATOM 309 OE1 GLU B 47 9.025 15.390 -22.813 1.00 84.54 O +ATOM 310 OE2 GLU B 47 9.948 13.485 -22.194 1.00 86.12 O +ATOM 311 N LYS B 48 10.655 15.743 -28.207 1.00 50.31 N +ATOM 312 CA LYS B 48 10.796 16.639 -29.360 1.00 51.88 C +ATOM 313 C LYS B 48 9.590 16.790 -30.312 1.00 51.33 C +ATOM 314 O LYS B 48 9.475 17.817 -30.983 1.00 50.22 O +ATOM 315 CB LYS B 48 12.064 16.300 -30.141 1.00 52.86 C +ATOM 316 CG LYS B 48 13.286 16.923 -29.507 1.00 55.86 C +ATOM 317 CD LYS B 48 14.564 16.275 -29.966 1.00 74.07 C +ATOM 318 CE LYS B 48 15.755 16.930 -29.290 1.00 81.50 C +ATOM 319 NZ LYS B 48 16.956 16.070 -29.381 1.00 93.14 N +ATOM 320 N HIS B 49 8.706 15.796 -30.390 1.00 49.54 N +ATOM 321 CA HIS B 49 7.522 15.888 -31.273 1.00 52.47 C +ATOM 322 C HIS B 49 7.837 16.384 -32.714 1.00 51.03 C +ATOM 323 O HIS B 49 7.628 17.554 -33.052 1.00 53.86 O +ATOM 324 CB HIS B 49 6.438 16.789 -30.648 1.00 54.47 C +ATOM 325 CG HIS B 49 6.054 16.398 -29.249 1.00 66.39 C +ATOM 326 ND1 HIS B 49 5.912 15.082 -28.851 1.00 70.83 N +ATOM 327 CD2 HIS B 49 5.775 17.153 -28.158 1.00 63.96 C +ATOM 328 CE1 HIS B 49 5.573 15.043 -27.572 1.00 67.07 C +ATOM 329 NE2 HIS B 49 5.481 16.286 -27.129 1.00 76.43 N +ATOM 330 N LYS B 50 8.339 15.486 -33.549 1.00 41.75 N +ATOM 331 CA LYS B 50 8.650 15.813 -34.923 1.00 35.12 C +ATOM 332 C LYS B 50 7.496 15.449 -35.819 1.00 30.80 C +ATOM 333 O LYS B 50 6.629 14.682 -35.434 1.00 30.79 O +ATOM 334 CB LYS B 50 9.910 15.080 -35.351 1.00 33.91 C +ATOM 335 CG LYS B 50 11.132 15.466 -34.512 1.00 36.34 C +ATOM 336 CD LYS B 50 12.362 15.710 -35.374 1.00 34.47 C +ATOM 337 CE LYS B 50 13.515 16.263 -34.567 1.00 45.71 C +ATOM 338 NZ LYS B 50 14.821 15.705 -35.017 1.00 44.29 N +ATOM 339 N ALA B 51 7.506 15.983 -37.036 1.00 25.86 N +ATOM 340 CA ALA B 51 6.429 15.773 -38.003 1.00 25.37 C +ATOM 341 C ALA B 51 6.208 14.293 -38.351 1.00 25.45 C +ATOM 342 O ALA B 51 5.082 13.855 -38.540 1.00 27.48 O +ATOM 343 CB ALA B 51 6.740 16.545 -39.271 1.00 17.00 C +ATOM 344 N CYS B 52 7.285 13.540 -38.483 1.00 18.50 N +ATOM 345 CA CYS B 52 7.189 12.097 -38.742 1.00 21.22 C +ATOM 346 C CYS B 52 7.856 11.344 -37.594 1.00 18.53 C +ATOM 347 O CYS B 52 9.059 11.390 -37.431 1.00 17.28 O +ATOM 348 CB CYS B 52 7.859 11.731 -40.061 1.00 21.43 C +ATOM 349 SG CYS B 52 7.211 12.573 -41.569 1.00 21.31 S +ATOM 350 N SER B 53 7.054 10.680 -36.780 1.00 16.07 N +ATOM 351 CA SER B 53 7.558 9.954 -35.633 1.00 20.46 C +ATOM 352 C SER B 53 8.323 8.739 -36.104 1.00 21.17 C +ATOM 353 O SER B 53 8.191 8.325 -37.239 1.00 17.79 O +ATOM 354 CB SER B 53 6.403 9.577 -34.689 1.00 25.44 C +ATOM 355 OG SER B 53 5.498 8.733 -35.322 1.00 33.83 O +ATOM 356 N GLY B 54 9.151 8.191 -35.235 1.00 15.09 N +ATOM 357 CA GLY B 54 10.057 7.125 -35.599 1.00 15.97 C +ATOM 358 C GLY B 54 9.343 5.856 -35.964 1.00 12.81 C +ATOM 359 O GLY B 54 8.360 5.504 -35.350 1.00 13.56 O +ATOM 360 N VAL B 55 9.813 5.190 -37.021 1.00 13.79 N +ATOM 361 CA VAL B 55 9.203 3.954 -37.508 1.00 11.30 C +ATOM 362 C VAL B 55 10.250 2.937 -37.864 1.00 12.91 C +ATOM 363 O VAL B 55 11.416 3.269 -37.992 1.00 15.15 O +ATOM 364 CB VAL B 55 8.272 4.177 -38.716 1.00 17.33 C +ATOM 365 CG1 VAL B 55 7.109 5.095 -38.332 1.00 12.90 C +ATOM 366 CG2 VAL B 55 9.062 4.753 -39.862 1.00 13.72 C +ATOM 367 N TRP B 56 9.815 1.681 -37.983 1.00 15.66 N +ATOM 368 CA TRP B 56 10.684 0.546 -38.349 1.00 14.11 C +ATOM 369 C TRP B 56 10.072 -0.169 -39.525 1.00 14.77 C +ATOM 370 O TRP B 56 8.926 -0.582 -39.460 1.00 13.48 O +ATOM 371 CB TRP B 56 10.783 -0.393 -37.169 1.00 16.98 C +ATOM 372 CG TRP B 56 11.484 -1.653 -37.412 1.00 15.31 C +ATOM 373 CD1 TRP B 56 10.931 -2.804 -37.897 1.00 19.04 C +ATOM 374 CD2 TRP B 56 12.860 -1.935 -37.184 1.00 11.19 C +ATOM 375 NE1 TRP B 56 11.879 -3.753 -37.993 1.00 13.58 N +ATOM 376 CE2 TRP B 56 13.071 -3.260 -37.542 1.00 16.65 C +ATOM 377 CE3 TRP B 56 13.935 -1.186 -36.724 1.00 18.97 C +ATOM 378 CZ2 TRP B 56 14.319 -3.866 -37.483 1.00 17.33 C +ATOM 379 CZ3 TRP B 56 15.157 -1.791 -36.613 1.00 18.54 C +ATOM 380 CH2 TRP B 56 15.345 -3.124 -36.998 1.00 15.29 C +ATOM 381 N ASP B 57 10.782 -0.201 -40.647 1.00 13.92 N +ATOM 382 CA ASP B 57 10.437 -1.096 -41.738 1.00 11.69 C +ATOM 383 C ASP B 57 11.647 -1.436 -42.569 1.00 10.67 C +ATOM 384 O ASP B 57 12.679 -0.851 -42.407 1.00 10.56 O +ATOM 385 CB ASP B 57 9.233 -0.595 -42.564 1.00 20.17 C +ATOM 386 CG ASP B 57 9.543 0.569 -43.454 1.00 27.10 C +ATOM 387 OD1 ASP B 57 10.615 0.602 -44.097 1.00 22.59 O +ATOM 388 OD2 ASP B 57 8.645 1.412 -43.562 1.00 27.63 O +ATOM 389 N ASN B 58 11.538 -2.440 -43.405 1.00 13.53 N +ATOM 390 CA ASN B 58 12.684 -2.868 -44.160 1.00 16.62 C +ATOM 391 C ASN B 58 13.847 -3.139 -43.228 1.00 18.59 C +ATOM 392 O ASN B 58 15.015 -2.918 -43.558 1.00 16.04 O +ATOM 393 CB ASN B 58 13.035 -1.841 -45.258 1.00 17.64 C +ATOM 394 CG ASN B 58 12.134 -1.942 -46.423 1.00 14.85 C +ATOM 395 OD1 ASN B 58 12.382 -2.709 -47.338 1.00 18.97 O +ATOM 396 ND2 ASN B 58 11.005 -1.270 -46.340 1.00 14.35 N +ATOM 397 N ILE B 59 13.494 -3.673 -42.074 1.00 19.91 N +ATOM 398 CA ILE B 59 14.431 -3.992 -40.979 1.00 17.68 C +ATOM 399 C ILE B 59 15.410 -2.895 -40.708 1.00 17.69 C +ATOM 400 O ILE B 59 16.558 -3.126 -40.465 1.00 18.71 O +ATOM 401 CB ILE B 59 15.121 -5.411 -41.082 1.00 22.64 C +ATOM 402 CG1 ILE B 59 15.913 -5.604 -42.352 1.00 37.87 C +ATOM 403 CG2 ILE B 59 14.098 -6.517 -41.032 1.00 27.60 C +ATOM 404 CD1 ILE B 59 16.715 -6.905 -42.349 1.00 47.42 C +ATOM 405 N THR B 60 14.881 -1.675 -40.673 1.00 17.79 N +ATOM 406 CA THR B 60 15.649 -0.472 -40.550 1.00 15.27 C +ATOM 407 C THR B 60 14.914 0.486 -39.640 1.00 14.19 C +ATOM 408 O THR B 60 13.709 0.608 -39.733 1.00 16.32 O +ATOM 409 CB THR B 60 15.824 0.191 -41.975 1.00 14.71 C +ATOM 410 OG1 THR B 60 16.562 -0.702 -42.814 1.00 21.35 O +ATOM 411 CG2 THR B 60 16.574 1.521 -41.912 1.00 9.08 C +ATOM 412 N CYS B 61 15.649 1.139 -38.758 1.00 14.62 N +ATOM 413 CA CYS B 61 15.143 2.221 -37.963 1.00 14.96 C +ATOM 414 C CYS B 61 15.151 3.506 -38.761 1.00 13.75 C +ATOM 415 O CYS B 61 16.175 3.907 -39.287 1.00 18.21 O +ATOM 416 CB CYS B 61 16.037 2.418 -36.727 1.00 20.84 C +ATOM 417 SG CYS B 61 15.319 3.495 -35.454 1.00 20.21 S +ATOM 418 N TRP B 62 13.997 4.148 -38.820 1.00 13.45 N +ATOM 419 CA TRP B 62 13.827 5.426 -39.472 1.00 16.40 C +ATOM 420 C TRP B 62 13.551 6.458 -38.373 1.00 14.57 C +ATOM 421 O TRP B 62 12.451 6.521 -37.806 1.00 16.85 O +ATOM 422 CB TRP B 62 12.650 5.345 -40.460 1.00 15.28 C +ATOM 423 CG TRP B 62 12.826 4.270 -41.498 1.00 12.10 C +ATOM 424 CD1 TRP B 62 12.245 3.084 -41.511 1.00 10.63 C +ATOM 425 CD2 TRP B 62 13.684 4.311 -42.627 1.00 7.27 C +ATOM 426 NE1 TRP B 62 12.660 2.365 -42.572 1.00 14.57 N +ATOM 427 CE2 TRP B 62 13.533 3.120 -43.294 1.00 13.32 C +ATOM 428 CE3 TRP B 62 14.540 5.266 -43.138 1.00 13.76 C +ATOM 429 CZ2 TRP B 62 14.244 2.811 -44.446 1.00 16.14 C +ATOM 430 CZ3 TRP B 62 15.202 5.002 -44.269 1.00 14.19 C +ATOM 431 CH2 TRP B 62 15.086 3.758 -44.911 1.00 17.52 C +ATOM 432 N ARG B 63 14.585 7.190 -38.010 1.00 15.86 N +ATOM 433 CA ARG B 63 14.524 8.133 -36.938 1.00 15.86 C +ATOM 434 C ARG B 63 13.499 9.257 -37.138 1.00 18.22 C +ATOM 435 O ARG B 63 13.093 9.572 -38.253 1.00 20.12 O +ATOM 436 CB ARG B 63 15.937 8.672 -36.674 1.00 17.61 C +ATOM 437 CG ARG B 63 16.625 9.343 -37.861 1.00 28.75 C +ATOM 438 CD ARG B 63 16.405 10.805 -37.861 1.00 26.37 C +ATOM 439 NE ARG B 63 17.186 11.468 -38.901 1.00 24.08 N +ATOM 440 CZ ARG B 63 16.865 12.634 -39.433 1.00 22.97 C +ATOM 441 NH1 ARG B 63 15.755 13.264 -39.059 1.00 21.00 N +ATOM 442 NH2 ARG B 63 17.634 13.150 -40.364 1.00 25.42 N +ATOM 443 N PRO B 64 13.056 9.867 -36.049 1.00 17.98 N +ATOM 444 CA PRO B 64 12.065 10.906 -36.198 1.00 13.88 C +ATOM 445 C PRO B 64 12.586 12.008 -37.064 1.00 13.89 C +ATOM 446 O PRO B 64 13.757 12.265 -37.050 1.00 15.07 O +ATOM 447 CB PRO B 64 11.833 11.395 -34.759 1.00 16.90 C +ATOM 448 CG PRO B 64 12.177 10.213 -33.908 1.00 22.29 C +ATOM 449 CD PRO B 64 13.369 9.600 -34.640 1.00 25.67 C +ATOM 450 N ALA B 65 11.709 12.662 -37.812 1.00 17.06 N +ATOM 451 CA ALA B 65 12.171 13.540 -38.868 1.00 21.64 C +ATOM 452 C ALA B 65 11.210 14.676 -39.046 1.00 22.36 C +ATOM 453 O ALA B 65 10.064 14.578 -38.622 1.00 18.52 O +ATOM 454 CB ALA B 65 12.306 12.736 -40.176 1.00 16.44 C +ATOM 455 N ASN B 66 11.666 15.747 -39.695 1.00 15.65 N +ATOM 456 CA ASN B 66 10.764 16.815 -40.077 1.00 15.90 C +ATOM 457 C ASN B 66 10.442 16.823 -41.533 1.00 19.88 C +ATOM 458 O ASN B 66 11.137 16.227 -42.331 1.00 23.51 O +ATOM 459 CB ASN B 66 11.337 18.133 -39.648 1.00 23.40 C +ATOM 460 CG ASN B 66 11.160 18.354 -38.134 1.00 35.40 C +ATOM 461 OD1 ASN B 66 10.058 18.183 -37.554 1.00 28.62 O +ATOM 462 ND2 ASN B 66 12.235 18.697 -37.503 1.00 23.47 N +ATOM 463 N VAL B 67 9.366 17.502 -41.865 1.00 16.89 N +ATOM 464 CA VAL B 67 8.878 17.559 -43.224 1.00 18.05 C +ATOM 465 C VAL B 67 10.001 18.006 -44.143 1.00 19.47 C +ATOM 466 O VAL B 67 10.691 18.949 -43.855 1.00 21.60 O +ATOM 467 CB VAL B 67 7.688 18.531 -43.348 1.00 24.99 C +ATOM 468 CG1 VAL B 67 7.287 18.781 -44.839 1.00 21.15 C +ATOM 469 CG2 VAL B 67 6.492 17.992 -42.536 1.00 18.16 C +ATOM 470 N GLY B 68 10.148 17.330 -45.277 1.00 24.05 N +ATOM 471 CA GLY B 68 11.154 17.711 -46.282 1.00 22.28 C +ATOM 472 C GLY B 68 12.475 16.987 -46.124 1.00 25.72 C +ATOM 473 O GLY B 68 13.335 17.059 -46.989 1.00 25.61 O +ATOM 474 N GLU B 69 12.648 16.268 -45.022 1.00 25.19 N +ATOM 475 CA GLU B 69 13.878 15.505 -44.837 1.00 23.53 C +ATOM 476 C GLU B 69 13.798 14.168 -45.534 1.00 19.46 C +ATOM 477 O GLU B 69 12.753 13.548 -45.567 1.00 22.98 O +ATOM 478 CB GLU B 69 14.131 15.239 -43.366 1.00 25.69 C +ATOM 479 CG GLU B 69 14.555 16.407 -42.525 1.00 24.84 C +ATOM 480 CD GLU B 69 15.156 15.930 -41.216 1.00 25.07 C +ATOM 481 OE1 GLU B 69 16.352 15.616 -41.170 1.00 30.58 O +ATOM 482 OE2 GLU B 69 14.425 15.831 -40.225 1.00 26.31 O +ATOM 483 N THR B 70 14.923 13.718 -46.042 1.00 20.43 N +ATOM 484 CA THR B 70 15.065 12.377 -46.588 1.00 20.89 C +ATOM 485 C THR B 70 16.086 11.662 -45.700 1.00 23.41 C +ATOM 486 O THR B 70 17.157 12.181 -45.438 1.00 24.07 O +ATOM 487 CB THR B 70 15.514 12.390 -48.075 1.00 24.71 C +ATOM 488 OG1 THR B 70 14.494 12.992 -48.871 1.00 24.70 O +ATOM 489 CG2 THR B 70 15.759 10.975 -48.602 1.00 19.86 C +ATOM 490 N VAL B 71 15.724 10.500 -45.172 1.00 19.49 N +ATOM 491 CA VAL B 71 16.656 9.722 -44.384 1.00 15.74 C +ATOM 492 C VAL B 71 17.160 8.616 -45.289 1.00 17.03 C +ATOM 493 O VAL B 71 16.374 7.935 -45.924 1.00 16.55 O +ATOM 494 CB VAL B 71 15.944 9.134 -43.119 1.00 18.80 C +ATOM 495 CG1 VAL B 71 16.864 8.182 -42.331 1.00 18.22 C +ATOM 496 CG2 VAL B 71 15.429 10.230 -42.236 1.00 17.59 C +ATOM 497 N THR B 72 18.468 8.475 -45.402 1.00 17.55 N +ATOM 498 CA THR B 72 19.072 7.456 -46.255 1.00 17.54 C +ATOM 499 C THR B 72 20.056 6.680 -45.436 1.00 18.86 C +ATOM 500 O THR B 72 20.799 7.243 -44.659 1.00 26.47 O +ATOM 501 CB THR B 72 19.819 8.071 -47.464 1.00 21.45 C +ATOM 502 OG1 THR B 72 18.876 8.763 -48.263 1.00 19.53 O +ATOM 503 CG2 THR B 72 20.470 6.979 -48.352 1.00 28.42 C +ATOM 504 N VAL B 73 20.007 5.368 -45.553 1.00 19.85 N +ATOM 505 CA VAL B 73 20.940 4.534 -44.814 1.00 20.61 C +ATOM 506 C VAL B 73 21.428 3.407 -45.707 1.00 24.82 C +ATOM 507 O VAL B 73 20.751 3.032 -46.677 1.00 22.38 O +ATOM 508 CB VAL B 73 20.270 3.925 -43.567 1.00 26.45 C +ATOM 509 CG1 VAL B 73 19.796 5.025 -42.637 1.00 27.25 C +ATOM 510 CG2 VAL B 73 19.116 3.013 -43.980 1.00 22.19 C +ATOM 511 N PRO B 74 22.600 2.849 -45.380 1.00 25.43 N +ATOM 512 CA PRO B 74 23.004 1.646 -46.072 1.00 23.33 C +ATOM 513 C PRO B 74 22.045 0.470 -45.841 1.00 23.58 C +ATOM 514 O PRO B 74 21.313 0.428 -44.852 1.00 25.07 O +ATOM 515 CB PRO B 74 24.389 1.349 -45.497 1.00 27.10 C +ATOM 516 CG PRO B 74 24.504 2.163 -44.274 1.00 32.26 C +ATOM 517 CD PRO B 74 23.599 3.314 -44.410 1.00 25.89 C +ATOM 518 N CYS B 75 22.028 -0.471 -46.774 1.00 22.42 N +ATOM 519 CA CYS B 75 21.195 -1.644 -46.614 1.00 25.30 C +ATOM 520 C CYS B 75 21.608 -2.375 -45.324 1.00 23.87 C +ATOM 521 O CYS B 75 22.748 -2.288 -44.903 1.00 26.27 O +ATOM 522 CB CYS B 75 21.328 -2.556 -47.839 1.00 26.68 C +ATOM 523 SG CYS B 75 20.404 -1.964 -49.226 1.00 27.66 S +ATOM 524 N PRO B 76 20.674 -3.078 -44.692 1.00 20.94 N +ATOM 525 CA PRO B 76 21.000 -3.742 -43.443 1.00 22.43 C +ATOM 526 C PRO B 76 22.202 -4.658 -43.554 1.00 27.11 C +ATOM 527 O PRO B 76 22.214 -5.582 -44.377 1.00 27.19 O +ATOM 528 CB PRO B 76 19.765 -4.572 -43.155 1.00 29.77 C +ATOM 529 CG PRO B 76 18.672 -3.963 -43.905 1.00 27.77 C +ATOM 530 CD PRO B 76 19.254 -3.182 -45.032 1.00 23.98 C +ATOM 531 N LYS B 77 23.193 -4.368 -42.725 1.00 25.96 N +ATOM 532 CA LYS B 77 24.492 -5.032 -42.686 1.00 31.22 C +ATOM 533 C LYS B 77 24.397 -6.548 -42.370 1.00 29.12 C +ATOM 534 O LYS B 77 25.235 -7.338 -42.804 1.00 26.25 O +ATOM 535 CB LYS B 77 25.360 -4.340 -41.616 1.00 39.67 C +ATOM 536 CG LYS B 77 26.886 -4.467 -41.797 1.00 51.20 C +ATOM 537 CD LYS B 77 27.647 -3.846 -40.615 1.00 60.54 C +ATOM 538 N VAL B 78 23.369 -6.937 -41.631 1.00 23.88 N +ATOM 539 CA VAL B 78 23.159 -8.306 -41.268 1.00 19.23 C +ATOM 540 C VAL B 78 23.165 -9.212 -42.510 1.00 27.62 C +ATOM 541 O VAL B 78 23.657 -10.330 -42.451 1.00 33.64 O +ATOM 542 CB VAL B 78 21.876 -8.490 -40.469 1.00 26.11 C +ATOM 543 CG1 VAL B 78 20.667 -7.976 -41.256 1.00 20.12 C +ATOM 544 CG2 VAL B 78 21.691 -9.969 -40.081 1.00 19.47 C +ATOM 545 N PHE B 79 22.678 -8.716 -43.642 1.00 29.54 N +ATOM 546 CA PHE B 79 22.658 -9.504 -44.870 1.00 24.05 C +ATOM 547 C PHE B 79 23.725 -9.137 -45.903 1.00 22.71 C +ATOM 548 O PHE B 79 23.564 -9.453 -47.071 1.00 26.45 O +ATOM 549 CB PHE B 79 21.244 -9.475 -45.467 1.00 21.18 C +ATOM 550 CG PHE B 79 20.203 -10.080 -44.567 1.00 26.21 C +ATOM 551 CD1 PHE B 79 20.435 -11.283 -43.918 1.00 34.48 C +ATOM 552 CD2 PHE B 79 18.985 -9.461 -44.377 1.00 29.37 C +ATOM 553 CE1 PHE B 79 19.472 -11.837 -43.082 1.00 40.12 C +ATOM 554 CE2 PHE B 79 18.010 -10.023 -43.552 1.00 39.68 C +ATOM 555 CZ PHE B 79 18.256 -11.211 -42.912 1.00 30.57 C +ATOM 556 N SER B 80 24.836 -8.551 -45.460 1.00 21.46 N +ATOM 557 CA SER B 80 25.925 -8.119 -46.348 1.00 28.29 C +ATOM 558 C SER B 80 26.356 -9.193 -47.338 1.00 32.13 C +ATOM 559 O SER B 80 26.616 -8.905 -48.490 1.00 29.58 O +ATOM 560 CB SER B 80 27.177 -7.742 -45.553 1.00 32.76 C +ATOM 561 OG SER B 80 26.925 -6.755 -44.579 1.00 47.63 O +ATOM 562 N ASN B 81 26.455 -10.428 -46.870 1.00 36.05 N +ATOM 563 CA ASN B 81 26.925 -11.518 -47.707 1.00 34.60 C +ATOM 564 C ASN B 81 25.942 -11.939 -48.799 1.00 33.02 C +ATOM 565 O ASN B 81 26.305 -12.708 -49.689 1.00 29.32 O +ATOM 566 CB ASN B 81 27.294 -12.723 -46.836 1.00 38.27 C +ATOM 567 CG ASN B 81 28.459 -12.425 -45.874 1.00 54.64 C +ATOM 568 OD1 ASN B 81 29.101 -11.376 -45.953 1.00 65.37 O +ATOM 569 ND2 ASN B 81 28.717 -13.347 -44.957 1.00 57.21 N +ATOM 570 N PHE B 82 24.711 -11.442 -48.752 1.00 28.95 N +ATOM 571 CA PHE B 82 23.711 -11.810 -49.758 1.00 27.78 C +ATOM 572 C PHE B 82 23.454 -10.713 -50.788 1.00 21.45 C +ATOM 573 O PHE B 82 22.643 -10.899 -51.696 1.00 20.51 O +ATOM 574 CB PHE B 82 22.412 -12.242 -49.068 1.00 31.83 C +ATOM 575 CG PHE B 82 22.601 -13.386 -48.098 1.00 36.26 C +ATOM 576 CD1 PHE B 82 22.541 -14.703 -48.525 1.00 42.16 C +ATOM 577 CD2 PHE B 82 22.858 -13.138 -46.758 1.00 43.84 C +ATOM 578 CE1 PHE B 82 22.734 -15.759 -47.624 1.00 34.30 C +ATOM 579 CE2 PHE B 82 23.053 -14.181 -45.860 1.00 39.20 C +ATOM 580 CZ PHE B 82 22.989 -15.493 -46.295 1.00 48.84 C +ATOM 581 N TYR B 83 24.144 -9.580 -50.656 1.00 21.80 N +ATOM 582 CA TYR B 83 23.956 -8.449 -51.564 1.00 17.47 C +ATOM 583 C TYR B 83 24.837 -8.591 -52.807 1.00 26.05 C +ATOM 584 O TYR B 83 26.026 -8.878 -52.695 1.00 28.20 O +ATOM 585 CB TYR B 83 24.295 -7.148 -50.863 1.00 25.51 C +ATOM 586 CG TYR B 83 23.430 -6.839 -49.640 1.00 25.96 C +ATOM 587 CD1 TYR B 83 22.129 -7.308 -49.544 1.00 25.89 C +ATOM 588 CD2 TYR B 83 23.906 -6.056 -48.616 1.00 28.20 C +ATOM 589 CE1 TYR B 83 21.347 -7.019 -48.481 1.00 18.26 C +ATOM 590 CE2 TYR B 83 23.120 -5.777 -47.513 1.00 16.71 C +ATOM 591 CZ TYR B 83 21.845 -6.260 -47.462 1.00 18.14 C +ATOM 592 OH TYR B 83 21.047 -5.982 -46.388 1.00 26.51 O +ATOM 593 N SER B 84 24.244 -8.384 -53.984 1.00 24.34 N +ATOM 594 CA SER B 84 24.958 -8.462 -55.254 1.00 30.48 C +ATOM 595 C SER B 84 25.398 -7.083 -55.767 1.00 33.99 C +ATOM 596 O SER B 84 26.093 -7.014 -56.782 1.00 35.43 O +ATOM 597 CB SER B 84 24.084 -9.169 -56.308 1.00 27.28 C +ATOM 598 OG SER B 84 22.933 -8.394 -56.620 1.00 26.68 O +ATOM 599 N LYS B 85 24.995 -5.996 -55.093 1.00 35.68 N +ATOM 600 CA LYS B 85 25.438 -4.627 -55.471 1.00 39.13 C +ATOM 601 C LYS B 85 25.518 -3.644 -54.303 1.00 39.93 C +ATOM 602 O LYS B 85 24.911 -3.845 -53.265 1.00 30.36 O +ATOM 603 CB LYS B 85 24.548 -4.033 -56.576 1.00 43.16 C +ATOM 604 CG LYS B 85 23.083 -3.783 -56.195 1.00 40.78 C +ATOM 605 CD LYS B 85 22.228 -3.640 -57.467 1.00 55.37 C +ATOM 606 CE LYS B 85 20.785 -3.259 -57.152 1.00 56.20 C +ATOM 607 NZ LYS B 85 20.649 -1.840 -56.683 1.00 48.41 N +ATOM 608 N ALA B 86 26.296 -2.584 -54.475 1.00 42.38 N +ATOM 609 CA ALA B 86 26.395 -1.549 -53.452 1.00 45.51 C +ATOM 610 C ALA B 86 25.063 -0.813 -53.456 1.00 42.80 C +ATOM 611 O ALA B 86 24.547 -0.460 -54.518 1.00 39.71 O +ATOM 612 CB ALA B 86 27.551 -0.579 -53.765 1.00 49.46 C +ATOM 613 N GLY B 87 24.472 -0.600 -52.294 1.00 36.38 N +ATOM 614 CA GLY B 87 23.163 0.045 -52.299 1.00 37.20 C +ATOM 615 C GLY B 87 22.633 0.545 -50.980 1.00 31.57 C +ATOM 616 O GLY B 87 23.065 0.088 -49.910 1.00 38.97 O +ATOM 617 N ASN B 88 21.640 1.436 -51.081 1.00 19.06 N +ATOM 618 CA ASN B 88 21.111 2.118 -49.938 1.00 20.60 C +ATOM 619 C ASN B 88 19.605 2.256 -50.048 1.00 13.68 C +ATOM 620 O ASN B 88 19.037 2.068 -51.115 1.00 17.35 O +ATOM 621 CB ASN B 88 21.823 3.466 -49.717 1.00 16.85 C +ATOM 622 CG ASN B 88 22.148 4.166 -50.989 1.00 45.93 C +ATOM 623 OD1 ASN B 88 21.425 5.064 -51.431 1.00 58.50 O +ATOM 624 ND2 ASN B 88 23.255 3.770 -51.601 1.00 66.44 N +ATOM 625 N ILE B 89 18.966 2.515 -48.912 1.00 16.72 N +ATOM 626 CA ILE B 89 17.523 2.717 -48.851 1.00 16.36 C +ATOM 627 C ILE B 89 17.206 4.028 -48.177 1.00 13.74 C +ATOM 628 O ILE B 89 17.981 4.554 -47.382 1.00 16.41 O +ATOM 629 CB ILE B 89 16.745 1.543 -48.115 1.00 18.34 C +ATOM 630 CG1 ILE B 89 17.422 1.138 -46.859 1.00 20.50 C +ATOM 631 CG2 ILE B 89 16.689 0.296 -49.009 1.00 20.47 C +ATOM 632 CD1 ILE B 89 16.711 -0.019 -46.120 1.00 24.01 C +ATOM 633 N SER B 90 16.037 4.543 -48.520 1.00 11.87 N +ATOM 634 CA SER B 90 15.630 5.872 -48.121 1.00 17.35 C +ATOM 635 C SER B 90 14.172 5.953 -47.837 1.00 11.84 C +ATOM 636 O SER B 90 13.391 5.201 -48.384 1.00 15.36 O +ATOM 637 CB SER B 90 15.873 6.865 -49.274 1.00 18.77 C +ATOM 638 OG SER B 90 17.220 6.827 -49.674 1.00 24.87 O +ATOM 639 N LYS B 91 13.821 6.961 -47.062 1.00 13.61 N +ATOM 640 CA LYS B 91 12.451 7.280 -46.762 1.00 15.54 C +ATOM 641 C LYS B 91 12.361 8.785 -46.616 1.00 15.45 C +ATOM 642 O LYS B 91 13.276 9.389 -46.057 1.00 15.57 O +ATOM 643 CB LYS B 91 12.069 6.574 -45.465 1.00 17.32 C +ATOM 644 CG LYS B 91 10.709 6.018 -45.410 1.00 15.99 C +ATOM 645 CD LYS B 91 10.371 5.513 -44.015 1.00 17.54 C +ATOM 646 CE LYS B 91 9.531 4.274 -43.981 1.00 23.50 C +ATOM 647 NZ LYS B 91 8.644 4.019 -45.166 1.00 23.17 N +ATOM 648 N ASN B 92 11.292 9.383 -47.158 1.00 15.65 N +ATOM 649 CA ASN B 92 11.050 10.820 -47.093 1.00 18.43 C +ATOM 650 C ASN B 92 9.963 11.131 -46.077 1.00 17.18 C +ATOM 651 O ASN B 92 8.926 10.440 -46.025 1.00 19.61 O +ATOM 652 CB ASN B 92 10.541 11.366 -48.430 1.00 23.84 C +ATOM 653 CG ASN B 92 11.568 11.271 -49.550 1.00 31.78 C +ATOM 654 OD1 ASN B 92 12.748 11.571 -49.371 1.00 33.29 O +ATOM 655 ND2 ASN B 92 11.103 10.887 -50.738 1.00 31.36 N +ATOM 656 N CYS B 93 10.174 12.176 -45.296 1.00 15.08 N +ATOM 657 CA CYS B 93 9.168 12.650 -44.370 1.00 16.90 C +ATOM 658 C CYS B 93 8.393 13.748 -45.076 1.00 18.96 C +ATOM 659 O CYS B 93 8.987 14.751 -45.447 1.00 19.40 O +ATOM 660 CB CYS B 93 9.796 13.187 -43.081 1.00 18.17 C +ATOM 661 SG CYS B 93 8.636 13.931 -41.955 1.00 19.07 S +ATOM 662 N THR B 94 7.072 13.591 -45.208 1.00 19.41 N +ATOM 663 CA THR B 94 6.236 14.602 -45.860 1.00 23.72 C +ATOM 664 C THR B 94 5.249 15.232 -44.885 1.00 25.73 C +ATOM 665 O THR B 94 5.132 14.796 -43.757 1.00 26.13 O +ATOM 666 CB THR B 94 5.451 14.018 -47.051 1.00 22.17 C +ATOM 667 OG1 THR B 94 4.342 13.250 -46.590 1.00 18.24 O +ATOM 668 CG2 THR B 94 6.338 13.109 -47.955 1.00 17.25 C +ATOM 669 N SER B 95 4.501 16.223 -45.357 1.00 22.94 N +ATOM 670 CA SER B 95 3.441 16.864 -44.569 1.00 23.10 C +ATOM 671 C SER B 95 2.316 15.932 -44.255 1.00 26.61 C +ATOM 672 O SER B 95 1.525 16.229 -43.375 1.00 33.84 O +ATOM 673 CB SER B 95 2.863 18.063 -45.321 1.00 30.34 C +ATOM 674 OG SER B 95 2.413 17.629 -46.600 1.00 38.52 O +ATOM 675 N ASP B 96 2.228 14.789 -44.943 1.00 31.41 N +ATOM 676 CA ASP B 96 1.224 13.764 -44.611 1.00 24.90 C +ATOM 677 C ASP B 96 1.842 12.480 -44.098 1.00 25.40 C +ATOM 678 O ASP B 96 1.280 11.414 -44.240 1.00 23.34 O +ATOM 679 CB ASP B 96 0.324 13.498 -45.810 1.00 30.31 C +ATOM 680 CG ASP B 96 -0.639 14.646 -46.057 1.00 52.46 C +ATOM 681 OD1 ASP B 96 -0.185 15.768 -46.401 1.00 56.10 O +ATOM 682 OD2 ASP B 96 -1.856 14.426 -45.883 1.00 80.79 O +ATOM 683 N GLY B 97 2.987 12.582 -43.453 1.00 23.59 N +ATOM 684 CA GLY B 97 3.642 11.401 -42.899 1.00 22.39 C +ATOM 685 C GLY B 97 4.783 10.881 -43.783 1.00 18.83 C +ATOM 686 O GLY B 97 5.187 11.510 -44.744 1.00 21.16 O +ATOM 687 N TRP B 98 5.285 9.709 -43.443 1.00 14.34 N +ATOM 688 CA TRP B 98 6.388 9.126 -44.138 1.00 17.03 C +ATOM 689 C TRP B 98 5.929 8.583 -45.480 1.00 16.32 C +ATOM 690 O TRP B 98 4.854 7.978 -45.578 1.00 21.01 O +ATOM 691 CB TRP B 98 6.899 7.911 -43.367 1.00 18.65 C +ATOM 692 CG TRP B 98 7.759 8.190 -42.151 1.00 21.95 C +ATOM 693 CD1 TRP B 98 7.391 8.027 -40.859 1.00 13.81 C +ATOM 694 CD2 TRP B 98 9.110 8.636 -42.125 1.00 13.43 C +ATOM 695 NE1 TRP B 98 8.420 8.328 -40.040 1.00 18.26 N +ATOM 696 CE2 TRP B 98 9.488 8.722 -40.784 1.00 14.26 C +ATOM 697 CE3 TRP B 98 10.033 9.031 -43.109 1.00 15.08 C +ATOM 698 CZ2 TRP B 98 10.760 9.112 -40.391 1.00 19.66 C +ATOM 699 CZ3 TRP B 98 11.272 9.405 -42.724 1.00 16.28 C +ATOM 700 CH2 TRP B 98 11.639 9.448 -41.371 1.00 17.11 C +ATOM 701 N SER B 99 6.790 8.698 -46.464 1.00 17.16 N +ATOM 702 CA SER B 99 6.624 7.986 -47.707 1.00 21.11 C +ATOM 703 C SER B 99 6.890 6.527 -47.460 1.00 15.97 C +ATOM 704 O SER B 99 7.516 6.158 -46.488 1.00 22.55 O +ATOM 705 CB SER B 99 7.652 8.475 -48.757 1.00 19.10 C +ATOM 706 OG SER B 99 8.967 8.018 -48.412 1.00 23.88 O +ATOM 707 N GLU B 100 6.442 5.716 -48.403 1.00 16.96 N +ATOM 708 CA GLU B 100 6.842 4.353 -48.528 1.00 18.78 C +ATOM 709 C GLU B 100 8.325 4.318 -48.757 1.00 17.12 C +ATOM 710 O GLU B 100 8.888 5.197 -49.389 1.00 9.72 O +ATOM 711 CB GLU B 100 6.112 3.749 -49.748 1.00 22.03 C +ATOM 712 CG GLU B 100 6.518 2.376 -50.190 1.00 47.89 C +ATOM 713 CD GLU B 100 5.719 1.905 -51.427 1.00 67.33 C +ATOM 714 OE1 GLU B 100 5.868 2.486 -52.549 1.00 39.36 O +ATOM 715 OE2 GLU B 100 4.941 0.943 -51.255 1.00 49.09 O +ATOM 716 N THR B 101 8.957 3.270 -48.264 1.00 12.66 N +ATOM 717 CA THR B 101 10.360 3.016 -48.513 1.00 14.79 C +ATOM 718 C THR B 101 10.427 2.439 -49.890 1.00 15.21 C +ATOM 719 O THR B 101 9.885 1.354 -50.155 1.00 21.90 O +ATOM 720 CB THR B 101 10.934 2.023 -47.452 1.00 23.18 C +ATOM 721 OG1 THR B 101 10.620 2.514 -46.138 1.00 21.77 O +ATOM 722 CG2 THR B 101 12.415 1.862 -47.612 1.00 15.77 C +ATOM 723 N PHE B 102 11.050 3.182 -50.794 1.00 17.76 N +ATOM 724 CA PHE B 102 11.118 2.821 -52.213 1.00 25.71 C +ATOM 725 C PHE B 102 12.379 3.471 -52.800 1.00 24.04 C +ATOM 726 O PHE B 102 12.574 4.654 -52.603 1.00 34.52 O +ATOM 727 CB PHE B 102 9.859 3.270 -53.012 1.00 23.33 C +ATOM 728 CG PHE B 102 9.803 2.683 -54.427 1.00 18.42 C +ATOM 729 CD1 PHE B 102 9.499 1.334 -54.629 1.00 27.39 C +ATOM 730 CD2 PHE B 102 10.100 3.470 -55.537 1.00 21.56 C +ATOM 731 CE1 PHE B 102 9.476 0.773 -55.911 1.00 22.49 C +ATOM 732 CE2 PHE B 102 10.076 2.934 -56.820 1.00 19.02 C +ATOM 733 CZ PHE B 102 9.763 1.579 -57.013 1.00 35.57 C +ATOM 734 N PRO B 103 13.268 2.677 -53.421 1.00 23.34 N +ATOM 735 CA PRO B 103 13.199 1.213 -53.535 1.00 22.76 C +ATOM 736 C PRO B 103 13.313 0.506 -52.164 1.00 15.03 C +ATOM 737 O PRO B 103 13.809 1.056 -51.212 1.00 18.28 O +ATOM 738 CB PRO B 103 14.373 0.882 -54.454 1.00 25.66 C +ATOM 739 CG PRO B 103 15.333 1.942 -54.199 1.00 31.58 C +ATOM 740 CD PRO B 103 14.546 3.188 -53.935 1.00 30.91 C +ATOM 741 N ASP B 104 12.787 -0.691 -52.052 1.00 21.52 N +ATOM 742 CA ASP B 104 12.773 -1.332 -50.774 1.00 18.94 C +ATOM 743 C ASP B 104 14.027 -2.161 -50.740 1.00 15.61 C +ATOM 744 O ASP B 104 14.794 -2.216 -51.702 1.00 14.13 O +ATOM 745 CB ASP B 104 11.507 -2.201 -50.626 1.00 26.69 C +ATOM 746 CG ASP B 104 11.591 -3.511 -51.422 1.00 37.38 C +ATOM 747 OD1 ASP B 104 12.288 -3.572 -52.464 1.00 59.37 O +ATOM 748 OD2 ASP B 104 10.954 -4.486 -51.001 1.00 55.33 O +ATOM 749 N PHE B 105 14.167 -2.878 -49.650 1.00 16.74 N +ATOM 750 CA PHE B 105 15.332 -3.622 -49.327 1.00 22.09 C +ATOM 751 C PHE B 105 15.930 -4.484 -50.445 1.00 26.10 C +ATOM 752 O PHE B 105 17.130 -4.421 -50.702 1.00 27.36 O +ATOM 753 CB PHE B 105 14.956 -4.502 -48.121 1.00 32.46 C +ATOM 754 CG PHE B 105 15.960 -5.523 -47.797 1.00 22.09 C +ATOM 755 CD1 PHE B 105 17.061 -5.185 -47.075 1.00 34.02 C +ATOM 756 CD2 PHE B 105 15.805 -6.816 -48.234 1.00 36.00 C +ATOM 757 CE1 PHE B 105 18.006 -6.126 -46.784 1.00 42.37 C +ATOM 758 CE2 PHE B 105 16.740 -7.767 -47.945 1.00 41.40 C +ATOM 759 CZ PHE B 105 17.839 -7.422 -47.211 1.00 40.47 C +ATOM 760 N VAL B 106 15.119 -5.295 -51.105 1.00 19.50 N +ATOM 761 CA VAL B 106 15.665 -6.361 -51.887 1.00 31.30 C +ATOM 762 C VAL B 106 16.131 -5.793 -53.199 1.00 38.13 C +ATOM 763 O VAL B 106 17.152 -6.236 -53.740 1.00 39.87 O +ATOM 764 CB VAL B 106 14.620 -7.469 -52.145 1.00 37.63 C +ATOM 765 CG1 VAL B 106 15.195 -8.541 -53.073 1.00 27.62 C +ATOM 766 CG2 VAL B 106 14.165 -8.081 -50.826 1.00 47.76 C +ATOM 767 N ASP B 107 15.339 -4.847 -53.710 1.00 35.78 N +ATOM 768 CA ASP B 107 15.666 -4.070 -54.918 1.00 34.55 C +ATOM 769 C ASP B 107 16.882 -3.170 -54.721 1.00 22.45 C +ATOM 770 O ASP B 107 17.816 -3.219 -55.485 1.00 26.63 O +ATOM 771 CB ASP B 107 14.475 -3.209 -55.322 1.00 31.54 C +ATOM 772 CG ASP B 107 13.319 -4.030 -55.841 1.00 54.95 C +ATOM 773 OD1 ASP B 107 13.364 -5.276 -55.714 1.00 63.22 O +ATOM 774 OD2 ASP B 107 12.368 -3.428 -56.380 1.00 85.84 O +ATOM 775 N ALA B 108 16.869 -2.370 -53.677 1.00 14.10 N +ATOM 776 CA ALA B 108 17.960 -1.450 -53.449 1.00 25.53 C +ATOM 777 C ALA B 108 19.257 -2.204 -53.215 1.00 36.44 C +ATOM 778 O ALA B 108 20.311 -1.776 -53.666 1.00 44.82 O +ATOM 779 CB ALA B 108 17.670 -0.580 -52.285 1.00 18.06 C +ATOM 780 N CYS B 109 19.164 -3.344 -52.544 1.00 36.60 N +ATOM 781 CA CYS B 109 20.329 -3.972 -51.923 1.00 38.92 C +ATOM 782 C CYS B 109 20.886 -5.099 -52.749 1.00 37.57 C +ATOM 783 O CYS B 109 21.949 -5.603 -52.440 1.00 41.13 O +ATOM 784 CB CYS B 109 19.942 -4.521 -50.544 1.00 41.63 C +ATOM 785 SG CYS B 109 19.047 -3.347 -49.487 1.00 43.69 S +ATOM 786 N GLY B 110 20.149 -5.499 -53.787 1.00 36.00 N +ATOM 787 CA GLY B 110 20.442 -6.684 -54.560 1.00 30.98 C +ATOM 788 C GLY B 110 20.459 -7.958 -53.723 1.00 29.77 C +ATOM 789 O GLY B 110 21.297 -8.830 -53.943 1.00 24.00 O +ATOM 790 N TYR B 111 19.539 -8.089 -52.772 1.00 23.77 N +ATOM 791 CA TYR B 111 19.521 -9.298 -51.951 1.00 25.39 C +ATOM 792 C TYR B 111 19.202 -10.502 -52.794 1.00 27.12 C +ATOM 793 O TYR B 111 18.277 -10.467 -53.588 1.00 29.65 O +ATOM 794 CB TYR B 111 18.481 -9.224 -50.834 1.00 31.24 C +ATOM 795 CG TYR B 111 18.351 -10.511 -50.005 1.00 17.20 C +ATOM 796 CD1 TYR B 111 19.093 -10.678 -48.841 1.00 23.66 C +ATOM 797 CD2 TYR B 111 17.472 -11.527 -50.374 1.00 25.63 C +ATOM 798 CE1 TYR B 111 18.982 -11.813 -48.076 1.00 20.71 C +ATOM 799 CE2 TYR B 111 17.351 -12.683 -49.602 1.00 30.87 C +ATOM 800 CZ TYR B 111 18.114 -12.812 -48.450 1.00 28.63 C +ATOM 801 OH TYR B 111 18.046 -13.943 -47.670 1.00 30.36 O +ATOM 802 N SER B 112 19.943 -11.582 -52.560 1.00 33.77 N +ATOM 803 CA SER B 112 19.750 -12.837 -53.261 1.00 37.17 C +ATOM 804 C SER B 112 20.094 -14.003 -52.347 1.00 41.60 C +ATOM 805 O SER B 112 21.086 -13.946 -51.624 1.00 40.49 O +ATOM 806 CB SER B 112 20.664 -12.875 -54.485 1.00 36.62 C +ATOM 807 OG SER B 112 20.530 -14.110 -55.145 1.00 44.19 O +ATOM 808 N ASP B 113 19.295 -15.063 -52.380 1.00 47.75 N +ATOM 809 CA ASP B 113 19.680 -16.296 -51.691 1.00 58.34 C +ATOM 810 C ASP B 113 19.229 -17.572 -52.421 1.00 63.74 C +ATOM 811 O ASP B 113 18.108 -18.034 -52.203 1.00 65.83 O +ATOM 812 CB ASP B 113 19.138 -16.285 -50.260 1.00 59.20 C +ATOM 813 CG ASP B 113 19.551 -17.519 -49.466 1.00 67.59 C +ATOM 814 OD1 ASP B 113 20.642 -18.083 -49.741 1.00 67.42 O +ATOM 815 OD2 ASP B 113 18.774 -17.918 -48.569 1.00 53.31 O +ATOM 816 N PRO B 114 20.103 -18.150 -53.281 1.00 71.98 N +ATOM 817 CA PRO B 114 19.804 -19.437 -53.938 1.00 71.78 C +ATOM 818 C PRO B 114 20.416 -20.640 -53.207 1.00 68.66 C +ATOM 819 O PRO B 114 20.030 -20.938 -52.075 1.00 66.43 O +ATOM 820 CB PRO B 114 20.432 -19.270 -55.328 1.00 71.38 C +ATOM 821 CG PRO B 114 21.549 -18.246 -55.140 1.00 73.73 C +ATOM 822 CD PRO B 114 21.370 -17.581 -53.784 1.00 72.25 C Added: SwiftApps/modFTdock/input/indata/2x57-4.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2x57-4.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2x57-4.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,796 @@ +ATOM 1 N GLY C -13 10.928 -9.395 1.473 1.00 58.04 N +ATOM 2 CA GLY C -13 9.829 -8.449 1.112 1.00 59.52 C +ATOM 3 C GLY C -13 10.021 -7.862 -0.277 1.00 58.74 C +ATOM 4 O GLY C -13 9.316 -8.231 -1.225 1.00 59.46 O +ATOM 5 N VAL C -12 10.959 -6.921 -0.393 1.00 56.36 N +ATOM 6 CA VAL C -12 11.428 -6.457 -1.704 1.00 52.44 C +ATOM 7 C VAL C -12 12.423 -7.488 -2.231 1.00 47.45 C +ATOM 8 O VAL C -12 12.311 -7.956 -3.358 1.00 46.17 O +ATOM 9 CB VAL C -12 12.118 -5.068 -1.637 1.00 49.71 C +ATOM 10 CG1 VAL C -12 12.657 -4.680 -3.022 1.00 45.89 C +ATOM 11 CG2 VAL C -12 11.153 -4.015 -1.116 1.00 44.65 C +ATOM 12 N ASP C -11 13.376 -7.847 -1.376 1.00 42.49 N +ATOM 13 CA ASP C -11 14.362 -8.865 -1.669 1.00 40.56 C +ATOM 14 C ASP C -11 13.671 -10.152 -2.067 1.00 36.04 C +ATOM 15 O ASP C -11 14.129 -10.848 -2.964 1.00 36.19 O +ATOM 16 CB ASP C -11 15.251 -9.103 -0.445 1.00 44.54 C +ATOM 17 CG ASP C -11 16.680 -9.405 -0.816 1.00 56.74 C +ATOM 18 OD1 ASP C -11 17.114 -10.557 -0.619 1.00 77.82 O +ATOM 19 OD2 ASP C -11 17.370 -8.486 -1.303 1.00 65.10 O +ATOM 20 N LEU C -10 12.557 -10.455 -1.402 1.00 38.58 N +ATOM 21 CA LEU C -10 11.762 -11.655 -1.701 1.00 37.70 C +ATOM 22 C LEU C -10 10.499 -11.419 -2.609 1.00 34.88 C +ATOM 23 O LEU C -10 9.903 -12.395 -3.088 1.00 35.04 O +ATOM 24 CB LEU C -10 11.394 -12.353 -0.383 1.00 42.28 C +ATOM 25 CG LEU C -10 12.610 -12.865 0.410 1.00 44.88 C +ATOM 26 CD1 LEU C -10 12.251 -13.091 1.872 1.00 42.24 C +ATOM 27 CD2 LEU C -10 13.195 -14.130 -0.228 1.00 40.56 C +ATOM 28 N GLY C -9 10.117 -10.154 -2.866 1.00 22.35 N +ATOM 29 CA GLY C -9 9.045 -9.810 -3.838 1.00 16.67 C +ATOM 30 C GLY C -9 9.210 -10.494 -5.178 1.00 14.07 C +ATOM 31 O GLY C -9 10.340 -10.805 -5.577 1.00 8.91 O +ATOM 32 N THR C -8 8.114 -10.734 -5.904 1.00 8.73 N +ATOM 33 CA THR C -8 8.219 -11.561 -7.114 1.00 6.54 C +ATOM 34 C THR C -8 8.823 -10.797 -8.307 1.00 4.82 C +ATOM 35 O THR C -8 9.320 -11.424 -9.250 1.00 9.06 O +ATOM 36 CB THR C -8 6.843 -12.207 -7.537 1.00 10.79 C +ATOM 37 OG1 THR C -8 5.814 -11.221 -7.420 1.00 12.12 O +ATOM 38 CG2 THR C -8 6.499 -13.496 -6.619 1.00 12.52 C +ATOM 39 N GLU C -7 8.762 -9.468 -8.296 1.00 4.93 N +ATOM 40 CA GLU C -7 9.382 -8.724 -9.389 1.00 9.68 C +ATOM 41 C GLU C -7 10.892 -8.987 -9.380 1.00 6.16 C +ATOM 42 O GLU C -7 11.475 -9.351 -10.380 1.00 7.26 O +ATOM 43 CB GLU C -7 9.087 -7.229 -9.258 1.00 15.86 C +ATOM 44 CG GLU C -7 8.529 -6.659 -10.505 1.00 24.53 C +ATOM 45 CD GLU C -7 8.397 -5.167 -10.473 1.00 19.70 C +ATOM 46 OE1 GLU C -7 7.793 -4.667 -9.542 1.00 13.42 O +ATOM 47 OE2 GLU C -7 8.942 -4.500 -11.380 1.00 19.95 O +ATOM 48 N ASN C -6 11.501 -8.822 -8.212 1.00 7.68 N +ATOM 49 CA ASN C -6 12.890 -9.190 -8.027 1.00 5.02 C +ATOM 50 C ASN C -6 13.136 -10.671 -8.267 1.00 8.59 C +ATOM 51 O ASN C -6 14.101 -11.041 -8.938 1.00 8.53 O +ATOM 52 CB ASN C -6 13.393 -8.802 -6.640 1.00 4.11 C +ATOM 53 CG ASN C -6 14.883 -9.068 -6.497 1.00 13.01 C +ATOM 54 OD1 ASN C -6 15.682 -8.577 -7.292 1.00 7.05 O +ATOM 55 ND2 ASN C -6 15.248 -9.909 -5.541 1.00 8.94 N +ATOM 56 N LEU C -5 12.271 -11.529 -7.743 1.00 9.33 N +ATOM 57 CA LEU C -5 12.497 -12.970 -7.931 1.00 11.39 C +ATOM 58 C LEU C -5 12.478 -13.359 -9.391 1.00 9.99 C +ATOM 59 O LEU C -5 13.322 -14.168 -9.826 1.00 13.09 O +ATOM 60 CB LEU C -5 11.509 -13.838 -7.117 1.00 13.53 C +ATOM 61 CG LEU C -5 11.742 -13.938 -5.605 1.00 30.40 C +ATOM 62 CD1 LEU C -5 10.827 -14.991 -5.024 1.00 25.50 C +ATOM 63 CD2 LEU C -5 13.198 -14.244 -5.237 1.00 25.84 C +ATOM 64 N TYR C -4 11.594 -12.761 -10.194 1.00 18.71 N +ATOM 65 CA TYR C -4 11.618 -13.077 -11.658 1.00 18.32 C +ATOM 66 C TYR C -4 12.910 -12.583 -12.317 1.00 11.51 C +ATOM 67 O TYR C -4 13.541 -13.277 -13.097 1.00 10.77 O +ATOM 68 CB TYR C -4 10.396 -12.480 -12.389 1.00 24.00 C +ATOM 69 CG TYR C -4 10.234 -12.922 -13.847 1.00 37.89 C +ATOM 70 CD1 TYR C -4 10.787 -14.150 -14.313 1.00 32.67 C +ATOM 71 CD2 TYR C -4 9.499 -12.143 -14.758 1.00 32.03 C +ATOM 72 CE1 TYR C -4 10.629 -14.571 -15.637 1.00 38.95 C +ATOM 73 CE2 TYR C -4 9.345 -12.552 -16.116 1.00 25.79 C +ATOM 74 CZ TYR C -4 9.887 -13.778 -16.531 1.00 55.64 C +ATOM 75 OH TYR C -4 9.728 -14.199 -17.837 1.00 43.64 O +ATOM 76 N PHE C -3 13.296 -11.363 -11.993 1.00 11.00 N +ATOM 77 CA PHE C -3 14.524 -10.807 -12.498 1.00 13.11 C +ATOM 78 C PHE C -3 15.686 -11.686 -12.126 1.00 15.50 C +ATOM 79 O PHE C -3 16.520 -12.024 -12.982 1.00 14.84 O +ATOM 80 CB PHE C -3 14.754 -9.395 -11.948 1.00 13.40 C +ATOM 81 CG PHE C -3 16.148 -8.902 -12.174 1.00 10.54 C +ATOM 82 CD1 PHE C -3 16.546 -8.476 -13.430 1.00 16.68 C +ATOM 83 CD2 PHE C -3 17.046 -8.869 -11.164 1.00 10.32 C +ATOM 84 CE1 PHE C -3 17.830 -8.026 -13.654 1.00 13.72 C +ATOM 85 CE2 PHE C -3 18.327 -8.399 -11.358 1.00 15.27 C +ATOM 86 CZ PHE C -3 18.729 -7.998 -12.625 1.00 17.70 C +ATOM 87 N GLN C -2 15.762 -12.107 -10.872 1.00 14.48 N +ATOM 88 CA GLN C -2 16.972 -12.867 -10.457 1.00 12.62 C +ATOM 89 C GLN C -2 17.051 -14.146 -11.249 1.00 16.45 C +ATOM 90 O GLN C -2 18.117 -14.538 -11.725 1.00 19.00 O +ATOM 91 CB GLN C -2 17.013 -13.167 -8.956 1.00 15.11 C +ATOM 92 CG GLN C -2 17.008 -11.933 -8.053 1.00 12.64 C +ATOM 93 CD GLN C -2 18.304 -11.160 -8.097 1.00 19.16 C +ATOM 94 OE1 GLN C -2 19.319 -11.701 -8.499 1.00 21.78 O +ATOM 95 NE2 GLN C -2 18.267 -9.876 -7.710 1.00 12.14 N +ATOM 96 N SER C -1 15.918 -14.769 -11.477 1.00 14.54 N +ATOM 97 CA SER C -1 15.917 -15.982 -12.332 1.00 20.72 C +ATOM 98 C SER C -1 16.247 -15.770 -13.828 1.00 21.59 C +ATOM 99 O SER C -1 16.595 -16.702 -14.544 1.00 24.66 O +ATOM 100 CB SER C -1 14.551 -16.648 -12.250 1.00 21.94 C +ATOM 101 OG SER C -1 13.702 -16.031 -13.194 1.00 33.31 O +ATOM 110 N ARG C 26 18.585 -13.535 -14.812 1.00 16.38 N +ATOM 111 CA ARG C 26 19.891 -12.917 -14.938 1.00 17.47 C +ATOM 112 C ARG C 26 20.811 -13.679 -15.881 1.00 22.66 C +ATOM 113 O ARG C 26 21.585 -13.080 -16.613 1.00 21.35 O +ATOM 114 CB ARG C 26 20.550 -12.714 -13.553 1.00 14.44 C +ATOM 115 CG ARG C 26 19.990 -11.482 -12.826 1.00 16.73 C +ATOM 116 CD ARG C 26 20.440 -11.431 -11.395 1.00 19.33 C +ATOM 117 NE ARG C 26 21.847 -11.091 -11.303 1.00 21.42 N +ATOM 118 CZ ARG C 26 22.559 -11.103 -10.182 1.00 22.78 C +ATOM 119 NH1 ARG C 26 22.008 -11.430 -9.022 1.00 24.73 N +ATOM 120 NH2 ARG C 26 23.856 -10.814 -10.224 1.00 29.81 N +ATOM 121 N PHE C 27 20.723 -14.998 -15.843 1.00 20.61 N +ATOM 122 CA PHE C 27 21.628 -15.846 -16.577 1.00 22.89 C +ATOM 123 C PHE C 27 21.328 -15.670 -18.035 1.00 20.90 C +ATOM 124 O PHE C 27 22.215 -15.413 -18.829 1.00 25.76 O +ATOM 125 CB PHE C 27 21.441 -17.324 -16.174 1.00 32.55 C +ATOM 126 CG PHE C 27 21.802 -17.631 -14.718 1.00 39.19 C +ATOM 127 CD1 PHE C 27 22.998 -17.162 -14.158 1.00 47.30 C +ATOM 128 CD2 PHE C 27 20.933 -18.393 -13.903 1.00 57.85 C +ATOM 129 CE1 PHE C 27 23.329 -17.440 -12.818 1.00 45.21 C +ATOM 130 CE2 PHE C 27 21.267 -18.694 -12.566 1.00 53.79 C +ATOM 131 CZ PHE C 27 22.462 -18.217 -12.026 1.00 57.83 C +ATOM 132 N HIS C 28 20.062 -15.793 -18.382 1.00 15.50 N +ATOM 133 CA HIS C 28 19.618 -15.595 -19.739 1.00 18.66 C +ATOM 134 C HIS C 28 19.969 -14.202 -20.264 1.00 21.92 C +ATOM 135 O HIS C 28 20.460 -14.065 -21.380 1.00 22.95 O +ATOM 136 CB HIS C 28 18.119 -15.831 -19.851 1.00 21.01 C +ATOM 137 CG HIS C 28 17.533 -15.339 -21.138 1.00 24.90 C +ATOM 138 ND1 HIS C 28 17.693 -16.010 -22.332 1.00 37.12 N +ATOM 139 CD2 HIS C 28 16.798 -14.236 -21.417 1.00 40.53 C +ATOM 140 CE1 HIS C 28 17.076 -15.341 -23.292 1.00 48.60 C +ATOM 141 NE2 HIS C 28 16.532 -14.257 -22.765 1.00 38.84 N +ATOM 142 N LEU C 29 19.769 -13.175 -19.454 1.00 20.34 N +ATOM 143 CA LEU C 29 20.076 -11.830 -19.908 1.00 18.63 C +ATOM 144 C LEU C 29 21.573 -11.636 -20.127 1.00 16.12 C +ATOM 145 O LEU C 29 21.955 -10.966 -21.052 1.00 19.74 O +ATOM 146 CB LEU C 29 19.588 -10.792 -18.916 1.00 24.05 C +ATOM 147 CG LEU C 29 18.087 -10.667 -18.647 1.00 23.15 C +ATOM 148 CD1 LEU C 29 17.922 -10.036 -17.250 1.00 25.61 C +ATOM 149 CD2 LEU C 29 17.374 -9.851 -19.723 1.00 24.91 C +ATOM 150 N GLU C 30 22.419 -12.164 -19.254 1.00 15.16 N +ATOM 151 CA GLU C 30 23.827 -11.945 -19.393 1.00 17.07 C +ATOM 152 C GLU C 30 24.394 -12.783 -20.581 1.00 21.29 C +ATOM 153 O GLU C 30 25.202 -12.312 -21.378 1.00 21.46 O +ATOM 154 CB GLU C 30 24.541 -12.293 -18.097 1.00 19.59 C +ATOM 155 CG GLU C 30 24.236 -11.316 -16.944 1.00 26.66 C +ATOM 156 CD GLU C 30 24.855 -11.745 -15.618 1.00 28.88 C +ATOM 157 OE1 GLU C 30 26.083 -11.960 -15.571 1.00 36.02 O +ATOM 158 OE2 GLU C 30 24.121 -11.864 -14.608 1.00 34.71 O +ATOM 159 N ILE C 31 23.977 -14.024 -20.710 1.00 19.48 N +ATOM 160 CA ILE C 31 24.450 -14.824 -21.841 1.00 22.59 C +ATOM 161 C ILE C 31 23.943 -14.243 -23.190 1.00 22.97 C +ATOM 162 O ILE C 31 24.709 -14.123 -24.169 1.00 19.18 O +ATOM 163 CB ILE C 31 24.082 -16.292 -21.668 1.00 19.33 C +ATOM 164 CG1 ILE C 31 24.834 -16.881 -20.472 1.00 25.51 C +ATOM 165 CG2 ILE C 31 24.459 -17.107 -22.914 1.00 23.88 C +ATOM 166 CD1 ILE C 31 24.110 -18.063 -19.830 1.00 29.32 C +ATOM 167 N GLN C 32 22.676 -13.858 -23.239 1.00 19.17 N +ATOM 168 CA GLN C 32 22.144 -13.250 -24.445 1.00 18.30 C +ATOM 169 C GLN C 32 22.917 -11.993 -24.789 1.00 18.22 C +ATOM 170 O GLN C 32 23.223 -11.725 -25.969 1.00 20.36 O +ATOM 171 CB GLN C 32 20.653 -12.954 -24.307 1.00 22.06 C +ATOM 172 CG GLN C 32 20.038 -12.266 -25.551 1.00 41.30 C +ATOM 173 CD GLN C 32 18.610 -11.762 -25.317 1.00 55.66 C +ATOM 174 OE1 GLN C 32 18.355 -10.936 -24.430 1.00 53.59 O +ATOM 175 NE2 GLN C 32 17.681 -12.256 -26.114 1.00 35.99 N +ATOM 176 N GLU C 33 23.282 -11.193 -23.801 1.00 16.68 N +ATOM 177 CA GLU C 33 24.041 -9.985 -24.160 1.00 15.34 C +ATOM 178 C GLU C 33 25.399 -10.402 -24.743 1.00 17.73 C +ATOM 179 O GLU C 33 25.936 -9.760 -25.587 1.00 14.86 O +ATOM 180 CB GLU C 33 24.300 -9.133 -22.916 1.00 22.62 C +ATOM 181 CG GLU C 33 25.149 -7.896 -23.144 1.00 31.78 C +ATOM 182 CD GLU C 33 24.466 -6.890 -24.082 1.00 51.02 C +ATOM 183 OE1 GLU C 33 23.305 -7.134 -24.529 1.00 45.39 O +ATOM 184 OE2 GLU C 33 25.097 -5.849 -24.367 1.00 90.10 O +ATOM 185 N GLU C 34 25.962 -11.480 -24.244 1.00 14.56 N +ATOM 186 CA GLU C 34 27.284 -11.934 -24.692 1.00 19.82 C +ATOM 187 C GLU C 34 27.208 -12.546 -26.095 1.00 14.86 C +ATOM 188 O GLU C 34 28.113 -12.393 -26.924 1.00 13.89 O +ATOM 189 CB GLU C 34 27.792 -12.956 -23.685 1.00 20.76 C +ATOM 190 CG GLU C 34 29.261 -12.972 -23.458 1.00 42.47 C +ATOM 191 CD GLU C 34 29.791 -11.666 -22.931 1.00 48.26 C +ATOM 192 OE1 GLU C 34 29.305 -11.212 -21.883 1.00 56.05 O +ATOM 193 OE2 GLU C 34 30.691 -11.094 -23.573 1.00 45.83 O +ATOM 194 N GLU C 35 26.121 -13.236 -26.366 1.00 12.84 N +ATOM 195 CA GLU C 35 25.865 -13.753 -27.684 1.00 14.31 C +ATOM 196 C GLU C 35 25.660 -12.635 -28.698 1.00 18.93 C +ATOM 197 O GLU C 35 26.145 -12.718 -29.815 1.00 17.30 O +ATOM 198 CB GLU C 35 24.651 -14.636 -27.673 1.00 15.70 C +ATOM 199 CG GLU C 35 24.902 -16.002 -27.040 1.00 19.72 C +ATOM 200 CD GLU C 35 23.608 -16.850 -26.959 1.00 29.90 C +ATOM 201 OE1 GLU C 35 22.519 -16.280 -26.743 1.00 39.52 O +ATOM 202 OE2 GLU C 35 23.698 -18.084 -27.097 1.00 54.33 O +ATOM 203 N THR C 36 24.957 -11.585 -28.292 1.00 13.59 N +ATOM 204 CA THR C 36 24.757 -10.419 -29.138 1.00 13.72 C +ATOM 205 C THR C 36 26.073 -9.749 -29.432 1.00 12.85 C +ATOM 206 O THR C 36 26.392 -9.467 -30.589 1.00 15.30 O +ATOM 207 CB THR C 36 23.762 -9.439 -28.494 1.00 18.72 C +ATOM 208 OG1 THR C 36 22.512 -10.124 -28.269 1.00 17.98 O +ATOM 209 CG2 THR C 36 23.577 -8.181 -29.366 1.00 12.75 C +ATOM 210 N LYS C 37 26.892 -9.557 -28.424 1.00 13.89 N +ATOM 211 CA LYS C 37 28.223 -8.960 -28.654 1.00 12.93 C +ATOM 212 C LYS C 37 29.056 -9.812 -29.602 1.00 13.83 C +ATOM 213 O LYS C 37 29.724 -9.307 -30.504 1.00 17.09 O +ATOM 214 CB LYS C 37 28.963 -8.792 -27.320 1.00 18.91 C +ATOM 215 CG LYS C 37 28.428 -7.650 -26.453 1.00 30.21 C +ATOM 216 CD LYS C 37 29.177 -7.573 -25.121 1.00 44.69 C +ATOM 217 CE LYS C 37 28.616 -6.456 -24.250 1.00 58.59 C +ATOM 218 NZ LYS C 37 29.161 -6.480 -22.871 1.00 64.79 N +ATOM 219 N CYS C 38 28.991 -11.121 -29.413 1.00 14.16 N +ATOM 220 CA CYS C 38 29.706 -12.039 -30.304 1.00 12.51 C +ATOM 221 C CYS C 38 29.190 -11.902 -31.729 1.00 14.58 C +ATOM 222 O CYS C 38 29.974 -11.772 -32.675 1.00 16.60 O +ATOM 223 CB CYS C 38 29.547 -13.472 -29.826 1.00 17.67 C +ATOM 224 SG CYS C 38 30.697 -14.654 -30.466 1.00 14.86 S +ATOM 225 N ALA C 39 27.884 -11.967 -31.911 1.00 13.13 N +ATOM 226 CA ALA C 39 27.339 -11.738 -33.260 1.00 14.68 C +ATOM 227 C ALA C 39 27.816 -10.434 -33.895 1.00 11.19 C +ATOM 228 O ALA C 39 28.173 -10.414 -35.079 1.00 12.39 O +ATOM 229 CB ALA C 39 25.835 -11.794 -33.254 1.00 12.24 C +ATOM 230 N GLU C 40 27.838 -9.349 -33.123 1.00 12.31 N +ATOM 231 CA GLU C 40 28.277 -8.050 -33.649 1.00 13.61 C +ATOM 232 C GLU C 40 29.761 -8.054 -33.983 1.00 15.58 C +ATOM 233 O GLU C 40 30.197 -7.526 -35.025 1.00 12.99 O +ATOM 234 CB GLU C 40 28.013 -6.932 -32.639 1.00 20.15 C +ATOM 235 CG GLU C 40 26.551 -6.727 -32.295 1.00 23.38 C +ATOM 236 CD GLU C 40 25.729 -6.211 -33.465 1.00 34.92 C +ATOM 237 OE1 GLU C 40 26.319 -5.787 -34.476 1.00 37.39 O +ATOM 238 OE2 GLU C 40 24.487 -6.240 -33.371 1.00 32.80 O +ATOM 239 N LEU C 41 30.555 -8.656 -33.105 1.00 16.21 N +ATOM 240 CA LEU C 41 31.989 -8.751 -33.371 1.00 14.37 C +ATOM 241 C LEU C 41 32.254 -9.479 -34.682 1.00 14.98 C +ATOM 242 O LEU C 41 33.030 -9.029 -35.500 1.00 17.33 O +ATOM 243 CB LEU C 41 32.680 -9.459 -32.206 1.00 19.36 C +ATOM 244 CG LEU C 41 34.179 -9.680 -32.323 1.00 24.48 C +ATOM 245 CD1 LEU C 41 34.883 -8.354 -32.181 1.00 20.54 C +ATOM 246 CD2 LEU C 41 34.607 -10.697 -31.272 1.00 22.04 C +ATOM 247 N LEU C 42 31.590 -10.608 -34.889 1.00 13.89 N +ATOM 248 CA LEU C 42 31.843 -11.415 -36.067 1.00 15.46 C +ATOM 249 C LEU C 42 31.379 -10.706 -37.316 1.00 16.15 C +ATOM 250 O LEU C 42 32.004 -10.840 -38.357 1.00 24.38 O +ATOM 251 CB LEU C 42 31.174 -12.800 -35.955 1.00 15.66 C +ATOM 252 CG LEU C 42 31.483 -13.601 -34.684 1.00 23.87 C +ATOM 253 CD1 LEU C 42 31.165 -15.099 -34.840 1.00 16.55 C +ATOM 254 CD2 LEU C 42 32.914 -13.396 -34.180 1.00 19.14 C +ATOM 255 N ARG C 43 30.302 -9.939 -37.218 1.00 16.07 N +ATOM 256 CA ARG C 43 29.827 -9.150 -38.347 1.00 17.93 C +ATOM 257 C ARG C 43 30.827 -8.067 -38.724 1.00 23.55 C +ATOM 258 O ARG C 43 31.092 -7.860 -39.891 1.00 28.05 O +ATOM 259 CB ARG C 43 28.489 -8.482 -38.036 1.00 14.78 C +ATOM 260 CG ARG C 43 27.941 -7.654 -39.231 1.00 21.30 C +ATOM 261 CD ARG C 43 27.698 -8.555 -40.442 1.00 23.04 C +ATOM 262 NE ARG C 43 26.776 -9.645 -40.092 1.00 28.42 N +ATOM 263 CZ ARG C 43 26.743 -10.849 -40.665 1.00 38.30 C +ATOM 264 NH1 ARG C 43 27.584 -11.175 -41.642 1.00 50.99 N +ATOM 265 NH2 ARG C 43 25.866 -11.755 -40.235 1.00 30.99 N +ATOM 266 N SER C 44 31.378 -7.367 -37.738 1.00 27.50 N +ATOM 267 CA SER C 44 32.406 -6.332 -37.999 1.00 28.96 C +ATOM 268 C SER C 44 33.714 -6.881 -38.595 1.00 25.80 C +ATOM 269 O SER C 44 34.468 -6.148 -39.190 1.00 36.44 O +ATOM 270 CB SER C 44 32.721 -5.540 -36.707 1.00 27.83 C +ATOM 271 OG SER C 44 33.625 -6.248 -35.861 1.00 32.46 O +ATOM 272 N GLN C 45 33.983 -8.161 -38.427 1.00 33.63 N +ATOM 273 CA GLN C 45 35.233 -8.753 -38.876 1.00 38.72 C +ATOM 274 C GLN C 45 35.080 -9.603 -40.126 1.00 45.59 C +ATOM 275 O GLN C 45 36.024 -10.298 -40.525 1.00 48.30 O +ATOM 276 CB GLN C 45 35.825 -9.614 -37.762 1.00 38.33 C +ATOM 277 CG GLN C 45 36.482 -8.786 -36.676 1.00 57.10 C +ATOM 278 CD GLN C 45 37.657 -9.487 -36.035 1.00 72.37 C +ATOM 279 OE1 GLN C 45 38.509 -10.081 -36.724 1.00 58.67 O +ATOM 280 NE2 GLN C 45 37.719 -9.420 -34.702 1.00 69.20 N +ATOM 281 N THR C 46 33.913 -9.527 -40.760 1.00 51.35 N +ATOM 282 CA THR C 46 33.573 -10.418 -41.873 1.00 56.25 C +ATOM 283 C THR C 46 34.360 -10.113 -43.176 1.00 57.42 C +ATOM 284 O THR C 46 34.541 -11.001 -44.015 1.00 59.97 O +ATOM 285 CB THR C 46 32.027 -10.434 -42.103 1.00 58.10 C +ATOM 286 OG1 THR C 46 31.645 -11.651 -42.756 1.00 59.02 O +ATOM 287 CG2 THR C 46 31.552 -9.202 -42.905 1.00 54.58 C +ATOM 288 N GLU C 47 34.840 -8.873 -43.323 1.00 58.20 N +ATOM 289 CA GLU C 47 35.706 -8.477 -44.448 1.00 57.62 C +ATOM 290 C GLU C 47 37.032 -9.241 -44.425 1.00 56.17 C +ATOM 291 O GLU C 47 37.429 -9.831 -45.431 1.00 57.65 O +ATOM 292 CB GLU C 47 35.981 -6.969 -44.408 1.00 55.71 C +ATOM 293 N LYS C 48 37.707 -9.231 -43.272 1.00 53.34 N +ATOM 294 CA LYS C 48 38.918 -10.037 -43.066 1.00 52.92 C +ATOM 295 C LYS C 48 38.503 -11.512 -43.159 1.00 53.46 C +ATOM 296 O LYS C 48 37.331 -11.828 -42.918 1.00 53.02 O +ATOM 297 CB LYS C 48 39.545 -9.742 -41.690 1.00 53.45 C +ATOM 298 CG LYS C 48 39.665 -8.259 -41.331 1.00 53.87 C +ATOM 299 N HIS C 49 39.423 -12.411 -43.517 1.00 51.40 N +ATOM 300 CA HIS C 49 39.089 -13.850 -43.587 1.00 52.07 C +ATOM 301 C HIS C 49 40.074 -14.693 -42.783 1.00 49.12 C +ATOM 302 O HIS C 49 40.971 -15.304 -43.349 1.00 51.73 O +ATOM 303 CB HIS C 49 39.018 -14.339 -45.042 1.00 54.01 C +ATOM 304 CG HIS C 49 37.846 -13.797 -45.806 1.00 65.98 C +ATOM 305 ND1 HIS C 49 36.538 -14.025 -45.428 1.00 70.19 N +ATOM 306 CD2 HIS C 49 37.786 -13.040 -46.930 1.00 63.45 C +ATOM 307 CE1 HIS C 49 35.724 -13.426 -46.280 1.00 66.77 C +ATOM 308 NE2 HIS C 49 36.455 -12.823 -47.201 1.00 75.06 N +ATOM 309 N LYS C 50 39.868 -14.749 -41.466 1.00 41.33 N +ATOM 310 CA LYS C 50 40.862 -15.304 -40.540 1.00 36.12 C +ATOM 311 C LYS C 50 40.931 -16.835 -40.528 1.00 32.29 C +ATOM 312 O LYS C 50 39.956 -17.522 -40.835 1.00 34.16 O +ATOM 313 CB LYS C 50 40.616 -14.780 -39.117 1.00 35.65 C +ATOM 314 CG LYS C 50 40.822 -13.261 -38.941 1.00 35.97 C +ATOM 315 CD LYS C 50 42.204 -12.929 -38.360 1.00 37.77 C +ATOM 316 CE LYS C 50 42.389 -11.440 -38.056 1.00 46.41 C +ATOM 317 NZ LYS C 50 41.457 -10.942 -36.999 1.00 44.89 N +ATOM 318 N ALA C 51 42.107 -17.343 -40.156 1.00 26.22 N +ATOM 319 CA ALA C 51 42.396 -18.779 -40.054 1.00 24.90 C +ATOM 320 C ALA C 51 41.433 -19.522 -39.120 1.00 24.82 C +ATOM 321 O ALA C 51 40.888 -20.550 -39.483 1.00 29.64 O +ATOM 322 CB ALA C 51 43.846 -18.985 -39.576 1.00 17.53 C +ATOM 323 N CYS C 52 41.245 -19.023 -37.904 1.00 23.95 N +ATOM 324 CA CYS C 52 40.194 -19.561 -37.010 1.00 22.56 C +ATOM 325 C CYS C 52 39.052 -18.562 -36.953 1.00 20.87 C +ATOM 326 O CYS C 52 39.235 -17.428 -36.483 1.00 21.37 O +ATOM 327 CB CYS C 52 40.755 -19.800 -35.615 1.00 21.85 C +ATOM 328 SG CYS C 52 42.043 -20.970 -35.602 1.00 20.68 S +ATOM 329 N SER C 53 37.890 -18.932 -37.474 1.00 16.22 N +ATOM 330 CA SER C 53 36.781 -17.988 -37.482 1.00 20.35 C +ATOM 331 C SER C 53 36.095 -17.917 -36.119 1.00 20.39 C +ATOM 332 O SER C 53 36.367 -18.709 -35.223 1.00 20.33 O +ATOM 333 CB SER C 53 35.796 -18.288 -38.597 1.00 24.97 C +ATOM 334 OG SER C 53 35.481 -19.644 -38.643 1.00 38.79 O +ATOM 335 N GLY C 54 35.253 -16.909 -35.938 1.00 21.09 N +ATOM 336 CA GLY C 54 34.591 -16.689 -34.649 1.00 17.43 C +ATOM 337 C GLY C 54 33.695 -17.851 -34.274 1.00 15.00 C +ATOM 338 O GLY C 54 32.935 -18.351 -35.096 1.00 17.43 O +ATOM 339 N VAL C 55 33.816 -18.325 -33.044 1.00 15.47 N +ATOM 340 CA VAL C 55 32.947 -19.378 -32.583 1.00 11.53 C +ATOM 341 C VAL C 55 32.447 -19.128 -31.194 1.00 13.69 C +ATOM 342 O VAL C 55 33.018 -18.348 -30.419 1.00 14.57 O +ATOM 343 CB VAL C 55 33.623 -20.773 -32.636 1.00 16.39 C +ATOM 344 CG1 VAL C 55 33.925 -21.134 -34.075 1.00 17.61 C +ATOM 345 CG2 VAL C 55 34.910 -20.793 -31.746 1.00 16.32 C +ATOM 346 N TRP C 56 31.374 -19.832 -30.882 1.00 16.45 N +ATOM 347 CA TRP C 56 30.802 -19.846 -29.553 1.00 15.53 C +ATOM 348 C TRP C 56 30.946 -21.257 -28.959 1.00 14.38 C +ATOM 349 O TRP C 56 30.476 -22.244 -29.536 1.00 15.33 O +ATOM 350 CB TRP C 56 29.327 -19.493 -29.659 1.00 16.35 C +ATOM 351 CG TRP C 56 28.606 -19.435 -28.356 1.00 15.15 C +ATOM 352 CD1 TRP C 56 27.849 -20.422 -27.798 1.00 14.34 C +ATOM 353 CD2 TRP C 56 28.513 -18.315 -27.487 1.00 13.69 C +ATOM 354 NE1 TRP C 56 27.321 -19.988 -26.621 1.00 15.16 N +ATOM 355 CE2 TRP C 56 27.712 -18.701 -26.403 1.00 14.66 C +ATOM 356 CE3 TRP C 56 29.060 -17.025 -27.501 1.00 13.99 C +ATOM 357 CZ2 TRP C 56 27.438 -17.854 -25.338 1.00 19.46 C +ATOM 358 CZ3 TRP C 56 28.785 -16.185 -26.464 1.00 17.02 C +ATOM 359 CH2 TRP C 56 27.963 -16.609 -25.383 1.00 13.09 C +ATOM 360 N ASP C 57 31.578 -21.356 -27.796 1.00 13.01 N +ATOM 361 CA ASP C 57 31.820 -22.670 -27.178 1.00 10.10 C +ATOM 362 C ASP C 57 32.012 -22.430 -25.677 1.00 9.29 C +ATOM 363 O ASP C 57 32.634 -21.438 -25.310 1.00 17.82 O +ATOM 364 CB ASP C 57 33.103 -23.258 -27.793 1.00 16.05 C +ATOM 365 CG ASP C 57 33.260 -24.746 -27.553 1.00 13.48 C +ATOM 366 OD1 ASP C 57 32.239 -25.444 -27.611 1.00 24.42 O +ATOM 367 OD2 ASP C 57 34.416 -25.210 -27.407 1.00 23.71 O +ATOM 368 N ASN C 58 31.538 -23.354 -24.836 1.00 14.67 N +ATOM 369 CA ASN C 58 31.644 -23.201 -23.405 1.00 15.24 C +ATOM 370 C ASN C 58 31.126 -21.815 -23.001 1.00 16.36 C +ATOM 371 O ASN C 58 31.746 -21.094 -22.223 1.00 17.88 O +ATOM 372 CB ASN C 58 33.092 -23.410 -22.930 1.00 19.30 C +ATOM 373 CG ASN C 58 33.625 -24.804 -23.214 1.00 17.42 C +ATOM 374 OD1 ASN C 58 34.769 -24.945 -23.574 1.00 27.11 O +ATOM 375 ND2 ASN C 58 32.812 -25.839 -23.018 1.00 17.64 N +ATOM 376 N ILE C 59 29.985 -21.438 -23.565 1.00 17.20 N +ATOM 377 CA ILE C 59 29.308 -20.195 -23.205 1.00 16.18 C +ATOM 378 C ILE C 59 30.150 -18.958 -23.333 1.00 19.31 C +ATOM 379 O ILE C 59 29.980 -17.982 -22.576 1.00 17.76 O +ATOM 380 CB ILE C 59 28.681 -20.261 -21.782 1.00 23.67 C +ATOM 381 CG1 ILE C 59 28.232 -21.684 -21.449 1.00 38.43 C +ATOM 382 CG2 ILE C 59 27.442 -19.438 -21.708 1.00 31.43 C +ATOM 383 CD1 ILE C 59 27.456 -21.799 -20.148 1.00 45.88 C +ATOM 384 N THR C 60 31.028 -18.961 -24.331 1.00 16.60 N +ATOM 385 CA THR C 60 32.026 -17.928 -24.472 1.00 17.52 C +ATOM 386 C THR C 60 32.227 -17.617 -25.938 1.00 16.08 C +ATOM 387 O THR C 60 32.168 -18.508 -26.761 1.00 10.98 O +ATOM 388 CB THR C 60 33.339 -18.436 -23.870 1.00 17.55 C +ATOM 389 OG1 THR C 60 33.119 -18.725 -22.497 1.00 19.82 O +ATOM 390 CG2 THR C 60 34.447 -17.431 -24.002 1.00 10.46 C +ATOM 391 N CYS C 61 32.398 -16.344 -26.268 1.00 15.43 N +ATOM 392 CA CYS C 61 32.739 -15.964 -27.613 1.00 13.59 C +ATOM 393 C CYS C 61 34.252 -16.085 -27.763 1.00 15.71 C +ATOM 394 O CYS C 61 35.008 -15.552 -26.932 1.00 17.11 O +ATOM 395 CB CYS C 61 32.348 -14.516 -27.855 1.00 18.58 C +ATOM 396 SG CYS C 61 32.498 -13.949 -29.579 1.00 24.04 S +ATOM 397 N TRP C 62 34.686 -16.722 -28.849 1.00 14.20 N +ATOM 398 CA TRP C 62 36.090 -16.851 -29.204 1.00 15.18 C +ATOM 399 C TRP C 62 36.306 -16.086 -30.516 1.00 12.87 C +ATOM 400 O TRP C 62 35.886 -16.530 -31.567 1.00 18.30 O +ATOM 401 CB TRP C 62 36.449 -18.329 -29.351 1.00 14.26 C +ATOM 402 CG TRP C 62 36.158 -19.080 -28.150 1.00 11.44 C +ATOM 403 CD1 TRP C 62 35.042 -19.751 -27.894 1.00 13.88 C +ATOM 404 CD2 TRP C 62 36.976 -19.196 -27.000 1.00 11.25 C +ATOM 405 NE1 TRP C 62 35.096 -20.298 -26.664 1.00 16.74 N +ATOM 406 CE2 TRP C 62 36.290 -19.962 -26.088 1.00 13.38 C +ATOM 407 CE3 TRP C 62 38.220 -18.683 -26.638 1.00 19.67 C +ATOM 408 CZ2 TRP C 62 36.809 -20.268 -24.837 1.00 12.76 C +ATOM 409 CZ3 TRP C 62 38.728 -18.985 -25.407 1.00 10.48 C +ATOM 410 CH2 TRP C 62 38.039 -19.771 -24.528 1.00 14.08 C +ATOM 411 N ARG C 63 36.938 -14.925 -30.427 1.00 16.95 N +ATOM 412 CA ARG C 63 37.076 -13.986 -31.543 1.00 17.93 C +ATOM 413 C ARG C 63 37.859 -14.585 -32.683 1.00 19.34 C +ATOM 414 O ARG C 63 38.704 -15.466 -32.466 1.00 22.54 O +ATOM 415 CB ARG C 63 37.808 -12.732 -31.063 1.00 21.14 C +ATOM 416 CG ARG C 63 39.193 -13.013 -30.392 1.00 26.45 C +ATOM 417 CD ARG C 63 40.208 -12.002 -30.859 1.00 31.00 C +ATOM 418 NE ARG C 63 41.518 -12.107 -30.219 1.00 25.65 N +ATOM 419 CZ ARG C 63 42.650 -12.424 -30.849 1.00 29.62 C +ATOM 420 NH1 ARG C 63 42.660 -12.719 -32.152 1.00 25.47 N +ATOM 421 NH2 ARG C 63 43.796 -12.469 -30.168 1.00 31.36 N +ATOM 422 N PRO C 64 37.620 -14.098 -33.909 1.00 20.13 N +ATOM 423 CA PRO C 64 38.441 -14.609 -35.008 1.00 18.47 C +ATOM 424 C PRO C 64 39.925 -14.420 -34.718 1.00 17.99 C +ATOM 425 O PRO C 64 40.296 -13.449 -34.064 1.00 22.35 O +ATOM 426 CB PRO C 64 37.984 -13.786 -36.209 1.00 18.49 C +ATOM 427 CG PRO C 64 36.602 -13.340 -35.862 1.00 26.34 C +ATOM 428 CD PRO C 64 36.608 -13.134 -34.375 1.00 26.13 C +ATOM 429 N ALA C 65 40.752 -15.359 -35.164 1.00 20.79 N +ATOM 430 CA ALA C 65 42.166 -15.375 -34.785 1.00 22.97 C +ATOM 431 C ALA C 65 43.023 -16.045 -35.835 1.00 23.40 C +ATOM 432 O ALA C 65 42.506 -16.690 -36.753 1.00 23.21 O +ATOM 433 CB ALA C 65 42.350 -16.076 -33.441 1.00 21.61 C +ATOM 434 N ASN C 66 44.341 -15.877 -35.690 1.00 30.37 N +ATOM 435 CA ASN C 66 45.339 -16.404 -36.645 1.00 28.44 C +ATOM 436 C ASN C 66 46.178 -17.506 -36.045 1.00 21.57 C +ATOM 437 O ASN C 66 46.330 -17.594 -34.827 1.00 22.67 O +ATOM 438 CB ASN C 66 46.310 -15.291 -37.057 1.00 29.15 C +ATOM 439 CG ASN C 66 45.632 -14.186 -37.808 1.00 30.36 C +ATOM 440 OD1 ASN C 66 44.927 -14.428 -38.787 1.00 33.37 O +ATOM 441 ND2 ASN C 66 45.840 -12.963 -37.356 1.00 20.35 N +ATOM 442 N VAL C 67 46.792 -18.302 -36.907 1.00 24.61 N +ATOM 443 CA VAL C 67 47.596 -19.388 -36.434 1.00 22.45 C +ATOM 444 C VAL C 67 48.575 -18.802 -35.425 1.00 23.99 C +ATOM 445 O VAL C 67 49.109 -17.731 -35.623 1.00 31.38 O +ATOM 446 CB VAL C 67 48.312 -20.132 -37.588 1.00 29.53 C +ATOM 447 CG1 VAL C 67 49.080 -21.377 -37.050 1.00 22.61 C +ATOM 448 CG2 VAL C 67 47.289 -20.558 -38.686 1.00 21.24 C +ATOM 449 N GLY C 68 48.762 -19.499 -34.315 1.00 24.37 N +ATOM 450 CA GLY C 68 49.752 -19.133 -33.316 1.00 22.19 C +ATOM 451 C GLY C 68 49.226 -18.250 -32.212 1.00 26.06 C +ATOM 452 O GLY C 68 49.920 -18.022 -31.222 1.00 26.30 O +ATOM 453 N GLU C 69 48.008 -17.736 -32.365 1.00 25.55 N +ATOM 454 CA GLU C 69 47.398 -16.940 -31.320 1.00 23.51 C +ATOM 455 C GLU C 69 46.779 -17.865 -30.253 1.00 20.17 C +ATOM 456 O GLU C 69 46.331 -18.962 -30.551 1.00 23.02 O +ATOM 457 CB GLU C 69 46.310 -16.031 -31.897 1.00 25.56 C +ATOM 458 CG GLU C 69 46.796 -14.882 -32.753 1.00 25.50 C +ATOM 459 CD GLU C 69 45.721 -13.829 -32.908 1.00 25.71 C +ATOM 460 OE1 GLU C 69 45.708 -12.901 -32.089 1.00 31.28 O +ATOM 461 OE2 GLU C 69 44.851 -13.958 -33.796 1.00 27.13 O +ATOM 462 N THR C 70 46.751 -17.382 -29.020 1.00 20.56 N +ATOM 463 CA THR C 70 46.013 -17.985 -27.949 1.00 20.56 C +ATOM 464 C THR C 70 45.059 -16.931 -27.458 1.00 23.37 C +ATOM 465 O THR C 70 45.488 -15.810 -27.192 1.00 24.06 O +ATOM 466 CB THR C 70 46.956 -18.361 -26.836 1.00 24.82 C +ATOM 467 OG1 THR C 70 47.775 -19.424 -27.296 1.00 25.07 O +ATOM 468 CG2 THR C 70 46.202 -18.801 -25.581 1.00 20.62 C +ATOM 469 N VAL C 71 43.758 -17.255 -27.405 1.00 20.16 N +ATOM 470 CA VAL C 71 42.749 -16.326 -26.912 1.00 16.28 C +ATOM 471 C VAL C 71 42.400 -16.779 -25.509 1.00 17.68 C +ATOM 472 O VAL C 71 42.106 -17.957 -25.303 1.00 17.98 O +ATOM 473 CB VAL C 71 41.501 -16.379 -27.776 1.00 19.13 C +ATOM 474 CG1 VAL C 71 40.420 -15.533 -27.195 1.00 18.01 C +ATOM 475 CG2 VAL C 71 41.851 -16.001 -29.219 1.00 18.22 C +ATOM 476 N THR C 72 42.458 -15.861 -24.551 1.00 17.85 N +ATOM 477 CA THR C 72 42.216 -16.137 -23.135 1.00 17.74 C +ATOM 478 C THR C 72 41.200 -15.165 -22.617 1.00 19.17 C +ATOM 479 O THR C 72 41.341 -13.973 -22.820 1.00 27.32 O +ATOM 480 CB THR C 72 43.502 -15.964 -22.283 1.00 21.65 C +ATOM 481 OG1 THR C 72 44.501 -16.840 -22.777 1.00 20.19 O +ATOM 482 CG2 THR C 72 43.233 -16.265 -20.798 1.00 28.73 C +ATOM 483 N VAL C 73 40.176 -15.661 -21.944 1.00 20.07 N +ATOM 484 CA VAL C 73 39.162 -14.811 -21.416 1.00 20.02 C +ATOM 485 C VAL C 73 38.775 -15.295 -20.054 1.00 24.80 C +ATOM 486 O VAL C 73 38.986 -16.477 -19.733 1.00 23.96 O +ATOM 487 CB VAL C 73 37.872 -14.846 -22.277 1.00 27.18 C +ATOM 488 CG1 VAL C 73 38.140 -14.338 -23.697 1.00 27.70 C +ATOM 489 CG2 VAL C 73 37.275 -16.240 -22.288 1.00 22.38 C +ATOM 490 N PRO C 74 38.173 -14.410 -19.256 1.00 25.46 N +ATOM 491 CA PRO C 74 37.784 -14.833 -17.935 1.00 23.74 C +ATOM 492 C PRO C 74 36.670 -15.823 -17.996 1.00 23.14 C +ATOM 493 O PRO C 74 35.923 -15.840 -18.942 1.00 25.13 O +ATOM 494 CB PRO C 74 37.324 -13.522 -17.249 1.00 27.23 C +ATOM 495 CG PRO C 74 37.256 -12.504 -18.314 1.00 31.95 C +ATOM 496 CD PRO C 74 38.137 -12.937 -19.405 1.00 26.43 C +ATOM 497 N CYS C 75 36.541 -16.652 -16.972 1.00 23.04 N +ATOM 498 CA CYS C 75 35.438 -17.620 -16.944 1.00 25.21 C +ATOM 499 C CYS C 75 34.155 -16.837 -17.039 1.00 24.00 C +ATOM 500 O CYS C 75 34.128 -15.689 -16.648 1.00 27.23 O +ATOM 501 CB CYS C 75 35.464 -18.450 -15.649 1.00 26.45 C +ATOM 502 SG CYS C 75 36.722 -19.756 -15.628 1.00 28.77 S +ATOM 503 N PRO C 76 33.087 -17.454 -17.545 1.00 21.77 N +ATOM 504 CA PRO C 76 31.894 -16.708 -17.753 1.00 22.82 C +ATOM 505 C PRO C 76 31.473 -16.172 -16.433 1.00 27.34 C +ATOM 506 O PRO C 76 31.154 -16.946 -15.537 1.00 26.91 O +ATOM 507 CB PRO C 76 30.894 -17.748 -18.290 1.00 29.54 C +ATOM 508 CG PRO C 76 31.695 -18.797 -18.852 1.00 27.75 C +ATOM 509 CD PRO C 76 33.052 -18.755 -18.234 1.00 24.46 C +ATOM 510 N LYS C 77 31.500 -14.845 -16.315 1.00 39.79 N +ATOM 511 CA LYS C 77 31.120 -14.145 -15.095 1.00 41.96 C +ATOM 512 C LYS C 77 29.723 -14.581 -14.650 1.00 38.99 C +ATOM 513 O LYS C 77 29.430 -14.623 -13.447 1.00 33.61 O +ATOM 514 CB LYS C 77 31.182 -12.619 -15.306 1.00 47.38 C +ATOM 515 CG LYS C 77 32.605 -12.062 -15.362 1.00 52.36 C +ATOM 516 N VAL C 78 28.873 -14.939 -15.610 1.00 32.84 N +ATOM 517 CA VAL C 78 27.504 -15.341 -15.276 1.00 37.76 C +ATOM 518 C VAL C 78 27.429 -16.426 -14.181 1.00 37.72 C +ATOM 519 O VAL C 78 26.514 -16.404 -13.370 1.00 39.62 O +ATOM 520 CB VAL C 78 26.669 -15.755 -16.540 1.00 40.78 C +ATOM 521 CG1 VAL C 78 27.037 -17.143 -17.046 1.00 35.35 C +ATOM 522 CG2 VAL C 78 25.209 -15.697 -16.218 1.00 37.26 C +ATOM 523 N PHE C 79 28.397 -17.343 -14.133 1.00 37.39 N +ATOM 524 CA PHE C 79 28.391 -18.395 -13.112 1.00 43.93 C +ATOM 525 C PHE C 79 29.383 -18.157 -11.968 1.00 46.32 C +ATOM 526 O PHE C 79 29.905 -19.114 -11.361 1.00 44.08 O +ATOM 527 CB PHE C 79 28.623 -19.772 -13.760 1.00 46.81 C +ATOM 528 CG PHE C 79 27.566 -20.156 -14.778 1.00 56.82 C +ATOM 529 CD1 PHE C 79 26.227 -19.812 -14.592 1.00 73.95 C +ATOM 530 CD2 PHE C 79 27.913 -20.878 -15.913 1.00 67.37 C +ATOM 531 CE1 PHE C 79 25.262 -20.162 -15.531 1.00 88.24 C +ATOM 532 CE2 PHE C 79 26.952 -21.237 -16.850 1.00 81.35 C +ATOM 533 CZ PHE C 79 25.624 -20.878 -16.660 1.00 86.25 C +ATOM 534 N SER C 80 29.606 -16.884 -11.648 1.00 47.56 N +ATOM 535 CA SER C 80 30.580 -16.489 -10.611 1.00 51.34 C +ATOM 536 C SER C 80 30.335 -17.145 -9.246 1.00 46.70 C +ATOM 537 O SER C 80 31.277 -17.558 -8.585 1.00 38.44 O +ATOM 538 CB SER C 80 30.606 -14.962 -10.452 1.00 51.53 C +ATOM 539 OG SER C 80 31.303 -14.357 -11.532 1.00 63.90 O +ATOM 540 N ASN C 81 29.068 -17.254 -8.853 1.00 46.03 N +ATOM 541 CA ASN C 81 28.705 -17.785 -7.548 1.00 53.01 C +ATOM 542 C ASN C 81 29.022 -19.269 -7.433 1.00 55.98 C +ATOM 543 O ASN C 81 29.090 -19.800 -6.321 1.00 59.33 O +ATOM 544 CB ASN C 81 27.215 -17.561 -7.256 1.00 55.27 C +ATOM 545 CG ASN C 81 26.820 -16.086 -7.283 1.00 60.11 C +ATOM 546 OD1 ASN C 81 27.559 -15.217 -6.821 1.00 64.70 O +ATOM 547 ND2 ASN C 81 25.648 -15.804 -7.838 1.00 59.45 N +ATOM 548 N PHE C 82 29.213 -19.929 -8.578 1.00 55.36 N +ATOM 549 CA PHE C 82 29.536 -21.362 -8.619 1.00 56.15 C +ATOM 550 C PHE C 82 31.040 -21.630 -8.787 1.00 51.81 C +ATOM 551 O PHE C 82 31.454 -22.776 -8.904 1.00 45.65 O +ATOM 552 CB PHE C 82 28.727 -22.050 -9.730 1.00 54.52 C +ATOM 553 CG PHE C 82 27.239 -21.852 -9.602 1.00 64.24 C +ATOM 554 CD1 PHE C 82 26.518 -22.521 -8.618 1.00 77.55 C +ATOM 555 CD2 PHE C 82 26.564 -20.981 -10.447 1.00 62.35 C +ATOM 556 CE1 PHE C 82 25.144 -22.330 -8.488 1.00 80.16 C +ATOM 557 CE2 PHE C 82 25.196 -20.786 -10.322 1.00 72.12 C +ATOM 558 CZ PHE C 82 24.484 -21.462 -9.345 1.00 76.98 C +ATOM 559 N TYR C 83 31.852 -20.576 -8.785 1.00 53.49 N +ATOM 560 CA TYR C 83 33.311 -20.727 -8.836 1.00 54.62 C +ATOM 561 C TYR C 83 33.961 -20.759 -7.445 1.00 58.02 C +ATOM 562 O TYR C 83 33.516 -20.085 -6.516 1.00 60.10 O +ATOM 563 CB TYR C 83 33.931 -19.617 -9.700 1.00 53.67 C +ATOM 564 CG TYR C 83 33.382 -19.573 -11.117 1.00 43.07 C +ATOM 565 CD1 TYR C 83 32.897 -20.730 -11.741 1.00 48.46 C +ATOM 566 CD2 TYR C 83 33.358 -18.390 -11.836 1.00 39.88 C +ATOM 567 CE1 TYR C 83 32.394 -20.704 -13.017 1.00 49.34 C +ATOM 568 CE2 TYR C 83 32.846 -18.347 -13.122 1.00 37.48 C +ATOM 569 CZ TYR C 83 32.368 -19.518 -13.711 1.00 49.58 C +ATOM 570 OH TYR C 83 31.859 -19.522 -14.990 1.00 35.28 O +ATOM 571 N SER C 84 35.007 -21.566 -7.313 1.00 60.37 N +ATOM 572 CA SER C 84 35.813 -21.605 -6.102 1.00 62.89 C +ATOM 573 C SER C 84 37.126 -20.846 -6.318 1.00 67.56 C +ATOM 574 O SER C 84 37.939 -20.724 -5.399 1.00 69.51 O +ATOM 575 CB SER C 84 36.119 -23.054 -5.743 1.00 63.50 C +ATOM 576 OG SER C 84 36.838 -23.682 -6.792 1.00 59.62 O +ATOM 577 N LYS C 85 37.314 -20.329 -7.532 1.00 68.64 N +ATOM 578 CA LYS C 85 38.614 -19.850 -8.003 1.00 67.96 C +ATOM 579 C LYS C 85 38.430 -18.641 -8.920 1.00 65.71 C +ATOM 580 O LYS C 85 37.326 -18.394 -9.405 1.00 65.31 O +ATOM 581 CB LYS C 85 39.290 -20.994 -8.765 1.00 67.13 C +ATOM 582 CG LYS C 85 40.683 -20.716 -9.304 1.00 69.72 C +ATOM 583 CD LYS C 85 41.470 -22.014 -9.505 1.00 72.23 C +ATOM 584 CE LYS C 85 40.720 -23.029 -10.372 1.00 70.23 C +ATOM 585 NZ LYS C 85 41.443 -24.327 -10.437 1.00 68.56 N +ATOM 586 N ALA C 86 39.504 -17.882 -9.134 1.00 63.38 N +ATOM 587 CA ALA C 86 39.533 -16.840 -10.167 1.00 59.50 C +ATOM 588 C ALA C 86 40.098 -17.459 -11.444 1.00 54.30 C +ATOM 589 O ALA C 86 41.300 -17.670 -11.562 1.00 58.86 O +ATOM 590 CB ALA C 86 40.380 -15.653 -9.721 1.00 59.48 C +ATOM 591 N GLY C 87 39.223 -17.755 -12.394 1.00 50.10 N +ATOM 592 CA GLY C 87 39.593 -18.552 -13.555 1.00 42.83 C +ATOM 593 C GLY C 87 39.502 -17.837 -14.890 1.00 31.74 C +ATOM 594 O GLY C 87 38.637 -16.987 -15.120 1.00 35.15 O +ATOM 595 N ASN C 88 40.418 -18.218 -15.763 1.00 24.35 N +ATOM 596 CA ASN C 88 40.418 -17.875 -17.159 1.00 28.76 C +ATOM 597 C ASN C 88 40.394 -19.153 -17.973 1.00 24.17 C +ATOM 598 O ASN C 88 40.954 -20.163 -17.566 1.00 26.00 O +ATOM 599 CB ASN C 88 41.701 -17.132 -17.515 1.00 27.74 C +ATOM 600 CG ASN C 88 41.854 -15.868 -16.733 1.00 39.55 C +ATOM 601 OD1 ASN C 88 40.898 -15.112 -16.557 1.00 42.66 O +ATOM 602 ND2 ASN C 88 43.059 -15.630 -16.240 1.00 27.28 N +ATOM 603 N ILE C 89 39.801 -19.077 -19.153 1.00 17.18 N +ATOM 604 CA ILE C 89 39.831 -20.176 -20.126 1.00 16.61 C +ATOM 605 C ILE C 89 40.447 -19.691 -21.428 1.00 14.66 C +ATOM 606 O ILE C 89 40.409 -18.500 -21.740 1.00 17.36 O +ATOM 607 CB ILE C 89 38.444 -20.796 -20.369 1.00 18.44 C +ATOM 608 CG1 ILE C 89 37.395 -19.701 -20.551 1.00 20.42 C +ATOM 609 CG2 ILE C 89 38.062 -21.734 -19.214 1.00 19.67 C +ATOM 610 CD1 ILE C 89 35.986 -20.186 -20.908 1.00 23.45 C +ATOM 611 N SER C 90 41.004 -20.625 -22.193 1.00 12.66 N +ATOM 612 CA SER C 90 41.792 -20.284 -23.344 1.00 16.84 C +ATOM 613 C SER C 90 41.541 -21.271 -24.447 1.00 12.27 C +ATOM 614 O SER C 90 41.178 -22.402 -24.194 1.00 15.30 O +ATOM 615 CB SER C 90 43.301 -20.351 -23.016 1.00 19.06 C +ATOM 616 OG SER C 90 43.698 -19.414 -22.029 1.00 24.71 O +ATOM 617 N LYS C 91 41.759 -20.833 -25.682 1.00 18.93 N +ATOM 618 CA LYS C 91 41.908 -21.746 -26.815 1.00 19.46 C +ATOM 619 C LYS C 91 43.074 -21.250 -27.638 1.00 23.41 C +ATOM 620 O LYS C 91 43.314 -20.055 -27.704 1.00 21.80 O +ATOM 621 CB LYS C 91 40.693 -21.717 -27.728 1.00 18.95 C +ATOM 622 CG LYS C 91 39.424 -22.331 -27.175 1.00 18.53 C +ATOM 623 CD LYS C 91 38.357 -22.350 -28.245 1.00 8.52 C +ATOM 624 CE LYS C 91 37.037 -22.960 -27.730 1.00 8.89 C +ATOM 625 NZ LYS C 91 37.205 -24.408 -27.454 1.00 11.70 N +ATOM 626 N ASN C 92 43.749 -22.170 -28.309 1.00 15.94 N +ATOM 627 CA ASN C 92 44.766 -21.823 -29.281 1.00 18.76 C +ATOM 628 C ASN C 92 44.179 -21.959 -30.679 1.00 17.05 C +ATOM 629 O ASN C 92 43.407 -22.878 -30.956 1.00 19.49 O +ATOM 630 CB ASN C 92 45.984 -22.764 -29.142 1.00 24.06 C +ATOM 631 CG ASN C 92 46.679 -22.658 -27.781 1.00 31.39 C +ATOM 632 OD1 ASN C 92 46.889 -21.568 -27.251 1.00 32.74 O +ATOM 633 ND2 ASN C 92 47.054 -23.820 -27.217 1.00 30.57 N +ATOM 634 N CYS C 93 44.528 -21.025 -31.560 1.00 15.95 N +ATOM 635 CA CYS C 93 44.235 -21.170 -32.983 1.00 17.19 C +ATOM 636 C CYS C 93 45.448 -21.800 -33.601 1.00 19.01 C +ATOM 637 O CYS C 93 46.543 -21.221 -33.554 1.00 20.24 O +ATOM 638 CB CYS C 93 43.986 -19.809 -33.622 1.00 18.40 C +ATOM 639 SG CYS C 93 43.707 -19.848 -35.384 1.00 21.63 S +ATOM 640 N THR C 94 45.271 -22.996 -34.142 1.00 20.23 N +ATOM 641 CA THR C 94 46.370 -23.728 -34.710 1.00 20.96 C +ATOM 642 C THR C 94 46.048 -23.957 -36.155 1.00 24.72 C +ATOM 643 O THR C 94 44.958 -23.632 -36.612 1.00 25.08 O +ATOM 644 CB THR C 94 46.540 -25.073 -34.009 1.00 24.16 C +ATOM 645 OG1 THR C 94 45.437 -25.914 -34.341 1.00 16.95 O +ATOM 646 CG2 THR C 94 46.605 -24.883 -32.497 1.00 24.00 C +ATOM 647 N SER C 95 46.991 -24.568 -36.867 1.00 27.13 N +ATOM 648 CA SER C 95 46.833 -24.857 -38.283 1.00 26.35 C +ATOM 649 C SER C 95 45.727 -25.874 -38.518 1.00 28.77 C +ATOM 650 O SER C 95 45.217 -25.984 -39.641 1.00 29.90 O +ATOM 651 CB SER C 95 48.165 -25.336 -38.881 1.00 31.83 C +ATOM 652 OG SER C 95 48.749 -26.339 -38.075 1.00 35.39 O +ATOM 653 N ASP C 96 45.338 -26.583 -37.449 1.00 30.93 N +ATOM 654 CA ASP C 96 44.211 -27.521 -37.479 1.00 30.62 C +ATOM 655 C ASP C 96 42.902 -26.868 -37.075 1.00 29.47 C +ATOM 656 O ASP C 96 41.828 -27.516 -37.094 1.00 21.62 O +ATOM 657 CB ASP C 96 44.476 -28.687 -36.511 1.00 34.14 C +ATOM 658 CG ASP C 96 45.719 -29.467 -36.865 1.00 38.49 C +ATOM 659 OD1 ASP C 96 45.853 -29.830 -38.050 1.00 21.87 O +ATOM 660 OD2 ASP C 96 46.543 -29.712 -35.956 1.00 36.19 O +ATOM 661 N GLY C 97 42.995 -25.607 -36.667 1.00 22.05 N +ATOM 662 CA GLY C 97 41.825 -24.868 -36.227 1.00 22.64 C +ATOM 663 C GLY C 97 41.875 -24.594 -34.735 1.00 23.69 C +ATOM 664 O GLY C 97 42.981 -24.562 -34.101 1.00 20.10 O +ATOM 665 N TRP C 98 40.686 -24.364 -34.171 1.00 15.82 N +ATOM 666 CA TRP C 98 40.580 -24.030 -32.774 1.00 15.37 C +ATOM 667 C TRP C 98 40.892 -25.267 -31.914 1.00 14.28 C +ATOM 668 O TRP C 98 40.412 -26.339 -32.200 1.00 17.27 O +ATOM 669 CB TRP C 98 39.155 -23.554 -32.428 1.00 12.38 C +ATOM 670 CG TRP C 98 38.830 -22.163 -32.768 1.00 17.38 C +ATOM 671 CD1 TRP C 98 37.915 -21.741 -33.666 1.00 13.56 C +ATOM 672 CD2 TRP C 98 39.409 -20.997 -32.202 1.00 14.06 C +ATOM 673 NE1 TRP C 98 37.889 -20.382 -33.706 1.00 19.31 N +ATOM 674 CE2 TRP C 98 38.797 -19.895 -32.810 1.00 8.57 C +ATOM 675 CE3 TRP C 98 40.416 -20.768 -31.245 1.00 17.34 C +ATOM 676 CZ2 TRP C 98 39.125 -18.585 -32.484 1.00 16.14 C +ATOM 677 CZ3 TRP C 98 40.733 -19.459 -30.920 1.00 21.20 C +ATOM 678 CH2 TRP C 98 40.096 -18.389 -31.547 1.00 22.56 C +ATOM 679 N SER C 99 41.669 -25.090 -30.845 1.00 19.84 N +ATOM 680 CA SER C 99 41.893 -26.164 -29.890 1.00 18.47 C +ATOM 681 C SER C 99 40.677 -26.302 -28.989 1.00 16.29 C +ATOM 682 O SER C 99 39.798 -25.471 -28.978 1.00 17.76 O +ATOM 683 CB SER C 99 43.107 -25.870 -29.007 1.00 21.12 C +ATOM 684 OG SER C 99 42.821 -24.857 -28.027 1.00 19.97 O +ATOM 685 N GLU C 100 40.645 -27.379 -28.247 1.00 10.96 N +ATOM 686 CA GLU C 100 39.708 -27.524 -27.148 1.00 14.08 C +ATOM 687 C GLU C 100 40.023 -26.443 -26.109 1.00 13.36 C +ATOM 688 O GLU C 100 41.112 -25.871 -26.053 1.00 13.90 O +ATOM 689 CB GLU C 100 39.860 -28.938 -26.558 1.00 18.46 C +ATOM 690 CG AGLU C 100 38.946 -30.080 -27.277 0.50 26.75 C +ATOM 691 CG BGLU C 100 41.176 -29.041 -25.749 0.50 13.07 C +ATOM 692 CD AGLU C 100 37.781 -29.629 -28.196 0.50 41.32 C +ATOM 693 CD BGLU C 100 42.260 -29.799 -26.544 0.50 37.39 C +ATOM 694 OE1AGLU C 100 36.757 -29.123 -27.679 0.50 23.47 O +ATOM 695 OE1BGLU C 100 42.825 -29.218 -27.515 0.50 8.48 O +ATOM 696 OE2AGLU C 100 37.864 -29.854 -29.436 0.50 11.73 O +ATOM 697 OE2BGLU C 100 42.521 -30.981 -26.199 0.50 21.40 O +ATOM 698 N THR C 101 39.061 -26.116 -25.295 1.00 14.79 N +ATOM 699 CA THR C 101 39.259 -25.100 -24.274 1.00 11.32 C +ATOM 700 C THR C 101 40.187 -25.635 -23.185 1.00 15.69 C +ATOM 701 O THR C 101 40.116 -26.817 -22.813 1.00 15.84 O +ATOM 702 CB THR C 101 37.934 -24.724 -23.646 1.00 12.23 C +ATOM 703 OG1 THR C 101 37.068 -24.170 -24.640 1.00 13.48 O +ATOM 704 CG2 THR C 101 38.143 -23.678 -22.537 1.00 10.74 C +ATOM 705 N PHE C 102 41.109 -24.809 -22.701 1.00 16.19 N +ATOM 706 CA PHE C 102 41.983 -25.282 -21.645 1.00 17.79 C +ATOM 707 C PHE C 102 42.233 -24.233 -20.595 1.00 19.39 C +ATOM 708 O PHE C 102 42.344 -23.066 -20.918 1.00 18.37 O +ATOM 709 CB PHE C 102 43.297 -25.781 -22.209 1.00 17.95 C +ATOM 710 CG PHE C 102 44.110 -24.722 -22.856 1.00 18.70 C +ATOM 711 CD1 PHE C 102 43.962 -24.450 -24.207 1.00 17.13 C +ATOM 712 CD2 PHE C 102 45.070 -24.027 -22.123 1.00 23.57 C +ATOM 713 CE1 PHE C 102 44.739 -23.496 -24.808 1.00 15.61 C +ATOM 714 CE2 PHE C 102 45.855 -23.056 -22.720 1.00 22.21 C +ATOM 715 CZ PHE C 102 45.687 -22.785 -24.064 1.00 25.63 C +ATOM 716 N PRO C 103 42.244 -24.645 -19.318 1.00 18.36 N +ATOM 717 CA PRO C 103 41.856 -25.980 -18.879 1.00 13.19 C +ATOM 718 C PRO C 103 40.396 -26.147 -19.127 1.00 14.96 C +ATOM 719 O PRO C 103 39.726 -25.167 -19.437 1.00 17.69 O +ATOM 720 CB PRO C 103 42.097 -25.944 -17.377 1.00 14.09 C +ATOM 721 CG PRO C 103 42.991 -24.758 -17.152 1.00 22.77 C +ATOM 722 CD PRO C 103 42.613 -23.784 -18.188 1.00 18.92 C +ATOM 723 N ASP C 104 39.884 -27.353 -18.988 1.00 17.66 N +ATOM 724 CA ASP C 104 38.461 -27.557 -19.244 1.00 19.16 C +ATOM 725 C ASP C 104 37.687 -26.644 -18.329 1.00 21.76 C +ATOM 726 O ASP C 104 38.173 -26.249 -17.273 1.00 22.37 O +ATOM 727 CB ASP C 104 38.030 -29.005 -19.036 1.00 17.75 C +ATOM 728 CG ASP C 104 38.358 -29.490 -17.699 1.00 23.30 C +ATOM 729 OD1 ASP C 104 39.542 -29.804 -17.480 1.00 28.46 O +ATOM 730 OD2 ASP C 104 37.450 -29.516 -16.863 1.00 25.74 O +ATOM 731 N PHE C 105 36.478 -26.302 -18.768 1.00 23.60 N +ATOM 732 CA PHE C 105 35.600 -25.374 -18.085 1.00 24.60 C +ATOM 733 C PHE C 105 35.430 -25.678 -16.591 1.00 26.36 C +ATOM 734 O PHE C 105 35.573 -24.788 -15.763 1.00 30.54 O +ATOM 735 CB PHE C 105 34.210 -25.363 -18.779 1.00 29.35 C +ATOM 736 CG PHE C 105 33.175 -24.582 -18.029 1.00 22.91 C +ATOM 737 CD1 PHE C 105 33.063 -23.230 -18.212 1.00 33.83 C +ATOM 738 CD2 PHE C 105 32.378 -25.183 -17.094 1.00 25.74 C +ATOM 739 CE1 PHE C 105 32.143 -22.517 -17.500 1.00 35.16 C +ATOM 740 CE2 PHE C 105 31.486 -24.456 -16.376 1.00 27.69 C +ATOM 741 CZ PHE C 105 31.378 -23.132 -16.576 1.00 29.37 C +ATOM 742 N VAL C 106 35.126 -26.915 -16.250 1.00 21.60 N +ATOM 743 CA VAL C 106 34.892 -27.279 -14.859 1.00 22.25 C +ATOM 744 C VAL C 106 36.116 -27.017 -14.009 1.00 24.97 C +ATOM 745 O VAL C 106 35.989 -26.491 -12.913 1.00 31.22 O +ATOM 746 CB VAL C 106 34.466 -28.743 -14.748 1.00 27.28 C +ATOM 747 CG1 VAL C 106 34.588 -29.253 -13.314 1.00 32.44 C +ATOM 748 CG2 VAL C 106 33.055 -28.911 -15.287 1.00 29.41 C +ATOM 749 N ASP C 107 37.298 -27.384 -14.503 1.00 23.35 N +ATOM 750 CA ASP C 107 38.550 -27.230 -13.744 1.00 21.58 C +ATOM 751 C ASP C 107 39.083 -25.768 -13.774 1.00 28.40 C +ATOM 752 O ASP C 107 39.646 -25.289 -12.788 1.00 29.60 O +ATOM 753 CB ASP C 107 39.643 -28.149 -14.312 1.00 20.72 C +ATOM 754 CG ASP C 107 39.407 -29.618 -13.996 1.00 31.36 C +ATOM 755 OD1 ASP C 107 39.297 -29.976 -12.814 1.00 37.36 O +ATOM 756 OD2 ASP C 107 39.338 -30.423 -14.930 1.00 32.83 O +ATOM 757 N ALA C 108 38.957 -25.096 -14.919 1.00 25.47 N +ATOM 758 CA ALA C 108 39.538 -23.757 -15.092 1.00 25.45 C +ATOM 759 C ALA C 108 38.823 -22.837 -14.193 1.00 27.54 C +ATOM 760 O ALA C 108 39.434 -21.942 -13.593 1.00 38.08 O +ATOM 761 CB ALA C 108 39.396 -23.252 -16.514 1.00 19.27 C +ATOM 762 N CYS C 109 37.525 -23.065 -14.079 1.00 29.07 N +ATOM 763 CA CYS C 109 36.659 -22.145 -13.399 1.00 29.80 C +ATOM 764 C CYS C 109 36.400 -22.523 -11.937 1.00 36.79 C +ATOM 765 O CYS C 109 35.895 -21.708 -11.171 1.00 42.52 O +ATOM 766 CB CYS C 109 35.353 -22.047 -14.188 1.00 29.35 C +ATOM 767 SG CYS C 109 35.616 -21.418 -15.900 1.00 32.10 S +ATOM 768 N GLY C 110 36.756 -23.743 -11.528 1.00 38.44 N +ATOM 769 CA GLY C 110 36.408 -24.221 -10.179 1.00 32.79 C +ATOM 770 C GLY C 110 34.896 -24.314 -9.996 1.00 33.90 C +ATOM 771 O GLY C 110 34.375 -23.965 -8.937 1.00 34.00 O +ATOM 772 N TYR C 111 34.199 -24.781 -11.035 1.00 30.03 N +ATOM 773 CA TYR C 111 32.741 -24.887 -11.017 1.00 31.97 C +ATOM 774 C TYR C 111 32.249 -26.127 -10.296 1.00 34.86 C +ATOM 775 O TYR C 111 32.760 -27.211 -10.519 1.00 37.17 O +ATOM 776 CB TYR C 111 32.193 -24.952 -12.455 1.00 31.82 C +ATOM 777 CG TYR C 111 30.690 -25.166 -12.520 1.00 31.91 C +ATOM 778 CD1 TYR C 111 29.820 -24.079 -12.537 1.00 38.55 C +ATOM 779 CD2 TYR C 111 30.138 -26.451 -12.508 1.00 39.97 C +ATOM 780 CE1 TYR C 111 28.428 -24.263 -12.567 1.00 32.22 C +ATOM 781 CE2 TYR C 111 28.760 -26.643 -12.548 1.00 41.10 C +ATOM 782 CZ TYR C 111 27.913 -25.543 -12.578 1.00 34.47 C +ATOM 783 OH TYR C 111 26.547 -25.745 -12.600 1.00 43.30 O +ATOM 784 N SER C 112 31.230 -25.963 -9.462 1.00 48.75 N +ATOM 785 CA SER C 112 30.331 -27.062 -9.105 1.00 57.27 C +ATOM 786 C SER C 112 29.000 -26.454 -8.674 1.00 66.80 C +ATOM 787 O SER C 112 28.923 -25.243 -8.452 1.00 68.27 O +ATOM 788 CB SER C 112 30.930 -27.952 -8.007 1.00 59.45 C +ATOM 789 OG SER C 112 31.518 -27.184 -6.978 1.00 55.53 O +ATOM 790 N ASP C 113 27.951 -27.272 -8.587 1.00 75.09 N +ATOM 791 CA ASP C 113 26.657 -26.803 -8.050 1.00 80.50 C +ATOM 792 C ASP C 113 26.561 -27.160 -6.553 1.00 82.25 C +ATOM 793 O ASP C 113 26.988 -28.250 -6.155 1.00 76.70 O +ATOM 794 CB ASP C 113 25.443 -27.321 -8.854 1.00 81.06 C +ATOM 795 CG ASP C 113 25.677 -28.689 -9.489 1.00 86.84 C +ATOM 796 OD1 ASP C 113 26.681 -28.847 -10.225 1.00 94.35 O +ATOM 797 OD2 ASP C 113 24.846 -29.599 -9.264 1.00 78.45 O +ATOM 798 N PRO C 114 26.019 -26.235 -5.720 1.00 87.84 N +ATOM 799 CA PRO C 114 26.109 -26.362 -4.259 1.00 88.86 C +ATOM 800 C PRO C 114 24.892 -27.025 -3.606 1.00 86.39 C +ATOM 801 O PRO C 114 24.116 -27.699 -4.281 1.00 83.12 O +ATOM 802 CB PRO C 114 26.233 -24.899 -3.797 1.00 89.67 C +ATOM 803 CG PRO C 114 25.642 -24.051 -4.954 1.00 91.37 C +ATOM 804 CD PRO C 114 25.286 -25.006 -6.082 1.00 89.15 C Added: SwiftApps/modFTdock/input/indata/2x7a-2.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2x7a-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2x7a-2.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,741 @@ +ATOM 1 N ALA C 89 31.330 66.575 85.569 1.00 40.94 N +ATOM 2 CA ALA C 89 30.178 67.440 85.321 1.00 46.87 C +ATOM 3 C ALA C 89 29.629 67.284 83.901 1.00 42.69 C +ATOM 4 O ALA C 89 28.419 67.306 83.696 1.00 41.73 O +ATOM 5 CB ALA C 89 30.513 68.886 85.595 1.00 52.39 C +ATOM 6 N THR C 90 30.496 67.156 82.894 1.00 62.87 N +ATOM 7 CA THR C 90 29.954 67.005 81.555 1.00 57.85 C +ATOM 8 C THR C 90 29.280 65.633 81.422 1.00 37.30 C +ATOM 9 O THR C 90 28.221 65.538 80.847 1.00 35.07 O +ATOM 10 CB THR C 90 30.930 67.427 80.401 1.00 52.58 C +ATOM 11 OG1 THR C 90 30.793 66.561 79.266 1.00 38.34 O +ATOM 12 CG2 THR C 90 32.320 67.384 80.834 1.00 61.99 C +ATOM 13 N CYS C 91 29.825 64.577 82.007 1.00 59.50 N +ATOM 14 CA CYS C 91 29.048 63.337 82.023 1.00 46.21 C +ATOM 15 C CYS C 91 27.588 63.533 82.539 1.00 44.23 C +ATOM 16 O CYS C 91 26.645 63.015 81.944 1.00 38.25 O +ATOM 17 CB CYS C 91 29.759 62.223 82.781 1.00 80.49 C +ATOM 18 SG CYS C 91 28.707 60.802 83.007 1.00 78.35 S +ATOM 19 N ASN C 92 27.414 64.276 83.634 1.00 47.38 N +ATOM 20 CA ASN C 92 26.090 64.616 84.166 1.00 50.56 C +ATOM 21 C ASN C 92 25.147 65.317 83.202 1.00 59.39 C +ATOM 22 O ASN C 92 23.982 64.943 83.102 1.00 55.53 O +ATOM 23 CB ASN C 92 26.240 65.465 85.425 1.00 54.18 C +ATOM 24 CG ASN C 92 26.566 64.629 86.647 1.00 45.75 C +ATOM 25 OD1 ASN C 92 25.891 63.641 86.928 1.00 40.25 O +ATOM 26 ND2 ASN C 92 27.599 65.013 87.376 1.00 51.96 N +ATOM 27 N HIS C 93 25.657 66.338 82.505 1.00 47.67 N +ATOM 28 CA HIS C 93 24.878 67.061 81.504 1.00 59.29 C +ATOM 29 C HIS C 93 24.503 66.078 80.402 1.00 40.81 C +ATOM 30 O HIS C 93 23.392 66.091 79.879 1.00 44.20 O +ATOM 31 CB HIS C 93 25.664 68.233 80.904 1.00 84.21 C +ATOM 32 CG HIS C 93 25.880 69.378 81.841 1.00113.98 C +ATOM 33 ND1 HIS C 93 24.896 70.291 82.145 1.00139.85 N +ATOM 34 CD2 HIS C 93 26.985 69.779 82.521 1.00125.84 C +ATOM 35 CE1 HIS C 93 25.374 71.193 82.984 1.00158.32 C +ATOM 36 NE2 HIS C 93 26.641 70.901 83.226 1.00155.35 N +ATOM 37 N THR C 94 25.425 65.206 80.049 1.00 65.58 N +ATOM 38 CA THR C 94 25.094 64.268 79.034 1.00 52.07 C +ATOM 39 C THR C 94 23.903 63.404 79.477 1.00 43.50 C +ATOM 40 O THR C 94 22.920 63.282 78.725 1.00 43.29 O +ATOM 41 CB THR C 94 26.266 63.396 78.680 1.00 51.98 C +ATOM 42 OG1 THR C 94 27.403 64.215 78.390 1.00 63.62 O +ATOM 43 CG2 THR C 94 25.928 62.587 77.461 1.00 44.56 C +ATOM 44 N VAL C 95 23.972 62.807 80.677 1.00 45.34 N +ATOM 45 CA VAL C 95 22.882 61.961 81.176 1.00 38.70 C +ATOM 46 C VAL C 95 21.558 62.695 81.152 1.00 51.11 C +ATOM 47 O VAL C 95 20.530 62.155 80.764 1.00 46.92 O +ATOM 48 CB VAL C 95 23.117 61.485 82.595 1.00 27.22 C +ATOM 49 CG1 VAL C 95 21.815 61.119 83.250 1.00 25.66 C +ATOM 50 CG2 VAL C 95 24.041 60.249 82.610 1.00 22.42 C +ATOM 59 N ALA C 97 20.767 65.177 79.106 1.00 44.68 N +ATOM 60 CA ALA C 97 20.374 65.382 77.733 1.00 48.82 C +ATOM 61 C ALA C 97 19.685 64.125 77.202 1.00 33.09 C +ATOM 62 O ALA C 97 18.542 64.178 76.732 1.00 41.94 O +ATOM 63 CB ALA C 97 21.564 65.721 76.916 1.00 38.46 C +ATOM 64 N LEU C 98 20.366 62.987 77.326 1.00 55.71 N +ATOM 65 CA LEU C 98 19.844 61.722 76.845 1.00 41.64 C +ATOM 66 C LEU C 98 18.493 61.349 77.460 1.00 43.87 C +ATOM 67 O LEU C 98 17.610 60.891 76.759 1.00 41.84 O +ATOM 68 CB LEU C 98 20.882 60.607 77.015 1.00 37.91 C +ATOM 69 CG LEU C 98 22.109 60.660 76.070 1.00 36.67 C +ATOM 70 CD1 LEU C 98 23.249 59.783 76.557 1.00 35.87 C +ATOM 71 CD2 LEU C 98 21.758 60.259 74.662 1.00 29.40 C +ATOM 80 N ALA C 100 16.295 63.371 78.362 1.00 41.03 N +ATOM 81 CA ALA C 100 15.398 64.309 77.723 1.00 63.20 C +ATOM 82 C ALA C 100 15.099 63.855 76.301 1.00 56.90 C +ATOM 83 O ALA C 100 13.952 63.834 75.874 1.00 64.20 O +ATOM 84 CB ALA C 100 16.019 65.673 77.724 1.00 59.44 C +ATOM 85 N SER C 101 16.130 63.479 75.565 1.00 67.15 N +ATOM 86 CA SER C 101 15.902 63.001 74.222 1.00 61.10 C +ATOM 87 C SER C 101 14.940 61.822 74.234 1.00 53.62 C +ATOM 88 O SER C 101 14.081 61.715 73.380 1.00 59.51 O +ATOM 89 CB SER C 101 17.211 62.590 73.569 1.00 66.86 C +ATOM 90 OG SER C 101 18.190 63.573 73.798 1.00 78.42 O +ATOM 91 N LEU C 102 15.093 60.932 75.201 1.00 59.26 N +ATOM 92 CA LEU C 102 14.350 59.687 75.217 1.00 51.51 C +ATOM 93 C LEU C 102 12.867 59.888 75.532 1.00 67.97 C +ATOM 94 O LEU C 102 12.039 59.111 75.090 1.00 66.40 O +ATOM 95 CB LEU C 102 14.998 58.752 76.214 1.00 42.65 C +ATOM 96 CG LEU C 102 14.407 57.365 76.292 1.00 37.90 C +ATOM 97 CD1 LEU C 102 14.284 56.793 74.913 1.00 41.19 C +ATOM 98 CD2 LEU C 102 15.309 56.510 77.104 1.00 29.39 C +ATOM 99 N ASP C 103 12.551 60.928 76.306 1.00 35.53 N +ATOM 100 CA ASP C 103 11.193 61.391 76.548 1.00 56.92 C +ATOM 101 C ASP C 103 10.628 61.940 75.257 1.00 64.24 C +ATOM 102 O ASP C 103 9.509 61.633 74.869 1.00 68.49 O +ATOM 103 CB ASP C 103 11.198 62.521 77.575 1.00 81.15 C +ATOM 104 CG ASP C 103 11.327 62.030 79.006 1.00 79.73 C +ATOM 105 OD1 ASP C 103 11.095 60.828 79.272 1.00 67.47 O +ATOM 106 OD2 ASP C 103 11.648 62.869 79.877 1.00 99.00 O +ATOM 107 N ALA C 104 11.414 62.778 74.598 1.00 62.75 N +ATOM 108 CA ALA C 104 11.018 63.343 73.321 1.00 66.35 C +ATOM 109 C ALA C 104 10.753 62.237 72.310 1.00 55.30 C +ATOM 110 O ALA C 104 9.738 62.234 71.639 1.00 60.33 O +ATOM 111 CB ALA C 104 12.080 64.306 72.811 1.00 55.81 C +ATOM 112 N GLU C 105 11.664 61.294 72.202 1.00 69.52 N +ATOM 113 CA GLU C 105 11.489 60.226 71.258 1.00 61.46 C +ATOM 114 C GLU C 105 10.235 59.498 71.619 1.00 64.20 C +ATOM 115 O GLU C 105 9.434 59.194 70.762 1.00 65.10 O +ATOM 116 CB GLU C 105 12.676 59.267 71.323 1.00 70.85 C +ATOM 117 CG GLU C 105 12.620 58.115 70.342 1.00 64.38 C +ATOM 118 CD GLU C 105 12.576 58.595 68.888 1.00 74.86 C +ATOM 119 OE1 GLU C 105 12.846 59.802 68.635 1.00 81.94 O +ATOM 120 OE2 GLU C 105 12.261 57.764 67.998 1.00 70.44 O +ATOM 121 N LYS C 106 10.053 59.233 72.904 1.00 81.92 N +ATOM 122 CA LYS C 106 8.925 58.433 73.351 1.00 85.08 C +ATOM 123 C LYS C 106 7.596 59.092 73.075 1.00 98.60 C +ATOM 124 O LYS C 106 6.658 58.433 72.655 1.00 96.38 O +ATOM 125 CB LYS C 106 9.047 58.100 74.827 1.00 86.45 C +ATOM 126 CG LYS C 106 9.579 56.709 75.065 1.00 69.57 C +ATOM 127 CD LYS C 106 9.714 56.427 76.540 1.00 68.65 C +ATOM 128 CE LYS C 106 11.138 56.015 76.897 1.00 60.41 C +ATOM 129 NZ LYS C 106 11.345 56.073 78.390 1.00 58.44 N +ATOM 130 N ALA C 107 7.509 60.389 73.321 1.00 61.63 N +ATOM 131 CA ALA C 107 6.304 61.133 72.988 1.00 70.90 C +ATOM 132 C ALA C 107 6.036 61.134 71.475 1.00 70.15 C +ATOM 133 O ALA C 107 4.954 60.730 71.030 1.00 73.30 O +ATOM 134 CB ALA C 107 6.402 62.528 73.496 1.00 42.21 C +ATOM 135 N GLN C 108 7.010 61.595 70.689 1.00 79.78 N +ATOM 136 CA GLN C 108 6.878 61.557 69.239 1.00 81.47 C +ATOM 137 C GLN C 108 6.264 60.229 68.833 1.00 73.70 C +ATOM 138 O GLN C 108 5.221 60.188 68.201 1.00 75.58 O +ATOM 139 CB GLN C 108 8.225 61.747 68.546 1.00121.54 C +ATOM 140 CG GLN C 108 8.174 61.520 67.040 1.00126.19 C +ATOM 141 CD GLN C 108 9.552 61.496 66.402 1.00132.25 C +ATOM 142 OE1 GLN C 108 10.527 61.985 66.977 1.00138.42 O +ATOM 143 NE2 GLN C 108 9.640 60.924 65.205 1.00126.64 N +ATOM 144 N GLY C 109 6.898 59.136 69.221 1.00 75.20 N +ATOM 145 CA GLY C 109 6.345 57.823 68.943 1.00 69.18 C +ATOM 146 C GLY C 109 4.976 57.612 69.576 1.00 70.93 C +ATOM 147 O GLY C 109 4.071 57.081 68.948 1.00 69.27 O +ATOM 148 N GLN C 110 4.820 58.015 70.830 1.00 85.88 N +ATOM 149 CA GLN C 110 3.562 57.796 71.523 1.00 91.11 C +ATOM 150 C GLN C 110 2.454 58.407 70.697 1.00 97.77 C +ATOM 151 O GLN C 110 1.398 57.806 70.534 1.00 97.46 O +ATOM 152 CB GLN C 110 3.591 58.416 72.917 1.00151.02 C +ATOM 153 CG GLN C 110 3.119 57.487 74.022 1.00163.76 C +ATOM 154 CD GLN C 110 3.858 57.723 75.330 1.00169.78 C +ATOM 155 OE1 GLN C 110 4.763 56.969 75.692 1.00165.64 O +ATOM 156 NE2 GLN C 110 3.482 58.779 76.040 1.00166.22 N +ATOM 157 N LYS C 111 2.714 59.592 70.150 1.00 92.72 N +ATOM 158 CA LYS C 111 1.697 60.326 69.396 1.00104.70 C +ATOM 159 C LYS C 111 1.388 59.712 68.026 1.00 98.95 C +ATOM 160 O LYS C 111 0.263 59.269 67.784 1.00 96.49 O +ATOM 161 CB LYS C 111 2.047 61.821 69.277 1.00104.92 C +ATOM 162 CG LYS C 111 2.752 62.242 67.990 1.00115.54 C +ATOM 163 CD LYS C 111 3.037 63.751 67.939 1.00131.97 C +ATOM 164 CE LYS C 111 1.781 64.578 67.667 1.00150.65 C +ATOM 165 NZ LYS C 111 2.087 66.031 67.523 1.00162.56 N +ATOM 166 N LYS C 112 2.380 59.668 67.141 1.00114.60 N +ATOM 167 CA LYS C 112 2.139 59.236 65.775 1.00110.43 C +ATOM 168 C LYS C 112 1.650 57.799 65.713 1.00100.49 C +ATOM 169 O LYS C 112 1.366 57.301 64.634 1.00101.86 O +ATOM 170 CB LYS C 112 3.380 59.429 64.898 1.00137.79 C +ATOM 171 CG LYS C 112 4.334 58.239 64.867 1.00130.92 C +ATOM 172 CD LYS C 112 5.754 58.667 64.453 1.00142.93 C +ATOM 173 CE LYS C 112 6.821 58.076 65.389 1.00136.39 C +ATOM 174 NZ LYS C 112 8.158 58.724 65.247 1.00139.35 N +ATOM 175 N VAL C 113 1.551 57.128 66.858 1.00 80.63 N +ATOM 176 CA VAL C 113 0.926 55.806 66.898 1.00 74.89 C +ATOM 177 C VAL C 113 -0.559 55.920 67.206 1.00 81.95 C +ATOM 178 O VAL C 113 -1.395 55.252 66.589 1.00 78.55 O +ATOM 179 CB VAL C 113 1.541 54.879 67.951 1.00 67.20 C +ATOM 180 CG1 VAL C 113 0.442 54.170 68.713 1.00 67.44 C +ATOM 181 CG2 VAL C 113 2.401 53.846 67.293 1.00 62.07 C +ATOM 182 N GLU C 114 -0.889 56.759 68.178 1.00 97.29 N +ATOM 183 CA GLU C 114 -2.279 56.970 68.506 1.00103.49 C +ATOM 184 C GLU C 114 -3.021 57.275 67.219 1.00107.04 C +ATOM 185 O GLU C 114 -3.967 56.573 66.867 1.00104.55 O +ATOM 186 CB GLU C 114 -2.432 58.075 69.547 1.00123.20 C +ATOM 187 CG GLU C 114 -1.916 57.639 70.911 1.00123.91 C +ATOM 188 CD GLU C 114 -2.154 58.663 72.001 1.00138.84 C +ATOM 189 OE1 GLU C 114 -2.914 59.625 71.758 1.00146.07 O +ATOM 190 OE2 GLU C 114 -1.582 58.500 73.103 1.00144.07 O +ATOM 191 N GLU C 115 -2.566 58.280 66.481 1.00 92.19 N +ATOM 192 CA GLU C 115 -3.219 58.578 65.216 1.00 97.72 C +ATOM 193 C GLU C 115 -3.304 57.351 64.294 1.00 87.05 C +ATOM 194 O GLU C 115 -4.399 56.972 63.877 1.00 86.91 O +ATOM 195 CB GLU C 115 -2.614 59.802 64.523 1.00109.75 C +ATOM 196 CG GLU C 115 -1.240 59.624 63.939 1.00119.50 C +ATOM 197 CD GLU C 115 -0.621 60.958 63.563 1.00130.41 C +ATOM 198 OE1 GLU C 115 -0.656 61.886 64.402 1.00131.42 O +ATOM 199 OE2 GLU C 115 -0.104 61.082 62.432 1.00140.83 O +ATOM 200 N LEU C 116 -2.186 56.706 63.989 1.00 99.51 N +ATOM 201 CA LEU C 116 -2.287 55.508 63.160 1.00 92.29 C +ATOM 202 C LEU C 116 -3.423 54.596 63.634 1.00 87.41 C +ATOM 203 O LEU C 116 -4.196 54.085 62.821 1.00 86.52 O +ATOM 204 CB LEU C 116 -0.972 54.733 63.092 1.00 71.27 C +ATOM 205 CG LEU C 116 0.081 55.250 62.111 1.00 76.18 C +ATOM 206 CD1 LEU C 116 0.611 54.119 61.249 1.00 89.00 C +ATOM 207 CD2 LEU C 116 -0.495 56.370 61.255 1.00 73.52 C +ATOM 208 N GLU C 117 -3.534 54.408 64.945 1.00 92.74 N +ATOM 209 CA GLU C 117 -4.614 53.595 65.504 1.00 90.90 C +ATOM 210 C GLU C 117 -5.991 54.275 65.407 1.00 95.80 C +ATOM 211 O GLU C 117 -7.016 53.598 65.255 1.00 93.68 O +ATOM 212 CB GLU C 117 -4.307 53.207 66.947 1.00105.16 C +ATOM 213 CG GLU C 117 -3.638 51.864 67.089 1.00103.63 C +ATOM 214 CD GLU C 117 -3.034 51.685 68.461 1.00107.69 C +ATOM 215 OE1 GLU C 117 -2.691 52.710 69.088 1.00106.72 O +ATOM 216 OE2 GLU C 117 -2.899 50.527 68.911 1.00113.41 O +ATOM 217 N GLY C 118 -6.007 55.603 65.499 1.00117.60 N +ATOM 218 CA GLY C 118 -7.224 56.368 65.295 1.00125.62 C +ATOM 219 C GLY C 118 -7.821 56.064 63.932 1.00127.69 C +ATOM 220 O GLY C 118 -9.028 55.819 63.801 1.00128.61 O +ATOM 221 N GLU C 119 -6.962 56.067 62.916 1.00106.88 N +ATOM 222 CA GLU C 119 -7.370 55.749 61.557 1.00110.25 C +ATOM 223 C GLU C 119 -7.693 54.272 61.399 1.00101.73 C +ATOM 224 O GLU C 119 -8.663 53.920 60.732 1.00103.17 O +ATOM 225 CB GLU C 119 -6.287 56.155 60.573 1.00114.29 C +ATOM 226 CG GLU C 119 -5.926 57.617 60.663 1.00127.72 C +ATOM 227 CD GLU C 119 -4.697 57.953 59.849 1.00134.37 C +ATOM 228 OE1 GLU C 119 -4.202 57.058 59.127 1.00126.44 O +ATOM 229 OE2 GLU C 119 -4.225 59.109 59.934 1.00147.85 O +ATOM 230 N ILE C 120 -6.891 53.405 62.005 1.00111.78 N +ATOM 231 CA ILE C 120 -7.184 51.979 61.942 1.00107.99 C +ATOM 232 C ILE C 120 -8.614 51.688 62.390 1.00110.93 C +ATOM 233 O ILE C 120 -9.292 50.851 61.796 1.00111.22 O +ATOM 234 CB ILE C 120 -6.234 51.147 62.803 1.00 96.91 C +ATOM 235 CG1 ILE C 120 -4.794 51.282 62.302 1.00 94.81 C +ATOM 236 CG2 ILE C 120 -6.668 49.686 62.809 1.00 96.02 C +ATOM 237 CD1 ILE C 120 -4.496 50.477 61.064 1.00 93.83 C +ATOM 238 N THR C 121 -9.076 52.370 63.436 1.00139.00 N +ATOM 239 CA THR C 121 -10.441 52.159 63.926 1.00142.92 C +ATOM 240 C THR C 121 -11.484 52.752 62.978 1.00147.74 C +ATOM 241 O THR C 121 -12.406 52.056 62.547 1.00147.69 O +ATOM 242 CB THR C 121 -10.646 52.727 65.344 1.00 97.75 C +ATOM 243 OG1 THR C 121 -9.860 51.976 66.277 1.00 95.87 O +ATOM 244 CG2 THR C 121 -12.119 52.635 65.747 1.00102.46 C +ATOM 245 N THR C 122 -11.332 54.038 62.666 1.00151.22 N +ATOM 246 CA THR C 122 -12.197 54.714 61.705 1.00160.06 C +ATOM 247 C THR C 122 -12.545 53.780 60.563 1.00159.07 C +ATOM 248 O THR C 122 -13.701 53.417 60.351 1.00161.23 O +ATOM 249 CB THR C 122 -11.499 55.942 61.087 1.00111.16 C +ATOM 250 OG1 THR C 122 -11.351 56.963 62.078 1.00115.64 O +ATOM 251 CG2 THR C 122 -12.313 56.494 59.930 1.00122.40 C +ATOM 252 N LEU C 123 -11.512 53.395 59.832 1.00155.60 N +ATOM 253 CA LEU C 123 -11.664 52.561 58.658 1.00156.50 C +ATOM 254 C LEU C 123 -12.238 51.191 59.019 1.00150.98 C +ATOM 255 O LEU C 123 -13.028 50.631 58.263 1.00153.40 O +ATOM 256 CB LEU C 123 -10.316 52.428 57.950 1.00131.88 C +ATOM 257 CG LEU C 123 -9.778 53.649 57.186 1.00141.87 C +ATOM 258 CD1 LEU C 123 -10.246 54.964 57.789 1.00149.63 C +ATOM 259 CD2 LEU C 123 -8.256 53.622 57.090 1.00136.86 C +ATOM 260 N ASN C 124 -11.859 50.668 60.181 1.00117.63 N +ATOM 261 CA ASN C 124 -12.313 49.347 60.622 1.00117.56 C +ATOM 262 C ASN C 124 -13.836 49.251 60.812 1.00122.19 C +ATOM 263 O ASN C 124 -14.450 48.221 60.515 1.00124.77 O +ATOM 264 CB ASN C 124 -11.588 48.940 61.908 1.00123.33 C +ATOM 265 CG ASN C 124 -11.790 47.475 62.260 1.00128.56 C +ATOM 266 OD1 ASN C 124 -12.538 46.759 61.595 1.00131.29 O +ATOM 267 ND2 ASN C 124 -11.118 47.024 63.316 1.00132.75 N +ATOM 268 N HIS C 125 -14.444 50.320 61.315 1.00144.58 N +ATOM 269 CA HIS C 125 -15.894 50.363 61.435 1.00149.02 C +ATOM 270 C HIS C 125 -16.514 50.408 60.047 1.00154.52 C +ATOM 271 O HIS C 125 -17.531 49.768 59.791 1.00159.91 O +ATOM 272 CB HIS C 125 -16.339 51.590 62.228 1.00141.79 C +ATOM 273 CG HIS C 125 -15.942 51.562 63.671 1.00138.29 C +ATOM 274 ND1 HIS C 125 -15.854 52.705 64.437 1.00131.91 N +ATOM 275 CD2 HIS C 125 -15.615 50.533 64.489 1.00142.20 C +ATOM 276 CE1 HIS C 125 -15.490 52.381 65.665 1.00133.24 C +ATOM 277 NE2 HIS C 125 -15.338 51.070 65.723 1.00138.76 N +ATOM 278 N LYS C 126 -15.890 51.175 59.156 1.00120.40 N +ATOM 279 CA LYS C 126 -16.373 51.318 57.787 1.00127.74 C +ATOM 280 C LYS C 126 -16.619 49.976 57.127 1.00127.22 C +ATOM 281 O LYS C 126 -17.593 49.807 56.402 1.00131.63 O +ATOM 282 CB LYS C 126 -15.384 52.115 56.935 1.00 95.37 C +ATOM 283 CG LYS C 126 -15.654 53.609 56.912 1.00103.40 C +ATOM 284 CD LYS C 126 -14.692 54.333 55.973 1.00108.56 C +ATOM 285 CE LYS C 126 -14.865 55.839 56.075 1.00120.96 C +ATOM 286 NZ LYS C 126 -14.876 56.281 57.502 1.00114.80 N +ATOM 287 N LEU C 127 -15.730 49.023 57.378 1.00134.35 N +ATOM 288 CA LEU C 127 -15.810 47.723 56.717 1.00138.70 C +ATOM 289 C LEU C 127 -16.723 46.734 57.432 1.00141.62 C +ATOM 290 O LEU C 127 -17.129 45.725 56.855 1.00196.35 O +ATOM 291 CB LEU C 127 -14.421 47.120 56.536 1.00137.48 C +ATOM 292 CG LEU C 127 -13.484 48.041 55.768 1.00133.80 C +ATOM 293 CD1 LEU C 127 -12.468 47.205 55.024 1.00133.55 C +ATOM 294 CD2 LEU C 127 -14.271 48.910 54.811 1.00136.65 C +ATOM 295 N GLN C 128 -17.043 47.021 58.687 1.00196.08 N +ATOM 296 CA GLN C 128 -17.996 46.194 59.404 1.00199.40 C +ATOM 297 C GLN C 128 -19.409 46.561 58.954 1.00201.44 C +ATOM 298 O GLN C 128 -20.326 45.742 59.017 1.00269.11 O +ATOM 299 CB GLN C 128 -17.829 46.341 60.917 1.00197.15 C +ATOM 300 CG GLN C 128 -18.303 45.128 61.695 1.00200.64 C +ATOM 301 CD GLN C 128 -17.720 43.836 61.151 1.00204.82 C +ATOM 302 OE1 GLN C 128 -16.813 43.252 61.744 1.00205.73 O +ATOM 303 NE2 GLN C 128 -18.237 43.386 60.011 1.00207.87 N +ATOM 304 N ASP C 129 -19.568 47.794 58.476 1.00147.99 N +ATOM 305 CA ASP C 129 -20.844 48.243 57.925 1.00149.90 C +ATOM 306 C ASP C 129 -21.021 47.822 56.457 1.00153.46 C +ATOM 307 O ASP C 129 -22.138 47.562 56.007 1.00226.44 O +ATOM 308 CB ASP C 129 -21.064 49.762 58.143 1.00146.56 C +ATOM 309 CG ASP C 129 -20.379 50.647 57.086 1.00143.22 C +ATOM 310 OD1 ASP C 129 -20.065 51.812 57.416 1.00143.12 O +ATOM 311 OD2 ASP C 129 -20.173 50.213 55.931 1.00141.25 O +ATOM 312 N ALA C 130 -19.917 47.745 55.719 1.00120.12 N +ATOM 313 CA ALA C 130 -19.968 47.286 54.339 1.00125.44 C +ATOM 314 C ALA C 130 -20.374 45.818 54.302 1.00132.50 C +ATOM 315 O ALA C 130 -21.302 45.442 53.582 1.00138.83 O +ATOM 316 CB ALA C 130 -18.634 47.489 53.651 1.00123.84 C +ATOM 317 N SER C 131 -19.694 44.992 55.092 1.00161.30 N +ATOM 318 CA SER C 131 -20.004 43.563 55.160 1.00167.12 C +ATOM 319 C SER C 131 -21.495 43.294 55.400 1.00171.70 C +ATOM 320 O SER C 131 -22.044 42.308 54.907 1.00217.17 O +ATOM 321 CB SER C 131 -19.153 42.873 56.235 1.00166.26 C +ATOM 322 OG SER C 131 -19.362 43.451 57.513 1.00165.10 O +ATOM 323 N ALA C 132 -22.139 44.182 56.151 1.00137.20 N +ATOM 324 CA ALA C 132 -23.553 44.049 56.483 1.00141.52 C +ATOM 325 C ALA C 132 -24.455 44.199 55.262 1.00142.86 C +ATOM 326 O ALA C 132 -25.428 43.465 55.105 1.00220.30 O +ATOM 327 CB ALA C 132 -23.935 45.054 57.565 1.00139.42 C +ATOM 328 N GLU C 133 -24.125 45.160 54.404 1.00257.96 N +ATOM 329 CA GLU C 133 -24.864 45.374 53.159 1.00259.14 C +ATOM 330 C GLU C 133 -24.775 44.138 52.292 1.00263.75 C +ATOM 331 O GLU C 133 -25.770 43.705 51.720 1.00316.58 O +ATOM 332 CB GLU C 133 -24.331 46.577 52.383 1.00147.50 C +ATOM 333 CG GLU C 133 -24.398 47.869 53.161 1.00147.09 C +ATOM 334 CD GLU C 133 -24.775 49.068 52.315 1.00147.90 C +ATOM 335 OE1 GLU C 133 -24.171 49.254 51.240 1.00146.76 O +ATOM 336 OE2 GLU C 133 -25.699 49.802 52.726 1.00149.80 O +ATOM 337 N VAL C 134 -23.586 43.550 52.232 1.00259.35 N +ATOM 338 CA VAL C 134 -23.383 42.314 51.486 1.00264.13 C +ATOM 339 C VAL C 134 -24.312 41.214 51.981 1.00271.17 C +ATOM 340 O VAL C 134 -24.949 40.521 51.191 1.00345.71 O +ATOM 341 CB VAL C 134 -21.898 41.841 51.549 1.00149.34 C +ATOM 342 CG1 VAL C 134 -21.745 40.408 51.003 1.00149.87 C +ATOM 343 CG2 VAL C 134 -20.975 42.861 50.878 1.00147.02 C +ATOM 344 N GLU C 135 -24.373 41.067 53.297 1.00344.63 N +ATOM 345 CA GLU C 135 -25.226 40.086 53.948 1.00351.92 C +ATOM 346 C GLU C 135 -26.695 40.414 53.732 1.00356.46 C +ATOM 347 O GLU C 135 -27.529 39.521 53.515 1.00432.64 O +ATOM 348 CB GLU C 135 -24.887 40.043 55.434 1.00178.99 C +ATOM 349 CG GLU C 135 -23.474 39.553 55.686 1.00176.03 C +ATOM 350 CD GLU C 135 -23.023 39.631 57.139 1.00174.68 C +ATOM 351 OE1 GLU C 135 -23.909 39.581 58.014 1.00176.45 O +ATOM 352 OE2 GLU C 135 -21.793 39.761 57.387 1.00171.91 O +ATOM 353 N ARG C 136 -26.987 41.708 53.707 1.00236.73 N +ATOM 354 CA ARG C 136 -28.336 42.158 53.434 1.00240.68 C +ATOM 355 C ARG C 136 -28.395 42.901 52.112 1.00241.54 C +ATOM 356 O ARG C 136 -28.020 42.355 51.075 1.00296.12 O +ATOM 357 CB ARG C 136 -28.853 43.026 54.572 1.00133.73 C +ATOM 358 CG ARG C 136 -29.914 42.348 55.357 1.00136.27 C +ATOM 359 CD ARG C 136 -30.337 43.160 56.555 1.00136.61 C +ATOM 360 NE ARG C 136 -31.692 42.801 56.959 1.00139.87 N +ATOM 361 CZ ARG C 136 -32.097 42.764 58.221 1.00140.49 C +ATOM 362 NH1 ARG C 136 -31.226 43.043 59.187 1.00138.06 N +ATOM 363 NH2 ARG C 136 -33.357 42.447 58.513 1.00143.57 N +ATOM 365 N GLN D 87 36.731 58.147 87.625 1.00149.19 N +ATOM 366 CA GLN D 87 36.188 56.984 88.318 1.00156.43 C +ATOM 367 C GLN D 87 34.676 57.087 88.464 1.00145.48 C +ATOM 368 O GLN D 87 34.045 56.271 89.141 1.00139.57 O +ATOM 369 CB GLN D 87 36.833 56.818 89.699 1.00153.94 C +ATOM 370 CG GLN D 87 36.355 55.582 90.470 1.00159.65 C +ATOM 371 CD GLN D 87 36.601 54.280 89.717 1.00169.56 C +ATOM 372 OE1 GLN D 87 35.662 53.581 89.335 1.00169.73 O +ATOM 373 NE2 GLN D 87 37.870 53.951 89.501 1.00172.92 N +ATOM 374 N ALA D 88 34.097 58.099 87.830 1.00135.29 N +ATOM 375 CA ALA D 88 32.657 58.279 87.873 1.00120.35 C +ATOM 376 C ALA D 88 31.965 57.245 86.979 1.00122.73 C +ATOM 377 O ALA D 88 31.279 57.593 86.015 1.00112.87 O +ATOM 378 CB ALA D 88 32.305 59.685 87.455 1.00 57.71 C +ATOM 379 N ALA D 89 32.141 55.968 87.315 1.00 43.02 N +ATOM 380 CA ALA D 89 31.696 54.888 86.454 1.00 43.28 C +ATOM 381 C ALA D 89 30.186 54.666 86.447 1.00 37.47 C +ATOM 382 O ALA D 89 29.613 54.342 85.412 1.00 37.44 O +ATOM 383 CB ALA D 89 32.425 53.618 86.771 1.00 42.36 C +ATOM 384 N THR D 90 29.514 54.833 87.564 1.00 67.30 N +ATOM 385 CA THR D 90 28.087 54.678 87.468 1.00 47.15 C +ATOM 386 C THR D 90 27.581 55.626 86.401 1.00 44.63 C +ATOM 387 O THR D 90 26.660 55.307 85.665 1.00 42.77 O +ATOM 388 CB THR D 90 27.389 54.971 88.783 1.00 31.51 C +ATOM 389 OG1 THR D 90 27.814 54.018 89.746 1.00 28.34 O +ATOM 390 CG2 THR D 90 25.888 54.826 88.617 1.00 21.29 C +ATOM 391 N CYS D 91 28.185 56.802 86.307 1.00 61.68 N +ATOM 392 CA CYS D 91 27.689 57.772 85.357 1.00 49.20 C +ATOM 393 C CYS D 91 28.020 57.354 83.930 1.00 54.24 C +ATOM 394 O CYS D 91 27.219 57.484 83.028 1.00 47.22 O +ATOM 395 CB CYS D 91 28.227 59.159 85.649 1.00 69.35 C +ATOM 396 SG CYS D 91 27.407 60.388 84.606 1.00 54.19 S +ATOM 397 N ASN D 92 29.210 56.838 83.711 1.00 60.28 N +ATOM 398 CA ASN D 92 29.517 56.374 82.380 1.00 56.88 C +ATOM 399 C ASN D 92 28.618 55.217 81.998 1.00 55.91 C +ATOM 400 O ASN D 92 28.129 55.184 80.876 1.00 48.02 O +ATOM 401 CB ASN D 92 30.977 55.987 82.257 1.00 57.53 C +ATOM 402 CG ASN D 92 31.902 57.177 82.309 1.00 57.03 C +ATOM 403 OD1 ASN D 92 33.094 57.040 82.072 1.00 59.14 O +ATOM 404 ND2 ASN D 92 31.368 58.346 82.612 1.00 62.91 N +ATOM 405 N HIS D 93 28.370 54.281 82.917 1.00 42.27 N +ATOM 406 CA HIS D 93 27.499 53.167 82.588 1.00 42.90 C +ATOM 407 C HIS D 93 26.105 53.673 82.260 1.00 32.77 C +ATOM 408 O HIS D 93 25.421 53.151 81.361 1.00 28.80 O +ATOM 409 CB HIS D 93 27.414 52.142 83.716 1.00 58.41 C +ATOM 410 CG HIS D 93 28.604 51.242 83.809 1.00 74.10 C +ATOM 411 ND1 HIS D 93 29.432 51.225 84.908 1.00 89.48 N +ATOM 412 CD2 HIS D 93 29.101 50.332 82.943 1.00 82.77 C +ATOM 413 CE1 HIS D 93 30.395 50.336 84.717 1.00 94.25 C +ATOM 414 NE2 HIS D 93 30.215 49.786 83.535 1.00 91.54 N +ATOM 415 N THR D 94 25.647 54.675 82.996 1.00 60.26 N +ATOM 416 CA THR D 94 24.303 55.133 82.765 1.00 47.49 C +ATOM 417 C THR D 94 24.203 55.768 81.383 1.00 37.85 C +ATOM 418 O THR D 94 23.243 55.522 80.660 1.00 34.21 O +ATOM 419 CB THR D 94 23.864 56.099 83.842 1.00 35.61 C +ATOM 420 OG1 THR D 94 23.966 55.457 85.122 1.00 38.76 O +ATOM 421 CG2 THR D 94 22.433 56.491 83.640 1.00 19.61 C +ATOM 422 N VAL D 95 25.202 56.570 81.007 1.00 48.66 N +ATOM 423 CA VAL D 95 25.275 57.136 79.671 1.00 40.59 C +ATOM 424 C VAL D 95 25.224 56.060 78.603 1.00 43.89 C +ATOM 425 O VAL D 95 24.421 56.143 77.677 1.00 38.65 O +ATOM 426 CB VAL D 95 26.534 57.956 79.468 1.00 39.40 C +ATOM 427 CG1 VAL D 95 26.863 58.127 77.958 1.00 35.02 C +ATOM 428 CG2 VAL D 95 26.367 59.326 80.161 1.00 32.07 C +ATOM 437 N ALA D 97 24.025 53.186 78.845 1.00 42.76 N +ATOM 438 CA ALA D 97 22.758 52.477 78.929 1.00 43.46 C +ATOM 439 C ALA D 97 21.654 53.316 78.312 1.00 34.77 C +ATOM 440 O ALA D 97 20.817 52.788 77.586 1.00 35.62 O +ATOM 441 CB ALA D 97 22.447 52.132 80.351 1.00 35.93 C +ATOM 442 N LEU D 98 21.670 54.625 78.564 1.00 56.05 N +ATOM 443 CA LEU D 98 20.727 55.516 77.919 1.00 44.81 C +ATOM 444 C LEU D 98 20.874 55.534 76.397 1.00 41.22 C +ATOM 445 O LEU D 98 19.894 55.706 75.692 1.00 36.23 O +ATOM 446 CB LEU D 98 20.893 56.935 78.427 1.00 42.76 C +ATOM 447 CG LEU D 98 20.091 57.432 79.633 1.00 34.56 C +ATOM 448 CD1 LEU D 98 18.848 56.608 79.865 1.00 29.38 C +ATOM 449 CD2 LEU D 98 20.950 57.396 80.844 1.00 37.68 C +ATOM 458 N ALA D 100 21.829 53.008 74.448 1.00 39.39 N +ATOM 459 CA ALA D 100 21.194 51.802 73.944 1.00 42.39 C +ATOM 460 C ALA D 100 19.661 51.897 74.094 1.00 44.08 C +ATOM 461 O ALA D 100 18.917 51.491 73.189 1.00 41.27 O +ATOM 462 CB ALA D 100 21.728 50.598 74.644 1.00 50.08 C +ATOM 463 N SER D 101 19.202 52.442 75.228 1.00 54.61 N +ATOM 464 CA SER D 101 17.777 52.592 75.487 1.00 56.22 C +ATOM 465 C SER D 101 17.175 53.378 74.377 1.00 49.32 C +ATOM 466 O SER D 101 16.128 53.016 73.868 1.00 51.49 O +ATOM 467 CB SER D 101 17.517 53.356 76.777 1.00 53.32 C +ATOM 468 OG SER D 101 17.469 52.497 77.895 1.00 67.08 O +ATOM 469 N LEU D 102 17.838 54.470 74.020 1.00 73.29 N +ATOM 470 CA LEU D 102 17.375 55.378 72.987 1.00 65.52 C +ATOM 471 C LEU D 102 17.392 54.738 71.595 1.00 67.15 C +ATOM 472 O LEU D 102 16.571 55.054 70.755 1.00 62.59 O +ATOM 473 CB LEU D 102 18.240 56.629 73.013 1.00 55.56 C +ATOM 474 CG LEU D 102 17.777 57.759 72.114 1.00 43.03 C +ATOM 475 CD1 LEU D 102 16.327 57.971 72.354 1.00 36.20 C +ATOM 476 CD2 LEU D 102 18.532 59.044 72.421 1.00 34.79 C +ATOM 477 N ASP D 103 18.338 53.843 71.350 1.00 57.70 N +ATOM 478 CA ASP D 103 18.387 53.120 70.092 1.00 58.85 C +ATOM 479 C ASP D 103 17.266 52.084 70.009 1.00 62.13 C +ATOM 480 O ASP D 103 16.606 51.931 68.975 1.00 59.90 O +ATOM 481 CB ASP D 103 19.726 52.403 69.969 1.00 62.74 C +ATOM 482 CG ASP D 103 20.782 53.230 69.243 1.00 58.54 C +ATOM 483 OD1 ASP D 103 20.410 54.011 68.341 1.00 55.81 O +ATOM 484 OD2 ASP D 103 21.988 53.076 69.552 1.00 62.92 O +ATOM 485 N ALA D 104 17.089 51.351 71.106 1.00 46.42 N +ATOM 486 CA ALA D 104 16.055 50.337 71.231 1.00 49.16 C +ATOM 487 C ALA D 104 14.704 50.971 71.066 1.00 46.98 C +ATOM 488 O ALA D 104 13.889 50.507 70.281 1.00 47.36 O +ATOM 489 CB ALA D 104 16.142 49.680 72.569 1.00 51.80 C +ATOM 490 N GLU D 105 14.482 52.046 71.809 1.00 52.82 N +ATOM 491 CA GLU D 105 13.270 52.839 71.682 1.00 50.92 C +ATOM 492 C GLU D 105 12.981 53.174 70.236 1.00 47.47 C +ATOM 493 O GLU D 105 11.928 52.848 69.724 1.00 49.79 O +ATOM 494 CB GLU D 105 13.376 54.134 72.490 1.00 71.31 C +ATOM 495 CG GLU D 105 12.049 54.831 72.663 1.00 67.06 C +ATOM 496 CD GLU D 105 10.951 53.877 73.152 1.00 77.63 C +ATOM 497 OE1 GLU D 105 11.182 53.146 74.154 1.00 87.44 O +ATOM 498 OE2 GLU D 105 9.862 53.861 72.522 1.00 77.81 O +ATOM 499 N LYS D 106 13.926 53.818 69.574 1.00 70.59 N +ATOM 500 CA LYS D 106 13.768 54.215 68.184 1.00 68.56 C +ATOM 501 C LYS D 106 13.348 53.069 67.269 1.00 73.89 C +ATOM 502 O LYS D 106 12.457 53.237 66.445 1.00 72.67 O +ATOM 503 CB LYS D 106 15.070 54.816 67.688 1.00 75.39 C +ATOM 504 CG LYS D 106 14.878 55.986 66.786 1.00 71.47 C +ATOM 505 CD LYS D 106 15.988 56.986 67.006 1.00 65.26 C +ATOM 506 CE LYS D 106 15.849 57.705 68.320 1.00 63.08 C +ATOM 507 NZ LYS D 106 16.571 59.010 68.138 1.00 64.62 N +ATOM 508 N ALA D 107 13.992 51.915 67.418 1.00 62.81 N +ATOM 509 CA ALA D 107 13.712 50.745 66.589 1.00 67.92 C +ATOM 510 C ALA D 107 12.358 50.137 66.862 1.00 71.54 C +ATOM 511 O ALA D 107 11.595 49.906 65.934 1.00 73.35 O +ATOM 512 CB ALA D 107 14.778 49.683 66.771 1.00 37.22 C +ATOM 513 N GLN D 108 12.058 49.846 68.124 1.00 73.24 N +ATOM 514 CA GLN D 108 10.779 49.220 68.417 1.00 77.89 C +ATOM 515 C GLN D 108 9.671 50.201 68.060 1.00 75.49 C +ATOM 516 O GLN D 108 8.536 49.812 67.804 1.00 76.88 O +ATOM 517 CB GLN D 108 10.705 48.701 69.854 1.00 77.77 C +ATOM 518 CG GLN D 108 10.450 49.727 70.936 1.00 80.42 C +ATOM 519 CD GLN D 108 11.070 49.316 72.283 1.00 93.00 C +ATOM 520 OE1 GLN D 108 11.888 48.384 72.359 1.00 98.35 O +ATOM 521 NE2 GLN D 108 10.698 50.030 73.344 1.00 94.15 N +ATOM 522 N GLY D 109 10.042 51.472 67.977 1.00 74.95 N +ATOM 523 CA GLY D 109 9.146 52.516 67.525 1.00 73.77 C +ATOM 524 C GLY D 109 8.837 52.510 66.034 1.00 75.77 C +ATOM 525 O GLY D 109 7.688 52.718 65.656 1.00 75.19 O +ATOM 526 N GLN D 110 9.841 52.304 65.179 1.00 74.44 N +ATOM 527 CA GLN D 110 9.597 52.301 63.740 1.00 77.75 C +ATOM 528 C GLN D 110 8.934 50.991 63.380 1.00 80.61 C +ATOM 529 O GLN D 110 8.199 50.902 62.406 1.00 82.71 O +ATOM 530 CB GLN D 110 10.877 52.512 62.926 1.00132.89 C +ATOM 531 CG GLN D 110 11.782 51.298 62.794 1.00140.74 C +ATOM 532 CD GLN D 110 13.036 51.603 61.986 1.00142.15 C +ATOM 533 OE1 GLN D 110 12.964 52.220 60.925 1.00139.57 O +ATOM 534 NE2 GLN D 110 14.195 51.175 62.491 1.00140.77 N +ATOM 535 N LYS D 111 9.168 49.976 64.197 1.00 62.80 N +ATOM 536 CA LYS D 111 8.590 48.672 63.949 1.00 67.07 C +ATOM 537 C LYS D 111 7.097 48.730 64.155 1.00 67.91 C +ATOM 538 O LYS D 111 6.329 48.154 63.386 1.00 71.99 O +ATOM 539 CB LYS D 111 9.164 47.645 64.904 1.00 70.71 C +ATOM 540 CG LYS D 111 8.458 46.322 64.834 1.00 76.01 C +ATOM 541 CD LYS D 111 9.343 45.274 64.222 1.00 84.49 C +ATOM 542 CE LYS D 111 8.786 43.901 64.504 1.00 92.45 C +ATOM 543 NZ LYS D 111 9.730 42.834 64.091 1.00 98.34 N +ATOM 544 N LYS D 112 6.687 49.413 65.215 1.00 73.74 N +ATOM 545 CA LYS D 112 5.280 49.528 65.520 1.00 73.98 C +ATOM 546 C LYS D 112 4.605 50.302 64.413 1.00 73.34 C +ATOM 547 O LYS D 112 3.511 49.939 63.983 1.00 75.24 O +ATOM 548 CB LYS D 112 5.063 50.219 66.860 1.00 78.25 C +ATOM 549 CG LYS D 112 3.628 50.194 67.342 1.00 80.08 C +ATOM 550 CD LYS D 112 3.034 48.802 67.197 1.00 87.35 C +ATOM 551 CE LYS D 112 1.679 48.694 67.871 1.00 90.01 C +ATOM 552 NZ LYS D 112 1.015 47.410 67.523 1.00 98.05 N +ATOM 553 N VAL D 113 5.254 51.357 63.928 1.00 77.21 N +ATOM 554 CA VAL D 113 4.654 52.157 62.863 1.00 78.19 C +ATOM 555 C VAL D 113 4.536 51.426 61.529 1.00 84.35 C +ATOM 556 O VAL D 113 3.483 51.462 60.905 1.00 86.44 O +ATOM 557 CB VAL D 113 5.359 53.498 62.667 1.00 54.57 C +ATOM 558 CG1 VAL D 113 5.112 54.032 61.276 1.00 54.25 C +ATOM 559 CG2 VAL D 113 4.867 54.478 63.707 1.00 49.85 C +ATOM 560 N GLU D 114 5.598 50.763 61.086 1.00 91.54 N +ATOM 561 CA GLU D 114 5.515 50.013 59.838 1.00 97.66 C +ATOM 562 C GLU D 114 4.406 48.977 59.947 1.00100.30 C +ATOM 563 O GLU D 114 3.743 48.662 58.966 1.00103.87 O +ATOM 564 CB GLU D 114 6.838 49.331 59.502 1.00106.92 C +ATOM 565 CG GLU D 114 7.969 50.289 59.185 1.00107.39 C +ATOM 566 CD GLU D 114 9.238 49.557 58.802 1.00111.37 C +ATOM 567 OE1 GLU D 114 10.308 49.868 59.380 1.00112.38 O +ATOM 568 OE2 GLU D 114 9.153 48.659 57.930 1.00112.39 O +ATOM 569 N GLU D 115 4.206 48.460 61.152 1.00 88.07 N +ATOM 570 CA GLU D 115 3.178 47.466 61.397 1.00 91.79 C +ATOM 571 C GLU D 115 1.797 48.067 61.164 1.00 91.38 C +ATOM 572 O GLU D 115 0.963 47.492 60.455 1.00 94.35 O +ATOM 573 CB GLU D 115 3.285 46.955 62.831 1.00131.23 C +ATOM 574 CG GLU D 115 2.236 45.929 63.209 1.00137.25 C +ATOM 575 CD GLU D 115 2.741 44.506 63.084 1.00146.90 C +ATOM 576 OE1 GLU D 115 3.942 44.327 62.787 1.00147.45 O +ATOM 577 OE2 GLU D 115 1.939 43.567 63.289 1.00152.69 O +ATOM 578 N LEU D 116 1.560 49.230 61.760 1.00102.58 N +ATOM 579 CA LEU D 116 0.265 49.888 61.666 1.00101.90 C +ATOM 580 C LEU D 116 -0.064 50.286 60.237 1.00105.79 C +ATOM 581 O LEU D 116 -1.200 50.148 59.790 1.00108.06 O +ATOM 582 CB LEU D 116 0.197 51.093 62.607 1.00 72.13 C +ATOM 583 CG LEU D 116 0.085 50.681 64.082 1.00 70.40 C +ATOM 584 CD1 LEU D 116 -0.147 51.873 64.980 1.00 65.39 C +ATOM 585 CD2 LEU D 116 -1.011 49.648 64.287 1.00 72.45 C +ATOM 586 N GLU D 117 0.933 50.769 59.513 1.00103.77 N +ATOM 587 CA GLU D 117 0.752 51.072 58.103 1.00110.00 C +ATOM 588 C GLU D 117 0.671 49.773 57.313 1.00115.64 C +ATOM 589 O GLU D 117 0.623 49.789 56.086 1.00121.08 O +ATOM 590 CB GLU D 117 1.895 51.949 57.593 1.00112.78 C +ATOM 591 CG GLU D 117 2.016 53.273 58.333 1.00108.73 C +ATOM 592 CD GLU D 117 3.272 54.053 57.971 1.00108.74 C +ATOM 593 OE1 GLU D 117 4.207 53.452 57.385 1.00112.63 O +ATOM 594 OE2 GLU D 117 3.319 55.269 58.284 1.00 96.50 O +ATOM 595 N GLY D 118 0.644 48.650 58.028 1.00 82.95 N +ATOM 596 CA GLY D 118 0.452 47.344 57.421 1.00 89.59 C +ATOM 597 C GLY D 118 -1.029 46.998 57.429 1.00 91.15 C +ATOM 598 O GLY D 118 -1.584 46.509 56.439 1.00 96.22 O +ATOM 599 N GLU D 119 -1.672 47.273 58.558 1.00127.19 N +ATOM 600 CA GLU D 119 -3.110 47.105 58.693 1.00127.98 C +ATOM 601 C GLU D 119 -3.867 48.103 57.816 1.00129.08 C +ATOM 602 O GLU D 119 -4.688 47.702 56.994 1.00133.55 O +ATOM 603 CB GLU D 119 -3.526 47.257 60.154 1.00137.97 C +ATOM 604 CG GLU D 119 -2.861 46.265 61.091 1.00141.36 C +ATOM 605 CD GLU D 119 -3.149 46.560 62.552 1.00140.54 C +ATOM 606 OE1 GLU D 119 -3.917 47.509 62.831 1.00137.47 O +ATOM 607 OE2 GLU D 119 -2.605 45.845 63.422 1.00143.33 O +ATOM 608 N ILE D 120 -3.598 49.398 57.993 1.00 93.25 N +ATOM 609 CA ILE D 120 -4.179 50.432 57.122 1.00 96.25 C +ATOM 610 C ILE D 120 -4.185 50.034 55.632 1.00105.21 C +ATOM 611 O ILE D 120 -5.220 49.649 55.092 1.00108.68 O +ATOM 612 CB ILE D 120 -3.477 51.804 57.296 1.00 86.12 C +ATOM 613 CG1 ILE D 120 -3.983 52.508 58.558 1.00 79.99 C +ATOM 614 CG2 ILE D 120 -3.714 52.693 56.078 1.00 91.97 C +ATOM 615 CD1 ILE D 120 -3.588 53.975 58.646 1.00 78.82 C +ATOM 616 N THR D 121 -3.032 50.130 54.973 1.00 77.57 N +ATOM 617 CA THR D 121 -2.897 49.698 53.582 1.00 87.47 C +ATOM 618 C THR D 121 -3.655 48.400 53.308 1.00 92.06 C +ATOM 619 O THR D 121 -4.183 48.211 52.219 1.00 99.73 O +ATOM 620 CB THR D 121 -1.410 49.545 53.168 1.00 88.46 C +ATOM 621 OG1 THR D 121 -0.896 50.817 52.748 1.00 90.62 O +ATOM 622 CG2 THR D 121 -1.270 48.550 52.028 1.00 95.51 C +ATOM 623 N THR D 122 -3.713 47.514 54.298 1.00106.85 N +ATOM 624 CA THR D 122 -4.459 46.266 54.161 1.00111.45 C +ATOM 625 C THR D 122 -5.961 46.496 54.183 1.00112.10 C +ATOM 626 O THR D 122 -6.713 45.808 53.501 1.00119.14 O +ATOM 627 CB THR D 122 -4.121 45.269 55.277 1.00109.15 C +ATOM 628 OG1 THR D 122 -3.158 44.329 54.794 1.00113.72 O +ATOM 629 CG2 THR D 122 -5.369 44.511 55.714 1.00112.21 C +ATOM 630 N LEU D 123 -6.408 47.455 54.978 1.00135.13 N +ATOM 631 CA LEU D 123 -7.832 47.717 55.058 1.00135.38 C +ATOM 632 C LEU D 123 -8.323 48.613 53.918 1.00142.11 C +ATOM 633 O LEU D 123 -9.458 48.471 53.476 1.00146.27 O +ATOM 634 CB LEU D 123 -8.219 48.274 56.433 1.00103.37 C +ATOM 635 CG LEU D 123 -7.966 49.752 56.746 1.00100.78 C +ATOM 636 CD1 LEU D 123 -8.814 50.665 55.857 1.00101.61 C +ATOM 637 CD2 LEU D 123 -8.230 50.028 58.222 1.00 97.31 C +ATOM 638 N ASN D 124 -7.484 49.533 53.443 1.00 95.15 N +ATOM 639 CA ASN D 124 -7.882 50.396 52.329 1.00104.25 C +ATOM 640 C ASN D 124 -8.195 49.593 51.077 1.00114.66 C +ATOM 641 O ASN D 124 -9.217 49.810 50.425 1.00120.46 O +ATOM 642 CB ASN D 124 -6.814 51.439 52.018 1.00120.26 C +ATOM 643 CG ASN D 124 -6.848 52.603 52.978 1.00113.75 C +ATOM 644 OD1 ASN D 124 -7.206 52.447 54.145 1.00106.31 O +ATOM 645 ND2 ASN D 124 -6.481 53.781 52.494 1.00114.99 N +ATOM 646 N HIS D 125 -7.310 48.657 50.750 1.00136.80 N +ATOM 647 CA HIS D 125 -7.570 47.733 49.658 1.00146.40 C +ATOM 648 C HIS D 125 -8.764 46.860 50.013 1.00144.25 C +ATOM 649 O HIS D 125 -9.581 46.563 49.162 1.00149.98 O +ATOM 650 CB HIS D 125 -6.346 46.870 49.347 1.00152.81 C +ATOM 651 CG HIS D 125 -5.141 47.655 48.931 1.00157.10 C +ATOM 652 ND1 HIS D 125 -3.854 47.195 49.105 1.00154.98 N +ATOM 653 CD2 HIS D 125 -5.028 48.880 48.359 1.00164.37 C +ATOM 654 CE1 HIS D 125 -2.999 48.095 48.653 1.00159.47 C +ATOM 655 NE2 HIS D 125 -3.687 49.128 48.196 1.00165.65 N +ATOM 656 N LYS D 126 -8.871 46.472 51.279 1.00114.23 N +ATOM 657 CA LYS D 126 -9.968 45.632 51.750 1.00112.52 C +ATOM 658 C LYS D 126 -11.295 46.388 51.760 1.00111.74 C +ATOM 659 O LYS D 126 -12.363 45.796 51.567 1.00113.71 O +ATOM 660 CB LYS D 126 -9.665 45.116 53.158 1.00129.61 C +ATOM 661 CG LYS D 126 -10.574 43.998 53.629 1.00131.95 C +ATOM 662 CD LYS D 126 -10.012 42.635 53.254 1.00133.99 C +ATOM 663 CE LYS D 126 -8.809 42.259 54.114 1.00134.51 C +ATOM 664 NZ LYS D 126 -9.189 41.915 55.513 1.00131.40 N +ATOM 665 N LEU D 127 -11.228 47.694 52.003 1.00149.56 N +ATOM 666 CA LEU D 127 -12.419 48.537 51.974 1.00150.99 C +ATOM 667 C LEU D 127 -12.823 48.824 50.543 1.00162.81 C +ATOM 668 O LEU D 127 -13.951 48.564 50.146 1.00166.37 O +ATOM 669 CB LEU D 127 -12.178 49.858 52.704 1.00115.41 C +ATOM 670 CG LEU D 127 -12.825 51.091 52.069 1.00118.26 C +ATOM 671 CD1 LEU D 127 -13.532 51.939 53.112 1.00109.96 C +ATOM 672 CD2 LEU D 127 -11.792 51.909 51.289 1.00125.66 C +ATOM 673 N GLN D 128 -11.893 49.364 49.763 1.00131.76 N +ATOM 674 CA GLN D 128 -12.157 49.635 48.354 1.00145.28 C +ATOM 675 C GLN D 128 -12.446 48.331 47.607 1.00152.17 C +ATOM 676 O GLN D 128 -13.297 48.292 46.727 1.00161.65 O +ATOM 677 CB GLN D 128 -11.002 50.423 47.725 1.00174.81 C +ATOM 678 CG GLN D 128 -10.217 49.701 46.644 1.00183.57 C +ATOM 679 CD GLN D 128 -9.042 50.525 46.143 1.00189.39 C +ATOM 680 OE1 GLN D 128 -8.939 51.717 46.434 1.00189.11 O +ATOM 681 NE2 GLN D 128 -8.151 49.893 45.391 1.00194.25 N +ATOM 682 N ASP D 129 -11.744 47.262 47.973 1.00184.62 N +ATOM 683 CA ASP D 129 -12.076 45.931 47.476 1.00190.46 C +ATOM 684 C ASP D 129 -13.350 45.470 48.169 1.00188.72 C +ATOM 685 O ASP D 129 -13.620 45.855 49.304 1.00191.21 O +ATOM 686 CB ASP D 129 -10.916 44.947 47.713 1.00184.70 C +ATOM 687 CG ASP D 129 -11.382 43.535 48.041 1.00185.94 C +ATOM 688 OD1 ASP D 129 -10.930 42.592 47.357 1.00192.39 O +ATOM 689 OD2 ASP D 129 -12.172 43.359 48.994 1.00179.11 O +ATOM 690 N ALA D 130 -14.132 44.652 47.476 1.00195.26 N +ATOM 691 CA ALA D 130 -15.399 44.159 48.006 1.00193.19 C +ATOM 692 C ALA D 130 -16.386 45.291 48.264 1.00191.33 C +ATOM 693 O ALA D 130 -17.372 45.421 47.549 1.00328.41 O +ATOM 694 CB ALA D 130 -15.182 43.328 49.266 1.00144.20 C +ATOM 695 N SER D 131 -16.137 46.111 49.278 1.00128.20 N +ATOM 696 CA SER D 131 -17.070 47.199 49.565 1.00128.13 C +ATOM 697 C SER D 131 -17.387 48.018 48.328 1.00140.20 C +ATOM 698 O SER D 131 -18.545 48.141 47.945 1.00144.00 O +ATOM 699 CB SER D 131 -16.549 48.145 50.637 1.00 99.12 C +ATOM 700 OG SER D 131 -16.761 49.486 50.223 1.00105.69 O +ATOM 701 N ALA D 132 -16.368 48.593 47.704 1.00174.43 N +ATOM 702 CA ALA D 132 -16.617 49.363 46.497 1.00187.27 C +ATOM 703 C ALA D 132 -17.223 48.467 45.420 1.00197.57 C +ATOM 704 O ALA D 132 -18.083 48.902 44.654 1.00206.77 O +ATOM 705 CB ALA D 132 -15.346 50.008 46.003 1.00166.66 C +ATOM 706 N GLU D 133 -16.788 47.210 45.382 1.00223.85 N +ATOM 707 CA GLU D 133 -17.207 46.299 44.319 1.00234.57 C +ATOM 708 C GLU D 133 -18.515 45.535 44.538 1.00232.72 C +ATOM 709 O GLU D 133 -19.334 45.461 43.627 1.00240.20 O +ATOM 710 CB GLU D 133 -16.080 45.346 43.919 1.00219.50 C +ATOM 711 CG GLU D 133 -15.475 45.695 42.568 1.00231.76 C +ATOM 712 CD GLU D 133 -16.533 45.868 41.482 1.00245.15 C +ATOM 713 OE1 GLU D 133 -17.641 45.305 41.619 1.00248.39 O +ATOM 714 OE2 GLU D 133 -16.254 46.564 40.483 1.00252.14 O +ATOM 715 N VAL D 134 -18.721 44.953 45.713 1.00176.99 N +ATOM 716 CA VAL D 134 -20.029 44.379 45.989 1.00175.73 C +ATOM 717 C VAL D 134 -21.041 45.511 45.941 1.00173.27 C +ATOM 718 O VAL D 134 -22.199 45.302 45.590 1.00173.34 O +ATOM 719 CB VAL D 134 -20.109 43.665 47.345 1.00165.40 C +ATOM 720 CG1 VAL D 134 -21.552 43.569 47.790 1.00160.75 C +ATOM 721 CG2 VAL D 134 -19.504 42.281 47.245 1.00164.04 C +ATOM 722 N GLU D 135 -20.587 46.718 46.274 1.00263.46 N +ATOM 723 CA GLU D 135 -21.428 47.911 46.187 1.00263.76 C +ATOM 724 C GLU D 135 -21.663 48.329 44.733 1.00279.20 C +ATOM 725 O GLU D 135 -22.751 48.786 44.381 1.00282.84 O +ATOM 726 CB GLU D 135 -20.824 49.062 46.997 1.00169.93 C +ATOM 727 CG GLU D 135 -21.615 50.360 46.967 1.00167.35 C +ATOM 728 CD GLU D 135 -21.241 51.235 45.789 1.00174.25 C +ATOM 729 OE1 GLU D 135 -20.307 50.858 45.048 1.00179.57 O +ATOM 730 OE2 GLU D 135 -21.873 52.297 45.607 1.00175.60 O +ATOM 731 N ARG D 136 -20.643 48.173 43.893 1.00208.80 N +ATOM 732 CA ARG D 136 -20.802 48.397 42.455 1.00215.54 C +ATOM 733 C ARG D 136 -21.743 47.343 41.873 1.00217.93 C +ATOM 734 O ARG D 136 -22.633 47.649 41.079 1.00545.34 O +ATOM 735 CB ARG D 136 -19.442 48.367 41.747 1.00219.94 C +ATOM 736 CG ARG D 136 -19.496 48.630 40.246 1.00222.56 C +ATOM 737 CD ARG D 136 -20.470 49.752 39.888 1.00222.68 C +ATOM 738 NE ARG D 136 -20.341 50.922 40.755 1.00224.83 N +ATOM 739 CZ ARG D 136 -21.318 51.392 41.525 1.00223.58 C +ATOM 740 NH1 ARG D 136 -22.503 50.797 41.536 1.00220.20 N +ATOM 741 NH2 ARG D 136 -21.112 52.460 42.282 1.00225.98 N +ATOM 742 N LEU D 137 -21.524 46.100 42.286 1.00177.12 N +ATOM 743 CA LEU D 137 -22.422 44.991 42.002 1.00178.49 C +ATOM 744 C LEU D 137 -23.837 45.296 42.493 1.00176.53 C +ATOM 745 O LEU D 137 -24.818 45.078 41.785 1.00396.08 O +ATOM 746 CB LEU D 137 -21.875 43.719 42.672 1.00175.22 C +ATOM 747 CG LEU D 137 -22.782 42.535 43.034 1.00174.95 C +ATOM 748 CD1 LEU D 137 -21.947 41.284 43.282 1.00175.32 C +ATOM 749 CD2 LEU D 137 -23.666 42.837 44.246 1.00169.47 C +ATOM 750 N ARG D 138 -23.928 45.820 43.708 1.00227.39 N +ATOM 751 CA ARG D 138 -25.204 45.991 44.389 1.00224.93 C +ATOM 752 C ARG D 138 -26.189 46.897 43.653 1.00228.99 C +ATOM 753 O ARG D 138 -27.367 46.564 43.531 1.00502.71 O +ATOM 754 CB ARG D 138 -24.973 46.491 45.790 1.00114.67 C +ATOM 755 N ARG D 139 -25.718 48.045 43.175 1.00212.81 N +ATOM 756 CA ARG D 139 -26.583 48.938 42.413 1.00217.02 C +ATOM 757 C ARG D 139 -26.948 48.275 41.086 1.00223.02 C +ATOM 758 O ARG D 139 -28.046 48.462 40.559 1.00516.34 O +ATOM 759 CB ARG D 139 -25.904 50.283 42.187 1.00108.61 C +ATOM 760 N GLU D 140 -26.017 47.478 40.570 1.00257.20 N +ATOM 761 CA GLU D 140 -26.208 46.751 39.321 1.00263.11 C +ATOM 762 C GLU D 140 -27.332 45.718 39.422 1.00263.31 C +ATOM 763 O GLU D 140 -28.315 45.788 38.685 1.00356.98 O +ATOM 764 CB GLU D 140 -24.895 46.082 38.892 1.00136.90 C +ATOM 765 N ASN D 141 -27.183 44.765 40.339 1.00236.33 N +ATOM 766 CA ASN D 141 -28.137 43.668 40.472 1.00236.10 C +ATOM 767 C ASN D 141 -28.854 43.683 41.813 1.00229.79 C +ATOM 768 O ASN D 141 -28.675 42.777 42.625 1.00327.88 O +ATOM 769 CB ASN D 141 -27.439 42.340 40.280 1.00115.92 C +ATOM 770 N GLN D 142 -29.666 44.711 42.031 1.00189.92 N +ATOM 771 CA GLN D 142 -30.446 44.858 43.259 1.00184.56 C +ATOM 772 C GLN D 142 -30.758 43.525 43.934 1.00181.24 C +ATOM 773 O GLN D 142 -31.140 43.486 45.104 1.00242.73 O +ATOM 774 CB GLN D 142 -31.731 45.610 42.967 1.00115.87 C Added: SwiftApps/modFTdock/input/indata/2x7a-4.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2x7a-4.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2x7a-4.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,789 @@ +ATOM 1 N ALA G 88 31.070 70.408 58.905 1.00133.39 N +ATOM 2 CA ALA G 88 32.251 69.609 58.587 1.00130.64 C +ATOM 3 C ALA G 88 31.902 68.134 58.517 1.00129.51 C +ATOM 4 O ALA G 88 32.519 67.305 59.183 1.00125.91 O +ATOM 5 CB ALA G 88 33.366 69.842 59.611 1.00 47.13 C +ATOM 6 N ALA G 89 30.909 67.815 57.702 1.00 50.94 N +ATOM 7 CA ALA G 89 30.435 66.445 57.566 1.00 53.34 C +ATOM 8 C ALA G 89 31.487 65.419 57.070 1.00 44.86 C +ATOM 9 O ALA G 89 31.466 64.273 57.496 1.00 42.94 O +ATOM 10 CB ALA G 89 29.180 66.403 56.713 1.00 55.37 C +ATOM 11 N THR G 90 32.409 65.784 56.189 1.00 53.08 N +ATOM 12 CA THR G 90 33.385 64.771 55.798 1.00 44.88 C +ATOM 13 C THR G 90 34.116 64.224 57.030 1.00 38.75 C +ATOM 14 O THR G 90 34.210 63.011 57.225 1.00 35.42 O +ATOM 15 CB THR G 90 34.370 65.258 54.694 1.00 44.13 C +ATOM 16 OG1 THR G 90 33.605 65.629 53.553 1.00 49.39 O +ATOM 17 CG2 THR G 90 35.305 64.137 54.254 1.00 37.65 C +ATOM 18 N CYS G 91 34.611 65.113 57.874 1.00 49.88 N +ATOM 19 CA CYS G 91 35.312 64.662 59.046 1.00 43.16 C +ATOM 20 C CYS G 91 34.423 63.757 59.925 1.00 38.32 C +ATOM 21 O CYS G 91 34.849 62.668 60.303 1.00 34.55 O +ATOM 22 CB CYS G 91 35.896 65.831 59.812 1.00 68.15 C +ATOM 23 SG CYS G 91 36.857 65.275 61.210 1.00 65.99 S +ATOM 24 N ASN G 92 33.185 64.166 60.223 1.00 33.28 N +ATOM 25 CA ASN G 92 32.236 63.327 60.972 1.00 36.00 C +ATOM 26 C ASN G 92 32.044 61.957 60.385 1.00 38.06 C +ATOM 27 O ASN G 92 32.033 60.963 61.126 1.00 36.13 O +ATOM 28 CB ASN G 92 30.876 64.005 61.116 1.00 55.99 C +ATOM 29 CG ASN G 92 30.908 65.155 62.087 1.00 55.46 C +ATOM 30 OD1 ASN G 92 31.459 65.054 63.190 1.00 58.02 O +ATOM 31 ND2 ASN G 92 30.329 66.268 61.684 1.00 58.20 N +ATOM 32 N HIS G 93 31.879 61.889 59.060 1.00 33.52 N +ATOM 33 CA HIS G 93 31.702 60.596 58.408 1.00 40.00 C +ATOM 34 C HIS G 93 33.002 59.801 58.585 1.00 27.69 C +ATOM 35 O HIS G 93 32.991 58.583 58.833 1.00 28.76 O +ATOM 36 CB HIS G 93 31.294 60.737 56.937 1.00 82.86 C +ATOM 37 CG HIS G 93 29.825 60.985 56.731 1.00110.41 C +ATOM 38 ND1 HIS G 93 29.311 62.233 56.453 1.00129.27 N +ATOM 39 CD2 HIS G 93 28.766 60.138 56.754 1.00123.05 C +ATOM 40 CE1 HIS G 93 27.996 62.148 56.320 1.00146.35 C +ATOM 41 NE2 HIS G 93 27.645 60.889 56.497 1.00145.20 N +ATOM 42 N THR G 94 34.125 60.490 58.516 1.00 45.77 N +ATOM 43 CA THR G 94 35.360 59.766 58.655 1.00 40.28 C +ATOM 44 C THR G 94 35.517 59.203 60.064 1.00 35.63 C +ATOM 45 O THR G 94 35.862 58.022 60.220 1.00 33.92 O +ATOM 46 CB THR G 94 36.587 60.620 58.311 1.00 29.82 C +ATOM 47 OG1 THR G 94 36.467 61.178 56.988 1.00 36.03 O +ATOM 48 CG2 THR G 94 37.810 59.757 58.410 1.00 27.44 C +ATOM 49 N VAL G 95 35.306 60.048 61.079 1.00 39.02 N +ATOM 50 CA VAL G 95 35.367 59.616 62.477 1.00 30.68 C +ATOM 51 C VAL G 95 34.486 58.389 62.678 1.00 35.17 C +ATOM 52 O VAL G 95 34.879 57.430 63.332 1.00 30.13 O +ATOM 53 CB VAL G 95 34.875 60.704 63.461 1.00 34.24 C +ATOM 54 CG1 VAL G 95 34.269 60.074 64.703 1.00 29.67 C +ATOM 55 CG2 VAL G 95 36.014 61.671 63.866 1.00 27.91 C +ATOM 64 N ALA G 97 33.610 56.175 60.577 1.00 45.54 N +ATOM 65 CA ALA G 97 34.006 55.024 59.789 1.00 48.90 C +ATOM 66 C ALA G 97 35.187 54.386 60.474 1.00 38.59 C +ATOM 67 O ALA G 97 35.253 53.149 60.607 1.00 46.35 O +ATOM 68 CB ALA G 97 34.367 55.439 58.415 1.00 27.70 C +ATOM 69 N LEU G 98 36.110 55.242 60.921 1.00 42.30 N +ATOM 70 CA LEU G 98 37.236 54.793 61.692 1.00 31.04 C +ATOM 71 C LEU G 98 36.761 54.042 62.949 1.00 30.84 C +ATOM 72 O LEU G 98 37.263 52.972 63.249 1.00 29.15 O +ATOM 73 CB LEU G 98 38.121 55.974 62.039 1.00 25.01 C +ATOM 74 CG LEU G 98 38.958 56.551 60.881 1.00 24.48 C +ATOM 75 CD1 LEU G 98 39.630 57.894 61.162 1.00 26.69 C +ATOM 76 CD2 LEU G 98 39.999 55.497 60.379 1.00 22.58 C +ATOM 85 N ALA G 100 34.219 52.192 63.374 1.00 29.96 N +ATOM 86 CA ALA G 100 33.726 50.875 62.987 1.00 44.70 C +ATOM 87 C ALA G 100 34.911 49.994 62.598 1.00 51.10 C +ATOM 88 O ALA G 100 35.000 48.832 62.987 1.00 54.96 O +ATOM 89 CB ALA G 100 32.746 51.009 61.844 1.00 43.68 C +ATOM 90 N SER G 101 35.824 50.574 61.828 1.00 55.29 N +ATOM 91 CA SER G 101 37.033 49.893 61.428 1.00 48.37 C +ATOM 92 C SER G 101 37.778 49.325 62.607 1.00 40.00 C +ATOM 93 O SER G 101 38.118 48.149 62.618 1.00 43.40 O +ATOM 94 CB SER G 101 37.946 50.844 60.682 1.00 42.17 C +ATOM 95 OG SER G 101 37.553 50.916 59.328 1.00 53.88 O +ATOM 96 N LEU G 102 38.043 50.157 63.598 1.00 53.64 N +ATOM 97 CA LEU G 102 38.715 49.712 64.805 1.00 41.44 C +ATOM 98 C LEU G 102 37.981 48.597 65.579 1.00 46.08 C +ATOM 99 O LEU G 102 38.628 47.756 66.165 1.00 43.63 O +ATOM 100 CB LEU G 102 38.992 50.905 65.697 1.00 37.48 C +ATOM 101 CG LEU G 102 39.881 50.652 66.905 1.00 26.44 C +ATOM 102 CD1 LEU G 102 41.291 50.107 66.580 1.00 23.92 C +ATOM 103 CD2 LEU G 102 40.010 51.926 67.576 1.00 19.74 C +ATOM 104 N ASP G 103 36.649 48.580 65.576 1.00 33.68 N +ATOM 105 CA ASP G 103 35.891 47.453 66.135 1.00 39.37 C +ATOM 106 C ASP G 103 36.162 46.176 65.349 1.00 53.01 C +ATOM 107 O ASP G 103 36.389 45.113 65.934 1.00 53.76 O +ATOM 108 CB ASP G 103 34.376 47.697 66.109 1.00 51.85 C +ATOM 109 CG ASP G 103 33.897 48.597 67.233 1.00 44.39 C +ATOM 110 OD1 ASP G 103 34.580 48.687 68.273 1.00 37.70 O +ATOM 111 OD2 ASP G 103 32.820 49.218 67.082 1.00 48.38 O +ATOM 112 N ALA G 104 36.106 46.285 64.020 1.00 40.25 N +ATOM 113 CA ALA G 104 36.299 45.144 63.152 1.00 46.91 C +ATOM 114 C ALA G 104 37.726 44.693 63.343 1.00 36.14 C +ATOM 115 O ALA G 104 38.010 43.489 63.435 1.00 36.22 O +ATOM 116 CB ALA G 104 36.047 45.516 61.733 1.00 37.59 C +ATOM 117 N GLU G 105 38.643 45.642 63.445 1.00 57.33 N +ATOM 118 CA GLU G 105 40.013 45.245 63.681 1.00 44.18 C +ATOM 119 C GLU G 105 40.158 44.434 64.962 1.00 41.89 C +ATOM 120 O GLU G 105 40.721 43.366 64.933 1.00 40.66 O +ATOM 121 CB GLU G 105 40.937 46.441 63.700 1.00 55.06 C +ATOM 122 CG GLU G 105 42.379 46.076 63.511 1.00 47.61 C +ATOM 123 CD GLU G 105 42.592 45.129 62.341 1.00 57.73 C +ATOM 124 OE1 GLU G 105 42.095 45.399 61.206 1.00 60.58 O +ATOM 125 OE2 GLU G 105 43.262 44.091 62.572 1.00 58.37 O +ATOM 126 N LYS G 106 39.628 44.922 66.079 1.00 53.54 N +ATOM 127 CA LYS G 106 39.791 44.223 67.344 1.00 50.82 C +ATOM 128 C LYS G 106 39.184 42.831 67.265 1.00 59.23 C +ATOM 129 O LYS G 106 39.789 41.837 67.686 1.00 56.07 O +ATOM 130 CB LYS G 106 39.184 45.021 68.494 1.00 56.93 C +ATOM 131 CG LYS G 106 39.937 46.333 68.790 1.00 46.36 C +ATOM 132 CD LYS G 106 39.823 46.757 70.246 1.00 46.12 C +ATOM 133 CE LYS G 106 38.392 47.120 70.593 1.00 54.16 C +ATOM 134 NZ LYS G 106 38.227 47.576 72.032 1.00 60.06 N +ATOM 135 N ALA G 107 37.986 42.760 66.700 1.00 37.08 N +ATOM 136 CA ALA G 107 37.275 41.505 66.567 1.00 42.49 C +ATOM 137 C ALA G 107 38.072 40.477 65.804 1.00 43.72 C +ATOM 138 O ALA G 107 38.184 39.352 66.270 1.00 43.92 O +ATOM 139 CB ALA G 107 35.935 41.718 65.909 1.00 35.47 C +ATOM 140 N GLN G 108 38.593 40.825 64.625 1.00 57.81 N +ATOM 141 CA GLN G 108 39.263 39.818 63.816 1.00 61.75 C +ATOM 142 C GLN G 108 40.564 39.512 64.520 1.00 52.48 C +ATOM 143 O GLN G 108 40.986 38.365 64.618 1.00 54.31 O +ATOM 144 CB GLN G 108 39.472 40.257 62.361 1.00 94.49 C +ATOM 145 CG GLN G 108 40.634 41.202 62.140 1.00 89.37 C +ATOM 146 CD GLN G 108 41.631 40.719 61.083 1.00 91.74 C +ATOM 147 OE1 GLN G 108 41.244 40.185 60.032 1.00 98.07 O +ATOM 148 NE2 GLN G 108 42.928 40.926 61.355 1.00 84.53 N +ATOM 149 N GLY G 109 41.169 40.545 65.074 1.00 55.44 N +ATOM 150 CA GLY G 109 42.366 40.383 65.850 1.00 45.46 C +ATOM 151 C GLY G 109 42.276 39.295 66.893 1.00 46.47 C +ATOM 152 O GLY G 109 43.171 38.475 66.968 1.00 45.13 O +ATOM 153 N GLN G 110 41.236 39.251 67.717 1.00 54.06 N +ATOM 154 CA GLN G 110 41.275 38.247 68.772 1.00 53.84 C +ATOM 155 C GLN G 110 40.777 36.860 68.340 1.00 57.82 C +ATOM 156 O GLN G 110 41.127 35.848 68.959 1.00 56.53 O +ATOM 157 CB GLN G 110 40.571 38.723 70.026 1.00 72.21 C +ATOM 158 CG GLN G 110 39.105 38.473 70.057 1.00 85.42 C +ATOM 159 CD GLN G 110 38.578 38.605 71.457 1.00104.03 C +ATOM 160 OE1 GLN G 110 38.722 37.691 72.271 1.00109.92 O +ATOM 161 NE2 GLN G 110 37.988 39.755 71.763 1.00108.65 N +ATOM 162 N LYS G 111 39.975 36.810 67.277 1.00 41.28 N +ATOM 163 CA LYS G 111 39.482 35.553 66.747 1.00 45.37 C +ATOM 164 C LYS G 111 40.696 34.805 66.236 1.00 41.43 C +ATOM 165 O LYS G 111 40.825 33.601 66.443 1.00 40.62 O +ATOM 166 CB LYS G 111 38.470 35.795 65.626 1.00 47.32 C +ATOM 167 CG LYS G 111 37.710 34.564 65.163 1.00 59.89 C +ATOM 168 CD LYS G 111 36.745 34.923 64.041 1.00 81.02 C +ATOM 169 CE LYS G 111 36.307 33.705 63.253 1.00 97.66 C +ATOM 170 NZ LYS G 111 35.872 34.098 61.881 1.00112.57 N +ATOM 171 N LYS G 112 41.609 35.539 65.605 1.00 55.36 N +ATOM 172 CA LYS G 112 42.842 34.940 65.102 1.00 53.33 C +ATOM 173 C LYS G 112 43.688 34.416 66.252 1.00 47.29 C +ATOM 174 O LYS G 112 44.138 33.273 66.222 1.00 49.25 O +ATOM 175 CB LYS G 112 43.657 35.943 64.264 1.00 56.10 C +ATOM 176 CG LYS G 112 44.823 35.310 63.480 1.00 57.96 C +ATOM 177 CD LYS G 112 44.343 34.160 62.609 1.00 74.94 C +ATOM 178 CE LYS G 112 45.273 33.868 61.438 1.00 80.35 C +ATOM 179 NZ LYS G 112 44.580 33.063 60.377 1.00 94.70 N +ATOM 180 N VAL G 113 43.903 35.251 67.261 1.00 57.33 N +ATOM 181 CA VAL G 113 44.698 34.848 68.406 1.00 53.91 C +ATOM 182 C VAL G 113 44.098 33.654 69.163 1.00 56.50 C +ATOM 183 O VAL G 113 44.836 32.845 69.711 1.00 54.82 O +ATOM 184 CB VAL G 113 44.963 36.032 69.365 1.00 49.11 C +ATOM 185 CG1 VAL G 113 45.408 35.534 70.719 1.00 45.57 C +ATOM 186 CG2 VAL G 113 46.034 36.944 68.779 1.00 43.20 C +ATOM 187 N GLU G 114 42.771 33.534 69.195 1.00 45.84 N +ATOM 188 CA GLU G 114 42.169 32.398 69.871 1.00 48.86 C +ATOM 189 C GLU G 114 42.430 31.130 69.080 1.00 51.10 C +ATOM 190 O GLU G 114 42.873 30.120 69.626 1.00 49.64 O +ATOM 191 CB GLU G 114 40.677 32.603 70.061 1.00 60.82 C +ATOM 192 CG GLU G 114 40.330 33.029 71.456 1.00 67.95 C +ATOM 193 CD GLU G 114 39.076 33.863 71.504 1.00 85.77 C +ATOM 194 OE1 GLU G 114 38.129 33.526 70.752 1.00 91.37 O +ATOM 195 OE2 GLU G 114 39.048 34.851 72.286 1.00 90.31 O +ATOM 196 N GLU G 115 42.143 31.181 67.788 1.00 50.96 N +ATOM 197 CA GLU G 115 42.404 30.048 66.939 1.00 54.55 C +ATOM 198 C GLU G 115 43.879 29.652 67.098 1.00 51.33 C +ATOM 199 O GLU G 115 44.205 28.472 67.241 1.00 52.42 O +ATOM 200 CB GLU G 115 42.045 30.369 65.486 1.00 76.45 C +ATOM 201 CG GLU G 115 40.549 30.635 65.261 1.00 86.96 C +ATOM 202 CD GLU G 115 40.223 31.083 63.837 1.00106.33 C +ATOM 203 OE1 GLU G 115 41.174 31.293 63.049 1.00109.41 O +ATOM 204 OE2 GLU G 115 39.020 31.228 63.511 1.00114.71 O +ATOM 205 N LEU G 116 44.772 30.631 67.109 1.00 60.43 N +ATOM 206 CA LEU G 116 46.191 30.307 67.186 1.00 58.61 C +ATOM 207 C LEU G 116 46.542 29.694 68.532 1.00 55.75 C +ATOM 208 O LEU G 116 47.303 28.739 68.594 1.00 57.25 O +ATOM 209 CB LEU G 116 47.073 31.528 66.870 1.00 55.58 C +ATOM 210 CG LEU G 116 47.763 31.524 65.491 1.00 61.87 C +ATOM 211 CD1 LEU G 116 47.123 30.585 64.495 1.00 63.97 C +ATOM 212 CD2 LEU G 116 47.812 32.916 64.898 1.00 55.39 C +ATOM 213 N GLU G 117 45.978 30.229 69.608 1.00 66.02 N +ATOM 214 CA GLU G 117 46.263 29.714 70.941 1.00 65.22 C +ATOM 215 C GLU G 117 45.740 28.290 71.086 1.00 66.82 C +ATOM 216 O GLU G 117 46.339 27.463 71.778 1.00 68.62 O +ATOM 217 CB GLU G 117 45.701 30.644 72.013 1.00 60.35 C +ATOM 218 CG GLU G 117 46.672 31.752 72.376 1.00 61.41 C +ATOM 219 CD GLU G 117 46.072 32.854 73.262 1.00 65.18 C +ATOM 220 OE1 GLU G 117 44.820 32.890 73.439 1.00 65.87 O +ATOM 221 OE2 GLU G 117 46.873 33.699 73.767 1.00 64.84 O +ATOM 222 N GLY G 118 44.631 28.013 70.408 1.00 52.42 N +ATOM 223 CA GLY G 118 44.107 26.667 70.302 1.00 55.92 C +ATOM 224 C GLY G 118 45.151 25.723 69.735 1.00 57.26 C +ATOM 225 O GLY G 118 45.522 24.739 70.380 1.00 56.81 O +ATOM 226 N GLU G 119 45.626 26.026 68.528 1.00 58.14 N +ATOM 227 CA GLU G 119 46.648 25.226 67.875 1.00 61.87 C +ATOM 228 C GLU G 119 47.803 24.968 68.814 1.00 60.55 C +ATOM 229 O GLU G 119 48.404 23.890 68.789 1.00 64.80 O +ATOM 230 CB GLU G 119 47.161 25.911 66.619 1.00 93.09 C +ATOM 231 CG GLU G 119 46.229 25.787 65.438 1.00104.09 C +ATOM 232 CD GLU G 119 46.781 26.452 64.187 1.00117.10 C +ATOM 233 OE1 GLU G 119 48.020 26.622 64.097 1.00118.02 O +ATOM 234 OE2 GLU G 119 45.976 26.803 63.294 1.00122.48 O +ATOM 235 N ILE G 120 48.119 25.942 69.652 1.00 53.53 N +ATOM 236 CA ILE G 120 49.223 25.750 70.571 1.00 54.46 C +ATOM 237 C ILE G 120 48.902 24.720 71.663 1.00 55.69 C +ATOM 238 O ILE G 120 49.713 23.830 71.949 1.00 59.81 O +ATOM 239 CB ILE G 120 49.712 27.076 71.130 1.00 56.32 C +ATOM 240 CG1 ILE G 120 50.481 27.804 70.021 1.00 58.56 C +ATOM 241 CG2 ILE G 120 50.611 26.854 72.311 1.00 55.45 C +ATOM 242 CD1 ILE G 120 50.967 29.188 70.394 1.00 51.20 C +ATOM 243 N THR G 121 47.714 24.811 72.248 1.00 58.86 N +ATOM 244 CA THR G 121 47.314 23.823 73.238 1.00 59.80 C +ATOM 245 C THR G 121 47.353 22.385 72.683 1.00 60.33 C +ATOM 246 O THR G 121 47.877 21.481 73.326 1.00 62.92 O +ATOM 247 CB THR G 121 45.936 24.150 73.835 1.00 60.86 C +ATOM 248 OG1 THR G 121 46.054 25.304 74.674 1.00 61.61 O +ATOM 249 CG2 THR G 121 45.432 22.985 74.663 1.00 62.03 C +ATOM 250 N THR G 122 46.814 22.182 71.486 1.00 57.61 N +ATOM 251 CA THR G 122 46.855 20.878 70.835 1.00 59.60 C +ATOM 252 C THR G 122 48.284 20.355 70.604 1.00 63.25 C +ATOM 253 O THR G 122 48.612 19.229 70.996 1.00 65.78 O +ATOM 254 CB THR G 122 46.118 20.913 69.502 1.00 63.42 C +ATOM 255 OG1 THR G 122 44.720 21.082 69.741 1.00 63.33 O +ATOM 256 CG2 THR G 122 46.331 19.622 68.761 1.00 66.80 C +ATOM 257 N LEU G 123 49.133 21.157 69.963 1.00 51.91 N +ATOM 258 CA LEU G 123 50.526 20.755 69.792 1.00 57.25 C +ATOM 259 C LEU G 123 51.117 20.380 71.138 1.00 59.74 C +ATOM 260 O LEU G 123 51.734 19.332 71.277 1.00 65.66 O +ATOM 261 CB LEU G 123 51.375 21.855 69.154 1.00 56.21 C +ATOM 262 CG LEU G 123 51.558 21.905 67.629 1.00 60.98 C +ATOM 263 CD1 LEU G 123 51.384 20.543 66.993 1.00 59.75 C +ATOM 264 CD2 LEU G 123 50.605 22.892 66.984 1.00 60.98 C +ATOM 265 N ASN G 124 50.921 21.219 72.148 1.00 51.13 N +ATOM 266 CA ASN G 124 51.474 20.882 73.456 1.00 56.40 C +ATOM 267 C ASN G 124 51.134 19.475 73.919 1.00 57.84 C +ATOM 268 O ASN G 124 52.022 18.716 74.334 1.00 62.27 O +ATOM 269 CB ASN G 124 51.089 21.901 74.506 1.00 60.69 C +ATOM 270 CG ASN G 124 51.993 23.090 74.483 1.00 64.35 C +ATOM 271 OD1 ASN G 124 53.176 22.984 74.141 1.00 71.87 O +ATOM 272 ND2 ASN G 124 51.450 24.244 74.842 1.00 62.77 N +ATOM 273 N HIS G 125 49.850 19.134 73.834 1.00 63.47 N +ATOM 274 CA HIS G 125 49.383 17.816 74.238 1.00 64.60 C +ATOM 275 C HIS G 125 50.066 16.690 73.449 1.00 68.23 C +ATOM 276 O HIS G 125 50.470 15.675 74.020 1.00 71.76 O +ATOM 277 CB HIS G 125 47.865 17.739 74.103 1.00 65.59 C +ATOM 278 CG HIS G 125 47.140 18.627 75.060 1.00 60.36 C +ATOM 279 ND1 HIS G 125 45.847 19.051 74.851 1.00 58.90 N +ATOM 280 CD2 HIS G 125 47.537 19.175 76.230 1.00 60.54 C +ATOM 281 CE1 HIS G 125 45.478 19.834 75.852 1.00 56.50 C +ATOM 282 NE2 HIS G 125 46.480 19.922 76.702 1.00 62.16 N +ATOM 283 N LYS G 126 50.202 16.887 72.141 1.00 74.61 N +ATOM 284 CA LYS G 126 50.769 15.877 71.269 1.00 79.83 C +ATOM 285 C LYS G 126 52.249 15.692 71.549 1.00 88.84 C +ATOM 286 O LYS G 126 52.765 14.569 71.525 1.00 93.67 O +ATOM 287 CB LYS G 126 50.552 16.254 69.808 1.00 65.79 C +ATOM 288 CG LYS G 126 49.100 16.167 69.337 1.00 61.29 C +ATOM 289 CD LYS G 126 48.995 16.730 67.926 1.00 64.92 C +ATOM 290 CE LYS G 126 47.602 16.601 67.336 1.00 68.66 C +ATOM 291 NZ LYS G 126 47.530 17.456 66.101 1.00 73.64 N +ATOM 292 N LEU G 127 52.933 16.795 71.815 1.00 58.98 N +ATOM 293 CA LEU G 127 54.347 16.735 72.167 1.00 70.61 C +ATOM 294 C LEU G 127 54.540 16.123 73.549 1.00 76.97 C +ATOM 295 O LEU G 127 55.461 15.344 73.774 1.00 86.02 O +ATOM 296 CB LEU G 127 54.966 18.119 72.123 1.00 55.35 C +ATOM 297 CG LEU G 127 56.469 18.131 72.325 1.00 64.37 C +ATOM 298 CD1 LEU G 127 57.119 17.413 71.172 1.00 68.47 C +ATOM 299 CD2 LEU G 127 56.962 19.552 72.372 1.00 60.63 C +ATOM 300 N GLN G 128 53.657 16.481 74.473 1.00 73.65 N +ATOM 301 CA GLN G 128 53.630 15.871 75.795 1.00 81.73 C +ATOM 302 C GLN G 128 53.602 14.344 75.684 1.00 84.46 C +ATOM 303 O GLN G 128 54.332 13.638 76.387 1.00 93.49 O +ATOM 304 CB GLN G 128 52.408 16.374 76.561 1.00138.95 C +ATOM 305 CG GLN G 128 52.262 15.843 77.973 1.00149.18 C +ATOM 306 CD GLN G 128 50.929 16.229 78.578 1.00149.03 C +ATOM 307 OE1 GLN G 128 50.382 17.293 78.271 1.00146.57 O +ATOM 308 NE2 GLN G 128 50.392 15.364 79.432 1.00152.31 N +ATOM 309 N ASP G 129 52.764 13.841 74.784 1.00102.25 N +ATOM 310 CA ASP G 129 52.601 12.401 74.598 1.00104.47 C +ATOM 311 C ASP G 129 53.796 11.734 73.911 1.00113.10 C +ATOM 312 O ASP G 129 54.345 10.764 74.416 1.00121.07 O +ATOM 313 CB ASP G 129 51.326 12.114 73.810 1.00 89.08 C +ATOM 314 CG ASP G 129 50.082 12.632 74.501 1.00 82.78 C +ATOM 315 OD1 ASP G 129 50.043 12.665 75.756 1.00 82.55 O +ATOM 316 OD2 ASP G 129 49.131 12.993 73.778 1.00 73.61 O +ATOM 317 N ALA G 130 54.185 12.243 72.751 1.00 83.28 N +ATOM 318 CA ALA G 130 55.360 11.733 72.065 1.00 93.39 C +ATOM 319 C ALA G 130 56.541 11.670 73.025 1.00105.61 C +ATOM 320 O ALA G 130 57.270 10.689 73.056 1.00113.41 O +ATOM 321 CB ALA G 130 55.693 12.609 70.857 1.00 62.99 C +ATOM 322 N SER G 131 56.724 12.721 73.813 1.00 83.91 N +ATOM 323 CA SER G 131 57.814 12.762 74.771 1.00 94.29 C +ATOM 324 C SER G 131 57.684 11.627 75.791 1.00 97.12 C +ATOM 325 O SER G 131 58.679 11.027 76.206 1.00102.84 O +ATOM 326 CB SER G 131 57.840 14.115 75.478 1.00197.47 C +ATOM 327 OG SER G 131 59.152 14.641 75.517 1.00198.71 O +ATOM 328 N ALA G 132 56.448 11.331 76.187 1.00114.97 N +ATOM 329 CA ALA G 132 56.167 10.264 77.149 1.00121.89 C +ATOM 330 C ALA G 132 56.349 8.860 76.560 1.00124.48 C +ATOM 331 O ALA G 132 57.040 8.023 77.132 1.00194.85 O +ATOM 332 CB ALA G 132 54.759 10.422 77.713 1.00103.19 C +ATOM 333 N GLU G 133 55.711 8.604 75.424 1.00178.23 N +ATOM 334 CA GLU G 133 55.841 7.315 74.759 1.00181.04 C +ATOM 335 C GLU G 133 57.308 6.945 74.576 1.00192.75 C +ATOM 336 O GLU G 133 57.676 5.782 74.690 1.00199.58 O +ATOM 337 CB GLU G 133 55.116 7.329 73.415 1.00120.53 C +ATOM 338 CG GLU G 133 55.406 6.130 72.530 1.00124.77 C +ATOM 339 CD GLU G 133 54.293 5.084 72.530 1.00120.56 C +ATOM 340 OE1 GLU G 133 53.366 5.180 73.364 1.00112.86 O +ATOM 341 OE2 GLU G 133 54.349 4.157 71.691 1.00125.33 O +ATOM 342 N VAL G 134 58.145 7.939 74.297 1.00110.64 N +ATOM 343 CA VAL G 134 59.583 7.712 74.160 1.00122.21 C +ATOM 344 C VAL G 134 60.190 7.111 75.415 1.00130.74 C +ATOM 345 O VAL G 134 60.872 6.088 75.353 1.00139.40 O +ATOM 346 CB VAL G 134 60.361 9.009 73.859 1.00 92.43 C +ATOM 347 CG1 VAL G 134 61.715 8.990 74.561 1.00 96.49 C +ATOM 348 CG2 VAL G 134 60.544 9.204 72.362 1.00 90.66 C +ATOM 349 N GLU G 135 59.959 7.758 76.552 1.00114.37 N +ATOM 350 CA GLU G 135 60.535 7.292 77.807 1.00125.41 C +ATOM 351 C GLU G 135 59.991 5.910 78.158 1.00134.09 C +ATOM 352 O GLU G 135 60.655 5.131 78.831 1.00145.26 O +ATOM 353 CB GLU G 135 60.248 8.281 78.936 1.00168.88 C +ATOM 354 CG GLU G 135 58.768 8.480 79.205 1.00179.17 C +ATOM 355 CD GLU G 135 58.495 9.230 80.489 1.00177.27 C +ATOM 356 OE1 GLU G 135 57.322 9.275 80.915 1.00174.38 O +ATOM 357 OE2 GLU G 135 59.453 9.770 81.077 1.00178.93 O +ATOM 358 N ARG G 136 58.780 5.617 77.689 1.00162.89 N +ATOM 359 CA ARG G 136 58.138 4.326 77.935 1.00164.55 C +ATOM 360 C ARG G 136 58.707 3.215 77.055 1.00168.79 C +ATOM 361 O ARG G 136 58.674 2.043 77.428 1.00172.08 O +ATOM 362 CB ARG G 136 56.623 4.430 77.742 1.00161.81 C +ATOM 363 CG ARG G 136 55.972 3.198 77.128 1.00154.61 C +ATOM 364 CD ARG G 136 54.454 3.301 77.190 1.00142.82 C +ATOM 365 NE ARG G 136 53.717 2.624 76.116 1.00134.26 N +ATOM 366 CZ ARG G 136 54.223 1.768 75.226 1.00132.41 C +ATOM 367 NH1 ARG G 136 55.504 1.430 75.243 1.00135.70 N +ATOM 368 NH2 ARG G 136 53.426 1.231 74.310 1.00125.60 N +ATOM 369 N LEU G 137 59.224 3.585 75.888 1.00175.49 N +ATOM 370 CA LEU G 137 59.878 2.621 75.012 1.00180.29 C +ATOM 371 C LEU G 137 61.345 2.439 75.368 1.00197.13 C +ATOM 372 O LEU G 137 61.898 1.353 75.203 1.00203.31 O +ATOM 373 CB LEU G 137 59.731 3.014 73.544 1.00137.24 C +ATOM 374 CG LEU G 137 58.343 2.714 72.974 1.00120.93 C +ATOM 375 CD1 LEU G 137 58.388 2.713 71.461 1.00112.82 C +ATOM 376 CD2 LEU G 137 57.797 1.396 73.505 1.00118.91 C +ATOM 377 N ARG G 138 61.977 3.499 75.856 1.00126.11 N +ATOM 378 CA ARG G 138 63.378 3.406 76.242 1.00141.71 C +ATOM 379 C ARG G 138 63.565 2.429 77.400 1.00152.76 C +ATOM 380 O ARG G 138 64.185 1.375 77.247 1.00156.53 O +ATOM 381 CB ARG G 138 63.937 4.783 76.603 1.00141.18 C +ATOM 382 CG ARG G 138 64.237 5.660 75.397 1.00145.17 C +ATOM 383 CD ARG G 138 64.752 7.043 75.791 1.00137.41 C +ATOM 384 NE ARG G 138 65.406 7.730 74.672 1.00135.59 N +ATOM 385 CZ ARG G 138 65.661 9.038 74.626 1.00131.56 C +ATOM 386 NH1 ARG G 138 65.309 9.832 75.633 1.00127.45 N +ATOM 387 NH2 ARG G 138 66.264 9.559 73.565 1.00129.46 N +ATOM 388 N ARG G 139 60.987 2.353 78.538 1.00315.70 N +ATOM 389 CA ARG G 139 61.406 1.319 79.475 1.00319.71 C +ATOM 390 C ARG G 139 61.197 -0.093 78.938 1.00323.14 C +ATOM 391 O ARG G 139 61.830 -1.038 79.395 1.00328.65 O +ATOM 392 CB ARG G 139 60.727 1.518 80.825 1.00154.06 C +ATOM 393 CG ARG G 139 61.358 2.628 81.625 1.00152.12 C +ATOM 394 CD ARG G 139 60.350 3.685 82.062 1.00149.75 C +ATOM 395 NE ARG G 139 60.967 5.004 82.066 1.00147.40 N +ATOM 396 CZ ARG G 139 60.360 6.121 82.455 1.00145.18 C +ATOM 397 NH1 ARG G 139 59.105 6.084 82.882 1.00144.97 N +ATOM 398 NH2 ARG G 139 61.015 7.279 82.422 1.00143.34 N +ATOM 399 N GLU G 140 60.305 -0.234 77.970 1.00281.51 N +ATOM 400 CA GLU G 140 60.230 -1.474 77.227 1.00284.31 C +ATOM 401 C GLU G 140 61.422 -1.567 76.313 1.00290.59 C +ATOM 402 O GLU G 140 61.336 -1.257 75.134 1.00291.69 O +ATOM 403 CB GLU G 140 58.951 -1.544 76.416 1.00178.24 C +ATOM 404 CG GLU G 140 57.757 -1.800 77.244 1.00178.69 C +ATOM 405 CD GLU G 140 56.525 -2.131 76.430 1.00179.68 C +ATOM 406 OE1 GLU G 140 56.678 -2.408 75.227 1.00180.61 O +ATOM 407 OE2 GLU G 140 55.419 -2.115 77.012 1.00179.70 O +ATOM 408 N ASN G 141 62.549 -1.968 76.881 1.00154.97 N +ATOM 409 CA ASN G 141 63.791 -2.105 76.124 1.00155.89 C +ATOM 410 C ASN G 141 64.967 -2.365 77.070 1.00156.89 C +ATOM 411 O ASN G 141 64.786 -2.513 78.285 1.00157.03 O +ATOM 412 CB ASN G 141 64.050 -0.864 75.222 1.00153.35 C +ATOM 414 N ALA H 89 40.628 71.954 65.245 1.00 51.90 N +ATOM 415 CA ALA H 89 39.252 71.652 65.584 1.00 56.56 C +ATOM 416 C ALA H 89 39.082 70.212 66.077 1.00 44.37 C +ATOM 417 O ALA H 89 39.865 69.303 65.774 1.00 51.67 O +ATOM 418 CB ALA H 89 38.345 71.905 64.425 1.00 27.27 C +ATOM 419 N THR H 90 38.028 70.016 66.839 1.00 82.53 N +ATOM 420 CA THR H 90 37.932 68.839 67.624 1.00 58.93 C +ATOM 421 C THR H 90 37.862 67.629 66.731 1.00 36.81 C +ATOM 422 O THR H 90 38.428 66.600 67.051 1.00 37.66 O +ATOM 423 CB THR H 90 36.744 68.958 68.566 1.00 30.89 C +ATOM 424 OG1 THR H 90 37.014 70.008 69.490 1.00 55.04 O +ATOM 425 CG2 THR H 90 36.450 67.586 69.361 1.00 15.85 C +ATOM 426 N CYS H 91 37.190 67.739 65.591 1.00 53.36 N +ATOM 427 CA CYS H 91 36.952 66.549 64.781 1.00 40.63 C +ATOM 428 C CYS H 91 38.233 66.026 64.155 1.00 57.05 C +ATOM 429 O CYS H 91 38.488 64.830 64.135 1.00 45.37 O +ATOM 430 CB CYS H 91 35.892 66.783 63.731 1.00 71.24 C +ATOM 431 SG CYS H 91 35.573 65.243 62.876 1.00 67.64 S +ATOM 432 N ASN H 92 39.034 66.950 63.645 1.00 19.16 N +ATOM 433 CA ASN H 92 40.375 66.692 63.132 1.00 27.20 C +ATOM 434 C ASN H 92 41.230 65.963 64.135 1.00 33.89 C +ATOM 435 O ASN H 92 41.777 64.900 63.820 1.00 30.15 O +ATOM 436 CB ASN H 92 41.034 68.019 62.756 1.00 54.80 C +ATOM 437 CG ASN H 92 40.575 68.551 61.415 1.00 60.62 C +ATOM 438 OD1 ASN H 92 39.629 68.058 60.822 1.00 56.10 O +ATOM 439 ND2 ASN H 92 41.266 69.562 60.925 1.00 59.36 N +ATOM 440 N HIS H 93 41.323 66.520 65.349 1.00 55.02 N +ATOM 441 CA HIS H 93 42.113 65.906 66.409 1.00 53.81 C +ATOM 442 C HIS H 93 41.661 64.520 66.663 1.00 38.08 C +ATOM 443 O HIS H 93 42.481 63.644 66.890 1.00 39.93 O +ATOM 444 CB HIS H 93 42.075 66.698 67.702 1.00 59.55 C +ATOM 445 CG HIS H 93 42.981 67.886 67.680 1.00 70.32 C +ATOM 446 ND1 HIS H 93 42.525 69.174 67.821 1.00 77.22 N +ATOM 447 CD2 HIS H 93 44.317 67.971 67.446 1.00 71.15 C +ATOM 448 CE1 HIS H 93 43.544 70.010 67.707 1.00 71.00 C +ATOM 449 NE2 HIS H 93 44.640 69.308 67.478 1.00 74.55 N +ATOM 450 N THR H 94 40.355 64.312 66.596 1.00 91.26 N +ATOM 451 CA THR H 94 39.801 63.020 66.892 1.00 53.67 C +ATOM 452 C THR H 94 40.126 61.978 65.832 1.00 47.24 C +ATOM 453 O THR H 94 40.471 60.843 66.138 1.00 49.03 O +ATOM 454 CB THR H 94 38.300 63.083 67.038 1.00 36.84 C +ATOM 455 OG1 THR H 94 37.934 63.983 68.083 1.00 44.21 O +ATOM 456 CG2 THR H 94 37.772 61.712 67.433 1.00 14.27 C +ATOM 457 N VAL H 95 39.978 62.351 64.570 1.00 28.41 N +ATOM 458 CA VAL H 95 40.412 61.522 63.423 1.00 32.20 C +ATOM 459 C VAL H 95 41.861 61.105 63.457 1.00 72.95 C +ATOM 460 O VAL H 95 42.189 59.979 63.130 1.00 68.20 O +ATOM 461 CB VAL H 95 40.193 62.250 62.099 1.00 40.12 C +ATOM 462 CG1 VAL H 95 41.022 61.613 61.011 1.00 62.27 C +ATOM 463 CG2 VAL H 95 38.743 62.191 61.737 1.00 14.03 C +ATOM 472 N ALA H 97 43.651 60.840 66.210 1.00 69.74 N +ATOM 473 CA ALA H 97 43.725 59.890 67.297 1.00 60.53 C +ATOM 474 C ALA H 97 43.290 58.489 66.846 1.00 38.09 C +ATOM 475 O ALA H 97 43.993 57.494 67.088 1.00 43.73 O +ATOM 476 CB ALA H 97 42.878 60.358 68.434 1.00 38.10 C +ATOM 477 N LEU H 98 42.141 58.405 66.186 1.00 62.48 N +ATOM 478 CA LEU H 98 41.675 57.130 65.693 1.00 34.68 C +ATOM 479 C LEU H 98 42.594 56.446 64.682 1.00 47.46 C +ATOM 480 O LEU H 98 42.745 55.238 64.720 1.00 41.92 O +ATOM 481 CB LEU H 98 40.313 57.283 65.089 1.00 36.72 C +ATOM 482 CG LEU H 98 39.248 57.636 66.127 1.00 25.54 C +ATOM 483 CD1 LEU H 98 38.125 58.293 65.411 1.00 21.56 C +ATOM 484 CD2 LEU H 98 38.729 56.458 66.845 1.00 16.29 C +ATOM 493 N ALA H 100 45.784 56.771 64.556 1.00 35.76 N +ATOM 494 CA ALA H 100 46.918 56.307 65.313 1.00 40.52 C +ATOM 495 C ALA H 100 46.515 55.054 66.128 1.00 40.76 C +ATOM 496 O ALA H 100 47.282 54.072 66.243 1.00 40.00 O +ATOM 497 CB ALA H 100 47.413 57.425 66.221 1.00 24.28 C +ATOM 498 N SER H 101 45.303 55.093 66.670 1.00 78.80 N +ATOM 499 CA SER H 101 44.854 54.045 67.559 1.00 60.28 C +ATOM 500 C SER H 101 44.640 52.728 66.818 1.00 45.68 C +ATOM 501 O SER H 101 44.957 51.635 67.334 1.00 48.10 O +ATOM 502 CB SER H 101 43.576 54.466 68.247 1.00 42.06 C +ATOM 503 OG SER H 101 43.667 54.212 69.626 1.00 52.28 O +ATOM 504 N LEU H 102 44.126 52.848 65.601 1.00 51.14 N +ATOM 505 CA LEU H 102 43.948 51.730 64.691 1.00 35.74 C +ATOM 506 C LEU H 102 45.271 51.165 64.175 1.00 70.71 C +ATOM 507 O LEU H 102 45.408 49.967 63.988 1.00 66.41 O +ATOM 508 CB LEU H 102 43.109 52.203 63.524 1.00 42.84 C +ATOM 509 CG LEU H 102 42.626 51.206 62.487 1.00 31.55 C +ATOM 510 CD1 LEU H 102 42.037 49.890 63.103 1.00 16.96 C +ATOM 511 CD2 LEU H 102 41.588 51.906 61.691 1.00 23.99 C +ATOM 512 N ASP H 103 46.240 52.034 63.922 1.00 45.53 N +ATOM 513 CA ASP H 103 47.574 51.588 63.538 1.00 49.82 C +ATOM 514 C ASP H 103 48.154 50.751 64.665 1.00 53.70 C +ATOM 515 O ASP H 103 48.709 49.698 64.433 1.00 53.46 O +ATOM 516 CB ASP H 103 48.485 52.785 63.244 1.00 59.05 C +ATOM 517 CG ASP H 103 48.363 53.281 61.819 1.00 60.37 C +ATOM 518 OD1 ASP H 103 47.675 52.620 61.005 1.00 66.69 O +ATOM 519 OD2 ASP H 103 48.957 54.343 61.509 1.00 63.43 O +ATOM 520 N ALA H 104 48.017 51.253 65.889 1.00 46.54 N +ATOM 521 CA ALA H 104 48.487 50.573 67.089 1.00 51.69 C +ATOM 522 C ALA H 104 47.823 49.226 67.261 1.00 48.01 C +ATOM 523 O ALA H 104 48.492 48.230 67.510 1.00 49.80 O +ATOM 524 CB ALA H 104 48.202 51.407 68.288 1.00 51.95 C +ATOM 525 N GLU H 105 46.505 49.190 67.148 1.00 93.70 N +ATOM 526 CA GLU H 105 45.805 47.928 67.261 1.00 67.12 C +ATOM 527 C GLU H 105 46.328 46.900 66.271 1.00 73.92 C +ATOM 528 O GLU H 105 46.532 45.757 66.624 1.00 72.96 O +ATOM 529 CB GLU H 105 44.328 48.144 67.037 1.00 60.45 C +ATOM 530 CG GLU H 105 43.495 46.914 67.205 1.00 43.71 C +ATOM 531 CD GLU H 105 43.466 46.399 68.657 1.00 48.52 C +ATOM 532 OE1 GLU H 105 43.332 47.234 69.603 1.00 52.24 O +ATOM 533 OE2 GLU H 105 43.566 45.144 68.849 1.00 48.82 O +ATOM 534 N LYS H 106 46.549 47.319 65.030 1.00 41.02 N +ATOM 535 CA LYS H 106 46.974 46.435 63.942 1.00 47.31 C +ATOM 536 C LYS H 106 48.361 45.881 64.173 1.00 69.76 C +ATOM 537 O LYS H 106 48.658 44.737 63.852 1.00 73.91 O +ATOM 538 CB LYS H 106 46.962 47.183 62.626 1.00 68.86 C +ATOM 539 CG LYS H 106 45.630 47.202 61.908 1.00 44.94 C +ATOM 540 CD LYS H 106 45.750 48.046 60.614 1.00 58.69 C +ATOM 541 CE LYS H 106 44.429 48.183 59.834 1.00 67.19 C +ATOM 542 NZ LYS H 106 44.554 49.242 58.746 1.00 79.92 N +ATOM 543 N ALA H 107 49.209 46.716 64.737 1.00 47.66 N +ATOM 544 CA ALA H 107 50.593 46.379 64.969 1.00 52.73 C +ATOM 545 C ALA H 107 50.747 45.480 66.177 1.00 55.67 C +ATOM 546 O ALA H 107 51.494 44.512 66.126 1.00 60.19 O +ATOM 547 CB ALA H 107 51.434 47.656 65.140 1.00 31.08 C +ATOM 548 N GLN H 108 50.061 45.793 67.268 1.00 65.26 N +ATOM 549 CA GLN H 108 50.100 44.910 68.424 1.00 71.71 C +ATOM 550 C GLN H 108 49.584 43.514 68.047 1.00 67.81 C +ATOM 551 O GLN H 108 50.045 42.496 68.561 1.00 70.86 O +ATOM 552 CB GLN H 108 49.282 45.475 69.577 1.00 96.28 C +ATOM 553 CG GLN H 108 48.477 44.399 70.251 1.00 81.74 C +ATOM 554 CD GLN H 108 47.844 44.840 71.550 1.00 79.22 C +ATOM 555 OE1 GLN H 108 48.441 45.607 72.322 1.00 92.52 O +ATOM 556 NE2 GLN H 108 46.619 44.336 71.813 1.00 62.24 N +ATOM 557 N GLY H 109 48.631 43.474 67.128 1.00 56.22 N +ATOM 558 CA GLY H 109 48.036 42.227 66.701 1.00 36.90 C +ATOM 559 C GLY H 109 48.897 41.428 65.760 1.00 56.79 C +ATOM 560 O GLY H 109 48.951 40.203 65.859 1.00 55.02 O +ATOM 561 N GLN H 110 49.558 42.114 64.829 1.00 51.51 N +ATOM 562 CA GLN H 110 50.456 41.445 63.910 1.00 66.00 C +ATOM 563 C GLN H 110 51.600 40.790 64.676 1.00 67.04 C +ATOM 564 O GLN H 110 52.014 39.675 64.362 1.00 73.71 O +ATOM 565 CB GLN H 110 50.981 42.417 62.863 1.00110.89 C +ATOM 566 CG GLN H 110 51.595 41.700 61.693 1.00132.09 C +ATOM 567 CD GLN H 110 50.870 40.398 61.376 1.00135.84 C +ATOM 568 OE1 GLN H 110 51.501 39.359 61.179 1.00148.44 O +ATOM 569 NE2 GLN H 110 49.539 40.447 61.337 1.00111.23 N +ATOM 570 N LYS H 111 52.089 41.476 65.703 1.00 62.28 N +ATOM 571 CA LYS H 111 53.207 40.974 66.484 1.00 67.05 C +ATOM 572 C LYS H 111 52.793 39.796 67.365 1.00 68.92 C +ATOM 573 O LYS H 111 53.528 38.832 67.512 1.00 75.87 O +ATOM 574 CB LYS H 111 53.825 42.109 67.300 1.00 63.59 C +ATOM 575 CG LYS H 111 54.190 41.745 68.729 1.00 69.52 C +ATOM 576 CD LYS H 111 54.760 42.942 69.503 1.00 79.22 C +ATOM 577 CE LYS H 111 56.282 42.886 69.610 1.00 90.70 C +ATOM 578 NZ LYS H 111 56.973 43.110 68.291 1.00101.46 N +ATOM 579 N LYS H 112 51.605 39.872 67.942 1.00 65.39 N +ATOM 580 CA LYS H 112 51.057 38.754 68.690 1.00 63.86 C +ATOM 581 C LYS H 112 50.944 37.525 67.806 1.00 63.41 C +ATOM 582 O LYS H 112 51.332 36.449 68.223 1.00 68.62 O +ATOM 583 CB LYS H 112 49.690 39.118 69.277 1.00 54.94 C +ATOM 584 CG LYS H 112 49.149 38.136 70.295 1.00 45.69 C +ATOM 585 CD LYS H 112 50.218 37.801 71.315 1.00 56.08 C +ATOM 586 CE LYS H 112 49.685 36.902 72.418 1.00 55.73 C +ATOM 587 NZ LYS H 112 50.715 36.661 73.473 1.00 70.33 N +ATOM 588 N VAL H 113 50.424 37.665 66.592 1.00 83.63 N +ATOM 589 CA VAL H 113 50.298 36.498 65.725 1.00 81.46 C +ATOM 590 C VAL H 113 51.659 35.924 65.393 1.00113.27 C +ATOM 591 O VAL H 113 51.882 34.723 65.465 1.00119.14 O +ATOM 592 CB VAL H 113 49.594 36.802 64.393 1.00 55.13 C +ATOM 593 CG1 VAL H 113 49.707 35.609 63.484 1.00 54.69 C +ATOM 594 CG2 VAL H 113 48.114 37.117 64.606 1.00 21.94 C +ATOM 595 N GLU H 114 52.564 36.807 65.012 1.00 65.17 N +ATOM 596 CA GLU H 114 53.904 36.430 64.610 1.00 78.12 C +ATOM 597 C GLU H 114 54.538 35.589 65.717 1.00 77.43 C +ATOM 598 O GLU H 114 55.138 34.550 65.455 1.00 88.94 O +ATOM 599 CB GLU H 114 54.723 37.697 64.333 1.00105.06 C +ATOM 600 CG GLU H 114 55.928 37.493 63.432 1.00119.33 C +ATOM 601 CD GLU H 114 56.163 38.655 62.473 1.00122.19 C +ATOM 602 OE1 GLU H 114 55.406 39.651 62.526 1.00116.12 O +ATOM 603 OE2 GLU H 114 57.108 38.566 61.656 1.00126.27 O +ATOM 604 N GLU H 115 54.384 36.049 66.954 1.00 64.22 N +ATOM 605 CA GLU H 115 54.860 35.332 68.125 1.00 65.83 C +ATOM 606 C GLU H 115 54.274 33.928 68.155 1.00 69.31 C +ATOM 607 O GLU H 115 54.994 32.927 68.196 1.00 77.57 O +ATOM 608 CB GLU H 115 54.445 36.067 69.394 1.00 71.70 C +ATOM 609 CG GLU H 115 55.222 37.325 69.670 1.00 77.72 C +ATOM 610 CD GLU H 115 54.946 37.882 71.062 1.00 87.46 C +ATOM 611 OE1 GLU H 115 55.329 39.050 71.320 1.00 92.32 O +ATOM 612 OE2 GLU H 115 54.346 37.150 71.893 1.00 88.55 O +ATOM 613 N LEU H 116 52.952 33.879 68.131 1.00100.51 N +ATOM 614 CA LEU H 116 52.216 32.635 68.177 1.00 95.97 C +ATOM 615 C LEU H 116 52.532 31.703 67.021 1.00106.19 C +ATOM 616 O LEU H 116 52.447 30.492 67.161 1.00104.08 O +ATOM 617 CB LEU H 116 50.727 32.931 68.183 1.00 65.88 C +ATOM 618 CG LEU H 116 50.065 32.874 69.547 1.00 51.10 C +ATOM 619 CD1 LEU H 116 51.028 33.244 70.659 1.00 51.90 C +ATOM 620 CD2 LEU H 116 48.873 33.794 69.548 1.00 34.15 C +ATOM 621 N GLU H 117 52.873 32.260 65.869 1.00 74.67 N +ATOM 622 CA GLU H 117 53.131 31.422 64.712 1.00 83.17 C +ATOM 623 C GLU H 117 54.528 30.845 64.803 1.00 98.67 C +ATOM 624 O GLU H 117 54.827 29.800 64.226 1.00102.57 O +ATOM 625 CB GLU H 117 52.920 32.199 63.419 1.00110.33 C +ATOM 626 CG GLU H 117 51.476 32.191 62.980 1.00 86.02 C +ATOM 627 CD GLU H 117 51.203 33.062 61.757 1.00 89.65 C +ATOM 628 OE1 GLU H 117 52.042 33.940 61.427 1.00113.47 O +ATOM 629 OE2 GLU H 117 50.128 32.862 61.133 1.00 68.18 O +ATOM 630 N GLY H 118 55.370 31.532 65.562 1.00 67.52 N +ATOM 631 CA GLY H 118 56.732 31.104 65.783 1.00 77.54 C +ATOM 632 C GLY H 118 56.768 29.950 66.757 1.00 78.93 C +ATOM 633 O GLY H 118 57.545 29.008 66.582 1.00 90.66 O +ATOM 634 N GLU H 119 55.929 30.035 67.788 1.00 96.50 N +ATOM 635 CA GLU H 119 55.758 28.947 68.737 1.00 93.71 C +ATOM 636 C GLU H 119 55.259 27.701 68.008 1.00 95.91 C +ATOM 637 O GLU H 119 55.839 26.630 68.145 1.00101.26 O +ATOM 638 CB GLU H 119 54.789 29.339 69.861 1.00 90.17 C +ATOM 639 CG GLU H 119 55.367 30.286 70.917 1.00 91.69 C +ATOM 640 CD GLU H 119 54.448 30.478 72.146 1.00 89.29 C +ATOM 641 OE1 GLU H 119 53.752 29.510 72.560 1.00 87.97 O +ATOM 642 OE2 GLU H 119 54.442 31.603 72.709 1.00 92.34 O +ATOM 643 N ILE H 120 54.190 27.848 67.231 1.00 83.83 N +ATOM 644 CA ILE H 120 53.669 26.745 66.447 1.00 82.84 C +ATOM 645 C ILE H 120 54.740 26.137 65.558 1.00 98.40 C +ATOM 646 O ILE H 120 54.735 24.937 65.311 1.00101.30 O +ATOM 647 CB ILE H 120 52.514 27.174 65.550 1.00 71.30 C +ATOM 648 CG1 ILE H 120 51.203 27.261 66.334 1.00 49.69 C +ATOM 649 CG2 ILE H 120 52.333 26.185 64.418 1.00 70.78 C +ATOM 650 CD1 ILE H 120 50.308 28.458 65.866 1.00 30.23 C +ATOM 651 N THR H 121 55.653 26.962 65.057 1.00 68.24 N +ATOM 652 CA THR H 121 56.760 26.448 64.250 1.00 84.33 C +ATOM 653 C THR H 121 57.691 25.575 65.093 1.00 89.76 C +ATOM 654 O THR H 121 57.855 24.394 64.815 1.00 94.08 O +ATOM 655 CB THR H 121 57.542 27.567 63.549 1.00115.97 C +ATOM 656 OG1 THR H 121 56.882 27.892 62.321 1.00120.14 O +ATOM 657 CG2 THR H 121 58.949 27.107 63.238 1.00134.27 C +ATOM 658 N THR H 122 58.285 26.157 66.126 1.00 84.88 N +ATOM 659 CA THR H 122 59.065 25.385 67.081 1.00 92.70 C +ATOM 660 C THR H 122 58.378 24.047 67.374 1.00 85.66 C +ATOM 661 O THR H 122 58.910 22.986 67.042 1.00 94.52 O +ATOM 662 CB THR H 122 59.284 26.166 68.401 1.00 76.63 C +ATOM 663 OG1 THR H 122 60.103 27.318 68.154 1.00 84.73 O +ATOM 664 CG2 THR H 122 59.965 25.290 69.438 1.00 82.90 C +ATOM 665 N LEU H 123 57.189 24.102 67.974 1.00 74.97 N +ATOM 666 CA LEU H 123 56.458 22.903 68.380 1.00 66.53 C +ATOM 667 C LEU H 123 56.267 21.854 67.284 1.00 69.03 C +ATOM 668 O LEU H 123 56.480 20.672 67.538 1.00 71.62 O +ATOM 669 CB LEU H 123 55.096 23.264 68.979 1.00 67.40 C +ATOM 670 CG LEU H 123 55.074 23.859 70.385 1.00 63.33 C +ATOM 671 CD1 LEU H 123 53.805 24.631 70.587 1.00 50.71 C +ATOM 672 CD2 LEU H 123 55.210 22.797 71.459 1.00 63.67 C +ATOM 673 N ASN H 124 55.848 22.254 66.084 1.00 81.75 N +ATOM 674 CA ASN H 124 55.667 21.281 65.000 1.00 87.50 C +ATOM 675 C ASN H 124 56.960 20.567 64.659 1.00103.50 C +ATOM 676 O ASN H 124 56.951 19.404 64.271 1.00105.76 O +ATOM 677 CB ASN H 124 55.086 21.926 63.747 1.00 92.05 C +ATOM 678 CG ASN H 124 53.602 21.682 63.609 1.00 79.94 C +ATOM 679 OD1 ASN H 124 53.091 20.635 64.010 1.00 72.79 O +ATOM 680 ND2 ASN H 124 52.893 22.652 63.044 1.00 71.91 N +ATOM 681 N HIS H 125 58.073 21.277 64.803 1.00 80.05 N +ATOM 682 CA HIS H 125 59.373 20.684 64.579 1.00 98.63 C +ATOM 683 C HIS H 125 59.613 19.694 65.701 1.00 97.08 C +ATOM 684 O HIS H 125 59.661 18.491 65.464 1.00100.79 O +ATOM 685 CB HIS H 125 60.482 21.740 64.521 1.00136.17 C +ATOM 686 CG HIS H 125 61.850 21.171 64.284 1.00161.09 C +ATOM 687 ND1 HIS H 125 62.806 21.089 65.274 1.00175.05 N +ATOM 688 CD2 HIS H 125 62.417 20.646 63.171 1.00177.95 C +ATOM 689 CE1 HIS H 125 63.904 20.546 64.781 1.00194.72 C +ATOM 690 NE2 HIS H 125 63.695 20.265 63.508 1.00195.25 N +ATOM 691 N LYS H 126 59.728 20.179 66.931 1.00 86.32 N +ATOM 692 CA LYS H 126 60.040 19.265 68.026 1.00 86.58 C +ATOM 693 C LYS H 126 58.957 18.189 68.279 1.00 74.48 C +ATOM 694 O LYS H 126 59.198 17.221 68.994 1.00 78.22 O +ATOM 695 CB LYS H 126 60.452 20.011 69.304 1.00 94.79 C +ATOM 696 CG LYS H 126 59.317 20.609 70.093 1.00 90.60 C +ATOM 697 CD LYS H 126 59.832 21.256 71.377 1.00 88.20 C +ATOM 698 CE LYS H 126 60.770 22.408 71.098 1.00 95.78 C +ATOM 699 NZ LYS H 126 61.059 23.191 72.324 1.00 97.10 N +ATOM 700 N LEU H 127 57.791 18.337 67.666 1.00124.52 N +ATOM 701 CA LEU H 127 56.816 17.260 67.689 1.00116.23 C +ATOM 702 C LEU H 127 57.266 16.130 66.784 1.00126.41 C +ATOM 703 O LEU H 127 57.111 14.960 67.109 1.00125.12 O +ATOM 704 CB LEU H 127 55.451 17.742 67.218 1.00 66.70 C +ATOM 705 CG LEU H 127 54.441 16.596 67.135 1.00 56.00 C +ATOM 706 CD1 LEU H 127 54.360 15.867 68.490 1.00 50.73 C +ATOM 707 CD2 LEU H 127 53.048 17.060 66.703 1.00 46.18 C +ATOM 708 N GLN H 128 57.816 16.494 65.634 1.00 81.62 N +ATOM 709 CA GLN H 128 58.209 15.521 64.626 1.00 93.98 C +ATOM 710 C GLN H 128 59.503 14.842 65.047 1.00106.92 C +ATOM 711 O GLN H 128 59.699 13.656 64.787 1.00111.10 O +ATOM 712 CB GLN H 128 58.370 16.191 63.255 1.00126.23 C +ATOM 713 CG GLN H 128 59.756 16.753 62.988 1.00145.04 C +ATOM 714 CD GLN H 128 59.798 17.664 61.779 1.00158.15 C +ATOM 715 OE1 GLN H 128 58.768 17.947 61.167 1.00150.94 O +ATOM 716 NE2 GLN H 128 60.993 18.133 61.432 1.00175.39 N +ATOM 717 N ASP H 129 60.381 15.603 65.698 1.00 95.60 N +ATOM 718 CA ASP H 129 61.597 15.050 66.284 1.00110.67 C +ATOM 719 C ASP H 129 61.235 13.930 67.252 1.00103.27 C +ATOM 720 O ASP H 129 61.563 12.772 67.018 1.00109.18 O +ATOM 721 CB ASP H 129 62.404 16.130 67.010 1.00105.87 C +ATOM 722 CG ASP H 129 63.421 16.813 66.109 1.00124.19 C +ATOM 723 OD1 ASP H 129 63.394 16.582 64.879 1.00128.98 O +ATOM 724 OD2 ASP H 129 64.250 17.584 66.637 1.00134.57 O +ATOM 725 N ALA H 130 60.555 14.270 68.338 1.00109.31 N +ATOM 726 CA ALA H 130 60.064 13.242 69.238 1.00102.65 C +ATOM 727 C ALA H 130 59.281 12.170 68.474 1.00 96.27 C +ATOM 728 O ALA H 130 59.383 10.989 68.787 1.00 96.92 O +ATOM 729 CB ALA H 130 59.207 13.851 70.344 1.00 87.35 C +ATOM 730 N SER H 131 58.507 12.569 67.472 1.00135.32 N +ATOM 731 CA SER H 131 57.648 11.614 66.774 1.00130.02 C +ATOM 732 C SER H 131 58.438 10.541 66.022 1.00138.85 C +ATOM 733 O SER H 131 58.100 9.360 66.060 1.00136.94 O +ATOM 734 CB SER H 131 56.683 12.333 65.831 1.00100.12 C +ATOM 735 OG SER H 131 55.352 11.898 66.052 1.00 92.31 O +ATOM 736 N ALA H 132 59.493 10.956 65.338 1.00 98.75 N +ATOM 737 CA ALA H 132 60.368 10.014 64.649 1.00110.80 C +ATOM 738 C ALA H 132 61.092 9.116 65.653 1.00118.43 C +ATOM 739 O ALA H 132 61.206 7.910 65.453 1.00195.85 O +ATOM 740 CB ALA H 132 61.364 10.764 63.773 1.00 61.99 C +ATOM 741 N GLU H 133 61.581 9.718 66.731 1.00 94.95 N +ATOM 742 CA GLU H 133 62.191 8.972 67.821 1.00104.50 C +ATOM 743 C GLU H 133 61.264 7.868 68.327 1.00 92.75 C +ATOM 744 O GLU H 133 61.714 6.757 68.595 1.00100.70 O +ATOM 745 CB GLU H 133 62.567 9.913 68.968 1.00123.37 C +ATOM 746 CG GLU H 133 63.125 9.216 70.197 1.00129.04 C +ATOM 747 CD GLU H 133 64.635 9.141 70.189 1.00149.91 C +ATOM 748 OE1 GLU H 133 65.231 9.297 69.104 1.00158.62 O +ATOM 749 OE2 GLU H 133 65.226 8.930 71.268 1.00158.52 O +ATOM 750 N VAL H 134 59.975 8.168 68.466 1.00118.04 N +ATOM 751 CA VAL H 134 59.006 7.155 68.901 1.00106.89 C +ATOM 752 C VAL H 134 58.816 6.102 67.820 1.00107.00 C +ATOM 753 O VAL H 134 58.538 4.940 68.114 1.00102.60 O +ATOM 754 CB VAL H 134 57.610 7.761 69.270 1.00 80.06 C +ATOM 755 CG1 VAL H 134 56.482 6.720 69.115 1.00 68.97 C +ATOM 756 CG2 VAL H 134 57.615 8.348 70.677 1.00 79.66 C +ATOM 757 N GLU H 135 58.958 6.515 66.566 1.00121.47 N +ATOM 758 CA GLU H 135 58.797 5.594 65.453 1.00126.27 C +ATOM 759 C GLU H 135 59.981 4.635 65.377 1.00143.46 C +ATOM 760 O GLU H 135 59.808 3.427 65.229 1.00146.12 O +ATOM 761 CB GLU H 135 58.651 6.363 64.138 1.00148.31 C +ATOM 762 CG GLU H 135 58.371 5.485 62.931 1.00155.70 C +ATOM 763 CD GLU H 135 57.040 4.772 63.035 1.00145.39 C +ATOM 764 OE1 GLU H 135 56.270 5.090 63.972 1.00131.38 O +ATOM 765 OE2 GLU H 135 56.767 3.898 62.183 1.00150.72 O +ATOM 766 N ARG H 136 61.187 5.181 65.485 1.00133.45 N +ATOM 767 CA ARG H 136 62.387 4.362 65.466 1.00151.49 C +ATOM 768 C ARG H 136 62.389 3.384 66.634 1.00146.44 C +ATOM 769 O ARG H 136 62.680 2.207 66.461 1.00144.36 O +ATOM 770 CB ARG H 136 63.641 5.236 65.500 1.00187.81 C +ATOM 771 CG ARG H 136 64.934 4.451 65.584 1.00209.27 C +ATOM 772 CD ARG H 136 65.209 3.954 67.000 1.00223.20 C +ATOM 773 NE ARG H 136 65.528 5.019 67.949 1.00229.98 N +ATOM 774 CZ ARG H 136 66.124 6.166 67.636 1.00240.01 C +ATOM 775 NH1 ARG H 136 66.484 6.427 66.386 1.00244.07 N +ATOM 776 NH2 ARG H 136 66.369 7.057 68.583 1.00246.16 N +ATOM 777 N LEU H 137 62.069 3.861 67.829 1.00128.73 N +ATOM 778 CA LEU H 137 62.057 2.972 68.982 1.00125.51 C +ATOM 779 C LEU H 137 60.988 1.891 68.847 1.00111.00 C +ATOM 780 O LEU H 137 61.282 0.724 69.037 1.00115.87 O +ATOM 781 CB LEU H 137 61.901 3.750 70.294 1.00117.12 C +ATOM 782 CG LEU H 137 63.020 4.752 70.607 1.00133.86 C +ATOM 783 CD1 LEU H 137 62.785 5.432 71.951 1.00144.42 C +ATOM 784 CD2 LEU H 137 64.387 4.078 70.568 1.00143.96 C +ATOM 785 N ARG H 138 59.760 2.269 68.506 1.00158.31 N +ATOM 786 CA ARG H 138 58.660 1.307 68.430 1.00145.95 C +ATOM 787 C ARG H 138 59.126 -0.055 67.929 1.00154.19 C +ATOM 788 O ARG H 138 58.536 -1.084 68.255 1.00154.15 O +ATOM 789 CB ARG H 138 57.560 1.817 67.509 1.00169.95 C +ATOM 790 CG ARG H 138 57.813 1.443 66.060 1.00167.83 C +ATOM 791 CD ARG H 138 56.856 2.127 65.099 1.00163.39 C +ATOM 792 NE ARG H 138 55.574 1.438 64.997 1.00158.64 N +ATOM 793 CZ ARG H 138 54.817 1.431 63.904 1.00156.69 C +ATOM 794 NH1 ARG H 138 55.214 2.067 62.809 1.00160.26 N +ATOM 795 NH2 ARG H 138 53.663 0.778 63.905 1.00151.30 N +ATOM 796 N ARG H 139 60.514 0.761 65.583 1.00166.33 N +ATOM 797 CA ARG H 139 60.634 -0.550 64.961 1.00169.65 C +ATOM 798 C ARG H 139 61.572 -1.439 65.769 1.00174.01 C +ATOM 799 O ARG H 139 61.512 -2.662 65.675 1.00177.32 O +ATOM 800 CB ARG H 139 61.125 -0.412 63.527 1.00 88.26 C +ATOM 801 N GLU H 140 62.432 -0.814 66.567 1.00157.75 N +ATOM 802 CA GLU H 140 63.405 -1.546 67.370 1.00162.31 C +ATOM 803 C GLU H 140 62.736 -2.533 68.321 1.00161.30 C +ATOM 804 O GLU H 140 63.151 -3.689 68.416 1.00164.52 O +ATOM 805 CB GLU H 140 64.309 -0.585 68.145 1.00164.15 C +ATOM 806 CG GLU H 140 65.164 0.302 67.253 1.00165.34 C +ATOM 807 CD GLU H 140 66.345 0.904 67.990 1.00169.50 C +ATOM 808 OE1 GLU H 140 66.516 0.587 69.190 1.00171.66 O +ATOM 809 OE2 GLU H 140 67.101 1.686 67.367 1.00170.98 O +ATOM 810 N ASN H 141 61.697 -2.083 69.017 1.00152.71 N +ATOM 811 CA ASN H 141 60.987 -2.954 69.952 1.00151.38 C +ATOM 812 C ASN H 141 60.284 -4.158 69.302 1.00150.30 C +ATOM 813 O ASN H 141 60.193 -5.224 69.905 1.00150.15 O +ATOM 814 CB ASN H 141 60.024 -2.152 70.835 1.00147.80 C +ATOM 815 CG ASN H 141 60.623 -1.813 72.191 1.00150.11 C +ATOM 816 OD1 ASN H 141 59.976 -1.989 73.226 1.00151.49 O +ATOM 817 ND2 ASN H 141 61.871 -1.342 72.193 1.00150.99 N +ATOM 818 N GLN H 142 59.800 -3.994 68.074 1.00173.42 N +ATOM 819 CA GLN H 142 59.200 -5.110 67.342 1.00173.11 C +ATOM 820 C GLN H 142 60.259 -6.116 66.901 1.00177.40 C +ATOM 821 O GLN H 142 60.554 -7.076 67.610 1.00180.84 O +ATOM 822 CB GLN H 142 58.424 -4.605 66.138 1.00 93.30 C Added: SwiftApps/modFTdock/input/indata/2yx8-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2yx8-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2yx8-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,650 @@ +ATOM 1 N CYS A 27 34.939 8.141 26.097 1.00 61.68 N +ATOM 2 CA CYS A 27 34.305 6.810 26.338 1.00 61.01 C +ATOM 3 C CYS A 27 33.741 6.231 25.060 1.00 63.98 C +ATOM 4 O CYS A 27 33.961 6.755 23.970 1.00 63.63 O +ATOM 5 CB CYS A 27 33.143 6.934 27.318 1.00 56.61 C +ATOM 6 SG CYS A 27 31.731 7.869 26.631 1.00 47.29 S +ATOM 7 N GLN A 28 32.991 5.146 25.218 1.00 68.75 N +ATOM 8 CA GLN A 28 32.334 4.496 24.093 1.00 73.22 C +ATOM 9 C GLN A 28 31.154 5.416 23.768 1.00 73.73 C +ATOM 10 O GLN A 28 29.987 5.038 23.890 1.00 74.54 O +ATOM 11 CB GLN A 28 31.838 3.108 24.503 1.00 76.68 C +ATOM 12 CG GLN A 28 32.920 2.234 25.123 1.00 81.48 C +ATOM 13 CD GLN A 28 32.964 0.839 24.522 1.00 83.09 C +ATOM 14 OE1 GLN A 28 33.062 0.683 23.303 1.00 82.96 O +ATOM 15 NE2 GLN A 28 32.899 -0.182 25.375 1.00 82.87 N +ATOM 16 N GLU A 29 31.495 6.635 23.364 1.00 73.82 N +ATOM 17 CA GLU A 29 30.542 7.687 23.040 1.00 74.65 C +ATOM 18 C GLU A 29 29.297 7.293 22.246 1.00 73.55 C +ATOM 19 O GLU A 29 28.207 7.799 22.514 1.00 73.38 O +ATOM 20 CB GLU A 29 31.287 8.820 22.329 1.00 78.09 C +ATOM 21 CG GLU A 29 32.308 9.529 23.224 1.00 83.97 C +ATOM 22 CD GLU A 29 33.163 10.541 22.473 1.00 86.41 C +ATOM 23 OE1 GLU A 29 32.589 11.398 21.769 1.00 88.80 O +ATOM 24 OE2 GLU A 29 34.407 10.485 22.591 1.00 87.12 O +ATOM 25 N ALA A 30 29.446 6.399 21.275 1.00 72.70 N +ATOM 26 CA ALA A 30 28.304 5.975 20.464 1.00 69.70 C +ATOM 27 C ALA A 30 27.272 5.200 21.278 1.00 66.91 C +ATOM 28 O ALA A 30 26.109 5.609 21.376 1.00 67.16 O +ATOM 29 CB ALA A 30 28.779 5.120 19.294 1.00 72.24 C +ATOM 30 N ASN A 31 27.706 4.077 21.850 1.00 62.40 N +ATOM 31 CA ASN A 31 26.826 3.225 22.638 1.00 58.76 C +ATOM 32 C ASN A 31 26.400 3.890 23.938 1.00 54.31 C +ATOM 33 O ASN A 31 25.533 3.387 24.647 1.00 53.67 O +ATOM 34 CB ASN A 31 27.498 1.871 22.908 1.00 62.27 C +ATOM 35 CG ASN A 31 28.342 1.867 24.167 1.00 65.87 C +ATOM 36 OD1 ASN A 31 29.248 2.679 24.316 1.00 66.87 O +ATOM 37 ND2 ASN A 31 28.048 0.938 25.081 1.00 65.53 N +ATOM 38 N TYR A 32 27.019 5.019 24.257 1.00 48.72 N +ATOM 39 CA TYR A 32 26.645 5.753 25.454 1.00 43.67 C +ATOM 40 C TYR A 32 25.280 6.377 25.157 1.00 43.16 C +ATOM 41 O TYR A 32 24.404 6.439 26.021 1.00 42.14 O +ATOM 42 CB TYR A 32 27.672 6.847 25.766 1.00 38.47 C +ATOM 43 CG TYR A 32 27.198 7.842 26.800 1.00 35.36 C +ATOM 44 CD1 TYR A 32 26.894 7.436 28.099 1.00 34.21 C +ATOM 45 CD2 TYR A 32 27.031 9.188 26.475 1.00 31.93 C +ATOM 46 CE1 TYR A 32 26.436 8.340 29.050 1.00 30.55 C +ATOM 47 CE2 TYR A 32 26.569 10.103 27.425 1.00 31.91 C +ATOM 48 CZ TYR A 32 26.277 9.668 28.709 1.00 31.49 C +ATOM 49 OH TYR A 32 25.840 10.559 29.662 1.00 35.30 O +ATOM 50 N GLY A 33 25.110 6.827 23.917 1.00 43.03 N +ATOM 51 CA GLY A 33 23.855 7.428 23.503 1.00 42.48 C +ATOM 52 C GLY A 33 22.719 6.422 23.438 1.00 40.90 C +ATOM 53 O GLY A 33 21.588 6.726 23.812 1.00 40.66 O +ATOM 54 N ALA A 34 23.012 5.220 22.958 1.00 40.45 N +ATOM 55 CA ALA A 34 21.994 4.180 22.871 1.00 40.50 C +ATOM 56 C ALA A 34 21.534 3.866 24.291 1.00 39.69 C +ATOM 57 O ALA A 34 20.335 3.799 24.584 1.00 39.44 O +ATOM 58 CB ALA A 34 22.575 2.933 22.219 1.00 39.00 C +ATOM 59 N LEU A 35 22.517 3.694 25.167 1.00 38.14 N +ATOM 60 CA LEU A 35 22.297 3.382 26.570 1.00 37.24 C +ATOM 61 C LEU A 35 21.422 4.441 27.246 1.00 37.18 C +ATOM 62 O LEU A 35 20.601 4.128 28.108 1.00 38.96 O +ATOM 63 CB LEU A 35 23.654 3.287 27.267 1.00 35.44 C +ATOM 64 CG LEU A 35 23.757 2.487 28.560 1.00 39.69 C +ATOM 65 CD1 LEU A 35 23.143 1.101 28.370 1.00 39.38 C +ATOM 66 CD2 LEU A 35 25.225 2.374 28.954 1.00 39.30 C +ATOM 67 N LEU A 36 21.598 5.694 26.842 1.00 36.41 N +ATOM 68 CA LEU A 36 20.832 6.803 27.398 1.00 33.78 C +ATOM 69 C LEU A 36 19.352 6.706 27.052 1.00 33.47 C +ATOM 70 O LEU A 36 18.500 7.067 27.852 1.00 33.79 O +ATOM 71 CB LEU A 36 21.392 8.131 26.872 1.00 32.30 C +ATOM 72 CG LEU A 36 22.130 9.090 27.814 1.00 30.60 C +ATOM 73 CD1 LEU A 36 22.969 8.328 28.830 1.00 30.80 C +ATOM 74 CD2 LEU A 36 22.993 10.024 26.973 1.00 29.11 C +ATOM 75 N ARG A 37 19.041 6.220 25.858 1.00 35.38 N +ATOM 76 CA ARG A 37 17.649 6.121 25.444 1.00 39.37 C +ATOM 77 C ARG A 37 17.044 4.792 25.866 1.00 40.04 C +ATOM 78 O ARG A 37 15.900 4.732 26.323 1.00 40.22 O +ATOM 79 CB ARG A 37 17.537 6.301 23.923 1.00 39.85 C +ATOM 80 CG ARG A 37 18.256 7.550 23.418 1.00 46.81 C +ATOM 81 CD ARG A 37 17.998 7.868 21.948 1.00 50.83 C +ATOM 82 NE ARG A 37 16.738 8.579 21.724 1.00 55.62 N +ATOM 83 CZ ARG A 37 15.542 7.997 21.661 1.00 57.85 C +ATOM 84 NH1 ARG A 37 15.433 6.682 21.803 1.00 58.33 N +ATOM 85 NH2 ARG A 37 14.453 8.727 21.450 1.00 57.99 N +ATOM 86 N GLU A 38 17.829 3.732 25.727 1.00 39.83 N +ATOM 87 CA GLU A 38 17.382 2.393 26.069 1.00 41.11 C +ATOM 88 C GLU A 38 17.141 2.190 27.555 1.00 40.95 C +ATOM 89 O GLU A 38 16.219 1.472 27.949 1.00 41.87 O +ATOM 90 CB GLU A 38 18.403 1.373 25.569 1.00 43.11 C +ATOM 91 CG GLU A 38 18.331 1.107 24.070 1.00 46.93 C +ATOM 92 CD GLU A 38 19.643 0.588 23.514 1.00 51.67 C +ATOM 93 OE1 GLU A 38 20.427 -0.005 24.293 1.00 53.31 O +ATOM 94 OE2 GLU A 38 19.888 0.766 22.300 1.00 52.27 O +ATOM 95 N LEU A 39 17.957 2.833 28.380 1.00 39.81 N +ATOM 96 CA LEU A 39 17.839 2.682 29.820 1.00 38.54 C +ATOM 97 C LEU A 39 17.211 3.883 30.522 1.00 38.53 C +ATOM 98 O LEU A 39 16.128 3.783 31.090 1.00 40.83 O +ATOM 99 CB LEU A 39 19.221 2.415 30.409 1.00 38.80 C +ATOM 100 CG LEU A 39 19.384 1.401 31.545 1.00 41.69 C +ATOM 101 CD1 LEU A 39 20.149 2.081 32.666 1.00 40.25 C +ATOM 102 CD2 LEU A 39 18.034 0.874 32.033 1.00 40.09 C +ATOM 103 N CYS A 40 17.895 5.019 30.476 1.00 37.31 N +ATOM 104 CA CYS A 40 17.426 6.236 31.131 1.00 36.07 C +ATOM 105 C CYS A 40 16.124 6.828 30.600 1.00 35.46 C +ATOM 106 O CYS A 40 15.206 7.106 31.366 1.00 34.28 O +ATOM 107 CB CYS A 40 18.507 7.312 31.053 1.00 35.54 C +ATOM 108 SG CYS A 40 20.105 6.835 31.775 1.00 37.77 S +ATOM 109 N LEU A 41 16.055 7.034 29.290 1.00 34.46 N +ATOM 110 CA LEU A 41 14.878 7.633 28.672 1.00 33.90 C +ATOM 111 C LEU A 41 13.609 6.814 28.866 1.00 34.43 C +ATOM 112 O LEU A 41 12.554 7.362 29.187 1.00 33.76 O +ATOM 113 CB LEU A 41 15.128 7.864 27.174 1.00 31.47 C +ATOM 114 CG LEU A 41 14.047 8.641 26.416 1.00 29.03 C +ATOM 115 CD1 LEU A 41 13.811 9.975 27.102 1.00 28.18 C +ATOM 116 CD2 LEU A 41 14.468 8.850 24.969 1.00 26.16 C +ATOM 117 N THR A 42 13.714 5.503 28.677 1.00 35.03 N +ATOM 118 CA THR A 42 12.563 4.618 28.821 1.00 36.27 C +ATOM 119 C THR A 42 11.867 4.743 30.183 1.00 38.01 C +ATOM 120 O THR A 42 10.633 4.854 30.254 1.00 37.47 O +ATOM 121 CB THR A 42 12.972 3.153 28.593 1.00 35.39 C +ATOM 122 OG1 THR A 42 14.069 2.824 29.453 1.00 36.57 O +ATOM 123 CG2 THR A 42 13.384 2.940 27.146 1.00 33.96 C +ATOM 124 N GLN A 43 12.655 4.733 31.257 1.00 36.57 N +ATOM 125 CA GLN A 43 12.102 4.843 32.598 1.00 36.73 C +ATOM 126 C GLN A 43 11.420 6.188 32.799 1.00 36.00 C +ATOM 127 O GLN A 43 10.355 6.276 33.414 1.00 34.91 O +ATOM 128 CB GLN A 43 13.206 4.665 33.639 1.00 40.23 C +ATOM 129 CG GLN A 43 12.745 4.895 35.081 1.00 47.46 C +ATOM 130 CD GLN A 43 11.503 4.100 35.438 1.00 49.65 C +ATOM 131 OE1 GLN A 43 11.472 2.880 35.289 1.00 53.05 O +ATOM 132 NE2 GLN A 43 10.472 4.791 35.916 1.00 50.49 N +ATOM 133 N PHE A 44 12.049 7.235 32.276 1.00 34.72 N +ATOM 134 CA PHE A 44 11.527 8.592 32.380 1.00 33.08 C +ATOM 135 C PHE A 44 10.185 8.716 31.641 1.00 34.45 C +ATOM 136 O PHE A 44 9.305 9.483 32.049 1.00 32.48 O +ATOM 137 CB PHE A 44 12.556 9.564 31.792 1.00 27.88 C +ATOM 138 CG PHE A 44 12.077 10.986 31.693 1.00 24.19 C +ATOM 139 CD1 PHE A 44 11.945 11.775 32.833 1.00 24.60 C +ATOM 140 CD2 PHE A 44 11.772 11.540 30.453 1.00 20.52 C +ATOM 141 CE1 PHE A 44 11.524 13.099 32.738 1.00 22.21 C +ATOM 142 CE2 PHE A 44 11.349 12.863 30.344 1.00 20.25 C +ATOM 143 CZ PHE A 44 11.224 13.644 31.489 1.00 23.05 C +ATOM 144 N GLN A 45 10.038 7.951 30.560 1.00 34.96 N +ATOM 145 CA GLN A 45 8.821 7.970 29.751 1.00 37.01 C +ATOM 146 C GLN A 45 7.637 7.338 30.471 1.00 36.53 C +ATOM 147 O GLN A 45 6.513 7.822 30.368 1.00 34.44 O +ATOM 148 CB GLN A 45 9.064 7.264 28.413 1.00 34.39 C +ATOM 149 CG GLN A 45 10.175 7.904 27.612 1.00 35.11 C +ATOM 150 CD GLN A 45 10.335 7.300 26.235 1.00 36.30 C +ATOM 151 OE1 GLN A 45 10.399 6.085 26.082 1.00 37.87 O +ATOM 152 NE2 GLN A 45 10.416 8.154 25.222 1.00 36.47 N +ATOM 153 N VAL A 46 7.889 6.252 31.191 1.00 39.79 N +ATOM 154 CA VAL A 46 6.824 5.600 31.938 1.00 42.19 C +ATOM 155 C VAL A 46 6.309 6.580 32.989 1.00 43.86 C +ATOM 156 O VAL A 46 5.112 6.859 33.056 1.00 44.77 O +ATOM 157 CB VAL A 46 7.328 4.331 32.639 1.00 42.37 C +ATOM 158 CG1 VAL A 46 6.258 3.799 33.578 1.00 43.37 C +ATOM 159 CG2 VAL A 46 7.688 3.281 31.603 1.00 41.25 C +ATOM 160 N ASP A 47 7.218 7.107 33.803 1.00 45.11 N +ATOM 161 CA ASP A 47 6.831 8.060 34.832 1.00 46.09 C +ATOM 162 C ASP A 47 6.089 9.233 34.196 1.00 45.89 C +ATOM 163 O ASP A 47 5.001 9.600 34.633 1.00 47.38 O +ATOM 164 CB ASP A 47 8.059 8.592 35.581 1.00 49.41 C +ATOM 165 CG ASP A 47 8.942 7.485 36.127 1.00 51.81 C +ATOM 166 OD1 ASP A 47 8.414 6.546 36.757 1.00 54.40 O +ATOM 167 OD2 ASP A 47 10.174 7.560 35.935 1.00 54.62 O +ATOM 176 N GLU A 49 4.548 9.390 31.429 1.00 45.27 N +ATOM 177 CA GLU A 49 3.299 8.935 30.844 1.00 45.20 C +ATOM 178 C GLU A 49 2.228 8.940 31.925 1.00 43.31 C +ATOM 179 O GLU A 49 1.090 9.334 31.683 1.00 43.03 O +ATOM 180 CB GLU A 49 3.474 7.525 30.281 1.00 49.20 C +ATOM 181 CG GLU A 49 2.377 7.071 29.342 1.00 55.98 C +ATOM 182 CD GLU A 49 2.212 8.001 28.151 1.00 61.73 C +ATOM 183 OE1 GLU A 49 3.239 8.387 27.549 1.00 62.44 O +ATOM 184 OE2 GLU A 49 1.054 8.341 27.814 1.00 65.19 O +ATOM 185 N ALA A 50 2.607 8.518 33.126 1.00 40.78 N +ATOM 186 CA ALA A 50 1.679 8.467 34.250 1.00 39.72 C +ATOM 187 C ALA A 50 1.234 9.855 34.733 1.00 39.94 C +ATOM 188 O ALA A 50 0.140 10.010 35.277 1.00 39.98 O +ATOM 189 CB ALA A 50 2.310 7.698 35.394 1.00 36.92 C +ATOM 190 N VAL A 51 2.080 10.861 34.541 1.00 38.53 N +ATOM 191 CA VAL A 51 1.750 12.215 34.972 1.00 37.20 C +ATOM 192 C VAL A 51 0.674 12.863 34.096 1.00 36.15 C +ATOM 193 O VAL A 51 -0.322 13.383 34.602 1.00 36.87 O +ATOM 194 CB VAL A 51 3.010 13.113 34.970 1.00 37.12 C +ATOM 195 CG1 VAL A 51 2.634 14.568 35.194 1.00 32.68 C +ATOM 196 CG2 VAL A 51 3.968 12.646 36.048 1.00 36.59 C +ATOM 197 N GLY A 52 0.883 12.822 32.785 1.00 35.75 N +ATOM 198 CA GLY A 52 -0.058 13.421 31.859 1.00 33.78 C +ATOM 199 C GLY A 52 0.644 14.533 31.104 1.00 34.05 C +ATOM 200 O GLY A 52 1.218 15.433 31.713 1.00 35.56 O +ATOM 201 N GLU A 53 0.591 14.491 29.779 1.00 34.55 N +ATOM 202 CA GLU A 53 1.259 15.498 28.973 1.00 34.19 C +ATOM 203 C GLU A 53 0.996 16.938 29.384 1.00 34.36 C +ATOM 204 O GLU A 53 1.932 17.724 29.518 1.00 35.03 O +ATOM 205 CB GLU A 53 0.900 15.326 27.505 1.00 36.39 C +ATOM 206 CG GLU A 53 1.625 16.316 26.624 1.00 42.76 C +ATOM 207 CD GLU A 53 1.746 15.851 25.194 1.00 45.62 C +ATOM 208 OE1 GLU A 53 1.892 14.629 24.976 1.00 46.36 O +ATOM 209 OE2 GLU A 53 1.714 16.714 24.293 1.00 49.56 O +ATOM 210 N THR A 54 -0.273 17.282 29.586 1.00 34.29 N +ATOM 211 CA THR A 54 -0.656 18.643 29.963 1.00 30.40 C +ATOM 212 C THR A 54 -0.251 19.063 31.376 1.00 30.04 C +ATOM 213 O THR A 54 -0.488 20.202 31.777 1.00 31.95 O +ATOM 214 CB THR A 54 -2.171 18.853 29.804 1.00 28.35 C +ATOM 215 OG1 THR A 54 -2.870 17.845 30.540 1.00 30.01 O +ATOM 216 CG2 THR A 54 -2.566 18.777 28.352 1.00 23.37 C +ATOM 217 N LEU A 55 0.346 18.150 32.134 1.00 28.91 N +ATOM 218 CA LEU A 55 0.799 18.475 33.483 1.00 28.23 C +ATOM 219 C LEU A 55 2.331 18.333 33.597 1.00 29.07 C +ATOM 220 O LEU A 55 2.891 18.400 34.693 1.00 29.10 O +ATOM 221 CB LEU A 55 0.103 17.573 34.517 1.00 26.75 C +ATOM 222 CG LEU A 55 -1.397 17.792 34.791 1.00 29.57 C +ATOM 223 CD1 LEU A 55 -1.863 16.825 35.886 1.00 29.23 C +ATOM 224 CD2 LEU A 55 -1.666 19.237 35.220 1.00 26.11 C +ATOM 225 N TRP A 56 3.009 18.154 32.465 1.00 27.34 N +ATOM 226 CA TRP A 56 4.460 17.994 32.475 1.00 26.32 C +ATOM 227 C TRP A 56 5.227 19.235 32.919 1.00 26.75 C +ATOM 228 O TRP A 56 6.362 19.137 33.387 1.00 28.13 O +ATOM 229 CB TRP A 56 4.971 17.571 31.098 1.00 24.03 C +ATOM 230 CG TRP A 56 4.667 16.155 30.730 1.00 23.65 C +ATOM 231 CD1 TRP A 56 4.307 15.141 31.573 1.00 22.47 C +ATOM 232 CD2 TRP A 56 4.747 15.581 29.419 1.00 23.84 C +ATOM 233 NE1 TRP A 56 4.161 13.968 30.867 1.00 25.19 N +ATOM 234 CE2 TRP A 56 4.427 14.209 29.544 1.00 21.95 C +ATOM 235 CE3 TRP A 56 5.064 16.091 28.151 1.00 24.10 C +ATOM 236 CZ2 TRP A 56 4.409 13.343 28.450 1.00 20.97 C +ATOM 237 CZ3 TRP A 56 5.047 15.229 27.061 1.00 22.85 C +ATOM 238 CH2 TRP A 56 4.723 13.867 27.220 1.00 22.20 C +ATOM 239 N CYS A 57 4.612 20.401 32.766 1.00 26.22 N +ATOM 240 CA CYS A 57 5.258 21.644 33.152 1.00 23.92 C +ATOM 241 C CYS A 57 5.133 21.923 34.650 1.00 25.12 C +ATOM 242 O CYS A 57 5.669 22.911 35.150 1.00 23.17 O +ATOM 243 CB CYS A 57 4.679 22.803 32.342 1.00 21.59 C +ATOM 244 SG CYS A 57 5.385 23.001 30.665 1.00 27.97 S +ATOM 245 N ASP A 58 4.422 21.051 35.362 1.00 26.35 N +ATOM 246 CA ASP A 58 4.251 21.201 36.805 1.00 27.93 C +ATOM 247 C ASP A 58 5.391 20.470 37.500 1.00 28.05 C +ATOM 248 O ASP A 58 5.324 19.258 37.719 1.00 27.70 O +ATOM 249 CB ASP A 58 2.903 20.624 37.252 1.00 29.57 C +ATOM 250 CG ASP A 58 2.694 20.722 38.754 1.00 30.94 C +ATOM 251 OD1 ASP A 58 3.232 21.667 39.365 1.00 33.12 O +ATOM 252 OD2 ASP A 58 1.981 19.866 39.328 1.00 34.06 O +ATOM 253 N TRP A 59 6.436 21.221 37.837 1.00 28.53 N +ATOM 254 CA TRP A 59 7.624 20.677 38.483 1.00 27.00 C +ATOM 255 C TRP A 59 7.311 19.901 39.750 1.00 28.60 C +ATOM 256 O TRP A 59 8.035 18.975 40.112 1.00 27.85 O +ATOM 257 CB TRP A 59 8.608 21.808 38.770 1.00 26.34 C +ATOM 258 CG TRP A 59 9.034 22.516 37.502 1.00 28.03 C +ATOM 259 CD1 TRP A 59 8.821 23.829 37.177 1.00 25.95 C +ATOM 260 CD2 TRP A 59 9.694 21.927 36.369 1.00 26.99 C +ATOM 261 NE1 TRP A 59 9.306 24.090 35.913 1.00 27.15 N +ATOM 262 CE2 TRP A 59 9.845 22.942 35.396 1.00 25.59 C +ATOM 263 CE3 TRP A 59 10.172 20.640 36.084 1.00 27.98 C +ATOM 264 CZ2 TRP A 59 10.451 22.709 34.159 1.00 27.19 C +ATOM 265 CZ3 TRP A 59 10.778 20.409 34.848 1.00 28.14 C +ATOM 266 CH2 TRP A 59 10.910 21.440 33.902 1.00 25.38 C +ATOM 267 N GLY A 60 6.219 20.265 40.412 1.00 29.82 N +ATOM 268 CA GLY A 60 5.840 19.570 41.625 1.00 30.33 C +ATOM 269 C GLY A 60 5.484 18.128 41.327 1.00 30.98 C +ATOM 270 O GLY A 60 5.463 17.284 42.216 1.00 33.06 O +ATOM 271 N ARG A 61 5.210 17.842 40.062 1.00 30.98 N +ATOM 272 CA ARG A 61 4.836 16.499 39.659 1.00 29.21 C +ATOM 273 C ARG A 61 5.918 15.798 38.863 1.00 29.96 C +ATOM 274 O ARG A 61 6.028 14.574 38.889 1.00 30.63 O +ATOM 275 CB ARG A 61 3.563 16.555 38.824 1.00 27.92 C +ATOM 276 CG ARG A 61 2.301 16.670 39.641 1.00 31.34 C +ATOM 277 CD ARG A 61 1.095 16.880 38.749 1.00 34.94 C +ATOM 278 NE ARG A 61 -0.152 16.712 39.486 1.00 37.13 N +ATOM 279 CZ ARG A 61 -1.220 17.482 39.327 1.00 40.10 C +ATOM 280 NH1 ARG A 61 -1.191 18.481 38.458 1.00 45.27 N +ATOM 281 NH2 ARG A 61 -2.320 17.253 40.030 1.00 41.79 N +ATOM 282 N THR A 62 6.734 16.582 38.176 1.00 29.91 N +ATOM 283 CA THR A 62 7.771 16.022 37.326 1.00 29.48 C +ATOM 284 C THR A 62 9.213 16.172 37.794 1.00 30.21 C +ATOM 285 O THR A 62 10.107 15.569 37.197 1.00 30.91 O +ATOM 286 CB THR A 62 7.664 16.624 35.917 1.00 27.97 C +ATOM 287 OG1 THR A 62 7.805 18.046 36.000 1.00 30.88 O +ATOM 288 CG2 THR A 62 6.309 16.313 35.311 1.00 27.25 C +ATOM 289 N ILE A 63 9.450 16.945 38.853 1.00 30.42 N +ATOM 290 CA ILE A 63 10.818 17.153 39.318 1.00 31.02 C +ATOM 291 C ILE A 63 11.530 15.854 39.713 1.00 32.74 C +ATOM 292 O ILE A 63 12.684 15.633 39.329 1.00 32.74 O +ATOM 293 CB ILE A 63 10.883 18.199 40.474 1.00 30.76 C +ATOM 294 CG1 ILE A 63 12.302 18.758 40.568 1.00 32.80 C +ATOM 295 CG2 ILE A 63 10.479 17.589 41.804 1.00 30.03 C +ATOM 296 CD1 ILE A 63 12.770 19.436 39.277 1.00 33.15 C +ATOM 297 N ARG A 64 10.844 14.986 40.449 1.00 32.60 N +ATOM 298 CA ARG A 64 11.441 13.720 40.844 1.00 33.71 C +ATOM 299 C ARG A 64 11.958 13.005 39.597 1.00 35.19 C +ATOM 300 O ARG A 64 13.125 12.615 39.525 1.00 37.11 O +ATOM 301 CB ARG A 64 10.412 12.824 41.532 1.00 33.72 C +ATOM 302 CG ARG A 64 10.990 11.503 42.016 1.00 35.07 C +ATOM 303 CD ARG A 64 9.913 10.510 42.381 1.00 39.52 C +ATOM 304 NE ARG A 64 9.240 10.007 41.189 1.00 50.07 N +ATOM 305 CZ ARG A 64 9.835 9.280 40.245 1.00 52.90 C +ATOM 306 NH1 ARG A 64 11.121 8.962 40.354 1.00 55.61 N +ATOM 307 NH2 ARG A 64 9.148 8.875 39.184 1.00 53.61 N +ATOM 308 N SER A 65 11.074 12.836 38.618 1.00 34.97 N +ATOM 309 CA SER A 65 11.416 12.164 37.372 1.00 32.43 C +ATOM 310 C SER A 65 12.553 12.832 36.621 1.00 31.87 C +ATOM 311 O SER A 65 13.375 12.152 36.017 1.00 31.71 O +ATOM 312 CB SER A 65 10.192 12.085 36.464 1.00 32.32 C +ATOM 313 OG SER A 65 9.260 11.144 36.954 1.00 33.68 O +ATOM 314 N TYR A 66 12.592 14.160 36.646 1.00 32.84 N +ATOM 315 CA TYR A 66 13.646 14.895 35.950 1.00 34.80 C +ATOM 316 C TYR A 66 14.989 14.614 36.624 1.00 34.36 C +ATOM 317 O TYR A 66 16.004 14.425 35.951 1.00 33.94 O +ATOM 318 CB TYR A 66 13.361 16.403 35.973 1.00 34.27 C +ATOM 319 CG TYR A 66 14.295 17.221 35.097 1.00 33.30 C +ATOM 320 CD1 TYR A 66 14.047 17.379 33.730 1.00 34.81 C +ATOM 321 CD2 TYR A 66 15.428 17.833 35.630 1.00 33.79 C +ATOM 322 CE1 TYR A 66 14.903 18.128 32.916 1.00 32.03 C +ATOM 323 CE2 TYR A 66 16.291 18.582 34.827 1.00 31.91 C +ATOM 324 CZ TYR A 66 16.022 18.724 33.474 1.00 33.10 C +ATOM 325 OH TYR A 66 16.874 19.460 32.684 1.00 35.42 O +ATOM 326 N ARG A 67 14.971 14.598 37.955 1.00 33.70 N +ATOM 327 CA ARG A 67 16.150 14.330 38.769 1.00 34.26 C +ATOM 328 C ARG A 67 16.646 12.909 38.507 1.00 33.37 C +ATOM 329 O ARG A 67 17.847 12.668 38.391 1.00 33.14 O +ATOM 330 CB ARG A 67 15.792 14.495 40.251 1.00 37.11 C +ATOM 331 CG ARG A 67 16.848 14.023 41.260 1.00 42.58 C +ATOM 332 CD ARG A 67 18.043 14.966 41.338 1.00 46.46 C +ATOM 333 NE ARG A 67 18.849 14.752 42.543 1.00 49.87 N +ATOM 334 CZ ARG A 67 18.428 14.966 43.789 1.00 52.99 C +ATOM 335 NH1 ARG A 67 17.191 15.405 44.017 1.00 49.16 N +ATOM 336 NH2 ARG A 67 19.256 14.755 44.809 1.00 52.77 N +ATOM 337 N GLU A 68 15.717 11.968 38.405 1.00 33.46 N +ATOM 338 CA GLU A 68 16.073 10.575 38.159 1.00 34.22 C +ATOM 339 C GLU A 68 16.745 10.397 36.802 1.00 32.00 C +ATOM 340 O GLU A 68 17.732 9.668 36.680 1.00 30.27 O +ATOM 341 CB GLU A 68 14.827 9.696 38.226 1.00 39.18 C +ATOM 342 CG GLU A 68 15.060 8.416 38.988 1.00 49.13 C +ATOM 343 CD GLU A 68 15.611 8.684 40.379 1.00 54.52 C +ATOM 344 OE1 GLU A 68 14.925 9.375 41.174 1.00 54.71 O +ATOM 345 OE2 GLU A 68 16.733 8.208 40.670 1.00 55.55 O +ATOM 346 N LEU A 69 16.195 11.059 35.786 1.00 29.79 N +ATOM 347 CA LEU A 69 16.736 10.990 34.436 1.00 29.75 C +ATOM 348 C LEU A 69 18.176 11.517 34.411 1.00 30.39 C +ATOM 349 O LEU A 69 19.072 10.879 33.856 1.00 32.28 O +ATOM 350 CB LEU A 69 15.866 11.816 33.482 1.00 28.20 C +ATOM 351 CG LEU A 69 16.307 11.866 32.011 1.00 29.81 C +ATOM 352 CD1 LEU A 69 16.115 10.495 31.366 1.00 27.29 C +ATOM 353 CD2 LEU A 69 15.504 12.921 31.260 1.00 27.06 C +ATOM 354 N ALA A 70 18.385 12.684 35.017 1.00 29.88 N +ATOM 355 CA ALA A 70 19.700 13.312 35.074 1.00 29.81 C +ATOM 356 C ALA A 70 20.706 12.431 35.806 1.00 31.84 C +ATOM 357 O ALA A 70 21.840 12.277 35.349 1.00 33.76 O +ATOM 358 CB ALA A 70 19.602 14.668 35.751 1.00 26.06 C +ATOM 359 N ASP A 71 20.302 11.854 36.936 1.00 33.02 N +ATOM 360 CA ASP A 71 21.200 10.977 37.690 1.00 36.00 C +ATOM 361 C ASP A 71 21.595 9.787 36.824 1.00 35.55 C +ATOM 362 O ASP A 71 22.744 9.346 36.830 1.00 36.24 O +ATOM 363 CB ASP A 71 20.535 10.459 38.974 1.00 37.02 C +ATOM 364 CG ASP A 71 20.329 11.549 40.015 1.00 43.06 C +ATOM 365 OD1 ASP A 71 20.958 12.625 39.893 1.00 44.38 O +ATOM 366 OD2 ASP A 71 19.545 11.324 40.966 1.00 45.29 O +ATOM 367 N CYS A 72 20.629 9.277 36.074 1.00 33.94 N +ATOM 368 CA CYS A 72 20.861 8.138 35.203 1.00 35.04 C +ATOM 369 C CYS A 72 21.861 8.458 34.087 1.00 33.88 C +ATOM 370 O CYS A 72 22.756 7.661 33.797 1.00 34.37 O +ATOM 371 CB CYS A 72 19.527 7.678 34.612 1.00 35.52 C +ATOM 372 SG CYS A 72 19.586 6.159 33.616 1.00 40.36 S +ATOM 373 N THR A 73 21.718 9.617 33.457 1.00 31.50 N +ATOM 374 CA THR A 73 22.644 9.975 32.396 1.00 30.42 C +ATOM 375 C THR A 73 24.029 10.169 33.008 1.00 32.41 C +ATOM 376 O THR A 73 25.049 9.887 32.372 1.00 33.89 O +ATOM 377 CB THR A 73 22.217 11.274 31.689 1.00 29.13 C +ATOM 378 OG1 THR A 73 22.301 12.374 32.606 1.00 26.91 O +ATOM 379 CG2 THR A 73 20.790 11.144 31.168 1.00 28.39 C +ATOM 380 N TRP A 74 24.053 10.651 34.250 1.00 33.13 N +ATOM 381 CA TRP A 74 25.298 10.888 34.975 1.00 35.79 C +ATOM 382 C TRP A 74 25.939 9.560 35.365 1.00 37.09 C +ATOM 383 O TRP A 74 27.135 9.350 35.140 1.00 35.95 O +ATOM 384 CB TRP A 74 25.019 11.753 36.209 1.00 36.68 C +ATOM 385 CG TRP A 74 26.029 11.636 37.309 1.00 39.49 C +ATOM 386 CD1 TRP A 74 25.844 11.047 38.527 1.00 38.45 C +ATOM 387 CD2 TRP A 74 27.383 12.109 37.294 1.00 40.16 C +ATOM 388 NE1 TRP A 74 26.993 11.123 39.271 1.00 39.47 N +ATOM 389 CE2 TRP A 74 27.954 11.770 38.541 1.00 40.31 C +ATOM 390 CE3 TRP A 74 28.168 12.785 36.350 1.00 41.81 C +ATOM 391 CZ2 TRP A 74 29.279 12.084 38.868 1.00 40.48 C +ATOM 392 CZ3 TRP A 74 29.489 13.098 36.677 1.00 40.58 C +ATOM 393 CH2 TRP A 74 30.028 12.746 37.927 1.00 41.84 C +ATOM 394 N HIS A 75 25.140 8.660 35.933 1.00 39.77 N +ATOM 395 CA HIS A 75 25.640 7.344 36.319 1.00 42.09 C +ATOM 396 C HIS A 75 26.176 6.605 35.097 1.00 40.49 C +ATOM 397 O HIS A 75 27.259 6.022 35.141 1.00 40.59 O +ATOM 398 CB HIS A 75 24.537 6.501 36.971 1.00 46.71 C +ATOM 399 CG HIS A 75 24.139 6.972 38.335 1.00 52.91 C +ATOM 400 ND1 HIS A 75 25.003 7.650 39.171 1.00 56.38 N +ATOM 401 CD2 HIS A 75 22.980 6.836 39.023 1.00 55.42 C +ATOM 402 CE1 HIS A 75 24.392 7.912 40.312 1.00 58.17 C +ATOM 403 NE2 HIS A 75 23.163 7.428 40.249 1.00 58.09 N +ATOM 412 N ALA A 77 27.364 7.820 32.507 1.00 36.42 N +ATOM 413 CA ALA A 77 28.596 8.484 32.089 1.00 35.03 C +ATOM 414 C ALA A 77 29.770 8.010 32.943 1.00 35.20 C +ATOM 415 O ALA A 77 30.869 7.796 32.434 1.00 32.81 O +ATOM 416 CB ALA A 77 28.444 9.989 32.196 1.00 33.57 C +ATOM 417 N GLU A 78 29.546 7.854 34.244 1.00 37.36 N +ATOM 418 CA GLU A 78 30.607 7.371 35.119 1.00 41.22 C +ATOM 419 C GLU A 78 30.949 5.958 34.681 1.00 43.65 C +ATOM 420 O GLU A 78 32.097 5.662 34.348 1.00 44.69 O +ATOM 421 CB GLU A 78 30.149 7.341 36.572 1.00 42.96 C +ATOM 422 CG GLU A 78 29.895 8.694 37.174 1.00 46.44 C +ATOM 423 CD GLU A 78 29.678 8.605 38.663 1.00 51.95 C +ATOM 424 OE1 GLU A 78 30.651 8.292 39.382 1.00 54.62 O +ATOM 425 OE2 GLU A 78 28.535 8.836 39.116 1.00 56.76 O +ATOM 426 N LYS A 79 29.937 5.092 34.684 1.00 44.64 N +ATOM 427 CA LYS A 79 30.101 3.706 34.269 1.00 45.12 C +ATOM 428 C LYS A 79 30.983 3.594 33.033 1.00 43.16 C +ATOM 429 O LYS A 79 32.004 2.917 33.057 1.00 44.46 O +ATOM 430 CB LYS A 79 28.738 3.075 33.971 1.00 49.46 C +ATOM 431 CG LYS A 79 28.012 2.531 35.193 1.00 56.79 C +ATOM 432 CD LYS A 79 28.706 1.290 35.754 1.00 61.63 C +ATOM 433 CE LYS A 79 28.664 0.124 34.763 1.00 63.99 C +ATOM 434 NZ LYS A 79 29.375 -1.090 35.272 1.00 63.48 N +ATOM 435 N LEU A 80 30.596 4.268 31.956 1.00 40.20 N +ATOM 436 CA LEU A 80 31.365 4.206 30.720 1.00 38.12 C +ATOM 437 C LEU A 80 32.619 5.084 30.705 1.00 37.45 C +ATOM 438 O LEU A 80 33.404 5.048 29.755 1.00 34.96 O +ATOM 439 CB LEU A 80 30.466 4.549 29.528 1.00 36.57 C +ATOM 440 CG LEU A 80 29.260 3.628 29.303 1.00 37.74 C +ATOM 441 CD1 LEU A 80 28.795 3.736 27.859 1.00 35.91 C +ATOM 442 CD2 LEU A 80 29.644 2.188 29.606 1.00 38.14 C +ATOM 443 N GLY A 81 32.809 5.867 31.760 1.00 37.09 N +ATOM 444 CA GLY A 81 33.971 6.735 31.831 1.00 35.92 C +ATOM 445 C GLY A 81 33.968 7.846 30.796 1.00 36.53 C +ATOM 446 O GLY A 81 35.025 8.241 30.311 1.00 36.25 O +ATOM 447 N CYS A 82 32.783 8.348 30.456 1.00 36.26 N +ATOM 448 CA CYS A 82 32.654 9.422 29.476 1.00 35.52 C +ATOM 449 C CYS A 82 33.096 10.712 30.115 1.00 34.27 C +ATOM 450 O CYS A 82 33.387 10.749 31.310 1.00 34.74 O +ATOM 451 CB CYS A 82 31.195 9.584 29.029 1.00 38.47 C +ATOM 452 SG CYS A 82 30.507 8.107 28.230 1.00 44.55 S +ATOM 453 N PHE A 83 33.154 11.770 29.317 1.00 32.39 N +ATOM 454 CA PHE A 83 33.516 13.077 29.836 1.00 29.73 C +ATOM 455 C PHE A 83 32.220 13.681 30.380 1.00 29.62 C +ATOM 456 O PHE A 83 31.127 13.183 30.098 1.00 29.49 O +ATOM 457 CB PHE A 83 34.066 13.978 28.726 1.00 28.12 C +ATOM 458 CG PHE A 83 35.408 13.555 28.198 1.00 29.09 C +ATOM 459 CD1 PHE A 83 36.477 13.338 29.064 1.00 28.54 C +ATOM 460 CD2 PHE A 83 35.615 13.413 26.829 1.00 29.03 C +ATOM 461 CE1 PHE A 83 37.735 12.989 28.574 1.00 27.90 C +ATOM 462 CE2 PHE A 83 36.871 13.062 26.327 1.00 29.58 C +ATOM 463 CZ PHE A 83 37.933 12.850 27.202 1.00 26.63 C +ATOM 464 N TRP A 84 32.337 14.743 31.163 1.00 28.00 N +ATOM 465 CA TRP A 84 31.161 15.395 31.701 1.00 26.37 C +ATOM 466 C TRP A 84 31.409 16.894 31.763 1.00 27.48 C +ATOM 467 O TRP A 84 32.333 17.352 32.428 1.00 30.08 O +ATOM 468 CB TRP A 84 30.824 14.843 33.089 1.00 24.79 C +ATOM 469 CG TRP A 84 29.484 15.303 33.570 1.00 26.71 C +ATOM 470 CD1 TRP A 84 29.218 16.398 34.350 1.00 25.35 C +ATOM 471 CD2 TRP A 84 28.209 14.730 33.233 1.00 24.64 C +ATOM 472 NE1 TRP A 84 27.859 16.542 34.511 1.00 26.70 N +ATOM 473 CE2 TRP A 84 27.217 15.536 33.836 1.00 25.24 C +ATOM 474 CE3 TRP A 84 27.809 13.622 32.470 1.00 22.97 C +ATOM 475 CZ2 TRP A 84 25.847 15.258 33.708 1.00 25.49 C +ATOM 476 CZ3 TRP A 84 26.447 13.348 32.341 1.00 21.48 C +ATOM 477 CH2 TRP A 84 25.485 14.165 32.954 1.00 21.50 C +ATOM 478 N PRO A 85 30.618 17.675 31.012 1.00 27.12 N +ATOM 479 CA PRO A 85 29.551 17.160 30.144 1.00 25.94 C +ATOM 480 C PRO A 85 30.144 16.593 28.848 1.00 27.64 C +ATOM 481 O PRO A 85 31.361 16.438 28.722 1.00 26.21 O +ATOM 482 CB PRO A 85 28.697 18.399 29.891 1.00 24.63 C +ATOM 483 CG PRO A 85 29.731 19.504 29.870 1.00 21.34 C +ATOM 484 CD PRO A 85 30.615 19.151 31.044 1.00 23.29 C +ATOM 485 N ASN A 86 29.279 16.281 27.890 1.00 27.84 N +ATOM 486 CA ASN A 86 29.719 15.769 26.598 1.00 26.02 C +ATOM 487 C ASN A 86 28.612 16.037 25.583 1.00 27.11 C +ATOM 488 O ASN A 86 27.436 16.156 25.948 1.00 28.54 O +ATOM 489 CB ASN A 86 30.052 14.275 26.698 1.00 22.74 C +ATOM 490 CG ASN A 86 28.880 13.445 27.145 1.00 24.40 C +ATOM 491 OD1 ASN A 86 27.919 13.262 26.403 1.00 23.62 O +ATOM 492 ND2 ASN A 86 28.948 12.936 28.370 1.00 25.71 N +ATOM 493 N ALA A 87 28.985 16.142 24.312 1.00 25.48 N +ATOM 494 CA ALA A 87 28.024 16.448 23.258 1.00 24.27 C +ATOM 495 C ALA A 87 26.790 15.557 23.210 1.00 24.33 C +ATOM 496 O ALA A 87 25.692 16.028 22.918 1.00 27.34 O +ATOM 497 CB ALA A 87 28.726 16.448 21.899 1.00 21.41 C +ATOM 498 N GLU A 88 26.962 14.277 23.505 1.00 24.45 N +ATOM 499 CA GLU A 88 25.852 13.339 23.463 1.00 24.74 C +ATOM 500 C GLU A 88 24.789 13.647 24.518 1.00 25.42 C +ATOM 501 O GLU A 88 23.612 13.798 24.188 1.00 23.00 O +ATOM 502 CB GLU A 88 26.379 11.909 23.632 1.00 27.01 C +ATOM 503 CG GLU A 88 25.365 10.820 23.353 1.00 30.87 C +ATOM 504 CD GLU A 88 24.760 10.931 21.966 1.00 35.10 C +ATOM 505 OE1 GLU A 88 25.533 11.038 20.986 1.00 35.14 O +ATOM 506 OE2 GLU A 88 23.513 10.909 21.858 1.00 38.39 O +ATOM 507 N VAL A 89 25.194 13.750 25.782 1.00 24.62 N +ATOM 508 CA VAL A 89 24.232 14.036 26.836 1.00 26.53 C +ATOM 509 C VAL A 89 23.621 15.422 26.623 1.00 27.45 C +ATOM 510 O VAL A 89 22.444 15.648 26.925 1.00 25.71 O +ATOM 511 CB VAL A 89 24.882 13.952 28.251 1.00 29.53 C +ATOM 512 CG1 VAL A 89 25.956 15.020 28.419 1.00 29.25 C +ATOM 513 CG2 VAL A 89 23.802 14.111 29.317 1.00 30.93 C +ATOM 514 N ASP A 90 24.439 16.338 26.104 1.00 27.77 N +ATOM 515 CA ASP A 90 24.016 17.701 25.799 1.00 26.64 C +ATOM 516 C ASP A 90 22.816 17.647 24.872 1.00 25.69 C +ATOM 517 O ASP A 90 21.777 18.257 25.135 1.00 27.12 O +ATOM 518 CB ASP A 90 25.139 18.453 25.084 1.00 28.28 C +ATOM 519 CG ASP A 90 25.953 19.326 26.016 1.00 31.06 C +ATOM 520 OD1 ASP A 90 25.799 19.195 27.256 1.00 33.14 O +ATOM 521 OD2 ASP A 90 26.753 20.138 25.497 1.00 28.08 O +ATOM 522 N ARG A 91 22.979 16.908 23.781 1.00 23.35 N +ATOM 523 CA ARG A 91 21.931 16.758 22.784 1.00 24.77 C +ATOM 524 C ARG A 91 20.729 16.004 23.342 1.00 24.55 C +ATOM 525 O ARG A 91 19.586 16.295 22.989 1.00 24.56 O +ATOM 526 CB ARG A 91 22.484 16.022 21.566 1.00 23.52 C +ATOM 527 CG ARG A 91 21.536 15.955 20.388 1.00 25.86 C +ATOM 528 CD ARG A 91 22.243 15.365 19.175 1.00 29.25 C +ATOM 529 NE ARG A 91 22.696 13.992 19.408 1.00 30.99 N +ATOM 530 CZ ARG A 91 23.325 13.251 18.499 1.00 30.60 C +ATOM 531 NH1 ARG A 91 23.583 13.745 17.296 1.00 28.10 N +ATOM 532 NH2 ARG A 91 23.685 12.009 18.785 1.00 31.57 N +ATOM 533 N PHE A 92 20.995 15.034 24.211 1.00 25.82 N +ATOM 534 CA PHE A 92 19.939 14.232 24.821 1.00 26.86 C +ATOM 535 C PHE A 92 18.979 15.121 25.590 1.00 27.68 C +ATOM 536 O PHE A 92 17.773 15.056 25.389 1.00 30.04 O +ATOM 537 CB PHE A 92 20.539 13.207 25.782 1.00 27.65 C +ATOM 538 CG PHE A 92 19.529 12.279 26.385 1.00 27.90 C +ATOM 539 CD1 PHE A 92 19.039 11.199 25.659 1.00 29.18 C +ATOM 540 CD2 PHE A 92 19.074 12.474 27.686 1.00 27.58 C +ATOM 541 CE1 PHE A 92 18.111 10.322 26.219 1.00 29.00 C +ATOM 542 CE2 PHE A 92 18.143 11.601 28.258 1.00 28.79 C +ATOM 543 CZ PHE A 92 17.663 10.523 27.526 1.00 27.75 C +ATOM 544 N PHE A 93 19.518 15.955 26.474 1.00 29.51 N +ATOM 545 CA PHE A 93 18.678 16.844 27.264 1.00 29.13 C +ATOM 546 C PHE A 93 18.004 17.904 26.418 1.00 28.88 C +ATOM 547 O PHE A 93 16.896 18.343 26.731 1.00 29.45 O +ATOM 548 CB PHE A 93 19.484 17.471 28.405 1.00 29.41 C +ATOM 549 CG PHE A 93 19.453 16.652 29.658 1.00 29.48 C +ATOM 550 CD1 PHE A 93 18.307 16.627 30.450 1.00 29.15 C +ATOM 551 CD2 PHE A 93 20.507 15.803 29.977 1.00 31.80 C +ATOM 552 CE1 PHE A 93 18.204 15.762 31.539 1.00 30.08 C +ATOM 553 CE2 PHE A 93 20.417 14.927 31.068 1.00 30.98 C +ATOM 554 CZ PHE A 93 19.261 14.904 31.848 1.00 31.02 C +ATOM 555 N LEU A 94 18.653 18.305 25.333 1.00 27.49 N +ATOM 556 CA LEU A 94 18.036 19.289 24.468 1.00 28.16 C +ATOM 557 C LEU A 94 16.744 18.658 23.944 1.00 27.70 C +ATOM 558 O LEU A 94 15.705 19.317 23.853 1.00 28.73 O +ATOM 559 CB LEU A 94 18.958 19.642 23.302 1.00 29.51 C +ATOM 560 CG LEU A 94 18.978 21.149 23.030 1.00 30.85 C +ATOM 561 CD1 LEU A 94 19.718 21.831 24.169 1.00 29.78 C +ATOM 562 CD2 LEU A 94 19.648 21.454 21.711 1.00 32.30 C +ATOM 563 N ALA A 95 16.822 17.369 23.625 1.00 25.96 N +ATOM 564 CA ALA A 95 15.688 16.618 23.107 1.00 24.20 C +ATOM 565 C ALA A 95 14.560 16.465 24.137 1.00 24.97 C +ATOM 566 O ALA A 95 13.380 16.662 23.815 1.00 23.69 O +ATOM 567 CB ALA A 95 16.155 15.256 22.639 1.00 22.12 C +ATOM 568 N VAL A 96 14.922 16.115 25.370 1.00 22.11 N +ATOM 569 CA VAL A 96 13.937 15.949 26.427 1.00 19.13 C +ATOM 570 C VAL A 96 13.205 17.260 26.673 1.00 20.92 C +ATOM 571 O VAL A 96 11.987 17.278 26.870 1.00 20.45 O +ATOM 572 CB VAL A 96 14.606 15.476 27.737 1.00 19.99 C +ATOM 573 CG1 VAL A 96 13.615 15.537 28.894 1.00 20.76 C +ATOM 574 CG2 VAL A 96 15.096 14.058 27.571 1.00 18.64 C +ATOM 575 N HIS A 97 13.953 18.360 26.660 1.00 23.07 N +ATOM 576 CA HIS A 97 13.368 19.681 26.872 1.00 23.41 C +ATOM 577 C HIS A 97 12.444 20.030 25.718 1.00 23.80 C +ATOM 578 O HIS A 97 11.331 20.516 25.932 1.00 24.03 O +ATOM 579 CB HIS A 97 14.458 20.744 26.985 1.00 22.84 C +ATOM 580 CG HIS A 97 15.210 20.704 28.276 1.00 25.65 C +ATOM 581 ND1 HIS A 97 16.140 21.659 28.625 1.00 26.15 N +ATOM 582 CD2 HIS A 97 15.166 19.827 29.308 1.00 24.36 C +ATOM 583 CE1 HIS A 97 16.634 21.374 29.815 1.00 24.33 C +ATOM 584 NE2 HIS A 97 16.060 20.267 30.252 1.00 24.28 N +ATOM 585 N GLY A 98 12.913 19.774 24.499 1.00 22.12 N +ATOM 586 CA GLY A 98 12.122 20.061 23.322 1.00 24.39 C +ATOM 587 C GLY A 98 10.810 19.296 23.226 1.00 28.40 C +ATOM 588 O GLY A 98 9.896 19.752 22.541 1.00 32.33 O +ATOM 589 N ARG A 99 10.698 18.147 23.893 1.00 29.53 N +ATOM 590 CA ARG A 99 9.467 17.366 23.823 1.00 29.93 C +ATOM 591 C ARG A 99 8.618 17.360 25.089 1.00 28.79 C +ATOM 592 O ARG A 99 7.400 17.445 25.018 1.00 30.30 O +ATOM 593 CB ARG A 99 9.760 15.909 23.451 1.00 35.58 C +ATOM 594 CG ARG A 99 8.494 15.144 23.055 1.00 41.46 C +ATOM 595 CD ARG A 99 8.410 13.733 23.626 1.00 46.70 C +ATOM 596 NE ARG A 99 9.285 12.775 22.954 1.00 52.51 N +ATOM 597 CZ ARG A 99 8.940 11.517 22.673 1.00 56.84 C +ATOM 598 NH1 ARG A 99 7.732 11.058 22.998 1.00 54.62 N +ATOM 599 NH2 ARG A 99 9.809 10.708 22.078 1.00 57.03 N +ATOM 600 N TYR A 100 9.249 17.247 26.249 1.00 29.19 N +ATOM 601 CA TYR A 100 8.500 17.198 27.500 1.00 27.86 C +ATOM 602 C TYR A 100 8.325 18.523 28.211 1.00 28.61 C +ATOM 603 O TYR A 100 7.297 18.763 28.826 1.00 29.25 O +ATOM 604 CB TYR A 100 9.169 16.217 28.450 1.00 27.52 C +ATOM 605 CG TYR A 100 9.215 14.820 27.899 1.00 29.01 C +ATOM 606 CD1 TYR A 100 8.167 13.932 28.114 1.00 26.90 C +ATOM 607 CD2 TYR A 100 10.291 14.399 27.118 1.00 29.64 C +ATOM 608 CE1 TYR A 100 8.187 12.662 27.565 1.00 30.79 C +ATOM 609 CE2 TYR A 100 10.320 13.136 26.564 1.00 30.46 C +ATOM 610 CZ TYR A 100 9.265 12.269 26.788 1.00 30.61 C +ATOM 611 OH TYR A 100 9.286 11.016 26.220 1.00 33.84 O +ATOM 612 N PHE A 101 9.315 19.398 28.114 1.00 29.47 N +ATOM 613 CA PHE A 101 9.232 20.669 28.811 1.00 30.11 C +ATOM 614 C PHE A 101 9.249 21.868 27.891 1.00 31.15 C +ATOM 615 O PHE A 101 10.174 22.671 27.896 1.00 33.30 O +ATOM 616 CB PHE A 101 10.363 20.733 29.828 1.00 28.18 C +ATOM 617 CG PHE A 101 10.449 19.508 30.683 1.00 28.97 C +ATOM 618 CD1 PHE A 101 9.401 19.171 31.547 1.00 28.27 C +ATOM 619 CD2 PHE A 101 11.544 18.652 30.591 1.00 29.30 C +ATOM 620 CE1 PHE A 101 9.447 17.998 32.306 1.00 29.72 C +ATOM 621 CE2 PHE A 101 11.597 17.470 31.351 1.00 28.98 C +ATOM 622 CZ PHE A 101 10.549 17.145 32.205 1.00 27.80 C +ATOM 623 N ARG A 102 8.188 21.990 27.110 1.00 35.53 N +ATOM 624 CA ARG A 102 8.060 23.083 26.169 1.00 39.35 C +ATOM 625 C ARG A 102 7.023 24.094 26.684 1.00 38.08 C +ATOM 626 O ARG A 102 5.899 23.722 27.029 1.00 39.30 O +ATOM 627 CB ARG A 102 7.653 22.515 24.795 1.00 41.87 C +ATOM 628 CG ARG A 102 8.019 23.410 23.612 1.00 50.13 C +ATOM 629 CD ARG A 102 7.832 22.730 22.240 1.00 52.69 C +ATOM 630 NE ARG A 102 6.445 22.363 21.965 1.00 55.50 N +ATOM 631 CZ ARG A 102 5.912 21.183 22.260 1.00 58.02 C +ATOM 632 NH1 ARG A 102 6.654 20.249 22.840 1.00 58.29 N +ATOM 633 NH2 ARG A 102 4.639 20.937 21.971 1.00 59.70 N +ATOM 634 N SER A 103 7.419 25.361 26.771 1.00 33.72 N +ATOM 635 CA SER A 103 6.513 26.421 27.206 1.00 33.36 C +ATOM 636 C SER A 103 6.090 26.364 28.672 1.00 32.85 C +ATOM 637 O SER A 103 4.970 26.744 29.020 1.00 30.97 O +ATOM 638 CB SER A 103 5.265 26.414 26.327 1.00 33.67 C +ATOM 639 OG SER A 103 5.620 26.411 24.956 1.00 38.84 O +ATOM 640 N CYS A 104 6.993 25.913 29.532 1.00 32.32 N +ATOM 641 CA CYS A 104 6.714 25.812 30.959 1.00 30.40 C +ATOM 642 C CYS A 104 6.872 27.173 31.639 1.00 30.38 C +ATOM 643 O CYS A 104 7.902 27.822 31.497 1.00 30.24 O +ATOM 644 CB CYS A 104 7.660 24.796 31.581 1.00 28.90 C +ATOM 645 SG CYS A 104 7.385 23.080 31.024 1.00 28.89 S +ATOM 646 N PRO A 105 5.851 27.617 32.398 1.00 30.73 N +ATOM 647 CA PRO A 105 5.878 28.910 33.095 1.00 31.23 C +ATOM 648 C PRO A 105 6.768 28.987 34.340 1.00 33.17 C +ATOM 649 O PRO A 105 7.128 27.974 34.939 1.00 31.67 O +ATOM 650 CB PRO A 105 4.404 29.144 33.477 1.00 27.86 C +ATOM 651 CG PRO A 105 3.630 28.116 32.721 1.00 28.02 C +ATOM 652 CD PRO A 105 4.562 26.946 32.625 1.00 30.13 C +ATOM 653 N ILE A 106 7.109 30.213 34.715 1.00 34.60 N +ATOM 654 CA ILE A 106 7.886 30.471 35.913 1.00 36.15 C +ATOM 655 C ILE A 106 6.873 31.103 36.875 1.00 39.57 C +ATOM 656 O ILE A 106 6.366 32.197 36.615 1.00 39.08 O +ATOM 657 CB ILE A 106 9.024 31.487 35.652 1.00 35.71 C +ATOM 658 CG1 ILE A 106 9.963 30.970 34.560 1.00 35.05 C +ATOM 659 CG2 ILE A 106 9.801 31.738 36.940 1.00 35.95 C +ATOM 660 CD1 ILE A 106 11.114 31.916 34.247 1.00 29.87 C +ATOM 661 N SER A 107 6.567 30.411 37.970 1.00 42.31 N +ATOM 662 CA SER A 107 5.606 30.909 38.959 1.00 45.66 C +ATOM 663 C SER A 107 5.738 32.408 39.254 1.00 49.22 C +ATOM 664 O SER A 107 4.712 33.031 39.613 1.00 50.34 O +ATOM 665 CB SER A 107 5.740 30.130 40.267 1.00 42.41 C +ATOM 666 OG SER A 107 6.989 30.395 40.869 1.00 39.77 O Added: SwiftApps/modFTdock/input/indata/2yx8-2.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2yx8-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2yx8-2.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,650 @@ +ATOM 1 N CYS A 27 34.939 8.141 26.097 1.00 61.68 N +ATOM 2 CA CYS A 27 34.305 6.810 26.338 1.00 61.01 C +ATOM 3 C CYS A 27 33.741 6.231 25.060 1.00 63.98 C +ATOM 4 O CYS A 27 33.961 6.755 23.970 1.00 63.63 O +ATOM 5 CB CYS A 27 33.143 6.934 27.318 1.00 56.61 C +ATOM 6 SG CYS A 27 31.731 7.869 26.631 1.00 47.29 S +ATOM 7 N GLN A 28 32.991 5.146 25.218 1.00 68.75 N +ATOM 8 CA GLN A 28 32.334 4.496 24.093 1.00 73.22 C +ATOM 9 C GLN A 28 31.154 5.416 23.768 1.00 73.73 C +ATOM 10 O GLN A 28 29.987 5.038 23.890 1.00 74.54 O +ATOM 11 CB GLN A 28 31.838 3.108 24.503 1.00 76.68 C +ATOM 12 CG GLN A 28 32.920 2.234 25.123 1.00 81.48 C +ATOM 13 CD GLN A 28 32.964 0.839 24.522 1.00 83.09 C +ATOM 14 OE1 GLN A 28 33.062 0.683 23.303 1.00 82.96 O +ATOM 15 NE2 GLN A 28 32.899 -0.182 25.375 1.00 82.87 N +ATOM 16 N GLU A 29 31.495 6.635 23.364 1.00 73.82 N +ATOM 17 CA GLU A 29 30.542 7.687 23.040 1.00 74.65 C +ATOM 18 C GLU A 29 29.297 7.293 22.246 1.00 73.55 C +ATOM 19 O GLU A 29 28.207 7.799 22.514 1.00 73.38 O +ATOM 20 CB GLU A 29 31.287 8.820 22.329 1.00 78.09 C +ATOM 21 CG GLU A 29 32.308 9.529 23.224 1.00 83.97 C +ATOM 22 CD GLU A 29 33.163 10.541 22.473 1.00 86.41 C +ATOM 23 OE1 GLU A 29 32.589 11.398 21.769 1.00 88.80 O +ATOM 24 OE2 GLU A 29 34.407 10.485 22.591 1.00 87.12 O +ATOM 25 N ALA A 30 29.446 6.399 21.275 1.00 72.70 N +ATOM 26 CA ALA A 30 28.304 5.975 20.464 1.00 69.70 C +ATOM 27 C ALA A 30 27.272 5.200 21.278 1.00 66.91 C +ATOM 28 O ALA A 30 26.109 5.609 21.376 1.00 67.16 O +ATOM 29 CB ALA A 30 28.779 5.120 19.294 1.00 72.24 C +ATOM 30 N ASN A 31 27.706 4.077 21.850 1.00 62.40 N +ATOM 31 CA ASN A 31 26.826 3.225 22.638 1.00 58.76 C +ATOM 32 C ASN A 31 26.400 3.890 23.938 1.00 54.31 C +ATOM 33 O ASN A 31 25.533 3.387 24.647 1.00 53.67 O +ATOM 34 CB ASN A 31 27.498 1.871 22.908 1.00 62.27 C +ATOM 35 CG ASN A 31 28.342 1.867 24.167 1.00 65.87 C +ATOM 36 OD1 ASN A 31 29.248 2.679 24.316 1.00 66.87 O +ATOM 37 ND2 ASN A 31 28.048 0.938 25.081 1.00 65.53 N +ATOM 38 N TYR A 32 27.019 5.019 24.257 1.00 48.72 N +ATOM 39 CA TYR A 32 26.645 5.753 25.454 1.00 43.67 C +ATOM 40 C TYR A 32 25.280 6.377 25.157 1.00 43.16 C +ATOM 41 O TYR A 32 24.404 6.439 26.021 1.00 42.14 O +ATOM 42 CB TYR A 32 27.672 6.847 25.766 1.00 38.47 C +ATOM 43 CG TYR A 32 27.198 7.842 26.800 1.00 35.36 C +ATOM 44 CD1 TYR A 32 26.894 7.436 28.099 1.00 34.21 C +ATOM 45 CD2 TYR A 32 27.031 9.188 26.475 1.00 31.93 C +ATOM 46 CE1 TYR A 32 26.436 8.340 29.050 1.00 30.55 C +ATOM 47 CE2 TYR A 32 26.569 10.103 27.425 1.00 31.91 C +ATOM 48 CZ TYR A 32 26.277 9.668 28.709 1.00 31.49 C +ATOM 49 OH TYR A 32 25.840 10.559 29.662 1.00 35.30 O +ATOM 50 N GLY A 33 25.110 6.827 23.917 1.00 43.03 N +ATOM 51 CA GLY A 33 23.855 7.428 23.503 1.00 42.48 C +ATOM 52 C GLY A 33 22.719 6.422 23.438 1.00 40.90 C +ATOM 53 O GLY A 33 21.588 6.726 23.812 1.00 40.66 O +ATOM 54 N ALA A 34 23.012 5.220 22.958 1.00 40.45 N +ATOM 55 CA ALA A 34 21.994 4.180 22.871 1.00 40.50 C +ATOM 56 C ALA A 34 21.534 3.866 24.291 1.00 39.69 C +ATOM 57 O ALA A 34 20.335 3.799 24.584 1.00 39.44 O +ATOM 58 CB ALA A 34 22.575 2.933 22.219 1.00 39.00 C +ATOM 59 N LEU A 35 22.517 3.694 25.167 1.00 38.14 N +ATOM 60 CA LEU A 35 22.297 3.382 26.570 1.00 37.24 C +ATOM 61 C LEU A 35 21.422 4.441 27.246 1.00 37.18 C +ATOM 62 O LEU A 35 20.601 4.128 28.108 1.00 38.96 O +ATOM 63 CB LEU A 35 23.654 3.287 27.267 1.00 35.44 C +ATOM 64 CG LEU A 35 23.757 2.487 28.560 1.00 39.69 C +ATOM 65 CD1 LEU A 35 23.143 1.101 28.370 1.00 39.38 C +ATOM 66 CD2 LEU A 35 25.225 2.374 28.954 1.00 39.30 C +ATOM 67 N LEU A 36 21.598 5.694 26.842 1.00 36.41 N +ATOM 68 CA LEU A 36 20.832 6.803 27.398 1.00 33.78 C +ATOM 69 C LEU A 36 19.352 6.706 27.052 1.00 33.47 C +ATOM 70 O LEU A 36 18.500 7.067 27.852 1.00 33.79 O +ATOM 71 CB LEU A 36 21.392 8.131 26.872 1.00 32.30 C +ATOM 72 CG LEU A 36 22.130 9.090 27.814 1.00 30.60 C +ATOM 73 CD1 LEU A 36 22.969 8.328 28.830 1.00 30.80 C +ATOM 74 CD2 LEU A 36 22.993 10.024 26.973 1.00 29.11 C +ATOM 75 N ARG A 37 19.041 6.220 25.858 1.00 35.38 N +ATOM 76 CA ARG A 37 17.649 6.121 25.444 1.00 39.37 C +ATOM 77 C ARG A 37 17.044 4.792 25.866 1.00 40.04 C +ATOM 78 O ARG A 37 15.900 4.732 26.323 1.00 40.22 O +ATOM 79 CB ARG A 37 17.537 6.301 23.923 1.00 39.85 C +ATOM 80 CG ARG A 37 18.256 7.550 23.418 1.00 46.81 C +ATOM 81 CD ARG A 37 17.998 7.868 21.948 1.00 50.83 C +ATOM 82 NE ARG A 37 16.738 8.579 21.724 1.00 55.62 N +ATOM 83 CZ ARG A 37 15.542 7.997 21.661 1.00 57.85 C +ATOM 84 NH1 ARG A 37 15.433 6.682 21.803 1.00 58.33 N +ATOM 85 NH2 ARG A 37 14.453 8.727 21.450 1.00 57.99 N +ATOM 86 N GLU A 38 17.829 3.732 25.727 1.00 39.83 N +ATOM 87 CA GLU A 38 17.382 2.393 26.069 1.00 41.11 C +ATOM 88 C GLU A 38 17.141 2.190 27.555 1.00 40.95 C +ATOM 89 O GLU A 38 16.219 1.472 27.949 1.00 41.87 O +ATOM 90 CB GLU A 38 18.403 1.373 25.569 1.00 43.11 C +ATOM 91 CG GLU A 38 18.331 1.107 24.070 1.00 46.93 C +ATOM 92 CD GLU A 38 19.643 0.588 23.514 1.00 51.67 C +ATOM 93 OE1 GLU A 38 20.427 -0.005 24.293 1.00 53.31 O +ATOM 94 OE2 GLU A 38 19.888 0.766 22.300 1.00 52.27 O +ATOM 95 N LEU A 39 17.957 2.833 28.380 1.00 39.81 N +ATOM 96 CA LEU A 39 17.839 2.682 29.820 1.00 38.54 C +ATOM 97 C LEU A 39 17.211 3.883 30.522 1.00 38.53 C +ATOM 98 O LEU A 39 16.128 3.783 31.090 1.00 40.83 O +ATOM 99 CB LEU A 39 19.221 2.415 30.409 1.00 38.80 C +ATOM 100 CG LEU A 39 19.384 1.401 31.545 1.00 41.69 C +ATOM 101 CD1 LEU A 39 20.149 2.081 32.666 1.00 40.25 C +ATOM 102 CD2 LEU A 39 18.034 0.874 32.033 1.00 40.09 C +ATOM 103 N CYS A 40 17.895 5.019 30.476 1.00 37.31 N +ATOM 104 CA CYS A 40 17.426 6.236 31.131 1.00 36.07 C +ATOM 105 C CYS A 40 16.124 6.828 30.600 1.00 35.46 C +ATOM 106 O CYS A 40 15.206 7.106 31.366 1.00 34.28 O +ATOM 107 CB CYS A 40 18.507 7.312 31.053 1.00 35.54 C +ATOM 108 SG CYS A 40 20.105 6.835 31.775 1.00 37.77 S +ATOM 109 N LEU A 41 16.055 7.034 29.290 1.00 34.46 N +ATOM 110 CA LEU A 41 14.878 7.633 28.672 1.00 33.90 C +ATOM 111 C LEU A 41 13.609 6.814 28.866 1.00 34.43 C +ATOM 112 O LEU A 41 12.554 7.362 29.187 1.00 33.76 O +ATOM 113 CB LEU A 41 15.128 7.864 27.174 1.00 31.47 C +ATOM 114 CG LEU A 41 14.047 8.641 26.416 1.00 29.03 C +ATOM 115 CD1 LEU A 41 13.811 9.975 27.102 1.00 28.18 C +ATOM 116 CD2 LEU A 41 14.468 8.850 24.969 1.00 26.16 C +ATOM 117 N THR A 42 13.714 5.503 28.677 1.00 35.03 N +ATOM 118 CA THR A 42 12.563 4.618 28.821 1.00 36.27 C +ATOM 119 C THR A 42 11.867 4.743 30.183 1.00 38.01 C +ATOM 120 O THR A 42 10.633 4.854 30.254 1.00 37.47 O +ATOM 121 CB THR A 42 12.972 3.153 28.593 1.00 35.39 C +ATOM 122 OG1 THR A 42 14.069 2.824 29.453 1.00 36.57 O +ATOM 123 CG2 THR A 42 13.384 2.940 27.146 1.00 33.96 C +ATOM 124 N GLN A 43 12.655 4.733 31.257 1.00 36.57 N +ATOM 125 CA GLN A 43 12.102 4.843 32.598 1.00 36.73 C +ATOM 126 C GLN A 43 11.420 6.188 32.799 1.00 36.00 C +ATOM 127 O GLN A 43 10.355 6.276 33.414 1.00 34.91 O +ATOM 128 CB GLN A 43 13.206 4.665 33.639 1.00 40.23 C +ATOM 129 CG GLN A 43 12.745 4.895 35.081 1.00 47.46 C +ATOM 130 CD GLN A 43 11.503 4.100 35.438 1.00 49.65 C +ATOM 131 OE1 GLN A 43 11.472 2.880 35.289 1.00 53.05 O +ATOM 132 NE2 GLN A 43 10.472 4.791 35.916 1.00 50.49 N +ATOM 133 N PHE A 44 12.049 7.235 32.276 1.00 34.72 N +ATOM 134 CA PHE A 44 11.527 8.592 32.380 1.00 33.08 C +ATOM 135 C PHE A 44 10.185 8.716 31.641 1.00 34.45 C +ATOM 136 O PHE A 44 9.305 9.483 32.049 1.00 32.48 O +ATOM 137 CB PHE A 44 12.556 9.564 31.792 1.00 27.88 C +ATOM 138 CG PHE A 44 12.077 10.986 31.693 1.00 24.19 C +ATOM 139 CD1 PHE A 44 11.945 11.775 32.833 1.00 24.60 C +ATOM 140 CD2 PHE A 44 11.772 11.540 30.453 1.00 20.52 C +ATOM 141 CE1 PHE A 44 11.524 13.099 32.738 1.00 22.21 C +ATOM 142 CE2 PHE A 44 11.349 12.863 30.344 1.00 20.25 C +ATOM 143 CZ PHE A 44 11.224 13.644 31.489 1.00 23.05 C +ATOM 144 N GLN A 45 10.038 7.951 30.560 1.00 34.96 N +ATOM 145 CA GLN A 45 8.821 7.970 29.751 1.00 37.01 C +ATOM 146 C GLN A 45 7.637 7.338 30.471 1.00 36.53 C +ATOM 147 O GLN A 45 6.513 7.822 30.368 1.00 34.44 O +ATOM 148 CB GLN A 45 9.064 7.264 28.413 1.00 34.39 C +ATOM 149 CG GLN A 45 10.175 7.904 27.612 1.00 35.11 C +ATOM 150 CD GLN A 45 10.335 7.300 26.235 1.00 36.30 C +ATOM 151 OE1 GLN A 45 10.399 6.085 26.082 1.00 37.87 O +ATOM 152 NE2 GLN A 45 10.416 8.154 25.222 1.00 36.47 N +ATOM 153 N VAL A 46 7.889 6.252 31.191 1.00 39.79 N +ATOM 154 CA VAL A 46 6.824 5.600 31.938 1.00 42.19 C +ATOM 155 C VAL A 46 6.309 6.580 32.989 1.00 43.86 C +ATOM 156 O VAL A 46 5.112 6.859 33.056 1.00 44.77 O +ATOM 157 CB VAL A 46 7.328 4.331 32.639 1.00 42.37 C +ATOM 158 CG1 VAL A 46 6.258 3.799 33.578 1.00 43.37 C +ATOM 159 CG2 VAL A 46 7.688 3.281 31.603 1.00 41.25 C +ATOM 160 N ASP A 47 7.218 7.107 33.803 1.00 45.11 N +ATOM 161 CA ASP A 47 6.831 8.060 34.832 1.00 46.09 C +ATOM 162 C ASP A 47 6.089 9.233 34.196 1.00 45.89 C +ATOM 163 O ASP A 47 5.001 9.600 34.633 1.00 47.38 O +ATOM 164 CB ASP A 47 8.059 8.592 35.581 1.00 49.41 C +ATOM 165 CG ASP A 47 8.942 7.485 36.127 1.00 51.81 C +ATOM 166 OD1 ASP A 47 8.414 6.546 36.757 1.00 54.40 O +ATOM 167 OD2 ASP A 47 10.174 7.560 35.935 1.00 54.62 O +ATOM 176 N GLU A 49 4.548 9.390 31.429 1.00 45.27 N +ATOM 177 CA GLU A 49 3.299 8.935 30.844 1.00 45.20 C +ATOM 178 C GLU A 49 2.228 8.940 31.925 1.00 43.31 C +ATOM 179 O GLU A 49 1.090 9.334 31.683 1.00 43.03 O +ATOM 180 CB GLU A 49 3.474 7.525 30.281 1.00 49.20 C +ATOM 181 CG GLU A 49 2.377 7.071 29.342 1.00 55.98 C +ATOM 182 CD GLU A 49 2.212 8.001 28.151 1.00 61.73 C +ATOM 183 OE1 GLU A 49 3.239 8.387 27.549 1.00 62.44 O +ATOM 184 OE2 GLU A 49 1.054 8.341 27.814 1.00 65.19 O +ATOM 185 N ALA A 50 2.607 8.518 33.126 1.00 40.78 N +ATOM 186 CA ALA A 50 1.679 8.467 34.250 1.00 39.72 C +ATOM 187 C ALA A 50 1.234 9.855 34.733 1.00 39.94 C +ATOM 188 O ALA A 50 0.140 10.010 35.277 1.00 39.98 O +ATOM 189 CB ALA A 50 2.310 7.698 35.394 1.00 36.92 C +ATOM 190 N VAL A 51 2.080 10.861 34.541 1.00 38.53 N +ATOM 191 CA VAL A 51 1.750 12.215 34.972 1.00 37.20 C +ATOM 192 C VAL A 51 0.674 12.863 34.096 1.00 36.15 C +ATOM 193 O VAL A 51 -0.322 13.383 34.602 1.00 36.87 O +ATOM 194 CB VAL A 51 3.010 13.113 34.970 1.00 37.12 C +ATOM 195 CG1 VAL A 51 2.634 14.568 35.194 1.00 32.68 C +ATOM 196 CG2 VAL A 51 3.968 12.646 36.048 1.00 36.59 C +ATOM 197 N GLY A 52 0.883 12.822 32.785 1.00 35.75 N +ATOM 198 CA GLY A 52 -0.058 13.421 31.859 1.00 33.78 C +ATOM 199 C GLY A 52 0.644 14.533 31.104 1.00 34.05 C +ATOM 200 O GLY A 52 1.218 15.433 31.713 1.00 35.56 O +ATOM 201 N GLU A 53 0.591 14.491 29.779 1.00 34.55 N +ATOM 202 CA GLU A 53 1.259 15.498 28.973 1.00 34.19 C +ATOM 203 C GLU A 53 0.996 16.938 29.384 1.00 34.36 C +ATOM 204 O GLU A 53 1.932 17.724 29.518 1.00 35.03 O +ATOM 205 CB GLU A 53 0.900 15.326 27.505 1.00 36.39 C +ATOM 206 CG GLU A 53 1.625 16.316 26.624 1.00 42.76 C +ATOM 207 CD GLU A 53 1.746 15.851 25.194 1.00 45.62 C +ATOM 208 OE1 GLU A 53 1.892 14.629 24.976 1.00 46.36 O +ATOM 209 OE2 GLU A 53 1.714 16.714 24.293 1.00 49.56 O +ATOM 210 N THR A 54 -0.273 17.282 29.586 1.00 34.29 N +ATOM 211 CA THR A 54 -0.656 18.643 29.963 1.00 30.40 C +ATOM 212 C THR A 54 -0.251 19.063 31.376 1.00 30.04 C +ATOM 213 O THR A 54 -0.488 20.202 31.777 1.00 31.95 O +ATOM 214 CB THR A 54 -2.171 18.853 29.804 1.00 28.35 C +ATOM 215 OG1 THR A 54 -2.870 17.845 30.540 1.00 30.01 O +ATOM 216 CG2 THR A 54 -2.566 18.777 28.352 1.00 23.37 C +ATOM 217 N LEU A 55 0.346 18.150 32.134 1.00 28.91 N +ATOM 218 CA LEU A 55 0.799 18.475 33.483 1.00 28.23 C +ATOM 219 C LEU A 55 2.331 18.333 33.597 1.00 29.07 C +ATOM 220 O LEU A 55 2.891 18.400 34.693 1.00 29.10 O +ATOM 221 CB LEU A 55 0.103 17.573 34.517 1.00 26.75 C +ATOM 222 CG LEU A 55 -1.397 17.792 34.791 1.00 29.57 C +ATOM 223 CD1 LEU A 55 -1.863 16.825 35.886 1.00 29.23 C +ATOM 224 CD2 LEU A 55 -1.666 19.237 35.220 1.00 26.11 C +ATOM 225 N TRP A 56 3.009 18.154 32.465 1.00 27.34 N +ATOM 226 CA TRP A 56 4.460 17.994 32.475 1.00 26.32 C +ATOM 227 C TRP A 56 5.227 19.235 32.919 1.00 26.75 C +ATOM 228 O TRP A 56 6.362 19.137 33.387 1.00 28.13 O +ATOM 229 CB TRP A 56 4.971 17.571 31.098 1.00 24.03 C +ATOM 230 CG TRP A 56 4.667 16.155 30.730 1.00 23.65 C +ATOM 231 CD1 TRP A 56 4.307 15.141 31.573 1.00 22.47 C +ATOM 232 CD2 TRP A 56 4.747 15.581 29.419 1.00 23.84 C +ATOM 233 NE1 TRP A 56 4.161 13.968 30.867 1.00 25.19 N +ATOM 234 CE2 TRP A 56 4.427 14.209 29.544 1.00 21.95 C +ATOM 235 CE3 TRP A 56 5.064 16.091 28.151 1.00 24.10 C +ATOM 236 CZ2 TRP A 56 4.409 13.343 28.450 1.00 20.97 C +ATOM 237 CZ3 TRP A 56 5.047 15.229 27.061 1.00 22.85 C +ATOM 238 CH2 TRP A 56 4.723 13.867 27.220 1.00 22.20 C +ATOM 239 N CYS A 57 4.612 20.401 32.766 1.00 26.22 N +ATOM 240 CA CYS A 57 5.258 21.644 33.152 1.00 23.92 C +ATOM 241 C CYS A 57 5.133 21.923 34.650 1.00 25.12 C +ATOM 242 O CYS A 57 5.669 22.911 35.150 1.00 23.17 O +ATOM 243 CB CYS A 57 4.679 22.803 32.342 1.00 21.59 C +ATOM 244 SG CYS A 57 5.385 23.001 30.665 1.00 27.97 S +ATOM 245 N ASP A 58 4.422 21.051 35.362 1.00 26.35 N +ATOM 246 CA ASP A 58 4.251 21.201 36.805 1.00 27.93 C +ATOM 247 C ASP A 58 5.391 20.470 37.500 1.00 28.05 C +ATOM 248 O ASP A 58 5.324 19.258 37.719 1.00 27.70 O +ATOM 249 CB ASP A 58 2.903 20.624 37.252 1.00 29.57 C +ATOM 250 CG ASP A 58 2.694 20.722 38.754 1.00 30.94 C +ATOM 251 OD1 ASP A 58 3.232 21.667 39.365 1.00 33.12 O +ATOM 252 OD2 ASP A 58 1.981 19.866 39.328 1.00 34.06 O +ATOM 253 N TRP A 59 6.436 21.221 37.837 1.00 28.53 N +ATOM 254 CA TRP A 59 7.624 20.677 38.483 1.00 27.00 C +ATOM 255 C TRP A 59 7.311 19.901 39.750 1.00 28.60 C +ATOM 256 O TRP A 59 8.035 18.975 40.112 1.00 27.85 O +ATOM 257 CB TRP A 59 8.608 21.808 38.770 1.00 26.34 C +ATOM 258 CG TRP A 59 9.034 22.516 37.502 1.00 28.03 C +ATOM 259 CD1 TRP A 59 8.821 23.829 37.177 1.00 25.95 C +ATOM 260 CD2 TRP A 59 9.694 21.927 36.369 1.00 26.99 C +ATOM 261 NE1 TRP A 59 9.306 24.090 35.913 1.00 27.15 N +ATOM 262 CE2 TRP A 59 9.845 22.942 35.396 1.00 25.59 C +ATOM 263 CE3 TRP A 59 10.172 20.640 36.084 1.00 27.98 C +ATOM 264 CZ2 TRP A 59 10.451 22.709 34.159 1.00 27.19 C +ATOM 265 CZ3 TRP A 59 10.778 20.409 34.848 1.00 28.14 C +ATOM 266 CH2 TRP A 59 10.910 21.440 33.902 1.00 25.38 C +ATOM 267 N GLY A 60 6.219 20.265 40.412 1.00 29.82 N +ATOM 268 CA GLY A 60 5.840 19.570 41.625 1.00 30.33 C +ATOM 269 C GLY A 60 5.484 18.128 41.327 1.00 30.98 C +ATOM 270 O GLY A 60 5.463 17.284 42.216 1.00 33.06 O +ATOM 271 N ARG A 61 5.210 17.842 40.062 1.00 30.98 N +ATOM 272 CA ARG A 61 4.836 16.499 39.659 1.00 29.21 C +ATOM 273 C ARG A 61 5.918 15.798 38.863 1.00 29.96 C +ATOM 274 O ARG A 61 6.028 14.574 38.889 1.00 30.63 O +ATOM 275 CB ARG A 61 3.563 16.555 38.824 1.00 27.92 C +ATOM 276 CG ARG A 61 2.301 16.670 39.641 1.00 31.34 C +ATOM 277 CD ARG A 61 1.095 16.880 38.749 1.00 34.94 C +ATOM 278 NE ARG A 61 -0.152 16.712 39.486 1.00 37.13 N +ATOM 279 CZ ARG A 61 -1.220 17.482 39.327 1.00 40.10 C +ATOM 280 NH1 ARG A 61 -1.191 18.481 38.458 1.00 45.27 N +ATOM 281 NH2 ARG A 61 -2.320 17.253 40.030 1.00 41.79 N +ATOM 282 N THR A 62 6.734 16.582 38.176 1.00 29.91 N +ATOM 283 CA THR A 62 7.771 16.022 37.326 1.00 29.48 C +ATOM 284 C THR A 62 9.213 16.172 37.794 1.00 30.21 C +ATOM 285 O THR A 62 10.107 15.569 37.197 1.00 30.91 O +ATOM 286 CB THR A 62 7.664 16.624 35.917 1.00 27.97 C +ATOM 287 OG1 THR A 62 7.805 18.046 36.000 1.00 30.88 O +ATOM 288 CG2 THR A 62 6.309 16.313 35.311 1.00 27.25 C +ATOM 289 N ILE A 63 9.450 16.945 38.853 1.00 30.42 N +ATOM 290 CA ILE A 63 10.818 17.153 39.318 1.00 31.02 C +ATOM 291 C ILE A 63 11.530 15.854 39.713 1.00 32.74 C +ATOM 292 O ILE A 63 12.684 15.633 39.329 1.00 32.74 O +ATOM 293 CB ILE A 63 10.883 18.199 40.474 1.00 30.76 C +ATOM 294 CG1 ILE A 63 12.302 18.758 40.568 1.00 32.80 C +ATOM 295 CG2 ILE A 63 10.479 17.589 41.804 1.00 30.03 C +ATOM 296 CD1 ILE A 63 12.770 19.436 39.277 1.00 33.15 C +ATOM 297 N ARG A 64 10.844 14.986 40.449 1.00 32.60 N +ATOM 298 CA ARG A 64 11.441 13.720 40.844 1.00 33.71 C +ATOM 299 C ARG A 64 11.958 13.005 39.597 1.00 35.19 C +ATOM 300 O ARG A 64 13.125 12.615 39.525 1.00 37.11 O +ATOM 301 CB ARG A 64 10.412 12.824 41.532 1.00 33.72 C +ATOM 302 CG ARG A 64 10.990 11.503 42.016 1.00 35.07 C +ATOM 303 CD ARG A 64 9.913 10.510 42.381 1.00 39.52 C +ATOM 304 NE ARG A 64 9.240 10.007 41.189 1.00 50.07 N +ATOM 305 CZ ARG A 64 9.835 9.280 40.245 1.00 52.90 C +ATOM 306 NH1 ARG A 64 11.121 8.962 40.354 1.00 55.61 N +ATOM 307 NH2 ARG A 64 9.148 8.875 39.184 1.00 53.61 N +ATOM 308 N SER A 65 11.074 12.836 38.618 1.00 34.97 N +ATOM 309 CA SER A 65 11.416 12.164 37.372 1.00 32.43 C +ATOM 310 C SER A 65 12.553 12.832 36.621 1.00 31.87 C +ATOM 311 O SER A 65 13.375 12.152 36.017 1.00 31.71 O +ATOM 312 CB SER A 65 10.192 12.085 36.464 1.00 32.32 C +ATOM 313 OG SER A 65 9.260 11.144 36.954 1.00 33.68 O +ATOM 314 N TYR A 66 12.592 14.160 36.646 1.00 32.84 N +ATOM 315 CA TYR A 66 13.646 14.895 35.950 1.00 34.80 C +ATOM 316 C TYR A 66 14.989 14.614 36.624 1.00 34.36 C +ATOM 317 O TYR A 66 16.004 14.425 35.951 1.00 33.94 O +ATOM 318 CB TYR A 66 13.361 16.403 35.973 1.00 34.27 C +ATOM 319 CG TYR A 66 14.295 17.221 35.097 1.00 33.30 C +ATOM 320 CD1 TYR A 66 14.047 17.379 33.730 1.00 34.81 C +ATOM 321 CD2 TYR A 66 15.428 17.833 35.630 1.00 33.79 C +ATOM 322 CE1 TYR A 66 14.903 18.128 32.916 1.00 32.03 C +ATOM 323 CE2 TYR A 66 16.291 18.582 34.827 1.00 31.91 C +ATOM 324 CZ TYR A 66 16.022 18.724 33.474 1.00 33.10 C +ATOM 325 OH TYR A 66 16.874 19.460 32.684 1.00 35.42 O +ATOM 326 N ARG A 67 14.971 14.598 37.955 1.00 33.70 N +ATOM 327 CA ARG A 67 16.150 14.330 38.769 1.00 34.26 C +ATOM 328 C ARG A 67 16.646 12.909 38.507 1.00 33.37 C +ATOM 329 O ARG A 67 17.847 12.668 38.391 1.00 33.14 O +ATOM 330 CB ARG A 67 15.792 14.495 40.251 1.00 37.11 C +ATOM 331 CG ARG A 67 16.848 14.023 41.260 1.00 42.58 C +ATOM 332 CD ARG A 67 18.043 14.966 41.338 1.00 46.46 C +ATOM 333 NE ARG A 67 18.849 14.752 42.543 1.00 49.87 N +ATOM 334 CZ ARG A 67 18.428 14.966 43.789 1.00 52.99 C +ATOM 335 NH1 ARG A 67 17.191 15.405 44.017 1.00 49.16 N +ATOM 336 NH2 ARG A 67 19.256 14.755 44.809 1.00 52.77 N +ATOM 337 N GLU A 68 15.717 11.968 38.405 1.00 33.46 N +ATOM 338 CA GLU A 68 16.073 10.575 38.159 1.00 34.22 C +ATOM 339 C GLU A 68 16.745 10.397 36.802 1.00 32.00 C +ATOM 340 O GLU A 68 17.732 9.668 36.680 1.00 30.27 O +ATOM 341 CB GLU A 68 14.827 9.696 38.226 1.00 39.18 C +ATOM 342 CG GLU A 68 15.060 8.416 38.988 1.00 49.13 C +ATOM 343 CD GLU A 68 15.611 8.684 40.379 1.00 54.52 C +ATOM 344 OE1 GLU A 68 14.925 9.375 41.174 1.00 54.71 O +ATOM 345 OE2 GLU A 68 16.733 8.208 40.670 1.00 55.55 O +ATOM 346 N LEU A 69 16.195 11.059 35.786 1.00 29.79 N +ATOM 347 CA LEU A 69 16.736 10.990 34.436 1.00 29.75 C +ATOM 348 C LEU A 69 18.176 11.517 34.411 1.00 30.39 C +ATOM 349 O LEU A 69 19.072 10.879 33.856 1.00 32.28 O +ATOM 350 CB LEU A 69 15.866 11.816 33.482 1.00 28.20 C +ATOM 351 CG LEU A 69 16.307 11.866 32.011 1.00 29.81 C +ATOM 352 CD1 LEU A 69 16.115 10.495 31.366 1.00 27.29 C +ATOM 353 CD2 LEU A 69 15.504 12.921 31.260 1.00 27.06 C +ATOM 354 N ALA A 70 18.385 12.684 35.017 1.00 29.88 N +ATOM 355 CA ALA A 70 19.700 13.312 35.074 1.00 29.81 C +ATOM 356 C ALA A 70 20.706 12.431 35.806 1.00 31.84 C +ATOM 357 O ALA A 70 21.840 12.277 35.349 1.00 33.76 O +ATOM 358 CB ALA A 70 19.602 14.668 35.751 1.00 26.06 C +ATOM 359 N ASP A 71 20.302 11.854 36.936 1.00 33.02 N +ATOM 360 CA ASP A 71 21.200 10.977 37.690 1.00 36.00 C +ATOM 361 C ASP A 71 21.595 9.787 36.824 1.00 35.55 C +ATOM 362 O ASP A 71 22.744 9.346 36.830 1.00 36.24 O +ATOM 363 CB ASP A 71 20.535 10.459 38.974 1.00 37.02 C +ATOM 364 CG ASP A 71 20.329 11.549 40.015 1.00 43.06 C +ATOM 365 OD1 ASP A 71 20.958 12.625 39.893 1.00 44.38 O +ATOM 366 OD2 ASP A 71 19.545 11.324 40.966 1.00 45.29 O +ATOM 367 N CYS A 72 20.629 9.277 36.074 1.00 33.94 N +ATOM 368 CA CYS A 72 20.861 8.138 35.203 1.00 35.04 C +ATOM 369 C CYS A 72 21.861 8.458 34.087 1.00 33.88 C +ATOM 370 O CYS A 72 22.756 7.661 33.797 1.00 34.37 O +ATOM 371 CB CYS A 72 19.527 7.678 34.612 1.00 35.52 C +ATOM 372 SG CYS A 72 19.586 6.159 33.616 1.00 40.36 S +ATOM 373 N THR A 73 21.718 9.617 33.457 1.00 31.50 N +ATOM 374 CA THR A 73 22.644 9.975 32.396 1.00 30.42 C +ATOM 375 C THR A 73 24.029 10.169 33.008 1.00 32.41 C +ATOM 376 O THR A 73 25.049 9.887 32.372 1.00 33.89 O +ATOM 377 CB THR A 73 22.217 11.274 31.689 1.00 29.13 C +ATOM 378 OG1 THR A 73 22.301 12.374 32.606 1.00 26.91 O +ATOM 379 CG2 THR A 73 20.790 11.144 31.168 1.00 28.39 C +ATOM 380 N TRP A 74 24.053 10.651 34.250 1.00 33.13 N +ATOM 381 CA TRP A 74 25.298 10.888 34.975 1.00 35.79 C +ATOM 382 C TRP A 74 25.939 9.560 35.365 1.00 37.09 C +ATOM 383 O TRP A 74 27.135 9.350 35.140 1.00 35.95 O +ATOM 384 CB TRP A 74 25.019 11.753 36.209 1.00 36.68 C +ATOM 385 CG TRP A 74 26.029 11.636 37.309 1.00 39.49 C +ATOM 386 CD1 TRP A 74 25.844 11.047 38.527 1.00 38.45 C +ATOM 387 CD2 TRP A 74 27.383 12.109 37.294 1.00 40.16 C +ATOM 388 NE1 TRP A 74 26.993 11.123 39.271 1.00 39.47 N +ATOM 389 CE2 TRP A 74 27.954 11.770 38.541 1.00 40.31 C +ATOM 390 CE3 TRP A 74 28.168 12.785 36.350 1.00 41.81 C +ATOM 391 CZ2 TRP A 74 29.279 12.084 38.868 1.00 40.48 C +ATOM 392 CZ3 TRP A 74 29.489 13.098 36.677 1.00 40.58 C +ATOM 393 CH2 TRP A 74 30.028 12.746 37.927 1.00 41.84 C +ATOM 394 N HIS A 75 25.140 8.660 35.933 1.00 39.77 N +ATOM 395 CA HIS A 75 25.640 7.344 36.319 1.00 42.09 C +ATOM 396 C HIS A 75 26.176 6.605 35.097 1.00 40.49 C +ATOM 397 O HIS A 75 27.259 6.022 35.141 1.00 40.59 O +ATOM 398 CB HIS A 75 24.537 6.501 36.971 1.00 46.71 C +ATOM 399 CG HIS A 75 24.139 6.972 38.335 1.00 52.91 C +ATOM 400 ND1 HIS A 75 25.003 7.650 39.171 1.00 56.38 N +ATOM 401 CD2 HIS A 75 22.980 6.836 39.023 1.00 55.42 C +ATOM 402 CE1 HIS A 75 24.392 7.912 40.312 1.00 58.17 C +ATOM 403 NE2 HIS A 75 23.163 7.428 40.249 1.00 58.09 N +ATOM 412 N ALA A 77 27.364 7.820 32.507 1.00 36.42 N +ATOM 413 CA ALA A 77 28.596 8.484 32.089 1.00 35.03 C +ATOM 414 C ALA A 77 29.770 8.010 32.943 1.00 35.20 C +ATOM 415 O ALA A 77 30.869 7.796 32.434 1.00 32.81 O +ATOM 416 CB ALA A 77 28.444 9.989 32.196 1.00 33.57 C +ATOM 417 N GLU A 78 29.546 7.854 34.244 1.00 37.36 N +ATOM 418 CA GLU A 78 30.607 7.371 35.119 1.00 41.22 C +ATOM 419 C GLU A 78 30.949 5.958 34.681 1.00 43.65 C +ATOM 420 O GLU A 78 32.097 5.662 34.348 1.00 44.69 O +ATOM 421 CB GLU A 78 30.149 7.341 36.572 1.00 42.96 C +ATOM 422 CG GLU A 78 29.895 8.694 37.174 1.00 46.44 C +ATOM 423 CD GLU A 78 29.678 8.605 38.663 1.00 51.95 C +ATOM 424 OE1 GLU A 78 30.651 8.292 39.382 1.00 54.62 O +ATOM 425 OE2 GLU A 78 28.535 8.836 39.116 1.00 56.76 O +ATOM 426 N LYS A 79 29.937 5.092 34.684 1.00 44.64 N +ATOM 427 CA LYS A 79 30.101 3.706 34.269 1.00 45.12 C +ATOM 428 C LYS A 79 30.983 3.594 33.033 1.00 43.16 C +ATOM 429 O LYS A 79 32.004 2.917 33.057 1.00 44.46 O +ATOM 430 CB LYS A 79 28.738 3.075 33.971 1.00 49.46 C +ATOM 431 CG LYS A 79 28.012 2.531 35.193 1.00 56.79 C +ATOM 432 CD LYS A 79 28.706 1.290 35.754 1.00 61.63 C +ATOM 433 CE LYS A 79 28.664 0.124 34.763 1.00 63.99 C +ATOM 434 NZ LYS A 79 29.375 -1.090 35.272 1.00 63.48 N +ATOM 435 N LEU A 80 30.596 4.268 31.956 1.00 40.20 N +ATOM 436 CA LEU A 80 31.365 4.206 30.720 1.00 38.12 C +ATOM 437 C LEU A 80 32.619 5.084 30.705 1.00 37.45 C +ATOM 438 O LEU A 80 33.404 5.048 29.755 1.00 34.96 O +ATOM 439 CB LEU A 80 30.466 4.549 29.528 1.00 36.57 C +ATOM 440 CG LEU A 80 29.260 3.628 29.303 1.00 37.74 C +ATOM 441 CD1 LEU A 80 28.795 3.736 27.859 1.00 35.91 C +ATOM 442 CD2 LEU A 80 29.644 2.188 29.606 1.00 38.14 C +ATOM 443 N GLY A 81 32.809 5.867 31.760 1.00 37.09 N +ATOM 444 CA GLY A 81 33.971 6.735 31.831 1.00 35.92 C +ATOM 445 C GLY A 81 33.968 7.846 30.796 1.00 36.53 C +ATOM 446 O GLY A 81 35.025 8.241 30.311 1.00 36.25 O +ATOM 447 N CYS A 82 32.783 8.348 30.456 1.00 36.26 N +ATOM 448 CA CYS A 82 32.654 9.422 29.476 1.00 35.52 C +ATOM 449 C CYS A 82 33.096 10.712 30.115 1.00 34.27 C +ATOM 450 O CYS A 82 33.387 10.749 31.310 1.00 34.74 O +ATOM 451 CB CYS A 82 31.195 9.584 29.029 1.00 38.47 C +ATOM 452 SG CYS A 82 30.507 8.107 28.230 1.00 44.55 S +ATOM 453 N PHE A 83 33.154 11.770 29.317 1.00 32.39 N +ATOM 454 CA PHE A 83 33.516 13.077 29.836 1.00 29.73 C +ATOM 455 C PHE A 83 32.220 13.681 30.380 1.00 29.62 C +ATOM 456 O PHE A 83 31.127 13.183 30.098 1.00 29.49 O +ATOM 457 CB PHE A 83 34.066 13.978 28.726 1.00 28.12 C +ATOM 458 CG PHE A 83 35.408 13.555 28.198 1.00 29.09 C +ATOM 459 CD1 PHE A 83 36.477 13.338 29.064 1.00 28.54 C +ATOM 460 CD2 PHE A 83 35.615 13.413 26.829 1.00 29.03 C +ATOM 461 CE1 PHE A 83 37.735 12.989 28.574 1.00 27.90 C +ATOM 462 CE2 PHE A 83 36.871 13.062 26.327 1.00 29.58 C +ATOM 463 CZ PHE A 83 37.933 12.850 27.202 1.00 26.63 C +ATOM 464 N TRP A 84 32.337 14.743 31.163 1.00 28.00 N +ATOM 465 CA TRP A 84 31.161 15.395 31.701 1.00 26.37 C +ATOM 466 C TRP A 84 31.409 16.894 31.763 1.00 27.48 C +ATOM 467 O TRP A 84 32.333 17.352 32.428 1.00 30.08 O +ATOM 468 CB TRP A 84 30.824 14.843 33.089 1.00 24.79 C +ATOM 469 CG TRP A 84 29.484 15.303 33.570 1.00 26.71 C +ATOM 470 CD1 TRP A 84 29.218 16.398 34.350 1.00 25.35 C +ATOM 471 CD2 TRP A 84 28.209 14.730 33.233 1.00 24.64 C +ATOM 472 NE1 TRP A 84 27.859 16.542 34.511 1.00 26.70 N +ATOM 473 CE2 TRP A 84 27.217 15.536 33.836 1.00 25.24 C +ATOM 474 CE3 TRP A 84 27.809 13.622 32.470 1.00 22.97 C +ATOM 475 CZ2 TRP A 84 25.847 15.258 33.708 1.00 25.49 C +ATOM 476 CZ3 TRP A 84 26.447 13.348 32.341 1.00 21.48 C +ATOM 477 CH2 TRP A 84 25.485 14.165 32.954 1.00 21.50 C +ATOM 478 N PRO A 85 30.618 17.675 31.012 1.00 27.12 N +ATOM 479 CA PRO A 85 29.551 17.160 30.144 1.00 25.94 C +ATOM 480 C PRO A 85 30.144 16.593 28.848 1.00 27.64 C +ATOM 481 O PRO A 85 31.361 16.438 28.722 1.00 26.21 O +ATOM 482 CB PRO A 85 28.697 18.399 29.891 1.00 24.63 C +ATOM 483 CG PRO A 85 29.731 19.504 29.870 1.00 21.34 C +ATOM 484 CD PRO A 85 30.615 19.151 31.044 1.00 23.29 C +ATOM 485 N ASN A 86 29.279 16.281 27.890 1.00 27.84 N +ATOM 486 CA ASN A 86 29.719 15.769 26.598 1.00 26.02 C +ATOM 487 C ASN A 86 28.612 16.037 25.583 1.00 27.11 C +ATOM 488 O ASN A 86 27.436 16.156 25.948 1.00 28.54 O +ATOM 489 CB ASN A 86 30.052 14.275 26.698 1.00 22.74 C +ATOM 490 CG ASN A 86 28.880 13.445 27.145 1.00 24.40 C +ATOM 491 OD1 ASN A 86 27.919 13.262 26.403 1.00 23.62 O +ATOM 492 ND2 ASN A 86 28.948 12.936 28.370 1.00 25.71 N +ATOM 493 N ALA A 87 28.985 16.142 24.312 1.00 25.48 N +ATOM 494 CA ALA A 87 28.024 16.448 23.258 1.00 24.27 C +ATOM 495 C ALA A 87 26.790 15.557 23.210 1.00 24.33 C +ATOM 496 O ALA A 87 25.692 16.028 22.918 1.00 27.34 O +ATOM 497 CB ALA A 87 28.726 16.448 21.899 1.00 21.41 C +ATOM 498 N GLU A 88 26.962 14.277 23.505 1.00 24.45 N +ATOM 499 CA GLU A 88 25.852 13.339 23.463 1.00 24.74 C +ATOM 500 C GLU A 88 24.789 13.647 24.518 1.00 25.42 C +ATOM 501 O GLU A 88 23.612 13.798 24.188 1.00 23.00 O +ATOM 502 CB GLU A 88 26.379 11.909 23.632 1.00 27.01 C +ATOM 503 CG GLU A 88 25.365 10.820 23.353 1.00 30.87 C +ATOM 504 CD GLU A 88 24.760 10.931 21.966 1.00 35.10 C +ATOM 505 OE1 GLU A 88 25.533 11.038 20.986 1.00 35.14 O +ATOM 506 OE2 GLU A 88 23.513 10.909 21.858 1.00 38.39 O +ATOM 507 N VAL A 89 25.194 13.750 25.782 1.00 24.62 N +ATOM 508 CA VAL A 89 24.232 14.036 26.836 1.00 26.53 C +ATOM 509 C VAL A 89 23.621 15.422 26.623 1.00 27.45 C +ATOM 510 O VAL A 89 22.444 15.648 26.925 1.00 25.71 O +ATOM 511 CB VAL A 89 24.882 13.952 28.251 1.00 29.53 C +ATOM 512 CG1 VAL A 89 25.956 15.020 28.419 1.00 29.25 C +ATOM 513 CG2 VAL A 89 23.802 14.111 29.317 1.00 30.93 C +ATOM 514 N ASP A 90 24.439 16.338 26.104 1.00 27.77 N +ATOM 515 CA ASP A 90 24.016 17.701 25.799 1.00 26.64 C +ATOM 516 C ASP A 90 22.816 17.647 24.872 1.00 25.69 C +ATOM 517 O ASP A 90 21.777 18.257 25.135 1.00 27.12 O +ATOM 518 CB ASP A 90 25.139 18.453 25.084 1.00 28.28 C +ATOM 519 CG ASP A 90 25.953 19.326 26.016 1.00 31.06 C +ATOM 520 OD1 ASP A 90 25.799 19.195 27.256 1.00 33.14 O +ATOM 521 OD2 ASP A 90 26.753 20.138 25.497 1.00 28.08 O +ATOM 522 N ARG A 91 22.979 16.908 23.781 1.00 23.35 N +ATOM 523 CA ARG A 91 21.931 16.758 22.784 1.00 24.77 C +ATOM 524 C ARG A 91 20.729 16.004 23.342 1.00 24.55 C +ATOM 525 O ARG A 91 19.586 16.295 22.989 1.00 24.56 O +ATOM 526 CB ARG A 91 22.484 16.022 21.566 1.00 23.52 C +ATOM 527 CG ARG A 91 21.536 15.955 20.388 1.00 25.86 C +ATOM 528 CD ARG A 91 22.243 15.365 19.175 1.00 29.25 C +ATOM 529 NE ARG A 91 22.696 13.992 19.408 1.00 30.99 N +ATOM 530 CZ ARG A 91 23.325 13.251 18.499 1.00 30.60 C +ATOM 531 NH1 ARG A 91 23.583 13.745 17.296 1.00 28.10 N +ATOM 532 NH2 ARG A 91 23.685 12.009 18.785 1.00 31.57 N +ATOM 533 N PHE A 92 20.995 15.034 24.211 1.00 25.82 N +ATOM 534 CA PHE A 92 19.939 14.232 24.821 1.00 26.86 C +ATOM 535 C PHE A 92 18.979 15.121 25.590 1.00 27.68 C +ATOM 536 O PHE A 92 17.773 15.056 25.389 1.00 30.04 O +ATOM 537 CB PHE A 92 20.539 13.207 25.782 1.00 27.65 C +ATOM 538 CG PHE A 92 19.529 12.279 26.385 1.00 27.90 C +ATOM 539 CD1 PHE A 92 19.039 11.199 25.659 1.00 29.18 C +ATOM 540 CD2 PHE A 92 19.074 12.474 27.686 1.00 27.58 C +ATOM 541 CE1 PHE A 92 18.111 10.322 26.219 1.00 29.00 C +ATOM 542 CE2 PHE A 92 18.143 11.601 28.258 1.00 28.79 C +ATOM 543 CZ PHE A 92 17.663 10.523 27.526 1.00 27.75 C +ATOM 544 N PHE A 93 19.518 15.955 26.474 1.00 29.51 N +ATOM 545 CA PHE A 93 18.678 16.844 27.264 1.00 29.13 C +ATOM 546 C PHE A 93 18.004 17.904 26.418 1.00 28.88 C +ATOM 547 O PHE A 93 16.896 18.343 26.731 1.00 29.45 O +ATOM 548 CB PHE A 93 19.484 17.471 28.405 1.00 29.41 C +ATOM 549 CG PHE A 93 19.453 16.652 29.658 1.00 29.48 C +ATOM 550 CD1 PHE A 93 18.307 16.627 30.450 1.00 29.15 C +ATOM 551 CD2 PHE A 93 20.507 15.803 29.977 1.00 31.80 C +ATOM 552 CE1 PHE A 93 18.204 15.762 31.539 1.00 30.08 C +ATOM 553 CE2 PHE A 93 20.417 14.927 31.068 1.00 30.98 C +ATOM 554 CZ PHE A 93 19.261 14.904 31.848 1.00 31.02 C +ATOM 555 N LEU A 94 18.653 18.305 25.333 1.00 27.49 N +ATOM 556 CA LEU A 94 18.036 19.289 24.468 1.00 28.16 C +ATOM 557 C LEU A 94 16.744 18.658 23.944 1.00 27.70 C +ATOM 558 O LEU A 94 15.705 19.317 23.853 1.00 28.73 O +ATOM 559 CB LEU A 94 18.958 19.642 23.302 1.00 29.51 C +ATOM 560 CG LEU A 94 18.978 21.149 23.030 1.00 30.85 C +ATOM 561 CD1 LEU A 94 19.718 21.831 24.169 1.00 29.78 C +ATOM 562 CD2 LEU A 94 19.648 21.454 21.711 1.00 32.30 C +ATOM 563 N ALA A 95 16.822 17.369 23.625 1.00 25.96 N +ATOM 564 CA ALA A 95 15.688 16.618 23.107 1.00 24.20 C +ATOM 565 C ALA A 95 14.560 16.465 24.137 1.00 24.97 C +ATOM 566 O ALA A 95 13.380 16.662 23.815 1.00 23.69 O +ATOM 567 CB ALA A 95 16.155 15.256 22.639 1.00 22.12 C +ATOM 568 N VAL A 96 14.922 16.115 25.370 1.00 22.11 N +ATOM 569 CA VAL A 96 13.937 15.949 26.427 1.00 19.13 C +ATOM 570 C VAL A 96 13.205 17.260 26.673 1.00 20.92 C +ATOM 571 O VAL A 96 11.987 17.278 26.870 1.00 20.45 O +ATOM 572 CB VAL A 96 14.606 15.476 27.737 1.00 19.99 C +ATOM 573 CG1 VAL A 96 13.615 15.537 28.894 1.00 20.76 C +ATOM 574 CG2 VAL A 96 15.096 14.058 27.571 1.00 18.64 C +ATOM 575 N HIS A 97 13.953 18.360 26.660 1.00 23.07 N +ATOM 576 CA HIS A 97 13.368 19.681 26.872 1.00 23.41 C +ATOM 577 C HIS A 97 12.444 20.030 25.718 1.00 23.80 C +ATOM 578 O HIS A 97 11.331 20.516 25.932 1.00 24.03 O +ATOM 579 CB HIS A 97 14.458 20.744 26.985 1.00 22.84 C +ATOM 580 CG HIS A 97 15.210 20.704 28.276 1.00 25.65 C +ATOM 581 ND1 HIS A 97 16.140 21.659 28.625 1.00 26.15 N +ATOM 582 CD2 HIS A 97 15.166 19.827 29.308 1.00 24.36 C +ATOM 583 CE1 HIS A 97 16.634 21.374 29.815 1.00 24.33 C +ATOM 584 NE2 HIS A 97 16.060 20.267 30.252 1.00 24.28 N +ATOM 585 N GLY A 98 12.913 19.774 24.499 1.00 22.12 N +ATOM 586 CA GLY A 98 12.122 20.061 23.322 1.00 24.39 C +ATOM 587 C GLY A 98 10.810 19.296 23.226 1.00 28.40 C +ATOM 588 O GLY A 98 9.896 19.752 22.541 1.00 32.33 O +ATOM 589 N ARG A 99 10.698 18.147 23.893 1.00 29.53 N +ATOM 590 CA ARG A 99 9.467 17.366 23.823 1.00 29.93 C +ATOM 591 C ARG A 99 8.618 17.360 25.089 1.00 28.79 C +ATOM 592 O ARG A 99 7.400 17.445 25.018 1.00 30.30 O +ATOM 593 CB ARG A 99 9.760 15.909 23.451 1.00 35.58 C +ATOM 594 CG ARG A 99 8.494 15.144 23.055 1.00 41.46 C +ATOM 595 CD ARG A 99 8.410 13.733 23.626 1.00 46.70 C +ATOM 596 NE ARG A 99 9.285 12.775 22.954 1.00 52.51 N +ATOM 597 CZ ARG A 99 8.940 11.517 22.673 1.00 56.84 C +ATOM 598 NH1 ARG A 99 7.732 11.058 22.998 1.00 54.62 N +ATOM 599 NH2 ARG A 99 9.809 10.708 22.078 1.00 57.03 N +ATOM 600 N TYR A 100 9.249 17.247 26.249 1.00 29.19 N +ATOM 601 CA TYR A 100 8.500 17.198 27.500 1.00 27.86 C +ATOM 602 C TYR A 100 8.325 18.523 28.211 1.00 28.61 C +ATOM 603 O TYR A 100 7.297 18.763 28.826 1.00 29.25 O +ATOM 604 CB TYR A 100 9.169 16.217 28.450 1.00 27.52 C +ATOM 605 CG TYR A 100 9.215 14.820 27.899 1.00 29.01 C +ATOM 606 CD1 TYR A 100 8.167 13.932 28.114 1.00 26.90 C +ATOM 607 CD2 TYR A 100 10.291 14.399 27.118 1.00 29.64 C +ATOM 608 CE1 TYR A 100 8.187 12.662 27.565 1.00 30.79 C +ATOM 609 CE2 TYR A 100 10.320 13.136 26.564 1.00 30.46 C +ATOM 610 CZ TYR A 100 9.265 12.269 26.788 1.00 30.61 C +ATOM 611 OH TYR A 100 9.286 11.016 26.220 1.00 33.84 O +ATOM 612 N PHE A 101 9.315 19.398 28.114 1.00 29.47 N +ATOM 613 CA PHE A 101 9.232 20.669 28.811 1.00 30.11 C +ATOM 614 C PHE A 101 9.249 21.868 27.891 1.00 31.15 C +ATOM 615 O PHE A 101 10.174 22.671 27.896 1.00 33.30 O +ATOM 616 CB PHE A 101 10.363 20.733 29.828 1.00 28.18 C +ATOM 617 CG PHE A 101 10.449 19.508 30.683 1.00 28.97 C +ATOM 618 CD1 PHE A 101 9.401 19.171 31.547 1.00 28.27 C +ATOM 619 CD2 PHE A 101 11.544 18.652 30.591 1.00 29.30 C +ATOM 620 CE1 PHE A 101 9.447 17.998 32.306 1.00 29.72 C +ATOM 621 CE2 PHE A 101 11.597 17.470 31.351 1.00 28.98 C +ATOM 622 CZ PHE A 101 10.549 17.145 32.205 1.00 27.80 C +ATOM 623 N ARG A 102 8.188 21.990 27.110 1.00 35.53 N +ATOM 624 CA ARG A 102 8.060 23.083 26.169 1.00 39.35 C +ATOM 625 C ARG A 102 7.023 24.094 26.684 1.00 38.08 C +ATOM 626 O ARG A 102 5.899 23.722 27.029 1.00 39.30 O +ATOM 627 CB ARG A 102 7.653 22.515 24.795 1.00 41.87 C +ATOM 628 CG ARG A 102 8.019 23.410 23.612 1.00 50.13 C +ATOM 629 CD ARG A 102 7.832 22.730 22.240 1.00 52.69 C +ATOM 630 NE ARG A 102 6.445 22.363 21.965 1.00 55.50 N +ATOM 631 CZ ARG A 102 5.912 21.183 22.260 1.00 58.02 C +ATOM 632 NH1 ARG A 102 6.654 20.249 22.840 1.00 58.29 N +ATOM 633 NH2 ARG A 102 4.639 20.937 21.971 1.00 59.70 N +ATOM 634 N SER A 103 7.419 25.361 26.771 1.00 33.72 N +ATOM 635 CA SER A 103 6.513 26.421 27.206 1.00 33.36 C +ATOM 636 C SER A 103 6.090 26.364 28.672 1.00 32.85 C +ATOM 637 O SER A 103 4.970 26.744 29.020 1.00 30.97 O +ATOM 638 CB SER A 103 5.265 26.414 26.327 1.00 33.67 C +ATOM 639 OG SER A 103 5.620 26.411 24.956 1.00 38.84 O +ATOM 640 N CYS A 104 6.993 25.913 29.532 1.00 32.32 N +ATOM 641 CA CYS A 104 6.714 25.812 30.959 1.00 30.40 C +ATOM 642 C CYS A 104 6.872 27.173 31.639 1.00 30.38 C +ATOM 643 O CYS A 104 7.902 27.822 31.497 1.00 30.24 O +ATOM 644 CB CYS A 104 7.660 24.796 31.581 1.00 28.90 C +ATOM 645 SG CYS A 104 7.385 23.080 31.024 1.00 28.89 S +ATOM 646 N PRO A 105 5.851 27.617 32.398 1.00 30.73 N +ATOM 647 CA PRO A 105 5.878 28.910 33.095 1.00 31.23 C +ATOM 648 C PRO A 105 6.768 28.987 34.340 1.00 33.17 C +ATOM 649 O PRO A 105 7.128 27.974 34.939 1.00 31.67 O +ATOM 650 CB PRO A 105 4.404 29.144 33.477 1.00 27.86 C +ATOM 651 CG PRO A 105 3.630 28.116 32.721 1.00 28.02 C +ATOM 652 CD PRO A 105 4.562 26.946 32.625 1.00 30.13 C +ATOM 653 N ILE A 106 7.109 30.213 34.715 1.00 34.60 N +ATOM 654 CA ILE A 106 7.886 30.471 35.913 1.00 36.15 C +ATOM 655 C ILE A 106 6.873 31.103 36.875 1.00 39.57 C +ATOM 656 O ILE A 106 6.366 32.197 36.615 1.00 39.08 O +ATOM 657 CB ILE A 106 9.024 31.487 35.652 1.00 35.71 C +ATOM 658 CG1 ILE A 106 9.963 30.970 34.560 1.00 35.05 C +ATOM 659 CG2 ILE A 106 9.801 31.738 36.940 1.00 35.95 C +ATOM 660 CD1 ILE A 106 11.114 31.916 34.247 1.00 29.87 C +ATOM 661 N SER A 107 6.567 30.411 37.970 1.00 42.31 N +ATOM 662 CA SER A 107 5.606 30.909 38.959 1.00 45.66 C +ATOM 663 C SER A 107 5.738 32.408 39.254 1.00 49.22 C +ATOM 664 O SER A 107 4.712 33.031 39.613 1.00 50.34 O +ATOM 665 CB SER A 107 5.740 30.130 40.267 1.00 42.41 C +ATOM 666 OG SER A 107 6.989 30.395 40.869 1.00 39.77 O Added: SwiftApps/modFTdock/input/indata/2yy0-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2yy0-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2yy0-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,748 @@ +ATOM 1 N PRO A 57 3.312 12.171 86.142 1.00 74.07 N +ATOM 2 CA PRO A 57 4.449 12.332 87.089 1.00 73.05 C +ATOM 3 C PRO A 57 5.372 13.466 86.654 1.00 71.61 C +ATOM 4 O PRO A 57 5.672 13.598 85.475 1.00 71.25 O +ATOM 5 CB PRO A 57 5.202 11.005 87.107 1.00 74.07 C +ATOM 6 CG PRO A 57 4.096 10.012 86.672 1.00 74.38 C +ATOM 7 CD PRO A 57 3.263 10.784 85.635 1.00 74.23 C +ATOM 8 N GLU A 58 5.820 14.282 87.606 1.00 72.19 N +ATOM 9 CA GLU A 58 6.723 15.404 87.307 1.00 71.04 C +ATOM 10 C GLU A 58 8.140 14.915 86.976 1.00 68.71 C +ATOM 11 O GLU A 58 9.132 15.329 87.593 1.00 68.59 O +ATOM 12 CB GLU A 58 6.784 16.389 88.483 1.00 73.34 C +ATOM 13 CG GLU A 58 5.462 17.084 88.808 1.00 75.99 C +ATOM 14 CD GLU A 58 4.959 17.964 87.677 1.00 78.02 C +ATOM 15 OE1 GLU A 58 3.950 18.670 87.880 1.00 77.73 O +ATOM 16 OE2 GLU A 58 5.563 17.951 86.585 1.00 78.85 O +ATOM 17 N ASN A 59 8.214 14.026 85.992 1.00 64.36 N +ATOM 18 CA ASN A 59 9.468 13.461 85.527 1.00 59.97 C +ATOM 19 C ASN A 59 9.746 14.149 84.205 1.00 55.94 C +ATOM 20 O ASN A 59 8.860 14.260 83.362 1.00 55.27 O +ATOM 21 CB ASN A 59 9.307 11.945 85.317 1.00 60.42 C +ATOM 22 CG ASN A 59 10.525 11.288 84.665 1.00 59.65 C +ATOM 23 OD1 ASN A 59 10.588 10.067 84.572 1.00 60.52 O +ATOM 24 ND2 ASN A 59 11.482 12.087 84.209 1.00 60.04 N +ATOM 25 N PRO A 60 10.970 14.654 84.022 1.00 52.70 N +ATOM 26 CA PRO A 60 11.283 15.319 82.763 1.00 51.03 C +ATOM 27 C PRO A 60 11.077 14.406 81.544 1.00 49.95 C +ATOM 28 O PRO A 60 10.453 14.812 80.565 1.00 50.18 O +ATOM 29 CB PRO A 60 12.729 15.750 82.971 1.00 51.56 C +ATOM 30 CG PRO A 60 12.746 16.079 84.446 1.00 48.11 C +ATOM 31 CD PRO A 60 12.026 14.900 85.021 1.00 52.00 C +ATOM 32 N GLU A 61 11.556 13.168 81.610 1.00 49.33 N +ATOM 33 CA GLU A 61 11.400 12.242 80.483 1.00 48.44 C +ATOM 34 C GLU A 61 9.938 11.955 80.125 1.00 45.12 C +ATOM 35 O GLU A 61 9.568 11.905 78.948 1.00 44.82 O +ATOM 36 CB GLU A 61 12.117 10.924 80.774 1.00 52.04 C +ATOM 37 CG GLU A 61 12.135 9.976 79.588 1.00 56.72 C +ATOM 38 CD GLU A 61 12.631 10.663 78.323 1.00 63.16 C +ATOM 39 OE1 GLU A 61 13.654 11.386 78.408 1.00 65.37 O +ATOM 40 OE2 GLU A 61 12.004 10.480 77.252 1.00 62.67 O +ATOM 41 N ILE A 62 9.118 11.748 81.147 1.00 41.67 N +ATOM 42 CA ILE A 62 7.699 11.490 80.968 1.00 37.81 C +ATOM 43 C ILE A 62 7.016 12.722 80.369 1.00 37.74 C +ATOM 44 O ILE A 62 6.290 12.613 79.372 1.00 37.01 O +ATOM 45 CB ILE A 62 7.067 11.119 82.329 1.00 39.28 C +ATOM 46 CG1 ILE A 62 7.462 9.677 82.666 1.00 40.05 C +ATOM 47 CG2 ILE A 62 5.543 11.345 82.322 1.00 35.39 C +ATOM 48 CD1 ILE A 62 7.103 9.224 84.064 1.00 43.78 C +ATOM 49 N GLU A 63 7.260 13.892 80.967 1.00 36.15 N +ATOM 50 CA GLU A 63 6.685 15.137 80.482 1.00 34.68 C +ATOM 51 C GLU A 63 7.137 15.425 79.058 1.00 35.37 C +ATOM 52 O GLU A 63 6.356 15.934 78.260 1.00 35.26 O +ATOM 53 CB GLU A 63 7.072 16.312 81.391 1.00 39.20 C +ATOM 54 CG GLU A 63 6.349 16.357 82.735 1.00 41.17 C +ATOM 55 CD GLU A 63 4.870 15.961 82.646 1.00 46.52 C +ATOM 56 OE1 GLU A 63 4.186 16.311 81.653 1.00 49.28 O +ATOM 57 OE2 GLU A 63 4.386 15.302 83.587 1.00 48.31 O +ATOM 58 N LEU A 64 8.394 15.118 78.738 1.00 34.09 N +ATOM 59 CA LEU A 64 8.911 15.324 77.376 1.00 35.24 C +ATOM 60 C LEU A 64 8.083 14.430 76.432 1.00 36.63 C +ATOM 61 O LEU A 64 7.605 14.873 75.380 1.00 37.73 O +ATOM 62 CB LEU A 64 10.405 14.933 77.288 1.00 35.11 C +ATOM 63 CG LEU A 64 11.152 15.119 75.954 1.00 35.33 C +ATOM 64 CD1 LEU A 64 12.553 14.578 76.065 1.00 37.14 C +ATOM 65 CD2 LEU A 64 10.455 14.373 74.851 1.00 41.02 C +ATOM 66 N LEU A 65 7.915 13.170 76.801 1.00 35.01 N +ATOM 67 CA LEU A 65 7.106 12.279 75.971 1.00 36.73 C +ATOM 68 C LEU A 65 5.689 12.814 75.784 1.00 35.26 C +ATOM 69 O LEU A 65 5.120 12.684 74.704 1.00 35.00 O +ATOM 70 CB LEU A 65 7.027 10.888 76.594 1.00 35.24 C +ATOM 71 CG LEU A 65 7.843 9.784 75.931 1.00 39.11 C +ATOM 72 CD1 LEU A 65 9.195 10.285 75.501 1.00 39.81 C +ATOM 73 CD2 LEU A 65 7.983 8.638 76.915 1.00 40.61 C +ATOM 74 N ARG A 66 5.111 13.404 76.830 1.00 35.13 N +ATOM 75 CA ARG A 66 3.750 13.921 76.701 1.00 36.92 C +ATOM 76 C ARG A 66 3.727 15.103 75.759 1.00 36.41 C +ATOM 77 O ARG A 66 2.736 15.332 75.071 1.00 38.76 O +ATOM 78 CB ARG A 66 3.178 14.360 78.047 1.00 34.71 C +ATOM 79 CG ARG A 66 2.855 13.245 78.996 1.00 37.50 C +ATOM 80 CD ARG A 66 2.194 13.829 80.248 1.00 43.71 C +ATOM 81 NE ARG A 66 2.175 12.877 81.351 1.00 46.91 N +ATOM 82 CZ ARG A 66 1.430 11.779 81.378 1.00 49.94 C +ATOM 83 NH1 ARG A 66 0.626 11.491 80.359 1.00 50.37 N +ATOM 84 NH2 ARG A 66 1.511 10.952 82.414 1.00 49.18 N +ATOM 85 N LEU A 67 4.827 15.848 75.725 1.00 37.87 N +ATOM 86 CA LEU A 67 4.922 17.015 74.858 1.00 38.76 C +ATOM 87 C LEU A 67 4.985 16.581 73.397 1.00 36.01 C +ATOM 88 O LEU A 67 4.351 17.180 72.531 1.00 36.97 O +ATOM 89 CB LEU A 67 6.143 17.867 75.229 1.00 37.40 C +ATOM 90 CG LEU A 67 6.449 19.038 74.288 1.00 38.76 C +ATOM 91 CD1 LEU A 67 5.192 19.899 74.107 1.00 35.17 C +ATOM 92 CD2 LEU A 67 7.605 19.869 74.860 1.00 39.00 C +ATOM 93 N GLU A 68 5.737 15.532 73.126 1.00 36.84 N +ATOM 94 CA GLU A 68 5.836 15.006 71.769 1.00 38.54 C +ATOM 95 C GLU A 68 4.494 14.411 71.361 1.00 35.54 C +ATOM 96 O GLU A 68 4.044 14.610 70.241 1.00 35.06 O +ATOM 97 CB GLU A 68 6.915 13.931 71.681 1.00 39.15 C +ATOM 98 CG GLU A 68 8.327 14.469 71.555 1.00 43.17 C +ATOM 99 CD GLU A 68 9.366 13.443 71.974 1.00 48.03 C +ATOM 100 OE1 GLU A 68 8.971 12.349 72.429 1.00 49.11 O +ATOM 101 OE2 GLU A 68 10.575 13.729 71.864 1.00 51.67 O +ATOM 102 N LEU A 69 3.843 13.702 72.272 1.00 33.15 N +ATOM 103 CA LEU A 69 2.543 13.111 71.932 1.00 36.17 C +ATOM 104 C LEU A 69 1.541 14.216 71.569 1.00 35.14 C +ATOM 105 O LEU A 69 0.785 14.109 70.599 1.00 34.37 O +ATOM 106 CB LEU A 69 2.022 12.279 73.107 1.00 34.25 C +ATOM 107 CG LEU A 69 0.708 11.528 72.906 1.00 38.43 C +ATOM 108 CD1 LEU A 69 0.791 10.682 71.634 1.00 36.80 C +ATOM 109 CD2 LEU A 69 0.393 10.683 74.150 1.00 33.22 C +ATOM 110 N ALA A 70 1.575 15.296 72.335 1.00 36.01 N +ATOM 111 CA ALA A 70 0.687 16.430 72.114 1.00 35.76 C +ATOM 112 C ALA A 70 0.962 17.140 70.793 1.00 35.97 C +ATOM 113 O ALA A 70 0.037 17.631 70.144 1.00 35.45 O +ATOM 114 CB ALA A 70 0.820 17.411 73.282 1.00 37.16 C +ATOM 115 N GLU A 71 2.235 17.207 70.403 1.00 37.95 N +ATOM 116 CA GLU A 71 2.635 17.846 69.147 1.00 40.22 C +ATOM 117 C GLU A 71 2.175 17.021 67.952 1.00 40.17 C +ATOM 118 O GLU A 71 1.631 17.557 66.981 1.00 38.36 O +ATOM 119 CB GLU A 71 4.157 17.998 69.063 1.00 43.44 C +ATOM 120 CG GLU A 71 4.713 19.227 69.748 1.00 51.21 C +ATOM 121 CD GLU A 71 6.154 19.490 69.354 1.00 56.18 C +ATOM 122 OE1 GLU A 71 7.050 18.756 69.829 1.00 59.96 O +ATOM 123 OE2 GLU A 71 6.392 20.424 68.556 1.00 57.24 O +ATOM 124 N MET A 72 2.427 15.717 68.017 1.00 39.00 N +ATOM 125 CA MET A 72 2.022 14.813 66.942 1.00 40.63 C +ATOM 126 C MET A 72 0.507 14.876 66.771 1.00 39.50 C +ATOM 127 O MET A 72 0.005 14.808 65.659 1.00 41.65 O +ATOM 128 CB MET A 72 2.437 13.364 67.254 1.00 39.44 C +ATOM 129 CG MET A 72 2.191 12.375 66.100 1.00 38.27 C +ATOM 130 SD MET A 72 3.122 12.791 64.588 1.00 38.28 S +ATOM 131 CE MET A 72 4.647 11.990 64.918 1.00 42.70 C +ATOM 132 N LYS A 73 -0.210 15.012 67.877 1.00 39.62 N +ATOM 133 CA LYS A 73 -1.657 15.071 67.833 1.00 44.10 C +ATOM 134 C LYS A 73 -2.108 16.394 67.204 1.00 45.80 C +ATOM 135 O LYS A 73 -3.106 16.442 66.489 1.00 46.73 O +ATOM 136 CB LYS A 73 -2.224 14.940 69.249 1.00 44.82 C +ATOM 137 CG LYS A 73 -3.595 14.277 69.317 1.00 50.36 C +ATOM 138 CD LYS A 73 -4.632 14.985 68.433 1.00 53.95 C +ATOM 139 CE LYS A 73 -5.965 14.213 68.351 1.00 53.56 C +ATOM 140 NZ LYS A 73 -6.659 14.093 69.671 1.00 54.23 N +ATOM 141 N GLU A 74 -1.368 17.464 67.477 1.00 47.85 N +ATOM 142 CA GLU A 74 -1.685 18.775 66.933 1.00 47.88 C +ATOM 143 C GLU A 74 -1.397 18.749 65.439 1.00 47.06 C +ATOM 144 O GLU A 74 -2.130 19.341 64.652 1.00 44.70 O +ATOM 145 CB GLU A 74 -0.836 19.852 67.608 1.00 51.50 C +ATOM 146 CG GLU A 74 -1.145 21.278 67.164 1.00 56.67 C +ATOM 147 CD GLU A 74 0.018 22.237 67.429 1.00 62.71 C +ATOM 148 OE1 GLU A 74 1.122 21.993 66.881 1.00 65.72 O +ATOM 149 OE2 GLU A 74 -0.164 23.230 68.175 1.00 62.81 O +ATOM 150 N LYS A 75 -0.327 18.068 65.043 1.00 47.21 N +ATOM 151 CA LYS A 75 0.003 17.970 63.624 1.00 49.40 C +ATOM 152 C LYS A 75 -1.057 17.117 62.933 1.00 50.96 C +ATOM 153 O LYS A 75 -1.336 17.280 61.750 1.00 53.68 O +ATOM 154 CB LYS A 75 1.368 17.314 63.415 1.00 48.23 C +ATOM 155 CG LYS A 75 2.568 18.202 63.700 1.00 49.07 C +ATOM 156 CD LYS A 75 3.874 17.409 63.619 1.00 49.35 C +ATOM 157 CE LYS A 75 4.048 16.739 62.261 1.00 51.41 C +ATOM 158 NZ LYS A 75 5.258 15.864 62.211 1.00 51.78 N +ATOM 159 N TYR A 76 -1.661 16.212 63.681 1.00 50.40 N +ATOM 160 CA TYR A 76 -2.662 15.348 63.100 1.00 51.38 C +ATOM 161 C TYR A 76 -4.006 16.017 62.968 1.00 52.35 C +ATOM 162 O TYR A 76 -4.728 15.762 62.013 1.00 52.54 O +ATOM 163 CB TYR A 76 -2.784 14.072 63.920 1.00 47.85 C +ATOM 164 CG TYR A 76 -3.983 13.241 63.563 1.00 46.30 C +ATOM 165 CD1 TYR A 76 -5.209 13.451 64.196 1.00 47.38 C +ATOM 166 CD2 TYR A 76 -3.896 12.238 62.604 1.00 43.60 C +ATOM 167 CE1 TYR A 76 -6.313 12.680 63.888 1.00 45.92 C +ATOM 168 CE2 TYR A 76 -4.995 11.459 62.288 1.00 44.23 C +ATOM 169 CZ TYR A 76 -6.197 11.682 62.933 1.00 46.83 C +ATOM 170 OH TYR A 76 -7.288 10.891 62.649 1.00 51.37 O +ATOM 171 N GLU A 77 -4.350 16.864 63.930 1.00 55.69 N +ATOM 172 CA GLU A 77 -5.626 17.583 63.889 1.00 57.99 C +ATOM 173 C GLU A 77 -5.620 18.663 62.803 1.00 57.29 C +ATOM 174 O GLU A 77 -6.669 19.158 62.401 1.00 58.37 O +ATOM 175 CB GLU A 77 -5.922 18.241 65.242 1.00 60.05 C +ATOM 176 CG GLU A 77 -6.419 17.292 66.322 1.00 63.54 C +ATOM 177 CD GLU A 77 -7.698 16.579 65.925 1.00 65.41 C +ATOM 178 OE1 GLU A 77 -8.612 17.247 65.386 1.00 65.22 O +ATOM 179 OE2 GLU A 77 -7.791 15.356 66.162 1.00 65.82 O +ATOM 180 N ALA A 78 -4.434 19.023 62.331 1.00 56.88 N +ATOM 181 CA ALA A 78 -4.303 20.044 61.304 1.00 57.91 C +ATOM 182 C ALA A 78 -4.573 19.480 59.910 1.00 57.98 C +ATOM 183 O ALA A 78 -5.100 20.175 59.044 1.00 58.37 O +ATOM 184 CB ALA A 78 -2.913 20.666 61.359 1.00 57.30 C +ATOM 185 N ILE A 79 -4.203 18.225 59.688 1.00 58.29 N +ATOM 186 CA ILE A 79 -4.438 17.612 58.391 1.00 58.76 C +ATOM 187 C ILE A 79 -5.905 17.212 58.355 1.00 59.71 C +ATOM 188 O ILE A 79 -6.556 17.329 57.320 1.00 60.08 O +ATOM 189 CB ILE A 79 -3.554 16.361 58.171 1.00 58.74 C +ATOM 190 CG1 ILE A 79 -2.080 16.714 58.354 1.00 57.37 C +ATOM 191 CG2 ILE A 79 -3.760 15.827 56.765 1.00 59.58 C +ATOM 192 CD1 ILE A 79 -1.612 17.856 57.474 1.00 58.46 C +ATOM 193 N VAL A 80 -6.422 16.748 59.494 1.00 60.52 N +ATOM 194 CA VAL A 80 -7.827 16.358 59.588 1.00 61.09 C +ATOM 195 C VAL A 80 -8.640 17.583 59.213 1.00 62.28 C +ATOM 196 O VAL A 80 -9.687 17.479 58.585 1.00 62.80 O +ATOM 197 CB VAL A 80 -8.242 15.957 61.027 1.00 60.41 C +ATOM 198 CG1 VAL A 80 -9.754 15.773 61.093 1.00 59.31 C +ATOM 199 CG2 VAL A 80 -7.544 14.678 61.453 1.00 60.67 C +ATOM 200 N GLU A 81 -8.140 18.744 59.620 1.00 63.02 N +ATOM 201 CA GLU A 81 -8.793 20.013 59.351 1.00 65.12 C +ATOM 202 C GLU A 81 -8.469 20.435 57.929 1.00 65.97 C +ATOM 203 O GLU A 81 -9.290 21.035 57.241 1.00 65.45 O +ATOM 204 CB GLU A 81 -8.296 21.073 60.340 1.00 66.13 C +ATOM 205 CG GLU A 81 -8.982 22.415 60.206 1.00 67.38 C +ATOM 206 CD GLU A 81 -10.486 22.282 60.097 1.00 68.94 C +ATOM 207 OE1 GLU A 81 -11.078 21.504 60.878 1.00 69.86 O +ATOM 208 OE2 GLU A 81 -11.079 22.960 59.232 1.00 71.27 O +ATOM 209 N GLU A 82 -7.259 20.107 57.497 1.00 66.83 N +ATOM 210 CA GLU A 82 -6.808 20.445 56.159 1.00 69.13 C +ATOM 211 C GLU A 82 -7.657 19.718 55.111 1.00 69.99 C +ATOM 212 O GLU A 82 -8.053 20.305 54.103 1.00 70.58 O +ATOM 213 CB GLU A 82 -5.333 20.072 56.014 1.00 70.49 C +ATOM 214 CG GLU A 82 -4.647 20.625 54.782 1.00 72.80 C +ATOM 215 CD GLU A 82 -3.151 20.374 54.807 1.00 75.27 C +ATOM 216 OE1 GLU A 82 -2.480 20.863 55.746 1.00 74.75 O +ATOM 217 OE2 GLU A 82 -2.647 19.685 53.891 1.00 77.99 O +ATOM 218 N ASN A 83 -7.945 18.444 55.354 1.00 70.08 N +ATOM 219 CA ASN A 83 -8.754 17.671 54.425 1.00 71.80 C +ATOM 220 C ASN A 83 -10.203 18.145 54.432 1.00 73.37 C +ATOM 221 O ASN A 83 -10.879 18.099 53.407 1.00 75.52 O +ATOM 222 CB ASN A 83 -8.698 16.184 54.772 1.00 70.52 C +ATOM 223 CG ASN A 83 -7.287 15.638 54.756 1.00 70.26 C +ATOM 224 OD1 ASN A 83 -6.431 16.102 53.994 1.00 68.11 O +ATOM 225 ND2 ASN A 83 -7.038 14.634 55.588 1.00 70.41 N +ATOM 226 N LYS A 84 -10.680 18.593 55.588 1.00 74.80 N +ATOM 227 CA LYS A 84 -12.047 19.088 55.707 1.00 75.92 C +ATOM 228 C LYS A 84 -12.255 20.116 54.603 1.00 75.57 C +ATOM 229 O LYS A 84 -13.225 20.053 53.854 1.00 75.44 O +ATOM 230 CB LYS A 84 -12.258 19.748 57.077 1.00 77.51 C +ATOM 231 CG LYS A 84 -13.644 20.357 57.294 1.00 78.90 C +ATOM 232 CD LYS A 84 -13.704 21.122 58.616 1.00 80.86 C +ATOM 233 CE LYS A 84 -15.102 21.656 58.915 1.00 81.37 C +ATOM 234 NZ LYS A 84 -16.089 20.563 59.149 1.00 80.74 N +ATOM 235 N LYS A 85 -11.327 21.057 54.504 1.00 75.14 N +ATOM 236 CA LYS A 85 -11.411 22.087 53.491 1.00 75.13 C +ATOM 237 C LYS A 85 -11.302 21.488 52.098 1.00 75.04 C +ATOM 238 O LYS A 85 -12.032 21.884 51.192 1.00 76.31 O +ATOM 239 CB LYS A 85 -10.310 23.123 53.694 1.00 76.10 C +ATOM 240 CG LYS A 85 -10.485 23.964 54.946 1.00 77.50 C +ATOM 241 CD LYS A 85 -9.508 25.131 54.953 1.00 79.09 C +ATOM 242 CE LYS A 85 -9.726 26.045 53.750 1.00 80.08 C +ATOM 243 NZ LYS A 85 -8.729 27.152 53.700 1.00 80.74 N +ATOM 244 N LEU A 86 -10.398 20.531 51.922 1.00 73.55 N +ATOM 245 CA LEU A 86 -10.234 19.902 50.617 1.00 73.43 C +ATOM 246 C LEU A 86 -11.519 19.223 50.134 1.00 73.06 C +ATOM 247 O LEU A 86 -12.060 19.592 49.099 1.00 72.40 O +ATOM 248 CB LEU A 86 -9.079 18.890 50.645 1.00 72.47 C +ATOM 249 CG LEU A 86 -7.657 19.460 50.622 1.00 70.81 C +ATOM 250 CD1 LEU A 86 -6.659 18.329 50.688 1.00 69.99 C +ATOM 251 CD2 LEU A 86 -7.440 20.273 49.355 1.00 70.17 C +ATOM 252 N LYS A 87 -12.009 18.243 50.884 1.00 73.63 N +ATOM 253 CA LYS A 87 -13.229 17.534 50.509 1.00 75.19 C +ATOM 254 C LYS A 87 -14.356 18.505 50.172 1.00 76.02 C +ATOM 255 O LYS A 87 -15.078 18.320 49.193 1.00 75.73 O +ATOM 256 CB LYS A 87 -13.686 16.620 51.647 1.00 76.14 C +ATOM 257 CG LYS A 87 -12.733 15.483 51.978 1.00 76.78 C +ATOM 258 CD LYS A 87 -13.217 14.720 53.201 1.00 77.54 C +ATOM 259 CE LYS A 87 -12.229 13.644 53.621 1.00 77.71 C +ATOM 260 NZ LYS A 87 -12.127 12.563 52.604 1.00 78.46 N +ATOM 261 N ALA A 88 -14.499 19.543 50.989 1.00 76.70 N +ATOM 262 CA ALA A 88 -15.547 20.540 50.790 1.00 77.95 C +ATOM 263 C ALA A 88 -15.335 21.387 49.538 1.00 78.16 C +ATOM 264 O ALA A 88 -16.295 21.733 48.848 1.00 78.41 O +ATOM 265 CB ALA A 88 -15.640 21.446 52.012 1.00 77.94 C +ATOM 266 N LYS A 89 -14.080 21.724 49.256 1.00 77.78 N +ATOM 267 CA LYS A 89 -13.741 22.537 48.093 1.00 77.80 C +ATOM 268 C LYS A 89 -13.757 21.688 46.832 1.00 78.69 C +ATOM 269 O LYS A 89 -13.963 22.190 45.729 1.00 78.90 O +ATOM 270 CB LYS A 89 -12.355 23.152 48.288 1.00 77.23 C +ATOM 271 CG LYS A 89 -11.849 23.995 47.127 1.00 76.54 C +ATOM 272 CD LYS A 89 -10.592 24.761 47.529 1.00 75.81 C +ATOM 273 CE LYS A 89 -10.882 25.763 48.646 1.00 75.02 C +ATOM 274 NZ LYS A 89 -9.650 26.374 49.218 1.00 73.86 N +ATOM 275 N LEU A 90 -13.546 20.392 47.017 1.00 80.20 N +ATOM 276 CA LEU A 90 -13.511 19.424 45.929 1.00 81.08 C +ATOM 277 C LEU A 90 -14.897 19.213 45.314 1.00 81.94 C +ATOM 278 O LEU A 90 -15.026 18.996 44.110 1.00 82.08 O +ATOM 279 CB LEU A 90 -12.966 18.107 46.478 1.00 80.64 C +ATOM 280 CG LEU A 90 -12.367 17.042 45.569 1.00 81.13 C +ATOM 281 CD1 LEU A 90 -11.354 17.653 44.608 1.00 80.17 C +ATOM 282 CD2 LEU A 90 -11.711 15.987 46.460 1.00 80.80 C +ATOM 283 N ALA A 91 -15.929 19.282 46.152 1.00 82.83 N +ATOM 284 CA ALA A 91 -17.305 19.099 45.710 1.00 83.94 C +ATOM 285 C ALA A 91 -17.873 20.394 45.143 1.00 84.78 C +ATOM 286 O ALA A 91 -19.084 20.596 45.110 1.00 83.95 O +ATOM 287 CB ALA A 91 -18.159 18.616 46.869 1.00 84.12 C +ATOM 288 N GLN A 92 -16.977 21.272 44.712 1.00 86.95 N +ATOM 289 CA GLN A 92 -17.349 22.553 44.123 1.00 88.63 C +ATOM 290 C GLN A 92 -16.995 22.405 42.645 1.00 90.34 C +ATOM 291 O GLN A 92 -17.249 23.295 41.828 1.00 90.61 O +ATOM 292 CB GLN A 92 -16.528 23.684 44.753 1.00 88.16 C +ATOM 293 CG GLN A 92 -17.150 25.071 44.654 1.00 87.51 C +ATOM 294 CD GLN A 92 -18.327 25.258 45.598 1.00 87.08 C +ATOM 295 OE1 GLN A 92 -18.217 25.003 46.798 1.00 86.05 O +ATOM 296 NE2 GLN A 92 -19.457 25.717 45.062 1.00 85.54 N +ATOM 297 N TYR A 93 -16.388 21.264 42.325 1.00 91.84 N +ATOM 298 CA TYR A 93 -15.997 20.930 40.963 1.00 94.00 C +ATOM 299 C TYR A 93 -16.597 19.573 40.623 1.00 95.40 C +ATOM 300 O TYR A 93 -16.868 19.269 39.459 1.00 95.54 O +ATOM 301 CB TYR A 93 -14.476 20.869 40.832 1.00 94.19 C +ATOM 302 CG TYR A 93 -13.796 22.198 41.052 1.00 95.44 C +ATOM 303 CD1 TYR A 93 -13.408 22.605 42.327 1.00 95.45 C +ATOM 304 CD2 TYR A 93 -13.568 23.066 39.984 1.00 95.60 C +ATOM 305 CE1 TYR A 93 -12.808 23.845 42.533 1.00 96.18 C +ATOM 306 CE2 TYR A 93 -12.971 24.309 40.179 1.00 95.84 C +ATOM 307 CZ TYR A 93 -12.596 24.691 41.454 1.00 96.04 C +ATOM 308 OH TYR A 93 -12.010 25.921 41.650 1.00 96.16 O +ATOM 309 N GLU A 94 -16.801 18.762 41.656 1.00 96.66 N +ATOM 310 CA GLU A 94 -17.386 17.439 41.493 1.00 98.01 C +ATOM 311 C GLU A 94 -18.792 17.433 42.089 1.00 98.95 C +ATOM 312 O GLU A 94 -19.755 17.218 41.322 1.00 99.23 O +ATOM 313 CB GLU A 94 -16.524 16.383 42.191 1.00 98.25 C +ATOM 314 CG GLU A 94 -15.177 16.135 41.528 1.00 98.93 C +ATOM 315 CD GLU A 94 -14.406 14.998 42.178 1.00 99.63 C +ATOM 316 OE1 GLU A 94 -13.348 14.598 41.640 1.00 99.54 O +ATOM 317 OE2 GLU A 94 -14.859 14.507 43.232 1.00 99.86 O +ATOM 318 OXT GLU A 94 -18.912 17.652 43.316 1.00 99.89 O +ATOM 320 N ASN B 42 38.334 10.375 76.284 1.00 65.26 N +ATOM 321 CA ASN B 42 38.421 9.244 75.311 1.00 64.82 C +ATOM 322 C ASN B 42 37.027 8.726 74.930 1.00 64.05 C +ATOM 323 O ASN B 42 36.266 8.273 75.785 1.00 62.85 O +ATOM 324 CB ASN B 42 39.252 8.109 75.918 1.00 66.58 C +ATOM 325 CG ASN B 42 39.404 6.937 74.979 1.00 66.26 C +ATOM 326 OD1 ASN B 42 40.167 6.990 74.011 1.00 67.53 O +ATOM 327 ND2 ASN B 42 38.662 5.870 75.248 1.00 66.51 N +ATOM 328 N SER B 43 36.700 8.786 73.641 1.00 64.18 N +ATOM 329 CA SER B 43 35.391 8.339 73.171 1.00 64.04 C +ATOM 330 C SER B 43 35.121 6.878 73.522 1.00 62.51 C +ATOM 331 O SER B 43 33.981 6.493 73.789 1.00 63.58 O +ATOM 332 CB SER B 43 35.269 8.543 71.660 1.00 64.70 C +ATOM 333 OG SER B 43 36.195 7.731 70.964 1.00 69.97 O +ATOM 334 N ALA B 44 36.165 6.062 73.522 1.00 60.52 N +ATOM 335 CA ALA B 44 35.998 4.655 73.864 1.00 59.02 C +ATOM 336 C ALA B 44 35.578 4.539 75.328 1.00 57.47 C +ATOM 337 O ALA B 44 34.611 3.850 75.647 1.00 56.39 O +ATOM 338 CB ALA B 44 37.287 3.908 73.632 1.00 57.29 C +ATOM 339 N LEU B 45 36.298 5.232 76.209 1.00 56.22 N +ATOM 340 CA LEU B 45 35.992 5.203 77.637 1.00 56.84 C +ATOM 341 C LEU B 45 34.644 5.842 77.936 1.00 58.00 C +ATOM 342 O LEU B 45 33.907 5.377 78.811 1.00 56.82 O +ATOM 343 CB LEU B 45 37.081 5.915 78.440 1.00 55.42 C +ATOM 344 CG LEU B 45 38.428 5.190 78.482 1.00 56.96 C +ATOM 345 CD1 LEU B 45 39.403 5.990 79.323 1.00 55.02 C +ATOM 346 CD2 LEU B 45 38.249 3.774 79.043 1.00 55.51 C +ATOM 347 N ASP B 46 34.332 6.914 77.212 1.00 57.86 N +ATOM 348 CA ASP B 46 33.070 7.603 77.390 1.00 56.29 C +ATOM 349 C ASP B 46 31.937 6.635 77.153 1.00 55.11 C +ATOM 350 O ASP B 46 31.081 6.452 78.010 1.00 55.98 O +ATOM 351 CB ASP B 46 32.965 8.772 76.419 1.00 59.90 C +ATOM 352 CG ASP B 46 33.278 10.093 77.076 1.00 63.01 C +ATOM 353 OD1 ASP B 46 34.365 10.213 77.686 1.00 64.96 O +ATOM 354 OD2 ASP B 46 32.433 11.009 76.983 1.00 64.89 O +ATOM 355 N PHE B 47 31.930 6.005 75.987 1.00 54.14 N +ATOM 356 CA PHE B 47 30.881 5.046 75.673 1.00 52.80 C +ATOM 357 C PHE B 47 30.797 3.991 76.765 1.00 52.65 C +ATOM 358 O PHE B 47 29.704 3.609 77.188 1.00 51.42 O +ATOM 359 CB PHE B 47 31.164 4.378 74.332 1.00 52.27 C +ATOM 360 CG PHE B 47 30.194 3.283 73.976 1.00 52.33 C +ATOM 361 CD1 PHE B 47 30.295 2.025 74.561 1.00 51.62 C +ATOM 362 CD2 PHE B 47 29.192 3.507 73.038 1.00 52.45 C +ATOM 363 CE1 PHE B 47 29.418 1.010 74.219 1.00 50.72 C +ATOM 364 CE2 PHE B 47 28.309 2.497 72.690 1.00 53.33 C +ATOM 365 CZ PHE B 47 28.422 1.246 73.280 1.00 52.76 C +ATOM 366 N LEU B 48 31.951 3.520 77.224 1.00 52.63 N +ATOM 367 CA LEU B 48 31.959 2.500 78.266 1.00 53.07 C +ATOM 368 C LEU B 48 31.301 3.024 79.538 1.00 52.60 C +ATOM 369 O LEU B 48 30.503 2.326 80.160 1.00 50.78 O +ATOM 370 CB LEU B 48 33.387 2.052 78.584 1.00 52.99 C +ATOM 371 CG LEU B 48 33.460 0.755 79.404 1.00 54.51 C +ATOM 372 CD1 LEU B 48 33.085 -0.425 78.515 1.00 53.13 C +ATOM 373 CD2 LEU B 48 34.849 0.566 79.971 1.00 54.21 C +ATOM 374 N LYS B 49 31.642 4.257 79.906 1.00 55.55 N +ATOM 375 CA LYS B 49 31.116 4.915 81.103 1.00 58.37 C +ATOM 376 C LYS B 49 29.593 5.118 81.098 1.00 59.59 C +ATOM 377 O LYS B 49 28.974 5.205 82.159 1.00 59.92 O +ATOM 378 CB LYS B 49 31.810 6.270 81.295 1.00 58.80 C +ATOM 379 CG LYS B 49 31.375 7.023 82.538 1.00 62.21 C +ATOM 380 CD LYS B 49 31.884 8.462 82.550 1.00 66.92 C +ATOM 381 CE LYS B 49 33.409 8.525 82.544 1.00 70.14 C +ATOM 382 NZ LYS B 49 34.007 7.827 83.724 1.00 72.86 N +ATOM 383 N HIS B 50 28.992 5.194 79.914 1.00 60.71 N +ATOM 384 CA HIS B 50 27.549 5.381 79.809 1.00 63.37 C +ATOM 385 C HIS B 50 26.812 4.058 79.757 1.00 63.67 C +ATOM 386 O HIS B 50 25.690 3.951 80.251 1.00 65.88 O +ATOM 387 CB HIS B 50 27.189 6.180 78.553 1.00 64.31 C +ATOM 388 CG HIS B 50 27.697 7.586 78.566 1.00 67.74 C +ATOM 389 ND1 HIS B 50 27.509 8.454 77.513 1.00 69.22 N +ATOM 390 CD2 HIS B 50 28.394 8.272 79.502 1.00 68.32 C +ATOM 391 CE1 HIS B 50 28.070 9.616 77.799 1.00 69.94 C +ATOM 392 NE2 HIS B 50 28.614 9.532 78.999 1.00 69.59 N +ATOM 393 N HIS B 51 27.436 3.050 79.158 1.00 62.91 N +ATOM 394 CA HIS B 51 26.797 1.746 79.028 1.00 62.50 C +ATOM 395 C HIS B 51 27.088 0.791 80.163 1.00 61.59 C +ATOM 396 O HIS B 51 26.853 -0.413 80.046 1.00 62.63 O +ATOM 397 CB HIS B 51 27.183 1.095 77.702 1.00 64.13 C +ATOM 398 CG HIS B 51 26.541 1.735 76.513 1.00 66.22 C +ATOM 399 ND1 HIS B 51 26.795 3.039 76.141 1.00 66.54 N +ATOM 400 CD2 HIS B 51 25.631 1.261 75.629 1.00 67.49 C +ATOM 401 CE1 HIS B 51 26.068 3.340 75.080 1.00 68.10 C +ATOM 402 NE2 HIS B 51 25.352 2.279 74.749 1.00 68.61 N +ATOM 403 N LEU B 52 27.605 1.326 81.262 1.00 59.39 N +ATOM 404 CA LEU B 52 27.896 0.513 82.428 1.00 59.56 C +ATOM 405 C LEU B 52 27.271 1.181 83.642 1.00 60.89 C +ATOM 406 O LEU B 52 27.259 2.403 83.742 1.00 59.86 O +ATOM 407 CB LEU B 52 29.403 0.378 82.613 1.00 58.31 C +ATOM 408 CG LEU B 52 29.982 -1.034 82.572 1.00 56.04 C +ATOM 409 CD1 LEU B 52 29.213 -1.920 81.615 1.00 55.70 C +ATOM 410 CD2 LEU B 52 31.419 -0.926 82.148 1.00 55.97 C +ATOM 411 N GLY B 53 26.738 0.377 84.554 1.00 63.96 N +ATOM 412 CA GLY B 53 26.113 0.926 85.744 1.00 67.86 C +ATOM 413 C GLY B 53 24.666 0.494 85.873 1.00 70.91 C +ATOM 414 O GLY B 53 24.230 -0.459 85.228 1.00 71.17 O +ATOM 415 N ALA B 54 23.915 1.200 86.708 1.00 74.11 N +ATOM 416 CA ALA B 54 22.511 0.874 86.922 1.00 76.95 C +ATOM 417 C ALA B 54 21.671 1.196 85.697 1.00 79.17 C +ATOM 418 O ALA B 54 21.484 2.366 85.357 1.00 79.86 O +ATOM 419 CB ALA B 54 21.982 1.638 88.124 1.00 75.87 C +ATOM 420 N ALA B 55 21.166 0.161 85.032 1.00 81.53 N +ATOM 421 CA ALA B 55 20.328 0.363 83.854 1.00 83.56 C +ATOM 422 C ALA B 55 19.061 1.079 84.311 1.00 84.82 C +ATOM 423 O ALA B 55 18.805 1.195 85.512 1.00 85.12 O +ATOM 424 CB ALA B 55 19.977 -0.978 83.217 1.00 83.28 C +ATOM 425 N THR B 56 18.269 1.562 83.362 1.00 85.77 N +ATOM 426 CA THR B 56 17.034 2.265 83.701 1.00 86.16 C +ATOM 427 C THR B 56 15.879 1.280 83.939 1.00 85.69 C +ATOM 428 O THR B 56 15.561 0.459 83.076 1.00 85.93 O +ATOM 429 CB THR B 56 16.633 3.254 82.575 1.00 86.39 C +ATOM 430 OG1 THR B 56 17.742 4.110 82.267 1.00 86.53 O +ATOM 431 CG2 THR B 56 15.451 4.110 83.010 1.00 86.56 C +ATOM 432 N PRO B 57 15.249 1.337 85.127 1.00 84.66 N +ATOM 433 CA PRO B 57 14.137 0.426 85.415 1.00 83.25 C +ATOM 434 C PRO B 57 13.003 0.708 84.438 1.00 81.87 C +ATOM 435 O PRO B 57 12.694 1.868 84.156 1.00 81.95 O +ATOM 436 CB PRO B 57 13.754 0.787 86.848 1.00 83.60 C +ATOM 437 CG PRO B 57 15.039 1.290 87.428 1.00 84.25 C +ATOM 438 CD PRO B 57 15.582 2.144 86.313 1.00 84.68 C +ATOM 439 N GLU B 58 12.389 -0.349 83.919 1.00 79.60 N +ATOM 440 CA GLU B 58 11.294 -0.190 82.970 1.00 76.81 C +ATOM 441 C GLU B 58 10.085 0.487 83.602 1.00 72.44 C +ATOM 442 O GLU B 58 9.380 -0.119 84.403 1.00 73.02 O +ATOM 443 CB GLU B 58 10.881 -1.552 82.400 1.00 78.75 C +ATOM 444 CG GLU B 58 11.416 -1.848 80.989 1.00 81.15 C +ATOM 445 CD GLU B 58 12.936 -1.877 80.907 1.00 81.59 C +ATOM 446 OE1 GLU B 58 13.568 -0.819 81.136 1.00 81.27 O +ATOM 447 OE2 GLU B 58 13.493 -2.960 80.612 1.00 80.08 O +ATOM 448 N ASN B 59 9.857 1.748 83.250 1.00 66.94 N +ATOM 449 CA ASN B 59 8.714 2.479 83.779 1.00 62.61 C +ATOM 450 C ASN B 59 7.513 2.248 82.860 1.00 58.46 C +ATOM 451 O ASN B 59 7.569 2.540 81.666 1.00 56.97 O +ATOM 452 CB ASN B 59 9.015 3.977 83.860 1.00 63.71 C +ATOM 453 CG ASN B 59 7.867 4.766 84.476 1.00 64.99 C +ATOM 454 OD1 ASN B 59 6.713 4.596 84.094 1.00 63.88 O +ATOM 455 ND2 ASN B 59 8.183 5.635 85.431 1.00 66.67 N +ATOM 456 N PRO B 60 6.414 1.713 83.408 1.00 54.12 N +ATOM 457 CA PRO B 60 5.176 1.422 82.676 1.00 50.83 C +ATOM 458 C PRO B 60 4.509 2.641 82.012 1.00 48.01 C +ATOM 459 O PRO B 60 3.860 2.513 80.969 1.00 44.41 O +ATOM 460 CB PRO B 60 4.290 0.789 83.744 1.00 50.88 C +ATOM 461 CG PRO B 60 5.262 0.139 84.646 1.00 53.29 C +ATOM 462 CD PRO B 60 6.336 1.189 84.778 1.00 53.78 C +ATOM 463 N GLU B 61 4.662 3.815 82.618 1.00 45.85 N +ATOM 464 CA GLU B 61 4.077 5.024 82.061 1.00 44.43 C +ATOM 465 C GLU B 61 4.814 5.392 80.795 1.00 42.93 C +ATOM 466 O GLU B 61 4.199 5.783 79.808 1.00 44.36 O +ATOM 467 CB GLU B 61 4.144 6.182 83.065 1.00 46.53 C +ATOM 468 CG GLU B 61 3.574 7.493 82.542 1.00 51.19 C +ATOM 469 CD GLU B 61 2.170 7.345 81.947 1.00 57.37 C +ATOM 470 OE1 GLU B 61 1.624 8.349 81.426 1.00 59.08 O +ATOM 471 OE2 GLU B 61 1.605 6.227 81.991 1.00 60.61 O +ATOM 472 N ILE B 62 6.135 5.247 80.812 1.00 42.31 N +ATOM 473 CA ILE B 62 6.942 5.576 79.647 1.00 40.68 C +ATOM 474 C ILE B 62 6.638 4.628 78.482 1.00 42.50 C +ATOM 475 O ILE B 62 6.535 5.057 77.332 1.00 42.94 O +ATOM 476 CB ILE B 62 8.432 5.529 80.003 1.00 40.14 C +ATOM 477 CG1 ILE B 62 8.735 6.640 81.006 1.00 40.15 C +ATOM 478 CG2 ILE B 62 9.301 5.676 78.747 1.00 37.81 C +ATOM 479 CD1 ILE B 62 10.176 6.697 81.429 1.00 40.99 C +ATOM 480 N GLU B 63 6.468 3.344 78.776 1.00 42.00 N +ATOM 481 CA GLU B 63 6.169 2.367 77.727 1.00 42.32 C +ATOM 482 C GLU B 63 4.819 2.687 77.078 1.00 39.89 C +ATOM 483 O GLU B 63 4.679 2.594 75.858 1.00 39.29 O +ATOM 484 CB GLU B 63 6.172 0.961 78.321 1.00 45.93 C +ATOM 485 CG GLU B 63 7.480 0.638 79.026 1.00 53.12 C +ATOM 486 CD GLU B 63 7.432 -0.660 79.800 1.00 59.93 C +ATOM 487 OE1 GLU B 63 6.500 -0.815 80.621 1.00 62.92 O +ATOM 488 OE2 GLU B 63 8.328 -1.517 79.595 1.00 62.19 O +ATOM 489 N LEU B 64 3.839 3.073 77.896 1.00 35.70 N +ATOM 490 CA LEU B 64 2.530 3.440 77.388 1.00 34.70 C +ATOM 491 C LEU B 64 2.671 4.594 76.414 1.00 32.06 C +ATOM 492 O LEU B 64 2.322 4.469 75.244 1.00 33.75 O +ATOM 493 CB LEU B 64 1.605 3.881 78.518 1.00 35.03 C +ATOM 494 CG LEU B 64 0.539 2.931 79.068 1.00 39.54 C +ATOM 495 CD1 LEU B 64 -0.336 3.742 80.032 1.00 42.16 C +ATOM 496 CD2 LEU B 64 -0.334 2.322 77.960 1.00 34.57 C +ATOM 497 N LEU B 65 3.192 5.714 76.912 1.00 30.60 N +ATOM 498 CA LEU B 65 3.392 6.919 76.118 1.00 29.23 C +ATOM 499 C LEU B 65 4.150 6.638 74.816 1.00 30.68 C +ATOM 500 O LEU B 65 3.815 7.181 73.742 1.00 29.78 O +ATOM 501 CB LEU B 65 4.140 7.971 76.952 1.00 31.11 C +ATOM 502 CG LEU B 65 3.330 8.782 77.962 1.00 32.56 C +ATOM 503 CD1 LEU B 65 4.242 9.513 78.903 1.00 34.40 C +ATOM 504 CD2 LEU B 65 2.447 9.789 77.203 1.00 35.82 C +ATOM 505 N ARG B 66 5.189 5.818 74.890 1.00 26.68 N +ATOM 506 CA ARG B 66 5.892 5.504 73.661 1.00 32.12 C +ATOM 507 C ARG B 66 4.921 4.809 72.684 1.00 33.10 C +ATOM 508 O ARG B 66 4.964 5.087 71.479 1.00 31.39 O +ATOM 509 CB ARG B 66 7.106 4.599 73.918 1.00 34.55 C +ATOM 510 CG ARG B 66 8.287 5.292 74.580 1.00 41.49 C +ATOM 511 CD ARG B 66 9.556 4.451 74.424 1.00 47.85 C +ATOM 512 NE ARG B 66 10.655 4.950 75.246 1.00 50.65 N +ATOM 513 CZ ARG B 66 11.277 6.109 75.057 1.00 52.59 C +ATOM 514 NH1 ARG B 66 10.926 6.912 74.061 1.00 52.89 N +ATOM 515 NH2 ARG B 66 12.243 6.475 75.885 1.00 54.11 N +ATOM 516 N LEU B 67 4.049 3.926 73.191 1.00 30.30 N +ATOM 517 CA LEU B 67 3.092 3.239 72.315 1.00 31.60 C +ATOM 518 C LEU B 67 2.015 4.198 71.816 1.00 31.16 C +ATOM 519 O LEU B 67 1.441 3.997 70.733 1.00 28.83 O +ATOM 520 CB LEU B 67 2.420 2.047 73.017 1.00 32.43 C +ATOM 521 CG LEU B 67 3.288 0.807 73.300 1.00 35.13 C +ATOM 522 CD1 LEU B 67 2.493 -0.191 74.107 1.00 38.08 C +ATOM 523 CD2 LEU B 67 3.745 0.163 72.005 1.00 38.05 C +ATOM 524 N GLU B 68 1.718 5.234 72.593 1.00 28.79 N +ATOM 525 CA GLU B 68 0.701 6.189 72.137 1.00 31.39 C +ATOM 526 C GLU B 68 1.329 7.030 71.041 1.00 30.83 C +ATOM 527 O GLU B 68 0.697 7.321 70.031 1.00 29.11 O +ATOM 528 CB GLU B 68 0.207 7.061 73.289 1.00 33.42 C +ATOM 529 CG GLU B 68 -0.860 6.376 74.136 1.00 37.77 C +ATOM 530 CD GLU B 68 -0.908 6.893 75.561 1.00 42.40 C +ATOM 531 OE1 GLU B 68 -1.800 6.471 76.330 1.00 48.81 O +ATOM 532 OE2 GLU B 68 -0.047 7.710 75.923 1.00 44.69 O +ATOM 533 N LEU B 69 2.602 7.368 71.223 1.00 31.44 N +ATOM 534 CA LEU B 69 3.314 8.147 70.237 1.00 29.57 C +ATOM 535 C LEU B 69 3.361 7.385 68.936 1.00 28.73 C +ATOM 536 O LEU B 69 2.998 7.912 67.891 1.00 30.01 O +ATOM 537 CB LEU B 69 4.719 8.455 70.717 1.00 31.47 C +ATOM 538 CG LEU B 69 5.356 9.660 70.022 1.00 35.06 C +ATOM 539 CD1 LEU B 69 4.402 10.855 70.145 1.00 34.53 C +ATOM 540 CD2 LEU B 69 6.735 9.955 70.630 1.00 34.34 C +ATOM 541 N ALA B 70 3.815 6.142 68.984 1.00 31.87 N +ATOM 542 CA ALA B 70 3.861 5.290 67.781 1.00 33.58 C +ATOM 543 C ALA B 70 2.492 5.189 67.130 1.00 33.25 C +ATOM 544 O ALA B 70 2.353 5.300 65.933 1.00 36.20 O +ATOM 545 CB ALA B 70 4.330 3.888 68.144 1.00 34.96 C +ATOM 546 N GLU B 71 1.474 4.962 67.939 1.00 36.34 N +ATOM 547 CA GLU B 71 0.106 4.842 67.460 1.00 37.74 C +ATOM 548 C GLU B 71 -0.353 6.143 66.755 1.00 38.39 C +ATOM 549 O GLU B 71 -0.876 6.123 65.626 1.00 35.98 O +ATOM 550 CB GLU B 71 -0.777 4.538 68.670 1.00 45.29 C +ATOM 551 CG GLU B 71 -2.094 3.883 68.368 1.00 51.37 C +ATOM 552 CD GLU B 71 -2.945 4.757 67.513 1.00 55.66 C +ATOM 553 OE1 GLU B 71 -3.176 5.909 67.936 1.00 57.51 O +ATOM 554 OE2 GLU B 71 -3.370 4.300 66.424 1.00 58.87 O +ATOM 555 N MET B 72 -0.142 7.275 67.421 1.00 38.05 N +ATOM 556 CA MET B 72 -0.534 8.574 66.878 1.00 37.31 C +ATOM 557 C MET B 72 0.205 8.839 65.570 1.00 37.32 C +ATOM 558 O MET B 72 -0.375 9.360 64.625 1.00 36.37 O +ATOM 559 CB MET B 72 -0.229 9.675 67.901 1.00 39.30 C +ATOM 560 CG MET B 72 -0.690 11.094 67.502 1.00 43.09 C +ATOM 561 SD MET B 72 -2.470 11.243 67.103 1.00 45.97 S +ATOM 562 CE MET B 72 -3.193 10.116 68.228 1.00 42.81 C +ATOM 563 N LYS B 73 1.483 8.468 65.512 1.00 37.97 N +ATOM 564 CA LYS B 73 2.268 8.668 64.306 1.00 40.72 C +ATOM 565 C LYS B 73 1.719 7.805 63.169 1.00 44.38 C +ATOM 566 O LYS B 73 1.765 8.192 62.003 1.00 45.08 O +ATOM 567 CB LYS B 73 3.723 8.309 64.569 1.00 42.56 C +ATOM 568 CG LYS B 73 4.661 8.699 63.441 1.00 44.78 C +ATOM 569 CD LYS B 73 6.102 8.385 63.773 1.00 45.38 C +ATOM 570 CE LYS B 73 7.017 8.831 62.642 1.00 49.11 C +ATOM 571 NZ LYS B 73 6.629 8.199 61.352 1.00 49.14 N +ATOM 572 N GLU B 74 1.206 6.627 63.507 1.00 46.19 N +ATOM 573 CA GLU B 74 0.631 5.754 62.498 1.00 47.78 C +ATOM 574 C GLU B 74 -0.562 6.465 61.886 1.00 46.55 C +ATOM 575 O GLU B 74 -0.662 6.564 60.677 1.00 46.29 O +ATOM 576 CB GLU B 74 0.147 4.443 63.119 1.00 52.97 C +ATOM 577 CG GLU B 74 1.230 3.422 63.393 1.00 62.44 C +ATOM 578 CD GLU B 74 1.421 2.456 62.237 1.00 68.06 C +ATOM 579 OE1 GLU B 74 1.683 2.931 61.110 1.00 70.78 O +ATOM 580 OE2 GLU B 74 1.307 1.225 62.454 1.00 69.72 O +ATOM 581 N LYS B 75 -1.466 6.958 62.729 1.00 45.81 N +ATOM 582 CA LYS B 75 -2.664 7.635 62.248 1.00 47.88 C +ATOM 583 C LYS B 75 -2.354 8.869 61.424 1.00 49.62 C +ATOM 584 O LYS B 75 -2.990 9.126 60.408 1.00 49.79 O +ATOM 585 CB LYS B 75 -3.585 8.028 63.413 1.00 47.18 C +ATOM 586 CG LYS B 75 -4.440 6.880 63.953 1.00 50.30 C +ATOM 587 CD LYS B 75 -5.675 7.380 64.729 1.00 51.62 C +ATOM 588 CE LYS B 75 -5.292 8.250 65.921 1.00 53.78 C +ATOM 589 NZ LYS B 75 -6.451 9.021 66.476 1.00 55.41 N +ATOM 590 N TYR B 76 -1.372 9.635 61.875 1.00 50.45 N +ATOM 591 CA TYR B 76 -0.974 10.846 61.184 1.00 49.49 C +ATOM 592 C TYR B 76 -0.483 10.557 59.769 1.00 48.77 C +ATOM 593 O TYR B 76 -0.903 11.204 58.811 1.00 49.18 O +ATOM 594 CB TYR B 76 0.124 11.546 61.976 1.00 48.01 C +ATOM 595 CG TYR B 76 0.818 12.621 61.204 1.00 46.42 C +ATOM 596 CD1 TYR B 76 0.284 13.909 61.127 1.00 46.30 C +ATOM 597 CD2 TYR B 76 2.016 12.351 60.540 1.00 45.53 C +ATOM 598 CE1 TYR B 76 0.934 14.906 60.411 1.00 48.02 C +ATOM 599 CE2 TYR B 76 2.672 13.333 59.821 1.00 48.04 C +ATOM 600 CZ TYR B 76 2.128 14.612 59.759 1.00 49.07 C +ATOM 601 OH TYR B 76 2.789 15.588 59.043 1.00 50.41 O +ATOM 602 N GLU B 77 0.421 9.600 59.640 1.00 48.19 N +ATOM 603 CA GLU B 77 0.950 9.242 58.328 1.00 50.29 C +ATOM 604 C GLU B 77 -0.148 8.725 57.369 1.00 49.45 C +ATOM 605 O GLU B 77 -0.050 8.886 56.156 1.00 46.85 O +ATOM 606 CB GLU B 77 2.057 8.185 58.482 1.00 53.81 C +ATOM 607 CG GLU B 77 3.295 8.645 59.274 1.00 58.49 C +ATOM 608 CD GLU B 77 4.137 9.696 58.543 1.00 62.61 C +ATOM 609 OE1 GLU B 77 5.168 10.136 59.105 1.00 65.02 O +ATOM 610 OE2 GLU B 77 3.774 10.082 57.410 1.00 63.54 O +ATOM 611 N ALA B 78 -1.192 8.103 57.906 1.00 48.44 N +ATOM 612 CA ALA B 78 -2.268 7.601 57.056 1.00 48.50 C +ATOM 613 C ALA B 78 -2.986 8.780 56.413 1.00 49.82 C +ATOM 614 O ALA B 78 -3.210 8.812 55.204 1.00 50.45 O +ATOM 615 CB ALA B 78 -3.263 6.791 57.872 1.00 45.11 C +ATOM 616 N ILE B 79 -3.345 9.746 57.242 1.00 50.61 N +ATOM 617 CA ILE B 79 -4.060 10.922 56.795 1.00 52.30 C +ATOM 618 C ILE B 79 -3.205 11.784 55.876 1.00 53.02 C +ATOM 619 O ILE B 79 -3.718 12.564 55.080 1.00 54.37 O +ATOM 620 CB ILE B 79 -4.528 11.741 58.006 1.00 52.36 C +ATOM 621 CG1 ILE B 79 -5.904 12.335 57.724 1.00 52.67 C +ATOM 622 CG2 ILE B 79 -3.514 12.838 58.324 1.00 53.56 C +ATOM 623 CD1 ILE B 79 -6.543 12.978 58.941 1.00 52.55 C +ATOM 624 N VAL B 80 -1.891 11.661 55.988 1.00 53.71 N +ATOM 625 CA VAL B 80 -1.027 12.440 55.119 1.00 52.44 C +ATOM 626 C VAL B 80 -1.174 11.841 53.729 1.00 52.50 C +ATOM 627 O VAL B 80 -1.092 12.546 52.727 1.00 51.81 O +ATOM 628 CB VAL B 80 0.443 12.368 55.575 1.00 52.79 C +ATOM 629 CG1 VAL B 80 1.369 13.001 54.517 1.00 53.58 C +ATOM 630 CG2 VAL B 80 0.591 13.095 56.896 1.00 53.98 C +ATOM 631 N GLU B 81 -1.400 10.530 53.676 1.00 54.51 N +ATOM 632 CA GLU B 81 -1.586 9.827 52.409 1.00 55.26 C +ATOM 633 C GLU B 81 -2.894 10.295 51.785 1.00 54.38 C +ATOM 634 O GLU B 81 -2.937 10.665 50.613 1.00 53.55 O +ATOM 635 CB GLU B 81 -1.628 8.315 52.636 1.00 58.22 C +ATOM 636 CG GLU B 81 -0.274 7.703 52.942 1.00 65.91 C +ATOM 637 CD GLU B 81 0.676 7.760 51.754 1.00 69.58 C +ATOM 638 OE1 GLU B 81 0.593 6.866 50.882 1.00 72.39 O +ATOM 639 OE2 GLU B 81 1.497 8.704 51.688 1.00 71.86 O +ATOM 640 N GLU B 82 -3.957 10.291 52.580 1.00 53.22 N +ATOM 641 CA GLU B 82 -5.244 10.724 52.088 1.00 55.42 C +ATOM 642 C GLU B 82 -5.156 12.185 51.662 1.00 54.23 C +ATOM 643 O GLU B 82 -5.613 12.559 50.584 1.00 54.38 O +ATOM 644 CB GLU B 82 -6.313 10.546 53.171 1.00 58.31 C +ATOM 645 CG GLU B 82 -7.565 9.860 52.653 1.00 64.92 C +ATOM 646 CD GLU B 82 -8.177 10.586 51.461 1.00 67.70 C +ATOM 647 OE1 GLU B 82 -8.902 11.584 51.670 1.00 68.88 O +ATOM 648 OE2 GLU B 82 -7.921 10.163 50.312 1.00 69.38 O +ATOM 649 N ASN B 83 -4.553 13.009 52.511 1.00 53.42 N +ATOM 650 CA ASN B 83 -4.406 14.427 52.219 1.00 52.22 C +ATOM 651 C ASN B 83 -3.723 14.615 50.873 1.00 51.28 C +ATOM 652 O ASN B 83 -4.071 15.517 50.118 1.00 51.45 O +ATOM 653 CB ASN B 83 -3.599 15.115 53.328 1.00 52.18 C +ATOM 654 CG ASN B 83 -3.285 16.568 53.014 1.00 52.45 C +ATOM 655 OD1 ASN B 83 -4.168 17.431 53.013 1.00 54.76 O +ATOM 656 ND2 ASN B 83 -2.018 16.845 52.742 1.00 51.61 N +ATOM 657 N LYS B 84 -2.754 13.763 50.563 1.00 50.05 N +ATOM 658 CA LYS B 84 -2.066 13.888 49.293 1.00 51.10 C +ATOM 659 C LYS B 84 -2.973 13.482 48.130 1.00 51.46 C +ATOM 660 O LYS B 84 -2.853 14.021 47.026 1.00 49.39 O +ATOM 661 CB LYS B 84 -0.786 13.047 49.289 1.00 53.07 C +ATOM 662 CG LYS B 84 0.223 13.459 50.366 1.00 56.25 C +ATOM 663 CD LYS B 84 1.643 13.037 50.023 1.00 58.96 C +ATOM 664 CE LYS B 84 1.740 11.554 49.741 1.00 61.19 C +ATOM 665 NZ LYS B 84 3.102 11.196 49.253 1.00 65.55 N +ATOM 666 N LYS B 85 -3.884 12.541 48.374 1.00 51.36 N +ATOM 667 CA LYS B 85 -4.799 12.101 47.327 1.00 52.42 C +ATOM 668 C LYS B 85 -5.825 13.194 47.018 1.00 51.36 C +ATOM 669 O LYS B 85 -6.104 13.478 45.853 1.00 49.63 O +ATOM 670 CB LYS B 85 -5.504 10.803 47.734 1.00 55.33 C +ATOM 671 CG LYS B 85 -4.585 9.576 47.735 1.00 59.60 C +ATOM 672 CD LYS B 85 -5.354 8.290 48.047 1.00 62.40 C +ATOM 673 CE LYS B 85 -4.423 7.086 48.119 1.00 62.79 C +ATOM 674 NZ LYS B 85 -3.605 6.968 46.880 1.00 64.69 N +ATOM 675 N LEU B 86 -6.376 13.806 48.061 1.00 50.86 N +ATOM 676 CA LEU B 86 -7.336 14.875 47.878 1.00 51.62 C +ATOM 677 C LEU B 86 -6.700 15.965 47.035 1.00 52.79 C +ATOM 678 O LEU B 86 -7.330 16.475 46.114 1.00 54.18 O +ATOM 679 CB LEU B 86 -7.768 15.452 49.223 1.00 51.28 C +ATOM 680 CG LEU B 86 -8.611 14.540 50.121 1.00 53.69 C +ATOM 681 CD1 LEU B 86 -8.967 15.289 51.406 1.00 50.75 C +ATOM 682 CD2 LEU B 86 -9.877 14.098 49.380 1.00 50.53 C +ATOM 683 N LYS B 87 -5.452 16.316 47.342 1.00 53.71 N +ATOM 684 CA LYS B 87 -4.729 17.355 46.595 1.00 55.27 C +ATOM 685 C LYS B 87 -4.542 16.986 45.122 1.00 54.57 C +ATOM 686 O LYS B 87 -4.566 17.850 44.249 1.00 53.10 O +ATOM 687 CB LYS B 87 -3.354 17.619 47.219 1.00 56.25 C +ATOM 688 CG LYS B 87 -3.387 18.163 48.641 1.00 58.63 C +ATOM 689 CD LYS B 87 -1.968 18.380 49.169 1.00 61.39 C +ATOM 690 CE LYS B 87 -1.974 18.823 50.622 1.00 63.05 C +ATOM 691 NZ LYS B 87 -2.780 20.055 50.822 1.00 64.74 N +ATOM 692 N ALA B 88 -4.337 15.701 44.856 1.00 55.29 N +ATOM 693 CA ALA B 88 -4.171 15.221 43.492 1.00 56.71 C +ATOM 694 C ALA B 88 -5.479 15.442 42.725 1.00 57.69 C +ATOM 695 O ALA B 88 -5.471 15.841 41.565 1.00 58.22 O +ATOM 696 CB ALA B 88 -3.809 13.745 43.502 1.00 56.92 C +ATOM 697 N LYS B 89 -6.607 15.183 43.379 1.00 58.55 N +ATOM 698 CA LYS B 89 -7.896 15.378 42.736 1.00 58.78 C +ATOM 699 C LYS B 89 -8.144 16.844 42.394 1.00 58.04 C +ATOM 700 O LYS B 89 -8.535 17.163 41.271 1.00 58.28 O +ATOM 701 CB LYS B 89 -9.025 14.828 43.611 1.00 61.12 C +ATOM 702 CG LYS B 89 -9.213 13.324 43.457 1.00 63.79 C +ATOM 703 CD LYS B 89 -10.486 12.827 44.126 1.00 67.46 C +ATOM 704 CE LYS B 89 -10.395 12.872 45.646 1.00 69.20 C +ATOM 705 NZ LYS B 89 -11.629 12.335 46.299 1.00 70.78 N +ATOM 706 N LEU B 90 -7.906 17.740 43.346 1.00 56.90 N +ATOM 707 CA LEU B 90 -8.102 19.155 43.084 1.00 56.71 C +ATOM 708 C LEU B 90 -7.255 19.638 41.911 1.00 56.51 C +ATOM 709 O LEU B 90 -7.635 20.566 41.194 1.00 57.31 O +ATOM 710 CB LEU B 90 -7.771 19.984 44.320 1.00 57.62 C +ATOM 711 CG LEU B 90 -8.933 20.254 45.275 1.00 60.24 C +ATOM 712 CD1 LEU B 90 -8.487 21.317 46.270 1.00 62.91 C +ATOM 713 CD2 LEU B 90 -10.171 20.741 44.513 1.00 58.67 C +ATOM 714 N ALA B 91 -6.099 19.019 41.724 1.00 54.18 N +ATOM 715 CA ALA B 91 -5.235 19.393 40.630 1.00 53.87 C +ATOM 716 C ALA B 91 -5.990 19.262 39.303 1.00 55.13 C +ATOM 717 O ALA B 91 -5.735 20.021 38.369 1.00 55.52 O +ATOM 718 CB ALA B 91 -4.003 18.508 40.622 1.00 54.92 C +ATOM 719 N GLN B 92 -6.910 18.297 39.220 1.00 54.56 N +ATOM 720 CA GLN B 92 -7.697 18.083 38.004 1.00 54.17 C +ATOM 721 C GLN B 92 -8.536 19.310 37.666 1.00 56.08 C +ATOM 722 O GLN B 92 -8.754 19.622 36.502 1.00 56.14 O +ATOM 723 CB GLN B 92 -8.660 16.910 38.169 1.00 52.40 C +ATOM 724 CG GLN B 92 -8.029 15.563 38.327 1.00 51.13 C +ATOM 725 CD GLN B 92 -9.066 14.463 38.438 1.00 49.89 C +ATOM 726 OE1 GLN B 92 -10.057 14.590 39.166 1.00 51.83 O +ATOM 727 NE2 GLN B 92 -8.840 13.373 37.726 1.00 45.77 N +ATOM 728 N TYR B 93 -9.012 19.987 38.700 1.00 58.53 N +ATOM 729 CA TYR B 93 -9.854 21.162 38.542 1.00 63.34 C +ATOM 730 C TYR B 93 -9.113 22.451 38.851 1.00 67.04 C +ATOM 731 O TYR B 93 -7.888 22.460 38.978 1.00 68.10 O +ATOM 732 CB TYR B 93 -11.069 21.028 39.453 1.00 60.61 C +ATOM 733 CG TYR B 93 -11.700 19.664 39.364 1.00 60.53 C +ATOM 734 CD1 TYR B 93 -11.796 18.844 40.488 1.00 60.69 C +ATOM 735 CD2 TYR B 93 -12.195 19.183 38.149 1.00 59.03 C +ATOM 736 CE1 TYR B 93 -12.372 17.583 40.403 1.00 59.76 C +ATOM 737 CE2 TYR B 93 -12.769 17.930 38.053 1.00 57.70 C +ATOM 738 CZ TYR B 93 -12.858 17.132 39.179 1.00 60.41 C +ATOM 739 OH TYR B 93 -13.436 15.884 39.090 1.00 60.04 O +ATOM 740 N GLU B 94 -9.861 23.540 38.984 1.00 71.30 N +ATOM 741 CA GLU B 94 -9.252 24.834 39.260 1.00 75.88 C +ATOM 742 C GLU B 94 -8.303 25.211 38.122 1.00 77.66 C +ATOM 743 O GLU B 94 -7.079 25.257 38.383 1.00 77.70 O +ATOM 744 CB GLU B 94 -8.473 24.795 40.579 1.00 77.62 C +ATOM 745 CG GLU B 94 -9.336 24.629 41.809 1.00 80.85 C +ATOM 746 CD GLU B 94 -8.591 24.965 43.082 1.00 83.60 C +ATOM 747 OE1 GLU B 94 -9.212 24.928 44.167 1.00 85.46 O +ATOM 748 OE2 GLU B 94 -7.382 25.269 42.996 1.00 84.97 O +ATOM 749 OXT GLU B 94 -8.788 25.443 36.986 1.00 79.05 O Added: SwiftApps/modFTdock/input/indata/2yy0-2.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2yy0-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2yy0-2.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,741 @@ +ATOM 1 N GLU C 58 -4.091 16.502 73.278 1.00 64.68 N +ATOM 2 CA GLU C 58 -3.212 17.158 74.276 1.00 64.98 C +ATOM 3 C GLU C 58 -2.783 18.543 73.784 1.00 62.90 C +ATOM 4 O GLU C 58 -2.696 18.783 72.578 1.00 65.19 O +ATOM 5 CB GLU C 58 -1.976 16.289 74.552 1.00 68.16 C +ATOM 6 CG GLU C 58 -2.267 14.898 75.121 1.00 70.47 C +ATOM 7 CD GLU C 58 -1.154 14.394 76.041 1.00 74.69 C +ATOM 8 OE1 GLU C 58 0.033 14.512 75.663 1.00 74.58 O +ATOM 9 OE2 GLU C 58 -1.462 13.874 77.142 1.00 76.21 O +ATOM 10 N ASN C 59 -2.517 19.443 74.728 1.00 59.08 N +ATOM 11 CA ASN C 59 -2.117 20.815 74.433 1.00 54.94 C +ATOM 12 C ASN C 59 -0.608 20.960 74.628 1.00 51.16 C +ATOM 13 O ASN C 59 -0.100 20.864 75.748 1.00 47.47 O +ATOM 14 CB ASN C 59 -2.869 21.764 75.374 1.00 59.07 C +ATOM 15 CG ASN C 59 -2.697 23.222 75.008 1.00 61.60 C +ATOM 16 OD1 ASN C 59 -1.576 23.716 74.897 1.00 65.27 O +ATOM 17 ND2 ASN C 59 -3.815 23.926 74.826 1.00 63.76 N +ATOM 18 N PRO C 60 0.131 21.198 73.536 1.00 48.50 N +ATOM 19 CA PRO C 60 1.585 21.343 73.644 1.00 48.12 C +ATOM 20 C PRO C 60 2.003 22.441 74.635 1.00 47.50 C +ATOM 21 O PRO C 60 3.071 22.369 75.249 1.00 45.04 O +ATOM 22 CB PRO C 60 2.008 21.668 72.203 1.00 46.85 C +ATOM 23 CG PRO C 60 0.944 21.021 71.388 1.00 47.26 C +ATOM 24 CD PRO C 60 -0.305 21.387 72.144 1.00 45.36 C +ATOM 25 N GLU C 61 1.151 23.450 74.783 1.00 45.79 N +ATOM 26 CA GLU C 61 1.437 24.560 75.675 1.00 45.86 C +ATOM 27 C GLU C 61 1.358 24.110 77.133 1.00 43.56 C +ATOM 28 O GLU C 61 2.159 24.546 77.963 1.00 42.47 O +ATOM 29 CB GLU C 61 0.461 25.713 75.404 1.00 49.76 C +ATOM 30 CG GLU C 61 0.705 26.936 76.254 1.00 55.13 C +ATOM 31 CD GLU C 61 1.826 27.804 75.725 1.00 59.68 C +ATOM 32 OE1 GLU C 61 1.591 28.552 74.748 1.00 63.03 O +ATOM 33 OE2 GLU C 61 2.941 27.738 76.284 1.00 62.46 O +ATOM 34 N ILE C 62 0.389 23.247 77.438 1.00 41.61 N +ATOM 35 CA ILE C 62 0.211 22.703 78.786 1.00 40.74 C +ATOM 36 C ILE C 62 1.424 21.844 79.105 1.00 40.42 C +ATOM 37 O ILE C 62 2.104 22.048 80.109 1.00 40.37 O +ATOM 38 CB ILE C 62 -1.030 21.769 78.869 1.00 42.59 C +ATOM 39 CG1 ILE C 62 -2.313 22.594 78.903 1.00 41.70 C +ATOM 40 CG2 ILE C 62 -0.931 20.856 80.115 1.00 38.31 C +ATOM 41 CD1 ILE C 62 -2.551 23.236 80.224 1.00 44.57 C +ATOM 42 N GLU C 63 1.673 20.875 78.229 1.00 39.14 N +ATOM 43 CA GLU C 63 2.792 19.947 78.375 1.00 39.44 C +ATOM 44 C GLU C 63 4.143 20.631 78.455 1.00 37.01 C +ATOM 45 O GLU C 63 5.061 20.095 79.062 1.00 36.72 O +ATOM 46 CB GLU C 63 2.810 18.926 77.231 1.00 36.93 C +ATOM 47 CG GLU C 63 1.514 18.155 77.100 1.00 40.28 C +ATOM 48 CD GLU C 63 1.046 17.543 78.422 1.00 44.95 C +ATOM 49 OE1 GLU C 63 1.836 17.505 79.398 1.00 48.34 O +ATOM 50 OE2 GLU C 63 -0.117 17.089 78.480 1.00 45.70 O +ATOM 51 N LEU C 64 4.267 21.807 77.847 1.00 35.58 N +ATOM 52 CA LEU C 64 5.531 22.534 77.891 1.00 34.35 C +ATOM 53 C LEU C 64 5.717 23.192 79.256 1.00 33.83 C +ATOM 54 O LEU C 64 6.847 23.314 79.738 1.00 32.45 O +ATOM 55 CB LEU C 64 5.581 23.608 76.812 1.00 34.11 C +ATOM 56 CG LEU C 64 6.836 24.496 76.850 1.00 35.06 C +ATOM 57 CD1 LEU C 64 8.099 23.694 76.597 1.00 31.14 C +ATOM 58 CD2 LEU C 64 6.694 25.551 75.802 1.00 30.80 C +ATOM 59 N LEU C 65 4.611 23.608 79.874 1.00 31.30 N +ATOM 60 CA LEU C 65 4.684 24.240 81.181 1.00 30.38 C +ATOM 61 C LEU C 65 5.051 23.197 82.218 1.00 30.81 C +ATOM 62 O LEU C 65 5.783 23.500 83.159 1.00 30.80 O +ATOM 63 CB LEU C 65 3.364 24.884 81.566 1.00 31.36 C +ATOM 64 CG LEU C 65 3.002 26.167 80.838 1.00 33.19 C +ATOM 65 CD1 LEU C 65 1.553 26.454 81.160 1.00 29.57 C +ATOM 66 CD2 LEU C 65 3.920 27.322 81.259 1.00 31.11 C +ATOM 67 N ARG C 66 4.548 21.975 82.039 1.00 32.20 N +ATOM 68 CA ARG C 66 4.838 20.871 82.958 1.00 34.20 C +ATOM 69 C ARG C 66 6.287 20.427 82.786 1.00 34.09 C +ATOM 70 O ARG C 66 6.938 20.062 83.759 1.00 38.16 O +ATOM 71 CB ARG C 66 3.897 19.689 82.705 1.00 37.85 C +ATOM 72 CG ARG C 66 2.449 19.904 83.129 1.00 40.53 C +ATOM 73 CD ARG C 66 1.566 18.825 82.501 1.00 48.00 C +ATOM 74 NE ARG C 66 1.922 17.485 82.974 1.00 54.25 N +ATOM 75 CZ ARG C 66 1.458 16.947 84.101 1.00 55.17 C +ATOM 76 NH1 ARG C 66 0.610 17.632 84.858 1.00 56.68 N +ATOM 77 NH2 ARG C 66 1.861 15.742 84.490 1.00 53.85 N +ATOM 78 N LEU C 67 6.793 20.469 81.555 1.00 33.33 N +ATOM 79 CA LEU C 67 8.178 20.104 81.292 1.00 34.84 C +ATOM 80 C LEU C 67 9.022 21.121 82.045 1.00 37.38 C +ATOM 81 O LEU C 67 9.904 20.760 82.828 1.00 37.85 O +ATOM 82 CB LEU C 67 8.514 20.220 79.807 1.00 35.61 C +ATOM 83 CG LEU C 67 9.403 19.165 79.134 1.00 38.99 C +ATOM 84 CD1 LEU C 67 9.989 19.799 77.914 1.00 37.28 C +ATOM 85 CD2 LEU C 67 10.530 18.641 80.034 1.00 37.34 C +ATOM 86 N GLU C 68 8.741 22.399 81.806 1.00 37.09 N +ATOM 87 CA GLU C 68 9.478 23.471 82.470 1.00 38.48 C +ATOM 88 C GLU C 68 9.323 23.343 83.968 1.00 38.34 C +ATOM 89 O GLU C 68 10.240 23.640 84.719 1.00 36.56 O +ATOM 90 CB GLU C 68 8.966 24.843 82.013 1.00 38.94 C +ATOM 91 CG GLU C 68 9.278 25.127 80.561 1.00 41.23 C +ATOM 92 CD GLU C 68 8.867 26.506 80.106 1.00 41.98 C +ATOM 93 OE1 GLU C 68 9.172 27.504 80.802 1.00 42.02 O +ATOM 94 OE2 GLU C 68 8.256 26.591 79.023 1.00 46.26 O +ATOM 95 N LEU C 69 8.158 22.889 84.412 1.00 39.59 N +ATOM 96 CA LEU C 69 7.947 22.737 85.840 1.00 39.25 C +ATOM 97 C LEU C 69 8.820 21.632 86.424 1.00 39.97 C +ATOM 98 O LEU C 69 9.494 21.838 87.437 1.00 38.08 O +ATOM 99 CB LEU C 69 6.479 22.442 86.124 1.00 41.31 C +ATOM 100 CG LEU C 69 5.665 23.684 86.451 1.00 41.74 C +ATOM 101 CD1 LEU C 69 4.235 23.285 86.762 1.00 45.00 C +ATOM 102 CD2 LEU C 69 6.297 24.390 87.647 1.00 43.85 C +ATOM 103 N ALA C 70 8.804 20.460 85.791 1.00 39.52 N +ATOM 104 CA ALA C 70 9.607 19.332 86.263 1.00 43.33 C +ATOM 105 C ALA C 70 11.100 19.682 86.289 1.00 46.06 C +ATOM 106 O ALA C 70 11.803 19.309 87.222 1.00 46.26 O +ATOM 107 CB ALA C 70 9.362 18.086 85.371 1.00 41.20 C +ATOM 108 N GLU C 71 11.582 20.404 85.274 1.00 48.69 N +ATOM 109 CA GLU C 71 12.994 20.784 85.219 1.00 52.20 C +ATOM 110 C GLU C 71 13.359 21.873 86.224 1.00 52.85 C +ATOM 111 O GLU C 71 14.373 21.784 86.918 1.00 53.77 O +ATOM 112 CB GLU C 71 13.375 21.273 83.820 1.00 53.65 C +ATOM 113 CG GLU C 71 13.831 20.185 82.866 1.00 60.24 C +ATOM 114 CD GLU C 71 15.163 19.568 83.269 1.00 63.25 C +ATOM 115 OE1 GLU C 71 16.154 20.322 83.415 1.00 66.03 O +ATOM 116 OE2 GLU C 71 15.221 18.329 83.435 1.00 64.24 O +ATOM 117 N MET C 72 12.536 22.907 86.290 1.00 52.04 N +ATOM 118 CA MET C 72 12.803 24.006 87.197 1.00 53.04 C +ATOM 119 C MET C 72 12.877 23.451 88.612 1.00 53.27 C +ATOM 120 O MET C 72 13.546 24.024 89.472 1.00 51.56 O +ATOM 121 CB MET C 72 11.693 25.059 87.101 1.00 51.93 C +ATOM 122 CG MET C 72 12.037 26.409 87.715 1.00 55.14 C +ATOM 123 SD MET C 72 13.248 27.332 86.739 1.00 57.45 S +ATOM 124 CE MET C 72 14.571 27.457 87.896 1.00 59.33 C +ATOM 125 N LYS C 73 12.192 22.328 88.836 1.00 53.56 N +ATOM 126 CA LYS C 73 12.154 21.683 90.144 1.00 54.93 C +ATOM 127 C LYS C 73 13.469 20.970 90.482 1.00 55.02 C +ATOM 128 O LYS C 73 13.987 21.112 91.587 1.00 55.49 O +ATOM 129 CB LYS C 73 10.982 20.704 90.195 1.00 57.48 C +ATOM 130 CG LYS C 73 10.852 19.955 91.499 1.00 61.08 C +ATOM 131 CD LYS C 73 9.498 19.263 91.599 1.00 64.78 C +ATOM 132 CE LYS C 73 9.400 18.408 92.863 1.00 67.83 C +ATOM 133 NZ LYS C 73 10.448 17.331 92.903 1.00 67.85 N +ATOM 134 N GLU C 74 14.011 20.202 89.542 1.00 55.10 N +ATOM 135 CA GLU C 74 15.284 19.531 89.784 1.00 55.79 C +ATOM 136 C GLU C 74 16.378 20.575 90.005 1.00 55.55 C +ATOM 137 O GLU C 74 17.351 20.320 90.708 1.00 57.34 O +ATOM 138 CB GLU C 74 15.677 18.643 88.603 1.00 55.60 C +ATOM 139 CG GLU C 74 14.675 17.545 88.280 1.00 59.29 C +ATOM 140 CD GLU C 74 15.275 16.445 87.411 1.00 61.26 C +ATOM 141 OE1 GLU C 74 16.130 16.771 86.557 1.00 63.30 O +ATOM 142 OE2 GLU C 74 14.887 15.260 87.575 1.00 60.02 O +ATOM 143 N LYS C 75 16.226 21.748 89.401 1.00 54.35 N +ATOM 144 CA LYS C 75 17.221 22.808 89.561 1.00 54.32 C +ATOM 145 C LYS C 75 17.111 23.489 90.916 1.00 53.30 C +ATOM 146 O LYS C 75 18.109 23.892 91.507 1.00 52.45 O +ATOM 147 CB LYS C 75 17.071 23.854 88.461 1.00 54.23 C +ATOM 148 CG LYS C 75 17.728 23.446 87.171 1.00 55.04 C +ATOM 149 CD LYS C 75 17.372 24.399 86.053 1.00 54.73 C +ATOM 150 CE LYS C 75 18.317 24.203 84.883 1.00 56.72 C +ATOM 151 NZ LYS C 75 19.702 24.597 85.247 1.00 56.19 N +ATOM 152 N TYR C 76 15.883 23.618 91.397 1.00 52.13 N +ATOM 153 CA TYR C 76 15.636 24.239 92.678 1.00 51.80 C +ATOM 154 C TYR C 76 16.287 23.385 93.757 1.00 53.29 C +ATOM 155 O TYR C 76 16.976 23.896 94.641 1.00 52.42 O +ATOM 156 CB TYR C 76 14.135 24.331 92.920 1.00 49.70 C +ATOM 157 CG TYR C 76 13.787 25.020 94.206 1.00 47.91 C +ATOM 158 CD1 TYR C 76 13.015 24.380 95.174 1.00 47.51 C +ATOM 159 CD2 TYR C 76 14.213 26.322 94.452 1.00 46.91 C +ATOM 160 CE1 TYR C 76 12.673 25.024 96.358 1.00 47.73 C +ATOM 161 CE2 TYR C 76 13.876 26.977 95.628 1.00 46.15 C +ATOM 162 CZ TYR C 76 13.104 26.326 96.576 1.00 47.90 C +ATOM 163 OH TYR C 76 12.733 26.988 97.726 1.00 49.85 O +ATOM 164 N GLU C 77 16.064 22.079 93.686 1.00 54.93 N +ATOM 165 CA GLU C 77 16.650 21.174 94.665 1.00 57.68 C +ATOM 166 C GLU C 77 18.156 21.369 94.697 1.00 57.07 C +ATOM 167 O GLU C 77 18.756 21.479 95.762 1.00 57.05 O +ATOM 168 CB GLU C 77 16.338 19.715 94.314 1.00 61.45 C +ATOM 169 CG GLU C 77 15.072 19.165 94.950 1.00 66.87 C +ATOM 170 CD GLU C 77 13.810 19.789 94.395 1.00 70.40 C +ATOM 171 OE1 GLU C 77 13.667 21.030 94.475 1.00 73.86 O +ATOM 172 OE2 GLU C 77 12.957 19.035 93.880 1.00 73.64 O +ATOM 173 N ALA C 78 18.755 21.428 93.515 1.00 56.45 N +ATOM 174 CA ALA C 78 20.191 21.590 93.381 1.00 55.74 C +ATOM 175 C ALA C 78 20.728 22.854 94.047 1.00 56.50 C +ATOM 176 O ALA C 78 21.728 22.808 94.759 1.00 57.38 O +ATOM 177 CB ALA C 78 20.566 21.564 91.912 1.00 54.74 C +ATOM 178 N ILE C 79 20.073 23.983 93.820 1.00 56.69 N +ATOM 179 CA ILE C 79 20.518 25.229 94.424 1.00 57.01 C +ATOM 180 C ILE C 79 20.264 25.228 95.929 1.00 56.45 C +ATOM 181 O ILE C 79 20.994 25.864 96.682 1.00 57.05 O +ATOM 182 CB ILE C 79 19.793 26.446 93.814 1.00 58.19 C +ATOM 183 CG1 ILE C 79 18.299 26.375 94.129 1.00 58.27 C +ATOM 184 CG2 ILE C 79 20.007 26.471 92.322 1.00 60.80 C +ATOM 185 CD1 ILE C 79 17.552 27.648 93.858 1.00 59.67 C +ATOM 186 N VAL C 80 19.215 24.540 96.366 1.00 55.45 N +ATOM 187 CA VAL C 80 18.908 24.481 97.791 1.00 56.66 C +ATOM 188 C VAL C 80 20.037 23.742 98.504 1.00 57.78 C +ATOM 189 O VAL C 80 20.533 24.195 99.535 1.00 57.03 O +ATOM 190 CB VAL C 80 17.561 23.749 98.064 1.00 55.84 C +ATOM 191 CG1 VAL C 80 17.438 23.404 99.538 1.00 52.36 C +ATOM 192 CG2 VAL C 80 16.388 24.632 97.631 1.00 55.90 C +ATOM 193 N GLU C 81 20.437 22.609 97.936 1.00 59.36 N +ATOM 194 CA GLU C 81 21.512 21.796 98.487 1.00 61.82 C +ATOM 195 C GLU C 81 22.818 22.573 98.427 1.00 61.91 C +ATOM 196 O GLU C 81 23.720 22.335 99.223 1.00 63.29 O +ATOM 197 CB GLU C 81 21.638 20.484 97.699 1.00 64.46 C +ATOM 198 CG GLU C 81 22.851 19.627 98.056 1.00 69.64 C +ATOM 199 CD GLU C 81 22.782 18.211 97.469 1.00 73.53 C +ATOM 200 OE1 GLU C 81 23.803 17.484 97.535 1.00 74.24 O +ATOM 201 OE2 GLU C 81 21.706 17.821 96.953 1.00 73.36 O +ATOM 202 N GLU C 82 22.912 23.503 97.482 1.00 61.74 N +ATOM 203 CA GLU C 82 24.107 24.330 97.325 1.00 62.58 C +ATOM 204 C GLU C 82 24.048 25.498 98.312 1.00 60.97 C +ATOM 205 O GLU C 82 25.064 26.100 98.653 1.00 61.69 O +ATOM 206 CB GLU C 82 24.191 24.868 95.891 1.00 64.52 C +ATOM 207 CG GLU C 82 25.407 25.743 95.585 1.00 67.58 C +ATOM 208 CD GLU C 82 26.733 24.997 95.712 1.00 71.22 C +ATOM 209 OE1 GLU C 82 26.786 23.784 95.405 1.00 73.57 O +ATOM 210 OE2 GLU C 82 27.734 25.628 96.105 1.00 71.94 O +ATOM 211 N ASN C 83 22.844 25.809 98.767 1.00 58.70 N +ATOM 212 CA ASN C 83 22.645 26.898 99.709 1.00 56.62 C +ATOM 213 C ASN C 83 23.025 26.453 101.120 1.00 56.26 C +ATOM 214 O ASN C 83 23.609 27.214 101.886 1.00 55.31 O +ATOM 215 CB ASN C 83 21.186 27.337 99.690 1.00 53.14 C +ATOM 216 CG ASN C 83 20.917 28.482 100.634 1.00 50.77 C +ATOM 217 OD1 ASN C 83 21.406 29.591 100.425 1.00 49.63 O +ATOM 218 ND2 ASN C 83 20.140 28.223 101.684 1.00 47.44 N +ATOM 219 N LYS C 84 22.678 25.219 101.464 1.00 56.76 N +ATOM 220 CA LYS C 84 23.002 24.686 102.779 1.00 58.16 C +ATOM 221 C LYS C 84 24.508 24.493 102.832 1.00 58.04 C +ATOM 222 O LYS C 84 25.149 24.755 103.846 1.00 57.96 O +ATOM 223 CB LYS C 84 22.287 23.352 103.004 1.00 59.47 C +ATOM 224 CG LYS C 84 20.814 23.376 102.624 1.00 61.74 C +ATOM 225 CD LYS C 84 20.108 24.604 103.209 1.00 65.02 C +ATOM 226 CE LYS C 84 18.766 24.868 102.530 1.00 65.69 C +ATOM 227 NZ LYS C 84 18.183 26.172 102.941 1.00 64.70 N +ATOM 228 N LYS C 85 25.066 24.043 101.716 1.00 58.84 N +ATOM 229 CA LYS C 85 26.499 23.819 101.614 1.00 59.88 C +ATOM 230 C LYS C 85 27.238 25.126 101.910 1.00 58.95 C +ATOM 231 O LYS C 85 28.210 25.141 102.667 1.00 59.16 O +ATOM 232 CB LYS C 85 26.846 23.314 100.210 1.00 61.87 C +ATOM 233 CG LYS C 85 28.131 22.508 100.130 1.00 64.01 C +ATOM 234 CD LYS C 85 28.338 21.932 98.737 1.00 65.86 C +ATOM 235 CE LYS C 85 29.529 20.982 98.705 1.00 68.02 C +ATOM 236 NZ LYS C 85 29.354 19.826 99.644 1.00 68.84 N +ATOM 237 N LEU C 86 26.761 26.220 101.324 1.00 57.42 N +ATOM 238 CA LEU C 86 27.373 27.527 101.527 1.00 56.29 C +ATOM 239 C LEU C 86 27.280 28.021 102.968 1.00 56.22 C +ATOM 240 O LEU C 86 28.290 28.380 103.568 1.00 57.14 O +ATOM 241 CB LEU C 86 26.736 28.556 100.584 1.00 56.91 C +ATOM 242 CG LEU C 86 27.316 28.702 99.166 1.00 57.59 C +ATOM 243 CD1 LEU C 86 27.652 27.345 98.583 1.00 55.17 C +ATOM 244 CD2 LEU C 86 26.320 29.435 98.278 1.00 54.66 C +ATOM 245 N LYS C 87 26.067 28.051 103.519 1.00 56.25 N +ATOM 246 CA LYS C 87 25.859 28.513 104.883 1.00 55.07 C +ATOM 247 C LYS C 87 26.785 27.781 105.841 1.00 56.88 C +ATOM 248 O LYS C 87 27.367 28.391 106.734 1.00 57.33 O +ATOM 249 CB LYS C 87 24.411 28.287 105.316 1.00 54.00 C +ATOM 250 CG LYS C 87 23.409 29.303 104.772 1.00 51.19 C +ATOM 251 CD LYS C 87 21.986 28.986 105.238 1.00 45.10 C +ATOM 252 CE LYS C 87 21.482 27.682 104.603 1.00 43.73 C +ATOM 253 NZ LYS C 87 20.100 27.321 105.037 1.00 41.86 N +ATOM 254 N ALA C 88 26.915 26.472 105.650 1.00 57.18 N +ATOM 255 CA ALA C 88 27.773 25.656 106.503 1.00 58.95 C +ATOM 256 C ALA C 88 29.215 26.131 106.414 1.00 60.14 C +ATOM 257 O ALA C 88 29.839 26.457 107.424 1.00 60.62 O +ATOM 258 CB ALA C 88 27.686 24.196 106.091 1.00 57.05 C +ATOM 259 N LYS C 89 29.745 26.165 105.198 1.00 61.61 N +ATOM 260 CA LYS C 89 31.114 26.605 105.006 1.00 62.80 C +ATOM 261 C LYS C 89 31.325 27.971 105.665 1.00 63.24 C +ATOM 262 O LYS C 89 32.324 28.193 106.347 1.00 65.01 O +ATOM 263 CB LYS C 89 31.439 26.681 103.513 1.00 63.06 C +ATOM 264 CG LYS C 89 32.891 27.034 103.217 1.00 66.73 C +ATOM 265 CD LYS C 89 33.145 27.236 101.718 1.00 68.86 C +ATOM 266 CE LYS C 89 34.616 27.540 101.432 1.00 68.84 C +ATOM 267 NZ LYS C 89 34.832 27.999 100.027 1.00 68.73 N +ATOM 268 N LEU C 90 30.368 28.875 105.488 1.00 62.06 N +ATOM 269 CA LEU C 90 30.486 30.212 106.054 1.00 62.07 C +ATOM 270 C LEU C 90 30.386 30.273 107.576 1.00 62.65 C +ATOM 271 O LEU C 90 30.907 31.198 108.196 1.00 61.16 O +ATOM 272 CB LEU C 90 29.422 31.135 105.458 1.00 60.32 C +ATOM 273 CG LEU C 90 29.520 32.572 105.965 1.00 58.46 C +ATOM 274 CD1 LEU C 90 30.863 33.136 105.548 1.00 60.95 C +ATOM 275 CD2 LEU C 90 28.400 33.420 105.404 1.00 58.76 C +ATOM 276 N ALA C 91 29.709 29.295 108.168 1.00 64.10 N +ATOM 277 CA ALA C 91 29.510 29.249 109.616 1.00 65.59 C +ATOM 278 C ALA C 91 30.810 29.038 110.386 1.00 67.70 C +ATOM 279 O ALA C 91 30.961 29.511 111.518 1.00 67.08 O +ATOM 280 CB ALA C 91 28.512 28.144 109.968 1.00 64.10 C +ATOM 281 N GLN C 92 31.745 28.320 109.775 1.00 69.57 N +ATOM 282 CA GLN C 92 33.020 28.058 110.418 1.00 71.56 C +ATOM 283 C GLN C 92 33.881 29.317 110.455 1.00 71.91 C +ATOM 284 O GLN C 92 34.720 29.472 111.343 1.00 72.71 O +ATOM 285 CB GLN C 92 33.730 26.913 109.696 1.00 72.47 C +ATOM 286 CG GLN C 92 32.877 25.648 109.673 1.00 76.30 C +ATOM 287 CD GLN C 92 33.593 24.439 109.101 1.00 78.21 C +ATOM 288 OE1 GLN C 92 34.559 23.935 109.682 1.00 79.03 O +ATOM 289 NE2 GLN C 92 33.118 23.962 107.953 1.00 79.23 N +ATOM 290 N TYR C 93 33.652 30.228 109.511 1.00 72.13 N +ATOM 291 CA TYR C 93 34.408 31.484 109.444 1.00 72.55 C +ATOM 292 C TYR C 93 33.711 32.601 110.209 1.00 70.90 C +ATOM 293 O TYR C 93 34.169 33.742 110.202 1.00 71.00 O +ATOM 294 CB TYR C 93 34.590 31.954 107.991 1.00 74.76 C +ATOM 295 CG TYR C 93 35.257 30.966 107.065 1.00 76.84 C +ATOM 296 CD1 TYR C 93 34.552 29.879 106.549 1.00 78.11 C +ATOM 297 CD2 TYR C 93 36.586 31.133 106.679 1.00 78.19 C +ATOM 298 CE1 TYR C 93 35.152 28.986 105.666 1.00 78.24 C +ATOM 299 CE2 TYR C 93 37.194 30.245 105.799 1.00 78.20 C +ATOM 300 CZ TYR C 93 36.470 29.177 105.296 1.00 78.82 C +ATOM 301 OH TYR C 93 37.057 28.313 104.404 1.00 80.62 O +ATOM 302 N GLU C 94 32.597 32.273 110.855 1.00 70.80 N +ATOM 303 CA GLU C 94 31.831 33.256 111.613 1.00 69.83 C +ATOM 304 C GLU C 94 32.333 33.376 113.049 1.00 69.80 C +ATOM 305 O GLU C 94 33.171 32.538 113.452 1.00 69.90 O +ATOM 306 CB GLU C 94 30.348 32.870 111.616 1.00 70.65 C +ATOM 307 CG GLU C 94 29.617 33.109 110.302 1.00 71.55 C +ATOM 308 CD GLU C 94 29.480 34.587 109.968 1.00 73.79 C +ATOM 309 OE1 GLU C 94 29.022 35.361 110.838 1.00 72.82 O +ATOM 310 OE2 GLU C 94 29.822 34.977 108.830 1.00 75.88 O +ATOM 311 OXT GLU C 94 31.876 34.303 113.753 1.00 67.81 O +ATOM 313 N ASN D 42 -25.983 33.915 64.884 1.00 85.05 N +ATOM 314 CA ASN D 42 -24.857 34.560 64.148 1.00 84.73 C +ATOM 315 C ASN D 42 -23.754 34.991 65.105 1.00 84.57 C +ATOM 316 O ASN D 42 -22.633 34.488 65.045 1.00 84.64 O +ATOM 317 CB ASN D 42 -25.362 35.778 63.362 1.00 84.53 C +ATOM 318 CG ASN D 42 -26.190 36.731 64.217 1.00 85.23 C +ATOM 319 OD1 ASN D 42 -27.292 36.391 64.660 1.00 84.96 O +ATOM 320 ND2 ASN D 42 -25.659 37.931 64.454 1.00 83.75 N +ATOM 321 N SER D 43 -24.081 35.929 65.987 1.00 84.81 N +ATOM 322 CA SER D 43 -23.129 36.444 66.968 1.00 84.69 C +ATOM 323 C SER D 43 -22.835 35.362 68.005 1.00 84.48 C +ATOM 324 O SER D 43 -21.674 35.065 68.301 1.00 83.29 O +ATOM 325 CB SER D 43 -23.713 37.690 67.653 1.00 84.46 C +ATOM 326 OG SER D 43 -22.796 38.266 68.561 1.00 84.01 O +ATOM 327 N ALA D 44 -23.907 34.780 68.543 1.00 84.04 N +ATOM 328 CA ALA D 44 -23.813 33.724 69.543 1.00 83.49 C +ATOM 329 C ALA D 44 -23.186 32.476 68.934 1.00 83.09 C +ATOM 330 O ALA D 44 -22.632 31.637 69.644 1.00 82.66 O +ATOM 331 CB ALA D 44 -25.201 33.398 70.086 1.00 84.64 C +ATOM 332 N LEU D 45 -23.287 32.358 67.614 1.00 82.25 N +ATOM 333 CA LEU D 45 -22.725 31.223 66.901 1.00 81.97 C +ATOM 334 C LEU D 45 -21.230 31.484 66.754 1.00 81.37 C +ATOM 335 O LEU D 45 -20.409 30.570 66.862 1.00 80.87 O +ATOM 336 CB LEU D 45 -23.387 31.094 65.524 1.00 82.82 C +ATOM 337 CG LEU D 45 -23.144 29.843 64.675 1.00 83.87 C +ATOM 338 CD1 LEU D 45 -24.009 29.931 63.429 1.00 85.26 C +ATOM 339 CD2 LEU D 45 -21.677 29.718 64.286 1.00 84.80 C +ATOM 340 N ASP D 46 -20.885 32.744 66.512 1.00 80.93 N +ATOM 341 CA ASP D 46 -19.492 33.138 66.360 1.00 80.85 C +ATOM 342 C ASP D 46 -18.835 33.054 67.730 1.00 79.60 C +ATOM 343 O ASP D 46 -17.641 32.787 67.853 1.00 78.62 O +ATOM 344 CB ASP D 46 -19.402 34.571 65.829 1.00 82.02 C +ATOM 345 CG ASP D 46 -17.970 35.020 65.607 1.00 83.76 C +ATOM 346 OD1 ASP D 46 -17.768 36.208 65.273 1.00 85.07 O +ATOM 347 OD2 ASP D 46 -17.047 34.187 65.762 1.00 84.20 O +ATOM 348 N PHE D 47 -19.641 33.290 68.757 1.00 78.59 N +ATOM 349 CA PHE D 47 -19.188 33.241 70.136 1.00 78.19 C +ATOM 350 C PHE D 47 -18.808 31.808 70.518 1.00 74.96 C +ATOM 351 O PHE D 47 -17.814 31.585 71.212 1.00 73.74 O +ATOM 352 CB PHE D 47 -20.302 33.769 71.035 1.00 83.39 C +ATOM 353 CG PHE D 47 -19.972 33.757 72.496 1.00 89.56 C +ATOM 354 CD1 PHE D 47 -19.989 32.569 73.220 1.00 92.23 C +ATOM 355 CD2 PHE D 47 -19.670 34.940 73.163 1.00 92.28 C +ATOM 356 CE1 PHE D 47 -19.716 32.557 74.588 1.00 93.55 C +ATOM 357 CE2 PHE D 47 -19.396 34.938 74.531 1.00 93.98 C +ATOM 358 CZ PHE D 47 -19.418 33.743 75.244 1.00 94.24 C +ATOM 359 N LEU D 48 -19.609 30.847 70.060 1.00 71.45 N +ATOM 360 CA LEU D 48 -19.370 29.432 70.322 1.00 68.12 C +ATOM 361 C LEU D 48 -18.141 28.992 69.539 1.00 66.74 C +ATOM 362 O LEU D 48 -17.345 28.180 70.006 1.00 65.86 O +ATOM 363 CB LEU D 48 -20.572 28.602 69.885 1.00 66.78 C +ATOM 364 CG LEU D 48 -20.379 27.086 69.887 1.00 66.88 C +ATOM 365 CD1 LEU D 48 -20.218 26.590 71.318 1.00 65.91 C +ATOM 366 CD2 LEU D 48 -21.571 26.416 69.215 1.00 66.44 C +ATOM 367 N LYS D 49 -17.994 29.523 68.335 1.00 65.81 N +ATOM 368 CA LYS D 49 -16.834 29.190 67.526 1.00 65.55 C +ATOM 369 C LYS D 49 -15.613 29.808 68.186 1.00 64.06 C +ATOM 370 O LYS D 49 -14.544 29.208 68.207 1.00 63.98 O +ATOM 371 CB LYS D 49 -16.994 29.725 66.101 1.00 67.21 C +ATOM 372 CG LYS D 49 -18.003 28.958 65.241 1.00 70.56 C +ATOM 373 CD LYS D 49 -17.401 27.696 64.609 1.00 72.65 C +ATOM 374 CE LYS D 49 -17.095 26.608 65.628 1.00 73.10 C +ATOM 375 NZ LYS D 49 -16.459 25.421 64.983 1.00 74.64 N +ATOM 376 N HIS D 50 -15.779 31.006 68.740 1.00 62.60 N +ATOM 377 CA HIS D 50 -14.669 31.678 69.401 1.00 61.69 C +ATOM 378 C HIS D 50 -14.210 30.832 70.566 1.00 62.67 C +ATOM 379 O HIS D 50 -13.022 30.801 70.887 1.00 62.77 O +ATOM 380 CB HIS D 50 -15.078 33.069 69.892 1.00 58.54 C +ATOM 381 CG HIS D 50 -14.008 33.772 70.671 1.00 55.69 C +ATOM 382 ND1 HIS D 50 -13.845 33.604 72.030 1.00 54.70 N +ATOM 383 CD2 HIS D 50 -13.033 34.625 70.278 1.00 54.68 C +ATOM 384 CE1 HIS D 50 -12.817 34.327 72.442 1.00 53.46 C +ATOM 385 NE2 HIS D 50 -12.307 34.955 71.398 1.00 55.12 N +ATOM 386 N HIS D 51 -15.153 30.130 71.184 1.00 64.61 N +ATOM 387 CA HIS D 51 -14.837 29.265 72.313 1.00 68.76 C +ATOM 388 C HIS D 51 -13.970 28.066 71.973 1.00 71.08 C +ATOM 389 O HIS D 51 -13.841 27.132 72.766 1.00 71.69 O +ATOM 390 CB HIS D 51 -16.108 28.778 72.986 1.00 68.90 C +ATOM 391 CG HIS D 51 -16.581 29.690 74.061 1.00 68.57 C +ATOM 392 ND1 HIS D 51 -15.719 30.505 74.760 1.00 69.52 N +ATOM 393 CD2 HIS D 51 -17.809 29.899 74.583 1.00 69.58 C +ATOM 394 CE1 HIS D 51 -16.396 31.181 75.667 1.00 70.22 C +ATOM 395 NE2 HIS D 51 -17.667 30.831 75.582 1.00 71.62 N +ATOM 396 N LEU D 52 -13.391 28.094 70.783 1.00 74.22 N +ATOM 397 CA LEU D 52 -12.504 27.043 70.315 1.00 76.72 C +ATOM 398 C LEU D 52 -11.603 27.731 69.299 1.00 78.69 C +ATOM 399 O LEU D 52 -11.766 27.551 68.092 1.00 78.92 O +ATOM 400 CB LEU D 52 -13.303 25.914 69.655 1.00 77.43 C +ATOM 401 CG LEU D 52 -14.812 26.077 69.430 1.00 78.36 C +ATOM 402 CD1 LEU D 52 -15.297 25.017 68.461 1.00 79.14 C +ATOM 403 CD2 LEU D 52 -15.562 25.951 70.736 1.00 79.07 C +ATOM 404 N GLY D 53 -10.664 28.537 69.796 1.00 80.75 N +ATOM 405 CA GLY D 53 -9.771 29.270 68.913 1.00 83.08 C +ATOM 406 C GLY D 53 -8.305 28.872 68.925 1.00 84.90 C +ATOM 407 O GLY D 53 -7.875 28.065 69.750 1.00 84.97 O +ATOM 408 N ALA D 54 -7.538 29.453 68.002 1.00 86.28 N +ATOM 409 CA ALA D 54 -6.110 29.167 67.880 1.00 87.82 C +ATOM 410 C ALA D 54 -5.223 30.197 68.587 1.00 88.67 C +ATOM 411 O ALA D 54 -4.296 29.828 69.312 1.00 89.60 O +ATOM 412 CB ALA D 54 -5.724 29.075 66.403 1.00 87.05 C +ATOM 413 N ALA D 55 -5.506 31.482 68.372 1.00 88.81 N +ATOM 414 CA ALA D 55 -4.726 32.555 68.983 1.00 87.70 C +ATOM 415 C ALA D 55 -4.444 32.267 70.456 1.00 87.32 C +ATOM 416 O ALA D 55 -5.314 32.451 71.308 1.00 88.29 O +ATOM 417 CB ALA D 55 -5.459 33.885 68.836 1.00 87.13 C +ATOM 418 N THR D 56 -3.226 31.798 70.729 1.00 85.46 N +ATOM 419 CA THR D 56 -2.741 31.466 72.075 1.00 83.05 C +ATOM 420 C THR D 56 -3.734 30.809 73.055 1.00 79.90 C +ATOM 421 O THR D 56 -4.752 31.398 73.419 1.00 79.62 O +ATOM 422 CB THR D 56 -2.128 32.723 72.754 1.00 84.28 C +ATOM 423 OG1 THR D 56 -3.153 33.693 73.011 1.00 84.54 O +ATOM 424 CG2 THR D 56 -1.072 33.344 71.849 1.00 84.23 C +ATOM 425 N PRO D 57 -3.429 29.577 73.508 1.00 76.72 N +ATOM 426 CA PRO D 57 -4.275 28.825 74.445 1.00 73.34 C +ATOM 427 C PRO D 57 -4.461 29.548 75.778 1.00 69.22 C +ATOM 428 O PRO D 57 -3.495 29.992 76.396 1.00 67.92 O +ATOM 429 CB PRO D 57 -3.519 27.509 74.619 1.00 75.19 C +ATOM 430 CG PRO D 57 -2.767 27.370 73.341 1.00 76.86 C +ATOM 431 CD PRO D 57 -2.264 28.771 73.107 1.00 77.14 C +ATOM 432 N GLU D 58 -5.709 29.663 76.214 1.00 64.13 N +ATOM 433 CA GLU D 58 -6.012 30.333 77.466 1.00 60.13 C +ATOM 434 C GLU D 58 -7.119 29.616 78.209 1.00 56.28 C +ATOM 435 O GLU D 58 -8.306 29.909 78.016 1.00 57.87 O +ATOM 436 CB GLU D 58 -6.434 31.795 77.220 1.00 64.44 C +ATOM 437 CG GLU D 58 -5.279 32.792 77.006 1.00 67.54 C +ATOM 438 CD GLU D 58 -4.782 33.417 78.300 1.00 69.22 C +ATOM 439 OE1 GLU D 58 -5.524 34.225 78.882 1.00 70.37 O +ATOM 440 OE2 GLU D 58 -3.656 33.102 78.744 1.00 72.66 O +ATOM 441 N ASN D 59 -6.740 28.662 79.048 1.00 48.61 N +ATOM 442 CA ASN D 59 -7.726 27.947 79.838 1.00 43.07 C +ATOM 443 C ASN D 59 -7.255 27.935 81.294 1.00 39.96 C +ATOM 444 O ASN D 59 -6.073 28.120 81.574 1.00 38.20 O +ATOM 445 CB ASN D 59 -7.937 26.516 79.299 1.00 39.56 C +ATOM 446 CG ASN D 59 -6.727 25.625 79.485 1.00 37.25 C +ATOM 447 OD1 ASN D 59 -6.007 25.726 80.470 1.00 38.87 O +ATOM 448 ND2 ASN D 59 -6.516 24.730 78.548 1.00 37.29 N +ATOM 449 N PRO D 60 -8.180 27.727 82.239 1.00 37.46 N +ATOM 450 CA PRO D 60 -7.866 27.695 83.669 1.00 37.92 C +ATOM 451 C PRO D 60 -6.626 26.852 84.047 1.00 36.46 C +ATOM 452 O PRO D 60 -5.814 27.268 84.869 1.00 35.58 O +ATOM 453 CB PRO D 60 -9.144 27.124 84.285 1.00 36.69 C +ATOM 454 CG PRO D 60 -10.192 27.566 83.360 1.00 36.30 C +ATOM 455 CD PRO D 60 -9.584 27.341 82.007 1.00 34.63 C +ATOM 456 N GLU D 61 -6.493 25.673 83.457 1.00 35.50 N +ATOM 457 CA GLU D 61 -5.360 24.803 83.769 1.00 38.71 C +ATOM 458 C GLU D 61 -4.021 25.447 83.424 1.00 38.98 C +ATOM 459 O GLU D 61 -3.027 25.263 84.129 1.00 39.62 O +ATOM 460 CB GLU D 61 -5.471 23.486 83.011 1.00 36.30 C +ATOM 461 CG GLU D 61 -4.262 22.574 83.202 1.00 43.13 C +ATOM 462 CD GLU D 61 -4.002 22.245 84.671 1.00 47.69 C +ATOM 463 OE1 GLU D 61 -2.949 21.634 84.970 1.00 51.04 O +ATOM 464 OE2 GLU D 61 -4.852 22.596 85.527 1.00 50.66 O +ATOM 465 N ILE D 62 -4.002 26.184 82.324 1.00 38.41 N +ATOM 466 CA ILE D 62 -2.795 26.845 81.869 1.00 40.64 C +ATOM 467 C ILE D 62 -2.399 27.990 82.800 1.00 38.15 C +ATOM 468 O ILE D 62 -1.226 28.250 82.995 1.00 38.58 O +ATOM 469 CB ILE D 62 -2.984 27.378 80.424 1.00 42.46 C +ATOM 470 CG1 ILE D 62 -2.843 26.212 79.438 1.00 44.28 C +ATOM 471 CG2 ILE D 62 -1.979 28.488 80.124 1.00 44.39 C +ATOM 472 CD1 ILE D 62 -3.314 26.517 78.030 1.00 45.24 C +ATOM 473 N GLU D 63 -3.372 28.659 83.394 1.00 36.15 N +ATOM 474 CA GLU D 63 -3.031 29.771 84.264 1.00 37.56 C +ATOM 475 C GLU D 63 -2.419 29.205 85.539 1.00 33.80 C +ATOM 476 O GLU D 63 -1.454 29.742 86.077 1.00 33.37 O +ATOM 477 CB GLU D 63 -4.275 30.617 84.565 1.00 35.07 C +ATOM 478 CG GLU D 63 -5.095 30.959 83.324 1.00 41.23 C +ATOM 479 CD GLU D 63 -4.363 31.874 82.331 1.00 45.31 C +ATOM 480 OE1 GLU D 63 -3.122 32.019 82.424 1.00 42.36 O +ATOM 481 OE2 GLU D 63 -5.038 32.446 81.443 1.00 49.33 O +ATOM 482 N LEU D 64 -2.971 28.102 86.010 1.00 32.28 N +ATOM 483 CA LEU D 64 -2.450 27.482 87.222 1.00 31.19 C +ATOM 484 C LEU D 64 -1.000 27.088 87.000 1.00 27.71 C +ATOM 485 O LEU D 64 -0.145 27.460 87.785 1.00 29.51 O +ATOM 486 CB LEU D 64 -3.288 26.268 87.614 1.00 26.94 C +ATOM 487 CG LEU D 64 -2.866 25.605 88.921 1.00 29.82 C +ATOM 488 CD1 LEU D 64 -2.766 26.631 90.052 1.00 28.96 C +ATOM 489 CD2 LEU D 64 -3.872 24.531 89.264 1.00 28.45 C +ATOM 490 N LEU D 65 -0.717 26.372 85.922 1.00 26.54 N +ATOM 491 CA LEU D 65 0.666 25.975 85.620 1.00 28.03 C +ATOM 492 C LEU D 65 1.622 27.161 85.510 1.00 26.05 C +ATOM 493 O LEU D 65 2.747 27.090 85.975 1.00 31.08 O +ATOM 494 CB LEU D 65 0.714 25.140 84.335 1.00 26.79 C +ATOM 495 CG LEU D 65 0.058 23.755 84.554 1.00 30.02 C +ATOM 496 CD1 LEU D 65 -0.162 23.007 83.256 1.00 24.26 C +ATOM 497 CD2 LEU D 65 0.948 22.947 85.472 1.00 31.31 C +ATOM 498 N ARG D 66 1.175 28.245 84.896 1.00 28.49 N +ATOM 499 CA ARG D 66 1.987 29.454 84.727 1.00 28.82 C +ATOM 500 C ARG D 66 2.304 30.098 86.076 1.00 26.60 C +ATOM 501 O ARG D 66 3.409 30.594 86.290 1.00 27.60 O +ATOM 502 CB ARG D 66 1.240 30.469 83.867 1.00 28.26 C +ATOM 503 CG ARG D 66 1.334 30.258 82.389 1.00 29.56 C +ATOM 504 CD ARG D 66 0.373 31.242 81.679 1.00 34.53 C +ATOM 505 NE ARG D 66 0.652 31.336 80.256 1.00 38.15 N +ATOM 506 CZ ARG D 66 -0.243 31.645 79.322 1.00 41.34 C +ATOM 507 NH1 ARG D 66 -1.518 31.895 79.642 1.00 38.93 N +ATOM 508 NH2 ARG D 66 0.150 31.703 78.055 1.00 38.74 N +ATOM 509 N LEU D 67 1.307 30.104 86.958 1.00 26.43 N +ATOM 510 CA LEU D 67 1.418 30.640 88.309 1.00 28.24 C +ATOM 511 C LEU D 67 2.368 29.759 89.106 1.00 29.93 C +ATOM 512 O LEU D 67 3.181 30.251 89.887 1.00 30.20 O +ATOM 513 CB LEU D 67 0.037 30.650 89.003 1.00 30.00 C +ATOM 514 CG LEU D 67 -0.048 30.999 90.509 1.00 31.49 C +ATOM 515 CD1 LEU D 67 0.564 32.378 90.783 1.00 28.20 C +ATOM 516 CD2 LEU D 67 -1.512 31.000 90.961 1.00 32.35 C +ATOM 517 N GLU D 68 2.265 28.448 88.913 1.00 30.34 N +ATOM 518 CA GLU D 68 3.142 27.545 89.637 1.00 33.04 C +ATOM 519 C GLU D 68 4.553 27.744 89.124 1.00 33.01 C +ATOM 520 O GLU D 68 5.505 27.655 89.878 1.00 31.69 O +ATOM 521 CB GLU D 68 2.740 26.090 89.408 1.00 34.64 C +ATOM 522 CG GLU D 68 1.429 25.707 90.025 1.00 38.74 C +ATOM 523 CD GLU D 68 1.019 24.307 89.649 1.00 43.97 C +ATOM 524 OE1 GLU D 68 0.175 23.718 90.363 1.00 45.63 O +ATOM 525 OE2 GLU D 68 1.535 23.801 88.629 1.00 46.96 O +ATOM 526 N LEU D 69 4.686 28.015 87.832 1.00 31.80 N +ATOM 527 CA LEU D 69 6.007 28.176 87.276 1.00 30.99 C +ATOM 528 C LEU D 69 6.575 29.531 87.728 1.00 34.86 C +ATOM 529 O LEU D 69 7.784 29.691 87.851 1.00 32.72 O +ATOM 530 CB LEU D 69 5.949 28.051 85.756 1.00 27.41 C +ATOM 531 CG LEU D 69 7.313 28.084 85.052 1.00 30.91 C +ATOM 532 CD1 LEU D 69 8.113 26.836 85.447 1.00 30.25 C +ATOM 533 CD2 LEU D 69 7.129 28.157 83.528 1.00 28.64 C +ATOM 534 N ALA D 70 5.696 30.490 88.006 1.00 35.21 N +ATOM 535 CA ALA D 70 6.140 31.794 88.464 1.00 37.39 C +ATOM 536 C ALA D 70 6.604 31.667 89.916 1.00 38.29 C +ATOM 537 O ALA D 70 7.637 32.200 90.299 1.00 38.52 O +ATOM 538 CB ALA D 70 4.996 32.810 88.358 1.00 34.27 C +ATOM 539 N GLU D 71 5.817 30.968 90.718 1.00 39.31 N +ATOM 540 CA GLU D 71 6.141 30.747 92.119 1.00 42.49 C +ATOM 541 C GLU D 71 7.452 29.984 92.269 1.00 41.60 C +ATOM 542 O GLU D 71 8.252 30.278 93.153 1.00 43.75 O +ATOM 543 CB GLU D 71 5.000 29.993 92.801 1.00 44.17 C +ATOM 544 CG GLU D 71 3.709 30.802 92.766 1.00 49.35 C +ATOM 545 CD GLU D 71 2.527 30.109 93.409 1.00 52.29 C +ATOM 546 OE1 GLU D 71 2.200 28.971 93.012 1.00 57.12 O +ATOM 547 OE2 GLU D 71 1.910 30.715 94.308 1.00 53.17 O +ATOM 548 N MET D 72 7.679 29.011 91.405 1.00 39.88 N +ATOM 549 CA MET D 72 8.920 28.250 91.459 1.00 41.37 C +ATOM 550 C MET D 72 10.094 29.117 91.010 1.00 40.36 C +ATOM 551 O MET D 72 11.204 28.973 91.505 1.00 40.01 O +ATOM 552 CB MET D 72 8.853 27.044 90.537 1.00 42.46 C +ATOM 553 CG MET D 72 10.144 26.238 90.516 1.00 46.71 C +ATOM 554 SD MET D 72 10.336 25.271 92.021 1.00 53.04 S +ATOM 555 CE MET D 72 9.218 23.890 91.629 1.00 48.66 C +ATOM 556 N LYS D 73 9.852 29.997 90.046 1.00 39.10 N +ATOM 557 CA LYS D 73 10.898 30.864 89.546 1.00 39.00 C +ATOM 558 C LYS D 73 11.270 31.898 90.615 1.00 39.45 C +ATOM 559 O LYS D 73 12.411 32.343 90.681 1.00 36.88 O +ATOM 560 CB LYS D 73 10.429 31.567 88.273 1.00 39.80 C +ATOM 561 CG LYS D 73 11.391 32.639 87.746 1.00 38.83 C +ATOM 562 CD LYS D 73 12.588 32.007 87.082 1.00 35.74 C +ATOM 563 CE LYS D 73 13.523 33.070 86.557 1.00 36.61 C +ATOM 564 NZ LYS D 73 14.756 32.490 85.946 1.00 35.82 N +ATOM 565 N GLU D 74 10.306 32.252 91.459 1.00 43.52 N +ATOM 566 CA GLU D 74 10.520 33.241 92.528 1.00 48.24 C +ATOM 567 C GLU D 74 11.349 32.660 93.690 1.00 47.82 C +ATOM 568 O GLU D 74 12.315 33.277 94.162 1.00 46.30 O +ATOM 569 CB GLU D 74 9.171 33.742 93.046 1.00 50.61 C +ATOM 570 CG GLU D 74 9.267 34.944 93.972 1.00 57.01 C +ATOM 571 CD GLU D 74 7.899 35.449 94.435 1.00 61.94 C +ATOM 572 OE1 GLU D 74 7.855 36.474 95.159 1.00 65.40 O +ATOM 573 OE2 GLU D 74 6.872 34.825 94.076 1.00 62.96 O +ATOM 574 N LYS D 75 10.954 31.479 94.155 1.00 46.78 N +ATOM 575 CA LYS D 75 11.679 30.803 95.222 1.00 46.54 C +ATOM 576 C LYS D 75 13.110 30.597 94.719 1.00 46.22 C +ATOM 577 O LYS D 75 14.079 30.858 95.420 1.00 47.36 O +ATOM 578 CB LYS D 75 11.021 29.460 95.526 1.00 46.87 C +ATOM 579 CG LYS D 75 9.618 29.594 96.093 1.00 52.58 C +ATOM 580 CD LYS D 75 8.898 28.251 96.170 1.00 56.64 C +ATOM 581 CE LYS D 75 9.623 27.257 97.081 1.00 59.46 C +ATOM 582 NZ LYS D 75 8.861 25.984 97.244 1.00 60.74 N +ATOM 583 N TYR D 76 13.226 30.166 93.472 1.00 45.35 N +ATOM 584 CA TYR D 76 14.512 29.931 92.863 1.00 43.14 C +ATOM 585 C TYR D 76 15.430 31.144 92.798 1.00 43.71 C +ATOM 586 O TYR D 76 16.618 31.013 93.068 1.00 43.12 O +ATOM 587 CB TYR D 76 14.316 29.373 91.470 1.00 42.63 C +ATOM 588 CG TYR D 76 15.608 29.005 90.807 1.00 44.37 C +ATOM 589 CD1 TYR D 76 16.346 29.944 90.096 1.00 44.36 C +ATOM 590 CD2 TYR D 76 16.114 27.713 90.918 1.00 46.11 C +ATOM 591 CE1 TYR D 76 17.563 29.603 89.509 1.00 47.69 C +ATOM 592 CE2 TYR D 76 17.319 27.363 90.342 1.00 47.69 C +ATOM 593 CZ TYR D 76 18.040 28.308 89.640 1.00 47.87 C +ATOM 594 OH TYR D 76 19.237 27.944 89.073 1.00 53.87 O +ATOM 595 N GLU D 77 14.907 32.317 92.430 1.00 45.01 N +ATOM 596 CA GLU D 77 15.747 33.521 92.343 1.00 44.51 C +ATOM 597 C GLU D 77 16.084 34.091 93.714 1.00 42.80 C +ATOM 598 O GLU D 77 17.104 34.753 93.894 1.00 43.60 O +ATOM 599 CB GLU D 77 15.071 34.611 91.507 1.00 48.06 C +ATOM 600 CG GLU D 77 15.062 34.358 89.992 1.00 53.86 C +ATOM 601 CD GLU D 77 16.458 34.333 89.369 1.00 56.63 C +ATOM 602 OE1 GLU D 77 17.317 35.154 89.766 1.00 58.78 O +ATOM 603 OE2 GLU D 77 16.691 33.503 88.463 1.00 58.05 O +ATOM 604 N ALA D 78 15.214 33.864 94.681 1.00 41.07 N +ATOM 605 CA ALA D 78 15.486 34.341 96.024 1.00 42.44 C +ATOM 606 C ALA D 78 16.773 33.652 96.540 1.00 45.00 C +ATOM 607 O ALA D 78 17.633 34.297 97.157 1.00 43.78 O +ATOM 608 CB ALA D 78 14.290 34.030 96.948 1.00 38.75 C +ATOM 609 N ILE D 79 16.914 32.356 96.256 1.00 45.01 N +ATOM 610 CA ILE D 79 18.074 31.610 96.709 1.00 49.32 C +ATOM 611 C ILE D 79 19.356 31.910 95.926 1.00 52.72 C +ATOM 612 O ILE D 79 20.438 31.966 96.516 1.00 53.29 O +ATOM 613 CB ILE D 79 17.792 30.088 96.700 1.00 49.64 C +ATOM 614 CG1 ILE D 79 16.813 29.752 97.825 1.00 51.31 C +ATOM 615 CG2 ILE D 79 19.087 29.299 96.897 1.00 50.62 C +ATOM 616 CD1 ILE D 79 16.630 28.271 98.059 1.00 53.80 C +ATOM 617 N VAL D 80 19.249 32.101 94.611 1.00 54.72 N +ATOM 618 CA VAL D 80 20.429 32.415 93.814 1.00 56.55 C +ATOM 619 C VAL D 80 20.977 33.760 94.300 1.00 57.24 C +ATOM 620 O VAL D 80 22.172 34.037 94.186 1.00 56.90 O +ATOM 621 CB VAL D 80 20.111 32.502 92.296 1.00 56.34 C +ATOM 622 CG1 VAL D 80 19.491 31.202 91.825 1.00 57.20 C +ATOM 623 CG2 VAL D 80 19.196 33.678 92.013 1.00 56.86 C +ATOM 624 N GLU D 81 20.087 34.583 94.840 1.00 57.18 N +ATOM 625 CA GLU D 81 20.460 35.879 95.384 1.00 60.03 C +ATOM 626 C GLU D 81 21.197 35.617 96.703 1.00 60.99 C +ATOM 627 O GLU D 81 22.261 36.187 96.966 1.00 61.15 O +ATOM 628 CB GLU D 81 19.202 36.708 95.646 1.00 62.20 C +ATOM 629 CG GLU D 81 19.403 37.913 96.554 1.00 68.45 C +ATOM 630 CD GLU D 81 19.994 39.113 95.836 1.00 71.88 C +ATOM 631 OE1 GLU D 81 21.111 38.995 95.278 1.00 73.58 O +ATOM 632 OE2 GLU D 81 19.333 40.177 95.832 1.00 74.00 O +ATOM 633 N GLU D 82 20.623 34.739 97.524 1.00 59.45 N +ATOM 634 CA GLU D 82 21.212 34.386 98.810 1.00 57.40 C +ATOM 635 C GLU D 82 22.603 33.785 98.636 1.00 56.25 C +ATOM 636 O GLU D 82 23.546 34.163 99.337 1.00 55.97 O +ATOM 637 CB GLU D 82 20.299 33.411 99.538 1.00 54.97 C +ATOM 638 CG GLU D 82 19.001 34.056 99.961 1.00 53.53 C +ATOM 639 CD GLU D 82 17.939 33.044 100.330 1.00 53.87 C +ATOM 640 OE1 GLU D 82 16.830 33.461 100.719 1.00 55.21 O +ATOM 641 OE2 GLU D 82 18.208 31.832 100.222 1.00 54.34 O +ATOM 642 N ASN D 83 22.729 32.853 97.702 1.00 55.55 N +ATOM 643 CA ASN D 83 24.012 32.236 97.430 1.00 57.03 C +ATOM 644 C ASN D 83 25.013 33.279 96.960 1.00 59.59 C +ATOM 645 O ASN D 83 26.210 33.149 97.182 1.00 60.89 O +ATOM 646 CB ASN D 83 23.865 31.162 96.367 1.00 55.45 C +ATOM 647 CG ASN D 83 23.179 29.938 96.892 1.00 54.27 C +ATOM 648 OD1 ASN D 83 23.029 28.944 96.184 1.00 54.15 O +ATOM 649 ND2 ASN D 83 22.762 29.995 98.152 1.00 54.14 N +ATOM 650 N LYS D 84 24.516 34.314 96.299 1.00 61.81 N +ATOM 651 CA LYS D 84 25.380 35.377 95.821 1.00 63.22 C +ATOM 652 C LYS D 84 26.014 36.045 97.044 1.00 62.82 C +ATOM 653 O LYS D 84 27.233 36.169 97.130 1.00 62.99 O +ATOM 654 CB LYS D 84 24.555 36.389 95.020 1.00 65.27 C +ATOM 655 CG LYS D 84 25.354 37.480 94.330 1.00 68.07 C +ATOM 656 CD LYS D 84 24.439 38.343 93.467 1.00 70.96 C +ATOM 657 CE LYS D 84 23.757 37.502 92.387 1.00 73.95 C +ATOM 658 NZ LYS D 84 22.756 38.273 91.585 1.00 75.57 N +ATOM 659 N LYS D 85 25.184 36.458 97.996 1.00 62.20 N +ATOM 660 CA LYS D 85 25.684 37.108 99.198 1.00 62.40 C +ATOM 661 C LYS D 85 26.604 36.199 100.010 1.00 63.02 C +ATOM 662 O LYS D 85 27.641 36.633 100.496 1.00 63.48 O +ATOM 663 CB LYS D 85 24.520 37.586 100.055 1.00 61.16 C +ATOM 664 CG LYS D 85 23.757 38.734 99.427 1.00 60.61 C +ATOM 665 CD LYS D 85 22.691 39.260 100.369 1.00 62.06 C +ATOM 666 CE LYS D 85 21.878 40.377 99.722 1.00 63.51 C +ATOM 667 NZ LYS D 85 22.735 41.520 99.289 1.00 66.40 N +ATOM 668 N LEU D 86 26.228 34.936 100.152 1.00 63.95 N +ATOM 669 CA LEU D 86 27.047 33.988 100.897 1.00 64.10 C +ATOM 670 C LEU D 86 28.436 33.865 100.271 1.00 65.33 C +ATOM 671 O LEU D 86 29.437 33.743 100.977 1.00 65.74 O +ATOM 672 CB LEU D 86 26.366 32.614 100.928 1.00 62.27 C +ATOM 673 CG LEU D 86 25.554 32.192 102.158 1.00 62.34 C +ATOM 674 CD1 LEU D 86 25.027 33.399 102.916 1.00 60.82 C +ATOM 675 CD2 LEU D 86 24.416 31.284 101.703 1.00 61.28 C +ATOM 676 N LYS D 87 28.501 33.892 98.946 1.00 66.12 N +ATOM 677 CA LYS D 87 29.784 33.783 98.273 1.00 68.70 C +ATOM 678 C LYS D 87 30.545 35.093 98.381 1.00 69.40 C +ATOM 679 O LYS D 87 31.743 35.152 98.108 1.00 69.49 O +ATOM 680 CB LYS D 87 29.589 33.375 96.811 1.00 69.61 C +ATOM 681 CG LYS D 87 29.228 31.900 96.655 1.00 71.11 C +ATOM 682 CD LYS D 87 28.882 31.522 95.223 1.00 73.52 C +ATOM 683 CE LYS D 87 28.426 30.067 95.151 1.00 76.05 C +ATOM 684 NZ LYS D 87 27.749 29.723 93.865 1.00 77.58 N +ATOM 685 N ALA D 88 29.838 36.140 98.793 1.00 70.37 N +ATOM 686 CA ALA D 88 30.443 37.448 98.973 1.00 71.66 C +ATOM 687 C ALA D 88 31.259 37.392 100.254 1.00 73.59 C +ATOM 688 O ALA D 88 32.439 37.735 100.264 1.00 74.12 O +ATOM 689 CB ALA D 88 29.370 38.512 99.086 1.00 71.21 C +ATOM 690 N LYS D 89 30.621 36.953 101.336 1.00 75.50 N +ATOM 691 CA LYS D 89 31.285 36.830 102.629 1.00 76.85 C +ATOM 692 C LYS D 89 32.352 35.746 102.556 1.00 77.42 C +ATOM 693 O LYS D 89 33.478 35.937 103.002 1.00 77.63 O +ATOM 694 CB LYS D 89 30.271 36.462 103.718 1.00 78.02 C +ATOM 695 CG LYS D 89 29.319 37.581 104.125 1.00 78.68 C +ATOM 696 CD LYS D 89 29.983 38.527 105.104 1.00 79.31 C +ATOM 697 CE LYS D 89 29.028 39.623 105.556 1.00 79.89 C +ATOM 698 NZ LYS D 89 29.653 40.519 106.577 1.00 79.32 N +ATOM 699 N LEU D 90 31.986 34.605 101.986 1.00 79.03 N +ATOM 700 CA LEU D 90 32.902 33.480 101.863 1.00 81.36 C +ATOM 701 C LEU D 90 34.181 33.920 101.153 1.00 84.02 C +ATOM 702 O LEU D 90 35.220 33.264 101.242 1.00 83.63 O +ATOM 703 CB LEU D 90 32.227 32.343 101.088 1.00 79.96 C +ATOM 704 CG LEU D 90 32.570 30.905 101.491 1.00 78.95 C +ATOM 705 CD1 LEU D 90 34.076 30.700 101.425 1.00 79.21 C +ATOM 706 CD2 LEU D 90 32.049 30.621 102.893 1.00 76.95 C +ATOM 707 N ALA D 91 34.099 35.040 100.447 1.00 87.31 N +ATOM 708 CA ALA D 91 35.252 35.571 99.735 1.00 90.92 C +ATOM 709 C ALA D 91 36.055 36.455 100.686 1.00 92.99 C +ATOM 710 O ALA D 91 37.285 36.417 100.696 1.00 93.11 O +ATOM 711 CB ALA D 91 34.794 36.375 98.520 1.00 91.13 C +ATOM 712 N GLN D 92 35.350 37.249 101.485 1.00 95.12 N +ATOM 713 CA GLN D 92 36.002 38.124 102.448 1.00 98.02 C +ATOM 714 C GLN D 92 36.892 37.274 103.354 1.00 99.64 C +ATOM 715 O GLN D 92 38.118 37.366 103.299 1.00 99.75 O +ATOM 716 CB GLN D 92 34.955 38.866 103.281 1.00 98.20 C +ATOM 717 CG GLN D 92 34.032 39.758 102.462 1.00 99.78 C +ATOM 718 CD GLN D 92 33.031 40.515 103.320 1.00101.08 C +ATOM 719 OE1 GLN D 92 32.241 39.913 104.046 1.00102.33 O +ATOM 720 NE2 GLN D 92 33.060 41.842 103.237 1.00100.68 N +ATOM 721 N TYR D 93 36.269 36.440 104.180 1.00101.66 N +ATOM 722 CA TYR D 93 37.008 35.564 105.084 1.00103.20 C +ATOM 723 C TYR D 93 37.767 34.514 104.274 1.00104.18 C +ATOM 724 O TYR D 93 38.536 33.730 104.826 1.00104.24 O +ATOM 725 CB TYR D 93 36.045 34.864 106.057 1.00103.53 C +ATOM 726 CG TYR D 93 35.239 35.806 106.931 1.00103.98 C +ATOM 727 CD1 TYR D 93 35.870 36.729 107.763 1.00104.16 C +ATOM 728 CD2 TYR D 93 33.844 35.772 106.929 1.00104.15 C +ATOM 729 CE1 TYR D 93 35.136 37.598 108.571 1.00104.53 C +ATOM 730 CE2 TYR D 93 33.099 36.637 107.734 1.00104.55 C +ATOM 731 CZ TYR D 93 33.753 37.548 108.552 1.00104.75 C +ATOM 732 OH TYR D 93 33.031 38.412 109.349 1.00104.39 O +ATOM 733 N GLU D 94 37.542 34.514 102.961 1.00105.60 N +ATOM 734 CA GLU D 94 38.179 33.570 102.043 1.00106.83 C +ATOM 735 C GLU D 94 37.838 32.123 102.381 1.00107.31 C +ATOM 736 O GLU D 94 37.111 31.487 101.585 1.00107.53 O +ATOM 737 CB GLU D 94 39.698 33.746 102.057 1.00107.54 C +ATOM 738 CG GLU D 94 40.440 32.750 101.175 1.00108.73 C +ATOM 739 CD GLU D 94 41.948 32.871 101.293 1.00109.64 C +ATOM 740 OE1 GLU D 94 42.664 32.084 100.636 1.00110.07 O +ATOM 741 OE2 GLU D 94 42.419 33.755 102.043 1.00109.90 O +ATOM 742 OXT GLU D 94 38.302 31.642 103.437 1.00107.51 O Added: SwiftApps/modFTdock/input/indata/2z0b-2.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2z0b-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2z0b-2.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,820 @@ +ATOM 1 N SER B 6 9.555 61.129 -17.403 1.00 28.46 N +ATOM 2 CA SER B 6 10.737 61.875 -16.870 1.00 28.43 C +ATOM 3 C SER B 6 11.607 61.023 -15.943 1.00 28.37 C +ATOM 4 O SER B 6 12.770 61.358 -15.693 1.00 28.34 O +ATOM 5 CB SER B 6 10.286 63.152 -16.147 1.00 28.51 C +ATOM 6 OG SER B 6 9.386 62.863 -15.088 1.00 28.52 O +ATOM 7 N GLY B 7 11.042 59.921 -15.450 1.00 28.28 N +ATOM 8 CA GLY B 7 11.735 59.021 -14.526 1.00 28.12 C +ATOM 9 C GLY B 7 12.801 58.144 -15.165 1.00 27.97 C +ATOM 10 O GLY B 7 13.255 58.425 -16.277 1.00 28.10 O +ATOM 11 N PRO B 8 13.216 57.072 -14.460 1.00 27.79 N +ATOM 12 CA PRO B 8 14.241 56.167 -14.978 1.00 27.61 C +ATOM 13 C PRO B 8 13.687 55.015 -15.823 1.00 27.40 C +ATOM 14 O PRO B 8 12.680 54.397 -15.463 1.00 27.37 O +ATOM 15 CB PRO B 8 14.906 55.628 -13.707 1.00 27.66 C +ATOM 16 CG PRO B 8 13.876 55.795 -12.610 1.00 27.70 C +ATOM 17 CD PRO B 8 12.753 56.663 -13.121 1.00 27.80 C +ATOM 18 N SER B 9 14.353 54.744 -16.941 1.00 27.17 N +ATOM 19 CA SER B 9 13.979 53.651 -17.830 1.00 26.87 C +ATOM 20 C SER B 9 15.083 52.601 -17.862 1.00 26.66 C +ATOM 21 O SER B 9 16.193 52.864 -18.329 1.00 26.61 O +ATOM 22 CB SER B 9 13.696 54.172 -19.240 1.00 26.95 C +ATOM 23 OG SER B 9 13.333 53.112 -20.108 1.00 26.96 O +ATOM 24 N GLN B 10 14.764 51.415 -17.353 1.00 26.37 N +ATOM 25 CA GLN B 10 15.705 50.304 -17.297 1.00 26.06 C +ATOM 26 C GLN B 10 15.674 49.559 -18.630 1.00 25.61 C +ATOM 27 O GLN B 10 14.740 48.801 -18.908 1.00 25.58 O +ATOM 28 CB GLN B 10 15.339 49.382 -16.131 1.00 26.11 C +ATOM 29 CG GLN B 10 16.380 48.333 -15.793 1.00 26.29 C +ATOM 30 CD GLN B 10 15.986 47.477 -14.600 1.00 26.53 C +ATOM 31 OE1 GLN B 10 15.161 47.874 -13.773 1.00 27.03 O +ATOM 32 NE2 GLN B 10 16.583 46.294 -14.503 1.00 27.27 N +ATOM 33 N VAL B 11 16.698 49.785 -19.451 1.00 25.12 N +ATOM 34 CA VAL B 11 16.744 49.228 -20.805 1.00 24.68 C +ATOM 35 C VAL B 11 17.796 48.128 -20.978 1.00 24.44 C +ATOM 36 O VAL B 11 18.980 48.330 -20.702 1.00 24.33 O +ATOM 37 CB VAL B 11 16.957 50.339 -21.873 1.00 24.62 C +ATOM 38 CG1 VAL B 11 16.819 49.769 -23.278 1.00 24.51 C +ATOM 39 CG2 VAL B 11 15.960 51.477 -21.675 1.00 24.57 C +ATOM 40 N ALA B 12 17.344 46.966 -21.444 1.00 24.14 N +ATOM 41 CA ALA B 12 18.223 45.836 -21.706 1.00 23.84 C +ATOM 42 C ALA B 12 18.531 45.738 -23.198 1.00 23.72 C +ATOM 43 O ALA B 12 17.632 45.518 -24.013 1.00 23.51 O +ATOM 44 CB ALA B 12 17.597 44.538 -21.195 1.00 23.94 C +ATOM 45 N PHE B 13 19.803 45.922 -23.549 1.00 23.48 N +ATOM 46 CA PHE B 13 20.251 45.823 -24.938 1.00 23.42 C +ATOM 47 C PHE B 13 20.846 44.443 -25.202 1.00 23.55 C +ATOM 48 O PHE B 13 21.662 43.954 -24.415 1.00 23.51 O +ATOM 49 CB PHE B 13 21.279 46.911 -25.257 1.00 23.26 C +ATOM 50 CG PHE B 13 20.723 48.308 -25.220 1.00 23.09 C +ATOM 51 CD1 PHE B 13 20.162 48.877 -26.361 1.00 23.07 C +ATOM 52 CD2 PHE B 13 20.770 49.061 -24.048 1.00 22.85 C +ATOM 53 CE1 PHE B 13 19.650 50.172 -26.334 1.00 22.93 C +ATOM 54 CE2 PHE B 13 20.266 50.356 -24.012 1.00 22.58 C +ATOM 55 CZ PHE B 13 19.705 50.913 -25.157 1.00 22.80 C +ATOM 56 N GLU B 14 20.436 43.825 -26.310 1.00 23.58 N +ATOM 57 CA GLU B 14 20.884 42.478 -26.673 1.00 23.70 C +ATOM 58 C GLU B 14 21.380 42.384 -28.112 1.00 23.69 C +ATOM 59 O GLU B 14 20.832 43.030 -29.009 1.00 23.61 O +ATOM 60 CB GLU B 14 19.753 41.465 -26.460 1.00 23.66 C +ATOM 61 CG GLU B 14 19.312 41.320 -25.012 1.00 23.85 C +ATOM 62 CD GLU B 14 18.041 40.507 -24.842 1.00 24.09 C +ATOM 63 OE1 GLU B 14 17.626 39.803 -25.793 1.00 24.58 O +ATOM 64 OE2 GLU B 14 17.455 40.573 -23.739 1.00 24.59 O +ATOM 65 N ILE B 15 22.416 41.571 -28.320 1.00 23.73 N +ATOM 66 CA ILE B 15 22.966 41.311 -29.654 1.00 23.81 C +ATOM 67 C ILE B 15 23.750 39.992 -29.676 1.00 23.91 C +ATOM 68 O ILE B 15 24.277 39.558 -28.647 1.00 23.76 O +ATOM 69 CB ILE B 15 23.845 42.495 -30.178 1.00 23.71 C +ATOM 70 CG1 ILE B 15 23.888 42.493 -31.712 1.00 23.79 C +ATOM 71 CG2 ILE B 15 25.244 42.476 -29.546 1.00 23.58 C +ATOM 72 CD1 ILE B 15 24.391 43.770 -32.334 1.00 23.88 C +ATOM 73 N ARG B 16 23.805 39.359 -30.847 1.00 24.16 N +ATOM 74 CA ARG B 16 24.555 38.117 -31.037 1.00 24.43 C +ATOM 75 C ARG B 16 25.672 38.318 -32.057 1.00 24.37 C +ATOM 76 O ARG B 16 25.636 39.264 -32.846 1.00 24.44 O +ATOM 77 CB ARG B 16 23.649 36.972 -31.514 1.00 24.68 C +ATOM 78 CG ARG B 16 22.507 36.561 -30.589 1.00 25.49 C +ATOM 79 CD ARG B 16 21.224 37.298 -30.935 1.00 27.14 C +ATOM 80 NE ARG B 16 20.039 36.617 -30.418 1.00 27.73 N +ATOM 81 CZ ARG B 16 18.790 36.958 -30.720 1.00 28.39 C +ATOM 82 NH1 ARG B 16 18.555 37.973 -31.545 1.00 29.06 N +ATOM 83 NH2 ARG B 16 17.772 36.282 -30.204 1.00 28.25 N +ATOM 84 N GLY B 17 26.652 37.417 -32.045 1.00 24.28 N +ATOM 85 CA GLY B 17 27.770 37.475 -32.984 1.00 24.32 C +ATOM 86 C GLY B 17 28.966 36.655 -32.540 1.00 24.35 C +ATOM 87 O GLY B 17 29.021 36.191 -31.401 1.00 24.28 O +ATOM 88 N THR B 18 29.924 36.483 -33.448 1.00 24.47 N +ATOM 89 CA THR B 18 31.130 35.691 -33.187 1.00 24.62 C +ATOM 90 C THR B 18 32.252 36.546 -32.595 1.00 24.17 C +ATOM 91 O THR B 18 32.366 37.734 -32.910 1.00 24.41 O +ATOM 92 CB THR B 18 31.600 34.909 -34.457 1.00 24.93 C +ATOM 93 OG1 THR B 18 32.816 34.204 -34.174 1.00 26.01 O +ATOM 94 CG2 THR B 18 31.812 35.845 -35.655 1.00 25.44 C +ATOM 95 N LEU B 19 33.067 35.939 -31.732 1.00 23.65 N +ATOM 96 CA LEU B 19 34.132 36.660 -31.021 1.00 23.04 C +ATOM 97 C LEU B 19 35.420 35.855 -30.827 1.00 22.66 C +ATOM 98 O LEU B 19 35.399 34.624 -30.788 1.00 22.53 O +ATOM 99 CB LEU B 19 33.622 37.131 -29.652 1.00 22.93 C +ATOM 100 CG LEU B 19 32.524 38.197 -29.571 1.00 23.13 C +ATOM 101 CD1 LEU B 19 31.918 38.220 -28.184 1.00 23.19 C +ATOM 102 CD2 LEU B 19 33.046 39.576 -29.935 1.00 23.06 C +ATOM 103 N LEU B 20 36.536 36.569 -30.699 1.00 22.16 N +ATOM 104 CA LEU B 20 37.838 35.959 -30.429 1.00 21.84 C +ATOM 105 C LEU B 20 37.954 35.633 -28.932 1.00 21.57 C +ATOM 106 O LEU B 20 37.123 36.091 -28.145 1.00 21.59 O +ATOM 107 CB LEU B 20 38.971 36.900 -30.873 1.00 21.77 C +ATOM 108 CG LEU B 20 39.201 37.117 -32.375 1.00 21.70 C +ATOM 109 CD1 LEU B 20 40.075 38.339 -32.625 1.00 20.87 C +ATOM 110 CD2 LEU B 20 39.799 35.874 -33.048 1.00 21.57 C +ATOM 111 N PRO B 21 38.953 34.812 -28.535 1.00 21.29 N +ATOM 112 CA PRO B 21 39.149 34.518 -27.108 1.00 20.92 C +ATOM 113 C PRO B 21 39.221 35.765 -26.220 1.00 20.64 C +ATOM 114 O PRO B 21 40.042 36.655 -26.459 1.00 20.54 O +ATOM 115 CB PRO B 21 40.483 33.765 -27.091 1.00 20.97 C +ATOM 116 CG PRO B 21 40.524 33.078 -28.413 1.00 21.02 C +ATOM 117 CD PRO B 21 39.915 34.066 -29.375 1.00 21.34 C +ATOM 118 N GLY B 22 38.344 35.823 -25.219 1.00 20.26 N +ATOM 119 CA GLY B 22 38.300 36.931 -24.266 1.00 19.64 C +ATOM 120 C GLY B 22 37.655 38.215 -24.762 1.00 19.44 C +ATOM 121 O GLY B 22 37.464 39.161 -23.988 1.00 19.36 O +ATOM 122 N GLU B 23 37.322 38.252 -26.051 1.00 19.10 N +ATOM 123 CA GLU B 23 36.687 39.414 -26.665 1.00 18.90 C +ATOM 124 C GLU B 23 35.213 39.498 -26.249 1.00 18.77 C +ATOM 125 O GLU B 23 34.566 38.479 -26.013 1.00 18.88 O +ATOM 126 CB GLU B 23 36.824 39.349 -28.193 1.00 18.78 C +ATOM 127 CG GLU B 23 36.612 40.685 -28.919 1.00 18.27 C +ATOM 128 CD GLU B 23 36.760 40.581 -30.433 1.00 19.02 C +ATOM 129 OE1 GLU B 23 36.660 39.464 -30.993 1.00 18.05 O +ATOM 130 OE2 GLU B 23 36.974 41.630 -31.070 1.00 19.29 O +ATOM 131 N VAL B 24 34.701 40.718 -26.132 1.00 18.81 N +ATOM 132 CA VAL B 24 33.311 40.940 -25.735 1.00 18.71 C +ATOM 133 C VAL B 24 32.630 41.960 -26.649 1.00 18.92 C +ATOM 134 O VAL B 24 33.299 42.647 -27.431 1.00 18.59 O +ATOM 135 CB VAL B 24 33.198 41.430 -24.257 1.00 18.79 C +ATOM 136 CG1 VAL B 24 33.907 40.473 -23.300 1.00 18.59 C +ATOM 137 CG2 VAL B 24 33.733 42.858 -24.093 1.00 18.23 C +ATOM 138 N PHE B 25 31.303 42.045 -26.546 1.00 18.86 N +ATOM 139 CA PHE B 25 30.540 43.089 -27.214 1.00 19.05 C +ATOM 140 C PHE B 25 30.302 44.223 -26.229 1.00 19.35 C +ATOM 141 O PHE B 25 30.134 43.990 -25.026 1.00 19.24 O +ATOM 142 CB PHE B 25 29.197 42.575 -27.742 1.00 19.17 C +ATOM 143 CG PHE B 25 29.313 41.666 -28.929 1.00 19.02 C +ATOM 144 CD1 PHE B 25 29.842 42.132 -30.130 1.00 19.17 C +ATOM 145 CD2 PHE B 25 28.867 40.350 -28.859 1.00 19.52 C +ATOM 146 CE1 PHE B 25 29.942 41.296 -31.237 1.00 18.80 C +ATOM 147 CE2 PHE B 25 28.960 39.504 -29.964 1.00 19.18 C +ATOM 148 CZ PHE B 25 29.500 39.980 -31.156 1.00 19.27 C +ATOM 149 N ALA B 26 30.298 45.451 -26.737 1.00 19.29 N +ATOM 150 CA ALA B 26 30.075 46.614 -25.891 1.00 19.52 C +ATOM 151 C ALA B 26 29.119 47.576 -26.560 1.00 19.65 C +ATOM 152 O ALA B 26 28.988 47.585 -27.787 1.00 19.90 O +ATOM 153 CB ALA B 26 31.391 47.307 -25.573 1.00 19.49 C +ATOM 154 N ILE B 27 28.441 48.374 -25.742 1.00 19.83 N +ATOM 155 CA ILE B 27 27.526 49.391 -26.246 1.00 19.80 C +ATOM 156 C ILE B 27 28.031 50.776 -25.865 1.00 19.72 C +ATOM 157 O ILE B 27 28.382 51.031 -24.713 1.00 19.91 O +ATOM 158 CB ILE B 27 26.048 49.144 -25.793 1.00 20.01 C +ATOM 159 CG1 ILE B 27 25.096 50.151 -26.463 1.00 19.90 C +ATOM 160 CG2 ILE B 27 25.929 49.129 -24.260 1.00 19.82 C +ATOM 161 CD1 ILE B 27 23.635 49.947 -26.126 1.00 19.49 C +ATOM 162 N CYS B 28 28.093 51.657 -26.854 1.00 19.52 N +ATOM 163 CA CYS B 28 28.571 53.007 -26.642 1.00 19.44 C +ATOM 164 C CYS B 28 27.604 53.969 -27.333 1.00 19.57 C +ATOM 165 O CYS B 28 27.106 53.672 -28.423 1.00 19.35 O +ATOM 166 CB CYS B 28 29.987 53.141 -27.192 1.00 19.53 C +ATOM 167 SG CYS B 28 30.869 54.599 -26.640 1.00 19.27 S +ATOM 168 N GLY B 29 27.321 55.106 -26.699 1.00 19.52 N +ATOM 169 CA GLY B 29 26.323 56.026 -27.241 1.00 19.81 C +ATOM 170 C GLY B 29 26.310 57.448 -26.721 1.00 19.99 C +ATOM 171 O GLY B 29 27.216 57.869 -26.003 1.00 19.99 O +ATOM 172 N SER B 30 25.234 58.159 -27.057 1.00 20.13 N +ATOM 173 CA SER B 30 25.127 59.610 -26.877 1.00 20.43 C +ATOM 174 C SER B 30 24.683 60.167 -25.516 1.00 20.57 C +ATOM 175 O SER B 30 24.120 61.260 -25.464 1.00 21.01 O +ATOM 176 CB SER B 30 24.209 60.184 -27.961 1.00 20.22 C +ATOM 177 OG SER B 30 22.872 59.766 -27.747 1.00 20.43 O +ATOM 178 N CYS B 31 24.924 59.445 -24.427 1.00 20.77 N +ATOM 179 CA CYS B 31 24.593 59.967 -23.093 1.00 20.98 C +ATOM 180 C CYS B 31 25.588 59.497 -22.029 1.00 20.87 C +ATOM 181 O CYS B 31 26.490 58.706 -22.326 1.00 20.67 O +ATOM 182 CB CYS B 31 23.148 59.627 -22.702 1.00 21.06 C +ATOM 183 SG CYS B 31 22.788 57.874 -22.554 1.00 22.23 S +ATOM 184 N ASP B 32 25.429 59.998 -20.802 1.00 20.79 N +ATOM 185 CA ASP B 32 26.295 59.619 -19.673 1.00 20.72 C +ATOM 186 C ASP B 32 26.334 58.115 -19.437 1.00 20.29 C +ATOM 187 O ASP B 32 27.398 57.550 -19.165 1.00 20.44 O +ATOM 188 CB ASP B 32 25.849 60.316 -18.382 1.00 20.98 C +ATOM 189 CG ASP B 32 26.198 61.794 -18.355 1.00 21.95 C +ATOM 190 OD1 ASP B 32 27.001 62.243 -19.202 1.00 22.97 O +ATOM 191 OD2 ASP B 32 25.677 62.507 -17.468 1.00 22.58 O +ATOM 192 N ALA B 33 25.167 57.480 -19.535 1.00 19.89 N +ATOM 193 CA ALA B 33 25.022 56.041 -19.327 1.00 19.46 C +ATOM 194 C ALA B 33 25.763 55.212 -20.376 1.00 19.27 C +ATOM 195 O ALA B 33 26.242 54.110 -20.085 1.00 19.27 O +ATOM 196 CB ALA B 33 23.555 55.663 -19.300 1.00 19.36 C +ATOM 197 N LEU B 34 25.856 55.740 -21.591 1.00 18.81 N +ATOM 198 CA LEU B 34 26.507 55.014 -22.680 1.00 18.63 C +ATOM 199 C LEU B 34 27.892 55.559 -23.023 1.00 18.34 C +ATOM 200 O LEU B 34 28.490 55.193 -24.043 1.00 18.40 O +ATOM 201 CB LEU B 34 25.588 54.936 -23.903 1.00 18.56 C +ATOM 202 CG LEU B 34 24.283 54.168 -23.691 1.00 18.75 C +ATOM 203 CD1 LEU B 34 23.392 54.275 -24.923 1.00 18.74 C +ATOM 204 CD2 LEU B 34 24.540 52.701 -23.339 1.00 19.14 C +ATOM 205 N GLY B 35 28.385 56.439 -22.154 1.00 18.23 N +ATOM 206 CA GLY B 35 29.742 56.957 -22.234 1.00 17.90 C +ATOM 207 C GLY B 35 30.019 58.139 -23.134 1.00 17.75 C +ATOM 208 O GLY B 35 31.180 58.461 -23.358 1.00 17.33 O +ATOM 209 N ASN B 36 28.966 58.784 -23.647 1.00 17.80 N +ATOM 210 CA ASN B 36 29.100 59.947 -24.544 1.00 17.67 C +ATOM 211 C ASN B 36 30.069 59.694 -25.705 1.00 17.52 C +ATOM 212 O ASN B 36 30.961 60.506 -25.974 1.00 17.30 O +ATOM 213 CB ASN B 36 29.505 61.205 -23.759 1.00 17.71 C +ATOM 214 CG ASN B 36 28.430 61.668 -22.795 1.00 18.41 C +ATOM 215 OD1 ASN B 36 28.641 61.703 -21.581 1.00 19.80 O +ATOM 216 ND2 ASN B 36 27.273 62.031 -23.330 1.00 19.03 N +ATOM 217 N TRP B 37 29.890 58.548 -26.366 1.00 17.53 N +ATOM 218 CA TRP B 37 30.714 58.111 -27.505 1.00 17.44 C +ATOM 219 C TRP B 37 32.192 57.846 -27.196 1.00 17.34 C +ATOM 220 O TRP B 37 32.982 57.611 -28.108 1.00 17.09 O +ATOM 221 CB TRP B 37 30.571 59.054 -28.707 1.00 17.83 C +ATOM 222 CG TRP B 37 29.209 59.048 -29.320 1.00 18.16 C +ATOM 223 CD1 TRP B 37 28.310 60.075 -29.329 1.00 18.41 C +ATOM 224 CD2 TRP B 37 28.583 57.956 -30.008 1.00 19.25 C +ATOM 225 NE1 TRP B 37 27.165 59.696 -29.993 1.00 19.07 N +ATOM 226 CE2 TRP B 37 27.305 58.401 -30.420 1.00 18.99 C +ATOM 227 CE3 TRP B 37 28.981 56.646 -30.323 1.00 19.33 C +ATOM 228 CZ2 TRP B 37 26.415 57.581 -31.130 1.00 19.08 C +ATOM 229 CZ3 TRP B 37 28.095 55.830 -31.032 1.00 18.87 C +ATOM 230 CH2 TRP B 37 26.826 56.303 -31.424 1.00 18.55 C +ATOM 231 N ASN B 38 32.558 57.893 -25.915 1.00 17.35 N +ATOM 232 CA ASN B 38 33.916 57.590 -25.476 1.00 17.14 C +ATOM 233 C ASN B 38 33.986 56.078 -25.269 1.00 17.48 C +ATOM 234 O ASN B 38 33.314 55.552 -24.376 1.00 17.45 O +ATOM 235 CB ASN B 38 34.233 58.350 -24.173 1.00 17.43 C +ATOM 236 CG ASN B 38 35.625 58.045 -23.616 1.00 16.49 C +ATOM 237 OD1 ASN B 38 36.374 57.241 -24.165 1.00 15.97 O +ATOM 238 ND2 ASN B 38 35.973 58.708 -22.521 1.00 16.97 N +ATOM 239 N PRO B 39 34.772 55.368 -26.109 1.00 17.27 N +ATOM 240 CA PRO B 39 34.843 53.902 -26.013 1.00 17.38 C +ATOM 241 C PRO B 39 35.361 53.420 -24.652 1.00 17.57 C +ATOM 242 O PRO B 39 34.998 52.326 -24.207 1.00 17.00 O +ATOM 243 CB PRO B 39 35.826 53.506 -27.134 1.00 17.44 C +ATOM 244 CG PRO B 39 35.967 54.697 -27.994 1.00 17.28 C +ATOM 245 CD PRO B 39 35.633 55.901 -27.181 1.00 17.23 C +ATOM 246 N GLN B 40 36.189 54.243 -24.004 1.00 17.68 N +ATOM 247 CA GLN B 40 36.709 53.943 -22.665 1.00 17.89 C +ATOM 248 C GLN B 40 35.594 53.935 -21.620 1.00 18.03 C +ATOM 249 O GLN B 40 35.753 53.355 -20.550 1.00 18.56 O +ATOM 250 CB GLN B 40 37.812 54.936 -22.255 1.00 18.21 C +ATOM 251 CG GLN B 40 39.043 54.949 -23.181 1.00 17.78 C +ATOM 252 CD GLN B 40 39.669 53.575 -23.330 1.00 17.27 C +ATOM 253 OE1 GLN B 40 39.989 52.914 -22.343 1.00 16.63 O +ATOM 254 NE2 GLN B 40 39.815 53.122 -24.575 1.00 16.81 N +ATOM 255 N ASN B 41 34.472 54.583 -21.928 1.00 17.80 N +ATOM 256 CA ASN B 41 33.319 54.604 -21.022 1.00 17.81 C +ATOM 257 C ASN B 41 32.144 53.761 -21.532 1.00 17.88 C +ATOM 258 O ASN B 41 31.029 53.859 -21.019 1.00 17.42 O +ATOM 259 CB ASN B 41 32.864 56.046 -20.749 1.00 17.83 C +ATOM 260 CG ASN B 41 33.827 56.818 -19.867 1.00 17.75 C +ATOM 261 OD1 ASN B 41 33.745 58.045 -19.780 1.00 18.42 O +ATOM 262 ND2 ASN B 41 34.732 56.114 -19.200 1.00 16.33 N +ATOM 263 N ALA B 42 32.403 52.936 -22.547 1.00 17.96 N +ATOM 264 CA ALA B 42 31.385 52.047 -23.086 1.00 18.30 C +ATOM 265 C ALA B 42 31.019 50.998 -22.046 1.00 18.71 C +ATOM 266 O ALA B 42 31.788 50.733 -21.112 1.00 18.73 O +ATOM 267 CB ALA B 42 31.877 51.389 -24.359 1.00 18.34 C +ATOM 268 N VAL B 43 29.835 50.413 -22.197 1.00 19.07 N +ATOM 269 CA VAL B 43 29.363 49.402 -21.264 1.00 18.96 C +ATOM 270 C VAL B 43 29.517 48.028 -21.913 1.00 19.18 C +ATOM 271 O VAL B 43 28.980 47.780 -22.993 1.00 18.96 O +ATOM 272 CB VAL B 43 27.892 49.655 -20.846 1.00 19.03 C +ATOM 273 CG1 VAL B 43 27.405 48.587 -19.862 1.00 19.08 C +ATOM 274 CG2 VAL B 43 27.734 51.040 -20.244 1.00 18.64 C +ATOM 275 N ALA B 44 30.276 47.150 -21.259 1.00 19.41 N +ATOM 276 CA ALA B 44 30.466 45.783 -21.747 1.00 19.94 C +ATOM 277 C ALA B 44 29.207 44.960 -21.551 1.00 20.25 C +ATOM 278 O ALA B 44 28.597 44.982 -20.477 1.00 20.19 O +ATOM 279 CB ALA B 44 31.642 45.102 -21.032 1.00 19.92 C +ATOM 280 N LEU B 45 28.821 44.238 -22.598 1.00 20.73 N +ATOM 281 CA LEU B 45 27.707 43.321 -22.513 1.00 21.22 C +ATOM 282 C LEU B 45 28.192 42.064 -21.805 1.00 21.70 C +ATOM 283 O LEU B 45 29.388 41.753 -21.825 1.00 21.52 O +ATOM 284 CB LEU B 45 27.154 42.993 -23.906 1.00 21.26 C +ATOM 285 CG LEU B 45 26.166 43.962 -24.582 1.00 21.28 C +ATOM 286 CD1 LEU B 45 26.716 45.379 -24.755 1.00 21.37 C +ATOM 287 CD2 LEU B 45 25.727 43.409 -25.923 1.00 21.18 C +ATOM 288 N LEU B 46 27.261 41.363 -21.166 1.00 22.40 N +ATOM 289 CA LEU B 46 27.549 40.124 -20.451 1.00 23.11 C +ATOM 290 C LEU B 46 27.022 38.931 -21.243 1.00 23.41 C +ATOM 291 O LEU B 46 25.928 39.005 -21.807 1.00 23.47 O +ATOM 292 CB LEU B 46 26.904 40.135 -19.059 1.00 23.13 C +ATOM 293 CG LEU B 46 27.409 41.065 -17.946 1.00 23.47 C +ATOM 294 CD1 LEU B 46 27.118 42.538 -18.220 1.00 24.09 C +ATOM 295 CD2 LEU B 46 26.789 40.646 -16.619 1.00 23.36 C +ATOM 296 N PRO B 47 27.796 37.828 -21.292 1.00 23.89 N +ATOM 297 CA PRO B 47 27.322 36.623 -21.976 1.00 24.21 C +ATOM 298 C PRO B 47 26.165 35.977 -21.205 1.00 24.48 C +ATOM 299 O PRO B 47 26.296 35.690 -20.010 1.00 24.48 O +ATOM 300 CB PRO B 47 28.555 35.713 -21.981 1.00 24.25 C +ATOM 301 CG PRO B 47 29.362 36.166 -20.824 1.00 24.19 C +ATOM 302 CD PRO B 47 29.143 37.641 -20.718 1.00 23.88 C +ATOM 303 N GLU B 48 25.040 35.775 -21.889 1.00 24.72 N +ATOM 304 CA GLU B 48 23.844 35.211 -21.270 1.00 25.09 C +ATOM 305 C GLU B 48 23.622 33.756 -21.691 1.00 25.07 C +ATOM 306 O GLU B 48 23.262 33.471 -22.836 1.00 25.16 O +ATOM 307 CB GLU B 48 22.617 36.074 -21.598 1.00 25.09 C +ATOM 308 CG GLU B 48 21.310 35.585 -20.967 1.00 25.59 C +ATOM 309 CD GLU B 48 20.092 36.384 -21.409 1.00 25.46 C +ATOM 310 OE1 GLU B 48 20.194 37.622 -21.544 1.00 26.02 O +ATOM 311 OE2 GLU B 48 19.021 35.767 -21.607 1.00 25.92 O +ATOM 312 N SER B 54 28.836 32.295 -24.865 1.00 38.82 N +ATOM 313 CA SER B 54 27.477 32.171 -25.389 1.00 38.84 C +ATOM 314 C SER B 54 27.269 33.090 -26.597 1.00 38.65 C +ATOM 315 O SER B 54 28.004 34.069 -26.772 1.00 38.73 O +ATOM 316 CB SER B 54 26.458 32.505 -24.295 1.00 38.88 C +ATOM 317 OG SER B 54 26.608 33.851 -23.860 1.00 39.23 O +ATOM 326 N LEU B 56 24.352 34.870 -27.285 1.00 35.66 N +ATOM 327 CA LEU B 56 23.599 36.063 -26.883 1.00 34.69 C +ATOM 328 C LEU B 56 24.312 36.863 -25.790 1.00 33.75 C +ATOM 329 O LEU B 56 24.689 36.314 -24.751 1.00 33.64 O +ATOM 330 CB LEU B 56 22.180 35.688 -26.428 1.00 34.72 C +ATOM 331 CG LEU B 56 21.211 36.802 -25.996 1.00 35.06 C +ATOM 332 CD1 LEU B 56 20.773 37.673 -27.170 1.00 34.54 C +ATOM 333 CD2 LEU B 56 19.995 36.212 -25.301 1.00 34.79 C +ATOM 334 N TRP B 57 24.479 38.161 -26.041 1.00 32.69 N +ATOM 335 CA TRP B 57 25.124 39.086 -25.105 1.00 31.55 C +ATOM 336 C TRP B 57 24.138 40.169 -24.669 1.00 30.92 C +ATOM 337 O TRP B 57 23.389 40.698 -25.491 1.00 30.74 O +ATOM 338 CB TRP B 57 26.362 39.712 -25.749 1.00 31.47 C +ATOM 339 CG TRP B 57 27.496 38.750 -25.917 1.00 31.16 C +ATOM 340 CD1 TRP B 57 27.585 37.740 -26.829 1.00 31.07 C +ATOM 341 CD2 TRP B 57 28.710 38.714 -25.159 1.00 31.05 C +ATOM 342 NE1 TRP B 57 28.774 37.069 -26.680 1.00 31.15 N +ATOM 343 CE2 TRP B 57 29.485 37.646 -25.662 1.00 31.07 C +ATOM 344 CE3 TRP B 57 29.219 39.478 -24.100 1.00 30.77 C +ATOM 345 CZ2 TRP B 57 30.743 37.321 -25.143 1.00 31.17 C +ATOM 346 CZ3 TRP B 57 30.468 39.156 -23.585 1.00 31.03 C +ATOM 347 CH2 TRP B 57 31.217 38.087 -24.109 1.00 30.94 C +ATOM 348 N LYS B 58 24.148 40.501 -23.379 1.00 30.13 N +ATOM 349 CA LYS B 58 23.177 41.447 -22.823 1.00 29.51 C +ATOM 350 C LYS B 58 23.747 42.437 -21.797 1.00 28.97 C +ATOM 351 O LYS B 58 24.622 42.097 -20.998 1.00 28.66 O +ATOM 352 CB LYS B 58 21.982 40.671 -22.242 1.00 29.58 C +ATOM 353 CG LYS B 58 20.809 41.519 -21.738 1.00 30.10 C +ATOM 354 CD LYS B 58 20.777 41.660 -20.219 1.00 30.84 C +ATOM 355 CE LYS B 58 20.190 40.413 -19.564 1.00 31.11 C +ATOM 356 NZ LYS B 58 20.022 40.573 -18.094 1.00 31.77 N +ATOM 357 N ALA B 59 23.227 43.662 -21.837 1.00 28.33 N +ATOM 358 CA ALA B 59 23.588 44.709 -20.884 1.00 27.87 C +ATOM 359 C ALA B 59 22.340 45.475 -20.442 1.00 27.45 C +ATOM 360 O ALA B 59 21.557 45.933 -21.279 1.00 27.33 O +ATOM 361 CB ALA B 59 24.619 45.661 -21.496 1.00 27.96 C +ATOM 362 N THR B 60 22.154 45.601 -19.130 1.00 26.89 N +ATOM 363 CA THR B 60 21.018 46.342 -18.579 1.00 26.46 C +ATOM 364 C THR B 60 21.467 47.727 -18.112 1.00 26.20 C +ATOM 365 O THR B 60 22.260 47.855 -17.178 1.00 26.07 O +ATOM 366 CB THR B 60 20.332 45.570 -17.440 1.00 26.47 C +ATOM 367 OG1 THR B 60 19.899 44.294 -17.929 1.00 26.61 O +ATOM 368 CG2 THR B 60 19.131 46.338 -16.924 1.00 26.18 C +ATOM 369 N ILE B 61 20.939 48.755 -18.771 1.00 25.95 N +ATOM 370 CA ILE B 61 21.366 50.137 -18.557 1.00 25.83 C +ATOM 371 C ILE B 61 20.185 51.067 -18.283 1.00 25.57 C +ATOM 372 O ILE B 61 19.143 50.972 -18.936 1.00 25.46 O +ATOM 373 CB ILE B 61 22.185 50.630 -19.784 1.00 25.84 C +ATOM 374 CG1 ILE B 61 23.460 49.790 -19.928 1.00 26.26 C +ATOM 375 CG2 ILE B 61 22.525 52.115 -19.680 1.00 25.78 C +ATOM 376 CD1 ILE B 61 23.981 49.684 -21.342 1.00 26.99 C +ATOM 377 N VAL B 62 20.362 51.961 -17.313 1.00 25.36 N +ATOM 378 CA VAL B 62 19.329 52.927 -16.944 1.00 25.12 C +ATOM 379 C VAL B 62 19.480 54.219 -17.752 1.00 25.04 C +ATOM 380 O VAL B 62 20.510 54.895 -17.681 1.00 24.92 O +ATOM 381 CB VAL B 62 19.346 53.240 -15.421 1.00 25.09 C +ATOM 382 CG1 VAL B 62 18.186 54.154 -15.044 1.00 24.88 C +ATOM 383 CG2 VAL B 62 19.286 51.951 -14.606 1.00 25.11 C +ATOM 384 N LEU B 63 18.447 54.543 -18.525 1.00 25.00 N +ATOM 385 CA LEU B 63 18.417 55.764 -19.327 1.00 24.99 C +ATOM 386 C LEU B 63 17.298 56.678 -18.833 1.00 25.15 C +ATOM 387 O LEU B 63 16.475 56.268 -18.008 1.00 25.18 O +ATOM 388 CB LEU B 63 18.211 55.436 -20.813 1.00 24.92 C +ATOM 389 CG LEU B 63 19.140 54.453 -21.541 1.00 24.71 C +ATOM 390 CD1 LEU B 63 18.675 54.255 -22.977 1.00 24.65 C +ATOM 391 CD2 LEU B 63 20.592 54.902 -21.517 1.00 24.62 C +ATOM 392 N SER B 64 17.273 57.914 -19.326 1.00 25.28 N +ATOM 393 CA SER B 64 16.210 58.852 -18.971 1.00 25.41 C +ATOM 394 C SER B 64 15.026 58.688 -19.915 1.00 25.39 C +ATOM 395 O SER B 64 15.188 58.712 -21.137 1.00 25.32 O +ATOM 396 CB SER B 64 16.711 60.300 -18.980 1.00 25.48 C +ATOM 397 OG SER B 64 17.626 60.532 -17.923 1.00 25.80 O +ATOM 398 N ARG B 65 13.845 58.510 -19.327 1.00 25.41 N +ATOM 399 CA ARG B 65 12.595 58.341 -20.066 1.00 25.48 C +ATOM 400 C ARG B 65 12.272 59.584 -20.897 1.00 25.40 C +ATOM 401 O ARG B 65 12.374 60.712 -20.408 1.00 25.39 O +ATOM 402 CB ARG B 65 11.450 58.043 -19.088 1.00 25.54 C +ATOM 403 CG ARG B 65 10.092 57.786 -19.728 1.00 25.97 C +ATOM 404 CD ARG B 65 8.967 57.929 -18.706 1.00 27.02 C +ATOM 405 NE ARG B 65 8.872 56.787 -17.796 1.00 27.51 N +ATOM 406 CZ ARG B 65 7.889 55.889 -17.814 1.00 27.61 C +ATOM 407 NH1 ARG B 65 6.892 55.996 -18.685 1.00 27.77 N +ATOM 408 NH2 ARG B 65 7.893 54.886 -16.946 1.00 27.70 N +ATOM 409 N GLY B 66 11.899 59.362 -22.156 1.00 25.35 N +ATOM 410 CA GLY B 66 11.502 60.437 -23.068 1.00 25.26 C +ATOM 411 C GLY B 66 12.628 61.088 -23.853 1.00 25.22 C +ATOM 412 O GLY B 66 12.371 61.879 -24.764 1.00 25.27 O +ATOM 413 N VAL B 67 13.870 60.750 -23.510 1.00 25.05 N +ATOM 414 CA VAL B 67 15.044 61.346 -24.145 1.00 24.93 C +ATOM 415 C VAL B 67 15.608 60.463 -25.262 1.00 24.87 C +ATOM 416 O VAL B 67 15.933 59.293 -25.038 1.00 24.94 O +ATOM 417 CB VAL B 67 16.154 61.671 -23.103 1.00 24.93 C +ATOM 418 CG1 VAL B 67 17.368 62.316 -23.771 1.00 24.80 C +ATOM 419 CG2 VAL B 67 15.612 62.578 -22.002 1.00 24.90 C +ATOM 420 N SER B 68 15.721 61.040 -26.458 1.00 24.76 N +ATOM 421 CA SER B 68 16.283 60.354 -27.621 1.00 24.57 C +ATOM 422 C SER B 68 17.785 60.116 -27.462 1.00 24.38 C +ATOM 423 O SER B 68 18.548 61.048 -27.186 1.00 24.39 O +ATOM 424 CB SER B 68 16.010 61.149 -28.899 1.00 24.63 C +ATOM 425 OG SER B 68 16.646 60.546 -30.012 1.00 25.02 O +ATOM 426 N VAL B 69 18.193 58.861 -27.643 1.00 24.07 N +ATOM 427 CA VAL B 69 19.585 58.445 -27.493 1.00 23.72 C +ATOM 428 C VAL B 69 20.053 57.643 -28.710 1.00 23.59 C +ATOM 429 O VAL B 69 19.353 56.739 -29.171 1.00 23.58 O +ATOM 430 CB VAL B 69 19.784 57.619 -26.184 1.00 23.72 C +ATOM 431 CG1 VAL B 69 21.137 56.910 -26.161 1.00 23.89 C +ATOM 432 CG2 VAL B 69 19.630 58.505 -24.954 1.00 23.50 C +ATOM 433 N GLN B 70 21.229 57.992 -29.230 1.00 23.47 N +ATOM 434 CA GLN B 70 21.847 57.273 -30.350 1.00 23.33 C +ATOM 435 C GLN B 70 22.950 56.352 -29.824 1.00 23.10 C +ATOM 436 O GLN B 70 23.658 56.716 -28.884 1.00 22.90 O +ATOM 437 CB GLN B 70 22.415 58.250 -31.388 1.00 23.38 C +ATOM 438 CG GLN B 70 21.366 59.113 -32.107 1.00 24.19 C +ATOM 439 CD GLN B 70 20.834 60.257 -31.252 1.00 25.37 C +ATOM 440 OE1 GLN B 70 21.597 60.958 -30.579 1.00 26.49 O +ATOM 441 NE2 GLN B 70 19.520 60.460 -31.286 1.00 25.95 N +ATOM 442 N TYR B 71 23.099 55.170 -30.426 1.00 22.83 N +ATOM 443 CA TYR B 71 24.085 54.184 -29.954 1.00 22.62 C +ATOM 444 C TYR B 71 24.571 53.220 -31.043 1.00 22.66 C +ATOM 445 O TYR B 71 23.901 53.026 -32.056 1.00 22.28 O +ATOM 446 CB TYR B 71 23.518 53.380 -28.769 1.00 22.44 C +ATOM 447 CG TYR B 71 22.378 52.444 -29.125 1.00 22.44 C +ATOM 448 CD1 TYR B 71 22.617 51.097 -29.399 1.00 22.37 C +ATOM 449 CD2 TYR B 71 21.061 52.905 -29.186 1.00 22.27 C +ATOM 450 CE1 TYR B 71 21.573 50.231 -29.729 1.00 22.46 C +ATOM 451 CE2 TYR B 71 20.008 52.048 -29.521 1.00 22.30 C +ATOM 452 CZ TYR B 71 20.271 50.716 -29.789 1.00 22.40 C +ATOM 453 OH TYR B 71 19.236 49.872 -30.113 1.00 21.90 O +ATOM 454 N ARG B 72 25.739 52.623 -30.806 1.00 22.51 N +ATOM 455 CA ARG B 72 26.334 51.613 -31.686 1.00 22.68 C +ATOM 456 C ARG B 72 27.030 50.556 -30.828 1.00 22.01 C +ATOM 457 O ARG B 72 27.414 50.824 -29.684 1.00 21.65 O +ATOM 458 CB ARG B 72 27.366 52.236 -32.636 1.00 22.57 C +ATOM 459 CG ARG B 72 26.830 53.268 -33.622 1.00 24.00 C +ATOM 460 CD ARG B 72 27.978 54.000 -34.313 1.00 24.90 C +ATOM 461 NE ARG B 72 28.577 53.228 -35.403 1.00 29.40 N +ATOM 462 CZ ARG B 72 29.813 53.412 -35.866 1.00 31.21 C +ATOM 463 NH1 ARG B 72 30.613 54.324 -35.319 1.00 32.30 N +ATOM 464 NH2 ARG B 72 30.263 52.663 -36.867 1.00 32.38 N +ATOM 465 N TYR B 73 27.186 49.355 -31.378 1.00 21.46 N +ATOM 466 CA TYR B 73 27.904 48.292 -30.687 1.00 20.90 C +ATOM 467 C TYR B 73 29.304 48.150 -31.264 1.00 20.72 C +ATOM 468 O TYR B 73 29.533 48.411 -32.451 1.00 20.64 O +ATOM 469 CB TYR B 73 27.186 46.943 -30.829 1.00 20.67 C +ATOM 470 CG TYR B 73 25.808 46.860 -30.209 1.00 20.21 C +ATOM 471 CD1 TYR B 73 25.648 46.585 -28.851 1.00 18.84 C +ATOM 472 CD2 TYR B 73 24.662 47.020 -30.990 1.00 20.04 C +ATOM 473 CE1 TYR B 73 24.387 46.494 -28.281 1.00 19.12 C +ATOM 474 CE2 TYR B 73 23.393 46.928 -30.431 1.00 19.62 C +ATOM 475 CZ TYR B 73 23.262 46.666 -29.076 1.00 19.91 C +ATOM 476 OH TYR B 73 22.009 46.575 -28.515 1.00 20.20 O +ATOM 477 N PHE B 74 30.246 47.751 -30.417 1.00 20.31 N +ATOM 478 CA PHE B 74 31.550 47.351 -30.915 1.00 19.96 C +ATOM 479 C PHE B 74 31.999 46.066 -30.243 1.00 19.89 C +ATOM 480 O PHE B 74 31.420 45.636 -29.244 1.00 19.72 O +ATOM 481 CB PHE B 74 32.608 48.479 -30.840 1.00 19.75 C +ATOM 482 CG PHE B 74 33.009 48.890 -29.444 1.00 19.75 C +ATOM 483 CD1 PHE B 74 32.474 50.036 -28.864 1.00 20.03 C +ATOM 484 CD2 PHE B 74 33.967 48.166 -28.734 1.00 18.69 C +ATOM 485 CE1 PHE B 74 32.865 50.439 -27.586 1.00 19.39 C +ATOM 486 CE2 PHE B 74 34.361 48.551 -27.453 1.00 18.61 C +ATOM 487 CZ PHE B 74 33.814 49.692 -26.879 1.00 19.76 C +ATOM 488 N LYS B 75 32.989 45.423 -30.847 1.00 19.92 N +ATOM 489 CA LYS B 75 33.630 44.271 -30.250 1.00 19.82 C +ATOM 490 C LYS B 75 35.011 44.729 -29.821 1.00 19.16 C +ATOM 491 O LYS B 75 35.662 45.517 -30.515 1.00 18.76 O +ATOM 492 CB LYS B 75 33.713 43.091 -31.223 1.00 19.70 C +ATOM 493 CG LYS B 75 34.352 43.416 -32.571 1.00 20.67 C +ATOM 494 CD LYS B 75 34.631 42.176 -33.428 1.00 21.02 C +ATOM 495 CE LYS B 75 33.376 41.508 -33.949 1.00 24.68 C +ATOM 496 NZ LYS B 75 32.612 40.847 -32.857 1.00 26.35 N +ATOM 497 N GLY B 76 35.450 44.242 -28.672 1.00 18.90 N +ATOM 498 CA GLY B 76 36.742 44.629 -28.146 1.00 18.80 C +ATOM 499 C GLY B 76 37.072 43.963 -26.833 1.00 18.85 C +ATOM 500 O GLY B 76 36.439 42.991 -26.439 1.00 18.89 O +ATOM 501 N TYR B 77 38.069 44.518 -26.155 1.00 18.85 N +ATOM 502 CA TYR B 77 38.588 43.954 -24.915 1.00 18.83 C +ATOM 503 C TYR B 77 38.507 44.971 -23.793 1.00 18.77 C +ATOM 504 O TYR B 77 38.836 46.144 -23.988 1.00 18.50 O +ATOM 505 CB TYR B 77 40.042 43.504 -25.114 1.00 18.67 C +ATOM 506 CG TYR B 77 40.194 42.547 -26.272 1.00 18.93 C +ATOM 507 CD1 TYR B 77 40.081 41.173 -26.083 1.00 18.80 C +ATOM 508 CD2 TYR B 77 40.411 43.021 -27.567 1.00 18.96 C +ATOM 509 CE1 TYR B 77 40.199 40.291 -27.149 1.00 19.51 C +ATOM 510 CE2 TYR B 77 40.528 42.145 -28.643 1.00 19.56 C +ATOM 511 CZ TYR B 77 40.420 40.785 -28.427 1.00 19.09 C +ATOM 512 OH TYR B 77 40.534 39.922 -29.490 1.00 19.61 O +ATOM 513 N PHE B 78 38.041 44.505 -22.635 1.00 18.65 N +ATOM 514 CA PHE B 78 37.981 45.304 -21.416 1.00 19.23 C +ATOM 515 C PHE B 78 39.064 44.766 -20.492 1.00 19.41 C +ATOM 516 O PHE B 78 38.980 43.640 -19.993 1.00 19.33 O +ATOM 517 CB PHE B 78 36.589 45.233 -20.774 1.00 19.05 C +ATOM 518 CG PHE B 78 35.555 46.085 -21.469 1.00 19.29 C +ATOM 519 CD1 PHE B 78 34.972 47.164 -20.812 1.00 19.31 C +ATOM 520 CD2 PHE B 78 35.177 45.820 -22.787 1.00 19.59 C +ATOM 521 CE1 PHE B 78 34.022 47.959 -21.451 1.00 19.13 C +ATOM 522 CE2 PHE B 78 34.229 46.613 -23.436 1.00 20.34 C +ATOM 523 CZ PHE B 78 33.654 47.687 -22.763 1.00 18.67 C +ATOM 524 N LEU B 79 40.092 45.579 -20.288 1.00 19.92 N +ATOM 525 CA LEU B 79 41.280 45.152 -19.570 1.00 20.95 C +ATOM 526 C LEU B 79 41.257 45.486 -18.093 1.00 21.68 C +ATOM 527 O LEU B 79 40.728 46.515 -17.688 1.00 21.87 O +ATOM 528 CB LEU B 79 42.529 45.771 -20.204 1.00 20.79 C +ATOM 529 CG LEU B 79 42.709 45.632 -21.722 1.00 21.80 C +ATOM 530 CD1 LEU B 79 43.916 46.411 -22.154 1.00 22.73 C +ATOM 531 CD2 LEU B 79 42.837 44.199 -22.160 1.00 23.31 C +ATOM 532 N GLU B 80 41.847 44.602 -17.299 1.00 22.40 N +ATOM 533 CA GLU B 80 42.042 44.837 -15.881 1.00 24.01 C +ATOM 534 C GLU B 80 42.969 46.064 -15.759 1.00 23.99 C +ATOM 535 O GLU B 80 43.802 46.292 -16.644 1.00 23.57 O +ATOM 536 CB GLU B 80 42.679 43.593 -15.244 1.00 24.00 C +ATOM 537 CG GLU B 80 42.435 43.421 -13.758 1.00 27.73 C +ATOM 538 CD GLU B 80 40.998 43.034 -13.422 1.00 30.91 C +ATOM 539 OE1 GLU B 80 40.579 41.902 -13.757 1.00 31.68 O +ATOM 540 OE2 GLU B 80 40.301 43.857 -12.790 1.00 33.17 O +ATOM 541 N PRO B 81 42.817 46.868 -14.684 1.00 24.56 N +ATOM 542 CA PRO B 81 43.710 48.011 -14.481 1.00 24.86 C +ATOM 543 C PRO B 81 45.184 47.603 -14.522 1.00 25.15 C +ATOM 544 O PRO B 81 45.556 46.555 -13.984 1.00 24.84 O +ATOM 545 CB PRO B 81 43.369 48.480 -13.060 1.00 24.80 C +ATOM 546 CG PRO B 81 42.006 47.991 -12.800 1.00 24.99 C +ATOM 547 CD PRO B 81 41.810 46.753 -13.610 1.00 24.56 C +ATOM 548 N LYS B 82 46.003 48.435 -15.158 1.00 25.52 N +ATOM 549 CA LYS B 82 47.437 48.200 -15.269 1.00 26.33 C +ATOM 550 C LYS B 82 48.118 48.477 -13.929 1.00 26.16 C +ATOM 551 O LYS B 82 49.028 47.753 -13.518 1.00 26.02 O +ATOM 552 CB LYS B 82 48.016 49.080 -16.379 1.00 26.36 C +ATOM 553 CG LYS B 82 49.486 48.856 -16.672 1.00 27.17 C +ATOM 554 CD LYS B 82 49.969 49.745 -17.813 1.00 27.71 C +ATOM 555 CE LYS B 82 49.452 49.271 -19.164 1.00 30.07 C +ATOM 556 NZ LYS B 82 50.070 50.039 -20.280 1.00 31.99 N +ATOM 557 N THR B 83 47.658 49.533 -13.261 1.00 26.35 N +ATOM 558 CA THR B 83 48.119 49.900 -11.929 1.00 26.86 C +ATOM 559 C THR B 83 46.985 49.608 -10.952 1.00 26.68 C +ATOM 560 O THR B 83 45.814 49.594 -11.336 1.00 26.74 O +ATOM 561 CB THR B 83 48.485 51.396 -11.845 1.00 26.93 C +ATOM 562 OG1 THR B 83 47.338 52.186 -12.182 1.00 27.17 O +ATOM 563 CG2 THR B 83 49.625 51.730 -12.804 1.00 27.52 C +ATOM 564 N ILE B 84 47.329 49.389 -9.692 1.00 26.58 N +ATOM 565 CA ILE B 84 46.334 49.075 -8.673 1.00 26.64 C +ATOM 566 C ILE B 84 45.263 50.172 -8.547 1.00 26.50 C +ATOM 567 O ILE B 84 45.564 51.324 -8.217 1.00 26.63 O +ATOM 568 CB ILE B 84 47.000 48.782 -7.300 1.00 26.64 C +ATOM 569 CG1 ILE B 84 48.045 47.654 -7.419 1.00 26.85 C +ATOM 570 CG2 ILE B 84 45.946 48.497 -6.222 1.00 26.63 C +ATOM 571 CD1 ILE B 84 47.528 46.336 -8.013 1.00 26.89 C +ATOM 572 N GLY B 85 44.019 49.793 -8.828 1.00 26.26 N +ATOM 573 CA GLY B 85 42.884 50.701 -8.730 1.00 26.25 C +ATOM 574 C GLY B 85 42.657 51.585 -9.943 1.00 26.41 C +ATOM 575 O GLY B 85 41.753 52.423 -9.936 1.00 26.38 O +ATOM 576 N GLY B 86 43.464 51.392 -10.985 1.00 26.28 N +ATOM 577 CA GLY B 86 43.347 52.169 -12.221 1.00 26.67 C +ATOM 578 C GLY B 86 42.051 51.897 -12.965 1.00 26.94 C +ATOM 579 O GLY B 86 41.296 51.002 -12.596 1.00 26.76 O +ATOM 580 N PRO B 87 41.771 52.674 -14.024 1.00 27.47 N +ATOM 581 CA PRO B 87 40.540 52.397 -14.756 1.00 27.57 C +ATOM 582 C PRO B 87 40.713 51.183 -15.666 1.00 27.58 C +ATOM 583 O PRO B 87 41.844 50.824 -16.002 1.00 27.49 O +ATOM 584 CB PRO B 87 40.345 53.662 -15.592 1.00 27.79 C +ATOM 585 CG PRO B 87 41.732 54.150 -15.845 1.00 27.73 C +ATOM 586 CD PRO B 87 42.525 53.802 -14.604 1.00 27.77 C +ATOM 587 N CYS B 88 39.603 50.537 -16.014 1.00 28.09 N +ATOM 588 CA CYS B 88 39.607 49.468 -17.002 1.00 27.96 C +ATOM 589 C CYS B 88 39.923 50.116 -18.344 1.00 27.27 C +ATOM 590 O CYS B 88 39.308 51.120 -18.707 1.00 27.58 O +ATOM 591 CB CYS B 88 38.234 48.784 -17.053 1.00 28.21 C +ATOM 592 SG CYS B 88 37.917 47.756 -18.522 1.00 31.12 S +ATOM 593 N GLN B 89 40.909 49.585 -19.058 1.00 26.40 N +ATOM 594 CA GLN B 89 41.220 50.106 -20.375 1.00 25.40 C +ATOM 595 C GLN B 89 40.417 49.332 -21.409 1.00 24.47 C +ATOM 596 O GLN B 89 40.288 48.108 -21.328 1.00 24.45 O +ATOM 597 CB GLN B 89 42.717 50.046 -20.696 1.00 25.36 C +ATOM 598 CG GLN B 89 43.057 50.752 -22.028 1.00 25.90 C +ATOM 599 CD GLN B 89 44.528 50.748 -22.396 1.00 25.84 C +ATOM 600 OE1 GLN B 89 44.882 50.984 -23.557 1.00 28.10 O +ATOM 601 NE2 GLN B 89 45.392 50.489 -21.425 1.00 26.72 N +ATOM 602 N VAL B 90 39.876 50.057 -22.377 1.00 23.28 N +ATOM 603 CA VAL B 90 39.083 49.446 -23.425 1.00 22.40 C +ATOM 604 C VAL B 90 39.867 49.493 -24.732 1.00 21.87 C +ATOM 605 O VAL B 90 40.441 50.525 -25.090 1.00 21.22 O +ATOM 606 CB VAL B 90 37.693 50.131 -23.572 1.00 22.39 C +ATOM 607 CG1 VAL B 90 36.854 49.461 -24.678 1.00 21.86 C +ATOM 608 CG2 VAL B 90 36.949 50.101 -22.255 1.00 21.81 C +ATOM 609 N ILE B 91 39.927 48.353 -25.411 1.00 21.57 N +ATOM 610 CA ILE B 91 40.559 48.273 -26.720 1.00 21.25 C +ATOM 611 C ILE B 91 39.495 47.907 -27.743 1.00 21.30 C +ATOM 612 O ILE B 91 38.930 46.815 -27.699 1.00 20.91 O +ATOM 613 CB ILE B 91 41.751 47.278 -26.749 1.00 21.38 C +ATOM 614 CG1 ILE B 91 42.856 47.780 -25.817 1.00 21.31 C +ATOM 615 CG2 ILE B 91 42.276 47.097 -28.191 1.00 21.37 C +ATOM 616 CD1 ILE B 91 44.046 46.897 -25.742 1.00 23.03 C +ATOM 617 N VAL B 92 39.208 48.851 -28.639 1.00 21.22 N +ATOM 618 CA VAL B 92 38.233 48.647 -29.701 1.00 21.08 C +ATOM 619 C VAL B 92 38.883 47.844 -30.825 1.00 21.31 C +ATOM 620 O VAL B 92 39.921 48.239 -31.371 1.00 21.11 O +ATOM 621 CB VAL B 92 37.668 49.996 -30.252 1.00 21.09 C +ATOM 622 CG1 VAL B 92 36.720 49.764 -31.448 1.00 20.89 C +ATOM 623 CG2 VAL B 92 36.950 50.775 -29.156 1.00 20.75 C +ATOM 624 N HIS B 93 38.286 46.698 -31.136 1.00 21.54 N +ATOM 625 CA HIS B 93 38.720 45.884 -32.259 1.00 21.84 C +ATOM 626 C HIS B 93 37.971 46.369 -33.504 1.00 22.11 C +ATOM 627 O HIS B 93 38.598 46.850 -34.456 1.00 22.04 O +ATOM 628 CB HIS B 93 38.510 44.389 -31.961 1.00 22.07 C +ATOM 629 CG HIS B 93 38.832 43.475 -33.107 1.00 22.65 C +ATOM 630 ND1 HIS B 93 38.053 42.382 -33.424 1.00 23.93 N +ATOM 631 CD2 HIS B 93 39.834 43.497 -34.019 1.00 23.91 C +ATOM 632 CE1 HIS B 93 38.564 41.767 -34.478 1.00 23.75 C +ATOM 633 NE2 HIS B 93 39.646 42.422 -34.857 1.00 23.37 N +ATOM 634 N LYS B 94 36.640 46.266 -33.490 1.00 22.08 N +ATOM 635 CA LYS B 94 35.813 46.734 -34.603 1.00 22.74 C +ATOM 636 C LYS B 94 34.437 47.224 -34.161 1.00 22.44 C +ATOM 637 O LYS B 94 33.798 46.635 -33.287 1.00 22.35 O +ATOM 638 CB LYS B 94 35.639 45.648 -35.687 1.00 22.70 C +ATOM 639 CG LYS B 94 36.944 45.147 -36.300 1.00 23.32 C +ATOM 640 CD LYS B 94 36.752 44.350 -37.571 1.00 24.07 C +ATOM 641 CE LYS B 94 38.078 43.736 -38.033 1.00 26.59 C +ATOM 642 NZ LYS B 94 39.222 44.709 -37.968 1.00 27.65 N +ATOM 643 N TRP B 95 33.997 48.317 -34.771 1.00 22.58 N +ATOM 644 CA TRP B 95 32.632 48.786 -34.608 1.00 22.85 C +ATOM 645 C TRP B 95 31.768 47.987 -35.579 1.00 23.29 C +ATOM 646 O TRP B 95 32.276 47.463 -36.575 1.00 22.96 O +ATOM 647 CB TRP B 95 32.520 50.275 -34.935 1.00 22.38 C +ATOM 648 CG TRP B 95 33.113 51.195 -33.902 1.00 22.31 C +ATOM 649 CD1 TRP B 95 34.399 51.654 -33.851 1.00 21.92 C +ATOM 650 CD2 TRP B 95 32.431 51.784 -32.783 1.00 22.15 C +ATOM 651 NE1 TRP B 95 34.562 52.487 -32.768 1.00 22.26 N +ATOM 652 CE2 TRP B 95 33.371 52.584 -32.095 1.00 22.19 C +ATOM 653 CE3 TRP B 95 31.115 51.709 -32.293 1.00 22.06 C +ATOM 654 CZ2 TRP B 95 33.040 53.307 -30.940 1.00 21.96 C +ATOM 655 CZ3 TRP B 95 30.786 52.428 -31.148 1.00 22.02 C +ATOM 656 CH2 TRP B 95 31.749 53.217 -30.484 1.00 22.06 C +ATOM 657 N GLU B 96 30.474 47.884 -35.286 1.00 23.99 N +ATOM 658 CA GLU B 96 29.539 47.231 -36.201 1.00 24.90 C +ATOM 659 C GLU B 96 29.411 48.067 -37.477 1.00 25.62 C +ATOM 660 O GLU B 96 29.564 49.293 -37.443 1.00 25.72 O +ATOM 661 CB GLU B 96 28.170 47.016 -35.544 1.00 24.83 C +ATOM 662 CG GLU B 96 27.436 48.294 -35.145 1.00 24.76 C +ATOM 663 CD GLU B 96 26.093 48.026 -34.493 1.00 24.85 C +ATOM 664 OE1 GLU B 96 25.610 48.919 -33.761 1.00 24.46 O +ATOM 665 OE2 GLU B 96 25.527 46.928 -34.705 1.00 23.98 O +ATOM 666 N THR B 97 29.134 47.399 -38.596 1.00 26.48 N +ATOM 667 CA THR B 97 29.036 48.075 -39.894 1.00 27.26 C +ATOM 668 C THR B 97 27.623 48.595 -40.222 1.00 27.58 C +ATOM 669 O THR B 97 27.315 48.907 -41.378 1.00 27.95 O +ATOM 670 CB THR B 97 29.612 47.195 -41.038 1.00 27.23 C +ATOM 671 OG1 THR B 97 29.597 47.931 -42.269 1.00 28.24 O +ATOM 672 CG2 THR B 97 28.814 45.901 -41.204 1.00 27.56 C +ATOM 673 N HIS B 98 26.777 48.689 -39.196 1.00 28.05 N +ATOM 674 CA HIS B 98 25.406 49.184 -39.335 1.00 28.41 C +ATOM 675 C HIS B 98 25.397 50.622 -39.854 1.00 28.54 C +ATOM 676 O HIS B 98 26.246 51.433 -39.480 1.00 28.71 O +ATOM 677 CB HIS B 98 24.673 49.100 -37.989 1.00 28.58 C +ATOM 678 CG HIS B 98 23.240 49.532 -38.048 1.00 29.20 C +ATOM 679 ND1 HIS B 98 22.204 48.648 -38.258 1.00 29.53 N +ATOM 680 CD2 HIS B 98 22.671 50.756 -37.926 1.00 29.79 C +ATOM 681 CE1 HIS B 98 21.059 49.307 -38.264 1.00 29.73 C +ATOM 682 NE2 HIS B 98 21.314 50.588 -38.067 1.00 29.81 N +ATOM 683 N PRO B 101 23.949 55.050 -37.272 1.00 28.63 N +ATOM 684 CA PRO B 101 23.845 54.562 -35.900 1.00 28.45 C +ATOM 685 C PRO B 101 22.405 54.224 -35.510 1.00 28.28 C +ATOM 686 O PRO B 101 21.464 54.625 -36.196 1.00 28.18 O +ATOM 687 CB PRO B 101 24.370 55.736 -35.067 1.00 28.43 C +ATOM 688 CG PRO B 101 24.133 56.950 -35.900 1.00 28.66 C +ATOM 689 CD PRO B 101 24.012 56.522 -37.342 1.00 28.75 C +ATOM 690 N ARG B 102 22.253 53.485 -34.413 1.00 27.99 N +ATOM 691 CA ARG B 102 20.943 53.076 -33.913 1.00 27.57 C +ATOM 692 C ARG B 102 20.415 54.152 -32.971 1.00 27.28 C +ATOM 693 O ARG B 102 21.186 54.972 -32.476 1.00 26.92 O +ATOM 694 CB ARG B 102 21.053 51.734 -33.178 1.00 27.58 C +ATOM 695 CG ARG B 102 21.715 50.624 -33.989 1.00 27.64 C +ATOM 696 CD ARG B 102 21.949 49.382 -33.142 1.00 27.53 C +ATOM 697 NE ARG B 102 22.583 48.299 -33.894 1.00 27.11 N +ATOM 698 CZ ARG B 102 21.923 47.395 -34.616 1.00 26.78 C +ATOM 699 NH1 ARG B 102 20.600 47.436 -34.697 1.00 26.24 N +ATOM 700 NH2 ARG B 102 22.590 46.446 -35.263 1.00 26.46 N +ATOM 701 N SER B 103 19.106 54.159 -32.732 1.00 27.02 N +ATOM 702 CA SER B 103 18.506 55.135 -31.820 1.00 26.98 C +ATOM 703 C SER B 103 17.309 54.592 -31.040 1.00 26.83 C +ATOM 704 O SER B 103 16.590 53.711 -31.516 1.00 26.89 O +ATOM 705 CB SER B 103 18.132 56.431 -32.556 1.00 26.95 C +ATOM 706 OG SER B 103 17.183 56.193 -33.577 1.00 27.39 O +ATOM 707 N ILE B 104 17.114 55.130 -29.839 1.00 26.68 N +ATOM 708 CA ILE B 104 16.022 54.727 -28.954 1.00 26.45 C +ATOM 709 C ILE B 104 15.510 55.895 -28.106 1.00 26.37 C +ATOM 710 O ILE B 104 16.295 56.661 -27.540 1.00 26.35 O +ATOM 711 CB ILE B 104 16.434 53.536 -28.029 1.00 26.47 C +ATOM 712 CG1 ILE B 104 15.265 53.127 -27.118 1.00 26.23 C +ATOM 713 CG2 ILE B 104 17.712 53.870 -27.227 1.00 26.39 C +ATOM 714 CD1 ILE B 104 15.580 52.015 -26.134 1.00 26.49 C +ATOM 715 N THR B 105 14.188 56.027 -28.043 1.00 26.35 N +ATOM 716 CA THR B 105 13.537 57.004 -27.176 1.00 26.21 C +ATOM 717 C THR B 105 12.656 56.228 -26.187 1.00 26.18 C +ATOM 718 O THR B 105 11.495 55.933 -26.485 1.00 26.25 O +ATOM 719 CB THR B 105 12.717 58.049 -27.974 1.00 26.16 C +ATOM 720 OG1 THR B 105 13.555 58.670 -28.956 1.00 25.97 O +ATOM 721 CG2 THR B 105 12.157 59.125 -27.045 1.00 26.03 C +ATOM 722 N PRO B 106 13.224 55.869 -25.018 1.00 26.17 N +ATOM 723 CA PRO B 106 12.522 55.120 -23.975 1.00 26.13 C +ATOM 724 C PRO B 106 11.276 55.839 -23.473 1.00 26.15 C +ATOM 725 O PRO B 106 11.335 57.024 -23.147 1.00 26.08 O +ATOM 726 CB PRO B 106 13.566 55.007 -22.854 1.00 26.17 C +ATOM 727 CG PRO B 106 14.578 56.048 -23.147 1.00 26.19 C +ATOM 728 CD PRO B 106 14.616 56.163 -24.629 1.00 26.12 C +ATOM 729 N LEU B 107 10.158 55.117 -23.423 1.00 26.25 N +ATOM 730 CA LEU B 107 8.874 55.688 -23.002 1.00 26.30 C +ATOM 731 C LEU B 107 8.198 54.890 -21.882 1.00 26.31 C +ATOM 732 O LEU B 107 7.060 55.183 -21.505 1.00 26.33 O +ATOM 733 CB LEU B 107 7.929 55.835 -24.206 1.00 26.25 C +ATOM 734 CG LEU B 107 8.343 56.761 -25.359 1.00 26.22 C +ATOM 735 CD1 LEU B 107 7.428 56.564 -26.560 1.00 26.42 C +ATOM 736 CD2 LEU B 107 8.378 58.230 -24.935 1.00 26.17 C +ATOM 737 N GLU B 108 8.903 53.888 -21.357 1.00 26.30 N +ATOM 738 CA GLU B 108 8.391 53.062 -20.257 1.00 26.31 C +ATOM 739 C GLU B 108 9.491 52.655 -19.270 1.00 26.18 C +ATOM 740 O GLU B 108 10.681 52.798 -19.560 1.00 26.16 O +ATOM 741 CB GLU B 108 7.615 51.844 -20.785 1.00 26.33 C +ATOM 742 CG GLU B 108 8.373 50.970 -21.776 1.00 26.41 C +ATOM 743 CD GLU B 108 7.531 49.840 -22.351 1.00 26.52 C +ATOM 744 OE1 GLU B 108 6.345 49.705 -21.971 1.00 27.05 O +ATOM 745 OE2 GLU B 108 8.061 49.083 -23.193 1.00 26.75 O +ATOM 746 N SER B 109 9.077 52.156 -18.105 1.00 26.10 N +ATOM 747 CA SER B 109 9.996 51.789 -17.021 1.00 26.04 C +ATOM 748 C SER B 109 10.973 50.659 -17.357 1.00 25.92 C +ATOM 749 O SER B 109 12.126 50.694 -16.924 1.00 25.88 O +ATOM 750 CB SER B 109 9.218 51.458 -15.741 1.00 26.01 C +ATOM 751 OG SER B 109 8.294 50.407 -15.956 1.00 26.27 O +ATOM 752 N GLU B 110 10.509 49.663 -18.112 1.00 25.80 N +ATOM 753 CA GLU B 110 11.350 48.524 -18.509 1.00 25.63 C +ATOM 754 C GLU B 110 11.197 48.193 -19.994 1.00 25.39 C +ATOM 755 O GLU B 110 10.079 48.021 -20.491 1.00 25.30 O +ATOM 756 CB GLU B 110 11.038 47.285 -17.661 1.00 25.70 C +ATOM 757 CG GLU B 110 11.261 47.458 -16.162 1.00 25.88 C +ATOM 758 CD GLU B 110 11.035 46.176 -15.384 1.00 25.90 C +ATOM 759 OE1 GLU B 110 11.646 45.143 -15.737 1.00 26.32 O +ATOM 760 OE2 GLU B 110 10.258 46.205 -14.407 1.00 26.07 O +ATOM 761 N ILE B 111 12.330 48.106 -20.692 1.00 25.08 N +ATOM 762 CA ILE B 111 12.360 47.824 -22.131 1.00 24.89 C +ATOM 763 C ILE B 111 13.451 46.806 -22.469 1.00 24.75 C +ATOM 764 O ILE B 111 14.541 46.832 -21.888 1.00 24.70 O +ATOM 765 CB ILE B 111 12.630 49.111 -22.969 1.00 24.94 C +ATOM 766 CG1 ILE B 111 11.816 50.299 -22.451 1.00 24.97 C +ATOM 767 CG2 ILE B 111 12.355 48.866 -24.459 1.00 24.95 C +ATOM 768 CD1 ILE B 111 12.188 51.621 -23.075 1.00 24.87 C +ATOM 769 N ILE B 112 13.147 45.915 -23.412 1.00 24.51 N +ATOM 770 CA ILE B 112 14.107 44.925 -23.902 1.00 24.31 C +ATOM 771 C ILE B 112 14.340 45.133 -25.403 1.00 24.13 C +ATOM 772 O ILE B 112 13.412 45.011 -26.209 1.00 24.16 O +ATOM 773 CB ILE B 112 13.639 43.476 -23.613 1.00 24.34 C +ATOM 774 CG1 ILE B 112 13.468 43.262 -22.103 1.00 24.36 C +ATOM 775 CG2 ILE B 112 14.623 42.461 -24.206 1.00 24.33 C +ATOM 776 CD1 ILE B 112 12.716 41.997 -21.726 1.00 24.25 C +ATOM 777 N ILE B 113 15.581 45.459 -25.759 1.00 23.89 N +ATOM 778 CA ILE B 113 15.967 45.712 -27.149 1.00 23.69 C +ATOM 779 C ILE B 113 16.809 44.567 -27.709 1.00 23.64 C +ATOM 780 O ILE B 113 17.874 44.249 -27.174 1.00 23.58 O +ATOM 781 CB ILE B 113 16.759 47.050 -27.296 1.00 23.67 C +ATOM 782 CG1 ILE B 113 15.950 48.249 -26.769 1.00 23.57 C +ATOM 783 CG2 ILE B 113 17.226 47.264 -28.746 1.00 23.55 C +ATOM 784 CD1 ILE B 113 14.670 48.581 -27.545 1.00 23.43 C +ATOM 785 N ASP B 114 16.320 43.952 -28.782 1.00 23.45 N +ATOM 786 CA ASP B 114 17.047 42.894 -29.468 1.00 23.41 C +ATOM 787 C ASP B 114 17.464 43.427 -30.832 1.00 23.48 C +ATOM 788 O ASP B 114 16.634 43.581 -31.728 1.00 23.46 O +ATOM 789 CB ASP B 114 16.172 41.642 -29.612 1.00 23.33 C +ATOM 790 CG ASP B 114 16.966 40.392 -29.990 1.00 23.07 C +ATOM 791 OD1 ASP B 114 18.135 40.491 -30.424 1.00 22.46 O +ATOM 792 OD2 ASP B 114 16.401 39.289 -29.851 1.00 23.44 O +ATOM 793 N ASP B 115 18.753 43.724 -30.976 1.00 23.58 N +ATOM 794 CA ASP B 115 19.284 44.264 -32.230 1.00 23.86 C +ATOM 795 C ASP B 115 19.822 43.185 -33.181 1.00 24.14 C +ATOM 796 O ASP B 115 20.550 43.485 -34.131 1.00 24.14 O +ATOM 797 CB ASP B 115 20.320 45.366 -31.955 1.00 23.66 C +ATOM 798 CG ASP B 115 19.682 46.661 -31.461 1.00 23.45 C +ATOM 799 OD1 ASP B 115 18.585 47.024 -31.940 1.00 23.43 O +ATOM 800 OD2 ASP B 115 20.282 47.329 -30.598 1.00 22.63 O +ATOM 801 N GLY B 116 19.445 41.936 -32.917 1.00 24.60 N +ATOM 802 CA GLY B 116 19.770 40.806 -33.785 1.00 25.08 C +ATOM 803 C GLY B 116 21.222 40.378 -33.811 1.00 25.43 C +ATOM 804 O GLY B 116 21.792 40.019 -32.781 1.00 25.32 O +ATOM 805 N GLN B 117 21.810 40.409 -35.005 1.00 25.86 N +ATOM 806 CA GLN B 117 23.190 39.980 -35.216 1.00 26.32 C +ATOM 807 C GLN B 117 24.121 41.165 -35.443 1.00 26.66 C +ATOM 808 O GLN B 117 23.742 42.153 -36.075 1.00 26.78 O +ATOM 809 CB GLN B 117 23.276 39.008 -36.401 1.00 26.36 C +ATOM 810 CG GLN B 117 22.508 37.695 -36.213 1.00 26.56 C +ATOM 811 CD GLN B 117 23.150 36.752 -35.199 1.00 26.89 C +ATOM 812 OE1 GLN B 117 24.368 36.747 -35.012 1.00 26.58 O +ATOM 813 NE2 GLN B 117 22.326 35.933 -34.555 1.00 27.20 N +ATOM 814 N PHE B 118 25.340 41.045 -34.922 1.00 26.96 N +ATOM 815 CA PHE B 118 26.367 42.077 -35.034 1.00 27.44 C +ATOM 816 C PHE B 118 26.884 42.199 -36.469 1.00 27.90 C +ATOM 817 O PHE B 118 27.350 41.220 -37.061 1.00 27.85 O +ATOM 818 CB PHE B 118 27.518 41.765 -34.065 1.00 27.09 C +ATOM 819 CG PHE B 118 28.569 42.847 -33.970 1.00 26.86 C +ATOM 820 CD1 PHE B 118 28.484 43.835 -32.992 1.00 26.11 C +ATOM 821 CD2 PHE B 118 29.666 42.854 -34.830 1.00 26.49 C +ATOM 822 CE1 PHE B 118 29.459 44.817 -32.886 1.00 25.76 C +ATOM 823 CE2 PHE B 118 30.643 43.839 -34.732 1.00 26.24 C +ATOM 824 CZ PHE B 118 30.540 44.818 -33.758 1.00 25.92 C +ATOM 825 N GLY B 119 26.790 43.408 -37.017 1.00 28.67 N +ATOM 826 CA GLY B 119 27.298 43.698 -38.355 1.00 29.38 C +ATOM 827 C GLY B 119 28.789 43.984 -38.315 1.00 29.94 C +ATOM 828 O GLY B 119 29.557 43.463 -39.131 1.00 30.63 O Added: SwiftApps/modFTdock/input/indata/2z0b-5.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2z0b-5.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2z0b-5.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,815 @@ +ATOM 1 N PRO E 8 13.135 70.910 -9.323 1.00 23.55 N +ATOM 2 CA PRO E 8 14.122 71.990 -9.349 1.00 23.53 C +ATOM 3 C PRO E 8 13.632 73.235 -8.603 1.00 23.49 C +ATOM 4 O PRO E 8 12.680 73.890 -9.036 1.00 23.43 O +ATOM 5 CB PRO E 8 14.289 72.284 -10.847 1.00 23.57 C +ATOM 6 CG PRO E 8 13.802 71.050 -11.542 1.00 23.61 C +ATOM 7 CD PRO E 8 12.712 70.507 -10.675 1.00 23.54 C +ATOM 8 N SER E 9 14.285 73.546 -7.487 1.00 23.46 N +ATOM 9 CA SER E 9 13.928 74.701 -6.667 1.00 23.38 C +ATOM 10 C SER E 9 15.074 75.709 -6.610 1.00 23.30 C +ATOM 11 O SER E 9 16.166 75.392 -6.134 1.00 23.22 O +ATOM 12 CB SER E 9 13.543 74.252 -5.255 1.00 23.42 C +ATOM 13 OG SER E 9 13.168 75.356 -4.447 1.00 23.38 O +ATOM 14 N GLN E 10 14.815 76.918 -7.102 1.00 23.17 N +ATOM 15 CA GLN E 10 15.814 77.988 -7.102 1.00 23.18 C +ATOM 16 C GLN E 10 15.753 78.741 -5.777 1.00 22.90 C +ATOM 17 O GLN E 10 14.810 79.495 -5.522 1.00 22.94 O +ATOM 18 CB GLN E 10 15.601 78.937 -8.286 1.00 23.20 C +ATOM 19 CG GLN E 10 15.644 78.253 -9.651 1.00 23.49 C +ATOM 20 CD GLN E 10 15.466 79.222 -10.806 1.00 23.58 C +ATOM 21 OE1 GLN E 10 15.997 80.335 -10.792 1.00 24.24 O +ATOM 22 NE2 GLN E 10 14.722 78.797 -11.822 1.00 24.14 N +ATOM 23 N VAL E 11 16.764 78.527 -4.940 1.00 22.61 N +ATOM 24 CA VAL E 11 16.792 79.101 -3.596 1.00 22.36 C +ATOM 25 C VAL E 11 17.832 80.211 -3.454 1.00 22.29 C +ATOM 26 O VAL E 11 19.018 80.010 -3.734 1.00 22.23 O +ATOM 27 CB VAL E 11 17.034 78.011 -2.513 1.00 22.33 C +ATOM 28 CG1 VAL E 11 16.865 78.596 -1.116 1.00 22.23 C +ATOM 29 CG2 VAL E 11 16.078 76.839 -2.703 1.00 22.13 C +ATOM 30 N ALA E 12 17.371 81.379 -3.016 1.00 22.07 N +ATOM 31 CA ALA E 12 18.242 82.517 -2.769 1.00 22.02 C +ATOM 32 C ALA E 12 18.545 82.623 -1.276 1.00 22.02 C +ATOM 33 O ALA E 12 17.680 82.999 -0.480 1.00 22.00 O +ATOM 34 CB ALA E 12 17.604 83.804 -3.288 1.00 22.04 C +ATOM 35 N PHE E 13 19.772 82.269 -0.903 1.00 22.02 N +ATOM 36 CA PHE E 13 20.218 82.341 0.487 1.00 22.01 C +ATOM 37 C PHE E 13 20.825 83.710 0.761 1.00 22.17 C +ATOM 38 O PHE E 13 21.640 84.197 -0.025 1.00 22.27 O +ATOM 39 CB PHE E 13 21.248 81.253 0.780 1.00 21.86 C +ATOM 40 CG PHE E 13 20.704 79.856 0.690 1.00 21.59 C +ATOM 41 CD1 PHE E 13 20.102 79.259 1.793 1.00 21.29 C +ATOM 42 CD2 PHE E 13 20.815 79.127 -0.492 1.00 21.51 C +ATOM 43 CE1 PHE E 13 19.606 77.961 1.717 1.00 21.20 C +ATOM 44 CE2 PHE E 13 20.327 77.831 -0.576 1.00 21.34 C +ATOM 45 CZ PHE E 13 19.720 77.246 0.531 1.00 21.43 C +ATOM 46 N GLU E 14 20.439 84.316 1.882 1.00 22.22 N +ATOM 47 CA GLU E 14 20.888 85.667 2.228 1.00 22.36 C +ATOM 48 C GLU E 14 21.383 85.796 3.667 1.00 22.17 C +ATOM 49 O GLU E 14 20.828 85.184 4.581 1.00 22.05 O +ATOM 50 CB GLU E 14 19.766 86.682 1.971 1.00 22.34 C +ATOM 51 CG GLU E 14 19.351 86.794 0.506 1.00 22.66 C +ATOM 52 CD GLU E 14 18.131 87.671 0.277 1.00 22.94 C +ATOM 53 OE1 GLU E 14 17.735 88.435 1.189 1.00 23.41 O +ATOM 54 OE2 GLU E 14 17.568 87.595 -0.836 1.00 23.92 O +ATOM 55 N ILE E 15 22.434 86.594 3.849 1.00 22.13 N +ATOM 56 CA ILE E 15 22.995 86.882 5.171 1.00 22.13 C +ATOM 57 C ILE E 15 23.740 88.224 5.168 1.00 22.14 C +ATOM 58 O ILE E 15 24.175 88.700 4.114 1.00 22.14 O +ATOM 59 CB ILE E 15 23.904 85.722 5.697 1.00 22.08 C +ATOM 60 CG1 ILE E 15 23.994 85.757 7.230 1.00 22.20 C +ATOM 61 CG2 ILE E 15 25.285 85.733 5.013 1.00 22.24 C +ATOM 62 CD1 ILE E 15 24.572 84.509 7.860 1.00 22.13 C +ATOM 63 N ARG E 16 23.862 88.827 6.351 1.00 22.08 N +ATOM 64 CA ARG E 16 24.540 90.109 6.536 1.00 22.07 C +ATOM 65 C ARG E 16 25.675 89.956 7.542 1.00 21.95 C +ATOM 66 O ARG E 16 25.646 89.056 8.382 1.00 21.96 O +ATOM 67 CB ARG E 16 23.557 91.159 7.061 1.00 22.27 C +ATOM 68 CG ARG E 16 22.333 91.401 6.196 1.00 22.77 C +ATOM 69 CD ARG E 16 21.269 92.130 6.997 1.00 24.24 C +ATOM 70 NE ARG E 16 19.975 92.158 6.317 1.00 25.17 N +ATOM 71 CZ ARG E 16 19.099 91.155 6.318 1.00 25.40 C +ATOM 72 NH1 ARG E 16 19.371 90.018 6.949 1.00 25.60 N +ATOM 73 NH2 ARG E 16 17.948 91.286 5.673 1.00 25.46 N +ATOM 74 N GLY E 17 26.665 90.842 7.464 1.00 21.83 N +ATOM 75 CA GLY E 17 27.788 90.817 8.399 1.00 21.77 C +ATOM 76 C GLY E 17 28.982 91.661 7.993 1.00 21.78 C +ATOM 77 O GLY E 17 29.075 92.121 6.851 1.00 21.60 O +ATOM 78 N THR E 18 29.890 91.863 8.947 1.00 21.83 N +ATOM 79 CA THR E 18 31.113 92.640 8.740 1.00 21.75 C +ATOM 80 C THR E 18 32.194 91.748 8.133 1.00 21.46 C +ATOM 81 O THR E 18 32.319 90.575 8.500 1.00 21.50 O +ATOM 82 CB THR E 18 31.624 93.251 10.069 1.00 21.77 C +ATOM 83 OG1 THR E 18 30.548 93.921 10.734 1.00 22.24 O +ATOM 84 CG2 THR E 18 32.759 94.249 9.822 1.00 22.06 C +ATOM 85 N LEU E 19 32.968 92.310 7.206 1.00 21.14 N +ATOM 86 CA LEU E 19 34.021 91.568 6.513 1.00 20.85 C +ATOM 87 C LEU E 19 35.311 92.372 6.354 1.00 20.54 C +ATOM 88 O LEU E 19 35.291 93.601 6.334 1.00 20.36 O +ATOM 89 CB LEU E 19 33.525 91.101 5.135 1.00 20.80 C +ATOM 90 CG LEU E 19 32.449 90.009 5.054 1.00 21.10 C +ATOM 91 CD1 LEU E 19 31.851 89.939 3.664 1.00 20.93 C +ATOM 92 CD2 LEU E 19 32.997 88.653 5.451 1.00 21.38 C +ATOM 93 N LEU E 20 36.428 91.658 6.243 1.00 20.18 N +ATOM 94 CA LEU E 20 37.733 92.263 5.993 1.00 19.98 C +ATOM 95 C LEU E 20 37.861 92.608 4.503 1.00 19.82 C +ATOM 96 O LEU E 20 37.045 92.153 3.699 1.00 19.73 O +ATOM 97 CB LEU E 20 38.848 91.302 6.417 1.00 19.98 C +ATOM 98 CG LEU E 20 39.064 91.045 7.911 1.00 20.03 C +ATOM 99 CD1 LEU E 20 39.811 89.735 8.128 1.00 19.76 C +ATOM 100 CD2 LEU E 20 39.785 92.211 8.593 1.00 20.43 C +ATOM 101 N PRO E 21 38.859 93.443 4.129 1.00 19.79 N +ATOM 102 CA PRO E 21 39.054 93.736 2.704 1.00 19.53 C +ATOM 103 C PRO E 21 39.190 92.467 1.858 1.00 19.30 C +ATOM 104 O PRO E 21 39.995 91.588 2.177 1.00 19.40 O +ATOM 105 CB PRO E 21 40.360 94.539 2.686 1.00 19.58 C +ATOM 106 CG PRO E 21 40.417 95.187 4.022 1.00 19.60 C +ATOM 107 CD PRO E 21 39.820 94.183 4.973 1.00 19.70 C +ATOM 108 N GLY E 22 38.376 92.371 0.809 1.00 18.95 N +ATOM 109 CA GLY E 22 38.407 91.236 -0.109 1.00 18.55 C +ATOM 110 C GLY E 22 37.729 89.960 0.368 1.00 18.28 C +ATOM 111 O GLY E 22 37.573 89.010 -0.406 1.00 18.21 O +ATOM 112 N GLU E 23 37.328 89.935 1.638 1.00 18.18 N +ATOM 113 CA GLU E 23 36.665 88.776 2.232 1.00 17.97 C +ATOM 114 C GLU E 23 35.199 88.715 1.802 1.00 18.07 C +ATOM 115 O GLU E 23 34.567 89.747 1.570 1.00 18.01 O +ATOM 116 CB GLU E 23 36.772 88.834 3.763 1.00 18.09 C +ATOM 117 CG GLU E 23 36.488 87.518 4.476 1.00 17.13 C +ATOM 118 CD GLU E 23 36.643 87.608 5.984 1.00 17.89 C +ATOM 119 OE1 GLU E 23 36.551 88.723 6.549 1.00 17.08 O +ATOM 120 OE2 GLU E 23 36.851 86.550 6.608 1.00 17.99 O +ATOM 121 N VAL E 24 34.674 87.499 1.680 1.00 18.24 N +ATOM 122 CA VAL E 24 33.284 87.284 1.285 1.00 18.21 C +ATOM 123 C VAL E 24 32.622 86.255 2.201 1.00 18.61 C +ATOM 124 O VAL E 24 33.306 85.560 2.961 1.00 18.40 O +ATOM 125 CB VAL E 24 33.162 86.803 -0.194 1.00 18.19 C +ATOM 126 CG1 VAL E 24 33.843 87.777 -1.143 1.00 17.87 C +ATOM 127 CG2 VAL E 24 33.724 85.383 -0.375 1.00 17.19 C +ATOM 128 N PHE E 25 31.294 86.182 2.137 1.00 18.89 N +ATOM 129 CA PHE E 25 30.548 85.117 2.801 1.00 19.03 C +ATOM 130 C PHE E 25 30.329 83.989 1.800 1.00 19.28 C +ATOM 131 O PHE E 25 30.238 84.229 0.589 1.00 19.14 O +ATOM 132 CB PHE E 25 29.201 85.607 3.339 1.00 18.94 C +ATOM 133 CG PHE E 25 29.311 86.516 4.530 1.00 18.95 C +ATOM 134 CD1 PHE E 25 29.872 86.063 5.722 1.00 18.71 C +ATOM 135 CD2 PHE E 25 28.831 87.822 4.470 1.00 18.81 C +ATOM 136 CE1 PHE E 25 29.974 86.907 6.831 1.00 18.68 C +ATOM 137 CE2 PHE E 25 28.918 88.669 5.575 1.00 18.79 C +ATOM 138 CZ PHE E 25 29.492 88.208 6.759 1.00 18.68 C +ATOM 139 N ALA E 26 30.249 82.760 2.301 1.00 19.52 N +ATOM 140 CA ALA E 26 30.036 81.605 1.441 1.00 19.67 C +ATOM 141 C ALA E 26 29.065 80.637 2.089 1.00 19.82 C +ATOM 142 O ALA E 26 28.907 80.627 3.315 1.00 20.07 O +ATOM 143 CB ALA E 26 31.363 80.906 1.129 1.00 19.63 C +ATOM 144 N ILE E 27 28.400 79.843 1.258 1.00 19.90 N +ATOM 145 CA ILE E 27 27.488 78.811 1.746 1.00 20.02 C +ATOM 146 C ILE E 27 28.029 77.432 1.381 1.00 19.96 C +ATOM 147 O ILE E 27 28.451 77.191 0.249 1.00 20.03 O +ATOM 148 CB ILE E 27 26.026 79.027 1.250 1.00 20.08 C +ATOM 149 CG1 ILE E 27 25.073 78.006 1.887 1.00 19.96 C +ATOM 150 CG2 ILE E 27 25.957 79.028 -0.278 1.00 19.87 C +ATOM 151 CD1 ILE E 27 23.611 78.304 1.656 1.00 19.79 C +ATOM 152 N CYS E 28 28.038 76.538 2.363 1.00 19.95 N +ATOM 153 CA CYS E 28 28.543 75.197 2.161 1.00 19.94 C +ATOM 154 C CYS E 28 27.625 74.214 2.894 1.00 19.95 C +ATOM 155 O CYS E 28 27.210 74.473 4.025 1.00 19.95 O +ATOM 156 CB CYS E 28 29.983 75.116 2.656 1.00 20.01 C +ATOM 157 SG CYS E 28 30.853 73.633 2.168 1.00 19.77 S +ATOM 158 N GLY E 29 27.292 73.101 2.245 1.00 19.92 N +ATOM 159 CA GLY E 29 26.319 72.165 2.813 1.00 20.22 C +ATOM 160 C GLY E 29 26.297 70.759 2.250 1.00 20.25 C +ATOM 161 O GLY E 29 27.187 70.366 1.495 1.00 20.55 O +ATOM 162 N SER E 30 25.240 70.028 2.596 1.00 20.40 N +ATOM 163 CA SER E 30 25.126 68.582 2.362 1.00 20.44 C +ATOM 164 C SER E 30 24.589 68.083 1.014 1.00 20.58 C +ATOM 165 O SER E 30 23.892 67.066 0.974 1.00 20.90 O +ATOM 166 CB SER E 30 24.280 67.957 3.476 1.00 20.27 C +ATOM 167 OG SER E 30 22.928 68.357 3.347 1.00 20.11 O +ATOM 168 N CYS E 31 24.893 68.780 -0.076 1.00 20.73 N +ATOM 169 CA CYS E 31 24.545 68.281 -1.416 1.00 20.77 C +ATOM 170 C CYS E 31 25.567 68.739 -2.461 1.00 20.55 C +ATOM 171 O CYS E 31 26.485 69.502 -2.138 1.00 20.34 O +ATOM 172 CB CYS E 31 23.101 68.639 -1.811 1.00 20.89 C +ATOM 173 SG CYS E 31 22.731 70.392 -1.939 1.00 22.12 S +ATOM 174 N ASP E 32 25.420 68.256 -3.696 1.00 20.33 N +ATOM 175 CA ASP E 32 26.320 68.620 -4.801 1.00 20.27 C +ATOM 176 C ASP E 32 26.398 70.127 -5.035 1.00 19.84 C +ATOM 177 O ASP E 32 27.483 70.665 -5.246 1.00 19.84 O +ATOM 178 CB ASP E 32 25.902 67.924 -6.106 1.00 20.38 C +ATOM 179 CG ASP E 32 26.187 66.429 -6.102 1.00 21.18 C +ATOM 180 OD1 ASP E 32 26.931 65.955 -5.216 1.00 21.79 O +ATOM 181 OD2 ASP E 32 25.673 65.726 -7.002 1.00 21.34 O +ATOM 182 N ALA E 33 25.242 70.791 -5.000 1.00 19.66 N +ATOM 183 CA ALA E 33 25.140 72.236 -5.226 1.00 19.22 C +ATOM 184 C ALA E 33 25.825 73.063 -4.135 1.00 19.08 C +ATOM 185 O ALA E 33 26.309 74.172 -4.394 1.00 19.04 O +ATOM 186 CB ALA E 33 23.681 72.642 -5.362 1.00 19.22 C +ATOM 187 N LEU E 34 25.860 72.523 -2.920 1.00 18.55 N +ATOM 188 CA LEU E 34 26.499 73.203 -1.794 1.00 18.26 C +ATOM 189 C LEU E 34 27.899 72.659 -1.493 1.00 18.05 C +ATOM 190 O LEU E 34 28.535 73.050 -0.509 1.00 18.23 O +ATOM 191 CB LEU E 34 25.589 73.179 -0.561 1.00 18.30 C +ATOM 192 CG LEU E 34 24.242 73.895 -0.708 1.00 18.56 C +ATOM 193 CD1 LEU E 34 23.460 73.843 0.598 1.00 18.70 C +ATOM 194 CD2 LEU E 34 24.427 75.346 -1.152 1.00 18.44 C +ATOM 195 N GLY E 35 28.364 71.757 -2.356 1.00 17.84 N +ATOM 196 CA GLY E 35 29.718 71.221 -2.299 1.00 17.64 C +ATOM 197 C GLY E 35 29.992 70.057 -1.372 1.00 17.70 C +ATOM 198 O GLY E 35 31.154 69.734 -1.133 1.00 17.48 O +ATOM 199 N ASN E 36 28.934 69.423 -0.856 1.00 17.71 N +ATOM 200 CA ASN E 36 29.056 68.288 0.068 1.00 17.56 C +ATOM 201 C ASN E 36 30.045 68.547 1.207 1.00 17.38 C +ATOM 202 O ASN E 36 30.959 67.753 1.437 1.00 17.17 O +ATOM 203 CB ASN E 36 29.431 67.005 -0.684 1.00 17.75 C +ATOM 204 CG ASN E 36 28.343 66.540 -1.626 1.00 18.38 C +ATOM 205 OD1 ASN E 36 28.534 66.515 -2.844 1.00 20.57 O +ATOM 206 ND2 ASN E 36 27.197 66.172 -1.072 1.00 18.44 N +ATOM 207 N TRP E 37 29.859 69.681 1.888 1.00 17.25 N +ATOM 208 CA TRP E 37 30.690 70.109 3.023 1.00 17.10 C +ATOM 209 C TRP E 37 32.177 70.363 2.714 1.00 17.17 C +ATOM 210 O TRP E 37 32.966 70.597 3.627 1.00 17.01 O +ATOM 211 CB TRP E 37 30.530 69.156 4.222 1.00 17.13 C +ATOM 212 CG TRP E 37 29.160 69.175 4.855 1.00 17.01 C +ATOM 213 CD1 TRP E 37 28.255 68.146 4.895 1.00 17.38 C +ATOM 214 CD2 TRP E 37 28.546 70.274 5.546 1.00 17.79 C +ATOM 215 NE1 TRP E 37 27.120 68.537 5.572 1.00 17.18 N +ATOM 216 CE2 TRP E 37 27.271 69.837 5.981 1.00 17.56 C +ATOM 217 CE3 TRP E 37 28.950 71.586 5.843 1.00 18.46 C +ATOM 218 CZ2 TRP E 37 26.395 70.668 6.691 1.00 17.71 C +ATOM 219 CZ3 TRP E 37 28.076 72.411 6.556 1.00 17.88 C +ATOM 220 CH2 TRP E 37 26.815 71.948 6.968 1.00 17.10 C +ATOM 221 N ASN E 38 32.545 70.322 1.432 1.00 17.02 N +ATOM 222 CA ASN E 38 33.898 70.629 0.982 1.00 17.08 C +ATOM 223 C ASN E 38 33.972 72.148 0.790 1.00 17.20 C +ATOM 224 O ASN E 38 33.335 72.685 -0.120 1.00 17.36 O +ATOM 225 CB ASN E 38 34.208 69.869 -0.328 1.00 17.27 C +ATOM 226 CG ASN E 38 35.630 70.123 -0.867 1.00 16.81 C +ATOM 227 OD1 ASN E 38 36.385 70.945 -0.347 1.00 16.24 O +ATOM 228 ND2 ASN E 38 35.991 69.393 -1.915 1.00 16.53 N +ATOM 229 N PRO E 39 34.708 72.852 1.676 1.00 17.09 N +ATOM 230 CA PRO E 39 34.819 74.306 1.553 1.00 17.49 C +ATOM 231 C PRO E 39 35.369 74.774 0.189 1.00 17.71 C +ATOM 232 O PRO E 39 35.038 75.872 -0.256 1.00 17.90 O +ATOM 233 CB PRO E 39 35.749 74.704 2.721 1.00 17.48 C +ATOM 234 CG PRO E 39 36.368 73.443 3.199 1.00 17.76 C +ATOM 235 CD PRO E 39 35.437 72.333 2.850 1.00 17.13 C +ATOM 236 N GLN E 40 36.175 73.935 -0.465 1.00 18.00 N +ATOM 237 CA GLN E 40 36.702 74.228 -1.800 1.00 18.41 C +ATOM 238 C GLN E 40 35.591 74.284 -2.847 1.00 18.74 C +ATOM 239 O GLN E 40 35.744 74.940 -3.876 1.00 19.14 O +ATOM 240 CB GLN E 40 37.786 73.214 -2.216 1.00 18.40 C +ATOM 241 CG GLN E 40 39.030 73.223 -1.316 1.00 17.84 C +ATOM 242 CD GLN E 40 39.646 74.615 -1.182 1.00 18.08 C +ATOM 243 OE1 GLN E 40 39.891 75.296 -2.176 1.00 17.31 O +ATOM 244 NE2 GLN E 40 39.883 75.045 0.058 1.00 16.83 N +ATOM 245 N ASN E 41 34.479 73.597 -2.578 1.00 18.67 N +ATOM 246 CA ASN E 41 33.325 73.595 -3.484 1.00 18.79 C +ATOM 247 C ASN E 41 32.151 74.439 -2.981 1.00 18.99 C +ATOM 248 O ASN E 41 31.027 74.318 -3.480 1.00 19.12 O +ATOM 249 CB ASN E 41 32.872 72.156 -3.783 1.00 18.79 C +ATOM 250 CG ASN E 41 33.870 71.387 -4.631 1.00 18.62 C +ATOM 251 OD1 ASN E 41 33.843 70.159 -4.666 1.00 20.15 O +ATOM 252 ND2 ASN E 41 34.743 72.101 -5.329 1.00 17.84 N +ATOM 253 N ALA E 42 32.421 75.299 -2.001 1.00 18.86 N +ATOM 254 CA ALA E 42 31.405 76.163 -1.440 1.00 19.17 C +ATOM 255 C ALA E 42 31.011 77.227 -2.457 1.00 19.58 C +ATOM 256 O ALA E 42 31.730 77.472 -3.430 1.00 19.48 O +ATOM 257 CB ALA E 42 31.901 76.799 -0.151 1.00 19.19 C +ATOM 258 N VAL E 43 29.862 77.852 -2.234 1.00 19.90 N +ATOM 259 CA VAL E 43 29.361 78.870 -3.143 1.00 20.12 C +ATOM 260 C VAL E 43 29.516 80.243 -2.499 1.00 20.53 C +ATOM 261 O VAL E 43 28.981 80.494 -1.419 1.00 20.32 O +ATOM 262 CB VAL E 43 27.881 78.607 -3.527 1.00 20.29 C +ATOM 263 CG1 VAL E 43 27.375 79.656 -4.518 1.00 20.14 C +ATOM 264 CG2 VAL E 43 27.716 77.211 -4.102 1.00 19.34 C +ATOM 265 N ALA E 44 30.272 81.120 -3.156 1.00 20.88 N +ATOM 266 CA ALA E 44 30.449 82.486 -2.672 1.00 21.40 C +ATOM 267 C ALA E 44 29.177 83.295 -2.879 1.00 21.94 C +ATOM 268 O ALA E 44 28.565 83.243 -3.951 1.00 21.80 O +ATOM 269 CB ALA E 44 31.616 83.168 -3.384 1.00 21.33 C +ATOM 270 N LEU E 45 28.783 84.034 -1.846 1.00 22.47 N +ATOM 271 CA LEU E 45 27.662 84.952 -1.950 1.00 23.49 C +ATOM 272 C LEU E 45 28.146 86.216 -2.660 1.00 24.03 C +ATOM 273 O LEU E 45 29.344 86.511 -2.667 1.00 23.91 O +ATOM 274 CB LEU E 45 27.081 85.277 -0.566 1.00 23.44 C +ATOM 275 CG LEU E 45 26.132 84.269 0.107 1.00 23.37 C +ATOM 276 CD1 LEU E 45 26.740 82.885 0.286 1.00 23.21 C +ATOM 277 CD2 LEU E 45 25.659 84.798 1.450 1.00 23.35 C +ATOM 278 N LEU E 46 27.216 86.940 -3.274 1.00 24.95 N +ATOM 279 CA LEU E 46 27.539 88.167 -3.996 1.00 25.81 C +ATOM 280 C LEU E 46 27.025 89.384 -3.237 1.00 26.33 C +ATOM 281 O LEU E 46 25.968 89.309 -2.607 1.00 26.37 O +ATOM 282 CB LEU E 46 26.921 88.150 -5.402 1.00 25.92 C +ATOM 283 CG LEU E 46 27.041 86.918 -6.309 1.00 26.40 C +ATOM 284 CD1 LEU E 46 26.421 87.221 -7.669 1.00 26.76 C +ATOM 285 CD2 LEU E 46 28.484 86.447 -6.474 1.00 27.46 C +ATOM 286 N PRO E 47 27.771 90.510 -3.287 1.00 26.90 N +ATOM 287 CA PRO E 47 27.287 91.747 -2.673 1.00 27.35 C +ATOM 288 C PRO E 47 26.084 92.289 -3.446 1.00 27.83 C +ATOM 289 O PRO E 47 26.164 92.479 -4.665 1.00 27.91 O +ATOM 290 CB PRO E 47 28.478 92.710 -2.807 1.00 27.31 C +ATOM 291 CG PRO E 47 29.647 91.870 -3.182 1.00 27.12 C +ATOM 292 CD PRO E 47 29.098 90.688 -3.905 1.00 26.87 C +ATOM 293 N GLU E 48 24.980 92.517 -2.740 1.00 28.30 N +ATOM 294 CA GLU E 48 23.749 93.009 -3.358 1.00 28.98 C +ATOM 295 C GLU E 48 23.080 94.057 -2.464 1.00 29.11 C +ATOM 296 O GLU E 48 23.106 93.947 -1.236 1.00 29.16 O +ATOM 297 CB GLU E 48 22.812 91.829 -3.663 1.00 29.06 C +ATOM 298 CG GLU E 48 21.587 92.152 -4.532 1.00 29.70 C +ATOM 299 CD GLU E 48 20.368 92.578 -3.725 1.00 30.49 C +ATOM 300 OE1 GLU E 48 19.620 93.463 -4.195 1.00 30.74 O +ATOM 301 OE2 GLU E 48 20.154 92.028 -2.622 1.00 30.88 O +ATOM 302 N ASN E 49 22.494 95.078 -3.086 1.00 29.48 N +ATOM 303 CA ASN E 49 21.830 96.153 -2.346 1.00 29.66 C +ATOM 304 C ASN E 49 20.314 95.973 -2.237 1.00 29.78 C +ATOM 305 O ASN E 49 19.556 96.361 -3.129 1.00 29.98 O +ATOM 306 CB ASN E 49 22.181 97.531 -2.933 1.00 29.73 C +ATOM 307 CG ASN E 49 23.613 97.963 -2.623 1.00 29.82 C +ATOM 308 OD1 ASN E 49 23.841 99.082 -2.163 1.00 30.01 O +ATOM 309 ND2 ASN E 49 24.578 97.081 -2.870 1.00 29.77 N +ATOM 310 N SER E 54 25.664 94.462 8.325 1.00 40.11 N +ATOM 311 CA SER E 54 26.346 95.574 7.669 1.00 40.16 C +ATOM 312 C SER E 54 25.840 95.771 6.237 1.00 40.17 C +ATOM 313 O SER E 54 25.311 96.835 5.897 1.00 40.25 O +ATOM 314 CB SER E 54 27.866 95.356 7.684 1.00 40.11 C +ATOM 315 OG SER E 54 28.556 96.441 7.087 1.00 40.01 O +ATOM 324 N LEU E 56 24.072 93.384 2.689 1.00 37.64 N +ATOM 325 CA LEU E 56 23.394 92.154 2.284 1.00 36.38 C +ATOM 326 C LEU E 56 24.188 91.369 1.238 1.00 35.56 C +ATOM 327 O LEU E 56 24.654 91.926 0.240 1.00 35.43 O +ATOM 328 CB LEU E 56 21.979 92.456 1.769 1.00 36.40 C +ATOM 329 CG LEU E 56 21.032 91.290 1.447 1.00 36.12 C +ATOM 330 CD1 LEU E 56 20.642 90.508 2.698 1.00 35.71 C +ATOM 331 CD2 LEU E 56 19.789 91.803 0.741 1.00 36.33 C +ATOM 332 N TRP E 57 24.335 90.071 1.490 1.00 34.46 N +ATOM 333 CA TRP E 57 25.007 89.151 0.577 1.00 33.43 C +ATOM 334 C TRP E 57 24.027 88.060 0.157 1.00 32.82 C +ATOM 335 O TRP E 57 23.237 87.585 0.977 1.00 32.69 O +ATOM 336 CB TRP E 57 26.242 88.540 1.243 1.00 33.22 C +ATOM 337 CG TRP E 57 27.370 89.513 1.405 1.00 33.09 C +ATOM 338 CD1 TRP E 57 27.432 90.558 2.281 1.00 32.95 C +ATOM 339 CD2 TRP E 57 28.602 89.529 0.674 1.00 32.78 C +ATOM 340 NE1 TRP E 57 28.622 91.228 2.138 1.00 33.00 N +ATOM 341 CE2 TRP E 57 29.361 90.618 1.159 1.00 32.74 C +ATOM 342 CE3 TRP E 57 29.139 88.731 -0.344 1.00 32.45 C +ATOM 343 CZ2 TRP E 57 30.629 90.933 0.658 1.00 32.70 C +ATOM 344 CZ3 TRP E 57 30.400 89.043 -0.841 1.00 32.78 C +ATOM 345 CH2 TRP E 57 31.132 90.133 -0.336 1.00 32.88 C +ATOM 346 N LYS E 58 24.071 87.673 -1.117 1.00 31.94 N +ATOM 347 CA LYS E 58 23.144 86.665 -1.634 1.00 31.19 C +ATOM 348 C LYS E 58 23.735 85.698 -2.665 1.00 30.67 C +ATOM 349 O LYS E 58 24.649 86.040 -3.419 1.00 30.40 O +ATOM 350 CB LYS E 58 21.871 87.324 -2.194 1.00 31.18 C +ATOM 351 CG LYS E 58 22.083 88.204 -3.419 1.00 31.32 C +ATOM 352 N ALA E 59 23.184 84.488 -2.682 1.00 30.09 N +ATOM 353 CA ALA E 59 23.558 83.461 -3.642 1.00 29.59 C +ATOM 354 C ALA E 59 22.308 82.690 -4.059 1.00 29.19 C +ATOM 355 O ALA E 59 21.579 82.174 -3.207 1.00 29.15 O +ATOM 356 CB ALA E 59 24.598 82.519 -3.041 1.00 29.59 C +ATOM 357 N THR E 60 22.053 82.638 -5.364 1.00 28.63 N +ATOM 358 CA THR E 60 20.916 81.887 -5.898 1.00 28.20 C +ATOM 359 C THR E 60 21.398 80.518 -6.372 1.00 27.90 C +ATOM 360 O THR E 60 22.222 80.416 -7.286 1.00 27.86 O +ATOM 361 CB THR E 60 20.199 82.645 -7.030 1.00 28.16 C +ATOM 362 OG1 THR E 60 19.803 83.939 -6.557 1.00 28.12 O +ATOM 363 CG2 THR E 60 18.965 81.880 -7.491 1.00 28.19 C +ATOM 364 N ILE E 61 20.870 79.474 -5.737 1.00 27.46 N +ATOM 365 CA ILE E 61 21.308 78.100 -5.968 1.00 27.12 C +ATOM 366 C ILE E 61 20.133 77.163 -6.233 1.00 26.85 C +ATOM 367 O ILE E 61 19.126 77.202 -5.527 1.00 26.77 O +ATOM 368 CB ILE E 61 22.116 77.595 -4.749 1.00 27.12 C +ATOM 369 CG1 ILE E 61 23.378 78.448 -4.569 1.00 27.19 C +ATOM 370 CG2 ILE E 61 22.470 76.118 -4.893 1.00 27.11 C +ATOM 371 CD1 ILE E 61 23.965 78.410 -3.179 1.00 28.03 C +ATOM 372 N VAL E 62 20.278 76.319 -7.252 1.00 26.54 N +ATOM 373 CA VAL E 62 19.253 75.340 -7.608 1.00 26.30 C +ATOM 374 C VAL E 62 19.418 74.071 -6.766 1.00 26.22 C +ATOM 375 O VAL E 62 20.457 73.407 -6.817 1.00 26.16 O +ATOM 376 CB VAL E 62 19.287 74.995 -9.121 1.00 26.22 C +ATOM 377 CG1 VAL E 62 18.132 74.071 -9.493 1.00 26.12 C +ATOM 378 CG2 VAL E 62 19.238 76.264 -9.961 1.00 26.15 C +ATOM 379 N LEU E 63 18.390 73.753 -5.985 1.00 26.26 N +ATOM 380 CA LEU E 63 18.390 72.563 -5.133 1.00 26.29 C +ATOM 381 C LEU E 63 17.333 71.561 -5.601 1.00 26.31 C +ATOM 382 O LEU E 63 16.522 71.870 -6.479 1.00 26.28 O +ATOM 383 CB LEU E 63 18.156 72.945 -3.665 1.00 26.35 C +ATOM 384 CG LEU E 63 19.115 73.928 -2.975 1.00 26.36 C +ATOM 385 CD1 LEU E 63 18.639 74.227 -1.558 1.00 26.55 C +ATOM 386 CD2 LEU E 63 20.548 73.419 -2.954 1.00 26.23 C +ATOM 387 N SER E 64 17.351 70.363 -5.018 1.00 26.36 N +ATOM 388 CA SER E 64 16.388 69.316 -5.369 1.00 26.30 C +ATOM 389 C SER E 64 15.096 69.435 -4.567 1.00 26.26 C +ATOM 390 O SER E 64 15.123 69.713 -3.367 1.00 26.22 O +ATOM 391 CB SER E 64 16.997 67.923 -5.180 1.00 26.37 C +ATOM 392 OG SER E 64 18.123 67.734 -6.022 1.00 26.58 O +ATOM 393 N ARG E 65 13.976 69.212 -5.251 1.00 26.14 N +ATOM 394 CA ARG E 65 12.635 69.261 -4.664 1.00 26.08 C +ATOM 395 C ARG E 65 12.377 68.199 -3.593 1.00 25.89 C +ATOM 396 O ARG E 65 12.556 67.003 -3.835 1.00 25.93 O +ATOM 397 CB ARG E 65 11.586 69.119 -5.773 1.00 26.20 C +ATOM 398 CG ARG E 65 11.079 70.423 -6.369 1.00 26.36 C +ATOM 399 CD ARG E 65 9.878 70.928 -5.589 1.00 26.67 C +ATOM 400 NE ARG E 65 9.144 71.962 -6.312 1.00 26.89 N +ATOM 401 CZ ARG E 65 7.910 72.358 -6.010 1.00 26.91 C +ATOM 402 NH1 ARG E 65 7.252 71.799 -5.001 1.00 26.97 N +ATOM 403 NH2 ARG E 65 7.326 73.309 -6.727 1.00 26.88 N +ATOM 404 N GLY E 66 11.951 68.654 -2.416 1.00 25.65 N +ATOM 405 CA GLY E 66 11.579 67.770 -1.309 1.00 25.41 C +ATOM 406 C GLY E 66 12.714 67.064 -0.591 1.00 25.21 C +ATOM 407 O GLY E 66 12.474 66.165 0.218 1.00 25.18 O +ATOM 408 N VAL E 67 13.948 67.475 -0.879 1.00 25.05 N +ATOM 409 CA VAL E 67 15.131 66.870 -0.273 1.00 24.84 C +ATOM 410 C VAL E 67 15.674 67.750 0.856 1.00 24.70 C +ATOM 411 O VAL E 67 15.930 68.942 0.661 1.00 24.72 O +ATOM 412 CB VAL E 67 16.231 66.582 -1.337 1.00 24.94 C +ATOM 413 CG1 VAL E 67 17.511 66.051 -0.688 1.00 24.79 C +ATOM 414 CG2 VAL E 67 15.718 65.597 -2.386 1.00 24.92 C +ATOM 415 N SER E 68 15.832 67.151 2.036 1.00 24.54 N +ATOM 416 CA SER E 68 16.372 67.844 3.202 1.00 24.25 C +ATOM 417 C SER E 68 17.860 68.117 3.021 1.00 24.09 C +ATOM 418 O SER E 68 18.638 67.211 2.708 1.00 24.05 O +ATOM 419 CB SER E 68 16.131 67.035 4.477 1.00 24.28 C +ATOM 420 OG SER E 68 16.681 67.695 5.605 1.00 24.29 O +ATOM 421 N VAL E 69 18.239 69.377 3.214 1.00 23.91 N +ATOM 422 CA VAL E 69 19.618 69.824 3.033 1.00 23.49 C +ATOM 423 C VAL E 69 20.094 70.607 4.258 1.00 23.34 C +ATOM 424 O VAL E 69 19.411 71.523 4.715 1.00 23.41 O +ATOM 425 CB VAL E 69 19.765 70.693 1.744 1.00 23.51 C +ATOM 426 CG1 VAL E 69 21.111 71.398 1.701 1.00 23.59 C +ATOM 427 CG2 VAL E 69 19.576 69.849 0.485 1.00 23.51 C +ATOM 428 N GLN E 70 21.253 70.225 4.793 1.00 23.21 N +ATOM 429 CA GLN E 70 21.881 70.951 5.902 1.00 23.13 C +ATOM 430 C GLN E 70 22.985 71.851 5.345 1.00 22.99 C +ATOM 431 O GLN E 70 23.653 71.491 4.375 1.00 22.82 O +ATOM 432 CB GLN E 70 22.451 70.002 6.966 1.00 23.14 C +ATOM 433 CG GLN E 70 21.423 69.104 7.660 1.00 23.93 C +ATOM 434 CD GLN E 70 21.072 67.863 6.852 1.00 24.97 C +ATOM 435 OE1 GLN E 70 21.952 67.175 6.327 1.00 25.66 O +ATOM 436 NE2 GLN E 70 19.780 67.563 6.762 1.00 25.54 N +ATOM 437 N TYR E 71 23.173 73.018 5.956 1.00 22.88 N +ATOM 438 CA TYR E 71 24.160 73.988 5.477 1.00 22.71 C +ATOM 439 C TYR E 71 24.634 74.942 6.570 1.00 22.63 C +ATOM 440 O TYR E 71 23.978 75.100 7.596 1.00 22.60 O +ATOM 441 CB TYR E 71 23.593 74.795 4.296 1.00 22.64 C +ATOM 442 CG TYR E 71 22.443 75.717 4.656 1.00 22.68 C +ATOM 443 CD1 TYR E 71 22.666 77.066 4.931 1.00 22.75 C +ATOM 444 CD2 TYR E 71 21.132 75.240 4.718 1.00 22.52 C +ATOM 445 CE1 TYR E 71 21.615 77.915 5.262 1.00 22.68 C +ATOM 446 CE2 TYR E 71 20.074 76.082 5.051 1.00 22.65 C +ATOM 447 CZ TYR E 71 20.322 77.417 5.320 1.00 22.57 C +ATOM 448 OH TYR E 71 19.280 78.253 5.647 1.00 22.30 O +ATOM 449 N ARG E 72 25.783 75.567 6.329 1.00 22.42 N +ATOM 450 CA ARG E 72 26.340 76.590 7.205 1.00 22.36 C +ATOM 451 C ARG E 72 27.018 77.644 6.342 1.00 21.82 C +ATOM 452 O ARG E 72 27.368 77.387 5.185 1.00 21.44 O +ATOM 453 CB ARG E 72 27.367 76.009 8.184 1.00 22.35 C +ATOM 454 CG ARG E 72 26.809 75.124 9.295 1.00 22.95 C +ATOM 455 CD ARG E 72 27.881 74.808 10.341 1.00 23.86 C +ATOM 456 NE ARG E 72 29.064 74.185 9.739 1.00 27.85 N +ATOM 457 CZ ARG E 72 30.233 74.007 10.354 1.00 28.94 C +ATOM 458 NH1 ARG E 72 30.411 74.410 11.609 1.00 29.25 N +ATOM 459 NH2 ARG E 72 31.235 73.428 9.702 1.00 28.99 N +ATOM 460 N TYR E 73 27.192 78.833 6.907 1.00 21.43 N +ATOM 461 CA TYR E 73 27.889 79.904 6.222 1.00 21.01 C +ATOM 462 C TYR E 73 29.277 80.051 6.803 1.00 20.88 C +ATOM 463 O TYR E 73 29.486 79.810 7.996 1.00 20.88 O +ATOM 464 CB TYR E 73 27.162 81.241 6.401 1.00 20.81 C +ATOM 465 CG TYR E 73 25.798 81.341 5.758 1.00 20.54 C +ATOM 466 CD1 TYR E 73 25.663 81.658 4.406 1.00 19.51 C +ATOM 467 CD2 TYR E 73 24.640 81.152 6.511 1.00 20.30 C +ATOM 468 CE1 TYR E 73 24.413 81.765 3.814 1.00 19.61 C +ATOM 469 CE2 TYR E 73 23.384 81.257 5.929 1.00 20.26 C +ATOM 470 CZ TYR E 73 23.276 81.565 4.581 1.00 20.19 C +ATOM 471 OH TYR E 73 22.030 81.674 4.007 1.00 20.16 O +ATOM 472 N PHE E 74 30.228 80.429 5.954 1.00 20.57 N +ATOM 473 CA PHE E 74 31.534 80.842 6.443 1.00 20.33 C +ATOM 474 C PHE E 74 31.972 82.128 5.767 1.00 20.13 C +ATOM 475 O PHE E 74 31.387 82.556 4.767 1.00 20.24 O +ATOM 476 CB PHE E 74 32.613 79.734 6.363 1.00 20.12 C +ATOM 477 CG PHE E 74 33.030 79.338 4.961 1.00 20.39 C +ATOM 478 CD1 PHE E 74 33.966 80.092 4.249 1.00 19.96 C +ATOM 479 CD2 PHE E 74 32.539 78.175 4.387 1.00 20.28 C +ATOM 480 CE1 PHE E 74 34.373 79.712 2.968 1.00 20.74 C +ATOM 481 CE2 PHE E 74 32.940 77.781 3.110 1.00 20.14 C +ATOM 482 CZ PHE E 74 33.859 78.553 2.397 1.00 20.51 C +ATOM 483 N LYS E 75 32.962 82.777 6.359 1.00 19.78 N +ATOM 484 CA LYS E 75 33.588 83.903 5.708 1.00 19.40 C +ATOM 485 C LYS E 75 35.003 83.487 5.344 1.00 19.06 C +ATOM 486 O LYS E 75 35.684 82.803 6.109 1.00 18.92 O +ATOM 487 CB LYS E 75 33.535 85.180 6.557 1.00 19.22 C +ATOM 488 CG LYS E 75 34.122 85.089 7.947 1.00 19.21 C +ATOM 489 CD LYS E 75 33.827 86.377 8.705 1.00 19.02 C +ATOM 490 CE LYS E 75 34.315 86.316 10.139 1.00 19.58 C +ATOM 491 NZ LYS E 75 33.972 87.562 10.881 1.00 19.93 N +ATOM 492 N GLY E 76 35.423 83.869 4.150 1.00 18.90 N +ATOM 493 CA GLY E 76 36.752 83.526 3.681 1.00 18.97 C +ATOM 494 C GLY E 76 37.102 84.209 2.386 1.00 18.90 C +ATOM 495 O GLY E 76 36.512 85.227 2.029 1.00 19.26 O +ATOM 496 N TYR E 77 38.062 83.628 1.675 1.00 18.95 N +ATOM 497 CA TYR E 77 38.581 84.211 0.447 1.00 18.70 C +ATOM 498 C TYR E 77 38.509 83.224 -0.699 1.00 18.71 C +ATOM 499 O TYR E 77 38.889 82.059 -0.553 1.00 18.55 O +ATOM 500 CB TYR E 77 40.031 84.675 0.654 1.00 18.66 C +ATOM 501 CG TYR E 77 40.174 85.640 1.805 1.00 18.41 C +ATOM 502 CD1 TYR E 77 40.039 87.010 1.607 1.00 18.40 C +ATOM 503 CD2 TYR E 77 40.414 85.179 3.101 1.00 18.38 C +ATOM 504 CE1 TYR E 77 40.154 87.900 2.659 1.00 18.40 C +ATOM 505 CE2 TYR E 77 40.526 86.065 4.170 1.00 19.14 C +ATOM 506 CZ TYR E 77 40.395 87.422 3.941 1.00 18.70 C +ATOM 507 OH TYR E 77 40.506 88.305 4.991 1.00 19.33 O +ATOM 508 N PHE E 78 38.001 83.705 -1.831 1.00 18.83 N +ATOM 509 CA PHE E 78 37.935 82.932 -3.066 1.00 18.83 C +ATOM 510 C PHE E 78 39.016 83.461 -4.003 1.00 19.12 C +ATOM 511 O PHE E 78 38.916 84.564 -4.543 1.00 18.59 O +ATOM 512 CB PHE E 78 36.530 83.007 -3.685 1.00 18.92 C +ATOM 513 CG PHE E 78 35.522 82.114 -3.006 1.00 19.03 C +ATOM 514 CD1 PHE E 78 34.949 81.050 -3.692 1.00 19.70 C +ATOM 515 CD2 PHE E 78 35.169 82.323 -1.668 1.00 19.55 C +ATOM 516 CE1 PHE E 78 34.029 80.212 -3.069 1.00 20.00 C +ATOM 517 CE2 PHE E 78 34.255 81.492 -1.031 1.00 19.66 C +ATOM 518 CZ PHE E 78 33.683 80.427 -1.735 1.00 19.42 C +ATOM 519 N LEU E 79 40.059 82.661 -4.180 1.00 19.39 N +ATOM 520 CA LEU E 79 41.241 83.101 -4.901 1.00 19.76 C +ATOM 521 C LEU E 79 41.246 82.729 -6.370 1.00 20.24 C +ATOM 522 O LEU E 79 40.740 81.681 -6.760 1.00 20.08 O +ATOM 523 CB LEU E 79 42.502 82.547 -4.234 1.00 19.78 C +ATOM 524 CG LEU E 79 42.625 82.672 -2.706 1.00 20.65 C +ATOM 525 CD1 LEU E 79 43.891 81.992 -2.252 1.00 21.10 C +ATOM 526 CD2 LEU E 79 42.587 84.102 -2.217 1.00 21.89 C +ATOM 527 N GLU E 80 41.830 83.609 -7.175 1.00 20.44 N +ATOM 528 CA GLU E 80 42.039 83.365 -8.592 1.00 21.77 C +ATOM 529 C GLU E 80 42.960 82.139 -8.724 1.00 21.77 C +ATOM 530 O GLU E 80 43.781 81.890 -7.838 1.00 21.20 O +ATOM 531 CB GLU E 80 42.690 84.606 -9.220 1.00 21.53 C +ATOM 532 CG GLU E 80 42.501 84.761 -10.719 1.00 25.22 C +ATOM 533 CD GLU E 80 41.075 85.122 -11.115 1.00 27.79 C +ATOM 534 OE1 GLU E 80 40.512 86.080 -10.541 1.00 28.97 O +ATOM 535 OE2 GLU E 80 40.530 84.459 -12.024 1.00 29.47 O +ATOM 536 N PRO E 81 42.800 81.346 -9.805 1.00 22.38 N +ATOM 537 CA PRO E 81 43.690 80.208 -10.053 1.00 22.88 C +ATOM 538 C PRO E 81 45.166 80.607 -9.990 1.00 23.39 C +ATOM 539 O PRO E 81 45.551 81.648 -10.533 1.00 23.12 O +ATOM 540 CB PRO E 81 43.340 79.798 -11.490 1.00 22.75 C +ATOM 541 CG PRO E 81 41.944 80.226 -11.674 1.00 22.92 C +ATOM 542 CD PRO E 81 41.749 81.453 -10.836 1.00 22.46 C +ATOM 543 N LYS E 82 45.969 79.772 -9.336 1.00 24.23 N +ATOM 544 CA LYS E 82 47.404 80.002 -9.173 1.00 25.15 C +ATOM 545 C LYS E 82 48.115 79.765 -10.503 1.00 25.30 C +ATOM 546 O LYS E 82 49.046 80.489 -10.863 1.00 24.94 O +ATOM 547 CB LYS E 82 47.951 79.082 -8.078 1.00 25.32 C +ATOM 548 CG LYS E 82 49.377 79.363 -7.640 1.00 26.02 C +ATOM 549 CD LYS E 82 49.874 78.305 -6.652 1.00 26.28 C +ATOM 550 CE LYS E 82 49.224 78.440 -5.279 1.00 28.67 C +ATOM 551 NZ LYS E 82 49.589 77.298 -4.385 1.00 30.06 N +ATOM 552 N THR E 83 47.663 78.738 -11.218 1.00 25.62 N +ATOM 553 CA THR E 83 48.132 78.447 -12.562 1.00 26.56 C +ATOM 554 C THR E 83 46.905 78.605 -13.453 1.00 26.43 C +ATOM 555 O THR E 83 45.800 78.213 -13.071 1.00 26.62 O +ATOM 556 CB THR E 83 48.703 77.016 -12.686 1.00 26.58 C +ATOM 557 OG1 THR E 83 49.382 76.652 -11.476 1.00 27.70 O +ATOM 558 CG2 THR E 83 49.674 76.935 -13.852 1.00 27.29 C +ATOM 559 N ILE E 84 47.095 79.190 -14.628 1.00 26.42 N +ATOM 560 CA ILE E 84 45.968 79.518 -15.505 1.00 26.44 C +ATOM 561 C ILE E 84 45.065 78.313 -15.823 1.00 26.22 C +ATOM 562 O ILE E 84 45.534 77.244 -16.226 1.00 26.38 O +ATOM 563 CB ILE E 84 46.413 80.340 -16.761 1.00 26.52 C +ATOM 564 CG1 ILE E 84 47.341 79.540 -17.678 1.00 26.94 C +ATOM 565 CG2 ILE E 84 47.100 81.642 -16.341 1.00 26.55 C +ATOM 566 CD1 ILE E 84 46.641 78.938 -18.861 1.00 27.68 C +ATOM 567 N GLY E 85 43.769 78.501 -15.595 1.00 25.91 N +ATOM 568 CA GLY E 85 42.782 77.450 -15.792 1.00 25.78 C +ATOM 569 C GLY E 85 42.558 76.582 -14.566 1.00 25.76 C +ATOM 570 O GLY E 85 41.631 75.771 -14.541 1.00 25.72 O +ATOM 571 N GLY E 86 43.398 76.760 -13.545 1.00 25.54 N +ATOM 572 CA GLY E 86 43.293 75.996 -12.300 1.00 25.60 C +ATOM 573 C GLY E 86 42.018 76.286 -11.526 1.00 25.67 C +ATOM 574 O GLY E 86 41.253 77.174 -11.897 1.00 25.61 O +ATOM 575 N PRO E 87 41.765 75.531 -10.443 1.00 25.94 N +ATOM 576 CA PRO E 87 40.556 75.804 -9.674 1.00 25.92 C +ATOM 577 C PRO E 87 40.737 77.027 -8.781 1.00 25.75 C +ATOM 578 O PRO E 87 41.870 77.400 -8.470 1.00 25.64 O +ATOM 579 CB PRO E 87 40.408 74.553 -8.812 1.00 26.15 C +ATOM 580 CG PRO E 87 41.811 74.099 -8.593 1.00 26.09 C +ATOM 581 CD PRO E 87 42.545 74.415 -9.875 1.00 26.09 C +ATOM 582 N CYS E 88 39.629 77.661 -8.412 1.00 26.22 N +ATOM 583 CA CYS E 88 39.652 78.738 -7.433 1.00 25.92 C +ATOM 584 C CYS E 88 39.945 78.092 -6.082 1.00 25.15 C +ATOM 585 O CYS E 88 39.270 77.140 -5.685 1.00 25.26 O +ATOM 586 CB CYS E 88 38.302 79.467 -7.399 1.00 26.23 C +ATOM 587 SG CYS E 88 38.005 80.504 -5.936 1.00 29.42 S +ATOM 588 N GLN E 89 40.976 78.577 -5.399 1.00 24.09 N +ATOM 589 CA GLN E 89 41.283 78.076 -4.071 1.00 22.99 C +ATOM 590 C GLN E 89 40.470 78.857 -3.037 1.00 22.20 C +ATOM 591 O GLN E 89 40.372 80.086 -3.102 1.00 22.06 O +ATOM 592 CB GLN E 89 42.781 78.152 -3.757 1.00 22.84 C +ATOM 593 CG GLN E 89 43.135 77.447 -2.436 1.00 23.21 C +ATOM 594 CD GLN E 89 44.609 77.461 -2.088 1.00 23.30 C +ATOM 595 OE1 GLN E 89 44.973 77.323 -0.917 1.00 25.54 O +ATOM 596 NE2 GLN E 89 45.463 77.618 -3.088 1.00 24.12 N +ATOM 597 N VAL E 90 39.881 78.131 -2.096 1.00 21.23 N +ATOM 598 CA VAL E 90 39.099 78.750 -1.039 1.00 20.60 C +ATOM 599 C VAL E 90 39.893 78.725 0.266 1.00 20.32 C +ATOM 600 O VAL E 90 40.500 77.712 0.630 1.00 20.01 O +ATOM 601 CB VAL E 90 37.714 78.065 -0.874 1.00 20.57 C +ATOM 602 CG1 VAL E 90 36.922 78.678 0.297 1.00 20.19 C +ATOM 603 CG2 VAL E 90 36.928 78.157 -2.164 1.00 19.60 C +ATOM 604 N ILE E 91 39.916 79.867 0.944 1.00 20.41 N +ATOM 605 CA ILE E 91 40.539 79.961 2.253 1.00 19.98 C +ATOM 606 C ILE E 91 39.462 80.317 3.261 1.00 19.91 C +ATOM 607 O ILE E 91 38.871 81.396 3.194 1.00 19.58 O +ATOM 608 CB ILE E 91 41.704 80.973 2.278 1.00 20.22 C +ATOM 609 CG1 ILE E 91 42.798 80.511 1.309 1.00 20.58 C +ATOM 610 CG2 ILE E 91 42.235 81.144 3.714 1.00 20.34 C +ATOM 611 CD1 ILE E 91 44.030 81.326 1.341 1.00 21.89 C +ATOM 612 N VAL E 92 39.186 79.378 4.165 1.00 19.65 N +ATOM 613 CA VAL E 92 38.199 79.578 5.214 1.00 19.47 C +ATOM 614 C VAL E 92 38.852 80.384 6.329 1.00 19.67 C +ATOM 615 O VAL E 92 39.888 79.988 6.877 1.00 19.47 O +ATOM 616 CB VAL E 92 37.654 78.231 5.795 1.00 19.34 C +ATOM 617 CG1 VAL E 92 36.620 78.486 6.910 1.00 19.76 C +ATOM 618 CG2 VAL E 92 37.046 77.355 4.694 1.00 19.00 C +ATOM 619 N HIS E 93 38.255 81.528 6.637 1.00 19.87 N +ATOM 620 CA HIS E 93 38.688 82.330 7.762 1.00 20.01 C +ATOM 621 C HIS E 93 37.930 81.832 8.997 1.00 20.23 C +ATOM 622 O HIS E 93 38.545 81.344 9.951 1.00 20.21 O +ATOM 623 CB HIS E 93 38.470 83.824 7.485 1.00 20.25 C +ATOM 624 CG HIS E 93 38.814 84.719 8.639 1.00 21.05 C +ATOM 625 ND1 HIS E 93 40.076 84.776 9.190 1.00 22.98 N +ATOM 626 CD2 HIS E 93 38.066 85.615 9.326 1.00 22.07 C +ATOM 627 CE1 HIS E 93 40.086 85.652 10.180 1.00 21.70 C +ATOM 628 NE2 HIS E 93 38.878 86.176 10.282 1.00 21.63 N +ATOM 629 N LYS E 94 36.600 81.930 8.963 1.00 20.15 N +ATOM 630 CA LYS E 94 35.763 81.511 10.086 1.00 20.61 C +ATOM 631 C LYS E 94 34.394 81.002 9.648 1.00 20.48 C +ATOM 632 O LYS E 94 33.739 81.594 8.785 1.00 20.29 O +ATOM 633 CB LYS E 94 35.549 82.667 11.084 1.00 20.72 C +ATOM 634 CG LYS E 94 36.808 83.270 11.716 1.00 22.09 C +ATOM 635 CD LYS E 94 37.400 82.403 12.827 1.00 24.18 C +ATOM 636 CE LYS E 94 38.750 82.948 13.287 1.00 24.89 C +ATOM 637 NZ LYS E 94 39.304 82.191 14.449 1.00 25.71 N +ATOM 638 N TRP E 95 33.975 79.896 10.250 1.00 20.61 N +ATOM 639 CA TRP E 95 32.616 79.406 10.095 1.00 20.98 C +ATOM 640 C TRP E 95 31.743 80.190 11.069 1.00 21.71 C +ATOM 641 O TRP E 95 32.242 80.710 12.076 1.00 21.41 O +ATOM 642 CB TRP E 95 32.529 77.916 10.431 1.00 20.43 C +ATOM 643 CG TRP E 95 33.098 76.997 9.381 1.00 19.99 C +ATOM 644 CD1 TRP E 95 34.371 76.511 9.321 1.00 19.27 C +ATOM 645 CD2 TRP E 95 32.398 76.439 8.255 1.00 19.59 C +ATOM 646 NE1 TRP E 95 34.513 75.689 8.224 1.00 19.45 N +ATOM 647 CE2 TRP E 95 33.319 75.628 7.553 1.00 19.34 C +ATOM 648 CE3 TRP E 95 31.084 76.551 7.769 1.00 19.02 C +ATOM 649 CZ2 TRP E 95 32.969 74.927 6.390 1.00 19.52 C +ATOM 650 CZ3 TRP E 95 30.736 75.857 6.613 1.00 19.28 C +ATOM 651 CH2 TRP E 95 31.678 75.053 5.937 1.00 19.51 C +ATOM 652 N GLU E 96 30.450 80.285 10.773 1.00 22.72 N +ATOM 653 CA GLU E 96 29.522 80.932 11.698 1.00 23.69 C +ATOM 654 C GLU E 96 29.415 80.118 12.986 1.00 24.50 C +ATOM 655 O GLU E 96 29.502 78.885 12.961 1.00 24.69 O +ATOM 656 CB GLU E 96 28.145 81.144 11.061 1.00 23.71 C +ATOM 657 CG GLU E 96 27.378 79.872 10.710 1.00 23.59 C +ATOM 658 CD GLU E 96 26.030 80.162 10.078 1.00 23.76 C +ATOM 659 OE1 GLU E 96 25.557 79.313 9.290 1.00 23.87 O +ATOM 660 OE2 GLU E 96 25.453 81.240 10.356 1.00 22.78 O +ATOM 661 N THR E 97 29.232 80.818 14.102 1.00 25.44 N +ATOM 662 CA THR E 97 29.151 80.188 15.425 1.00 26.34 C +ATOM 663 C THR E 97 27.736 79.701 15.795 1.00 26.66 C +ATOM 664 O THR E 97 27.427 79.480 16.972 1.00 27.05 O +ATOM 665 CB THR E 97 29.744 81.115 16.520 1.00 26.29 C +ATOM 666 OG1 THR E 97 29.639 80.484 17.803 1.00 27.31 O +ATOM 667 CG2 THR E 97 29.024 82.466 16.550 1.00 26.71 C +ATOM 668 N HIS E 98 26.892 79.526 14.778 1.00 27.15 N +ATOM 669 CA HIS E 98 25.526 79.035 14.947 1.00 27.55 C +ATOM 670 C HIS E 98 25.517 77.594 15.465 1.00 27.66 C +ATOM 671 O HIS E 98 26.111 76.700 14.856 1.00 27.90 O +ATOM 672 CB HIS E 98 24.764 79.132 13.618 1.00 27.67 C +ATOM 673 CG HIS E 98 23.404 78.507 13.650 1.00 28.37 C +ATOM 674 ND1 HIS E 98 23.188 77.179 13.350 1.00 29.00 N +ATOM 675 CD2 HIS E 98 22.190 79.027 13.948 1.00 28.88 C +ATOM 676 CE1 HIS E 98 21.900 76.907 13.467 1.00 29.12 C +ATOM 677 NE2 HIS E 98 21.272 78.012 13.827 1.00 29.16 N +ATOM 678 N PRO E 101 23.544 72.703 12.874 1.00 27.45 N +ATOM 679 CA PRO E 101 23.636 73.621 11.740 1.00 27.41 C +ATOM 680 C PRO E 101 22.261 74.070 11.238 1.00 27.25 C +ATOM 681 O PRO E 101 21.260 73.886 11.933 1.00 27.33 O +ATOM 682 CB PRO E 101 24.365 72.793 10.665 1.00 27.30 C +ATOM 683 CG PRO E 101 24.440 71.393 11.193 1.00 27.57 C +ATOM 684 CD PRO E 101 24.372 71.502 12.677 1.00 27.47 C +ATOM 685 N ARG E 102 22.225 74.661 10.044 1.00 27.03 N +ATOM 686 CA ARG E 102 20.978 75.136 9.442 1.00 26.75 C +ATOM 687 C ARG E 102 20.445 74.084 8.482 1.00 26.55 C +ATOM 688 O ARG E 102 21.215 73.300 7.933 1.00 26.39 O +ATOM 689 CB ARG E 102 21.199 76.458 8.701 1.00 26.73 C +ATOM 690 CG ARG E 102 21.810 77.568 9.545 1.00 26.73 C +ATOM 691 CD ARG E 102 22.040 78.815 8.707 1.00 26.74 C +ATOM 692 NE ARG E 102 22.680 79.894 9.458 1.00 26.62 N +ATOM 693 CZ ARG E 102 22.034 80.782 10.212 1.00 26.79 C +ATOM 694 NH1 ARG E 102 20.713 80.726 10.340 1.00 26.49 N +ATOM 695 NH2 ARG E 102 22.715 81.728 10.848 1.00 26.52 N +ATOM 696 N SER E 103 19.129 74.068 8.283 1.00 26.44 N +ATOM 697 CA SER E 103 18.499 73.088 7.394 1.00 26.42 C +ATOM 698 C SER E 103 17.351 73.659 6.557 1.00 26.27 C +ATOM 699 O SER E 103 16.665 74.598 6.974 1.00 26.22 O +ATOM 700 CB SER E 103 18.038 71.854 8.182 1.00 26.33 C +ATOM 701 OG SER E 103 17.228 72.221 9.283 1.00 27.01 O +ATOM 702 N ILE E 104 17.158 73.076 5.374 1.00 26.06 N +ATOM 703 CA ILE E 104 16.109 73.492 4.443 1.00 25.85 C +ATOM 704 C ILE E 104 15.546 72.322 3.621 1.00 25.74 C +ATOM 705 O ILE E 104 16.295 71.487 3.110 1.00 25.68 O +ATOM 706 CB ILE E 104 16.594 74.643 3.498 1.00 25.80 C +ATOM 707 CG1 ILE E 104 15.455 75.109 2.577 1.00 25.70 C +ATOM 708 CG2 ILE E 104 17.859 74.232 2.711 1.00 25.82 C +ATOM 709 CD1 ILE E 104 15.818 76.248 1.647 1.00 25.90 C +ATOM 710 N THR E 105 14.220 72.270 3.517 1.00 25.69 N +ATOM 711 CA THR E 105 13.536 71.289 2.676 1.00 25.64 C +ATOM 712 C THR E 105 12.651 72.045 1.676 1.00 25.54 C +ATOM 713 O THR E 105 11.499 72.366 1.981 1.00 25.47 O +ATOM 714 CB THR E 105 12.711 70.265 3.505 1.00 25.67 C +ATOM 715 OG1 THR E 105 13.556 69.642 4.480 1.00 25.76 O +ATOM 716 CG2 THR E 105 12.112 69.183 2.605 1.00 25.52 C +ATOM 717 N PRO E 106 13.206 72.359 0.489 1.00 25.48 N +ATOM 718 CA PRO E 106 12.488 73.085 -0.562 1.00 25.38 C +ATOM 719 C PRO E 106 11.243 72.366 -1.080 1.00 25.29 C +ATOM 720 O PRO E 106 11.324 71.230 -1.549 1.00 25.23 O +ATOM 721 CB PRO E 106 13.533 73.234 -1.678 1.00 25.43 C +ATOM 722 CG PRO E 106 14.578 72.232 -1.383 1.00 25.50 C +ATOM 723 CD PRO E 106 14.595 72.056 0.096 1.00 25.47 C +ATOM 724 N LEU E 107 10.102 73.043 -0.976 1.00 25.30 N +ATOM 725 CA LEU E 107 8.815 72.520 -1.439 1.00 25.26 C +ATOM 726 C LEU E 107 8.107 73.558 -2.317 1.00 25.16 C +ATOM 727 O LEU E 107 6.893 73.491 -2.534 1.00 25.22 O +ATOM 728 CB LEU E 107 7.932 72.115 -0.249 1.00 25.23 C +ATOM 729 CG LEU E 107 8.421 71.025 0.717 1.00 25.31 C +ATOM 730 CD1 LEU E 107 7.507 70.944 1.933 1.00 25.45 C +ATOM 731 CD2 LEU E 107 8.541 69.661 0.040 1.00 25.33 C +ATOM 732 N GLU E 108 8.888 74.514 -2.816 1.00 25.03 N +ATOM 733 CA GLU E 108 8.398 75.585 -3.682 1.00 24.91 C +ATOM 734 C GLU E 108 9.347 75.777 -4.868 1.00 24.79 C +ATOM 735 O GLU E 108 10.505 75.359 -4.816 1.00 24.71 O +ATOM 736 CB GLU E 108 8.251 76.891 -2.889 1.00 24.86 C +ATOM 737 CG GLU E 108 7.157 76.859 -1.816 1.00 25.08 C +ATOM 738 CD GLU E 108 7.143 78.091 -0.918 1.00 25.06 C +ATOM 739 OE1 GLU E 108 8.189 78.769 -0.793 1.00 25.04 O +ATOM 740 OE2 GLU E 108 6.078 78.371 -0.321 1.00 24.68 O +ATOM 741 N SER E 109 8.847 76.404 -5.931 1.00 24.70 N +ATOM 742 CA SER E 109 9.633 76.654 -7.144 1.00 24.56 C +ATOM 743 C SER E 109 10.779 77.639 -6.889 1.00 24.44 C +ATOM 744 O SER E 109 11.928 77.373 -7.253 1.00 24.35 O +ATOM 745 CB SER E 109 8.725 77.156 -8.274 1.00 24.59 C +ATOM 746 OG SER E 109 9.447 77.329 -9.481 1.00 24.61 O +ATOM 747 N GLU E 110 10.453 78.770 -6.266 1.00 24.31 N +ATOM 748 CA GLU E 110 11.435 79.797 -5.912 1.00 24.19 C +ATOM 749 C GLU E 110 11.299 80.170 -4.438 1.00 23.92 C +ATOM 750 O GLU E 110 10.200 80.476 -3.966 1.00 23.94 O +ATOM 751 CB GLU E 110 11.276 81.039 -6.796 1.00 24.19 C +ATOM 752 CG GLU E 110 11.628 80.815 -8.265 1.00 24.42 C +ATOM 753 CD GLU E 110 11.349 82.025 -9.145 1.00 24.53 C +ATOM 754 OE1 GLU E 110 11.538 81.911 -10.375 1.00 24.98 O +ATOM 755 OE2 GLU E 110 10.939 83.084 -8.621 1.00 25.00 O +ATOM 756 N ILE E 111 12.418 80.132 -3.719 1.00 23.63 N +ATOM 757 CA ILE E 111 12.445 80.421 -2.283 1.00 23.39 C +ATOM 758 C ILE E 111 13.535 81.445 -1.943 1.00 23.13 C +ATOM 759 O ILE E 111 14.626 81.421 -2.518 1.00 22.90 O +ATOM 760 CB ILE E 111 12.682 79.133 -1.437 1.00 23.44 C +ATOM 761 CG1 ILE E 111 11.780 77.986 -1.907 1.00 23.56 C +ATOM 762 CG2 ILE E 111 12.468 79.409 0.058 1.00 23.51 C +ATOM 763 CD1 ILE E 111 12.126 76.642 -1.308 1.00 23.40 C +ATOM 764 N ILE E 112 13.222 82.345 -1.012 1.00 22.80 N +ATOM 765 CA ILE E 112 14.179 83.334 -0.524 1.00 22.50 C +ATOM 766 C ILE E 112 14.396 83.125 0.976 1.00 22.28 C +ATOM 767 O ILE E 112 13.473 83.291 1.780 1.00 22.30 O +ATOM 768 CB ILE E 112 13.726 84.784 -0.831 1.00 22.57 C +ATOM 769 CG1 ILE E 112 13.598 84.988 -2.348 1.00 22.52 C +ATOM 770 CG2 ILE E 112 14.699 85.799 -0.216 1.00 22.57 C +ATOM 771 CD1 ILE E 112 12.913 86.275 -2.757 1.00 22.43 C +ATOM 772 N ILE E 113 15.619 82.742 1.334 1.00 22.02 N +ATOM 773 CA ILE E 113 15.989 82.476 2.723 1.00 21.72 C +ATOM 774 C ILE E 113 16.852 83.605 3.286 1.00 21.59 C +ATOM 775 O ILE E 113 17.950 83.867 2.788 1.00 21.51 O +ATOM 776 CB ILE E 113 16.737 81.115 2.867 1.00 21.64 C +ATOM 777 CG1 ILE E 113 15.872 79.944 2.364 1.00 21.53 C +ATOM 778 CG2 ILE E 113 17.218 80.891 4.308 1.00 21.62 C +ATOM 779 CD1 ILE E 113 14.627 79.630 3.197 1.00 21.03 C +ATOM 780 N ASP E 114 16.340 84.272 4.317 1.00 21.32 N +ATOM 781 CA ASP E 114 17.073 85.330 4.999 1.00 21.20 C +ATOM 782 C ASP E 114 17.473 84.814 6.376 1.00 21.19 C +ATOM 783 O ASP E 114 16.638 84.702 7.276 1.00 21.14 O +ATOM 784 CB ASP E 114 16.218 86.599 5.112 1.00 21.06 C +ATOM 785 CG ASP E 114 17.023 87.827 5.526 1.00 20.88 C +ATOM 786 OD1 ASP E 114 18.198 87.698 5.938 1.00 20.35 O +ATOM 787 OD2 ASP E 114 16.466 88.940 5.438 1.00 20.80 O +ATOM 788 N ASP E 115 18.756 84.496 6.525 1.00 21.21 N +ATOM 789 CA ASP E 115 19.284 83.938 7.773 1.00 21.32 C +ATOM 790 C ASP E 115 19.825 84.990 8.747 1.00 21.48 C +ATOM 791 O ASP E 115 20.571 84.669 9.677 1.00 21.52 O +ATOM 792 CB ASP E 115 20.323 82.840 7.483 1.00 21.15 C +ATOM 793 CG ASP E 115 19.685 81.542 6.991 1.00 20.89 C +ATOM 794 OD1 ASP E 115 18.586 81.182 7.471 1.00 20.65 O +ATOM 795 OD2 ASP E 115 20.287 80.869 6.131 1.00 19.76 O +ATOM 796 N GLY E 116 19.435 86.243 8.521 1.00 21.77 N +ATOM 797 CA GLY E 116 19.767 87.350 9.415 1.00 22.06 C +ATOM 798 C GLY E 116 21.213 87.801 9.407 1.00 22.32 C +ATOM 799 O GLY E 116 21.743 88.200 8.369 1.00 22.22 O +ATOM 800 N GLN E 117 21.840 87.740 10.580 1.00 22.65 N +ATOM 801 CA GLN E 117 23.219 88.188 10.769 1.00 23.03 C +ATOM 802 C GLN E 117 24.165 87.025 11.033 1.00 23.20 C +ATOM 803 O GLN E 117 23.817 86.077 11.740 1.00 23.36 O +ATOM 804 CB GLN E 117 23.303 89.183 11.932 1.00 23.06 C +ATOM 805 CG GLN E 117 22.591 90.515 11.699 1.00 23.52 C +ATOM 806 CD GLN E 117 23.369 91.474 10.805 1.00 23.93 C +ATOM 807 OE1 GLN E 117 24.577 91.326 10.607 1.00 23.91 O +ATOM 808 NE2 GLN E 117 22.676 92.478 10.276 1.00 24.30 N +ATOM 809 N PHE E 118 25.366 87.125 10.467 1.00 23.35 N +ATOM 810 CA PHE E 118 26.424 86.127 10.620 1.00 23.63 C +ATOM 811 C PHE E 118 27.008 86.175 12.035 1.00 23.89 C +ATOM 812 O PHE E 118 27.347 87.250 12.540 1.00 23.94 O +ATOM 813 CB PHE E 118 27.508 86.379 9.567 1.00 23.39 C +ATOM 814 CG PHE E 118 28.594 85.336 9.525 1.00 23.16 C +ATOM 815 CD1 PHE E 118 28.546 84.304 8.592 1.00 22.75 C +ATOM 816 CD2 PHE E 118 29.687 85.411 10.387 1.00 22.90 C +ATOM 817 CE1 PHE E 118 29.558 83.354 8.534 1.00 22.32 C +ATOM 818 CE2 PHE E 118 30.700 84.461 10.341 1.00 22.90 C +ATOM 819 CZ PHE E 118 30.639 83.433 9.411 1.00 22.41 C +ATOM 820 N GLY E 119 27.124 85.004 12.661 1.00 24.17 N +ATOM 821 CA GLY E 119 27.608 84.886 14.042 1.00 24.69 C +ATOM 822 C GLY E 119 29.019 85.391 14.290 1.00 24.98 C +ATOM 823 O GLY E 119 29.310 85.941 15.358 1.00 25.07 O Added: SwiftApps/modFTdock/input/indata/2z17-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/2z17-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/2z17-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,734 @@ +ATOM 1 N PHE A 11 19.178 -34.022 -1.674 1.00 84.63 N +ATOM 2 CA PHE A 11 18.300 -33.041 -0.972 1.00 84.67 C +ATOM 3 C PHE A 11 16.942 -33.656 -0.639 1.00 85.51 C +ATOM 4 O PHE A 11 16.537 -33.701 0.536 1.00 84.81 O +ATOM 5 CB PHE A 11 18.094 -31.796 -1.842 1.00 83.16 C +ATOM 6 CG PHE A 11 17.523 -30.635 -1.088 1.00 82.25 C +ATOM 7 CD1 PHE A 11 16.215 -30.680 -0.600 1.00 81.56 C +ATOM 8 CD2 PHE A 11 18.313 -29.525 -0.800 1.00 80.97 C +ATOM 9 CE1 PHE A 11 15.706 -29.650 0.163 1.00 80.81 C +ATOM 10 CE2 PHE A 11 17.818 -28.486 -0.035 1.00 80.59 C +ATOM 11 CZ PHE A 11 16.506 -28.549 0.451 1.00 81.91 C +ATOM 12 N SER A 12 16.251 -34.102 -1.694 1.00 85.90 N +ATOM 13 CA SER A 12 14.933 -34.741 -1.606 1.00 85.65 C +ATOM 14 C SER A 12 14.243 -34.538 -0.250 1.00 85.05 C +ATOM 15 O SER A 12 14.250 -35.409 0.622 1.00 84.97 O +ATOM 16 CB SER A 12 15.059 -36.244 -1.943 1.00 85.57 C +ATOM 17 OG SER A 12 16.321 -36.766 -1.550 1.00 84.32 O +ATOM 18 N TRP A 13 13.645 -33.367 -0.089 1.00 84.49 N +ATOM 19 CA TRP A 13 12.965 -33.020 1.143 1.00 83.10 C +ATOM 20 C TRP A 13 12.208 -31.672 0.989 1.00 81.67 C +ATOM 21 O TRP A 13 12.341 -30.962 -0.018 1.00 80.19 O +ATOM 22 CB TRP A 13 14.004 -33.002 2.297 1.00 84.36 C +ATOM 23 CG TRP A 13 13.639 -32.126 3.451 1.00 86.37 C +ATOM 24 CD1 TRP A 13 14.375 -31.082 3.950 1.00 87.38 C +ATOM 25 CD2 TRP A 13 12.362 -32.055 4.094 1.00 87.20 C +ATOM 26 NE1 TRP A 13 13.622 -30.351 4.841 1.00 87.68 N +ATOM 27 CE2 TRP A 13 12.382 -30.927 4.943 1.00 87.90 C +ATOM 28 CE3 TRP A 13 11.193 -32.828 4.020 1.00 87.63 C +ATOM 29 CZ2 TRP A 13 11.273 -30.548 5.706 1.00 88.54 C +ATOM 30 CZ3 TRP A 13 10.092 -32.448 4.775 1.00 88.74 C +ATOM 31 CH2 TRP A 13 10.141 -31.318 5.607 1.00 88.36 C +ATOM 32 N SER A 14 11.382 -31.380 1.992 1.00 79.84 N +ATOM 33 CA SER A 14 10.545 -30.195 2.129 1.00 76.79 C +ATOM 34 C SER A 14 9.573 -29.966 0.988 1.00 74.76 C +ATOM 35 O SER A 14 9.944 -29.816 -0.177 1.00 74.03 O +ATOM 36 CB SER A 14 11.397 -28.959 2.407 1.00 75.90 C +ATOM 37 OG SER A 14 12.587 -28.969 1.651 1.00 76.39 O +ATOM 38 N GLN A 15 8.303 -29.970 1.371 1.00 72.45 N +ATOM 39 CA GLN A 15 7.192 -29.794 0.462 1.00 70.24 C +ATOM 40 C GLN A 15 7.400 -28.608 -0.458 1.00 67.19 C +ATOM 41 O GLN A 15 7.274 -27.467 -0.024 1.00 68.58 O +ATOM 42 CB GLN A 15 5.903 -29.618 1.277 1.00 71.59 C +ATOM 43 CG GLN A 15 5.482 -30.876 2.052 1.00 72.55 C +ATOM 44 CD GLN A 15 4.963 -32.001 1.144 1.00 72.18 C +ATOM 45 OE1 GLN A 15 3.779 -32.040 0.790 1.00 70.52 O +ATOM 46 NE2 GLN A 15 5.858 -32.909 0.756 1.00 71.87 N +ATOM 47 N ARG A 16 7.724 -28.871 -1.722 1.00 62.60 N +ATOM 48 CA ARG A 16 7.927 -27.787 -2.680 1.00 58.74 C +ATOM 49 C ARG A 16 6.657 -26.959 -2.787 1.00 53.97 C +ATOM 50 O ARG A 16 5.614 -27.460 -3.206 1.00 53.91 O +ATOM 51 CB ARG A 16 8.282 -28.325 -4.067 1.00 59.81 C +ATOM 52 CG ARG A 16 9.598 -29.048 -4.132 1.00 63.24 C +ATOM 53 CD ARG A 16 10.105 -29.124 -5.564 1.00 66.23 C +ATOM 54 NE ARG A 16 10.483 -27.805 -6.066 1.00 67.44 N +ATOM 55 CZ ARG A 16 10.772 -27.554 -7.336 1.00 68.06 C +ATOM 56 NH1 ARG A 16 10.722 -28.531 -8.232 1.00 68.87 N +ATOM 57 NH2 ARG A 16 11.113 -26.329 -7.710 1.00 68.87 N +ATOM 58 N LYS A 17 6.744 -25.695 -2.404 1.00 47.77 N +ATOM 59 CA LYS A 17 5.591 -24.835 -2.470 1.00 43.59 C +ATOM 60 C LYS A 17 5.797 -23.533 -3.226 1.00 42.01 C +ATOM 61 O LYS A 17 6.908 -23.017 -3.366 1.00 41.10 O +ATOM 62 CB LYS A 17 5.075 -24.509 -1.076 1.00 42.59 C +ATOM 63 CG LYS A 17 5.896 -25.024 0.077 1.00 42.40 C +ATOM 64 CD LYS A 17 5.348 -24.449 1.381 1.00 42.97 C +ATOM 65 CE LYS A 17 5.973 -25.081 2.595 1.00 41.51 C +ATOM 66 NZ LYS A 17 5.352 -24.532 3.845 1.00 42.72 N +ATOM 67 N LEU A 18 4.684 -23.007 -3.708 1.00 40.41 N +ATOM 68 CA LEU A 18 4.650 -21.766 -4.450 1.00 38.88 C +ATOM 69 C LEU A 18 3.620 -20.944 -3.719 1.00 38.43 C +ATOM 70 O LEU A 18 2.412 -21.081 -3.922 1.00 39.33 O +ATOM 71 CB LEU A 18 4.222 -22.044 -5.884 1.00 38.78 C +ATOM 72 CG LEU A 18 4.308 -20.908 -6.890 1.00 40.83 C +ATOM 73 CD1 LEU A 18 5.342 -19.877 -6.474 1.00 38.28 C +ATOM 74 CD2 LEU A 18 4.637 -21.527 -8.249 1.00 41.46 C +ATOM 75 N VAL A 19 4.107 -20.079 -2.855 1.00 38.24 N +ATOM 76 CA VAL A 19 3.229 -19.276 -2.049 1.00 37.93 C +ATOM 77 C VAL A 19 3.308 -17.773 -2.265 1.00 37.94 C +ATOM 78 O VAL A 19 4.307 -17.262 -2.737 1.00 41.10 O +ATOM 79 CB VAL A 19 3.506 -19.642 -0.620 1.00 37.44 C +ATOM 80 CG1 VAL A 19 2.724 -18.762 0.346 1.00 36.67 C +ATOM 81 CG2 VAL A 19 3.161 -21.112 -0.458 1.00 35.72 C +ATOM 82 N THR A 20 2.236 -17.066 -1.936 1.00 37.71 N +ATOM 83 CA THR A 20 2.225 -15.625 -2.079 1.00 36.88 C +ATOM 84 C THR A 20 1.655 -14.962 -0.863 1.00 36.69 C +ATOM 85 O THR A 20 0.485 -15.102 -0.589 1.00 39.02 O +ATOM 86 CB THR A 20 1.418 -15.212 -3.260 1.00 37.01 C +ATOM 87 OG1 THR A 20 2.152 -15.532 -4.447 1.00 38.87 O +ATOM 88 CG2 THR A 20 1.145 -13.732 -3.207 1.00 38.70 C +ATOM 89 N VAL A 21 2.490 -14.222 -0.153 1.00 36.09 N +ATOM 90 CA VAL A 21 2.103 -13.538 1.071 1.00 37.54 C +ATOM 91 C VAL A 21 1.878 -12.033 0.959 1.00 38.73 C +ATOM 92 O VAL A 21 2.660 -11.323 0.321 1.00 40.91 O +ATOM 93 CB VAL A 21 3.197 -13.697 2.146 1.00 38.48 C +ATOM 94 CG1 VAL A 21 2.697 -13.160 3.466 1.00 38.02 C +ATOM 95 CG2 VAL A 21 3.644 -15.141 2.250 1.00 39.43 C +ATOM 96 N GLU A 22 0.826 -11.531 1.595 1.00 38.61 N +ATOM 97 CA GLU A 22 0.602 -10.090 1.594 1.00 37.44 C +ATOM 98 C GLU A 22 0.512 -9.638 3.034 1.00 34.94 C +ATOM 99 O GLU A 22 0.200 -10.432 3.913 1.00 35.55 O +ATOM 100 CB GLU A 22 -0.643 -9.674 0.804 1.00 39.59 C +ATOM 101 CG GLU A 22 -1.801 -10.623 0.823 1.00 48.68 C +ATOM 102 CD GLU A 22 -3.103 -9.941 0.417 1.00 53.88 C +ATOM 103 OE1 GLU A 22 -4.156 -10.629 0.481 1.00 56.79 O +ATOM 104 OE2 GLU A 22 -3.071 -8.728 0.048 1.00 53.78 O +ATOM 105 N LYS A 23 0.818 -8.375 3.281 1.00 31.52 N +ATOM 106 CA LYS A 23 0.799 -7.888 4.625 1.00 31.02 C +ATOM 107 C LYS A 23 0.425 -6.415 4.731 1.00 33.27 C +ATOM 108 O LYS A 23 0.317 -5.697 3.731 1.00 32.95 O +ATOM 109 CB LYS A 23 2.171 -8.110 5.248 1.00 31.12 C +ATOM 110 CG LYS A 23 3.223 -7.112 4.784 1.00 30.72 C +ATOM 111 CD LYS A 23 4.605 -7.438 5.320 1.00 31.65 C +ATOM 112 CE LYS A 23 5.664 -6.548 4.700 1.00 29.44 C +ATOM 113 NZ LYS A 23 5.233 -5.144 4.759 1.00 29.70 N +ATOM 114 N GLN A 24 0.226 -6.001 5.977 1.00 35.65 N +ATOM 115 CA GLN A 24 -0.116 -4.648 6.349 1.00 40.17 C +ATOM 116 C GLN A 24 1.133 -3.788 6.180 1.00 41.34 C +ATOM 117 O GLN A 24 2.233 -4.206 6.490 1.00 42.05 O +ATOM 118 CB GLN A 24 -0.545 -4.603 7.822 1.00 45.87 C +ATOM 119 CG GLN A 24 -1.781 -5.435 8.234 1.00 50.23 C +ATOM 120 CD GLN A 24 -1.980 -5.478 9.774 1.00 54.08 C +ATOM 121 OE1 GLN A 24 -2.964 -6.055 10.282 1.00 53.32 O +ATOM 122 NE2 GLN A 24 -1.035 -4.866 10.517 1.00 53.78 N +ATOM 123 N ASP A 25 0.951 -2.569 5.720 1.00 42.82 N +ATOM 124 CA ASP A 25 2.067 -1.668 5.505 1.00 45.30 C +ATOM 125 C ASP A 25 3.097 -1.523 6.625 1.00 45.27 C +ATOM 126 O ASP A 25 4.272 -1.313 6.353 1.00 46.33 O +ATOM 127 CB ASP A 25 1.525 -0.288 5.151 1.00 47.83 C +ATOM 128 CG ASP A 25 0.498 -0.346 4.050 1.00 48.85 C +ATOM 129 OD1 ASP A 25 0.785 0.163 2.942 1.00 49.32 O +ATOM 130 OD2 ASP A 25 -0.590 -0.913 4.303 1.00 49.46 O +ATOM 131 N ASN A 26 2.688 -1.615 7.879 1.00 46.02 N +ATOM 132 CA ASN A 26 3.677 -1.442 8.940 1.00 47.00 C +ATOM 133 C ASN A 26 3.993 -2.678 9.812 1.00 46.75 C +ATOM 134 O ASN A 26 4.346 -2.545 10.991 1.00 47.36 O +ATOM 135 CB ASN A 26 3.273 -0.250 9.822 1.00 47.85 C +ATOM 136 CG ASN A 26 4.474 0.504 10.371 1.00 48.93 C +ATOM 137 OD1 ASN A 26 5.402 0.846 9.629 1.00 50.97 O +ATOM 138 ND2 ASN A 26 4.460 0.780 11.669 1.00 48.26 N +ATOM 139 N GLU A 27 3.856 -3.869 9.230 1.00 46.25 N +ATOM 140 CA GLU A 27 4.161 -5.126 9.916 1.00 43.84 C +ATOM 141 C GLU A 27 5.151 -5.923 9.070 1.00 42.37 C +ATOM 142 O GLU A 27 5.403 -5.586 7.912 1.00 41.17 O +ATOM 143 CB GLU A 27 2.902 -5.958 10.122 1.00 42.33 C +ATOM 144 CG GLU A 27 2.216 -6.379 8.847 1.00 44.23 C +ATOM 145 CD GLU A 27 0.926 -7.132 9.110 1.00 43.33 C +ATOM 146 OE1 GLU A 27 0.553 -7.264 10.284 1.00 43.93 O +ATOM 147 OE2 GLU A 27 0.278 -7.592 8.153 1.00 44.01 O +ATOM 148 N THR A 28 5.720 -6.969 9.650 1.00 40.64 N +ATOM 149 CA THR A 28 6.650 -7.803 8.899 1.00 40.56 C +ATOM 150 C THR A 28 5.868 -9.020 8.359 1.00 39.59 C +ATOM 151 O THR A 28 4.783 -9.346 8.879 1.00 40.19 O +ATOM 152 CB THR A 28 7.860 -8.259 9.794 1.00 40.57 C +ATOM 153 OG1 THR A 28 7.416 -9.132 10.841 1.00 38.81 O +ATOM 154 CG2 THR A 28 8.522 -7.050 10.421 1.00 40.98 C +ATOM 155 N PHE A 29 6.381 -9.668 7.309 1.00 36.28 N +ATOM 156 CA PHE A 29 5.700 -10.844 6.762 1.00 34.26 C +ATOM 157 C PHE A 29 5.596 -11.918 7.818 1.00 34.14 C +ATOM 158 O PHE A 29 4.750 -12.786 7.730 1.00 35.25 O +ATOM 159 CB PHE A 29 6.425 -11.397 5.548 1.00 31.81 C +ATOM 160 CG PHE A 29 6.252 -10.562 4.327 1.00 28.03 C +ATOM 161 CD1 PHE A 29 7.332 -9.897 3.767 1.00 26.18 C +ATOM 162 CD2 PHE A 29 5.006 -10.428 3.747 1.00 25.56 C +ATOM 163 CE1 PHE A 29 7.166 -9.115 2.656 1.00 25.00 C +ATOM 164 CE2 PHE A 29 4.834 -9.651 2.640 1.00 25.86 C +ATOM 165 CZ PHE A 29 5.924 -8.983 2.086 1.00 24.15 C +ATOM 166 N GLY A 30 6.483 -11.870 8.800 1.00 33.03 N +ATOM 167 CA GLY A 30 6.400 -12.805 9.894 1.00 34.50 C +ATOM 168 C GLY A 30 7.348 -13.965 9.980 1.00 35.70 C +ATOM 169 O GLY A 30 7.096 -14.886 10.744 1.00 36.95 O +ATOM 170 N PHE A 31 8.435 -13.928 9.226 1.00 37.11 N +ATOM 171 CA PHE A 31 9.401 -15.015 9.234 1.00 37.18 C +ATOM 172 C PHE A 31 10.801 -14.480 9.338 1.00 39.11 C +ATOM 173 O PHE A 31 11.028 -13.286 9.155 1.00 41.02 O +ATOM 174 CB PHE A 31 9.274 -15.854 7.962 1.00 36.95 C +ATOM 175 CG PHE A 31 9.475 -15.082 6.677 1.00 34.05 C +ATOM 176 CD1 PHE A 31 10.743 -14.811 6.198 1.00 34.78 C +ATOM 177 CD2 PHE A 31 8.384 -14.686 5.911 1.00 35.75 C +ATOM 178 CE1 PHE A 31 10.924 -14.164 4.964 1.00 34.29 C +ATOM 179 CE2 PHE A 31 8.567 -14.032 4.677 1.00 35.64 C +ATOM 180 CZ PHE A 31 9.840 -13.779 4.211 1.00 32.42 C +ATOM 181 N GLU A 32 11.736 -15.379 9.616 1.00 38.51 N +ATOM 182 CA GLU A 32 13.145 -15.037 9.755 1.00 37.00 C +ATOM 183 C GLU A 32 13.997 -15.923 8.833 1.00 35.43 C +ATOM 184 O GLU A 32 13.769 -17.142 8.732 1.00 32.90 O +ATOM 185 CB GLU A 32 13.565 -15.280 11.190 1.00 38.73 C +ATOM 186 CG GLU A 32 12.734 -14.536 12.194 1.00 44.97 C +ATOM 187 CD GLU A 32 13.216 -13.119 12.383 1.00 48.43 C +ATOM 188 OE1 GLU A 32 12.615 -12.409 13.217 1.00 50.20 O +ATOM 189 OE2 GLU A 32 14.196 -12.723 11.698 1.00 48.74 O +ATOM 190 N ILE A 33 14.967 -15.331 8.147 1.00 32.81 N +ATOM 191 CA ILE A 33 15.793 -16.170 7.320 1.00 34.05 C +ATOM 192 C ILE A 33 17.186 -16.373 7.860 1.00 34.60 C +ATOM 193 O ILE A 33 17.571 -15.811 8.889 1.00 35.95 O +ATOM 194 CB ILE A 33 15.873 -15.711 5.859 1.00 35.16 C +ATOM 195 CG1 ILE A 33 16.495 -14.333 5.772 1.00 35.93 C +ATOM 196 CG2 ILE A 33 14.504 -15.807 5.218 1.00 34.83 C +ATOM 197 CD1 ILE A 33 16.729 -13.915 4.340 1.00 41.55 C +ATOM 198 N GLN A 34 17.966 -17.163 7.137 1.00 34.18 N +ATOM 199 CA GLN A 34 19.267 -17.509 7.623 1.00 30.81 C +ATOM 200 C GLN A 34 20.111 -18.095 6.529 1.00 29.84 C +ATOM 201 O GLN A 34 19.769 -19.117 5.986 1.00 31.69 O +ATOM 202 CB GLN A 34 19.041 -18.539 8.727 1.00 33.07 C +ATOM 203 CG GLN A 34 19.511 -18.122 10.050 1.00 34.61 C +ATOM 204 CD GLN A 34 20.969 -17.879 10.004 1.00 34.32 C +ATOM 205 OE1 GLN A 34 21.521 -17.128 10.811 1.00 33.80 O +ATOM 206 NE2 GLN A 34 21.625 -18.517 9.039 1.00 35.14 N +ATOM 207 N SER A 35 21.216 -17.466 6.194 1.00 30.85 N +ATOM 208 CA SER A 35 22.080 -18.018 5.166 1.00 34.14 C +ATOM 209 C SER A 35 23.018 -19.052 5.769 1.00 33.90 C +ATOM 210 O SER A 35 23.583 -18.821 6.825 1.00 33.91 O +ATOM 211 CB SER A 35 22.911 -16.921 4.514 1.00 35.97 C +ATOM 212 OG SER A 35 22.296 -16.449 3.329 1.00 40.44 O +ATOM 213 N TYR A 36 23.185 -20.194 5.107 1.00 34.76 N +ATOM 214 CA TYR A 36 24.077 -21.217 5.644 1.00 35.76 C +ATOM 215 C TYR A 36 25.098 -21.634 4.657 1.00 36.10 C +ATOM 216 O TYR A 36 24.746 -22.020 3.561 1.00 38.10 O +ATOM 217 CB TYR A 36 23.331 -22.469 6.064 1.00 34.02 C +ATOM 218 CG TYR A 36 22.435 -22.232 7.222 1.00 37.10 C +ATOM 219 CD1 TYR A 36 21.146 -21.727 7.028 1.00 36.41 C +ATOM 220 CD2 TYR A 36 22.887 -22.436 8.522 1.00 34.72 C +ATOM 221 CE1 TYR A 36 20.340 -21.426 8.082 1.00 38.44 C +ATOM 222 CE2 TYR A 36 22.079 -22.134 9.603 1.00 38.94 C +ATOM 223 CZ TYR A 36 20.800 -21.621 9.378 1.00 41.43 C +ATOM 224 OH TYR A 36 19.984 -21.279 10.448 1.00 45.77 O +ATOM 225 N ARG A 37 26.361 -21.578 5.064 1.00 36.69 N +ATOM 226 CA ARG A 37 27.460 -21.980 4.207 1.00 37.03 C +ATOM 227 C ARG A 37 27.996 -23.349 4.593 1.00 37.18 C +ATOM 228 O ARG A 37 28.162 -23.666 5.774 1.00 36.38 O +ATOM 229 CB ARG A 37 28.604 -20.969 4.273 1.00 38.64 C +ATOM 230 CG ARG A 37 28.573 -19.926 3.175 1.00 43.26 C +ATOM 231 CD ARG A 37 29.841 -19.091 3.199 1.00 45.43 C +ATOM 232 NE ARG A 37 30.187 -18.582 1.879 1.00 49.37 N +ATOM 233 CZ ARG A 37 30.336 -19.340 0.789 1.00 52.36 C +ATOM 234 NH1 ARG A 37 30.162 -20.657 0.843 1.00 53.75 N +ATOM 235 NH2 ARG A 37 30.687 -18.782 -0.365 1.00 54.43 N +ATOM 236 N PRO A 38 28.248 -24.191 3.588 1.00 37.21 N +ATOM 237 CA PRO A 38 28.776 -25.543 3.760 1.00 37.97 C +ATOM 238 C PRO A 38 30.299 -25.561 3.892 1.00 39.61 C +ATOM 239 O PRO A 38 30.998 -25.106 3.004 1.00 40.14 O +ATOM 240 CB PRO A 38 28.308 -26.250 2.485 1.00 37.88 C +ATOM 241 CG PRO A 38 28.293 -25.157 1.484 1.00 36.64 C +ATOM 242 CD PRO A 38 27.646 -24.040 2.251 1.00 35.43 C +ATOM 243 N GLN A 39 30.802 -26.098 4.997 1.00 42.33 N +ATOM 244 CA GLN A 39 32.247 -26.194 5.253 1.00 44.57 C +ATOM 245 C GLN A 39 32.680 -27.585 4.855 1.00 43.84 C +ATOM 246 O GLN A 39 33.269 -28.287 5.662 1.00 45.78 O +ATOM 247 CB GLN A 39 32.516 -26.059 6.757 1.00 46.45 C +ATOM 248 CG GLN A 39 31.579 -25.140 7.472 1.00 46.64 C +ATOM 249 CD GLN A 39 31.664 -23.761 6.895 1.00 48.74 C +ATOM 250 OE1 GLN A 39 31.065 -23.474 5.853 1.00 46.94 O +ATOM 251 NE2 GLN A 39 32.449 -22.896 7.546 1.00 48.74 N +ATOM 252 N ASN A 40 32.418 -28.007 3.636 1.00 44.43 N +ATOM 253 CA ASN A 40 32.743 -29.391 3.320 1.00 46.10 C +ATOM 254 C ASN A 40 32.517 -29.844 1.889 1.00 47.67 C +ATOM 255 O ASN A 40 31.394 -30.078 1.447 1.00 47.65 O +ATOM 256 CB ASN A 40 31.938 -30.308 4.252 1.00 48.40 C +ATOM 257 CG ASN A 40 30.540 -29.719 4.616 1.00 46.66 C +ATOM 258 OD1 ASN A 40 29.712 -30.378 5.235 1.00 44.49 O +ATOM 259 ND2 ASN A 40 30.299 -28.480 4.227 1.00 46.20 N +ATOM 260 N GLN A 41 33.615 -29.980 1.176 1.00 50.13 N +ATOM 261 CA GLN A 41 33.605 -30.438 -0.189 1.00 52.40 C +ATOM 262 C GLN A 41 33.459 -31.947 -0.077 1.00 52.83 C +ATOM 263 O GLN A 41 34.139 -32.576 0.741 1.00 53.19 O +ATOM 264 CB GLN A 41 34.930 -30.073 -0.835 1.00 56.06 C +ATOM 265 CG GLN A 41 36.121 -30.341 0.097 1.00 61.12 C +ATOM 266 CD GLN A 41 36.419 -29.217 1.093 1.00 62.17 C +ATOM 267 OE1 GLN A 41 35.563 -28.799 1.868 1.00 62.56 O +ATOM 268 NE2 GLN A 41 37.656 -28.735 1.074 1.00 64.74 N +ATOM 269 N ASN A 42 32.546 -32.508 -0.868 1.00 52.95 N +ATOM 270 CA ASN A 42 32.271 -33.941 -0.888 1.00 53.91 C +ATOM 271 C ASN A 42 31.198 -34.249 -1.931 1.00 55.01 C +ATOM 272 O ASN A 42 30.862 -33.395 -2.753 1.00 55.02 O +ATOM 273 CB ASN A 42 31.814 -34.446 0.490 1.00 53.34 C +ATOM 274 CG ASN A 42 30.570 -33.744 0.986 1.00 56.14 C +ATOM 275 OD1 ASN A 42 29.609 -33.562 0.237 1.00 55.64 O +ATOM 276 ND2 ASN A 42 30.573 -33.353 2.260 1.00 57.06 N +ATOM 277 N ALA A 43 30.671 -35.474 -1.876 1.00 56.03 N +ATOM 278 CA ALA A 43 29.656 -35.998 -2.800 1.00 55.11 C +ATOM 279 C ALA A 43 28.408 -35.155 -3.058 1.00 55.44 C +ATOM 280 O ALA A 43 27.645 -35.436 -3.974 1.00 54.69 O +ATOM 281 CB ALA A 43 29.241 -37.388 -2.341 1.00 53.47 C +ATOM 282 N CYS A 44 28.199 -34.118 -2.265 1.00 57.03 N +ATOM 283 CA CYS A 44 27.022 -33.287 -2.435 1.00 57.69 C +ATOM 284 C CYS A 44 27.286 -32.013 -3.201 1.00 59.31 C +ATOM 285 O CYS A 44 27.770 -32.031 -4.338 1.00 60.39 O +ATOM 286 CB CYS A 44 26.450 -32.965 -1.073 1.00 56.84 C +ATOM 287 SG CYS A 44 26.153 -34.471 -0.170 1.00 59.11 S +ATOM 288 N SER A 45 26.955 -30.892 -2.586 1.00 60.61 N +ATOM 289 CA SER A 45 27.173 -29.636 -3.259 1.00 61.42 C +ATOM 290 C SER A 45 27.293 -28.457 -2.329 1.00 60.37 C +ATOM 291 O SER A 45 26.539 -28.300 -1.379 1.00 57.21 O +ATOM 292 CB SER A 45 26.082 -29.405 -4.307 1.00 64.59 C +ATOM 293 OG SER A 45 26.152 -30.403 -5.325 1.00 67.86 O +ATOM 294 N SER A 46 28.289 -27.646 -2.654 1.00 61.33 N +ATOM 295 CA SER A 46 28.686 -26.442 -1.950 1.00 61.83 C +ATOM 296 C SER A 46 27.861 -25.184 -2.246 1.00 62.37 C +ATOM 297 O SER A 46 26.943 -25.192 -3.068 1.00 63.64 O +ATOM 298 CB SER A 46 30.141 -26.192 -2.309 1.00 62.63 C +ATOM 299 OG SER A 46 30.362 -26.616 -3.651 1.00 58.52 O +ATOM 300 N GLU A 47 28.213 -24.105 -1.550 1.00 63.26 N +ATOM 301 CA GLU A 47 27.582 -22.779 -1.676 1.00 62.49 C +ATOM 302 C GLU A 47 26.271 -22.448 -0.920 1.00 60.72 C +ATOM 303 O GLU A 47 25.472 -23.307 -0.504 1.00 59.68 O +ATOM 304 CB GLU A 47 27.383 -22.413 -3.157 1.00 64.26 C +ATOM 305 CG GLU A 47 27.120 -20.927 -3.397 1.00 65.08 C +ATOM 306 CD GLU A 47 28.340 -20.192 -3.930 1.00 66.95 C +ATOM 307 OE1 GLU A 47 28.335 -18.936 -3.942 1.00 65.93 O +ATOM 308 OE2 GLU A 47 29.300 -20.877 -4.352 1.00 67.24 O +ATOM 309 N MET A 48 26.113 -21.140 -0.777 1.00 57.24 N +ATOM 310 CA MET A 48 25.017 -20.442 -0.143 1.00 54.06 C +ATOM 311 C MET A 48 23.623 -21.020 -0.303 1.00 52.85 C +ATOM 312 O MET A 48 23.247 -21.512 -1.367 1.00 52.99 O +ATOM 313 CB MET A 48 24.989 -19.018 -0.712 1.00 53.06 C +ATOM 314 CG MET A 48 24.778 -17.902 0.276 1.00 51.37 C +ATOM 315 SD MET A 48 26.103 -17.788 1.449 1.00 48.03 S +ATOM 316 CE MET A 48 25.323 -18.643 2.777 1.00 48.17 C +ATOM 317 N PHE A 49 22.857 -20.926 0.776 1.00 50.42 N +ATOM 318 CA PHE A 49 21.460 -21.303 0.774 1.00 46.16 C +ATOM 319 C PHE A 49 20.801 -20.713 2.009 1.00 43.69 C +ATOM 320 O PHE A 49 21.355 -20.740 3.101 1.00 44.96 O +ATOM 321 CB PHE A 49 21.272 -22.815 0.627 1.00 46.95 C +ATOM 322 CG PHE A 49 21.254 -23.592 1.906 1.00 47.16 C +ATOM 323 CD1 PHE A 49 22.385 -23.701 2.696 1.00 46.68 C +ATOM 324 CD2 PHE A 49 20.136 -24.349 2.238 1.00 45.59 C +ATOM 325 CE1 PHE A 49 22.399 -24.573 3.799 1.00 48.24 C +ATOM 326 CE2 PHE A 49 20.151 -25.214 3.329 1.00 46.32 C +ATOM 327 CZ PHE A 49 21.281 -25.331 4.110 1.00 44.74 C +ATOM 328 N THR A 50 19.640 -20.113 1.796 1.00 40.22 N +ATOM 329 CA THR A 50 18.897 -19.453 2.843 1.00 37.43 C +ATOM 330 C THR A 50 17.664 -20.211 3.268 1.00 37.34 C +ATOM 331 O THR A 50 16.930 -20.740 2.447 1.00 39.65 O +ATOM 332 CB THR A 50 18.459 -18.080 2.381 1.00 36.87 C +ATOM 333 OG1 THR A 50 19.592 -17.374 1.866 1.00 34.02 O +ATOM 334 CG2 THR A 50 17.850 -17.300 3.539 1.00 36.39 C +ATOM 335 N LEU A 51 17.421 -20.243 4.567 1.00 37.64 N +ATOM 336 CA LEU A 51 16.262 -20.944 5.096 1.00 39.26 C +ATOM 337 C LEU A 51 15.436 -20.093 6.064 1.00 39.66 C +ATOM 338 O LEU A 51 15.952 -19.201 6.719 1.00 38.14 O +ATOM 339 CB LEU A 51 16.730 -22.225 5.801 1.00 40.09 C +ATOM 340 CG LEU A 51 16.278 -22.602 7.224 1.00 39.23 C +ATOM 341 CD1 LEU A 51 16.781 -24.011 7.460 1.00 40.92 C +ATOM 342 CD2 LEU A 51 16.807 -21.657 8.311 1.00 35.08 C +ATOM 343 N ILE A 52 14.143 -20.368 6.139 1.00 41.46 N +ATOM 344 CA ILE A 52 13.288 -19.661 7.074 1.00 44.07 C +ATOM 345 C ILE A 52 13.688 -20.293 8.402 1.00 46.93 C +ATOM 346 O ILE A 52 13.804 -21.515 8.483 1.00 47.73 O +ATOM 347 CB ILE A 52 11.806 -19.958 6.782 1.00 43.13 C +ATOM 348 CG1 ILE A 52 11.436 -19.411 5.399 1.00 44.02 C +ATOM 349 CG2 ILE A 52 10.933 -19.364 7.863 1.00 42.78 C +ATOM 350 CD1 ILE A 52 9.960 -19.545 5.041 1.00 44.42 C +ATOM 351 N CYS A 53 13.945 -19.502 9.436 1.00 49.10 N +ATOM 352 CA CYS A 53 14.323 -20.128 10.706 1.00 51.31 C +ATOM 353 C CYS A 53 13.274 -19.944 11.787 1.00 52.11 C +ATOM 354 O CYS A 53 13.181 -20.748 12.709 1.00 52.50 O +ATOM 355 CB CYS A 53 15.714 -19.654 11.204 1.00 51.59 C +ATOM 356 SG CYS A 53 16.159 -17.884 11.080 1.00 53.36 S +ATOM 357 N LYS A 54 12.464 -18.901 11.660 1.00 52.24 N +ATOM 358 CA LYS A 54 11.422 -18.648 12.642 1.00 52.14 C +ATOM 359 C LYS A 54 10.173 -18.096 11.967 1.00 51.32 C +ATOM 360 O LYS A 54 10.257 -17.286 11.038 1.00 50.67 O +ATOM 361 CB LYS A 54 11.913 -17.655 13.704 1.00 52.97 C +ATOM 362 CG LYS A 54 11.873 -18.188 15.118 1.00 55.43 C +ATOM 363 CD LYS A 54 12.638 -19.501 15.226 1.00 57.98 C +ATOM 364 CE LYS A 54 13.015 -19.851 16.684 1.00 59.39 C +ATOM 365 NZ LYS A 54 13.976 -21.010 16.757 1.00 58.80 N +ATOM 366 N ILE A 55 9.018 -18.546 12.447 1.00 49.27 N +ATOM 367 CA ILE A 55 7.755 -18.097 11.928 1.00 47.87 C +ATOM 368 C ILE A 55 6.871 -17.623 13.056 1.00 47.48 C +ATOM 369 O ILE A 55 6.663 -18.327 14.012 1.00 47.11 O +ATOM 370 CB ILE A 55 7.074 -19.204 11.152 1.00 48.76 C +ATOM 371 CG1 ILE A 55 7.934 -19.528 9.930 1.00 51.80 C +ATOM 372 CG2 ILE A 55 5.672 -18.774 10.723 1.00 49.11 C +ATOM 373 CD1 ILE A 55 7.241 -20.355 8.851 1.00 53.59 C +ATOM 374 N GLN A 56 6.371 -16.404 12.936 1.00 48.96 N +ATOM 375 CA GLN A 56 5.515 -15.816 13.940 1.00 51.51 C +ATOM 376 C GLN A 56 4.142 -16.433 13.811 1.00 53.42 C +ATOM 377 O GLN A 56 3.573 -16.445 12.723 1.00 53.04 O +ATOM 378 CB GLN A 56 5.429 -14.301 13.721 1.00 52.52 C +ATOM 379 CG GLN A 56 5.918 -13.456 14.885 1.00 54.61 C +ATOM 380 CD GLN A 56 7.384 -13.706 15.216 1.00 58.47 C +ATOM 381 OE1 GLN A 56 7.752 -13.873 16.388 1.00 57.62 O +ATOM 382 NE2 GLN A 56 8.234 -13.727 14.180 1.00 58.49 N +ATOM 383 N GLU A 57 3.609 -16.963 14.910 1.00 56.15 N +ATOM 384 CA GLU A 57 2.275 -17.568 14.865 1.00 58.06 C +ATOM 385 C GLU A 57 1.265 -16.509 14.451 1.00 57.40 C +ATOM 386 O GLU A 57 1.360 -15.358 14.877 1.00 57.92 O +ATOM 387 CB GLU A 57 1.896 -18.144 16.234 1.00 60.67 C +ATOM 388 CG GLU A 57 0.374 -18.381 16.482 1.00 64.39 C +ATOM 389 CD GLU A 57 -0.299 -19.375 15.516 1.00 66.08 C +ATOM 390 OE1 GLU A 57 0.220 -20.498 15.323 1.00 65.60 O +ATOM 391 OE2 GLU A 57 -1.371 -19.035 14.964 1.00 65.71 O +ATOM 392 N ASP A 58 0.321 -16.897 13.599 1.00 56.44 N +ATOM 393 CA ASP A 58 -0.733 -15.994 13.123 1.00 55.90 C +ATOM 394 C ASP A 58 -0.325 -14.965 12.059 1.00 54.64 C +ATOM 395 O ASP A 58 -1.167 -14.464 11.325 1.00 53.92 O +ATOM 396 CB ASP A 58 -1.386 -15.290 14.317 1.00 57.98 C +ATOM 397 CG ASP A 58 -2.016 -16.276 15.306 1.00 60.37 C +ATOM 398 OD1 ASP A 58 -2.845 -17.115 14.880 1.00 58.97 O +ATOM 399 OD2 ASP A 58 -1.679 -16.209 16.511 1.00 61.91 O +ATOM 400 N SER A 59 0.969 -14.664 11.979 1.00 54.34 N +ATOM 401 CA SER A 59 1.526 -13.730 11.001 1.00 51.35 C +ATOM 402 C SER A 59 1.175 -14.134 9.569 1.00 50.46 C +ATOM 403 O SER A 59 0.865 -15.301 9.295 1.00 50.99 O +ATOM 404 CB SER A 59 3.025 -13.745 11.115 1.00 51.31 C +ATOM 405 OG SER A 59 3.472 -15.047 10.786 1.00 50.24 O +ATOM 406 N PRO A 60 1.244 -13.181 8.624 1.00 49.39 N +ATOM 407 CA PRO A 60 0.911 -13.546 7.242 1.00 49.45 C +ATOM 408 C PRO A 60 1.706 -14.743 6.666 1.00 49.43 C +ATOM 409 O PRO A 60 1.121 -15.638 6.045 1.00 49.68 O +ATOM 410 CB PRO A 60 1.089 -12.223 6.468 1.00 48.04 C +ATOM 411 CG PRO A 60 1.814 -11.303 7.417 1.00 47.45 C +ATOM 412 CD PRO A 60 1.376 -11.722 8.774 1.00 47.98 C +ATOM 413 N ALA A 61 3.018 -14.781 6.882 1.00 48.34 N +ATOM 414 CA ALA A 61 3.820 -15.904 6.405 1.00 47.99 C +ATOM 415 C ALA A 61 3.260 -17.213 6.927 1.00 48.20 C +ATOM 416 O ALA A 61 3.252 -18.213 6.224 1.00 49.37 O +ATOM 417 CB ALA A 61 5.249 -15.763 6.857 1.00 49.40 C +ATOM 418 N HIS A 62 2.808 -17.220 8.175 1.00 50.44 N +ATOM 419 CA HIS A 62 2.241 -18.439 8.732 1.00 52.21 C +ATOM 420 C HIS A 62 0.998 -18.756 7.931 1.00 52.92 C +ATOM 421 O HIS A 62 0.849 -19.868 7.402 1.00 53.29 O +ATOM 422 CB HIS A 62 1.842 -18.282 10.202 1.00 53.65 C +ATOM 423 CG HIS A 62 1.358 -19.561 10.825 1.00 56.86 C +ATOM 424 ND1 HIS A 62 0.487 -19.593 11.894 1.00 58.85 N +ATOM 425 CD2 HIS A 62 1.632 -20.856 10.528 1.00 57.07 C +ATOM 426 CE1 HIS A 62 0.246 -20.850 12.228 1.00 57.80 C +ATOM 427 NE2 HIS A 62 0.928 -21.637 11.415 1.00 56.69 N +ATOM 428 N CYS A 63 0.105 -17.772 7.842 1.00 50.76 N +ATOM 429 CA CYS A 63 -1.125 -17.961 7.093 1.00 50.34 C +ATOM 430 C CYS A 63 -0.891 -18.396 5.635 1.00 48.49 C +ATOM 431 O CYS A 63 -1.656 -19.176 5.087 1.00 48.94 O +ATOM 432 CB CYS A 63 -1.969 -16.683 7.132 1.00 51.80 C +ATOM 433 SG CYS A 63 -2.927 -16.451 8.661 1.00 56.41 S +ATOM 434 N ALA A 64 0.163 -17.912 5.001 1.00 45.37 N +ATOM 435 CA ALA A 64 0.382 -18.304 3.628 1.00 44.40 C +ATOM 436 C ALA A 64 0.706 -19.789 3.533 1.00 44.37 C +ATOM 437 O ALA A 64 0.579 -20.397 2.474 1.00 43.10 O +ATOM 438 CB ALA A 64 1.501 -17.485 3.028 1.00 45.22 C +ATOM 439 N GLY A 65 1.125 -20.373 4.645 1.00 43.56 N +ATOM 440 CA GLY A 65 1.465 -21.774 4.625 1.00 43.71 C +ATOM 441 C GLY A 65 2.960 -21.981 4.605 1.00 45.20 C +ATOM 442 O GLY A 65 3.447 -22.974 4.073 1.00 44.58 O +ATOM 443 N LEU A 66 3.699 -21.039 5.181 1.00 46.67 N +ATOM 444 CA LEU A 66 5.157 -21.147 5.227 1.00 47.66 C +ATOM 445 C LEU A 66 5.645 -21.840 6.490 1.00 48.29 C +ATOM 446 O LEU A 66 5.105 -21.632 7.563 1.00 49.01 O +ATOM 447 CB LEU A 66 5.786 -19.763 5.157 1.00 47.60 C +ATOM 448 CG LEU A 66 5.770 -19.078 3.798 1.00 48.29 C +ATOM 449 CD1 LEU A 66 6.573 -17.767 3.898 1.00 48.63 C +ATOM 450 CD2 LEU A 66 6.379 -20.017 2.750 1.00 45.62 C +ATOM 451 N GLN A 67 6.687 -22.645 6.389 1.00 48.97 N +ATOM 452 CA GLN A 67 7.162 -23.306 7.593 1.00 49.71 C +ATOM 453 C GLN A 67 8.659 -23.184 7.819 1.00 48.01 C +ATOM 454 O GLN A 67 9.427 -23.142 6.865 1.00 48.62 O +ATOM 455 CB GLN A 67 6.790 -24.777 7.549 1.00 52.61 C +ATOM 456 CG GLN A 67 5.316 -25.055 7.437 1.00 53.71 C +ATOM 457 CD GLN A 67 5.001 -26.472 7.859 1.00 54.91 C +ATOM 458 OE1 GLN A 67 4.989 -26.776 9.054 1.00 56.01 O +ATOM 459 NE2 GLN A 67 4.770 -27.358 6.885 1.00 55.27 N +ATOM 460 N ALA A 68 9.075 -23.154 9.083 1.00 45.75 N +ATOM 461 CA ALA A 68 10.500 -23.053 9.409 1.00 43.42 C +ATOM 462 C ALA A 68 11.201 -24.304 8.910 1.00 41.63 C +ATOM 463 O ALA A 68 10.888 -25.401 9.342 1.00 43.85 O +ATOM 464 CB ALA A 68 10.689 -22.907 10.896 1.00 44.22 C +ATOM 465 N GLY A 69 12.153 -24.120 8.006 1.00 39.03 N +ATOM 466 CA GLY A 69 12.856 -25.224 7.412 1.00 36.94 C +ATOM 467 C GLY A 69 12.736 -25.049 5.912 1.00 40.10 C +ATOM 468 O GLY A 69 13.533 -25.602 5.137 1.00 38.90 O +ATOM 469 N ASP A 70 11.729 -24.271 5.495 1.00 41.13 N +ATOM 470 CA ASP A 70 11.486 -24.001 4.078 1.00 41.34 C +ATOM 471 C ASP A 70 12.723 -23.358 3.454 1.00 40.93 C +ATOM 472 O ASP A 70 13.312 -22.457 4.058 1.00 40.92 O +ATOM 473 CB ASP A 70 10.303 -23.046 3.903 1.00 44.76 C +ATOM 474 CG ASP A 70 8.965 -23.765 3.787 1.00 48.62 C +ATOM 475 OD1 ASP A 70 8.935 -24.818 3.109 1.00 51.72 O +ATOM 476 OD2 ASP A 70 7.945 -23.271 4.347 1.00 47.90 O +ATOM 477 N VAL A 71 13.116 -23.802 2.256 1.00 38.79 N +ATOM 478 CA VAL A 71 14.278 -23.213 1.607 1.00 39.75 C +ATOM 479 C VAL A 71 13.918 -22.296 0.451 1.00 39.73 C +ATOM 480 O VAL A 71 13.363 -22.725 -0.551 1.00 41.50 O +ATOM 481 CB VAL A 71 15.261 -24.273 1.072 1.00 40.55 C +ATOM 482 CG1 VAL A 71 16.376 -23.576 0.267 1.00 39.21 C +ATOM 483 CG2 VAL A 71 15.876 -25.051 2.227 1.00 40.26 C +ATOM 484 N LEU A 72 14.274 -21.029 0.596 1.00 37.84 N +ATOM 485 CA LEU A 72 13.995 -20.009 -0.405 1.00 35.81 C +ATOM 486 C LEU A 72 14.772 -20.150 -1.719 1.00 34.42 C +ATOM 487 O LEU A 72 15.944 -19.816 -1.778 1.00 35.65 O +ATOM 488 CB LEU A 72 14.263 -18.635 0.221 1.00 33.50 C +ATOM 489 CG LEU A 72 13.107 -17.948 0.962 1.00 30.84 C +ATOM 490 CD1 LEU A 72 12.079 -18.911 1.463 1.00 27.97 C +ATOM 491 CD2 LEU A 72 13.688 -17.162 2.074 1.00 30.96 C +ATOM 492 N ALA A 73 14.107 -20.618 -2.771 1.00 32.37 N +ATOM 493 CA ALA A 73 14.744 -20.785 -4.084 1.00 32.22 C +ATOM 494 C ALA A 73 14.343 -19.684 -5.063 1.00 31.42 C +ATOM 495 O ALA A 73 15.127 -19.242 -5.891 1.00 31.80 O +ATOM 496 CB ALA A 73 14.382 -22.122 -4.667 1.00 33.26 C +ATOM 497 N ASN A 74 13.103 -19.238 -4.972 1.00 31.27 N +ATOM 498 CA ASN A 74 12.660 -18.186 -5.854 1.00 27.84 C +ATOM 499 C ASN A 74 11.862 -17.126 -5.179 1.00 25.50 C +ATOM 500 O ASN A 74 10.916 -17.417 -4.463 1.00 26.26 O +ATOM 501 CB ASN A 74 11.867 -18.764 -7.012 1.00 28.60 C +ATOM 502 CG ASN A 74 12.760 -19.179 -8.149 1.00 31.64 C +ATOM 503 OD1 ASN A 74 13.475 -18.354 -8.699 1.00 34.18 O +ATOM 504 ND2 ASN A 74 12.740 -20.459 -8.503 1.00 30.80 N +ATOM 505 N ILE A 75 12.261 -15.882 -5.383 1.00 23.51 N +ATOM 506 CA ILE A 75 11.488 -14.801 -4.820 1.00 24.66 C +ATOM 507 C ILE A 75 11.047 -13.900 -5.929 1.00 23.69 C +ATOM 508 O ILE A 75 11.862 -13.444 -6.696 1.00 26.14 O +ATOM 509 CB ILE A 75 12.262 -14.023 -3.814 1.00 25.34 C +ATOM 510 CG1 ILE A 75 12.329 -14.834 -2.509 1.00 26.73 C +ATOM 511 CG2 ILE A 75 11.580 -12.700 -3.594 1.00 27.73 C +ATOM 512 CD1 ILE A 75 13.481 -14.437 -1.600 1.00 24.71 C +ATOM 513 N ASN A 76 9.749 -13.649 -6.007 1.00 22.92 N +ATOM 514 CA ASN A 76 9.182 -12.822 -7.069 1.00 22.02 C +ATOM 515 C ASN A 76 9.791 -13.141 -8.410 1.00 23.74 C +ATOM 516 O ASN A 76 10.139 -12.228 -9.166 1.00 24.53 O +ATOM 517 CB ASN A 76 9.393 -11.359 -6.782 1.00 20.12 C +ATOM 518 CG ASN A 76 8.778 -10.947 -5.492 1.00 18.72 C +ATOM 519 OD1 ASN A 76 9.121 -9.922 -4.934 1.00 20.28 O +ATOM 520 ND2 ASN A 76 7.860 -11.746 -5.003 1.00 21.33 N +ATOM 521 N GLY A 77 9.933 -14.436 -8.692 1.00 24.16 N +ATOM 522 CA GLY A 77 10.474 -14.870 -9.967 1.00 27.95 C +ATOM 523 C GLY A 77 11.974 -14.671 -10.066 1.00 30.59 C +ATOM 524 O GLY A 77 12.566 -14.656 -11.143 1.00 31.71 O +ATOM 525 N VAL A 78 12.607 -14.527 -8.922 1.00 30.27 N +ATOM 526 CA VAL A 78 14.027 -14.318 -8.928 1.00 30.57 C +ATOM 527 C VAL A 78 14.766 -15.457 -8.233 1.00 32.07 C +ATOM 528 O VAL A 78 14.610 -15.675 -7.032 1.00 34.44 O +ATOM 529 CB VAL A 78 14.348 -12.950 -8.288 1.00 28.52 C +ATOM 530 CG1 VAL A 78 15.823 -12.705 -8.278 1.00 29.09 C +ATOM 531 CG2 VAL A 78 13.650 -11.846 -9.088 1.00 28.84 C +ATOM 532 N SER A 79 15.531 -16.218 -9.010 1.00 32.55 N +ATOM 533 CA SER A 79 16.323 -17.298 -8.445 1.00 34.21 C +ATOM 534 C SER A 79 17.282 -16.692 -7.403 1.00 36.69 C +ATOM 535 O SER A 79 17.972 -15.683 -7.643 1.00 34.40 O +ATOM 536 CB SER A 79 17.131 -18.013 -9.538 1.00 33.90 C +ATOM 537 OG SER A 79 17.896 -19.060 -8.972 1.00 29.94 O +ATOM 538 N THR A 80 17.343 -17.325 -6.248 1.00 38.24 N +ATOM 539 CA THR A 80 18.177 -16.796 -5.205 1.00 42.21 C +ATOM 540 C THR A 80 19.530 -17.424 -4.955 1.00 45.08 C +ATOM 541 O THR A 80 20.141 -17.114 -3.931 1.00 45.79 O +ATOM 542 CB THR A 80 17.431 -16.825 -3.886 1.00 40.89 C +ATOM 543 OG1 THR A 80 17.013 -18.172 -3.633 1.00 39.17 O +ATOM 544 CG2 THR A 80 16.221 -15.901 -3.933 1.00 38.52 C +ATOM 545 N GLU A 81 20.050 -18.278 -5.831 1.00 48.64 N +ATOM 546 CA GLU A 81 21.340 -18.831 -5.440 1.00 51.33 C +ATOM 547 C GLU A 81 22.516 -17.920 -5.658 1.00 49.69 C +ATOM 548 O GLU A 81 22.559 -17.134 -6.611 1.00 48.81 O +ATOM 549 CB GLU A 81 21.661 -20.170 -6.083 1.00 57.16 C +ATOM 550 CG GLU A 81 22.788 -20.837 -5.264 1.00 65.03 C +ATOM 551 CD GLU A 81 23.636 -21.821 -6.055 1.00 70.17 C +ATOM 552 OE1 GLU A 81 23.108 -22.905 -6.422 1.00 73.32 O +ATOM 553 OE2 GLU A 81 24.829 -21.504 -6.307 1.00 70.95 O +ATOM 554 N GLY A 82 23.486 -18.069 -4.763 1.00 47.95 N +ATOM 555 CA GLY A 82 24.681 -17.252 -4.794 1.00 46.37 C +ATOM 556 C GLY A 82 24.360 -15.974 -4.043 1.00 45.12 C +ATOM 557 O GLY A 82 25.187 -15.089 -3.871 1.00 48.62 O +ATOM 558 N PHE A 83 23.123 -15.876 -3.594 1.00 40.97 N +ATOM 559 CA PHE A 83 22.682 -14.713 -2.866 1.00 36.27 C +ATOM 560 C PHE A 83 23.252 -14.611 -1.464 1.00 33.42 C +ATOM 561 O PHE A 83 23.253 -15.571 -0.700 1.00 32.50 O +ATOM 562 CB PHE A 83 21.150 -14.724 -2.783 1.00 34.78 C +ATOM 563 CG PHE A 83 20.468 -14.063 -3.948 1.00 31.70 C +ATOM 564 CD1 PHE A 83 21.009 -14.136 -5.225 1.00 29.80 C +ATOM 565 CD2 PHE A 83 19.247 -13.400 -3.769 1.00 31.43 C +ATOM 566 CE1 PHE A 83 20.342 -13.565 -6.317 1.00 28.84 C +ATOM 567 CE2 PHE A 83 18.572 -12.831 -4.844 1.00 28.55 C +ATOM 568 CZ PHE A 83 19.122 -12.915 -6.123 1.00 28.69 C +ATOM 569 N THR A 84 23.720 -13.426 -1.117 1.00 31.44 N +ATOM 570 CA THR A 84 24.207 -13.195 0.239 1.00 28.78 C +ATOM 571 C THR A 84 22.935 -12.893 1.042 1.00 26.79 C +ATOM 572 O THR A 84 21.945 -12.458 0.468 1.00 25.13 O +ATOM 573 CB THR A 84 25.064 -11.963 0.304 1.00 28.86 C +ATOM 574 OG1 THR A 84 24.246 -10.828 -0.004 1.00 31.84 O +ATOM 575 CG2 THR A 84 26.196 -12.033 -0.709 1.00 28.18 C +ATOM 576 N TYR A 85 22.961 -13.143 2.350 1.00 25.96 N +ATOM 577 CA TYR A 85 21.835 -12.868 3.246 1.00 25.06 C +ATOM 578 C TYR A 85 21.186 -11.495 3.000 1.00 26.15 C +ATOM 579 O TYR A 85 19.970 -11.373 2.972 1.00 25.65 O +ATOM 580 CB TYR A 85 22.331 -12.883 4.681 1.00 27.85 C +ATOM 581 CG TYR A 85 21.273 -12.675 5.736 1.00 29.46 C +ATOM 582 CD1 TYR A 85 20.653 -13.767 6.324 1.00 31.64 C +ATOM 583 CD2 TYR A 85 20.914 -11.410 6.170 1.00 28.04 C +ATOM 584 CE1 TYR A 85 19.703 -13.624 7.326 1.00 32.76 C +ATOM 585 CE2 TYR A 85 19.957 -11.245 7.182 1.00 31.59 C +ATOM 586 CZ TYR A 85 19.355 -12.373 7.756 1.00 34.01 C +ATOM 587 OH TYR A 85 18.401 -12.293 8.763 1.00 37.49 O +ATOM 588 N LYS A 86 22.024 -10.473 2.840 1.00 26.08 N +ATOM 589 CA LYS A 86 21.600 -9.107 2.616 1.00 27.37 C +ATOM 590 C LYS A 86 20.884 -8.887 1.281 1.00 29.63 C +ATOM 591 O LYS A 86 19.974 -8.048 1.184 1.00 29.07 O +ATOM 592 CB LYS A 86 22.806 -8.186 2.721 1.00 29.16 C +ATOM 593 CG LYS A 86 22.559 -6.771 2.241 1.00 31.02 C +ATOM 594 CD LYS A 86 23.781 -5.930 2.438 1.00 34.39 C +ATOM 595 CE LYS A 86 23.702 -4.648 1.646 1.00 35.69 C +ATOM 596 NZ LYS A 86 22.401 -3.997 1.880 1.00 39.16 N +ATOM 597 N GLN A 87 21.297 -9.607 0.238 1.00 29.44 N +ATOM 598 CA GLN A 87 20.600 -9.483 -1.043 1.00 27.82 C +ATOM 599 C GLN A 87 19.171 -10.013 -0.843 1.00 26.72 C +ATOM 600 O GLN A 87 18.189 -9.354 -1.221 1.00 27.91 O +ATOM 601 CB GLN A 87 21.330 -10.263 -2.138 1.00 25.57 C +ATOM 602 CG GLN A 87 22.719 -9.721 -2.348 1.00 27.64 C +ATOM 603 CD GLN A 87 23.475 -10.439 -3.424 1.00 26.18 C +ATOM 604 OE1 GLN A 87 23.683 -9.910 -4.527 1.00 24.64 O +ATOM 605 NE2 GLN A 87 23.893 -11.658 -3.117 1.00 26.64 N +ATOM 606 N VAL A 88 19.058 -11.175 -0.219 1.00 22.99 N +ATOM 607 CA VAL A 88 17.755 -11.751 0.031 1.00 24.71 C +ATOM 608 C VAL A 88 16.908 -10.747 0.802 1.00 25.44 C +ATOM 609 O VAL A 88 15.744 -10.537 0.474 1.00 25.29 O +ATOM 610 CB VAL A 88 17.880 -13.074 0.831 1.00 24.79 C +ATOM 611 CG1 VAL A 88 16.514 -13.701 1.061 1.00 20.27 C +ATOM 612 CG2 VAL A 88 18.788 -14.023 0.074 1.00 21.63 C +ATOM 613 N VAL A 89 17.493 -10.108 1.813 1.00 25.96 N +ATOM 614 CA VAL A 89 16.752 -9.119 2.602 1.00 27.64 C +ATOM 615 C VAL A 89 16.416 -7.848 1.763 1.00 30.31 C +ATOM 616 O VAL A 89 15.293 -7.301 1.802 1.00 28.19 O +ATOM 617 CB VAL A 89 17.537 -8.740 3.873 1.00 26.21 C +ATOM 618 CG1 VAL A 89 16.816 -7.653 4.611 1.00 29.88 C +ATOM 619 CG2 VAL A 89 17.646 -9.944 4.794 1.00 25.34 C +ATOM 620 N ASP A 90 17.391 -7.378 0.998 1.00 29.99 N +ATOM 621 CA ASP A 90 17.141 -6.228 0.178 1.00 29.22 C +ATOM 622 C ASP A 90 16.020 -6.556 -0.836 1.00 31.34 C +ATOM 623 O ASP A 90 15.109 -5.759 -1.049 1.00 32.80 O +ATOM 624 CB ASP A 90 18.428 -5.792 -0.538 1.00 27.37 C +ATOM 625 CG ASP A 90 19.458 -5.145 0.411 1.00 27.47 C +ATOM 626 OD1 ASP A 90 19.082 -4.704 1.502 1.00 25.91 O +ATOM 627 OD2 ASP A 90 20.654 -5.052 0.060 1.00 28.21 O +ATOM 628 N LEU A 91 16.057 -7.726 -1.459 1.00 32.00 N +ATOM 629 CA LEU A 91 15.020 -8.032 -2.432 1.00 32.31 C +ATOM 630 C LEU A 91 13.656 -8.063 -1.751 1.00 32.39 C +ATOM 631 O LEU A 91 12.709 -7.455 -2.248 1.00 32.66 O +ATOM 632 CB LEU A 91 15.288 -9.377 -3.104 1.00 34.48 C +ATOM 633 CG LEU A 91 14.748 -9.658 -4.513 1.00 35.54 C +ATOM 634 CD1 LEU A 91 15.078 -11.080 -4.832 1.00 37.37 C +ATOM 635 CD2 LEU A 91 13.250 -9.466 -4.627 1.00 38.90 C +ATOM 636 N ILE A 92 13.546 -8.779 -0.628 1.00 30.67 N +ATOM 637 CA ILE A 92 12.283 -8.840 0.105 1.00 27.90 C +ATOM 638 C ILE A 92 11.761 -7.438 0.448 1.00 29.22 C +ATOM 639 O ILE A 92 10.562 -7.203 0.363 1.00 32.19 O +ATOM 640 CB ILE A 92 12.413 -9.662 1.414 1.00 28.33 C +ATOM 641 CG1 ILE A 92 12.662 -11.149 1.089 1.00 26.26 C +ATOM 642 CG2 ILE A 92 11.166 -9.445 2.284 1.00 21.60 C +ATOM 643 CD1 ILE A 92 12.885 -12.029 2.293 1.00 25.24 C +ATOM 644 N ARG A 93 12.631 -6.510 0.848 1.00 28.93 N +ATOM 645 CA ARG A 93 12.188 -5.137 1.124 1.00 29.73 C +ATOM 646 C ARG A 93 11.837 -4.435 -0.203 1.00 28.99 C +ATOM 647 O ARG A 93 11.070 -3.484 -0.251 1.00 28.93 O +ATOM 648 CB ARG A 93 13.284 -4.346 1.803 1.00 33.91 C +ATOM 649 CG ARG A 93 13.679 -4.831 3.185 1.00 41.77 C +ATOM 650 CD ARG A 93 14.815 -3.950 3.695 1.00 45.72 C +ATOM 651 NE ARG A 93 14.465 -2.530 3.617 1.00 47.24 N +ATOM 652 CZ ARG A 93 13.639 -1.930 4.472 1.00 49.55 C +ATOM 653 NH1 ARG A 93 13.360 -0.635 4.338 1.00 48.05 N +ATOM 654 NH2 ARG A 93 13.106 -2.630 5.479 1.00 50.15 N +ATOM 655 N SER A 94 12.408 -4.903 -1.294 1.00 27.41 N +ATOM 656 CA SER A 94 12.094 -4.308 -2.568 1.00 28.48 C +ATOM 657 C SER A 94 10.645 -4.646 -2.963 1.00 29.67 C +ATOM 658 O SER A 94 10.113 -4.053 -3.904 1.00 30.49 O +ATOM 659 CB SER A 94 13.059 -4.830 -3.654 1.00 27.93 C +ATOM 660 OG SER A 94 12.618 -6.059 -4.230 1.00 26.50 O +ATOM 661 N SER A 95 10.011 -5.569 -2.237 1.00 28.67 N +ATOM 662 CA SER A 95 8.661 -6.009 -2.563 1.00 31.10 C +ATOM 663 C SER A 95 7.482 -5.370 -1.874 1.00 30.78 C +ATOM 664 O SER A 95 6.368 -5.867 -2.004 1.00 30.16 O +ATOM 665 CB SER A 95 8.527 -7.521 -2.382 1.00 33.45 C +ATOM 666 OG SER A 95 9.410 -8.212 -3.250 1.00 40.14 O +ATOM 667 N GLY A 96 7.696 -4.296 -1.138 1.00 29.88 N +ATOM 668 CA GLY A 96 6.565 -3.650 -0.517 1.00 30.70 C +ATOM 669 C GLY A 96 5.793 -4.617 0.339 1.00 31.77 C +ATOM 670 O GLY A 96 6.390 -5.408 1.060 1.00 34.13 O +ATOM 671 N ASN A 97 4.472 -4.574 0.276 1.00 31.41 N +ATOM 672 CA ASN A 97 3.687 -5.481 1.098 1.00 32.51 C +ATOM 673 C ASN A 97 3.277 -6.761 0.391 1.00 32.38 C +ATOM 674 O ASN A 97 2.407 -7.466 0.855 1.00 35.42 O +ATOM 675 CB ASN A 97 2.447 -4.755 1.618 1.00 34.16 C +ATOM 676 CG ASN A 97 2.798 -3.465 2.308 1.00 37.78 C +ATOM 677 OD1 ASN A 97 3.642 -3.455 3.216 1.00 38.98 O +ATOM 678 ND2 ASN A 97 2.166 -2.359 1.887 1.00 37.40 N +ATOM 679 N LEU A 98 3.915 -7.080 -0.720 1.00 31.72 N +ATOM 680 CA LEU A 98 3.561 -8.273 -1.473 1.00 30.24 C +ATOM 681 C LEU A 98 4.799 -9.138 -1.650 1.00 30.07 C +ATOM 682 O LEU A 98 5.909 -8.639 -1.788 1.00 32.94 O +ATOM 683 CB LEU A 98 2.992 -7.850 -2.826 1.00 31.92 C +ATOM 684 CG LEU A 98 2.486 -8.937 -3.760 1.00 34.60 C +ATOM 685 CD1 LEU A 98 1.583 -9.914 -3.006 1.00 37.37 C +ATOM 686 CD2 LEU A 98 1.743 -8.287 -4.889 1.00 34.42 C +ATOM 687 N LEU A 99 4.630 -10.444 -1.644 1.00 30.21 N +ATOM 688 CA LEU A 99 5.794 -11.304 -1.782 1.00 29.58 C +ATOM 689 C LEU A 99 5.402 -12.655 -2.367 1.00 28.68 C +ATOM 690 O LEU A 99 4.417 -13.242 -1.960 1.00 28.95 O +ATOM 691 CB LEU A 99 6.423 -11.497 -0.399 1.00 29.55 C +ATOM 692 CG LEU A 99 7.870 -11.961 -0.241 1.00 31.09 C +ATOM 693 CD1 LEU A 99 8.790 -10.842 -0.705 1.00 32.96 C +ATOM 694 CD2 LEU A 99 8.177 -12.276 1.227 1.00 30.75 C +ATOM 695 N THR A 100 6.138 -13.138 -3.348 1.00 27.28 N +ATOM 696 CA THR A 100 5.827 -14.451 -3.870 1.00 28.66 C +ATOM 697 C THR A 100 7.066 -15.295 -3.651 1.00 28.47 C +ATOM 698 O THR A 100 8.184 -14.873 -3.940 1.00 27.43 O +ATOM 699 CB THR A 100 5.457 -14.456 -5.368 1.00 30.18 C +ATOM 700 OG1 THR A 100 4.165 -13.863 -5.554 1.00 30.04 O +ATOM 701 CG2 THR A 100 5.418 -15.898 -5.886 1.00 27.26 C +ATOM 702 N ILE A 101 6.852 -16.504 -3.156 1.00 28.63 N +ATOM 703 CA ILE A 101 7.955 -17.372 -2.840 1.00 28.59 C +ATOM 704 C ILE A 101 7.825 -18.821 -3.246 1.00 29.88 C +ATOM 705 O ILE A 101 6.863 -19.465 -2.895 1.00 30.75 O +ATOM 706 CB ILE A 101 8.195 -17.383 -1.320 1.00 26.99 C +ATOM 707 CG1 ILE A 101 7.965 -16.001 -0.703 1.00 24.03 C +ATOM 708 CG2 ILE A 101 9.589 -17.808 -1.056 1.00 30.51 C +ATOM 709 CD1 ILE A 101 8.459 -15.878 0.751 1.00 19.91 C +ATOM 710 N GLU A 102 8.804 -19.326 -3.985 1.00 33.35 N +ATOM 711 CA GLU A 102 8.847 -20.740 -4.341 1.00 37.02 C +ATOM 712 C GLU A 102 9.931 -21.328 -3.399 1.00 39.16 C +ATOM 713 O GLU A 102 11.113 -20.986 -3.483 1.00 36.79 O +ATOM 714 CB GLU A 102 9.245 -20.932 -5.804 1.00 38.42 C +ATOM 715 CG GLU A 102 9.469 -22.394 -6.195 1.00 43.20 C +ATOM 716 CD GLU A 102 9.590 -22.611 -7.709 1.00 49.07 C +ATOM 717 OE1 GLU A 102 10.396 -21.911 -8.375 1.00 50.94 O +ATOM 718 OE2 GLU A 102 8.877 -23.494 -8.239 1.00 51.23 O +ATOM 719 N THR A 103 9.522 -22.202 -2.490 1.00 41.06 N +ATOM 720 CA THR A 103 10.473 -22.762 -1.543 1.00 45.03 C +ATOM 721 C THR A 103 10.934 -24.156 -1.845 1.00 48.22 C +ATOM 722 O THR A 103 10.743 -24.679 -2.925 1.00 49.20 O +ATOM 723 CB THR A 103 9.902 -22.867 -0.129 1.00 44.11 C +ATOM 724 OG1 THR A 103 9.037 -24.004 -0.076 1.00 41.09 O +ATOM 725 CG2 THR A 103 9.127 -21.615 0.257 1.00 46.03 C +ATOM 726 N LEU A 104 11.528 -24.736 -0.808 1.00 53.13 N +ATOM 727 CA LEU A 104 12.064 -26.099 -0.758 1.00 55.52 C +ATOM 728 C LEU A 104 12.313 -26.424 0.727 1.00 56.01 C +ATOM 729 O LEU A 104 13.495 -26.524 1.124 1.00 56.10 O +ATOM 730 CB LEU A 104 13.378 -26.194 -1.522 1.00 55.58 C +ATOM 731 CG LEU A 104 13.243 -26.197 -3.030 1.00 56.29 C +ATOM 732 CD1 LEU A 104 14.642 -26.092 -3.668 1.00 56.70 C +ATOM 733 CD2 LEU A 104 12.504 -27.474 -3.445 1.00 53.59 C +ATOM 734 OXT LEU A 104 11.321 -26.551 1.484 1.00 56.86 O Added: SwiftApps/modFTdock/input/indata/3brt-2.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3brt-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3brt-2.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,798 @@ +ATOM 1 N SER A 705 -11.087 -4.860 -7.336 1.00 36.93 N +ATOM 2 CA SER A 705 -11.846 -3.574 -7.352 1.00 37.33 C +ATOM 3 C SER A 705 -13.298 -3.783 -6.932 1.00 37.32 C +ATOM 4 O SER A 705 -14.211 -3.490 -7.723 1.00 37.62 O +ATOM 5 CB SER A 705 -11.807 -2.978 -8.760 1.00 37.28 C +ATOM 6 OG SER A 705 -12.965 -2.193 -9.021 1.00 37.60 O +ATOM 7 N GLU A 706 -13.549 -4.083 -5.656 1.00 37.05 N +ATOM 8 CA GLU A 706 -13.004 -3.287 -4.561 1.00 36.64 C +ATOM 9 C GLU A 706 -11.870 -3.811 -3.676 1.00 36.46 C +ATOM 10 O GLU A 706 -11.799 -3.495 -2.486 1.00 36.03 O +ATOM 11 CB GLU A 706 -14.181 -2.699 -3.731 1.00 36.78 C +ATOM 12 CG GLU A 706 -14.982 -3.759 -2.894 1.00 35.83 C +ATOM 13 CD GLU A 706 -14.619 -3.573 -1.370 1.00 34.91 C +ATOM 14 OE1 GLU A 706 -14.980 -4.510 -0.511 1.00 33.03 O +ATOM 15 OE2 GLU A 706 -13.996 -2.497 -1.017 1.00 31.72 O +ATOM 16 N GLU A 707 -10.959 -4.578 -4.256 1.00 36.60 N +ATOM 17 CA GLU A 707 -9.650 -4.729 -3.640 1.00 36.94 C +ATOM 18 C GLU A 707 -8.986 -3.343 -3.710 1.00 37.41 C +ATOM 19 O GLU A 707 -8.377 -2.890 -2.733 1.00 37.62 O +ATOM 20 CB GLU A 707 -8.810 -5.722 -4.413 1.00 36.79 C +ATOM 21 CG GLU A 707 -9.441 -7.086 -4.549 1.00 38.56 C +ATOM 22 CD GLU A 707 -8.398 -8.174 -4.618 1.00 39.62 C +ATOM 23 OE1 GLU A 707 -8.512 -9.075 -5.494 1.00 41.09 O +ATOM 24 OE2 GLU A 707 -7.458 -8.115 -3.789 1.00 40.67 O +ATOM 25 N LEU A 708 -9.121 -2.709 -4.884 1.00 36.94 N +ATOM 26 CA LEU A 708 -8.653 -1.360 -5.164 1.00 37.53 C +ATOM 27 C LEU A 708 -9.193 -0.357 -4.173 1.00 37.97 C +ATOM 28 O LEU A 708 -8.415 0.371 -3.575 1.00 39.74 O +ATOM 29 CB LEU A 708 -9.033 -0.909 -6.586 1.00 36.53 C +ATOM 30 CG LEU A 708 -8.182 -1.498 -7.707 1.00 35.66 C +ATOM 31 CD1 LEU A 708 -8.632 -1.006 -9.066 1.00 33.92 C +ATOM 32 CD2 LEU A 708 -6.714 -1.185 -7.503 1.00 35.42 C +ATOM 33 N VAL A 709 -10.513 -0.317 -4.011 1.00 37.32 N +ATOM 34 CA VAL A 709 -11.154 0.629 -3.113 1.00 36.45 C +ATOM 35 C VAL A 709 -10.698 0.436 -1.672 1.00 36.63 C +ATOM 36 O VAL A 709 -10.607 1.388 -0.923 1.00 37.77 O +ATOM 37 CB VAL A 709 -12.696 0.543 -3.223 1.00 36.38 C +ATOM 38 CG1 VAL A 709 -13.395 1.270 -2.077 1.00 34.44 C +ATOM 39 CG2 VAL A 709 -13.136 1.112 -4.566 1.00 36.14 C +ATOM 40 N ALA A 710 -10.399 -0.790 -1.279 1.00 35.95 N +ATOM 41 CA ALA A 710 -9.931 -1.042 0.079 1.00 35.27 C +ATOM 42 C ALA A 710 -8.459 -0.688 0.180 1.00 34.67 C +ATOM 43 O ALA A 710 -8.011 -0.195 1.196 1.00 34.47 O +ATOM 44 CB ALA A 710 -10.161 -2.478 0.469 1.00 34.64 C +ATOM 45 N GLU A 711 -7.715 -0.914 -0.898 1.00 34.71 N +ATOM 46 CA GLU A 711 -6.291 -0.610 -0.913 1.00 35.08 C +ATOM 47 C GLU A 711 -6.068 0.896 -0.863 1.00 34.53 C +ATOM 48 O GLU A 711 -5.116 1.333 -0.272 1.00 34.81 O +ATOM 49 CB GLU A 711 -5.595 -1.226 -2.136 1.00 35.65 C +ATOM 50 N ALA A 712 -6.979 1.673 -1.429 1.00 33.62 N +ATOM 51 CA ALA A 712 -6.828 3.104 -1.453 1.00 34.94 C +ATOM 52 C ALA A 712 -7.088 3.710 -0.075 1.00 35.28 C +ATOM 53 O ALA A 712 -6.362 4.642 0.316 1.00 35.89 O +ATOM 54 CB ALA A 712 -7.696 3.773 -2.568 1.00 32.40 C +ATOM 55 N HIS A 713 -8.084 3.195 0.656 1.00 34.99 N +ATOM 56 CA HIS A 713 -8.430 3.741 1.983 1.00 35.79 C +ATOM 57 C HIS A 713 -7.274 3.473 2.926 1.00 35.76 C +ATOM 58 O HIS A 713 -6.949 4.303 3.764 1.00 37.63 O +ATOM 59 CB HIS A 713 -9.782 3.195 2.493 1.00 36.73 C +ATOM 60 CG HIS A 713 -9.955 3.213 3.984 1.00 37.67 C +ATOM 61 ND1 HIS A 713 -10.452 4.304 4.665 1.00 39.27 N +ATOM 62 CD2 HIS A 713 -9.763 2.244 4.917 1.00 38.34 C +ATOM 63 CE1 HIS A 713 -10.529 4.019 5.956 1.00 39.32 C +ATOM 64 NE2 HIS A 713 -10.109 2.778 6.136 1.00 38.10 N +ATOM 65 N ASN A 714 -6.579 2.367 2.709 1.00 35.21 N +ATOM 66 CA ASN A 714 -5.452 1.979 3.550 1.00 34.20 C +ATOM 67 C ASN A 714 -4.202 2.745 3.251 1.00 33.60 C +ATOM 68 O ASN A 714 -3.474 3.134 4.179 1.00 34.81 O +ATOM 69 CB ASN A 714 -5.200 0.452 3.450 1.00 35.44 C +ATOM 70 N LEU A 715 -3.940 2.965 1.955 1.00 32.55 N +ATOM 71 CA LEU A 715 -2.873 3.860 1.482 1.00 29.83 C +ATOM 72 C LEU A 715 -3.068 5.253 2.088 1.00 28.58 C +ATOM 73 O LEU A 715 -2.133 5.862 2.582 1.00 27.18 O +ATOM 74 CB LEU A 715 -2.573 3.724 0.400 0.00 58.34 C +ATOM 75 N CYS A 716 -4.298 5.746 2.047 1.00 28.61 N +ATOM 76 CA CYS A 716 -4.638 7.059 2.598 1.00 29.30 C +ATOM 77 C CYS A 716 -4.429 7.151 4.096 1.00 29.57 C +ATOM 78 O CYS A 716 -3.942 8.167 4.572 1.00 27.91 O +ATOM 79 CB CYS A 716 -6.070 7.408 2.287 1.00 28.71 C +ATOM 80 SG CYS A 716 -6.302 7.969 0.614 1.00 35.93 S +ATOM 81 N THR A 717 -4.787 6.076 4.822 1.00 30.78 N +ATOM 82 CA THR A 717 -4.619 6.036 6.286 1.00 32.48 C +ATOM 83 C THR A 717 -3.156 6.115 6.728 1.00 33.15 C +ATOM 84 O THR A 717 -2.807 6.836 7.645 1.00 32.30 O +ATOM 85 CB THR A 717 -5.284 4.779 6.885 1.00 32.57 C +ATOM 86 OG1 THR A 717 -6.670 4.777 6.528 1.00 33.96 O +ATOM 87 CG2 THR A 717 -5.150 4.759 8.437 1.00 33.38 C +ATOM 88 N LEU A 718 -2.329 5.340 6.050 1.00 35.68 N +ATOM 89 CA LEU A 718 -0.873 5.340 6.143 1.00 38.35 C +ATOM 90 C LEU A 718 -0.316 6.693 5.847 1.00 39.65 C +ATOM 91 O LEU A 718 0.610 7.170 6.530 1.00 41.30 O +ATOM 92 CB LEU A 718 -0.349 4.396 5.045 1.00 38.83 C +ATOM 93 CG LEU A 718 1.026 3.716 5.059 1.00 44.29 C +ATOM 94 CD1 LEU A 718 1.387 3.111 3.681 1.00 45.43 C +ATOM 95 CD2 LEU A 718 2.058 4.754 5.436 1.00 49.22 C +ATOM 96 N LEU A 719 -0.818 7.312 4.777 1.00 39.93 N +ATOM 97 CA LEU A 719 -0.354 8.668 4.398 1.00 39.04 C +ATOM 98 C LEU A 719 -0.658 9.624 5.535 1.00 39.84 C +ATOM 99 O LEU A 719 0.228 10.415 5.897 1.00 41.39 O +ATOM 100 CB LEU A 719 -1.042 9.170 3.104 1.00 38.89 C +ATOM 101 CG LEU A 719 -0.737 10.625 2.656 1.00 38.05 C +ATOM 102 CD1 LEU A 719 0.719 10.793 2.418 1.00 33.70 C +ATOM 103 CD2 LEU A 719 -1.579 11.076 1.440 1.00 37.04 C +ATOM 104 N GLU A 720 -1.883 9.582 6.077 1.00 39.88 N +ATOM 105 CA GLU A 720 -2.297 10.590 7.098 1.00 42.16 C +ATOM 106 C GLU A 720 -1.477 10.436 8.392 1.00 42.90 C +ATOM 107 O GLU A 720 -1.079 11.421 9.007 1.00 42.27 O +ATOM 108 CB GLU A 720 -3.762 10.460 7.460 1.00 41.33 C +ATOM 109 CG GLU A 720 -4.700 10.323 6.291 1.00 44.33 C +ATOM 110 CD GLU A 720 -6.150 10.279 6.743 1.00 50.66 C +ATOM 111 OE1 GLU A 720 -6.570 11.245 7.428 1.00 55.30 O +ATOM 112 OE2 GLU A 720 -6.881 9.292 6.445 1.00 53.05 O +ATOM 113 N ASN A 721 -1.274 9.178 8.789 1.00 44.05 N +ATOM 114 CA ASN A 721 -0.403 8.802 9.905 1.00 45.67 C +ATOM 115 C ASN A 721 1.041 9.317 9.661 1.00 46.41 C +ATOM 116 O ASN A 721 1.526 10.150 10.444 1.00 47.09 O +ATOM 117 CB ASN A 721 -0.452 7.286 10.163 1.00 44.68 C +ATOM 118 CG ASN A 721 -1.806 6.817 10.706 1.00 44.78 C +ATOM 119 OD1 ASN A 721 -2.459 5.974 10.093 1.00 45.81 O +ATOM 120 ND2 ASN A 721 -2.229 7.355 11.849 1.00 41.07 N +ATOM 121 N ALA A 722 1.687 8.867 8.572 1.00 47.14 N +ATOM 122 CA ALA A 722 3.044 9.349 8.194 1.00 48.36 C +ATOM 123 C ALA A 722 3.173 10.852 8.281 1.00 48.95 C +ATOM 124 O ALA A 722 4.075 11.333 8.912 1.00 50.31 O +ATOM 125 CB ALA A 722 3.479 8.863 6.792 1.00 48.24 C +ATOM 126 N ILE A 723 2.287 11.611 7.655 1.00 50.68 N +ATOM 127 CA ILE A 723 2.394 13.082 7.746 1.00 51.32 C +ATOM 128 C ILE A 723 2.144 13.583 9.144 1.00 52.16 C +ATOM 129 O ILE A 723 2.686 14.616 9.544 1.00 52.23 O +ATOM 130 CB ILE A 723 1.443 13.791 6.785 1.00 51.99 C +ATOM 131 CG1 ILE A 723 1.868 13.454 5.352 1.00 54.01 C +ATOM 132 CG2 ILE A 723 1.426 15.328 7.021 1.00 48.24 C +ATOM 133 CD1 ILE A 723 1.106 14.228 4.283 1.00 58.71 C +ATOM 134 N GLN A 724 1.327 12.856 9.908 1.00 53.47 N +ATOM 135 CA GLN A 724 1.000 13.332 11.254 1.00 54.05 C +ATOM 136 C GLN A 724 2.218 13.279 12.182 1.00 53.10 C +ATOM 137 O GLN A 724 2.475 14.221 12.930 1.00 52.85 O +ATOM 138 CB GLN A 724 -0.242 12.650 11.822 1.00 54.81 C +ATOM 139 CG GLN A 724 -1.425 13.663 12.097 1.00 59.14 C +ATOM 140 CD GLN A 724 -1.509 14.852 11.085 1.00 62.99 C +ATOM 141 OE1 GLN A 724 -1.919 14.673 9.924 1.00 64.31 O +ATOM 142 NE2 GLN A 724 -1.137 16.066 11.542 1.00 61.40 N +ATOM 143 N ASP A 725 2.986 12.206 12.058 1.00 51.79 N +ATOM 144 CA ASP A 725 4.230 12.055 12.786 1.00 51.41 C +ATOM 145 C ASP A 725 5.450 12.828 12.185 1.00 52.10 C +ATOM 146 O ASP A 725 6.396 13.132 12.912 1.00 52.25 O +ATOM 147 CB ASP A 725 4.543 10.566 12.938 1.00 50.98 C +ATOM 148 CG ASP A 725 3.336 9.742 13.498 1.00 49.51 C +ATOM 149 OD1 ASP A 725 2.547 10.256 14.322 1.00 48.21 O +ATOM 150 OD2 ASP A 725 3.176 8.570 13.101 1.00 43.84 O +ATOM 151 N THR A 726 5.453 13.106 10.874 1.00 52.22 N +ATOM 152 CA THR A 726 6.405 14.060 10.278 1.00 53.02 C +ATOM 153 C THR A 726 6.133 15.484 10.807 1.00 53.12 C +ATOM 154 O THR A 726 7.021 16.147 11.358 1.00 53.78 O +ATOM 155 CB THR A 726 6.328 14.038 8.737 1.00 53.32 C +ATOM 156 OG1 THR A 726 6.544 12.698 8.258 1.00 53.03 O +ATOM 157 CG2 THR A 726 7.350 14.965 8.130 1.00 54.06 C +ATOM 158 N VAL A 727 4.886 15.928 10.676 1.00 53.67 N +ATOM 159 CA VAL A 727 4.433 17.232 11.179 1.00 53.71 C +ATOM 160 C VAL A 727 4.342 17.323 12.706 1.00 53.90 C +ATOM 161 O VAL A 727 4.026 18.399 13.228 1.00 54.62 O +ATOM 162 CB VAL A 727 3.043 17.618 10.560 1.00 53.90 C +ATOM 163 CG1 VAL A 727 2.473 18.922 11.177 1.00 54.44 C +ATOM 164 CG2 VAL A 727 3.153 17.759 9.053 1.00 54.28 C +ATOM 165 N ARG A 728 4.591 16.224 13.431 1.00 53.45 N +ATOM 166 CA ARG A 728 4.563 16.274 14.908 1.00 52.59 C +ATOM 167 C ARG A 728 5.869 16.744 15.537 1.00 51.89 C +ATOM 168 O ARG A 728 5.872 17.776 16.194 1.00 51.74 O +ATOM 169 CB ARG A 728 4.132 14.940 15.526 1.00 53.42 C +ATOM 170 N GLU A 729 6.958 15.987 15.329 1.00 51.17 N +ATOM 171 CA GLU A 729 8.310 16.282 15.874 1.00 50.07 C +ATOM 172 C GLU A 729 8.769 17.737 15.678 1.00 49.50 C +ATOM 173 O GLU A 729 9.516 18.272 16.500 1.00 48.71 O +ATOM 174 CB GLU A 729 9.957 16.049 16.530 0.00 65.19 C +ATOM 175 N GLN A 730 8.314 18.345 14.575 1.00 48.86 N +ATOM 176 CA GLN A 730 8.367 19.791 14.317 1.00 48.39 C +ATOM 177 C GLN A 730 7.861 20.651 15.493 1.00 47.97 C +ATOM 178 O GLN A 730 8.459 21.668 15.814 1.00 48.08 O +ATOM 179 CB GLN A 730 7.565 20.092 13.046 1.00 48.54 C +ATOM 180 CG GLN A 730 6.984 21.510 12.885 1.00 49.32 C +ATOM 181 CD GLN A 730 5.493 21.511 12.475 1.00 50.07 C +ATOM 182 OE1 GLN A 730 5.141 21.808 11.331 1.00 49.31 O +ATOM 183 NE2 GLN A 730 4.622 21.165 13.418 1.00 49.96 N +ATOM 184 N GLY A 731 6.762 20.233 16.120 1.00 47.66 N +ATOM 185 CA GLY A 731 6.213 20.860 17.341 1.00 46.44 C +ATOM 186 C GLY A 731 7.198 21.191 18.466 1.00 45.68 C +ATOM 187 O GLY A 731 6.996 22.166 19.212 1.00 45.53 O +ATOM 188 N ASN A 732 8.260 20.394 18.604 1.00 44.30 N +ATOM 189 CA ASN A 732 9.324 20.739 19.555 1.00 43.12 C +ATOM 190 C ASN A 732 10.521 21.442 18.852 1.00 41.70 C +ATOM 191 O ASN A 732 11.520 20.846 18.435 1.00 41.33 O +ATOM 192 CB ASN A 732 9.667 19.566 20.517 1.00 43.30 C +ATOM 193 CG ASN A 732 8.876 18.274 20.196 1.00 42.95 C +ATOM 194 OD1 ASN A 732 7.655 18.198 20.390 1.00 39.23 O +ATOM 195 ND2 ASN A 732 9.585 17.265 19.691 1.00 42.75 N +ATOM 196 N SER A 733 10.353 22.747 18.717 1.00 40.48 N +ATOM 197 CA SER A 733 11.194 23.568 17.875 1.00 39.81 C +ATOM 198 C SER A 733 12.282 24.175 18.734 1.00 39.04 C +ATOM 199 O SER A 733 12.034 24.572 19.853 1.00 38.84 O +ATOM 200 CB SER A 733 10.328 24.643 17.184 1.00 40.28 C +ATOM 201 OG SER A 733 10.982 25.909 17.116 1.00 40.31 O +ATOM 202 N MET A 734 13.494 24.225 18.208 1.00 37.96 N +ATOM 203 CA MET A 734 14.612 24.787 18.915 1.00 37.49 C +ATOM 204 C MET A 734 14.493 26.302 19.004 1.00 37.26 C +ATOM 205 O MET A 734 15.295 26.962 19.636 1.00 37.34 O +ATOM 206 CB MET A 734 15.912 24.371 18.254 1.00 37.39 C +ATOM 207 CG MET A 734 16.257 22.896 18.424 1.00 36.10 C +ATOM 208 SD MET A 734 17.776 22.431 17.521 1.00 38.49 S +ATOM 209 CE MET A 734 19.091 23.219 18.491 1.00 34.05 C +ATOM 210 N MET A 735 13.468 26.865 18.389 1.00 37.27 N +ATOM 211 CA MET A 735 13.172 28.257 18.628 1.00 37.75 C +ATOM 212 C MET A 735 12.745 28.510 20.091 1.00 37.38 C +ATOM 213 O MET A 735 12.836 29.645 20.604 1.00 37.21 O +ATOM 214 CB MET A 735 12.135 28.745 17.594 1.00 38.10 C +ATOM 215 CG MET A 735 12.616 28.567 16.110 1.00 37.27 C +ATOM 216 SD MET A 735 11.451 29.117 14.824 1.00 40.26 S +ATOM 217 CE MET A 735 10.870 30.609 15.659 1.00 38.90 C +ATOM 218 N ASN A 736 12.305 27.452 20.781 1.00 37.20 N +ATOM 219 CA ASN A 736 11.817 27.604 22.164 1.00 37.05 C +ATOM 220 C ASN A 736 12.910 27.468 23.186 1.00 36.95 C +ATOM 221 O ASN A 736 12.589 27.465 24.393 1.00 37.96 O +ATOM 222 CB ASN A 736 10.749 26.570 22.526 1.00 36.81 C +ATOM 223 CG ASN A 736 9.526 26.695 21.693 1.00 38.46 C +ATOM 224 OD1 ASN A 736 8.967 27.787 21.533 1.00 41.95 O +ATOM 225 ND2 ASN A 736 9.077 25.577 21.155 1.00 40.96 N +ATOM 226 N LEU A 737 14.156 27.254 22.750 1.00 35.39 N +ATOM 227 CA LEU A 737 15.245 27.093 23.712 1.00 35.46 C +ATOM 228 C LEU A 737 15.705 28.445 24.178 1.00 37.18 C +ATOM 229 O LEU A 737 15.348 29.480 23.573 1.00 36.85 O +ATOM 230 CB LEU A 737 16.416 26.346 23.118 1.00 35.01 C +ATOM 231 CG LEU A 737 16.216 24.913 22.621 1.00 34.37 C +ATOM 232 CD1 LEU A 737 17.365 24.578 21.678 1.00 27.40 C +ATOM 233 CD2 LEU A 737 16.181 23.991 23.854 1.00 31.81 C +ATOM 234 N ASP A 738 16.480 28.452 25.265 1.00 37.90 N +ATOM 235 CA ASP A 738 17.114 29.672 25.713 1.00 38.68 C +ATOM 236 C ASP A 738 18.353 30.010 24.896 1.00 37.71 C +ATOM 237 O ASP A 738 19.417 29.422 25.107 1.00 37.52 O +ATOM 238 CB ASP A 738 17.491 29.611 27.195 1.00 40.11 C +ATOM 239 CG ASP A 738 18.061 30.945 27.706 1.00 44.01 C +ATOM 240 OD1 ASP A 738 17.472 32.017 27.396 1.00 44.57 O +ATOM 241 OD2 ASP A 738 19.114 30.918 28.404 1.00 49.55 O +ATOM 242 N TRP A 739 18.217 31.006 24.015 1.00 36.08 N +ATOM 243 CA TRP A 739 19.334 31.546 23.260 1.00 34.28 C +ATOM 244 C TRP A 739 19.984 32.804 23.857 1.00 34.72 C +ATOM 245 O TRP A 739 20.946 33.336 23.269 1.00 33.89 O +ATOM 246 CB TRP A 739 18.839 31.836 21.853 1.00 35.06 C +ATOM 247 CG TRP A 739 18.440 30.600 21.157 1.00 34.58 C +ATOM 248 CD1 TRP A 739 17.195 30.054 21.093 1.00 34.35 C +ATOM 249 CD2 TRP A 739 19.308 29.717 20.488 1.00 32.68 C +ATOM 250 NE1 TRP A 739 17.231 28.873 20.397 1.00 35.11 N +ATOM 251 CE2 TRP A 739 18.525 28.656 19.998 1.00 36.15 C +ATOM 252 CE3 TRP A 739 20.667 29.756 20.187 1.00 33.00 C +ATOM 253 CZ2 TRP A 739 19.063 27.632 19.225 1.00 35.51 C +ATOM 254 CZ3 TRP A 739 21.217 28.724 19.469 1.00 35.63 C +ATOM 255 CH2 TRP A 739 20.411 27.690 18.955 1.00 35.82 C +ATOM 256 N SER A 740 19.498 33.257 25.032 1.00 33.85 N +ATOM 257 CA SER A 740 19.946 34.503 25.666 1.00 32.82 C +ATOM 258 C SER A 740 21.399 34.614 26.008 1.00 33.00 C +ATOM 259 O SER A 740 21.877 35.719 26.154 1.00 33.67 O +ATOM 260 CB SER A 740 19.109 34.853 26.908 1.00 34.03 C +ATOM 261 OG SER A 740 19.299 33.903 27.959 1.00 33.65 O +ATOM 262 N TRP A 741 22.117 33.502 26.117 1.00 34.05 N +ATOM 263 CA TRP A 741 23.585 33.493 26.322 1.00 34.72 C +ATOM 264 C TRP A 741 24.338 34.049 25.122 1.00 36.89 C +ATOM 265 O TRP A 741 25.569 34.275 25.183 1.00 36.82 O +ATOM 266 CB TRP A 741 24.089 32.075 26.574 1.00 34.45 C +ATOM 267 CG TRP A 741 23.562 31.059 25.601 1.00 35.02 C +ATOM 268 CD1 TRP A 741 22.367 30.377 25.691 1.00 35.56 C +ATOM 269 CD2 TRP A 741 24.156 30.655 24.359 1.00 32.16 C +ATOM 270 NE1 TRP A 741 22.204 29.566 24.593 1.00 34.65 N +ATOM 271 CE2 TRP A 741 23.294 29.691 23.778 1.00 32.42 C +ATOM 272 CE3 TRP A 741 25.366 30.948 23.722 1.00 32.16 C +ATOM 273 CZ2 TRP A 741 23.589 29.046 22.568 1.00 34.61 C +ATOM 274 CZ3 TRP A 741 25.668 30.299 22.509 1.00 32.73 C +ATOM 275 CH2 TRP A 741 24.763 29.376 21.939 1.00 33.77 C +ATOM 276 N LEU A 742 23.613 34.249 24.018 1.00 38.34 N +ATOM 277 CA LEU A 742 24.160 34.945 22.855 1.00 40.13 C +ATOM 278 C LEU A 742 24.254 36.417 23.151 1.00 41.89 C +ATOM 279 O LEU A 742 25.150 37.087 22.682 1.00 42.64 O +ATOM 280 CB LEU A 742 23.332 34.661 21.562 1.00 40.02 C +ATOM 281 CG LEU A 742 23.722 33.310 20.881 1.00 38.72 C +ATOM 282 CD1 LEU A 742 22.863 32.827 19.679 1.00 40.20 C +ATOM 283 CD2 LEU A 742 25.114 33.400 20.432 1.00 35.68 C +ATOM 284 N THR A 743 23.347 36.919 23.973 1.00 44.20 N +ATOM 285 CA THR A 743 23.228 38.336 24.182 1.00 46.56 C +ATOM 286 C THR A 743 23.617 38.731 25.606 1.00 47.43 C +ATOM 287 O THR A 743 24.774 39.136 25.813 1.00 48.25 O +ATOM 288 CB THR A 743 21.802 38.818 23.862 1.00 47.18 C +ATOM 289 OG1 THR A 743 20.848 37.862 24.358 1.00 49.50 O +ATOM 290 CG2 THR A 743 21.625 38.981 22.339 1.00 48.89 C +ATOM 292 N GLU B 49 -29.122 -8.130 -13.110 1.00 58.57 N +ATOM 293 CA GLU B 49 -28.972 -7.259 -14.310 1.00 58.79 C +ATOM 294 C GLU B 49 -27.622 -6.505 -14.339 1.00 58.01 C +ATOM 295 O GLU B 49 -27.141 -6.029 -13.315 1.00 57.14 O +ATOM 296 CB GLU B 49 -30.190 -6.332 -14.485 1.00 59.08 C +ATOM 297 CG GLU B 49 -29.899 -5.012 -15.220 1.00 61.30 C +ATOM 298 CD GLU B 49 -31.002 -4.613 -16.199 1.00 63.63 C +ATOM 299 OE1 GLU B 49 -31.235 -5.344 -17.191 1.00 61.42 O +ATOM 300 OE2 GLU B 49 -31.610 -3.540 -15.991 1.00 66.47 O +ATOM 301 N THR B 50 -27.031 -6.433 -15.536 1.00 57.60 N +ATOM 302 CA THR B 50 -25.689 -5.892 -15.757 1.00 57.58 C +ATOM 303 C THR B 50 -25.653 -4.366 -15.586 1.00 58.29 C +ATOM 304 O THR B 50 -24.622 -3.818 -15.247 1.00 58.71 O +ATOM 305 CB THR B 50 -25.144 -6.300 -17.184 1.00 57.99 C +ATOM 306 OG1 THR B 50 -25.325 -7.705 -17.386 1.00 53.90 O +ATOM 307 CG2 THR B 50 -23.630 -5.915 -17.386 1.00 56.21 C +ATOM 308 N LEU B 51 -26.778 -3.691 -15.830 1.00 59.12 N +ATOM 309 CA LEU B 51 -26.870 -2.241 -15.645 1.00 59.48 C +ATOM 310 C LEU B 51 -26.794 -1.861 -14.150 1.00 60.12 C +ATOM 311 O LEU B 51 -25.884 -1.135 -13.746 1.00 58.32 O +ATOM 312 CB LEU B 51 -28.153 -1.676 -16.287 1.00 59.60 C +ATOM 313 CG LEU B 51 -28.121 -0.369 -17.102 1.00 59.20 C +ATOM 314 CD1 LEU B 51 -29.497 0.283 -17.143 1.00 59.90 C +ATOM 315 CD2 LEU B 51 -27.122 0.595 -16.567 1.00 58.16 C +ATOM 316 N GLN B 52 -27.727 -2.379 -13.337 1.00 61.09 N +ATOM 317 CA GLN B 52 -27.767 -2.043 -11.895 1.00 62.01 C +ATOM 318 C GLN B 52 -26.415 -2.307 -11.258 1.00 61.97 C +ATOM 319 O GLN B 52 -25.959 -1.531 -10.426 1.00 61.49 O +ATOM 320 CB GLN B 52 -28.871 -2.818 -11.162 1.00 62.11 C +ATOM 321 CG GLN B 52 -30.244 -2.647 -11.818 1.00 64.57 C +ATOM 322 CD GLN B 52 -31.225 -3.768 -11.507 1.00 66.86 C +ATOM 323 OE1 GLN B 52 -31.340 -4.207 -10.362 1.00 67.78 O +ATOM 324 NE2 GLN B 52 -31.956 -4.227 -12.532 1.00 67.30 N +ATOM 325 N ARG B 53 -25.788 -3.407 -11.685 1.00 62.61 N +ATOM 326 CA ARG B 53 -24.498 -3.872 -11.170 1.00 63.22 C +ATOM 327 C ARG B 53 -23.392 -2.850 -11.405 1.00 62.81 C +ATOM 328 O ARG B 53 -22.575 -2.586 -10.529 1.00 61.67 O +ATOM 329 CB ARG B 53 -24.127 -5.206 -11.842 1.00 63.18 C +ATOM 330 CG ARG B 53 -23.070 -6.060 -11.110 1.00 63.64 C +ATOM 331 CD ARG B 53 -22.797 -7.371 -11.887 1.00 64.99 C +ATOM 332 NE ARG B 53 -21.425 -7.431 -12.423 1.00 68.53 N +ATOM 333 CZ ARG B 53 -21.068 -7.369 -13.714 1.00 68.13 C +ATOM 334 NH1 ARG B 53 -21.959 -7.239 -14.696 1.00 65.90 N +ATOM 335 NH2 ARG B 53 -19.780 -7.440 -14.023 1.00 68.01 N +ATOM 336 N CYS B 54 -23.394 -2.302 -12.613 1.00 63.22 N +ATOM 337 CA CYS B 54 -22.391 -1.369 -13.104 1.00 63.58 C +ATOM 338 C CYS B 54 -22.515 -0.006 -12.522 1.00 62.00 C +ATOM 339 O CYS B 54 -21.513 0.632 -12.213 1.00 61.60 O +ATOM 340 CB CYS B 54 -22.594 -1.191 -14.583 1.00 63.77 C +ATOM 341 SG CYS B 54 -21.273 -1.837 -15.417 1.00 72.50 S +ATOM 342 N LEU B 55 -23.758 0.455 -12.461 1.00 60.54 N +ATOM 343 CA LEU B 55 -24.097 1.710 -11.847 1.00 59.74 C +ATOM 344 C LEU B 55 -23.725 1.685 -10.366 1.00 58.91 C +ATOM 345 O LEU B 55 -23.172 2.647 -9.849 1.00 59.75 O +ATOM 346 CB LEU B 55 -25.579 2.005 -12.029 1.00 59.43 C +ATOM 347 CG LEU B 55 -25.987 2.427 -13.435 1.00 59.01 C +ATOM 348 CD1 LEU B 55 -27.474 2.328 -13.547 1.00 61.78 C +ATOM 349 CD2 LEU B 55 -25.546 3.843 -13.682 1.00 59.46 C +ATOM 350 N GLU B 56 -23.983 0.577 -9.691 1.00 57.34 N +ATOM 351 CA GLU B 56 -23.623 0.500 -8.276 1.00 56.25 C +ATOM 352 C GLU B 56 -22.090 0.545 -8.088 1.00 55.09 C +ATOM 353 O GLU B 56 -21.615 1.187 -7.166 1.00 54.87 O +ATOM 354 CB GLU B 56 -24.275 -0.692 -7.554 1.00 55.07 C +ATOM 355 N GLU B 57 -21.329 -0.091 -8.984 1.00 53.52 N +ATOM 356 CA GLU B 57 -19.883 -0.052 -8.869 1.00 52.58 C +ATOM 357 C GLU B 57 -19.308 1.310 -9.331 1.00 50.90 C +ATOM 358 O GLU B 57 -18.181 1.669 -9.005 1.00 50.79 O +ATOM 359 CB GLU B 57 -19.251 -1.194 -9.663 1.00 52.22 C +ATOM 360 CG GLU B 57 -17.805 -1.432 -9.250 1.00 54.92 C +ATOM 361 CD GLU B 57 -16.925 -1.977 -10.359 1.00 59.04 C +ATOM 362 OE1 GLU B 57 -17.497 -2.468 -11.372 1.00 61.71 O +ATOM 363 OE2 GLU B 57 -15.664 -1.933 -10.201 1.00 57.84 O +ATOM 364 N ASN B 58 -20.088 2.033 -10.126 1.00 49.94 N +ATOM 365 CA ASN B 58 -19.723 3.340 -10.611 1.00 49.69 C +ATOM 366 C ASN B 58 -19.796 4.334 -9.467 1.00 48.02 C +ATOM 367 O ASN B 58 -18.897 5.099 -9.289 1.00 49.44 O +ATOM 368 CB ASN B 58 -20.675 3.784 -11.693 1.00 49.49 C +ATOM 369 CG ASN B 58 -20.174 4.986 -12.407 1.00 52.99 C +ATOM 370 OD1 ASN B 58 -19.209 4.903 -13.167 1.00 58.17 O +ATOM 371 ND2 ASN B 58 -20.805 6.132 -12.169 1.00 55.35 N +ATOM 372 N GLN B 59 -20.877 4.293 -8.693 1.00 47.21 N +ATOM 373 CA GLN B 59 -21.043 5.112 -7.497 1.00 45.63 C +ATOM 374 C GLN B 59 -19.976 4.807 -6.484 1.00 44.51 C +ATOM 375 O GLN B 59 -19.348 5.731 -5.994 1.00 45.62 O +ATOM 376 CB GLN B 59 -22.434 4.899 -6.883 1.00 46.37 C +ATOM 377 CG GLN B 59 -22.837 5.926 -5.839 1.00 47.98 C +ATOM 378 CD GLN B 59 -22.860 7.356 -6.377 1.00 49.96 C +ATOM 379 OE1 GLN B 59 -21.946 8.155 -6.104 1.00 54.16 O +ATOM 380 NE2 GLN B 59 -23.901 7.688 -7.134 1.00 49.45 N +ATOM 381 N GLU B 60 -19.722 3.532 -6.182 1.00 42.66 N +ATOM 382 CA GLU B 60 -18.657 3.196 -5.202 1.00 41.32 C +ATOM 383 C GLU B 60 -17.259 3.617 -5.621 1.00 40.00 C +ATOM 384 O GLU B 60 -16.481 4.002 -4.801 1.00 40.04 O +ATOM 385 CB GLU B 60 -18.635 1.708 -4.847 1.00 41.84 C +ATOM 386 N LEU B 61 -16.927 3.524 -6.901 1.00 39.35 N +ATOM 387 CA LEU B 61 -15.627 3.975 -7.348 1.00 37.75 C +ATOM 388 C LEU B 61 -15.622 5.516 -7.312 1.00 38.13 C +ATOM 389 O LEU B 61 -14.588 6.082 -7.055 1.00 35.53 O +ATOM 390 CB LEU B 61 -15.253 3.481 -8.750 1.00 37.65 C +ATOM 391 CG LEU B 61 -14.881 2.008 -9.028 1.00 37.31 C +ATOM 392 CD1 LEU B 61 -15.215 1.595 -10.456 1.00 33.57 C +ATOM 393 CD2 LEU B 61 -13.407 1.726 -8.701 1.00 35.36 C +ATOM 394 N ARG B 62 -16.765 6.166 -7.577 1.00 38.55 N +ATOM 395 CA ARG B 62 -16.829 7.647 -7.494 1.00 38.84 C +ATOM 396 C ARG B 62 -16.754 8.159 -6.061 1.00 39.01 C +ATOM 397 O ARG B 62 -16.309 9.265 -5.856 1.00 39.20 O +ATOM 398 CB ARG B 62 -18.048 8.239 -8.198 1.00 38.99 C +ATOM 399 CG ARG B 62 -18.125 7.885 -9.674 1.00 41.44 C +ATOM 400 CD ARG B 62 -19.448 8.300 -10.266 1.00 45.20 C +ATOM 401 NE ARG B 62 -19.331 9.618 -10.872 1.00 48.90 N +ATOM 402 CZ ARG B 62 -19.730 9.950 -12.097 1.00 52.70 C +ATOM 403 NH1 ARG B 62 -20.347 9.078 -12.906 1.00 49.14 N +ATOM 404 NH2 ARG B 62 -19.528 11.199 -12.505 1.00 54.47 N +ATOM 405 N ASP B 63 -17.159 7.336 -5.090 1.00 39.65 N +ATOM 406 CA ASP B 63 -17.064 7.668 -3.660 1.00 39.58 C +ATOM 407 C ASP B 63 -15.649 7.434 -3.159 1.00 38.66 C +ATOM 408 O ASP B 63 -15.178 8.136 -2.298 1.00 38.68 O +ATOM 409 CB ASP B 63 -18.003 6.792 -2.808 1.00 40.22 C +ATOM 410 CG ASP B 63 -19.495 6.967 -3.149 1.00 43.46 C +ATOM 411 OD1 ASP B 63 -19.849 8.049 -3.688 1.00 46.59 O +ATOM 412 OD2 ASP B 63 -20.314 6.015 -2.868 1.00 44.98 O +ATOM 413 N ALA B 64 -14.972 6.425 -3.683 1.00 38.16 N +ATOM 414 CA ALA B 64 -13.609 6.170 -3.285 1.00 38.07 C +ATOM 415 C ALA B 64 -12.728 7.322 -3.744 1.00 39.00 C +ATOM 416 O ALA B 64 -11.904 7.816 -2.983 1.00 39.47 O +ATOM 417 CB ALA B 64 -13.110 4.839 -3.894 1.00 38.17 C +ATOM 418 N ILE B 65 -12.922 7.763 -4.988 1.00 38.99 N +ATOM 419 CA ILE B 65 -12.178 8.877 -5.544 1.00 40.32 C +ATOM 420 C ILE B 65 -12.447 10.284 -4.932 1.00 38.74 C +ATOM 421 O ILE B 65 -11.513 11.012 -4.689 1.00 39.64 O +ATOM 422 CB ILE B 65 -12.395 8.935 -7.063 1.00 41.09 C +ATOM 423 CG1 ILE B 65 -11.483 7.929 -7.730 1.00 44.05 C +ATOM 424 CG2 ILE B 65 -11.969 10.322 -7.589 1.00 40.88 C +ATOM 425 CD1 ILE B 65 -10.005 8.434 -7.688 1.00 46.45 C +ATOM 426 N ARG B 66 -13.691 10.686 -4.708 1.00 39.21 N +ATOM 427 CA ARG B 66 -13.955 11.973 -4.020 1.00 41.01 C +ATOM 428 C ARG B 66 -13.300 12.033 -2.637 1.00 40.17 C +ATOM 429 O ARG B 66 -12.782 13.079 -2.223 1.00 42.59 O +ATOM 430 CB ARG B 66 -15.454 12.310 -3.893 1.00 40.29 C +ATOM 431 CG ARG B 66 -16.256 11.927 -5.123 1.00 41.66 C +ATOM 432 CD ARG B 66 -17.739 12.383 -5.123 1.00 43.35 C +ATOM 433 NE ARG B 66 -18.629 11.419 -5.834 1.00 47.49 N +ATOM 434 CZ ARG B 66 -19.367 11.707 -6.920 1.00 50.36 C +ATOM 435 NH1 ARG B 66 -19.343 12.935 -7.452 1.00 51.94 N +ATOM 436 NH2 ARG B 66 -20.172 10.776 -7.463 1.00 51.24 N +ATOM 437 N GLN B 67 -13.306 10.916 -1.937 1.00 40.36 N +ATOM 438 CA GLN B 67 -12.866 10.879 -0.536 1.00 39.77 C +ATOM 439 C GLN B 67 -11.373 10.943 -0.510 1.00 39.37 C +ATOM 440 O GLN B 67 -10.812 11.791 0.117 1.00 40.39 O +ATOM 441 CB GLN B 67 -13.364 9.591 0.148 1.00 39.87 C +ATOM 442 N SER B 68 -10.720 10.068 -1.258 1.00 38.88 N +ATOM 443 CA SER B 68 -9.278 10.125 -1.414 1.00 37.67 C +ATOM 444 C SER B 68 -8.766 11.518 -1.911 1.00 37.13 C +ATOM 445 O SER B 68 -7.726 12.022 -1.466 1.00 37.27 O +ATOM 446 CB SER B 68 -8.931 9.071 -2.417 1.00 37.80 C +ATOM 447 OG SER B 68 -7.559 9.106 -2.635 1.00 44.49 O +ATOM 448 N ASN B 69 -9.497 12.136 -2.831 1.00 34.44 N +ATOM 449 CA ASN B 69 -9.172 13.473 -3.257 1.00 34.09 C +ATOM 450 C ASN B 69 -9.268 14.478 -2.108 1.00 34.36 C +ATOM 451 O ASN B 69 -8.402 15.303 -1.961 1.00 32.33 O +ATOM 452 CB ASN B 69 -10.080 13.927 -4.388 1.00 34.17 C +ATOM 453 CG ASN B 69 -9.705 13.303 -5.736 1.00 35.26 C +ATOM 454 OD1 ASN B 69 -8.718 12.584 -5.850 1.00 37.69 O +ATOM 455 ND2 ASN B 69 -10.514 13.579 -6.754 1.00 30.06 N +ATOM 456 N GLN B 70 -10.323 14.402 -1.303 1.00 35.32 N +ATOM 457 CA GLN B 70 -10.401 15.265 -0.144 1.00 36.65 C +ATOM 458 C GLN B 70 -9.158 15.119 0.744 1.00 36.34 C +ATOM 459 O GLN B 70 -8.545 16.121 1.123 1.00 36.48 O +ATOM 460 CB GLN B 70 -11.672 15.032 0.647 1.00 36.92 C +ATOM 461 CG GLN B 70 -11.765 16.008 1.831 1.00 43.76 C +ATOM 462 CD GLN B 70 -12.978 15.721 2.695 1.00 52.83 C +ATOM 463 OE1 GLN B 70 -14.036 15.228 2.200 1.00 55.76 O +ATOM 464 NE2 GLN B 70 -12.854 16.018 3.997 1.00 55.40 N +ATOM 465 N ILE B 71A -8.746 13.878 1.020 1.00 36.81 N +ATOM 466 CA ILE B 71A -7.597 13.628 1.888 1.00 35.97 C +ATOM 467 C ILE B 71A -6.334 14.174 1.287 1.00 36.85 C +ATOM 468 O ILE B 71A -5.575 14.801 1.979 1.00 39.24 O +ATOM 469 CB ILE B 71A -7.399 12.114 2.180 1.00 35.45 C +ATOM 470 CG1 ILE B 71A -8.380 11.612 3.247 1.00 33.91 C +ATOM 471 CG2 ILE B 71A -6.010 11.844 2.677 1.00 33.65 C +ATOM 472 CD1 ILE B 71A -8.968 10.102 2.925 1.00 35.17 C +ATOM 473 N LEU B 72 -6.073 13.897 0.013 1.00 38.04 N +ATOM 474 CA LEU B 72 -4.914 14.448 -0.700 1.00 37.59 C +ATOM 475 C LEU B 72 -4.944 15.957 -0.709 1.00 38.01 C +ATOM 476 O LEU B 72 -3.901 16.571 -0.584 1.00 38.19 O +ATOM 477 CB LEU B 72 -4.841 13.943 -2.157 1.00 36.39 C +ATOM 478 CG LEU B 72 -4.532 12.447 -2.277 1.00 38.64 C +ATOM 479 CD1 LEU B 72 -4.520 11.913 -3.704 1.00 34.29 C +ATOM 480 CD2 LEU B 72 -3.240 12.152 -1.595 1.00 34.41 C +ATOM 481 N ARG B 73 -6.103 16.587 -0.851 1.00 37.54 N +ATOM 482 CA ARG B 73 -5.973 18.012 -0.765 1.00 38.67 C +ATOM 483 C ARG B 73 -5.660 18.539 0.669 1.00 37.38 C +ATOM 484 O ARG B 73 -4.766 19.377 0.808 1.00 37.41 O +ATOM 485 CB ARG B 73 -6.853 18.811 -1.763 1.00 39.66 C +ATOM 486 CG ARG B 73 -8.036 19.650 -1.372 1.00 42.60 C +ATOM 487 CD ARG B 73 -9.192 19.238 -2.360 1.00 45.48 C +ATOM 488 NE ARG B 73 -8.995 19.725 -3.727 1.00 46.42 N +ATOM 489 CZ ARG B 73 -9.646 19.272 -4.808 1.00 47.19 C +ATOM 490 NH1 ARG B 73 -10.541 18.286 -4.718 1.00 47.69 N +ATOM 491 NH2 ARG B 73 -9.372 19.783 -6.001 1.00 44.41 N +ATOM 492 N GLU B 74 -6.215 17.891 1.707 1.00 35.54 N +ATOM 493 CA GLU B 74 -5.843 18.209 3.097 1.00 34.95 C +ATOM 494 C GLU B 74 -4.355 17.900 3.385 1.00 34.07 C +ATOM 495 O GLU B 74 -3.645 18.728 3.930 1.00 32.09 O +ATOM 496 CB GLU B 74 -6.796 17.541 4.124 1.00 34.72 C +ATOM 497 N ARG B 75 -3.880 16.724 2.960 1.00 32.89 N +ATOM 498 CA ARG B 75 -2.491 16.327 3.204 1.00 32.16 C +ATOM 499 C ARG B 75 -1.460 17.202 2.498 1.00 32.09 C +ATOM 500 O ARG B 75 -0.414 17.470 3.065 1.00 30.55 O +ATOM 501 CB ARG B 75 -2.256 14.889 2.734 1.00 32.87 C +ATOM 502 CG ARG B 75 -2.067 13.851 3.792 1.00 35.04 C +ATOM 503 CD ARG B 75 -3.253 13.626 4.645 1.00 35.44 C +ATOM 504 NE ARG B 75 -3.129 14.391 5.860 1.00 39.19 N +ATOM 505 CZ ARG B 75 -4.148 14.677 6.643 1.00 41.81 C +ATOM 506 NH1 ARG B 75 -5.362 14.260 6.326 1.00 44.44 N +ATOM 507 NH2 ARG B 75 -3.940 15.388 7.732 1.00 46.76 N +ATOM 508 N CYS B 76 -1.734 17.597 1.246 1.00 31.35 N +ATOM 509 CA CYS B 76 -0.840 18.506 0.539 1.00 32.32 C +ATOM 510 C CYS B 76 -0.756 19.843 1.203 1.00 31.67 C +ATOM 511 O CYS B 76 0.299 20.439 1.187 1.00 31.74 O +ATOM 512 CB CYS B 76 -1.310 18.790 -0.853 1.00 31.78 C +ATOM 513 SG CYS B 76 -1.120 17.511 -1.938 1.00 39.49 S +ATOM 514 N GLU B 77 -1.881 20.350 1.715 1.00 32.73 N +ATOM 515 CA GLU B 77 -1.933 21.659 2.337 1.00 33.81 C +ATOM 516 C GLU B 77 -1.133 21.613 3.633 1.00 34.61 C +ATOM 517 O GLU B 77 -0.296 22.470 3.908 1.00 34.55 O +ATOM 518 CB GLU B 77 -3.369 22.080 2.567 1.00 33.43 C +ATOM 519 CG GLU B 77 -3.528 23.437 3.193 1.00 37.35 C +ATOM 520 CD GLU B 77 -4.901 23.616 3.802 1.00 42.53 C +ATOM 521 OE1 GLU B 77 -5.635 22.604 3.886 1.00 48.01 O +ATOM 522 OE2 GLU B 77 -5.262 24.752 4.191 1.00 46.39 O +ATOM 523 N GLU B 78 -1.356 20.573 4.400 1.00 36.26 N +ATOM 524 CA GLU B 78 -0.553 20.315 5.607 1.00 38.41 C +ATOM 525 C GLU B 78 0.923 20.281 5.262 1.00 37.35 C +ATOM 526 O GLU B 78 1.759 20.843 5.958 1.00 37.89 O +ATOM 527 CB GLU B 78 -1.005 18.983 6.226 1.00 37.84 C +ATOM 528 CG GLU B 78 -0.406 18.653 7.577 1.00 41.12 C +ATOM 529 CD GLU B 78 -1.199 17.570 8.337 1.00 41.88 C +ATOM 530 OE1 GLU B 78 -1.897 16.719 7.671 1.00 45.25 O +ATOM 531 OE2 GLU B 78 -1.137 17.585 9.616 1.00 46.27 O +ATOM 532 N LEU B 79 1.259 19.636 4.154 1.00 37.34 N +ATOM 533 CA LEU B 79 2.668 19.393 3.863 1.00 37.16 C +ATOM 534 C LEU B 79 3.332 20.679 3.372 1.00 36.06 C +ATOM 535 O LEU B 79 4.507 20.905 3.618 1.00 36.16 O +ATOM 536 CB LEU B 79 2.799 18.299 2.855 1.00 36.49 C +ATOM 537 CG LEU B 79 3.919 17.304 2.623 1.00 38.12 C +ATOM 538 CD1 LEU B 79 4.413 16.532 3.858 1.00 38.52 C +ATOM 539 CD2 LEU B 79 3.252 16.316 1.671 1.00 35.83 C +ATOM 540 N LEU B 80 2.556 21.523 2.725 1.00 35.85 N +ATOM 541 CA LEU B 80 3.047 22.817 2.238 1.00 36.63 C +ATOM 542 C LEU B 80 3.340 23.737 3.440 1.00 36.22 C +ATOM 543 O LEU B 80 4.315 24.472 3.462 1.00 37.14 O +ATOM 544 CB LEU B 80 2.022 23.403 1.260 1.00 35.90 C +ATOM 545 CG LEU B 80 1.918 24.803 0.625 1.00 37.94 C +ATOM 546 CD1 LEU B 80 0.610 24.942 -0.127 1.00 37.90 C +ATOM 547 CD2 LEU B 80 2.030 25.979 1.602 1.00 43.86 C +ATOM 548 N HIS B 81 2.471 23.705 4.436 1.00 36.59 N +ATOM 549 CA HIS B 81 2.694 24.464 5.659 1.00 36.13 C +ATOM 550 C HIS B 81 3.913 23.997 6.468 1.00 33.83 C +ATOM 551 O HIS B 81 4.641 24.816 7.040 1.00 34.34 O +ATOM 552 CB HIS B 81 1.434 24.464 6.523 1.00 37.80 C +ATOM 553 CG HIS B 81 0.323 25.323 5.994 1.00 39.02 C +ATOM 554 ND1 HIS B 81 -0.655 24.846 5.149 1.00 41.71 N +ATOM 555 CD2 HIS B 81 0.014 26.618 6.226 1.00 40.21 C +ATOM 556 CE1 HIS B 81 -1.514 25.810 4.875 1.00 39.55 C +ATOM 557 NE2 HIS B 81 -1.135 26.893 5.521 1.00 40.26 N +ATOM 558 N PHE B 82 4.157 22.694 6.481 1.00 32.30 N +ATOM 559 CA PHE B 82 5.304 22.086 7.204 1.00 29.84 C +ATOM 560 C PHE B 82 6.543 22.500 6.498 1.00 29.93 C +ATOM 561 O PHE B 82 7.578 22.766 7.108 1.00 31.03 O +ATOM 562 CB PHE B 82 5.202 20.566 7.203 1.00 28.90 C +ATOM 563 CG PHE B 82 6.414 19.862 7.750 1.00 27.45 C +ATOM 564 CD1 PHE B 82 6.623 19.754 9.127 1.00 24.69 C +ATOM 565 CD2 PHE B 82 7.346 19.319 6.889 1.00 26.44 C +ATOM 566 CE1 PHE B 82 7.731 19.124 9.648 1.00 27.15 C +ATOM 567 CE2 PHE B 82 8.449 18.674 7.390 1.00 29.49 C +ATOM 568 CZ PHE B 82 8.653 18.569 8.788 1.00 28.63 C +ATOM 569 N GLN B 83 6.477 22.572 5.192 1.00 30.47 N +ATOM 570 CA GLN B 83 7.660 22.969 4.443 1.00 30.81 C +ATOM 571 C GLN B 83 8.041 24.382 4.772 1.00 30.51 C +ATOM 572 O GLN B 83 9.225 24.710 4.833 1.00 31.14 O +ATOM 573 CB GLN B 83 7.393 22.944 2.956 1.00 31.62 C +ATOM 574 CG GLN B 83 7.704 21.668 2.321 1.00 34.96 C +ATOM 575 CD GLN B 83 7.293 21.658 0.833 1.00 40.52 C +ATOM 576 OE1 GLN B 83 6.348 20.970 0.446 1.00 42.24 O +ATOM 577 NE2 GLN B 83 8.000 22.432 0.016 1.00 39.73 N +ATOM 578 N ALA B 84 7.055 25.240 4.936 1.00 30.99 N +ATOM 579 CA ALA B 84 7.335 26.632 5.241 1.00 32.00 C +ATOM 580 C ALA B 84 7.921 26.754 6.678 1.00 32.92 C +ATOM 581 O ALA B 84 8.862 27.532 6.869 1.00 34.04 O +ATOM 582 CB ALA B 84 6.089 27.514 5.041 1.00 31.69 C +ATOM 583 N SER B 85 7.423 25.956 7.634 1.00 32.49 N +ATOM 584 CA SER B 85 7.969 25.926 9.018 1.00 32.72 C +ATOM 585 C SER B 85 9.348 25.393 9.061 1.00 33.06 C +ATOM 586 O SER B 85 10.193 25.972 9.733 1.00 32.95 O +ATOM 587 CB SER B 85 7.154 25.076 9.904 1.00 32.22 C +ATOM 588 OG SER B 85 5.868 25.593 9.816 1.00 35.11 O +ATOM 589 N GLN B 86 9.609 24.344 8.268 1.00 33.38 N +ATOM 590 CA GLN B 86 10.960 23.813 8.194 1.00 33.31 C +ATOM 591 C GLN B 86 11.948 24.875 7.706 1.00 30.43 C +ATOM 592 O GLN B 86 13.009 25.057 8.273 1.00 28.85 O +ATOM 593 CB GLN B 86 11.021 22.543 7.342 1.00 33.40 C +ATOM 594 CG GLN B 86 10.367 21.347 8.102 1.00 39.07 C +ATOM 595 CD GLN B 86 11.134 20.915 9.388 1.00 44.37 C +ATOM 596 OE1 GLN B 86 12.094 20.129 9.310 1.00 46.80 O +ATOM 597 NE2 GLN B 86 10.699 21.417 10.573 1.00 47.55 N +ATOM 598 N ARG B 87 11.587 25.553 6.649 1.00 29.91 N +ATOM 599 CA ARG B 87 12.445 26.632 6.071 1.00 29.57 C +ATOM 600 C ARG B 87 12.732 27.748 7.075 1.00 28.97 C +ATOM 601 O ARG B 87 13.825 28.250 7.134 1.00 30.38 O +ATOM 602 CB ARG B 87 11.763 27.229 4.838 1.00 28.62 C +ATOM 603 CG ARG B 87 12.475 28.483 4.314 1.00 31.76 C +ATOM 604 CD ARG B 87 12.022 28.919 2.893 1.00 30.68 C +ATOM 605 NE ARG B 87 13.217 29.305 2.122 1.00 34.97 N +ATOM 606 CZ ARG B 87 13.282 29.470 0.786 1.00 37.62 C +ATOM 607 NH1 ARG B 87 12.208 29.278 0.006 1.00 34.77 N +ATOM 608 NH2 ARG B 87 14.441 29.836 0.220 1.00 37.40 N +ATOM 609 N GLU B 88 11.767 28.101 7.899 1.00 29.18 N +ATOM 610 CA GLU B 88 11.900 29.161 8.931 1.00 31.46 C +ATOM 611 C GLU B 88 12.777 28.737 10.138 1.00 31.10 C +ATOM 612 O GLU B 88 13.620 29.546 10.629 1.00 30.25 O +ATOM 613 CB GLU B 88 10.492 29.557 9.381 1.00 29.89 C +ATOM 614 CG GLU B 88 9.666 30.268 8.252 1.00 35.38 C +ATOM 615 CD GLU B 88 8.132 30.404 8.571 1.00 37.19 C +ATOM 616 OE1 GLU B 88 7.758 30.530 9.768 1.00 42.26 O +ATOM 617 OE2 GLU B 88 7.283 30.366 7.630 1.00 44.77 O +ATOM 618 N GLU B 89 12.607 27.474 10.581 1.00 29.99 N +ATOM 619 CA GLU B 89 13.408 26.884 11.652 1.00 30.82 C +ATOM 620 C GLU B 89 14.837 26.890 11.199 1.00 30.02 C +ATOM 621 O GLU B 89 15.708 27.317 11.904 1.00 29.43 O +ATOM 622 CB GLU B 89 12.997 25.435 11.904 1.00 31.39 C +ATOM 623 CG GLU B 89 13.824 24.710 12.972 1.00 36.45 C +ATOM 624 CD GLU B 89 13.217 24.836 14.378 1.00 45.83 C +ATOM 625 OE1 GLU B 89 13.441 23.937 15.264 1.00 48.35 O +ATOM 626 OE2 GLU B 89 12.505 25.845 14.601 1.00 47.81 O +ATOM 627 N LYS B 90 15.071 26.441 9.977 1.00 30.08 N +ATOM 628 CA LYS B 90 16.414 26.407 9.434 1.00 30.15 C +ATOM 629 C LYS B 90 17.039 27.820 9.328 1.00 29.31 C +ATOM 630 O LYS B 90 18.159 28.046 9.693 1.00 31.92 O +ATOM 631 CB LYS B 90 16.345 25.842 8.034 1.00 29.56 C +ATOM 632 CG LYS B 90 17.745 25.653 7.516 1.00 35.15 C +ATOM 633 CD LYS B 90 17.763 24.951 6.186 1.00 34.49 C +ATOM 634 CE LYS B 90 19.172 24.408 5.989 1.00 37.71 C +ATOM 635 NZ LYS B 90 19.261 23.829 4.586 1.00 39.55 N +ATOM 636 N GLU B 91 16.336 28.770 8.781 1.00 28.14 N +ATOM 637 CA GLU B 91 16.834 30.175 8.781 1.00 28.03 C +ATOM 638 C GLU B 91 17.120 30.623 10.202 1.00 27.48 C +ATOM 639 O GLU B 91 18.147 31.252 10.444 1.00 26.84 O +ATOM 640 CB GLU B 91 15.773 31.086 8.187 1.00 26.18 C +ATOM 641 CG GLU B 91 15.391 30.658 6.800 1.00 27.88 C +ATOM 642 CD GLU B 91 14.260 31.453 6.149 1.00 33.10 C +ATOM 643 OE1 GLU B 91 13.558 32.271 6.776 1.00 34.20 O +ATOM 644 OE2 GLU B 91 14.034 31.235 4.954 1.00 39.23 O +ATOM 645 N PHE B 92 16.223 30.278 11.141 1.00 27.93 N +ATOM 646 CA PHE B 92 16.477 30.584 12.552 1.00 29.26 C +ATOM 647 C PHE B 92 17.737 29.988 13.071 1.00 30.20 C +ATOM 648 O PHE B 92 18.582 30.700 13.604 1.00 32.18 O +ATOM 649 CB PHE B 92 15.301 30.237 13.414 1.00 29.09 C +ATOM 650 CG PHE B 92 15.524 30.479 14.874 1.00 34.42 C +ATOM 651 CD1 PHE B 92 15.093 31.678 15.472 1.00 29.65 C +ATOM 652 CD2 PHE B 92 16.070 29.439 15.701 1.00 35.96 C +ATOM 653 CE1 PHE B 92 15.233 31.868 16.872 1.00 33.79 C +ATOM 654 CE2 PHE B 92 16.238 29.634 17.077 1.00 37.07 C +ATOM 655 CZ PHE B 92 15.820 30.866 17.680 1.00 31.59 C +ATOM 656 N LEU B 93 17.941 28.686 12.856 1.00 32.24 N +ATOM 657 CA LEU B 93 19.110 28.013 13.402 1.00 32.07 C +ATOM 658 C LEU B 93 20.424 28.409 12.682 1.00 34.53 C +ATOM 659 O LEU B 93 21.497 28.568 13.319 1.00 35.70 O +ATOM 660 CB LEU B 93 18.846 26.513 13.322 1.00 31.80 C +ATOM 661 CG LEU B 93 17.849 26.036 14.397 1.00 32.20 C +ATOM 662 CD1 LEU B 93 17.622 24.533 14.322 1.00 28.96 C +ATOM 663 CD2 LEU B 93 18.365 26.401 15.869 1.00 29.54 C +ATOM 664 N MET B 94 20.392 28.544 11.356 1.00 33.82 N +ATOM 665 CA MET B 94 21.561 29.135 10.677 1.00 36.07 C +ATOM 666 C MET B 94 21.935 30.539 11.200 1.00 34.38 C +ATOM 667 O MET B 94 23.110 30.883 11.320 1.00 34.10 O +ATOM 668 CB MET B 94 21.322 29.161 9.184 1.00 33.59 C +ATOM 669 CG MET B 94 21.553 27.792 8.527 1.00 36.32 C +ATOM 670 SD MET B 94 21.252 27.942 6.774 1.00 47.42 S +ATOM 671 CE MET B 94 19.499 28.362 6.646 1.00 48.65 C +ATOM 672 N CYS B 95 20.956 31.354 11.537 1.00 34.64 N +ATOM 673 CA CYS B 95 21.244 32.648 12.168 1.00 35.08 C +ATOM 674 C CYS B 95 21.934 32.489 13.561 1.00 35.70 C +ATOM 675 O CYS B 95 23.071 32.936 13.739 1.00 36.62 O +ATOM 676 CB CYS B 95 19.968 33.473 12.252 1.00 33.83 C +ATOM 677 SG CYS B 95 20.179 35.161 12.977 1.00 37.51 S +ATOM 678 N LYS B 96 21.296 31.785 14.495 1.00 35.62 N +ATOM 679 CA LYS B 96 21.871 31.528 15.826 1.00 35.57 C +ATOM 680 C LYS B 96 23.249 30.977 15.770 1.00 35.66 C +ATOM 681 O LYS B 96 24.166 31.389 16.533 1.00 36.92 O +ATOM 682 CB LYS B 96 21.030 30.475 16.548 1.00 34.50 C +ATOM 683 CG LYS B 96 19.644 30.971 16.792 1.00 36.02 C +ATOM 684 CD LYS B 96 19.705 32.260 17.550 1.00 38.71 C +ATOM 685 CE LYS B 96 18.705 33.231 17.040 1.00 42.21 C +ATOM 686 NZ LYS B 96 18.352 33.987 18.234 1.00 37.29 N +ATOM 687 N PHE B 97 23.416 29.998 14.906 1.00 34.47 N +ATOM 688 CA PHE B 97 24.682 29.344 14.837 1.00 34.36 C +ATOM 689 C PHE B 97 25.798 30.193 14.143 1.00 35.53 C +ATOM 690 O PHE B 97 27.007 30.082 14.551 1.00 34.50 O +ATOM 691 CB PHE B 97 24.483 27.937 14.325 1.00 35.86 C +ATOM 692 CG PHE B 97 23.939 26.930 15.424 1.00 35.95 C +ATOM 693 CD1 PHE B 97 22.799 26.175 15.198 1.00 31.31 C +ATOM 694 CD2 PHE B 97 24.586 26.782 16.647 1.00 35.41 C +ATOM 695 CE1 PHE B 97 22.336 25.239 16.145 1.00 32.95 C +ATOM 696 CE2 PHE B 97 24.132 25.868 17.613 1.00 35.97 C +ATOM 697 CZ PHE B 97 22.998 25.087 17.372 1.00 33.39 C +ATOM 698 N GLN B 98 25.397 31.121 13.252 1.00 33.24 N +ATOM 699 CA GLN B 98 26.313 32.208 12.799 1.00 35.19 C +ATOM 700 C GLN B 98 26.647 33.311 13.802 1.00 34.21 C +ATOM 701 O GLN B 98 27.747 33.802 13.836 1.00 35.04 O +ATOM 702 CB GLN B 98 25.876 32.820 11.431 1.00 35.03 C +ATOM 703 CG GLN B 98 25.564 31.725 10.407 1.00 36.60 C +ATOM 704 CD GLN B 98 26.252 31.950 9.136 1.00 44.14 C +ATOM 705 OE1 GLN B 98 27.502 32.017 9.155 1.00 47.50 O +ATOM 706 NE2 GLN B 98 25.476 32.033 7.960 1.00 37.24 N +ATOM 707 N GLU B 99 25.693 33.701 14.620 1.00 35.60 N +ATOM 708 CA GLU B 99 25.919 34.590 15.772 1.00 36.89 C +ATOM 709 C GLU B 99 26.832 33.884 16.814 1.00 35.96 C +ATOM 710 O GLU B 99 27.743 34.480 17.333 1.00 36.05 O +ATOM 711 CB GLU B 99 24.538 34.963 16.394 1.00 36.34 C +ATOM 712 CG GLU B 99 23.891 36.135 15.627 1.00 41.73 C +ATOM 713 CD GLU B 99 22.391 36.337 15.898 1.00 41.47 C +ATOM 714 OE1 GLU B 99 21.821 37.355 15.425 1.00 49.54 O +ATOM 715 OE2 GLU B 99 21.774 35.517 16.577 1.00 45.62 O +ATOM 716 N ALA B 100 26.579 32.618 17.101 1.00 34.19 N +ATOM 717 CA ALA B 100 27.449 31.893 18.013 1.00 34.48 C +ATOM 718 C ALA B 100 28.881 31.829 17.523 1.00 34.40 C +ATOM 719 O ALA B 100 29.830 32.067 18.299 1.00 34.84 O +ATOM 720 CB ALA B 100 26.895 30.497 18.288 1.00 33.07 C +ATOM 721 N ARG B 101 29.059 31.539 16.240 1.00 34.64 N +ATOM 722 CA AARG B 101 30.388 31.537 15.624 0.50 34.86 C +ATOM 723 CA BARG B 101 30.403 31.528 15.656 0.50 35.05 C +ATOM 724 C ARG B 101 31.096 32.881 15.783 1.00 35.18 C +ATOM 725 O ARG B 101 32.257 32.936 16.182 1.00 34.34 O +ATOM 726 CB AARG B 101 30.281 31.170 14.143 0.50 34.31 C +ATOM 727 CB BARG B 101 30.369 31.081 14.194 0.50 34.72 C +ATOM 728 CG AARG B 101 31.603 31.016 13.438 0.50 34.98 C +ATOM 729 CG BARG B 101 31.735 30.963 13.534 0.50 36.46 C +ATOM 730 CD AARG B 101 31.420 30.366 12.037 0.50 35.07 C +ATOM 731 CD BARG B 101 31.599 30.878 12.009 0.50 39.47 C +ATOM 732 NE AARG B 101 32.715 30.274 11.366 0.50 35.80 N +ATOM 733 NE BARG B 101 30.460 31.679 11.577 0.50 41.29 N +ATOM 734 CZ AARG B 101 33.018 29.412 10.390 0.50 35.83 C +ATOM 735 CZ BARG B 101 30.384 32.357 10.442 0.50 43.01 C +ATOM 736 NH1AARG B 101 32.119 28.540 9.937 0.50 36.02 N +ATOM 737 NH1BARG B 101 31.392 32.346 9.571 0.50 44.05 N +ATOM 738 NH2AARG B 101 34.230 29.429 9.859 0.50 33.37 N +ATOM 739 NH2BARG B 101 29.281 33.045 10.186 0.50 43.45 N +ATOM 740 N LYS B 102 30.385 33.976 15.452 1.00 36.29 N +ATOM 741 CA LYS B 102 31.000 35.318 15.537 1.00 37.01 C +ATOM 742 C LYS B 102 31.283 35.725 17.009 1.00 36.88 C +ATOM 743 O LYS B 102 32.208 36.481 17.278 1.00 36.81 O +ATOM 744 CB LYS B 102 30.208 36.376 14.722 1.00 37.34 C +ATOM 745 CG LYS B 102 29.970 35.946 13.237 1.00 39.79 C +ATOM 746 CD LYS B 102 29.009 36.812 12.363 1.00 39.65 C +ATOM 747 CE LYS B 102 29.786 37.824 11.454 1.00 42.63 C +ATOM 748 NZ LYS B 102 29.037 38.536 10.309 1.00 42.37 N +ATOM 749 N LEU B 103 30.526 35.180 17.961 1.00 36.66 N +ATOM 750 CA LEU B 103 30.710 35.527 19.350 1.00 36.37 C +ATOM 751 C LEU B 103 31.917 34.764 19.927 1.00 36.58 C +ATOM 752 O LEU B 103 32.717 35.325 20.638 1.00 36.03 O +ATOM 753 CB LEU B 103 29.421 35.309 20.139 1.00 36.02 C +ATOM 754 CG LEU B 103 29.538 35.421 21.665 1.00 36.10 C +ATOM 755 CD1 LEU B 103 29.892 36.840 22.158 1.00 33.14 C +ATOM 756 CD2 LEU B 103 28.243 34.982 22.248 1.00 37.18 C +ATOM 757 N VAL B 104 32.058 33.490 19.571 1.00 36.62 N +ATOM 758 CA VAL B 104 33.305 32.772 19.750 1.00 36.63 C +ATOM 759 C VAL B 104 34.537 33.472 19.100 1.00 38.31 C +ATOM 760 O VAL B 104 35.566 33.697 19.761 1.00 37.88 O +ATOM 761 CB VAL B 104 33.154 31.340 19.256 1.00 36.23 C +ATOM 762 CG1 VAL B 104 34.495 30.629 19.195 1.00 35.54 C +ATOM 763 CG2 VAL B 104 32.185 30.575 20.158 1.00 35.67 C +ATOM 764 N GLU B 105 34.468 33.770 17.809 1.00 39.39 N +ATOM 765 CA GLU B 105 35.578 34.450 17.164 1.00 40.80 C +ATOM 766 C GLU B 105 35.938 35.653 18.020 1.00 41.91 C +ATOM 767 O GLU B 105 37.085 35.808 18.421 1.00 42.35 O +ATOM 768 CB GLU B 105 35.204 34.884 15.748 1.00 40.76 C +ATOM 769 N ARG B 106 34.922 36.442 18.370 1.00 43.25 N +ATOM 770 CA ARG B 106 35.085 37.723 19.047 1.00 44.44 C +ATOM 771 C ARG B 106 35.711 37.689 20.427 1.00 45.03 C +ATOM 772 O ARG B 106 36.274 38.687 20.870 1.00 45.26 O +ATOM 773 CB ARG B 106 33.757 38.469 19.130 1.00 44.29 C +ATOM 774 CG ARG B 106 33.955 39.980 19.080 1.00 46.24 C +ATOM 775 CD ARG B 106 33.110 40.682 20.097 1.00 48.16 C +ATOM 776 NE ARG B 106 31.691 40.454 19.852 1.00 50.80 N +ATOM 777 CZ ARG B 106 30.726 40.809 20.699 1.00 53.22 C +ATOM 778 NH1 ARG B 106 31.041 41.419 21.849 1.00 53.48 N +ATOM 779 NH2 ARG B 106 29.448 40.553 20.400 1.00 52.37 N +ATOM 780 N LEU B 107 35.606 36.547 21.096 1.00 45.99 N +ATOM 781 CA LEU B 107 36.143 36.374 22.437 1.00 46.87 C +ATOM 782 C LEU B 107 37.633 36.043 22.435 1.00 48.55 C +ATOM 783 O LEU B 107 38.391 36.642 23.207 1.00 49.18 O +ATOM 784 CB LEU B 107 35.329 35.345 23.243 1.00 46.21 C +ATOM 785 CG LEU B 107 33.863 35.738 23.497 1.00 44.20 C +ATOM 786 CD1 LEU B 107 33.103 34.705 24.280 1.00 42.78 C +ATOM 787 CD2 LEU B 107 33.733 37.072 24.184 1.00 43.48 C +ATOM 788 N GLY B 108 38.063 35.125 21.568 1.00 50.18 N +ATOM 789 CA GLY B 108 39.483 34.749 21.474 1.00 52.03 C +ATOM 790 C GLY B 108 40.453 35.930 21.525 1.00 53.54 C +ATOM 791 O GLY B 108 41.580 35.822 22.069 1.00 53.36 O +ATOM 792 N LEU B 109 40.005 37.062 20.965 1.00 54.73 N +ATOM 793 CA LEU B 109 40.801 38.303 20.916 1.00 55.63 C +ATOM 794 C LEU B 109 40.896 38.935 22.316 1.00 55.73 C +ATOM 795 O LEU B 109 41.963 38.936 22.956 1.00 55.47 O +ATOM 796 CB LEU B 109 40.201 39.299 19.902 1.00 55.75 C +ATOM 797 CG LEU B 109 39.449 38.800 18.649 1.00 57.32 C +ATOM 798 CD1 LEU B 109 38.683 39.964 17.971 1.00 58.21 C +ATOM 799 CD2 LEU B 109 40.352 38.069 17.629 1.00 57.97 C Added: SwiftApps/modFTdock/input/indata/3brt-3.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3brt-3.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3brt-3.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,799 @@ +ATOM 1 N PRO C 701 -23.009 20.773 -7.746 1.00 80.66 N +ATOM 2 CA PRO C 701 -23.117 19.886 -8.916 1.00 80.63 C +ATOM 3 C PRO C 701 -22.102 18.726 -8.910 1.00 80.34 C +ATOM 4 O PRO C 701 -20.887 18.943 -8.822 1.00 80.22 O +ATOM 5 CB PRO C 701 -22.886 20.841 -10.094 1.00 80.66 C +ATOM 6 CG PRO C 701 -23.464 22.160 -9.600 1.00 80.77 C +ATOM 7 CD PRO C 701 -23.363 22.168 -8.072 1.00 80.79 C +ATOM 8 N ALA C 702 -22.617 17.499 -8.982 1.00 80.34 N +ATOM 9 CA ALA C 702 -21.799 16.282 -8.896 1.00 80.11 C +ATOM 10 C ALA C 702 -20.812 16.195 -10.054 1.00 79.90 C +ATOM 11 O ALA C 702 -21.217 16.210 -11.219 1.00 79.53 O +ATOM 12 CB ALA C 702 -22.689 15.038 -8.865 1.00 80.30 C +ATOM 13 N LYS C 703 -19.520 16.110 -9.720 1.00 79.59 N +ATOM 14 CA LYS C 703 -18.445 16.075 -10.723 1.00 79.11 C +ATOM 15 C LYS C 703 -18.629 14.923 -11.727 1.00 78.59 C +ATOM 16 O LYS C 703 -19.154 13.857 -11.373 1.00 78.57 O +ATOM 17 CB LYS C 703 -17.067 16.050 -10.030 1.00 78.97 C +ATOM 18 N LYS C 704 -18.249 15.139 -12.985 1.00 78.49 N +ATOM 19 CA LYS C 704 -18.214 14.035 -13.967 1.00 78.28 C +ATOM 20 C LYS C 704 -17.045 13.037 -13.670 1.00 79.56 C +ATOM 21 O LYS C 704 -16.091 13.443 -13.002 1.00 77.02 O +ATOM 22 CB LYS C 704 -18.102 14.628 -15.379 1.00 79.51 C +ATOM 23 N SER C 705 -17.133 11.758 -14.132 1.00 81.81 N +ATOM 24 CA SER C 705 -16.035 10.740 -13.964 1.00 82.82 C +ATOM 25 C SER C 705 -14.644 11.353 -14.400 1.00 80.99 C +ATOM 26 O SER C 705 -13.485 11.366 -13.499 1.00 85.03 O +ATOM 27 CB SER C 705 -16.299 9.431 -14.791 1.00 84.31 C +ATOM 28 OG SER C 705 -14.936 9.004 -15.077 1.00 93.98 O +ATOM 29 N GLU C 706 -14.774 11.884 -15.775 1.00 76.29 N +ATOM 30 CA GLU C 706 -13.519 12.616 -16.266 1.00 68.90 C +ATOM 31 C GLU C 706 -12.887 13.591 -15.254 1.00 61.95 C +ATOM 32 O GLU C 706 -11.658 13.630 -15.089 1.00 59.75 O +ATOM 33 CB GLU C 706 -13.783 13.414 -17.568 1.00 68.65 C +ATOM 34 CG GLU C 706 -14.394 12.613 -18.712 1.00 69.81 C +ATOM 35 CD GLU C 706 -15.934 12.611 -18.691 1.00 70.55 C +ATOM 36 OE1 GLU C 706 -16.528 12.455 -17.592 1.00 71.35 O +ATOM 37 OE2 GLU C 706 -16.553 12.763 -19.779 1.00 70.01 O +ATOM 38 N GLU C 707 -13.742 14.393 -14.622 1.00 54.74 N +ATOM 39 CA GLU C 707 -13.339 15.486 -13.732 1.00 48.07 C +ATOM 40 C GLU C 707 -12.704 14.962 -12.460 1.00 43.21 C +ATOM 41 O GLU C 707 -11.651 15.425 -12.069 1.00 40.61 O +ATOM 42 CB GLU C 707 -14.521 16.408 -13.418 1.00 48.31 C +ATOM 43 CG GLU C 707 -14.974 17.243 -14.619 1.00 47.68 C +ATOM 44 CD GLU C 707 -16.296 17.984 -14.385 1.00 48.67 C +ATOM 45 OE1 GLU C 707 -17.290 17.366 -13.921 1.00 50.32 O +ATOM 46 OE2 GLU C 707 -16.355 19.191 -14.694 1.00 47.97 O +ATOM 47 N LEU C 708 -13.342 13.966 -11.851 1.00 39.21 N +ATOM 48 CA LEU C 708 -12.762 13.188 -10.749 1.00 35.80 C +ATOM 49 C LEU C 708 -11.404 12.550 -11.071 1.00 33.26 C +ATOM 50 O LEU C 708 -10.527 12.507 -10.248 1.00 33.79 O +ATOM 51 CB LEU C 708 -13.740 12.096 -10.316 1.00 34.33 C +ATOM 52 CG LEU C 708 -15.013 12.552 -9.643 1.00 36.48 C +ATOM 53 CD1 LEU C 708 -15.825 11.321 -9.312 1.00 37.75 C +ATOM 54 CD2 LEU C 708 -14.754 13.408 -8.361 1.00 35.89 C +ATOM 55 N VAL C 709 -11.261 12.014 -12.269 1.00 30.47 N +ATOM 56 CA VAL C 709 -10.042 11.331 -12.663 1.00 27.73 C +ATOM 57 C VAL C 709 -8.933 12.369 -12.830 1.00 27.53 C +ATOM 58 O VAL C 709 -7.770 12.152 -12.365 1.00 28.56 O +ATOM 59 CB VAL C 709 -10.293 10.422 -13.921 1.00 27.50 C +ATOM 60 CG1 VAL C 709 -8.993 10.004 -14.667 1.00 25.86 C +ATOM 61 CG2 VAL C 709 -11.046 9.158 -13.517 1.00 26.35 C +ATOM 62 N ALA C 710 -9.267 13.501 -13.445 1.00 24.63 N +ATOM 63 CA ALA C 710 -8.308 14.541 -13.581 1.00 24.84 C +ATOM 64 C ALA C 710 -7.914 15.196 -12.254 1.00 24.38 C +ATOM 65 O ALA C 710 -6.739 15.483 -12.103 1.00 24.65 O +ATOM 66 CB ALA C 710 -8.770 15.610 -14.601 1.00 25.71 C +ATOM 67 N GLU C 711 -8.839 15.463 -11.314 1.00 24.85 N +ATOM 68 CA GLU C 711 -8.451 16.063 -9.983 1.00 24.85 C +ATOM 69 C GLU C 711 -7.472 15.104 -9.317 1.00 24.74 C +ATOM 70 O GLU C 711 -6.409 15.458 -8.864 1.00 25.96 O +ATOM 71 CB GLU C 711 -9.675 16.276 -9.072 1.00 24.79 C +ATOM 72 N ALA C 712 -7.809 13.841 -9.297 1.00 25.13 N +ATOM 73 CA ALA C 712 -6.930 12.823 -8.632 1.00 26.35 C +ATOM 74 C ALA C 712 -5.510 12.822 -9.227 1.00 26.31 C +ATOM 75 O ALA C 712 -4.496 12.708 -8.507 1.00 26.50 O +ATOM 76 CB ALA C 712 -7.567 11.375 -8.772 1.00 23.04 C +ATOM 77 N HIS C 713 -5.425 12.930 -10.555 1.00 24.68 N +ATOM 78 CA HIS C 713 -4.107 13.041 -11.179 1.00 21.68 C +ATOM 79 C HIS C 713 -3.372 14.300 -10.751 1.00 20.41 C +ATOM 80 O HIS C 713 -2.138 14.275 -10.446 1.00 18.00 O +ATOM 81 CB HIS C 713 -4.240 13.036 -12.675 1.00 21.67 C +ATOM 82 CG HIS C 713 -2.919 13.097 -13.367 1.00 25.55 C +ATOM 83 ND1 HIS C 713 -2.638 14.012 -14.354 1.00 27.24 N +ATOM 84 CD2 HIS C 713 -1.801 12.343 -13.227 1.00 29.08 C +ATOM 85 CE1 HIS C 713 -1.410 13.820 -14.804 1.00 26.20 C +ATOM 86 NE2 HIS C 713 -0.876 12.817 -14.133 1.00 29.72 N +ATOM 87 N ASN C 714 -4.137 15.392 -10.693 1.00 19.46 N +ATOM 88 CA ASN C 714 -3.593 16.706 -10.250 1.00 19.92 C +ATOM 89 C ASN C 714 -3.080 16.643 -8.852 1.00 22.57 C +ATOM 90 O ASN C 714 -2.021 17.116 -8.567 1.00 20.34 O +ATOM 91 CB ASN C 714 -4.695 17.763 -10.324 1.00 18.32 C +ATOM 92 CG ASN C 714 -5.073 18.092 -11.746 1.00 14.95 C +ATOM 93 OD1 ASN C 714 -4.263 17.942 -12.630 1.00 9.14 O +ATOM 94 ND2 ASN C 714 -6.272 18.583 -11.960 1.00 9.99 N +ATOM 95 N LEU C 715 -3.874 16.038 -7.955 1.00 28.66 N +ATOM 96 CA LEU C 715 -3.582 16.072 -6.523 1.00 30.79 C +ATOM 97 C LEU C 715 -2.415 15.089 -6.238 1.00 31.35 C +ATOM 98 O LEU C 715 -1.495 15.384 -5.499 1.00 31.55 O +ATOM 99 CB LEU C 715 -4.854 15.674 -5.781 1.00 31.76 C +ATOM 100 CG LEU C 715 -5.897 16.754 -5.887 1.00 32.08 C +ATOM 101 CD1 LEU C 715 -7.106 16.165 -5.236 1.00 32.14 C +ATOM 102 CD2 LEU C 715 -5.438 18.012 -5.046 1.00 30.32 C +ATOM 103 N CYS C 716 -2.399 13.969 -6.931 1.00 33.55 N +ATOM 104 CA CYS C 716 -1.233 13.036 -6.899 1.00 35.07 C +ATOM 105 C CYS C 716 0.149 13.625 -7.241 1.00 34.06 C +ATOM 106 O CYS C 716 1.140 13.315 -6.542 1.00 34.73 O +ATOM 107 CB CYS C 716 -1.447 11.921 -7.914 1.00 36.18 C +ATOM 108 SG CYS C 716 -2.303 10.657 -7.256 1.00 46.43 S +ATOM 109 N THR C 717 0.229 14.326 -8.375 1.00 32.24 N +ATOM 110 CA THR C 717 1.437 15.039 -8.820 1.00 32.50 C +ATOM 111 C THR C 717 1.826 16.116 -7.784 1.00 33.52 C +ATOM 112 O THR C 717 2.997 16.244 -7.387 1.00 34.98 O +ATOM 113 CB THR C 717 1.172 15.760 -10.193 1.00 34.22 C +ATOM 114 OG1 THR C 717 0.567 14.836 -11.115 1.00 33.12 O +ATOM 115 CG2 THR C 717 2.501 16.429 -10.815 1.00 30.40 C +ATOM 116 N LEU C 718 0.855 16.903 -7.354 1.00 33.35 N +ATOM 117 CA LEU C 718 1.060 17.915 -6.283 1.00 33.70 C +ATOM 118 C LEU C 718 1.630 17.254 -5.008 1.00 33.25 C +ATOM 119 O LEU C 718 2.637 17.720 -4.513 1.00 33.61 O +ATOM 120 CB LEU C 718 -0.227 18.746 -6.061 1.00 33.73 C +ATOM 121 CG LEU C 718 -0.808 19.272 -7.450 1.00 39.48 C +ATOM 122 CD1 LEU C 718 -1.970 20.240 -7.360 1.00 40.37 C +ATOM 123 CD2 LEU C 718 0.218 19.690 -8.577 1.00 37.56 C +ATOM 124 N LEU C 719 1.056 16.129 -4.548 1.00 32.27 N +ATOM 125 CA LEU C 719 1.618 15.354 -3.426 1.00 31.98 C +ATOM 126 C LEU C 719 3.030 14.810 -3.649 1.00 31.88 C +ATOM 127 O LEU C 719 3.865 14.955 -2.799 1.00 30.46 O +ATOM 128 CB LEU C 719 0.703 14.143 -3.064 1.00 33.70 C +ATOM 129 CG LEU C 719 1.135 13.381 -1.787 1.00 29.81 C +ATOM 130 CD1 LEU C 719 0.734 14.103 -0.522 1.00 26.26 C +ATOM 131 CD2 LEU C 719 0.581 11.943 -1.825 1.00 30.50 C +ATOM 132 N GLU C 720 3.315 14.206 -4.805 1.00 33.01 N +ATOM 133 CA GLU C 720 4.669 13.728 -5.081 1.00 33.65 C +ATOM 134 C GLU C 720 5.640 14.825 -4.937 1.00 32.45 C +ATOM 135 O GLU C 720 6.676 14.663 -4.336 1.00 34.11 O +ATOM 136 CB GLU C 720 4.853 13.238 -6.539 1.00 33.53 C +ATOM 137 CG GLU C 720 4.357 11.895 -6.874 1.00 36.51 C +ATOM 138 CD GLU C 720 4.823 11.475 -8.292 1.00 37.90 C +ATOM 139 OE1 GLU C 720 4.511 12.236 -9.265 1.00 40.82 O +ATOM 140 OE2 GLU C 720 5.492 10.404 -8.422 1.00 33.69 O +ATOM 141 N ASN C 721 5.378 15.907 -5.630 1.00 32.01 N +ATOM 142 CA ASN C 721 6.353 16.964 -5.713 1.00 32.35 C +ATOM 143 C ASN C 721 6.512 17.622 -4.331 1.00 32.36 C +ATOM 144 O ASN C 721 7.590 18.092 -4.009 1.00 32.13 O +ATOM 145 CB ASN C 721 5.928 17.996 -6.786 1.00 32.25 C +ATOM 146 CG ASN C 721 6.316 17.541 -8.217 1.00 32.50 C +ATOM 147 OD1 ASN C 721 7.491 17.327 -8.510 1.00 31.15 O +ATOM 148 ND2 ASN C 721 5.334 17.369 -9.073 1.00 29.76 N +ATOM 149 N ALA C 722 5.426 17.664 -3.562 1.00 31.59 N +ATOM 150 CA ALA C 722 5.427 18.291 -2.249 1.00 33.82 C +ATOM 151 C ALA C 722 6.242 17.384 -1.380 1.00 34.52 C +ATOM 152 O ALA C 722 7.037 17.852 -0.624 1.00 35.85 O +ATOM 153 CB ALA C 722 3.991 18.491 -1.708 1.00 32.61 C +ATOM 154 N ILE C 723 6.112 16.080 -1.551 1.00 35.01 N +ATOM 155 CA ILE C 723 6.931 15.178 -0.788 1.00 35.90 C +ATOM 156 C ILE C 723 8.364 15.176 -1.221 1.00 36.36 C +ATOM 157 O ILE C 723 9.236 15.199 -0.353 1.00 37.65 O +ATOM 158 CB ILE C 723 6.358 13.695 -0.711 1.00 36.69 C +ATOM 159 CG1 ILE C 723 5.156 13.637 0.246 1.00 37.64 C +ATOM 160 CG2 ILE C 723 7.443 12.707 -0.199 1.00 36.33 C +ATOM 161 CD1 ILE C 723 4.349 12.365 0.225 1.00 36.17 C +ATOM 162 N GLN C 724 8.660 15.099 -2.522 1.00 35.73 N +ATOM 163 CA GLN C 724 10.075 15.001 -2.908 1.00 36.16 C +ATOM 164 C GLN C 724 10.846 16.264 -2.486 1.00 36.52 C +ATOM 165 O GLN C 724 12.013 16.180 -2.128 1.00 36.48 O +ATOM 166 CB GLN C 724 10.290 14.709 -4.425 1.00 35.99 C +ATOM 167 N ASP C 725 10.215 17.428 -2.591 1.00 37.49 N +ATOM 168 CA ASP C 725 10.856 18.702 -2.210 1.00 39.38 C +ATOM 169 C ASP C 725 11.182 18.777 -0.707 1.00 39.31 C +ATOM 170 O ASP C 725 12.231 19.308 -0.327 1.00 39.08 O +ATOM 171 CB ASP C 725 9.967 19.880 -2.614 1.00 40.02 C +ATOM 172 CG ASP C 725 9.767 19.964 -4.131 1.00 44.17 C +ATOM 173 OD1 ASP C 725 10.751 19.753 -4.880 1.00 45.19 O +ATOM 174 OD2 ASP C 725 8.626 20.242 -4.574 1.00 49.53 O +ATOM 175 N THR C 726 10.266 18.252 0.115 1.00 39.45 N +ATOM 176 CA THR C 726 10.444 18.107 1.568 1.00 40.10 C +ATOM 177 C THR C 726 11.634 17.241 1.890 1.00 40.34 C +ATOM 178 O THR C 726 12.535 17.695 2.606 1.00 41.50 O +ATOM 179 CB THR C 726 9.182 17.500 2.237 1.00 40.18 C +ATOM 180 OG1 THR C 726 8.024 18.201 1.771 1.00 39.32 O +ATOM 181 CG2 THR C 726 9.272 17.618 3.741 1.00 40.41 C +ATOM 182 N VAL C 727 11.634 16.003 1.387 1.00 40.42 N +ATOM 183 CA VAL C 727 12.818 15.119 1.404 1.00 41.11 C +ATOM 184 C VAL C 727 14.139 15.776 0.891 1.00 41.60 C +ATOM 185 O VAL C 727 15.180 15.708 1.550 1.00 41.64 O +ATOM 186 CB VAL C 727 13.234 14.310 0.868 0.00 54.92 C +ATOM 187 CG1 VAL C 727 11.896 13.631 0.848 0.00 56.90 C +ATOM 188 CG2 VAL C 727 13.745 14.660 -0.512 0.00 54.87 C +ATOM 189 N ARG C 728 14.094 16.418 -0.268 1.00 42.11 N +ATOM 190 CA ARG C 728 15.292 17.070 -0.853 1.00 43.14 C +ATOM 191 C ARG C 728 15.851 18.246 -0.033 1.00 43.69 C +ATOM 192 O ARG C 728 17.051 18.271 0.290 1.00 43.62 O +ATOM 193 CB ARG C 728 15.034 17.526 -2.300 1.00 42.29 C +ATOM 194 N GLU C 729 14.986 19.222 0.273 1.00 44.78 N +ATOM 195 CA GLU C 729 15.378 20.437 1.015 1.00 45.51 C +ATOM 196 C GLU C 729 16.068 20.131 2.337 1.00 46.16 C +ATOM 197 O GLU C 729 17.168 20.636 2.576 1.00 46.78 O +ATOM 198 CB GLU C 729 14.182 21.367 1.247 1.00 45.69 C +ATOM 199 N GLN C 730 15.464 19.279 3.184 1.00 46.42 N +ATOM 200 CA GLN C 730 16.086 18.915 4.481 1.00 46.26 C +ATOM 201 C GLN C 730 17.435 18.213 4.336 1.00 46.21 C +ATOM 202 O GLN C 730 18.274 18.287 5.241 1.00 46.08 O +ATOM 203 CB GLN C 730 15.164 18.042 5.317 1.00 46.73 C +ATOM 204 N GLY C 731 17.609 17.538 3.195 1.00 46.58 N +ATOM 205 CA GLY C 731 18.856 16.876 2.782 1.00 46.90 C +ATOM 206 C GLY C 731 19.995 17.821 2.430 1.00 47.16 C +ATOM 207 O GLY C 731 21.089 17.368 2.062 1.00 47.88 O +ATOM 208 N ASN C 732 19.740 19.132 2.485 1.00 46.60 N +ATOM 209 CA ASN C 732 20.831 20.092 2.583 1.00 45.91 C +ATOM 210 C ASN C 732 21.001 20.319 4.091 1.00 45.02 C +ATOM 211 O ASN C 732 20.427 21.217 4.690 1.00 45.04 O +ATOM 212 CB ASN C 732 20.567 21.392 1.808 1.00 46.03 C +ATOM 213 CG ASN C 732 21.814 22.319 1.736 1.00 48.87 C +ATOM 214 OD1 ASN C 732 21.754 23.398 1.144 1.00 51.12 O +ATOM 215 ND2 ASN C 732 22.938 21.903 2.353 1.00 52.40 N +ATOM 216 N SER C 733 21.800 19.457 4.682 1.00 44.17 N +ATOM 217 CA SER C 733 21.866 19.294 6.108 1.00 43.82 C +ATOM 218 C SER C 733 22.707 20.399 6.765 1.00 43.02 C +ATOM 219 O SER C 733 23.759 20.822 6.252 1.00 41.26 O +ATOM 220 CB SER C 733 22.455 17.916 6.409 1.00 43.38 C +ATOM 221 OG SER C 733 22.272 17.573 7.775 1.00 45.58 O +ATOM 222 N MET C 734 22.254 20.854 7.925 1.00 42.75 N +ATOM 223 CA MET C 734 23.165 21.651 8.747 1.00 42.22 C +ATOM 224 C MET C 734 24.357 20.823 9.260 1.00 42.52 C +ATOM 225 O MET C 734 25.365 21.376 9.687 1.00 41.73 O +ATOM 226 CB MET C 734 22.401 22.357 9.840 1.00 42.93 C +ATOM 227 CG MET C 734 21.406 23.432 9.296 1.00 40.65 C +ATOM 228 SD MET C 734 20.787 24.479 10.629 1.00 41.88 S +ATOM 229 CE MET C 734 22.395 25.038 11.252 1.00 35.94 C +ATOM 230 N MET C 735 24.287 19.496 9.114 1.00 43.68 N +ATOM 231 CA MET C 735 25.444 18.617 9.397 1.00 45.27 C +ATOM 232 C MET C 735 26.621 18.796 8.407 1.00 45.78 C +ATOM 233 O MET C 735 27.711 18.261 8.621 1.00 46.28 O +ATOM 234 CB MET C 735 25.017 17.136 9.435 1.00 45.34 C +ATOM 235 CG MET C 735 23.819 16.753 10.394 1.00 45.77 C +ATOM 236 SD MET C 735 23.558 14.941 10.649 1.00 47.82 S +ATOM 237 CE MET C 735 23.565 14.326 8.961 1.00 48.57 C +ATOM 238 N ASN C 736 26.408 19.519 7.308 1.00 46.04 N +ATOM 239 CA ASN C 736 27.459 19.682 6.296 1.00 46.97 C +ATOM 240 C ASN C 736 28.213 21.004 6.407 1.00 46.56 C +ATOM 241 O ASN C 736 29.146 21.280 5.669 1.00 45.89 O +ATOM 242 CB ASN C 736 26.892 19.491 4.882 1.00 47.24 C +ATOM 243 CG ASN C 736 26.452 18.052 4.634 1.00 49.95 C +ATOM 244 OD1 ASN C 736 27.116 17.101 5.079 1.00 53.46 O +ATOM 245 ND2 ASN C 736 25.323 17.883 3.943 1.00 50.38 N +ATOM 246 N LEU C 737 27.812 21.807 7.366 1.00 46.16 N +ATOM 247 CA LEU C 737 28.477 23.049 7.609 1.00 46.92 C +ATOM 248 C LEU C 737 29.806 22.824 8.350 1.00 47.35 C +ATOM 249 O LEU C 737 30.079 21.703 8.798 1.00 46.84 O +ATOM 250 CB LEU C 737 27.526 23.949 8.395 1.00 47.12 C +ATOM 251 CG LEU C 737 26.402 24.749 7.706 1.00 46.49 C +ATOM 252 CD1 LEU C 737 26.181 24.539 6.220 1.00 49.41 C +ATOM 253 CD2 LEU C 737 25.145 24.516 8.470 1.00 42.83 C +ATOM 254 N ASP C 738 30.638 23.874 8.425 1.00 48.24 N +ATOM 255 CA ASP C 738 31.902 23.837 9.165 1.00 48.79 C +ATOM 256 C ASP C 738 31.583 24.137 10.631 1.00 48.45 C +ATOM 257 O ASP C 738 31.120 25.237 10.968 1.00 48.16 O +ATOM 258 CB ASP C 738 32.881 24.882 8.630 1.00 49.89 C +ATOM 259 CG ASP C 738 34.303 24.761 9.245 1.00 52.76 C +ATOM 260 OD1 ASP C 738 35.048 23.861 8.803 1.00 56.74 O +ATOM 261 OD2 ASP C 738 34.699 25.583 10.125 1.00 54.51 O +ATOM 262 N TRP C 739 31.814 23.134 11.478 1.00 47.44 N +ATOM 263 CA TRP C 739 31.527 23.222 12.876 1.00 47.35 C +ATOM 264 C TRP C 739 32.810 23.323 13.677 1.00 47.86 C +ATOM 265 O TRP C 739 32.798 23.207 14.892 1.00 48.30 O +ATOM 266 CB TRP C 739 30.725 21.994 13.283 1.00 46.54 C +ATOM 267 CG TRP C 739 29.326 22.087 12.836 1.00 45.95 C +ATOM 268 CD1 TRP C 739 28.736 21.442 11.764 1.00 46.09 C +ATOM 269 CD2 TRP C 739 28.323 22.910 13.412 1.00 45.79 C +ATOM 270 NE1 TRP C 739 27.412 21.829 11.659 1.00 46.01 N +ATOM 271 CE2 TRP C 739 27.133 22.708 12.671 1.00 45.01 C +ATOM 272 CE3 TRP C 739 28.304 23.800 14.509 1.00 47.47 C +ATOM 273 CZ2 TRP C 739 25.947 23.346 12.993 1.00 46.03 C +ATOM 274 CZ3 TRP C 739 27.122 24.456 14.820 1.00 44.60 C +ATOM 275 CH2 TRP C 739 25.961 24.230 14.061 1.00 46.40 C +ATOM 276 N SER C 740 33.920 23.552 12.990 1.00 47.39 N +ATOM 277 CA SER C 740 35.231 23.393 13.594 1.00 46.84 C +ATOM 278 C SER C 740 35.649 24.600 14.393 1.00 46.86 C +ATOM 279 O SER C 740 36.597 24.521 15.150 1.00 47.63 O +ATOM 280 CB SER C 740 36.282 23.066 12.519 1.00 46.42 C +ATOM 281 OG SER C 740 36.445 24.160 11.640 1.00 44.70 O +ATOM 282 N TRP C 741 34.961 25.720 14.216 1.00 47.07 N +ATOM 283 CA TRP C 741 35.082 26.858 15.123 1.00 46.85 C +ATOM 284 C TRP C 741 34.740 26.454 16.579 1.00 48.24 C +ATOM 285 O TRP C 741 35.020 27.201 17.544 1.00 48.13 O +ATOM 286 CB TRP C 741 34.210 28.032 14.659 1.00 45.75 C +ATOM 287 CG TRP C 741 32.761 27.692 14.498 1.00 43.71 C +ATOM 288 CD1 TRP C 741 32.153 27.219 13.372 1.00 41.46 C +ATOM 289 CD2 TRP C 741 31.736 27.757 15.516 1.00 43.68 C +ATOM 290 NE1 TRP C 741 30.820 26.980 13.623 1.00 42.70 N +ATOM 291 CE2 TRP C 741 30.539 27.312 14.930 1.00 42.83 C +ATOM 292 CE3 TRP C 741 31.715 28.167 16.863 1.00 42.03 C +ATOM 293 CZ2 TRP C 741 29.325 27.279 15.641 1.00 45.09 C +ATOM 294 CZ3 TRP C 741 30.501 28.132 17.558 1.00 41.84 C +ATOM 295 CH2 TRP C 741 29.335 27.680 16.953 1.00 42.28 C +ATOM 296 N LEU C 742 34.169 25.260 16.729 1.00 49.54 N +ATOM 297 CA LEU C 742 33.719 24.780 18.020 1.00 51.08 C +ATOM 298 C LEU C 742 34.857 24.073 18.759 1.00 52.74 C +ATOM 299 O LEU C 742 34.745 23.763 19.950 1.00 53.79 O +ATOM 300 CB LEU C 742 32.480 23.888 17.856 1.00 51.02 C +ATOM 301 CG LEU C 742 31.066 24.466 18.067 1.00 50.94 C +ATOM 302 CD1 LEU C 742 30.022 23.416 17.787 1.00 50.38 C +ATOM 303 CD2 LEU C 742 30.871 24.997 19.491 1.00 48.26 C +ATOM 304 N THR C 743 35.952 23.798 18.040 1.00 54.35 N +ATOM 305 CA THR C 743 37.258 23.487 18.668 1.00 54.94 C +ATOM 306 C THR C 743 38.427 23.943 17.773 1.00 55.03 C +ATOM 307 O THR C 743 39.157 24.889 18.108 1.00 54.97 O +ATOM 308 CB THR C 743 37.398 21.990 19.006 1.00 55.37 C +ATOM 309 OG1 THR C 743 36.101 21.377 19.008 1.00 56.25 O +ATOM 310 CG2 THR C 743 38.068 21.807 20.374 1.00 55.62 C +ATOM 312 N GLU D 49 -29.020 4.227 -24.639 1.00 57.62 N +ATOM 313 CA GLU D 49 -28.310 3.151 -23.874 1.00 57.70 C +ATOM 314 C GLU D 49 -26.969 3.590 -23.235 1.00 57.04 C +ATOM 315 O GLU D 49 -26.070 4.113 -23.925 1.00 57.38 O +ATOM 316 CB GLU D 49 -28.105 1.931 -24.772 1.00 58.44 C +ATOM 317 CG GLU D 49 -28.145 0.600 -24.024 1.00 59.86 C +ATOM 318 CD GLU D 49 -26.950 -0.272 -24.353 1.00 60.89 C +ATOM 319 OE1 GLU D 49 -27.175 -1.383 -24.901 1.00 59.65 O +ATOM 320 OE2 GLU D 49 -25.799 0.180 -24.075 1.00 60.26 O +ATOM 321 N THR D 50 -26.835 3.332 -21.926 1.00 55.42 N +ATOM 322 CA THR D 50 -25.773 3.901 -21.097 1.00 53.48 C +ATOM 323 C THR D 50 -24.844 2.891 -20.399 1.00 52.07 C +ATOM 324 O THR D 50 -23.960 3.268 -19.647 1.00 51.74 O +ATOM 325 CB THR D 50 -26.380 4.845 -20.047 1.00 53.88 C +ATOM 326 OG1 THR D 50 -27.305 4.114 -19.227 1.00 53.93 O +ATOM 327 CG2 THR D 50 -27.120 6.034 -20.728 1.00 54.53 C +ATOM 328 N LEU D 51 -25.025 1.605 -20.650 1.00 50.81 N +ATOM 329 CA LEU D 51 -24.110 0.590 -20.087 1.00 49.17 C +ATOM 330 C LEU D 51 -22.646 0.727 -20.555 1.00 48.37 C +ATOM 331 O LEU D 51 -21.730 0.773 -19.712 1.00 47.44 O +ATOM 332 CB LEU D 51 -24.637 -0.826 -20.326 1.00 48.60 C +ATOM 333 CG LEU D 51 -23.932 -1.941 -19.564 1.00 49.08 C +ATOM 334 CD1 LEU D 51 -23.667 -1.597 -18.088 1.00 48.49 C +ATOM 335 CD2 LEU D 51 -24.729 -3.247 -19.705 1.00 48.83 C +ATOM 336 N GLN D 52 -22.438 0.798 -21.878 1.00 47.03 N +ATOM 337 CA GLN D 52 -21.134 1.131 -22.451 1.00 46.72 C +ATOM 338 C GLN D 52 -20.420 2.351 -21.768 1.00 45.66 C +ATOM 339 O GLN D 52 -19.230 2.258 -21.456 1.00 44.95 O +ATOM 340 CB GLN D 52 -21.213 1.285 -23.981 1.00 46.57 C +ATOM 341 CG GLN D 52 -21.540 2.701 -24.492 1.00 48.35 C +ATOM 342 CD GLN D 52 -21.838 2.784 -26.006 1.00 49.25 C +ATOM 343 OE1 GLN D 52 -22.463 3.756 -26.476 1.00 50.95 O +ATOM 344 NE2 GLN D 52 -21.394 1.768 -26.772 1.00 51.50 N +ATOM 345 N ARG D 53 -21.139 3.454 -21.539 1.00 44.65 N +ATOM 346 CA ARG D 53 -20.556 4.650 -20.901 1.00 44.73 C +ATOM 347 C ARG D 53 -20.155 4.350 -19.457 1.00 43.89 C +ATOM 348 O ARG D 53 -19.110 4.774 -19.012 1.00 44.22 O +ATOM 349 CB ARG D 53 -21.506 5.860 -20.939 1.00 44.66 C +ATOM 350 N CYS D 54 -20.993 3.580 -18.774 1.00 42.76 N +ATOM 351 CA CYS D 54 -20.764 3.106 -17.446 1.00 41.00 C +ATOM 352 C CYS D 54 -19.566 2.194 -17.304 1.00 40.29 C +ATOM 353 O CYS D 54 -18.805 2.324 -16.345 1.00 40.95 O +ATOM 354 CB CYS D 54 -21.997 2.403 -16.954 1.00 41.51 C +ATOM 355 SG CYS D 54 -21.840 2.001 -15.262 1.00 45.42 S +ATOM 356 N LEU D 55 -19.359 1.293 -18.264 1.00 39.01 N +ATOM 357 CA LEU D 55 -18.253 0.346 -18.215 1.00 37.47 C +ATOM 358 C LEU D 55 -16.933 1.035 -18.560 1.00 36.98 C +ATOM 359 O LEU D 55 -15.896 0.753 -17.941 1.00 36.15 O +ATOM 360 CB LEU D 55 -18.527 -0.874 -19.142 1.00 37.55 C +ATOM 361 CG LEU D 55 -19.514 -1.951 -18.621 1.00 36.83 C +ATOM 362 CD1 LEU D 55 -20.120 -2.758 -19.741 1.00 35.56 C +ATOM 363 CD2 LEU D 55 -18.880 -2.911 -17.563 1.00 34.06 C +ATOM 364 N GLU D 56 -16.979 1.937 -19.534 1.00 36.94 N +ATOM 365 CA GLU D 56 -15.846 2.816 -19.846 1.00 38.10 C +ATOM 366 C GLU D 56 -15.424 3.675 -18.625 1.00 38.36 C +ATOM 367 O GLU D 56 -14.266 3.677 -18.246 1.00 39.12 O +ATOM 368 CB GLU D 56 -16.148 3.705 -21.069 1.00 38.42 C +ATOM 369 N GLU D 57 -16.365 4.338 -17.985 1.00 38.10 N +ATOM 370 CA GLU D 57 -16.057 5.119 -16.817 1.00 39.65 C +ATOM 371 C GLU D 57 -15.515 4.278 -15.667 1.00 40.20 C +ATOM 372 O GLU D 57 -14.558 4.682 -15.018 1.00 39.56 O +ATOM 373 CB GLU D 57 -17.293 5.875 -16.332 1.00 40.29 C +ATOM 374 CG GLU D 57 -17.709 7.032 -17.202 1.00 41.20 C +ATOM 375 CD GLU D 57 -18.772 7.891 -16.528 1.00 43.31 C +ATOM 376 OE1 GLU D 57 -19.244 7.483 -15.433 1.00 38.66 O +ATOM 377 OE2 GLU D 57 -19.127 8.971 -17.089 1.00 45.55 O +ATOM 378 N ASN D 58 -16.106 3.105 -15.427 1.00 40.38 N +ATOM 379 CA ASN D 58 -15.594 2.208 -14.401 1.00 40.36 C +ATOM 380 C ASN D 58 -14.165 1.823 -14.656 1.00 40.98 C +ATOM 381 O ASN D 58 -13.366 1.659 -13.725 1.00 42.04 O +ATOM 382 CB ASN D 58 -16.459 0.941 -14.261 1.00 39.86 C +ATOM 383 CG ASN D 58 -17.799 1.238 -13.619 1.00 38.01 C +ATOM 384 OD1 ASN D 58 -18.094 2.395 -13.320 1.00 31.30 O +ATOM 385 ND2 ASN D 58 -18.612 0.198 -13.393 1.00 34.60 N +ATOM 386 N GLN D 59 -13.835 1.637 -15.919 1.00 41.44 N +ATOM 387 CA GLN D 59 -12.454 1.300 -16.251 1.00 42.30 C +ATOM 388 C GLN D 59 -11.545 2.517 -15.953 1.00 41.44 C +ATOM 389 O GLN D 59 -10.529 2.378 -15.282 1.00 41.38 O +ATOM 390 CB GLN D 59 -12.349 0.820 -17.710 1.00 42.35 C +ATOM 391 CG GLN D 59 -11.004 0.203 -18.093 1.00 47.51 C +ATOM 392 CD GLN D 59 -10.736 -1.172 -17.446 1.00 51.93 C +ATOM 393 OE1 GLN D 59 -10.337 -1.267 -16.271 1.00 54.35 O +ATOM 394 NE2 GLN D 59 -10.927 -2.235 -18.227 1.00 52.77 N +ATOM 395 N GLU D 60 -11.921 3.704 -16.430 1.00 40.79 N +ATOM 396 CA GLU D 60 -11.053 4.880 -16.250 1.00 41.32 C +ATOM 397 C GLU D 60 -10.834 5.199 -14.746 1.00 40.21 C +ATOM 398 O GLU D 60 -9.744 5.635 -14.357 1.00 40.13 O +ATOM 399 CB GLU D 60 -11.536 6.155 -17.002 1.00 42.05 C +ATOM 400 CG GLU D 60 -12.229 6.018 -18.376 1.00 43.35 C +ATOM 401 CD GLU D 60 -11.329 5.515 -19.512 1.00 50.17 C +ATOM 402 OE1 GLU D 60 -10.153 5.116 -19.255 1.00 49.89 O +ATOM 403 OE2 GLU D 60 -11.820 5.519 -20.685 1.00 51.26 O +ATOM 404 N LEU D 61 -11.860 4.943 -13.938 1.00 38.86 N +ATOM 405 CA LEU D 61 -11.846 5.193 -12.511 1.00 38.60 C +ATOM 406 C LEU D 61 -10.962 4.212 -11.771 1.00 39.32 C +ATOM 407 O LEU D 61 -10.268 4.607 -10.818 1.00 39.86 O +ATOM 408 CB LEU D 61 -13.265 5.190 -11.911 1.00 38.30 C +ATOM 409 CG LEU D 61 -14.174 6.375 -12.212 1.00 37.41 C +ATOM 410 CD1 LEU D 61 -15.612 6.041 -11.870 1.00 40.43 C +ATOM 411 CD2 LEU D 61 -13.731 7.575 -11.376 1.00 38.15 C +ATOM 412 N ARG D 62 -10.973 2.941 -12.197 1.00 38.76 N +ATOM 413 CA ARG D 62 -10.140 1.918 -11.590 1.00 38.37 C +ATOM 414 C ARG D 62 -8.705 2.181 -11.885 1.00 38.41 C +ATOM 415 O ARG D 62 -7.843 1.936 -11.027 1.00 38.29 O +ATOM 416 CB ARG D 62 -10.485 0.458 -12.081 1.00 38.15 C +ATOM 417 CG ARG D 62 -11.691 -0.168 -11.406 1.00 37.16 C +ATOM 418 CD ARG D 62 -11.907 -1.616 -11.862 1.00 39.27 C +ATOM 419 NE ARG D 62 -13.328 -1.874 -11.949 1.00 41.71 N +ATOM 420 CZ ARG D 62 -13.981 -2.041 -13.091 1.00 41.86 C +ATOM 421 NH1 ARG D 62 -13.331 -2.027 -14.260 1.00 43.31 N +ATOM 422 NH2 ARG D 62 -15.276 -2.251 -13.052 1.00 42.57 N +ATOM 423 N ASP D 63 -8.438 2.631 -13.107 1.00 39.80 N +ATOM 424 CA ASP D 63 -7.078 3.046 -13.494 1.00 42.26 C +ATOM 425 C ASP D 63 -6.585 4.295 -12.735 1.00 42.25 C +ATOM 426 O ASP D 63 -5.423 4.401 -12.388 1.00 43.95 O +ATOM 427 CB ASP D 63 -6.999 3.258 -15.006 1.00 43.08 C +ATOM 428 CG ASP D 63 -7.034 1.922 -15.815 1.00 46.80 C +ATOM 429 OD1 ASP D 63 -6.690 0.824 -15.258 1.00 48.46 O +ATOM 430 OD2 ASP D 63 -7.403 1.992 -17.025 1.00 48.31 O +ATOM 431 N ALA D 64 -7.479 5.220 -12.451 1.00 42.49 N +ATOM 432 CA ALA D 64 -7.151 6.390 -11.607 1.00 41.90 C +ATOM 433 C ALA D 64 -6.743 5.889 -10.247 1.00 42.27 C +ATOM 434 O ALA D 64 -5.697 6.277 -9.778 1.00 43.61 O +ATOM 435 CB ALA D 64 -8.331 7.290 -11.473 1.00 40.06 C +ATOM 436 N ILE D 65 -7.558 5.022 -9.622 1.00 42.05 N +ATOM 437 CA ILE D 65 -7.266 4.505 -8.281 1.00 41.46 C +ATOM 438 C ILE D 65 -6.008 3.641 -8.241 1.00 42.25 C +ATOM 439 O ILE D 65 -5.203 3.758 -7.321 1.00 43.45 O +ATOM 440 CB ILE D 65 -8.444 3.713 -7.695 1.00 41.71 C +ATOM 441 CG1 ILE D 65 -9.696 4.612 -7.576 1.00 41.70 C +ATOM 442 CG2 ILE D 65 -8.078 3.170 -6.350 1.00 41.32 C +ATOM 443 CD1 ILE D 65 -10.948 3.924 -7.114 1.00 40.15 C +ATOM 444 N ARG D 66 -5.818 2.803 -9.243 1.00 42.04 N +ATOM 445 CA ARG D 66 -4.624 1.978 -9.322 1.00 43.07 C +ATOM 446 C ARG D 66 -3.374 2.838 -9.284 1.00 42.86 C +ATOM 447 O ARG D 66 -2.535 2.658 -8.395 1.00 43.46 O +ATOM 448 CB ARG D 66 -4.668 1.059 -10.572 1.00 42.69 C +ATOM 449 CG ARG D 66 -3.713 -0.154 -10.509 1.00 44.72 C +ATOM 450 CD ARG D 66 -3.736 -1.064 -11.788 1.00 44.63 C +ATOM 451 NE ARG D 66 -5.066 -1.236 -12.402 1.00 49.74 N +ATOM 452 CZ ARG D 66 -5.797 -2.358 -12.366 1.00 54.01 C +ATOM 453 NH1 ARG D 66 -5.350 -3.453 -11.726 1.00 55.62 N +ATOM 454 NH2 ARG D 66 -6.993 -2.400 -12.975 1.00 54.51 N +ATOM 455 N GLN D 67 -3.275 3.795 -10.211 1.00 42.59 N +ATOM 456 CA GLN D 67 -2.153 4.764 -10.283 1.00 43.16 C +ATOM 457 C GLN D 67 -1.874 5.573 -9.018 1.00 42.06 C +ATOM 458 O GLN D 67 -0.735 5.699 -8.602 1.00 41.88 O +ATOM 459 CB GLN D 67 -2.388 5.777 -11.406 1.00 42.59 C +ATOM 460 CG GLN D 67 -2.365 5.209 -12.791 1.00 44.96 C +ATOM 461 CD GLN D 67 -2.657 6.264 -13.879 1.00 45.75 C +ATOM 462 OE1 GLN D 67 -2.042 7.377 -13.903 1.00 47.55 O +ATOM 463 NE2 GLN D 67 -3.576 5.914 -14.803 1.00 44.78 N +ATOM 464 N SER D 68 -2.904 6.138 -8.411 1.00 41.68 N +ATOM 465 CA SER D 68 -2.666 6.890 -7.206 1.00 42.28 C +ATOM 466 C SER D 68 -2.157 5.956 -6.090 1.00 41.56 C +ATOM 467 O SER D 68 -1.240 6.275 -5.370 1.00 40.18 O +ATOM 468 CB SER D 68 -3.916 7.663 -6.795 1.00 41.68 C +ATOM 469 OG SER D 68 -4.830 6.774 -6.190 1.00 47.30 O +ATOM 470 N ASN D 69 -2.746 4.775 -5.980 1.00 43.90 N +ATOM 471 CA ASN D 69 -2.290 3.737 -5.000 1.00 43.58 C +ATOM 472 C ASN D 69 -0.790 3.521 -5.073 1.00 44.11 C +ATOM 473 O ASN D 69 -0.086 3.650 -4.064 1.00 43.49 O +ATOM 474 CB ASN D 69 -3.078 2.437 -5.201 1.00 44.12 C +ATOM 475 CG ASN D 69 -4.372 2.417 -4.403 1.00 44.35 C +ATOM 476 OD1 ASN D 69 -5.159 1.481 -4.495 1.00 46.47 O +ATOM 477 ND2 ASN D 69 -4.597 3.460 -3.613 1.00 44.38 N +ATOM 478 N GLN D 70 -0.309 3.250 -6.291 1.00 45.43 N +ATOM 479 CA GLN D 70 1.118 3.145 -6.596 1.00 46.57 C +ATOM 480 C GLN D 70 1.939 4.364 -6.111 1.00 47.65 C +ATOM 481 O GLN D 70 2.926 4.203 -5.381 1.00 48.60 O +ATOM 482 CB GLN D 70 1.330 2.898 -8.095 1.00 46.08 C +ATOM 483 CG GLN D 70 2.718 2.405 -8.444 1.00 47.48 C +ATOM 484 CD GLN D 70 3.226 1.308 -7.481 1.00 51.44 C +ATOM 485 OE1 GLN D 70 2.736 0.176 -7.500 1.00 52.76 O +ATOM 486 NE2 GLN D 70 4.240 1.640 -6.660 1.00 51.28 N +ATOM 487 N ILE D 71 1.525 5.576 -6.489 1.00 48.47 N +ATOM 488 CA ILE D 71 2.162 6.804 -5.992 1.00 48.95 C +ATOM 489 C ILE D 71 2.091 6.963 -4.463 1.00 49.39 C +ATOM 490 O ILE D 71 3.084 7.192 -3.818 1.00 48.87 O +ATOM 491 CB ILE D 71 1.594 8.039 -6.713 1.00 49.57 C +ATOM 492 CG1 ILE D 71 2.142 8.089 -8.144 1.00 49.00 C +ATOM 493 CG2 ILE D 71 1.845 9.367 -5.889 1.00 49.30 C +ATOM 494 CD1 ILE D 71 1.268 8.884 -9.078 1.00 51.20 C +ATOM 495 N LEU D 72 0.925 6.805 -3.878 1.00 51.23 N +ATOM 496 CA LEU D 72 0.834 6.724 -2.432 1.00 53.43 C +ATOM 497 C LEU D 72 1.807 5.709 -1.770 1.00 55.15 C +ATOM 498 O LEU D 72 2.466 6.046 -0.768 1.00 57.04 O +ATOM 499 CB LEU D 72 -0.621 6.480 -2.007 1.00 53.31 C +ATOM 500 CG LEU D 72 -1.562 7.680 -2.061 1.00 53.25 C +ATOM 501 CD1 LEU D 72 -2.937 7.280 -1.553 1.00 50.17 C +ATOM 502 CD2 LEU D 72 -1.001 8.861 -1.240 1.00 54.25 C +ATOM 503 N ARG D 73 1.942 4.506 -2.326 1.00 55.46 N +ATOM 504 CA ARG D 73 2.933 3.558 -1.807 1.00 56.85 C +ATOM 505 C ARG D 73 4.350 4.113 -1.804 1.00 56.60 C +ATOM 506 O ARG D 73 5.036 4.044 -0.793 1.00 56.95 O +ATOM 507 CB ARG D 73 2.901 2.183 -2.542 1.00 56.61 C +ATOM 508 CG ARG D 73 1.826 1.256 -2.015 1.00 57.62 C +ATOM 509 CD ARG D 73 1.806 -0.153 -2.685 1.00 57.49 C +ATOM 510 NE ARG D 73 1.395 -0.079 -4.089 1.00 59.13 N +ATOM 511 CZ ARG D 73 0.182 -0.385 -4.563 1.00 58.38 C +ATOM 512 NH1 ARG D 73 -0.783 -0.793 -3.745 1.00 56.06 N +ATOM 513 NH2 ARG D 73 -0.072 -0.266 -5.873 1.00 58.56 N +ATOM 514 N GLU D 74 4.778 4.668 -2.932 1.00 57.02 N +ATOM 515 CA GLU D 74 6.153 5.108 -3.058 1.00 56.86 C +ATOM 516 C GLU D 74 6.400 6.281 -2.151 1.00 56.26 C +ATOM 517 O GLU D 74 7.400 6.316 -1.469 1.00 56.00 O +ATOM 518 CB GLU D 74 6.513 5.382 -4.521 1.00 57.28 C +ATOM 519 CG GLU D 74 6.382 4.100 -5.366 1.00 58.84 C +ATOM 520 CD GLU D 74 7.032 4.200 -6.739 1.00 62.36 C +ATOM 521 OE1 GLU D 74 8.091 3.559 -6.950 1.00 62.63 O +ATOM 522 OE2 GLU D 74 6.483 4.917 -7.610 1.00 62.94 O +ATOM 523 N ARG D 75 5.441 7.194 -2.085 1.00 55.95 N +ATOM 524 CA ARG D 75 5.566 8.407 -1.292 1.00 55.92 C +ATOM 525 C ARG D 75 5.583 8.206 0.218 1.00 55.73 C +ATOM 526 O ARG D 75 6.364 8.850 0.904 1.00 55.34 O +ATOM 527 CB ARG D 75 4.453 9.396 -1.629 1.00 55.89 C +ATOM 528 CG ARG D 75 4.751 10.385 -2.757 1.00 59.22 C +ATOM 529 CD ARG D 75 6.210 10.436 -3.196 1.00 60.72 C +ATOM 530 NE ARG D 75 6.346 9.631 -4.394 1.00 65.44 N +ATOM 531 CZ ARG D 75 7.254 9.812 -5.345 1.00 67.31 C +ATOM 532 NH1 ARG D 75 8.155 10.786 -5.251 1.00 67.80 N +ATOM 533 NH2 ARG D 75 7.249 9.001 -6.401 1.00 68.76 N +ATOM 534 N CYS D 76 4.730 7.326 0.746 1.00 55.92 N +ATOM 535 CA CYS D 76 4.837 6.961 2.178 1.00 56.08 C +ATOM 536 C CYS D 76 6.188 6.334 2.535 1.00 55.13 C +ATOM 537 O CYS D 76 6.794 6.738 3.515 1.00 55.29 O +ATOM 538 CB CYS D 76 3.701 6.082 2.634 1.00 56.35 C +ATOM 539 SG CYS D 76 2.134 6.888 2.421 1.00 60.10 S +ATOM 540 N GLU D 77 6.701 5.400 1.731 1.00 54.45 N +ATOM 541 CA GLU D 77 8.044 4.865 2.017 1.00 53.71 C +ATOM 542 C GLU D 77 9.045 5.995 2.225 1.00 53.32 C +ATOM 543 O GLU D 77 9.867 5.923 3.134 1.00 53.60 O +ATOM 544 CB GLU D 77 8.553 3.905 0.933 1.00 54.15 C +ATOM 545 N GLU D 78 8.965 7.038 1.392 1.00 52.76 N +ATOM 546 CA GLU D 78 9.894 8.168 1.446 1.00 52.04 C +ATOM 547 C GLU D 78 9.743 8.984 2.715 1.00 50.67 C +ATOM 548 O GLU D 78 10.718 9.413 3.299 1.00 51.00 O +ATOM 549 CB GLU D 78 9.660 9.081 0.265 1.00 53.04 C +ATOM 550 CG GLU D 78 10.070 8.492 -1.059 1.00 55.64 C +ATOM 551 CD GLU D 78 9.981 9.507 -2.171 1.00 59.63 C +ATOM 552 OE1 GLU D 78 9.202 9.284 -3.136 1.00 62.03 O +ATOM 553 OE2 GLU D 78 10.693 10.535 -2.067 1.00 62.13 O +ATOM 554 N LEU D 79 8.504 9.190 3.125 1.00 50.01 N +ATOM 555 CA LEU D 79 8.160 9.871 4.378 1.00 48.93 C +ATOM 556 C LEU D 79 8.670 9.203 5.625 1.00 47.67 C +ATOM 557 O LEU D 79 9.129 9.887 6.523 1.00 45.09 O +ATOM 558 CB LEU D 79 6.661 9.993 4.501 1.00 48.92 C +ATOM 559 CG LEU D 79 5.911 11.317 4.363 1.00 50.98 C +ATOM 560 CD1 LEU D 79 6.688 12.443 3.742 1.00 50.25 C +ATOM 561 CD2 LEU D 79 4.585 10.977 3.645 1.00 51.37 C +ATOM 562 N LEU D 80 8.563 7.861 5.680 1.00 47.83 N +ATOM 563 CA LEU D 80 9.030 7.072 6.838 1.00 47.57 C +ATOM 564 C LEU D 80 10.540 7.214 6.977 1.00 48.32 C +ATOM 565 O LEU D 80 11.055 7.374 8.096 1.00 47.40 O +ATOM 566 CB LEU D 80 8.605 5.602 6.734 1.00 47.41 C +ATOM 567 CG LEU D 80 7.077 5.498 6.589 1.00 48.49 C +ATOM 568 CD1 LEU D 80 6.589 4.173 5.949 1.00 51.42 C +ATOM 569 CD2 LEU D 80 6.301 5.925 7.910 1.00 46.80 C +ATOM 570 N HIS D 81 11.232 7.240 5.833 1.00 48.36 N +ATOM 571 CA HIS D 81 12.655 7.476 5.839 1.00 48.69 C +ATOM 572 C HIS D 81 12.963 8.881 6.265 1.00 48.44 C +ATOM 573 O HIS D 81 13.848 9.126 7.102 1.00 49.56 O +ATOM 574 CB HIS D 81 13.226 7.200 4.466 1.00 49.35 C +ATOM 575 CG HIS D 81 13.303 5.749 4.164 1.00 52.15 C +ATOM 576 ND1 HIS D 81 14.334 4.954 4.627 1.00 54.65 N +ATOM 577 CD2 HIS D 81 12.438 4.925 3.530 1.00 53.35 C +ATOM 578 CE1 HIS D 81 14.121 3.707 4.243 1.00 55.61 C +ATOM 579 NE2 HIS D 81 12.982 3.665 3.570 1.00 55.51 N +ATOM 580 N PHE D 82 12.232 9.827 5.707 1.00 47.78 N +ATOM 581 CA PHE D 82 12.382 11.192 6.166 1.00 46.46 C +ATOM 582 C PHE D 82 12.311 11.339 7.697 1.00 45.41 C +ATOM 583 O PHE D 82 13.106 12.051 8.271 1.00 44.79 O +ATOM 584 CB PHE D 82 11.355 12.079 5.544 1.00 46.07 C +ATOM 585 CG PHE D 82 11.638 13.498 5.775 1.00 47.59 C +ATOM 586 CD1 PHE D 82 12.910 14.003 5.501 1.00 46.59 C +ATOM 587 CD2 PHE D 82 10.658 14.347 6.279 1.00 48.93 C +ATOM 588 CE1 PHE D 82 13.192 15.326 5.726 1.00 45.70 C +ATOM 589 CE2 PHE D 82 10.914 15.693 6.468 1.00 44.81 C +ATOM 590 CZ PHE D 82 12.187 16.182 6.199 1.00 46.08 C +ATOM 591 N GLN D 83 11.387 10.624 8.339 1.00 44.42 N +ATOM 592 CA GLN D 83 11.202 10.715 9.801 1.00 43.76 C +ATOM 593 C GLN D 83 12.451 10.374 10.605 1.00 43.37 C +ATOM 594 O GLN D 83 12.707 10.970 11.663 1.00 44.07 O +ATOM 595 CB GLN D 83 10.101 9.794 10.250 1.00 43.56 C +ATOM 596 CG GLN D 83 8.709 10.345 10.159 1.00 42.44 C +ATOM 597 CD GLN D 83 7.706 9.293 10.611 1.00 40.60 C +ATOM 598 OE1 GLN D 83 8.085 8.323 11.256 1.00 37.93 O +ATOM 599 NE2 GLN D 83 6.436 9.476 10.271 1.00 40.01 N +ATOM 600 N ALA D 84 13.227 9.420 10.108 1.00 42.34 N +ATOM 601 CA ALA D 84 14.516 9.090 10.711 1.00 41.55 C +ATOM 602 C ALA D 84 15.536 10.225 10.462 1.00 41.76 C +ATOM 603 O ALA D 84 16.289 10.560 11.369 1.00 41.26 O +ATOM 604 CB ALA D 84 15.025 7.737 10.134 1.00 41.17 C +ATOM 605 N SER D 85 15.584 10.785 9.225 1.00 41.67 N +ATOM 606 CA SER D 85 16.580 11.815 8.877 1.00 42.51 C +ATOM 607 C SER D 85 16.382 13.054 9.766 1.00 41.57 C +ATOM 608 O SER D 85 17.350 13.674 10.163 1.00 40.81 O +ATOM 609 CB SER D 85 16.493 12.296 7.418 1.00 41.84 C +ATOM 610 OG SER D 85 16.028 11.298 6.549 1.00 46.59 O +ATOM 611 N GLN D 86 15.110 13.397 9.974 1.00 40.87 N +ATOM 612 CA GLN D 86 14.641 14.525 10.723 1.00 41.19 C +ATOM 613 C GLN D 86 15.040 14.403 12.177 1.00 42.32 C +ATOM 614 O GLN D 86 15.404 15.405 12.819 1.00 42.87 O +ATOM 615 CB GLN D 86 13.111 14.614 10.596 1.00 40.41 C +ATOM 616 N ARG D 87 15.003 13.184 12.715 1.00 42.37 N +ATOM 617 CA ARG D 87 15.402 12.980 14.128 1.00 42.28 C +ATOM 618 C ARG D 87 16.934 12.916 14.329 1.00 42.50 C +ATOM 619 O ARG D 87 17.432 13.338 15.385 1.00 43.32 O +ATOM 620 CB ARG D 87 14.675 11.786 14.755 1.00 42.29 C +ATOM 621 N GLU D 88 17.686 12.438 13.328 1.00 42.09 N +ATOM 622 CA GLU D 88 19.168 12.491 13.364 1.00 41.21 C +ATOM 623 C GLU D 88 19.715 13.938 13.404 1.00 41.55 C +ATOM 624 O GLU D 88 20.597 14.272 14.217 1.00 39.45 O +ATOM 625 CB GLU D 88 19.797 11.759 12.196 1.00 40.10 C +ATOM 626 N GLU D 89 19.209 14.786 12.512 1.00 41.34 N +ATOM 627 CA GLU D 89 19.613 16.189 12.534 1.00 41.38 C +ATOM 628 C GLU D 89 19.140 16.982 13.785 1.00 38.74 C +ATOM 629 O GLU D 89 19.868 17.803 14.277 1.00 38.51 O +ATOM 630 CB GLU D 89 19.172 16.870 11.256 1.00 43.57 C +ATOM 631 CG GLU D 89 20.258 17.860 10.756 1.00 49.21 C +ATOM 632 CD GLU D 89 19.646 18.931 9.972 1.00 56.54 C +ATOM 633 OE1 GLU D 89 18.399 18.899 9.948 1.00 61.23 O +ATOM 634 OE2 GLU D 89 20.366 19.799 9.387 1.00 61.43 O +ATOM 635 N LYS D 90 17.935 16.710 14.253 1.00 38.44 N +ATOM 636 CA LYS D 90 17.382 17.121 15.567 1.00 39.27 C +ATOM 637 C LYS D 90 18.464 16.956 16.645 1.00 39.27 C +ATOM 638 O LYS D 90 18.926 17.919 17.273 1.00 37.64 O +ATOM 639 CB LYS D 90 16.118 16.928 15.980 0.00 53.77 C +ATOM 640 N GLU D 91 18.920 15.728 16.787 1.00 38.26 N +ATOM 641 CA GLU D 91 19.838 15.396 17.859 1.00 37.87 C +ATOM 642 C GLU D 91 21.253 15.937 17.617 1.00 37.37 C +ATOM 643 O GLU D 91 21.950 16.344 18.548 1.00 35.78 O +ATOM 644 CB GLU D 91 19.805 13.878 18.099 1.00 38.25 C +ATOM 645 N PHE D 92 21.668 15.986 16.352 1.00 36.65 N +ATOM 646 CA PHE D 92 22.921 16.657 16.039 1.00 35.62 C +ATOM 647 C PHE D 92 22.878 18.163 16.367 1.00 34.39 C +ATOM 648 O PHE D 92 23.830 18.714 16.899 1.00 33.65 O +ATOM 649 CB PHE D 92 23.226 16.441 14.567 1.00 36.21 C +ATOM 650 CG PHE D 92 24.395 17.199 14.078 1.00 34.63 C +ATOM 651 CD1 PHE D 92 25.649 16.600 14.033 1.00 34.59 C +ATOM 652 CD2 PHE D 92 24.248 18.504 13.637 1.00 32.64 C +ATOM 653 CE1 PHE D 92 26.767 17.299 13.547 1.00 34.73 C +ATOM 654 CE2 PHE D 92 25.367 19.236 13.132 1.00 34.87 C +ATOM 655 CZ PHE D 92 26.627 18.631 13.102 1.00 35.44 C +ATOM 656 N LEU D 93 21.797 18.863 16.059 1.00 34.46 N +ATOM 657 CA LEU D 93 21.834 20.316 16.320 1.00 34.40 C +ATOM 658 C LEU D 93 21.765 20.616 17.814 1.00 35.35 C +ATOM 659 O LEU D 93 22.407 21.526 18.305 1.00 36.32 O +ATOM 660 CB LEU D 93 20.734 21.014 15.596 1.00 33.48 C +ATOM 661 CG LEU D 93 21.067 20.994 14.085 1.00 34.23 C +ATOM 662 CD1 LEU D 93 19.847 21.304 13.222 1.00 35.68 C +ATOM 663 CD2 LEU D 93 22.194 21.863 13.786 1.00 29.59 C +ATOM 664 N MET D 94 20.976 19.849 18.528 1.00 34.92 N +ATOM 665 CA MET D 94 20.857 19.962 19.967 1.00 37.06 C +ATOM 666 C MET D 94 22.223 19.795 20.618 1.00 37.58 C +ATOM 667 O MET D 94 22.643 20.610 21.442 1.00 37.52 O +ATOM 668 CB MET D 94 19.874 18.912 20.458 1.00 36.90 C +ATOM 669 CG MET D 94 19.095 19.392 21.646 1.00 43.22 C +ATOM 670 SD MET D 94 18.066 20.842 21.295 1.00 44.61 S +ATOM 671 CE MET D 94 16.632 20.024 20.613 1.00 47.80 C +ATOM 672 N CYS D 95 22.952 18.783 20.184 1.00 38.48 N +ATOM 673 CA CYS D 95 24.334 18.628 20.566 1.00 38.85 C +ATOM 674 C CYS D 95 25.199 19.880 20.373 1.00 39.63 C +ATOM 675 O CYS D 95 25.940 20.285 21.304 1.00 39.45 O +ATOM 676 CB CYS D 95 24.916 17.533 19.723 1.00 39.85 C +ATOM 677 SG CYS D 95 26.398 16.890 20.356 1.00 44.18 S +ATOM 678 N LYS D 96 25.133 20.463 19.165 1.00 38.06 N +ATOM 679 CA LYS D 96 25.866 21.649 18.835 1.00 37.90 C +ATOM 680 C LYS D 96 25.396 22.907 19.617 1.00 38.39 C +ATOM 681 O LYS D 96 26.218 23.704 19.953 1.00 37.89 O +ATOM 682 CB LYS D 96 25.838 21.903 17.320 1.00 38.33 C +ATOM 683 CG LYS D 96 26.210 20.689 16.465 1.00 37.02 C +ATOM 684 CD LYS D 96 27.669 20.367 16.497 1.00 37.53 C +ATOM 685 CE LYS D 96 27.820 18.885 16.770 1.00 38.81 C +ATOM 686 NZ LYS D 96 29.237 18.460 17.041 1.00 40.22 N +ATOM 687 N PHE D 97 24.097 23.085 19.870 1.00 38.74 N +ATOM 688 CA PHE D 97 23.584 24.153 20.742 1.00 39.96 C +ATOM 689 C PHE D 97 24.330 24.045 22.101 1.00 40.74 C +ATOM 690 O PHE D 97 24.952 25.016 22.581 1.00 40.70 O +ATOM 691 CB PHE D 97 22.059 24.000 20.944 1.00 39.37 C +ATOM 692 CG PHE D 97 21.456 24.861 22.095 1.00 41.86 C +ATOM 693 CD1 PHE D 97 21.099 26.207 21.885 1.00 38.47 C +ATOM 694 CD2 PHE D 97 21.182 24.294 23.346 1.00 41.10 C +ATOM 695 CE1 PHE D 97 20.554 26.966 22.875 1.00 37.99 C +ATOM 696 CE2 PHE D 97 20.636 25.062 24.375 1.00 41.35 C +ATOM 697 CZ PHE D 97 20.315 26.404 24.137 1.00 41.71 C +ATOM 698 N GLN D 98 24.308 22.839 22.666 1.00 40.67 N +ATOM 699 CA GLN D 98 24.898 22.559 23.963 1.00 39.92 C +ATOM 700 C GLN D 98 26.376 22.890 23.991 1.00 40.12 C +ATOM 701 O GLN D 98 26.784 23.735 24.793 1.00 40.23 O +ATOM 702 CB GLN D 98 24.581 21.132 24.313 1.00 40.53 C +ATOM 703 CG GLN D 98 23.056 21.034 24.469 1.00 44.53 C +ATOM 704 CD GLN D 98 22.555 19.773 25.072 1.00 50.38 C +ATOM 705 OE1 GLN D 98 21.888 19.796 26.114 1.00 52.61 O +ATOM 706 NE2 GLN D 98 22.827 18.646 24.410 1.00 54.50 N +ATOM 707 N GLU D 99 27.158 22.322 23.070 1.00 38.87 N +ATOM 708 CA GLU D 99 28.562 22.577 23.015 1.00 39.13 C +ATOM 709 C GLU D 99 28.795 24.052 22.892 1.00 39.25 C +ATOM 710 O GLU D 99 29.707 24.582 23.544 1.00 40.36 O +ATOM 711 CB GLU D 99 29.229 21.889 21.827 1.00 39.46 C +ATOM 712 CG GLU D 99 29.287 20.386 21.970 1.00 44.80 C +ATOM 713 CD GLU D 99 29.593 19.674 20.654 1.00 52.79 C +ATOM 714 OE1 GLU D 99 30.538 20.115 19.944 1.00 55.27 O +ATOM 715 OE2 GLU D 99 28.883 18.672 20.330 1.00 55.17 O +ATOM 716 N ALA D 100 27.987 24.704 22.052 1.00 37.28 N +ATOM 717 CA ALA D 100 28.143 26.123 21.780 1.00 36.35 C +ATOM 718 C ALA D 100 27.903 26.990 23.020 1.00 34.50 C +ATOM 719 O ALA D 100 28.699 27.862 23.284 1.00 34.52 O +ATOM 720 CB ALA D 100 27.273 26.578 20.557 1.00 35.15 C +ATOM 721 N ARG D 101 26.823 26.725 23.742 1.00 34.01 N +ATOM 722 CA ARG D 101 26.521 27.288 25.062 1.00 36.62 C +ATOM 723 C ARG D 101 27.706 27.091 26.053 1.00 35.69 C +ATOM 724 O ARG D 101 28.165 28.042 26.660 1.00 37.21 O +ATOM 725 CB ARG D 101 25.181 26.668 25.609 1.00 36.44 C +ATOM 726 CG ARG D 101 24.626 27.222 26.916 1.00 37.83 C +ATOM 727 CD ARG D 101 23.253 26.588 27.434 1.00 40.29 C +ATOM 728 NE ARG D 101 22.967 25.119 27.348 1.00 51.81 N +ATOM 729 CZ ARG D 101 23.822 24.063 27.282 1.00 55.34 C +ATOM 730 NH1 ARG D 101 25.165 24.160 27.335 1.00 52.48 N +ATOM 731 NH2 ARG D 101 23.299 22.840 27.175 1.00 56.42 N +ATOM 732 N LYS D 102 28.247 25.890 26.136 1.00 35.82 N +ATOM 733 CA LYS D 102 29.382 25.541 27.044 1.00 35.62 C +ATOM 734 C LYS D 102 30.569 26.433 26.685 1.00 36.07 C +ATOM 735 O LYS D 102 31.001 27.280 27.468 1.00 34.57 O +ATOM 736 CB LYS D 102 29.542 23.976 27.056 0.00 49.97 C +ATOM 737 N LEU D 103 31.071 26.277 25.466 1.00 36.70 N +ATOM 738 CA LEU D 103 32.159 27.122 24.985 1.00 36.87 C +ATOM 739 C LEU D 103 31.955 28.601 25.351 1.00 37.29 C +ATOM 740 O LEU D 103 32.848 29.219 25.932 1.00 37.92 O +ATOM 741 CB LEU D 103 32.332 26.960 23.484 1.00 36.78 C +ATOM 742 CG LEU D 103 33.552 27.630 22.870 1.00 36.35 C +ATOM 743 CD1 LEU D 103 34.852 27.348 23.769 1.00 31.69 C +ATOM 744 CD2 LEU D 103 33.704 27.130 21.420 1.00 34.16 C +ATOM 745 N VAL D 104 30.782 29.157 25.057 1.00 37.39 N +ATOM 746 CA VAL D 104 30.571 30.597 25.272 1.00 37.08 C +ATOM 747 C VAL D 104 30.681 30.983 26.758 1.00 37.56 C +ATOM 748 O VAL D 104 31.335 32.013 27.114 1.00 36.13 O +ATOM 749 CB VAL D 104 29.238 31.096 24.653 1.00 37.45 C +ATOM 750 CG1 VAL D 104 28.727 32.411 25.354 1.00 36.13 C +ATOM 751 CG2 VAL D 104 29.377 31.262 23.128 1.00 33.92 C +ATOM 752 N GLU D 105 30.027 30.151 27.586 1.00 37.41 N +ATOM 753 CA GLU D 105 30.144 30.172 29.047 1.00 38.35 C +ATOM 754 C GLU D 105 31.596 30.158 29.502 1.00 36.95 C +ATOM 755 O GLU D 105 31.987 30.947 30.349 1.00 37.41 O +ATOM 756 CB GLU D 105 29.383 29.002 29.708 1.00 38.13 C +ATOM 757 CG GLU D 105 29.607 28.962 31.230 1.00 40.52 C +ATOM 758 CD GLU D 105 28.928 27.796 31.975 1.00 41.22 C +ATOM 759 OE1 GLU D 105 28.658 26.707 31.402 1.00 43.94 O +ATOM 760 OE2 GLU D 105 28.687 27.984 33.191 1.00 48.28 O +ATOM 761 N ARG D 106 32.402 29.280 28.928 1.00 36.72 N +ATOM 762 CA ARG D 106 33.807 29.250 29.290 1.00 37.20 C +ATOM 763 C ARG D 106 34.683 30.430 28.867 1.00 37.54 C +ATOM 764 O ARG D 106 35.528 30.865 29.649 1.00 37.44 O +ATOM 765 CB ARG D 106 34.436 28.008 28.814 1.00 36.13 C +ATOM 766 CG ARG D 106 33.987 26.859 29.547 1.00 38.45 C +ATOM 767 CD ARG D 106 35.025 25.826 29.433 1.00 40.16 C +ATOM 768 NE ARG D 106 34.686 24.765 28.524 1.00 40.70 N +ATOM 769 CZ ARG D 106 34.049 23.646 28.873 1.00 44.20 C +ATOM 770 NH1 ARG D 106 33.613 23.465 30.122 1.00 41.80 N +ATOM 771 NH2 ARG D 106 33.794 22.720 27.947 1.00 44.51 N +ATOM 772 N LEU D 107 34.532 30.904 27.635 1.00 37.43 N +ATOM 773 CA LEU D 107 35.246 32.087 27.203 1.00 37.25 C +ATOM 774 C LEU D 107 34.858 33.333 28.044 1.00 37.16 C +ATOM 775 O LEU D 107 35.728 34.073 28.486 1.00 36.59 O +ATOM 776 CB LEU D 107 34.988 32.323 25.714 1.00 37.88 C +ATOM 777 CG LEU D 107 35.858 31.850 24.526 1.00 39.60 C +ATOM 778 CD1 LEU D 107 36.977 30.846 24.856 1.00 39.77 C +ATOM 779 CD2 LEU D 107 34.972 31.393 23.348 1.00 36.03 C +ATOM 780 N GLY D 108 33.564 33.563 28.249 1.00 36.98 N +ATOM 781 CA GLY D 108 33.081 34.572 29.197 1.00 38.15 C +ATOM 782 C GLY D 108 33.800 34.554 30.540 1.00 40.00 C +ATOM 783 O GLY D 108 34.178 35.611 31.052 1.00 41.13 O +ATOM 784 N LEU D 109 34.014 33.373 31.132 1.00 40.79 N +ATOM 785 CA LEU D 109 34.865 33.277 32.359 1.00 41.51 C +ATOM 786 C LEU D 109 36.293 33.722 32.075 1.00 42.28 C +ATOM 787 O LEU D 109 36.872 34.514 32.815 1.00 42.69 O +ATOM 788 CB LEU D 109 34.900 31.844 32.871 1.00 40.79 C +ATOM 789 CG LEU D 109 33.752 31.377 33.758 1.00 40.67 C +ATOM 790 CD1 LEU D 109 33.724 29.841 33.809 1.00 35.67 C +ATOM 791 CD2 LEU D 109 33.896 32.015 35.171 1.00 39.45 C +ATOM 792 N GLU D 110 36.839 33.115 31.023 1.00 43.46 N +ATOM 793 CA GLU D 110 38.018 33.500 30.242 1.00 45.49 C +ATOM 794 C GLU D 110 39.092 32.404 30.196 1.00 46.42 C +ATOM 795 O GLU D 110 39.373 31.697 31.164 1.00 48.12 O +ATOM 796 CB GLU D 110 38.516 34.949 30.474 1.00 45.28 C +ATOM 797 CG GLU D 110 37.593 35.998 29.784 1.00 45.53 C +ATOM 798 CD GLU D 110 37.636 37.391 30.417 1.00 47.55 C +ATOM 799 OE1 GLU D 110 36.576 37.899 30.882 1.00 49.95 O +ATOM 800 OE2 GLU D 110 38.741 37.985 30.456 1.00 49.93 O Added: SwiftApps/modFTdock/input/indata/3brt-4.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3brt-4.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3brt-4.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,779 @@ +ATOM 1 N SER A 705 -11.087 -4.860 -7.336 1.00 36.93 N +ATOM 2 CA SER A 705 -11.846 -3.574 -7.352 1.00 37.33 C +ATOM 3 C SER A 705 -13.298 -3.783 -6.932 1.00 37.32 C +ATOM 4 O SER A 705 -14.211 -3.490 -7.723 1.00 37.62 O +ATOM 5 CB SER A 705 -11.807 -2.978 -8.760 1.00 37.28 C +ATOM 6 OG SER A 705 -12.965 -2.193 -9.021 1.00 37.60 O +ATOM 7 N GLU A 706 -13.549 -4.083 -5.656 1.00 37.05 N +ATOM 8 CA GLU A 706 -13.004 -3.287 -4.561 1.00 36.64 C +ATOM 9 C GLU A 706 -11.870 -3.811 -3.676 1.00 36.46 C +ATOM 10 O GLU A 706 -11.799 -3.495 -2.486 1.00 36.03 O +ATOM 11 CB GLU A 706 -14.181 -2.699 -3.731 1.00 36.78 C +ATOM 12 CG GLU A 706 -14.982 -3.759 -2.894 1.00 35.83 C +ATOM 13 CD GLU A 706 -14.619 -3.573 -1.370 1.00 34.91 C +ATOM 14 OE1 GLU A 706 -14.980 -4.510 -0.511 1.00 33.03 O +ATOM 15 OE2 GLU A 706 -13.996 -2.497 -1.017 1.00 31.72 O +ATOM 16 N GLU A 707 -10.959 -4.578 -4.256 1.00 36.60 N +ATOM 17 CA GLU A 707 -9.650 -4.729 -3.640 1.00 36.94 C +ATOM 18 C GLU A 707 -8.986 -3.343 -3.710 1.00 37.41 C +ATOM 19 O GLU A 707 -8.377 -2.890 -2.733 1.00 37.62 O +ATOM 20 CB GLU A 707 -8.810 -5.722 -4.413 1.00 36.79 C +ATOM 21 CG GLU A 707 -9.441 -7.086 -4.549 1.00 38.56 C +ATOM 22 CD GLU A 707 -8.398 -8.174 -4.618 1.00 39.62 C +ATOM 23 OE1 GLU A 707 -8.512 -9.075 -5.494 1.00 41.09 O +ATOM 24 OE2 GLU A 707 -7.458 -8.115 -3.789 1.00 40.67 O +ATOM 25 N LEU A 708 -9.121 -2.709 -4.884 1.00 36.94 N +ATOM 26 CA LEU A 708 -8.653 -1.360 -5.164 1.00 37.53 C +ATOM 27 C LEU A 708 -9.193 -0.357 -4.173 1.00 37.97 C +ATOM 28 O LEU A 708 -8.415 0.371 -3.575 1.00 39.74 O +ATOM 29 CB LEU A 708 -9.033 -0.909 -6.586 1.00 36.53 C +ATOM 30 CG LEU A 708 -8.182 -1.498 -7.707 1.00 35.66 C +ATOM 31 CD1 LEU A 708 -8.632 -1.006 -9.066 1.00 33.92 C +ATOM 32 CD2 LEU A 708 -6.714 -1.185 -7.503 1.00 35.42 C +ATOM 33 N VAL A 709 -10.513 -0.317 -4.011 1.00 37.32 N +ATOM 34 CA VAL A 709 -11.154 0.629 -3.113 1.00 36.45 C +ATOM 35 C VAL A 709 -10.698 0.436 -1.672 1.00 36.63 C +ATOM 36 O VAL A 709 -10.607 1.388 -0.923 1.00 37.77 O +ATOM 37 CB VAL A 709 -12.696 0.543 -3.223 1.00 36.38 C +ATOM 38 CG1 VAL A 709 -13.395 1.270 -2.077 1.00 34.44 C +ATOM 39 CG2 VAL A 709 -13.136 1.112 -4.566 1.00 36.14 C +ATOM 40 N ALA A 710 -10.399 -0.790 -1.279 1.00 35.95 N +ATOM 41 CA ALA A 710 -9.931 -1.042 0.079 1.00 35.27 C +ATOM 42 C ALA A 710 -8.459 -0.688 0.180 1.00 34.67 C +ATOM 43 O ALA A 710 -8.011 -0.195 1.196 1.00 34.47 O +ATOM 44 CB ALA A 710 -10.161 -2.478 0.469 1.00 34.64 C +ATOM 45 N GLU A 711 -7.715 -0.914 -0.898 1.00 34.71 N +ATOM 46 CA GLU A 711 -6.291 -0.610 -0.913 1.00 35.08 C +ATOM 47 C GLU A 711 -6.068 0.896 -0.863 1.00 34.53 C +ATOM 48 O GLU A 711 -5.116 1.333 -0.272 1.00 34.81 O +ATOM 49 CB GLU A 711 -5.595 -1.226 -2.136 1.00 35.65 C +ATOM 50 N ALA A 712 -6.979 1.673 -1.429 1.00 33.62 N +ATOM 51 CA ALA A 712 -6.828 3.104 -1.453 1.00 34.94 C +ATOM 52 C ALA A 712 -7.088 3.710 -0.075 1.00 35.28 C +ATOM 53 O ALA A 712 -6.362 4.642 0.316 1.00 35.89 O +ATOM 54 CB ALA A 712 -7.696 3.773 -2.568 1.00 32.40 C +ATOM 55 N HIS A 713 -8.084 3.195 0.656 1.00 34.99 N +ATOM 56 CA HIS A 713 -8.430 3.741 1.983 1.00 35.79 C +ATOM 57 C HIS A 713 -7.274 3.473 2.926 1.00 35.76 C +ATOM 58 O HIS A 713 -6.949 4.303 3.764 1.00 37.63 O +ATOM 59 CB HIS A 713 -9.782 3.195 2.493 1.00 36.73 C +ATOM 60 CG HIS A 713 -9.955 3.213 3.984 1.00 37.67 C +ATOM 61 ND1 HIS A 713 -10.452 4.304 4.665 1.00 39.27 N +ATOM 62 CD2 HIS A 713 -9.763 2.244 4.917 1.00 38.34 C +ATOM 63 CE1 HIS A 713 -10.529 4.019 5.956 1.00 39.32 C +ATOM 64 NE2 HIS A 713 -10.109 2.778 6.136 1.00 38.10 N +ATOM 65 N ASN A 714 -6.579 2.367 2.709 1.00 35.21 N +ATOM 66 CA ASN A 714 -5.452 1.979 3.550 1.00 34.20 C +ATOM 67 C ASN A 714 -4.202 2.745 3.251 1.00 33.60 C +ATOM 68 O ASN A 714 -3.474 3.134 4.179 1.00 34.81 O +ATOM 69 CB ASN A 714 -5.200 0.452 3.450 1.00 35.44 C +ATOM 70 N LEU A 715 -3.940 2.965 1.955 1.00 32.55 N +ATOM 71 CA LEU A 715 -2.873 3.860 1.482 1.00 29.83 C +ATOM 72 C LEU A 715 -3.068 5.253 2.088 1.00 28.58 C +ATOM 73 O LEU A 715 -2.133 5.862 2.582 1.00 27.18 O +ATOM 74 CB LEU A 715 -2.573 3.724 0.400 0.00 58.34 C +ATOM 75 N CYS A 716 -4.298 5.746 2.047 1.00 28.61 N +ATOM 76 CA CYS A 716 -4.638 7.059 2.598 1.00 29.30 C +ATOM 77 C CYS A 716 -4.429 7.151 4.096 1.00 29.57 C +ATOM 78 O CYS A 716 -3.942 8.167 4.572 1.00 27.91 O +ATOM 79 CB CYS A 716 -6.070 7.408 2.287 1.00 28.71 C +ATOM 80 SG CYS A 716 -6.302 7.969 0.614 1.00 35.93 S +ATOM 81 N THR A 717 -4.787 6.076 4.822 1.00 30.78 N +ATOM 82 CA THR A 717 -4.619 6.036 6.286 1.00 32.48 C +ATOM 83 C THR A 717 -3.156 6.115 6.728 1.00 33.15 C +ATOM 84 O THR A 717 -2.807 6.836 7.645 1.00 32.30 O +ATOM 85 CB THR A 717 -5.284 4.779 6.885 1.00 32.57 C +ATOM 86 OG1 THR A 717 -6.670 4.777 6.528 1.00 33.96 O +ATOM 87 CG2 THR A 717 -5.150 4.759 8.437 1.00 33.38 C +ATOM 88 N LEU A 718 -2.329 5.340 6.050 1.00 35.68 N +ATOM 89 CA LEU A 718 -0.873 5.340 6.143 1.00 38.35 C +ATOM 90 C LEU A 718 -0.316 6.693 5.847 1.00 39.65 C +ATOM 91 O LEU A 718 0.610 7.170 6.530 1.00 41.30 O +ATOM 92 CB LEU A 718 -0.349 4.396 5.045 1.00 38.83 C +ATOM 93 CG LEU A 718 1.026 3.716 5.059 1.00 44.29 C +ATOM 94 CD1 LEU A 718 1.387 3.111 3.681 1.00 45.43 C +ATOM 95 CD2 LEU A 718 2.058 4.754 5.436 1.00 49.22 C +ATOM 96 N LEU A 719 -0.818 7.312 4.777 1.00 39.93 N +ATOM 97 CA LEU A 719 -0.354 8.668 4.398 1.00 39.04 C +ATOM 98 C LEU A 719 -0.658 9.624 5.535 1.00 39.84 C +ATOM 99 O LEU A 719 0.228 10.415 5.897 1.00 41.39 O +ATOM 100 CB LEU A 719 -1.042 9.170 3.104 1.00 38.89 C +ATOM 101 CG LEU A 719 -0.737 10.625 2.656 1.00 38.05 C +ATOM 102 CD1 LEU A 719 0.719 10.793 2.418 1.00 33.70 C +ATOM 103 CD2 LEU A 719 -1.579 11.076 1.440 1.00 37.04 C +ATOM 104 N GLU A 720 -1.883 9.582 6.077 1.00 39.88 N +ATOM 105 CA GLU A 720 -2.297 10.590 7.098 1.00 42.16 C +ATOM 106 C GLU A 720 -1.477 10.436 8.392 1.00 42.90 C +ATOM 107 O GLU A 720 -1.079 11.421 9.007 1.00 42.27 O +ATOM 108 CB GLU A 720 -3.762 10.460 7.460 1.00 41.33 C +ATOM 109 CG GLU A 720 -4.700 10.323 6.291 1.00 44.33 C +ATOM 110 CD GLU A 720 -6.150 10.279 6.743 1.00 50.66 C +ATOM 111 OE1 GLU A 720 -6.570 11.245 7.428 1.00 55.30 O +ATOM 112 OE2 GLU A 720 -6.881 9.292 6.445 1.00 53.05 O +ATOM 113 N ASN A 721 -1.274 9.178 8.789 1.00 44.05 N +ATOM 114 CA ASN A 721 -0.403 8.802 9.905 1.00 45.67 C +ATOM 115 C ASN A 721 1.041 9.317 9.661 1.00 46.41 C +ATOM 116 O ASN A 721 1.526 10.150 10.444 1.00 47.09 O +ATOM 117 CB ASN A 721 -0.452 7.286 10.163 1.00 44.68 C +ATOM 118 CG ASN A 721 -1.806 6.817 10.706 1.00 44.78 C +ATOM 119 OD1 ASN A 721 -2.459 5.974 10.093 1.00 45.81 O +ATOM 120 ND2 ASN A 721 -2.229 7.355 11.849 1.00 41.07 N +ATOM 121 N ALA A 722 1.687 8.867 8.572 1.00 47.14 N +ATOM 122 CA ALA A 722 3.044 9.349 8.194 1.00 48.36 C +ATOM 123 C ALA A 722 3.173 10.852 8.281 1.00 48.95 C +ATOM 124 O ALA A 722 4.075 11.333 8.912 1.00 50.31 O +ATOM 125 CB ALA A 722 3.479 8.863 6.792 1.00 48.24 C +ATOM 126 N ILE A 723 2.287 11.611 7.655 1.00 50.68 N +ATOM 127 CA ILE A 723 2.394 13.082 7.746 1.00 51.32 C +ATOM 128 C ILE A 723 2.144 13.583 9.144 1.00 52.16 C +ATOM 129 O ILE A 723 2.686 14.616 9.544 1.00 52.23 O +ATOM 130 CB ILE A 723 1.443 13.791 6.785 1.00 51.99 C +ATOM 131 CG1 ILE A 723 1.868 13.454 5.352 1.00 54.01 C +ATOM 132 CG2 ILE A 723 1.426 15.328 7.021 1.00 48.24 C +ATOM 133 CD1 ILE A 723 1.106 14.228 4.283 1.00 58.71 C +ATOM 134 N GLN A 724 1.327 12.856 9.908 1.00 53.47 N +ATOM 135 CA GLN A 724 1.000 13.332 11.254 1.00 54.05 C +ATOM 136 C GLN A 724 2.218 13.279 12.182 1.00 53.10 C +ATOM 137 O GLN A 724 2.475 14.221 12.930 1.00 52.85 O +ATOM 138 CB GLN A 724 -0.242 12.650 11.822 1.00 54.81 C +ATOM 139 CG GLN A 724 -1.425 13.663 12.097 1.00 59.14 C +ATOM 140 CD GLN A 724 -1.509 14.852 11.085 1.00 62.99 C +ATOM 141 OE1 GLN A 724 -1.919 14.673 9.924 1.00 64.31 O +ATOM 142 NE2 GLN A 724 -1.137 16.066 11.542 1.00 61.40 N +ATOM 143 N ASP A 725 2.986 12.206 12.058 1.00 51.79 N +ATOM 144 CA ASP A 725 4.230 12.055 12.786 1.00 51.41 C +ATOM 145 C ASP A 725 5.450 12.828 12.185 1.00 52.10 C +ATOM 146 O ASP A 725 6.396 13.132 12.912 1.00 52.25 O +ATOM 147 CB ASP A 725 4.543 10.566 12.938 1.00 50.98 C +ATOM 148 CG ASP A 725 3.336 9.742 13.498 1.00 49.51 C +ATOM 149 OD1 ASP A 725 2.547 10.256 14.322 1.00 48.21 O +ATOM 150 OD2 ASP A 725 3.176 8.570 13.101 1.00 43.84 O +ATOM 151 N THR A 726 5.453 13.106 10.874 1.00 52.22 N +ATOM 152 CA THR A 726 6.405 14.060 10.278 1.00 53.02 C +ATOM 153 C THR A 726 6.133 15.484 10.807 1.00 53.12 C +ATOM 154 O THR A 726 7.021 16.147 11.358 1.00 53.78 O +ATOM 155 CB THR A 726 6.328 14.038 8.737 1.00 53.32 C +ATOM 156 OG1 THR A 726 6.544 12.698 8.258 1.00 53.03 O +ATOM 157 CG2 THR A 726 7.350 14.965 8.130 1.00 54.06 C +ATOM 158 N VAL A 727 4.886 15.928 10.676 1.00 53.67 N +ATOM 159 CA VAL A 727 4.433 17.232 11.179 1.00 53.71 C +ATOM 160 C VAL A 727 4.342 17.323 12.706 1.00 53.90 C +ATOM 161 O VAL A 727 4.026 18.399 13.228 1.00 54.62 O +ATOM 162 CB VAL A 727 3.043 17.618 10.560 1.00 53.90 C +ATOM 163 CG1 VAL A 727 2.473 18.922 11.177 1.00 54.44 C +ATOM 164 CG2 VAL A 727 3.153 17.759 9.053 1.00 54.28 C +ATOM 165 N ARG A 728 4.591 16.224 13.431 1.00 53.45 N +ATOM 166 CA ARG A 728 4.563 16.274 14.908 1.00 52.59 C +ATOM 167 C ARG A 728 5.869 16.744 15.537 1.00 51.89 C +ATOM 168 O ARG A 728 5.872 17.776 16.194 1.00 51.74 O +ATOM 169 CB ARG A 728 4.132 14.940 15.526 1.00 53.42 C +ATOM 170 N GLU A 729 6.958 15.987 15.329 1.00 51.17 N +ATOM 171 CA GLU A 729 8.310 16.282 15.874 1.00 50.07 C +ATOM 172 C GLU A 729 8.769 17.737 15.678 1.00 49.50 C +ATOM 173 O GLU A 729 9.516 18.272 16.500 1.00 48.71 O +ATOM 174 CB GLU A 729 9.957 16.049 16.530 0.00 65.19 C +ATOM 175 N GLN A 730 8.314 18.345 14.575 1.00 48.86 N +ATOM 176 CA GLN A 730 8.367 19.791 14.317 1.00 48.39 C +ATOM 177 C GLN A 730 7.861 20.651 15.493 1.00 47.97 C +ATOM 178 O GLN A 730 8.459 21.668 15.814 1.00 48.08 O +ATOM 179 CB GLN A 730 7.565 20.092 13.046 1.00 48.54 C +ATOM 180 CG GLN A 730 6.984 21.510 12.885 1.00 49.32 C +ATOM 181 CD GLN A 730 5.493 21.511 12.475 1.00 50.07 C +ATOM 182 OE1 GLN A 730 5.141 21.808 11.331 1.00 49.31 O +ATOM 183 NE2 GLN A 730 4.622 21.165 13.418 1.00 49.96 N +ATOM 184 N GLY A 731 6.762 20.233 16.120 1.00 47.66 N +ATOM 185 CA GLY A 731 6.213 20.860 17.341 1.00 46.44 C +ATOM 186 C GLY A 731 7.198 21.191 18.466 1.00 45.68 C +ATOM 187 O GLY A 731 6.996 22.166 19.212 1.00 45.53 O +ATOM 188 N ASN A 732 8.260 20.394 18.604 1.00 44.30 N +ATOM 189 CA ASN A 732 9.324 20.739 19.555 1.00 43.12 C +ATOM 190 C ASN A 732 10.521 21.442 18.852 1.00 41.70 C +ATOM 191 O ASN A 732 11.520 20.846 18.435 1.00 41.33 O +ATOM 192 CB ASN A 732 9.667 19.566 20.517 1.00 43.30 C +ATOM 193 CG ASN A 732 8.876 18.274 20.196 1.00 42.95 C +ATOM 194 OD1 ASN A 732 7.655 18.198 20.390 1.00 39.23 O +ATOM 195 ND2 ASN A 732 9.585 17.265 19.691 1.00 42.75 N +ATOM 196 N SER A 733 10.353 22.747 18.717 1.00 40.48 N +ATOM 197 CA SER A 733 11.194 23.568 17.875 1.00 39.81 C +ATOM 198 C SER A 733 12.282 24.175 18.734 1.00 39.04 C +ATOM 199 O SER A 733 12.034 24.572 19.853 1.00 38.84 O +ATOM 200 CB SER A 733 10.328 24.643 17.184 1.00 40.28 C +ATOM 201 OG SER A 733 10.982 25.909 17.116 1.00 40.31 O +ATOM 202 N MET A 734 13.494 24.225 18.208 1.00 37.96 N +ATOM 203 CA MET A 734 14.612 24.787 18.915 1.00 37.49 C +ATOM 204 C MET A 734 14.493 26.302 19.004 1.00 37.26 C +ATOM 205 O MET A 734 15.295 26.962 19.636 1.00 37.34 O +ATOM 206 CB MET A 734 15.912 24.371 18.254 1.00 37.39 C +ATOM 207 CG MET A 734 16.257 22.896 18.424 1.00 36.10 C +ATOM 208 SD MET A 734 17.776 22.431 17.521 1.00 38.49 S +ATOM 209 CE MET A 734 19.091 23.219 18.491 1.00 34.05 C +ATOM 210 N MET A 735 13.468 26.865 18.389 1.00 37.27 N +ATOM 211 CA MET A 735 13.172 28.257 18.628 1.00 37.75 C +ATOM 212 C MET A 735 12.745 28.510 20.091 1.00 37.38 C +ATOM 213 O MET A 735 12.836 29.645 20.604 1.00 37.21 O +ATOM 214 CB MET A 735 12.135 28.745 17.594 1.00 38.10 C +ATOM 215 CG MET A 735 12.616 28.567 16.110 1.00 37.27 C +ATOM 216 SD MET A 735 11.451 29.117 14.824 1.00 40.26 S +ATOM 217 CE MET A 735 10.870 30.609 15.659 1.00 38.90 C +ATOM 218 N ASN A 736 12.305 27.452 20.781 1.00 37.20 N +ATOM 219 CA ASN A 736 11.817 27.604 22.164 1.00 37.05 C +ATOM 220 C ASN A 736 12.910 27.468 23.186 1.00 36.95 C +ATOM 221 O ASN A 736 12.589 27.465 24.393 1.00 37.96 O +ATOM 222 CB ASN A 736 10.749 26.570 22.526 1.00 36.81 C +ATOM 223 CG ASN A 736 9.526 26.695 21.693 1.00 38.46 C +ATOM 224 OD1 ASN A 736 8.967 27.787 21.533 1.00 41.95 O +ATOM 225 ND2 ASN A 736 9.077 25.577 21.155 1.00 40.96 N +ATOM 226 N LEU A 737 14.156 27.254 22.750 1.00 35.39 N +ATOM 227 CA LEU A 737 15.245 27.093 23.712 1.00 35.46 C +ATOM 228 C LEU A 737 15.705 28.445 24.178 1.00 37.18 C +ATOM 229 O LEU A 737 15.348 29.480 23.573 1.00 36.85 O +ATOM 230 CB LEU A 737 16.416 26.346 23.118 1.00 35.01 C +ATOM 231 CG LEU A 737 16.216 24.913 22.621 1.00 34.37 C +ATOM 232 CD1 LEU A 737 17.365 24.578 21.678 1.00 27.40 C +ATOM 233 CD2 LEU A 737 16.181 23.991 23.854 1.00 31.81 C +ATOM 234 N ASP A 738 16.480 28.452 25.265 1.00 37.90 N +ATOM 235 CA ASP A 738 17.114 29.672 25.713 1.00 38.68 C +ATOM 236 C ASP A 738 18.353 30.010 24.896 1.00 37.71 C +ATOM 237 O ASP A 738 19.417 29.422 25.107 1.00 37.52 O +ATOM 238 CB ASP A 738 17.491 29.611 27.195 1.00 40.11 C +ATOM 239 CG ASP A 738 18.061 30.945 27.706 1.00 44.01 C +ATOM 240 OD1 ASP A 738 17.472 32.017 27.396 1.00 44.57 O +ATOM 241 OD2 ASP A 738 19.114 30.918 28.404 1.00 49.55 O +ATOM 242 N TRP A 739 18.217 31.006 24.015 1.00 36.08 N +ATOM 243 CA TRP A 739 19.334 31.546 23.260 1.00 34.28 C +ATOM 244 C TRP A 739 19.984 32.804 23.857 1.00 34.72 C +ATOM 245 O TRP A 739 20.946 33.336 23.269 1.00 33.89 O +ATOM 246 CB TRP A 739 18.839 31.836 21.853 1.00 35.06 C +ATOM 247 CG TRP A 739 18.440 30.600 21.157 1.00 34.58 C +ATOM 248 CD1 TRP A 739 17.195 30.054 21.093 1.00 34.35 C +ATOM 249 CD2 TRP A 739 19.308 29.717 20.488 1.00 32.68 C +ATOM 250 NE1 TRP A 739 17.231 28.873 20.397 1.00 35.11 N +ATOM 251 CE2 TRP A 739 18.525 28.656 19.998 1.00 36.15 C +ATOM 252 CE3 TRP A 739 20.667 29.756 20.187 1.00 33.00 C +ATOM 253 CZ2 TRP A 739 19.063 27.632 19.225 1.00 35.51 C +ATOM 254 CZ3 TRP A 739 21.217 28.724 19.469 1.00 35.63 C +ATOM 255 CH2 TRP A 739 20.411 27.690 18.955 1.00 35.82 C +ATOM 256 N SER A 740 19.498 33.257 25.032 1.00 33.85 N +ATOM 257 CA SER A 740 19.946 34.503 25.666 1.00 32.82 C +ATOM 258 C SER A 740 21.399 34.614 26.008 1.00 33.00 C +ATOM 259 O SER A 740 21.877 35.719 26.154 1.00 33.67 O +ATOM 260 CB SER A 740 19.109 34.853 26.908 1.00 34.03 C +ATOM 261 OG SER A 740 19.299 33.903 27.959 1.00 33.65 O +ATOM 262 N TRP A 741 22.117 33.502 26.117 1.00 34.05 N +ATOM 263 CA TRP A 741 23.585 33.493 26.322 1.00 34.72 C +ATOM 264 C TRP A 741 24.338 34.049 25.122 1.00 36.89 C +ATOM 265 O TRP A 741 25.569 34.275 25.183 1.00 36.82 O +ATOM 266 CB TRP A 741 24.089 32.075 26.574 1.00 34.45 C +ATOM 267 CG TRP A 741 23.562 31.059 25.601 1.00 35.02 C +ATOM 268 CD1 TRP A 741 22.367 30.377 25.691 1.00 35.56 C +ATOM 269 CD2 TRP A 741 24.156 30.655 24.359 1.00 32.16 C +ATOM 270 NE1 TRP A 741 22.204 29.566 24.593 1.00 34.65 N +ATOM 271 CE2 TRP A 741 23.294 29.691 23.778 1.00 32.42 C +ATOM 272 CE3 TRP A 741 25.366 30.948 23.722 1.00 32.16 C +ATOM 273 CZ2 TRP A 741 23.589 29.046 22.568 1.00 34.61 C +ATOM 274 CZ3 TRP A 741 25.668 30.299 22.509 1.00 32.73 C +ATOM 275 CH2 TRP A 741 24.763 29.376 21.939 1.00 33.77 C +ATOM 276 N LEU A 742 23.613 34.249 24.018 1.00 38.34 N +ATOM 277 CA LEU A 742 24.160 34.945 22.855 1.00 40.13 C +ATOM 278 C LEU A 742 24.254 36.417 23.151 1.00 41.89 C +ATOM 279 O LEU A 742 25.150 37.087 22.682 1.00 42.64 O +ATOM 280 CB LEU A 742 23.332 34.661 21.562 1.00 40.02 C +ATOM 281 CG LEU A 742 23.722 33.310 20.881 1.00 38.72 C +ATOM 282 CD1 LEU A 742 22.863 32.827 19.679 1.00 40.20 C +ATOM 283 CD2 LEU A 742 25.114 33.400 20.432 1.00 35.68 C +ATOM 284 N THR A 743 23.347 36.919 23.973 1.00 44.20 N +ATOM 285 CA THR A 743 23.228 38.336 24.182 1.00 46.56 C +ATOM 286 C THR A 743 23.617 38.731 25.606 1.00 47.43 C +ATOM 287 O THR A 743 24.774 39.136 25.813 1.00 48.25 O +ATOM 288 CB THR A 743 21.802 38.818 23.862 1.00 47.18 C +ATOM 289 OG1 THR A 743 20.848 37.862 24.358 1.00 49.50 O +ATOM 290 CG2 THR A 743 21.625 38.981 22.339 1.00 48.89 C +ATOM 292 N GLU D 49 -29.020 4.227 -24.639 1.00 57.62 N +ATOM 293 CA GLU D 49 -28.310 3.151 -23.874 1.00 57.70 C +ATOM 294 C GLU D 49 -26.969 3.590 -23.235 1.00 57.04 C +ATOM 295 O GLU D 49 -26.070 4.113 -23.925 1.00 57.38 O +ATOM 296 CB GLU D 49 -28.105 1.931 -24.772 1.00 58.44 C +ATOM 297 CG GLU D 49 -28.145 0.600 -24.024 1.00 59.86 C +ATOM 298 CD GLU D 49 -26.950 -0.272 -24.353 1.00 60.89 C +ATOM 299 OE1 GLU D 49 -27.175 -1.383 -24.901 1.00 59.65 O +ATOM 300 OE2 GLU D 49 -25.799 0.180 -24.075 1.00 60.26 O +ATOM 301 N THR D 50 -26.835 3.332 -21.926 1.00 55.42 N +ATOM 302 CA THR D 50 -25.773 3.901 -21.097 1.00 53.48 C +ATOM 303 C THR D 50 -24.844 2.891 -20.399 1.00 52.07 C +ATOM 304 O THR D 50 -23.960 3.268 -19.647 1.00 51.74 O +ATOM 305 CB THR D 50 -26.380 4.845 -20.047 1.00 53.88 C +ATOM 306 OG1 THR D 50 -27.305 4.114 -19.227 1.00 53.93 O +ATOM 307 CG2 THR D 50 -27.120 6.034 -20.728 1.00 54.53 C +ATOM 308 N LEU D 51 -25.025 1.605 -20.650 1.00 50.81 N +ATOM 309 CA LEU D 51 -24.110 0.590 -20.087 1.00 49.17 C +ATOM 310 C LEU D 51 -22.646 0.727 -20.555 1.00 48.37 C +ATOM 311 O LEU D 51 -21.730 0.773 -19.712 1.00 47.44 O +ATOM 312 CB LEU D 51 -24.637 -0.826 -20.326 1.00 48.60 C +ATOM 313 CG LEU D 51 -23.932 -1.941 -19.564 1.00 49.08 C +ATOM 314 CD1 LEU D 51 -23.667 -1.597 -18.088 1.00 48.49 C +ATOM 315 CD2 LEU D 51 -24.729 -3.247 -19.705 1.00 48.83 C +ATOM 316 N GLN D 52 -22.438 0.798 -21.878 1.00 47.03 N +ATOM 317 CA GLN D 52 -21.134 1.131 -22.451 1.00 46.72 C +ATOM 318 C GLN D 52 -20.420 2.351 -21.768 1.00 45.66 C +ATOM 319 O GLN D 52 -19.230 2.258 -21.456 1.00 44.95 O +ATOM 320 CB GLN D 52 -21.213 1.285 -23.981 1.00 46.57 C +ATOM 321 CG GLN D 52 -21.540 2.701 -24.492 1.00 48.35 C +ATOM 322 CD GLN D 52 -21.838 2.784 -26.006 1.00 49.25 C +ATOM 323 OE1 GLN D 52 -22.463 3.756 -26.476 1.00 50.95 O +ATOM 324 NE2 GLN D 52 -21.394 1.768 -26.772 1.00 51.50 N +ATOM 325 N ARG D 53 -21.139 3.454 -21.539 1.00 44.65 N +ATOM 326 CA ARG D 53 -20.556 4.650 -20.901 1.00 44.73 C +ATOM 327 C ARG D 53 -20.155 4.350 -19.457 1.00 43.89 C +ATOM 328 O ARG D 53 -19.110 4.774 -19.012 1.00 44.22 O +ATOM 329 CB ARG D 53 -21.506 5.860 -20.939 1.00 44.66 C +ATOM 330 N CYS D 54 -20.993 3.580 -18.774 1.00 42.76 N +ATOM 331 CA CYS D 54 -20.764 3.106 -17.446 1.00 41.00 C +ATOM 332 C CYS D 54 -19.566 2.194 -17.304 1.00 40.29 C +ATOM 333 O CYS D 54 -18.805 2.324 -16.345 1.00 40.95 O +ATOM 334 CB CYS D 54 -21.997 2.403 -16.954 1.00 41.51 C +ATOM 335 SG CYS D 54 -21.840 2.001 -15.262 1.00 45.42 S +ATOM 336 N LEU D 55 -19.359 1.293 -18.264 1.00 39.01 N +ATOM 337 CA LEU D 55 -18.253 0.346 -18.215 1.00 37.47 C +ATOM 338 C LEU D 55 -16.933 1.035 -18.560 1.00 36.98 C +ATOM 339 O LEU D 55 -15.896 0.753 -17.941 1.00 36.15 O +ATOM 340 CB LEU D 55 -18.527 -0.874 -19.142 1.00 37.55 C +ATOM 341 CG LEU D 55 -19.514 -1.951 -18.621 1.00 36.83 C +ATOM 342 CD1 LEU D 55 -20.120 -2.758 -19.741 1.00 35.56 C +ATOM 343 CD2 LEU D 55 -18.880 -2.911 -17.563 1.00 34.06 C +ATOM 344 N GLU D 56 -16.979 1.937 -19.534 1.00 36.94 N +ATOM 345 CA GLU D 56 -15.846 2.816 -19.846 1.00 38.10 C +ATOM 346 C GLU D 56 -15.424 3.675 -18.625 1.00 38.36 C +ATOM 347 O GLU D 56 -14.266 3.677 -18.246 1.00 39.12 O +ATOM 348 CB GLU D 56 -16.148 3.705 -21.069 1.00 38.42 C +ATOM 349 N GLU D 57 -16.365 4.338 -17.985 1.00 38.10 N +ATOM 350 CA GLU D 57 -16.057 5.119 -16.817 1.00 39.65 C +ATOM 351 C GLU D 57 -15.515 4.278 -15.667 1.00 40.20 C +ATOM 352 O GLU D 57 -14.558 4.682 -15.018 1.00 39.56 O +ATOM 353 CB GLU D 57 -17.293 5.875 -16.332 1.00 40.29 C +ATOM 354 CG GLU D 57 -17.709 7.032 -17.202 1.00 41.20 C +ATOM 355 CD GLU D 57 -18.772 7.891 -16.528 1.00 43.31 C +ATOM 356 OE1 GLU D 57 -19.244 7.483 -15.433 1.00 38.66 O +ATOM 357 OE2 GLU D 57 -19.127 8.971 -17.089 1.00 45.55 O +ATOM 358 N ASN D 58 -16.106 3.105 -15.427 1.00 40.38 N +ATOM 359 CA ASN D 58 -15.594 2.208 -14.401 1.00 40.36 C +ATOM 360 C ASN D 58 -14.165 1.823 -14.656 1.00 40.98 C +ATOM 361 O ASN D 58 -13.366 1.659 -13.725 1.00 42.04 O +ATOM 362 CB ASN D 58 -16.459 0.941 -14.261 1.00 39.86 C +ATOM 363 CG ASN D 58 -17.799 1.238 -13.619 1.00 38.01 C +ATOM 364 OD1 ASN D 58 -18.094 2.395 -13.320 1.00 31.30 O +ATOM 365 ND2 ASN D 58 -18.612 0.198 -13.393 1.00 34.60 N +ATOM 366 N GLN D 59 -13.835 1.637 -15.919 1.00 41.44 N +ATOM 367 CA GLN D 59 -12.454 1.300 -16.251 1.00 42.30 C +ATOM 368 C GLN D 59 -11.545 2.517 -15.953 1.00 41.44 C +ATOM 369 O GLN D 59 -10.529 2.378 -15.282 1.00 41.38 O +ATOM 370 CB GLN D 59 -12.349 0.820 -17.710 1.00 42.35 C +ATOM 371 CG GLN D 59 -11.004 0.203 -18.093 1.00 47.51 C +ATOM 372 CD GLN D 59 -10.736 -1.172 -17.446 1.00 51.93 C +ATOM 373 OE1 GLN D 59 -10.337 -1.267 -16.271 1.00 54.35 O +ATOM 374 NE2 GLN D 59 -10.927 -2.235 -18.227 1.00 52.77 N +ATOM 375 N GLU D 60 -11.921 3.704 -16.430 1.00 40.79 N +ATOM 376 CA GLU D 60 -11.053 4.880 -16.250 1.00 41.32 C +ATOM 377 C GLU D 60 -10.834 5.199 -14.746 1.00 40.21 C +ATOM 378 O GLU D 60 -9.744 5.635 -14.357 1.00 40.13 O +ATOM 379 CB GLU D 60 -11.536 6.155 -17.002 1.00 42.05 C +ATOM 380 CG GLU D 60 -12.229 6.018 -18.376 1.00 43.35 C +ATOM 381 CD GLU D 60 -11.329 5.515 -19.512 1.00 50.17 C +ATOM 382 OE1 GLU D 60 -10.153 5.116 -19.255 1.00 49.89 O +ATOM 383 OE2 GLU D 60 -11.820 5.519 -20.685 1.00 51.26 O +ATOM 384 N LEU D 61 -11.860 4.943 -13.938 1.00 38.86 N +ATOM 385 CA LEU D 61 -11.846 5.193 -12.511 1.00 38.60 C +ATOM 386 C LEU D 61 -10.962 4.212 -11.771 1.00 39.32 C +ATOM 387 O LEU D 61 -10.268 4.607 -10.818 1.00 39.86 O +ATOM 388 CB LEU D 61 -13.265 5.190 -11.911 1.00 38.30 C +ATOM 389 CG LEU D 61 -14.174 6.375 -12.212 1.00 37.41 C +ATOM 390 CD1 LEU D 61 -15.612 6.041 -11.870 1.00 40.43 C +ATOM 391 CD2 LEU D 61 -13.731 7.575 -11.376 1.00 38.15 C +ATOM 392 N ARG D 62 -10.973 2.941 -12.197 1.00 38.76 N +ATOM 393 CA ARG D 62 -10.140 1.918 -11.590 1.00 38.37 C +ATOM 394 C ARG D 62 -8.705 2.181 -11.885 1.00 38.41 C +ATOM 395 O ARG D 62 -7.843 1.936 -11.027 1.00 38.29 O +ATOM 396 CB ARG D 62 -10.485 0.458 -12.081 1.00 38.15 C +ATOM 397 CG ARG D 62 -11.691 -0.168 -11.406 1.00 37.16 C +ATOM 398 CD ARG D 62 -11.907 -1.616 -11.862 1.00 39.27 C +ATOM 399 NE ARG D 62 -13.328 -1.874 -11.949 1.00 41.71 N +ATOM 400 CZ ARG D 62 -13.981 -2.041 -13.091 1.00 41.86 C +ATOM 401 NH1 ARG D 62 -13.331 -2.027 -14.260 1.00 43.31 N +ATOM 402 NH2 ARG D 62 -15.276 -2.251 -13.052 1.00 42.57 N +ATOM 403 N ASP D 63 -8.438 2.631 -13.107 1.00 39.80 N +ATOM 404 CA ASP D 63 -7.078 3.046 -13.494 1.00 42.26 C +ATOM 405 C ASP D 63 -6.585 4.295 -12.735 1.00 42.25 C +ATOM 406 O ASP D 63 -5.423 4.401 -12.388 1.00 43.95 O +ATOM 407 CB ASP D 63 -6.999 3.258 -15.006 1.00 43.08 C +ATOM 408 CG ASP D 63 -7.034 1.922 -15.815 1.00 46.80 C +ATOM 409 OD1 ASP D 63 -6.690 0.824 -15.258 1.00 48.46 O +ATOM 410 OD2 ASP D 63 -7.403 1.992 -17.025 1.00 48.31 O +ATOM 411 N ALA D 64 -7.479 5.220 -12.451 1.00 42.49 N +ATOM 412 CA ALA D 64 -7.151 6.390 -11.607 1.00 41.90 C +ATOM 413 C ALA D 64 -6.743 5.889 -10.247 1.00 42.27 C +ATOM 414 O ALA D 64 -5.697 6.277 -9.778 1.00 43.61 O +ATOM 415 CB ALA D 64 -8.331 7.290 -11.473 1.00 40.06 C +ATOM 416 N ILE D 65 -7.558 5.022 -9.622 1.00 42.05 N +ATOM 417 CA ILE D 65 -7.266 4.505 -8.281 1.00 41.46 C +ATOM 418 C ILE D 65 -6.008 3.641 -8.241 1.00 42.25 C +ATOM 419 O ILE D 65 -5.203 3.758 -7.321 1.00 43.45 O +ATOM 420 CB ILE D 65 -8.444 3.713 -7.695 1.00 41.71 C +ATOM 421 CG1 ILE D 65 -9.696 4.612 -7.576 1.00 41.70 C +ATOM 422 CG2 ILE D 65 -8.078 3.170 -6.350 1.00 41.32 C +ATOM 423 CD1 ILE D 65 -10.948 3.924 -7.114 1.00 40.15 C +ATOM 424 N ARG D 66 -5.818 2.803 -9.243 1.00 42.04 N +ATOM 425 CA ARG D 66 -4.624 1.978 -9.322 1.00 43.07 C +ATOM 426 C ARG D 66 -3.374 2.838 -9.284 1.00 42.86 C +ATOM 427 O ARG D 66 -2.535 2.658 -8.395 1.00 43.46 O +ATOM 428 CB ARG D 66 -4.668 1.059 -10.572 1.00 42.69 C +ATOM 429 CG ARG D 66 -3.713 -0.154 -10.509 1.00 44.72 C +ATOM 430 CD ARG D 66 -3.736 -1.064 -11.788 1.00 44.63 C +ATOM 431 NE ARG D 66 -5.066 -1.236 -12.402 1.00 49.74 N +ATOM 432 CZ ARG D 66 -5.797 -2.358 -12.366 1.00 54.01 C +ATOM 433 NH1 ARG D 66 -5.350 -3.453 -11.726 1.00 55.62 N +ATOM 434 NH2 ARG D 66 -6.993 -2.400 -12.975 1.00 54.51 N +ATOM 435 N GLN D 67 -3.275 3.795 -10.211 1.00 42.59 N +ATOM 436 CA GLN D 67 -2.153 4.764 -10.283 1.00 43.16 C +ATOM 437 C GLN D 67 -1.874 5.573 -9.018 1.00 42.06 C +ATOM 438 O GLN D 67 -0.735 5.699 -8.602 1.00 41.88 O +ATOM 439 CB GLN D 67 -2.388 5.777 -11.406 1.00 42.59 C +ATOM 440 CG GLN D 67 -2.365 5.209 -12.791 1.00 44.96 C +ATOM 441 CD GLN D 67 -2.657 6.264 -13.879 1.00 45.75 C +ATOM 442 OE1 GLN D 67 -2.042 7.377 -13.903 1.00 47.55 O +ATOM 443 NE2 GLN D 67 -3.576 5.914 -14.803 1.00 44.78 N +ATOM 444 N SER D 68 -2.904 6.138 -8.411 1.00 41.68 N +ATOM 445 CA SER D 68 -2.666 6.890 -7.206 1.00 42.28 C +ATOM 446 C SER D 68 -2.157 5.956 -6.090 1.00 41.56 C +ATOM 447 O SER D 68 -1.240 6.275 -5.370 1.00 40.18 O +ATOM 448 CB SER D 68 -3.916 7.663 -6.795 1.00 41.68 C +ATOM 449 OG SER D 68 -4.830 6.774 -6.190 1.00 47.30 O +ATOM 450 N ASN D 69 -2.746 4.775 -5.980 1.00 43.90 N +ATOM 451 CA ASN D 69 -2.290 3.737 -5.000 1.00 43.58 C +ATOM 452 C ASN D 69 -0.790 3.521 -5.073 1.00 44.11 C +ATOM 453 O ASN D 69 -0.086 3.650 -4.064 1.00 43.49 O +ATOM 454 CB ASN D 69 -3.078 2.437 -5.201 1.00 44.12 C +ATOM 455 CG ASN D 69 -4.372 2.417 -4.403 1.00 44.35 C +ATOM 456 OD1 ASN D 69 -5.159 1.481 -4.495 1.00 46.47 O +ATOM 457 ND2 ASN D 69 -4.597 3.460 -3.613 1.00 44.38 N +ATOM 458 N GLN D 70 -0.309 3.250 -6.291 1.00 45.43 N +ATOM 459 CA GLN D 70 1.118 3.145 -6.596 1.00 46.57 C +ATOM 460 C GLN D 70 1.939 4.364 -6.111 1.00 47.65 C +ATOM 461 O GLN D 70 2.926 4.203 -5.381 1.00 48.60 O +ATOM 462 CB GLN D 70 1.330 2.898 -8.095 1.00 46.08 C +ATOM 463 CG GLN D 70 2.718 2.405 -8.444 1.00 47.48 C +ATOM 464 CD GLN D 70 3.226 1.308 -7.481 1.00 51.44 C +ATOM 465 OE1 GLN D 70 2.736 0.176 -7.500 1.00 52.76 O +ATOM 466 NE2 GLN D 70 4.240 1.640 -6.660 1.00 51.28 N +ATOM 467 N ILE D 71 1.525 5.576 -6.489 1.00 48.47 N +ATOM 468 CA ILE D 71 2.162 6.804 -5.992 1.00 48.95 C +ATOM 469 C ILE D 71 2.091 6.963 -4.463 1.00 49.39 C +ATOM 470 O ILE D 71 3.084 7.192 -3.818 1.00 48.87 O +ATOM 471 CB ILE D 71 1.594 8.039 -6.713 1.00 49.57 C +ATOM 472 CG1 ILE D 71 2.142 8.089 -8.144 1.00 49.00 C +ATOM 473 CG2 ILE D 71 1.845 9.367 -5.889 1.00 49.30 C +ATOM 474 CD1 ILE D 71 1.268 8.884 -9.078 1.00 51.20 C +ATOM 475 N LEU D 72 0.925 6.805 -3.878 1.00 51.23 N +ATOM 476 CA LEU D 72 0.834 6.724 -2.432 1.00 53.43 C +ATOM 477 C LEU D 72 1.807 5.709 -1.770 1.00 55.15 C +ATOM 478 O LEU D 72 2.466 6.046 -0.768 1.00 57.04 O +ATOM 479 CB LEU D 72 -0.621 6.480 -2.007 1.00 53.31 C +ATOM 480 CG LEU D 72 -1.562 7.680 -2.061 1.00 53.25 C +ATOM 481 CD1 LEU D 72 -2.937 7.280 -1.553 1.00 50.17 C +ATOM 482 CD2 LEU D 72 -1.001 8.861 -1.240 1.00 54.25 C +ATOM 483 N ARG D 73 1.942 4.506 -2.326 1.00 55.46 N +ATOM 484 CA ARG D 73 2.933 3.558 -1.807 1.00 56.85 C +ATOM 485 C ARG D 73 4.350 4.113 -1.804 1.00 56.60 C +ATOM 486 O ARG D 73 5.036 4.044 -0.793 1.00 56.95 O +ATOM 487 CB ARG D 73 2.901 2.183 -2.542 1.00 56.61 C +ATOM 488 CG ARG D 73 1.826 1.256 -2.015 1.00 57.62 C +ATOM 489 CD ARG D 73 1.806 -0.153 -2.685 1.00 57.49 C +ATOM 490 NE ARG D 73 1.395 -0.079 -4.089 1.00 59.13 N +ATOM 491 CZ ARG D 73 0.182 -0.385 -4.563 1.00 58.38 C +ATOM 492 NH1 ARG D 73 -0.783 -0.793 -3.745 1.00 56.06 N +ATOM 493 NH2 ARG D 73 -0.072 -0.266 -5.873 1.00 58.56 N +ATOM 494 N GLU D 74 4.778 4.668 -2.932 1.00 57.02 N +ATOM 495 CA GLU D 74 6.153 5.108 -3.058 1.00 56.86 C +ATOM 496 C GLU D 74 6.400 6.281 -2.151 1.00 56.26 C +ATOM 497 O GLU D 74 7.400 6.316 -1.469 1.00 56.00 O +ATOM 498 CB GLU D 74 6.513 5.382 -4.521 1.00 57.28 C +ATOM 499 CG GLU D 74 6.382 4.100 -5.366 1.00 58.84 C +ATOM 500 CD GLU D 74 7.032 4.200 -6.739 1.00 62.36 C +ATOM 501 OE1 GLU D 74 8.091 3.559 -6.950 1.00 62.63 O +ATOM 502 OE2 GLU D 74 6.483 4.917 -7.610 1.00 62.94 O +ATOM 503 N ARG D 75 5.441 7.194 -2.085 1.00 55.95 N +ATOM 504 CA ARG D 75 5.566 8.407 -1.292 1.00 55.92 C +ATOM 505 C ARG D 75 5.583 8.206 0.218 1.00 55.73 C +ATOM 506 O ARG D 75 6.364 8.850 0.904 1.00 55.34 O +ATOM 507 CB ARG D 75 4.453 9.396 -1.629 1.00 55.89 C +ATOM 508 CG ARG D 75 4.751 10.385 -2.757 1.00 59.22 C +ATOM 509 CD ARG D 75 6.210 10.436 -3.196 1.00 60.72 C +ATOM 510 NE ARG D 75 6.346 9.631 -4.394 1.00 65.44 N +ATOM 511 CZ ARG D 75 7.254 9.812 -5.345 1.00 67.31 C +ATOM 512 NH1 ARG D 75 8.155 10.786 -5.251 1.00 67.80 N +ATOM 513 NH2 ARG D 75 7.249 9.001 -6.401 1.00 68.76 N +ATOM 514 N CYS D 76 4.730 7.326 0.746 1.00 55.92 N +ATOM 515 CA CYS D 76 4.837 6.961 2.178 1.00 56.08 C +ATOM 516 C CYS D 76 6.188 6.334 2.535 1.00 55.13 C +ATOM 517 O CYS D 76 6.794 6.738 3.515 1.00 55.29 O +ATOM 518 CB CYS D 76 3.701 6.082 2.634 1.00 56.35 C +ATOM 519 SG CYS D 76 2.134 6.888 2.421 1.00 60.10 S +ATOM 520 N GLU D 77 6.701 5.400 1.731 1.00 54.45 N +ATOM 521 CA GLU D 77 8.044 4.865 2.017 1.00 53.71 C +ATOM 522 C GLU D 77 9.045 5.995 2.225 1.00 53.32 C +ATOM 523 O GLU D 77 9.867 5.923 3.134 1.00 53.60 O +ATOM 524 CB GLU D 77 8.553 3.905 0.933 1.00 54.15 C +ATOM 525 N GLU D 78 8.965 7.038 1.392 1.00 52.76 N +ATOM 526 CA GLU D 78 9.894 8.168 1.446 1.00 52.04 C +ATOM 527 C GLU D 78 9.743 8.984 2.715 1.00 50.67 C +ATOM 528 O GLU D 78 10.718 9.413 3.299 1.00 51.00 O +ATOM 529 CB GLU D 78 9.660 9.081 0.265 1.00 53.04 C +ATOM 530 CG GLU D 78 10.070 8.492 -1.059 1.00 55.64 C +ATOM 531 CD GLU D 78 9.981 9.507 -2.171 1.00 59.63 C +ATOM 532 OE1 GLU D 78 9.202 9.284 -3.136 1.00 62.03 O +ATOM 533 OE2 GLU D 78 10.693 10.535 -2.067 1.00 62.13 O +ATOM 534 N LEU D 79 8.504 9.190 3.125 1.00 50.01 N +ATOM 535 CA LEU D 79 8.160 9.871 4.378 1.00 48.93 C +ATOM 536 C LEU D 79 8.670 9.203 5.625 1.00 47.67 C +ATOM 537 O LEU D 79 9.129 9.887 6.523 1.00 45.09 O +ATOM 538 CB LEU D 79 6.661 9.993 4.501 1.00 48.92 C +ATOM 539 CG LEU D 79 5.911 11.317 4.363 1.00 50.98 C +ATOM 540 CD1 LEU D 79 6.688 12.443 3.742 1.00 50.25 C +ATOM 541 CD2 LEU D 79 4.585 10.977 3.645 1.00 51.37 C +ATOM 542 N LEU D 80 8.563 7.861 5.680 1.00 47.83 N +ATOM 543 CA LEU D 80 9.030 7.072 6.838 1.00 47.57 C +ATOM 544 C LEU D 80 10.540 7.214 6.977 1.00 48.32 C +ATOM 545 O LEU D 80 11.055 7.374 8.096 1.00 47.40 O +ATOM 546 CB LEU D 80 8.605 5.602 6.734 1.00 47.41 C +ATOM 547 CG LEU D 80 7.077 5.498 6.589 1.00 48.49 C +ATOM 548 CD1 LEU D 80 6.589 4.173 5.949 1.00 51.42 C +ATOM 549 CD2 LEU D 80 6.301 5.925 7.910 1.00 46.80 C +ATOM 550 N HIS D 81 11.232 7.240 5.833 1.00 48.36 N +ATOM 551 CA HIS D 81 12.655 7.476 5.839 1.00 48.69 C +ATOM 552 C HIS D 81 12.963 8.881 6.265 1.00 48.44 C +ATOM 553 O HIS D 81 13.848 9.126 7.102 1.00 49.56 O +ATOM 554 CB HIS D 81 13.226 7.200 4.466 1.00 49.35 C +ATOM 555 CG HIS D 81 13.303 5.749 4.164 1.00 52.15 C +ATOM 556 ND1 HIS D 81 14.334 4.954 4.627 1.00 54.65 N +ATOM 557 CD2 HIS D 81 12.438 4.925 3.530 1.00 53.35 C +ATOM 558 CE1 HIS D 81 14.121 3.707 4.243 1.00 55.61 C +ATOM 559 NE2 HIS D 81 12.982 3.665 3.570 1.00 55.51 N +ATOM 560 N PHE D 82 12.232 9.827 5.707 1.00 47.78 N +ATOM 561 CA PHE D 82 12.382 11.192 6.166 1.00 46.46 C +ATOM 562 C PHE D 82 12.311 11.339 7.697 1.00 45.41 C +ATOM 563 O PHE D 82 13.106 12.051 8.271 1.00 44.79 O +ATOM 564 CB PHE D 82 11.355 12.079 5.544 1.00 46.07 C +ATOM 565 CG PHE D 82 11.638 13.498 5.775 1.00 47.59 C +ATOM 566 CD1 PHE D 82 12.910 14.003 5.501 1.00 46.59 C +ATOM 567 CD2 PHE D 82 10.658 14.347 6.279 1.00 48.93 C +ATOM 568 CE1 PHE D 82 13.192 15.326 5.726 1.00 45.70 C +ATOM 569 CE2 PHE D 82 10.914 15.693 6.468 1.00 44.81 C +ATOM 570 CZ PHE D 82 12.187 16.182 6.199 1.00 46.08 C +ATOM 571 N GLN D 83 11.387 10.624 8.339 1.00 44.42 N +ATOM 572 CA GLN D 83 11.202 10.715 9.801 1.00 43.76 C +ATOM 573 C GLN D 83 12.451 10.374 10.605 1.00 43.37 C +ATOM 574 O GLN D 83 12.707 10.970 11.663 1.00 44.07 O +ATOM 575 CB GLN D 83 10.101 9.794 10.250 1.00 43.56 C +ATOM 576 CG GLN D 83 8.709 10.345 10.159 1.00 42.44 C +ATOM 577 CD GLN D 83 7.706 9.293 10.611 1.00 40.60 C +ATOM 578 OE1 GLN D 83 8.085 8.323 11.256 1.00 37.93 O +ATOM 579 NE2 GLN D 83 6.436 9.476 10.271 1.00 40.01 N +ATOM 580 N ALA D 84 13.227 9.420 10.108 1.00 42.34 N +ATOM 581 CA ALA D 84 14.516 9.090 10.711 1.00 41.55 C +ATOM 582 C ALA D 84 15.536 10.225 10.462 1.00 41.76 C +ATOM 583 O ALA D 84 16.289 10.560 11.369 1.00 41.26 O +ATOM 584 CB ALA D 84 15.025 7.737 10.134 1.00 41.17 C +ATOM 585 N SER D 85 15.584 10.785 9.225 1.00 41.67 N +ATOM 586 CA SER D 85 16.580 11.815 8.877 1.00 42.51 C +ATOM 587 C SER D 85 16.382 13.054 9.766 1.00 41.57 C +ATOM 588 O SER D 85 17.350 13.674 10.163 1.00 40.81 O +ATOM 589 CB SER D 85 16.493 12.296 7.418 1.00 41.84 C +ATOM 590 OG SER D 85 16.028 11.298 6.549 1.00 46.59 O +ATOM 591 N GLN D 86 15.110 13.397 9.974 1.00 40.87 N +ATOM 592 CA GLN D 86 14.641 14.525 10.723 1.00 41.19 C +ATOM 593 C GLN D 86 15.040 14.403 12.177 1.00 42.32 C +ATOM 594 O GLN D 86 15.404 15.405 12.819 1.00 42.87 O +ATOM 595 CB GLN D 86 13.111 14.614 10.596 1.00 40.41 C +ATOM 596 N ARG D 87 15.003 13.184 12.715 1.00 42.37 N +ATOM 597 CA ARG D 87 15.402 12.980 14.128 1.00 42.28 C +ATOM 598 C ARG D 87 16.934 12.916 14.329 1.00 42.50 C +ATOM 599 O ARG D 87 17.432 13.338 15.385 1.00 43.32 O +ATOM 600 CB ARG D 87 14.675 11.786 14.755 1.00 42.29 C +ATOM 601 N GLU D 88 17.686 12.438 13.328 1.00 42.09 N +ATOM 602 CA GLU D 88 19.168 12.491 13.364 1.00 41.21 C +ATOM 603 C GLU D 88 19.715 13.938 13.404 1.00 41.55 C +ATOM 604 O GLU D 88 20.597 14.272 14.217 1.00 39.45 O +ATOM 605 CB GLU D 88 19.797 11.759 12.196 1.00 40.10 C +ATOM 606 N GLU D 89 19.209 14.786 12.512 1.00 41.34 N +ATOM 607 CA GLU D 89 19.613 16.189 12.534 1.00 41.38 C +ATOM 608 C GLU D 89 19.140 16.982 13.785 1.00 38.74 C +ATOM 609 O GLU D 89 19.868 17.803 14.277 1.00 38.51 O +ATOM 610 CB GLU D 89 19.172 16.870 11.256 1.00 43.57 C +ATOM 611 CG GLU D 89 20.258 17.860 10.756 1.00 49.21 C +ATOM 612 CD GLU D 89 19.646 18.931 9.972 1.00 56.54 C +ATOM 613 OE1 GLU D 89 18.399 18.899 9.948 1.00 61.23 O +ATOM 614 OE2 GLU D 89 20.366 19.799 9.387 1.00 61.43 O +ATOM 615 N LYS D 90 17.935 16.710 14.253 1.00 38.44 N +ATOM 616 CA LYS D 90 17.382 17.121 15.567 1.00 39.27 C +ATOM 617 C LYS D 90 18.464 16.956 16.645 1.00 39.27 C +ATOM 618 O LYS D 90 18.926 17.919 17.273 1.00 37.64 O +ATOM 619 CB LYS D 90 16.118 16.928 15.980 0.00 53.77 C +ATOM 620 N GLU D 91 18.920 15.728 16.787 1.00 38.26 N +ATOM 621 CA GLU D 91 19.838 15.396 17.859 1.00 37.87 C +ATOM 622 C GLU D 91 21.253 15.937 17.617 1.00 37.37 C +ATOM 623 O GLU D 91 21.950 16.344 18.548 1.00 35.78 O +ATOM 624 CB GLU D 91 19.805 13.878 18.099 1.00 38.25 C +ATOM 625 N PHE D 92 21.668 15.986 16.352 1.00 36.65 N +ATOM 626 CA PHE D 92 22.921 16.657 16.039 1.00 35.62 C +ATOM 627 C PHE D 92 22.878 18.163 16.367 1.00 34.39 C +ATOM 628 O PHE D 92 23.830 18.714 16.899 1.00 33.65 O +ATOM 629 CB PHE D 92 23.226 16.441 14.567 1.00 36.21 C +ATOM 630 CG PHE D 92 24.395 17.199 14.078 1.00 34.63 C +ATOM 631 CD1 PHE D 92 25.649 16.600 14.033 1.00 34.59 C +ATOM 632 CD2 PHE D 92 24.248 18.504 13.637 1.00 32.64 C +ATOM 633 CE1 PHE D 92 26.767 17.299 13.547 1.00 34.73 C +ATOM 634 CE2 PHE D 92 25.367 19.236 13.132 1.00 34.87 C +ATOM 635 CZ PHE D 92 26.627 18.631 13.102 1.00 35.44 C +ATOM 636 N LEU D 93 21.797 18.863 16.059 1.00 34.46 N +ATOM 637 CA LEU D 93 21.834 20.316 16.320 1.00 34.40 C +ATOM 638 C LEU D 93 21.765 20.616 17.814 1.00 35.35 C +ATOM 639 O LEU D 93 22.407 21.526 18.305 1.00 36.32 O +ATOM 640 CB LEU D 93 20.734 21.014 15.596 1.00 33.48 C +ATOM 641 CG LEU D 93 21.067 20.994 14.085 1.00 34.23 C +ATOM 642 CD1 LEU D 93 19.847 21.304 13.222 1.00 35.68 C +ATOM 643 CD2 LEU D 93 22.194 21.863 13.786 1.00 29.59 C +ATOM 644 N MET D 94 20.976 19.849 18.528 1.00 34.92 N +ATOM 645 CA MET D 94 20.857 19.962 19.967 1.00 37.06 C +ATOM 646 C MET D 94 22.223 19.795 20.618 1.00 37.58 C +ATOM 647 O MET D 94 22.643 20.610 21.442 1.00 37.52 O +ATOM 648 CB MET D 94 19.874 18.912 20.458 1.00 36.90 C +ATOM 649 CG MET D 94 19.095 19.392 21.646 1.00 43.22 C +ATOM 650 SD MET D 94 18.066 20.842 21.295 1.00 44.61 S +ATOM 651 CE MET D 94 16.632 20.024 20.613 1.00 47.80 C +ATOM 652 N CYS D 95 22.952 18.783 20.184 1.00 38.48 N +ATOM 653 CA CYS D 95 24.334 18.628 20.566 1.00 38.85 C +ATOM 654 C CYS D 95 25.199 19.880 20.373 1.00 39.63 C +ATOM 655 O CYS D 95 25.940 20.285 21.304 1.00 39.45 O +ATOM 656 CB CYS D 95 24.916 17.533 19.723 1.00 39.85 C +ATOM 657 SG CYS D 95 26.398 16.890 20.356 1.00 44.18 S +ATOM 658 N LYS D 96 25.133 20.463 19.165 1.00 38.06 N +ATOM 659 CA LYS D 96 25.866 21.649 18.835 1.00 37.90 C +ATOM 660 C LYS D 96 25.396 22.907 19.617 1.00 38.39 C +ATOM 661 O LYS D 96 26.218 23.704 19.953 1.00 37.89 O +ATOM 662 CB LYS D 96 25.838 21.903 17.320 1.00 38.33 C +ATOM 663 CG LYS D 96 26.210 20.689 16.465 1.00 37.02 C +ATOM 664 CD LYS D 96 27.669 20.367 16.497 1.00 37.53 C +ATOM 665 CE LYS D 96 27.820 18.885 16.770 1.00 38.81 C +ATOM 666 NZ LYS D 96 29.237 18.460 17.041 1.00 40.22 N +ATOM 667 N PHE D 97 24.097 23.085 19.870 1.00 38.74 N +ATOM 668 CA PHE D 97 23.584 24.153 20.742 1.00 39.96 C +ATOM 669 C PHE D 97 24.330 24.045 22.101 1.00 40.74 C +ATOM 670 O PHE D 97 24.952 25.016 22.581 1.00 40.70 O +ATOM 671 CB PHE D 97 22.059 24.000 20.944 1.00 39.37 C +ATOM 672 CG PHE D 97 21.456 24.861 22.095 1.00 41.86 C +ATOM 673 CD1 PHE D 97 21.099 26.207 21.885 1.00 38.47 C +ATOM 674 CD2 PHE D 97 21.182 24.294 23.346 1.00 41.10 C +ATOM 675 CE1 PHE D 97 20.554 26.966 22.875 1.00 37.99 C +ATOM 676 CE2 PHE D 97 20.636 25.062 24.375 1.00 41.35 C +ATOM 677 CZ PHE D 97 20.315 26.404 24.137 1.00 41.71 C +ATOM 678 N GLN D 98 24.308 22.839 22.666 1.00 40.67 N +ATOM 679 CA GLN D 98 24.898 22.559 23.963 1.00 39.92 C +ATOM 680 C GLN D 98 26.376 22.890 23.991 1.00 40.12 C +ATOM 681 O GLN D 98 26.784 23.735 24.793 1.00 40.23 O +ATOM 682 CB GLN D 98 24.581 21.132 24.313 1.00 40.53 C +ATOM 683 CG GLN D 98 23.056 21.034 24.469 1.00 44.53 C +ATOM 684 CD GLN D 98 22.555 19.773 25.072 1.00 50.38 C +ATOM 685 OE1 GLN D 98 21.888 19.796 26.114 1.00 52.61 O +ATOM 686 NE2 GLN D 98 22.827 18.646 24.410 1.00 54.50 N +ATOM 687 N GLU D 99 27.158 22.322 23.070 1.00 38.87 N +ATOM 688 CA GLU D 99 28.562 22.577 23.015 1.00 39.13 C +ATOM 689 C GLU D 99 28.795 24.052 22.892 1.00 39.25 C +ATOM 690 O GLU D 99 29.707 24.582 23.544 1.00 40.36 O +ATOM 691 CB GLU D 99 29.229 21.889 21.827 1.00 39.46 C +ATOM 692 CG GLU D 99 29.287 20.386 21.970 1.00 44.80 C +ATOM 693 CD GLU D 99 29.593 19.674 20.654 1.00 52.79 C +ATOM 694 OE1 GLU D 99 30.538 20.115 19.944 1.00 55.27 O +ATOM 695 OE2 GLU D 99 28.883 18.672 20.330 1.00 55.17 O +ATOM 696 N ALA D 100 27.987 24.704 22.052 1.00 37.28 N +ATOM 697 CA ALA D 100 28.143 26.123 21.780 1.00 36.35 C +ATOM 698 C ALA D 100 27.903 26.990 23.020 1.00 34.50 C +ATOM 699 O ALA D 100 28.699 27.862 23.284 1.00 34.52 O +ATOM 700 CB ALA D 100 27.273 26.578 20.557 1.00 35.15 C +ATOM 701 N ARG D 101 26.823 26.725 23.742 1.00 34.01 N +ATOM 702 CA ARG D 101 26.521 27.288 25.062 1.00 36.62 C +ATOM 703 C ARG D 101 27.706 27.091 26.053 1.00 35.69 C +ATOM 704 O ARG D 101 28.165 28.042 26.660 1.00 37.21 O +ATOM 705 CB ARG D 101 25.181 26.668 25.609 1.00 36.44 C +ATOM 706 CG ARG D 101 24.626 27.222 26.916 1.00 37.83 C +ATOM 707 CD ARG D 101 23.253 26.588 27.434 1.00 40.29 C +ATOM 708 NE ARG D 101 22.967 25.119 27.348 1.00 51.81 N +ATOM 709 CZ ARG D 101 23.822 24.063 27.282 1.00 55.34 C +ATOM 710 NH1 ARG D 101 25.165 24.160 27.335 1.00 52.48 N +ATOM 711 NH2 ARG D 101 23.299 22.840 27.175 1.00 56.42 N +ATOM 712 N LYS D 102 28.247 25.890 26.136 1.00 35.82 N +ATOM 713 CA LYS D 102 29.382 25.541 27.044 1.00 35.62 C +ATOM 714 C LYS D 102 30.569 26.433 26.685 1.00 36.07 C +ATOM 715 O LYS D 102 31.001 27.280 27.468 1.00 34.57 O +ATOM 716 CB LYS D 102 29.542 23.976 27.056 0.00 49.97 C +ATOM 717 N LEU D 103 31.071 26.277 25.466 1.00 36.70 N +ATOM 718 CA LEU D 103 32.159 27.122 24.985 1.00 36.87 C +ATOM 719 C LEU D 103 31.955 28.601 25.351 1.00 37.29 C +ATOM 720 O LEU D 103 32.848 29.219 25.932 1.00 37.92 O +ATOM 721 CB LEU D 103 32.332 26.960 23.484 1.00 36.78 C +ATOM 722 CG LEU D 103 33.552 27.630 22.870 1.00 36.35 C +ATOM 723 CD1 LEU D 103 34.852 27.348 23.769 1.00 31.69 C +ATOM 724 CD2 LEU D 103 33.704 27.130 21.420 1.00 34.16 C +ATOM 725 N VAL D 104 30.782 29.157 25.057 1.00 37.39 N +ATOM 726 CA VAL D 104 30.571 30.597 25.272 1.00 37.08 C +ATOM 727 C VAL D 104 30.681 30.983 26.758 1.00 37.56 C +ATOM 728 O VAL D 104 31.335 32.013 27.114 1.00 36.13 O +ATOM 729 CB VAL D 104 29.238 31.096 24.653 1.00 37.45 C +ATOM 730 CG1 VAL D 104 28.727 32.411 25.354 1.00 36.13 C +ATOM 731 CG2 VAL D 104 29.377 31.262 23.128 1.00 33.92 C +ATOM 732 N GLU D 105 30.027 30.151 27.586 1.00 37.41 N +ATOM 733 CA GLU D 105 30.144 30.172 29.047 1.00 38.35 C +ATOM 734 C GLU D 105 31.596 30.158 29.502 1.00 36.95 C +ATOM 735 O GLU D 105 31.987 30.947 30.349 1.00 37.41 O +ATOM 736 CB GLU D 105 29.383 29.002 29.708 1.00 38.13 C +ATOM 737 CG GLU D 105 29.607 28.962 31.230 1.00 40.52 C +ATOM 738 CD GLU D 105 28.928 27.796 31.975 1.00 41.22 C +ATOM 739 OE1 GLU D 105 28.658 26.707 31.402 1.00 43.94 O +ATOM 740 OE2 GLU D 105 28.687 27.984 33.191 1.00 48.28 O +ATOM 741 N ARG D 106 32.402 29.280 28.928 1.00 36.72 N +ATOM 742 CA ARG D 106 33.807 29.250 29.290 1.00 37.20 C +ATOM 743 C ARG D 106 34.683 30.430 28.867 1.00 37.54 C +ATOM 744 O ARG D 106 35.528 30.865 29.649 1.00 37.44 O +ATOM 745 CB ARG D 106 34.436 28.008 28.814 1.00 36.13 C +ATOM 746 CG ARG D 106 33.987 26.859 29.547 1.00 38.45 C +ATOM 747 CD ARG D 106 35.025 25.826 29.433 1.00 40.16 C +ATOM 748 NE ARG D 106 34.686 24.765 28.524 1.00 40.70 N +ATOM 749 CZ ARG D 106 34.049 23.646 28.873 1.00 44.20 C +ATOM 750 NH1 ARG D 106 33.613 23.465 30.122 1.00 41.80 N +ATOM 751 NH2 ARG D 106 33.794 22.720 27.947 1.00 44.51 N +ATOM 752 N LEU D 107 34.532 30.904 27.635 1.00 37.43 N +ATOM 753 CA LEU D 107 35.246 32.087 27.203 1.00 37.25 C +ATOM 754 C LEU D 107 34.858 33.333 28.044 1.00 37.16 C +ATOM 755 O LEU D 107 35.728 34.073 28.486 1.00 36.59 O +ATOM 756 CB LEU D 107 34.988 32.323 25.714 1.00 37.88 C +ATOM 757 CG LEU D 107 35.858 31.850 24.526 1.00 39.60 C +ATOM 758 CD1 LEU D 107 36.977 30.846 24.856 1.00 39.77 C +ATOM 759 CD2 LEU D 107 34.972 31.393 23.348 1.00 36.03 C +ATOM 760 N GLY D 108 33.564 33.563 28.249 1.00 36.98 N +ATOM 761 CA GLY D 108 33.081 34.572 29.197 1.00 38.15 C +ATOM 762 C GLY D 108 33.800 34.554 30.540 1.00 40.00 C +ATOM 763 O GLY D 108 34.178 35.611 31.052 1.00 41.13 O +ATOM 764 N LEU D 109 34.014 33.373 31.132 1.00 40.79 N +ATOM 765 CA LEU D 109 34.865 33.277 32.359 1.00 41.51 C +ATOM 766 C LEU D 109 36.293 33.722 32.075 1.00 42.28 C +ATOM 767 O LEU D 109 36.872 34.514 32.815 1.00 42.69 O +ATOM 768 CB LEU D 109 34.900 31.844 32.871 1.00 40.79 C +ATOM 769 CG LEU D 109 33.752 31.377 33.758 1.00 40.67 C +ATOM 770 CD1 LEU D 109 33.724 29.841 33.809 1.00 35.67 C +ATOM 771 CD2 LEU D 109 33.896 32.015 35.171 1.00 39.45 C +ATOM 772 N GLU D 110 36.839 33.115 31.023 1.00 43.46 N +ATOM 773 CA GLU D 110 38.018 33.500 30.242 1.00 45.49 C +ATOM 774 C GLU D 110 39.092 32.404 30.196 1.00 46.42 C +ATOM 775 O GLU D 110 39.373 31.697 31.164 1.00 48.12 O +ATOM 776 CB GLU D 110 38.516 34.949 30.474 1.00 45.28 C +ATOM 777 CG GLU D 110 37.593 35.998 29.784 1.00 45.53 C +ATOM 778 CD GLU D 110 37.636 37.391 30.417 1.00 47.55 C +ATOM 779 OE1 GLU D 110 36.576 37.899 30.882 1.00 49.95 O +ATOM 780 OE2 GLU D 110 38.741 37.985 30.456 1.00 49.93 O Added: SwiftApps/modFTdock/input/indata/3brt-5.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3brt-5.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3brt-5.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,818 @@ +ATOM 1 N GLU B 49 -29.122 -8.130 -13.110 1.00 58.57 N +ATOM 2 CA GLU B 49 -28.972 -7.259 -14.310 1.00 58.79 C +ATOM 3 C GLU B 49 -27.622 -6.505 -14.339 1.00 58.01 C +ATOM 4 O GLU B 49 -27.141 -6.029 -13.315 1.00 57.14 O +ATOM 5 CB GLU B 49 -30.190 -6.332 -14.485 1.00 59.08 C +ATOM 6 CG GLU B 49 -29.899 -5.012 -15.220 1.00 61.30 C +ATOM 7 CD GLU B 49 -31.002 -4.613 -16.199 1.00 63.63 C +ATOM 8 OE1 GLU B 49 -31.235 -5.344 -17.191 1.00 61.42 O +ATOM 9 OE2 GLU B 49 -31.610 -3.540 -15.991 1.00 66.47 O +ATOM 10 N THR B 50 -27.031 -6.433 -15.536 1.00 57.60 N +ATOM 11 CA THR B 50 -25.689 -5.892 -15.757 1.00 57.58 C +ATOM 12 C THR B 50 -25.653 -4.366 -15.586 1.00 58.29 C +ATOM 13 O THR B 50 -24.622 -3.818 -15.247 1.00 58.71 O +ATOM 14 CB THR B 50 -25.144 -6.300 -17.184 1.00 57.99 C +ATOM 15 OG1 THR B 50 -25.325 -7.705 -17.386 1.00 53.90 O +ATOM 16 CG2 THR B 50 -23.630 -5.915 -17.386 1.00 56.21 C +ATOM 17 N LEU B 51 -26.778 -3.691 -15.830 1.00 59.12 N +ATOM 18 CA LEU B 51 -26.870 -2.241 -15.645 1.00 59.48 C +ATOM 19 C LEU B 51 -26.794 -1.861 -14.150 1.00 60.12 C +ATOM 20 O LEU B 51 -25.884 -1.135 -13.746 1.00 58.32 O +ATOM 21 CB LEU B 51 -28.153 -1.676 -16.287 1.00 59.60 C +ATOM 22 CG LEU B 51 -28.121 -0.369 -17.102 1.00 59.20 C +ATOM 23 CD1 LEU B 51 -29.497 0.283 -17.143 1.00 59.90 C +ATOM 24 CD2 LEU B 51 -27.122 0.595 -16.567 1.00 58.16 C +ATOM 25 N GLN B 52 -27.727 -2.379 -13.337 1.00 61.09 N +ATOM 26 CA GLN B 52 -27.767 -2.043 -11.895 1.00 62.01 C +ATOM 27 C GLN B 52 -26.415 -2.307 -11.258 1.00 61.97 C +ATOM 28 O GLN B 52 -25.959 -1.531 -10.426 1.00 61.49 O +ATOM 29 CB GLN B 52 -28.871 -2.818 -11.162 1.00 62.11 C +ATOM 30 CG GLN B 52 -30.244 -2.647 -11.818 1.00 64.57 C +ATOM 31 CD GLN B 52 -31.225 -3.768 -11.507 1.00 66.86 C +ATOM 32 OE1 GLN B 52 -31.340 -4.207 -10.362 1.00 67.78 O +ATOM 33 NE2 GLN B 52 -31.956 -4.227 -12.532 1.00 67.30 N +ATOM 34 N ARG B 53 -25.788 -3.407 -11.685 1.00 62.61 N +ATOM 35 CA ARG B 53 -24.498 -3.872 -11.170 1.00 63.22 C +ATOM 36 C ARG B 53 -23.392 -2.850 -11.405 1.00 62.81 C +ATOM 37 O ARG B 53 -22.575 -2.586 -10.529 1.00 61.67 O +ATOM 38 CB ARG B 53 -24.127 -5.206 -11.842 1.00 63.18 C +ATOM 39 CG ARG B 53 -23.070 -6.060 -11.110 1.00 63.64 C +ATOM 40 CD ARG B 53 -22.797 -7.371 -11.887 1.00 64.99 C +ATOM 41 NE ARG B 53 -21.425 -7.431 -12.423 1.00 68.53 N +ATOM 42 CZ ARG B 53 -21.068 -7.369 -13.714 1.00 68.13 C +ATOM 43 NH1 ARG B 53 -21.959 -7.239 -14.696 1.00 65.90 N +ATOM 44 NH2 ARG B 53 -19.780 -7.440 -14.023 1.00 68.01 N +ATOM 45 N CYS B 54 -23.394 -2.302 -12.613 1.00 63.22 N +ATOM 46 CA CYS B 54 -22.391 -1.369 -13.104 1.00 63.58 C +ATOM 47 C CYS B 54 -22.515 -0.006 -12.522 1.00 62.00 C +ATOM 48 O CYS B 54 -21.513 0.632 -12.213 1.00 61.60 O +ATOM 49 CB CYS B 54 -22.594 -1.191 -14.583 1.00 63.77 C +ATOM 50 SG CYS B 54 -21.273 -1.837 -15.417 1.00 72.50 S +ATOM 51 N LEU B 55 -23.758 0.455 -12.461 1.00 60.54 N +ATOM 52 CA LEU B 55 -24.097 1.710 -11.847 1.00 59.74 C +ATOM 53 C LEU B 55 -23.725 1.685 -10.366 1.00 58.91 C +ATOM 54 O LEU B 55 -23.172 2.647 -9.849 1.00 59.75 O +ATOM 55 CB LEU B 55 -25.579 2.005 -12.029 1.00 59.43 C +ATOM 56 CG LEU B 55 -25.987 2.427 -13.435 1.00 59.01 C +ATOM 57 CD1 LEU B 55 -27.474 2.328 -13.547 1.00 61.78 C +ATOM 58 CD2 LEU B 55 -25.546 3.843 -13.682 1.00 59.46 C +ATOM 59 N GLU B 56 -23.983 0.577 -9.691 1.00 57.34 N +ATOM 60 CA GLU B 56 -23.623 0.500 -8.276 1.00 56.25 C +ATOM 61 C GLU B 56 -22.090 0.545 -8.088 1.00 55.09 C +ATOM 62 O GLU B 56 -21.615 1.187 -7.166 1.00 54.87 O +ATOM 63 CB GLU B 56 -24.275 -0.692 -7.554 1.00 55.07 C +ATOM 64 N GLU B 57 -21.329 -0.091 -8.984 1.00 53.52 N +ATOM 65 CA GLU B 57 -19.883 -0.052 -8.869 1.00 52.58 C +ATOM 66 C GLU B 57 -19.308 1.310 -9.331 1.00 50.90 C +ATOM 67 O GLU B 57 -18.181 1.669 -9.005 1.00 50.79 O +ATOM 68 CB GLU B 57 -19.251 -1.194 -9.663 1.00 52.22 C +ATOM 69 CG GLU B 57 -17.805 -1.432 -9.250 1.00 54.92 C +ATOM 70 CD GLU B 57 -16.925 -1.977 -10.359 1.00 59.04 C +ATOM 71 OE1 GLU B 57 -17.497 -2.468 -11.372 1.00 61.71 O +ATOM 72 OE2 GLU B 57 -15.664 -1.933 -10.201 1.00 57.84 O +ATOM 73 N ASN B 58 -20.088 2.033 -10.126 1.00 49.94 N +ATOM 74 CA ASN B 58 -19.723 3.340 -10.611 1.00 49.69 C +ATOM 75 C ASN B 58 -19.796 4.334 -9.467 1.00 48.02 C +ATOM 76 O ASN B 58 -18.897 5.099 -9.289 1.00 49.44 O +ATOM 77 CB ASN B 58 -20.675 3.784 -11.693 1.00 49.49 C +ATOM 78 CG ASN B 58 -20.174 4.986 -12.407 1.00 52.99 C +ATOM 79 OD1 ASN B 58 -19.209 4.903 -13.167 1.00 58.17 O +ATOM 80 ND2 ASN B 58 -20.805 6.132 -12.169 1.00 55.35 N +ATOM 81 N GLN B 59 -20.877 4.293 -8.693 1.00 47.21 N +ATOM 82 CA GLN B 59 -21.043 5.112 -7.497 1.00 45.63 C +ATOM 83 C GLN B 59 -19.976 4.807 -6.484 1.00 44.51 C +ATOM 84 O GLN B 59 -19.348 5.731 -5.994 1.00 45.62 O +ATOM 85 CB GLN B 59 -22.434 4.899 -6.883 1.00 46.37 C +ATOM 86 CG GLN B 59 -22.837 5.926 -5.839 1.00 47.98 C +ATOM 87 CD GLN B 59 -22.860 7.356 -6.377 1.00 49.96 C +ATOM 88 OE1 GLN B 59 -21.946 8.155 -6.104 1.00 54.16 O +ATOM 89 NE2 GLN B 59 -23.901 7.688 -7.134 1.00 49.45 N +ATOM 90 N GLU B 60 -19.722 3.532 -6.182 1.00 42.66 N +ATOM 91 CA GLU B 60 -18.657 3.196 -5.202 1.00 41.32 C +ATOM 92 C GLU B 60 -17.259 3.617 -5.621 1.00 40.00 C +ATOM 93 O GLU B 60 -16.481 4.002 -4.801 1.00 40.04 O +ATOM 94 CB GLU B 60 -18.635 1.708 -4.847 1.00 41.84 C +ATOM 95 N LEU B 61 -16.927 3.524 -6.901 1.00 39.35 N +ATOM 96 CA LEU B 61 -15.627 3.975 -7.348 1.00 37.75 C +ATOM 97 C LEU B 61 -15.622 5.516 -7.312 1.00 38.13 C +ATOM 98 O LEU B 61 -14.588 6.082 -7.055 1.00 35.53 O +ATOM 99 CB LEU B 61 -15.253 3.481 -8.750 1.00 37.65 C +ATOM 100 CG LEU B 61 -14.881 2.008 -9.028 1.00 37.31 C +ATOM 101 CD1 LEU B 61 -15.215 1.595 -10.456 1.00 33.57 C +ATOM 102 CD2 LEU B 61 -13.407 1.726 -8.701 1.00 35.36 C +ATOM 103 N ARG B 62 -16.765 6.166 -7.577 1.00 38.55 N +ATOM 104 CA ARG B 62 -16.829 7.647 -7.494 1.00 38.84 C +ATOM 105 C ARG B 62 -16.754 8.159 -6.061 1.00 39.01 C +ATOM 106 O ARG B 62 -16.309 9.265 -5.856 1.00 39.20 O +ATOM 107 CB ARG B 62 -18.048 8.239 -8.198 1.00 38.99 C +ATOM 108 CG ARG B 62 -18.125 7.885 -9.674 1.00 41.44 C +ATOM 109 CD ARG B 62 -19.448 8.300 -10.266 1.00 45.20 C +ATOM 110 NE ARG B 62 -19.331 9.618 -10.872 1.00 48.90 N +ATOM 111 CZ ARG B 62 -19.730 9.950 -12.097 1.00 52.70 C +ATOM 112 NH1 ARG B 62 -20.347 9.078 -12.906 1.00 49.14 N +ATOM 113 NH2 ARG B 62 -19.528 11.199 -12.505 1.00 54.47 N +ATOM 114 N ASP B 63 -17.159 7.336 -5.090 1.00 39.65 N +ATOM 115 CA ASP B 63 -17.064 7.668 -3.660 1.00 39.58 C +ATOM 116 C ASP B 63 -15.649 7.434 -3.159 1.00 38.66 C +ATOM 117 O ASP B 63 -15.178 8.136 -2.298 1.00 38.68 O +ATOM 118 CB ASP B 63 -18.003 6.792 -2.808 1.00 40.22 C +ATOM 119 CG ASP B 63 -19.495 6.967 -3.149 1.00 43.46 C +ATOM 120 OD1 ASP B 63 -19.849 8.049 -3.688 1.00 46.59 O +ATOM 121 OD2 ASP B 63 -20.314 6.015 -2.868 1.00 44.98 O +ATOM 122 N ALA B 64 -14.972 6.425 -3.683 1.00 38.16 N +ATOM 123 CA ALA B 64 -13.609 6.170 -3.285 1.00 38.07 C +ATOM 124 C ALA B 64 -12.728 7.322 -3.744 1.00 39.00 C +ATOM 125 O ALA B 64 -11.904 7.816 -2.983 1.00 39.47 O +ATOM 126 CB ALA B 64 -13.110 4.839 -3.894 1.00 38.17 C +ATOM 127 N ILE B 65 -12.922 7.763 -4.988 1.00 38.99 N +ATOM 128 CA ILE B 65 -12.178 8.877 -5.544 1.00 40.32 C +ATOM 129 C ILE B 65 -12.447 10.284 -4.932 1.00 38.74 C +ATOM 130 O ILE B 65 -11.513 11.012 -4.689 1.00 39.64 O +ATOM 131 CB ILE B 65 -12.395 8.935 -7.063 1.00 41.09 C +ATOM 132 CG1 ILE B 65 -11.483 7.929 -7.730 1.00 44.05 C +ATOM 133 CG2 ILE B 65 -11.969 10.322 -7.589 1.00 40.88 C +ATOM 134 CD1 ILE B 65 -10.005 8.434 -7.688 1.00 46.45 C +ATOM 135 N ARG B 66 -13.691 10.686 -4.708 1.00 39.21 N +ATOM 136 CA ARG B 66 -13.955 11.973 -4.020 1.00 41.01 C +ATOM 137 C ARG B 66 -13.300 12.033 -2.637 1.00 40.17 C +ATOM 138 O ARG B 66 -12.782 13.079 -2.223 1.00 42.59 O +ATOM 139 CB ARG B 66 -15.454 12.310 -3.893 1.00 40.29 C +ATOM 140 CG ARG B 66 -16.256 11.927 -5.123 1.00 41.66 C +ATOM 141 CD ARG B 66 -17.739 12.383 -5.123 1.00 43.35 C +ATOM 142 NE ARG B 66 -18.629 11.419 -5.834 1.00 47.49 N +ATOM 143 CZ ARG B 66 -19.367 11.707 -6.920 1.00 50.36 C +ATOM 144 NH1 ARG B 66 -19.343 12.935 -7.452 1.00 51.94 N +ATOM 145 NH2 ARG B 66 -20.172 10.776 -7.463 1.00 51.24 N +ATOM 146 N GLN B 67 -13.306 10.916 -1.937 1.00 40.36 N +ATOM 147 CA GLN B 67 -12.866 10.879 -0.536 1.00 39.77 C +ATOM 148 C GLN B 67 -11.373 10.943 -0.510 1.00 39.37 C +ATOM 149 O GLN B 67 -10.812 11.791 0.117 1.00 40.39 O +ATOM 150 CB GLN B 67 -13.364 9.591 0.148 1.00 39.87 C +ATOM 151 N SER B 68 -10.720 10.068 -1.258 1.00 38.88 N +ATOM 152 CA SER B 68 -9.278 10.125 -1.414 1.00 37.67 C +ATOM 153 C SER B 68 -8.766 11.518 -1.911 1.00 37.13 C +ATOM 154 O SER B 68 -7.726 12.022 -1.466 1.00 37.27 O +ATOM 155 CB SER B 68 -8.931 9.071 -2.417 1.00 37.80 C +ATOM 156 OG SER B 68 -7.559 9.106 -2.635 1.00 44.49 O +ATOM 157 N ASN B 69 -9.497 12.136 -2.831 1.00 34.44 N +ATOM 158 CA ASN B 69 -9.172 13.473 -3.257 1.00 34.09 C +ATOM 159 C ASN B 69 -9.268 14.478 -2.108 1.00 34.36 C +ATOM 160 O ASN B 69 -8.402 15.303 -1.961 1.00 32.33 O +ATOM 161 CB ASN B 69 -10.080 13.927 -4.388 1.00 34.17 C +ATOM 162 CG ASN B 69 -9.705 13.303 -5.736 1.00 35.26 C +ATOM 163 OD1 ASN B 69 -8.718 12.584 -5.850 1.00 37.69 O +ATOM 164 ND2 ASN B 69 -10.514 13.579 -6.754 1.00 30.06 N +ATOM 165 N GLN B 70 -10.323 14.402 -1.303 1.00 35.32 N +ATOM 166 CA GLN B 70 -10.401 15.265 -0.144 1.00 36.65 C +ATOM 167 C GLN B 70 -9.158 15.119 0.744 1.00 36.34 C +ATOM 168 O GLN B 70 -8.545 16.121 1.123 1.00 36.48 O +ATOM 169 CB GLN B 70 -11.672 15.032 0.647 1.00 36.92 C +ATOM 170 CG GLN B 70 -11.765 16.008 1.831 1.00 43.76 C +ATOM 171 CD GLN B 70 -12.978 15.721 2.695 1.00 52.83 C +ATOM 172 OE1 GLN B 70 -14.036 15.228 2.200 1.00 55.76 O +ATOM 173 NE2 GLN B 70 -12.854 16.018 3.997 1.00 55.40 N +ATOM 174 N ILE B 71A -8.746 13.878 1.020 1.00 36.81 N +ATOM 175 CA ILE B 71A -7.597 13.628 1.888 1.00 35.97 C +ATOM 176 C ILE B 71A -6.334 14.174 1.287 1.00 36.85 C +ATOM 177 O ILE B 71A -5.575 14.801 1.979 1.00 39.24 O +ATOM 178 CB ILE B 71A -7.399 12.114 2.180 1.00 35.45 C +ATOM 179 CG1 ILE B 71A -8.380 11.612 3.247 1.00 33.91 C +ATOM 180 CG2 ILE B 71A -6.010 11.844 2.677 1.00 33.65 C +ATOM 181 CD1 ILE B 71A -8.968 10.102 2.925 1.00 35.17 C +ATOM 182 N LEU B 72 -6.073 13.897 0.013 1.00 38.04 N +ATOM 183 CA LEU B 72 -4.914 14.448 -0.700 1.00 37.59 C +ATOM 184 C LEU B 72 -4.944 15.957 -0.709 1.00 38.01 C +ATOM 185 O LEU B 72 -3.901 16.571 -0.584 1.00 38.19 O +ATOM 186 CB LEU B 72 -4.841 13.943 -2.157 1.00 36.39 C +ATOM 187 CG LEU B 72 -4.532 12.447 -2.277 1.00 38.64 C +ATOM 188 CD1 LEU B 72 -4.520 11.913 -3.704 1.00 34.29 C +ATOM 189 CD2 LEU B 72 -3.240 12.152 -1.595 1.00 34.41 C +ATOM 190 N ARG B 73 -6.103 16.587 -0.851 1.00 37.54 N +ATOM 191 CA ARG B 73 -5.973 18.012 -0.765 1.00 38.67 C +ATOM 192 C ARG B 73 -5.660 18.539 0.669 1.00 37.38 C +ATOM 193 O ARG B 73 -4.766 19.377 0.808 1.00 37.41 O +ATOM 194 CB ARG B 73 -6.853 18.811 -1.763 1.00 39.66 C +ATOM 195 CG ARG B 73 -8.036 19.650 -1.372 1.00 42.60 C +ATOM 196 CD ARG B 73 -9.192 19.238 -2.360 1.00 45.48 C +ATOM 197 NE ARG B 73 -8.995 19.725 -3.727 1.00 46.42 N +ATOM 198 CZ ARG B 73 -9.646 19.272 -4.808 1.00 47.19 C +ATOM 199 NH1 ARG B 73 -10.541 18.286 -4.718 1.00 47.69 N +ATOM 200 NH2 ARG B 73 -9.372 19.783 -6.001 1.00 44.41 N +ATOM 201 N GLU B 74 -6.215 17.891 1.707 1.00 35.54 N +ATOM 202 CA GLU B 74 -5.843 18.209 3.097 1.00 34.95 C +ATOM 203 C GLU B 74 -4.355 17.900 3.385 1.00 34.07 C +ATOM 204 O GLU B 74 -3.645 18.728 3.930 1.00 32.09 O +ATOM 205 CB GLU B 74 -6.796 17.541 4.124 1.00 34.72 C +ATOM 206 N ARG B 75 -3.880 16.724 2.960 1.00 32.89 N +ATOM 207 CA ARG B 75 -2.491 16.327 3.204 1.00 32.16 C +ATOM 208 C ARG B 75 -1.460 17.202 2.498 1.00 32.09 C +ATOM 209 O ARG B 75 -0.414 17.470 3.065 1.00 30.55 O +ATOM 210 CB ARG B 75 -2.256 14.889 2.734 1.00 32.87 C +ATOM 211 CG ARG B 75 -2.067 13.851 3.792 1.00 35.04 C +ATOM 212 CD ARG B 75 -3.253 13.626 4.645 1.00 35.44 C +ATOM 213 NE ARG B 75 -3.129 14.391 5.860 1.00 39.19 N +ATOM 214 CZ ARG B 75 -4.148 14.677 6.643 1.00 41.81 C +ATOM 215 NH1 ARG B 75 -5.362 14.260 6.326 1.00 44.44 N +ATOM 216 NH2 ARG B 75 -3.940 15.388 7.732 1.00 46.76 N +ATOM 217 N CYS B 76 -1.734 17.597 1.246 1.00 31.35 N +ATOM 218 CA CYS B 76 -0.840 18.506 0.539 1.00 32.32 C +ATOM 219 C CYS B 76 -0.756 19.843 1.203 1.00 31.67 C +ATOM 220 O CYS B 76 0.299 20.439 1.187 1.00 31.74 O +ATOM 221 CB CYS B 76 -1.310 18.790 -0.853 1.00 31.78 C +ATOM 222 SG CYS B 76 -1.120 17.511 -1.938 1.00 39.49 S +ATOM 223 N GLU B 77 -1.881 20.350 1.715 1.00 32.73 N +ATOM 224 CA GLU B 77 -1.933 21.659 2.337 1.00 33.81 C +ATOM 225 C GLU B 77 -1.133 21.613 3.633 1.00 34.61 C +ATOM 226 O GLU B 77 -0.296 22.470 3.908 1.00 34.55 O +ATOM 227 CB GLU B 77 -3.369 22.080 2.567 1.00 33.43 C +ATOM 228 CG GLU B 77 -3.528 23.437 3.193 1.00 37.35 C +ATOM 229 CD GLU B 77 -4.901 23.616 3.802 1.00 42.53 C +ATOM 230 OE1 GLU B 77 -5.635 22.604 3.886 1.00 48.01 O +ATOM 231 OE2 GLU B 77 -5.262 24.752 4.191 1.00 46.39 O +ATOM 232 N GLU B 78 -1.356 20.573 4.400 1.00 36.26 N +ATOM 233 CA GLU B 78 -0.553 20.315 5.607 1.00 38.41 C +ATOM 234 C GLU B 78 0.923 20.281 5.262 1.00 37.35 C +ATOM 235 O GLU B 78 1.759 20.843 5.958 1.00 37.89 O +ATOM 236 CB GLU B 78 -1.005 18.983 6.226 1.00 37.84 C +ATOM 237 CG GLU B 78 -0.406 18.653 7.577 1.00 41.12 C +ATOM 238 CD GLU B 78 -1.199 17.570 8.337 1.00 41.88 C +ATOM 239 OE1 GLU B 78 -1.897 16.719 7.671 1.00 45.25 O +ATOM 240 OE2 GLU B 78 -1.137 17.585 9.616 1.00 46.27 O +ATOM 241 N LEU B 79 1.259 19.636 4.154 1.00 37.34 N +ATOM 242 CA LEU B 79 2.668 19.393 3.863 1.00 37.16 C +ATOM 243 C LEU B 79 3.332 20.679 3.372 1.00 36.06 C +ATOM 244 O LEU B 79 4.507 20.905 3.618 1.00 36.16 O +ATOM 245 CB LEU B 79 2.799 18.299 2.855 1.00 36.49 C +ATOM 246 CG LEU B 79 3.919 17.304 2.623 1.00 38.12 C +ATOM 247 CD1 LEU B 79 4.413 16.532 3.858 1.00 38.52 C +ATOM 248 CD2 LEU B 79 3.252 16.316 1.671 1.00 35.83 C +ATOM 249 N LEU B 80 2.556 21.523 2.725 1.00 35.85 N +ATOM 250 CA LEU B 80 3.047 22.817 2.238 1.00 36.63 C +ATOM 251 C LEU B 80 3.340 23.737 3.440 1.00 36.22 C +ATOM 252 O LEU B 80 4.315 24.472 3.462 1.00 37.14 O +ATOM 253 CB LEU B 80 2.022 23.403 1.260 1.00 35.90 C +ATOM 254 CG LEU B 80 1.918 24.803 0.625 1.00 37.94 C +ATOM 255 CD1 LEU B 80 0.610 24.942 -0.127 1.00 37.90 C +ATOM 256 CD2 LEU B 80 2.030 25.979 1.602 1.00 43.86 C +ATOM 257 N HIS B 81 2.471 23.705 4.436 1.00 36.59 N +ATOM 258 CA HIS B 81 2.694 24.464 5.659 1.00 36.13 C +ATOM 259 C HIS B 81 3.913 23.997 6.468 1.00 33.83 C +ATOM 260 O HIS B 81 4.641 24.816 7.040 1.00 34.34 O +ATOM 261 CB HIS B 81 1.434 24.464 6.523 1.00 37.80 C +ATOM 262 CG HIS B 81 0.323 25.323 5.994 1.00 39.02 C +ATOM 263 ND1 HIS B 81 -0.655 24.846 5.149 1.00 41.71 N +ATOM 264 CD2 HIS B 81 0.014 26.618 6.226 1.00 40.21 C +ATOM 265 CE1 HIS B 81 -1.514 25.810 4.875 1.00 39.55 C +ATOM 266 NE2 HIS B 81 -1.135 26.893 5.521 1.00 40.26 N +ATOM 267 N PHE B 82 4.157 22.694 6.481 1.00 32.30 N +ATOM 268 CA PHE B 82 5.304 22.086 7.204 1.00 29.84 C +ATOM 269 C PHE B 82 6.543 22.500 6.498 1.00 29.93 C +ATOM 270 O PHE B 82 7.578 22.766 7.108 1.00 31.03 O +ATOM 271 CB PHE B 82 5.202 20.566 7.203 1.00 28.90 C +ATOM 272 CG PHE B 82 6.414 19.862 7.750 1.00 27.45 C +ATOM 273 CD1 PHE B 82 6.623 19.754 9.127 1.00 24.69 C +ATOM 274 CD2 PHE B 82 7.346 19.319 6.889 1.00 26.44 C +ATOM 275 CE1 PHE B 82 7.731 19.124 9.648 1.00 27.15 C +ATOM 276 CE2 PHE B 82 8.449 18.674 7.390 1.00 29.49 C +ATOM 277 CZ PHE B 82 8.653 18.569 8.788 1.00 28.63 C +ATOM 278 N GLN B 83 6.477 22.572 5.192 1.00 30.47 N +ATOM 279 CA GLN B 83 7.660 22.969 4.443 1.00 30.81 C +ATOM 280 C GLN B 83 8.041 24.382 4.772 1.00 30.51 C +ATOM 281 O GLN B 83 9.225 24.710 4.833 1.00 31.14 O +ATOM 282 CB GLN B 83 7.393 22.944 2.956 1.00 31.62 C +ATOM 283 CG GLN B 83 7.704 21.668 2.321 1.00 34.96 C +ATOM 284 CD GLN B 83 7.293 21.658 0.833 1.00 40.52 C +ATOM 285 OE1 GLN B 83 6.348 20.970 0.446 1.00 42.24 O +ATOM 286 NE2 GLN B 83 8.000 22.432 0.016 1.00 39.73 N +ATOM 287 N ALA B 84 7.055 25.240 4.936 1.00 30.99 N +ATOM 288 CA ALA B 84 7.335 26.632 5.241 1.00 32.00 C +ATOM 289 C ALA B 84 7.921 26.754 6.678 1.00 32.92 C +ATOM 290 O ALA B 84 8.862 27.532 6.869 1.00 34.04 O +ATOM 291 CB ALA B 84 6.089 27.514 5.041 1.00 31.69 C +ATOM 292 N SER B 85 7.423 25.956 7.634 1.00 32.49 N +ATOM 293 CA SER B 85 7.969 25.926 9.018 1.00 32.72 C +ATOM 294 C SER B 85 9.348 25.393 9.061 1.00 33.06 C +ATOM 295 O SER B 85 10.193 25.972 9.733 1.00 32.95 O +ATOM 296 CB SER B 85 7.154 25.076 9.904 1.00 32.22 C +ATOM 297 OG SER B 85 5.868 25.593 9.816 1.00 35.11 O +ATOM 298 N GLN B 86 9.609 24.344 8.268 1.00 33.38 N +ATOM 299 CA GLN B 86 10.960 23.813 8.194 1.00 33.31 C +ATOM 300 C GLN B 86 11.948 24.875 7.706 1.00 30.43 C +ATOM 301 O GLN B 86 13.009 25.057 8.273 1.00 28.85 O +ATOM 302 CB GLN B 86 11.021 22.543 7.342 1.00 33.40 C +ATOM 303 CG GLN B 86 10.367 21.347 8.102 1.00 39.07 C +ATOM 304 CD GLN B 86 11.134 20.915 9.388 1.00 44.37 C +ATOM 305 OE1 GLN B 86 12.094 20.129 9.310 1.00 46.80 O +ATOM 306 NE2 GLN B 86 10.699 21.417 10.573 1.00 47.55 N +ATOM 307 N ARG B 87 11.587 25.553 6.649 1.00 29.91 N +ATOM 308 CA ARG B 87 12.445 26.632 6.071 1.00 29.57 C +ATOM 309 C ARG B 87 12.732 27.748 7.075 1.00 28.97 C +ATOM 310 O ARG B 87 13.825 28.250 7.134 1.00 30.38 O +ATOM 311 CB ARG B 87 11.763 27.229 4.838 1.00 28.62 C +ATOM 312 CG ARG B 87 12.475 28.483 4.314 1.00 31.76 C +ATOM 313 CD ARG B 87 12.022 28.919 2.893 1.00 30.68 C +ATOM 314 NE ARG B 87 13.217 29.305 2.122 1.00 34.97 N +ATOM 315 CZ ARG B 87 13.282 29.470 0.786 1.00 37.62 C +ATOM 316 NH1 ARG B 87 12.208 29.278 0.006 1.00 34.77 N +ATOM 317 NH2 ARG B 87 14.441 29.836 0.220 1.00 37.40 N +ATOM 318 N GLU B 88 11.767 28.101 7.899 1.00 29.18 N +ATOM 319 CA GLU B 88 11.900 29.161 8.931 1.00 31.46 C +ATOM 320 C GLU B 88 12.777 28.737 10.138 1.00 31.10 C +ATOM 321 O GLU B 88 13.620 29.546 10.629 1.00 30.25 O +ATOM 322 CB GLU B 88 10.492 29.557 9.381 1.00 29.89 C +ATOM 323 CG GLU B 88 9.666 30.268 8.252 1.00 35.38 C +ATOM 324 CD GLU B 88 8.132 30.404 8.571 1.00 37.19 C +ATOM 325 OE1 GLU B 88 7.758 30.530 9.768 1.00 42.26 O +ATOM 326 OE2 GLU B 88 7.283 30.366 7.630 1.00 44.77 O +ATOM 327 N GLU B 89 12.607 27.474 10.581 1.00 29.99 N +ATOM 328 CA GLU B 89 13.408 26.884 11.652 1.00 30.82 C +ATOM 329 C GLU B 89 14.837 26.890 11.199 1.00 30.02 C +ATOM 330 O GLU B 89 15.708 27.317 11.904 1.00 29.43 O +ATOM 331 CB GLU B 89 12.997 25.435 11.904 1.00 31.39 C +ATOM 332 CG GLU B 89 13.824 24.710 12.972 1.00 36.45 C +ATOM 333 CD GLU B 89 13.217 24.836 14.378 1.00 45.83 C +ATOM 334 OE1 GLU B 89 13.441 23.937 15.264 1.00 48.35 O +ATOM 335 OE2 GLU B 89 12.505 25.845 14.601 1.00 47.81 O +ATOM 336 N LYS B 90 15.071 26.441 9.977 1.00 30.08 N +ATOM 337 CA LYS B 90 16.414 26.407 9.434 1.00 30.15 C +ATOM 338 C LYS B 90 17.039 27.820 9.328 1.00 29.31 C +ATOM 339 O LYS B 90 18.159 28.046 9.693 1.00 31.92 O +ATOM 340 CB LYS B 90 16.345 25.842 8.034 1.00 29.56 C +ATOM 341 CG LYS B 90 17.745 25.653 7.516 1.00 35.15 C +ATOM 342 CD LYS B 90 17.763 24.951 6.186 1.00 34.49 C +ATOM 343 CE LYS B 90 19.172 24.408 5.989 1.00 37.71 C +ATOM 344 NZ LYS B 90 19.261 23.829 4.586 1.00 39.55 N +ATOM 345 N GLU B 91 16.336 28.770 8.781 1.00 28.14 N +ATOM 346 CA GLU B 91 16.834 30.175 8.781 1.00 28.03 C +ATOM 347 C GLU B 91 17.120 30.623 10.202 1.00 27.48 C +ATOM 348 O GLU B 91 18.147 31.252 10.444 1.00 26.84 O +ATOM 349 CB GLU B 91 15.773 31.086 8.187 1.00 26.18 C +ATOM 350 CG GLU B 91 15.391 30.658 6.800 1.00 27.88 C +ATOM 351 CD GLU B 91 14.260 31.453 6.149 1.00 33.10 C +ATOM 352 OE1 GLU B 91 13.558 32.271 6.776 1.00 34.20 O +ATOM 353 OE2 GLU B 91 14.034 31.235 4.954 1.00 39.23 O +ATOM 354 N PHE B 92 16.223 30.278 11.141 1.00 27.93 N +ATOM 355 CA PHE B 92 16.477 30.584 12.552 1.00 29.26 C +ATOM 356 C PHE B 92 17.737 29.988 13.071 1.00 30.20 C +ATOM 357 O PHE B 92 18.582 30.700 13.604 1.00 32.18 O +ATOM 358 CB PHE B 92 15.301 30.237 13.414 1.00 29.09 C +ATOM 359 CG PHE B 92 15.524 30.479 14.874 1.00 34.42 C +ATOM 360 CD1 PHE B 92 15.093 31.678 15.472 1.00 29.65 C +ATOM 361 CD2 PHE B 92 16.070 29.439 15.701 1.00 35.96 C +ATOM 362 CE1 PHE B 92 15.233 31.868 16.872 1.00 33.79 C +ATOM 363 CE2 PHE B 92 16.238 29.634 17.077 1.00 37.07 C +ATOM 364 CZ PHE B 92 15.820 30.866 17.680 1.00 31.59 C +ATOM 365 N LEU B 93 17.941 28.686 12.856 1.00 32.24 N +ATOM 366 CA LEU B 93 19.110 28.013 13.402 1.00 32.07 C +ATOM 367 C LEU B 93 20.424 28.409 12.682 1.00 34.53 C +ATOM 368 O LEU B 93 21.497 28.568 13.319 1.00 35.70 O +ATOM 369 CB LEU B 93 18.846 26.513 13.322 1.00 31.80 C +ATOM 370 CG LEU B 93 17.849 26.036 14.397 1.00 32.20 C +ATOM 371 CD1 LEU B 93 17.622 24.533 14.322 1.00 28.96 C +ATOM 372 CD2 LEU B 93 18.365 26.401 15.869 1.00 29.54 C +ATOM 373 N MET B 94 20.392 28.544 11.356 1.00 33.82 N +ATOM 374 CA MET B 94 21.561 29.135 10.677 1.00 36.07 C +ATOM 375 C MET B 94 21.935 30.539 11.200 1.00 34.38 C +ATOM 376 O MET B 94 23.110 30.883 11.320 1.00 34.10 O +ATOM 377 CB MET B 94 21.322 29.161 9.184 1.00 33.59 C +ATOM 378 CG MET B 94 21.553 27.792 8.527 1.00 36.32 C +ATOM 379 SD MET B 94 21.252 27.942 6.774 1.00 47.42 S +ATOM 380 CE MET B 94 19.499 28.362 6.646 1.00 48.65 C +ATOM 381 N CYS B 95 20.956 31.354 11.537 1.00 34.64 N +ATOM 382 CA CYS B 95 21.244 32.648 12.168 1.00 35.08 C +ATOM 383 C CYS B 95 21.934 32.489 13.561 1.00 35.70 C +ATOM 384 O CYS B 95 23.071 32.936 13.739 1.00 36.62 O +ATOM 385 CB CYS B 95 19.968 33.473 12.252 1.00 33.83 C +ATOM 386 SG CYS B 95 20.179 35.161 12.977 1.00 37.51 S +ATOM 387 N LYS B 96 21.296 31.785 14.495 1.00 35.62 N +ATOM 388 CA LYS B 96 21.871 31.528 15.826 1.00 35.57 C +ATOM 389 C LYS B 96 23.249 30.977 15.770 1.00 35.66 C +ATOM 390 O LYS B 96 24.166 31.389 16.533 1.00 36.92 O +ATOM 391 CB LYS B 96 21.030 30.475 16.548 1.00 34.50 C +ATOM 392 CG LYS B 96 19.644 30.971 16.792 1.00 36.02 C +ATOM 393 CD LYS B 96 19.705 32.260 17.550 1.00 38.71 C +ATOM 394 CE LYS B 96 18.705 33.231 17.040 1.00 42.21 C +ATOM 395 NZ LYS B 96 18.352 33.987 18.234 1.00 37.29 N +ATOM 396 N PHE B 97 23.416 29.998 14.906 1.00 34.47 N +ATOM 397 CA PHE B 97 24.682 29.344 14.837 1.00 34.36 C +ATOM 398 C PHE B 97 25.798 30.193 14.143 1.00 35.53 C +ATOM 399 O PHE B 97 27.007 30.082 14.551 1.00 34.50 O +ATOM 400 CB PHE B 97 24.483 27.937 14.325 1.00 35.86 C +ATOM 401 CG PHE B 97 23.939 26.930 15.424 1.00 35.95 C +ATOM 402 CD1 PHE B 97 22.799 26.175 15.198 1.00 31.31 C +ATOM 403 CD2 PHE B 97 24.586 26.782 16.647 1.00 35.41 C +ATOM 404 CE1 PHE B 97 22.336 25.239 16.145 1.00 32.95 C +ATOM 405 CE2 PHE B 97 24.132 25.868 17.613 1.00 35.97 C +ATOM 406 CZ PHE B 97 22.998 25.087 17.372 1.00 33.39 C +ATOM 407 N GLN B 98 25.397 31.121 13.252 1.00 33.24 N +ATOM 408 CA GLN B 98 26.313 32.208 12.799 1.00 35.19 C +ATOM 409 C GLN B 98 26.647 33.311 13.802 1.00 34.21 C +ATOM 410 O GLN B 98 27.747 33.802 13.836 1.00 35.04 O +ATOM 411 CB GLN B 98 25.876 32.820 11.431 1.00 35.03 C +ATOM 412 CG GLN B 98 25.564 31.725 10.407 1.00 36.60 C +ATOM 413 CD GLN B 98 26.252 31.950 9.136 1.00 44.14 C +ATOM 414 OE1 GLN B 98 27.502 32.017 9.155 1.00 47.50 O +ATOM 415 NE2 GLN B 98 25.476 32.033 7.960 1.00 37.24 N +ATOM 416 N GLU B 99 25.693 33.701 14.620 1.00 35.60 N +ATOM 417 CA GLU B 99 25.919 34.590 15.772 1.00 36.89 C +ATOM 418 C GLU B 99 26.832 33.884 16.814 1.00 35.96 C +ATOM 419 O GLU B 99 27.743 34.480 17.333 1.00 36.05 O +ATOM 420 CB GLU B 99 24.538 34.963 16.394 1.00 36.34 C +ATOM 421 CG GLU B 99 23.891 36.135 15.627 1.00 41.73 C +ATOM 422 CD GLU B 99 22.391 36.337 15.898 1.00 41.47 C +ATOM 423 OE1 GLU B 99 21.821 37.355 15.425 1.00 49.54 O +ATOM 424 OE2 GLU B 99 21.774 35.517 16.577 1.00 45.62 O +ATOM 425 N ALA B 100 26.579 32.618 17.101 1.00 34.19 N +ATOM 426 CA ALA B 100 27.449 31.893 18.013 1.00 34.48 C +ATOM 427 C ALA B 100 28.881 31.829 17.523 1.00 34.40 C +ATOM 428 O ALA B 100 29.830 32.067 18.299 1.00 34.84 O +ATOM 429 CB ALA B 100 26.895 30.497 18.288 1.00 33.07 C +ATOM 430 N ARG B 101 29.059 31.539 16.240 1.00 34.64 N +ATOM 431 CA AARG B 101 30.388 31.537 15.624 0.50 34.86 C +ATOM 432 CA BARG B 101 30.403 31.528 15.656 0.50 35.05 C +ATOM 433 C ARG B 101 31.096 32.881 15.783 1.00 35.18 C +ATOM 434 O ARG B 101 32.257 32.936 16.182 1.00 34.34 O +ATOM 435 CB AARG B 101 30.281 31.170 14.143 0.50 34.31 C +ATOM 436 CB BARG B 101 30.369 31.081 14.194 0.50 34.72 C +ATOM 437 CG AARG B 101 31.603 31.016 13.438 0.50 34.98 C +ATOM 438 CG BARG B 101 31.735 30.963 13.534 0.50 36.46 C +ATOM 439 CD AARG B 101 31.420 30.366 12.037 0.50 35.07 C +ATOM 440 CD BARG B 101 31.599 30.878 12.009 0.50 39.47 C +ATOM 441 NE AARG B 101 32.715 30.274 11.366 0.50 35.80 N +ATOM 442 NE BARG B 101 30.460 31.679 11.577 0.50 41.29 N +ATOM 443 CZ AARG B 101 33.018 29.412 10.390 0.50 35.83 C +ATOM 444 CZ BARG B 101 30.384 32.357 10.442 0.50 43.01 C +ATOM 445 NH1AARG B 101 32.119 28.540 9.937 0.50 36.02 N +ATOM 446 NH1BARG B 101 31.392 32.346 9.571 0.50 44.05 N +ATOM 447 NH2AARG B 101 34.230 29.429 9.859 0.50 33.37 N +ATOM 448 NH2BARG B 101 29.281 33.045 10.186 0.50 43.45 N +ATOM 449 N LYS B 102 30.385 33.976 15.452 1.00 36.29 N +ATOM 450 CA LYS B 102 31.000 35.318 15.537 1.00 37.01 C +ATOM 451 C LYS B 102 31.283 35.725 17.009 1.00 36.88 C +ATOM 452 O LYS B 102 32.208 36.481 17.278 1.00 36.81 O +ATOM 453 CB LYS B 102 30.208 36.376 14.722 1.00 37.34 C +ATOM 454 CG LYS B 102 29.970 35.946 13.237 1.00 39.79 C +ATOM 455 CD LYS B 102 29.009 36.812 12.363 1.00 39.65 C +ATOM 456 CE LYS B 102 29.786 37.824 11.454 1.00 42.63 C +ATOM 457 NZ LYS B 102 29.037 38.536 10.309 1.00 42.37 N +ATOM 458 N LEU B 103 30.526 35.180 17.961 1.00 36.66 N +ATOM 459 CA LEU B 103 30.710 35.527 19.350 1.00 36.37 C +ATOM 460 C LEU B 103 31.917 34.764 19.927 1.00 36.58 C +ATOM 461 O LEU B 103 32.717 35.325 20.638 1.00 36.03 O +ATOM 462 CB LEU B 103 29.421 35.309 20.139 1.00 36.02 C +ATOM 463 CG LEU B 103 29.538 35.421 21.665 1.00 36.10 C +ATOM 464 CD1 LEU B 103 29.892 36.840 22.158 1.00 33.14 C +ATOM 465 CD2 LEU B 103 28.243 34.982 22.248 1.00 37.18 C +ATOM 466 N VAL B 104 32.058 33.490 19.571 1.00 36.62 N +ATOM 467 CA VAL B 104 33.305 32.772 19.750 1.00 36.63 C +ATOM 468 C VAL B 104 34.537 33.472 19.100 1.00 38.31 C +ATOM 469 O VAL B 104 35.566 33.697 19.761 1.00 37.88 O +ATOM 470 CB VAL B 104 33.154 31.340 19.256 1.00 36.23 C +ATOM 471 CG1 VAL B 104 34.495 30.629 19.195 1.00 35.54 C +ATOM 472 CG2 VAL B 104 32.185 30.575 20.158 1.00 35.67 C +ATOM 473 N GLU B 105 34.468 33.770 17.809 1.00 39.39 N +ATOM 474 CA GLU B 105 35.578 34.450 17.164 1.00 40.80 C +ATOM 475 C GLU B 105 35.938 35.653 18.020 1.00 41.91 C +ATOM 476 O GLU B 105 37.085 35.808 18.421 1.00 42.35 O +ATOM 477 CB GLU B 105 35.204 34.884 15.748 1.00 40.76 C +ATOM 478 N ARG B 106 34.922 36.442 18.370 1.00 43.25 N +ATOM 479 CA ARG B 106 35.085 37.723 19.047 1.00 44.44 C +ATOM 480 C ARG B 106 35.711 37.689 20.427 1.00 45.03 C +ATOM 481 O ARG B 106 36.274 38.687 20.870 1.00 45.26 O +ATOM 482 CB ARG B 106 33.757 38.469 19.130 1.00 44.29 C +ATOM 483 CG ARG B 106 33.955 39.980 19.080 1.00 46.24 C +ATOM 484 CD ARG B 106 33.110 40.682 20.097 1.00 48.16 C +ATOM 485 NE ARG B 106 31.691 40.454 19.852 1.00 50.80 N +ATOM 486 CZ ARG B 106 30.726 40.809 20.699 1.00 53.22 C +ATOM 487 NH1 ARG B 106 31.041 41.419 21.849 1.00 53.48 N +ATOM 488 NH2 ARG B 106 29.448 40.553 20.400 1.00 52.37 N +ATOM 489 N LEU B 107 35.606 36.547 21.096 1.00 45.99 N +ATOM 490 CA LEU B 107 36.143 36.374 22.437 1.00 46.87 C +ATOM 491 C LEU B 107 37.633 36.043 22.435 1.00 48.55 C +ATOM 492 O LEU B 107 38.391 36.642 23.207 1.00 49.18 O +ATOM 493 CB LEU B 107 35.329 35.345 23.243 1.00 46.21 C +ATOM 494 CG LEU B 107 33.863 35.738 23.497 1.00 44.20 C +ATOM 495 CD1 LEU B 107 33.103 34.705 24.280 1.00 42.78 C +ATOM 496 CD2 LEU B 107 33.733 37.072 24.184 1.00 43.48 C +ATOM 497 N GLY B 108 38.063 35.125 21.568 1.00 50.18 N +ATOM 498 CA GLY B 108 39.483 34.749 21.474 1.00 52.03 C +ATOM 499 C GLY B 108 40.453 35.930 21.525 1.00 53.54 C +ATOM 500 O GLY B 108 41.580 35.822 22.069 1.00 53.36 O +ATOM 501 N LEU B 109 40.005 37.062 20.965 1.00 54.73 N +ATOM 502 CA LEU B 109 40.801 38.303 20.916 1.00 55.63 C +ATOM 503 C LEU B 109 40.896 38.935 22.316 1.00 55.73 C +ATOM 504 O LEU B 109 41.963 38.936 22.956 1.00 55.47 O +ATOM 505 CB LEU B 109 40.201 39.299 19.902 1.00 55.75 C +ATOM 506 CG LEU B 109 39.449 38.800 18.649 1.00 57.32 C +ATOM 507 CD1 LEU B 109 38.683 39.964 17.971 1.00 58.21 C +ATOM 508 CD2 LEU B 109 40.352 38.069 17.629 1.00 57.97 C +ATOM 510 N PRO C 701 -23.009 20.773 -7.746 1.00 80.66 N +ATOM 511 CA PRO C 701 -23.117 19.886 -8.916 1.00 80.63 C +ATOM 512 C PRO C 701 -22.102 18.726 -8.910 1.00 80.34 C +ATOM 513 O PRO C 701 -20.887 18.943 -8.822 1.00 80.22 O +ATOM 514 CB PRO C 701 -22.886 20.841 -10.094 1.00 80.66 C +ATOM 515 CG PRO C 701 -23.464 22.160 -9.600 1.00 80.77 C +ATOM 516 CD PRO C 701 -23.363 22.168 -8.072 1.00 80.79 C +ATOM 517 N ALA C 702 -22.617 17.499 -8.982 1.00 80.34 N +ATOM 518 CA ALA C 702 -21.799 16.282 -8.896 1.00 80.11 C +ATOM 519 C ALA C 702 -20.812 16.195 -10.054 1.00 79.90 C +ATOM 520 O ALA C 702 -21.217 16.210 -11.219 1.00 79.53 O +ATOM 521 CB ALA C 702 -22.689 15.038 -8.865 1.00 80.30 C +ATOM 522 N LYS C 703 -19.520 16.110 -9.720 1.00 79.59 N +ATOM 523 CA LYS C 703 -18.445 16.075 -10.723 1.00 79.11 C +ATOM 524 C LYS C 703 -18.629 14.923 -11.727 1.00 78.59 C +ATOM 525 O LYS C 703 -19.154 13.857 -11.373 1.00 78.57 O +ATOM 526 CB LYS C 703 -17.067 16.050 -10.030 1.00 78.97 C +ATOM 527 N LYS C 704 -18.249 15.139 -12.985 1.00 78.49 N +ATOM 528 CA LYS C 704 -18.214 14.035 -13.967 1.00 78.28 C +ATOM 529 C LYS C 704 -17.045 13.037 -13.670 1.00 79.56 C +ATOM 530 O LYS C 704 -16.091 13.443 -13.002 1.00 77.02 O +ATOM 531 CB LYS C 704 -18.102 14.628 -15.379 1.00 79.51 C +ATOM 532 N SER C 705 -17.133 11.758 -14.132 1.00 81.81 N +ATOM 533 CA SER C 705 -16.035 10.740 -13.964 1.00 82.82 C +ATOM 534 C SER C 705 -14.644 11.353 -14.400 1.00 80.99 C +ATOM 535 O SER C 705 -13.485 11.366 -13.499 1.00 85.03 O +ATOM 536 CB SER C 705 -16.299 9.431 -14.791 1.00 84.31 C +ATOM 537 OG SER C 705 -14.936 9.004 -15.077 1.00 93.98 O +ATOM 538 N GLU C 706 -14.774 11.884 -15.775 1.00 76.29 N +ATOM 539 CA GLU C 706 -13.519 12.616 -16.266 1.00 68.90 C +ATOM 540 C GLU C 706 -12.887 13.591 -15.254 1.00 61.95 C +ATOM 541 O GLU C 706 -11.658 13.630 -15.089 1.00 59.75 O +ATOM 542 CB GLU C 706 -13.783 13.414 -17.568 1.00 68.65 C +ATOM 543 CG GLU C 706 -14.394 12.613 -18.712 1.00 69.81 C +ATOM 544 CD GLU C 706 -15.934 12.611 -18.691 1.00 70.55 C +ATOM 545 OE1 GLU C 706 -16.528 12.455 -17.592 1.00 71.35 O +ATOM 546 OE2 GLU C 706 -16.553 12.763 -19.779 1.00 70.01 O +ATOM 547 N GLU C 707 -13.742 14.393 -14.622 1.00 54.74 N +ATOM 548 CA GLU C 707 -13.339 15.486 -13.732 1.00 48.07 C +ATOM 549 C GLU C 707 -12.704 14.962 -12.460 1.00 43.21 C +ATOM 550 O GLU C 707 -11.651 15.425 -12.069 1.00 40.61 O +ATOM 551 CB GLU C 707 -14.521 16.408 -13.418 1.00 48.31 C +ATOM 552 CG GLU C 707 -14.974 17.243 -14.619 1.00 47.68 C +ATOM 553 CD GLU C 707 -16.296 17.984 -14.385 1.00 48.67 C +ATOM 554 OE1 GLU C 707 -17.290 17.366 -13.921 1.00 50.32 O +ATOM 555 OE2 GLU C 707 -16.355 19.191 -14.694 1.00 47.97 O +ATOM 556 N LEU C 708 -13.342 13.966 -11.851 1.00 39.21 N +ATOM 557 CA LEU C 708 -12.762 13.188 -10.749 1.00 35.80 C +ATOM 558 C LEU C 708 -11.404 12.550 -11.071 1.00 33.26 C +ATOM 559 O LEU C 708 -10.527 12.507 -10.248 1.00 33.79 O +ATOM 560 CB LEU C 708 -13.740 12.096 -10.316 1.00 34.33 C +ATOM 561 CG LEU C 708 -15.013 12.552 -9.643 1.00 36.48 C +ATOM 562 CD1 LEU C 708 -15.825 11.321 -9.312 1.00 37.75 C +ATOM 563 CD2 LEU C 708 -14.754 13.408 -8.361 1.00 35.89 C +ATOM 564 N VAL C 709 -11.261 12.014 -12.269 1.00 30.47 N +ATOM 565 CA VAL C 709 -10.042 11.331 -12.663 1.00 27.73 C +ATOM 566 C VAL C 709 -8.933 12.369 -12.830 1.00 27.53 C +ATOM 567 O VAL C 709 -7.770 12.152 -12.365 1.00 28.56 O +ATOM 568 CB VAL C 709 -10.293 10.422 -13.921 1.00 27.50 C +ATOM 569 CG1 VAL C 709 -8.993 10.004 -14.667 1.00 25.86 C +ATOM 570 CG2 VAL C 709 -11.046 9.158 -13.517 1.00 26.35 C +ATOM 571 N ALA C 710 -9.267 13.501 -13.445 1.00 24.63 N +ATOM 572 CA ALA C 710 -8.308 14.541 -13.581 1.00 24.84 C +ATOM 573 C ALA C 710 -7.914 15.196 -12.254 1.00 24.38 C +ATOM 574 O ALA C 710 -6.739 15.483 -12.103 1.00 24.65 O +ATOM 575 CB ALA C 710 -8.770 15.610 -14.601 1.00 25.71 C +ATOM 576 N GLU C 711 -8.839 15.463 -11.314 1.00 24.85 N +ATOM 577 CA GLU C 711 -8.451 16.063 -9.983 1.00 24.85 C +ATOM 578 C GLU C 711 -7.472 15.104 -9.317 1.00 24.74 C +ATOM 579 O GLU C 711 -6.409 15.458 -8.864 1.00 25.96 O +ATOM 580 CB GLU C 711 -9.675 16.276 -9.072 1.00 24.79 C +ATOM 581 N ALA C 712 -7.809 13.841 -9.297 1.00 25.13 N +ATOM 582 CA ALA C 712 -6.930 12.823 -8.632 1.00 26.35 C +ATOM 583 C ALA C 712 -5.510 12.822 -9.227 1.00 26.31 C +ATOM 584 O ALA C 712 -4.496 12.708 -8.507 1.00 26.50 O +ATOM 585 CB ALA C 712 -7.567 11.375 -8.772 1.00 23.04 C +ATOM 586 N HIS C 713 -5.425 12.930 -10.555 1.00 24.68 N +ATOM 587 CA HIS C 713 -4.107 13.041 -11.179 1.00 21.68 C +ATOM 588 C HIS C 713 -3.372 14.300 -10.751 1.00 20.41 C +ATOM 589 O HIS C 713 -2.138 14.275 -10.446 1.00 18.00 O +ATOM 590 CB HIS C 713 -4.240 13.036 -12.675 1.00 21.67 C +ATOM 591 CG HIS C 713 -2.919 13.097 -13.367 1.00 25.55 C +ATOM 592 ND1 HIS C 713 -2.638 14.012 -14.354 1.00 27.24 N +ATOM 593 CD2 HIS C 713 -1.801 12.343 -13.227 1.00 29.08 C +ATOM 594 CE1 HIS C 713 -1.410 13.820 -14.804 1.00 26.20 C +ATOM 595 NE2 HIS C 713 -0.876 12.817 -14.133 1.00 29.72 N +ATOM 596 N ASN C 714 -4.137 15.392 -10.693 1.00 19.46 N +ATOM 597 CA ASN C 714 -3.593 16.706 -10.250 1.00 19.92 C +ATOM 598 C ASN C 714 -3.080 16.643 -8.852 1.00 22.57 C +ATOM 599 O ASN C 714 -2.021 17.116 -8.567 1.00 20.34 O +ATOM 600 CB ASN C 714 -4.695 17.763 -10.324 1.00 18.32 C +ATOM 601 CG ASN C 714 -5.073 18.092 -11.746 1.00 14.95 C +ATOM 602 OD1 ASN C 714 -4.263 17.942 -12.630 1.00 9.14 O +ATOM 603 ND2 ASN C 714 -6.272 18.583 -11.960 1.00 9.99 N +ATOM 604 N LEU C 715 -3.874 16.038 -7.955 1.00 28.66 N +ATOM 605 CA LEU C 715 -3.582 16.072 -6.523 1.00 30.79 C +ATOM 606 C LEU C 715 -2.415 15.089 -6.238 1.00 31.35 C +ATOM 607 O LEU C 715 -1.495 15.384 -5.499 1.00 31.55 O +ATOM 608 CB LEU C 715 -4.854 15.674 -5.781 1.00 31.76 C +ATOM 609 CG LEU C 715 -5.897 16.754 -5.887 1.00 32.08 C +ATOM 610 CD1 LEU C 715 -7.106 16.165 -5.236 1.00 32.14 C +ATOM 611 CD2 LEU C 715 -5.438 18.012 -5.046 1.00 30.32 C +ATOM 612 N CYS C 716 -2.399 13.969 -6.931 1.00 33.55 N +ATOM 613 CA CYS C 716 -1.233 13.036 -6.899 1.00 35.07 C +ATOM 614 C CYS C 716 0.149 13.625 -7.241 1.00 34.06 C +ATOM 615 O CYS C 716 1.140 13.315 -6.542 1.00 34.73 O +ATOM 616 CB CYS C 716 -1.447 11.921 -7.914 1.00 36.18 C +ATOM 617 SG CYS C 716 -2.303 10.657 -7.256 1.00 46.43 S +ATOM 618 N THR C 717 0.229 14.326 -8.375 1.00 32.24 N +ATOM 619 CA THR C 717 1.437 15.039 -8.820 1.00 32.50 C +ATOM 620 C THR C 717 1.826 16.116 -7.784 1.00 33.52 C +ATOM 621 O THR C 717 2.997 16.244 -7.387 1.00 34.98 O +ATOM 622 CB THR C 717 1.172 15.760 -10.193 1.00 34.22 C +ATOM 623 OG1 THR C 717 0.567 14.836 -11.115 1.00 33.12 O +ATOM 624 CG2 THR C 717 2.501 16.429 -10.815 1.00 30.40 C +ATOM 625 N LEU C 718 0.855 16.903 -7.354 1.00 33.35 N +ATOM 626 CA LEU C 718 1.060 17.915 -6.283 1.00 33.70 C +ATOM 627 C LEU C 718 1.630 17.254 -5.008 1.00 33.25 C +ATOM 628 O LEU C 718 2.637 17.720 -4.513 1.00 33.61 O +ATOM 629 CB LEU C 718 -0.227 18.746 -6.061 1.00 33.73 C +ATOM 630 CG LEU C 718 -0.808 19.272 -7.450 1.00 39.48 C +ATOM 631 CD1 LEU C 718 -1.970 20.240 -7.360 1.00 40.37 C +ATOM 632 CD2 LEU C 718 0.218 19.690 -8.577 1.00 37.56 C +ATOM 633 N LEU C 719 1.056 16.129 -4.548 1.00 32.27 N +ATOM 634 CA LEU C 719 1.618 15.354 -3.426 1.00 31.98 C +ATOM 635 C LEU C 719 3.030 14.810 -3.649 1.00 31.88 C +ATOM 636 O LEU C 719 3.865 14.955 -2.799 1.00 30.46 O +ATOM 637 CB LEU C 719 0.703 14.143 -3.064 1.00 33.70 C +ATOM 638 CG LEU C 719 1.135 13.381 -1.787 1.00 29.81 C +ATOM 639 CD1 LEU C 719 0.734 14.103 -0.522 1.00 26.26 C +ATOM 640 CD2 LEU C 719 0.581 11.943 -1.825 1.00 30.50 C +ATOM 641 N GLU C 720 3.315 14.206 -4.805 1.00 33.01 N +ATOM 642 CA GLU C 720 4.669 13.728 -5.081 1.00 33.65 C +ATOM 643 C GLU C 720 5.640 14.825 -4.937 1.00 32.45 C +ATOM 644 O GLU C 720 6.676 14.663 -4.336 1.00 34.11 O +ATOM 645 CB GLU C 720 4.853 13.238 -6.539 1.00 33.53 C +ATOM 646 CG GLU C 720 4.357 11.895 -6.874 1.00 36.51 C +ATOM 647 CD GLU C 720 4.823 11.475 -8.292 1.00 37.90 C +ATOM 648 OE1 GLU C 720 4.511 12.236 -9.265 1.00 40.82 O +ATOM 649 OE2 GLU C 720 5.492 10.404 -8.422 1.00 33.69 O +ATOM 650 N ASN C 721 5.378 15.907 -5.630 1.00 32.01 N +ATOM 651 CA ASN C 721 6.353 16.964 -5.713 1.00 32.35 C +ATOM 652 C ASN C 721 6.512 17.622 -4.331 1.00 32.36 C +ATOM 653 O ASN C 721 7.590 18.092 -4.009 1.00 32.13 O +ATOM 654 CB ASN C 721 5.928 17.996 -6.786 1.00 32.25 C +ATOM 655 CG ASN C 721 6.316 17.541 -8.217 1.00 32.50 C +ATOM 656 OD1 ASN C 721 7.491 17.327 -8.510 1.00 31.15 O +ATOM 657 ND2 ASN C 721 5.334 17.369 -9.073 1.00 29.76 N +ATOM 658 N ALA C 722 5.426 17.664 -3.562 1.00 31.59 N +ATOM 659 CA ALA C 722 5.427 18.291 -2.249 1.00 33.82 C +ATOM 660 C ALA C 722 6.242 17.384 -1.380 1.00 34.52 C +ATOM 661 O ALA C 722 7.037 17.852 -0.624 1.00 35.85 O +ATOM 662 CB ALA C 722 3.991 18.491 -1.708 1.00 32.61 C +ATOM 663 N ILE C 723 6.112 16.080 -1.551 1.00 35.01 N +ATOM 664 CA ILE C 723 6.931 15.178 -0.788 1.00 35.90 C +ATOM 665 C ILE C 723 8.364 15.176 -1.221 1.00 36.36 C +ATOM 666 O ILE C 723 9.236 15.199 -0.353 1.00 37.65 O +ATOM 667 CB ILE C 723 6.358 13.695 -0.711 1.00 36.69 C +ATOM 668 CG1 ILE C 723 5.156 13.637 0.246 1.00 37.64 C +ATOM 669 CG2 ILE C 723 7.443 12.707 -0.199 1.00 36.33 C +ATOM 670 CD1 ILE C 723 4.349 12.365 0.225 1.00 36.17 C +ATOM 671 N GLN C 724 8.660 15.099 -2.522 1.00 35.73 N +ATOM 672 CA GLN C 724 10.075 15.001 -2.908 1.00 36.16 C +ATOM 673 C GLN C 724 10.846 16.264 -2.486 1.00 36.52 C +ATOM 674 O GLN C 724 12.013 16.180 -2.128 1.00 36.48 O +ATOM 675 CB GLN C 724 10.290 14.709 -4.425 1.00 35.99 C +ATOM 676 N ASP C 725 10.215 17.428 -2.591 1.00 37.49 N +ATOM 677 CA ASP C 725 10.856 18.702 -2.210 1.00 39.38 C +ATOM 678 C ASP C 725 11.182 18.777 -0.707 1.00 39.31 C +ATOM 679 O ASP C 725 12.231 19.308 -0.327 1.00 39.08 O +ATOM 680 CB ASP C 725 9.967 19.880 -2.614 1.00 40.02 C +ATOM 681 CG ASP C 725 9.767 19.964 -4.131 1.00 44.17 C +ATOM 682 OD1 ASP C 725 10.751 19.753 -4.880 1.00 45.19 O +ATOM 683 OD2 ASP C 725 8.626 20.242 -4.574 1.00 49.53 O +ATOM 684 N THR C 726 10.266 18.252 0.115 1.00 39.45 N +ATOM 685 CA THR C 726 10.444 18.107 1.568 1.00 40.10 C +ATOM 686 C THR C 726 11.634 17.241 1.890 1.00 40.34 C +ATOM 687 O THR C 726 12.535 17.695 2.606 1.00 41.50 O +ATOM 688 CB THR C 726 9.182 17.500 2.237 1.00 40.18 C +ATOM 689 OG1 THR C 726 8.024 18.201 1.771 1.00 39.32 O +ATOM 690 CG2 THR C 726 9.272 17.618 3.741 1.00 40.41 C +ATOM 691 N VAL C 727 11.634 16.003 1.387 1.00 40.42 N +ATOM 692 CA VAL C 727 12.818 15.119 1.404 1.00 41.11 C +ATOM 693 C VAL C 727 14.139 15.776 0.891 1.00 41.60 C +ATOM 694 O VAL C 727 15.180 15.708 1.550 1.00 41.64 O +ATOM 695 CB VAL C 727 13.234 14.310 0.868 0.00 54.92 C +ATOM 696 CG1 VAL C 727 11.896 13.631 0.848 0.00 56.90 C +ATOM 697 CG2 VAL C 727 13.745 14.660 -0.512 0.00 54.87 C +ATOM 698 N ARG C 728 14.094 16.418 -0.268 1.00 42.11 N +ATOM 699 CA ARG C 728 15.292 17.070 -0.853 1.00 43.14 C +ATOM 700 C ARG C 728 15.851 18.246 -0.033 1.00 43.69 C +ATOM 701 O ARG C 728 17.051 18.271 0.290 1.00 43.62 O +ATOM 702 CB ARG C 728 15.034 17.526 -2.300 1.00 42.29 C +ATOM 703 N GLU C 729 14.986 19.222 0.273 1.00 44.78 N +ATOM 704 CA GLU C 729 15.378 20.437 1.015 1.00 45.51 C +ATOM 705 C GLU C 729 16.068 20.131 2.337 1.00 46.16 C +ATOM 706 O GLU C 729 17.168 20.636 2.576 1.00 46.78 O +ATOM 707 CB GLU C 729 14.182 21.367 1.247 1.00 45.69 C +ATOM 708 N GLN C 730 15.464 19.279 3.184 1.00 46.42 N +ATOM 709 CA GLN C 730 16.086 18.915 4.481 1.00 46.26 C +ATOM 710 C GLN C 730 17.435 18.213 4.336 1.00 46.21 C +ATOM 711 O GLN C 730 18.274 18.287 5.241 1.00 46.08 O +ATOM 712 CB GLN C 730 15.164 18.042 5.317 1.00 46.73 C +ATOM 713 N GLY C 731 17.609 17.538 3.195 1.00 46.58 N +ATOM 714 CA GLY C 731 18.856 16.876 2.782 1.00 46.90 C +ATOM 715 C GLY C 731 19.995 17.821 2.430 1.00 47.16 C +ATOM 716 O GLY C 731 21.089 17.368 2.062 1.00 47.88 O +ATOM 717 N ASN C 732 19.740 19.132 2.485 1.00 46.60 N +ATOM 718 CA ASN C 732 20.831 20.092 2.583 1.00 45.91 C +ATOM 719 C ASN C 732 21.001 20.319 4.091 1.00 45.02 C +ATOM 720 O ASN C 732 20.427 21.217 4.690 1.00 45.04 O +ATOM 721 CB ASN C 732 20.567 21.392 1.808 1.00 46.03 C +ATOM 722 CG ASN C 732 21.814 22.319 1.736 1.00 48.87 C +ATOM 723 OD1 ASN C 732 21.754 23.398 1.144 1.00 51.12 O +ATOM 724 ND2 ASN C 732 22.938 21.903 2.353 1.00 52.40 N +ATOM 725 N SER C 733 21.800 19.457 4.682 1.00 44.17 N +ATOM 726 CA SER C 733 21.866 19.294 6.108 1.00 43.82 C +ATOM 727 C SER C 733 22.707 20.399 6.765 1.00 43.02 C +ATOM 728 O SER C 733 23.759 20.822 6.252 1.00 41.26 O +ATOM 729 CB SER C 733 22.455 17.916 6.409 1.00 43.38 C +ATOM 730 OG SER C 733 22.272 17.573 7.775 1.00 45.58 O +ATOM 731 N MET C 734 22.254 20.854 7.925 1.00 42.75 N +ATOM 732 CA MET C 734 23.165 21.651 8.747 1.00 42.22 C +ATOM 733 C MET C 734 24.357 20.823 9.260 1.00 42.52 C +ATOM 734 O MET C 734 25.365 21.376 9.687 1.00 41.73 O +ATOM 735 CB MET C 734 22.401 22.357 9.840 1.00 42.93 C +ATOM 736 CG MET C 734 21.406 23.432 9.296 1.00 40.65 C +ATOM 737 SD MET C 734 20.787 24.479 10.629 1.00 41.88 S +ATOM 738 CE MET C 734 22.395 25.038 11.252 1.00 35.94 C +ATOM 739 N MET C 735 24.287 19.496 9.114 1.00 43.68 N +ATOM 740 CA MET C 735 25.444 18.617 9.397 1.00 45.27 C +ATOM 741 C MET C 735 26.621 18.796 8.407 1.00 45.78 C +ATOM 742 O MET C 735 27.711 18.261 8.621 1.00 46.28 O +ATOM 743 CB MET C 735 25.017 17.136 9.435 1.00 45.34 C +ATOM 744 CG MET C 735 23.819 16.753 10.394 1.00 45.77 C +ATOM 745 SD MET C 735 23.558 14.941 10.649 1.00 47.82 S +ATOM 746 CE MET C 735 23.565 14.326 8.961 1.00 48.57 C +ATOM 747 N ASN C 736 26.408 19.519 7.308 1.00 46.04 N +ATOM 748 CA ASN C 736 27.459 19.682 6.296 1.00 46.97 C +ATOM 749 C ASN C 736 28.213 21.004 6.407 1.00 46.56 C +ATOM 750 O ASN C 736 29.146 21.280 5.669 1.00 45.89 O +ATOM 751 CB ASN C 736 26.892 19.491 4.882 1.00 47.24 C +ATOM 752 CG ASN C 736 26.452 18.052 4.634 1.00 49.95 C +ATOM 753 OD1 ASN C 736 27.116 17.101 5.079 1.00 53.46 O +ATOM 754 ND2 ASN C 736 25.323 17.883 3.943 1.00 50.38 N +ATOM 755 N LEU C 737 27.812 21.807 7.366 1.00 46.16 N +ATOM 756 CA LEU C 737 28.477 23.049 7.609 1.00 46.92 C +ATOM 757 C LEU C 737 29.806 22.824 8.350 1.00 47.35 C +ATOM 758 O LEU C 737 30.079 21.703 8.798 1.00 46.84 O +ATOM 759 CB LEU C 737 27.526 23.949 8.395 1.00 47.12 C +ATOM 760 CG LEU C 737 26.402 24.749 7.706 1.00 46.49 C +ATOM 761 CD1 LEU C 737 26.181 24.539 6.220 1.00 49.41 C +ATOM 762 CD2 LEU C 737 25.145 24.516 8.470 1.00 42.83 C +ATOM 763 N ASP C 738 30.638 23.874 8.425 1.00 48.24 N +ATOM 764 CA ASP C 738 31.902 23.837 9.165 1.00 48.79 C +ATOM 765 C ASP C 738 31.583 24.137 10.631 1.00 48.45 C +ATOM 766 O ASP C 738 31.120 25.237 10.968 1.00 48.16 O +ATOM 767 CB ASP C 738 32.881 24.882 8.630 1.00 49.89 C +ATOM 768 CG ASP C 738 34.303 24.761 9.245 1.00 52.76 C +ATOM 769 OD1 ASP C 738 35.048 23.861 8.803 1.00 56.74 O +ATOM 770 OD2 ASP C 738 34.699 25.583 10.125 1.00 54.51 O +ATOM 771 N TRP C 739 31.814 23.134 11.478 1.00 47.44 N +ATOM 772 CA TRP C 739 31.527 23.222 12.876 1.00 47.35 C +ATOM 773 C TRP C 739 32.810 23.323 13.677 1.00 47.86 C +ATOM 774 O TRP C 739 32.798 23.207 14.892 1.00 48.30 O +ATOM 775 CB TRP C 739 30.725 21.994 13.283 1.00 46.54 C +ATOM 776 CG TRP C 739 29.326 22.087 12.836 1.00 45.95 C +ATOM 777 CD1 TRP C 739 28.736 21.442 11.764 1.00 46.09 C +ATOM 778 CD2 TRP C 739 28.323 22.910 13.412 1.00 45.79 C +ATOM 779 NE1 TRP C 739 27.412 21.829 11.659 1.00 46.01 N +ATOM 780 CE2 TRP C 739 27.133 22.708 12.671 1.00 45.01 C +ATOM 781 CE3 TRP C 739 28.304 23.800 14.509 1.00 47.47 C +ATOM 782 CZ2 TRP C 739 25.947 23.346 12.993 1.00 46.03 C +ATOM 783 CZ3 TRP C 739 27.122 24.456 14.820 1.00 44.60 C +ATOM 784 CH2 TRP C 739 25.961 24.230 14.061 1.00 46.40 C +ATOM 785 N SER C 740 33.920 23.552 12.990 1.00 47.39 N +ATOM 786 CA SER C 740 35.231 23.393 13.594 1.00 46.84 C +ATOM 787 C SER C 740 35.649 24.600 14.393 1.00 46.86 C +ATOM 788 O SER C 740 36.597 24.521 15.150 1.00 47.63 O +ATOM 789 CB SER C 740 36.282 23.066 12.519 1.00 46.42 C +ATOM 790 OG SER C 740 36.445 24.160 11.640 1.00 44.70 O +ATOM 791 N TRP C 741 34.961 25.720 14.216 1.00 47.07 N +ATOM 792 CA TRP C 741 35.082 26.858 15.123 1.00 46.85 C +ATOM 793 C TRP C 741 34.740 26.454 16.579 1.00 48.24 C +ATOM 794 O TRP C 741 35.020 27.201 17.544 1.00 48.13 O +ATOM 795 CB TRP C 741 34.210 28.032 14.659 1.00 45.75 C +ATOM 796 CG TRP C 741 32.761 27.692 14.498 1.00 43.71 C +ATOM 797 CD1 TRP C 741 32.153 27.219 13.372 1.00 41.46 C +ATOM 798 CD2 TRP C 741 31.736 27.757 15.516 1.00 43.68 C +ATOM 799 NE1 TRP C 741 30.820 26.980 13.623 1.00 42.70 N +ATOM 800 CE2 TRP C 741 30.539 27.312 14.930 1.00 42.83 C +ATOM 801 CE3 TRP C 741 31.715 28.167 16.863 1.00 42.03 C +ATOM 802 CZ2 TRP C 741 29.325 27.279 15.641 1.00 45.09 C +ATOM 803 CZ3 TRP C 741 30.501 28.132 17.558 1.00 41.84 C +ATOM 804 CH2 TRP C 741 29.335 27.680 16.953 1.00 42.28 C +ATOM 805 N LEU C 742 34.169 25.260 16.729 1.00 49.54 N +ATOM 806 CA LEU C 742 33.719 24.780 18.020 1.00 51.08 C +ATOM 807 C LEU C 742 34.857 24.073 18.759 1.00 52.74 C +ATOM 808 O LEU C 742 34.745 23.763 19.950 1.00 53.79 O +ATOM 809 CB LEU C 742 32.480 23.888 17.856 1.00 51.02 C +ATOM 810 CG LEU C 742 31.066 24.466 18.067 1.00 50.94 C +ATOM 811 CD1 LEU C 742 30.022 23.416 17.787 1.00 50.38 C +ATOM 812 CD2 LEU C 742 30.871 24.997 19.491 1.00 48.26 C +ATOM 813 N THR C 743 35.952 23.798 18.040 1.00 54.35 N +ATOM 814 CA THR C 743 37.258 23.487 18.668 1.00 54.94 C +ATOM 815 C THR C 743 38.427 23.943 17.773 1.00 55.03 C +ATOM 816 O THR C 743 39.157 24.889 18.108 1.00 54.97 O +ATOM 817 CB THR C 743 37.398 21.990 19.006 1.00 55.37 C +ATOM 818 OG1 THR C 743 36.101 21.377 19.008 1.00 56.25 O +ATOM 819 CG2 THR C 743 38.068 21.807 20.374 1.00 55.62 C Added: SwiftApps/modFTdock/input/indata/3ci9-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3ci9-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3ci9-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,710 @@ +ATOM 1 N PRO A 6 -2.530 -10.242 -45.699 1.00 58.62 N +ATOM 2 CA PRO A 6 -2.068 -11.607 -45.431 1.00 59.02 C +ATOM 3 C PRO A 6 -2.986 -12.335 -44.456 1.00 58.98 C +ATOM 4 O PRO A 6 -2.591 -13.345 -43.873 1.00 58.54 O +ATOM 5 CB PRO A 6 -0.694 -11.387 -44.795 1.00 58.43 C +ATOM 6 CG PRO A 6 -0.226 -10.095 -45.362 1.00 58.04 C +ATOM 7 CD PRO A 6 -1.457 -9.248 -45.525 1.00 58.15 C +ATOM 8 N LYS A 7 -4.201 -11.823 -44.285 1.00 59.78 N +ATOM 9 CA LYS A 7 -5.048 -12.217 -43.165 1.00 59.16 C +ATOM 10 C LYS A 7 -6.212 -13.084 -43.633 1.00 58.75 C +ATOM 11 O LYS A 7 -6.854 -12.787 -44.640 1.00 58.36 O +ATOM 12 CB LYS A 7 -5.574 -10.983 -42.431 1.00 59.03 C +ATOM 13 CG LYS A 7 -4.795 -10.629 -41.174 1.00 57.90 C +ATOM 14 CD LYS A 7 -4.612 -9.126 -41.042 1.00 57.92 C +ATOM 15 CE LYS A 7 -3.719 -8.780 -39.862 1.00 56.55 C +ATOM 16 NZ LYS A 7 -3.568 -7.308 -39.693 1.00 55.69 N +ATOM 17 N THR A 8 -6.478 -14.157 -42.895 1.00 58.63 N +ATOM 18 CA THR A 8 -7.574 -15.055 -43.220 1.00 58.19 C +ATOM 19 C THR A 8 -8.557 -15.041 -42.059 1.00 58.25 C +ATOM 20 O THR A 8 -8.394 -14.281 -41.099 1.00 56.21 O +ATOM 21 CB THR A 8 -7.091 -16.508 -43.450 1.00 58.52 C +ATOM 22 OG1 THR A 8 -8.224 -17.386 -43.470 1.00 58.47 O +ATOM 23 CG2 THR A 8 -6.130 -16.947 -42.355 1.00 57.53 C +ATOM 24 N VAL A 9 -9.577 -15.883 -42.150 1.00 59.26 N +ATOM 25 CA VAL A 9 -10.582 -15.950 -41.109 1.00 60.87 C +ATOM 26 C VAL A 9 -9.918 -16.222 -39.770 1.00 62.51 C +ATOM 27 O VAL A 9 -10.269 -15.604 -38.761 1.00 63.36 O +ATOM 28 CB VAL A 9 -11.609 -17.053 -41.393 1.00 60.94 C +ATOM 29 CG1 VAL A 9 -12.792 -16.903 -40.453 1.00 60.17 C +ATOM 30 CG2 VAL A 9 -12.066 -16.973 -42.839 1.00 61.38 C +ATOM 31 N GLN A 10 -8.958 -17.146 -39.761 1.00 62.99 N +ATOM 32 CA GLN A 10 -8.246 -17.475 -38.533 1.00 62.50 C +ATOM 33 C GLN A 10 -7.931 -16.163 -37.835 1.00 62.28 C +ATOM 34 O GLN A 10 -8.408 -15.910 -36.723 1.00 63.59 O +ATOM 35 CB GLN A 10 -6.954 -18.234 -38.843 1.00 62.20 C +ATOM 36 CG GLN A 10 -7.182 -19.642 -39.366 1.00 62.68 C +ATOM 37 CD GLN A 10 -5.913 -20.273 -39.902 1.00 64.10 C +ATOM 38 OE1 GLN A 10 -5.263 -19.717 -40.787 1.00 65.48 O +ATOM 39 NE2 GLN A 10 -5.554 -21.440 -39.373 1.00 63.80 N +ATOM 40 N ASP A 11 -7.154 -15.318 -38.506 1.00 60.70 N +ATOM 41 CA ASP A 11 -6.792 -14.023 -37.945 1.00 58.95 C +ATOM 42 C ASP A 11 -7.973 -13.350 -37.263 1.00 56.67 C +ATOM 43 O ASP A 11 -7.839 -12.815 -36.166 1.00 55.93 O +ATOM 44 CB ASP A 11 -6.249 -13.101 -39.035 1.00 59.81 C +ATOM 45 CG ASP A 11 -4.772 -13.294 -39.266 1.00 61.22 C +ATOM 46 OD1 ASP A 11 -4.377 -14.403 -39.686 1.00 61.67 O +ATOM 47 OD2 ASP A 11 -4.007 -12.335 -39.017 1.00 61.28 O +ATOM 48 N LEU A 12 -9.130 -13.389 -37.911 1.00 54.49 N +ATOM 49 CA LEU A 12 -10.315 -12.764 -37.354 1.00 52.79 C +ATOM 50 C LEU A 12 -10.713 -13.380 -36.033 1.00 52.19 C +ATOM 51 O LEU A 12 -11.147 -12.679 -35.120 1.00 52.80 O +ATOM 52 CB LEU A 12 -11.494 -12.876 -38.315 1.00 51.50 C +ATOM 53 CG LEU A 12 -12.790 -12.300 -37.748 1.00 51.07 C +ATOM 54 CD1 LEU A 12 -12.649 -10.796 -37.574 1.00 48.73 C +ATOM 55 CD2 LEU A 12 -13.939 -12.631 -38.676 1.00 51.17 C +ATOM 56 N THR A 13 -10.560 -14.692 -35.925 1.00 51.28 N +ATOM 57 CA THR A 13 -10.953 -15.371 -34.706 1.00 50.90 C +ATOM 58 C THR A 13 -9.901 -15.454 -33.611 1.00 49.74 C +ATOM 59 O THR A 13 -10.176 -15.971 -32.532 1.00 50.33 O +ATOM 60 CB THR A 13 -11.483 -16.758 -35.028 1.00 51.78 C +ATOM 61 OG1 THR A 13 -10.450 -17.539 -35.638 1.00 53.11 O +ATOM 62 CG2 THR A 13 -12.661 -16.631 -35.979 1.00 50.65 C +ATOM 63 N SER A 14 -8.706 -14.946 -33.893 1.00 48.49 N +ATOM 64 CA SER A 14 -7.693 -14.753 -32.862 1.00 47.11 C +ATOM 65 C SER A 14 -7.729 -13.331 -32.313 1.00 46.49 C +ATOM 66 O SER A 14 -7.172 -13.051 -31.251 1.00 46.08 O +ATOM 67 CB SER A 14 -6.301 -15.069 -33.413 1.00 46.54 C +ATOM 68 OG SER A 14 -6.286 -16.323 -34.073 1.00 47.96 O +ATOM 69 N VAL A 15 -8.387 -12.437 -33.043 1.00 44.99 N +ATOM 70 CA VAL A 15 -8.738 -11.124 -32.513 1.00 43.64 C +ATOM 71 C VAL A 15 -9.929 -11.212 -31.566 1.00 43.23 C +ATOM 72 O VAL A 15 -9.981 -10.516 -30.552 1.00 42.50 O +ATOM 73 CB VAL A 15 -9.064 -10.129 -33.642 1.00 43.35 C +ATOM 74 CG1 VAL A 15 -9.710 -8.875 -33.073 1.00 42.98 C +ATOM 75 CG2 VAL A 15 -7.805 -9.782 -34.422 1.00 41.76 C +ATOM 76 N VAL A 16 -10.885 -12.072 -31.903 1.00 42.58 N +ATOM 77 CA VAL A 16 -12.134 -12.157 -31.161 1.00 41.96 C +ATOM 78 C VAL A 16 -11.877 -12.955 -29.900 1.00 43.33 C +ATOM 79 O VAL A 16 -12.578 -12.809 -28.899 1.00 43.92 O +ATOM 80 CB VAL A 16 -13.225 -12.863 -31.982 1.00 39.98 C +ATOM 81 CG1 VAL A 16 -14.502 -12.975 -31.164 1.00 38.55 C +ATOM 82 CG2 VAL A 16 -13.483 -12.092 -33.264 1.00 38.53 C +ATOM 83 N GLN A 17 -10.853 -13.798 -29.964 1.00 44.20 N +ATOM 84 CA GLN A 17 -10.472 -14.646 -28.844 1.00 45.30 C +ATOM 85 C GLN A 17 -9.636 -13.854 -27.840 1.00 44.45 C +ATOM 86 O GLN A 17 -9.703 -14.083 -26.634 1.00 45.00 O +ATOM 87 CB GLN A 17 -9.684 -15.844 -29.367 1.00 46.49 C +ATOM 88 CG GLN A 17 -9.351 -16.869 -28.313 1.00 50.82 C +ATOM 89 CD GLN A 17 -8.818 -18.149 -28.920 1.00 53.57 C +ATOM 90 OE1 GLN A 17 -7.874 -18.124 -29.715 1.00 56.33 O +ATOM 91 NE2 GLN A 17 -9.418 -19.278 -28.551 1.00 53.12 N +ATOM 92 N THR A 18 -8.843 -12.925 -28.357 1.00 42.99 N +ATOM 93 CA THR A 18 -8.009 -12.074 -27.532 1.00 40.92 C +ATOM 94 C THR A 18 -8.936 -11.124 -26.799 1.00 40.71 C +ATOM 95 O THR A 18 -8.816 -10.923 -25.591 1.00 40.86 O +ATOM 96 CB THR A 18 -7.026 -11.263 -28.404 1.00 40.56 C +ATOM 97 OG1 THR A 18 -5.950 -12.112 -28.808 1.00 39.97 O +ATOM 98 CG2 THR A 18 -6.470 -10.062 -27.648 1.00 40.33 C +ATOM 99 N LEU A 19 -9.870 -10.549 -27.546 1.00 39.47 N +ATOM 100 CA LEU A 19 -10.824 -9.614 -26.978 1.00 39.74 C +ATOM 101 C LEU A 19 -11.542 -10.229 -25.797 1.00 39.72 C +ATOM 102 O LEU A 19 -11.559 -9.653 -24.713 1.00 41.33 O +ATOM 103 CB LEU A 19 -11.847 -9.174 -28.033 1.00 40.65 C +ATOM 104 CG LEU A 19 -11.278 -8.302 -29.160 1.00 43.88 C +ATOM 105 CD1 LEU A 19 -12.366 -7.944 -30.169 1.00 42.54 C +ATOM 106 CD2 LEU A 19 -10.663 -7.038 -28.551 1.00 44.00 C +ATOM 107 N LEU A 20 -12.128 -11.403 -26.007 1.00 39.42 N +ATOM 108 CA LEU A 20 -12.865 -12.083 -24.954 1.00 39.54 C +ATOM 109 C LEU A 20 -11.976 -12.471 -23.776 1.00 39.18 C +ATOM 110 O LEU A 20 -12.412 -12.417 -22.627 1.00 38.41 O +ATOM 111 CB LEU A 20 -13.593 -13.299 -25.536 1.00 40.33 C +ATOM 112 CG LEU A 20 -14.960 -13.036 -26.208 1.00 42.07 C +ATOM 113 CD1 LEU A 20 -16.046 -12.932 -25.157 1.00 43.16 C +ATOM 114 CD2 LEU A 20 -14.926 -11.764 -27.031 1.00 42.89 C +ATOM 115 N GLN A 21 -10.732 -12.851 -24.059 1.00 39.62 N +ATOM 116 CA GLN A 21 -9.779 -13.211 -23.011 1.00 39.11 C +ATOM 117 C GLN A 21 -9.551 -11.996 -22.119 1.00 38.95 C +ATOM 118 O GLN A 21 -9.808 -12.038 -20.916 1.00 38.76 O +ATOM 119 CB GLN A 21 -8.436 -13.643 -23.625 1.00 40.86 C +ATOM 120 CG GLN A 21 -7.210 -13.460 -22.698 1.00 43.00 C +ATOM 121 CD GLN A 21 -6.177 -12.429 -23.209 1.00 44.35 C +ATOM 122 OE1 GLN A 21 -5.291 -12.001 -22.464 1.00 43.35 O +ATOM 123 NE2 GLN A 21 -6.287 -12.048 -24.478 1.00 44.52 N +ATOM 124 N GLN A 22 -9.070 -10.912 -22.727 1.00 38.40 N +ATOM 125 CA GLN A 22 -8.780 -9.682 -22.001 1.00 37.02 C +ATOM 126 C GLN A 22 -9.985 -9.188 -21.232 1.00 36.77 C +ATOM 127 O GLN A 22 -9.845 -8.450 -20.269 1.00 36.97 O +ATOM 128 CB GLN A 22 -8.320 -8.600 -22.966 1.00 36.69 C +ATOM 129 CG GLN A 22 -7.169 -9.018 -23.851 1.00 37.21 C +ATOM 130 CD GLN A 22 -6.568 -7.838 -24.581 1.00 39.24 C +ATOM 131 OE1 GLN A 22 -7.290 -7.032 -25.172 1.00 38.95 O +ATOM 132 NE2 GLN A 22 -5.240 -7.725 -24.546 1.00 39.85 N +ATOM 133 N MET A 23 -11.171 -9.603 -21.665 1.00 38.34 N +ATOM 134 CA MET A 23 -12.411 -9.200 -21.013 1.00 38.71 C +ATOM 135 C MET A 23 -12.740 -10.116 -19.839 1.00 36.89 C +ATOM 136 O MET A 23 -13.413 -9.709 -18.892 1.00 34.96 O +ATOM 137 CB MET A 23 -13.566 -9.194 -22.016 1.00 41.31 C +ATOM 138 CG MET A 23 -14.039 -7.805 -22.410 1.00 43.69 C +ATOM 139 SD MET A 23 -15.556 -7.321 -21.564 1.00 49.92 S +ATOM 140 CE MET A 23 -15.006 -5.856 -20.693 1.00 47.99 C +ATOM 141 N GLN A 24 -12.262 -11.355 -19.907 1.00 37.71 N +ATOM 142 CA GLN A 24 -12.409 -12.289 -18.799 1.00 38.92 C +ATOM 143 C GLN A 24 -11.345 -11.916 -17.763 1.00 37.77 C +ATOM 144 O GLN A 24 -11.593 -11.965 -16.556 1.00 38.21 O +ATOM 145 CB GLN A 24 -12.179 -13.711 -19.302 1.00 40.45 C +ATOM 146 CG GLN A 24 -12.802 -14.802 -18.468 1.00 43.84 C +ATOM 147 CD GLN A 24 -12.462 -16.178 -19.009 1.00 47.40 C +ATOM 148 OE1 GLN A 24 -11.400 -16.738 -18.700 1.00 48.92 O +ATOM 149 NE2 GLN A 24 -13.353 -16.726 -19.839 1.00 46.97 N +ATOM 150 N ASP A 25 -10.164 -11.540 -18.260 1.00 36.15 N +ATOM 151 CA ASP A 25 -9.046 -11.126 -17.414 1.00 35.12 C +ATOM 152 C ASP A 25 -9.463 -9.940 -16.541 1.00 33.06 C +ATOM 153 O ASP A 25 -9.177 -9.903 -15.344 1.00 32.56 O +ATOM 154 CB ASP A 25 -7.841 -10.723 -18.279 1.00 36.15 C +ATOM 155 CG ASP A 25 -7.113 -11.922 -18.896 1.00 38.18 C +ATOM 156 OD1 ASP A 25 -7.579 -13.071 -18.740 1.00 36.08 O +ATOM 157 OD2 ASP A 25 -6.064 -11.703 -19.546 1.00 39.76 O +ATOM 158 N LYS A 26 -10.139 -8.976 -17.156 1.00 31.01 N +ATOM 159 CA LYS A 26 -10.612 -7.787 -16.467 1.00 31.08 C +ATOM 160 C LYS A 26 -11.600 -8.098 -15.348 1.00 33.30 C +ATOM 161 O LYS A 26 -11.556 -7.466 -14.292 1.00 33.96 O +ATOM 162 CB LYS A 26 -11.269 -6.840 -17.467 1.00 30.59 C +ATOM 163 CG LYS A 26 -12.226 -5.826 -16.848 1.00 30.89 C +ATOM 164 CD LYS A 26 -11.676 -4.422 -16.928 1.00 32.22 C +ATOM 165 CE LYS A 26 -12.654 -3.439 -16.343 1.00 31.13 C +ATOM 166 NZ LYS A 26 -12.123 -2.064 -16.434 1.00 33.35 N +ATOM 167 N PHE A 27 -12.492 -9.059 -15.574 1.00 33.18 N +ATOM 168 CA PHE A 27 -13.494 -9.407 -14.571 1.00 34.37 C +ATOM 169 C PHE A 27 -12.997 -10.361 -13.478 1.00 33.05 C +ATOM 170 O PHE A 27 -13.431 -10.275 -12.332 1.00 31.19 O +ATOM 171 CB PHE A 27 -14.737 -9.953 -15.276 1.00 38.37 C +ATOM 172 CG PHE A 27 -15.348 -8.971 -16.245 1.00 43.23 C +ATOM 173 CD1 PHE A 27 -15.839 -9.393 -17.475 1.00 44.51 C +ATOM 174 CD2 PHE A 27 -15.399 -7.609 -15.939 1.00 44.47 C +ATOM 175 CE1 PHE A 27 -16.367 -8.477 -18.389 1.00 45.13 C +ATOM 176 CE2 PHE A 27 -15.926 -6.688 -16.847 1.00 44.23 C +ATOM 177 CZ PHE A 27 -16.410 -7.123 -18.072 1.00 43.75 C +ATOM 178 N GLN A 28 -12.086 -11.268 -13.815 1.00 33.04 N +ATOM 179 CA GLN A 28 -11.556 -12.158 -12.786 1.00 33.90 C +ATOM 180 C GLN A 28 -10.675 -11.310 -11.859 1.00 32.21 C +ATOM 181 O GLN A 28 -10.523 -11.601 -10.673 1.00 30.47 O +ATOM 182 CB GLN A 28 -10.727 -13.292 -13.400 1.00 34.42 C +ATOM 183 CG GLN A 28 -10.148 -14.259 -12.349 1.00 38.65 C +ATOM 184 CD GLN A 28 -11.217 -14.932 -11.468 1.00 39.74 C +ATOM 185 OE1 GLN A 28 -12.078 -15.669 -11.963 1.00 41.14 O +ATOM 186 NE2 GLN A 28 -11.155 -14.681 -10.158 1.00 38.31 N +ATOM 187 N THR A 29 -10.096 -10.258 -12.425 1.00 31.53 N +ATOM 188 CA THR A 29 -9.253 -9.337 -11.677 1.00 31.56 C +ATOM 189 C THR A 29 -10.116 -8.631 -10.630 1.00 29.75 C +ATOM 190 O THR A 29 -9.745 -8.539 -9.460 1.00 28.29 O +ATOM 191 CB THR A 29 -8.626 -8.289 -12.627 1.00 34.26 C +ATOM 192 OG1 THR A 29 -7.783 -8.964 -13.574 1.00 36.82 O +ATOM 193 CG2 THR A 29 -7.818 -7.232 -11.842 1.00 32.18 C +ATOM 194 N ILE A 30 -11.271 -8.133 -11.058 1.00 27.31 N +ATOM 195 CA ILE A 30 -12.174 -7.472 -10.135 1.00 26.64 C +ATOM 196 C ILE A 30 -12.662 -8.471 -9.077 1.00 25.43 C +ATOM 197 O ILE A 30 -12.826 -8.109 -7.915 1.00 26.13 O +ATOM 198 CB ILE A 30 -13.395 -6.879 -10.868 1.00 27.77 C +ATOM 199 CG1 ILE A 30 -12.948 -5.821 -11.874 1.00 28.43 C +ATOM 200 CG2 ILE A 30 -14.347 -6.249 -9.868 1.00 28.75 C +ATOM 201 CD1 ILE A 30 -14.105 -5.202 -12.632 1.00 28.75 C +ATOM 202 N SER A 31 -12.899 -9.722 -9.473 1.00 24.80 N +ATOM 203 CA SER A 31 -13.357 -10.742 -8.528 1.00 24.25 C +ATOM 204 C SER A 31 -12.272 -11.055 -7.517 1.00 23.62 C +ATOM 205 O SER A 31 -12.547 -11.324 -6.350 1.00 22.53 O +ATOM 206 CB SER A 31 -13.734 -12.032 -9.250 1.00 26.34 C +ATOM 207 OG SER A 31 -14.922 -11.866 -9.995 1.00 30.33 O +ATOM 208 N ASP A 32 -11.032 -11.032 -7.983 1.00 24.55 N +ATOM 209 CA ASP A 32 -9.893 -11.305 -7.125 1.00 25.82 C +ATOM 210 C ASP A 32 -9.748 -10.241 -6.037 1.00 25.15 C +ATOM 211 O ASP A 32 -9.478 -10.566 -4.879 1.00 25.02 O +ATOM 212 CB ASP A 32 -8.615 -11.380 -7.967 1.00 28.63 C +ATOM 213 CG ASP A 32 -8.537 -12.652 -8.800 1.00 30.91 C +ATOM 214 OD1 ASP A 32 -7.537 -12.811 -9.534 1.00 33.36 O +ATOM 215 OD2 ASP A 32 -9.470 -13.487 -8.715 1.00 30.59 O +ATOM 216 N GLN A 33 -9.930 -8.975 -6.410 1.00 24.61 N +ATOM 217 CA GLN A 33 -9.820 -7.874 -5.451 1.00 23.91 C +ATOM 218 C GLN A 33 -10.937 -7.994 -4.421 1.00 24.10 C +ATOM 219 O GLN A 33 -10.756 -7.649 -3.255 1.00 23.33 O +ATOM 220 CB GLN A 33 -9.934 -6.521 -6.162 1.00 25.81 C +ATOM 221 CG GLN A 33 -9.070 -6.380 -7.424 1.00 25.64 C +ATOM 222 CD GLN A 33 -9.233 -5.026 -8.117 1.00 24.74 C +ATOM 223 OE1 GLN A 33 -10.320 -4.439 -8.127 1.00 23.12 O +ATOM 224 NE2 GLN A 33 -8.156 -4.541 -8.716 1.00 25.84 N +ATOM 225 N ILE A 34 -12.095 -8.483 -4.870 1.00 24.38 N +ATOM 226 CA ILE A 34 -13.256 -8.670 -3.998 1.00 23.82 C +ATOM 227 C ILE A 34 -12.933 -9.795 -3.027 1.00 23.20 C +ATOM 228 O ILE A 34 -13.159 -9.677 -1.821 1.00 22.23 O +ATOM 229 CB ILE A 34 -14.544 -9.031 -4.817 1.00 24.21 C +ATOM 230 CG1 ILE A 34 -15.018 -7.809 -5.617 1.00 23.60 C +ATOM 231 CG2 ILE A 34 -15.658 -9.496 -3.887 1.00 21.27 C +ATOM 232 CD1 ILE A 34 -16.355 -8.013 -6.319 1.00 21.24 C +ATOM 233 N ILE A 35 -12.385 -10.881 -3.564 1.00 24.17 N +ATOM 234 CA ILE A 35 -12.010 -12.032 -2.747 1.00 24.06 C +ATOM 235 C ILE A 35 -10.957 -11.603 -1.739 1.00 23.02 C +ATOM 236 O ILE A 35 -10.932 -12.087 -0.610 1.00 23.30 O +ATOM 237 CB ILE A 35 -11.466 -13.175 -3.624 1.00 24.94 C +ATOM 238 CG1 ILE A 35 -12.591 -13.687 -4.542 1.00 24.77 C +ATOM 239 CG2 ILE A 35 -10.917 -14.293 -2.742 1.00 23.71 C +ATOM 240 CD1 ILE A 35 -12.139 -14.556 -5.706 1.00 25.91 C +ATOM 241 N GLY A 36 -10.092 -10.682 -2.154 1.00 24.02 N +ATOM 242 CA GLY A 36 -9.070 -10.190 -1.258 1.00 21.25 C +ATOM 243 C GLY A 36 -9.721 -9.517 -0.074 1.00 23.09 C +ATOM 244 O GLY A 36 -9.338 -9.760 1.069 1.00 23.49 O +ATOM 245 N ARG A 37 -10.717 -8.678 -0.349 1.00 24.78 N +ATOM 246 CA ARG A 37 -11.441 -7.959 0.701 1.00 27.55 C +ATOM 247 C ARG A 37 -12.151 -8.904 1.664 1.00 26.61 C +ATOM 248 O ARG A 37 -12.185 -8.665 2.872 1.00 25.64 O +ATOM 249 CB ARG A 37 -12.472 -6.996 0.089 1.00 33.95 C +ATOM 250 CG ARG A 37 -11.871 -5.815 -0.686 1.00 38.38 C +ATOM 251 CD ARG A 37 -12.940 -4.871 -1.259 1.00 42.81 C +ATOM 252 NE ARG A 37 -13.750 -4.197 -0.240 1.00 47.70 N +ATOM 253 CZ ARG A 37 -13.266 -3.410 0.722 1.00 51.39 C +ATOM 254 NH1 ARG A 37 -11.960 -3.190 0.821 1.00 53.33 N +ATOM 255 NH2 ARG A 37 -14.093 -2.830 1.586 1.00 51.10 N +ATOM 256 N ILE A 38 -12.726 -9.973 1.127 1.00 26.45 N +ATOM 257 CA ILE A 38 -13.421 -10.942 1.960 1.00 27.85 C +ATOM 258 C ILE A 38 -12.425 -11.639 2.881 1.00 29.06 C +ATOM 259 O ILE A 38 -12.727 -11.916 4.041 1.00 29.01 O +ATOM 260 CB ILE A 38 -14.156 -11.998 1.101 1.00 27.34 C +ATOM 261 CG1 ILE A 38 -15.234 -11.310 0.251 1.00 25.64 C +ATOM 262 CG2 ILE A 38 -14.772 -13.055 2.002 1.00 27.19 C +ATOM 263 CD1 ILE A 38 -16.028 -12.246 -0.623 1.00 23.80 C +ATOM 264 N ASP A 39 -11.227 -11.909 2.366 1.00 31.23 N +ATOM 265 CA ASP A 39 -10.204 -12.571 3.163 1.00 32.39 C +ATOM 266 C ASP A 39 -9.796 -11.757 4.392 1.00 34.63 C +ATOM 267 O ASP A 39 -9.625 -12.314 5.479 1.00 33.17 O +ATOM 268 CB ASP A 39 -8.980 -12.871 2.307 1.00 34.66 C +ATOM 269 CG ASP A 39 -9.192 -14.057 1.398 1.00 37.26 C +ATOM 270 OD1 ASP A 39 -9.710 -15.082 1.886 1.00 37.79 O +ATOM 271 OD2 ASP A 39 -8.837 -13.976 0.203 1.00 39.95 O +ATOM 272 N ASP A 40 -9.639 -10.443 4.225 1.00 36.10 N +ATOM 273 CA ASP A 40 -9.263 -9.593 5.351 1.00 38.17 C +ATOM 274 C ASP A 40 -10.389 -9.589 6.377 1.00 38.79 C +ATOM 275 O ASP A 40 -10.141 -9.674 7.578 1.00 37.64 O +ATOM 276 CB ASP A 40 -8.982 -8.157 4.896 1.00 40.07 C +ATOM 277 CG ASP A 40 -7.870 -8.074 3.862 1.00 42.73 C +ATOM 278 OD1 ASP A 40 -6.917 -8.889 3.911 1.00 43.20 O +ATOM 279 OD2 ASP A 40 -7.945 -7.172 3.004 1.00 44.87 O +ATOM 280 N MET A 41 -11.626 -9.489 5.893 1.00 38.92 N +ATOM 281 CA MET A 41 -12.795 -9.493 6.764 1.00 38.28 C +ATOM 282 C MET A 41 -12.914 -10.799 7.523 1.00 37.43 C +ATOM 283 O MET A 41 -13.412 -10.822 8.638 1.00 37.85 O +ATOM 284 CB MET A 41 -14.067 -9.281 5.952 1.00 38.43 C +ATOM 285 CG MET A 41 -14.494 -7.834 5.844 1.00 41.79 C +ATOM 286 SD MET A 41 -16.113 -7.691 5.093 1.00 44.09 S +ATOM 287 CE MET A 41 -16.988 -9.051 5.912 1.00 40.31 C +ATOM 288 N SER A 42 -12.463 -11.886 6.909 1.00 38.78 N +ATOM 289 CA SER A 42 -12.530 -13.201 7.541 1.00 40.05 C +ATOM 290 C SER A 42 -11.480 -13.340 8.639 1.00 40.60 C +ATOM 291 O SER A 42 -11.636 -14.157 9.546 1.00 40.53 O +ATOM 292 CB SER A 42 -12.339 -14.305 6.498 1.00 39.68 C +ATOM 293 OG SER A 42 -12.645 -15.569 7.055 1.00 41.55 O +ATOM 294 N SER A 43 -10.416 -12.540 8.550 1.00 41.44 N +ATOM 295 CA SER A 43 -9.335 -12.545 9.546 1.00 42.28 C +ATOM 296 C SER A 43 -9.794 -11.748 10.772 1.00 41.77 C +ATOM 297 O SER A 43 -9.572 -12.161 11.914 1.00 42.66 O +ATOM 298 CB SER A 43 -8.061 -11.924 8.958 1.00 42.37 C +ATOM 299 OG SER A 43 -6.957 -12.098 9.828 1.00 46.16 O +ATOM 300 N ARG A 44 -10.427 -10.603 10.527 1.00 40.23 N +ATOM 301 CA ARG A 44 -10.963 -9.775 11.602 1.00 39.70 C +ATOM 302 C ARG A 44 -12.007 -10.622 12.347 1.00 39.20 C +ATOM 303 O ARG A 44 -12.006 -10.687 13.573 1.00 38.03 O +ATOM 304 CB ARG A 44 -11.618 -8.507 11.025 1.00 39.75 C +ATOM 305 CG ARG A 44 -10.634 -7.411 10.589 1.00 38.97 C +ATOM 306 CD ARG A 44 -11.259 -6.371 9.634 1.00 36.48 C +ATOM 307 NE ARG A 44 -12.494 -5.764 10.136 1.00 38.74 N +ATOM 308 CZ ARG A 44 -13.221 -4.868 9.465 1.00 39.47 C +ATOM 309 NH1 ARG A 44 -14.332 -4.373 9.993 1.00 40.12 N +ATOM 310 NH2 ARG A 44 -12.840 -4.457 8.262 1.00 39.59 N +ATOM 311 N ILE A 45 -12.893 -11.278 11.596 1.00 40.66 N +ATOM 312 CA ILE A 45 -13.921 -12.133 12.200 1.00 40.33 C +ATOM 313 C ILE A 45 -13.213 -13.231 12.974 1.00 41.01 C +ATOM 314 O ILE A 45 -13.686 -13.660 14.021 1.00 41.68 O +ATOM 315 CB ILE A 45 -14.831 -12.822 11.145 1.00 39.11 C +ATOM 316 CG1 ILE A 45 -15.615 -11.779 10.337 1.00 38.50 C +ATOM 317 CG2 ILE A 45 -15.787 -13.776 11.844 1.00 36.34 C +ATOM 318 CD1 ILE A 45 -16.508 -12.381 9.256 1.00 37.56 C +ATOM 319 N ASP A 46 -12.086 -13.692 12.437 1.00 41.15 N +ATOM 320 CA ASP A 46 -11.306 -14.735 13.082 1.00 42.34 C +ATOM 321 C ASP A 46 -10.869 -14.212 14.433 1.00 45.01 C +ATOM 322 O ASP A 46 -11.094 -14.843 15.467 1.00 44.79 O +ATOM 323 CB ASP A 46 -10.059 -15.068 12.260 1.00 41.58 C +ATOM 324 CG ASP A 46 -10.320 -16.097 11.177 1.00 41.04 C +ATOM 325 OD1 ASP A 46 -9.362 -16.453 10.458 1.00 41.60 O +ATOM 326 OD2 ASP A 46 -11.472 -16.554 11.038 1.00 41.08 O +ATOM 327 N ASP A 47 -10.245 -13.041 14.406 1.00 47.56 N +ATOM 328 CA ASP A 47 -9.747 -12.405 15.613 1.00 50.20 C +ATOM 329 C ASP A 47 -10.837 -11.799 16.505 1.00 51.28 C +ATOM 330 O ASP A 47 -10.534 -11.027 17.420 1.00 52.85 O +ATOM 331 CB ASP A 47 -8.715 -11.338 15.244 1.00 49.63 C +ATOM 332 CG ASP A 47 -7.622 -11.873 14.332 1.00 49.78 C +ATOM 333 OD1 ASP A 47 -7.376 -13.106 14.332 1.00 49.32 O +ATOM 334 OD2 ASP A 47 -7.001 -11.049 13.624 1.00 49.13 O +ATOM 335 N LEU A 48 -12.097 -12.144 16.232 1.00 51.94 N +ATOM 336 CA LEU A 48 -13.233 -11.673 17.032 1.00 52.23 C +ATOM 337 C LEU A 48 -13.908 -12.855 17.716 1.00 53.10 C +ATOM 338 O LEU A 48 -14.469 -12.715 18.804 1.00 53.59 O +ATOM 339 CB LEU A 48 -14.272 -10.947 16.172 1.00 49.87 C +ATOM 340 CG LEU A 48 -14.062 -9.450 15.931 1.00 49.87 C +ATOM 341 CD1 LEU A 48 -15.251 -8.907 15.166 1.00 48.43 C +ATOM 342 CD2 LEU A 48 -13.908 -8.712 17.253 1.00 48.05 C +ATOM 343 N GLU A 49 -13.844 -14.015 17.065 1.00 54.09 N +ATOM 344 CA GLU A 49 -14.443 -15.244 17.582 1.00 55.33 C +ATOM 345 C GLU A 49 -13.527 -15.945 18.583 1.00 56.10 C +ATOM 346 O GLU A 49 -12.352 -15.530 18.734 1.00 55.55 O +ATOM 347 CB GLU A 49 -14.744 -16.212 16.432 1.00 54.70 C +ATOM 348 CG GLU A 49 -15.673 -15.669 15.369 1.00 52.96 C +ATOM 349 CD GLU A 49 -15.541 -16.424 14.069 1.00 52.53 C +ATOM 350 OE1 GLU A 49 -14.442 -16.411 13.478 1.00 51.30 O +ATOM 351 OE2 GLU A 49 -16.532 -17.036 13.637 1.00 52.10 O +ATOM 353 N VAL B 9 -16.777 -19.812 -30.959 1.00 56.57 N +ATOM 354 CA VAL B 9 -15.379 -19.396 -30.975 1.00 57.67 C +ATOM 355 C VAL B 9 -14.721 -19.723 -32.311 1.00 58.03 C +ATOM 356 O VAL B 9 -14.357 -18.826 -33.071 1.00 57.25 O +ATOM 357 CB VAL B 9 -14.579 -20.064 -29.842 1.00 58.13 C +ATOM 358 CG1 VAL B 9 -13.092 -20.050 -30.164 1.00 58.36 C +ATOM 359 CG2 VAL B 9 -14.851 -19.366 -28.518 1.00 57.82 C +ATOM 360 N GLN B 10 -14.572 -21.014 -32.591 1.00 58.01 N +ATOM 361 CA GLN B 10 -14.285 -21.477 -33.943 1.00 57.69 C +ATOM 362 C GLN B 10 -15.550 -21.508 -34.795 1.00 57.41 C +ATOM 363 O GLN B 10 -15.500 -21.296 -36.006 1.00 57.57 O +ATOM 364 CB GLN B 10 -13.640 -22.863 -33.910 1.00 58.98 C +ATOM 365 CG GLN B 10 -14.634 -24.012 -33.944 1.00 59.77 C +ATOM 366 CD GLN B 10 -14.008 -25.336 -33.552 1.00 60.31 C +ATOM 367 OE1 GLN B 10 -14.632 -26.391 -33.673 1.00 60.66 O +ATOM 368 NE2 GLN B 10 -12.768 -25.288 -33.080 1.00 61.17 N +ATOM 369 N ASP B 11 -16.683 -21.774 -34.153 1.00 57.15 N +ATOM 370 CA ASP B 11 -17.977 -21.706 -34.822 1.00 56.90 C +ATOM 371 C ASP B 11 -18.240 -20.307 -35.371 1.00 54.94 C +ATOM 372 O ASP B 11 -19.020 -20.135 -36.308 1.00 54.68 O +ATOM 373 CB ASP B 11 -19.097 -22.114 -33.864 1.00 57.73 C +ATOM 374 CG ASP B 11 -18.660 -23.176 -32.874 1.00 58.65 C +ATOM 375 OD1 ASP B 11 -17.914 -22.839 -31.930 1.00 58.00 O +ATOM 376 OD2 ASP B 11 -19.061 -24.347 -33.040 1.00 60.24 O +ATOM 377 N LEU B 12 -17.585 -19.313 -34.782 1.00 53.27 N +ATOM 378 CA LEU B 12 -17.490 -17.991 -35.391 1.00 52.24 C +ATOM 379 C LEU B 12 -16.717 -18.043 -36.704 1.00 52.40 C +ATOM 380 O LEU B 12 -17.218 -17.624 -37.748 1.00 52.36 O +ATOM 381 CB LEU B 12 -16.827 -17.004 -34.428 1.00 50.66 C +ATOM 382 CG LEU B 12 -17.471 -15.620 -34.326 1.00 49.12 C +ATOM 383 CD1 LEU B 12 -16.506 -14.622 -33.706 1.00 47.06 C +ATOM 384 CD2 LEU B 12 -17.937 -15.142 -35.693 1.00 48.03 C +ATOM 385 N THR B 13 -15.494 -18.559 -36.645 1.00 53.58 N +ATOM 386 CA THR B 13 -14.585 -18.512 -37.788 1.00 55.27 C +ATOM 387 C THR B 13 -15.151 -19.198 -39.014 1.00 54.85 C +ATOM 388 O THR B 13 -14.815 -18.839 -40.142 1.00 55.75 O +ATOM 389 CB THR B 13 -13.221 -19.167 -37.490 1.00 56.21 C +ATOM 390 OG1 THR B 13 -12.319 -18.870 -38.566 1.00 57.24 O +ATOM 391 CG2 THR B 13 -13.354 -20.681 -37.369 1.00 56.74 C +ATOM 392 N SER B 14 -16.003 -20.192 -38.797 1.00 54.01 N +ATOM 393 CA SER B 14 -16.595 -20.907 -39.914 1.00 53.16 C +ATOM 394 C SER B 14 -17.821 -20.168 -40.443 1.00 52.50 C +ATOM 395 O SER B 14 -18.015 -20.086 -41.649 1.00 52.76 O +ATOM 396 CB SER B 14 -16.955 -22.338 -39.495 1.00 53.13 C +ATOM 397 OG SER B 14 -15.792 -23.063 -39.120 1.00 51.49 O +ATOM 398 N VAL B 15 -18.638 -19.620 -39.546 1.00 51.18 N +ATOM 399 CA VAL B 15 -19.828 -18.884 -39.964 1.00 50.62 C +ATOM 400 C VAL B 15 -19.441 -17.651 -40.777 1.00 50.84 C +ATOM 401 O VAL B 15 -20.261 -17.088 -41.505 1.00 52.51 O +ATOM 402 CB VAL B 15 -20.679 -18.442 -38.755 1.00 50.19 C +ATOM 403 CG1 VAL B 15 -21.893 -17.657 -39.225 1.00 50.19 C +ATOM 404 CG2 VAL B 15 -21.130 -19.656 -37.974 1.00 50.89 C +ATOM 405 N VAL B 16 -18.191 -17.224 -40.644 1.00 49.84 N +ATOM 406 CA VAL B 16 -17.697 -16.076 -41.397 1.00 48.53 C +ATOM 407 C VAL B 16 -17.144 -16.638 -42.698 1.00 48.44 C +ATOM 408 O VAL B 16 -17.348 -16.092 -43.785 1.00 48.51 O +ATOM 409 CB VAL B 16 -16.557 -15.370 -40.657 1.00 47.52 C +ATOM 410 CG1 VAL B 16 -15.986 -14.266 -41.525 1.00 46.47 C +ATOM 411 CG2 VAL B 16 -17.062 -14.820 -39.339 1.00 47.95 C +ATOM 412 N GLN B 17 -16.448 -17.757 -42.551 1.00 47.80 N +ATOM 413 CA GLN B 17 -15.828 -18.474 -43.648 1.00 47.73 C +ATOM 414 C GLN B 17 -16.880 -18.903 -44.678 1.00 47.86 C +ATOM 415 O GLN B 17 -16.619 -18.914 -45.879 1.00 48.63 O +ATOM 416 CB GLN B 17 -15.126 -19.694 -43.070 1.00 48.54 C +ATOM 417 CG GLN B 17 -13.963 -20.212 -43.860 1.00 48.97 C +ATOM 418 CD GLN B 17 -13.264 -21.330 -43.123 1.00 49.51 C +ATOM 419 OE1 GLN B 17 -13.879 -22.340 -42.784 1.00 50.22 O +ATOM 420 NE2 GLN B 17 -11.975 -21.155 -42.864 1.00 49.67 N +ATOM 421 N THR B 18 -18.066 -19.254 -44.190 1.00 47.42 N +ATOM 422 CA THR B 18 -19.178 -19.686 -45.038 1.00 46.45 C +ATOM 423 C THR B 18 -19.827 -18.476 -45.722 1.00 45.50 C +ATOM 424 O THR B 18 -19.871 -18.399 -46.946 1.00 45.96 O +ATOM 425 CB THR B 18 -20.260 -20.448 -44.203 1.00 46.94 C +ATOM 426 OG1 THR B 18 -19.655 -21.559 -43.524 1.00 47.88 O +ATOM 427 CG2 THR B 18 -21.379 -20.974 -45.103 1.00 47.12 C +ATOM 428 N LEU B 19 -20.324 -17.532 -44.931 1.00 44.11 N +ATOM 429 CA LEU B 19 -20.960 -16.347 -45.489 1.00 42.87 C +ATOM 430 C LEU B 19 -20.107 -15.747 -46.600 1.00 42.66 C +ATOM 431 O LEU B 19 -20.629 -15.247 -47.595 1.00 41.91 O +ATOM 432 CB LEU B 19 -21.185 -15.288 -44.400 1.00 42.76 C +ATOM 433 CG LEU B 19 -22.276 -15.471 -43.340 1.00 41.77 C +ATOM 434 CD1 LEU B 19 -22.246 -14.292 -42.375 1.00 41.22 C +ATOM 435 CD2 LEU B 19 -23.636 -15.564 -44.003 1.00 41.56 C +ATOM 436 N LEU B 20 -18.793 -15.791 -46.427 1.00 42.44 N +ATOM 437 CA LEU B 20 -17.907 -15.228 -47.430 1.00 43.38 C +ATOM 438 C LEU B 20 -17.713 -16.163 -48.620 1.00 45.38 C +ATOM 439 O LEU B 20 -17.636 -15.712 -49.768 1.00 43.16 O +ATOM 440 CB LEU B 20 -16.555 -14.871 -46.801 1.00 43.00 C +ATOM 441 CG LEU B 20 -16.515 -13.668 -45.843 1.00 40.55 C +ATOM 442 CD1 LEU B 20 -15.118 -13.520 -45.289 1.00 39.61 C +ATOM 443 CD2 LEU B 20 -16.925 -12.395 -46.564 1.00 40.46 C +ATOM 444 N GLN B 21 -17.654 -17.465 -48.347 1.00 48.00 N +ATOM 445 CA GLN B 21 -17.470 -18.462 -49.402 1.00 50.24 C +ATOM 446 C GLN B 21 -18.690 -18.647 -50.288 1.00 49.90 C +ATOM 447 O GLN B 21 -18.608 -19.262 -51.347 1.00 49.80 O +ATOM 448 CB GLN B 21 -17.072 -19.810 -48.805 1.00 51.68 C +ATOM 449 CG GLN B 21 -15.656 -20.222 -49.185 1.00 56.25 C +ATOM 450 CD GLN B 21 -15.205 -21.484 -48.478 1.00 59.21 C +ATOM 451 OE1 GLN B 21 -14.049 -21.906 -48.604 1.00 59.44 O +ATOM 452 NE2 GLN B 21 -16.118 -22.097 -47.724 1.00 60.57 N +ATOM 453 N GLN B 22 -19.824 -18.118 -49.848 1.00 49.83 N +ATOM 454 CA GLN B 22 -21.049 -18.218 -50.621 1.00 49.80 C +ATOM 455 C GLN B 22 -21.078 -17.006 -51.529 1.00 49.66 C +ATOM 456 O GLN B 22 -21.396 -17.117 -52.710 1.00 49.90 O +ATOM 457 CB GLN B 22 -22.270 -18.209 -49.698 1.00 49.30 C +ATOM 458 CG GLN B 22 -22.167 -19.207 -48.557 1.00 50.15 C +ATOM 459 CD GLN B 22 -23.425 -19.278 -47.717 1.00 50.09 C +ATOM 460 OE1 GLN B 22 -24.035 -18.253 -47.395 1.00 49.34 O +ATOM 461 NE2 GLN B 22 -23.814 -20.495 -47.342 1.00 51.26 N +ATOM 462 N MET B 23 -20.727 -15.851 -50.968 1.00 49.94 N +ATOM 463 CA MET B 23 -20.701 -14.600 -51.718 1.00 50.12 C +ATOM 464 C MET B 23 -19.708 -14.685 -52.884 1.00 49.80 C +ATOM 465 O MET B 23 -19.928 -14.087 -53.937 1.00 49.53 O +ATOM 466 CB MET B 23 -20.335 -13.434 -50.786 1.00 52.54 C +ATOM 467 CG MET B 23 -20.243 -12.070 -51.477 1.00 56.13 C +ATOM 468 SD MET B 23 -19.988 -10.656 -50.354 1.00 61.11 S +ATOM 469 CE MET B 23 -20.623 -9.285 -51.344 1.00 59.07 C +ATOM 470 N GLN B 24 -18.622 -15.433 -52.710 1.00 48.46 N +ATOM 471 CA GLN B 24 -17.655 -15.556 -53.783 1.00 47.44 C +ATOM 472 C GLN B 24 -18.062 -16.606 -54.811 1.00 46.09 C +ATOM 473 O GLN B 24 -17.663 -16.520 -55.967 1.00 45.30 O +ATOM 474 CB GLN B 24 -16.280 -15.901 -53.243 1.00 49.22 C +ATOM 475 CG GLN B 24 -15.222 -15.863 -54.329 1.00 53.28 C +ATOM 476 CD GLN B 24 -13.929 -16.517 -53.906 1.00 55.87 C +ATOM 477 OE1 GLN B 24 -13.894 -17.711 -53.610 1.00 57.92 O +ATOM 478 NE2 GLN B 24 -12.854 -15.740 -53.874 1.00 58.83 N +ATOM 479 N ASP B 25 -18.839 -17.602 -54.391 1.00 45.69 N +ATOM 480 CA ASP B 25 -19.303 -18.647 -55.308 1.00 46.59 C +ATOM 481 C ASP B 25 -20.292 -18.038 -56.291 1.00 45.93 C +ATOM 482 O ASP B 25 -20.313 -18.384 -57.478 1.00 44.65 O +ATOM 483 CB ASP B 25 -20.001 -19.781 -54.553 1.00 48.62 C +ATOM 484 CG ASP B 25 -19.026 -20.701 -53.848 1.00 49.97 C +ATOM 485 OD1 ASP B 25 -17.995 -21.046 -54.470 1.00 50.63 O +ATOM 486 OD2 ASP B 25 -19.304 -21.086 -52.685 1.00 50.28 O +ATOM 487 N LYS B 26 -21.121 -17.139 -55.771 1.00 45.09 N +ATOM 488 CA LYS B 26 -22.110 -16.437 -56.573 1.00 45.45 C +ATOM 489 C LYS B 26 -21.332 -15.603 -57.593 1.00 44.48 C +ATOM 490 O LYS B 26 -21.693 -15.523 -58.765 1.00 44.04 O +ATOM 491 CB LYS B 26 -22.962 -15.539 -55.673 1.00 45.30 C +ATOM 492 CG LYS B 26 -24.105 -14.864 -56.382 1.00 47.80 C +ATOM 493 CD LYS B 26 -24.915 -14.025 -55.426 1.00 51.41 C +ATOM 494 CE LYS B 26 -26.002 -13.266 -56.171 1.00 53.34 C +ATOM 495 NZ LYS B 26 -25.408 -12.381 -57.216 1.00 54.48 N +ATOM 496 N PHE B 27 -20.256 -14.988 -57.124 1.00 44.49 N +ATOM 497 CA PHE B 27 -19.376 -14.182 -57.957 1.00 45.52 C +ATOM 498 C PHE B 27 -18.833 -15.044 -59.105 1.00 45.47 C +ATOM 499 O PHE B 27 -18.918 -14.670 -60.281 1.00 43.66 O +ATOM 500 CB PHE B 27 -18.224 -13.665 -57.086 1.00 49.00 C +ATOM 501 CG PHE B 27 -17.024 -13.185 -57.858 1.00 51.45 C +ATOM 502 CD1 PHE B 27 -15.739 -13.497 -57.417 1.00 52.37 C +ATOM 503 CD2 PHE B 27 -17.171 -12.409 -59.005 1.00 52.46 C +ATOM 504 CE1 PHE B 27 -14.619 -13.042 -58.104 1.00 52.98 C +ATOM 505 CE2 PHE B 27 -16.056 -11.948 -59.701 1.00 53.26 C +ATOM 506 CZ PHE B 27 -14.778 -12.266 -59.251 1.00 53.18 C +ATOM 507 N GLN B 28 -18.270 -16.196 -58.744 1.00 45.30 N +ATOM 508 CA GLN B 28 -17.707 -17.131 -59.711 1.00 45.09 C +ATOM 509 C GLN B 28 -18.753 -17.552 -60.725 1.00 44.41 C +ATOM 510 O GLN B 28 -18.499 -17.562 -61.928 1.00 43.46 O +ATOM 511 CB GLN B 28 -17.179 -18.378 -59.000 1.00 46.36 C +ATOM 512 CG GLN B 28 -15.927 -18.141 -58.178 1.00 48.33 C +ATOM 513 CD GLN B 28 -14.817 -17.508 -58.987 1.00 48.32 C +ATOM 514 OE1 GLN B 28 -14.488 -17.970 -60.082 1.00 48.95 O +ATOM 515 NE2 GLN B 28 -14.227 -16.444 -58.450 1.00 49.74 N +ATOM 516 N THR B 29 -19.927 -17.910 -60.215 1.00 44.40 N +ATOM 517 CA THR B 29 -21.051 -18.339 -61.040 1.00 43.69 C +ATOM 518 C THR B 29 -21.345 -17.374 -62.191 1.00 42.51 C +ATOM 519 O THR B 29 -21.442 -17.787 -63.349 1.00 40.88 O +ATOM 520 CB THR B 29 -22.320 -18.497 -60.174 1.00 44.87 C +ATOM 521 OG1 THR B 29 -22.124 -19.568 -59.241 1.00 45.11 O +ATOM 522 CG2 THR B 29 -23.543 -18.781 -61.045 1.00 44.56 C +ATOM 523 N ILE B 30 -21.493 -16.093 -61.868 1.00 41.40 N +ATOM 524 CA ILE B 30 -21.767 -15.092 -62.888 1.00 41.32 C +ATOM 525 C ILE B 30 -20.546 -14.942 -63.790 1.00 40.25 C +ATOM 526 O ILE B 30 -20.673 -14.834 -65.004 1.00 39.69 O +ATOM 527 CB ILE B 30 -22.117 -13.717 -62.249 1.00 43.17 C +ATOM 528 CG1 ILE B 30 -23.379 -13.855 -61.386 1.00 43.22 C +ATOM 529 CG2 ILE B 30 -22.318 -12.655 -63.340 1.00 41.40 C +ATOM 530 CD1 ILE B 30 -23.850 -12.556 -60.749 1.00 42.86 C +ATOM 531 N SER B 31 -19.363 -14.949 -63.193 1.00 38.58 N +ATOM 532 CA SER B 31 -18.139 -14.805 -63.960 1.00 39.65 C +ATOM 533 C SER B 31 -17.970 -15.949 -64.948 1.00 40.38 C +ATOM 534 O SER B 31 -17.910 -15.723 -66.156 1.00 40.16 O +ATOM 535 CB SER B 31 -16.935 -14.751 -63.025 1.00 40.17 C +ATOM 536 OG SER B 31 -17.062 -13.679 -62.109 1.00 44.24 O +ATOM 537 N ASP B 32 -17.885 -17.175 -64.434 1.00 39.97 N +ATOM 538 CA ASP B 32 -17.724 -18.354 -65.279 1.00 40.01 C +ATOM 539 C ASP B 32 -18.771 -18.354 -66.388 1.00 39.15 C +ATOM 540 O ASP B 32 -18.539 -18.829 -67.499 1.00 37.90 O +ATOM 541 CB ASP B 32 -17.858 -19.632 -64.439 1.00 42.86 C +ATOM 542 CG ASP B 32 -16.654 -19.870 -63.535 1.00 46.65 C +ATOM 543 OD1 ASP B 32 -15.519 -19.865 -64.050 1.00 48.78 O +ATOM 544 OD2 ASP B 32 -16.833 -20.069 -62.312 1.00 50.13 O +ATOM 545 N GLN B 33 -19.927 -17.798 -66.068 1.00 38.54 N +ATOM 546 CA GLN B 33 -21.032 -17.721 -66.996 1.00 37.39 C +ATOM 547 C GLN B 33 -20.670 -16.758 -68.121 1.00 36.44 C +ATOM 548 O GLN B 33 -20.931 -17.018 -69.294 1.00 36.26 O +ATOM 549 CB GLN B 33 -22.242 -17.211 -66.240 1.00 38.39 C +ATOM 550 CG GLN B 33 -23.563 -17.408 -66.917 1.00 43.94 C +ATOM 551 CD GLN B 33 -24.661 -16.672 -66.181 1.00 46.91 C +ATOM 552 OE1 GLN B 33 -24.788 -15.443 -66.296 1.00 48.75 O +ATOM 553 NE2 GLN B 33 -25.446 -17.410 -65.395 1.00 45.77 N +ATOM 554 N ILE B 34 -20.065 -15.642 -67.731 1.00 35.18 N +ATOM 555 CA ILE B 34 -19.644 -14.581 -68.638 1.00 32.23 C +ATOM 556 C ILE B 34 -18.484 -14.998 -69.534 1.00 31.60 C +ATOM 557 O ILE B 34 -18.539 -14.828 -70.750 1.00 31.61 O +ATOM 558 CB ILE B 34 -19.245 -13.321 -67.819 1.00 33.24 C +ATOM 559 CG1 ILE B 34 -20.508 -12.655 -67.251 1.00 32.91 C +ATOM 560 CG2 ILE B 34 -18.436 -12.356 -68.675 1.00 33.60 C +ATOM 561 CD1 ILE B 34 -20.243 -11.462 -66.333 1.00 33.52 C +ATOM 562 N ILE B 35 -17.431 -15.534 -68.926 1.00 31.08 N +ATOM 563 CA ILE B 35 -16.249 -15.972 -69.664 1.00 31.17 C +ATOM 564 C ILE B 35 -16.619 -17.012 -70.723 1.00 30.82 C +ATOM 565 O ILE B 35 -16.025 -17.056 -71.803 1.00 30.12 O +ATOM 566 CB ILE B 35 -15.180 -16.566 -68.697 1.00 33.16 C +ATOM 567 CG1 ILE B 35 -14.748 -15.502 -67.679 1.00 33.52 C +ATOM 568 CG2 ILE B 35 -13.971 -17.059 -69.484 1.00 34.35 C +ATOM 569 CD1 ILE B 35 -13.684 -15.958 -66.704 1.00 35.37 C +ATOM 570 N GLY B 36 -17.604 -17.847 -70.405 1.00 30.14 N +ATOM 571 CA GLY B 36 -18.045 -18.855 -71.346 1.00 28.66 C +ATOM 572 C GLY B 36 -18.638 -18.184 -72.566 1.00 28.32 C +ATOM 573 O GLY B 36 -18.385 -18.609 -73.684 1.00 28.36 O +ATOM 574 N ARG B 37 -19.423 -17.129 -72.353 1.00 28.43 N +ATOM 575 CA ARG B 37 -20.052 -16.394 -73.454 1.00 27.99 C +ATOM 576 C ARG B 37 -19.009 -15.695 -74.329 1.00 27.69 C +ATOM 577 O ARG B 37 -19.096 -15.721 -75.554 1.00 26.28 O +ATOM 578 CB ARG B 37 -21.051 -15.363 -72.915 1.00 26.97 C +ATOM 579 CG ARG B 37 -22.296 -15.970 -72.269 1.00 25.73 C +ATOM 580 CD ARG B 37 -23.320 -14.902 -71.916 1.00 25.48 C +ATOM 581 NE ARG B 37 -23.888 -14.290 -73.113 1.00 29.09 N +ATOM 582 CZ ARG B 37 -24.653 -13.202 -73.116 1.00 29.50 C +ATOM 583 NH1 ARG B 37 -24.953 -12.587 -71.982 1.00 31.70 N +ATOM 584 NH2 ARG B 37 -25.115 -12.718 -74.262 1.00 31.01 N +ATOM 585 N ILE B 38 -18.023 -15.078 -73.688 1.00 26.52 N +ATOM 586 CA ILE B 38 -16.946 -14.394 -74.393 1.00 24.91 C +ATOM 587 C ILE B 38 -16.150 -15.410 -75.193 1.00 24.71 C +ATOM 588 O ILE B 38 -15.737 -15.158 -76.317 1.00 23.23 O +ATOM 589 CB ILE B 38 -15.999 -13.707 -73.397 1.00 26.13 C +ATOM 590 CG1 ILE B 38 -16.802 -12.769 -72.493 1.00 25.86 C +ATOM 591 CG2 ILE B 38 -14.930 -12.931 -74.140 1.00 26.38 C +ATOM 592 CD1 ILE B 38 -16.000 -12.173 -71.379 1.00 24.18 C +ATOM 593 N ASP B 39 -15.932 -16.577 -74.605 1.00 27.40 N +ATOM 594 CA ASP B 39 -15.178 -17.605 -75.298 1.00 28.81 C +ATOM 595 C ASP B 39 -15.886 -18.048 -76.564 1.00 29.15 C +ATOM 596 O ASP B 39 -15.240 -18.336 -77.566 1.00 28.23 O +ATOM 597 CB ASP B 39 -14.932 -18.809 -74.380 1.00 30.29 C +ATOM 598 CG ASP B 39 -13.927 -18.501 -73.276 1.00 31.98 C +ATOM 599 OD1 ASP B 39 -12.883 -17.895 -73.588 1.00 32.81 O +ATOM 600 OD2 ASP B 39 -14.170 -18.866 -72.106 1.00 33.35 O +ATOM 601 N ASP B 40 -17.214 -18.100 -76.530 1.00 29.33 N +ATOM 602 CA ASP B 40 -17.949 -18.514 -77.715 1.00 30.09 C +ATOM 603 C ASP B 40 -17.977 -17.382 -78.733 1.00 29.21 C +ATOM 604 O ASP B 40 -17.945 -17.628 -79.943 1.00 28.64 O +ATOM 605 CB ASP B 40 -19.375 -18.914 -77.364 1.00 32.98 C +ATOM 606 CG ASP B 40 -20.075 -19.598 -78.514 1.00 35.24 C +ATOM 607 OD1 ASP B 40 -21.309 -19.767 -78.443 1.00 39.99 O +ATOM 608 OD2 ASP B 40 -19.389 -19.973 -79.490 1.00 38.36 O +ATOM 609 N MET B 41 -18.041 -16.145 -78.234 1.00 28.40 N +ATOM 610 CA MET B 41 -18.041 -14.955 -79.089 1.00 28.28 C +ATOM 611 C MET B 41 -16.693 -14.833 -79.803 1.00 28.08 C +ATOM 612 O MET B 41 -16.632 -14.523 -80.991 1.00 27.57 O +ATOM 613 CB MET B 41 -18.274 -13.691 -78.257 1.00 30.65 C +ATOM 614 CG MET B 41 -19.651 -13.569 -77.636 1.00 33.21 C +ATOM 615 SD MET B 41 -19.787 -12.077 -76.637 1.00 38.20 S +ATOM 616 CE MET B 41 -19.781 -10.787 -77.898 1.00 35.32 C +ATOM 617 N SER B 42 -15.607 -15.069 -79.075 1.00 27.33 N +ATOM 618 CA SER B 42 -14.287 -14.992 -79.685 1.00 27.29 C +ATOM 619 C SER B 42 -14.217 -16.016 -80.806 1.00 26.61 C +ATOM 620 O SER B 42 -13.657 -15.751 -81.872 1.00 26.57 O +ATOM 621 CB SER B 42 -13.215 -15.287 -78.650 1.00 28.52 C +ATOM 622 OG SER B 42 -13.332 -14.384 -77.569 1.00 35.14 O +ATOM 623 N SER B 43 -14.800 -17.184 -80.557 1.00 25.62 N +ATOM 624 CA SER B 43 -14.818 -18.259 -81.534 1.00 26.66 C +ATOM 625 C SER B 43 -15.446 -17.773 -82.834 1.00 26.96 C +ATOM 626 O SER B 43 -14.889 -17.960 -83.917 1.00 25.94 O +ATOM 627 CB SER B 43 -15.612 -19.446 -80.993 1.00 27.61 C +ATOM 628 OG SER B 43 -15.521 -20.552 -81.872 1.00 31.85 O +ATOM 629 N ARG B 44 -16.613 -17.151 -82.715 1.00 25.45 N +ATOM 630 CA ARG B 44 -17.329 -16.631 -83.872 1.00 23.37 C +ATOM 631 C ARG B 44 -16.533 -15.521 -84.559 1.00 22.85 C +ATOM 632 O ARG B 44 -16.441 -15.480 -85.786 1.00 24.49 O +ATOM 633 CB ARG B 44 -18.692 -16.099 -83.434 1.00 22.16 C +ATOM 634 CG ARG B 44 -19.503 -17.098 -82.640 1.00 25.31 C +ATOM 635 CD ARG B 44 -20.745 -16.457 -82.009 1.00 26.91 C +ATOM 636 NE ARG B 44 -21.734 -16.031 -82.997 1.00 28.65 N +ATOM 637 CZ ARG B 44 -22.872 -15.407 -82.693 1.00 30.77 C +ATOM 638 NH1 ARG B 44 -23.164 -15.132 -81.425 1.00 30.83 N +ATOM 639 NH2 ARG B 44 -23.723 -15.060 -83.651 1.00 28.34 N +ATOM 640 N ILE B 45 -15.955 -14.615 -83.779 1.00 21.87 N +ATOM 641 CA ILE B 45 -15.174 -13.539 -84.372 1.00 22.61 C +ATOM 642 C ILE B 45 -14.004 -14.116 -85.173 1.00 22.22 C +ATOM 643 O ILE B 45 -13.688 -13.632 -86.262 1.00 22.24 O +ATOM 644 CB ILE B 45 -14.617 -12.586 -83.311 1.00 21.78 C +ATOM 645 CG1 ILE B 45 -15.758 -12.017 -82.459 1.00 22.93 C +ATOM 646 CG2 ILE B 45 -13.844 -11.463 -84.001 1.00 22.95 C +ATOM 647 CD1 ILE B 45 -15.305 -11.155 -81.283 1.00 20.09 C +ATOM 648 N ASP B 46 -13.358 -15.145 -84.628 1.00 22.90 N +ATOM 649 CA ASP B 46 -12.244 -15.775 -85.325 1.00 24.22 C +ATOM 650 C ASP B 46 -12.707 -16.212 -86.716 1.00 24.54 C +ATOM 651 O ASP B 46 -12.069 -15.915 -87.725 1.00 24.49 O +ATOM 652 CB ASP B 46 -11.744 -17.012 -84.565 1.00 25.52 C +ATOM 653 CG ASP B 46 -10.925 -16.669 -83.326 1.00 26.54 C +ATOM 654 OD1 ASP B 46 -10.460 -15.519 -83.190 1.00 28.33 O +ATOM 655 OD2 ASP B 46 -10.729 -17.580 -82.491 1.00 27.26 O +ATOM 656 N ASP B 47 -13.830 -16.919 -86.759 1.00 26.27 N +ATOM 657 CA ASP B 47 -14.375 -17.418 -88.012 1.00 28.21 C +ATOM 658 C ASP B 47 -14.778 -16.305 -88.975 1.00 28.28 C +ATOM 659 O ASP B 47 -14.611 -16.438 -90.190 1.00 27.99 O +ATOM 660 CB ASP B 47 -15.565 -18.339 -87.729 1.00 30.35 C +ATOM 661 CG ASP B 47 -15.146 -19.635 -87.066 1.00 32.81 C +ATOM 662 OD1 ASP B 47 -16.035 -20.448 -86.730 1.00 34.83 O +ATOM 663 OD2 ASP B 47 -13.923 -19.840 -86.883 1.00 36.38 O +ATOM 664 N LEU B 48 -15.324 -15.220 -88.434 1.00 27.56 N +ATOM 665 CA LEU B 48 -15.718 -14.087 -89.260 1.00 27.11 C +ATOM 666 C LEU B 48 -14.477 -13.492 -89.921 1.00 27.67 C +ATOM 667 O LEU B 48 -14.479 -13.220 -91.118 1.00 27.30 O +ATOM 668 CB LEU B 48 -16.413 -13.014 -88.413 1.00 27.06 C +ATOM 669 CG LEU B 48 -17.897 -13.235 -88.107 1.00 26.02 C +ATOM 670 CD1 LEU B 48 -18.375 -12.232 -87.057 1.00 24.60 C +ATOM 671 CD2 LEU B 48 -18.695 -13.099 -89.406 1.00 25.23 C +ATOM 672 N GLU B 49 -13.416 -13.298 -89.141 1.00 27.40 N +ATOM 673 CA GLU B 49 -12.184 -12.727 -89.676 1.00 28.79 C +ATOM 674 C GLU B 49 -11.560 -13.668 -90.682 1.00 29.72 C +ATOM 675 O GLU B 49 -10.969 -13.227 -91.664 1.00 27.54 O +ATOM 676 CB GLU B 49 -11.179 -12.466 -88.563 1.00 29.53 C +ATOM 677 CG GLU B 49 -11.734 -11.638 -87.429 1.00 31.71 C +ATOM 678 CD GLU B 49 -10.723 -11.444 -86.317 1.00 32.53 C +ATOM 679 OE1 GLU B 49 -10.027 -12.430 -85.972 1.00 27.65 O +ATOM 680 OE2 GLU B 49 -10.633 -10.310 -85.788 1.00 29.57 O +ATOM 681 N LYS B 50 -11.687 -14.969 -90.422 1.00 31.48 N +ATOM 682 CA LYS B 50 -11.141 -15.985 -91.314 1.00 32.65 C +ATOM 683 C LYS B 50 -11.868 -15.994 -92.648 1.00 33.70 C +ATOM 684 O LYS B 50 -11.246 -16.095 -93.704 1.00 31.98 O +ATOM 685 CB LYS B 50 -11.252 -17.368 -90.681 1.00 34.41 C +ATOM 686 CG LYS B 50 -10.340 -17.607 -89.490 1.00 35.76 C +ATOM 687 CD LYS B 50 -10.488 -19.040 -89.039 1.00 35.96 C +ATOM 688 CE LYS B 50 -9.468 -19.411 -88.002 1.00 37.05 C +ATOM 689 NZ LYS B 50 -9.382 -20.892 -87.909 1.00 38.06 N +ATOM 690 N ASN B 51 -13.189 -15.888 -92.591 1.00 35.08 N +ATOM 691 CA ASN B 51 -14.000 -15.878 -93.790 1.00 38.07 C +ATOM 692 C ASN B 51 -13.761 -14.682 -94.711 1.00 39.68 C +ATOM 693 O ASN B 51 -13.492 -14.864 -95.901 1.00 39.94 O +ATOM 694 CB ASN B 51 -15.480 -15.938 -93.424 1.00 40.01 C +ATOM 695 CG ASN B 51 -16.193 -17.090 -94.104 1.00 44.04 C +ATOM 696 OD1 ASN B 51 -17.295 -16.930 -94.666 1.00 46.16 O +ATOM 697 ND2 ASN B 51 -15.574 -18.277 -94.053 1.00 46.20 N +ATOM 698 N ILE B 52 -13.864 -13.464 -94.193 1.00 41.06 N +ATOM 699 CA ILE B 52 -13.649 -12.322 -95.064 1.00 43.57 C +ATOM 700 C ILE B 52 -12.247 -12.386 -95.642 1.00 45.31 C +ATOM 701 O ILE B 52 -12.047 -12.039 -96.801 1.00 46.47 O +ATOM 702 CB ILE B 52 -13.834 -10.963 -94.339 1.00 43.70 C +ATOM 703 CG1 ILE B 52 -12.707 -10.731 -93.337 1.00 45.26 C +ATOM 704 CG2 ILE B 52 -15.173 -10.918 -93.641 1.00 44.32 C +ATOM 705 CD1 ILE B 52 -12.807 -9.414 -92.604 1.00 46.39 C +ATOM 706 N ALA B 53 -11.283 -12.840 -94.843 1.00 46.04 N +ATOM 707 CA ALA B 53 -9.913 -12.930 -95.316 1.00 46.12 C +ATOM 708 C ALA B 53 -9.811 -13.976 -96.414 1.00 47.35 C +ATOM 709 O ALA B 53 -10.667 -14.899 -96.433 1.00 47.71 O +ATOM 710 CB ALA B 53 -8.989 -13.275 -94.170 1.00 44.10 C +ATOM 711 OXT ALA B 53 -8.878 -13.851 -97.238 1.00 48.08 O Added: SwiftApps/modFTdock/input/indata/3eq5-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3eq5-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3eq5-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,796 @@ +ATOM 1 N SER A 135 3.430 -19.028 65.738 1.00 4.33 N +ATOM 2 CA SER A 135 2.008 -19.467 65.677 1.00 4.18 C +ATOM 3 C SER A 135 1.917 -20.928 65.242 1.00 4.15 C +ATOM 4 O SER A 135 2.875 -21.486 64.704 1.00 4.29 O +ATOM 5 CB SER A 135 1.231 -18.587 64.699 1.00 4.25 C +ATOM 6 OG SER A 135 1.695 -18.771 63.370 1.00 4.12 O +ATOM 7 N MET A 136 0.759 -21.538 65.472 1.00 3.93 N +ATOM 8 CA MET A 136 0.528 -22.928 65.082 1.00 3.77 C +ATOM 9 C MET A 136 -0.071 -22.969 63.678 1.00 3.56 C +ATOM 10 O MET A 136 -0.713 -22.014 63.257 1.00 3.39 O +ATOM 11 CB MET A 136 -0.417 -23.608 66.074 1.00 3.93 C +ATOM 12 CG MET A 136 0.019 -23.513 67.537 1.00 4.13 C +ATOM 13 SD MET A 136 1.449 -24.539 67.940 1.00 4.60 S +ATOM 14 CE MET A 136 0.723 -26.175 67.863 1.00 4.34 C +ATOM 15 N PRO A 137 0.147 -24.070 62.937 1.00 3.56 N +ATOM 16 CA PRO A 137 -0.443 -24.215 61.598 1.00 3.59 C +ATOM 17 C PRO A 137 -1.967 -24.098 61.581 1.00 3.61 C +ATOM 18 O PRO A 137 -2.532 -23.519 60.652 1.00 3.91 O +ATOM 19 CB PRO A 137 -0.024 -25.627 61.177 1.00 3.57 C +ATOM 20 CG PRO A 137 1.183 -25.916 61.949 1.00 3.33 C +ATOM 21 CD PRO A 137 1.070 -25.175 63.247 1.00 3.52 C +ATOM 22 N SER A 138 -2.617 -24.639 62.609 1.00 3.43 N +ATOM 23 CA SER A 138 -4.072 -24.576 62.730 1.00 3.21 C +ATOM 24 C SER A 138 -4.622 -23.168 62.999 1.00 3.21 C +ATOM 25 O SER A 138 -5.836 -22.964 62.925 1.00 3.15 O +ATOM 26 CB SER A 138 -4.550 -25.512 63.844 1.00 3.14 C +ATOM 27 OG SER A 138 -4.274 -26.862 63.528 1.00 3.18 O +ATOM 28 N ASP A 139 -3.754 -22.212 63.328 1.00 3.03 N +ATOM 29 CA ASP A 139 -4.193 -20.844 63.624 1.00 3.14 C +ATOM 30 C ASP A 139 -4.811 -20.123 62.425 1.00 3.12 C +ATOM 31 O ASP A 139 -5.593 -19.195 62.597 1.00 2.98 O +ATOM 32 CB ASP A 139 -3.038 -20.000 64.179 1.00 3.13 C +ATOM 33 CG ASP A 139 -2.663 -20.372 65.606 1.00 3.44 C +ATOM 34 OD1 ASP A 139 -1.811 -19.670 66.192 1.00 4.42 O +ATOM 35 OD2 ASP A 139 -3.206 -21.357 66.149 1.00 3.99 O +ATOM 36 N SER A 140 -4.449 -20.537 61.218 1.00 3.36 N +ATOM 37 CA SER A 140 -4.987 -19.923 60.012 1.00 3.53 C +ATOM 38 C SER A 140 -5.208 -20.938 58.903 1.00 3.45 C +ATOM 39 O SER A 140 -4.434 -21.890 58.744 1.00 3.54 O +ATOM 40 CB SER A 140 -4.054 -18.820 59.504 1.00 3.60 C +ATOM 41 OG SER A 140 -4.520 -18.308 58.264 1.00 3.99 O +ATOM 42 N SER A 141 -6.276 -20.712 58.144 1.00 3.35 N +ATOM 43 CA SER A 141 -6.570 -21.474 56.933 1.00 3.21 C +ATOM 44 C SER A 141 -6.465 -20.577 55.703 1.00 3.06 C +ATOM 45 O SER A 141 -6.897 -20.958 54.618 1.00 2.94 O +ATOM 46 CB SER A 141 -7.982 -22.060 57.015 1.00 3.21 C +ATOM 47 OG SER A 141 -8.961 -21.051 56.836 1.00 2.76 O +ATOM 48 N THR A 142 -5.906 -19.383 55.887 1.00 3.09 N +ATOM 49 CA THR A 142 -5.780 -18.404 54.814 1.00 3.26 C +ATOM 50 C THR A 142 -4.316 -18.022 54.562 1.00 3.49 C +ATOM 51 O THR A 142 -4.031 -17.052 53.858 1.00 3.73 O +ATOM 52 CB THR A 142 -6.627 -17.143 55.121 1.00 3.34 C +ATOM 53 OG1 THR A 142 -6.195 -16.554 56.354 1.00 3.12 O +ATOM 54 CG2 THR A 142 -8.125 -17.501 55.217 1.00 2.89 C +ATOM 55 N GLU A 143 -3.393 -18.790 55.134 1.00 3.63 N +ATOM 56 CA GLU A 143 -1.971 -18.608 54.877 1.00 3.81 C +ATOM 57 C GLU A 143 -1.551 -19.583 53.802 1.00 3.63 C +ATOM 58 O GLU A 143 -1.494 -20.787 54.041 1.00 3.60 O +ATOM 59 CB GLU A 143 -1.135 -18.820 56.146 1.00 3.97 C +ATOM 60 CG GLU A 143 -0.846 -17.527 56.887 1.00 4.84 C +ATOM 61 CD GLU A 143 -0.317 -17.744 58.289 1.00 5.89 C +ATOM 62 OE1 GLU A 143 -0.913 -17.181 59.240 1.00 6.75 O +ATOM 63 OE2 GLU A 143 0.687 -18.472 58.439 1.00 6.65 O +ATOM 64 N LEU A 144 -1.271 -19.053 52.614 1.00 3.67 N +ATOM 65 CA LEU A 144 -0.817 -19.869 51.500 1.00 3.50 C +ATOM 66 C LEU A 144 0.612 -20.256 51.748 1.00 3.45 C +ATOM 67 O LEU A 144 1.465 -19.391 51.941 1.00 3.72 O +ATOM 68 CB LEU A 144 -0.912 -19.123 50.167 1.00 3.34 C +ATOM 69 CG LEU A 144 -0.737 -20.025 48.940 1.00 3.06 C +ATOM 70 CD1 LEU A 144 -1.897 -21.001 48.821 1.00 3.14 C +ATOM 71 CD2 LEU A 144 -0.612 -19.195 47.680 1.00 3.03 C +ATOM 72 N THR A 145 0.857 -21.561 51.747 1.00 3.50 N +ATOM 73 CA ATHR A 145 2.212 -22.096 51.881 0.50 3.60 C +ATOM 74 CA BTHR A 145 2.196 -22.122 51.908 0.50 3.47 C +ATOM 75 C THR A 145 2.528 -22.935 50.651 1.00 3.52 C +ATOM 76 O THR A 145 1.672 -23.128 49.790 1.00 3.73 O +ATOM 77 CB ATHR A 145 2.367 -22.952 53.159 0.50 3.59 C +ATOM 78 CB BTHR A 145 2.249 -22.985 53.204 0.50 3.43 C +ATOM 79 OG1ATHR A 145 3.756 -23.127 53.453 0.50 3.97 O +ATOM 80 OG1BTHR A 145 2.628 -22.160 54.314 0.50 2.97 O +ATOM 81 CG2ATHR A 145 1.708 -24.316 52.992 0.50 3.64 C +ATOM 82 CG2BTHR A 145 3.222 -24.141 53.091 0.50 3.38 C +ATOM 83 N GLN A 146 3.764 -23.402 50.540 1.00 3.48 N +ATOM 84 CA GLN A 146 4.133 -24.279 49.441 1.00 3.41 C +ATOM 85 C GLN A 146 4.749 -25.567 49.971 1.00 3.19 C +ATOM 86 O GLN A 146 5.388 -25.565 51.017 1.00 3.16 O +ATOM 87 CB GLN A 146 5.065 -23.555 48.472 1.00 3.57 C +ATOM 88 CG GLN A 146 4.355 -22.428 47.721 1.00 3.63 C +ATOM 89 CD GLN A 146 5.213 -21.776 46.657 1.00 4.24 C +ATOM 90 OE1 GLN A 146 6.309 -22.244 46.345 1.00 4.02 O +ATOM 91 NE2 GLN A 146 4.710 -20.685 46.083 1.00 4.40 N +ATOM 92 N THR A 147 4.507 -26.667 49.263 1.00 3.03 N +ATOM 93 CA THR A 147 5.049 -27.973 49.635 1.00 3.07 C +ATOM 94 C THR A 147 5.381 -28.769 48.377 1.00 2.97 C +ATOM 95 O THR A 147 4.753 -28.572 47.338 1.00 2.91 O +ATOM 96 CB THR A 147 4.070 -28.764 50.535 1.00 3.05 C +ATOM 97 OG1 THR A 147 4.762 -29.841 51.174 1.00 3.00 O +ATOM 98 CG2 THR A 147 2.907 -29.320 49.734 1.00 3.33 C +ATOM 99 N VAL A 148 6.368 -29.657 48.474 1.00 2.87 N +ATOM 100 CA VAL A 148 6.847 -30.406 47.314 1.00 2.87 C +ATOM 101 C VAL A 148 6.057 -31.696 47.080 1.00 2.93 C +ATOM 102 O VAL A 148 5.816 -32.463 48.008 1.00 2.99 O +ATOM 103 CB VAL A 148 8.356 -30.754 47.430 1.00 2.89 C +ATOM 104 CG1 VAL A 148 8.828 -31.472 46.175 1.00 2.40 C +ATOM 105 CG2 VAL A 148 9.185 -29.499 47.663 1.00 2.50 C +ATOM 106 N LEU A 149 5.676 -31.924 45.824 1.00 3.03 N +ATOM 107 CA LEU A 149 4.980 -33.141 45.400 1.00 3.09 C +ATOM 108 C LEU A 149 5.499 -33.572 44.028 1.00 3.25 C +ATOM 109 O LEU A 149 5.280 -32.884 43.031 1.00 3.31 O +ATOM 110 CB LEU A 149 3.476 -32.882 45.327 1.00 3.01 C +ATOM 111 CG LEU A 149 2.559 -34.051 44.964 1.00 2.85 C +ATOM 112 CD1 LEU A 149 2.559 -35.109 46.055 1.00 2.46 C +ATOM 113 CD2 LEU A 149 1.148 -33.541 44.720 1.00 2.43 C +ATOM 114 N GLU A 150 6.187 -34.709 43.981 1.00 3.32 N +ATOM 115 CA GLU A 150 6.798 -35.210 42.743 1.00 3.45 C +ATOM 116 C GLU A 150 7.733 -34.166 42.115 1.00 3.49 C +ATOM 117 O GLU A 150 7.722 -33.957 40.901 1.00 3.45 O +ATOM 118 CB GLU A 150 5.722 -35.651 41.736 1.00 3.41 C +ATOM 119 CG GLU A 150 4.743 -36.698 42.264 1.00 3.55 C +ATOM 120 CD GLU A 150 5.413 -38.008 42.652 1.00 3.95 C +ATOM 121 OE1 GLU A 150 6.431 -38.379 42.026 1.00 4.23 O +ATOM 122 OE2 GLU A 150 4.918 -38.675 43.586 1.00 4.17 O +ATOM 123 N GLY A 151 8.533 -33.513 42.957 1.00 3.58 N +ATOM 124 CA GLY A 151 9.478 -32.484 42.510 1.00 3.65 C +ATOM 125 C GLY A 151 8.823 -31.183 42.067 1.00 3.71 C +ATOM 126 O GLY A 151 9.454 -30.353 41.418 1.00 3.82 O +ATOM 127 N GLU A 152 7.559 -31.003 42.429 1.00 3.74 N +ATOM 128 CA GLU A 152 6.789 -29.839 42.021 1.00 3.83 C +ATOM 129 C GLU A 152 6.379 -29.082 43.270 1.00 3.73 C +ATOM 130 O GLU A 152 5.937 -29.689 44.243 1.00 3.61 O +ATOM 131 CB GLU A 152 5.539 -30.281 41.267 1.00 3.96 C +ATOM 132 CG GLU A 152 5.090 -29.325 40.179 1.00 4.54 C +ATOM 133 CD GLU A 152 5.552 -29.756 38.809 1.00 5.52 C +ATOM 134 OE1 GLU A 152 6.095 -28.903 38.074 1.00 7.20 O +ATOM 135 OE2 GLU A 152 5.382 -30.951 38.468 1.00 5.54 O +ATOM 136 N SER A 153 6.521 -27.762 43.241 1.00 3.64 N +ATOM 137 CA SER A 153 6.193 -26.930 44.392 1.00 3.71 C +ATOM 138 C SER A 153 4.724 -26.485 44.318 1.00 3.63 C +ATOM 139 O SER A 153 4.396 -25.542 43.600 1.00 3.55 O +ATOM 140 CB SER A 153 7.139 -25.730 44.449 1.00 3.73 C +ATOM 141 OG SER A 153 6.877 -24.922 45.580 1.00 4.34 O +ATOM 142 N ILE A 154 3.855 -27.179 45.057 1.00 3.56 N +ATOM 143 CA ILE A 154 2.402 -26.946 45.023 1.00 3.57 C +ATOM 144 C ILE A 154 1.949 -26.040 46.173 1.00 3.60 C +ATOM 145 O ILE A 154 2.362 -26.226 47.315 1.00 3.64 O +ATOM 146 CB ILE A 154 1.617 -28.279 45.145 1.00 3.58 C +ATOM 147 CG1 ILE A 154 2.026 -29.270 44.055 1.00 3.60 C +ATOM 148 CG2 ILE A 154 0.113 -28.033 45.091 1.00 3.61 C +ATOM 149 CD1 ILE A 154 1.605 -28.872 42.658 1.00 3.76 C +ATOM 150 N SER A 155 1.078 -25.081 45.876 1.00 3.70 N +ATOM 151 CA SER A 155 0.551 -24.169 46.900 1.00 3.67 C +ATOM 152 C SER A 155 -0.460 -24.887 47.803 1.00 3.74 C +ATOM 153 O SER A 155 -1.149 -25.798 47.348 1.00 3.78 O +ATOM 154 CB SER A 155 -0.082 -22.944 46.246 1.00 3.66 C +ATOM 155 OG SER A 155 0.902 -22.149 45.602 1.00 3.27 O +ATOM 156 N CYS A 156 -0.538 -24.482 49.074 1.00 3.75 N +ATOM 157 CA ACYS A 156 -1.369 -25.172 50.071 0.50 3.81 C +ATOM 158 CA BCYS A 156 -1.422 -25.153 50.025 0.50 3.80 C +ATOM 159 C CYS A 156 -1.960 -24.245 51.130 1.00 3.86 C +ATOM 160 O CYS A 156 -1.379 -23.209 51.440 1.00 4.12 O +ATOM 161 CB ACYS A 156 -0.539 -26.225 50.811 0.50 3.81 C +ATOM 162 CB BCYS A 156 -0.720 -26.376 50.641 0.50 3.82 C +ATOM 163 SG ACYS A 156 0.309 -27.413 49.769 0.50 3.67 S +ATOM 164 SG BCYS A 156 0.950 -26.091 51.295 0.50 3.56 S +ATOM 165 N PHE A 157 -3.100 -24.654 51.692 1.00 3.78 N +ATOM 166 CA PHE A 157 -3.674 -24.070 52.911 1.00 3.80 C +ATOM 167 C PHE A 157 -3.742 -25.163 53.977 1.00 3.74 C +ATOM 168 O PHE A 157 -3.821 -26.344 53.651 1.00 3.95 O +ATOM 169 CB PHE A 157 -5.103 -23.565 52.688 1.00 3.68 C +ATOM 170 CG PHE A 157 -5.206 -22.414 51.737 1.00 3.37 C +ATOM 171 CD1 PHE A 157 -5.613 -22.613 50.423 1.00 2.42 C +ATOM 172 CD2 PHE A 157 -4.907 -21.129 52.154 1.00 3.03 C +ATOM 173 CE1 PHE A 157 -5.713 -21.557 49.545 1.00 2.12 C +ATOM 174 CE2 PHE A 157 -5.005 -20.065 51.272 1.00 3.01 C +ATOM 175 CZ PHE A 157 -5.412 -20.284 49.964 1.00 2.33 C +ATOM 176 N GLN A 158 -3.731 -24.770 55.247 1.00 3.66 N +ATOM 177 CA GLN A 158 -4.004 -25.705 56.339 1.00 3.51 C +ATOM 178 C GLN A 158 -5.501 -25.667 56.643 1.00 3.55 C +ATOM 179 O GLN A 158 -6.016 -24.641 57.064 1.00 3.57 O +ATOM 180 CB GLN A 158 -3.199 -25.336 57.579 1.00 3.36 C +ATOM 181 CG GLN A 158 -3.142 -26.436 58.630 1.00 3.36 C +ATOM 182 CD GLN A 158 -2.137 -27.543 58.310 1.00 3.25 C +ATOM 183 OE1 GLN A 158 -1.324 -27.427 57.389 1.00 2.76 O +ATOM 184 NE2 GLN A 158 -2.195 -28.625 59.081 1.00 2.57 N +ATOM 185 N VAL A 159 -6.198 -26.776 56.405 1.00 3.67 N +ATOM 186 CA VAL A 159 -7.639 -26.858 56.660 1.00 3.71 C +ATOM 187 C VAL A 159 -7.985 -28.114 57.452 1.00 3.76 C +ATOM 188 O VAL A 159 -7.653 -29.227 57.044 1.00 3.75 O +ATOM 189 CB VAL A 159 -8.459 -26.868 55.355 1.00 3.81 C +ATOM 190 CG1 VAL A 159 -9.946 -26.889 55.673 1.00 3.18 C +ATOM 191 CG2 VAL A 159 -8.109 -25.666 54.491 1.00 3.64 C +ATOM 192 N GLY A 160 -8.666 -27.924 58.579 1.00 3.93 N +ATOM 193 CA GLY A 160 -9.023 -29.027 59.473 1.00 3.99 C +ATOM 194 C GLY A 160 -7.852 -29.918 59.861 1.00 4.08 C +ATOM 195 O GLY A 160 -7.990 -31.135 59.899 1.00 4.23 O +ATOM 196 N GLY A 161 -6.693 -29.316 60.119 1.00 4.14 N +ATOM 197 CA GLY A 161 -5.536 -30.043 60.645 1.00 4.02 C +ATOM 198 C GLY A 161 -4.684 -30.788 59.631 1.00 4.06 C +ATOM 199 O GLY A 161 -3.860 -31.621 60.009 1.00 4.04 O +ATOM 200 N GLU A 162 -4.868 -30.496 58.347 1.00 4.15 N +ATOM 201 CA GLU A 162 -4.060 -31.111 57.288 1.00 4.13 C +ATOM 202 C GLU A 162 -3.695 -30.096 56.216 1.00 3.99 C +ATOM 203 O GLU A 162 -4.484 -29.193 55.927 1.00 3.89 O +ATOM 204 CB GLU A 162 -4.825 -32.267 56.640 1.00 4.28 C +ATOM 205 CG GLU A 162 -4.945 -33.500 57.510 1.00 4.64 C +ATOM 206 CD GLU A 162 -5.762 -34.598 56.854 1.00 5.45 C +ATOM 207 OE1 GLU A 162 -6.988 -34.408 56.690 1.00 5.78 O +ATOM 208 OE2 GLU A 162 -5.179 -35.653 56.509 1.00 6.07 O +ATOM 209 N LYS A 163 -2.501 -30.249 55.639 1.00 3.81 N +ATOM 210 CA LYS A 163 -2.108 -29.493 54.456 1.00 3.86 C +ATOM 211 C LYS A 163 -2.992 -29.949 53.304 1.00 3.70 C +ATOM 212 O LYS A 163 -3.095 -31.149 53.030 1.00 3.55 O +ATOM 213 CB LYS A 163 -0.633 -29.742 54.067 1.00 3.97 C +ATOM 214 CG LYS A 163 0.421 -29.026 54.915 1.00 4.47 C +ATOM 215 CD LYS A 163 1.816 -29.153 54.286 1.00 4.75 C +ATOM 216 CE LYS A 163 2.919 -28.757 55.255 1.00 5.22 C +ATOM 217 NZ LYS A 163 4.291 -29.120 54.768 1.00 5.64 N +ATOM 218 N ARG A 164 -3.614 -28.991 52.626 1.00 3.58 N +ATOM 219 CA ARG A 164 -4.442 -29.284 51.463 1.00 3.61 C +ATOM 220 C ARG A 164 -3.951 -28.523 50.227 1.00 3.44 C +ATOM 221 O ARG A 164 -3.804 -27.305 50.250 1.00 3.18 O +ATOM 222 CB ARG A 164 -5.907 -28.984 51.773 1.00 3.62 C +ATOM 223 CG ARG A 164 -6.357 -29.607 53.087 1.00 3.81 C +ATOM 224 CD ARG A 164 -7.815 -30.041 53.072 1.00 4.10 C +ATOM 225 NE ARG A 164 -8.256 -30.439 54.407 1.00 4.15 N +ATOM 226 CZ ARG A 164 -9.323 -31.190 54.671 1.00 4.89 C +ATOM 227 NH1 ARG A 164 -10.102 -31.654 53.696 1.00 5.57 N +ATOM 228 NH2 ARG A 164 -9.619 -31.480 55.930 1.00 5.30 N +ATOM 229 N LEU A 165 -3.704 -29.271 49.154 1.00 3.44 N +ATOM 230 CA LEU A 165 -3.019 -28.770 47.967 1.00 3.37 C +ATOM 231 C LEU A 165 -4.007 -28.241 46.938 1.00 3.42 C +ATOM 232 O LEU A 165 -5.129 -28.728 46.843 1.00 3.42 O +ATOM 233 CB LEU A 165 -2.192 -29.893 47.341 1.00 3.29 C +ATOM 234 CG LEU A 165 -0.906 -30.320 48.059 1.00 3.38 C +ATOM 235 CD1 LEU A 165 -1.151 -30.728 49.503 1.00 2.94 C +ATOM 236 CD2 LEU A 165 -0.223 -31.444 47.288 1.00 2.82 C +ATOM 237 N CYS A 166 -3.571 -27.249 46.165 1.00 3.49 N +ATOM 238 CA CYS A 166 -4.369 -26.681 45.077 1.00 3.59 C +ATOM 239 C CYS A 166 -4.575 -27.709 43.959 1.00 3.61 C +ATOM 240 O CYS A 166 -3.672 -27.966 43.169 1.00 3.55 O +ATOM 241 CB CYS A 166 -3.691 -25.421 44.528 1.00 3.51 C +ATOM 242 SG CYS A 166 -4.545 -24.637 43.131 1.00 4.67 S +ATOM 243 N LEU A 167 -5.776 -28.283 43.894 1.00 3.73 N +ATOM 244 CA LEU A 167 -6.054 -29.416 42.998 1.00 3.72 C +ATOM 245 C LEU A 167 -5.683 -29.181 41.527 1.00 3.71 C +ATOM 246 O LEU A 167 -5.113 -30.072 40.900 1.00 3.78 O +ATOM 247 CB LEU A 167 -7.518 -29.867 43.121 1.00 3.68 C +ATOM 248 CG LEU A 167 -7.916 -31.138 42.357 1.00 3.66 C +ATOM 249 CD1 LEU A 167 -7.089 -32.352 42.808 1.00 3.40 C +ATOM 250 CD2 LEU A 167 -9.406 -31.406 42.515 1.00 2.98 C +ATOM 251 N PRO A 168 -6.000 -27.994 40.970 1.00 3.75 N +ATOM 252 CA PRO A 168 -5.627 -27.716 39.581 1.00 3.78 C +ATOM 253 C PRO A 168 -4.138 -27.885 39.275 1.00 3.88 C +ATOM 254 O PRO A 168 -3.792 -28.335 38.184 1.00 4.10 O +ATOM 255 CB PRO A 168 -6.051 -26.258 39.392 1.00 3.79 C +ATOM 256 CG PRO A 168 -7.180 -26.084 40.298 1.00 3.69 C +ATOM 257 CD PRO A 168 -6.867 -26.931 41.508 1.00 3.80 C +ATOM 258 N GLN A 169 -3.273 -27.519 40.218 1.00 3.97 N +ATOM 259 CA GLN A 169 -1.826 -27.706 40.047 1.00 3.94 C +ATOM 260 C GLN A 169 -1.450 -29.176 40.037 1.00 3.85 C +ATOM 261 O GLN A 169 -0.564 -29.580 39.290 1.00 4.11 O +ATOM 262 CB GLN A 169 -1.034 -27.004 41.153 1.00 4.09 C +ATOM 263 CG GLN A 169 -1.005 -25.491 41.045 1.00 4.40 C +ATOM 264 CD GLN A 169 -0.149 -24.855 42.126 1.00 4.76 C +ATOM 265 OE1 GLN A 169 -0.307 -25.146 43.315 1.00 4.78 O +ATOM 266 NE2 GLN A 169 0.759 -23.980 41.718 1.00 4.69 N +ATOM 267 N VAL A 170 -2.109 -29.973 40.875 1.00 3.71 N +ATOM 268 CA VAL A 170 -1.839 -31.412 40.929 1.00 3.59 C +ATOM 269 C VAL A 170 -2.324 -32.112 39.653 1.00 3.67 C +ATOM 270 O VAL A 170 -1.592 -32.908 39.064 1.00 3.82 O +ATOM 271 CB VAL A 170 -2.476 -32.077 42.172 1.00 3.56 C +ATOM 272 CG1 VAL A 170 -2.237 -33.582 42.160 1.00 3.13 C +ATOM 273 CG2 VAL A 170 -1.917 -31.465 43.447 1.00 3.21 C +ATOM 274 N LEU A 171 -3.543 -31.799 39.224 1.00 3.67 N +ATOM 275 CA LEU A 171 -4.132 -32.418 38.032 1.00 3.69 C +ATOM 276 C LEU A 171 -3.452 -31.993 36.732 1.00 3.65 C +ATOM 277 O LEU A 171 -3.109 -32.837 35.905 1.00 3.64 O +ATOM 278 CB LEU A 171 -5.629 -32.098 37.939 1.00 3.70 C +ATOM 279 CG LEU A 171 -6.518 -32.628 39.067 1.00 3.89 C +ATOM 280 CD1 LEU A 171 -7.955 -32.153 38.878 1.00 3.93 C +ATOM 281 CD2 LEU A 171 -6.455 -34.147 39.146 1.00 3.98 C +ATOM 282 N ASN A 172 -3.260 -30.690 36.551 1.00 3.64 N +ATOM 283 CA ASN A 172 -2.797 -30.158 35.264 1.00 3.66 C +ATOM 284 C ASN A 172 -1.283 -30.052 35.123 1.00 3.60 C +ATOM 285 O ASN A 172 -0.792 -29.657 34.068 1.00 3.63 O +ATOM 286 CB ASN A 172 -3.443 -28.802 34.988 1.00 3.64 C +ATOM 287 CG ASN A 172 -4.956 -28.875 34.980 1.00 3.97 C +ATOM 288 OD1 ASN A 172 -5.540 -29.867 34.535 1.00 3.91 O +ATOM 289 ND2 ASN A 172 -5.602 -27.826 35.479 1.00 4.49 N +ATOM 290 N SER A 173 -0.547 -30.400 36.174 1.00 3.62 N +ATOM 291 CA SER A 173 0.915 -30.421 36.106 1.00 3.69 C +ATOM 292 C SER A 173 1.484 -31.774 36.545 1.00 3.55 C +ATOM 293 O SER A 173 1.999 -32.520 35.717 1.00 3.64 O +ATOM 294 CB SER A 173 1.516 -29.276 36.927 1.00 3.79 C +ATOM 295 OG SER A 173 2.911 -29.175 36.698 1.00 3.88 O +ATOM 296 N VAL A 174 1.371 -32.097 37.830 0.60 3.41 N +ATOM 297 CA VAL A 174 1.962 -33.326 38.374 0.60 3.27 C +ATOM 298 C VAL A 174 1.353 -34.595 37.767 0.60 3.23 C +ATOM 299 O VAL A 174 2.061 -35.575 37.544 0.60 3.11 O +ATOM 300 CB VAL A 174 1.839 -33.373 39.917 0.60 3.24 C +ATOM 301 CG1 VAL A 174 2.306 -34.715 40.466 0.60 3.03 C +ATOM 302 CG2 VAL A 174 2.637 -32.242 40.539 0.60 3.12 C +ATOM 303 N LEU A 175 0.050 -34.568 37.495 1.00 3.23 N +ATOM 304 CA LEU A 175 -0.654 -35.729 36.935 1.00 3.28 C +ATOM 305 C LEU A 175 -1.239 -35.463 35.543 1.00 3.27 C +ATOM 306 O LEU A 175 -2.267 -36.038 35.178 1.00 3.22 O +ATOM 307 CB LEU A 175 -1.774 -36.174 37.881 1.00 3.29 C +ATOM 308 CG LEU A 175 -1.379 -36.539 39.312 1.00 3.35 C +ATOM 309 CD1 LEU A 175 -2.623 -36.863 40.133 1.00 3.30 C +ATOM 310 CD2 LEU A 175 -0.410 -37.708 39.325 1.00 3.02 C +ATOM 311 N ARG A 176 -0.577 -34.614 34.759 1.00 3.29 N +ATOM 312 CA ARG A 176 -1.059 -34.270 33.419 1.00 3.32 C +ATOM 313 C ARG A 176 -0.999 -35.455 32.449 1.00 3.44 C +ATOM 314 O ARG A 176 -1.841 -35.560 31.554 1.00 3.44 O +ATOM 315 CB ARG A 176 -0.275 -33.080 32.849 1.00 3.28 C +ATOM 316 CG ARG A 176 -0.735 -32.597 31.463 1.00 3.24 C +ATOM 317 CD ARG A 176 -2.175 -32.076 31.470 1.00 3.09 C +ATOM 318 NE ARG A 176 -2.661 -31.756 30.127 1.00 2.79 N +ATOM 319 CZ ARG A 176 -3.052 -32.654 29.220 1.00 2.67 C +ATOM 320 NH1 ARG A 176 -3.017 -33.957 29.485 1.00 2.55 N +ATOM 321 NH2 ARG A 176 -3.478 -32.246 28.030 1.00 2.48 N +ATOM 322 N GLU A 177 -0.024 -36.348 32.634 1.00 3.49 N +ATOM 323 CA GLU A 177 0.148 -37.507 31.742 1.00 3.60 C +ATOM 324 C GLU A 177 -0.872 -38.631 31.998 1.00 3.48 C +ATOM 325 O GLU A 177 -0.737 -39.730 31.453 1.00 3.43 O +ATOM 326 CB GLU A 177 1.581 -38.059 31.834 1.00 3.71 C +ATOM 327 CG GLU A 177 2.672 -37.113 31.293 1.00 4.20 C +ATOM 328 CD GLU A 177 2.847 -37.149 29.766 1.00 5.14 C +ATOM 329 OE1 GLU A 177 2.558 -38.186 29.122 1.00 5.62 O +ATOM 330 OE2 GLU A 177 3.308 -36.132 29.205 1.00 5.74 O +ATOM 331 N PHE A 178 -1.878 -38.356 32.826 1.00 3.39 N +ATOM 332 CA PHE A 178 -3.007 -39.260 33.028 1.00 3.39 C +ATOM 333 C PHE A 178 -4.315 -38.523 32.753 1.00 3.43 C +ATOM 334 O PHE A 178 -4.458 -37.345 33.096 1.00 3.36 O +ATOM 335 CB PHE A 178 -3.015 -39.798 34.459 1.00 3.38 C +ATOM 336 CG PHE A 178 -1.700 -40.368 34.894 1.00 3.37 C +ATOM 337 CD1 PHE A 178 -1.312 -41.639 34.489 1.00 3.27 C +ATOM 338 CD2 PHE A 178 -0.842 -39.631 35.699 1.00 3.35 C +ATOM 339 CE1 PHE A 178 -0.096 -42.168 34.884 1.00 3.32 C +ATOM 340 CE2 PHE A 178 0.376 -40.153 36.100 1.00 3.38 C +ATOM 341 CZ PHE A 178 0.752 -41.426 35.691 1.00 3.43 C +ATOM 342 N THR A 179 -5.269 -39.225 32.148 1.00 3.46 N +ATOM 343 CA THR A 179 -6.563 -38.634 31.797 1.00 3.48 C +ATOM 344 C THR A 179 -7.414 -38.375 33.040 1.00 3.49 C +ATOM 345 O THR A 179 -7.208 -39.001 34.081 1.00 3.58 O +ATOM 346 CB THR A 179 -7.354 -39.539 30.829 1.00 3.47 C +ATOM 347 OG1 THR A 179 -7.653 -40.787 31.466 1.00 3.48 O +ATOM 348 CG2 THR A 179 -6.552 -39.800 29.565 1.00 3.35 C +ATOM 349 N LEU A 180 -8.366 -37.452 32.928 1.00 3.47 N +ATOM 350 CA LEU A 180 -9.282 -37.156 34.032 1.00 3.46 C +ATOM 351 C LEU A 180 -10.157 -38.359 34.369 1.00 3.53 C +ATOM 352 O LEU A 180 -10.480 -38.584 35.532 1.00 3.63 O +ATOM 353 CB LEU A 180 -10.171 -35.948 33.714 1.00 3.41 C +ATOM 354 CG LEU A 180 -9.545 -34.561 33.861 1.00 3.21 C +ATOM 355 CD1 LEU A 180 -10.553 -33.495 33.467 1.00 2.92 C +ATOM 356 CD2 LEU A 180 -9.050 -34.329 35.278 1.00 3.02 C +ATOM 357 N GLN A 181 -10.540 -39.122 33.349 1.00 3.57 N +ATOM 358 CA GLN A 181 -11.319 -40.343 33.545 1.00 3.60 C +ATOM 359 C GLN A 181 -10.580 -41.326 34.454 1.00 3.64 C +ATOM 360 O GLN A 181 -11.179 -41.918 35.351 1.00 3.66 O +ATOM 361 CB GLN A 181 -11.618 -41.005 32.199 1.00 3.61 C +ATOM 362 CG GLN A 181 -12.508 -42.241 32.283 1.00 3.63 C +ATOM 363 CD GLN A 181 -12.591 -42.989 30.967 1.00 3.57 C +ATOM 364 OE1 GLN A 181 -12.640 -42.383 29.897 1.00 3.62 O +ATOM 365 NE2 GLN A 181 -12.609 -44.315 31.040 1.00 3.34 N +ATOM 366 N GLN A 182 -9.281 -41.491 34.214 1.00 3.67 N +ATOM 367 CA GLN A 182 -8.459 -42.419 34.991 1.00 3.73 C +ATOM 368 C GLN A 182 -8.139 -41.867 36.377 1.00 3.71 C +ATOM 369 O GLN A 182 -8.148 -42.610 37.360 1.00 3.75 O +ATOM 370 CB GLN A 182 -7.160 -42.739 34.248 1.00 3.78 C +ATOM 371 CG GLN A 182 -6.349 -43.867 34.880 1.00 4.04 C +ATOM 372 CD GLN A 182 -5.189 -44.319 34.011 1.00 4.43 C +ATOM 373 OE1 GLN A 182 -4.911 -43.727 32.964 1.00 4.70 O +ATOM 374 NE2 GLN A 182 -4.504 -45.373 34.444 1.00 4.32 N +ATOM 375 N ILE A 183 -7.842 -40.570 36.446 1.00 3.64 N +ATOM 376 CA ILE A 183 -7.607 -39.894 37.722 1.00 3.59 C +ATOM 377 C ILE A 183 -8.805 -40.061 38.657 1.00 3.57 C +ATOM 378 O ILE A 183 -8.638 -40.387 39.834 1.00 3.58 O +ATOM 379 CB ILE A 183 -7.306 -38.386 37.522 1.00 3.63 C +ATOM 380 CG1 ILE A 183 -5.891 -38.195 36.967 1.00 3.57 C +ATOM 381 CG2 ILE A 183 -7.443 -37.623 38.834 1.00 3.47 C +ATOM 382 CD1 ILE A 183 -5.584 -36.771 36.553 1.00 3.37 C +ATOM 383 N ASN A 184 -10.006 -39.845 38.122 1.00 3.50 N +ATOM 384 CA ASN A 184 -11.247 -40.003 38.888 1.00 3.46 C +ATOM 385 C ASN A 184 -11.511 -41.456 39.281 1.00 3.44 C +ATOM 386 O ASN A 184 -12.024 -41.725 40.366 1.00 3.42 O +ATOM 387 CB ASN A 184 -12.447 -39.458 38.102 1.00 3.43 C +ATOM 388 CG ASN A 184 -12.362 -37.958 37.857 1.00 3.33 C +ATOM 389 OD1 ASN A 184 -11.870 -37.202 38.694 1.00 3.34 O +ATOM 390 ND2 ASN A 184 -12.848 -37.522 36.703 1.00 3.37 N +ATOM 391 N THR A 185 -11.162 -42.384 38.392 1.00 3.48 N +ATOM 392 CA THR A 185 -11.313 -43.819 38.654 1.00 3.47 C +ATOM 393 C THR A 185 -10.446 -44.260 39.831 1.00 3.45 C +ATOM 394 O THR A 185 -10.892 -45.029 40.683 1.00 3.44 O +ATOM 395 CB THR A 185 -10.950 -44.666 37.410 1.00 3.44 C +ATOM 396 OG1 THR A 185 -11.849 -44.356 36.339 1.00 3.43 O +ATOM 397 CG2 THR A 185 -11.033 -46.157 37.720 1.00 3.29 C +ATOM 398 N VAL A 186 -9.209 -43.772 39.869 1.00 3.44 N +ATOM 399 CA VAL A 186 -8.299 -44.061 40.976 1.00 3.44 C +ATOM 400 C VAL A 186 -8.825 -43.451 42.276 1.00 3.46 C +ATOM 401 O VAL A 186 -8.851 -44.116 43.310 1.00 3.41 O +ATOM 402 CB VAL A 186 -6.877 -43.535 40.690 1.00 3.43 C +ATOM 403 CG1 VAL A 186 -5.979 -43.716 41.907 1.00 3.47 C +ATOM 404 CG2 VAL A 186 -6.287 -44.242 39.483 1.00 3.34 C +ATOM 405 N CYS A 187 -9.258 -42.193 42.207 1.00 3.54 N +ATOM 406 CA CYS A 187 -9.805 -41.485 43.372 1.00 3.58 C +ATOM 407 C CYS A 187 -10.993 -42.213 44.002 1.00 3.61 C +ATOM 408 O CYS A 187 -11.066 -42.340 45.224 1.00 3.62 O +ATOM 409 CB CYS A 187 -10.211 -40.057 42.998 1.00 3.54 C +ATOM 410 SG CYS A 187 -8.819 -38.925 42.856 1.00 3.52 S +ATOM 411 N ASP A 188 -11.918 -42.682 43.169 1.00 3.64 N +ATOM 412 CA ASP A 188 -13.035 -43.505 43.639 1.00 3.70 C +ATOM 413 C ASP A 188 -12.539 -44.783 44.310 1.00 3.74 C +ATOM 414 O ASP A 188 -13.110 -45.226 45.303 1.00 3.84 O +ATOM 415 CB ASP A 188 -13.971 -43.877 42.481 1.00 3.70 C +ATOM 416 CG ASP A 188 -14.872 -42.729 42.051 1.00 3.79 C +ATOM 417 OD1 ASP A 188 -15.633 -42.918 41.077 1.00 4.09 O +ATOM 418 OD2 ASP A 188 -14.832 -41.648 42.677 1.00 3.90 O +ATOM 419 N GLU A 189 -11.474 -45.363 43.760 1.00 3.75 N +ATOM 420 CA GLU A 189 -10.923 -46.628 44.256 1.00 3.77 C +ATOM 421 C GLU A 189 -10.247 -46.451 45.619 1.00 3.62 C +ATOM 422 O GLU A 189 -10.459 -47.250 46.532 1.00 3.50 O +ATOM 423 CB GLU A 189 -9.915 -47.210 43.251 1.00 3.85 C +ATOM 424 CG GLU A 189 -10.091 -48.701 42.974 1.00 4.18 C +ATOM 425 CD GLU A 189 -11.239 -49.005 42.014 1.00 4.79 C +ATOM 426 OE1 GLU A 189 -11.815 -48.059 41.432 1.00 5.25 O +ATOM 427 OE2 GLU A 189 -11.562 -50.200 41.832 1.00 5.26 O +ATOM 428 N LEU A 190 -9.437 -45.402 45.744 1.00 3.54 N +ATOM 429 CA LEU A 190 -8.688 -45.128 46.976 1.00 3.50 C +ATOM 430 C LEU A 190 -9.446 -44.242 47.979 1.00 3.42 C +ATOM 431 O LEU A 190 -8.903 -43.890 49.022 1.00 3.35 O +ATOM 432 CB LEU A 190 -7.343 -44.479 46.636 1.00 3.49 C +ATOM 433 CG LEU A 190 -6.501 -45.167 45.559 1.00 3.53 C +ATOM 434 CD1 LEU A 190 -5.145 -44.480 45.438 1.00 3.56 C +ATOM 435 CD2 LEU A 190 -6.332 -46.647 45.854 1.00 3.43 C +ATOM 436 N TYR A 191 -10.690 -43.889 47.661 1.00 3.43 N +ATOM 437 CA TYR A 191 -11.540 -43.073 48.539 1.00 3.39 C +ATOM 438 C TYR A 191 -10.920 -41.705 48.822 1.00 3.33 C +ATOM 439 O TYR A 191 -10.831 -41.279 49.971 1.00 3.27 O +ATOM 440 CB TYR A 191 -11.854 -43.814 49.847 1.00 3.38 C +ATOM 441 CG TYR A 191 -12.454 -45.184 49.629 1.00 3.54 C +ATOM 442 CD1 TYR A 191 -11.650 -46.319 49.580 1.00 3.79 C +ATOM 443 CD2 TYR A 191 -13.825 -45.344 49.456 1.00 3.84 C +ATOM 444 CE1 TYR A 191 -12.196 -47.575 49.369 1.00 3.98 C +ATOM 445 CE2 TYR A 191 -14.381 -46.598 49.246 1.00 3.82 C +ATOM 446 CZ TYR A 191 -13.563 -47.708 49.202 1.00 3.96 C +ATOM 447 OH TYR A 191 -14.112 -48.952 48.994 1.00 4.40 O +ATOM 448 N ILE A 192 -10.499 -41.024 47.760 1.00 3.35 N +ATOM 449 CA ILE A 192 -9.898 -39.699 47.884 1.00 3.42 C +ATOM 450 C ILE A 192 -10.982 -38.648 48.139 1.00 3.57 C +ATOM 451 O ILE A 192 -11.867 -38.438 47.312 1.00 3.47 O +ATOM 452 CB ILE A 192 -9.078 -39.309 46.631 1.00 3.40 C +ATOM 453 CG1 ILE A 192 -7.929 -40.300 46.397 1.00 3.25 C +ATOM 454 CG2 ILE A 192 -8.524 -37.892 46.774 1.00 3.07 C +ATOM 455 CD1 ILE A 192 -6.891 -40.310 47.486 1.00 2.77 C +ATOM 456 N TYR A 193 -10.892 -37.992 49.291 1.00 3.73 N +ATOM 457 CA TYR A 193 -11.875 -36.999 49.711 1.00 3.88 C +ATOM 458 C TYR A 193 -11.475 -35.617 49.198 1.00 3.90 C +ATOM 459 O TYR A 193 -10.703 -34.917 49.849 1.00 4.28 O +ATOM 460 CB TYR A 193 -11.974 -37.000 51.250 1.00 3.88 C +ATOM 461 CG TYR A 193 -12.969 -36.015 51.826 1.00 4.05 C +ATOM 462 CD1 TYR A 193 -12.580 -34.720 52.163 1.00 4.11 C +ATOM 463 CD2 TYR A 193 -14.299 -36.379 52.045 1.00 4.33 C +ATOM 464 CE1 TYR A 193 -13.484 -33.813 52.686 1.00 4.00 C +ATOM 465 CE2 TYR A 193 -15.213 -35.476 52.576 1.00 3.97 C +ATOM 466 CZ TYR A 193 -14.798 -34.193 52.891 1.00 4.15 C +ATOM 467 OH TYR A 193 -15.694 -33.285 53.412 1.00 4.39 O +ATOM 468 N CYS A 194 -11.973 -35.220 48.032 1.00 3.83 N +ATOM 469 CA CYS A 194 -11.703 -33.860 47.531 1.00 3.96 C +ATOM 470 C CYS A 194 -12.818 -32.882 47.931 1.00 3.67 C +ATOM 471 O CYS A 194 -13.992 -33.253 47.998 1.00 3.56 O +ATOM 472 CB CYS A 194 -11.469 -33.840 46.012 1.00 4.04 C +ATOM 473 SG CYS A 194 -9.730 -34.023 45.517 1.00 4.93 S +ATOM 474 N SER A 195 -12.418 -31.641 48.204 1.00 3.39 N +ATOM 475 CA SER A 195 -13.314 -30.589 48.678 1.00 3.28 C +ATOM 476 C SER A 195 -12.975 -29.250 48.021 1.00 3.17 C +ATOM 477 O SER A 195 -11.900 -29.088 47.444 1.00 3.02 O +ATOM 478 CB SER A 195 -13.199 -30.447 50.195 1.00 3.30 C +ATOM 479 OG SER A 195 -11.880 -30.083 50.570 1.00 3.17 O +ATOM 480 N ARG A 196 -13.888 -28.291 48.133 1.00 3.00 N +ATOM 481 CA ARG A 196 -13.736 -26.996 47.473 1.00 2.97 C +ATOM 482 C ARG A 196 -13.185 -25.937 48.421 1.00 2.97 C +ATOM 483 O ARG A 196 -13.486 -25.953 49.613 1.00 2.89 O +ATOM 484 CB ARG A 196 -15.080 -26.545 46.901 1.00 2.85 C +ATOM 485 CG ARG A 196 -15.572 -27.438 45.766 1.00 2.66 C +ATOM 486 CD ARG A 196 -15.235 -26.891 44.387 1.00 2.36 C +ATOM 487 NE ARG A 196 -16.371 -26.160 43.827 1.00 2.28 N +ATOM 488 CZ ARG A 196 -17.137 -26.566 42.814 1.00 2.00 C +ATOM 489 NH1 ARG A 196 -16.911 -27.711 42.178 1.00 2.00 N +ATOM 490 NH2 ARG A 196 -18.143 -25.796 42.418 1.00 2.23 N +ATOM 491 N ACYS A 197 -12.377 -25.028 47.866 0.50 2.97 N +ATOM 492 N BCYS A 197 -12.372 -25.025 47.900 0.50 3.01 N +ATOM 493 CA ACYS A 197 -11.835 -23.872 48.588 0.50 2.93 C +ATOM 494 CA BCYS A 197 -11.815 -23.964 48.727 0.50 3.00 C +ATOM 495 C ACYS A 197 -12.956 -22.946 49.035 0.50 3.00 C +ATOM 496 C BCYS A 197 -12.888 -22.915 49.004 0.50 3.03 C +ATOM 497 O ACYS A 197 -14.018 -22.911 48.416 0.50 2.91 O +ATOM 498 O BCYS A 197 -13.844 -22.776 48.244 0.50 2.93 O +ATOM 499 CB ACYS A 197 -10.894 -23.060 47.685 0.50 2.91 C +ATOM 500 CB BCYS A 197 -10.600 -23.326 48.054 0.50 2.99 C +ATOM 501 SG ACYS A 197 -9.232 -23.732 47.399 0.50 2.43 S +ATOM 502 SG BCYS A 197 -10.998 -22.034 46.873 0.50 2.79 S +ATOM 503 N THR A 198 -12.714 -22.190 50.103 1.00 3.10 N +ATOM 504 CA THR A 198 -13.629 -21.122 50.514 1.00 3.19 C +ATOM 505 C THR A 198 -13.442 -19.934 49.572 1.00 3.29 C +ATOM 506 O THR A 198 -12.444 -19.863 48.848 1.00 3.12 O +ATOM 507 CB THR A 198 -13.329 -20.644 51.945 1.00 3.15 C +ATOM 508 OG1 THR A 198 -12.029 -20.037 51.977 1.00 4.13 O +ATOM 509 CG2 THR A 198 -13.356 -21.804 52.931 1.00 2.67 C +ATOM 510 N SER A 199 -14.382 -18.994 49.588 1.00 3.27 N +ATOM 511 CA SER A 199 -14.247 -17.797 48.754 1.00 3.36 C +ATOM 512 C SER A 199 -12.991 -16.989 49.133 1.00 3.39 C +ATOM 513 O SER A 199 -12.346 -16.404 48.262 1.00 3.42 O +ATOM 514 CB SER A 199 -15.501 -16.923 48.839 1.00 3.16 C +ATOM 515 OG SER A 199 -15.535 -16.222 50.062 1.00 3.29 O +ATOM 516 N ASP A 200 -12.654 -16.967 50.424 1.00 3.45 N +ATOM 517 CA ASP A 200 -11.404 -16.356 50.901 1.00 3.65 C +ATOM 518 C ASP A 200 -10.173 -17.059 50.317 1.00 3.59 C +ATOM 519 O ASP A 200 -9.261 -16.396 49.830 1.00 3.99 O +ATOM 520 CB ASP A 200 -11.317 -16.394 52.433 1.00 3.62 C +ATOM 521 CG ASP A 200 -12.111 -15.288 53.108 1.00 4.22 C +ATOM 522 OD1 ASP A 200 -12.204 -15.328 54.357 1.00 4.81 O +ATOM 523 OD2 ASP A 200 -12.637 -14.380 52.419 1.00 4.94 O +ATOM 524 N GLN A 201 -10.150 -18.390 50.374 1.00 3.48 N +ATOM 525 CA GLN A 201 -9.037 -19.175 49.810 1.00 3.53 C +ATOM 526 C GLN A 201 -8.938 -19.024 48.297 1.00 3.49 C +ATOM 527 O GLN A 201 -7.842 -18.905 47.754 1.00 3.67 O +ATOM 528 CB GLN A 201 -9.168 -20.654 50.167 1.00 3.41 C +ATOM 529 CG GLN A 201 -8.764 -20.973 51.602 1.00 3.89 C +ATOM 530 CD GLN A 201 -9.459 -22.209 52.170 1.00 3.89 C +ATOM 531 OE1 GLN A 201 -10.316 -22.811 51.517 1.00 3.37 O +ATOM 532 NE2 GLN A 201 -9.091 -22.587 53.395 1.00 3.23 N +ATOM 533 N LEU A 202 -10.084 -19.030 47.623 1.00 3.39 N +ATOM 534 CA LEU A 202 -10.126 -18.812 46.180 1.00 3.24 C +ATOM 535 C LEU A 202 -9.447 -17.497 45.799 1.00 3.20 C +ATOM 536 O LEU A 202 -8.638 -17.462 44.880 1.00 3.28 O +ATOM 537 CB LEU A 202 -11.569 -18.810 45.669 1.00 2.98 C +ATOM 538 CG LEU A 202 -11.751 -18.716 44.150 1.00 2.95 C +ATOM 539 CD1 LEU A 202 -10.995 -19.834 43.423 1.00 2.00 C +ATOM 540 CD2 LEU A 202 -13.242 -18.720 43.785 1.00 2.00 C +ATOM 541 N HIS A 203 -9.767 -16.425 46.515 1.00 3.13 N +ATOM 542 CA HIS A 203 -9.266 -15.101 46.166 1.00 3.12 C +ATOM 543 C HIS A 203 -7.775 -14.930 46.458 1.00 3.10 C +ATOM 544 O HIS A 203 -7.065 -14.295 45.686 1.00 2.82 O +ATOM 545 CB HIS A 203 -10.055 -14.013 46.881 1.00 3.21 C +ATOM 546 CG HIS A 203 -9.791 -12.642 46.344 1.00 3.22 C +ATOM 547 ND1 HIS A 203 -8.779 -11.835 46.821 1.00 2.56 N +ATOM 548 CD2 HIS A 203 -10.395 -11.946 45.352 1.00 3.21 C +ATOM 549 CE1 HIS A 203 -8.782 -10.694 46.156 1.00 2.51 C +ATOM 550 NE2 HIS A 203 -9.747 -10.738 45.256 1.00 3.39 N +ATOM 551 N ILE A 204 -7.315 -15.490 47.572 1.00 3.16 N +ATOM 552 CA ILE A 204 -5.890 -15.512 47.900 1.00 3.05 C +ATOM 553 C ILE A 204 -5.087 -16.211 46.797 1.00 3.09 C +ATOM 554 O ILE A 204 -4.014 -15.732 46.399 1.00 3.05 O +ATOM 555 CB ILE A 204 -5.637 -16.203 49.265 1.00 3.15 C +ATOM 556 CG1 ILE A 204 -6.173 -15.330 50.405 1.00 3.02 C +ATOM 557 CG2 ILE A 204 -4.163 -16.459 49.491 1.00 2.61 C +ATOM 558 CD1 ILE A 204 -6.284 -16.050 51.720 1.00 2.51 C +ATOM 559 N LEU A 205 -5.608 -17.328 46.294 1.00 3.06 N +ATOM 560 CA LEU A 205 -4.932 -18.063 45.220 1.00 3.27 C +ATOM 561 C LEU A 205 -4.790 -17.219 43.950 1.00 3.34 C +ATOM 562 O LEU A 205 -3.849 -17.394 43.192 1.00 3.27 O +ATOM 563 CB LEU A 205 -5.651 -19.383 44.915 1.00 3.22 C +ATOM 564 CG LEU A 205 -5.400 -20.531 45.898 1.00 3.07 C +ATOM 565 CD1 LEU A 205 -6.397 -21.641 45.668 1.00 3.21 C +ATOM 566 CD2 LEU A 205 -3.982 -21.070 45.783 1.00 3.10 C +ATOM 567 N LYS A 206 -5.724 -16.296 43.736 1.00 3.59 N +ATOM 568 CA LYS A 206 -5.659 -15.378 42.605 1.00 3.65 C +ATOM 569 C LYS A 206 -4.643 -14.256 42.834 1.00 3.80 C +ATOM 570 O LYS A 206 -3.771 -14.022 41.984 1.00 4.09 O +ATOM 571 CB LYS A 206 -7.049 -14.805 42.313 1.00 3.79 C +ATOM 572 CG LYS A 206 -8.029 -15.858 41.804 1.00 3.59 C +ATOM 573 CD LYS A 206 -9.474 -15.397 41.882 1.00 3.53 C +ATOM 574 CE LYS A 206 -10.402 -16.384 41.179 1.00 3.39 C +ATOM 575 NZ LYS A 206 -11.809 -15.906 41.117 1.00 3.44 N +ATOM 576 N VAL A 207 -4.718 -13.580 43.978 1.00 3.74 N +ATOM 577 CA VAL A 207 -3.846 -12.416 44.209 1.00 3.77 C +ATOM 578 C VAL A 207 -2.372 -12.838 44.277 1.00 3.80 C +ATOM 579 O VAL A 207 -1.501 -12.153 43.744 1.00 3.87 O +ATOM 580 CB VAL A 207 -4.224 -11.568 45.475 1.00 3.80 C +ATOM 581 CG1 VAL A 207 -5.738 -11.493 45.675 1.00 2.88 C +ATOM 582 CG2 VAL A 207 -3.531 -12.082 46.722 1.00 4.11 C +ATOM 583 N LEU A 208 -2.111 -13.979 44.912 1.00 3.84 N +ATOM 584 CA LEU A 208 -0.759 -14.523 45.016 1.00 3.84 C +ATOM 585 C LEU A 208 -0.307 -15.276 43.752 1.00 3.97 C +ATOM 586 O LEU A 208 0.764 -15.887 43.731 1.00 4.27 O +ATOM 587 CB LEU A 208 -0.633 -15.395 46.268 1.00 3.72 C +ATOM 588 CG LEU A 208 -0.845 -14.639 47.589 1.00 3.86 C +ATOM 589 CD1 LEU A 208 -0.708 -15.566 48.797 1.00 4.00 C +ATOM 590 CD2 LEU A 208 0.114 -13.472 47.722 1.00 3.46 C +ATOM 591 N GLY A 209 -1.116 -15.218 42.697 1.00 4.10 N +ATOM 592 CA GLY A 209 -0.657 -15.529 41.342 1.00 4.02 C +ATOM 593 C GLY A 209 -0.729 -16.985 40.925 1.00 4.12 C +ATOM 594 O GLY A 209 -0.136 -17.363 39.914 1.00 3.94 O +ATOM 595 N ILE A 210 -1.466 -17.804 41.673 1.00 4.15 N +ATOM 596 CA ILE A 210 -1.532 -19.242 41.384 1.00 4.19 C +ATOM 597 C ILE A 210 -2.658 -19.584 40.411 1.00 4.15 C +ATOM 598 O ILE A 210 -2.494 -20.448 39.546 1.00 4.24 O +ATOM 599 CB ILE A 210 -1.699 -20.081 42.660 1.00 4.20 C +ATOM 600 CG1 ILE A 210 -0.602 -19.736 43.677 1.00 4.07 C +ATOM 601 CG2 ILE A 210 -1.660 -21.575 42.314 1.00 4.29 C +ATOM 602 CD1 ILE A 210 0.814 -20.010 43.178 1.00 3.83 C +ATOM 603 N LEU A 211 -3.792 -18.908 40.558 1.00 4.16 N +ATOM 604 CA LEU A 211 -4.956 -19.150 39.705 1.00 4.16 C +ATOM 605 C LEU A 211 -5.333 -17.924 38.874 1.00 4.18 C +ATOM 606 O LEU A 211 -5.112 -16.787 39.299 1.00 4.17 O +ATOM 607 CB LEU A 211 -6.164 -19.551 40.548 1.00 4.04 C +ATOM 608 CG LEU A 211 -6.120 -20.897 41.270 1.00 4.14 C +ATOM 609 CD1 LEU A 211 -7.506 -21.183 41.873 1.00 4.02 C +ATOM 610 CD2 LEU A 211 -5.686 -22.029 40.341 1.00 3.50 C +ATOM 611 N PRO A 212 -5.907 -18.154 37.682 1.00 4.16 N +ATOM 612 CA PRO A 212 -6.447 -17.040 36.924 1.00 4.09 C +ATOM 613 C PRO A 212 -7.644 -16.433 37.651 1.00 3.97 C +ATOM 614 O PRO A 212 -8.404 -17.155 38.287 1.00 4.09 O +ATOM 615 CB PRO A 212 -6.875 -17.688 35.601 1.00 4.17 C +ATOM 616 CG PRO A 212 -7.042 -19.130 35.904 1.00 4.21 C +ATOM 617 CD PRO A 212 -6.034 -19.430 36.952 1.00 4.28 C +ATOM 618 N PHE A 213 -7.796 -15.117 37.550 1.00 3.76 N +ATOM 619 CA PHE A 213 -8.839 -14.399 38.270 1.00 3.66 C +ATOM 620 C PHE A 213 -10.263 -14.786 37.853 1.00 3.72 C +ATOM 621 O PHE A 213 -11.199 -14.592 38.631 1.00 3.88 O +ATOM 622 CB PHE A 213 -8.639 -12.881 38.154 1.00 3.52 C +ATOM 623 CG PHE A 213 -7.766 -12.298 39.240 1.00 3.45 C +ATOM 624 CD1 PHE A 213 -6.378 -12.410 39.180 1.00 2.87 C +ATOM 625 CD2 PHE A 213 -8.330 -11.635 40.324 1.00 2.81 C +ATOM 626 CE1 PHE A 213 -5.575 -11.875 40.177 1.00 2.50 C +ATOM 627 CE2 PHE A 213 -7.530 -11.098 41.327 1.00 2.85 C +ATOM 628 CZ PHE A 213 -6.149 -11.220 41.253 1.00 2.84 C +ATOM 629 N ASN A 214 -10.432 -15.329 36.646 1.00 3.65 N +ATOM 630 CA ASN A 214 -11.751 -15.807 36.196 1.00 3.50 C +ATOM 631 C ASN A 214 -12.194 -17.108 36.867 1.00 3.51 C +ATOM 632 O ASN A 214 -13.376 -17.453 36.815 1.00 3.59 O +ATOM 633 CB ASN A 214 -11.778 -16.012 34.675 1.00 3.46 C +ATOM 634 CG ASN A 214 -11.826 -14.706 33.896 1.00 3.34 C +ATOM 635 OD1 ASN A 214 -11.929 -13.620 34.466 1.00 3.09 O +ATOM 636 ND2 ASN A 214 -11.746 -14.813 32.576 1.00 2.90 N +ATOM 637 N ALA A 215 -11.254 -17.832 37.477 1.00 3.46 N +ATOM 638 CA ALA A 215 -11.546 -19.132 38.103 1.00 3.41 C +ATOM 639 C ALA A 215 -12.767 -19.062 39.051 1.00 3.40 C +ATOM 640 O ALA A 215 -12.741 -18.334 40.044 1.00 3.35 O +ATOM 641 CB ALA A 215 -10.324 -19.644 38.848 1.00 2.95 C +ATOM 642 N PRO A 216 -13.838 -19.817 38.744 1.00 3.46 N +ATOM 643 CA PRO A 216 -15.052 -19.794 39.576 1.00 3.53 C +ATOM 644 C PRO A 216 -14.923 -20.583 40.887 1.00 3.67 C +ATOM 645 O PRO A 216 -15.617 -20.282 41.862 1.00 3.46 O +ATOM 646 CB PRO A 216 -16.095 -20.449 38.671 1.00 3.47 C +ATOM 647 CG PRO A 216 -15.314 -21.423 37.870 1.00 3.38 C +ATOM 648 CD PRO A 216 -13.963 -20.778 37.633 1.00 3.47 C +ATOM 649 N SER A 217 -14.049 -21.591 40.901 1.00 3.88 N +ATOM 650 CA SER A 217 -13.826 -22.405 42.095 1.00 3.98 C +ATOM 651 C SER A 217 -12.476 -23.098 42.036 1.00 4.11 C +ATOM 652 O SER A 217 -11.783 -23.038 41.030 1.00 4.36 O +ATOM 653 CB SER A 217 -14.925 -23.458 42.227 1.00 3.94 C +ATOM 654 OG SER A 217 -14.940 -24.299 41.088 1.00 4.19 O +ATOM 655 N CYS A 218 -12.110 -23.760 43.125 1.00 4.35 N +ATOM 656 CA CYS A 218 -10.869 -24.518 43.175 1.00 4.49 C +ATOM 657 C CYS A 218 -10.982 -25.660 44.169 1.00 4.51 C +ATOM 658 O CYS A 218 -11.373 -25.457 45.322 1.00 4.69 O +ATOM 659 CB CYS A 218 -9.711 -23.613 43.570 1.00 4.42 C +ATOM 660 SG CYS A 218 -8.123 -24.396 43.372 1.00 5.62 S +ATOM 661 N GLY A 219 -10.645 -26.862 43.713 1.00 4.41 N +ATOM 662 CA GLY A 219 -10.624 -28.030 44.581 1.00 4.28 C +ATOM 663 C GLY A 219 -9.374 -28.062 45.439 1.00 3.99 C +ATOM 664 O GLY A 219 -8.361 -27.476 45.082 1.00 4.27 O +ATOM 665 N LEU A 220 -9.460 -28.739 46.579 1.00 3.80 N +ATOM 666 CA LEU A 220 -8.307 -28.996 47.428 1.00 3.69 C +ATOM 667 C LEU A 220 -8.200 -30.490 47.702 1.00 3.72 C +ATOM 668 O LEU A 220 -9.217 -31.173 47.898 1.00 3.88 O +ATOM 669 CB LEU A 220 -8.413 -28.244 48.753 1.00 3.65 C +ATOM 670 CG LEU A 220 -8.348 -26.720 48.691 1.00 3.59 C +ATOM 671 CD1 LEU A 220 -8.688 -26.121 50.050 1.00 3.07 C +ATOM 672 CD2 LEU A 220 -6.985 -26.252 48.214 1.00 3.09 C +ATOM 673 N ILE A 221 -6.964 -30.982 47.715 1.00 3.56 N +ATOM 674 CA ILE A 221 -6.661 -32.379 48.032 1.00 3.50 C +ATOM 675 C ILE A 221 -5.649 -32.391 49.176 1.00 3.57 C +ATOM 676 O ILE A 221 -4.702 -31.603 49.170 1.00 3.82 O +ATOM 677 CB ILE A 221 -6.094 -33.112 46.799 1.00 3.44 C +ATOM 678 CG1 ILE A 221 -5.848 -34.595 47.098 1.00 3.48 C +ATOM 679 CG2 ILE A 221 -4.806 -32.457 46.324 1.00 3.07 C +ATOM 680 CD1 ILE A 221 -5.695 -35.450 45.842 1.00 2.40 C +ATOM 681 N THR A 222 -5.846 -33.258 50.164 1.00 3.52 N +ATOM 682 CA THR A 222 -4.889 -33.358 51.274 1.00 3.59 C +ATOM 683 C THR A 222 -3.542 -33.887 50.770 1.00 3.63 C +ATOM 684 O THR A 222 -3.493 -34.675 49.827 1.00 3.53 O +ATOM 685 CB THR A 222 -5.394 -34.263 52.413 1.00 3.51 C +ATOM 686 OG1 THR A 222 -5.555 -35.603 51.934 1.00 3.78 O +ATOM 687 CG2 THR A 222 -6.716 -33.754 52.965 1.00 3.31 C +ATOM 688 N LEU A 223 -2.455 -33.433 51.389 1.00 3.74 N +ATOM 689 CA LEU A 223 -1.110 -33.902 51.027 1.00 3.92 C +ATOM 690 C LEU A 223 -1.059 -35.427 51.031 1.00 3.98 C +ATOM 691 O LEU A 223 -0.522 -36.044 50.113 1.00 4.08 O +ATOM 692 CB LEU A 223 -0.047 -33.350 51.993 1.00 3.82 C +ATOM 693 CG LEU A 223 1.414 -33.718 51.693 1.00 3.77 C +ATOM 694 CD1 LEU A 223 1.782 -33.326 50.275 1.00 3.64 C +ATOM 695 CD2 LEU A 223 2.376 -33.072 52.690 1.00 2.93 C +ATOM 696 N THR A 224 -1.642 -36.021 52.066 1.00 4.05 N +ATOM 697 CA THR A 224 -1.621 -37.468 52.233 1.00 4.18 C +ATOM 698 C THR A 224 -2.395 -38.186 51.116 1.00 4.17 C +ATOM 699 O THR A 224 -1.950 -39.228 50.630 1.00 4.27 O +ATOM 700 CB THR A 224 -2.125 -37.880 53.640 1.00 4.01 C +ATOM 701 OG1 THR A 224 -1.929 -39.284 53.836 1.00 4.41 O +ATOM 702 CG2 THR A 224 -3.579 -37.551 53.807 1.00 4.79 C +ATOM 703 N ASP A 225 -3.526 -37.624 50.693 1.00 4.13 N +ATOM 704 CA ASP A 225 -4.287 -38.185 49.562 1.00 4.01 C +ATOM 705 C ASP A 225 -3.592 -37.935 48.223 1.00 3.86 C +ATOM 706 O ASP A 225 -3.693 -38.752 47.311 1.00 3.88 O +ATOM 707 CB ASP A 225 -5.726 -37.644 49.518 1.00 3.99 C +ATOM 708 CG ASP A 225 -6.648 -38.314 50.543 1.00 4.17 C +ATOM 709 OD1 ASP A 225 -6.295 -39.389 51.080 1.00 4.34 O +ATOM 710 OD2 ASP A 225 -7.735 -37.765 50.810 1.00 4.29 O +ATOM 711 N ALA A 226 -2.896 -36.810 48.102 1.00 3.70 N +ATOM 712 CA ALA A 226 -2.144 -36.511 46.883 1.00 3.66 C +ATOM 713 C ALA A 226 -0.983 -37.494 46.704 1.00 3.67 C +ATOM 714 O ALA A 226 -0.751 -37.994 45.604 1.00 3.65 O +ATOM 715 CB ALA A 226 -1.634 -35.076 46.906 1.00 3.53 C +ATOM 716 N GLN A 227 -0.271 -37.780 47.791 1.00 3.71 N +ATOM 717 CA GLN A 227 0.876 -38.682 47.738 1.00 3.89 C +ATOM 718 C GLN A 227 0.455 -40.111 47.384 1.00 3.92 C +ATOM 719 O GLN A 227 1.107 -40.760 46.562 1.00 3.89 O +ATOM 720 CB GLN A 227 1.685 -38.640 49.048 1.00 3.88 C +ATOM 721 CG GLN A 227 2.508 -37.352 49.201 1.00 4.06 C +ATOM 722 CD GLN A 227 3.267 -37.252 50.517 1.00 4.30 C +ATOM 723 OE1 GLN A 227 2.997 -37.986 51.468 1.00 4.49 O +ATOM 724 NE2 GLN A 227 4.226 -36.329 50.575 1.00 4.27 N +ATOM 725 N ARG A 228 -0.637 -40.591 47.976 1.00 3.82 N +ATOM 726 CA ARG A 228 -1.108 -41.957 47.689 1.00 3.85 C +ATOM 727 C ARG A 228 -1.868 -42.070 46.362 1.00 3.82 C +ATOM 728 O ARG A 228 -1.933 -43.154 45.774 1.00 3.80 O +ATOM 729 CB ARG A 228 -1.922 -42.540 48.852 1.00 3.84 C +ATOM 730 CG ARG A 228 -3.200 -41.811 49.198 1.00 4.06 C +ATOM 731 CD ARG A 228 -3.732 -42.260 50.557 1.00 3.83 C +ATOM 732 NE ARG A 228 -4.514 -43.486 50.430 1.00 3.63 N +ATOM 733 CZ ARG A 228 -5.832 -43.536 50.248 1.00 3.39 C +ATOM 734 NH1 ARG A 228 -6.557 -42.425 50.182 1.00 3.33 N +ATOM 735 NH2 ARG A 228 -6.435 -44.716 50.133 1.00 3.49 N +ATOM 736 N LEU A 229 -2.434 -40.960 45.892 1.00 3.82 N +ATOM 737 CA LEU A 229 -2.971 -40.890 44.532 1.00 3.83 C +ATOM 738 C LEU A 229 -1.823 -40.989 43.536 1.00 3.88 C +ATOM 739 O LEU A 229 -1.887 -41.762 42.580 1.00 3.91 O +ATOM 740 CB LEU A 229 -3.736 -39.584 44.307 1.00 3.85 C +ATOM 741 CG LEU A 229 -4.247 -39.303 42.889 1.00 3.85 C +ATOM 742 CD1 LEU A 229 -5.228 -40.377 42.444 1.00 3.93 C +ATOM 743 CD2 LEU A 229 -4.885 -37.919 42.815 1.00 3.56 C +ATOM 744 N CYS A 230 -0.777 -40.202 43.771 1.00 3.90 N +ATOM 745 CA CYS A 230 0.422 -40.240 42.936 1.00 3.86 C +ATOM 746 C CYS A 230 1.049 -41.628 42.918 1.00 3.80 C +ATOM 747 O CYS A 230 1.456 -42.107 41.858 1.00 3.88 O +ATOM 748 CB CYS A 230 1.449 -39.213 43.415 1.00 3.83 C +ATOM 749 SG CYS A 230 1.012 -37.516 43.012 1.00 4.68 S +ATOM 750 N ASN A 231 1.123 -42.267 44.087 1.00 3.72 N +ATOM 751 CA ASN A 231 1.650 -43.634 44.197 1.00 3.58 C +ATOM 752 C ASN A 231 0.919 -44.583 43.251 1.00 3.54 C +ATOM 753 O ASN A 231 1.545 -45.337 42.505 1.00 3.60 O +ATOM 754 CB ASN A 231 1.525 -44.171 45.634 1.00 3.52 C +ATOM 755 CG ASN A 231 2.413 -43.435 46.634 1.00 3.35 C +ATOM 756 OD1 ASN A 231 3.356 -42.734 46.265 1.00 2.83 O +ATOM 757 ND2 ASN A 231 2.103 -43.597 47.914 1.00 3.14 N +ATOM 758 N ALA A 232 -0.409 -44.523 43.284 1.00 3.48 N +ATOM 759 CA ALA A 232 -1.257 -45.422 42.500 1.00 3.49 C +ATOM 760 C ALA A 232 -1.090 -45.248 40.984 1.00 3.49 C +ATOM 761 O ALA A 232 -1.141 -46.227 40.236 1.00 3.44 O +ATOM 762 CB ALA A 232 -2.715 -45.237 42.895 1.00 3.42 C +ATOM 763 N LEU A 233 -0.878 -44.009 40.545 1.00 3.50 N +ATOM 764 CA LEU A 233 -0.774 -43.691 39.118 1.00 3.53 C +ATOM 765 C LEU A 233 0.647 -43.819 38.566 1.00 3.59 C +ATOM 766 O LEU A 233 0.868 -44.517 37.578 1.00 3.64 O +ATOM 767 CB LEU A 233 -1.305 -42.282 38.849 1.00 3.44 C +ATOM 768 CG LEU A 233 -2.829 -42.172 38.844 1.00 3.45 C +ATOM 769 CD1 LEU A 233 -3.275 -40.721 38.968 1.00 3.29 C +ATOM 770 CD2 LEU A 233 -3.407 -42.809 37.590 1.00 3.02 C +ATOM 771 N LEU A 234 1.597 -43.134 39.196 1.00 3.70 N +ATOM 772 CA LEU A 234 2.981 -43.088 38.705 1.00 3.70 C +ATOM 773 C LEU A 234 3.786 -44.347 39.020 1.00 3.68 C +ATOM 774 O LEU A 234 4.739 -44.658 38.308 1.00 3.71 O +ATOM 775 CB LEU A 234 3.713 -41.859 39.261 1.00 3.79 C +ATOM 776 CG LEU A 234 3.239 -40.507 38.716 1.00 4.04 C +ATOM 777 CD1 LEU A 234 3.732 -39.352 39.581 1.00 4.24 C +ATOM 778 CD2 LEU A 234 3.694 -40.331 37.275 1.00 4.09 C +ATOM 779 N ARG A 235 3.416 -45.065 40.080 1.00 3.67 N +ATOM 780 CA ARG A 235 4.132 -46.291 40.470 1.00 3.63 C +ATOM 781 C ARG A 235 3.178 -47.435 40.849 1.00 3.61 C +ATOM 782 O ARG A 235 3.131 -47.842 42.012 1.00 3.63 O +ATOM 783 CB ARG A 235 5.085 -45.997 41.641 1.00 3.59 C +ATOM 784 CG ARG A 235 6.177 -44.968 41.345 1.00 3.55 C +ATOM 785 CD ARG A 235 6.843 -44.469 42.624 1.00 3.52 C +ATOM 786 NE ARG A 235 5.938 -43.662 43.445 1.00 3.48 N +ATOM 787 CZ ARG A 235 5.684 -42.363 43.267 1.00 3.60 C +ATOM 788 NH1 ARG A 235 6.261 -41.675 42.287 1.00 3.64 N +ATOM 789 NH2 ARG A 235 4.836 -41.740 44.082 1.00 3.69 N +ATOM 790 N PRO A 236 2.417 -47.964 39.870 1.00 3.60 N +ATOM 791 CA PRO A 236 1.512 -49.093 40.126 1.00 3.61 C +ATOM 792 C PRO A 236 2.217 -50.340 40.657 1.00 3.59 C +ATOM 793 O PRO A 236 3.294 -50.693 40.174 1.00 3.56 O +ATOM 794 CB PRO A 236 0.912 -49.386 38.746 1.00 3.62 C +ATOM 795 CG PRO A 236 1.055 -48.129 37.990 1.00 3.60 C +ATOM 796 CD PRO A 236 2.315 -47.493 38.478 1.00 3.59 C Added: SwiftApps/modFTdock/input/indata/3eq5-2.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3eq5-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3eq5-2.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,782 @@ +ATOM 1 N SER B 141 -0.618 -6.096 17.841 1.00 4.90 N +ATOM 2 CA SER B 141 -1.949 -6.742 18.049 1.00 4.89 C +ATOM 3 C SER B 141 -2.088 -7.271 19.480 1.00 4.84 C +ATOM 4 O SER B 141 -1.792 -8.440 19.761 1.00 4.79 O +ATOM 5 CB SER B 141 -2.160 -7.870 17.040 1.00 4.90 C +ATOM 6 OG SER B 141 -3.385 -8.540 17.288 1.00 5.38 O +ATOM 7 N THR B 142 -2.557 -6.393 20.367 1.00 4.81 N +ATOM 8 CA THR B 142 -2.664 -6.669 21.803 1.00 4.75 C +ATOM 9 C THR B 142 -4.124 -6.682 22.268 1.00 4.72 C +ATOM 10 O THR B 142 -4.402 -6.554 23.463 1.00 4.69 O +ATOM 11 CB THR B 142 -1.899 -5.603 22.622 1.00 4.78 C +ATOM 12 OG1 THR B 142 -2.613 -4.358 22.581 1.00 5.05 O +ATOM 13 CG2 THR B 142 -0.487 -5.390 22.063 1.00 4.92 C +ATOM 14 N GLU B 143 -5.047 -6.827 21.318 1.00 4.59 N +ATOM 15 CA GLU B 143 -6.475 -6.891 21.613 1.00 4.53 C +ATOM 16 C GLU B 143 -6.933 -8.341 21.720 1.00 4.41 C +ATOM 17 O GLU B 143 -6.852 -9.103 20.755 1.00 4.37 O +ATOM 18 CB GLU B 143 -7.275 -6.184 20.522 1.00 4.65 C +ATOM 19 CG GLU B 143 -7.045 -4.677 20.463 1.00 5.10 C +ATOM 20 CD GLU B 143 -7.833 -4.001 19.350 1.00 5.74 C +ATOM 21 OE1 GLU B 143 -8.644 -4.685 18.684 1.00 6.13 O +ATOM 22 OE2 GLU B 143 -7.643 -2.782 19.142 1.00 6.21 O +ATOM 23 N LEU B 144 -7.425 -8.716 22.895 1.00 4.35 N +ATOM 24 CA LEU B 144 -7.877 -10.081 23.129 1.00 4.23 C +ATOM 25 C LEU B 144 -9.295 -10.255 22.614 1.00 4.28 C +ATOM 26 O LEU B 144 -10.127 -9.354 22.728 1.00 4.41 O +ATOM 27 CB LEU B 144 -7.819 -10.426 24.621 1.00 4.18 C +ATOM 28 CG LEU B 144 -7.992 -11.902 24.992 1.00 4.03 C +ATOM 29 CD1 LEU B 144 -6.916 -12.769 24.341 1.00 3.54 C +ATOM 30 CD2 LEU B 144 -7.978 -12.063 26.505 1.00 4.00 C +ATOM 31 N THR B 145 -9.556 -11.418 22.034 1.00 4.31 N +ATOM 32 CA THR B 145 -10.900 -11.812 21.633 1.00 4.32 C +ATOM 33 C THR B 145 -11.048 -13.293 21.947 1.00 4.34 C +ATOM 34 O THR B 145 -10.158 -13.878 22.561 1.00 4.21 O +ATOM 35 CB THR B 145 -11.142 -11.547 20.130 1.00 4.37 C +ATOM 36 OG1 THR B 145 -12.451 -12.002 19.770 1.00 4.64 O +ATOM 37 CG2 THR B 145 -10.105 -12.261 19.269 1.00 4.13 C +ATOM 38 N GLN B 146 -12.166 -13.899 21.554 1.00 4.47 N +ATOM 39 CA GLN B 146 -12.293 -15.357 21.654 1.00 4.65 C +ATOM 40 C GLN B 146 -12.990 -16.000 20.464 1.00 4.57 C +ATOM 41 O GLN B 146 -13.669 -15.335 19.684 1.00 4.66 O +ATOM 42 CB GLN B 146 -12.934 -15.804 22.979 1.00 4.66 C +ATOM 43 CG GLN B 146 -13.932 -14.857 23.616 1.00 5.28 C +ATOM 44 CD GLN B 146 -14.196 -15.214 25.077 1.00 6.11 C +ATOM 45 OE1 GLN B 146 -13.273 -15.573 25.806 1.00 6.70 O +ATOM 46 NE2 GLN B 146 -15.453 -15.114 25.509 1.00 6.17 N +ATOM 47 N THR B 147 -12.783 -17.308 20.342 1.00 4.50 N +ATOM 48 CA THR B 147 -13.239 -18.086 19.200 1.00 4.46 C +ATOM 49 C THR B 147 -13.568 -19.508 19.666 1.00 4.37 C +ATOM 50 O THR B 147 -12.852 -20.074 20.496 1.00 4.36 O +ATOM 51 CB THR B 147 -12.154 -18.110 18.074 1.00 4.51 C +ATOM 52 OG1 THR B 147 -12.757 -18.427 16.812 1.00 5.06 O +ATOM 53 CG2 THR B 147 -11.054 -19.111 18.375 1.00 4.16 C +ATOM 54 N VAL B 148 -14.654 -20.072 19.139 1.00 4.23 N +ATOM 55 CA VAL B 148 -15.107 -21.403 19.546 1.00 4.15 C +ATOM 56 C VAL B 148 -14.142 -22.509 19.081 1.00 4.14 C +ATOM 57 O VAL B 148 -13.571 -22.434 17.991 1.00 4.22 O +ATOM 58 CB VAL B 148 -16.524 -21.690 19.006 1.00 4.16 C +ATOM 59 CG1 VAL B 148 -16.957 -23.106 19.349 1.00 4.33 C +ATOM 60 CG2 VAL B 148 -17.519 -20.679 19.568 1.00 4.06 C +ATOM 61 N LEU B 149 -13.956 -23.518 19.929 1.00 4.00 N +ATOM 62 CA LEU B 149 -13.144 -24.692 19.609 1.00 3.84 C +ATOM 63 C LEU B 149 -13.653 -25.901 20.388 1.00 3.89 C +ATOM 64 O LEU B 149 -13.563 -25.932 21.615 1.00 4.04 O +ATOM 65 CB LEU B 149 -11.677 -24.443 19.963 1.00 3.94 C +ATOM 66 CG LEU B 149 -10.720 -25.599 19.648 1.00 3.59 C +ATOM 67 CD1 LEU B 149 -10.621 -25.794 18.148 1.00 3.21 C +ATOM 68 CD2 LEU B 149 -9.353 -25.354 20.253 1.00 3.66 C +ATOM 69 N GLU B 150 -14.185 -26.890 19.676 1.00 3.91 N +ATOM 70 CA GLU B 150 -14.792 -28.075 20.300 1.00 4.00 C +ATOM 71 C GLU B 150 -15.781 -27.700 21.413 1.00 3.99 C +ATOM 72 O GLU B 150 -15.792 -28.321 22.477 1.00 3.93 O +ATOM 73 CB GLU B 150 -13.708 -29.015 20.848 1.00 4.06 C +ATOM 74 CG GLU B 150 -12.769 -29.590 19.790 1.00 4.20 C +ATOM 75 CD GLU B 150 -13.434 -30.617 18.880 1.00 4.64 C +ATOM 76 OE1 GLU B 150 -14.237 -31.449 19.367 1.00 4.40 O +ATOM 77 OE2 GLU B 150 -13.138 -30.598 17.667 1.00 5.11 O +ATOM 78 N GLY B 151 -16.598 -26.677 21.164 1.00 4.05 N +ATOM 79 CA GLY B 151 -17.604 -26.220 22.131 1.00 4.10 C +ATOM 80 C GLY B 151 -17.110 -25.144 23.088 1.00 4.21 C +ATOM 81 O GLY B 151 -17.848 -24.217 23.421 1.00 4.24 O +ATOM 82 N GLU B 152 -15.863 -25.266 23.533 1.00 4.26 N +ATOM 83 CA GLU B 152 -15.271 -24.301 24.454 1.00 4.36 C +ATOM 84 C GLU B 152 -14.913 -22.998 23.736 1.00 4.27 C +ATOM 85 O GLU B 152 -14.598 -23.002 22.548 1.00 4.22 O +ATOM 86 CB GLU B 152 -14.028 -24.899 25.125 1.00 4.44 C +ATOM 87 CG GLU B 152 -14.322 -26.144 25.974 1.00 5.06 C +ATOM 88 CD GLU B 152 -13.067 -26.751 26.597 1.00 6.27 C +ATOM 89 OE1 GLU B 152 -12.118 -25.990 26.904 1.00 7.15 O +ATOM 90 OE2 GLU B 152 -13.030 -27.988 26.787 1.00 6.54 O +ATOM 91 N SER B 153 -14.986 -21.890 24.469 1.00 4.29 N +ATOM 92 CA SER B 153 -14.634 -20.571 23.949 1.00 4.31 C +ATOM 93 C SER B 153 -13.211 -20.230 24.365 1.00 4.41 C +ATOM 94 O SER B 153 -12.943 -19.971 25.544 1.00 4.62 O +ATOM 95 CB SER B 153 -15.599 -19.517 24.490 1.00 4.39 C +ATOM 96 OG SER B 153 -15.272 -18.232 23.997 1.00 4.75 O +ATOM 97 N ILE B 154 -12.298 -20.244 23.399 1.00 4.40 N +ATOM 98 CA ILE B 154 -10.884 -20.050 23.675 1.00 4.37 C +ATOM 99 C ILE B 154 -10.479 -18.612 23.396 1.00 4.33 C +ATOM 100 O ILE B 154 -10.768 -18.070 22.331 1.00 4.31 O +ATOM 101 CB ILE B 154 -10.012 -21.005 22.827 1.00 4.59 C +ATOM 102 CG1 ILE B 154 -10.442 -22.459 23.053 1.00 4.82 C +ATOM 103 CG2 ILE B 154 -8.534 -20.831 23.161 1.00 4.20 C +ATOM 104 CD1 ILE B 154 -10.532 -22.863 24.519 1.00 4.96 C +ATOM 105 N SER B 155 -9.809 -18.001 24.369 1.00 4.27 N +ATOM 106 CA SER B 155 -9.278 -16.652 24.209 1.00 4.23 C +ATOM 107 C SER B 155 -8.161 -16.661 23.173 1.00 4.11 C +ATOM 108 O SER B 155 -7.377 -17.608 23.114 1.00 4.03 O +ATOM 109 CB SER B 155 -8.771 -16.106 25.546 1.00 4.27 C +ATOM 110 OG SER B 155 -9.857 -15.680 26.347 1.00 4.23 O +ATOM 111 N CYS B 156 -8.108 -15.617 22.346 1.00 4.05 N +ATOM 112 CA CYS B 156 -7.166 -15.580 21.225 1.00 4.04 C +ATOM 113 C CYS B 156 -6.851 -14.166 20.749 1.00 3.80 C +ATOM 114 O CYS B 156 -7.606 -13.231 21.009 1.00 3.42 O +ATOM 115 CB CYS B 156 -7.726 -16.380 20.050 1.00 4.05 C +ATOM 116 SG CYS B 156 -9.162 -15.603 19.274 1.00 4.96 S +ATOM 117 N PHE B 157 -5.733 -14.041 20.029 1.00 3.70 N +ATOM 118 CA PHE B 157 -5.303 -12.773 19.443 1.00 3.49 C +ATOM 119 C PHE B 157 -5.470 -12.764 17.926 1.00 3.62 C +ATOM 120 O PHE B 157 -5.043 -13.696 17.247 1.00 3.66 O +ATOM 121 CB PHE B 157 -3.839 -12.512 19.780 1.00 3.38 C +ATOM 122 CG PHE B 157 -3.593 -12.240 21.225 1.00 2.79 C +ATOM 123 CD1 PHE B 157 -3.063 -13.218 22.051 1.00 2.58 C +ATOM 124 CD2 PHE B 157 -3.893 -11.005 21.761 1.00 2.85 C +ATOM 125 CE1 PHE B 157 -2.832 -12.965 23.389 1.00 2.29 C +ATOM 126 CE2 PHE B 157 -3.672 -10.745 23.100 1.00 3.07 C +ATOM 127 CZ PHE B 157 -3.136 -11.727 23.916 1.00 2.68 C +ATOM 128 N GLN B 158 -6.085 -11.703 17.402 1.00 3.71 N +ATOM 129 CA GLN B 158 -6.211 -11.509 15.959 1.00 3.61 C +ATOM 130 C GLN B 158 -4.936 -10.863 15.434 1.00 3.69 C +ATOM 131 O GLN B 158 -4.779 -9.645 15.482 1.00 3.74 O +ATOM 132 CB GLN B 158 -7.424 -10.633 15.630 1.00 3.60 C +ATOM 133 CG GLN B 158 -7.770 -10.542 14.139 1.00 3.45 C +ATOM 134 CD GLN B 158 -8.363 -11.830 13.585 1.00 3.35 C +ATOM 135 OE1 GLN B 158 -9.317 -12.375 14.134 1.00 3.77 O +ATOM 136 NE2 GLN B 158 -7.803 -12.314 12.488 1.00 3.37 N +ATOM 137 N VAL B 159 -4.025 -11.695 14.942 1.00 3.75 N +ATOM 138 CA VAL B 159 -2.767 -11.231 14.375 1.00 3.74 C +ATOM 139 C VAL B 159 -2.884 -11.305 12.861 1.00 3.88 C +ATOM 140 O VAL B 159 -2.679 -12.364 12.262 1.00 4.03 O +ATOM 141 CB VAL B 159 -1.576 -12.083 14.859 1.00 3.68 C +ATOM 142 CG1 VAL B 159 -0.265 -11.538 14.288 1.00 3.79 C +ATOM 143 CG2 VAL B 159 -1.532 -12.115 16.380 1.00 3.39 C +ATOM 144 N GLY B 160 -3.229 -10.175 12.249 1.00 3.89 N +ATOM 145 CA GLY B 160 -3.485 -10.127 10.815 1.00 3.84 C +ATOM 146 C GLY B 160 -4.698 -10.974 10.482 1.00 3.84 C +ATOM 147 O GLY B 160 -5.751 -10.824 11.102 1.00 3.91 O +ATOM 148 N GLY B 161 -4.538 -11.891 9.532 1.00 3.77 N +ATOM 149 CA GLY B 161 -5.631 -12.765 9.102 1.00 3.70 C +ATOM 150 C GLY B 161 -5.744 -14.060 9.888 1.00 3.64 C +ATOM 151 O GLY B 161 -6.579 -14.904 9.566 1.00 3.57 O +ATOM 152 N GLU B 162 -4.907 -14.221 10.913 1.00 3.65 N +ATOM 153 CA GLU B 162 -4.883 -15.439 11.725 1.00 3.75 C +ATOM 154 C GLU B 162 -5.334 -15.181 13.149 1.00 3.61 C +ATOM 155 O GLU B 162 -5.035 -14.134 13.718 1.00 3.48 O +ATOM 156 CB GLU B 162 -3.465 -16.012 11.808 1.00 3.75 C +ATOM 157 CG GLU B 162 -3.063 -16.906 10.659 1.00 4.25 C +ATOM 158 CD GLU B 162 -1.700 -17.546 10.874 1.00 4.53 C +ATOM 159 OE1 GLU B 162 -1.220 -17.586 12.032 1.00 4.09 O +ATOM 160 OE2 GLU B 162 -1.105 -18.002 9.877 1.00 5.36 O +ATOM 161 N LYS B 163 -6.029 -16.165 13.714 1.00 3.61 N +ATOM 162 CA ALYS B 163 -6.376 -16.177 15.131 0.50 3.71 C +ATOM 163 CA BLYS B 163 -6.360 -16.164 15.133 0.50 3.68 C +ATOM 164 C LYS B 163 -5.409 -17.108 15.865 1.00 3.75 C +ATOM 165 O LYS B 163 -5.306 -18.287 15.524 1.00 3.72 O +ATOM 166 CB ALYS B 163 -7.809 -16.677 15.325 0.50 3.72 C +ATOM 167 CB BLYS B 163 -7.814 -16.582 15.355 0.50 3.66 C +ATOM 168 CG ALYS B 163 -8.871 -15.879 14.581 0.50 3.84 C +ATOM 169 CG BLYS B 163 -8.822 -15.514 14.958 0.50 3.67 C +ATOM 170 CD ALYS B 163 -10.200 -16.625 14.559 0.50 4.05 C +ATOM 171 CD BLYS B 163 -10.222 -15.840 15.464 0.50 3.58 C +ATOM 172 CE ALYS B 163 -11.319 -15.781 13.965 0.50 4.27 C +ATOM 173 CE BLYS B 163 -11.178 -14.686 15.223 0.50 3.45 C +ATOM 174 NZ ALYS B 163 -12.602 -16.538 13.864 0.50 4.21 N +ATOM 175 NZ BLYS B 163 -11.151 -14.232 13.805 0.50 3.46 N +ATOM 176 N ARG B 164 -4.700 -16.577 16.862 1.00 3.86 N +ATOM 177 CA ARG B 164 -3.763 -17.367 17.666 1.00 3.89 C +ATOM 178 C ARG B 164 -4.347 -17.647 19.058 1.00 3.85 C +ATOM 179 O ARG B 164 -4.446 -16.745 19.884 1.00 3.71 O +ATOM 180 CB ARG B 164 -2.432 -16.636 17.802 1.00 3.94 C +ATOM 181 CG ARG B 164 -1.741 -16.314 16.485 1.00 4.14 C +ATOM 182 CD ARG B 164 -0.316 -15.853 16.741 1.00 4.56 C +ATOM 183 NE ARG B 164 0.223 -15.058 15.635 1.00 5.27 N +ATOM 184 CZ ARG B 164 0.776 -15.549 14.528 1.00 5.01 C +ATOM 185 NH1 ARG B 164 1.221 -14.714 13.600 1.00 5.11 N +ATOM 186 NH2 ARG B 164 0.884 -16.862 14.335 1.00 5.33 N +ATOM 187 N LEU B 165 -4.710 -18.906 19.300 1.00 3.87 N +ATOM 188 CA LEU B 165 -5.423 -19.318 20.509 1.00 4.11 C +ATOM 189 C LEU B 165 -4.506 -19.524 21.710 1.00 4.12 C +ATOM 190 O LEU B 165 -3.367 -19.946 21.560 1.00 4.47 O +ATOM 191 CB LEU B 165 -6.206 -20.616 20.251 1.00 4.27 C +ATOM 192 CG LEU B 165 -7.534 -20.505 19.492 1.00 4.07 C +ATOM 193 CD1 LEU B 165 -7.359 -19.839 18.135 1.00 4.39 C +ATOM 194 CD2 LEU B 165 -8.140 -21.882 19.333 1.00 3.87 C +ATOM 195 N CYS B 166 -5.030 -19.231 22.897 1.00 4.06 N +ATOM 196 CA CYS B 166 -4.337 -19.453 24.168 1.00 4.28 C +ATOM 197 C CYS B 166 -4.082 -20.948 24.392 1.00 4.27 C +ATOM 198 O CYS B 166 -5.021 -21.716 24.635 1.00 4.58 O +ATOM 199 CB CYS B 166 -5.190 -18.897 25.315 1.00 4.29 C +ATOM 200 SG CYS B 166 -4.520 -19.134 26.985 1.00 5.51 S +ATOM 201 N LEU B 167 -2.816 -21.351 24.328 1.00 4.15 N +ATOM 202 CA LEU B 167 -2.450 -22.778 24.314 1.00 4.11 C +ATOM 203 C LEU B 167 -2.852 -23.546 25.582 1.00 4.08 C +ATOM 204 O LEU B 167 -3.405 -24.646 25.485 1.00 4.21 O +ATOM 205 CB LEU B 167 -0.948 -22.948 24.045 1.00 4.02 C +ATOM 206 CG LEU B 167 -0.408 -24.370 23.873 1.00 4.00 C +ATOM 207 CD1 LEU B 167 -1.094 -25.087 22.721 1.00 4.00 C +ATOM 208 CD2 LEU B 167 1.108 -24.330 23.662 1.00 3.56 C +ATOM 209 N PRO B 168 -2.585 -22.980 26.772 1.00 3.89 N +ATOM 210 CA PRO B 168 -2.967 -23.715 27.972 1.00 3.84 C +ATOM 211 C PRO B 168 -4.463 -24.024 28.044 1.00 3.86 C +ATOM 212 O PRO B 168 -4.838 -25.052 28.603 1.00 4.06 O +ATOM 213 CB PRO B 168 -2.551 -22.780 29.113 1.00 3.75 C +ATOM 214 CG PRO B 168 -1.560 -21.869 28.532 1.00 3.66 C +ATOM 215 CD PRO B 168 -1.941 -21.699 27.102 1.00 3.89 C +ATOM 216 N GLN B 169 -5.306 -23.155 27.490 1.00 3.88 N +ATOM 217 CA GLN B 169 -6.755 -23.425 27.455 1.00 3.94 C +ATOM 218 C GLN B 169 -7.059 -24.612 26.543 1.00 4.01 C +ATOM 219 O GLN B 169 -7.945 -25.413 26.832 1.00 4.18 O +ATOM 220 CB GLN B 169 -7.556 -22.201 26.988 1.00 3.93 C +ATOM 221 CG GLN B 169 -7.640 -21.067 27.997 1.00 3.91 C +ATOM 222 CD GLN B 169 -8.674 -20.011 27.616 1.00 4.23 C +ATOM 223 OE1 GLN B 169 -8.622 -19.437 26.527 1.00 4.09 O +ATOM 224 NE2 GLN B 169 -9.617 -19.745 28.524 1.00 3.46 N +ATOM 225 N VAL B 170 -6.319 -24.715 25.442 1.00 4.01 N +ATOM 226 CA VAL B 170 -6.495 -25.811 24.493 1.00 3.88 C +ATOM 227 C VAL B 170 -6.015 -27.130 25.092 1.00 4.00 C +ATOM 228 O VAL B 170 -6.739 -28.126 25.065 1.00 4.16 O +ATOM 229 CB VAL B 170 -5.725 -25.552 23.169 1.00 3.82 C +ATOM 230 CG1 VAL B 170 -5.850 -26.744 22.241 1.00 3.74 C +ATOM 231 CG2 VAL B 170 -6.231 -24.288 22.480 1.00 3.16 C +ATOM 232 N LEU B 171 -4.800 -27.127 25.636 1.00 3.95 N +ATOM 233 CA LEU B 171 -4.178 -28.350 26.140 1.00 3.99 C +ATOM 234 C LEU B 171 -4.856 -28.869 27.402 1.00 4.06 C +ATOM 235 O LEU B 171 -5.192 -30.052 27.498 1.00 4.13 O +ATOM 236 CB LEU B 171 -2.692 -28.117 26.444 1.00 4.01 C +ATOM 237 CG LEU B 171 -1.752 -27.761 25.286 1.00 4.18 C +ATOM 238 CD1 LEU B 171 -0.320 -27.630 25.806 1.00 3.84 C +ATOM 239 CD2 LEU B 171 -1.823 -28.792 24.171 1.00 3.90 C +ATOM 240 N ASN B 172 -5.049 -27.984 28.373 1.00 4.06 N +ATOM 241 CA ASN B 172 -5.486 -28.402 29.700 1.00 4.14 C +ATOM 242 C ASN B 172 -7.005 -28.468 29.898 1.00 4.11 C +ATOM 243 O ASN B 172 -7.462 -28.705 31.016 1.00 4.22 O +ATOM 244 CB ASN B 172 -4.834 -27.515 30.771 1.00 4.21 C +ATOM 245 CG ASN B 172 -3.310 -27.665 30.816 1.00 4.59 C +ATOM 246 OD1 ASN B 172 -2.738 -28.606 30.251 1.00 4.84 O +ATOM 247 ND2 ASN B 172 -2.649 -26.734 31.499 1.00 4.53 N +ATOM 248 N SER B 173 -7.787 -28.284 28.834 1.00 4.03 N +ATOM 249 CA SER B 173 -9.236 -28.529 28.915 1.00 4.00 C +ATOM 250 C SER B 173 -9.810 -29.200 27.659 1.00 3.89 C +ATOM 251 O SER B 173 -10.397 -30.281 27.752 1.00 4.06 O +ATOM 252 CB SER B 173 -10.003 -27.245 29.258 1.00 3.94 C +ATOM 253 OG SER B 173 -9.999 -26.331 28.186 1.00 4.31 O +ATOM 254 N VAL B 174 -9.640 -28.582 26.494 1.00 3.64 N +ATOM 255 CA VAL B 174 -10.183 -29.155 25.258 1.00 3.48 C +ATOM 256 C VAL B 174 -9.556 -30.516 24.953 1.00 3.52 C +ATOM 257 O VAL B 174 -10.255 -31.446 24.545 1.00 3.54 O +ATOM 258 CB VAL B 174 -9.978 -28.227 24.038 1.00 3.47 C +ATOM 259 CG1 VAL B 174 -10.486 -28.897 22.766 1.00 3.29 C +ATOM 260 CG2 VAL B 174 -10.672 -26.894 24.252 1.00 3.24 C +ATOM 261 N LEU B 175 -8.241 -30.622 25.150 1.00 3.48 N +ATOM 262 CA LEU B 175 -7.504 -31.863 24.894 1.00 3.46 C +ATOM 263 C LEU B 175 -6.928 -32.464 26.181 1.00 3.43 C +ATOM 264 O LEU B 175 -5.856 -33.068 26.170 1.00 3.32 O +ATOM 265 CB LEU B 175 -6.379 -31.605 23.889 1.00 3.52 C +ATOM 266 CG LEU B 175 -6.793 -30.931 22.579 1.00 3.54 C +ATOM 267 CD1 LEU B 175 -5.571 -30.608 21.745 1.00 3.39 C +ATOM 268 CD2 LEU B 175 -7.760 -31.811 21.802 1.00 3.58 C +ATOM 269 N ARG B 176 -7.656 -32.313 27.284 1.00 3.45 N +ATOM 270 CA ARG B 176 -7.204 -32.815 28.583 1.00 3.49 C +ATOM 271 C ARG B 176 -7.262 -34.344 28.672 1.00 3.55 C +ATOM 272 O ARG B 176 -6.522 -34.946 29.448 1.00 3.60 O +ATOM 273 CB ARG B 176 -8.029 -32.183 29.713 1.00 3.55 C +ATOM 274 CG ARG B 176 -7.594 -32.549 31.136 1.00 3.25 C +ATOM 275 CD ARG B 176 -6.195 -32.042 31.465 1.00 3.08 C +ATOM 276 NE ARG B 176 -5.702 -32.578 32.732 1.00 2.91 N +ATOM 277 CZ ARG B 176 -5.264 -33.824 32.915 1.00 2.60 C +ATOM 278 NH1 ARG B 176 -5.254 -34.701 31.917 1.00 2.43 N +ATOM 279 NH2 ARG B 176 -4.840 -34.202 34.113 1.00 2.65 N +ATOM 280 N GLU B 177 -8.130 -34.967 27.876 1.00 3.65 N +ATOM 281 CA GLU B 177 -8.240 -36.430 27.846 1.00 3.72 C +ATOM 282 C GLU B 177 -7.092 -37.100 27.073 1.00 3.71 C +ATOM 283 O GLU B 177 -7.068 -38.324 26.941 1.00 3.82 O +ATOM 284 CB GLU B 177 -9.589 -36.856 27.254 1.00 3.75 C +ATOM 285 CG GLU B 177 -9.652 -36.811 25.727 1.00 4.24 C +ATOM 286 CD GLU B 177 -11.066 -36.956 25.182 1.00 4.50 C +ATOM 287 OE1 GLU B 177 -11.400 -38.054 24.678 1.00 4.66 O +ATOM 288 OE2 GLU B 177 -11.837 -35.972 25.259 1.00 4.45 O +ATOM 289 N PHE B 178 -6.160 -36.305 26.551 1.00 3.68 N +ATOM 290 CA PHE B 178 -4.979 -36.829 25.867 1.00 3.64 C +ATOM 291 C PHE B 178 -3.712 -36.335 26.560 1.00 3.60 C +ATOM 292 O PHE B 178 -3.634 -35.175 26.962 1.00 3.68 O +ATOM 293 CB PHE B 178 -4.980 -36.396 24.402 1.00 3.63 C +ATOM 294 CG PHE B 178 -6.261 -36.712 23.682 1.00 3.68 C +ATOM 295 CD1 PHE B 178 -6.525 -38.000 23.239 1.00 3.59 C +ATOM 296 CD2 PHE B 178 -7.209 -35.721 23.453 1.00 3.66 C +ATOM 297 CE1 PHE B 178 -7.710 -38.295 22.576 1.00 3.59 C +ATOM 298 CE2 PHE B 178 -8.391 -36.008 22.789 1.00 3.49 C +ATOM 299 CZ PHE B 178 -8.644 -37.296 22.353 1.00 3.48 C +ATOM 300 N THR B 179 -2.728 -37.222 26.694 1.00 3.52 N +ATOM 301 CA THR B 179 -1.480 -36.903 27.389 1.00 3.49 C +ATOM 302 C THR B 179 -0.640 -35.917 26.581 1.00 3.54 C +ATOM 303 O THR B 179 -0.787 -35.827 25.362 1.00 3.47 O +ATOM 304 CB THR B 179 -0.633 -38.176 27.672 1.00 3.56 C +ATOM 305 OG1 THR B 179 -0.102 -38.699 26.446 1.00 3.60 O +ATOM 306 CG2 THR B 179 -1.464 -39.254 28.368 1.00 3.30 C +ATOM 307 N LEU B 180 0.236 -35.180 27.264 1.00 3.59 N +ATOM 308 CA LEU B 180 1.154 -34.253 26.590 1.00 3.65 C +ATOM 309 C LEU B 180 2.032 -34.964 25.557 1.00 3.65 C +ATOM 310 O LEU B 180 2.313 -34.404 24.500 1.00 3.69 O +ATOM 311 CB LEU B 180 2.043 -33.505 27.593 1.00 3.55 C +ATOM 312 CG LEU B 180 1.421 -32.317 28.333 1.00 3.88 C +ATOM 313 CD1 LEU B 180 2.453 -31.685 29.262 1.00 3.75 C +ATOM 314 CD2 LEU B 180 0.855 -31.274 27.369 1.00 3.42 C +ATOM 315 N GLN B 181 2.459 -36.187 25.863 1.00 3.71 N +ATOM 316 CA GLN B 181 3.273 -36.980 24.933 1.00 3.79 C +ATOM 317 C GLN B 181 2.537 -37.206 23.614 1.00 3.73 C +ATOM 318 O GLN B 181 3.101 -36.984 22.543 1.00 3.72 O +ATOM 319 CB GLN B 181 3.667 -38.328 25.557 1.00 3.81 C +ATOM 320 CG GLN B 181 4.448 -39.257 24.624 1.00 4.09 C +ATOM 321 CD GLN B 181 4.985 -40.500 25.329 1.00 4.62 C +ATOM 322 OE1 GLN B 181 5.673 -40.406 26.351 1.00 4.78 O +ATOM 323 NE2 GLN B 181 4.682 -41.673 24.775 1.00 4.73 N +ATOM 324 N GLN B 182 1.276 -37.631 23.703 1.00 3.70 N +ATOM 325 CA AGLN B 182 0.450 -37.911 22.528 0.50 3.73 C +ATOM 326 CA BGLN B 182 0.489 -37.910 22.500 0.50 3.69 C +ATOM 327 C GLN B 182 -0.030 -36.628 21.838 1.00 3.74 C +ATOM 328 O GLN B 182 -0.472 -36.661 20.691 1.00 3.85 O +ATOM 329 CB AGLN B 182 -0.748 -38.778 22.927 0.50 3.72 C +ATOM 330 CB BGLN B 182 -0.650 -38.903 22.782 0.50 3.64 C +ATOM 331 CG AGLN B 182 -1.466 -39.434 21.756 0.50 3.85 C +ATOM 332 CG BGLN B 182 -1.762 -38.400 23.680 0.50 3.59 C +ATOM 333 CD AGLN B 182 -2.556 -40.386 22.201 0.50 4.06 C +ATOM 334 CD BGLN B 182 -2.833 -39.450 23.919 0.50 3.37 C +ATOM 335 OE1AGLN B 182 -2.608 -40.792 23.364 0.50 4.11 O +ATOM 336 OE1BGLN B 182 -3.061 -39.874 25.051 0.50 2.81 O +ATOM 337 NE2AGLN B 182 -3.439 -40.747 21.275 0.50 4.06 N +ATOM 338 NE2BGLN B 182 -3.492 -39.878 22.848 0.50 3.46 N +ATOM 339 N ILE B 183 0.036 -35.501 22.547 1.00 3.77 N +ATOM 340 CA ILE B 183 -0.262 -34.195 21.946 1.00 3.77 C +ATOM 341 C ILE B 183 0.915 -33.745 21.076 1.00 3.74 C +ATOM 342 O ILE B 183 0.725 -33.263 19.958 1.00 3.83 O +ATOM 343 CB ILE B 183 -0.532 -33.104 23.010 1.00 3.87 C +ATOM 344 CG1 ILE B 183 -1.898 -33.310 23.672 1.00 4.07 C +ATOM 345 CG2 ILE B 183 -0.470 -31.712 22.381 1.00 3.80 C +ATOM 346 CD1 ILE B 183 -3.066 -32.900 22.805 1.00 4.44 C +ATOM 347 N ASN B 184 2.128 -33.900 21.601 1.00 3.60 N +ATOM 348 CA ASN B 184 3.341 -33.510 20.882 1.00 3.55 C +ATOM 349 C ASN B 184 3.652 -34.438 19.707 1.00 3.53 C +ATOM 350 O ASN B 184 4.194 -33.998 18.693 1.00 3.42 O +ATOM 351 CB ASN B 184 4.542 -33.452 21.837 1.00 3.50 C +ATOM 352 CG ASN B 184 4.472 -32.277 22.806 1.00 3.40 C +ATOM 353 OD1 ASN B 184 3.908 -31.227 22.497 1.00 3.39 O +ATOM 354 ND2 ASN B 184 5.060 -32.450 23.982 1.00 3.29 N +ATOM 355 N THR B 185 3.312 -35.718 19.847 1.00 3.52 N +ATOM 356 CA THR B 185 3.515 -36.687 18.771 1.00 3.48 C +ATOM 357 C THR B 185 2.682 -36.315 17.545 1.00 3.46 C +ATOM 358 O THR B 185 3.176 -36.356 16.420 1.00 3.47 O +ATOM 359 CB THR B 185 3.159 -38.123 19.216 1.00 3.52 C +ATOM 360 OG1 THR B 185 3.979 -38.505 20.327 1.00 3.49 O +ATOM 361 CG2 THR B 185 3.373 -39.111 18.074 1.00 3.49 C +ATOM 362 N VAL B 186 1.423 -35.949 17.775 1.00 3.42 N +ATOM 363 CA VAL B 186 0.533 -35.501 16.702 1.00 3.40 C +ATOM 364 C VAL B 186 1.014 -34.182 16.085 1.00 3.46 C +ATOM 365 O VAL B 186 0.920 -33.993 14.873 1.00 3.44 O +ATOM 366 CB VAL B 186 -0.923 -35.349 17.207 1.00 3.33 C +ATOM 367 CG1 VAL B 186 -1.788 -34.651 16.173 1.00 3.20 C +ATOM 368 CG2 VAL B 186 -1.504 -36.710 17.550 1.00 3.06 C +ATOM 369 N CYS B 187 1.537 -33.286 16.920 1.00 3.54 N +ATOM 370 CA CYS B 187 2.041 -31.985 16.460 1.00 3.55 C +ATOM 371 C CYS B 187 3.246 -32.114 15.535 1.00 3.63 C +ATOM 372 O CYS B 187 3.282 -31.503 14.469 1.00 3.64 O +ATOM 373 CB CYS B 187 2.410 -31.094 17.648 1.00 3.57 C +ATOM 374 SG CYS B 187 1.005 -30.276 18.415 1.00 3.22 S +ATOM 375 N ASP B 188 4.230 -32.903 15.956 1.00 3.76 N +ATOM 376 CA ASP B 188 5.422 -33.166 15.145 1.00 3.81 C +ATOM 377 C ASP B 188 5.062 -33.887 13.849 1.00 3.78 C +ATOM 378 O ASP B 188 5.675 -33.652 12.807 1.00 3.78 O +ATOM 379 CB ASP B 188 6.437 -34.002 15.933 1.00 3.87 C +ATOM 380 CG ASP B 188 7.029 -33.248 17.111 1.00 4.22 C +ATOM 381 OD1 ASP B 188 8.147 -33.603 17.542 1.00 4.89 O +ATOM 382 OD2 ASP B 188 6.381 -32.298 17.605 1.00 4.56 O +ATOM 383 N GLU B 189 4.061 -34.760 13.932 1.00 3.75 N +ATOM 384 CA GLU B 189 3.588 -35.538 12.787 1.00 3.76 C +ATOM 385 C GLU B 189 2.808 -34.675 11.792 1.00 3.66 C +ATOM 386 O GLU B 189 2.996 -34.796 10.579 1.00 3.50 O +ATOM 387 CB GLU B 189 2.723 -36.697 13.284 1.00 3.83 C +ATOM 388 CG GLU B 189 2.254 -37.653 12.202 1.00 4.29 C +ATOM 389 CD GLU B 189 1.779 -38.988 12.761 1.00 4.90 C +ATOM 390 OE1 GLU B 189 1.467 -39.062 13.975 1.00 4.39 O +ATOM 391 OE2 GLU B 189 1.723 -39.964 11.973 1.00 5.41 O +ATOM 392 N LEU B 190 1.936 -33.810 12.311 1.00 3.54 N +ATOM 393 CA LEU B 190 1.180 -32.869 11.479 1.00 3.50 C +ATOM 394 C LEU B 190 1.952 -31.574 11.209 1.00 3.46 C +ATOM 395 O LEU B 190 1.449 -30.688 10.519 1.00 3.42 O +ATOM 396 CB LEU B 190 -0.155 -32.523 12.144 1.00 3.50 C +ATOM 397 CG LEU B 190 -1.141 -33.667 12.381 1.00 3.46 C +ATOM 398 CD1 LEU B 190 -2.294 -33.174 13.245 1.00 3.39 C +ATOM 399 CD2 LEU B 190 -1.652 -34.246 11.070 1.00 3.14 C +ATOM 400 N TYR B 191 3.161 -31.467 11.759 1.00 3.46 N +ATOM 401 CA TYR B 191 4.007 -30.276 11.605 1.00 3.51 C +ATOM 402 C TYR B 191 3.326 -29.004 12.134 1.00 3.52 C +ATOM 403 O TYR B 191 3.370 -27.950 11.496 1.00 3.50 O +ATOM 404 CB TYR B 191 4.455 -30.109 10.143 1.00 3.52 C +ATOM 405 CG TYR B 191 5.285 -31.270 9.631 1.00 3.60 C +ATOM 406 CD1 TYR B 191 6.659 -31.320 9.853 1.00 3.68 C +ATOM 407 CD2 TYR B 191 4.697 -32.317 8.923 1.00 3.64 C +ATOM 408 CE1 TYR B 191 7.428 -32.383 9.389 1.00 3.58 C +ATOM 409 CE2 TYR B 191 5.460 -33.388 8.453 1.00 3.45 C +ATOM 410 CZ TYR B 191 6.824 -33.412 8.692 1.00 3.53 C +ATOM 411 OH TYR B 191 7.589 -34.462 8.234 1.00 3.57 O +ATOM 412 N ILE B 192 2.699 -29.125 13.305 1.00 3.54 N +ATOM 413 CA ILE B 192 2.103 -27.994 14.015 1.00 3.53 C +ATOM 414 C ILE B 192 3.130 -27.397 14.971 1.00 3.61 C +ATOM 415 O ILE B 192 3.657 -28.111 15.827 1.00 3.62 O +ATOM 416 CB ILE B 192 0.877 -28.433 14.845 1.00 3.57 C +ATOM 417 CG1 ILE B 192 -0.254 -28.899 13.931 1.00 3.53 C +ATOM 418 CG2 ILE B 192 0.385 -27.295 15.739 1.00 3.31 C +ATOM 419 CD1 ILE B 192 -1.372 -29.598 14.670 1.00 3.25 C +ATOM 420 N TYR B 193 3.400 -26.097 14.822 1.00 3.65 N +ATOM 421 CA ATYR B 193 4.361 -25.377 15.673 0.50 3.71 C +ATOM 422 CA BTYR B 193 4.350 -25.396 15.680 0.50 3.68 C +ATOM 423 C TYR B 193 3.679 -24.226 16.403 1.00 3.74 C +ATOM 424 O TYR B 193 3.049 -23.372 15.777 1.00 3.86 O +ATOM 425 CB ATYR B 193 5.531 -24.815 14.854 0.50 3.71 C +ATOM 426 CB BTYR B 193 5.535 -24.910 14.849 0.50 3.64 C +ATOM 427 CG ATYR B 193 6.276 -23.697 15.569 0.50 3.80 C +ATOM 428 CG BTYR B 193 6.232 -26.021 14.092 0.50 3.55 C +ATOM 429 CD1ATYR B 193 5.942 -22.362 15.354 0.50 4.00 C +ATOM 430 CD1BTYR B 193 7.324 -26.682 14.640 0.50 3.44 C +ATOM 431 CD2ATYR B 193 7.289 -23.977 16.478 0.50 3.80 C +ATOM 432 CD2BTYR B 193 5.801 -26.405 12.828 0.50 3.29 C +ATOM 433 CE1ATYR B 193 6.603 -21.341 16.014 0.50 4.01 C +ATOM 434 CE1BTYR B 193 7.964 -27.692 13.954 0.50 3.34 C +ATOM 435 CE2ATYR B 193 7.957 -22.962 17.142 0.50 3.78 C +ATOM 436 CE2BTYR B 193 6.437 -27.414 12.136 0.50 3.33 C +ATOM 437 CZ ATYR B 193 7.610 -21.646 16.904 0.50 3.96 C +ATOM 438 CZ BTYR B 193 7.516 -28.053 12.704 0.50 3.26 C +ATOM 439 OH ATYR B 193 8.269 -20.630 17.559 0.50 3.97 O +ATOM 440 OH BTYR B 193 8.154 -29.060 12.022 0.50 3.33 O +ATOM 441 N CYS B 194 3.828 -24.189 17.724 1.00 3.76 N +ATOM 442 CA CYS B 194 3.206 -23.153 18.542 1.00 3.89 C +ATOM 443 C CYS B 194 4.155 -21.982 18.771 1.00 3.80 C +ATOM 444 O CYS B 194 5.323 -22.183 19.094 1.00 3.82 O +ATOM 445 CB CYS B 194 2.775 -23.742 19.882 1.00 3.83 C +ATOM 446 SG CYS B 194 1.719 -25.189 19.693 1.00 4.46 S +ATOM 447 N SER B 195 3.644 -20.765 18.601 1.00 3.69 N +ATOM 448 CA SER B 195 4.429 -19.563 18.849 1.00 3.71 C +ATOM 449 C SER B 195 4.337 -19.171 20.324 1.00 3.83 C +ATOM 450 O SER B 195 3.642 -19.820 21.110 1.00 3.95 O +ATOM 451 CB SER B 195 3.978 -18.411 17.934 1.00 3.64 C +ATOM 452 OG SER B 195 2.695 -17.911 18.277 1.00 3.80 O +ATOM 453 N ARG B 196 5.046 -18.108 20.688 1.00 3.91 N +ATOM 454 CA ARG B 196 5.115 -17.637 22.067 1.00 3.84 C +ATOM 455 C ARG B 196 4.509 -16.237 22.187 1.00 3.75 C +ATOM 456 O ARG B 196 4.713 -15.391 21.323 1.00 3.70 O +ATOM 457 CB ARG B 196 6.579 -17.633 22.525 1.00 3.92 C +ATOM 458 CG ARG B 196 6.798 -17.099 23.926 1.00 4.30 C +ATOM 459 CD ARG B 196 7.969 -17.777 24.627 0.70 4.69 C +ATOM 460 NE ARG B 196 7.619 -19.125 25.087 0.70 5.07 N +ATOM 461 CZ ARG B 196 8.237 -19.787 26.067 0.70 5.35 C +ATOM 462 NH1 ARG B 196 9.261 -19.245 26.728 0.70 5.46 N +ATOM 463 NH2 ARG B 196 7.824 -21.008 26.397 0.70 5.30 N +ATOM 464 N CYS B 197 3.753 -16.005 23.257 1.00 3.83 N +ATOM 465 CA CYS B 197 3.192 -14.684 23.534 1.00 3.89 C +ATOM 466 C CYS B 197 4.290 -13.639 23.686 1.00 3.71 C +ATOM 467 O CYS B 197 5.347 -13.917 24.244 1.00 3.76 O +ATOM 468 CB CYS B 197 2.358 -14.698 24.820 1.00 3.94 C +ATOM 469 SG CYS B 197 0.662 -15.310 24.643 1.00 5.12 S +ATOM 470 N THR B 198 4.024 -12.435 23.187 1.00 3.55 N +ATOM 471 CA THR B 198 4.856 -11.275 23.486 1.00 3.32 C +ATOM 472 C THR B 198 4.607 -10.841 24.927 1.00 3.28 C +ATOM 473 O THR B 198 3.662 -11.300 25.566 1.00 3.23 O +ATOM 474 CB THR B 198 4.529 -10.085 22.562 1.00 3.34 C +ATOM 475 OG1 THR B 198 3.158 -9.703 22.737 1.00 2.84 O +ATOM 476 CG2 THR B 198 4.779 -10.447 21.100 1.00 2.94 C +ATOM 477 N SER B 199 5.460 -9.955 25.429 1.00 3.25 N +ATOM 478 CA ASER B 199 5.318 -9.419 26.778 0.50 3.23 C +ATOM 479 CA BSER B 199 5.310 -9.423 26.785 0.50 3.23 C +ATOM 480 C SER B 199 3.913 -8.848 26.994 1.00 3.21 C +ATOM 481 O SER B 199 3.263 -9.134 28.000 1.00 3.04 O +ATOM 482 CB ASER B 199 6.365 -8.332 27.023 0.50 3.19 C +ATOM 483 CB BSER B 199 6.359 -8.347 27.076 0.50 3.19 C +ATOM 484 OG ASER B 199 6.440 -8.000 28.395 0.50 3.39 O +ATOM 485 OG BSER B 199 7.557 -8.930 27.553 0.50 3.38 O +ATOM 486 N ASP B 200 3.463 -8.045 26.035 1.00 3.16 N +ATOM 487 CA ASP B 200 2.162 -7.387 26.104 1.00 3.20 C +ATOM 488 C ASP B 200 1.006 -8.372 26.000 1.00 3.16 C +ATOM 489 O ASP B 200 -0.009 -8.207 26.674 1.00 3.05 O +ATOM 490 CB ASP B 200 2.032 -6.337 24.994 1.00 3.26 C +ATOM 491 CG ASP B 200 3.018 -5.190 25.148 1.00 3.19 C +ATOM 492 OD1 ASP B 200 3.529 -4.976 26.270 1.00 3.03 O +ATOM 493 OD2 ASP B 200 3.274 -4.495 24.142 1.00 3.22 O +ATOM 494 N GLN B 201 1.159 -9.382 25.147 1.00 3.11 N +ATOM 495 CA GLN B 201 0.134 -10.411 24.972 1.00 3.09 C +ATOM 496 C GLN B 201 -0.054 -11.223 26.250 1.00 3.11 C +ATOM 497 O GLN B 201 -1.182 -11.451 26.683 1.00 3.33 O +ATOM 498 CB GLN B 201 0.480 -11.334 23.797 1.00 3.05 C +ATOM 499 CG GLN B 201 0.145 -10.733 22.440 1.00 3.00 C +ATOM 500 CD GLN B 201 0.681 -11.537 21.271 1.00 2.83 C +ATOM 501 OE1 GLN B 201 1.626 -12.314 21.411 1.00 3.15 O +ATOM 502 NE2 GLN B 201 0.082 -11.344 20.100 1.00 2.23 N +ATOM 503 N LEU B 202 1.055 -11.647 26.850 1.00 3.09 N +ATOM 504 CA LEU B 202 1.034 -12.393 28.109 1.00 3.00 C +ATOM 505 C LEU B 202 0.333 -11.601 29.211 1.00 3.08 C +ATOM 506 O LEU B 202 -0.466 -12.154 29.972 1.00 3.06 O +ATOM 507 CB LEU B 202 2.466 -12.726 28.549 1.00 2.98 C +ATOM 508 CG LEU B 202 2.645 -13.479 29.871 1.00 2.63 C +ATOM 509 CD1 LEU B 202 2.125 -14.900 29.749 1.00 2.14 C +ATOM 510 CD2 LEU B 202 4.106 -13.473 30.304 1.00 2.12 C +ATOM 511 N HIS B 203 0.626 -10.307 29.286 1.00 3.11 N +ATOM 512 CA HIS B 203 0.144 -9.487 30.392 1.00 3.14 C +ATOM 513 C HIS B 203 -1.368 -9.272 30.377 1.00 3.26 C +ATOM 514 O HIS B 203 -2.001 -9.271 31.438 1.00 3.24 O +ATOM 515 CB HIS B 203 0.852 -8.130 30.439 1.00 3.03 C +ATOM 516 CG HIS B 203 0.562 -7.357 31.689 1.00 2.68 C +ATOM 517 ND1 HIS B 203 -0.418 -6.392 31.757 1.00 2.00 N +ATOM 518 CD2 HIS B 203 1.098 -7.436 32.930 1.00 2.27 C +ATOM 519 CE1 HIS B 203 -0.458 -5.895 32.980 1.00 2.00 C +ATOM 520 NE2 HIS B 203 0.449 -6.513 33.712 1.00 2.00 N +ATOM 521 N ILE B 204 -1.950 -9.086 29.194 1.00 3.33 N +ATOM 522 CA AILE B 204 -3.394 -8.843 29.109 0.50 3.44 C +ATOM 523 CA BILE B 204 -3.391 -8.848 29.078 0.50 3.39 C +ATOM 524 C ILE B 204 -4.193 -10.125 29.367 1.00 3.40 C +ATOM 525 O ILE B 204 -5.323 -10.064 29.842 1.00 3.38 O +ATOM 526 CB AILE B 204 -3.825 -8.180 27.776 0.50 3.49 C +ATOM 527 CB BILE B 204 -3.756 -8.273 27.689 0.50 3.38 C +ATOM 528 CG1AILE B 204 -3.813 -9.166 26.611 0.50 3.56 C +ATOM 529 CG1BILE B 204 -5.194 -7.747 27.688 0.50 3.25 C +ATOM 530 CG2AILE B 204 -2.933 -6.997 27.453 0.50 3.51 C +ATOM 531 CG2BILE B 204 -3.552 -9.315 26.596 0.50 3.36 C +ATOM 532 CD1AILE B 204 -4.723 -8.732 25.504 0.50 3.87 C +ATOM 533 CD1BILE B 204 -5.497 -6.838 26.525 0.50 3.13 C +ATOM 534 N LEU B 205 -3.600 -11.282 29.068 1.00 3.37 N +ATOM 535 CA LEU B 205 -4.224 -12.570 29.393 1.00 3.27 C +ATOM 536 C LEU B 205 -4.363 -12.715 30.911 1.00 3.18 C +ATOM 537 O LEU B 205 -5.299 -13.350 31.393 1.00 3.45 O +ATOM 538 CB LEU B 205 -3.415 -13.749 28.819 1.00 3.23 C +ATOM 539 CG LEU B 205 -3.480 -14.003 27.307 1.00 2.83 C +ATOM 540 CD1 LEU B 205 -2.393 -14.970 26.882 1.00 2.75 C +ATOM 541 CD2 LEU B 205 -4.837 -14.533 26.889 1.00 2.07 C +ATOM 542 N LYS B 206 -3.435 -12.117 31.654 1.00 3.02 N +ATOM 543 CA LYS B 206 -3.507 -12.087 33.114 1.00 3.01 C +ATOM 544 C LYS B 206 -4.570 -11.090 33.590 1.00 3.07 C +ATOM 545 O LYS B 206 -5.436 -11.428 34.401 1.00 2.84 O +ATOM 546 CB LYS B 206 -2.145 -11.734 33.715 1.00 2.97 C +ATOM 547 CG LYS B 206 -1.076 -12.806 33.494 1.00 2.83 C +ATOM 548 CD LYS B 206 0.324 -12.287 33.777 1.00 2.53 C +ATOM 549 CE LYS B 206 1.380 -13.388 33.618 1.00 2.16 C +ATOM 550 NZ LYS B 206 2.725 -12.949 34.072 1.00 2.00 N +ATOM 551 N VAL B 207 -4.499 -9.870 33.068 1.00 3.04 N +ATOM 552 CA VAL B 207 -5.409 -8.794 33.454 1.00 2.86 C +ATOM 553 C VAL B 207 -6.867 -9.153 33.159 1.00 2.98 C +ATOM 554 O VAL B 207 -7.751 -8.908 33.980 1.00 2.82 O +ATOM 555 CB VAL B 207 -5.027 -7.481 32.743 1.00 2.90 C +ATOM 556 CG1 VAL B 207 -6.079 -6.410 32.939 1.00 2.28 C +ATOM 557 CG2 VAL B 207 -3.664 -6.995 33.234 1.00 2.81 C +ATOM 558 N LEU B 208 -7.114 -9.756 32.000 1.00 3.01 N +ATOM 559 CA LEU B 208 -8.470 -10.165 31.623 1.00 2.95 C +ATOM 560 C LEU B 208 -8.848 -11.545 32.166 1.00 2.95 C +ATOM 561 O LEU B 208 -9.796 -12.165 31.695 1.00 2.88 O +ATOM 562 CB LEU B 208 -8.638 -10.115 30.105 1.00 2.89 C +ATOM 563 CG LEU B 208 -8.509 -8.718 29.502 1.00 2.80 C +ATOM 564 CD1 LEU B 208 -8.566 -8.791 27.988 1.00 2.66 C +ATOM 565 CD2 LEU B 208 -9.589 -7.795 30.039 1.00 2.27 C +ATOM 566 N GLY B 209 -8.095 -12.025 33.149 1.00 3.15 N +ATOM 567 CA GLY B 209 -8.512 -13.159 33.972 1.00 3.28 C +ATOM 568 C GLY B 209 -8.286 -14.554 33.419 1.00 3.45 C +ATOM 569 O GLY B 209 -8.708 -15.529 34.040 1.00 3.43 O +ATOM 570 N ILE B 210 -7.604 -14.661 32.278 1.00 3.54 N +ATOM 571 CA ILE B 210 -7.434 -15.946 31.601 1.00 3.64 C +ATOM 572 C ILE B 210 -6.300 -16.765 32.198 1.00 3.83 C +ATOM 573 O ILE B 210 -6.475 -17.957 32.473 1.00 4.23 O +ATOM 574 CB ILE B 210 -7.165 -15.760 30.091 1.00 3.73 C +ATOM 575 CG1 ILE B 210 -8.305 -14.963 29.436 1.00 3.72 C +ATOM 576 CG2 ILE B 210 -6.972 -17.113 29.411 1.00 3.66 C +ATOM 577 CD1 ILE B 210 -9.719 -15.458 29.781 1.00 2.70 C +ATOM 578 N LEU B 211 -5.142 -16.131 32.388 1.00 3.59 N +ATOM 579 CA LEU B 211 -3.974 -16.793 32.953 1.00 3.46 C +ATOM 580 C LEU B 211 -3.691 -16.336 34.386 1.00 3.37 C +ATOM 581 O LEU B 211 -4.016 -15.204 34.760 1.00 3.17 O +ATOM 582 CB LEU B 211 -2.729 -16.516 32.094 1.00 3.60 C +ATOM 583 CG LEU B 211 -2.652 -17.141 30.697 1.00 3.52 C +ATOM 584 CD1 LEU B 211 -1.269 -16.922 30.084 1.00 3.61 C +ATOM 585 CD2 LEU B 211 -2.982 -18.621 30.739 1.00 3.67 C +ATOM 586 N PRO B 212 -3.067 -17.214 35.192 1.00 3.20 N +ATOM 587 CA PRO B 212 -2.599 -16.800 36.505 1.00 3.22 C +ATOM 588 C PRO B 212 -1.431 -15.828 36.379 1.00 3.24 C +ATOM 589 O PRO B 212 -0.618 -15.955 35.456 1.00 3.16 O +ATOM 590 CB PRO B 212 -2.152 -18.114 37.152 1.00 3.38 C +ATOM 591 CG PRO B 212 -1.835 -19.013 36.028 1.00 3.34 C +ATOM 592 CD PRO B 212 -2.725 -18.617 34.896 1.00 3.19 C +ATOM 593 N PHE B 213 -1.350 -14.873 37.301 1.00 3.19 N +ATOM 594 CA PHE B 213 -0.371 -13.786 37.207 1.00 3.31 C +ATOM 595 C PHE B 213 1.095 -14.231 37.308 1.00 3.28 C +ATOM 596 O PHE B 213 1.976 -13.499 36.882 1.00 3.24 O +ATOM 597 CB PHE B 213 -0.662 -12.687 38.240 1.00 3.26 C +ATOM 598 CG PHE B 213 -1.538 -11.578 37.716 1.00 3.17 C +ATOM 599 CD1 PHE B 213 -2.919 -11.678 37.776 1.00 3.03 C +ATOM 600 CD2 PHE B 213 -0.977 -10.434 37.172 1.00 2.92 C +ATOM 601 CE1 PHE B 213 -3.725 -10.661 37.298 1.00 3.24 C +ATOM 602 CE2 PHE B 213 -1.775 -9.409 36.691 1.00 2.87 C +ATOM 603 CZ PHE B 213 -3.151 -9.523 36.755 1.00 3.51 C +ATOM 604 N ASN B 214 1.350 -15.412 37.870 1.00 3.40 N +ATOM 605 CA ASN B 214 2.714 -15.953 37.934 1.00 3.51 C +ATOM 606 C ASN B 214 3.227 -16.493 36.604 1.00 3.59 C +ATOM 607 O ASN B 214 4.440 -16.661 36.439 1.00 3.91 O +ATOM 608 CB ASN B 214 2.821 -17.058 38.991 1.00 3.44 C +ATOM 609 CG ASN B 214 2.828 -16.517 40.411 1.00 3.39 C +ATOM 610 OD1 ASN B 214 2.753 -15.307 40.631 1.00 3.83 O +ATOM 611 ND2 ASN B 214 2.913 -17.415 41.382 1.00 2.70 N +ATOM 612 N ALA B 215 2.320 -16.775 35.670 1.00 3.57 N +ATOM 613 CA ALA B 215 2.690 -17.365 34.378 1.00 3.60 C +ATOM 614 C ALA B 215 3.920 -16.673 33.789 1.00 3.63 C +ATOM 615 O ALA B 215 3.857 -15.495 33.451 1.00 3.58 O +ATOM 616 CB ALA B 215 1.526 -17.281 33.400 1.00 3.53 C +ATOM 617 N PRO B 216 5.046 -17.400 33.677 1.00 3.75 N +ATOM 618 CA PRO B 216 6.266 -16.795 33.158 1.00 3.72 C +ATOM 619 C PRO B 216 6.203 -16.555 31.651 1.00 3.76 C +ATOM 620 O PRO B 216 6.883 -15.662 31.142 1.00 3.87 O +ATOM 621 CB PRO B 216 7.338 -17.829 33.506 1.00 3.69 C +ATOM 622 CG PRO B 216 6.626 -19.116 33.520 1.00 3.51 C +ATOM 623 CD PRO B 216 5.229 -18.835 33.968 1.00 3.85 C +ATOM 624 N SER B 217 5.396 -17.354 30.957 1.00 3.76 N +ATOM 625 CA SER B 217 5.216 -17.231 29.513 1.00 3.78 C +ATOM 626 C SER B 217 3.923 -17.920 29.089 1.00 3.81 C +ATOM 627 O SER B 217 3.203 -18.466 29.927 1.00 4.07 O +ATOM 628 CB SER B 217 6.404 -17.858 28.787 1.00 3.89 C +ATOM 629 OG SER B 217 6.447 -19.253 29.022 1.00 4.17 O +ATOM 630 N CYS B 218 3.614 -17.881 27.797 1.00 3.81 N +ATOM 631 CA CYS B 218 2.410 -18.535 27.285 1.00 3.83 C +ATOM 632 C CYS B 218 2.476 -18.796 25.787 1.00 3.62 C +ATOM 633 O CYS B 218 2.755 -17.892 25.001 1.00 3.58 O +ATOM 634 CB CYS B 218 1.177 -17.690 27.585 1.00 3.95 C +ATOM 635 SG CYS B 218 -0.382 -18.491 27.137 1.00 5.08 S +ATOM 636 N GLY B 219 2.192 -20.035 25.403 1.00 3.54 N +ATOM 637 CA GLY B 219 2.208 -20.441 24.004 1.00 3.55 C +ATOM 638 C GLY B 219 0.938 -20.087 23.249 1.00 3.57 C +ATOM 639 O GLY B 219 -0.132 -19.907 23.850 1.00 3.41 O +ATOM 640 N LEU B 220 1.064 -19.986 21.924 1.00 3.48 N +ATOM 641 CA LEU B 220 -0.080 -19.712 21.043 1.00 3.32 C +ATOM 642 C LEU B 220 -0.138 -20.713 19.889 1.00 3.24 C +ATOM 643 O LEU B 220 0.890 -21.051 19.294 1.00 3.08 O +ATOM 644 CB LEU B 220 0.001 -18.294 20.475 1.00 3.17 C +ATOM 645 CG LEU B 220 -0.019 -17.125 21.457 1.00 3.07 C +ATOM 646 CD1 LEU B 220 0.328 -15.837 20.732 1.00 2.00 C +ATOM 647 CD2 LEU B 220 -1.384 -17.015 22.175 1.00 2.83 C +ATOM 648 N ILE B 221 -1.347 -21.176 19.579 1.00 3.08 N +ATOM 649 CA ILE B 221 -1.582 -22.088 18.460 1.00 3.02 C +ATOM 650 C ILE B 221 -2.604 -21.452 17.518 1.00 3.15 C +ATOM 651 O ILE B 221 -3.542 -20.824 17.975 1.00 3.30 O +ATOM 652 CB ILE B 221 -2.063 -23.472 18.962 1.00 2.92 C +ATOM 653 CG1 ILE B 221 -2.205 -24.456 17.798 1.00 2.54 C +ATOM 654 CG2 ILE B 221 -3.377 -23.353 19.754 1.00 2.80 C +ATOM 655 CD1 ILE B 221 -2.356 -25.896 18.246 1.00 2.10 C +ATOM 656 N THR B 222 -2.409 -21.592 16.208 1.00 3.36 N +ATOM 657 CA THR B 222 -3.342 -21.005 15.236 1.00 3.37 C +ATOM 658 C THR B 222 -4.653 -21.781 15.256 1.00 3.44 C +ATOM 659 O THR B 222 -4.666 -22.973 15.559 1.00 3.45 O +ATOM 660 CB THR B 222 -2.782 -21.002 13.786 1.00 3.45 C +ATOM 661 OG1 THR B 222 -2.714 -22.342 13.280 1.00 3.30 O +ATOM 662 CG2 THR B 222 -1.397 -20.354 13.725 1.00 3.18 C +ATOM 663 N LEU B 223 -5.754 -21.105 14.940 1.00 3.53 N +ATOM 664 CA LEU B 223 -7.065 -21.755 14.910 1.00 3.59 C +ATOM 665 C LEU B 223 -7.029 -22.959 13.969 1.00 3.65 C +ATOM 666 O LEU B 223 -7.506 -24.043 14.307 1.00 3.74 O +ATOM 667 CB LEU B 223 -8.158 -20.769 14.476 1.00 3.51 C +ATOM 668 CG LEU B 223 -9.567 -21.347 14.291 1.00 3.56 C +ATOM 669 CD1 LEU B 223 -10.031 -22.092 15.540 1.00 3.47 C +ATOM 670 CD2 LEU B 223 -10.553 -20.251 13.924 1.00 3.45 C +ATOM 671 N THR B 224 -6.442 -22.762 12.795 1.00 3.71 N +ATOM 672 CA THR B 224 -6.318 -23.830 11.810 1.00 3.80 C +ATOM 673 C THR B 224 -5.584 -25.041 12.391 1.00 3.86 C +ATOM 674 O THR B 224 -6.118 -26.152 12.386 1.00 3.84 O +ATOM 675 CB THR B 224 -5.602 -23.332 10.542 1.00 3.73 C +ATOM 676 OG1 THR B 224 -6.391 -22.305 9.929 1.00 3.48 O +ATOM 677 CG2 THR B 224 -5.397 -24.469 9.556 1.00 3.67 C +ATOM 678 N ASP B 225 -4.373 -24.817 12.901 1.00 3.88 N +ATOM 679 CA ASP B 225 -3.587 -25.892 13.526 1.00 3.87 C +ATOM 680 C ASP B 225 -4.310 -26.532 14.708 1.00 3.75 C +ATOM 681 O ASP B 225 -4.214 -27.743 14.922 1.00 3.63 O +ATOM 682 CB ASP B 225 -2.226 -25.376 14.001 1.00 3.97 C +ATOM 683 CG ASP B 225 -1.237 -25.171 12.863 1.00 4.09 C +ATOM 684 OD1 ASP B 225 -1.326 -25.874 11.831 1.00 4.61 O +ATOM 685 OD2 ASP B 225 -0.353 -24.303 13.012 1.00 4.21 O +ATOM 686 N ALA B 226 -5.024 -25.712 15.473 1.00 3.69 N +ATOM 687 CA ALA B 226 -5.763 -26.194 16.634 1.00 3.60 C +ATOM 688 C ALA B 226 -6.866 -27.153 16.191 1.00 3.61 C +ATOM 689 O ALA B 226 -7.088 -28.196 16.819 1.00 3.54 O +ATOM 690 CB ALA B 226 -6.345 -25.023 17.410 1.00 3.61 C +ATOM 691 N GLN B 227 -7.543 -26.795 15.101 1.00 3.54 N +ATOM 692 CA GLN B 227 -8.610 -27.620 14.540 1.00 3.49 C +ATOM 693 C GLN B 227 -8.069 -28.920 13.942 1.00 3.46 C +ATOM 694 O GLN B 227 -8.716 -29.962 14.051 1.00 3.47 O +ATOM 695 CB GLN B 227 -9.433 -26.821 13.519 1.00 3.42 C +ATOM 696 CG GLN B 227 -10.352 -25.787 14.193 1.00 3.71 C +ATOM 697 CD GLN B 227 -11.057 -24.848 13.220 1.00 3.81 C +ATOM 698 OE1 GLN B 227 -10.536 -24.521 12.156 1.00 4.14 O +ATOM 699 NE2 GLN B 227 -12.248 -24.401 13.596 1.00 4.01 N +ATOM 700 N ARG B 228 -6.883 -28.859 13.332 1.00 3.44 N +ATOM 701 CA ARG B 228 -6.194 -30.060 12.838 1.00 3.34 C +ATOM 702 C ARG B 228 -5.808 -30.981 13.988 1.00 3.24 C +ATOM 703 O ARG B 228 -6.031 -32.190 13.927 1.00 3.10 O +ATOM 704 CB ARG B 228 -4.926 -29.686 12.068 1.00 3.35 C +ATOM 705 CG ARG B 228 -5.167 -28.988 10.743 1.00 3.52 C +ATOM 706 CD ARG B 228 -3.890 -28.354 10.227 1.00 3.66 C +ATOM 707 NE ARG B 228 -2.916 -29.356 9.789 1.00 3.78 N +ATOM 708 CZ ARG B 228 -1.592 -29.223 9.863 1.00 3.53 C +ATOM 709 NH1 ARG B 228 -1.034 -28.125 10.374 1.00 3.03 N +ATOM 710 NH2 ARG B 228 -0.815 -30.208 9.427 1.00 4.11 N +ATOM 711 N LEU B 229 -5.211 -30.393 15.023 1.00 3.24 N +ATOM 712 CA LEU B 229 -4.808 -31.125 16.224 1.00 3.21 C +ATOM 713 C LEU B 229 -5.993 -31.831 16.863 1.00 3.26 C +ATOM 714 O LEU B 229 -5.908 -33.012 17.197 1.00 3.21 O +ATOM 715 CB LEU B 229 -4.181 -30.171 17.240 1.00 3.21 C +ATOM 716 CG LEU B 229 -3.707 -30.780 18.561 1.00 3.07 C +ATOM 717 CD1 LEU B 229 -2.580 -31.771 18.324 1.00 2.80 C +ATOM 718 CD2 LEU B 229 -3.267 -29.683 19.513 1.00 3.05 C +ATOM 719 N CYS B 230 -7.088 -31.091 17.035 1.00 3.32 N +ATOM 720 CA CYS B 230 -8.324 -31.638 17.596 1.00 3.40 C +ATOM 721 C CYS B 230 -8.864 -32.795 16.756 1.00 3.34 C +ATOM 722 O CYS B 230 -9.220 -33.838 17.303 1.00 3.35 O +ATOM 723 CB CYS B 230 -9.393 -30.547 17.731 1.00 3.44 C +ATOM 724 SG CYS B 230 -9.144 -29.415 19.126 1.00 3.92 S +ATOM 725 N ASN B 231 -8.919 -32.604 15.437 1.00 3.29 N +ATOM 726 CA ASN B 231 -9.386 -33.645 14.512 1.00 3.25 C +ATOM 727 C ASN B 231 -8.664 -34.968 14.718 1.00 3.29 C +ATOM 728 O ASN B 231 -9.293 -36.011 14.893 1.00 3.25 O +ATOM 729 CB ASN B 231 -9.183 -33.220 13.054 1.00 3.20 C +ATOM 730 CG ASN B 231 -10.158 -32.155 12.603 1.00 2.99 C +ATOM 731 OD1 ASN B 231 -11.212 -31.955 13.202 1.00 2.95 O +ATOM 732 ND2 ASN B 231 -9.807 -31.465 11.525 1.00 2.75 N +ATOM 733 N ALA B 232 -7.336 -34.909 14.691 1.00 3.31 N +ATOM 734 CA ALA B 232 -6.498 -36.105 14.772 1.00 3.34 C +ATOM 735 C ALA B 232 -6.719 -36.912 16.055 1.00 3.38 C +ATOM 736 O ALA B 232 -6.692 -38.144 16.028 1.00 3.41 O +ATOM 737 CB ALA B 232 -5.028 -35.721 14.637 1.00 3.33 C +ATOM 738 N LEU B 233 -6.951 -36.217 17.166 1.00 3.40 N +ATOM 739 CA LEU B 233 -7.031 -36.853 18.486 1.00 3.40 C +ATOM 740 C LEU B 233 -8.440 -37.306 18.855 1.00 3.46 C +ATOM 741 O LEU B 233 -8.623 -38.395 19.403 1.00 3.43 O +ATOM 742 CB LEU B 233 -6.511 -35.895 19.554 1.00 3.36 C +ATOM 743 CG LEU B 233 -5.022 -35.570 19.463 1.00 3.22 C +ATOM 744 CD1 LEU B 233 -4.701 -34.359 20.316 1.00 3.33 C +ATOM 745 CD2 LEU B 233 -4.183 -36.768 19.878 1.00 2.73 C +ATOM 746 N LEU B 234 -9.426 -36.462 18.565 1.00 3.56 N +ATOM 747 CA LEU B 234 -10.821 -36.745 18.902 1.00 3.62 C +ATOM 748 C LEU B 234 -11.513 -37.591 17.837 1.00 3.65 C +ATOM 749 O LEU B 234 -12.377 -38.406 18.160 1.00 3.67 O +ATOM 750 CB LEU B 234 -11.596 -35.439 19.116 1.00 3.62 C +ATOM 751 CG LEU B 234 -11.197 -34.636 20.360 1.00 3.59 C +ATOM 752 CD1 LEU B 234 -11.745 -33.215 20.300 1.00 3.43 C +ATOM 753 CD2 LEU B 234 -11.664 -35.342 21.628 1.00 3.32 C +ATOM 754 N ARG B 235 -11.135 -37.393 16.575 1.00 3.68 N +ATOM 755 CA ARG B 235 -11.771 -38.082 15.448 1.00 3.72 C +ATOM 756 C ARG B 235 -10.731 -38.703 14.517 1.00 3.79 C +ATOM 757 O ARG B 235 -10.596 -38.278 13.367 1.00 3.82 O +ATOM 758 CB ARG B 235 -12.651 -37.105 14.661 1.00 3.68 C +ATOM 759 CG ARG B 235 -13.851 -36.581 15.430 1.00 3.67 C +ATOM 760 CD ARG B 235 -14.533 -35.438 14.691 1.00 3.51 C +ATOM 761 NE ARG B 235 -13.718 -34.224 14.690 1.00 3.39 N +ATOM 762 CZ ARG B 235 -13.606 -33.374 15.710 1.00 3.22 C +ATOM 763 NH1 ARG B 235 -14.254 -33.582 16.852 1.00 3.30 N +ATOM 764 NH2 ARG B 235 -12.829 -32.303 15.588 1.00 3.17 N +ATOM 765 N PRO B 236 -9.993 -39.715 15.006 1.00 3.84 N +ATOM 766 CA PRO B 236 -8.977 -40.371 14.184 1.00 3.92 C +ATOM 767 C PRO B 236 -9.580 -41.216 13.059 1.00 4.02 C +ATOM 768 O PRO B 236 -10.712 -41.695 13.177 1.00 4.08 O +ATOM 769 CB PRO B 236 -8.238 -41.260 15.187 1.00 3.91 C +ATOM 770 CG PRO B 236 -9.239 -41.550 16.236 1.00 3.88 C +ATOM 771 CD PRO B 236 -10.081 -40.316 16.350 1.00 3.84 C +ATOM 772 N ARG B 237 -8.818 -41.391 11.984 1.00 4.08 N +ATOM 773 CA ARG B 237 -9.264 -42.149 10.815 1.00 4.14 C +ATOM 774 C ARG B 237 -8.685 -43.561 10.837 1.00 4.11 C +ATOM 775 O ARG B 237 -9.374 -44.532 10.526 1.00 4.10 O +ATOM 776 CB ARG B 237 -8.839 -41.431 9.531 1.00 4.17 C +ATOM 777 CG ARG B 237 -9.266 -39.967 9.476 1.00 4.45 C +ATOM 778 CD ARG B 237 -8.494 -39.185 8.421 1.00 4.93 C +ATOM 779 NE ARG B 237 -8.574 -37.740 8.651 1.00 5.22 N +ATOM 780 CZ ARG B 237 -9.574 -36.949 8.256 1.00 5.71 C +ATOM 781 NH1 ARG B 237 -10.618 -37.436 7.584 1.00 5.83 N +ATOM 782 NH2 ARG B 237 -9.529 -35.647 8.534 1.00 5.76 N Added: SwiftApps/modFTdock/input/indata/3eq5-3.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3eq5-3.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3eq5-3.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,761 @@ +ATOM 1 N SER C 141 -17.722 8.632 11.488 1.00 4.16 N +ATOM 2 CA SER C 141 -17.612 7.150 11.602 1.00 4.20 C +ATOM 3 C SER C 141 -17.730 6.476 10.232 1.00 4.28 C +ATOM 4 O SER C 141 -17.863 7.150 9.205 1.00 4.44 O +ATOM 5 CB SER C 141 -18.703 6.618 12.530 1.00 4.24 C +ATOM 6 OG SER C 141 -19.963 6.620 11.878 1.00 4.18 O +ATOM 7 N THR C 142 -17.670 5.145 10.235 1.00 4.27 N +ATOM 8 CA THR C 142 -17.816 4.329 9.019 1.00 4.23 C +ATOM 9 C THR C 142 -18.379 2.940 9.335 1.00 4.22 C +ATOM 10 O THR C 142 -19.272 2.457 8.641 1.00 4.28 O +ATOM 11 CB THR C 142 -16.467 4.127 8.281 1.00 4.22 C +ATOM 12 OG1 THR C 142 -15.511 3.540 9.174 1.00 4.33 O +ATOM 13 CG2 THR C 142 -15.920 5.448 7.744 1.00 4.23 C +ATOM 14 N GLU C 143 -17.840 2.300 10.371 1.00 4.20 N +ATOM 15 CA GLU C 143 -18.258 0.954 10.762 1.00 4.20 C +ATOM 16 C GLU C 143 -19.653 0.960 11.396 1.00 4.14 C +ATOM 17 O GLU C 143 -19.942 1.771 12.280 1.00 4.25 O +ATOM 18 CB GLU C 143 -17.240 0.338 11.728 1.00 4.25 C +ATOM 19 CG GLU C 143 -17.431 -1.159 11.967 1.00 4.49 C +ATOM 20 CD GLU C 143 -16.411 -1.741 12.932 1.00 4.87 C +ATOM 21 OE1 GLU C 143 -15.240 -1.295 12.919 1.00 5.18 O +ATOM 22 OE2 GLU C 143 -16.781 -2.656 13.700 1.00 5.01 O +ATOM 23 N LEU C 144 -20.503 0.044 10.935 1.00 4.02 N +ATOM 24 CA LEU C 144 -21.889 -0.062 11.394 1.00 3.89 C +ATOM 25 C LEU C 144 -22.011 -1.182 12.418 1.00 3.77 C +ATOM 26 O LEU C 144 -21.667 -2.327 12.136 1.00 3.89 O +ATOM 27 CB LEU C 144 -22.819 -0.348 10.208 1.00 3.84 C +ATOM 28 CG LEU C 144 -24.331 -0.372 10.482 1.00 4.08 C +ATOM 29 CD1 LEU C 144 -24.910 1.041 10.515 1.00 3.92 C +ATOM 30 CD2 LEU C 144 -25.057 -1.219 9.447 1.00 4.00 C +ATOM 31 N THR C 145 -22.510 -0.846 13.599 1.00 3.69 N +ATOM 32 CA THR C 145 -22.710 -1.820 14.667 1.00 3.69 C +ATOM 33 C THR C 145 -24.207 -1.969 14.957 1.00 3.70 C +ATOM 34 O THR C 145 -25.036 -1.363 14.279 1.00 3.70 O +ATOM 35 CB THR C 145 -21.935 -1.410 15.944 1.00 3.69 C +ATOM 36 OG1 THR C 145 -22.116 -2.402 16.963 1.00 3.66 O +ATOM 37 CG2 THR C 145 -22.400 -0.051 16.462 1.00 3.48 C +ATOM 38 N GLN C 146 -24.551 -2.791 15.944 1.00 3.76 N +ATOM 39 CA GLN C 146 -25.946 -2.945 16.367 1.00 3.87 C +ATOM 40 C GLN C 146 -26.086 -2.917 17.890 1.00 3.85 C +ATOM 41 O GLN C 146 -25.223 -3.414 18.613 1.00 3.87 O +ATOM 42 CB GLN C 146 -26.546 -4.240 15.808 1.00 3.88 C +ATOM 43 CG GLN C 146 -26.624 -4.272 14.282 1.00 4.32 C +ATOM 44 CD GLN C 146 -27.298 -5.525 13.735 1.00 4.66 C +ATOM 45 OE1 GLN C 146 -28.047 -6.204 14.440 1.00 4.93 O +ATOM 46 NE2 GLN C 146 -27.035 -5.832 12.464 1.00 4.59 N +ATOM 47 N THR C 147 -27.181 -2.327 18.361 1.00 3.89 N +ATOM 48 CA THR C 147 -27.496 -2.268 19.787 1.00 3.87 C +ATOM 49 C THR C 147 -28.983 -2.559 20.005 1.00 3.88 C +ATOM 50 O THR C 147 -29.808 -2.298 19.127 1.00 3.99 O +ATOM 51 CB THR C 147 -27.134 -0.892 20.379 1.00 3.90 C +ATOM 52 OG1 THR C 147 -27.144 -0.961 21.812 1.00 3.85 O +ATOM 53 CG2 THR C 147 -28.108 0.182 19.902 1.00 3.84 C +ATOM 54 N VAL C 148 -29.316 -3.106 21.172 1.00 3.82 N +ATOM 55 CA VAL C 148 -30.696 -3.489 21.483 1.00 3.78 C +ATOM 56 C VAL C 148 -31.506 -2.305 22.011 1.00 3.72 C +ATOM 57 O VAL C 148 -30.977 -1.440 22.714 1.00 3.73 O +ATOM 58 CB VAL C 148 -30.750 -4.637 22.510 1.00 3.81 C +ATOM 59 CG1 VAL C 148 -32.193 -5.052 22.780 1.00 3.83 C +ATOM 60 CG2 VAL C 148 -29.940 -5.829 22.012 1.00 3.87 C +ATOM 61 N LEU C 149 -32.788 -2.280 21.651 1.00 3.61 N +ATOM 62 CA LEU C 149 -33.732 -1.255 22.103 1.00 3.56 C +ATOM 63 C LEU C 149 -35.145 -1.843 22.084 1.00 3.58 C +ATOM 64 O LEU C 149 -35.615 -2.293 21.039 1.00 3.56 O +ATOM 65 CB LEU C 149 -33.670 -0.023 21.196 1.00 3.48 C +ATOM 66 CG LEU C 149 -34.516 1.170 21.647 1.00 3.52 C +ATOM 67 CD1 LEU C 149 -33.796 1.923 22.750 1.00 3.78 C +ATOM 68 CD2 LEU C 149 -34.849 2.097 20.488 1.00 3.12 C +ATOM 69 N GLU C 150 -35.809 -1.845 23.239 1.00 3.55 N +ATOM 70 CA GLU C 150 -37.136 -2.459 23.389 1.00 3.58 C +ATOM 71 C GLU C 150 -37.198 -3.872 22.793 1.00 3.57 C +ATOM 72 O GLU C 150 -38.182 -4.246 22.152 1.00 3.51 O +ATOM 73 CB GLU C 150 -38.217 -1.566 22.761 1.00 3.62 C +ATOM 74 CG GLU C 150 -38.280 -0.156 23.337 1.00 3.54 C +ATOM 75 CD GLU C 150 -38.588 -0.136 24.822 1.00 3.45 C +ATOM 76 OE1 GLU C 150 -39.393 -0.977 25.279 1.00 3.93 O +ATOM 77 OE2 GLU C 150 -38.028 0.726 25.532 1.00 3.16 O +ATOM 78 N GLY C 151 -36.133 -4.644 23.004 1.00 3.63 N +ATOM 79 CA GLY C 151 -36.048 -6.020 22.511 1.00 3.61 C +ATOM 80 C GLY C 151 -35.794 -6.174 21.020 1.00 3.63 C +ATOM 81 O GLY C 151 -35.836 -7.287 20.498 1.00 3.60 O +ATOM 82 N GLU C 152 -35.527 -5.065 20.333 1.00 3.74 N +ATOM 83 CA GLU C 152 -35.283 -5.073 18.888 1.00 3.82 C +ATOM 84 C GLU C 152 -33.876 -4.563 18.614 1.00 3.84 C +ATOM 85 O GLU C 152 -33.421 -3.613 19.254 1.00 3.88 O +ATOM 86 CB GLU C 152 -36.316 -4.207 18.158 1.00 3.82 C +ATOM 87 CG GLU C 152 -37.754 -4.673 18.369 1.00 4.07 C +ATOM 88 CD GLU C 152 -38.776 -3.914 17.530 1.00 4.37 C +ATOM 89 OE1 GLU C 152 -38.444 -2.837 16.987 1.00 4.53 O +ATOM 90 OE2 GLU C 152 -39.922 -4.405 17.416 1.00 4.22 O +ATOM 91 N SER C 153 -33.196 -5.199 17.662 1.00 3.93 N +ATOM 92 CA SER C 153 -31.790 -4.908 17.380 1.00 3.97 C +ATOM 93 C SER C 153 -31.653 -3.816 16.327 1.00 3.98 C +ATOM 94 O SER C 153 -31.810 -4.078 15.135 1.00 4.19 O +ATOM 95 CB SER C 153 -31.073 -6.174 16.910 1.00 3.97 C +ATOM 96 OG SER C 153 -29.733 -5.888 16.543 1.00 4.34 O +ATOM 97 N ILE C 154 -31.340 -2.599 16.769 1.00 3.91 N +ATOM 98 CA ILE C 154 -31.254 -1.445 15.870 1.00 3.78 C +ATOM 99 C ILE C 154 -29.822 -1.216 15.382 1.00 3.73 C +ATOM 100 O ILE C 154 -28.872 -1.330 16.152 1.00 3.72 O +ATOM 101 CB ILE C 154 -31.754 -0.149 16.550 1.00 3.69 C +ATOM 102 CG1 ILE C 154 -33.111 -0.365 17.234 1.00 3.80 C +ATOM 103 CG2 ILE C 154 -31.859 0.969 15.534 1.00 3.48 C +ATOM 104 CD1 ILE C 154 -34.189 -0.958 16.338 1.00 3.60 C +ATOM 105 N SER C 155 -29.686 -0.888 14.098 1.00 3.65 N +ATOM 106 CA SER C 155 -28.396 -0.536 13.511 1.00 3.62 C +ATOM 107 C SER C 155 -27.964 0.854 13.971 1.00 3.66 C +ATOM 108 O SER C 155 -28.789 1.766 14.060 1.00 3.72 O +ATOM 109 CB SER C 155 -28.474 -0.566 11.983 1.00 3.60 C +ATOM 110 OG SER C 155 -28.727 -1.875 11.508 1.00 3.58 O +ATOM 111 N CYS C 156 -26.672 1.014 14.253 1.00 3.57 N +ATOM 112 CA CYS C 156 -26.155 2.280 14.765 1.00 3.58 C +ATOM 113 C CYS C 156 -24.674 2.501 14.468 1.00 3.66 C +ATOM 114 O CYS C 156 -23.915 1.553 14.248 1.00 3.60 O +ATOM 115 CB CYS C 156 -26.378 2.360 16.274 1.00 3.59 C +ATOM 116 SG CYS C 156 -25.538 1.069 17.219 1.00 3.73 S +ATOM 117 N PHE C 157 -24.280 3.771 14.477 1.00 3.67 N +ATOM 118 CA PHE C 157 -22.888 4.165 14.302 1.00 3.66 C +ATOM 119 C PHE C 157 -22.292 4.570 15.638 1.00 3.63 C +ATOM 120 O PHE C 157 -22.905 5.322 16.390 1.00 3.51 O +ATOM 121 CB PHE C 157 -22.785 5.326 13.316 1.00 3.67 C +ATOM 122 CG PHE C 157 -23.236 4.978 11.930 1.00 3.62 C +ATOM 123 CD1 PHE C 157 -24.520 5.288 11.504 1.00 3.77 C +ATOM 124 CD2 PHE C 157 -22.384 4.321 11.058 1.00 3.55 C +ATOM 125 CE1 PHE C 157 -24.939 4.959 10.230 1.00 3.98 C +ATOM 126 CE2 PHE C 157 -22.795 3.989 9.781 1.00 3.77 C +ATOM 127 CZ PHE C 157 -24.072 4.308 9.364 1.00 3.79 C +ATOM 128 N GLN C 158 -21.097 4.061 15.926 1.00 3.73 N +ATOM 129 CA GLN C 158 -20.381 4.421 17.144 1.00 3.75 C +ATOM 130 C GLN C 158 -19.577 5.687 16.872 1.00 3.72 C +ATOM 131 O GLN C 158 -18.516 5.634 16.250 1.00 3.72 O +ATOM 132 CB GLN C 158 -19.473 3.272 17.594 1.00 3.76 C +ATOM 133 CG GLN C 158 -18.704 3.525 18.896 1.00 4.00 C +ATOM 134 CD GLN C 158 -19.599 3.649 20.115 1.00 4.36 C +ATOM 135 OE1 GLN C 158 -19.474 4.593 20.897 1.00 5.10 O +ATOM 136 NE2 GLN C 158 -20.491 2.683 20.297 1.00 3.96 N +ATOM 137 N VAL C 159 -20.101 6.824 17.326 1.00 3.73 N +ATOM 138 CA VAL C 159 -19.448 8.116 17.121 1.00 3.72 C +ATOM 139 C VAL C 159 -18.825 8.620 18.426 1.00 3.83 C +ATOM 140 O VAL C 159 -19.441 9.378 19.183 1.00 3.75 O +ATOM 141 CB VAL C 159 -20.423 9.170 16.544 1.00 3.80 C +ATOM 142 CG1 VAL C 159 -19.662 10.427 16.140 1.00 3.59 C +ATOM 143 CG2 VAL C 159 -21.185 8.599 15.349 1.00 3.55 C +ATOM 144 N GLY C 160 -17.600 8.161 18.680 1.00 3.92 N +ATOM 145 CA GLY C 160 -16.774 8.651 19.777 1.00 3.96 C +ATOM 146 C GLY C 160 -17.351 8.518 21.175 1.00 4.07 C +ATOM 147 O GLY C 160 -17.188 9.422 22.000 1.00 4.31 O +ATOM 148 N GLY C 161 -18.010 7.397 21.455 1.00 4.03 N +ATOM 149 CA GLY C 161 -18.548 7.141 22.798 1.00 4.04 C +ATOM 150 C GLY C 161 -20.058 7.217 22.878 1.00 4.07 C +ATOM 151 O GLY C 161 -20.654 6.740 23.843 1.00 4.05 O +ATOM 152 N GLU C 162 -20.667 7.835 21.868 1.00 4.15 N +ATOM 153 CA GLU C 162 -22.120 7.846 21.693 1.00 4.21 C +ATOM 154 C GLU C 162 -22.515 6.903 20.561 1.00 4.10 C +ATOM 155 O GLU C 162 -21.844 6.853 19.525 1.00 4.21 O +ATOM 156 CB GLU C 162 -22.629 9.260 21.369 1.00 4.34 C +ATOM 157 CG GLU C 162 -23.276 9.991 22.544 1.00 4.84 C +ATOM 158 CD GLU C 162 -23.822 11.367 22.166 1.00 5.51 C +ATOM 159 OE1 GLU C 162 -24.040 11.623 20.958 1.00 5.71 O +ATOM 160 OE2 GLU C 162 -24.042 12.192 23.085 1.00 5.90 O +ATOM 161 N LYS C 163 -23.599 6.159 20.769 1.00 3.85 N +ATOM 162 CA LYS C 163 -24.181 5.319 19.730 1.00 3.78 C +ATOM 163 C LYS C 163 -25.335 6.072 19.090 1.00 3.75 C +ATOM 164 O LYS C 163 -26.237 6.536 19.791 1.00 3.71 O +ATOM 165 CB LYS C 163 -24.688 4.001 20.318 1.00 3.83 C +ATOM 166 CG LYS C 163 -23.582 3.041 20.700 1.00 4.04 C +ATOM 167 CD LYS C 163 -24.120 1.734 21.250 1.00 4.23 C +ATOM 168 CE LYS C 163 -22.984 0.822 21.689 1.00 4.33 C +ATOM 169 NZ LYS C 163 -23.455 -0.562 21.961 1.00 4.70 N +ATOM 170 N ARG C 164 -25.307 6.191 17.766 1.00 3.68 N +ATOM 171 CA ARG C 164 -26.334 6.935 17.041 1.00 3.71 C +ATOM 172 C ARG C 164 -27.168 6.004 16.163 1.00 3.67 C +ATOM 173 O ARG C 164 -26.695 5.490 15.152 1.00 3.59 O +ATOM 174 CB ARG C 164 -25.694 8.068 16.239 1.00 3.75 C +ATOM 175 CG ARG C 164 -25.119 9.140 17.154 1.00 3.96 C +ATOM 176 CD ARG C 164 -24.407 10.248 16.416 1.00 4.22 C +ATOM 177 NE ARG C 164 -23.805 11.191 17.360 1.00 4.57 N +ATOM 178 CZ ARG C 164 -22.902 12.121 17.046 1.00 4.69 C +ATOM 179 NH1 ARG C 164 -22.423 12.919 17.996 1.00 4.57 N +ATOM 180 NH2 ARG C 164 -22.472 12.262 15.795 1.00 4.63 N +ATOM 181 N LEU C 165 -28.418 5.805 16.572 1.00 3.71 N +ATOM 182 CA LEU C 165 -29.289 4.780 15.997 1.00 3.73 C +ATOM 183 C LEU C 165 -29.991 5.224 14.714 1.00 3.81 C +ATOM 184 O LEU C 165 -30.346 6.390 14.556 1.00 3.78 O +ATOM 185 CB LEU C 165 -30.347 4.350 17.021 1.00 3.71 C +ATOM 186 CG LEU C 165 -29.899 3.392 18.126 1.00 3.61 C +ATOM 187 CD1 LEU C 165 -28.674 3.914 18.865 1.00 3.39 C +ATOM 188 CD2 LEU C 165 -31.053 3.150 19.082 1.00 3.19 C +ATOM 189 N CYS C 166 -30.199 4.263 13.816 1.00 3.89 N +ATOM 190 CA CYS C 166 -30.926 4.476 12.568 1.00 3.88 C +ATOM 191 C CYS C 166 -32.376 4.821 12.876 1.00 3.80 C +ATOM 192 O CYS C 166 -33.134 3.977 13.351 1.00 3.88 O +ATOM 193 CB CYS C 166 -30.859 3.212 11.710 1.00 3.89 C +ATOM 194 SG CYS C 166 -31.836 3.268 10.201 1.00 4.70 S +ATOM 195 N LEU C 167 -32.752 6.065 12.594 1.00 3.74 N +ATOM 196 CA LEU C 167 -34.024 6.621 13.062 1.00 3.64 C +ATOM 197 C LEU C 167 -35.266 5.912 12.501 1.00 3.67 C +ATOM 198 O LEU C 167 -36.187 5.628 13.256 1.00 3.62 O +ATOM 199 CB LEU C 167 -34.081 8.136 12.795 1.00 3.52 C +ATOM 200 CG LEU C 167 -35.265 8.925 13.367 1.00 3.18 C +ATOM 201 CD1 LEU C 167 -35.365 8.749 14.869 1.00 2.77 C +ATOM 202 CD2 LEU C 167 -35.140 10.397 13.017 1.00 2.62 C +ATOM 203 N PRO C 168 -35.294 5.610 11.186 1.00 3.78 N +ATOM 204 CA PRO C 168 -36.460 4.911 10.627 1.00 3.78 C +ATOM 205 C PRO C 168 -36.802 3.579 11.307 1.00 3.78 C +ATOM 206 O PRO C 168 -37.979 3.239 11.419 1.00 3.93 O +ATOM 207 CB PRO C 168 -36.066 4.691 9.163 1.00 3.74 C +ATOM 208 CG PRO C 168 -35.154 5.812 8.857 1.00 3.76 C +ATOM 209 CD PRO C 168 -34.353 6.011 10.121 1.00 3.86 C +ATOM 210 N GLN C 169 -35.793 2.841 11.756 1.00 3.75 N +ATOM 211 CA GLN C 169 -36.024 1.612 12.518 1.00 3.77 C +ATOM 212 C GLN C 169 -36.714 1.901 13.854 1.00 3.84 C +ATOM 213 O GLN C 169 -37.608 1.165 14.271 1.00 3.91 O +ATOM 214 CB GLN C 169 -34.709 0.887 12.782 1.00 3.86 C +ATOM 215 CG GLN C 169 -34.019 0.358 11.541 1.00 3.83 C +ATOM 216 CD GLN C 169 -32.910 -0.614 11.884 1.00 3.95 C +ATOM 217 OE1 GLN C 169 -31.865 -0.224 12.406 1.00 4.24 O +ATOM 218 NE2 GLN C 169 -33.135 -1.890 11.597 1.00 4.02 N +ATOM 219 N VAL C 170 -36.297 2.971 14.525 1.00 3.84 N +ATOM 220 CA VAL C 170 -36.898 3.353 15.803 1.00 3.78 C +ATOM 221 C VAL C 170 -38.342 3.807 15.604 1.00 3.87 C +ATOM 222 O VAL C 170 -39.234 3.404 16.355 1.00 4.01 O +ATOM 223 CB VAL C 170 -36.103 4.478 16.500 1.00 3.74 C +ATOM 224 CG1 VAL C 170 -36.769 4.875 17.805 1.00 3.60 C +ATOM 225 CG2 VAL C 170 -34.669 4.041 16.755 1.00 3.88 C +ATOM 226 N LEU C 171 -38.568 4.640 14.591 1.00 3.85 N +ATOM 227 CA LEU C 171 -39.899 5.200 14.337 1.00 3.94 C +ATOM 228 C LEU C 171 -40.874 4.169 13.769 1.00 3.97 C +ATOM 229 O LEU C 171 -42.012 4.081 14.227 1.00 4.02 O +ATOM 230 CB LEU C 171 -39.813 6.401 13.383 1.00 3.92 C +ATOM 231 CG LEU C 171 -39.013 7.618 13.861 1.00 3.69 C +ATOM 232 CD1 LEU C 171 -39.016 8.691 12.791 1.00 3.00 C +ATOM 233 CD2 LEU C 171 -39.556 8.167 15.176 1.00 3.43 C +ATOM 234 N ASN C 172 -40.424 3.394 12.783 1.00 3.96 N +ATOM 235 CA ASN C 172 -41.310 2.489 12.042 1.00 3.98 C +ATOM 236 C ASN C 172 -41.378 1.052 12.569 1.00 3.91 C +ATOM 237 O ASN C 172 -42.171 0.253 12.065 1.00 3.91 O +ATOM 238 CB ASN C 172 -40.939 2.483 10.554 1.00 4.03 C +ATOM 239 CG ASN C 172 -41.053 3.861 9.915 1.00 4.43 C +ATOM 240 OD1 ASN C 172 -41.879 4.692 10.318 1.00 5.04 O +ATOM 241 ND2 ASN C 172 -40.228 4.107 8.907 1.00 4.72 N +ATOM 242 N SER C 173 -40.572 0.721 13.577 1.00 3.85 N +ATOM 243 CA SER C 173 -40.651 -0.599 14.217 1.00 3.82 C +ATOM 244 C SER C 173 -40.923 -0.488 15.713 1.00 3.77 C +ATOM 245 O SER C 173 -41.952 -0.969 16.194 1.00 3.81 O +ATOM 246 CB SER C 173 -39.373 -1.403 13.976 1.00 3.85 C +ATOM 247 OG SER C 173 -39.505 -2.725 14.471 1.00 4.05 O +ATOM 248 N VAL C 174 -40.008 0.149 16.441 1.00 3.68 N +ATOM 249 CA VAL C 174 -40.116 0.247 17.902 1.00 3.60 C +ATOM 250 C VAL C 174 -41.309 1.118 18.313 1.00 3.61 C +ATOM 251 O VAL C 174 -42.152 0.685 19.100 1.00 3.56 O +ATOM 252 CB VAL C 174 -38.823 0.809 18.555 1.00 3.63 C +ATOM 253 CG1 VAL C 174 -38.969 0.867 20.074 1.00 3.31 C +ATOM 254 CG2 VAL C 174 -37.607 -0.027 18.165 1.00 3.35 C +ATOM 255 N LEU C 175 -41.377 2.330 17.766 1.00 3.53 N +ATOM 256 CA LEU C 175 -42.444 3.283 18.090 1.00 3.49 C +ATOM 257 C LEU C 175 -43.544 3.330 17.015 1.00 3.58 C +ATOM 258 O LEU C 175 -44.157 4.377 16.786 1.00 3.49 O +ATOM 259 CB LEU C 175 -41.850 4.681 18.297 1.00 3.39 C +ATOM 260 CG LEU C 175 -40.766 4.801 19.374 1.00 3.34 C +ATOM 261 CD1 LEU C 175 -40.158 6.198 19.382 1.00 3.06 C +ATOM 262 CD2 LEU C 175 -41.322 4.445 20.744 1.00 2.76 C +ATOM 263 N ARG C 176 -43.799 2.191 16.372 1.00 3.69 N +ATOM 264 CA ARG C 176 -44.800 2.109 15.305 1.00 3.69 C +ATOM 265 C ARG C 176 -46.219 2.315 15.820 1.00 3.62 C +ATOM 266 O ARG C 176 -47.056 2.852 15.104 1.00 3.56 O +ATOM 267 CB ARG C 176 -44.707 0.766 14.564 1.00 3.78 C +ATOM 268 CG ARG C 176 -45.727 0.573 13.418 1.00 3.68 C +ATOM 269 CD ARG C 176 -45.565 1.605 12.298 1.00 3.49 C +ATOM 270 NE ARG C 176 -46.621 1.497 11.290 1.00 3.42 N +ATOM 271 CZ ARG C 176 -47.863 1.975 11.421 1.00 2.95 C +ATOM 272 NH1 ARG C 176 -48.243 2.610 12.525 1.00 2.78 N +ATOM 273 NH2 ARG C 176 -48.739 1.813 10.435 1.00 2.35 N +ATOM 274 N GLU C 177 -46.483 1.898 17.057 1.00 3.65 N +ATOM 275 CA GLU C 177 -47.820 2.042 17.650 1.00 3.72 C +ATOM 276 C GLU C 177 -48.160 3.482 18.066 1.00 3.69 C +ATOM 277 O GLU C 177 -49.278 3.746 18.514 1.00 3.64 O +ATOM 278 CB GLU C 177 -48.006 1.082 18.840 1.00 3.77 C +ATOM 279 CG GLU C 177 -47.166 1.394 20.085 1.00 4.12 C +ATOM 280 CD GLU C 177 -47.370 0.378 21.205 1.00 4.37 C +ATOM 281 OE1 GLU C 177 -48.503 0.280 21.731 1.00 4.98 O +ATOM 282 OE2 GLU C 177 -46.396 -0.317 21.566 1.00 4.32 O +ATOM 283 N PHE C 178 -47.201 4.398 17.923 1.00 3.65 N +ATOM 284 CA PHE C 178 -47.425 5.819 18.193 1.00 3.65 C +ATOM 285 C PHE C 178 -47.390 6.627 16.900 1.00 3.69 C +ATOM 286 O PHE C 178 -46.570 6.366 16.018 1.00 3.71 O +ATOM 287 CB PHE C 178 -46.369 6.353 19.163 1.00 3.64 C +ATOM 288 CG PHE C 178 -46.272 5.570 20.441 1.00 3.54 C +ATOM 289 CD1 PHE C 178 -47.193 5.762 21.457 1.00 3.21 C +ATOM 290 CD2 PHE C 178 -45.261 4.632 20.622 1.00 3.49 C +ATOM 291 CE1 PHE C 178 -47.108 5.037 22.634 1.00 3.38 C +ATOM 292 CE2 PHE C 178 -45.169 3.905 21.799 1.00 3.34 C +ATOM 293 CZ PHE C 178 -46.093 4.106 22.804 1.00 3.33 C +ATOM 294 N THR C 179 -48.283 7.609 16.794 1.00 3.72 N +ATOM 295 CA THR C 179 -48.331 8.492 15.630 1.00 3.70 C +ATOM 296 C THR C 179 -47.083 9.364 15.575 1.00 3.80 C +ATOM 297 O THR C 179 -46.473 9.653 16.607 1.00 3.78 O +ATOM 298 CB THR C 179 -49.558 9.429 15.668 1.00 3.75 C +ATOM 299 OG1 THR C 179 -49.499 10.255 16.838 1.00 3.48 O +ATOM 300 CG2 THR C 179 -50.862 8.631 15.672 1.00 3.66 C +ATOM 301 N LEU C 180 -46.709 9.781 14.370 1.00 3.93 N +ATOM 302 CA LEU C 180 -45.558 10.667 14.183 1.00 4.01 C +ATOM 303 C LEU C 180 -45.751 12.002 14.912 1.00 4.12 C +ATOM 304 O LEU C 180 -44.786 12.599 15.387 1.00 4.24 O +ATOM 305 CB LEU C 180 -45.288 10.904 12.693 1.00 3.96 C +ATOM 306 CG LEU C 180 -44.646 9.743 11.925 1.00 4.03 C +ATOM 307 CD1 LEU C 180 -44.515 10.088 10.449 1.00 3.81 C +ATOM 308 CD2 LEU C 180 -43.282 9.379 12.503 1.00 3.99 C +ATOM 309 N GLN C 181 -46.997 12.459 14.999 1.00 4.27 N +ATOM 310 CA GLN C 181 -47.331 13.663 15.766 1.00 4.46 C +ATOM 311 C GLN C 181 -47.009 13.460 17.245 1.00 4.49 C +ATOM 312 O GLN C 181 -46.383 14.310 17.877 1.00 4.69 O +ATOM 313 CB GLN C 181 -48.812 14.023 15.590 1.00 4.43 C +ATOM 314 CG GLN C 181 -49.264 15.265 16.363 1.00 5.02 C +ATOM 315 CD GLN C 181 -50.027 14.938 17.650 1.00 5.79 C +ATOM 316 OE1 GLN C 181 -51.047 14.244 17.622 1.00 6.15 O +ATOM 317 NE2 GLN C 181 -49.544 15.456 18.777 1.00 6.06 N +ATOM 318 N GLN C 182 -47.438 12.325 17.783 1.00 4.50 N +ATOM 319 CA GLN C 182 -47.223 12.010 19.192 1.00 4.51 C +ATOM 320 C GLN C 182 -45.737 11.832 19.514 1.00 4.35 C +ATOM 321 O GLN C 182 -45.299 12.147 20.617 1.00 4.57 O +ATOM 322 CB GLN C 182 -48.019 10.760 19.580 1.00 4.60 C +ATOM 323 CG GLN C 182 -48.022 10.452 21.073 1.00 5.03 C +ATOM 324 CD GLN C 182 -49.154 9.516 21.486 1.00 5.49 C +ATOM 325 OE1 GLN C 182 -49.875 8.973 20.642 1.00 5.48 O +ATOM 326 NE2 GLN C 182 -49.314 9.328 22.797 1.00 5.41 N +ATOM 327 N ILE C 183 -44.967 11.342 18.547 1.00 4.14 N +ATOM 328 CA ILE C 183 -43.531 11.143 18.726 1.00 3.89 C +ATOM 329 C ILE C 183 -42.782 12.478 18.744 1.00 3.87 C +ATOM 330 O ILE C 183 -41.982 12.733 19.648 1.00 3.83 O +ATOM 331 CB ILE C 183 -42.950 10.238 17.616 1.00 3.95 C +ATOM 332 CG1 ILE C 183 -43.548 8.828 17.713 1.00 3.78 C +ATOM 333 CG2 ILE C 183 -41.423 10.174 17.715 1.00 3.54 C +ATOM 334 CD1 ILE C 183 -43.405 8.011 16.452 1.00 3.36 C +ATOM 335 N ASN C 184 -43.036 13.320 17.745 1.00 3.81 N +ATOM 336 CA ASN C 184 -42.412 14.648 17.674 1.00 3.79 C +ATOM 337 C ASN C 184 -42.811 15.536 18.849 1.00 3.71 C +ATOM 338 O ASN C 184 -42.010 16.349 19.314 1.00 3.50 O +ATOM 339 CB ASN C 184 -42.763 15.360 16.360 1.00 3.85 C +ATOM 340 CG ASN C 184 -41.987 14.824 15.165 1.00 4.20 C +ATOM 341 OD1 ASN C 184 -40.905 14.239 15.303 1.00 5.24 O +ATOM 342 ND2 ASN C 184 -42.534 15.039 13.976 1.00 4.55 N +ATOM 343 N THR C 185 -44.053 15.385 19.314 1.00 3.67 N +ATOM 344 CA THR C 185 -44.529 16.090 20.504 1.00 3.64 C +ATOM 345 C THR C 185 -43.596 15.808 21.678 1.00 3.67 C +ATOM 346 O THR C 185 -43.050 16.730 22.275 1.00 3.75 O +ATOM 347 CB THR C 185 -45.964 15.664 20.885 1.00 3.69 C +ATOM 348 OG1 THR C 185 -46.874 16.041 19.842 1.00 3.68 O +ATOM 349 CG2 THR C 185 -46.397 16.319 22.191 1.00 3.56 C +ATOM 350 N VAL C 186 -43.401 14.527 21.977 1.00 3.64 N +ATOM 351 CA VAL C 186 -42.501 14.097 23.052 1.00 3.63 C +ATOM 352 C VAL C 186 -41.062 14.584 22.839 1.00 3.56 C +ATOM 353 O VAL C 186 -40.413 15.032 23.782 1.00 3.46 O +ATOM 354 CB VAL C 186 -42.500 12.558 23.199 1.00 3.61 C +ATOM 355 CG1 VAL C 186 -41.528 12.118 24.278 1.00 3.44 C +ATOM 356 CG2 VAL C 186 -43.902 12.059 23.517 1.00 3.64 C +ATOM 357 N CYS C 187 -40.576 14.502 21.604 1.00 3.65 N +ATOM 358 CA CYS C 187 -39.216 14.958 21.276 1.00 3.73 C +ATOM 359 C CYS C 187 -39.036 16.445 21.577 1.00 3.79 C +ATOM 360 O CYS C 187 -37.977 16.865 22.051 1.00 3.77 O +ATOM 361 CB CYS C 187 -38.881 14.691 19.803 1.00 3.77 C +ATOM 362 SG CYS C 187 -38.454 12.975 19.413 1.00 3.85 S +ATOM 363 N ASP C 188 -40.076 17.231 21.297 1.00 3.83 N +ATOM 364 CA ASP C 188 -40.060 18.674 21.549 1.00 3.84 C +ATOM 365 C ASP C 188 -40.108 19.000 23.040 1.00 3.81 C +ATOM 366 O ASP C 188 -39.558 20.011 23.471 1.00 3.80 O +ATOM 367 CB ASP C 188 -41.230 19.364 20.834 1.00 3.85 C +ATOM 368 CG ASP C 188 -41.095 19.341 19.316 1.00 4.02 C +ATOM 369 OD1 ASP C 188 -42.106 19.608 18.628 1.00 4.61 O +ATOM 370 OD2 ASP C 188 -39.991 19.058 18.804 1.00 4.06 O +ATOM 371 N GLU C 189 -40.767 18.147 23.819 1.00 3.86 N +ATOM 372 CA GLU C 189 -40.892 18.357 25.265 1.00 3.98 C +ATOM 373 C GLU C 189 -39.649 17.873 26.014 1.00 3.90 C +ATOM 374 O GLU C 189 -39.263 18.465 27.022 1.00 3.88 O +ATOM 375 CB GLU C 189 -42.151 17.670 25.811 1.00 4.08 C +ATOM 376 CG GLU C 189 -43.425 18.025 25.036 1.00 4.55 C +ATOM 377 CD GLU C 189 -44.710 17.664 25.766 1.00 5.27 C +ATOM 378 OE1 GLU C 189 -44.661 16.827 26.695 1.00 6.07 O +ATOM 379 OE2 GLU C 189 -45.774 18.216 25.400 1.00 5.28 O +ATOM 380 N LEU C 190 -39.031 16.803 25.514 1.00 3.88 N +ATOM 381 CA LEU C 190 -37.794 16.259 26.089 1.00 3.88 C +ATOM 382 C LEU C 190 -36.530 16.888 25.493 1.00 3.90 C +ATOM 383 O LEU C 190 -35.422 16.581 25.934 1.00 3.95 O +ATOM 384 CB LEU C 190 -37.739 14.740 25.891 1.00 3.85 C +ATOM 385 CG LEU C 190 -38.864 13.920 26.529 1.00 3.96 C +ATOM 386 CD1 LEU C 190 -38.690 12.437 26.211 1.00 3.57 C +ATOM 387 CD2 LEU C 190 -38.938 14.152 28.040 1.00 3.81 C +ATOM 388 N TYR C 191 -36.700 17.756 24.495 1.00 3.91 N +ATOM 389 CA TYR C 191 -35.581 18.407 23.801 1.00 3.91 C +ATOM 390 C TYR C 191 -34.648 17.403 23.106 1.00 3.93 C +ATOM 391 O TYR C 191 -33.423 17.553 23.144 1.00 3.94 O +ATOM 392 CB TYR C 191 -34.793 19.315 24.757 1.00 3.89 C +ATOM 393 CG TYR C 191 -35.662 20.284 25.532 1.00 4.03 C +ATOM 394 CD1 TYR C 191 -36.143 19.959 26.801 1.00 4.18 C +ATOM 395 CD2 TYR C 191 -36.009 21.524 24.997 1.00 3.92 C +ATOM 396 CE1 TYR C 191 -36.945 20.844 27.520 1.00 4.10 C +ATOM 397 CE2 TYR C 191 -36.810 22.418 25.707 1.00 4.05 C +ATOM 398 CZ TYR C 191 -37.275 22.071 26.968 1.00 4.10 C +ATOM 399 OH TYR C 191 -38.069 22.946 27.674 1.00 3.98 O +ATOM 400 N ILE C 192 -35.235 16.387 22.469 1.00 3.96 N +ATOM 401 CA ILE C 192 -34.469 15.438 21.658 1.00 3.93 C +ATOM 402 C ILE C 192 -34.242 16.051 20.284 1.00 3.97 C +ATOM 403 O ILE C 192 -35.202 16.330 19.562 1.00 3.91 O +ATOM 404 CB ILE C 192 -35.190 14.084 21.450 1.00 3.95 C +ATOM 405 CG1 ILE C 192 -35.626 13.462 22.780 1.00 4.03 C +ATOM 406 CG2 ILE C 192 -34.281 13.124 20.694 1.00 3.77 C +ATOM 407 CD1 ILE C 192 -34.508 13.267 23.763 1.00 4.50 C +ATOM 408 N TYR C 193 -32.973 16.261 19.941 1.00 4.02 N +ATOM 409 CA TYR C 193 -32.577 16.802 18.646 1.00 4.07 C +ATOM 410 C TYR C 193 -31.922 15.707 17.809 1.00 4.08 C +ATOM 411 O TYR C 193 -30.906 15.132 18.214 1.00 4.15 O +ATOM 412 CB TYR C 193 -31.598 17.960 18.837 1.00 4.16 C +ATOM 413 CG TYR C 193 -32.222 19.207 19.427 1.00 4.39 C +ATOM 414 CD1 TYR C 193 -32.956 20.084 18.629 1.00 4.57 C +ATOM 415 CD2 TYR C 193 -32.073 19.515 20.777 1.00 4.47 C +ATOM 416 CE1 TYR C 193 -33.529 21.232 19.160 1.00 4.64 C +ATOM 417 CE2 TYR C 193 -32.643 20.664 21.320 1.00 4.61 C +ATOM 418 CZ TYR C 193 -33.371 21.519 20.505 1.00 4.74 C +ATOM 419 OH TYR C 193 -33.941 22.661 21.032 1.00 5.03 O +ATOM 420 N CYS C 194 -32.505 15.423 16.647 1.00 4.03 N +ATOM 421 CA CYS C 194 -32.025 14.351 15.776 1.00 4.03 C +ATOM 422 C CYS C 194 -31.069 14.881 14.714 1.00 3.91 C +ATOM 423 O CYS C 194 -31.329 15.912 14.095 1.00 3.82 O +ATOM 424 CB CYS C 194 -33.202 13.646 15.101 1.00 4.13 C +ATOM 425 SG CYS C 194 -34.199 12.639 16.221 1.00 4.53 S +ATOM 426 N SER C 195 -29.967 14.165 14.513 1.00 3.88 N +ATOM 427 CA SER C 195 -28.972 14.529 13.503 1.00 3.89 C +ATOM 428 C SER C 195 -29.259 13.800 12.191 1.00 3.93 C +ATOM 429 O SER C 195 -30.232 13.048 12.085 1.00 3.82 O +ATOM 430 CB SER C 195 -27.556 14.212 14.003 1.00 3.88 C +ATOM 431 OG SER C 195 -27.381 12.825 14.241 1.00 3.90 O +ATOM 432 N ARG C 196 -28.421 14.050 11.190 1.00 3.98 N +ATOM 433 CA ARG C 196 -28.543 13.404 9.887 1.00 4.09 C +ATOM 434 C ARG C 196 -27.301 12.581 9.576 1.00 4.01 C +ATOM 435 O ARG C 196 -26.189 12.986 9.899 1.00 3.93 O +ATOM 436 CB ARG C 196 -28.751 14.450 8.791 1.00 4.12 C +ATOM 437 CG ARG C 196 -30.213 14.796 8.518 1.00 4.68 C +ATOM 438 CD ARG C 196 -30.351 15.726 7.310 1.00 5.36 C +ATOM 439 NE ARG C 196 -29.771 15.139 6.097 1.00 5.95 N +ATOM 440 CZ ARG C 196 -29.561 15.790 4.952 1.00 5.88 C +ATOM 441 NH1 ARG C 196 -29.879 17.078 4.826 1.00 5.81 N +ATOM 442 NH2 ARG C 196 -29.022 15.143 3.920 1.00 5.85 N +ATOM 443 N CYS C 197 -27.501 11.428 8.942 1.00 4.06 N +ATOM 444 CA CYS C 197 -26.392 10.604 8.474 1.00 4.18 C +ATOM 445 C CYS C 197 -25.545 11.387 7.477 1.00 4.02 C +ATOM 446 O CYS C 197 -26.077 12.150 6.671 1.00 3.93 O +ATOM 447 CB CYS C 197 -26.904 9.331 7.795 1.00 4.24 C +ATOM 448 SG CYS C 197 -27.713 8.148 8.890 1.00 5.37 S +ATOM 449 N THR C 198 -24.230 11.201 7.538 1.00 3.96 N +ATOM 450 CA THR C 198 -23.340 11.762 6.526 1.00 3.94 C +ATOM 451 C THR C 198 -23.502 10.973 5.231 1.00 3.95 C +ATOM 452 O THR C 198 -24.120 9.904 5.214 1.00 4.01 O +ATOM 453 CB THR C 198 -21.864 11.723 6.959 1.00 3.93 C +ATOM 454 OG1 THR C 198 -21.471 10.369 7.223 1.00 4.03 O +ATOM 455 CG2 THR C 198 -21.647 12.570 8.203 1.00 3.88 C +ATOM 456 N SER C 199 -22.943 11.503 4.150 1.00 3.98 N +ATOM 457 CA SER C 199 -23.031 10.852 2.842 1.00 3.98 C +ATOM 458 C SER C 199 -22.528 9.401 2.886 1.00 3.93 C +ATOM 459 O SER C 199 -23.140 8.507 2.294 1.00 3.87 O +ATOM 460 CB SER C 199 -22.254 11.651 1.796 1.00 3.96 C +ATOM 461 OG SER C 199 -22.571 11.198 0.495 1.00 4.16 O +ATOM 462 N ASP C 200 -21.427 9.174 3.601 1.00 3.83 N +ATOM 463 CA ASP C 200 -20.865 7.829 3.755 1.00 3.80 C +ATOM 464 C ASP C 200 -21.742 6.931 4.633 1.00 3.71 C +ATOM 465 O ASP C 200 -21.934 5.753 4.325 1.00 3.69 O +ATOM 466 CB ASP C 200 -19.452 7.899 4.340 1.00 3.75 C +ATOM 467 CG ASP C 200 -18.471 8.605 3.423 1.00 3.97 C +ATOM 468 OD1 ASP C 200 -17.330 8.865 3.867 1.00 3.86 O +ATOM 469 OD2 ASP C 200 -18.837 8.901 2.262 1.00 4.23 O +ATOM 470 N GLN C 201 -22.258 7.485 5.727 1.00 3.63 N +ATOM 471 CA GLN C 201 -23.107 6.728 6.650 1.00 3.61 C +ATOM 472 C GLN C 201 -24.367 6.221 5.952 1.00 3.59 C +ATOM 473 O GLN C 201 -24.750 5.066 6.120 1.00 3.58 O +ATOM 474 CB GLN C 201 -23.482 7.579 7.868 1.00 3.62 C +ATOM 475 CG GLN C 201 -22.351 7.742 8.879 1.00 3.66 C +ATOM 476 CD GLN C 201 -22.635 8.805 9.933 1.00 3.76 C +ATOM 477 OE1 GLN C 201 -23.259 9.829 9.649 1.00 3.63 O +ATOM 478 NE2 GLN C 201 -22.163 8.570 11.155 1.00 3.42 N +ATOM 479 N LEU C 202 -24.991 7.088 5.159 1.00 3.53 N +ATOM 480 CA LEU C 202 -26.195 6.735 4.411 1.00 3.53 C +ATOM 481 C LEU C 202 -25.943 5.561 3.472 1.00 3.54 C +ATOM 482 O LEU C 202 -26.746 4.629 3.402 1.00 3.61 O +ATOM 483 CB LEU C 202 -26.690 7.939 3.605 1.00 3.49 C +ATOM 484 CG LEU C 202 -27.973 7.764 2.784 1.00 3.56 C +ATOM 485 CD1 LEU C 202 -29.171 7.438 3.674 1.00 3.35 C +ATOM 486 CD2 LEU C 202 -28.243 9.016 1.953 1.00 3.53 C +ATOM 487 N HIS C 203 -24.824 5.619 2.757 1.00 3.53 N +ATOM 488 CA HIS C 203 -24.459 4.594 1.777 1.00 3.54 C +ATOM 489 C HIS C 203 -24.196 3.232 2.420 1.00 3.52 C +ATOM 490 O HIS C 203 -24.555 2.199 1.855 1.00 3.35 O +ATOM 491 CB HIS C 203 -23.224 5.040 0.987 1.00 3.53 C +ATOM 492 CG HIS C 203 -22.902 4.161 -0.181 1.00 3.66 C +ATOM 493 ND1 HIS C 203 -21.931 3.184 -0.133 1.00 3.63 N +ATOM 494 CD2 HIS C 203 -23.423 4.113 -1.431 1.00 3.78 C +ATOM 495 CE1 HIS C 203 -21.865 2.573 -1.303 1.00 3.67 C +ATOM 496 NE2 HIS C 203 -22.759 3.118 -2.108 1.00 3.89 N +ATOM 497 N ILE C 204 -23.563 3.241 3.593 1.00 3.56 N +ATOM 498 CA ILE C 204 -23.233 2.011 4.312 1.00 3.62 C +ATOM 499 C ILE C 204 -24.499 1.295 4.788 1.00 3.55 C +ATOM 500 O ILE C 204 -24.570 0.066 4.759 1.00 3.47 O +ATOM 501 CB ILE C 204 -22.288 2.295 5.501 1.00 3.75 C +ATOM 502 CG1 ILE C 204 -20.916 2.742 4.986 1.00 4.20 C +ATOM 503 CG2 ILE C 204 -22.108 1.050 6.360 1.00 3.98 C +ATOM 504 CD1 ILE C 204 -20.113 3.553 5.984 1.00 4.54 C +ATOM 505 N LEU C 205 -25.494 2.074 5.208 1.00 3.51 N +ATOM 506 CA LEU C 205 -26.802 1.542 5.595 1.00 3.47 C +ATOM 507 C LEU C 205 -27.534 0.894 4.422 1.00 3.43 C +ATOM 508 O LEU C 205 -28.311 -0.046 4.613 1.00 3.41 O +ATOM 509 CB LEU C 205 -27.675 2.652 6.190 1.00 3.56 C +ATOM 510 CG LEU C 205 -27.202 3.192 7.540 1.00 3.50 C +ATOM 511 CD1 LEU C 205 -27.869 4.518 7.856 1.00 3.57 C +ATOM 512 CD2 LEU C 205 -27.464 2.174 8.638 1.00 3.71 C +ATOM 513 N LYS C 206 -27.295 1.405 3.217 1.00 3.34 N +ATOM 514 CA LYS C 206 -27.869 0.819 2.007 1.00 3.39 C +ATOM 515 C LYS C 206 -27.160 -0.474 1.630 1.00 3.41 C +ATOM 516 O LYS C 206 -27.813 -1.485 1.354 1.00 3.43 O +ATOM 517 CB LYS C 206 -27.817 1.813 0.843 1.00 3.43 C +ATOM 518 CG LYS C 206 -28.837 2.932 0.972 1.00 3.55 C +ATOM 519 CD LYS C 206 -28.551 4.068 0.014 1.00 3.80 C +ATOM 520 CE LYS C 206 -29.612 5.151 0.125 1.00 3.79 C +ATOM 521 NZ LYS C 206 -29.391 6.255 -0.843 1.00 3.99 N +ATOM 522 N VAL C 207 -25.827 -0.437 1.638 1.00 3.38 N +ATOM 523 CA VAL C 207 -25.008 -1.584 1.256 1.00 3.36 C +ATOM 524 C VAL C 207 -25.208 -2.764 2.199 1.00 3.47 C +ATOM 525 O VAL C 207 -25.310 -3.903 1.753 1.00 3.27 O +ATOM 526 CB VAL C 207 -23.499 -1.225 1.205 1.00 3.32 C +ATOM 527 CG1 VAL C 207 -22.663 -2.468 0.964 1.00 3.09 C +ATOM 528 CG2 VAL C 207 -23.231 -0.204 0.119 1.00 3.13 C +ATOM 529 N LEU C 208 -25.267 -2.493 3.501 1.00 3.77 N +ATOM 530 CA LEU C 208 -25.478 -3.559 4.490 1.00 3.90 C +ATOM 531 C LEU C 208 -26.959 -3.938 4.655 1.00 4.02 C +ATOM 532 O LEU C 208 -27.306 -4.712 5.553 1.00 4.31 O +ATOM 533 CB LEU C 208 -24.840 -3.199 5.840 1.00 3.88 C +ATOM 534 CG LEU C 208 -23.317 -3.375 5.966 1.00 4.06 C +ATOM 535 CD1 LEU C 208 -22.839 -4.628 5.238 1.00 4.22 C +ATOM 536 CD2 LEU C 208 -22.562 -2.170 5.454 1.00 4.51 C +ATOM 537 N GLY C 209 -27.824 -3.395 3.798 1.00 3.95 N +ATOM 538 CA GLY C 209 -29.188 -3.909 3.631 1.00 4.01 C +ATOM 539 C GLY C 209 -30.248 -3.413 4.601 1.00 4.01 C +ATOM 540 O GLY C 209 -31.337 -3.989 4.681 1.00 4.01 O +ATOM 541 N ILE C 210 -29.949 -2.340 5.327 1.00 4.01 N +ATOM 542 CA ILE C 210 -30.884 -1.797 6.308 1.00 4.02 C +ATOM 543 C ILE C 210 -31.864 -0.838 5.646 1.00 4.05 C +ATOM 544 O ILE C 210 -33.074 -0.927 5.874 1.00 4.08 O +ATOM 545 CB ILE C 210 -30.153 -1.059 7.444 1.00 4.14 C +ATOM 546 CG1 ILE C 210 -29.127 -1.981 8.120 1.00 4.28 C +ATOM 547 CG2 ILE C 210 -31.160 -0.553 8.472 1.00 3.79 C +ATOM 548 CD1 ILE C 210 -29.752 -3.210 8.792 1.00 4.67 C +ATOM 549 N LEU C 211 -31.335 0.074 4.829 1.00 4.07 N +ATOM 550 CA LEU C 211 -32.152 1.084 4.141 1.00 4.08 C +ATOM 551 C LEU C 211 -32.323 0.761 2.656 1.00 3.97 C +ATOM 552 O LEU C 211 -31.427 0.183 2.042 1.00 3.93 O +ATOM 553 CB LEU C 211 -31.508 2.472 4.266 1.00 4.18 C +ATOM 554 CG LEU C 211 -31.608 3.203 5.610 1.00 4.19 C +ATOM 555 CD1 LEU C 211 -30.721 4.449 5.616 1.00 4.00 C +ATOM 556 CD2 LEU C 211 -33.042 3.569 5.902 1.00 3.67 C +ATOM 557 N PRO C 212 -33.478 1.133 2.071 1.00 3.94 N +ATOM 558 CA PRO C 212 -33.619 1.037 0.614 1.00 3.89 C +ATOM 559 C PRO C 212 -32.654 1.975 -0.121 1.00 3.84 C +ATOM 560 O PRO C 212 -32.321 3.044 0.389 1.00 3.83 O +ATOM 561 CB PRO C 212 -35.075 1.450 0.364 1.00 3.84 C +ATOM 562 CG PRO C 212 -35.532 2.109 1.614 1.00 3.96 C +ATOM 563 CD PRO C 212 -34.740 1.525 2.724 1.00 3.90 C +ATOM 564 N PHE C 213 -32.219 1.577 -1.311 1.00 3.81 N +ATOM 565 CA PHE C 213 -31.201 2.339 -2.044 1.00 3.88 C +ATOM 566 C PHE C 213 -31.691 3.702 -2.550 1.00 3.82 C +ATOM 567 O PHE C 213 -30.878 4.595 -2.794 1.00 3.86 O +ATOM 568 CB PHE C 213 -30.616 1.514 -3.197 1.00 3.85 C +ATOM 569 CG PHE C 213 -29.377 0.737 -2.825 1.00 4.12 C +ATOM 570 CD1 PHE C 213 -29.472 -0.504 -2.208 1.00 4.33 C +ATOM 571 CD2 PHE C 213 -28.111 1.245 -3.103 1.00 4.30 C +ATOM 572 CE1 PHE C 213 -28.324 -1.226 -1.871 1.00 4.13 C +ATOM 573 CE2 PHE C 213 -26.960 0.532 -2.766 1.00 4.21 C +ATOM 574 CZ PHE C 213 -27.070 -0.704 -2.149 1.00 4.22 C +ATOM 575 N ASN C 214 -33.005 3.861 -2.701 1.00 3.79 N +ATOM 576 CA ASN C 214 -33.590 5.144 -3.121 1.00 3.75 C +ATOM 577 C ASN C 214 -33.606 6.219 -2.032 1.00 3.69 C +ATOM 578 O ASN C 214 -33.776 7.396 -2.339 1.00 3.78 O +ATOM 579 CB ASN C 214 -35.019 4.947 -3.641 1.00 3.73 C +ATOM 580 CG ASN C 214 -35.066 4.233 -4.985 1.00 3.88 C +ATOM 581 OD1 ASN C 214 -34.062 4.135 -5.695 1.00 3.73 O +ATOM 582 ND2 ASN C 214 -36.249 3.739 -5.347 1.00 3.81 N +ATOM 583 N ALA C 215 -33.436 5.819 -0.774 1.00 3.67 N +ATOM 584 CA ALA C 215 -33.511 6.749 0.358 1.00 3.71 C +ATOM 585 C ALA C 215 -32.524 7.915 0.212 1.00 3.78 C +ATOM 586 O ALA C 215 -31.319 7.697 0.120 1.00 3.67 O +ATOM 587 CB ALA C 215 -33.261 6.016 1.662 1.00 3.69 C +ATOM 588 N PRO C 216 -33.039 9.158 0.190 1.00 3.88 N +ATOM 589 CA PRO C 216 -32.186 10.327 -0.024 1.00 4.00 C +ATOM 590 C PRO C 216 -31.414 10.754 1.221 1.00 4.05 C +ATOM 591 O PRO C 216 -30.389 11.427 1.109 1.00 4.09 O +ATOM 592 CB PRO C 216 -33.190 11.417 -0.415 1.00 3.95 C +ATOM 593 CG PRO C 216 -34.418 11.049 0.308 1.00 3.92 C +ATOM 594 CD PRO C 216 -34.451 9.543 0.365 1.00 3.84 C +ATOM 595 N SER C 217 -31.919 10.377 2.392 1.00 4.10 N +ATOM 596 CA SER C 217 -31.305 10.747 3.661 1.00 4.12 C +ATOM 597 C SER C 217 -31.679 9.729 4.725 1.00 4.14 C +ATOM 598 O SER C 217 -32.429 8.791 4.463 1.00 4.23 O +ATOM 599 CB SER C 217 -31.782 12.134 4.099 1.00 4.17 C +ATOM 600 OG SER C 217 -33.134 12.096 4.545 1.00 4.27 O +ATOM 601 N CYS C 218 -31.156 9.927 5.927 1.00 4.17 N +ATOM 602 CA CYS C 218 -31.546 9.115 7.070 1.00 4.25 C +ATOM 603 C CYS C 218 -31.220 9.844 8.364 1.00 4.25 C +ATOM 604 O CYS C 218 -30.131 10.405 8.517 1.00 4.47 O +ATOM 605 CB CYS C 218 -30.846 7.761 7.038 1.00 4.22 C +ATOM 606 SG CYS C 218 -31.265 6.702 8.436 1.00 5.11 S +ATOM 607 N GLY C 219 -32.175 9.834 9.287 1.00 4.17 N +ATOM 608 CA GLY C 219 -32.007 10.470 10.588 1.00 4.18 C +ATOM 609 C GLY C 219 -31.246 9.600 11.574 1.00 4.20 C +ATOM 610 O GLY C 219 -31.074 8.393 11.365 1.00 4.29 O +ATOM 611 N LEU C 220 -30.792 10.230 12.653 1.00 4.08 N +ATOM 612 CA LEU C 220 -30.093 9.541 13.731 1.00 4.05 C +ATOM 613 C LEU C 220 -30.538 10.080 15.088 1.00 4.08 C +ATOM 614 O LEU C 220 -30.805 11.275 15.250 1.00 4.20 O +ATOM 615 CB LEU C 220 -28.576 9.697 13.591 1.00 3.94 C +ATOM 616 CG LEU C 220 -27.906 8.965 12.427 1.00 3.83 C +ATOM 617 CD1 LEU C 220 -26.443 9.366 12.330 1.00 3.33 C +ATOM 618 CD2 LEU C 220 -28.050 7.452 12.566 1.00 3.37 C +ATOM 619 N ILE C 221 -30.616 9.177 16.056 1.00 3.97 N +ATOM 620 CA ILE C 221 -30.958 9.522 17.420 1.00 3.86 C +ATOM 621 C ILE C 221 -29.987 8.776 18.329 1.00 3.83 C +ATOM 622 O ILE C 221 -29.677 7.608 18.088 1.00 3.75 O +ATOM 623 CB ILE C 221 -32.431 9.153 17.723 1.00 3.88 C +ATOM 624 CG1 ILE C 221 -32.864 9.717 19.074 1.00 3.92 C +ATOM 625 CG2 ILE C 221 -32.648 7.646 17.666 1.00 3.71 C +ATOM 626 CD1 ILE C 221 -34.365 9.705 19.268 1.00 3.89 C +ATOM 627 N THR C 222 -29.479 9.456 19.353 1.00 3.78 N +ATOM 628 CA THR C 222 -28.534 8.824 20.274 1.00 3.70 C +ATOM 629 C THR C 222 -29.254 7.767 21.104 1.00 3.64 C +ATOM 630 O THR C 222 -30.468 7.844 21.309 1.00 3.77 O +ATOM 631 CB THR C 222 -27.851 9.844 21.212 1.00 3.68 C +ATOM 632 OG1 THR C 222 -28.829 10.458 22.061 1.00 3.93 O +ATOM 633 CG2 THR C 222 -27.127 10.917 20.410 1.00 3.44 C +ATOM 634 N LEU C 223 -28.506 6.774 21.566 1.00 3.66 N +ATOM 635 CA LEU C 223 -29.070 5.703 22.386 1.00 3.59 C +ATOM 636 C LEU C 223 -29.737 6.257 23.645 1.00 3.61 C +ATOM 637 O LEU C 223 -30.783 5.762 24.060 1.00 3.63 O +ATOM 638 CB LEU C 223 -27.994 4.681 22.769 1.00 3.51 C +ATOM 639 CG LEU C 223 -28.451 3.509 23.642 1.00 3.40 C +ATOM 640 CD1 LEU C 223 -29.701 2.866 23.065 1.00 3.48 C +ATOM 641 CD2 LEU C 223 -27.344 2.479 23.805 1.00 2.82 C +ATOM 642 N THR C 224 -29.129 7.281 24.241 1.00 3.56 N +ATOM 643 CA THR C 224 -29.691 7.934 25.419 1.00 3.58 C +ATOM 644 C THR C 224 -31.033 8.583 25.082 1.00 3.61 C +ATOM 645 O THR C 224 -32.044 8.290 25.721 1.00 3.64 O +ATOM 646 CB THR C 224 -28.721 8.990 25.989 1.00 3.56 C +ATOM 647 OG1 THR C 224 -27.576 8.333 26.549 1.00 4.00 O +ATOM 648 CG2 THR C 224 -29.388 9.827 27.068 1.00 3.44 C +ATOM 649 N ASP C 225 -31.033 9.454 24.075 1.00 3.62 N +ATOM 650 CA ASP C 225 -32.255 10.135 23.636 1.00 3.69 C +ATOM 651 C ASP C 225 -33.344 9.136 23.223 1.00 3.69 C +ATOM 652 O ASP C 225 -34.518 9.320 23.546 1.00 3.61 O +ATOM 653 CB ASP C 225 -31.963 11.106 22.475 1.00 3.72 C +ATOM 654 CG ASP C 225 -31.323 12.426 22.933 1.00 3.72 C +ATOM 655 OD1 ASP C 225 -31.182 12.655 24.155 1.00 4.27 O +ATOM 656 OD2 ASP C 225 -30.967 13.248 22.059 1.00 2.85 O +ATOM 657 N ALA C 226 -32.947 8.081 22.516 1.00 3.71 N +ATOM 658 CA ALA C 226 -33.889 7.046 22.071 1.00 3.71 C +ATOM 659 C ALA C 226 -34.550 6.336 23.254 1.00 3.65 C +ATOM 660 O ALA C 226 -35.736 6.004 23.210 1.00 3.49 O +ATOM 661 CB ALA C 226 -33.178 6.030 21.175 1.00 3.65 C +ATOM 662 N GLN C 227 -33.768 6.109 24.305 1.00 3.69 N +ATOM 663 CA GLN C 227 -34.258 5.439 25.505 1.00 3.71 C +ATOM 664 C GLN C 227 -35.170 6.350 26.326 1.00 3.67 C +ATOM 665 O GLN C 227 -36.218 5.907 26.802 1.00 3.61 O +ATOM 666 CB GLN C 227 -33.091 4.890 26.335 1.00 3.70 C +ATOM 667 CG GLN C 227 -32.532 3.598 25.740 1.00 3.89 C +ATOM 668 CD GLN C 227 -31.326 3.040 26.474 1.00 4.49 C +ATOM 669 OE1 GLN C 227 -30.651 3.740 27.231 1.00 5.11 O +ATOM 670 NE2 GLN C 227 -31.041 1.767 26.236 1.00 4.58 N +ATOM 671 N ARG C 228 -34.782 7.619 26.473 1.00 3.63 N +ATOM 672 CA ARG C 228 -35.669 8.635 27.061 1.00 3.61 C +ATOM 673 C ARG C 228 -36.989 8.666 26.313 1.00 3.51 C +ATOM 674 O ARG C 228 -38.060 8.678 26.919 1.00 3.51 O +ATOM 675 CB ARG C 228 -35.059 10.033 26.966 1.00 3.62 C +ATOM 676 CG ARG C 228 -33.866 10.287 27.851 1.00 3.72 C +ATOM 677 CD ARG C 228 -33.312 11.679 27.587 1.00 3.79 C +ATOM 678 NE ARG C 228 -34.182 12.723 28.129 1.00 3.66 N +ATOM 679 CZ ARG C 228 -34.290 13.962 27.648 1.00 3.57 C +ATOM 680 NH1 ARG C 228 -33.595 14.355 26.581 1.00 3.18 N +ATOM 681 NH2 ARG C 228 -35.119 14.818 28.237 1.00 3.84 N +ATOM 682 N LEU C 229 -36.891 8.695 24.986 1.00 3.47 N +ATOM 683 CA LEU C 229 -38.059 8.773 24.113 1.00 3.51 C +ATOM 684 C LEU C 229 -38.987 7.570 24.297 1.00 3.59 C +ATOM 685 O LEU C 229 -40.205 7.735 24.419 1.00 3.58 O +ATOM 686 CB LEU C 229 -37.619 8.892 22.650 1.00 3.43 C +ATOM 687 CG LEU C 229 -38.706 9.019 21.580 1.00 3.26 C +ATOM 688 CD1 LEU C 229 -39.635 10.199 21.852 1.00 2.79 C +ATOM 689 CD2 LEU C 229 -38.053 9.148 20.214 1.00 2.80 C +ATOM 690 N CYS C 230 -38.408 6.372 24.326 1.00 3.62 N +ATOM 691 CA CYS C 230 -39.186 5.147 24.509 1.00 3.80 C +ATOM 692 C CYS C 230 -39.857 5.090 25.880 1.00 3.90 C +ATOM 693 O CYS C 230 -40.990 4.617 26.001 1.00 3.84 O +ATOM 694 CB CYS C 230 -38.315 3.913 24.304 1.00 3.81 C +ATOM 695 SG CYS C 230 -37.920 3.606 22.576 1.00 4.38 S +ATOM 696 N ASN C 231 -39.159 5.576 26.903 1.00 3.96 N +ATOM 697 CA ASN C 231 -39.728 5.664 28.246 1.00 3.95 C +ATOM 698 C ASN C 231 -40.979 6.525 28.281 1.00 3.98 C +ATOM 699 O ASN C 231 -42.007 6.112 28.821 1.00 4.13 O +ATOM 700 CB ASN C 231 -38.706 6.224 29.237 1.00 4.05 C +ATOM 701 CG ASN C 231 -37.677 5.202 29.653 1.00 4.10 C +ATOM 702 OD1 ASN C 231 -37.981 4.017 29.789 1.00 4.44 O +ATOM 703 ND2 ASN C 231 -36.451 5.656 29.874 1.00 4.21 N +ATOM 704 N ALA C 232 -40.888 7.716 27.693 1.00 3.88 N +ATOM 705 CA ALA C 232 -41.981 8.690 27.743 1.00 3.74 C +ATOM 706 C ALA C 232 -43.274 8.177 27.106 1.00 3.68 C +ATOM 707 O ALA C 232 -44.368 8.501 27.573 1.00 3.86 O +ATOM 708 CB ALA C 232 -41.552 9.996 27.087 1.00 3.73 C +ATOM 709 N LEU C 233 -43.145 7.369 26.057 1.00 3.58 N +ATOM 710 CA LEU C 233 -44.299 6.907 25.279 1.00 3.54 C +ATOM 711 C LEU C 233 -44.840 5.558 25.752 1.00 3.57 C +ATOM 712 O LEU C 233 -46.052 5.393 25.903 1.00 3.68 O +ATOM 713 CB LEU C 233 -43.931 6.819 23.796 1.00 3.56 C +ATOM 714 CG LEU C 233 -43.604 8.150 23.113 1.00 3.51 C +ATOM 715 CD1 LEU C 233 -42.809 7.927 21.830 1.00 3.32 C +ATOM 716 CD2 LEU C 233 -44.883 8.927 22.838 1.00 3.25 C +ATOM 717 N LEU C 234 -43.945 4.600 25.979 1.00 3.56 N +ATOM 718 CA LEU C 234 -44.340 3.237 26.356 1.00 3.56 C +ATOM 719 C LEU C 234 -44.646 3.089 27.849 1.00 3.60 C +ATOM 720 O LEU C 234 -45.475 2.262 28.230 1.00 3.46 O +ATOM 721 CB LEU C 234 -43.255 2.230 25.949 1.00 3.52 C +ATOM 722 CG LEU C 234 -43.216 1.871 24.460 1.00 3.47 C +ATOM 723 CD1 LEU C 234 -41.833 1.382 24.028 1.00 2.86 C +ATOM 724 CD2 LEU C 234 -44.284 0.833 24.151 1.00 3.03 C +ATOM 725 N ARG C 235 -43.961 3.873 28.683 1.00 3.71 N +ATOM 726 CA ARG C 235 -44.109 3.792 30.139 1.00 3.79 C +ATOM 727 C ARG C 235 -44.253 5.183 30.756 1.00 3.89 C +ATOM 728 O ARG C 235 -43.426 5.589 31.578 1.00 3.96 O +ATOM 729 CB ARG C 235 -42.904 3.079 30.758 1.00 3.77 C +ATOM 730 CG ARG C 235 -42.716 1.641 30.307 1.00 3.93 C +ATOM 731 CD ARG C 235 -41.331 1.130 30.668 1.00 3.94 C +ATOM 732 NE ARG C 235 -40.296 1.720 29.824 1.00 4.09 N +ATOM 733 CZ ARG C 235 -39.947 1.277 28.615 1.00 4.35 C +ATOM 734 NH1 ARG C 235 -40.548 0.221 28.071 1.00 4.81 N +ATOM 735 NH2 ARG C 235 -38.984 1.896 27.940 1.00 4.02 N +ATOM 736 N PRO C 236 -45.314 5.917 30.377 1.00 4.02 N +ATOM 737 CA PRO C 236 -45.512 7.263 30.919 1.00 4.07 C +ATOM 738 C PRO C 236 -45.818 7.247 32.416 1.00 4.12 C +ATOM 739 O PRO C 236 -46.015 6.174 32.993 1.00 4.21 O +ATOM 740 CB PRO C 236 -46.718 7.785 30.130 1.00 4.07 C +ATOM 741 CG PRO C 236 -47.479 6.564 29.758 1.00 3.99 C +ATOM 742 CD PRO C 236 -46.446 5.493 29.531 1.00 4.06 C +ATOM 743 N ARG C 237 -45.850 8.433 33.020 1.00 4.17 N +ATOM 744 CA AARG C 237 -46.155 8.581 34.445 0.50 4.18 C +ATOM 745 CA BARG C 237 -46.148 8.585 34.449 0.50 4.18 C +ATOM 746 C ARG C 237 -46.994 9.829 34.691 1.00 4.18 C +ATOM 747 O ARG C 237 -48.074 9.750 35.279 1.00 4.34 O +ATOM 748 CB AARG C 237 -44.860 8.635 35.259 0.50 4.20 C +ATOM 749 CB BARG C 237 -44.854 8.675 35.264 0.50 4.20 C +ATOM 750 CG AARG C 237 -44.339 7.266 35.679 0.50 4.21 C +ATOM 751 CG BARG C 237 -44.227 7.329 35.609 0.50 4.23 C +ATOM 752 CD AARG C 237 -42.897 7.058 35.241 0.50 4.27 C +ATOM 753 CD BARG C 237 -42.789 7.506 36.079 0.50 4.29 C +ATOM 754 NE AARG C 237 -42.081 8.256 35.421 0.50 4.22 N +ATOM 755 NE BARG C 237 -42.224 6.286 36.650 0.50 4.29 N +ATOM 756 CZ AARG C 237 -40.872 8.422 34.895 0.50 3.97 C +ATOM 757 CZ BARG C 237 -41.834 6.168 37.914 0.50 4.21 C +ATOM 758 NH1AARG C 237 -40.333 7.466 34.150 0.50 3.72 N +ATOM 759 NH1BARG C 237 -41.940 7.200 38.739 0.50 4.14 N +ATOM 760 NH2AARG C 237 -40.204 9.547 35.112 0.50 3.94 N +ATOM 761 NH2BARG C 237 -41.328 5.023 38.353 0.50 4.16 N Added: SwiftApps/modFTdock/input/indata/3eq5-4.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3eq5-4.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3eq5-4.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,748 @@ +ATOM 1 N SER D 141 -46.679 -9.707 -14.351 1.00 4.29 N +ATOM 2 CA SER D 141 -46.407 -10.391 -13.053 1.00 4.29 C +ATOM 3 C SER D 141 -45.166 -9.816 -12.372 1.00 4.28 C +ATOM 4 O SER D 141 -45.180 -9.565 -11.167 1.00 4.33 O +ATOM 5 CB SER D 141 -46.232 -11.897 -13.268 1.00 4.30 C +ATOM 6 OG SER D 141 -46.041 -12.572 -12.035 1.00 4.30 O +ATOM 7 N THR D 142 -44.102 -9.621 -13.151 1.00 4.26 N +ATOM 8 CA THR D 142 -42.836 -9.067 -12.646 1.00 4.22 C +ATOM 9 C THR D 142 -42.602 -7.609 -13.076 1.00 4.21 C +ATOM 10 O THR D 142 -41.577 -7.015 -12.733 1.00 4.15 O +ATOM 11 CB THR D 142 -41.631 -9.929 -13.096 1.00 4.22 C +ATOM 12 OG1 THR D 142 -40.424 -9.406 -12.526 1.00 4.30 O +ATOM 13 CG2 THR D 142 -41.509 -9.958 -14.621 1.00 4.17 C +ATOM 14 N GLU D 143 -43.554 -7.041 -13.815 1.00 4.19 N +ATOM 15 CA GLU D 143 -43.453 -5.665 -14.300 1.00 4.20 C +ATOM 16 C GLU D 143 -43.848 -4.665 -13.206 1.00 4.14 C +ATOM 17 O GLU D 143 -45.030 -4.527 -12.878 1.00 4.22 O +ATOM 18 CB GLU D 143 -44.342 -5.485 -15.535 1.00 4.27 C +ATOM 19 CG GLU D 143 -44.114 -4.182 -16.300 1.00 4.59 C +ATOM 20 CD GLU D 143 -44.844 -4.143 -17.640 1.00 4.99 C +ATOM 21 OE1 GLU D 143 -45.786 -4.943 -17.841 1.00 5.32 O +ATOM 22 OE2 GLU D 143 -44.476 -3.308 -18.494 1.00 5.27 O +ATOM 23 N LEU D 144 -42.854 -3.969 -12.653 1.00 4.05 N +ATOM 24 CA LEU D 144 -43.074 -3.024 -11.553 1.00 3.97 C +ATOM 25 C LEU D 144 -43.435 -1.633 -12.066 1.00 3.92 C +ATOM 26 O LEU D 144 -42.712 -1.054 -12.876 1.00 3.92 O +ATOM 27 CB LEU D 144 -41.835 -2.947 -10.649 1.00 4.00 C +ATOM 28 CG LEU D 144 -41.855 -1.902 -9.521 1.00 4.04 C +ATOM 29 CD1 LEU D 144 -41.169 -2.421 -8.273 1.00 4.26 C +ATOM 30 CD2 LEU D 144 -41.214 -0.593 -9.967 1.00 4.20 C +ATOM 31 N THR D 145 -44.555 -1.108 -11.572 1.00 3.90 N +ATOM 32 CA THR D 145 -45.034 0.231 -11.921 1.00 3.89 C +ATOM 33 C THR D 145 -45.427 0.979 -10.635 1.00 3.90 C +ATOM 34 O THR D 145 -45.005 0.592 -9.541 1.00 3.83 O +ATOM 35 CB THR D 145 -46.209 0.150 -12.935 1.00 3.86 C +ATOM 36 OG1 THR D 145 -46.580 1.467 -13.362 1.00 3.85 O +ATOM 37 CG2 THR D 145 -47.412 -0.552 -12.328 1.00 3.91 C +ATOM 38 N GLN D 146 -46.210 2.051 -10.758 1.00 3.96 N +ATOM 39 CA GLN D 146 -46.636 2.828 -9.585 1.00 4.02 C +ATOM 40 C GLN D 146 -48.006 3.494 -9.768 1.00 3.96 C +ATOM 41 O GLN D 146 -48.362 3.915 -10.866 1.00 3.87 O +ATOM 42 CB GLN D 146 -45.579 3.881 -9.232 1.00 4.04 C +ATOM 43 CG GLN D 146 -45.241 4.841 -10.367 1.00 4.43 C +ATOM 44 CD GLN D 146 -44.172 5.855 -9.986 1.00 5.24 C +ATOM 45 OE1 GLN D 146 -43.312 5.587 -9.140 1.00 5.71 O +ATOM 46 NE2 GLN D 146 -44.218 7.027 -10.618 1.00 5.34 N +ATOM 47 N THR D 147 -48.757 3.587 -8.673 1.00 4.03 N +ATOM 48 CA THR D 147 -50.114 4.140 -8.680 1.00 4.05 C +ATOM 49 C THR D 147 -50.343 5.036 -7.457 1.00 4.04 C +ATOM 50 O THR D 147 -49.786 4.793 -6.389 1.00 4.14 O +ATOM 51 CB THR D 147 -51.170 3.014 -8.700 1.00 3.97 C +ATOM 52 OG1 THR D 147 -52.472 3.572 -8.907 1.00 4.47 O +ATOM 53 CG2 THR D 147 -51.162 2.238 -7.397 1.00 4.03 C +ATOM 54 N VAL D 148 -51.169 6.066 -7.623 1.00 4.07 N +ATOM 55 CA VAL D 148 -51.400 7.063 -6.574 1.00 4.06 C +ATOM 56 C VAL D 148 -52.373 6.564 -5.504 1.00 4.06 C +ATOM 57 O VAL D 148 -53.483 6.128 -5.820 1.00 4.13 O +ATOM 58 CB VAL D 148 -51.959 8.383 -7.166 1.00 4.04 C +ATOM 59 CG1 VAL D 148 -52.301 9.372 -6.057 1.00 4.13 C +ATOM 60 CG2 VAL D 148 -50.962 8.998 -8.128 1.00 3.95 C +ATOM 61 N LEU D 149 -51.946 6.644 -4.243 1.00 4.02 N +ATOM 62 CA LEU D 149 -52.813 6.375 -3.093 1.00 4.02 C +ATOM 63 C LEU D 149 -52.687 7.512 -2.076 1.00 4.03 C +ATOM 64 O LEU D 149 -51.600 7.769 -1.564 1.00 4.01 O +ATOM 65 CB LEU D 149 -52.444 5.047 -2.430 1.00 4.08 C +ATOM 66 CG LEU D 149 -53.388 4.567 -1.320 1.00 4.03 C +ATOM 67 CD1 LEU D 149 -54.774 4.280 -1.880 1.00 3.62 C +ATOM 68 CD2 LEU D 149 -52.826 3.333 -0.637 1.00 3.85 C +ATOM 69 N GLU D 150 -53.804 8.185 -1.798 1.00 4.01 N +ATOM 70 CA GLU D 150 -53.849 9.325 -0.873 1.00 3.95 C +ATOM 71 C GLU D 150 -52.773 10.372 -1.176 1.00 3.91 C +ATOM 72 O GLU D 150 -52.123 10.892 -0.269 1.00 3.86 O +ATOM 73 CB GLU D 150 -53.735 8.845 0.579 1.00 3.97 C +ATOM 74 CG GLU D 150 -54.845 7.886 1.020 1.00 4.10 C +ATOM 75 CD GLU D 150 -56.224 8.531 1.074 1.00 4.33 C +ATOM 76 OE1 GLU D 150 -56.310 9.770 1.233 1.00 4.47 O +ATOM 77 OE2 GLU D 150 -57.227 7.790 0.965 1.00 4.19 O +ATOM 78 N GLY D 151 -52.590 10.668 -2.461 1.00 3.94 N +ATOM 79 CA GLY D 151 -51.634 11.684 -2.908 1.00 3.94 C +ATOM 80 C GLY D 151 -50.193 11.212 -2.981 1.00 4.02 C +ATOM 81 O GLY D 151 -49.314 11.968 -3.399 1.00 4.04 O +ATOM 82 N GLU D 152 -49.948 9.965 -2.583 1.00 4.07 N +ATOM 83 CA GLU D 152 -48.602 9.398 -2.561 1.00 4.16 C +ATOM 84 C GLU D 152 -48.441 8.337 -3.642 1.00 4.08 C +ATOM 85 O GLU D 152 -49.362 7.564 -3.905 1.00 4.15 O +ATOM 86 CB GLU D 152 -48.305 8.800 -1.186 1.00 4.22 C +ATOM 87 CG GLU D 152 -47.991 9.852 -0.135 1.00 4.86 C +ATOM 88 CD GLU D 152 -48.210 9.355 1.281 1.00 5.83 C +ATOM 89 OE1 GLU D 152 -47.887 8.179 1.560 1.00 6.49 O +ATOM 90 OE2 GLU D 152 -48.701 10.145 2.118 1.00 6.30 O +ATOM 91 N SER D 153 -47.263 8.312 -4.259 1.00 4.06 N +ATOM 92 CA SER D 153 -46.956 7.369 -5.332 1.00 3.99 C +ATOM 93 C SER D 153 -46.432 6.052 -4.756 1.00 3.85 C +ATOM 94 O SER D 153 -45.259 5.948 -4.398 1.00 3.89 O +ATOM 95 CB SER D 153 -45.931 7.985 -6.291 1.00 3.99 C +ATOM 96 OG SER D 153 -45.684 7.137 -7.400 1.00 4.39 O +ATOM 97 N ILE D 154 -47.316 5.058 -4.665 1.00 3.74 N +ATOM 98 CA ILE D 154 -46.974 3.732 -4.141 1.00 3.64 C +ATOM 99 C ILE D 154 -46.567 2.791 -5.271 1.00 3.64 C +ATOM 100 O ILE D 154 -47.250 2.723 -6.293 1.00 3.75 O +ATOM 101 CB ILE D 154 -48.173 3.086 -3.416 1.00 3.66 C +ATOM 102 CG1 ILE D 154 -48.698 3.991 -2.289 1.00 3.64 C +ATOM 103 CG2 ILE D 154 -47.788 1.712 -2.876 1.00 3.33 C +ATOM 104 CD1 ILE D 154 -47.703 4.233 -1.162 1.00 3.34 C +ATOM 105 N SER D 155 -45.472 2.057 -5.075 1.00 3.55 N +ATOM 106 CA SER D 155 -44.996 1.078 -6.058 1.00 3.57 C +ATOM 107 C SER D 155 -45.912 -0.142 -6.100 1.00 3.59 C +ATOM 108 O SER D 155 -46.360 -0.628 -5.061 1.00 3.64 O +ATOM 109 CB SER D 155 -43.564 0.632 -5.738 1.00 3.51 C +ATOM 110 OG SER D 155 -42.645 1.700 -5.907 1.00 3.46 O +ATOM 111 N CYS D 156 -46.181 -0.639 -7.302 1.00 3.60 N +ATOM 112 CA CYS D 156 -47.116 -1.747 -7.468 1.00 3.64 C +ATOM 113 C CYS D 156 -46.786 -2.635 -8.660 1.00 3.63 C +ATOM 114 O CYS D 156 -46.081 -2.225 -9.584 1.00 3.56 O +ATOM 115 CB CYS D 156 -48.542 -1.209 -7.615 1.00 3.68 C +ATOM 116 SG CYS D 156 -48.820 -0.221 -9.106 1.00 3.74 S +ATOM 117 N PHE D 157 -47.314 -3.856 -8.623 1.00 3.60 N +ATOM 118 CA PHE D 157 -47.148 -4.817 -9.707 1.00 3.62 C +ATOM 119 C PHE D 157 -48.457 -4.980 -10.475 1.00 3.66 C +ATOM 120 O PHE D 157 -49.489 -5.293 -9.884 1.00 3.67 O +ATOM 121 CB PHE D 157 -46.717 -6.175 -9.152 1.00 3.59 C +ATOM 122 CG PHE D 157 -45.315 -6.197 -8.606 1.00 3.38 C +ATOM 123 CD1 PHE D 157 -45.087 -6.282 -7.238 1.00 3.19 C +ATOM 124 CD2 PHE D 157 -44.225 -6.145 -9.461 1.00 3.16 C +ATOM 125 CE1 PHE D 157 -43.796 -6.308 -6.736 1.00 3.42 C +ATOM 126 CE2 PHE D 157 -42.932 -6.170 -8.966 1.00 3.11 C +ATOM 127 CZ PHE D 157 -42.715 -6.253 -7.605 1.00 3.04 C +ATOM 128 N GLN D 158 -48.412 -4.766 -11.789 1.00 3.77 N +ATOM 129 CA GLN D 158 -49.580 -4.985 -12.644 1.00 3.85 C +ATOM 130 C GLN D 158 -49.721 -6.478 -12.944 1.00 3.86 C +ATOM 131 O GLN D 158 -48.979 -7.028 -13.760 1.00 3.84 O +ATOM 132 CB GLN D 158 -49.471 -4.177 -13.945 1.00 3.88 C +ATOM 133 CG GLN D 158 -50.736 -4.192 -14.819 1.00 4.00 C +ATOM 134 CD GLN D 158 -51.902 -3.430 -14.200 1.00 4.10 C +ATOM 135 OE1 GLN D 158 -51.806 -2.232 -13.939 1.00 4.20 O +ATOM 136 NE2 GLN D 158 -53.013 -4.123 -13.975 1.00 4.19 N +ATOM 137 N VAL D 159 -50.673 -7.124 -12.271 1.00 3.90 N +ATOM 138 CA VAL D 159 -50.923 -8.556 -12.438 1.00 3.92 C +ATOM 139 C VAL D 159 -52.216 -8.762 -13.224 1.00 4.04 C +ATOM 140 O VAL D 159 -53.230 -9.215 -12.685 1.00 4.16 O +ATOM 141 CB VAL D 159 -51.007 -9.281 -11.075 1.00 3.91 C +ATOM 142 CG1 VAL D 159 -51.060 -10.794 -11.271 1.00 3.71 C +ATOM 143 CG2 VAL D 159 -49.827 -8.898 -10.202 1.00 3.76 C +ATOM 144 N GLY D 160 -52.170 -8.402 -14.503 1.00 4.08 N +ATOM 145 CA GLY D 160 -53.299 -8.588 -15.409 1.00 4.11 C +ATOM 146 C GLY D 160 -54.611 -8.030 -14.891 1.00 4.21 C +ATOM 147 O GLY D 160 -55.504 -8.785 -14.495 1.00 4.46 O +ATOM 148 N GLY D 161 -54.730 -6.706 -14.892 1.00 4.19 N +ATOM 149 CA GLY D 161 -55.979 -6.040 -14.503 1.00 4.16 C +ATOM 150 C GLY D 161 -55.976 -5.505 -13.085 1.00 4.09 C +ATOM 151 O GLY D 161 -56.523 -4.434 -12.826 1.00 4.16 O +ATOM 152 N GLU D 162 -55.377 -6.259 -12.167 1.00 4.00 N +ATOM 153 CA GLU D 162 -55.231 -5.831 -10.777 1.00 3.96 C +ATOM 154 C GLU D 162 -53.842 -5.253 -10.535 1.00 3.91 C +ATOM 155 O GLU D 162 -52.838 -5.837 -10.951 1.00 3.84 O +ATOM 156 CB GLU D 162 -55.442 -7.004 -9.818 1.00 3.98 C +ATOM 157 CG GLU D 162 -56.863 -7.183 -9.325 1.00 4.30 C +ATOM 158 CD GLU D 162 -56.980 -8.278 -8.270 1.00 4.77 C +ATOM 159 OE1 GLU D 162 -55.932 -8.719 -7.738 1.00 4.74 O +ATOM 160 OE2 GLU D 162 -58.122 -8.701 -7.976 1.00 4.88 O +ATOM 161 N LYS D 163 -53.793 -4.112 -9.854 1.00 3.86 N +ATOM 162 CA LYS D 163 -52.537 -3.566 -9.355 1.00 3.84 C +ATOM 163 C LYS D 163 -52.355 -4.027 -7.915 1.00 3.83 C +ATOM 164 O LYS D 163 -53.237 -3.819 -7.080 1.00 3.76 O +ATOM 165 CB LYS D 163 -52.530 -2.039 -9.447 1.00 3.78 C +ATOM 166 CG LYS D 163 -52.428 -1.537 -10.875 1.00 3.92 C +ATOM 167 CD LYS D 163 -52.545 -0.026 -10.980 1.00 4.14 C +ATOM 168 CE LYS D 163 -52.703 0.407 -12.434 1.00 4.34 C +ATOM 169 NZ LYS D 163 -53.066 1.842 -12.565 1.00 4.76 N +ATOM 170 N ARG D 164 -51.225 -4.677 -7.643 1.00 3.80 N +ATOM 171 CA ARG D 164 -50.881 -5.130 -6.297 1.00 3.87 C +ATOM 172 C ARG D 164 -49.884 -4.143 -5.691 1.00 3.81 C +ATOM 173 O ARG D 164 -48.733 -4.085 -6.121 1.00 3.97 O +ATOM 174 CB ARG D 164 -50.259 -6.529 -6.341 1.00 3.93 C +ATOM 175 CG ARG D 164 -51.080 -7.597 -7.064 1.00 4.44 C +ATOM 176 CD ARG D 164 -52.239 -8.142 -6.222 1.00 5.01 C +ATOM 177 NE ARG D 164 -52.272 -9.608 -6.253 1.00 5.40 N +ATOM 178 CZ ARG D 164 -52.696 -10.347 -7.278 1.00 5.87 C +ATOM 179 NH1 ARG D 164 -52.666 -11.673 -7.189 1.00 5.93 N +ATOM 180 NH2 ARG D 164 -53.154 -9.780 -8.391 1.00 6.28 N +ATOM 181 N LEU D 165 -50.323 -3.379 -4.694 1.00 3.78 N +ATOM 182 CA LEU D 165 -49.496 -2.329 -4.089 1.00 3.68 C +ATOM 183 C LEU D 165 -48.546 -2.887 -3.037 1.00 3.84 C +ATOM 184 O LEU D 165 -48.914 -3.782 -2.269 1.00 3.88 O +ATOM 185 CB LEU D 165 -50.370 -1.242 -3.451 1.00 3.62 C +ATOM 186 CG LEU D 165 -50.902 -0.155 -4.387 1.00 3.56 C +ATOM 187 CD1 LEU D 165 -51.761 -0.748 -5.488 1.00 3.02 C +ATOM 188 CD2 LEU D 165 -51.679 0.887 -3.596 1.00 3.51 C +ATOM 189 N CYS D 166 -47.329 -2.338 -3.007 1.00 3.84 N +ATOM 190 CA CYS D 166 -46.331 -2.660 -1.985 1.00 3.83 C +ATOM 191 C CYS D 166 -46.828 -2.249 -0.598 1.00 3.81 C +ATOM 192 O CYS D 166 -47.009 -1.062 -0.324 1.00 3.72 O +ATOM 193 CB CYS D 166 -45.016 -1.942 -2.294 1.00 3.87 C +ATOM 194 SG CYS D 166 -43.752 -2.090 -1.008 1.00 4.18 S +ATOM 195 N LEU D 167 -47.026 -3.238 0.272 1.00 3.85 N +ATOM 196 CA LEU D 167 -47.716 -3.036 1.553 1.00 3.82 C +ATOM 197 C LEU D 167 -46.921 -2.234 2.594 1.00 3.84 C +ATOM 198 O LEU D 167 -47.510 -1.447 3.334 1.00 3.83 O +ATOM 199 CB LEU D 167 -48.150 -4.385 2.139 1.00 3.72 C +ATOM 200 CG LEU D 167 -49.069 -4.351 3.363 1.00 3.79 C +ATOM 201 CD1 LEU D 167 -50.415 -3.730 3.030 1.00 3.61 C +ATOM 202 CD2 LEU D 167 -49.256 -5.755 3.912 1.00 3.94 C +ATOM 203 N PRO D 168 -45.595 -2.437 2.675 1.00 3.87 N +ATOM 204 CA PRO D 168 -44.812 -1.596 3.591 1.00 3.97 C +ATOM 205 C PRO D 168 -44.953 -0.084 3.351 1.00 4.04 C +ATOM 206 O PRO D 168 -44.943 0.690 4.309 1.00 4.22 O +ATOM 207 CB PRO D 168 -43.378 -2.060 3.344 1.00 3.90 C +ATOM 208 CG PRO D 168 -43.521 -3.489 2.989 1.00 3.91 C +ATOM 209 CD PRO D 168 -44.817 -3.602 2.216 1.00 3.94 C +ATOM 210 N GLN D 169 -45.096 0.328 2.095 1.00 4.00 N +ATOM 211 CA GLN D 169 -45.303 1.744 1.775 1.00 4.01 C +ATOM 212 C GLN D 169 -46.700 2.222 2.191 1.00 4.03 C +ATOM 213 O GLN D 169 -46.890 3.389 2.536 1.00 4.13 O +ATOM 214 CB GLN D 169 -45.097 1.997 0.278 1.00 4.05 C +ATOM 215 CG GLN D 169 -43.647 1.914 -0.179 1.00 4.12 C +ATOM 216 CD GLN D 169 -43.489 2.181 -1.666 1.00 4.36 C +ATOM 217 OE1 GLN D 169 -44.361 1.839 -2.466 1.00 4.38 O +ATOM 218 NE2 GLN D 169 -42.367 2.789 -2.045 1.00 4.02 N +ATOM 219 N VAL D 170 -47.676 1.321 2.149 1.00 3.93 N +ATOM 220 CA VAL D 170 -49.041 1.657 2.534 1.00 3.92 C +ATOM 221 C VAL D 170 -49.136 1.830 4.048 1.00 3.99 C +ATOM 222 O VAL D 170 -49.670 2.827 4.533 1.00 4.11 O +ATOM 223 CB VAL D 170 -50.045 0.575 2.081 1.00 3.92 C +ATOM 224 CG1 VAL D 170 -51.463 0.966 2.473 1.00 3.50 C +ATOM 225 CG2 VAL D 170 -49.942 0.354 0.577 1.00 3.81 C +ATOM 226 N LEU D 171 -48.604 0.858 4.783 1.00 4.05 N +ATOM 227 CA LEU D 171 -48.668 0.856 6.243 1.00 4.06 C +ATOM 228 C LEU D 171 -47.782 1.931 6.881 1.00 4.18 C +ATOM 229 O LEU D 171 -48.220 2.634 7.794 1.00 4.44 O +ATOM 230 CB LEU D 171 -48.266 -0.517 6.789 1.00 4.10 C +ATOM 231 CG LEU D 171 -49.169 -1.703 6.445 1.00 3.97 C +ATOM 232 CD1 LEU D 171 -48.502 -3.008 6.845 1.00 3.91 C +ATOM 233 CD2 LEU D 171 -50.512 -1.565 7.129 1.00 4.47 C +ATOM 234 N ASN D 172 -46.547 2.059 6.400 1.00 4.12 N +ATOM 235 CA ASN D 172 -45.558 2.939 7.036 1.00 4.19 C +ATOM 236 C ASN D 172 -45.606 4.421 6.640 1.00 4.17 C +ATOM 237 O ASN D 172 -44.901 5.237 7.244 1.00 4.29 O +ATOM 238 CB ASN D 172 -44.137 2.404 6.798 1.00 4.18 C +ATOM 239 CG ASN D 172 -43.913 1.034 7.419 1.00 4.34 C +ATOM 240 OD1 ASN D 172 -44.558 0.667 8.403 1.00 4.56 O +ATOM 241 ND2 ASN D 172 -42.984 0.273 6.849 1.00 5.03 N +ATOM 242 N SER D 173 -46.409 4.777 5.638 1.00 4.03 N +ATOM 243 CA SER D 173 -46.522 6.182 5.225 1.00 3.95 C +ATOM 244 C SER D 173 -47.975 6.616 5.129 1.00 3.86 C +ATOM 245 O SER D 173 -48.413 7.472 5.897 1.00 3.85 O +ATOM 246 CB SER D 173 -45.804 6.432 3.897 1.00 3.93 C +ATOM 247 OG SER D 173 -46.607 6.049 2.795 1.00 4.40 O +ATOM 248 N VAL D 174 -48.718 6.019 4.197 1.00 3.74 N +ATOM 249 CA VAL D 174 -50.114 6.395 3.972 1.00 3.67 C +ATOM 250 C VAL D 174 -50.949 6.219 5.243 1.00 3.65 C +ATOM 251 O VAL D 174 -51.743 7.094 5.586 1.00 3.69 O +ATOM 252 CB VAL D 174 -50.766 5.599 2.803 1.00 3.68 C +ATOM 253 CG1 VAL D 174 -52.269 5.880 2.730 1.00 3.53 C +ATOM 254 CG2 VAL D 174 -50.108 5.950 1.478 1.00 3.48 C +ATOM 255 N LEU D 175 -50.755 5.102 5.940 1.00 3.58 N +ATOM 256 CA LEU D 175 -51.562 4.771 7.121 1.00 3.56 C +ATOM 257 C LEU D 175 -50.752 4.803 8.415 1.00 3.51 C +ATOM 258 O LEU D 175 -51.144 4.197 9.418 1.00 3.25 O +ATOM 259 CB LEU D 175 -52.220 3.399 6.938 1.00 3.61 C +ATOM 260 CG LEU D 175 -53.012 3.215 5.638 1.00 3.50 C +ATOM 261 CD1 LEU D 175 -53.672 1.842 5.594 1.00 3.24 C +ATOM 262 CD2 LEU D 175 -54.047 4.320 5.478 1.00 3.41 C +ATOM 263 N ARG D 176 -49.643 5.543 8.393 1.00 3.60 N +ATOM 264 CA ARG D 176 -48.733 5.637 9.538 1.00 3.61 C +ATOM 265 C ARG D 176 -49.408 6.142 10.819 1.00 3.64 C +ATOM 266 O ARG D 176 -48.984 5.797 11.921 1.00 3.61 O +ATOM 267 CB ARG D 176 -47.542 6.536 9.194 1.00 3.60 C +ATOM 268 CG ARG D 176 -46.469 6.639 10.285 1.00 3.59 C +ATOM 269 CD ARG D 176 -45.868 5.287 10.659 1.00 3.48 C +ATOM 270 NE ARG D 176 -44.886 5.409 11.737 1.00 3.36 N +ATOM 271 CZ ARG D 176 -45.185 5.523 13.031 1.00 3.14 C +ATOM 272 NH1 ARG D 176 -46.449 5.534 13.442 1.00 2.79 N +ATOM 273 NH2 ARG D 176 -44.209 5.628 13.925 1.00 3.17 N +ATOM 274 N GLU D 177 -50.456 6.947 10.676 1.00 3.66 N +ATOM 275 CA GLU D 177 -51.161 7.482 11.838 1.00 3.74 C +ATOM 276 C GLU D 177 -52.031 6.443 12.559 1.00 3.70 C +ATOM 277 O GLU D 177 -52.533 6.709 13.651 1.00 3.70 O +ATOM 278 CB GLU D 177 -51.995 8.706 11.442 1.00 3.81 C +ATOM 279 CG GLU D 177 -53.233 8.406 10.614 1.00 4.06 C +ATOM 280 CD GLU D 177 -53.861 9.663 10.042 1.00 4.61 C +ATOM 281 OE1 GLU D 177 -54.861 10.149 10.621 1.00 4.93 O +ATOM 282 OE2 GLU D 177 -53.348 10.174 9.020 1.00 4.60 O +ATOM 283 N PHE D 178 -52.198 5.266 11.956 1.00 3.70 N +ATOM 284 CA PHE D 178 -52.974 4.180 12.555 1.00 3.70 C +ATOM 285 C PHE D 178 -52.074 3.008 12.918 1.00 3.74 C +ATOM 286 O PHE D 178 -51.192 2.640 12.144 1.00 3.78 O +ATOM 287 CB PHE D 178 -54.050 3.705 11.580 1.00 3.72 C +ATOM 288 CG PHE D 178 -54.935 4.808 11.075 1.00 3.68 C +ATOM 289 CD1 PHE D 178 -55.995 5.272 11.847 1.00 3.49 C +ATOM 290 CD2 PHE D 178 -54.705 5.388 9.832 1.00 3.46 C +ATOM 291 CE1 PHE D 178 -56.820 6.298 11.386 1.00 3.67 C +ATOM 292 CE2 PHE D 178 -55.523 6.411 9.359 1.00 3.83 C +ATOM 293 CZ PHE D 178 -56.585 6.869 10.139 1.00 3.68 C +ATOM 294 N THR D 179 -52.314 2.414 14.086 1.00 3.73 N +ATOM 295 CA THR D 179 -51.498 1.294 14.568 1.00 3.72 C +ATOM 296 C THR D 179 -51.749 0.039 13.733 1.00 3.76 C +ATOM 297 O THR D 179 -52.792 -0.086 13.089 1.00 3.72 O +ATOM 298 CB THR D 179 -51.790 0.964 16.049 1.00 3.69 C +ATOM 299 OG1 THR D 179 -53.127 0.472 16.179 1.00 3.60 O +ATOM 300 CG2 THR D 179 -51.613 2.193 16.934 1.00 3.61 C +ATOM 301 N LEU D 180 -50.795 -0.890 13.756 1.00 3.74 N +ATOM 302 CA LEU D 180 -50.918 -2.137 12.993 1.00 3.77 C +ATOM 303 C LEU D 180 -52.129 -2.981 13.421 1.00 3.88 C +ATOM 304 O LEU D 180 -52.799 -3.578 12.578 1.00 3.99 O +ATOM 305 CB LEU D 180 -49.634 -2.961 13.097 1.00 3.71 C +ATOM 306 CG LEU D 180 -48.400 -2.348 12.425 1.00 3.67 C +ATOM 307 CD1 LEU D 180 -47.183 -3.255 12.596 1.00 3.14 C +ATOM 308 CD2 LEU D 180 -48.663 -2.077 10.948 1.00 3.42 C +ATOM 309 N GLN D 181 -52.409 -3.026 14.721 1.00 3.89 N +ATOM 310 CA GLN D 181 -53.595 -3.727 15.226 1.00 3.96 C +ATOM 311 C GLN D 181 -54.876 -3.075 14.701 1.00 3.94 C +ATOM 312 O GLN D 181 -55.840 -3.762 14.365 1.00 3.90 O +ATOM 313 CB GLN D 181 -53.606 -3.743 16.759 1.00 4.02 C +ATOM 314 CG GLN D 181 -54.790 -4.494 17.374 1.00 4.20 C +ATOM 315 CD GLN D 181 -54.812 -4.422 18.892 1.00 4.64 C +ATOM 316 OE1 GLN D 181 -53.765 -4.379 19.542 1.00 5.08 O +ATOM 317 NE2 GLN D 181 -56.012 -4.415 19.466 1.00 4.73 N +ATOM 318 N GLN D 182 -54.868 -1.747 14.637 1.00 3.95 N +ATOM 319 CA GLN D 182 -55.990 -0.966 14.111 1.00 3.92 C +ATOM 320 C GLN D 182 -56.197 -1.216 12.613 1.00 3.92 C +ATOM 321 O GLN D 182 -57.330 -1.285 12.140 1.00 4.01 O +ATOM 322 CB GLN D 182 -55.737 0.522 14.374 1.00 3.95 C +ATOM 323 CG GLN D 182 -56.946 1.432 14.244 1.00 4.19 C +ATOM 324 CD GLN D 182 -56.680 2.828 14.801 1.00 4.38 C +ATOM 325 OE1 GLN D 182 -55.529 3.200 15.067 1.00 4.00 O +ATOM 326 NE2 GLN D 182 -57.746 3.607 14.982 1.00 4.14 N +ATOM 327 N ILE D 183 -55.096 -1.361 11.878 1.00 4.01 N +ATOM 328 CA ILE D 183 -55.145 -1.669 10.446 1.00 3.99 C +ATOM 329 C ILE D 183 -55.659 -3.093 10.232 1.00 3.96 C +ATOM 330 O ILE D 183 -56.622 -3.312 9.495 1.00 3.96 O +ATOM 331 CB ILE D 183 -53.752 -1.551 9.791 1.00 4.09 C +ATOM 332 CG1 ILE D 183 -53.230 -0.113 9.859 1.00 4.28 C +ATOM 333 CG2 ILE D 183 -53.798 -2.028 8.340 1.00 4.32 C +ATOM 334 CD1 ILE D 183 -53.893 0.824 8.892 1.00 4.80 C +ATOM 335 N ASN D 184 -55.013 -4.051 10.892 1.00 3.92 N +ATOM 336 CA ASN D 184 -55.351 -5.470 10.743 1.00 3.96 C +ATOM 337 C ASN D 184 -56.787 -5.811 11.168 1.00 3.78 C +ATOM 338 O ASN D 184 -57.377 -6.754 10.642 1.00 3.74 O +ATOM 339 CB ASN D 184 -54.351 -6.350 11.513 1.00 3.98 C +ATOM 340 CG ASN D 184 -52.962 -6.367 10.876 1.00 4.66 C +ATOM 341 OD1 ASN D 184 -52.782 -5.978 9.717 1.00 5.45 O +ATOM 342 ND2 ASN D 184 -51.971 -6.830 11.637 1.00 5.36 N +ATOM 343 N THR D 185 -57.337 -5.048 12.113 1.00 3.67 N +ATOM 344 CA THR D 185 -58.728 -5.225 12.549 1.00 3.55 C +ATOM 345 C THR D 185 -59.698 -4.877 11.419 1.00 3.55 C +ATOM 346 O THR D 185 -60.606 -5.650 11.114 1.00 3.50 O +ATOM 347 CB THR D 185 -59.059 -4.363 13.792 1.00 3.53 C +ATOM 348 OG1 THR D 185 -58.231 -4.762 14.891 1.00 3.22 O +ATOM 349 CG2 THR D 185 -60.530 -4.517 14.194 1.00 3.42 C +ATOM 350 N VAL D 186 -59.488 -3.716 10.801 1.00 3.53 N +ATOM 351 CA VAL D 186 -60.302 -3.268 9.666 1.00 3.42 C +ATOM 352 C VAL D 186 -60.168 -4.214 8.467 1.00 3.47 C +ATOM 353 O VAL D 186 -61.149 -4.473 7.765 1.00 3.52 O +ATOM 354 CB VAL D 186 -59.936 -1.823 9.247 1.00 3.40 C +ATOM 355 CG1 VAL D 186 -60.592 -1.448 7.923 1.00 3.09 C +ATOM 356 CG2 VAL D 186 -60.337 -0.843 10.338 1.00 3.25 C +ATOM 357 N CYS D 187 -58.961 -4.731 8.241 1.00 3.47 N +ATOM 358 CA CYS D 187 -58.737 -5.735 7.196 1.00 3.46 C +ATOM 359 C CYS D 187 -59.576 -7.001 7.447 1.00 3.61 C +ATOM 360 O CYS D 187 -60.130 -7.578 6.511 1.00 3.65 O +ATOM 361 CB CYS D 187 -57.247 -6.088 7.088 1.00 3.49 C +ATOM 362 SG CYS D 187 -56.201 -4.770 6.391 1.00 2.87 S +ATOM 363 N ASP D 188 -59.681 -7.417 8.709 1.00 3.66 N +ATOM 364 CA ASP D 188 -60.515 -8.570 9.080 1.00 3.71 C +ATOM 365 C ASP D 188 -62.011 -8.275 8.937 1.00 3.67 C +ATOM 366 O ASP D 188 -62.777 -9.134 8.502 1.00 3.67 O +ATOM 367 CB ASP D 188 -60.205 -9.033 10.511 1.00 3.72 C +ATOM 368 CG ASP D 188 -58.917 -9.842 10.604 1.00 3.91 C +ATOM 369 OD1 ASP D 188 -58.712 -10.513 11.639 1.00 4.01 O +ATOM 370 OD2 ASP D 188 -58.111 -9.817 9.647 1.00 3.96 O +ATOM 371 N GLU D 189 -62.415 -7.062 9.309 1.00 3.67 N +ATOM 372 CA AGLU D 189 -63.810 -6.636 9.199 0.50 3.67 C +ATOM 373 CA BGLU D 189 -63.811 -6.634 9.195 0.50 3.65 C +ATOM 374 C GLU D 189 -64.239 -6.535 7.732 1.00 3.69 C +ATOM 375 O GLU D 189 -65.340 -6.943 7.373 1.00 3.65 O +ATOM 376 CB AGLU D 189 -64.012 -5.289 9.903 0.50 3.68 C +ATOM 377 CB BGLU D 189 -64.022 -5.283 9.887 0.50 3.63 C +ATOM 378 CG AGLU D 189 -65.455 -4.980 10.270 0.50 3.68 C +ATOM 379 CG BGLU D 189 -63.930 -5.337 11.403 0.50 3.54 C +ATOM 380 CD AGLU D 189 -65.969 -5.845 11.409 0.50 3.74 C +ATOM 381 CD BGLU D 189 -63.940 -3.960 12.037 0.50 3.36 C +ATOM 382 OE1AGLU D 189 -65.186 -6.659 11.943 0.50 3.76 O +ATOM 383 OE1BGLU D 189 -64.058 -2.962 11.294 0.50 3.15 O +ATOM 384 OE2AGLU D 189 -67.157 -5.707 11.770 0.50 3.56 O +ATOM 385 OE2BGLU D 189 -63.831 -3.874 13.279 0.50 3.13 O +ATOM 386 N LEU D 190 -63.356 -5.993 6.893 1.00 3.80 N +ATOM 387 CA LEU D 190 -63.617 -5.830 5.455 1.00 3.85 C +ATOM 388 C LEU D 190 -63.216 -7.052 4.608 1.00 3.85 C +ATOM 389 O LEU D 190 -63.287 -7.004 3.377 1.00 3.80 O +ATOM 390 CB LEU D 190 -62.876 -4.590 4.929 1.00 3.96 C +ATOM 391 CG LEU D 190 -63.285 -3.227 5.498 1.00 4.03 C +ATOM 392 CD1 LEU D 190 -62.372 -2.138 4.948 1.00 4.01 C +ATOM 393 CD2 LEU D 190 -64.737 -2.915 5.185 1.00 4.03 C +ATOM 394 N TYR D 191 -62.788 -8.131 5.263 1.00 3.85 N +ATOM 395 CA TYR D 191 -62.356 -9.361 4.583 1.00 3.83 C +ATOM 396 C TYR D 191 -61.180 -9.141 3.619 1.00 3.86 C +ATOM 397 O TYR D 191 -61.097 -9.783 2.572 1.00 3.88 O +ATOM 398 CB TYR D 191 -63.534 -10.025 3.855 1.00 3.87 C +ATOM 399 CG TYR D 191 -64.698 -10.358 4.760 1.00 3.82 C +ATOM 400 CD1 TYR D 191 -64.684 -11.507 5.546 1.00 3.87 C +ATOM 401 CD2 TYR D 191 -65.814 -9.527 4.831 1.00 3.92 C +ATOM 402 CE1 TYR D 191 -65.752 -11.821 6.379 1.00 4.01 C +ATOM 403 CE2 TYR D 191 -66.887 -9.833 5.662 1.00 3.77 C +ATOM 404 CZ TYR D 191 -66.847 -10.981 6.433 1.00 3.87 C +ATOM 405 OH TYR D 191 -67.902 -11.294 7.258 1.00 4.47 O +ATOM 406 N ILE D 192 -60.271 -8.240 3.986 1.00 3.88 N +ATOM 407 CA ILE D 192 -59.064 -7.991 3.201 1.00 3.91 C +ATOM 408 C ILE D 192 -57.979 -8.988 3.599 1.00 3.95 C +ATOM 409 O ILE D 192 -57.572 -9.035 4.761 1.00 3.90 O +ATOM 410 CB ILE D 192 -58.519 -6.561 3.413 1.00 3.95 C +ATOM 411 CG1 ILE D 192 -59.581 -5.517 3.059 1.00 3.96 C +ATOM 412 CG2 ILE D 192 -57.261 -6.334 2.572 1.00 3.64 C +ATOM 413 CD1 ILE D 192 -59.100 -4.081 3.219 1.00 4.04 C +ATOM 414 N TYR D 193 -57.525 -9.783 2.630 1.00 3.98 N +ATOM 415 CA TYR D 193 -56.435 -10.737 2.839 1.00 4.06 C +ATOM 416 C TYR D 193 -55.268 -10.402 1.907 1.00 4.11 C +ATOM 417 O TYR D 193 -55.329 -10.641 0.698 1.00 4.12 O +ATOM 418 CB TYR D 193 -56.919 -12.172 2.610 1.00 4.09 C +ATOM 419 CG TYR D 193 -58.082 -12.573 3.503 1.00 4.36 C +ATOM 420 CD1 TYR D 193 -57.930 -12.650 4.888 1.00 4.48 C +ATOM 421 CD2 TYR D 193 -59.330 -12.881 2.962 1.00 4.29 C +ATOM 422 CE1 TYR D 193 -58.993 -13.017 5.711 1.00 4.41 C +ATOM 423 CE2 TYR D 193 -60.394 -13.250 3.774 1.00 4.43 C +ATOM 424 CZ TYR D 193 -60.221 -13.315 5.147 1.00 4.52 C +ATOM 425 OH TYR D 193 -61.278 -13.679 5.950 1.00 4.82 O +ATOM 426 N CYS D 194 -54.211 -9.833 2.480 1.00 4.16 N +ATOM 427 CA CYS D 194 -53.036 -9.423 1.711 1.00 4.28 C +ATOM 428 C CYS D 194 -52.214 -10.629 1.278 1.00 4.06 C +ATOM 429 O CYS D 194 -52.014 -11.563 2.054 1.00 4.05 O +ATOM 430 CB CYS D 194 -52.172 -8.470 2.537 1.00 4.27 C +ATOM 431 SG CYS D 194 -53.086 -7.018 3.121 1.00 5.48 S +ATOM 432 N SER D 195 -51.747 -10.600 0.034 1.00 3.97 N +ATOM 433 CA SER D 195 -50.925 -11.680 -0.512 1.00 3.94 C +ATOM 434 C SER D 195 -49.442 -11.428 -0.237 1.00 3.86 C +ATOM 435 O SER D 195 -49.065 -10.406 0.342 1.00 3.76 O +ATOM 436 CB SER D 195 -51.166 -11.839 -2.019 1.00 3.95 C +ATOM 437 OG SER D 195 -50.501 -10.834 -2.767 1.00 3.97 O +ATOM 438 N ARG D 196 -48.614 -12.373 -0.664 0.70 3.80 N +ATOM 439 CA ARG D 196 -47.178 -12.309 -0.451 0.70 3.77 C +ATOM 440 C ARG D 196 -46.474 -12.156 -1.795 0.70 3.72 C +ATOM 441 O ARG D 196 -46.862 -12.791 -2.776 0.70 3.65 O +ATOM 442 CB ARG D 196 -46.715 -13.585 0.251 0.70 3.77 C +ATOM 443 CG ARG D 196 -45.333 -13.498 0.877 0.70 4.06 C +ATOM 444 CD ARG D 196 -44.988 -14.773 1.647 0.70 4.20 C +ATOM 445 NE ARG D 196 -45.842 -14.963 2.822 0.70 4.24 N +ATOM 446 CZ ARG D 196 -45.767 -15.996 3.662 0.70 4.11 C +ATOM 447 NH1 ARG D 196 -44.872 -16.963 3.474 0.70 3.95 N +ATOM 448 NH2 ARG D 196 -46.597 -16.063 4.699 0.70 3.95 N +ATOM 449 N CYS D 197 -45.455 -11.300 -1.837 1.00 3.69 N +ATOM 450 CA CYS D 197 -44.580 -11.185 -3.009 1.00 3.78 C +ATOM 451 C CYS D 197 -43.925 -12.524 -3.316 1.00 3.62 C +ATOM 452 O CYS D 197 -43.619 -13.289 -2.404 1.00 3.70 O +ATOM 453 CB CYS D 197 -43.465 -10.152 -2.773 1.00 3.80 C +ATOM 454 SG CYS D 197 -43.873 -8.447 -3.205 1.00 4.26 S +ATOM 455 N THR D 198 -43.703 -12.800 -4.596 1.00 3.52 N +ATOM 456 CA THR D 198 -42.903 -13.957 -4.996 1.00 3.53 C +ATOM 457 C THR D 198 -41.420 -13.622 -4.843 1.00 3.52 C +ATOM 458 O THR D 198 -41.052 -12.465 -4.613 1.00 3.45 O +ATOM 459 CB THR D 198 -43.172 -14.373 -6.458 1.00 3.52 C +ATOM 460 OG1 THR D 198 -42.768 -13.322 -7.344 1.00 3.49 O +ATOM 461 CG2 THR D 198 -44.647 -14.682 -6.671 1.00 3.40 C +ATOM 462 N SER D 199 -40.573 -14.638 -4.980 1.00 3.53 N +ATOM 463 CA SER D 199 -39.122 -14.451 -4.933 1.00 3.55 C +ATOM 464 C SER D 199 -38.676 -13.357 -5.907 1.00 3.54 C +ATOM 465 O SER D 199 -37.918 -12.459 -5.541 1.00 3.55 O +ATOM 466 CB SER D 199 -38.407 -15.764 -5.260 1.00 3.55 C +ATOM 467 OG SER D 199 -36.999 -15.622 -5.159 1.00 3.69 O +ATOM 468 N ASP D 200 -39.174 -13.435 -7.139 1.00 3.55 N +ATOM 469 CA ASP D 200 -38.836 -12.472 -8.192 1.00 3.60 C +ATOM 470 C ASP D 200 -39.326 -11.058 -7.891 1.00 3.53 C +ATOM 471 O ASP D 200 -38.644 -10.081 -8.197 1.00 3.44 O +ATOM 472 CB ASP D 200 -39.411 -12.935 -9.534 1.00 3.66 C +ATOM 473 CG ASP D 200 -38.737 -14.191 -10.054 1.00 4.02 C +ATOM 474 OD1 ASP D 200 -38.437 -15.091 -9.239 1.00 4.62 O +ATOM 475 OD2 ASP D 200 -38.504 -14.280 -11.280 1.00 4.57 O +ATOM 476 N GLN D 201 -40.509 -10.955 -7.296 1.00 3.53 N +ATOM 477 CA GLN D 201 -41.094 -9.655 -6.970 1.00 3.58 C +ATOM 478 C GLN D 201 -40.386 -8.981 -5.796 1.00 3.55 C +ATOM 479 O GLN D 201 -40.176 -7.770 -5.808 1.00 3.54 O +ATOM 480 CB GLN D 201 -42.585 -9.802 -6.676 1.00 3.66 C +ATOM 481 CG GLN D 201 -43.410 -10.146 -7.903 1.00 3.54 C +ATOM 482 CD GLN D 201 -44.867 -10.405 -7.577 1.00 3.66 C +ATOM 483 OE1 GLN D 201 -45.202 -10.842 -6.476 1.00 4.15 O +ATOM 484 NE2 GLN D 201 -45.743 -10.139 -8.538 1.00 3.42 N +ATOM 485 N LEU D 202 -40.020 -9.766 -4.787 1.00 3.56 N +ATOM 486 CA LEU D 202 -39.265 -9.248 -3.646 1.00 3.54 C +ATOM 487 C LEU D 202 -37.924 -8.679 -4.085 1.00 3.58 C +ATOM 488 O LEU D 202 -37.513 -7.620 -3.614 1.00 3.48 O +ATOM 489 CB LEU D 202 -39.030 -10.350 -2.609 1.00 3.68 C +ATOM 490 CG LEU D 202 -38.077 -10.039 -1.445 1.00 3.70 C +ATOM 491 CD1 LEU D 202 -38.629 -8.926 -0.569 1.00 3.86 C +ATOM 492 CD2 LEU D 202 -37.838 -11.288 -0.625 1.00 3.85 C +ATOM 493 N HIS D 203 -37.249 -9.394 -4.983 1.00 3.62 N +ATOM 494 CA HIS D 203 -35.888 -9.045 -5.395 1.00 3.64 C +ATOM 495 C HIS D 203 -35.839 -7.825 -6.317 1.00 3.70 C +ATOM 496 O HIS D 203 -34.903 -7.023 -6.239 1.00 3.96 O +ATOM 497 CB HIS D 203 -35.217 -10.238 -6.082 1.00 3.57 C +ATOM 498 CG HIS D 203 -33.818 -9.961 -6.541 1.00 3.79 C +ATOM 499 ND1 HIS D 203 -32.713 -10.180 -5.744 1.00 3.71 N +ATOM 500 CD2 HIS D 203 -33.345 -9.478 -7.714 1.00 3.95 C +ATOM 501 CE1 HIS D 203 -31.621 -9.846 -6.408 1.00 3.49 C +ATOM 502 NE2 HIS D 203 -31.976 -9.417 -7.605 1.00 3.72 N +ATOM 503 N ILE D 204 -36.820 -7.701 -7.206 1.00 3.58 N +ATOM 504 CA ILE D 204 -36.865 -6.572 -8.139 1.00 3.53 C +ATOM 505 C ILE D 204 -37.128 -5.278 -7.366 1.00 3.44 C +ATOM 506 O ILE D 204 -36.571 -4.230 -7.693 1.00 3.35 O +ATOM 507 CB ILE D 204 -37.918 -6.789 -9.276 1.00 3.62 C +ATOM 508 CG1 ILE D 204 -37.797 -5.711 -10.358 1.00 3.67 C +ATOM 509 CG2 ILE D 204 -39.340 -6.817 -8.722 1.00 3.59 C +ATOM 510 CD1 ILE D 204 -36.457 -5.699 -11.072 1.00 3.99 C +ATOM 511 N LEU D 205 -37.963 -5.371 -6.332 1.00 3.39 N +ATOM 512 CA LEU D 205 -38.239 -4.244 -5.440 1.00 3.33 C +ATOM 513 C LEU D 205 -36.978 -3.761 -4.729 1.00 3.38 C +ATOM 514 O LEU D 205 -36.826 -2.563 -4.473 1.00 3.41 O +ATOM 515 CB LEU D 205 -39.307 -4.622 -4.404 1.00 3.30 C +ATOM 516 CG LEU D 205 -40.755 -4.572 -4.901 1.00 3.14 C +ATOM 517 CD1 LEU D 205 -41.688 -5.324 -3.962 1.00 3.13 C +ATOM 518 CD2 LEU D 205 -41.209 -3.134 -5.073 1.00 2.60 C +ATOM 519 N LYS D 206 -36.086 -4.698 -4.406 1.00 3.28 N +ATOM 520 CA LYS D 206 -34.802 -4.367 -3.801 1.00 3.22 C +ATOM 521 C LYS D 206 -33.887 -3.705 -4.826 1.00 3.25 C +ATOM 522 O LYS D 206 -33.325 -2.640 -4.569 1.00 3.16 O +ATOM 523 CB LYS D 206 -34.127 -5.622 -3.236 1.00 3.24 C +ATOM 524 CG LYS D 206 -34.811 -6.207 -2.014 1.00 3.07 C +ATOM 525 CD LYS D 206 -34.283 -7.598 -1.693 1.00 2.82 C +ATOM 526 CE LYS D 206 -34.774 -8.078 -0.339 1.00 2.80 C +ATOM 527 NZ LYS D 206 -34.137 -9.357 0.076 1.00 2.45 N +ATOM 528 N VAL D 207 -33.751 -4.340 -5.989 1.00 3.33 N +ATOM 529 CA VAL D 207 -32.880 -3.838 -7.059 1.00 3.36 C +ATOM 530 C VAL D 207 -33.280 -2.436 -7.514 1.00 3.37 C +ATOM 531 O VAL D 207 -32.420 -1.598 -7.759 1.00 3.33 O +ATOM 532 CB VAL D 207 -32.877 -4.779 -8.287 1.00 3.35 C +ATOM 533 CG1 VAL D 207 -32.069 -4.176 -9.422 1.00 3.32 C +ATOM 534 CG2 VAL D 207 -32.323 -6.141 -7.917 1.00 3.39 C +ATOM 535 N LEU D 208 -34.584 -2.182 -7.618 1.00 3.48 N +ATOM 536 CA LEU D 208 -35.074 -0.862 -8.033 1.00 3.50 C +ATOM 537 C LEU D 208 -35.167 0.149 -6.874 1.00 3.54 C +ATOM 538 O LEU D 208 -35.651 1.269 -7.055 1.00 3.60 O +ATOM 539 CB LEU D 208 -36.408 -0.995 -8.775 1.00 3.46 C +ATOM 540 CG LEU D 208 -36.351 -1.879 -10.030 1.00 3.41 C +ATOM 541 CD1 LEU D 208 -37.659 -1.808 -10.792 1.00 3.13 C +ATOM 542 CD2 LEU D 208 -35.188 -1.506 -10.948 1.00 3.37 C +ATOM 543 N GLY D 209 -34.694 -0.248 -5.695 1.00 3.56 N +ATOM 544 CA GLY D 209 -34.425 0.688 -4.605 1.00 3.52 C +ATOM 545 C GLY D 209 -35.571 0.983 -3.659 1.00 3.52 C +ATOM 546 O GLY D 209 -35.450 1.868 -2.816 1.00 3.30 O +ATOM 547 N ILE D 210 -36.673 0.244 -3.783 1.00 3.63 N +ATOM 548 CA ILE D 210 -37.873 0.488 -2.969 1.00 3.72 C +ATOM 549 C ILE D 210 -37.786 -0.168 -1.591 1.00 3.79 C +ATOM 550 O ILE D 210 -38.151 0.447 -0.585 1.00 3.89 O +ATOM 551 CB ILE D 210 -39.149 -0.011 -3.665 1.00 3.70 C +ATOM 552 CG1 ILE D 210 -39.321 0.673 -5.024 1.00 3.88 C +ATOM 553 CG2 ILE D 210 -40.368 0.253 -2.788 1.00 3.75 C +ATOM 554 CD1 ILE D 210 -39.447 2.184 -4.941 1.00 4.08 C +ATOM 555 N LEU D 211 -37.321 -1.415 -1.555 1.00 3.80 N +ATOM 556 CA LEU D 211 -37.117 -2.138 -0.298 1.00 3.73 C +ATOM 557 C LEU D 211 -35.633 -2.306 0.005 1.00 3.64 C +ATOM 558 O LEU D 211 -34.815 -2.350 -0.910 1.00 3.67 O +ATOM 559 CB LEU D 211 -37.768 -3.521 -0.358 1.00 3.73 C +ATOM 560 CG LEU D 211 -39.296 -3.595 -0.362 1.00 3.66 C +ATOM 561 CD1 LEU D 211 -39.729 -5.053 -0.330 1.00 3.29 C +ATOM 562 CD2 LEU D 211 -39.897 -2.832 0.806 1.00 3.26 C +ATOM 563 N PRO D 212 -35.282 -2.411 1.298 1.00 3.67 N +ATOM 564 CA PRO D 212 -33.911 -2.728 1.689 1.00 3.59 C +ATOM 565 C PRO D 212 -33.587 -4.184 1.397 1.00 3.61 C +ATOM 566 O PRO D 212 -34.469 -5.036 1.486 1.00 3.61 O +ATOM 567 CB PRO D 212 -33.907 -2.470 3.196 1.00 3.60 C +ATOM 568 CG PRO D 212 -35.301 -2.638 3.624 1.00 3.56 C +ATOM 569 CD PRO D 212 -36.161 -2.235 2.468 1.00 3.68 C +ATOM 570 N PHE D 213 -32.328 -4.463 1.070 1.00 3.71 N +ATOM 571 CA PHE D 213 -31.919 -5.800 0.617 1.00 3.71 C +ATOM 572 C PHE D 213 -32.043 -6.920 1.660 1.00 3.82 C +ATOM 573 O PHE D 213 -32.024 -8.094 1.289 1.00 4.06 O +ATOM 574 CB PHE D 213 -30.498 -5.770 0.037 1.00 3.67 C +ATOM 575 CG PHE D 213 -30.453 -5.505 -1.444 1.00 3.50 C +ATOM 576 CD1 PHE D 213 -30.693 -4.233 -1.944 1.00 3.35 C +ATOM 577 CD2 PHE D 213 -30.174 -6.529 -2.339 1.00 3.52 C +ATOM 578 CE1 PHE D 213 -30.653 -3.984 -3.309 1.00 3.27 C +ATOM 579 CE2 PHE D 213 -30.133 -6.290 -3.709 1.00 3.45 C +ATOM 580 CZ PHE D 213 -30.373 -5.014 -4.193 1.00 3.36 C +ATOM 581 N ASN D 214 -32.174 -6.576 2.941 1.00 3.81 N +ATOM 582 CA ASN D 214 -32.374 -7.590 3.987 1.00 3.81 C +ATOM 583 C ASN D 214 -33.821 -8.068 4.098 1.00 3.90 C +ATOM 584 O ASN D 214 -34.084 -9.095 4.725 1.00 3.99 O +ATOM 585 CB ASN D 214 -31.908 -7.073 5.353 1.00 3.76 C +ATOM 586 CG ASN D 214 -30.402 -6.900 5.431 1.00 3.60 C +ATOM 587 OD1 ASN D 214 -29.669 -7.301 4.528 1.00 3.76 O +ATOM 588 ND2 ASN D 214 -29.935 -6.300 6.516 1.00 3.07 N +ATOM 589 N ALA D 215 -34.747 -7.324 3.494 1.00 3.89 N +ATOM 590 CA ALA D 215 -36.177 -7.638 3.551 1.00 3.87 C +ATOM 591 C ALA D 215 -36.446 -9.096 3.184 1.00 3.88 C +ATOM 592 O ALA D 215 -36.202 -9.498 2.047 1.00 3.91 O +ATOM 593 CB ALA D 215 -36.956 -6.718 2.622 1.00 3.83 C +ATOM 594 N PRO D 216 -36.947 -9.894 4.146 1.00 3.92 N +ATOM 595 CA PRO D 216 -37.190 -11.317 3.893 1.00 3.90 C +ATOM 596 C PRO D 216 -38.441 -11.575 3.054 1.00 3.77 C +ATOM 597 O PRO D 216 -38.444 -12.476 2.213 1.00 3.59 O +ATOM 598 CB PRO D 216 -37.354 -11.896 5.301 1.00 3.91 C +ATOM 599 CG PRO D 216 -37.894 -10.770 6.106 1.00 3.93 C +ATOM 600 CD PRO D 216 -37.310 -9.512 5.525 1.00 3.91 C +ATOM 601 N SER D 217 -39.485 -10.789 3.293 1.00 3.77 N +ATOM 602 CA SER D 217 -40.738 -10.899 2.551 1.00 3.75 C +ATOM 603 C SER D 217 -41.351 -9.521 2.360 1.00 3.78 C +ATOM 604 O SER D 217 -40.877 -8.537 2.929 1.00 3.72 O +ATOM 605 CB SER D 217 -41.719 -11.792 3.301 1.00 3.75 C +ATOM 606 OG SER D 217 -42.136 -11.177 4.510 1.00 3.70 O +ATOM 607 N CYS D 218 -42.409 -9.457 1.559 1.00 3.88 N +ATOM 608 CA CYS D 218 -43.116 -8.202 1.325 1.00 3.94 C +ATOM 609 C CYS D 218 -44.583 -8.446 1.000 1.00 3.93 C +ATOM 610 O CYS D 218 -44.909 -9.241 0.117 1.00 4.02 O +ATOM 611 CB CYS D 218 -42.456 -7.424 0.190 1.00 3.92 C +ATOM 612 SG CYS D 218 -43.162 -5.786 -0.067 1.00 4.42 S +ATOM 613 N GLY D 219 -45.461 -7.757 1.722 1.00 3.90 N +ATOM 614 CA GLY D 219 -46.898 -7.896 1.535 1.00 3.83 C +ATOM 615 C GLY D 219 -47.389 -7.149 0.311 1.00 3.82 C +ATOM 616 O GLY D 219 -46.730 -6.222 -0.167 1.00 3.88 O +ATOM 617 N LEU D 220 -48.551 -7.561 -0.191 1.00 3.72 N +ATOM 618 CA LEU D 220 -49.183 -6.924 -1.343 1.00 3.60 C +ATOM 619 C LEU D 220 -50.676 -6.788 -1.095 1.00 3.57 C +ATOM 620 O LEU D 220 -51.320 -7.735 -0.650 1.00 3.60 O +ATOM 621 CB LEU D 220 -48.949 -7.740 -2.619 1.00 3.53 C +ATOM 622 CG LEU D 220 -47.564 -7.671 -3.268 1.00 3.39 C +ATOM 623 CD1 LEU D 220 -47.499 -8.631 -4.443 1.00 3.21 C +ATOM 624 CD2 LEU D 220 -47.224 -6.255 -3.714 1.00 3.05 C +ATOM 625 N ILE D 221 -51.211 -5.606 -1.389 1.00 3.55 N +ATOM 626 CA ILE D 221 -52.640 -5.318 -1.241 1.00 3.54 C +ATOM 627 C ILE D 221 -53.176 -4.735 -2.552 1.00 3.52 C +ATOM 628 O ILE D 221 -52.503 -3.937 -3.204 1.00 3.52 O +ATOM 629 CB ILE D 221 -52.896 -4.336 -0.066 1.00 3.52 C +ATOM 630 CG1 ILE D 221 -54.395 -4.195 0.214 1.00 3.59 C +ATOM 631 CG2 ILE D 221 -52.283 -2.970 -0.346 1.00 3.49 C +ATOM 632 CD1 ILE D 221 -54.716 -3.339 1.432 1.00 3.41 C +ATOM 633 N THR D 222 -54.380 -5.140 -2.942 1.00 3.46 N +ATOM 634 CA THR D 222 -54.972 -4.652 -4.189 1.00 3.49 C +ATOM 635 C THR D 222 -55.365 -3.181 -4.051 1.00 3.50 C +ATOM 636 O THR D 222 -55.717 -2.727 -2.959 1.00 3.51 O +ATOM 637 CB THR D 222 -56.206 -5.480 -4.615 1.00 3.54 C +ATOM 638 OG1 THR D 222 -57.262 -5.312 -3.661 1.00 3.52 O +ATOM 639 CG2 THR D 222 -55.849 -6.960 -4.734 1.00 3.37 C +ATOM 640 N LEU D 223 -55.289 -2.441 -5.155 1.00 3.50 N +ATOM 641 CA LEU D 223 -55.645 -1.019 -5.160 1.00 3.56 C +ATOM 642 C LEU D 223 -57.067 -0.808 -4.647 1.00 3.53 C +ATOM 643 O LEU D 223 -57.320 0.130 -3.895 1.00 3.63 O +ATOM 644 CB LEU D 223 -55.501 -0.413 -6.564 1.00 3.55 C +ATOM 645 CG LEU D 223 -55.973 1.040 -6.741 1.00 3.49 C +ATOM 646 CD1 LEU D 223 -55.269 1.970 -5.755 1.00 3.11 C +ATOM 647 CD2 LEU D 223 -55.768 1.516 -8.176 1.00 2.80 C +ATOM 648 N THR D 224 -57.984 -1.683 -5.053 1.00 3.48 N +ATOM 649 CA THR D 224 -59.373 -1.620 -4.585 1.00 3.51 C +ATOM 650 C THR D 224 -59.452 -1.788 -3.067 1.00 3.57 C +ATOM 651 O THR D 224 -60.103 -0.994 -2.383 1.00 3.63 O +ATOM 652 CB THR D 224 -60.263 -2.693 -5.266 1.00 3.43 C +ATOM 653 OG1 THR D 224 -60.267 -2.489 -6.684 1.00 3.34 O +ATOM 654 CG2 THR D 224 -61.696 -2.622 -4.747 1.00 3.45 C +ATOM 655 N ASP D 225 -58.790 -2.819 -2.546 1.00 3.62 N +ATOM 656 CA ASP D 225 -58.790 -3.077 -1.106 1.00 3.64 C +ATOM 657 C ASP D 225 -58.036 -1.975 -0.364 1.00 3.65 C +ATOM 658 O ASP D 225 -58.488 -1.514 0.688 1.00 3.63 O +ATOM 659 CB ASP D 225 -58.201 -4.458 -0.789 1.00 3.75 C +ATOM 660 CG ASP D 225 -59.096 -5.605 -1.260 1.00 3.77 C +ATOM 661 OD1 ASP D 225 -60.099 -5.339 -1.953 1.00 4.74 O +ATOM 662 OD2 ASP D 225 -58.795 -6.776 -0.945 1.00 3.48 O +ATOM 663 N ALA D 226 -56.903 -1.547 -0.923 1.00 3.61 N +ATOM 664 CA ALA D 226 -56.155 -0.405 -0.388 1.00 3.55 C +ATOM 665 C ALA D 226 -57.067 0.809 -0.201 1.00 3.57 C +ATOM 666 O ALA D 226 -57.080 1.435 0.861 1.00 3.49 O +ATOM 667 CB ALA D 226 -55.008 -0.048 -1.305 1.00 3.50 C +ATOM 668 N GLN D 227 -57.833 1.124 -1.240 1.00 3.54 N +ATOM 669 CA GLN D 227 -58.740 2.270 -1.208 1.00 3.59 C +ATOM 670 C GLN D 227 -59.861 2.077 -0.179 1.00 3.55 C +ATOM 671 O GLN D 227 -60.190 3.011 0.548 1.00 3.44 O +ATOM 672 CB GLN D 227 -59.289 2.571 -2.613 1.00 3.51 C +ATOM 673 CG GLN D 227 -58.289 3.362 -3.472 1.00 3.59 C +ATOM 674 CD GLN D 227 -58.577 3.337 -4.971 1.00 3.62 C +ATOM 675 OE1 GLN D 227 -59.449 2.608 -5.448 1.00 4.06 O +ATOM 676 NE2 GLN D 227 -57.827 4.135 -5.720 1.00 3.10 N +ATOM 677 N ARG D 228 -60.417 0.868 -0.101 1.00 3.64 N +ATOM 678 CA ARG D 228 -61.426 0.537 0.918 1.00 3.69 C +ATOM 679 C ARG D 228 -60.865 0.705 2.320 1.00 3.69 C +ATOM 680 O ARG D 228 -61.507 1.302 3.182 1.00 3.63 O +ATOM 681 CB ARG D 228 -61.918 -0.902 0.763 1.00 3.72 C +ATOM 682 CG ARG D 228 -62.825 -1.137 -0.428 1.00 3.93 C +ATOM 683 CD ARG D 228 -62.901 -2.619 -0.756 1.00 4.04 C +ATOM 684 NE ARG D 228 -63.551 -3.388 0.307 1.00 4.02 N +ATOM 685 CZ ARG D 228 -63.316 -4.674 0.571 1.00 4.21 C +ATOM 686 NH1 ARG D 228 -62.422 -5.375 -0.134 1.00 4.23 N +ATOM 687 NH2 ARG D 228 -63.970 -5.266 1.561 1.00 3.91 N +ATOM 688 N LEU D 229 -59.668 0.160 2.539 1.00 3.73 N +ATOM 689 CA LEU D 229 -58.982 0.268 3.826 1.00 3.72 C +ATOM 690 C LEU D 229 -58.827 1.731 4.236 1.00 3.78 C +ATOM 691 O LEU D 229 -59.188 2.107 5.352 1.00 3.81 O +ATOM 692 CB LEU D 229 -57.611 -0.415 3.760 1.00 3.74 C +ATOM 693 CG LEU D 229 -56.746 -0.389 5.025 1.00 3.62 C +ATOM 694 CD1 LEU D 229 -57.520 -0.901 6.231 1.00 3.25 C +ATOM 695 CD2 LEU D 229 -55.479 -1.202 4.806 1.00 2.88 C +ATOM 696 N CYS D 230 -58.306 2.549 3.323 1.00 3.83 N +ATOM 697 CA CYS D 230 -58.158 3.989 3.557 1.00 3.93 C +ATOM 698 C CYS D 230 -59.504 4.646 3.859 1.00 3.85 C +ATOM 699 O CYS D 230 -59.616 5.440 4.794 1.00 3.85 O +ATOM 700 CB CYS D 230 -57.516 4.673 2.350 1.00 3.97 C +ATOM 701 SG CYS D 230 -55.833 4.126 1.985 1.00 4.75 S +ATOM 702 N ASN D 231 -60.518 4.305 3.066 1.00 3.76 N +ATOM 703 CA ASN D 231 -61.882 4.795 3.292 1.00 3.68 C +ATOM 704 C ASN D 231 -62.345 4.526 4.727 1.00 3.69 C +ATOM 705 O ASN D 231 -62.937 5.392 5.367 1.00 3.67 O +ATOM 706 CB ASN D 231 -62.873 4.156 2.304 1.00 3.62 C +ATOM 707 CG ASN D 231 -62.658 4.607 0.855 1.00 3.33 C +ATOM 708 OD1 ASN D 231 -61.904 5.541 0.575 1.00 2.11 O +ATOM 709 ND2 ASN D 231 -63.336 3.935 -0.072 1.00 3.31 N +ATOM 710 N ALA D 232 -62.047 3.329 5.228 1.00 3.71 N +ATOM 711 CA ALA D 232 -62.459 2.915 6.573 1.00 3.68 C +ATOM 712 C ALA D 232 -61.706 3.647 7.687 1.00 3.71 C +ATOM 713 O ALA D 232 -62.295 3.984 8.716 1.00 3.71 O +ATOM 714 CB ALA D 232 -62.295 1.407 6.733 1.00 3.62 C +ATOM 715 N LEU D 233 -60.413 3.891 7.479 1.00 3.74 N +ATOM 716 CA LEU D 233 -59.562 4.502 8.505 1.00 3.73 C +ATOM 717 C LEU D 233 -59.566 6.028 8.442 1.00 3.74 C +ATOM 718 O LEU D 233 -59.723 6.693 9.467 1.00 3.77 O +ATOM 719 CB LEU D 233 -58.129 3.984 8.384 1.00 3.77 C +ATOM 720 CG LEU D 233 -57.930 2.505 8.726 1.00 3.80 C +ATOM 721 CD1 LEU D 233 -56.604 2.010 8.192 1.00 3.40 C +ATOM 722 CD2 LEU D 233 -58.026 2.281 10.230 1.00 4.07 C +ATOM 723 N LEU D 234 -59.390 6.576 7.242 1.00 3.74 N +ATOM 724 CA LEU D 234 -59.293 8.030 7.059 1.00 3.74 C +ATOM 725 C LEU D 234 -60.643 8.757 7.058 1.00 3.82 C +ATOM 726 O LEU D 234 -60.718 9.903 7.499 1.00 3.93 O +ATOM 727 CB LEU D 234 -58.528 8.360 5.775 1.00 3.75 C +ATOM 728 CG LEU D 234 -57.024 8.074 5.813 1.00 3.71 C +ATOM 729 CD1 LEU D 234 -56.452 8.046 4.411 1.00 3.92 C +ATOM 730 CD2 LEU D 234 -56.292 9.104 6.666 1.00 3.52 C +ATOM 731 N ARG D 235 -61.698 8.110 6.562 1.00 3.83 N +ATOM 732 CA ARG D 235 -63.031 8.737 6.485 1.00 3.85 C +ATOM 733 C ARG D 235 -64.144 7.788 6.941 1.00 3.85 C +ATOM 734 O ARG D 235 -64.948 7.337 6.123 1.00 3.79 O +ATOM 735 CB ARG D 235 -63.331 9.194 5.049 1.00 3.86 C +ATOM 736 CG ARG D 235 -62.395 10.255 4.479 1.00 3.84 C +ATOM 737 CD ARG D 235 -62.489 10.295 2.960 1.00 3.75 C +ATOM 738 NE ARG D 235 -61.985 9.055 2.362 1.00 3.86 N +ATOM 739 CZ ARG D 235 -60.702 8.787 2.110 1.00 3.31 C +ATOM 740 NH1 ARG D 235 -59.745 9.670 2.384 1.00 3.13 N +ATOM 741 NH2 ARG D 235 -60.373 7.619 1.574 1.00 3.17 N +ATOM 742 N PRO D 236 -64.203 7.480 8.249 1.00 3.87 N +ATOM 743 CA PRO D 236 -65.262 6.590 8.739 1.00 3.88 C +ATOM 744 C PRO D 236 -66.665 7.168 8.546 1.00 3.82 C +ATOM 745 O PRO D 236 -66.912 8.314 8.915 1.00 3.75 O +ATOM 746 CB PRO D 236 -64.944 6.445 10.235 1.00 3.89 C +ATOM 747 CG PRO D 236 -63.535 6.897 10.390 1.00 3.90 C +ATOM 748 CD PRO D 236 -63.305 7.915 9.332 1.00 3.83 C Added: SwiftApps/modFTdock/input/indata/3eq5-5.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3eq5-5.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3eq5-5.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,747 @@ +ATOM 1 N THR E 142 -57.346 -38.610 32.569 1.00 3.76 N +ATOM 2 CA THR E 142 -58.058 -37.307 32.713 1.00 3.79 C +ATOM 3 C THR E 142 -57.287 -36.193 32.009 1.00 3.80 C +ATOM 4 O THR E 142 -56.369 -35.600 32.581 1.00 3.76 O +ATOM 5 CB THR E 142 -58.254 -36.933 34.194 1.00 3.79 C +ATOM 6 OG1 THR E 142 -56.988 -36.945 34.867 1.00 3.81 O +ATOM 7 CG2 THR E 142 -59.203 -37.914 34.873 1.00 3.83 C +ATOM 8 N GLU E 143 -57.667 -35.919 30.763 1.00 3.83 N +ATOM 9 CA GLU E 143 -57.019 -34.884 29.964 1.00 3.85 C +ATOM 10 C GLU E 143 -57.712 -33.538 30.169 1.00 3.85 C +ATOM 11 O GLU E 143 -58.944 -33.454 30.194 1.00 3.83 O +ATOM 12 CB GLU E 143 -57.013 -35.272 28.478 1.00 3.88 C +ATOM 13 CG GLU E 143 -56.387 -34.231 27.527 1.00 3.97 C +ATOM 14 CD GLU E 143 -54.972 -33.813 27.917 1.00 3.98 C +ATOM 15 OE1 GLU E 143 -54.209 -34.662 28.428 1.00 4.05 O +ATOM 16 OE2 GLU E 143 -54.618 -32.633 27.702 1.00 3.91 O +ATOM 17 N LEU E 144 -56.901 -32.493 30.316 1.00 3.82 N +ATOM 18 CA LEU E 144 -57.394 -31.140 30.554 1.00 3.81 C +ATOM 19 C LEU E 144 -57.729 -30.442 29.239 1.00 3.81 C +ATOM 20 O LEU E 144 -56.922 -30.441 28.306 1.00 3.86 O +ATOM 21 CB LEU E 144 -56.349 -30.333 31.335 1.00 3.83 C +ATOM 22 CG LEU E 144 -56.609 -28.837 31.538 1.00 3.85 C +ATOM 23 CD1 LEU E 144 -56.003 -28.366 32.843 1.00 3.69 C +ATOM 24 CD2 LEU E 144 -56.064 -28.017 30.371 1.00 3.96 C +ATOM 25 N THR E 145 -58.920 -29.848 29.180 1.00 3.78 N +ATOM 26 CA THR E 145 -59.364 -29.065 28.023 1.00 3.75 C +ATOM 27 C THR E 145 -59.642 -27.623 28.472 1.00 3.76 C +ATOM 28 O THR E 145 -59.271 -27.242 29.583 1.00 3.78 O +ATOM 29 CB THR E 145 -60.615 -29.700 27.357 1.00 3.78 C +ATOM 30 OG1 THR E 145 -60.918 -29.014 26.134 1.00 3.67 O +ATOM 31 CG2 THR E 145 -61.824 -29.649 28.287 1.00 3.72 C +ATOM 32 N GLN E 146 -60.277 -26.825 27.614 1.00 3.77 N +ATOM 33 CA GLN E 146 -60.586 -25.426 27.941 1.00 3.77 C +ATOM 34 C GLN E 146 -61.916 -24.966 27.343 1.00 3.73 C +ATOM 35 O GLN E 146 -62.330 -25.449 26.289 1.00 3.72 O +ATOM 36 CB GLN E 146 -59.447 -24.503 27.488 1.00 3.80 C +ATOM 37 CG GLN E 146 -59.046 -24.642 26.023 1.00 3.85 C +ATOM 38 CD GLN E 146 -57.800 -23.834 25.672 1.00 4.29 C +ATOM 39 OE1 GLN E 146 -57.252 -23.107 26.507 1.00 4.22 O +ATOM 40 NE2 GLN E 146 -57.348 -23.961 24.427 1.00 4.43 N +ATOM 41 N THR E 147 -62.576 -24.033 28.028 1.00 3.70 N +ATOM 42 CA THR E 147 -63.905 -23.558 27.631 1.00 3.69 C +ATOM 43 C THR E 147 -64.132 -22.099 28.031 1.00 3.67 C +ATOM 44 O THR E 147 -63.658 -21.652 29.074 1.00 3.73 O +ATOM 45 CB THR E 147 -65.012 -24.431 28.255 1.00 3.76 C +ATOM 46 OG1 THR E 147 -66.301 -23.987 27.805 1.00 3.75 O +ATOM 47 CG2 THR E 147 -64.949 -24.376 29.778 1.00 3.74 C +ATOM 48 N VAL E 148 -64.875 -21.373 27.199 1.00 3.66 N +ATOM 49 CA VAL E 148 -65.063 -19.930 27.372 1.00 3.64 C +ATOM 50 C VAL E 148 -66.010 -19.600 28.527 1.00 3.63 C +ATOM 51 O VAL E 148 -67.033 -20.258 28.705 1.00 3.72 O +ATOM 52 CB VAL E 148 -65.604 -19.277 26.078 1.00 3.61 C +ATOM 53 CG1 VAL E 148 -65.938 -17.808 26.310 1.00 3.56 C +ATOM 54 CG2 VAL E 148 -64.596 -19.420 24.950 1.00 3.58 C +ATOM 55 N LEU E 149 -65.648 -18.582 29.305 1.00 3.60 N +ATOM 56 CA LEU E 149 -66.504 -18.044 30.364 1.00 3.56 C +ATOM 57 C LEU E 149 -66.307 -16.532 30.448 1.00 3.57 C +ATOM 58 O LEU E 149 -65.227 -16.071 30.810 1.00 3.54 O +ATOM 59 CB LEU E 149 -66.167 -18.685 31.715 1.00 3.53 C +ATOM 60 CG LEU E 149 -66.944 -18.168 32.934 1.00 3.43 C +ATOM 61 CD1 LEU E 149 -68.431 -18.467 32.798 1.00 3.36 C +ATOM 62 CD2 LEU E 149 -66.397 -18.769 34.216 1.00 3.25 C +ATOM 63 N GLU E 150 -67.348 -15.772 30.113 1.00 3.55 N +ATOM 64 CA GLU E 150 -67.296 -14.304 30.136 1.00 3.55 C +ATOM 65 C GLU E 150 -66.112 -13.763 29.326 1.00 3.54 C +ATOM 66 O GLU E 150 -65.388 -12.874 29.778 1.00 3.52 O +ATOM 67 CB GLU E 150 -67.243 -13.785 31.579 1.00 3.54 C +ATOM 68 CG GLU E 150 -68.502 -14.067 32.391 1.00 3.52 C +ATOM 69 CD GLU E 150 -69.642 -13.122 32.063 1.00 3.41 C +ATOM 70 OE1 GLU E 150 -69.417 -11.893 32.043 1.00 3.35 O +ATOM 71 OE2 GLU E 150 -70.769 -13.607 31.837 1.00 3.52 O +ATOM 72 N GLY E 151 -65.926 -14.315 28.130 1.00 3.57 N +ATOM 73 CA GLY E 151 -64.850 -13.897 27.228 1.00 3.57 C +ATOM 74 C GLY E 151 -63.458 -14.299 27.682 1.00 3.56 C +ATOM 75 O GLY E 151 -62.468 -13.702 27.261 1.00 3.59 O +ATOM 76 N GLU E 152 -63.384 -15.322 28.530 1.00 3.55 N +ATOM 77 CA GLU E 152 -62.124 -15.768 29.117 1.00 3.56 C +ATOM 78 C GLU E 152 -61.995 -17.280 28.957 1.00 3.50 C +ATOM 79 O GLU E 152 -62.931 -18.018 29.257 1.00 3.45 O +ATOM 80 CB GLU E 152 -62.087 -15.397 30.600 1.00 3.59 C +ATOM 81 CG GLU E 152 -60.735 -15.577 31.274 1.00 3.78 C +ATOM 82 CD GLU E 152 -59.872 -14.335 31.214 1.00 3.94 C +ATOM 83 OE1 GLU E 152 -59.181 -14.060 32.216 1.00 4.02 O +ATOM 84 OE2 GLU E 152 -59.886 -13.637 30.177 1.00 4.18 O +ATOM 85 N SER E 153 -60.832 -17.730 28.491 1.00 3.48 N +ATOM 86 CA SER E 153 -60.578 -19.154 28.271 1.00 3.47 C +ATOM 87 C SER E 153 -60.182 -19.861 29.569 1.00 3.48 C +ATOM 88 O SER E 153 -59.019 -19.828 29.977 1.00 3.43 O +ATOM 89 CB SER E 153 -59.486 -19.343 27.215 1.00 3.47 C +ATOM 90 OG SER E 153 -59.219 -20.718 26.999 1.00 3.49 O +ATOM 91 N ILE E 154 -61.156 -20.510 30.204 1.00 3.50 N +ATOM 92 CA ILE E 154 -60.936 -21.209 31.469 1.00 3.50 C +ATOM 93 C ILE E 154 -60.565 -22.670 31.225 1.00 3.48 C +ATOM 94 O ILE E 154 -61.215 -23.353 30.435 1.00 3.49 O +ATOM 95 CB ILE E 154 -62.194 -21.170 32.361 1.00 3.48 C +ATOM 96 CG1 ILE E 154 -62.636 -19.726 32.622 1.00 3.48 C +ATOM 97 CG2 ILE E 154 -61.932 -21.880 33.678 1.00 3.53 C +ATOM 98 CD1 ILE E 154 -61.605 -18.881 33.347 1.00 3.13 C +ATOM 99 N SER E 155 -59.521 -23.137 31.907 1.00 3.46 N +ATOM 100 CA SER E 155 -59.118 -24.544 31.856 1.00 3.43 C +ATOM 101 C SER E 155 -60.142 -25.396 32.600 1.00 3.42 C +ATOM 102 O SER E 155 -60.676 -24.974 33.628 1.00 3.37 O +ATOM 103 CB SER E 155 -57.731 -24.743 32.480 1.00 3.44 C +ATOM 104 OG SER E 155 -56.706 -24.231 31.646 1.00 3.41 O +ATOM 105 N CYS E 156 -60.411 -26.591 32.080 1.00 3.44 N +ATOM 106 CA CYS E 156 -61.432 -27.466 32.659 1.00 3.46 C +ATOM 107 C CYS E 156 -61.236 -28.936 32.304 1.00 3.40 C +ATOM 108 O CYS E 156 -60.610 -29.271 31.300 1.00 3.38 O +ATOM 109 CB CYS E 156 -62.821 -27.030 32.198 1.00 3.42 C +ATOM 110 SG CYS E 156 -63.087 -27.242 30.430 1.00 3.56 S +ATOM 111 N PHE E 157 -61.797 -29.803 33.141 1.00 3.40 N +ATOM 112 CA PHE E 157 -61.774 -31.243 32.909 1.00 3.44 C +ATOM 113 C PHE E 157 -63.128 -31.729 32.406 1.00 3.44 C +ATOM 114 O PHE E 157 -64.160 -31.465 33.026 1.00 3.38 O +ATOM 115 CB PHE E 157 -61.421 -31.982 34.198 1.00 3.46 C +ATOM 116 CG PHE E 157 -60.027 -31.725 34.675 1.00 3.36 C +ATOM 117 CD1 PHE E 157 -59.793 -30.971 35.818 1.00 3.34 C +ATOM 118 CD2 PHE E 157 -58.944 -32.235 33.977 1.00 3.35 C +ATOM 119 CE1 PHE E 157 -58.502 -30.735 36.257 1.00 3.33 C +ATOM 120 CE2 PHE E 157 -57.652 -32.002 34.407 1.00 3.48 C +ATOM 121 CZ PHE E 157 -57.429 -31.252 35.551 1.00 3.44 C +ATOM 122 N GLN E 158 -63.116 -32.440 31.283 1.00 3.48 N +ATOM 123 CA GLN E 158 -64.325 -33.057 30.752 1.00 3.51 C +ATOM 124 C GLN E 158 -64.596 -34.341 31.530 1.00 3.51 C +ATOM 125 O GLN E 158 -63.976 -35.374 31.271 1.00 3.54 O +ATOM 126 CB GLN E 158 -64.171 -33.351 29.253 1.00 3.53 C +ATOM 127 CG GLN E 158 -65.453 -33.814 28.558 1.00 3.50 C +ATOM 128 CD GLN E 158 -66.459 -32.693 28.362 1.00 3.44 C +ATOM 129 OE1 GLN E 158 -66.166 -31.690 27.715 1.00 3.55 O +ATOM 130 NE2 GLN E 158 -67.656 -32.866 28.912 1.00 3.38 N +ATOM 131 N VAL E 159 -65.502 -34.259 32.501 1.00 3.54 N +ATOM 132 CA VAL E 159 -65.925 -35.425 33.279 1.00 3.54 C +ATOM 133 C VAL E 159 -67.344 -35.806 32.868 1.00 3.60 C +ATOM 134 O VAL E 159 -68.317 -35.199 33.323 1.00 3.61 O +ATOM 135 CB VAL E 159 -65.874 -35.155 34.801 1.00 3.56 C +ATOM 136 CG1 VAL E 159 -66.329 -36.382 35.582 1.00 3.32 C +ATOM 137 CG2 VAL E 159 -64.469 -34.743 35.222 1.00 3.54 C +ATOM 138 N GLY E 160 -67.451 -36.807 31.997 1.00 3.63 N +ATOM 139 CA GLY E 160 -68.739 -37.247 31.475 1.00 3.63 C +ATOM 140 C GLY E 160 -69.375 -36.162 30.629 1.00 3.67 C +ATOM 141 O GLY E 160 -68.751 -35.651 29.698 1.00 3.68 O +ATOM 142 N GLY E 161 -70.610 -35.797 30.970 1.00 3.70 N +ATOM 143 CA GLY E 161 -71.343 -34.747 30.261 1.00 3.71 C +ATOM 144 C GLY E 161 -71.198 -33.358 30.863 1.00 3.74 C +ATOM 145 O GLY E 161 -71.901 -32.433 30.453 1.00 3.75 O +ATOM 146 N GLU E 162 -70.295 -33.211 31.833 1.00 3.76 N +ATOM 147 CA GLU E 162 -70.027 -31.922 32.474 1.00 3.80 C +ATOM 148 C GLU E 162 -68.585 -31.483 32.258 1.00 3.75 C +ATOM 149 O GLU E 162 -67.673 -32.308 32.198 1.00 3.78 O +ATOM 150 CB GLU E 162 -70.303 -31.997 33.981 1.00 3.85 C +ATOM 151 CG GLU E 162 -71.765 -31.800 34.366 1.00 4.16 C +ATOM 152 CD GLU E 162 -71.968 -31.687 35.871 1.00 4.47 C +ATOM 153 OE1 GLU E 162 -71.410 -32.518 36.619 1.00 4.65 O +ATOM 154 OE2 GLU E 162 -72.692 -30.766 36.304 1.00 4.59 O +ATOM 155 N LYS E 163 -68.392 -30.175 32.141 1.00 3.70 N +ATOM 156 CA LYS E 163 -67.062 -29.584 32.171 1.00 3.69 C +ATOM 157 C LYS E 163 -66.853 -28.967 33.552 1.00 3.63 C +ATOM 158 O LYS E 163 -67.650 -28.129 33.983 1.00 3.57 O +ATOM 159 CB LYS E 163 -66.917 -28.530 31.071 1.00 3.72 C +ATOM 160 CG LYS E 163 -66.948 -29.117 29.663 1.00 3.83 C +ATOM 161 CD LYS E 163 -67.101 -28.049 28.588 1.00 3.85 C +ATOM 162 CE LYS E 163 -67.291 -28.682 27.215 1.00 3.85 C +ATOM 163 NZ LYS E 163 -67.597 -27.679 26.156 1.00 3.96 N +ATOM 164 N AARG E 164 -65.797 -29.404 34.240 0.50 3.61 N +ATOM 165 N BARG E 164 -65.794 -29.390 34.239 0.50 3.60 N +ATOM 166 CA AARG E 164 -65.445 -28.904 35.572 0.50 3.59 C +ATOM 167 CA BARG E 164 -65.472 -28.886 35.574 0.50 3.57 C +ATOM 168 C AARG E 164 -64.338 -27.856 35.469 0.50 3.56 C +ATOM 169 C BARG E 164 -64.343 -27.860 35.492 0.50 3.55 C +ATOM 170 O AARG E 164 -63.179 -28.200 35.240 0.50 3.53 O +ATOM 171 O BARG E 164 -63.182 -28.221 35.293 0.50 3.52 O +ATOM 172 CB AARG E 164 -64.962 -30.052 36.460 0.50 3.60 C +ATOM 173 CB BARG E 164 -65.081 -30.042 36.494 0.50 3.58 C +ATOM 174 CG AARG E 164 -66.033 -31.068 36.842 0.50 3.66 C +ATOM 175 CG BARG E 164 -66.152 -31.122 36.600 0.50 3.58 C +ATOM 176 CD AARG E 164 -67.096 -30.457 37.739 0.50 3.65 C +ATOM 177 CD BARG E 164 -65.773 -32.208 37.596 0.50 3.51 C +ATOM 178 NE AARG E 164 -67.723 -31.450 38.608 0.50 3.68 N +ATOM 179 NE BARG E 164 -66.750 -33.292 37.613 0.50 3.45 N +ATOM 180 CZ AARG E 164 -68.548 -32.403 38.184 0.50 3.67 C +ATOM 181 CZ BARG E 164 -66.665 -34.365 38.392 0.50 3.39 C +ATOM 182 NH1AARG E 164 -69.073 -33.260 39.047 0.50 3.54 N +ATOM 183 NH1BARG E 164 -67.602 -35.301 38.336 0.50 3.33 N +ATOM 184 NH2AARG E 164 -68.840 -32.504 36.895 0.50 3.73 N +ATOM 185 NH2BARG E 164 -65.644 -34.502 39.227 0.50 3.41 N +ATOM 186 N LEU E 165 -64.694 -26.586 35.653 1.00 3.55 N +ATOM 187 CA LEU E 165 -63.739 -25.472 35.484 1.00 3.48 C +ATOM 188 C LEU E 165 -62.804 -25.283 36.679 1.00 3.41 C +ATOM 189 O LEU E 165 -63.163 -25.591 37.814 1.00 3.35 O +ATOM 190 CB LEU E 165 -64.489 -24.159 35.226 1.00 3.50 C +ATOM 191 CG LEU E 165 -65.176 -23.970 33.868 1.00 3.43 C +ATOM 192 CD1 LEU E 165 -66.167 -25.085 33.553 1.00 3.14 C +ATOM 193 CD2 LEU E 165 -65.872 -22.619 33.832 1.00 3.30 C +ATOM 194 N CYS E 166 -61.610 -24.759 36.407 1.00 3.37 N +ATOM 195 CA CYS E 166 -60.630 -24.447 37.450 1.00 3.34 C +ATOM 196 C CYS E 166 -61.102 -23.239 38.260 1.00 3.29 C +ATOM 197 O CYS E 166 -61.225 -22.138 37.725 1.00 3.27 O +ATOM 198 CB CYS E 166 -59.259 -24.163 36.826 1.00 3.36 C +ATOM 199 SG CYS E 166 -57.928 -23.791 38.009 1.00 3.32 S +ATOM 200 N LEU E 167 -61.361 -23.452 39.548 1.00 3.24 N +ATOM 201 CA LEU E 167 -61.954 -22.419 40.405 1.00 3.24 C +ATOM 202 C LEU E 167 -61.055 -21.188 40.640 1.00 3.23 C +ATOM 203 O LEU E 167 -61.534 -20.057 40.535 1.00 3.15 O +ATOM 204 CB LEU E 167 -62.413 -23.026 41.740 1.00 3.18 C +ATOM 205 CG LEU E 167 -63.139 -22.102 42.720 1.00 3.04 C +ATOM 206 CD1 LEU E 167 -64.332 -21.426 42.063 1.00 2.92 C +ATOM 207 CD2 LEU E 167 -63.576 -22.882 43.947 1.00 2.94 C +ATOM 208 N PRO E 168 -59.763 -21.394 40.962 1.00 3.25 N +ATOM 209 CA PRO E 168 -58.874 -20.234 41.099 1.00 3.33 C +ATOM 210 C PRO E 168 -58.922 -19.263 39.914 1.00 3.32 C +ATOM 211 O PRO E 168 -58.913 -18.051 40.121 1.00 3.30 O +ATOM 212 CB PRO E 168 -57.486 -20.870 41.214 1.00 3.30 C +ATOM 213 CG PRO E 168 -57.736 -22.183 41.844 1.00 3.34 C +ATOM 214 CD PRO E 168 -59.091 -22.641 41.373 1.00 3.24 C +ATOM 215 N GLN E 169 -58.981 -19.794 38.694 1.00 3.32 N +ATOM 216 CA GLN E 169 -59.024 -18.962 37.487 1.00 3.32 C +ATOM 217 C GLN E 169 -60.294 -18.117 37.408 1.00 3.42 C +ATOM 218 O GLN E 169 -60.250 -16.973 36.957 1.00 3.47 O +ATOM 219 CB GLN E 169 -58.900 -19.817 36.221 1.00 3.30 C +ATOM 220 CG GLN E 169 -57.482 -20.250 35.891 1.00 3.19 C +ATOM 221 CD GLN E 169 -57.339 -20.753 34.465 1.00 3.10 C +ATOM 222 OE1 GLN E 169 -58.261 -21.340 33.901 1.00 3.03 O +ATOM 223 NE2 GLN E 169 -56.173 -20.527 33.875 1.00 3.25 N +ATOM 224 N VAL E 170 -61.418 -18.685 37.837 1.00 3.45 N +ATOM 225 CA VAL E 170 -62.697 -17.975 37.820 1.00 3.47 C +ATOM 226 C VAL E 170 -62.713 -16.871 38.876 1.00 3.49 C +ATOM 227 O VAL E 170 -63.118 -15.742 38.597 1.00 3.47 O +ATOM 228 CB VAL E 170 -63.895 -18.930 38.065 1.00 3.51 C +ATOM 229 CG1 VAL E 170 -65.206 -18.158 38.056 1.00 3.43 C +ATOM 230 CG2 VAL E 170 -63.928 -20.035 37.019 1.00 3.42 C +ATOM 231 N LEU E 171 -62.263 -17.203 40.083 1.00 3.52 N +ATOM 232 CA LEU E 171 -62.253 -16.254 41.200 1.00 3.54 C +ATOM 233 C LEU E 171 -61.236 -15.122 41.026 1.00 3.56 C +ATOM 234 O LEU E 171 -61.515 -13.976 41.384 1.00 3.49 O +ATOM 235 CB LEU E 171 -61.971 -16.983 42.520 1.00 3.54 C +ATOM 236 CG LEU E 171 -62.971 -18.057 42.959 1.00 3.44 C +ATOM 237 CD1 LEU E 171 -62.440 -18.808 44.174 1.00 3.28 C +ATOM 238 CD2 LEU E 171 -64.333 -17.450 43.257 1.00 3.32 C +ATOM 239 N ASN E 172 -60.065 -15.442 40.479 1.00 3.64 N +ATOM 240 CA ASN E 172 -58.948 -14.485 40.419 1.00 3.70 C +ATOM 241 C ASN E 172 -58.805 -13.699 39.108 1.00 3.66 C +ATOM 242 O ASN E 172 -57.859 -12.927 38.962 1.00 3.67 O +ATOM 243 CB ASN E 172 -57.628 -15.199 40.739 1.00 3.74 C +ATOM 244 CG ASN E 172 -57.620 -15.828 42.128 1.00 3.98 C +ATOM 245 OD1 ASN E 172 -58.381 -15.429 43.014 1.00 4.19 O +ATOM 246 ND2 ASN E 172 -56.750 -16.814 42.323 1.00 4.18 N +ATOM 247 N SER E 173 -59.731 -13.881 38.166 1.00 3.63 N +ATOM 248 CA SER E 173 -59.718 -13.097 36.921 1.00 3.61 C +ATOM 249 C SER E 173 -61.123 -12.686 36.469 1.00 3.55 C +ATOM 250 O SER E 173 -61.404 -11.499 36.322 1.00 3.60 O +ATOM 251 CB SER E 173 -58.988 -13.851 35.802 1.00 3.59 C +ATOM 252 OG SER E 173 -59.771 -14.906 35.272 1.00 3.80 O +ATOM 253 N VAL E 174 -61.994 -13.667 36.250 1.00 3.50 N +ATOM 254 CA VAL E 174 -63.368 -13.403 35.810 1.00 3.43 C +ATOM 255 C VAL E 174 -64.170 -12.638 36.867 1.00 3.39 C +ATOM 256 O VAL E 174 -64.903 -11.707 36.535 1.00 3.37 O +ATOM 257 CB VAL E 174 -64.119 -14.710 35.447 1.00 3.43 C +ATOM 258 CG1 VAL E 174 -65.586 -14.430 35.162 1.00 3.31 C +ATOM 259 CG2 VAL E 174 -63.468 -15.385 34.250 1.00 3.35 C +ATOM 260 N LEU E 175 -64.025 -13.035 38.130 1.00 3.32 N +ATOM 261 CA LEU E 175 -64.738 -12.391 39.238 1.00 3.31 C +ATOM 262 C LEU E 175 -63.785 -11.686 40.218 1.00 3.33 C +ATOM 263 O LEU E 175 -64.035 -11.654 41.425 1.00 3.29 O +ATOM 264 CB LEU E 175 -65.595 -13.424 39.979 1.00 3.28 C +ATOM 265 CG LEU E 175 -66.615 -14.193 39.127 1.00 3.23 C +ATOM 266 CD1 LEU E 175 -67.240 -15.325 39.925 1.00 3.02 C +ATOM 267 CD2 LEU E 175 -67.692 -13.265 38.588 1.00 3.06 C +ATOM 268 N ARG E 176 -62.704 -11.108 39.697 1.00 3.30 N +ATOM 269 CA ARG E 176 -61.735 -10.393 40.538 1.00 3.33 C +ATOM 270 C ARG E 176 -62.357 -9.142 41.162 1.00 3.31 C +ATOM 271 O ARG E 176 -62.028 -8.771 42.289 1.00 3.24 O +ATOM 272 CB ARG E 176 -60.488 -10.011 39.727 1.00 3.32 C +ATOM 273 CG ARG E 176 -59.398 -9.273 40.515 1.00 3.25 C +ATOM 274 CD ARG E 176 -58.806 -10.136 41.624 1.00 3.14 C +ATOM 275 NE ARG E 176 -57.867 -9.397 42.470 1.00 2.98 N +ATOM 276 CZ ARG E 176 -58.213 -8.541 43.433 1.00 2.84 C +ATOM 277 NH1 ARG E 176 -59.490 -8.277 43.693 1.00 2.65 N +ATOM 278 NH2 ARG E 176 -57.267 -7.934 44.139 1.00 2.84 N +ATOM 279 N GLU E 177 -63.261 -8.510 40.417 1.00 3.30 N +ATOM 280 CA GLU E 177 -63.935 -7.282 40.853 1.00 3.28 C +ATOM 281 C GLU E 177 -64.904 -7.479 42.026 1.00 3.23 C +ATOM 282 O GLU E 177 -65.361 -6.502 42.620 1.00 3.15 O +ATOM 283 CB GLU E 177 -64.681 -6.647 39.673 1.00 3.28 C +ATOM 284 CG GLU E 177 -65.838 -7.485 39.132 1.00 3.24 C +ATOM 285 CD GLU E 177 -66.175 -7.155 37.691 1.00 3.11 C +ATOM 286 OE1 GLU E 177 -66.817 -6.111 37.450 1.00 3.04 O +ATOM 287 OE2 GLU E 177 -65.804 -7.947 36.800 1.00 3.00 O +ATOM 288 N PHE E 178 -65.222 -8.732 42.346 1.00 3.23 N +ATOM 289 CA PHE E 178 -66.098 -9.050 43.473 1.00 3.27 C +ATOM 290 C PHE E 178 -65.299 -9.629 44.631 1.00 3.23 C +ATOM 291 O PHE E 178 -64.372 -10.411 44.421 1.00 3.19 O +ATOM 292 CB PHE E 178 -67.175 -10.043 43.039 1.00 3.26 C +ATOM 293 CG PHE E 178 -68.051 -9.533 41.938 1.00 3.28 C +ATOM 294 CD1 PHE E 178 -69.141 -8.722 42.222 1.00 3.32 C +ATOM 295 CD2 PHE E 178 -67.782 -9.851 40.614 1.00 3.33 C +ATOM 296 CE1 PHE E 178 -69.955 -8.240 41.205 1.00 3.27 C +ATOM 297 CE2 PHE E 178 -68.591 -9.374 39.590 1.00 3.27 C +ATOM 298 CZ PHE E 178 -69.678 -8.565 39.887 1.00 3.23 C +ATOM 299 N THR E 179 -65.667 -9.247 45.850 1.00 3.28 N +ATOM 300 CA THR E 179 -64.964 -9.705 47.048 1.00 3.34 C +ATOM 301 C THR E 179 -65.242 -11.182 47.321 1.00 3.36 C +ATOM 302 O THR E 179 -66.315 -11.691 47.002 1.00 3.37 O +ATOM 303 CB THR E 179 -65.359 -8.885 48.297 1.00 3.37 C +ATOM 304 OG1 THR E 179 -66.769 -8.999 48.524 1.00 3.37 O +ATOM 305 CG2 THR E 179 -64.986 -7.418 48.123 1.00 3.21 C +ATOM 306 N LEU E 180 -64.268 -11.850 47.930 1.00 3.40 N +ATOM 307 CA LEU E 180 -64.327 -13.292 48.184 1.00 3.40 C +ATOM 308 C LEU E 180 -65.524 -13.664 49.072 1.00 3.52 C +ATOM 309 O LEU E 180 -66.129 -14.728 48.904 1.00 3.42 O +ATOM 310 CB LEU E 180 -63.010 -13.763 48.818 1.00 3.42 C +ATOM 311 CG LEU E 180 -62.557 -15.197 48.532 1.00 3.40 C +ATOM 312 CD1 LEU E 180 -61.032 -15.305 48.612 1.00 2.96 C +ATOM 313 CD2 LEU E 180 -63.224 -16.185 49.479 1.00 3.27 C +ATOM 314 N GLN E 181 -65.862 -12.776 50.005 1.00 3.58 N +ATOM 315 CA GLN E 181 -67.041 -12.941 50.863 1.00 3.60 C +ATOM 316 C GLN E 181 -68.341 -12.858 50.060 1.00 3.56 C +ATOM 317 O GLN E 181 -69.282 -13.617 50.304 1.00 3.58 O +ATOM 318 CB GLN E 181 -67.049 -11.870 51.961 1.00 3.61 C +ATOM 319 CG GLN E 181 -68.176 -12.007 52.983 1.00 3.77 C +ATOM 320 CD GLN E 181 -68.264 -10.818 53.928 1.00 3.87 C +ATOM 321 OE1 GLN E 181 -67.252 -10.211 54.281 1.00 3.71 O +ATOM 322 NE2 GLN E 181 -69.482 -10.484 54.346 1.00 3.95 N +ATOM 323 N GLN E 182 -68.386 -11.923 49.114 1.00 3.54 N +ATOM 324 CA GLN E 182 -69.575 -11.697 48.291 1.00 3.56 C +ATOM 325 C GLN E 182 -69.765 -12.794 47.235 1.00 3.54 C +ATOM 326 O GLN E 182 -70.879 -13.020 46.763 1.00 3.56 O +ATOM 327 CB GLN E 182 -69.494 -10.322 47.622 1.00 3.58 C +ATOM 328 CG GLN E 182 -70.792 -9.848 46.985 1.00 3.66 C +ATOM 329 CD GLN E 182 -70.734 -8.397 46.534 1.00 3.73 C +ATOM 330 OE1 GLN E 182 -69.677 -7.763 46.554 1.00 3.95 O +ATOM 331 NE2 GLN E 182 -71.879 -7.864 46.125 1.00 3.76 N +ATOM 332 N ILE E 183 -68.673 -13.461 46.866 1.00 3.57 N +ATOM 333 CA ILE E 183 -68.719 -14.593 45.942 1.00 3.54 C +ATOM 334 C ILE E 183 -69.291 -15.817 46.651 1.00 3.57 C +ATOM 335 O ILE E 183 -70.200 -16.474 46.139 1.00 3.63 O +ATOM 336 CB ILE E 183 -67.313 -14.955 45.404 1.00 3.59 C +ATOM 337 CG1 ILE E 183 -66.726 -13.807 44.572 1.00 3.74 C +ATOM 338 CG2 ILE E 183 -67.371 -16.225 44.565 1.00 3.33 C +ATOM 339 CD1 ILE E 183 -67.403 -13.605 43.236 1.00 4.00 C +ATOM 340 N ASN E 184 -68.749 -16.115 47.830 1.00 3.54 N +ATOM 341 CA ASN E 184 -69.200 -17.257 48.628 1.00 3.59 C +ATOM 342 C ASN E 184 -70.618 -17.097 49.177 1.00 3.59 C +ATOM 343 O ASN E 184 -71.286 -18.092 49.454 1.00 3.55 O +ATOM 344 CB ASN E 184 -68.232 -17.538 49.784 1.00 3.61 C +ATOM 345 CG ASN E 184 -66.988 -18.280 49.335 1.00 3.76 C +ATOM 346 OD1 ASN E 184 -66.943 -19.511 49.368 1.00 4.01 O +ATOM 347 ND2 ASN E 184 -65.975 -17.536 48.903 1.00 3.51 N +ATOM 348 N THR E 185 -71.067 -15.854 49.345 1.00 3.60 N +ATOM 349 CA THR E 185 -72.435 -15.586 49.800 1.00 3.56 C +ATOM 350 C THR E 185 -73.444 -15.860 48.685 1.00 3.52 C +ATOM 351 O THR E 185 -74.520 -16.394 48.940 1.00 3.47 O +ATOM 352 CB THR E 185 -72.608 -14.140 50.327 1.00 3.57 C +ATOM 353 OG1 THR E 185 -73.843 -14.034 51.042 1.00 3.49 O +ATOM 354 CG2 THR E 185 -72.602 -13.127 49.192 1.00 3.65 C +ATOM 355 N VAL E 186 -73.086 -15.502 47.454 1.00 3.53 N +ATOM 356 CA VAL E 186 -73.933 -15.774 46.292 1.00 3.56 C +ATOM 357 C VAL E 186 -73.950 -17.270 45.975 1.00 3.58 C +ATOM 358 O VAL E 186 -74.942 -17.787 45.463 1.00 3.61 O +ATOM 359 CB VAL E 186 -73.475 -14.968 45.058 1.00 3.55 C +ATOM 360 CG1 VAL E 186 -74.209 -15.418 43.803 1.00 3.41 C +ATOM 361 CG2 VAL E 186 -73.698 -13.487 45.296 1.00 3.66 C +ATOM 362 N CYS E 187 -72.854 -17.959 46.288 1.00 3.58 N +ATOM 363 CA CYS E 187 -72.794 -19.418 46.161 1.00 3.57 C +ATOM 364 C CYS E 187 -73.752 -20.113 47.132 1.00 3.57 C +ATOM 365 O CYS E 187 -74.399 -21.097 46.771 1.00 3.52 O +ATOM 366 CB CYS E 187 -71.367 -19.926 46.379 1.00 3.56 C +ATOM 367 SG CYS E 187 -70.296 -19.693 44.951 1.00 3.47 S +ATOM 368 N ASP E 188 -73.837 -19.599 48.357 1.00 3.58 N +ATOM 369 CA ASP E 188 -74.783 -20.116 49.354 1.00 3.63 C +ATOM 370 C ASP E 188 -76.223 -19.725 49.028 1.00 3.56 C +ATOM 371 O ASP E 188 -77.162 -20.410 49.427 1.00 3.50 O +ATOM 372 CB ASP E 188 -74.417 -19.617 50.754 1.00 3.63 C +ATOM 373 CG ASP E 188 -73.083 -20.152 51.235 1.00 3.77 C +ATOM 374 OD1 ASP E 188 -72.662 -19.772 52.348 1.00 3.95 O +ATOM 375 OD2 ASP E 188 -72.454 -20.949 50.505 1.00 3.95 O +ATOM 376 N GLU E 189 -76.381 -18.613 48.315 1.00 3.58 N +ATOM 377 CA GLU E 189 -77.680 -18.166 47.816 1.00 3.64 C +ATOM 378 C GLU E 189 -78.212 -19.147 46.771 1.00 3.61 C +ATOM 379 O GLU E 189 -79.393 -19.507 46.780 1.00 3.62 O +ATOM 380 CB GLU E 189 -77.543 -16.774 47.184 1.00 3.71 C +ATOM 381 CG GLU E 189 -78.863 -16.026 46.967 1.00 3.84 C +ATOM 382 CD GLU E 189 -79.128 -14.963 48.025 1.00 4.04 C +ATOM 383 OE1 GLU E 189 -78.200 -14.179 48.338 1.00 3.84 O +ATOM 384 OE2 GLU E 189 -80.271 -14.905 48.530 1.00 3.96 O +ATOM 385 N LEU E 190 -77.318 -19.574 45.882 1.00 3.57 N +ATOM 386 CA LEU E 190 -77.654 -20.442 44.754 1.00 3.55 C +ATOM 387 C LEU E 190 -77.277 -21.910 45.002 1.00 3.55 C +ATOM 388 O LEU E 190 -77.354 -22.734 44.089 1.00 3.56 O +ATOM 389 CB LEU E 190 -76.949 -19.929 43.495 1.00 3.55 C +ATOM 390 CG LEU E 190 -77.210 -18.462 43.136 1.00 3.52 C +ATOM 391 CD1 LEU E 190 -76.215 -17.977 42.094 1.00 3.27 C +ATOM 392 CD2 LEU E 190 -78.639 -18.269 42.655 1.00 3.36 C +ATOM 393 N TYR E 191 -76.868 -22.224 46.232 1.00 3.54 N +ATOM 394 CA TYR E 191 -76.563 -23.600 46.657 1.00 3.55 C +ATOM 395 C TYR E 191 -75.482 -24.271 45.802 1.00 3.55 C +ATOM 396 O TYR E 191 -75.615 -25.431 45.407 1.00 3.54 O +ATOM 397 CB TYR E 191 -77.840 -24.452 46.686 1.00 3.56 C +ATOM 398 CG TYR E 191 -78.958 -23.830 47.492 1.00 3.53 C +ATOM 399 CD1 TYR E 191 -79.042 -24.022 48.868 1.00 3.49 C +ATOM 400 CD2 TYR E 191 -79.924 -23.039 46.879 1.00 3.57 C +ATOM 401 CE1 TYR E 191 -80.065 -23.446 49.612 1.00 3.61 C +ATOM 402 CE2 TYR E 191 -80.951 -22.459 47.613 1.00 3.60 C +ATOM 403 CZ TYR E 191 -81.014 -22.667 48.978 1.00 3.66 C +ATOM 404 OH TYR E 191 -82.027 -22.095 49.711 1.00 3.75 O +ATOM 405 N ILE E 192 -74.410 -23.530 45.532 1.00 3.61 N +ATOM 406 CA ILE E 192 -73.275 -24.039 44.765 1.00 3.59 C +ATOM 407 C ILE E 192 -72.197 -24.546 45.721 1.00 3.58 C +ATOM 408 O ILE E 192 -71.753 -23.815 46.603 1.00 3.53 O +ATOM 409 CB ILE E 192 -72.678 -22.950 43.850 1.00 3.57 C +ATOM 410 CG1 ILE E 192 -73.738 -22.438 42.869 1.00 3.52 C +ATOM 411 CG2 ILE E 192 -71.482 -23.496 43.085 1.00 3.59 C +ATOM 412 CD1 ILE E 192 -73.253 -21.325 41.968 1.00 3.33 C +ATOM 413 N TYR E 193 -71.795 -25.803 45.543 1.00 3.62 N +ATOM 414 CA TYR E 193 -70.762 -26.432 46.366 1.00 3.64 C +ATOM 415 C TYR E 193 -69.696 -27.033 45.467 1.00 3.61 C +ATOM 416 O TYR E 193 -69.959 -27.990 44.739 1.00 3.66 O +ATOM 417 CB TYR E 193 -71.360 -27.529 47.244 1.00 3.69 C +ATOM 418 CG TYR E 193 -72.361 -27.028 48.259 1.00 3.92 C +ATOM 419 CD1 TYR E 193 -71.942 -26.341 49.394 1.00 4.06 C +ATOM 420 CD2 TYR E 193 -73.728 -27.251 48.090 1.00 4.28 C +ATOM 421 CE1 TYR E 193 -72.857 -25.880 50.334 1.00 4.23 C +ATOM 422 CE2 TYR E 193 -74.653 -26.795 49.025 1.00 4.38 C +ATOM 423 CZ TYR E 193 -74.208 -26.108 50.144 1.00 4.44 C +ATOM 424 OH TYR E 193 -75.113 -25.652 51.074 1.00 4.89 O +ATOM 425 N CYS E 194 -68.492 -26.477 45.528 1.00 3.59 N +ATOM 426 CA CYS E 194 -67.413 -26.875 44.634 1.00 3.61 C +ATOM 427 C CYS E 194 -66.690 -28.120 45.134 1.00 3.51 C +ATOM 428 O CYS E 194 -66.411 -28.249 46.324 1.00 3.46 O +ATOM 429 CB CYS E 194 -66.421 -25.723 44.474 1.00 3.68 C +ATOM 430 SG CYS E 194 -67.152 -24.254 43.716 1.00 4.05 S +ATOM 431 N SER E 195 -66.396 -29.031 44.210 1.00 3.44 N +ATOM 432 CA SER E 195 -65.607 -30.222 44.510 1.00 3.40 C +ATOM 433 C SER E 195 -64.119 -29.890 44.441 1.00 3.38 C +ATOM 434 O SER E 195 -63.738 -28.786 44.053 1.00 3.37 O +ATOM 435 CB SER E 195 -65.944 -31.351 43.530 1.00 3.39 C +ATOM 436 OG SER E 195 -65.751 -30.944 42.186 1.00 3.32 O +ATOM 437 N ARG E 196 -63.288 -30.853 44.824 1.00 3.36 N +ATOM 438 CA ARG E 196 -61.839 -30.684 44.809 1.00 3.34 C +ATOM 439 C ARG E 196 -61.210 -31.597 43.761 1.00 3.29 C +ATOM 440 O ARG E 196 -61.668 -32.720 43.556 1.00 3.27 O +ATOM 441 CB ARG E 196 -61.268 -30.997 46.192 1.00 3.33 C +ATOM 442 CG ARG E 196 -59.845 -30.513 46.401 1.00 3.35 C +ATOM 443 CD ARG E 196 -59.401 -30.714 47.839 1.00 3.34 C +ATOM 444 NE ARG E 196 -60.091 -29.814 48.761 1.00 3.29 N +ATOM 445 CZ ARG E 196 -59.902 -29.789 50.079 1.00 3.30 C +ATOM 446 NH1 ARG E 196 -59.037 -30.619 50.657 1.00 3.31 N +ATOM 447 NH2 ARG E 196 -60.584 -28.929 50.828 1.00 3.29 N +ATOM 448 N CYS E 197 -60.162 -31.109 43.102 1.00 3.28 N +ATOM 449 CA CYS E 197 -59.444 -31.892 42.095 1.00 3.25 C +ATOM 450 C CYS E 197 -58.866 -33.166 42.698 1.00 3.25 C +ATOM 451 O CYS E 197 -58.547 -33.212 43.885 1.00 3.22 O +ATOM 452 CB CYS E 197 -58.303 -31.073 41.479 1.00 3.26 C +ATOM 453 SG CYS E 197 -58.820 -29.703 40.427 1.00 3.06 S +ATOM 454 N THR E 198 -58.732 -34.197 41.871 1.00 3.26 N +ATOM 455 CA THR E 198 -58.079 -35.433 42.287 1.00 3.27 C +ATOM 456 C THR E 198 -56.565 -35.244 42.298 1.00 3.29 C +ATOM 457 O THR E 198 -56.055 -34.207 41.869 1.00 3.24 O +ATOM 458 CB THR E 198 -58.431 -36.607 41.352 1.00 3.26 C +ATOM 459 OG1 THR E 198 -57.931 -36.344 40.037 1.00 3.19 O +ATOM 460 CG2 THR E 198 -59.936 -36.812 41.290 1.00 3.23 C +ATOM 461 N SER E 199 -55.855 -36.251 42.795 1.00 3.32 N +ATOM 462 CA SER E 199 -54.392 -36.240 42.815 1.00 3.35 C +ATOM 463 C SER E 199 -53.812 -36.040 41.415 1.00 3.39 C +ATOM 464 O SER E 199 -52.860 -35.279 41.235 1.00 3.38 O +ATOM 465 CB SER E 199 -53.861 -37.545 43.414 1.00 3.34 C +ATOM 466 OG SER E 199 -52.447 -37.599 43.351 1.00 3.28 O +ATOM 467 N ASP E 200 -54.398 -36.723 40.433 1.00 3.44 N +ATOM 468 CA ASP E 200 -53.948 -36.641 39.041 1.00 3.46 C +ATOM 469 C ASP E 200 -54.300 -35.300 38.395 1.00 3.47 C +ATOM 470 O ASP E 200 -53.524 -34.765 37.602 1.00 3.44 O +ATOM 471 CB ASP E 200 -54.562 -37.777 38.212 1.00 3.45 C +ATOM 472 CG ASP E 200 -54.118 -39.156 38.676 1.00 3.41 C +ATOM 473 OD1 ASP E 200 -53.312 -39.250 39.626 1.00 3.37 O +ATOM 474 OD2 ASP E 200 -54.580 -40.154 38.085 1.00 3.33 O +ATOM 475 N GLN E 201 -55.471 -34.770 38.736 1.00 3.49 N +ATOM 476 CA GLN E 201 -55.974 -33.529 38.140 1.00 3.55 C +ATOM 477 C GLN E 201 -55.183 -32.309 38.592 1.00 3.51 C +ATOM 478 O GLN E 201 -54.874 -31.431 37.785 1.00 3.43 O +ATOM 479 CB GLN E 201 -57.451 -33.338 38.479 1.00 3.55 C +ATOM 480 CG GLN E 201 -58.371 -34.248 37.691 1.00 3.75 C +ATOM 481 CD GLN E 201 -59.793 -34.268 38.222 1.00 3.94 C +ATOM 482 OE1 GLN E 201 -60.047 -33.926 39.379 1.00 4.25 O +ATOM 483 NE2 GLN E 201 -60.730 -34.680 37.375 1.00 3.79 N +ATOM 484 N LEU E 202 -54.874 -32.254 39.885 1.00 3.51 N +ATOM 485 CA LEU E 202 -54.021 -31.204 40.434 1.00 3.41 C +ATOM 486 C LEU E 202 -52.700 -31.188 39.682 1.00 3.44 C +ATOM 487 O LEU E 202 -52.272 -30.149 39.186 1.00 3.45 O +ATOM 488 CB LEU E 202 -53.768 -31.442 41.927 1.00 3.38 C +ATOM 489 CG LEU E 202 -52.939 -30.402 42.690 1.00 3.23 C +ATOM 490 CD1 LEU E 202 -53.631 -29.051 42.672 1.00 3.15 C +ATOM 491 CD2 LEU E 202 -52.687 -30.852 44.125 1.00 2.73 C +ATOM 492 N HIS E 203 -52.074 -32.356 39.581 1.00 3.48 N +ATOM 493 CA HIS E 203 -50.750 -32.477 38.976 1.00 3.58 C +ATOM 494 C HIS E 203 -50.724 -32.030 37.511 1.00 3.66 C +ATOM 495 O HIS E 203 -49.790 -31.340 37.081 1.00 3.83 O +ATOM 496 CB HIS E 203 -50.232 -33.912 39.096 1.00 3.54 C +ATOM 497 CG HIS E 203 -48.837 -34.087 38.589 1.00 3.54 C +ATOM 498 ND1 HIS E 203 -47.732 -33.635 39.278 1.00 3.51 N +ATOM 499 CD2 HIS E 203 -48.367 -34.647 37.450 1.00 3.66 C +ATOM 500 CE1 HIS E 203 -46.642 -33.917 38.588 1.00 3.62 C +ATOM 501 NE2 HIS E 203 -46.999 -34.532 37.475 1.00 3.61 N +ATOM 502 N ILE E 204 -51.750 -32.414 36.758 1.00 3.61 N +ATOM 503 CA ILE E 204 -51.832 -32.091 35.330 1.00 3.63 C +ATOM 504 C ILE E 204 -52.064 -30.586 35.112 1.00 3.65 C +ATOM 505 O ILE E 204 -51.630 -30.025 34.105 1.00 3.72 O +ATOM 506 CB ILE E 204 -52.935 -32.939 34.619 1.00 3.72 C +ATOM 507 CG1 ILE E 204 -52.433 -33.477 33.274 1.00 3.79 C +ATOM 508 CG2 ILE E 204 -54.235 -32.152 34.466 1.00 3.69 C +ATOM 509 CD1 ILE E 204 -52.075 -32.416 32.273 1.00 3.74 C +ATOM 510 N LEU E 205 -52.740 -29.938 36.059 1.00 3.63 N +ATOM 511 CA LEU E 205 -52.919 -28.482 36.023 1.00 3.67 C +ATOM 512 C LEU E 205 -51.591 -27.745 36.223 1.00 3.70 C +ATOM 513 O LEU E 205 -51.363 -26.696 35.620 1.00 3.75 O +ATOM 514 CB LEU E 205 -53.936 -28.031 37.079 1.00 3.67 C +ATOM 515 CG LEU E 205 -55.404 -28.189 36.676 1.00 3.82 C +ATOM 516 CD1 LEU E 205 -56.318 -28.292 37.898 1.00 3.96 C +ATOM 517 CD2 LEU E 205 -55.829 -27.038 35.778 1.00 3.73 C +ATOM 518 N LYS E 206 -50.725 -28.306 37.067 1.00 3.70 N +ATOM 519 CA LYS E 206 -49.406 -27.738 37.340 1.00 3.70 C +ATOM 520 C LYS E 206 -48.450 -27.950 36.171 1.00 3.75 C +ATOM 521 O LYS E 206 -47.787 -27.014 35.722 1.00 3.70 O +ATOM 522 CB LYS E 206 -48.812 -28.364 38.604 1.00 3.74 C +ATOM 523 CG LYS E 206 -49.581 -28.036 39.878 1.00 3.79 C +ATOM 524 CD LYS E 206 -49.210 -28.971 41.016 1.00 3.62 C +ATOM 525 CE LYS E 206 -49.773 -28.476 42.335 1.00 3.63 C +ATOM 526 NZ LYS E 206 -49.439 -29.378 43.470 1.00 3.50 N +ATOM 527 N VAL E 207 -48.390 -29.186 35.680 1.00 3.84 N +ATOM 528 CA VAL E 207 -47.491 -29.547 34.578 1.00 3.82 C +ATOM 529 C VAL E 207 -47.771 -28.715 33.324 1.00 3.79 C +ATOM 530 O VAL E 207 -46.843 -28.265 32.652 1.00 3.78 O +ATOM 531 CB VAL E 207 -47.596 -31.053 34.230 1.00 3.85 C +ATOM 532 CG1 VAL E 207 -46.786 -31.382 32.981 1.00 3.85 C +ATOM 533 CG2 VAL E 207 -47.131 -31.906 35.401 1.00 3.75 C +ATOM 534 N LEU E 208 -49.050 -28.500 33.024 1.00 3.74 N +ATOM 535 CA LEU E 208 -49.444 -27.691 31.866 1.00 3.76 C +ATOM 536 C LEU E 208 -49.478 -26.181 32.157 1.00 3.79 C +ATOM 537 O LEU E 208 -49.982 -25.399 31.348 1.00 3.77 O +ATOM 538 CB LEU E 208 -50.786 -28.176 31.311 1.00 3.77 C +ATOM 539 CG LEU E 208 -50.786 -29.637 30.843 1.00 3.76 C +ATOM 540 CD1 LEU E 208 -52.116 -30.003 30.210 1.00 3.71 C +ATOM 541 CD2 LEU E 208 -49.645 -29.915 29.871 1.00 3.84 C +ATOM 542 N GLY E 209 -48.940 -25.780 33.308 1.00 3.78 N +ATOM 543 CA GLY E 209 -48.635 -24.376 33.591 1.00 3.71 C +ATOM 544 C GLY E 209 -49.778 -23.475 34.029 1.00 3.70 C +ATOM 545 O GLY E 209 -49.622 -22.255 34.055 1.00 3.63 O +ATOM 546 N ILE E 210 -50.921 -24.055 34.384 1.00 3.68 N +ATOM 547 CA ILE E 210 -52.072 -23.261 34.819 1.00 3.66 C +ATOM 548 C ILE E 210 -51.900 -22.827 36.268 1.00 3.64 C +ATOM 549 O ILE E 210 -52.004 -21.642 36.585 1.00 3.72 O +ATOM 550 CB ILE E 210 -53.402 -24.039 34.665 1.00 3.71 C +ATOM 551 CG1 ILE E 210 -53.608 -24.459 33.206 1.00 3.81 C +ATOM 552 CG2 ILE E 210 -54.578 -23.198 35.143 1.00 3.43 C +ATOM 553 CD1 ILE E 210 -53.451 -23.321 32.203 1.00 3.72 C +ATOM 554 N LEU E 211 -51.631 -23.797 37.138 1.00 3.61 N +ATOM 555 CA LEU E 211 -51.458 -23.550 38.568 1.00 3.58 C +ATOM 556 C LEU E 211 -49.989 -23.648 38.958 1.00 3.55 C +ATOM 557 O LEU E 211 -49.214 -24.333 38.289 1.00 3.57 O +ATOM 558 CB LEU E 211 -52.262 -24.566 39.390 1.00 3.56 C +ATOM 559 CG LEU E 211 -53.787 -24.458 39.367 1.00 3.48 C +ATOM 560 CD1 LEU E 211 -54.404 -25.572 40.202 1.00 3.31 C +ATOM 561 CD2 LEU E 211 -54.248 -23.101 39.871 1.00 3.39 C +ATOM 562 N PRO E 212 -49.599 -22.960 40.045 1.00 3.56 N +ATOM 563 CA PRO E 212 -48.240 -23.096 40.569 1.00 3.59 C +ATOM 564 C PRO E 212 -48.041 -24.452 41.243 1.00 3.59 C +ATOM 565 O PRO E 212 -48.985 -25.003 41.814 1.00 3.57 O +ATOM 566 CB PRO E 212 -48.140 -21.957 41.585 1.00 3.60 C +ATOM 567 CG PRO E 212 -49.536 -21.677 41.991 1.00 3.62 C +ATOM 568 CD PRO E 212 -50.392 -21.980 40.807 1.00 3.54 C +ATOM 569 N PHE E 213 -46.823 -24.978 41.170 1.00 3.57 N +ATOM 570 CA PHE E 213 -46.529 -26.330 41.660 1.00 3.66 C +ATOM 571 C PHE E 213 -46.703 -26.503 43.173 1.00 3.69 C +ATOM 572 O PHE E 213 -46.952 -27.614 43.643 1.00 3.71 O +ATOM 573 CB PHE E 213 -45.117 -26.770 41.246 1.00 3.71 C +ATOM 574 CG PHE E 213 -45.069 -27.517 39.938 1.00 3.76 C +ATOM 575 CD1 PHE E 213 -45.023 -26.834 38.731 1.00 3.62 C +ATOM 576 CD2 PHE E 213 -45.061 -28.907 39.918 1.00 3.88 C +ATOM 577 CE1 PHE E 213 -44.974 -27.522 37.528 1.00 3.81 C +ATOM 578 CE2 PHE E 213 -45.011 -29.603 38.717 1.00 3.89 C +ATOM 579 CZ PHE E 213 -44.969 -28.910 37.521 1.00 3.92 C +ATOM 580 N ASN E 214 -46.573 -25.417 43.932 1.00 3.74 N +ATOM 581 CA ASN E 214 -46.769 -25.474 45.385 1.00 3.80 C +ATOM 582 C ASN E 214 -48.233 -25.600 45.806 1.00 3.77 C +ATOM 583 O ASN E 214 -48.514 -26.035 46.921 1.00 3.85 O +ATOM 584 CB ASN E 214 -46.136 -24.258 46.072 1.00 3.81 C +ATOM 585 CG ASN E 214 -44.617 -24.289 46.031 1.00 3.92 C +ATOM 586 OD1 ASN E 214 -44.015 -25.281 45.616 1.00 4.13 O +ATOM 587 ND2 ASN E 214 -43.989 -23.200 46.470 1.00 3.63 N +ATOM 588 N ALA E 215 -49.153 -25.225 44.919 1.00 3.80 N +ATOM 589 CA ALA E 215 -50.592 -25.284 45.207 1.00 3.80 C +ATOM 590 C ALA E 215 -50.996 -26.635 45.812 1.00 3.83 C +ATOM 591 O ALA E 215 -50.862 -27.669 45.156 1.00 3.74 O +ATOM 592 CB ALA E 215 -51.393 -25.018 43.942 1.00 3.78 C +ATOM 593 N PRO E 216 -51.492 -26.629 47.066 1.00 3.88 N +ATOM 594 CA PRO E 216 -51.814 -27.876 47.768 1.00 3.87 C +ATOM 595 C PRO E 216 -53.076 -28.554 47.250 1.00 3.84 C +ATOM 596 O PRO E 216 -53.180 -29.781 47.286 1.00 3.84 O +ATOM 597 CB PRO E 216 -52.030 -27.414 49.210 1.00 3.87 C +ATOM 598 CG PRO E 216 -52.555 -26.036 49.073 1.00 3.96 C +ATOM 599 CD PRO E 216 -51.860 -25.446 47.867 1.00 3.90 C +ATOM 600 N SER E 217 -54.023 -27.749 46.783 1.00 3.84 N +ATOM 601 CA SER E 217 -55.292 -28.252 46.281 1.00 3.80 C +ATOM 602 C SER E 217 -55.878 -27.269 45.281 1.00 3.83 C +ATOM 603 O SER E 217 -55.341 -26.178 45.082 1.00 3.86 O +ATOM 604 CB SER E 217 -56.265 -28.449 47.440 1.00 3.82 C +ATOM 605 OG SER E 217 -56.569 -27.211 48.058 1.00 3.78 O +ATOM 606 N CYS E 218 -56.983 -27.661 44.658 1.00 3.89 N +ATOM 607 CA CYS E 218 -57.665 -26.806 43.696 1.00 3.99 C +ATOM 608 C CYS E 218 -59.148 -27.154 43.588 1.00 3.86 C +ATOM 609 O CYS E 218 -59.504 -28.318 43.424 1.00 3.79 O +ATOM 610 CB CYS E 218 -57.010 -26.936 42.325 1.00 4.02 C +ATOM 611 SG CYS E 218 -57.758 -25.873 41.081 1.00 4.88 S +ATOM 612 N GLY E 219 -59.999 -26.134 43.675 1.00 3.79 N +ATOM 613 CA GLY E 219 -61.445 -26.315 43.605 1.00 3.82 C +ATOM 614 C GLY E 219 -61.949 -26.430 42.176 1.00 3.83 C +ATOM 615 O GLY E 219 -61.331 -25.905 41.246 1.00 3.94 O +ATOM 616 N LEU E 220 -63.074 -27.119 42.005 1.00 3.71 N +ATOM 617 CA LEU E 220 -63.696 -27.283 40.691 1.00 3.72 C +ATOM 618 C LEU E 220 -65.170 -26.891 40.721 1.00 3.64 C +ATOM 619 O LEU E 220 -65.906 -27.274 41.628 1.00 3.55 O +ATOM 620 CB LEU E 220 -63.565 -28.727 40.191 1.00 3.73 C +ATOM 621 CG LEU E 220 -62.180 -29.186 39.721 1.00 3.81 C +ATOM 622 CD1 LEU E 220 -62.250 -30.610 39.182 1.00 3.42 C +ATOM 623 CD2 LEU E 220 -61.595 -28.244 38.667 1.00 3.82 C +ATOM 624 N ILE E 221 -65.581 -26.135 39.708 1.00 3.58 N +ATOM 625 CA ILE E 221 -66.957 -25.667 39.567 1.00 3.49 C +ATOM 626 C ILE E 221 -67.441 -25.991 38.152 1.00 3.48 C +ATOM 627 O ILE E 221 -66.711 -25.789 37.182 1.00 3.39 O +ATOM 628 CB ILE E 221 -67.053 -24.144 39.859 1.00 3.50 C +ATOM 629 CG1 ILE E 221 -68.493 -23.644 39.749 1.00 3.34 C +ATOM 630 CG2 ILE E 221 -66.131 -23.347 38.933 1.00 3.34 C +ATOM 631 CD1 ILE E 221 -68.657 -22.202 40.180 1.00 3.23 C +ATOM 632 N THR E 222 -68.663 -26.509 38.036 1.00 3.53 N +ATOM 633 CA THR E 222 -69.208 -26.882 36.725 1.00 3.57 C +ATOM 634 C THR E 222 -69.466 -25.640 35.879 1.00 3.55 C +ATOM 635 O THR E 222 -69.656 -24.547 36.414 1.00 3.63 O +ATOM 636 CB THR E 222 -70.523 -27.679 36.838 1.00 3.55 C +ATOM 637 OG1 THR E 222 -71.535 -26.860 37.432 1.00 3.62 O +ATOM 638 CG2 THR E 222 -70.331 -28.937 37.674 1.00 3.65 C +ATOM 639 N LEU E 223 -69.465 -25.807 34.561 1.00 3.50 N +ATOM 640 CA LEU E 223 -69.760 -24.698 33.654 1.00 3.52 C +ATOM 641 C LEU E 223 -71.120 -24.079 33.981 1.00 3.54 C +ATOM 642 O LEU E 223 -71.252 -22.857 34.030 1.00 3.51 O +ATOM 643 CB LEU E 223 -69.736 -25.161 32.193 1.00 3.49 C +ATOM 644 CG LEU E 223 -70.055 -24.098 31.132 1.00 3.39 C +ATOM 645 CD1 LEU E 223 -69.035 -22.967 31.178 1.00 3.07 C +ATOM 646 CD2 LEU E 223 -70.118 -24.720 29.741 1.00 2.92 C +ATOM 647 N THR E 224 -72.118 -24.932 34.212 1.00 3.58 N +ATOM 648 CA THR E 224 -73.477 -24.482 34.527 1.00 3.59 C +ATOM 649 C THR E 224 -73.509 -23.649 35.809 1.00 3.62 C +ATOM 650 O THR E 224 -74.119 -22.582 35.835 1.00 3.53 O +ATOM 651 CB THR E 224 -74.458 -25.673 34.656 1.00 3.60 C +ATOM 652 OG1 THR E 224 -74.465 -26.426 33.436 1.00 3.53 O +ATOM 653 CG2 THR E 224 -75.875 -25.186 34.941 1.00 3.56 C +ATOM 654 N ASP E 225 -72.843 -24.132 36.857 1.00 3.73 N +ATOM 655 CA ASP E 225 -72.768 -23.408 38.132 1.00 3.82 C +ATOM 656 C ASP E 225 -71.970 -22.114 37.996 1.00 3.83 C +ATOM 657 O ASP E 225 -72.342 -21.089 38.568 1.00 3.87 O +ATOM 658 CB ASP E 225 -72.153 -24.284 39.233 1.00 3.91 C +ATOM 659 CG ASP E 225 -73.126 -25.327 39.770 1.00 4.21 C +ATOM 660 OD1 ASP E 225 -74.272 -24.959 40.109 1.00 4.66 O +ATOM 661 OD2 ASP E 225 -72.744 -26.514 39.864 1.00 4.65 O +ATOM 662 N ALA E 226 -70.874 -22.172 37.243 1.00 3.87 N +ATOM 663 CA ALA E 226 -70.047 -20.994 36.971 1.00 3.82 C +ATOM 664 C ALA E 226 -70.844 -19.915 36.236 1.00 3.85 C +ATOM 665 O ALA E 226 -70.664 -18.722 36.489 1.00 3.86 O +ATOM 666 CB ALA E 226 -68.822 -21.387 36.160 1.00 3.81 C +ATOM 667 N GLN E 227 -71.718 -20.344 35.328 1.00 3.80 N +ATOM 668 CA GLN E 227 -72.619 -19.434 34.615 1.00 3.78 C +ATOM 669 C GLN E 227 -73.741 -18.937 35.530 1.00 3.74 C +ATOM 670 O GLN E 227 -74.200 -17.804 35.396 1.00 3.71 O +ATOM 671 CB GLN E 227 -73.194 -20.117 33.366 1.00 3.78 C +ATOM 672 CG GLN E 227 -72.168 -20.283 32.237 1.00 3.82 C +ATOM 673 CD GLN E 227 -72.635 -21.198 31.112 1.00 3.87 C +ATOM 674 OE1 GLN E 227 -73.671 -21.860 31.211 1.00 4.00 O +ATOM 675 NE2 GLN E 227 -71.864 -21.238 30.030 1.00 3.69 N +ATOM 676 N ARG E 228 -74.176 -19.793 36.452 1.00 3.74 N +ATOM 677 CA ARG E 228 -75.146 -19.409 37.481 1.00 3.72 C +ATOM 678 C ARG E 228 -74.550 -18.429 38.488 1.00 3.75 C +ATOM 679 O ARG E 228 -75.279 -17.659 39.116 1.00 3.84 O +ATOM 680 CB ARG E 228 -75.651 -20.633 38.243 1.00 3.74 C +ATOM 681 CG ARG E 228 -76.664 -21.483 37.504 1.00 3.57 C +ATOM 682 CD ARG E 228 -77.047 -22.672 38.361 1.00 3.35 C +ATOM 683 NE ARG E 228 -77.801 -22.251 39.541 1.00 3.17 N +ATOM 684 CZ ARG E 228 -77.791 -22.867 40.722 1.00 3.16 C +ATOM 685 NH1 ARG E 228 -77.053 -23.955 40.930 1.00 3.11 N +ATOM 686 NH2 ARG E 228 -78.526 -22.381 41.715 1.00 3.32 N +ATOM 687 N LEU E 229 -73.233 -18.472 38.658 1.00 3.72 N +ATOM 688 CA LEU E 229 -72.545 -17.543 39.544 1.00 3.64 C +ATOM 689 C LEU E 229 -72.290 -16.212 38.839 1.00 3.66 C +ATOM 690 O LEU E 229 -72.477 -15.148 39.429 1.00 3.71 O +ATOM 691 CB LEU E 229 -71.225 -18.147 40.026 1.00 3.61 C +ATOM 692 CG LEU E 229 -70.435 -17.348 41.067 1.00 3.48 C +ATOM 693 CD1 LEU E 229 -71.298 -16.995 42.268 1.00 3.33 C +ATOM 694 CD2 LEU E 229 -69.206 -18.131 41.499 1.00 3.24 C +ATOM 695 N CYS E 230 -71.872 -16.278 37.578 1.00 3.63 N +ATOM 696 CA CYS E 230 -71.485 -15.082 36.829 1.00 3.66 C +ATOM 697 C CYS E 230 -72.639 -14.101 36.587 1.00 3.65 C +ATOM 698 O CYS E 230 -72.467 -12.900 36.781 1.00 3.67 O +ATOM 699 CB CYS E 230 -70.814 -15.462 35.504 1.00 3.67 C +ATOM 700 SG CYS E 230 -69.094 -16.030 35.690 1.00 3.97 S +ATOM 701 N ASN E 231 -73.804 -14.600 36.176 1.00 3.65 N +ATOM 702 CA ASN E 231 -74.958 -13.720 35.915 1.00 3.62 C +ATOM 703 C ASN E 231 -75.487 -13.096 37.211 1.00 3.60 C +ATOM 704 O ASN E 231 -75.889 -11.933 37.231 1.00 3.57 O +ATOM 705 CB ASN E 231 -76.102 -14.446 35.180 1.00 3.62 C +ATOM 706 CG ASN E 231 -75.633 -15.194 33.943 1.00 3.52 C +ATOM 707 OD1 ASN E 231 -74.928 -14.643 33.099 1.00 3.88 O +ATOM 708 ND2 ASN E 231 -76.028 -16.454 33.830 1.00 3.13 N +ATOM 709 N ALA E 232 -75.482 -13.872 38.291 1.00 3.58 N +ATOM 710 CA ALA E 232 -75.903 -13.363 39.597 1.00 3.59 C +ATOM 711 C ALA E 232 -75.035 -12.180 40.028 1.00 3.63 C +ATOM 712 O ALA E 232 -75.540 -11.203 40.584 1.00 3.65 O +ATOM 713 CB ALA E 232 -75.854 -14.467 40.642 1.00 3.56 C +ATOM 714 N LEU E 233 -73.736 -12.271 39.750 1.00 3.63 N +ATOM 715 CA LEU E 233 -72.776 -11.235 40.131 1.00 3.68 C +ATOM 716 C LEU E 233 -72.733 -10.081 39.128 1.00 3.70 C +ATOM 717 O LEU E 233 -72.890 -8.920 39.507 1.00 3.74 O +ATOM 718 CB LEU E 233 -71.378 -11.841 40.285 1.00 3.67 C +ATOM 719 CG LEU E 233 -71.213 -12.849 41.427 1.00 3.65 C +ATOM 720 CD1 LEU E 233 -69.964 -13.689 41.223 1.00 3.71 C +ATOM 721 CD2 LEU E 233 -71.178 -12.147 42.775 1.00 3.51 C +ATOM 722 N LEU E 234 -72.523 -10.405 37.854 1.00 3.73 N +ATOM 723 CA LEU E 234 -72.321 -9.385 36.814 1.00 3.73 C +ATOM 724 C LEU E 234 -73.611 -8.751 36.269 1.00 3.76 C +ATOM 725 O LEU E 234 -73.539 -7.821 35.464 1.00 3.74 O +ATOM 726 CB LEU E 234 -71.481 -9.945 35.656 1.00 3.75 C +ATOM 727 CG LEU E 234 -69.982 -10.118 35.944 1.00 3.67 C +ATOM 728 CD1 LEU E 234 -69.716 -11.389 36.733 1.00 3.50 C +ATOM 729 CD2 LEU E 234 -69.175 -10.120 34.651 1.00 3.59 C +ATOM 730 N ARG E 235 -74.773 -9.248 36.697 1.00 3.85 N +ATOM 731 CA ARG E 235 -76.065 -8.640 36.340 1.00 3.88 C +ATOM 732 C ARG E 235 -76.884 -8.346 37.602 1.00 3.90 C +ATOM 733 O ARG E 235 -76.478 -8.708 38.707 1.00 3.88 O +ATOM 734 CB ARG E 235 -76.896 -9.550 35.419 1.00 3.91 C +ATOM 735 CG ARG E 235 -76.130 -10.578 34.605 1.00 4.05 C +ATOM 736 CD ARG E 235 -75.445 -10.009 33.390 1.00 4.24 C +ATOM 737 NE ARG E 235 -74.540 -11.010 32.826 1.00 4.50 N +ATOM 738 CZ ARG E 235 -73.525 -10.755 32.003 1.00 4.91 C +ATOM 739 NH1 ARG E 235 -73.251 -9.510 31.612 1.00 4.98 N +ATOM 740 NH2 ARG E 235 -72.769 -11.758 31.569 1.00 5.05 N +ATOM 741 N PRO E 236 -78.042 -7.677 37.439 1.00 3.96 N +ATOM 742 CA PRO E 236 -79.022 -7.575 38.522 1.00 3.97 C +ATOM 743 C PRO E 236 -79.609 -8.937 38.900 1.00 3.96 C +ATOM 744 O PRO E 236 -80.761 -9.021 39.332 1.00 4.00 O +ATOM 745 CB PRO E 236 -80.108 -6.664 37.929 1.00 3.98 C +ATOM 746 CG PRO E 236 -79.417 -5.876 36.887 1.00 3.99 C +ATOM 747 CD PRO E 236 -78.386 -6.794 36.309 1.00 3.97 C Added: SwiftApps/modFTdock/input/indata/3eq5-6.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3eq5-6.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3eq5-6.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,781 @@ +ATOM 1 N SER F 141 0.916 -28.812 -6.607 1.00 4.62 N +ATOM 2 CA SER F 141 -0.539 -28.599 -6.337 1.00 4.68 C +ATOM 3 C SER F 141 -1.285 -29.929 -6.164 1.00 4.56 C +ATOM 4 O SER F 141 -0.727 -31.007 -6.390 1.00 4.49 O +ATOM 5 CB SER F 141 -1.173 -27.783 -7.472 1.00 4.75 C +ATOM 6 OG SER F 141 -0.447 -26.588 -7.713 1.00 5.00 O +ATOM 7 N THR F 142 -2.547 -29.835 -5.755 1.00 4.50 N +ATOM 8 CA THR F 142 -3.410 -31.010 -5.575 1.00 4.43 C +ATOM 9 C THR F 142 -4.833 -30.543 -5.280 1.00 4.31 C +ATOM 10 O THR F 142 -5.307 -30.637 -4.146 1.00 4.46 O +ATOM 11 CB THR F 142 -2.906 -31.941 -4.434 1.00 4.48 C +ATOM 12 OG1 THR F 142 -3.854 -32.995 -4.212 1.00 4.49 O +ATOM 13 CG2 THR F 142 -2.699 -31.158 -3.132 1.00 4.44 C +ATOM 14 N GLU F 143 -5.499 -30.043 -6.317 1.00 4.14 N +ATOM 15 CA GLU F 143 -6.772 -29.319 -6.198 1.00 4.07 C +ATOM 16 C GLU F 143 -6.562 -27.983 -5.482 1.00 3.99 C +ATOM 17 O GLU F 143 -6.657 -26.922 -6.102 1.00 4.01 O +ATOM 18 CB GLU F 143 -7.870 -30.141 -5.496 1.00 4.09 C +ATOM 19 CG GLU F 143 -8.302 -31.393 -6.241 1.00 4.10 C +ATOM 20 CD GLU F 143 -9.512 -32.067 -5.610 1.00 4.12 C +ATOM 21 OE1 GLU F 143 -9.422 -33.273 -5.292 1.00 4.44 O +ATOM 22 OE2 GLU F 143 -10.551 -31.397 -5.430 1.00 3.94 O +ATOM 23 N LEU F 144 -6.266 -28.041 -4.185 1.00 3.89 N +ATOM 24 CA LEU F 144 -6.099 -26.834 -3.379 1.00 3.80 C +ATOM 25 C LEU F 144 -4.788 -26.109 -3.703 1.00 3.75 C +ATOM 26 O LEU F 144 -3.698 -26.650 -3.513 1.00 3.56 O +ATOM 27 CB LEU F 144 -6.161 -27.162 -1.883 1.00 3.74 C +ATOM 28 CG LEU F 144 -6.513 -25.980 -0.978 1.00 3.85 C +ATOM 29 CD1 LEU F 144 -7.966 -25.583 -1.179 1.00 4.05 C +ATOM 30 CD2 LEU F 144 -6.263 -26.309 0.479 1.00 4.01 C +ATOM 31 N THR F 145 -4.924 -24.891 -4.218 1.00 3.75 N +ATOM 32 CA THR F 145 -3.821 -23.950 -4.351 1.00 3.79 C +ATOM 33 C THR F 145 -4.143 -22.746 -3.465 1.00 3.76 C +ATOM 34 O THR F 145 -5.128 -22.764 -2.729 1.00 3.60 O +ATOM 35 CB THR F 145 -3.632 -23.503 -5.822 1.00 3.79 C +ATOM 36 OG1 THR F 145 -4.818 -22.849 -6.289 1.00 3.94 O +ATOM 37 CG2 THR F 145 -3.335 -24.699 -6.714 1.00 4.02 C +ATOM 38 N GLN F 146 -3.309 -21.713 -3.520 1.00 3.82 N +ATOM 39 CA GLN F 146 -3.552 -20.490 -2.759 1.00 3.84 C +ATOM 40 C GLN F 146 -3.312 -19.260 -3.629 1.00 3.71 C +ATOM 41 O GLN F 146 -2.492 -19.287 -4.546 1.00 3.62 O +ATOM 42 CB GLN F 146 -2.666 -20.447 -1.510 1.00 3.97 C +ATOM 43 CG GLN F 146 -2.837 -21.665 -0.588 1.00 4.43 C +ATOM 44 CD GLN F 146 -2.580 -21.359 0.882 1.00 4.82 C +ATOM 45 OE1 GLN F 146 -3.186 -20.453 1.456 1.00 5.56 O +ATOM 46 NE2 GLN F 146 -1.696 -22.130 1.501 1.00 5.08 N +ATOM 47 N THR F 147 -4.056 -18.195 -3.344 1.00 3.53 N +ATOM 48 CA THR F 147 -3.904 -16.917 -4.035 1.00 3.48 C +ATOM 49 C THR F 147 -3.923 -15.804 -2.993 1.00 3.36 C +ATOM 50 O THR F 147 -4.347 -16.020 -1.865 1.00 3.20 O +ATOM 51 CB THR F 147 -5.013 -16.702 -5.098 1.00 3.56 C +ATOM 52 OG1 THR F 147 -4.817 -15.445 -5.763 1.00 3.86 O +ATOM 53 CG2 THR F 147 -6.392 -16.734 -4.464 1.00 3.16 C +ATOM 54 N VAL F 148 -3.431 -14.629 -3.364 1.00 3.40 N +ATOM 55 CA VAL F 148 -3.333 -13.510 -2.434 1.00 3.46 C +ATOM 56 C VAL F 148 -4.479 -12.540 -2.658 1.00 3.64 C +ATOM 57 O VAL F 148 -4.797 -12.190 -3.797 1.00 3.86 O +ATOM 58 CB VAL F 148 -2.000 -12.750 -2.579 1.00 3.54 C +ATOM 59 CG1 VAL F 148 -1.955 -11.572 -1.612 1.00 3.54 C +ATOM 60 CG2 VAL F 148 -0.820 -13.687 -2.337 1.00 3.11 C +ATOM 61 N LEU F 149 -5.091 -12.120 -1.555 1.00 3.64 N +ATOM 62 CA LEU F 149 -6.185 -11.166 -1.562 1.00 3.61 C +ATOM 63 C LEU F 149 -6.002 -10.234 -0.371 1.00 3.69 C +ATOM 64 O LEU F 149 -5.934 -10.692 0.772 1.00 3.54 O +ATOM 65 CB LEU F 149 -7.515 -11.905 -1.440 1.00 3.67 C +ATOM 66 CG LEU F 149 -8.788 -11.066 -1.470 1.00 3.42 C +ATOM 67 CD1 LEU F 149 -8.959 -10.403 -2.837 1.00 3.37 C +ATOM 68 CD2 LEU F 149 -9.981 -11.945 -1.132 1.00 3.04 C +ATOM 69 N GLU F 150 -5.900 -8.936 -0.644 1.00 3.74 N +ATOM 70 CA GLU F 150 -5.721 -7.926 0.405 1.00 3.83 C +ATOM 71 C GLU F 150 -4.602 -8.302 1.375 1.00 3.77 C +ATOM 72 O GLU F 150 -4.791 -8.284 2.594 1.00 3.90 O +ATOM 73 CB GLU F 150 -7.029 -7.711 1.171 1.00 3.70 C +ATOM 74 CG GLU F 150 -8.165 -7.218 0.304 1.00 4.04 C +ATOM 75 CD GLU F 150 -7.968 -5.801 -0.198 1.00 4.37 C +ATOM 76 OE1 GLU F 150 -7.283 -5.001 0.473 1.00 4.56 O +ATOM 77 OE2 GLU F 150 -8.517 -5.483 -1.271 1.00 5.16 O +ATOM 78 N GLY F 151 -3.448 -8.655 0.821 1.00 3.68 N +ATOM 79 CA GLY F 151 -2.278 -9.024 1.617 1.00 3.68 C +ATOM 80 C GLY F 151 -2.418 -10.328 2.383 1.00 3.64 C +ATOM 81 O GLY F 151 -1.657 -10.588 3.313 1.00 3.84 O +ATOM 82 N GLU F 152 -3.365 -11.165 1.976 1.00 3.60 N +ATOM 83 CA GLU F 152 -3.732 -12.344 2.749 1.00 3.62 C +ATOM 84 C GLU F 152 -3.912 -13.554 1.834 1.00 3.57 C +ATOM 85 O GLU F 152 -4.601 -13.475 0.818 1.00 3.52 O +ATOM 86 CB GLU F 152 -5.022 -12.061 3.524 1.00 3.60 C +ATOM 87 CG GLU F 152 -5.007 -12.547 4.958 1.00 3.90 C +ATOM 88 CD GLU F 152 -4.091 -11.740 5.862 1.00 4.16 C +ATOM 89 OE1 GLU F 152 -3.334 -12.358 6.638 1.00 3.94 O +ATOM 90 OE2 GLU F 152 -4.130 -10.491 5.805 1.00 4.76 O +ATOM 91 N SER F 153 -3.285 -14.666 2.205 1.00 3.62 N +ATOM 92 CA SER F 153 -3.308 -15.889 1.407 1.00 3.57 C +ATOM 93 C SER F 153 -4.571 -16.698 1.681 1.00 3.52 C +ATOM 94 O SER F 153 -4.750 -17.206 2.787 1.00 3.48 O +ATOM 95 CB SER F 153 -2.081 -16.744 1.728 1.00 3.52 C +ATOM 96 OG SER F 153 -2.118 -17.975 1.027 1.00 3.57 O +ATOM 97 N ILE F 154 -5.429 -16.818 0.670 1.00 3.58 N +ATOM 98 CA ILE F 154 -6.692 -17.558 0.779 1.00 3.58 C +ATOM 99 C ILE F 154 -6.648 -18.821 -0.078 1.00 3.55 C +ATOM 100 O ILE F 154 -6.222 -18.782 -1.228 1.00 3.47 O +ATOM 101 CB ILE F 154 -7.897 -16.690 0.339 1.00 3.64 C +ATOM 102 CG1 ILE F 154 -8.271 -15.686 1.432 1.00 3.78 C +ATOM 103 CG2 ILE F 154 -9.117 -17.556 0.046 1.00 3.50 C +ATOM 104 CD1 ILE F 154 -7.252 -14.614 1.663 1.00 3.88 C +ATOM 105 N SER F 155 -7.101 -19.935 0.489 1.00 3.62 N +ATOM 106 CA SER F 155 -7.171 -21.205 -0.232 1.00 3.71 C +ATOM 107 C SER F 155 -8.169 -21.118 -1.378 1.00 3.68 C +ATOM 108 O SER F 155 -9.182 -20.422 -1.270 1.00 3.71 O +ATOM 109 CB SER F 155 -7.589 -22.332 0.713 1.00 3.77 C +ATOM 110 OG SER F 155 -6.674 -22.459 1.787 1.00 4.26 O +ATOM 111 N CYS F 156 -7.891 -21.826 -2.470 1.00 3.59 N +ATOM 112 CA CYS F 156 -8.794 -21.812 -3.619 1.00 3.68 C +ATOM 113 C CYS F 156 -8.672 -23.047 -4.504 1.00 3.51 C +ATOM 114 O CYS F 156 -7.658 -23.744 -4.485 1.00 3.46 O +ATOM 115 CB CYS F 156 -8.575 -20.547 -4.451 1.00 3.66 C +ATOM 116 SG CYS F 156 -6.925 -20.385 -5.128 1.00 4.43 S +ATOM 117 N PHE F 157 -9.733 -23.299 -5.269 1.00 3.45 N +ATOM 118 CA PHE F 157 -9.792 -24.402 -6.223 1.00 3.51 C +ATOM 119 C PHE F 157 -9.948 -23.855 -7.640 1.00 3.59 C +ATOM 120 O PHE F 157 -10.586 -22.819 -7.842 1.00 3.59 O +ATOM 121 CB PHE F 157 -10.990 -25.303 -5.930 1.00 3.50 C +ATOM 122 CG PHE F 157 -10.983 -25.916 -4.559 1.00 3.42 C +ATOM 123 CD1 PHE F 157 -11.845 -25.451 -3.571 1.00 3.16 C +ATOM 124 CD2 PHE F 157 -10.138 -26.978 -4.262 1.00 3.21 C +ATOM 125 CE1 PHE F 157 -11.853 -26.024 -2.308 1.00 2.86 C +ATOM 126 CE2 PHE F 157 -10.141 -27.556 -2.999 1.00 3.11 C +ATOM 127 CZ PHE F 157 -11.003 -27.075 -2.022 1.00 3.03 C +ATOM 128 N GLN F 158 -9.381 -24.561 -8.616 1.00 3.61 N +ATOM 129 CA GLN F 158 -9.570 -24.215 -10.023 1.00 3.75 C +ATOM 130 C GLN F 158 -10.840 -24.882 -10.553 1.00 3.77 C +ATOM 131 O GLN F 158 -10.917 -26.106 -10.643 1.00 3.77 O +ATOM 132 CB GLN F 158 -8.360 -24.640 -10.858 1.00 3.86 C +ATOM 133 CG GLN F 158 -8.391 -24.139 -12.313 1.00 4.26 C +ATOM 134 CD GLN F 158 -8.115 -22.647 -12.467 1.00 4.84 C +ATOM 135 OE1 GLN F 158 -8.316 -22.083 -13.545 1.00 5.22 O +ATOM 136 NE2 GLN F 158 -7.651 -22.004 -11.398 1.00 5.25 N +ATOM 137 N VAL F 159 -11.826 -24.060 -10.901 1.00 3.87 N +ATOM 138 CA VAL F 159 -13.129 -24.532 -11.362 1.00 3.93 C +ATOM 139 C VAL F 159 -13.519 -23.774 -12.624 1.00 3.93 C +ATOM 140 O VAL F 159 -13.598 -22.546 -12.616 1.00 3.94 O +ATOM 141 CB VAL F 159 -14.222 -24.296 -10.295 1.00 3.98 C +ATOM 142 CG1 VAL F 159 -15.552 -24.903 -10.737 1.00 4.02 C +ATOM 143 CG2 VAL F 159 -13.791 -24.862 -8.949 1.00 4.00 C +ATOM 144 N GLY F 160 -13.757 -24.510 -13.705 1.00 4.02 N +ATOM 145 CA GLY F 160 -14.134 -23.912 -14.990 1.00 4.10 C +ATOM 146 C GLY F 160 -13.187 -22.824 -15.472 1.00 4.13 C +ATOM 147 O GLY F 160 -13.623 -21.824 -16.050 1.00 4.19 O +ATOM 148 N GLY F 161 -11.891 -23.017 -15.231 1.00 4.10 N +ATOM 149 CA GLY F 161 -10.875 -22.028 -15.594 1.00 4.10 C +ATOM 150 C GLY F 161 -10.899 -20.744 -14.773 1.00 4.12 C +ATOM 151 O GLY F 161 -10.507 -19.683 -15.256 1.00 4.18 O +ATOM 152 N GLU F 162 -11.360 -20.819 -13.558 1.00 4.07 N +ATOM 153 CA GLU F 162 -11.371 -19.715 -12.603 1.00 4.08 C +ATOM 154 C GLU F 162 -10.944 -20.207 -11.225 1.00 4.01 C +ATOM 155 O GLU F 162 -11.347 -21.296 -10.801 1.00 3.90 O +ATOM 156 CB GLU F 162 -12.767 -19.095 -12.519 1.00 4.16 C +ATOM 157 CG GLU F 162 -13.187 -18.329 -13.769 1.00 4.45 C +ATOM 158 CD GLU F 162 -14.610 -17.797 -13.687 1.00 4.86 C +ATOM 159 OE1 GLU F 162 -15.347 -18.188 -12.758 1.00 4.94 O +ATOM 160 OE2 GLU F 162 -14.993 -16.989 -14.559 1.00 5.24 O +ATOM 161 N LYS F 163 -10.117 -19.387 -10.543 1.00 4.01 N +ATOM 162 CA LYS F 163 -9.731 -19.647 -9.155 1.00 4.01 C +ATOM 163 C LYS F 163 -10.907 -19.295 -8.249 1.00 3.95 C +ATOM 164 O LYS F 163 -11.341 -18.145 -8.195 1.00 3.95 O +ATOM 165 CB LYS F 163 -8.495 -18.831 -8.749 1.00 3.99 C +ATOM 166 CG LYS F 163 -7.214 -19.169 -9.530 1.00 4.24 C +ATOM 167 CD LYS F 163 -6.041 -18.284 -9.102 1.00 4.22 C +ATOM 168 CE LYS F 163 -4.833 -18.429 -10.026 1.00 4.50 C +ATOM 169 NZ LYS F 163 -4.139 -19.744 -9.887 1.00 4.62 N +ATOM 170 N ARG F 164 -11.417 -20.299 -7.545 1.00 3.92 N +ATOM 171 CA ARG F 164 -12.567 -20.138 -6.662 1.00 3.92 C +ATOM 172 C ARG F 164 -12.104 -20.120 -5.204 1.00 3.86 C +ATOM 173 O ARG F 164 -11.734 -21.152 -4.652 1.00 3.87 O +ATOM 174 CB ARG F 164 -13.562 -21.279 -6.894 1.00 3.93 C +ATOM 175 CG ARG F 164 -14.345 -21.182 -8.201 1.00 4.01 C +ATOM 176 CD ARG F 164 -15.570 -20.281 -8.071 1.00 4.32 C +ATOM 177 NE ARG F 164 -16.348 -20.215 -9.312 1.00 4.46 N +ATOM 178 CZ ARG F 164 -17.490 -19.542 -9.459 1.00 4.69 C +ATOM 179 NH1 ARG F 164 -18.109 -19.548 -10.632 1.00 4.84 N +ATOM 180 NH2 ARG F 164 -18.022 -18.863 -8.441 1.00 4.63 N +ATOM 181 N LEU F 165 -12.137 -18.940 -4.590 1.00 3.80 N +ATOM 182 CA LEU F 165 -11.628 -18.750 -3.231 1.00 3.71 C +ATOM 183 C LEU F 165 -12.621 -19.233 -2.174 1.00 3.74 C +ATOM 184 O LEU F 165 -13.830 -19.185 -2.377 1.00 3.84 O +ATOM 185 CB LEU F 165 -11.284 -17.277 -2.987 1.00 3.64 C +ATOM 186 CG LEU F 165 -10.037 -16.738 -3.696 1.00 3.37 C +ATOM 187 CD1 LEU F 165 -10.231 -16.617 -5.204 1.00 2.89 C +ATOM 188 CD2 LEU F 165 -9.666 -15.395 -3.110 1.00 3.35 C +ATOM 189 N CYS F 166 -12.092 -19.697 -1.047 1.00 3.84 N +ATOM 190 CA CYS F 166 -12.903 -20.170 0.069 1.00 4.05 C +ATOM 191 C CYS F 166 -13.552 -18.966 0.750 1.00 4.11 C +ATOM 192 O CYS F 166 -12.847 -18.112 1.291 1.00 4.22 O +ATOM 193 CB CYS F 166 -12.027 -20.933 1.066 1.00 4.03 C +ATOM 194 SG CYS F 166 -12.907 -21.541 2.523 1.00 4.84 S +ATOM 195 N LEU F 167 -14.884 -18.894 0.715 1.00 4.04 N +ATOM 196 CA LEU F 167 -15.590 -17.693 1.177 1.00 4.08 C +ATOM 197 C LEU F 167 -15.489 -17.490 2.690 1.00 4.09 C +ATOM 198 O LEU F 167 -15.199 -16.379 3.136 1.00 4.06 O +ATOM 199 CB LEU F 167 -17.059 -17.682 0.726 1.00 4.08 C +ATOM 200 CG LEU F 167 -17.799 -16.350 0.930 1.00 4.36 C +ATOM 201 CD1 LEU F 167 -17.102 -15.221 0.163 1.00 4.42 C +ATOM 202 CD2 LEU F 167 -19.265 -16.452 0.524 1.00 3.73 C +ATOM 203 N PRO F 168 -15.731 -18.550 3.489 1.00 4.09 N +ATOM 204 CA PRO F 168 -15.554 -18.378 4.935 1.00 4.03 C +ATOM 205 C PRO F 168 -14.140 -17.944 5.341 1.00 4.06 C +ATOM 206 O PRO F 168 -13.989 -17.247 6.348 1.00 4.11 O +ATOM 207 CB PRO F 168 -15.886 -19.764 5.500 1.00 3.97 C +ATOM 208 CG PRO F 168 -16.806 -20.363 4.500 1.00 3.98 C +ATOM 209 CD PRO F 168 -16.316 -19.867 3.169 1.00 4.06 C +ATOM 210 N GLN F 169 -13.124 -18.342 4.572 1.00 3.91 N +ATOM 211 CA GLN F 169 -11.753 -17.911 4.840 1.00 3.87 C +ATOM 212 C GLN F 169 -11.596 -16.424 4.512 1.00 3.87 C +ATOM 213 O GLN F 169 -10.986 -15.672 5.281 1.00 3.82 O +ATOM 214 CB GLN F 169 -10.730 -18.750 4.050 1.00 3.94 C +ATOM 215 CG GLN F 169 -9.269 -18.469 4.442 1.00 4.03 C +ATOM 216 CD GLN F 169 -8.266 -19.488 3.893 1.00 4.60 C +ATOM 217 OE1 GLN F 169 -8.445 -20.043 2.807 1.00 4.83 O +ATOM 218 NE2 GLN F 169 -7.190 -19.717 4.643 1.00 4.16 N +ATOM 219 N VAL F 170 -12.143 -16.010 3.369 1.00 3.84 N +ATOM 220 CA VAL F 170 -12.093 -14.608 2.947 1.00 3.82 C +ATOM 221 C VAL F 170 -12.678 -13.718 4.031 1.00 3.82 C +ATOM 222 O VAL F 170 -12.108 -12.679 4.372 1.00 3.70 O +ATOM 223 CB VAL F 170 -12.894 -14.363 1.654 1.00 3.84 C +ATOM 224 CG1 VAL F 170 -12.912 -12.876 1.308 1.00 3.86 C +ATOM 225 CG2 VAL F 170 -12.320 -15.168 0.505 1.00 3.93 C +ATOM 226 N LEU F 171 -13.821 -14.154 4.559 1.00 3.93 N +ATOM 227 CA LEU F 171 -14.545 -13.465 5.630 1.00 3.84 C +ATOM 228 C LEU F 171 -13.717 -13.328 6.910 1.00 3.81 C +ATOM 229 O LEU F 171 -13.665 -12.255 7.503 1.00 3.72 O +ATOM 230 CB LEU F 171 -15.834 -14.231 5.940 1.00 3.89 C +ATOM 231 CG LEU F 171 -16.897 -13.516 6.776 1.00 4.17 C +ATOM 232 CD1 LEU F 171 -17.647 -12.500 5.921 1.00 4.08 C +ATOM 233 CD2 LEU F 171 -17.867 -14.526 7.376 1.00 4.49 C +ATOM 234 N ASN F 172 -13.079 -14.418 7.331 1.00 3.91 N +ATOM 235 CA ASN F 172 -12.296 -14.442 8.575 1.00 4.14 C +ATOM 236 C ASN F 172 -10.922 -13.772 8.460 1.00 4.22 C +ATOM 237 O ASN F 172 -10.334 -13.371 9.469 1.00 4.29 O +ATOM 238 CB ASN F 172 -12.091 -15.884 9.055 1.00 4.26 C +ATOM 239 CG ASN F 172 -13.400 -16.600 9.374 1.00 5.18 C +ATOM 240 OD1 ASN F 172 -14.376 -15.995 9.841 1.00 5.63 O +ATOM 241 ND2 ASN F 172 -13.420 -17.910 9.128 1.00 6.18 N +ATOM 242 N SER F 173 -10.403 -13.669 7.241 1.00 4.19 N +ATOM 243 CA SER F 173 -9.062 -13.142 7.022 1.00 4.23 C +ATOM 244 C SER F 173 -9.057 -11.680 6.580 1.00 4.11 C +ATOM 245 O SER F 173 -8.285 -10.874 7.106 1.00 4.22 O +ATOM 246 CB SER F 173 -8.333 -14.005 5.997 1.00 4.32 C +ATOM 247 OG SER F 173 -8.167 -15.324 6.487 1.00 4.93 O +ATOM 248 N VAL F 174 -9.919 -11.343 5.626 1.00 3.99 N +ATOM 249 CA VAL F 174 -9.919 -10.015 5.010 1.00 3.94 C +ATOM 250 C VAL F 174 -11.120 -9.143 5.403 1.00 3.97 C +ATOM 251 O VAL F 174 -10.959 -7.950 5.642 1.00 4.07 O +ATOM 252 CB VAL F 174 -9.861 -10.135 3.473 1.00 4.03 C +ATOM 253 CG1 VAL F 174 -9.910 -8.758 2.818 1.00 4.00 C +ATOM 254 CG2 VAL F 174 -8.609 -10.884 3.057 1.00 3.52 C +ATOM 255 N LEU F 175 -12.312 -9.735 5.460 1.00 3.98 N +ATOM 256 CA LEU F 175 -13.549 -8.989 5.724 1.00 3.91 C +ATOM 257 C LEU F 175 -14.034 -9.203 7.164 1.00 3.97 C +ATOM 258 O LEU F 175 -15.203 -9.499 7.410 1.00 3.80 O +ATOM 259 CB LEU F 175 -14.626 -9.392 4.711 1.00 3.89 C +ATOM 260 CG LEU F 175 -14.248 -9.175 3.240 1.00 3.65 C +ATOM 261 CD1 LEU F 175 -15.343 -9.685 2.309 1.00 3.20 C +ATOM 262 CD2 LEU F 175 -13.959 -7.706 2.971 1.00 3.40 C +ATOM 263 N ARG F 176 -13.110 -9.014 8.104 1.00 4.15 N +ATOM 264 CA ARG F 176 -13.313 -9.315 9.534 1.00 4.09 C +ATOM 265 C ARG F 176 -14.394 -8.487 10.216 1.00 4.09 C +ATOM 266 O ARG F 176 -14.944 -8.910 11.233 1.00 4.18 O +ATOM 267 CB ARG F 176 -11.994 -9.120 10.308 1.00 4.18 C +ATOM 268 CG ARG F 176 -11.264 -10.414 10.705 1.00 4.33 C +ATOM 269 CD ARG F 176 -9.787 -10.397 10.295 1.00 3.98 C +ATOM 270 NE ARG F 176 -9.076 -9.195 10.735 1.00 3.77 N +ATOM 271 CZ ARG F 176 -7.936 -8.749 10.203 1.00 3.87 C +ATOM 272 NH1 ARG F 176 -7.346 -9.399 9.201 1.00 4.13 N +ATOM 273 NH2 ARG F 176 -7.373 -7.642 10.675 1.00 3.61 N +ATOM 274 N GLU F 177 -14.684 -7.307 9.676 1.00 4.07 N +ATOM 275 CA GLU F 177 -15.666 -6.404 10.289 1.00 4.06 C +ATOM 276 C GLU F 177 -17.111 -6.848 10.028 1.00 3.87 C +ATOM 277 O GLU F 177 -18.033 -6.384 10.698 1.00 3.78 O +ATOM 278 CB GLU F 177 -15.475 -4.971 9.777 1.00 4.18 C +ATOM 279 CG GLU F 177 -14.050 -4.419 9.889 1.00 4.83 C +ATOM 280 CD GLU F 177 -13.518 -4.399 11.315 1.00 6.05 C +ATOM 281 OE1 GLU F 177 -12.319 -4.730 11.505 1.00 6.39 O +ATOM 282 OE2 GLU F 177 -14.293 -4.052 12.243 1.00 6.09 O +ATOM 283 N PHE F 178 -17.295 -7.750 9.066 1.00 3.76 N +ATOM 284 CA PHE F 178 -18.621 -8.128 8.585 1.00 3.76 C +ATOM 285 C PHE F 178 -18.981 -9.571 8.893 1.00 3.69 C +ATOM 286 O PHE F 178 -18.123 -10.386 9.215 1.00 3.81 O +ATOM 287 CB PHE F 178 -18.691 -7.918 7.075 1.00 3.70 C +ATOM 288 CG PHE F 178 -18.243 -6.558 6.640 1.00 3.75 C +ATOM 289 CD1 PHE F 178 -19.118 -5.479 6.680 1.00 3.85 C +ATOM 290 CD2 PHE F 178 -16.941 -6.350 6.209 1.00 3.42 C +ATOM 291 CE1 PHE F 178 -18.699 -4.215 6.287 1.00 3.87 C +ATOM 292 CE2 PHE F 178 -16.515 -5.091 5.813 1.00 3.39 C +ATOM 293 CZ PHE F 178 -17.390 -4.024 5.851 1.00 3.57 C +ATOM 294 N THR F 179 -20.267 -9.870 8.773 1.00 3.70 N +ATOM 295 CA THR F 179 -20.783 -11.225 8.936 1.00 3.64 C +ATOM 296 C THR F 179 -20.993 -11.880 7.575 1.00 3.76 C +ATOM 297 O THR F 179 -20.946 -11.215 6.537 1.00 3.68 O +ATOM 298 CB THR F 179 -22.143 -11.215 9.635 1.00 3.52 C +ATOM 299 OG1 THR F 179 -23.105 -10.608 8.767 1.00 3.20 O +ATOM 300 CG2 THR F 179 -22.072 -10.445 10.943 1.00 3.21 C +ATOM 301 N LEU F 180 -21.262 -13.182 7.597 1.00 3.80 N +ATOM 302 CA LEU F 180 -21.563 -13.932 6.380 1.00 3.74 C +ATOM 303 C LEU F 180 -22.863 -13.430 5.731 1.00 3.77 C +ATOM 304 O LEU F 180 -22.926 -13.264 4.515 1.00 3.80 O +ATOM 305 CB LEU F 180 -21.647 -15.431 6.690 1.00 3.69 C +ATOM 306 CG LEU F 180 -21.607 -16.406 5.510 1.00 3.58 C +ATOM 307 CD1 LEU F 180 -20.365 -16.194 4.652 1.00 3.05 C +ATOM 308 CD2 LEU F 180 -21.668 -17.839 6.018 1.00 3.10 C +ATOM 309 N GLN F 181 -23.883 -13.174 6.547 1.00 3.80 N +ATOM 310 CA GLN F 181 -25.159 -12.632 6.058 1.00 3.94 C +ATOM 311 C GLN F 181 -24.943 -11.342 5.261 1.00 3.83 C +ATOM 312 O GLN F 181 -25.398 -11.220 4.122 1.00 3.80 O +ATOM 313 CB GLN F 181 -26.112 -12.371 7.233 1.00 4.07 C +ATOM 314 CG GLN F 181 -27.420 -11.678 6.861 1.00 4.74 C +ATOM 315 CD GLN F 181 -28.247 -11.275 8.079 1.00 6.00 C +ATOM 316 OE1 GLN F 181 -28.952 -10.259 8.060 1.00 6.66 O +ATOM 317 NE2 GLN F 181 -28.166 -12.073 9.145 1.00 6.40 N +ATOM 318 N GLN F 182 -24.249 -10.388 5.872 1.00 3.72 N +ATOM 319 CA GLN F 182 -23.908 -9.131 5.211 1.00 3.73 C +ATOM 320 C GLN F 182 -23.162 -9.365 3.891 1.00 3.79 C +ATOM 321 O GLN F 182 -23.529 -8.794 2.859 1.00 3.95 O +ATOM 322 CB GLN F 182 -23.074 -8.244 6.144 1.00 3.71 C +ATOM 323 CG GLN F 182 -23.868 -7.677 7.319 1.00 3.51 C +ATOM 324 CD GLN F 182 -23.021 -6.856 8.271 1.00 3.35 C +ATOM 325 OE1 GLN F 182 -21.844 -7.143 8.480 1.00 4.01 O +ATOM 326 NE2 GLN F 182 -23.621 -5.828 8.861 1.00 2.60 N +ATOM 327 N ILE F 183 -22.134 -10.211 3.925 1.00 3.63 N +ATOM 328 CA ILE F 183 -21.378 -10.553 2.714 1.00 3.70 C +ATOM 329 C ILE F 183 -22.269 -11.172 1.631 1.00 3.71 C +ATOM 330 O ILE F 183 -22.109 -10.859 0.449 1.00 3.83 O +ATOM 331 CB ILE F 183 -20.163 -11.491 3.014 1.00 3.66 C +ATOM 332 CG1 ILE F 183 -18.883 -10.676 3.193 1.00 3.71 C +ATOM 333 CG2 ILE F 183 -19.913 -12.461 1.877 1.00 3.48 C +ATOM 334 CD1 ILE F 183 -18.954 -9.640 4.273 1.00 3.36 C +ATOM 335 N ASN F 184 -23.192 -12.044 2.033 1.00 3.69 N +ATOM 336 CA ASN F 184 -24.121 -12.677 1.089 1.00 3.80 C +ATOM 337 C ASN F 184 -25.043 -11.665 0.397 1.00 3.85 C +ATOM 338 O ASN F 184 -25.257 -11.745 -0.817 1.00 3.89 O +ATOM 339 CB ASN F 184 -24.973 -13.750 1.785 1.00 3.81 C +ATOM 340 CG ASN F 184 -24.190 -15.015 2.111 1.00 3.88 C +ATOM 341 OD1 ASN F 184 -23.269 -15.401 1.397 1.00 4.65 O +ATOM 342 ND2 ASN F 184 -24.571 -15.674 3.195 1.00 4.56 N +ATOM 343 N THR F 185 -25.579 -10.719 1.166 1.00 3.84 N +ATOM 344 CA THR F 185 -26.475 -9.699 0.615 1.00 3.89 C +ATOM 345 C THR F 185 -25.717 -8.693 -0.261 1.00 3.85 C +ATOM 346 O THR F 185 -26.258 -8.204 -1.249 1.00 3.89 O +ATOM 347 CB THR F 185 -27.247 -8.937 1.716 1.00 3.88 C +ATOM 348 OG1 THR F 185 -26.323 -8.213 2.532 1.00 4.31 O +ATOM 349 CG2 THR F 185 -28.058 -9.901 2.585 1.00 3.74 C +ATOM 350 N VAL F 186 -24.474 -8.382 0.097 1.00 3.73 N +ATOM 351 CA VAL F 186 -23.645 -7.520 -0.743 1.00 3.71 C +ATOM 352 C VAL F 186 -23.345 -8.219 -2.076 1.00 3.86 C +ATOM 353 O VAL F 186 -23.418 -7.596 -3.140 1.00 3.94 O +ATOM 354 CB VAL F 186 -22.336 -7.123 -0.034 1.00 3.80 C +ATOM 355 CG1 VAL F 186 -21.370 -6.443 -1.002 1.00 3.30 C +ATOM 356 CG2 VAL F 186 -22.644 -6.216 1.147 1.00 3.54 C +ATOM 357 N CYS F 187 -23.028 -9.513 -2.012 1.00 3.89 N +ATOM 358 CA CYS F 187 -22.870 -10.336 -3.221 1.00 3.89 C +ATOM 359 C CYS F 187 -24.154 -10.336 -4.066 1.00 3.75 C +ATOM 360 O CYS F 187 -24.092 -10.361 -5.295 1.00 3.68 O +ATOM 361 CB CYS F 187 -22.467 -11.781 -2.870 1.00 3.91 C +ATOM 362 SG CYS F 187 -20.718 -12.027 -2.405 1.00 4.24 S +ATOM 363 N ASP F 188 -25.308 -10.314 -3.404 1.00 3.65 N +ATOM 364 CA ASP F 188 -26.592 -10.207 -4.098 1.00 3.58 C +ATOM 365 C ASP F 188 -26.676 -8.880 -4.867 1.00 3.52 C +ATOM 366 O ASP F 188 -27.061 -8.857 -6.035 1.00 3.43 O +ATOM 367 CB ASP F 188 -27.745 -10.327 -3.097 1.00 3.68 C +ATOM 368 CG ASP F 188 -29.104 -10.421 -3.765 1.00 3.62 C +ATOM 369 OD1 ASP F 188 -29.995 -9.640 -3.390 1.00 3.76 O +ATOM 370 OD2 ASP F 188 -29.289 -11.272 -4.657 1.00 4.25 O +ATOM 371 N GLU F 189 -26.285 -7.790 -4.209 1.00 3.45 N +ATOM 372 CA GLU F 189 -26.267 -6.453 -4.817 1.00 3.34 C +ATOM 373 C GLU F 189 -25.286 -6.353 -5.985 1.00 3.23 C +ATOM 374 O GLU F 189 -25.578 -5.740 -7.009 1.00 3.09 O +ATOM 375 CB GLU F 189 -25.875 -5.399 -3.776 1.00 3.35 C +ATOM 376 CG GLU F 189 -26.853 -5.231 -2.619 1.00 3.13 C +ATOM 377 CD GLU F 189 -26.220 -4.584 -1.393 1.00 2.63 C +ATOM 378 OE1 GLU F 189 -25.132 -3.986 -1.509 1.00 2.38 O +ATOM 379 OE2 GLU F 189 -26.821 -4.673 -0.306 1.00 2.57 O +ATOM 380 N LEU F 190 -24.112 -6.952 -5.816 1.00 3.24 N +ATOM 381 CA LEU F 190 -23.052 -6.871 -6.825 1.00 3.15 C +ATOM 382 C LEU F 190 -23.240 -7.842 -7.997 1.00 3.11 C +ATOM 383 O LEU F 190 -22.415 -7.870 -8.906 1.00 3.04 O +ATOM 384 CB LEU F 190 -21.688 -7.108 -6.171 1.00 3.07 C +ATOM 385 CG LEU F 190 -21.239 -6.068 -5.144 1.00 2.87 C +ATOM 386 CD1 LEU F 190 -19.994 -6.547 -4.418 1.00 2.71 C +ATOM 387 CD2 LEU F 190 -20.989 -4.725 -5.797 1.00 2.46 C +ATOM 388 N TYR F 191 -24.323 -8.620 -7.979 1.00 3.18 N +ATOM 389 CA TYR F 191 -24.577 -9.652 -8.991 1.00 3.17 C +ATOM 390 C TYR F 191 -23.454 -10.698 -8.990 1.00 3.17 C +ATOM 391 O TYR F 191 -23.036 -11.187 -10.040 1.00 3.11 O +ATOM 392 CB TYR F 191 -24.765 -9.028 -10.384 1.00 3.12 C +ATOM 393 CG TYR F 191 -25.452 -9.931 -11.389 1.00 2.95 C +ATOM 394 CD1 TYR F 191 -24.759 -10.443 -12.483 1.00 2.84 C +ATOM 395 CD2 TYR F 191 -26.795 -10.273 -11.246 1.00 3.01 C +ATOM 396 CE1 TYR F 191 -25.382 -11.271 -13.408 1.00 2.64 C +ATOM 397 CE2 TYR F 191 -27.428 -11.100 -12.167 1.00 2.88 C +ATOM 398 CZ TYR F 191 -26.715 -11.595 -13.245 1.00 2.70 C +ATOM 399 OH TYR F 191 -27.334 -12.413 -14.163 1.00 2.37 O +ATOM 400 N ILE F 192 -22.973 -11.025 -7.793 1.00 3.22 N +ATOM 401 CA ILE F 192 -21.954 -12.054 -7.612 1.00 3.28 C +ATOM 402 C ILE F 192 -22.618 -13.371 -7.234 1.00 3.35 C +ATOM 403 O ILE F 192 -23.428 -13.423 -6.306 1.00 3.37 O +ATOM 404 CB ILE F 192 -20.948 -11.674 -6.516 1.00 3.26 C +ATOM 405 CG1 ILE F 192 -20.120 -10.466 -6.954 1.00 3.19 C +ATOM 406 CG2 ILE F 192 -20.033 -12.851 -6.201 1.00 3.09 C +ATOM 407 CD1 ILE F 192 -19.182 -9.951 -5.887 1.00 2.86 C +ATOM 408 N TYR F 193 -22.271 -14.428 -7.963 1.00 3.44 N +ATOM 409 CA TYR F 193 -22.785 -15.764 -7.697 1.00 3.51 C +ATOM 410 C TYR F 193 -21.686 -16.606 -7.067 1.00 3.54 C +ATOM 411 O TYR F 193 -20.617 -16.772 -7.650 1.00 3.34 O +ATOM 412 CB TYR F 193 -23.271 -16.431 -8.988 1.00 3.51 C +ATOM 413 CG TYR F 193 -23.601 -17.902 -8.825 1.00 3.50 C +ATOM 414 CD1 TYR F 193 -22.694 -18.889 -9.210 1.00 3.35 C +ATOM 415 CD2 TYR F 193 -24.816 -18.305 -8.272 1.00 3.58 C +ATOM 416 CE1 TYR F 193 -22.990 -20.239 -9.056 1.00 3.55 C +ATOM 417 CE2 TYR F 193 -25.124 -19.650 -8.115 1.00 3.67 C +ATOM 418 CZ TYR F 193 -24.209 -20.612 -8.509 1.00 3.85 C +ATOM 419 OH TYR F 193 -24.513 -21.945 -8.351 1.00 4.16 O +ATOM 420 N CYS F 194 -21.966 -17.135 -5.880 1.00 3.68 N +ATOM 421 CA CYS F 194 -21.040 -18.015 -5.180 1.00 3.74 C +ATOM 422 C CYS F 194 -21.534 -19.452 -5.272 1.00 3.75 C +ATOM 423 O CYS F 194 -22.591 -19.794 -4.739 1.00 3.73 O +ATOM 424 CB CYS F 194 -20.912 -17.597 -3.717 1.00 3.76 C +ATOM 425 SG CYS F 194 -20.190 -15.954 -3.486 1.00 4.05 S +ATOM 426 N SER F 195 -20.768 -20.285 -5.966 1.00 3.76 N +ATOM 427 CA SER F 195 -21.082 -21.704 -6.078 1.00 3.81 C +ATOM 428 C SER F 195 -20.749 -22.412 -4.774 1.00 3.79 C +ATOM 429 O SER F 195 -19.903 -21.945 -4.012 1.00 3.85 O +ATOM 430 CB SER F 195 -20.277 -22.339 -7.214 1.00 3.85 C +ATOM 431 OG SER F 195 -18.885 -22.229 -6.974 1.00 3.77 O +ATOM 432 N AARG F 196 -21.412 -23.535 -4.523 0.50 3.78 N +ATOM 433 N BARG F 196 -21.430 -23.528 -4.520 0.50 3.76 N +ATOM 434 CA AARG F 196 -21.112 -24.354 -3.355 0.50 3.76 C +ATOM 435 CA BARG F 196 -21.124 -24.385 -3.378 0.50 3.72 C +ATOM 436 C AARG F 196 -20.023 -25.361 -3.714 0.50 3.74 C +ATOM 437 C BARG F 196 -19.972 -25.311 -3.743 0.50 3.72 C +ATOM 438 O AARG F 196 -19.985 -25.872 -4.834 0.50 3.70 O +ATOM 439 O BARG F 196 -19.843 -25.723 -4.897 0.50 3.67 O +ATOM 440 CB AARG F 196 -22.373 -25.066 -2.869 0.50 3.79 C +ATOM 441 CB BARG F 196 -22.332 -25.236 -2.984 0.50 3.74 C +ATOM 442 CG AARG F 196 -22.250 -25.651 -1.472 0.50 3.87 C +ATOM 443 CG BARG F 196 -23.648 -24.490 -2.878 0.50 3.70 C +ATOM 444 CD AARG F 196 -23.513 -25.402 -0.662 0.50 3.92 C +ATOM 445 CD BARG F 196 -24.572 -25.186 -1.889 0.50 3.74 C +ATOM 446 NE AARG F 196 -23.633 -24.000 -0.269 0.50 3.82 N +ATOM 447 NE BARG F 196 -24.162 -26.568 -1.638 0.50 3.77 N +ATOM 448 CZ AARG F 196 -24.687 -23.486 0.355 0.50 3.85 C +ATOM 449 CZ BARG F 196 -24.748 -27.638 -2.167 0.50 3.74 C +ATOM 450 NH1AARG F 196 -25.724 -24.256 0.657 0.50 3.85 N +ATOM 451 NH1BARG F 196 -25.785 -27.497 -2.981 0.50 3.87 N +ATOM 452 NH2AARG F 196 -24.704 -22.199 0.674 0.50 3.86 N +ATOM 453 NH2BARG F 196 -24.298 -28.851 -1.876 0.50 3.59 N +ATOM 454 N CYS F 197 -19.136 -25.637 -2.762 1.00 3.71 N +ATOM 455 CA CYS F 197 -18.026 -26.559 -2.986 1.00 3.77 C +ATOM 456 C CYS F 197 -18.543 -27.989 -2.996 1.00 3.67 C +ATOM 457 O CYS F 197 -19.592 -28.284 -2.418 1.00 3.62 O +ATOM 458 CB CYS F 197 -16.961 -26.401 -1.902 1.00 3.82 C +ATOM 459 SG CYS F 197 -17.505 -26.957 -0.282 1.00 4.49 S +ATOM 460 N THR F 198 -17.801 -28.870 -3.658 1.00 3.59 N +ATOM 461 CA THR F 198 -18.172 -30.278 -3.754 1.00 3.51 C +ATOM 462 C THR F 198 -17.800 -31.023 -2.477 1.00 3.52 C +ATOM 463 O THR F 198 -17.045 -30.513 -1.644 1.00 3.43 O +ATOM 464 CB THR F 198 -17.474 -30.961 -4.946 1.00 3.49 C +ATOM 465 OG1 THR F 198 -16.056 -30.810 -4.821 1.00 3.42 O +ATOM 466 CG2 THR F 198 -17.926 -30.347 -6.260 1.00 3.30 C +ATOM 467 N SER F 199 -18.338 -32.233 -2.340 1.00 3.57 N +ATOM 468 CA SER F 199 -18.025 -33.118 -1.212 1.00 3.61 C +ATOM 469 C SER F 199 -16.517 -33.277 -1.021 1.00 3.59 C +ATOM 470 O SER F 199 -16.010 -33.149 0.093 1.00 3.55 O +ATOM 471 CB SER F 199 -18.662 -34.495 -1.428 1.00 3.64 C +ATOM 472 OG SER F 199 -18.118 -35.466 -0.547 1.00 3.79 O +ATOM 473 N ASP F 200 -15.815 -33.560 -2.115 1.00 3.62 N +ATOM 474 CA ASP F 200 -14.358 -33.716 -2.093 1.00 3.67 C +ATOM 475 C ASP F 200 -13.644 -32.428 -1.678 1.00 3.58 C +ATOM 476 O ASP F 200 -12.652 -32.474 -0.956 1.00 3.58 O +ATOM 477 CB ASP F 200 -13.837 -34.174 -3.466 1.00 3.71 C +ATOM 478 CG ASP F 200 -14.230 -35.608 -3.803 1.00 3.87 C +ATOM 479 OD1 ASP F 200 -14.563 -35.870 -4.979 1.00 4.41 O +ATOM 480 OD2 ASP F 200 -14.205 -36.476 -2.905 1.00 3.93 O +ATOM 481 N GLN F 201 -14.149 -31.287 -2.139 1.00 3.50 N +ATOM 482 CA GLN F 201 -13.548 -29.989 -1.819 1.00 3.47 C +ATOM 483 C GLN F 201 -13.750 -29.610 -0.354 1.00 3.46 C +ATOM 484 O GLN F 201 -12.857 -29.042 0.277 1.00 3.44 O +ATOM 485 CB GLN F 201 -14.114 -28.895 -2.728 1.00 3.41 C +ATOM 486 CG GLN F 201 -13.566 -28.948 -4.148 1.00 3.43 C +ATOM 487 CD GLN F 201 -14.272 -28.005 -5.102 1.00 3.33 C +ATOM 488 OE1 GLN F 201 -15.396 -27.571 -4.852 1.00 3.48 O +ATOM 489 NE2 GLN F 201 -13.613 -27.688 -6.212 1.00 3.20 N +ATOM 490 N LEU F 202 -14.927 -29.922 0.179 1.00 3.50 N +ATOM 491 CA LEU F 202 -15.220 -29.685 1.591 1.00 3.47 C +ATOM 492 C LEU F 202 -14.333 -30.557 2.476 1.00 3.52 C +ATOM 493 O LEU F 202 -13.908 -30.128 3.548 1.00 3.48 O +ATOM 494 CB LEU F 202 -16.693 -29.974 1.888 1.00 3.47 C +ATOM 495 CG LEU F 202 -17.177 -29.629 3.299 1.00 3.29 C +ATOM 496 CD1 LEU F 202 -17.217 -28.120 3.499 1.00 3.02 C +ATOM 497 CD2 LEU F 202 -18.538 -30.250 3.560 1.00 3.26 C +ATOM 498 N HIS F 203 -14.059 -31.777 2.018 1.00 3.58 N +ATOM 499 CA HIS F 203 -13.182 -32.705 2.733 1.00 3.62 C +ATOM 500 C HIS F 203 -11.746 -32.180 2.788 1.00 3.58 C +ATOM 501 O HIS F 203 -11.109 -32.219 3.843 1.00 3.58 O +ATOM 502 CB HIS F 203 -13.224 -34.092 2.074 1.00 3.65 C +ATOM 503 CG HIS F 203 -12.382 -35.125 2.762 1.00 3.89 C +ATOM 504 ND1 HIS F 203 -12.755 -35.723 3.948 1.00 4.17 N +ATOM 505 CD2 HIS F 203 -11.193 -35.678 2.422 1.00 3.98 C +ATOM 506 CE1 HIS F 203 -11.830 -36.593 4.311 1.00 4.24 C +ATOM 507 NE2 HIS F 203 -10.871 -36.585 3.402 1.00 4.14 N +ATOM 508 N ILE F 204 -11.252 -31.683 1.654 1.00 3.58 N +ATOM 509 CA ILE F 204 -9.880 -31.165 1.553 1.00 3.54 C +ATOM 510 C ILE F 204 -9.656 -29.983 2.505 1.00 3.47 C +ATOM 511 O ILE F 204 -8.602 -29.885 3.138 1.00 3.38 O +ATOM 512 CB ILE F 204 -9.531 -30.741 0.095 1.00 3.61 C +ATOM 513 CG1 ILE F 204 -9.469 -31.957 -0.835 1.00 3.74 C +ATOM 514 CG2 ILE F 204 -8.193 -30.006 0.039 1.00 3.50 C +ATOM 515 CD1 ILE F 204 -8.311 -32.893 -0.556 1.00 4.06 C +ATOM 516 N LEU F 205 -10.654 -29.103 2.602 1.00 3.40 N +ATOM 517 CA LEU F 205 -10.601 -27.943 3.498 1.00 3.36 C +ATOM 518 C LEU F 205 -10.625 -28.348 4.967 1.00 3.31 C +ATOM 519 O LEU F 205 -9.908 -27.771 5.785 1.00 3.20 O +ATOM 520 CB LEU F 205 -11.768 -26.991 3.218 1.00 3.37 C +ATOM 521 CG LEU F 205 -11.722 -26.234 1.889 1.00 3.34 C +ATOM 522 CD1 LEU F 205 -13.093 -25.652 1.561 1.00 3.30 C +ATOM 523 CD2 LEU F 205 -10.659 -25.143 1.924 1.00 2.76 C +ATOM 524 N LYS F 206 -11.464 -29.329 5.294 1.00 3.34 N +ATOM 525 CA LYS F 206 -11.563 -29.843 6.663 1.00 3.39 C +ATOM 526 C LYS F 206 -10.270 -30.530 7.102 1.00 3.42 C +ATOM 527 O LYS F 206 -9.837 -30.363 8.239 1.00 3.42 O +ATOM 528 CB LYS F 206 -12.743 -30.813 6.805 1.00 3.39 C +ATOM 529 CG LYS F 206 -14.112 -30.142 6.893 1.00 3.45 C +ATOM 530 CD LYS F 206 -15.233 -31.175 6.813 1.00 3.63 C +ATOM 531 CE LYS F 206 -16.617 -30.536 6.736 1.00 3.77 C +ATOM 532 NZ LYS F 206 -17.195 -30.230 8.071 1.00 4.02 N +ATOM 533 N VAL F 207 -9.655 -31.293 6.200 1.00 3.47 N +ATOM 534 CA VAL F 207 -8.392 -31.979 6.503 1.00 3.52 C +ATOM 535 C VAL F 207 -7.264 -30.983 6.802 1.00 3.56 C +ATOM 536 O VAL F 207 -6.469 -31.202 7.716 1.00 3.61 O +ATOM 537 CB VAL F 207 -7.969 -32.938 5.367 1.00 3.50 C +ATOM 538 CG1 VAL F 207 -6.575 -33.498 5.619 1.00 3.30 C +ATOM 539 CG2 VAL F 207 -8.976 -34.073 5.237 1.00 3.41 C +ATOM 540 N LEU F 208 -7.214 -29.886 6.049 1.00 3.57 N +ATOM 541 CA LEU F 208 -6.242 -28.817 6.311 1.00 3.61 C +ATOM 542 C LEU F 208 -6.644 -27.885 7.468 1.00 3.62 C +ATOM 543 O LEU F 208 -5.874 -27.007 7.846 1.00 3.78 O +ATOM 544 CB LEU F 208 -5.981 -27.989 5.042 1.00 3.61 C +ATOM 545 CG LEU F 208 -4.998 -28.566 4.012 1.00 3.84 C +ATOM 546 CD1 LEU F 208 -4.595 -27.484 3.013 1.00 4.08 C +ATOM 547 CD2 LEU F 208 -3.746 -29.162 4.662 1.00 3.63 C +ATOM 548 N GLY F 209 -7.842 -28.061 8.018 1.00 3.59 N +ATOM 549 CA GLY F 209 -8.292 -27.262 9.159 1.00 3.57 C +ATOM 550 C GLY F 209 -8.753 -25.850 8.826 1.00 3.55 C +ATOM 551 O GLY F 209 -8.957 -25.035 9.731 1.00 3.46 O +ATOM 552 N ILE F 210 -8.936 -25.562 7.537 1.00 3.40 N +ATOM 553 CA ILE F 210 -9.395 -24.245 7.094 1.00 3.30 C +ATOM 554 C ILE F 210 -10.843 -24.033 7.548 1.00 3.29 C +ATOM 555 O ILE F 210 -11.251 -22.915 7.870 1.00 3.05 O +ATOM 556 CB ILE F 210 -9.300 -24.090 5.557 1.00 3.30 C +ATOM 557 CG1 ILE F 210 -7.860 -24.295 5.064 1.00 3.44 C +ATOM 558 CG2 ILE F 210 -9.807 -22.719 5.120 1.00 3.33 C +ATOM 559 CD1 ILE F 210 -6.842 -23.357 5.688 1.00 3.55 C +ATOM 560 N LEU F 211 -11.609 -25.122 7.552 1.00 3.30 N +ATOM 561 CA LEU F 211 -12.930 -25.159 8.164 1.00 3.37 C +ATOM 562 C LEU F 211 -12.945 -26.224 9.263 1.00 3.41 C +ATOM 563 O LEU F 211 -12.182 -27.187 9.202 1.00 3.42 O +ATOM 564 CB LEU F 211 -14.002 -25.488 7.122 1.00 3.33 C +ATOM 565 CG LEU F 211 -14.116 -24.559 5.912 1.00 3.18 C +ATOM 566 CD1 LEU F 211 -15.194 -25.064 4.961 1.00 2.75 C +ATOM 567 CD2 LEU F 211 -14.400 -23.130 6.350 1.00 2.79 C +ATOM 568 N PRO F 212 -13.815 -26.052 10.272 1.00 3.48 N +ATOM 569 CA PRO F 212 -13.974 -27.073 11.307 1.00 3.53 C +ATOM 570 C PRO F 212 -14.757 -28.291 10.814 1.00 3.54 C +ATOM 571 O PRO F 212 -15.418 -28.228 9.778 1.00 3.49 O +ATOM 572 CB PRO F 212 -14.765 -26.344 12.400 1.00 3.52 C +ATOM 573 CG PRO F 212 -15.509 -25.277 11.686 1.00 3.44 C +ATOM 574 CD PRO F 212 -14.656 -24.867 10.527 1.00 3.46 C +ATOM 575 N PHE F 213 -14.681 -29.385 11.565 1.00 3.56 N +ATOM 576 CA PHE F 213 -15.430 -30.605 11.243 1.00 3.59 C +ATOM 577 C PHE F 213 -16.945 -30.360 11.262 1.00 3.71 C +ATOM 578 O PHE F 213 -17.695 -31.051 10.575 1.00 3.65 O +ATOM 579 CB PHE F 213 -15.054 -31.742 12.203 1.00 3.54 C +ATOM 580 CG PHE F 213 -15.717 -31.649 13.548 1.00 3.52 C +ATOM 581 CD1 PHE F 213 -15.267 -30.743 14.502 1.00 3.41 C +ATOM 582 CD2 PHE F 213 -16.799 -32.466 13.860 1.00 3.48 C +ATOM 583 CE1 PHE F 213 -15.879 -30.656 15.745 1.00 3.48 C +ATOM 584 CE2 PHE F 213 -17.418 -32.384 15.102 1.00 3.42 C +ATOM 585 CZ PHE F 213 -16.957 -31.478 16.046 1.00 3.43 C +ATOM 586 N ASN F 214 -17.376 -29.388 12.067 1.00 3.84 N +ATOM 587 CA ASN F 214 -18.752 -28.881 12.051 1.00 3.96 C +ATOM 588 C ASN F 214 -19.207 -28.437 10.668 1.00 3.90 C +ATOM 589 O ASN F 214 -20.319 -28.753 10.247 1.00 3.81 O +ATOM 590 CB ASN F 214 -18.883 -27.665 12.980 1.00 4.07 C +ATOM 591 CG ASN F 214 -18.961 -28.041 14.445 1.00 4.56 C +ATOM 592 OD1 ASN F 214 -19.650 -28.990 14.822 1.00 5.07 O +ATOM 593 ND2 ASN F 214 -18.272 -27.273 15.287 1.00 5.23 N +ATOM 594 N ALA F 215 -18.331 -27.697 9.986 1.00 3.90 N +ATOM 595 CA ALA F 215 -18.659 -26.953 8.761 1.00 3.95 C +ATOM 596 C ALA F 215 -19.714 -27.626 7.886 1.00 4.00 C +ATOM 597 O ALA F 215 -19.524 -28.767 7.456 1.00 3.92 O +ATOM 598 CB ALA F 215 -17.399 -26.694 7.943 1.00 3.92 C +ATOM 599 N PRO F 216 -20.821 -26.911 7.606 1.00 4.14 N +ATOM 600 CA PRO F 216 -21.926 -27.479 6.827 1.00 4.21 C +ATOM 601 C PRO F 216 -21.563 -27.667 5.355 1.00 4.21 C +ATOM 602 O PRO F 216 -21.690 -28.766 4.813 1.00 4.36 O +ATOM 603 CB PRO F 216 -23.044 -26.442 6.987 1.00 4.26 C +ATOM 604 CG PRO F 216 -22.353 -25.154 7.299 1.00 4.21 C +ATOM 605 CD PRO F 216 -21.031 -25.483 7.923 1.00 4.12 C +ATOM 606 N SER F 217 -21.110 -26.592 4.728 1.00 4.16 N +ATOM 607 CA SER F 217 -20.627 -26.623 3.357 1.00 4.21 C +ATOM 608 C SER F 217 -19.707 -25.418 3.207 1.00 4.23 C +ATOM 609 O SER F 217 -19.137 -24.964 4.204 1.00 4.33 O +ATOM 610 CB SER F 217 -21.798 -26.605 2.370 1.00 4.19 C +ATOM 611 OG SER F 217 -22.307 -27.912 2.180 1.00 4.24 O +ATOM 612 N CYS F 218 -19.546 -24.906 1.992 1.00 4.19 N +ATOM 613 CA CYS F 218 -18.676 -23.764 1.768 1.00 4.26 C +ATOM 614 C CYS F 218 -18.970 -23.112 0.421 1.00 4.08 C +ATOM 615 O CYS F 218 -18.932 -23.770 -0.619 1.00 4.08 O +ATOM 616 CB CYS F 218 -17.217 -24.217 1.851 1.00 4.26 C +ATOM 617 SG CYS F 218 -16.023 -23.061 1.210 1.00 5.46 S +ATOM 618 N GLY F 219 -19.291 -21.821 0.458 1.00 3.93 N +ATOM 619 CA GLY F 219 -19.442 -21.023 -0.751 1.00 3.81 C +ATOM 620 C GLY F 219 -18.082 -20.733 -1.362 1.00 3.78 C +ATOM 621 O GLY F 219 -17.092 -20.570 -0.644 1.00 3.81 O +ATOM 622 N LEU F 220 -18.035 -20.679 -2.690 1.00 3.67 N +ATOM 623 CA LEU F 220 -16.800 -20.406 -3.414 1.00 3.56 C +ATOM 624 C LEU F 220 -16.982 -19.181 -4.301 1.00 3.55 C +ATOM 625 O LEU F 220 -17.918 -19.116 -5.098 1.00 3.58 O +ATOM 626 CB LEU F 220 -16.389 -21.619 -4.249 1.00 3.51 C +ATOM 627 CG LEU F 220 -15.881 -22.829 -3.459 1.00 3.26 C +ATOM 628 CD1 LEU F 220 -15.709 -24.032 -4.365 1.00 2.81 C +ATOM 629 CD2 LEU F 220 -14.578 -22.509 -2.748 1.00 2.72 C +ATOM 630 N ILE F 221 -16.082 -18.212 -4.144 1.00 3.53 N +ATOM 631 CA ILE F 221 -16.160 -16.935 -4.853 1.00 3.56 C +ATOM 632 C ILE F 221 -14.955 -16.780 -5.778 1.00 3.58 C +ATOM 633 O ILE F 221 -13.828 -17.090 -5.388 1.00 3.70 O +ATOM 634 CB ILE F 221 -16.227 -15.746 -3.856 1.00 3.54 C +ATOM 635 CG1 ILE F 221 -16.478 -14.426 -4.593 1.00 3.58 C +ATOM 636 CG2 ILE F 221 -14.954 -15.653 -3.027 1.00 3.42 C +ATOM 637 CD1 ILE F 221 -16.831 -13.270 -3.671 1.00 3.28 C +ATOM 638 N THR F 222 -15.190 -16.304 -6.999 1.00 3.52 N +ATOM 639 CA THR F 222 -14.100 -16.107 -7.954 1.00 3.54 C +ATOM 640 C THR F 222 -13.199 -14.975 -7.470 1.00 3.61 C +ATOM 641 O THR F 222 -13.667 -14.046 -6.809 1.00 3.64 O +ATOM 642 CB THR F 222 -14.597 -15.765 -9.381 1.00 3.50 C +ATOM 643 OG1 THR F 222 -15.134 -14.438 -9.405 1.00 3.39 O +ATOM 644 CG2 THR F 222 -15.648 -16.753 -9.852 1.00 3.41 C +ATOM 645 N LEU F 223 -11.913 -15.058 -7.808 1.00 3.61 N +ATOM 646 CA LEU F 223 -10.934 -14.041 -7.418 1.00 3.68 C +ATOM 647 C LEU F 223 -11.340 -12.639 -7.872 1.00 3.75 C +ATOM 648 O LEU F 223 -11.071 -11.656 -7.179 1.00 3.75 O +ATOM 649 CB LEU F 223 -9.548 -14.385 -7.981 1.00 3.64 C +ATOM 650 CG LEU F 223 -8.426 -13.362 -7.744 1.00 3.78 C +ATOM 651 CD1 LEU F 223 -8.318 -12.997 -6.266 1.00 3.76 C +ATOM 652 CD2 LEU F 223 -7.092 -13.884 -8.272 1.00 3.79 C +ATOM 653 N THR F 224 -11.978 -12.555 -9.036 1.00 3.91 N +ATOM 654 CA THR F 224 -12.409 -11.270 -9.593 1.00 4.03 C +ATOM 655 C THR F 224 -13.619 -10.705 -8.848 1.00 3.99 C +ATOM 656 O THR F 224 -13.697 -9.497 -8.610 1.00 4.05 O +ATOM 657 CB THR F 224 -12.712 -11.363 -11.112 1.00 4.13 C +ATOM 658 OG1 THR F 224 -13.030 -10.060 -11.613 1.00 4.27 O +ATOM 659 CG2 THR F 224 -13.879 -12.318 -11.401 1.00 4.49 C +ATOM 660 N ASP F 225 -14.557 -11.575 -8.484 1.00 3.93 N +ATOM 661 CA ASP F 225 -15.700 -11.170 -7.665 1.00 3.87 C +ATOM 662 C ASP F 225 -15.259 -10.835 -6.245 1.00 3.79 C +ATOM 663 O ASP F 225 -15.822 -9.940 -5.616 1.00 3.72 O +ATOM 664 CB ASP F 225 -16.767 -12.267 -7.626 1.00 3.85 C +ATOM 665 CG ASP F 225 -17.527 -12.395 -8.934 1.00 3.98 C +ATOM 666 OD1 ASP F 225 -17.822 -11.359 -9.576 1.00 4.23 O +ATOM 667 OD2 ASP F 225 -17.847 -13.542 -9.311 1.00 4.04 O +ATOM 668 N ALA F 226 -14.252 -11.556 -5.751 1.00 3.75 N +ATOM 669 CA ALA F 226 -13.713 -11.319 -4.410 1.00 3.73 C +ATOM 670 C ALA F 226 -13.123 -9.917 -4.286 1.00 3.75 C +ATOM 671 O ALA F 226 -13.384 -9.217 -3.306 1.00 3.74 O +ATOM 672 CB ALA F 226 -12.668 -12.362 -4.066 1.00 3.70 C +ATOM 673 N AGLN F 227 -12.332 -9.523 -5.282 0.50 3.75 N +ATOM 674 N BGLN F 227 -12.331 -9.510 -5.275 0.50 3.76 N +ATOM 675 CA AGLN F 227 -11.729 -8.189 -5.326 0.50 3.77 C +ATOM 676 CA BGLN F 227 -11.742 -8.169 -5.279 0.50 3.79 C +ATOM 677 C AGLN F 227 -12.792 -7.087 -5.404 0.50 3.81 C +ATOM 678 C BGLN F 227 -12.813 -7.083 -5.378 0.50 3.82 C +ATOM 679 O AGLN F 227 -12.675 -6.052 -4.747 0.50 3.95 O +ATOM 680 O BGLN F 227 -12.722 -6.050 -4.713 0.50 3.96 O +ATOM 681 CB AGLN F 227 -10.759 -8.091 -6.511 0.50 3.72 C +ATOM 682 CB BGLN F 227 -10.737 -8.016 -6.421 0.50 3.77 C +ATOM 683 CG AGLN F 227 -9.483 -8.913 -6.326 0.50 3.64 C +ATOM 684 CG BGLN F 227 -10.146 -6.618 -6.527 0.50 3.75 C +ATOM 685 CD AGLN F 227 -8.756 -9.198 -7.630 0.50 3.46 C +ATOM 686 CD BGLN F 227 -9.600 -6.108 -5.206 0.50 3.86 C +ATOM 687 OE1AGLN F 227 -9.266 -8.923 -8.717 0.50 3.30 O +ATOM 688 OE1BGLN F 227 -9.402 -6.875 -4.263 0.50 4.10 O +ATOM 689 NE2AGLN F 227 -7.558 -9.761 -7.526 0.50 3.37 N +ATOM 690 NE2BGLN F 227 -9.351 -4.805 -5.133 0.50 4.07 N +ATOM 691 N ARG F 228 -13.827 -7.325 -6.203 1.00 3.82 N +ATOM 692 CA ARG F 228 -14.946 -6.394 -6.338 1.00 3.84 C +ATOM 693 C ARG F 228 -15.724 -6.264 -5.021 1.00 3.86 C +ATOM 694 O ARG F 228 -16.058 -5.158 -4.590 1.00 3.86 O +ATOM 695 CB ARG F 228 -15.881 -6.879 -7.441 1.00 3.84 C +ATOM 696 CG ARG F 228 -16.909 -5.860 -7.878 1.00 4.09 C +ATOM 697 CD ARG F 228 -17.990 -6.518 -8.710 1.00 4.34 C +ATOM 698 NE ARG F 228 -18.654 -5.556 -9.579 1.00 4.58 N +ATOM 699 CZ ARG F 228 -18.152 -5.090 -10.720 1.00 4.45 C +ATOM 700 NH1 ARG F 228 -16.960 -5.491 -11.157 1.00 4.45 N +ATOM 701 NH2 ARG F 228 -18.851 -4.212 -11.432 1.00 4.61 N +ATOM 702 N LEU F 229 -16.012 -7.406 -4.402 1.00 3.79 N +ATOM 703 CA LEU F 229 -16.624 -7.451 -3.077 1.00 3.77 C +ATOM 704 C LEU F 229 -15.818 -6.617 -2.081 1.00 3.84 C +ATOM 705 O LEU F 229 -16.375 -5.775 -1.373 1.00 4.00 O +ATOM 706 CB LEU F 229 -16.719 -8.901 -2.590 1.00 3.70 C +ATOM 707 CG LEU F 229 -17.230 -9.135 -1.167 1.00 3.55 C +ATOM 708 CD1 LEU F 229 -18.692 -8.726 -1.066 1.00 2.93 C +ATOM 709 CD2 LEU F 229 -17.025 -10.592 -0.758 1.00 2.69 C +ATOM 710 N CYS F 230 -14.510 -6.860 -2.033 1.00 3.84 N +ATOM 711 CA CYS F 230 -13.609 -6.130 -1.136 1.00 3.79 C +ATOM 712 C CYS F 230 -13.578 -4.637 -1.435 1.00 3.70 C +ATOM 713 O CYS F 230 -13.564 -3.823 -0.517 1.00 3.73 O +ATOM 714 CB CYS F 230 -12.190 -6.694 -1.216 1.00 3.86 C +ATOM 715 SG CYS F 230 -12.001 -8.314 -0.445 1.00 4.31 S +ATOM 716 N ASN F 231 -13.567 -4.275 -2.715 1.00 3.61 N +ATOM 717 CA ASN F 231 -13.614 -2.864 -3.101 1.00 3.57 C +ATOM 718 C ASN F 231 -14.909 -2.193 -2.654 1.00 3.52 C +ATOM 719 O ASN F 231 -14.881 -1.080 -2.136 1.00 3.43 O +ATOM 720 CB ASN F 231 -13.441 -2.695 -4.613 1.00 3.59 C +ATOM 721 CG ASN F 231 -12.023 -2.980 -5.082 1.00 3.70 C +ATOM 722 OD1 ASN F 231 -11.051 -2.742 -4.364 1.00 3.76 O +ATOM 723 ND2 ASN F 231 -11.902 -3.487 -6.300 1.00 3.79 N +ATOM 724 N ALA F 232 -16.038 -2.874 -2.849 1.00 3.56 N +ATOM 725 CA ALA F 232 -17.352 -2.331 -2.466 1.00 3.56 C +ATOM 726 C ALA F 232 -17.431 -2.039 -0.971 1.00 3.53 C +ATOM 727 O ALA F 232 -17.883 -0.971 -0.569 1.00 3.60 O +ATOM 728 CB ALA F 232 -18.470 -3.283 -2.872 1.00 3.53 C +ATOM 729 N LEU F 233 -16.971 -2.983 -0.156 1.00 3.53 N +ATOM 730 CA LEU F 233 -17.056 -2.856 1.299 1.00 3.53 C +ATOM 731 C LEU F 233 -15.938 -2.008 1.912 1.00 3.49 C +ATOM 732 O LEU F 233 -16.197 -1.169 2.776 1.00 3.56 O +ATOM 733 CB LEU F 233 -17.074 -4.240 1.950 1.00 3.54 C +ATOM 734 CG LEU F 233 -18.323 -5.074 1.666 1.00 3.44 C +ATOM 735 CD1 LEU F 233 -18.174 -6.463 2.262 1.00 3.32 C +ATOM 736 CD2 LEU F 233 -19.576 -4.383 2.206 1.00 3.55 C +ATOM 737 N LEU F 234 -14.705 -2.217 1.465 1.00 3.41 N +ATOM 738 CA LEU F 234 -13.542 -1.558 2.077 1.00 3.37 C +ATOM 739 C LEU F 234 -13.230 -0.182 1.494 1.00 3.39 C +ATOM 740 O LEU F 234 -12.704 0.681 2.195 1.00 3.25 O +ATOM 741 CB LEU F 234 -12.306 -2.448 1.959 1.00 3.26 C +ATOM 742 CG LEU F 234 -12.455 -3.847 2.552 1.00 3.03 C +ATOM 743 CD1 LEU F 234 -11.224 -4.680 2.250 1.00 3.24 C +ATOM 744 CD2 LEU F 234 -12.702 -3.761 4.050 1.00 2.47 C +ATOM 745 N ARG F 235 -13.546 0.013 0.216 1.00 3.54 N +ATOM 746 CA ARG F 235 -13.229 1.259 -0.488 1.00 3.64 C +ATOM 747 C ARG F 235 -14.427 1.752 -1.301 1.00 3.64 C +ATOM 748 O ARG F 235 -14.371 1.791 -2.529 1.00 3.70 O +ATOM 749 CB ARG F 235 -12.014 1.054 -1.405 1.00 3.58 C +ATOM 750 CG ARG F 235 -10.695 0.828 -0.667 1.00 3.70 C +ATOM 751 CD ARG F 235 -9.578 0.398 -1.621 1.00 3.43 C +ATOM 752 NE ARG F 235 -9.814 -0.944 -2.156 1.00 3.34 N +ATOM 753 CZ ARG F 235 -9.524 -2.085 -1.527 1.00 3.22 C +ATOM 754 NH1 ARG F 235 -8.969 -2.083 -0.317 1.00 3.01 N +ATOM 755 NH2 ARG F 235 -9.794 -3.245 -2.114 1.00 3.20 N +ATOM 756 N PRO F 236 -15.518 2.133 -0.617 1.00 3.73 N +ATOM 757 CA PRO F 236 -16.702 2.615 -1.322 1.00 3.83 C +ATOM 758 C PRO F 236 -16.446 3.962 -1.984 1.00 3.91 C +ATOM 759 O PRO F 236 -15.737 4.795 -1.421 1.00 4.09 O +ATOM 760 CB PRO F 236 -17.741 2.758 -0.206 1.00 3.82 C +ATOM 761 CG PRO F 236 -16.943 3.015 1.014 1.00 3.80 C +ATOM 762 CD PRO F 236 -15.672 2.232 0.846 1.00 3.74 C +ATOM 763 N ARG F 237 -17.025 4.169 -3.164 1.00 3.92 N +ATOM 764 CA ARG F 237 -16.812 5.402 -3.925 1.00 3.93 C +ATOM 765 C ARG F 237 -17.507 6.584 -3.263 1.00 3.88 C +ATOM 766 O ARG F 237 -18.478 6.411 -2.528 1.00 3.87 O +ATOM 767 CB ARG F 237 -17.326 5.252 -5.360 1.00 3.95 C +ATOM 768 CG ARG F 237 -16.696 4.102 -6.138 1.00 4.23 C +ATOM 769 CD ARG F 237 -17.236 4.032 -7.560 1.00 4.57 C +ATOM 770 NE ARG F 237 -17.015 2.720 -8.170 1.00 4.65 N +ATOM 771 CZ ARG F 237 -15.854 2.292 -8.666 1.00 4.92 C +ATOM 772 NH1 ARG F 237 -14.770 3.063 -8.633 1.00 4.94 N +ATOM 773 NH2 ARG F 237 -15.774 1.077 -9.200 1.00 5.13 N +ATOM 774 N THR F 238 -16.997 7.783 -3.531 1.00 3.94 N +ATOM 775 CA THR F 238 -17.604 9.021 -3.033 1.00 3.99 C +ATOM 776 C THR F 238 -17.025 10.243 -3.746 1.00 4.00 C +ATOM 777 O THR F 238 -15.830 10.304 -4.036 1.00 4.01 O +ATOM 778 CB THR F 238 -17.419 9.179 -1.500 1.00 4.05 C +ATOM 779 OG1 THR F 238 -17.867 10.479 -1.088 1.00 3.92 O +ATOM 780 CG2 THR F 238 -15.952 8.987 -1.100 1.00 4.03 C +ATOM 781 OXT THR F 238 -17.739 11.198 -4.049 1.00 3.97 O Added: SwiftApps/modFTdock/input/indata/3eq5-7.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3eq5-7.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3eq5-7.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,735 @@ +ATOM 1 N SER G 141 -30.633 -9.753 42.930 1.00 3.81 N +ATOM 2 CA SER G 141 -30.009 -11.096 43.112 1.00 3.80 C +ATOM 3 C SER G 141 -30.983 -12.220 42.755 1.00 3.76 C +ATOM 4 O SER G 141 -32.159 -11.981 42.465 1.00 3.62 O +ATOM 5 CB SER G 141 -29.505 -11.264 44.552 1.00 3.80 C +ATOM 6 OG SER G 141 -28.288 -10.564 44.752 1.00 3.79 O +ATOM 7 N THR G 142 -30.464 -13.444 42.777 1.00 3.77 N +ATOM 8 CA THR G 142 -31.220 -14.644 42.411 1.00 3.81 C +ATOM 9 C THR G 142 -31.934 -15.310 43.608 1.00 3.83 C +ATOM 10 O THR G 142 -32.918 -16.028 43.427 1.00 3.88 O +ATOM 11 CB THR G 142 -30.287 -15.674 41.719 1.00 3.82 C +ATOM 12 OG1 THR G 142 -31.028 -16.850 41.379 1.00 4.04 O +ATOM 13 CG2 THR G 142 -29.107 -16.058 42.619 1.00 3.68 C +ATOM 14 N GLU G 143 -31.437 -15.056 44.818 1.00 3.83 N +ATOM 15 CA GLU G 143 -31.924 -15.702 46.043 1.00 3.79 C +ATOM 16 C GLU G 143 -33.364 -15.324 46.404 1.00 3.67 C +ATOM 17 O GLU G 143 -33.641 -14.181 46.765 1.00 3.57 O +ATOM 18 CB GLU G 143 -30.995 -15.341 47.210 1.00 3.88 C +ATOM 19 CG GLU G 143 -31.415 -15.882 48.581 1.00 4.21 C +ATOM 20 CD GLU G 143 -30.548 -15.340 49.710 1.00 4.53 C +ATOM 21 OE1 GLU G 143 -29.305 -15.318 49.554 1.00 4.91 O +ATOM 22 OE2 GLU G 143 -31.111 -14.938 50.753 1.00 4.38 O +ATOM 23 N LEU G 144 -34.273 -16.294 46.328 1.00 3.63 N +ATOM 24 CA LEU G 144 -35.664 -16.068 46.730 1.00 3.59 C +ATOM 25 C LEU G 144 -35.846 -16.342 48.217 1.00 3.54 C +ATOM 26 O LEU G 144 -35.393 -17.368 48.726 1.00 3.57 O +ATOM 27 CB LEU G 144 -36.628 -16.943 45.929 1.00 3.51 C +ATOM 28 CG LEU G 144 -38.091 -16.503 46.053 1.00 3.55 C +ATOM 29 CD1 LEU G 144 -38.315 -15.207 45.287 1.00 3.16 C +ATOM 30 CD2 LEU G 144 -39.050 -17.591 45.573 1.00 3.68 C +ATOM 31 N THR G 145 -36.525 -15.424 48.900 1.00 3.49 N +ATOM 32 CA THR G 145 -36.779 -15.539 50.334 1.00 3.47 C +ATOM 33 C THR G 145 -38.234 -15.168 50.648 1.00 3.44 C +ATOM 34 O THR G 145 -39.010 -14.868 49.738 1.00 3.27 O +ATOM 35 CB THR G 145 -35.806 -14.648 51.143 1.00 3.48 C +ATOM 36 OG1 THR G 145 -36.008 -14.862 52.545 1.00 3.78 O +ATOM 37 CG2 THR G 145 -36.012 -13.175 50.813 1.00 3.30 C +ATOM 38 N GLN G 146 -38.596 -15.201 51.929 1.00 3.45 N +ATOM 39 CA GLN G 146 -39.961 -14.885 52.359 1.00 3.52 C +ATOM 40 C GLN G 146 -39.989 -13.838 53.471 1.00 3.49 C +ATOM 41 O GLN G 146 -39.099 -13.796 54.320 1.00 3.59 O +ATOM 42 CB GLN G 146 -40.689 -16.152 52.819 1.00 3.48 C +ATOM 43 CG GLN G 146 -40.790 -17.231 51.738 1.00 3.65 C +ATOM 44 CD GLN G 146 -41.866 -18.284 52.015 1.00 3.80 C +ATOM 45 OE1 GLN G 146 -42.655 -18.162 52.956 1.00 3.82 O +ATOM 46 NE2 GLN G 146 -41.902 -19.321 51.183 1.00 3.36 N +ATOM 47 N THR G 147 -41.018 -12.992 53.444 1.00 3.44 N +ATOM 48 CA THR G 147 -41.257 -11.981 54.479 1.00 3.34 C +ATOM 49 C THR G 147 -42.763 -11.874 54.745 1.00 3.36 C +ATOM 50 O THR G 147 -43.574 -12.144 53.860 1.00 3.26 O +ATOM 51 CB THR G 147 -40.679 -10.602 54.070 1.00 3.35 C +ATOM 52 OG1 THR G 147 -40.875 -9.655 55.127 1.00 3.03 O +ATOM 53 CG2 THR G 147 -41.339 -10.085 52.794 1.00 3.31 C +ATOM 54 N VAL G 148 -43.123 -11.482 55.965 1.00 3.43 N +ATOM 55 CA VAL G 148 -44.520 -11.484 56.415 1.00 3.40 C +ATOM 56 C VAL G 148 -45.222 -10.140 56.193 1.00 3.41 C +ATOM 57 O VAL G 148 -44.742 -9.097 56.631 1.00 3.37 O +ATOM 58 CB VAL G 148 -44.628 -11.841 57.912 1.00 3.36 C +ATOM 59 CG1 VAL G 148 -46.083 -11.916 58.331 1.00 3.51 C +ATOM 60 CG2 VAL G 148 -43.925 -13.160 58.202 1.00 3.33 C +ATOM 61 N LEU G 149 -46.372 -10.184 55.527 1.00 3.50 N +ATOM 62 CA LEU G 149 -47.187 -8.996 55.271 1.00 3.50 C +ATOM 63 C LEU G 149 -48.633 -9.269 55.676 1.00 3.49 C +ATOM 64 O LEU G 149 -49.217 -10.265 55.250 1.00 3.47 O +ATOM 65 CB LEU G 149 -47.127 -8.633 53.788 1.00 3.49 C +ATOM 66 CG LEU G 149 -47.815 -7.335 53.359 1.00 3.50 C +ATOM 67 CD1 LEU G 149 -47.049 -6.127 53.878 1.00 3.46 C +ATOM 68 CD2 LEU G 149 -47.942 -7.282 51.844 1.00 3.44 C +ATOM 69 N GLU G 150 -49.200 -8.386 56.497 1.00 3.55 N +ATOM 70 CA GLU G 150 -50.587 -8.517 56.981 1.00 3.59 C +ATOM 71 C GLU G 150 -50.946 -9.968 57.310 1.00 3.54 C +ATOM 72 O GLU G 150 -51.971 -10.480 56.866 1.00 3.53 O +ATOM 73 CB GLU G 150 -51.576 -7.949 55.953 1.00 3.62 C +ATOM 74 CG GLU G 150 -51.402 -6.456 55.658 1.00 3.83 C +ATOM 75 CD GLU G 150 -51.878 -5.550 56.787 1.00 3.98 C +ATOM 76 OE1 GLU G 150 -52.740 -5.972 57.590 1.00 4.41 O +ATOM 77 OE2 GLU G 150 -51.397 -4.399 56.862 1.00 3.91 O +ATOM 78 N GLY G 151 -50.077 -10.630 58.069 1.00 3.59 N +ATOM 79 CA GLY G 151 -50.271 -12.028 58.452 1.00 3.65 C +ATOM 80 C GLY G 151 -49.725 -13.049 57.465 1.00 3.75 C +ATOM 81 O GLY G 151 -49.242 -14.107 57.871 1.00 3.77 O +ATOM 82 N GLU G 152 -49.798 -12.737 56.173 1.00 3.83 N +ATOM 83 CA GLU G 152 -49.436 -13.688 55.121 1.00 3.90 C +ATOM 84 C GLU G 152 -47.929 -13.694 54.871 1.00 3.96 C +ATOM 85 O GLU G 152 -47.258 -12.674 55.027 1.00 4.07 O +ATOM 86 CB GLU G 152 -50.176 -13.342 53.824 1.00 3.97 C +ATOM 87 CG GLU G 152 -50.381 -14.519 52.867 1.00 4.24 C +ATOM 88 CD GLU G 152 -51.595 -15.373 53.213 1.00 4.75 C +ATOM 89 OE1 GLU G 152 -52.155 -16.007 52.292 1.00 5.11 O +ATOM 90 OE2 GLU G 152 -51.997 -15.409 54.397 1.00 5.13 O +ATOM 91 N SER G 153 -47.410 -14.853 54.475 1.00 3.91 N +ATOM 92 CA SER G 153 -45.999 -15.007 54.142 1.00 3.81 C +ATOM 93 C SER G 153 -45.821 -14.882 52.631 1.00 3.85 C +ATOM 94 O SER G 153 -46.265 -15.747 51.880 1.00 3.99 O +ATOM 95 CB SER G 153 -45.493 -16.366 54.627 1.00 3.81 C +ATOM 96 OG SER G 153 -44.101 -16.505 54.404 1.00 3.73 O +ATOM 97 N ILE G 154 -45.175 -13.801 52.196 1.00 3.77 N +ATOM 98 CA ILE G 154 -45.021 -13.493 50.775 1.00 3.66 C +ATOM 99 C ILE G 154 -43.601 -13.792 50.304 1.00 3.72 C +ATOM 100 O ILE G 154 -42.635 -13.519 51.015 1.00 3.72 O +ATOM 101 CB ILE G 154 -45.317 -11.999 50.488 1.00 3.64 C +ATOM 102 CG1 ILE G 154 -46.706 -11.606 50.993 1.00 3.61 C +ATOM 103 CG2 ILE G 154 -45.206 -11.701 48.997 1.00 3.59 C +ATOM 104 CD1 ILE G 154 -47.828 -12.449 50.424 1.00 3.44 C +ATOM 105 N SER G 155 -43.479 -14.352 49.104 1.00 3.64 N +ATOM 106 CA SER G 155 -42.172 -14.599 48.515 1.00 3.62 C +ATOM 107 C SER G 155 -41.611 -13.278 48.013 1.00 3.68 C +ATOM 108 O SER G 155 -42.348 -12.457 47.461 1.00 3.71 O +ATOM 109 CB SER G 155 -42.260 -15.614 47.375 1.00 3.62 C +ATOM 110 OG SER G 155 -42.534 -16.912 47.875 1.00 3.46 O +ATOM 111 N CYS G 156 -40.314 -13.071 48.216 1.00 3.60 N +ATOM 112 CA CYS G 156 -39.683 -11.807 47.854 1.00 3.69 C +ATOM 113 C CYS G 156 -38.214 -11.983 47.476 1.00 3.68 C +ATOM 114 O CYS G 156 -37.534 -12.891 47.962 1.00 3.56 O +ATOM 115 CB CYS G 156 -39.804 -10.809 49.008 1.00 3.67 C +ATOM 116 SG CYS G 156 -38.848 -11.256 50.479 1.00 4.15 S +ATOM 117 N PHE G 157 -37.740 -11.101 46.600 1.00 3.72 N +ATOM 118 CA PHE G 157 -36.348 -11.099 46.167 1.00 3.71 C +ATOM 119 C PHE G 157 -35.565 -10.058 46.946 1.00 3.79 C +ATOM 120 O PHE G 157 -36.038 -8.941 47.165 1.00 3.72 O +ATOM 121 CB PHE G 157 -36.242 -10.817 44.669 1.00 3.69 C +ATOM 122 CG PHE G 157 -36.631 -11.983 43.808 1.00 3.76 C +ATOM 123 CD1 PHE G 157 -37.840 -11.991 43.126 1.00 3.74 C +ATOM 124 CD2 PHE G 157 -35.790 -13.081 43.690 1.00 3.75 C +ATOM 125 CE1 PHE G 157 -38.199 -13.068 42.337 1.00 3.74 C +ATOM 126 CE2 PHE G 157 -36.143 -14.161 42.902 1.00 3.67 C +ATOM 127 CZ PHE G 157 -37.349 -14.155 42.224 1.00 3.76 C +ATOM 128 N GLN G 158 -34.361 -10.436 47.356 1.00 3.95 N +ATOM 129 CA GLN G 158 -33.496 -9.555 48.124 1.00 4.07 C +ATOM 130 C GLN G 158 -32.504 -8.839 47.219 1.00 4.09 C +ATOM 131 O GLN G 158 -31.670 -9.476 46.577 1.00 4.23 O +ATOM 132 CB GLN G 158 -32.744 -10.356 49.177 1.00 4.07 C +ATOM 133 CG GLN G 158 -31.908 -9.503 50.097 1.00 4.32 C +ATOM 134 CD GLN G 158 -32.722 -8.557 50.968 1.00 4.41 C +ATOM 135 OE1 GLN G 158 -33.681 -8.964 51.623 1.00 4.59 O +ATOM 136 NE2 GLN G 158 -32.320 -7.290 51.000 1.00 4.64 N +ATOM 137 N VAL G 159 -32.593 -7.513 47.188 1.00 4.16 N +ATOM 138 CA VAL G 159 -31.711 -6.690 46.360 1.00 4.22 C +ATOM 139 C VAL G 159 -30.956 -5.682 47.230 1.00 4.28 C +ATOM 140 O VAL G 159 -31.160 -4.470 47.131 1.00 4.37 O +ATOM 141 CB VAL G 159 -32.506 -5.964 45.250 1.00 4.26 C +ATOM 142 CG1 VAL G 159 -33.187 -6.978 44.336 1.00 4.11 C +ATOM 143 CG2 VAL G 159 -33.535 -5.023 45.855 1.00 4.35 C +ATOM 144 N GLY G 160 -30.077 -6.200 48.082 1.00 4.35 N +ATOM 145 CA GLY G 160 -29.281 -5.362 48.979 1.00 4.38 C +ATOM 146 C GLY G 160 -30.078 -5.024 50.222 1.00 4.45 C +ATOM 147 O GLY G 160 -30.221 -5.870 51.110 1.00 4.63 O +ATOM 148 N GLY G 161 -30.632 -3.827 50.316 1.00 4.41 N +ATOM 149 CA GLY G 161 -31.487 -3.552 51.469 1.00 4.37 C +ATOM 150 C GLY G 161 -32.976 -3.454 51.191 1.00 4.24 C +ATOM 151 O GLY G 161 -33.742 -3.127 52.095 1.00 4.35 O +ATOM 152 N GLU G 162 -33.395 -3.725 49.960 1.00 4.11 N +ATOM 153 CA GLU G 162 -34.814 -3.707 49.637 1.00 4.09 C +ATOM 154 C GLU G 162 -35.363 -5.111 49.505 1.00 3.96 C +ATOM 155 O GLU G 162 -34.769 -5.970 48.864 1.00 3.92 O +ATOM 156 CB GLU G 162 -35.083 -2.905 48.383 1.00 4.12 C +ATOM 157 CG GLU G 162 -35.567 -1.545 48.733 1.00 4.29 C +ATOM 158 CD GLU G 162 -35.603 -0.635 47.562 1.00 4.50 C +ATOM 159 OE1 GLU G 162 -35.762 -1.132 46.423 1.00 4.28 O +ATOM 160 OE2 GLU G 162 -35.463 0.585 47.784 1.00 4.78 O +ATOM 161 N LYS G 163 -36.498 -5.340 50.141 1.00 3.92 N +ATOM 162 CA LYS G 163 -37.214 -6.576 49.962 1.00 3.89 C +ATOM 163 C LYS G 163 -38.253 -6.282 48.913 1.00 3.80 C +ATOM 164 O LYS G 163 -39.078 -5.401 49.092 1.00 3.80 O +ATOM 165 CB LYS G 163 -37.842 -7.046 51.267 1.00 3.94 C +ATOM 166 CG LYS G 163 -37.031 -8.129 51.900 1.00 4.22 C +ATOM 167 CD LYS G 163 -37.495 -8.504 53.267 1.00 4.70 C +ATOM 168 CE LYS G 163 -36.841 -9.808 53.675 1.00 5.13 C +ATOM 169 NZ LYS G 163 -37.155 -10.226 55.069 1.00 5.31 N +ATOM 170 N ARG G 164 -38.188 -6.999 47.799 1.00 3.74 N +ATOM 171 CA ARG G 164 -39.136 -6.797 46.703 1.00 3.68 C +ATOM 172 C ARG G 164 -40.100 -7.979 46.584 1.00 3.60 C +ATOM 173 O ARG G 164 -39.716 -9.074 46.174 1.00 3.57 O +ATOM 174 CB ARG G 164 -38.384 -6.543 45.400 1.00 3.64 C +ATOM 175 CG ARG G 164 -37.732 -5.166 45.375 1.00 3.74 C +ATOM 176 CD ARG G 164 -36.745 -5.005 44.239 1.00 3.94 C +ATOM 177 NE ARG G 164 -35.981 -3.764 44.368 1.00 4.17 N +ATOM 178 CZ ARG G 164 -34.977 -3.403 43.572 1.00 4.22 C +ATOM 179 NH1 ARG G 164 -34.345 -2.254 43.788 1.00 4.71 N +ATOM 180 NH2 ARG G 164 -34.591 -4.184 42.568 1.00 4.15 N +ATOM 181 N LEU G 165 -41.356 -7.731 46.943 1.00 3.53 N +ATOM 182 CA LEU G 165 -42.357 -8.788 47.110 1.00 3.53 C +ATOM 183 C LEU G 165 -43.044 -9.175 45.802 1.00 3.52 C +ATOM 184 O LEU G 165 -43.247 -8.339 44.927 1.00 3.59 O +ATOM 185 CB LEU G 165 -43.415 -8.356 48.132 1.00 3.43 C +ATOM 186 CG LEU G 165 -42.990 -8.413 49.602 1.00 3.38 C +ATOM 187 CD1 LEU G 165 -41.888 -7.411 49.908 1.00 3.25 C +ATOM 188 CD2 LEU G 165 -44.187 -8.171 50.500 1.00 3.34 C +ATOM 189 N CYS G 166 -43.406 -10.450 45.691 1.00 3.52 N +ATOM 190 CA CYS G 166 -44.142 -10.964 44.531 1.00 3.60 C +ATOM 191 C CYS G 166 -45.533 -10.342 44.484 1.00 3.46 C +ATOM 192 O CYS G 166 -46.369 -10.642 45.325 1.00 3.49 O +ATOM 193 CB CYS G 166 -44.249 -12.488 44.616 1.00 3.60 C +ATOM 194 SG CYS G 166 -45.343 -13.250 43.409 1.00 4.16 S +ATOM 195 N LEU G 167 -45.770 -9.473 43.505 1.00 3.49 N +ATOM 196 CA LEU G 167 -46.998 -8.669 43.456 1.00 3.50 C +ATOM 197 C LEU G 167 -48.287 -9.492 43.317 1.00 3.62 C +ATOM 198 O LEU G 167 -49.271 -9.202 44.000 1.00 3.75 O +ATOM 199 CB LEU G 167 -46.916 -7.615 42.341 1.00 3.47 C +ATOM 200 CG LEU G 167 -48.001 -6.533 42.344 1.00 3.36 C +ATOM 201 CD1 LEU G 167 -47.854 -5.632 43.560 1.00 3.44 C +ATOM 202 CD2 LEU G 167 -47.951 -5.715 41.066 1.00 3.18 C +ATOM 203 N PRO G 168 -48.299 -10.508 42.431 1.00 3.64 N +ATOM 204 CA PRO G 168 -49.486 -11.356 42.340 1.00 3.70 C +ATOM 205 C PRO G 168 -49.970 -11.891 43.691 1.00 3.78 C +ATOM 206 O PRO G 168 -51.176 -11.942 43.929 1.00 3.78 O +ATOM 207 CB PRO G 168 -49.021 -12.502 41.441 1.00 3.66 C +ATOM 208 CG PRO G 168 -48.033 -11.879 40.550 1.00 3.69 C +ATOM 209 CD PRO G 168 -47.323 -10.839 41.377 1.00 3.66 C +ATOM 210 N GLN G 169 -49.039 -12.278 44.561 1.00 3.83 N +ATOM 211 CA GLN G 169 -49.398 -12.759 45.897 1.00 3.92 C +ATOM 212 C GLN G 169 -50.082 -11.675 46.733 1.00 3.92 C +ATOM 213 O GLN G 169 -51.080 -11.947 47.398 1.00 3.93 O +ATOM 214 CB GLN G 169 -48.171 -13.299 46.643 1.00 4.02 C +ATOM 215 CG GLN G 169 -47.813 -14.736 46.286 1.00 4.27 C +ATOM 216 CD GLN G 169 -46.628 -15.261 47.081 1.00 4.67 C +ATOM 217 OE1 GLN G 169 -45.651 -14.545 47.309 1.00 5.18 O +ATOM 218 NE2 GLN G 169 -46.705 -16.521 47.497 1.00 4.64 N +ATOM 219 N VAL G 170 -49.549 -10.454 46.695 1.00 3.89 N +ATOM 220 CA VAL G 170 -50.121 -9.339 47.460 1.00 3.83 C +ATOM 221 C VAL G 170 -51.511 -8.960 46.945 1.00 3.84 C +ATOM 222 O VAL G 170 -52.433 -8.754 47.737 1.00 3.94 O +ATOM 223 CB VAL G 170 -49.211 -8.087 47.436 1.00 3.88 C +ATOM 224 CG1 VAL G 170 -49.881 -6.924 48.163 1.00 3.70 C +ATOM 225 CG2 VAL G 170 -47.850 -8.394 48.057 1.00 3.66 C +ATOM 226 N LEU G 171 -51.662 -8.879 45.625 1.00 3.78 N +ATOM 227 CA LEU G 171 -52.949 -8.510 45.027 1.00 3.83 C +ATOM 228 C LEU G 171 -54.008 -9.603 45.204 1.00 3.79 C +ATOM 229 O LEU G 171 -55.132 -9.315 45.612 1.00 3.82 O +ATOM 230 CB LEU G 171 -52.787 -8.172 43.539 1.00 3.83 C +ATOM 231 CG LEU G 171 -51.893 -6.973 43.198 1.00 4.09 C +ATOM 232 CD1 LEU G 171 -51.884 -6.733 41.694 1.00 4.09 C +ATOM 233 CD2 LEU G 171 -52.332 -5.710 43.936 1.00 4.03 C +ATOM 234 N ASN G 172 -53.643 -10.850 44.914 1.00 3.77 N +ATOM 235 CA ASN G 172 -54.604 -11.961 44.911 1.00 3.77 C +ATOM 236 C ASN G 172 -54.690 -12.741 46.230 1.00 3.75 C +ATOM 237 O ASN G 172 -55.059 -13.919 46.232 1.00 3.76 O +ATOM 238 CB ASN G 172 -54.292 -12.924 43.754 1.00 3.76 C +ATOM 239 CG ASN G 172 -54.286 -12.233 42.399 1.00 3.72 C +ATOM 240 OD1 ASN G 172 -54.729 -11.092 42.264 1.00 3.32 O +ATOM 241 ND2 ASN G 172 -53.785 -12.929 41.385 1.00 3.90 N +ATOM 242 N SER G 173 -54.361 -12.088 47.345 1.00 3.69 N +ATOM 243 CA SER G 173 -54.497 -12.704 48.670 1.00 3.62 C +ATOM 244 C SER G 173 -54.626 -11.661 49.786 1.00 3.59 C +ATOM 245 O SER G 173 -55.671 -11.569 50.432 1.00 3.56 O +ATOM 246 CB SER G 173 -53.325 -13.651 48.951 1.00 3.61 C +ATOM 247 OG SER G 173 -53.565 -14.430 50.109 1.00 3.55 O +ATOM 248 N VAL G 174 -53.570 -10.877 50.004 1.00 3.53 N +ATOM 249 CA VAL G 174 -53.555 -9.862 51.064 1.00 3.50 C +ATOM 250 C VAL G 174 -54.568 -8.754 50.786 1.00 3.46 C +ATOM 251 O VAL G 174 -55.263 -8.302 51.697 1.00 3.42 O +ATOM 252 CB VAL G 174 -52.147 -9.228 51.240 1.00 3.55 C +ATOM 253 CG1 VAL G 174 -52.200 -8.019 52.172 1.00 3.44 C +ATOM 254 CG2 VAL G 174 -51.154 -10.258 51.764 1.00 3.52 C +ATOM 255 N LEU G 175 -54.639 -8.320 49.530 1.00 3.41 N +ATOM 256 CA LEU G 175 -55.569 -7.270 49.115 1.00 3.39 C +ATOM 257 C LEU G 175 -56.633 -7.818 48.159 1.00 3.38 C +ATOM 258 O LEU G 175 -57.051 -7.136 47.222 1.00 3.32 O +ATOM 259 CB LEU G 175 -54.803 -6.114 48.458 1.00 3.37 C +ATOM 260 CG LEU G 175 -53.592 -5.558 49.218 1.00 3.30 C +ATOM 261 CD1 LEU G 175 -53.072 -4.309 48.528 1.00 3.13 C +ATOM 262 CD2 LEU G 175 -53.927 -5.258 50.671 1.00 3.20 C +ATOM 263 N ARG G 176 -57.078 -9.047 48.413 1.00 3.37 N +ATOM 264 CA ARG G 176 -58.091 -9.696 47.577 1.00 3.36 C +ATOM 265 C ARG G 176 -59.451 -9.001 47.685 1.00 3.35 C +ATOM 266 O ARG G 176 -60.219 -8.977 46.722 1.00 3.27 O +ATOM 267 CB ARG G 176 -58.224 -11.179 47.953 1.00 3.35 C +ATOM 268 CG ARG G 176 -59.249 -11.970 47.138 1.00 3.20 C +ATOM 269 CD ARG G 176 -58.927 -11.976 45.650 1.00 3.15 C +ATOM 270 NE ARG G 176 -59.970 -12.635 44.865 1.00 3.10 N +ATOM 271 CZ ARG G 176 -61.137 -12.086 44.528 1.00 2.89 C +ATOM 272 NH1 ARG G 176 -61.452 -10.847 44.899 1.00 2.78 N +ATOM 273 NH2 ARG G 176 -62.005 -12.788 43.812 1.00 2.79 N +ATOM 274 N GLU G 177 -59.729 -8.423 48.852 1.00 3.36 N +ATOM 275 CA GLU G 177 -61.010 -7.758 49.124 1.00 3.39 C +ATOM 276 C GLU G 177 -61.197 -6.400 48.426 1.00 3.44 C +ATOM 277 O GLU G 177 -62.247 -5.772 48.576 1.00 3.50 O +ATOM 278 CB GLU G 177 -61.207 -7.590 50.637 1.00 3.36 C +ATOM 279 CG GLU G 177 -60.243 -6.615 51.300 1.00 3.32 C +ATOM 280 CD GLU G 177 -60.344 -6.635 52.808 1.00 3.16 C +ATOM 281 OE1 GLU G 177 -61.219 -5.931 53.354 1.00 3.18 O +ATOM 282 OE2 GLU G 177 -59.544 -7.345 53.449 1.00 2.97 O +ATOM 283 N PHE G 178 -60.190 -5.953 47.678 1.00 3.48 N +ATOM 284 CA PHE G 178 -60.263 -4.697 46.928 1.00 3.51 C +ATOM 285 C PHE G 178 -60.144 -4.960 45.430 1.00 3.50 C +ATOM 286 O PHE G 178 -59.552 -5.956 45.015 1.00 3.52 O +ATOM 287 CB PHE G 178 -59.151 -3.748 47.379 1.00 3.53 C +ATOM 288 CG PHE G 178 -59.053 -3.602 48.871 1.00 3.57 C +ATOM 289 CD1 PHE G 178 -59.884 -2.720 49.552 1.00 3.55 C +ATOM 290 CD2 PHE G 178 -58.139 -4.355 49.597 1.00 3.49 C +ATOM 291 CE1 PHE G 178 -59.801 -2.587 50.932 1.00 3.57 C +ATOM 292 CE2 PHE G 178 -58.048 -4.227 50.977 1.00 3.50 C +ATOM 293 CZ PHE G 178 -58.881 -3.343 51.646 1.00 3.52 C +ATOM 294 N THR G 179 -60.707 -4.065 44.623 1.00 3.50 N +ATOM 295 CA THR G 179 -60.655 -4.196 43.165 1.00 3.52 C +ATOM 296 C THR G 179 -59.305 -3.734 42.614 1.00 3.50 C +ATOM 297 O THR G 179 -58.628 -2.910 43.226 1.00 3.53 O +ATOM 298 CB THR G 179 -61.785 -3.396 42.480 1.00 3.56 C +ATOM 299 OG1 THR G 179 -61.784 -2.047 42.962 1.00 3.59 O +ATOM 300 CG2 THR G 179 -63.136 -4.029 42.766 1.00 3.37 C +ATOM 301 N LEU G 180 -58.927 -4.272 41.456 1.00 3.50 N +ATOM 302 CA LEU G 180 -57.651 -3.941 40.810 1.00 3.49 C +ATOM 303 C LEU G 180 -57.524 -2.449 40.506 1.00 3.58 C +ATOM 304 O LEU G 180 -56.446 -1.869 40.659 1.00 3.63 O +ATOM 305 CB LEU G 180 -57.477 -4.737 39.511 1.00 3.42 C +ATOM 306 CG LEU G 180 -57.317 -6.255 39.630 1.00 3.31 C +ATOM 307 CD1 LEU G 180 -57.281 -6.884 38.248 1.00 3.02 C +ATOM 308 CD2 LEU G 180 -56.068 -6.624 40.417 1.00 3.06 C +ATOM 309 N GLN G 181 -58.625 -1.840 40.073 1.00 3.65 N +ATOM 310 CA GLN G 181 -58.652 -0.412 39.748 1.00 3.73 C +ATOM 311 C GLN G 181 -58.466 0.451 41.000 1.00 3.72 C +ATOM 312 O GLN G 181 -57.807 1.491 40.951 1.00 3.70 O +ATOM 313 CB GLN G 181 -59.964 -0.053 39.038 1.00 3.75 C +ATOM 314 CG GLN G 181 -59.961 1.313 38.339 1.00 3.94 C +ATOM 315 CD GLN G 181 -60.448 2.452 39.226 1.00 4.25 C +ATOM 316 OE1 GLN G 181 -59.783 3.483 39.353 1.00 4.27 O +ATOM 317 NE2 GLN G 181 -61.617 2.272 39.837 1.00 4.43 N +ATOM 318 N GLN G 182 -59.046 0.008 42.114 1.00 3.75 N +ATOM 319 CA GLN G 182 -58.931 0.709 43.396 1.00 3.76 C +ATOM 320 C GLN G 182 -57.499 0.676 43.932 1.00 3.71 C +ATOM 321 O GLN G 182 -57.015 1.664 44.487 1.00 3.66 O +ATOM 322 CB GLN G 182 -59.889 0.095 44.426 1.00 3.80 C +ATOM 323 CG GLN G 182 -59.867 0.770 45.797 1.00 4.00 C +ATOM 324 CD GLN G 182 -60.929 0.233 46.748 1.00 4.27 C +ATOM 325 OE1 GLN G 182 -61.723 -0.648 46.396 1.00 4.38 O +ATOM 326 NE2 GLN G 182 -60.945 0.768 47.968 1.00 4.23 N +ATOM 327 N ILE G 183 -56.837 -0.466 43.772 1.00 3.67 N +ATOM 328 CA ILE G 183 -55.448 -0.626 44.195 1.00 3.65 C +ATOM 329 C ILE G 183 -54.536 0.314 43.405 1.00 3.71 C +ATOM 330 O ILE G 183 -53.687 0.993 43.984 1.00 3.73 O +ATOM 331 CB ILE G 183 -54.970 -2.087 44.030 1.00 3.62 C +ATOM 332 CG1 ILE G 183 -55.689 -2.997 45.029 1.00 3.55 C +ATOM 333 CG2 ILE G 183 -53.467 -2.194 44.240 1.00 3.49 C +ATOM 334 CD1 ILE G 183 -55.434 -4.476 44.804 1.00 3.27 C +ATOM 335 N ASN G 184 -54.725 0.356 42.088 1.00 3.74 N +ATOM 336 CA ASN G 184 -53.940 1.238 41.220 1.00 3.79 C +ATOM 337 C ASN G 184 -54.250 2.722 41.425 1.00 3.75 C +ATOM 338 O ASN G 184 -53.403 3.575 41.155 1.00 3.76 O +ATOM 339 CB ASN G 184 -54.138 0.862 39.746 1.00 3.82 C +ATOM 340 CG ASN G 184 -53.485 -0.466 39.385 1.00 4.03 C +ATOM 341 OD1 ASN G 184 -52.613 -0.968 40.102 1.00 4.24 O +ATOM 342 ND2 ASN G 184 -53.903 -1.038 38.260 1.00 4.19 N +ATOM 343 N THR G 185 -55.460 3.025 41.895 1.00 3.75 N +ATOM 344 CA THR G 185 -55.840 4.403 42.224 1.00 3.73 C +ATOM 345 C THR G 185 -55.063 4.900 43.443 1.00 3.69 C +ATOM 346 O THR G 185 -54.604 6.043 43.470 1.00 3.70 O +ATOM 347 CB THR G 185 -57.357 4.533 42.499 1.00 3.72 C +ATOM 348 OG1 THR G 185 -58.093 4.160 41.328 1.00 3.78 O +ATOM 349 CG2 THR G 185 -57.722 5.964 42.882 1.00 3.69 C +ATOM 350 N VAL G 186 -54.924 4.035 44.445 1.00 3.64 N +ATOM 351 CA VAL G 186 -54.144 4.346 45.643 1.00 3.59 C +ATOM 352 C VAL G 186 -52.644 4.348 45.344 1.00 3.59 C +ATOM 353 O VAL G 186 -51.897 5.143 45.915 1.00 3.57 O +ATOM 354 CB VAL G 186 -54.443 3.353 46.785 1.00 3.58 C +ATOM 355 CG1 VAL G 186 -53.525 3.599 47.976 1.00 3.52 C +ATOM 356 CG2 VAL G 186 -55.901 3.462 47.207 1.00 3.58 C +ATOM 357 N CYS G 187 -52.207 3.465 44.448 1.00 3.59 N +ATOM 358 CA CYS G 187 -50.797 3.410 44.046 1.00 3.60 C +ATOM 359 C CYS G 187 -50.344 4.710 43.373 1.00 3.61 C +ATOM 360 O CYS G 187 -49.249 5.198 43.643 1.00 3.55 O +ATOM 361 CB CYS G 187 -50.536 2.214 43.127 1.00 3.60 C +ATOM 362 SG CYS G 187 -50.511 0.620 43.987 1.00 3.57 S +ATOM 363 N ASP G 188 -51.191 5.261 42.504 1.00 3.64 N +ATOM 364 CA ASP G 188 -50.931 6.569 41.884 1.00 3.65 C +ATOM 365 C ASP G 188 -51.015 7.713 42.897 1.00 3.62 C +ATOM 366 O ASP G 188 -50.332 8.727 42.753 1.00 3.60 O +ATOM 367 CB ASP G 188 -51.912 6.830 40.732 1.00 3.66 C +ATOM 368 CG ASP G 188 -51.611 5.992 39.498 1.00 3.74 C +ATOM 369 OD1 ASP G 188 -52.238 6.243 38.446 1.00 3.86 O +ATOM 370 OD2 ASP G 188 -50.752 5.087 39.573 1.00 3.83 O +ATOM 371 N GLU G 189 -51.860 7.544 43.911 1.00 3.61 N +ATOM 372 CA GLU G 189 -52.017 8.533 44.976 1.00 3.63 C +ATOM 373 C GLU G 189 -50.787 8.564 45.883 1.00 3.64 C +ATOM 374 O GLU G 189 -50.251 9.633 46.178 1.00 3.65 O +ATOM 375 CB GLU G 189 -53.274 8.226 45.793 1.00 3.64 C +ATOM 376 CG GLU G 189 -53.656 9.302 46.802 1.00 3.65 C +ATOM 377 CD GLU G 189 -55.109 9.201 47.258 1.00 3.61 C +ATOM 378 OE1 GLU G 189 -55.734 8.134 47.060 1.00 3.18 O +ATOM 379 OE2 GLU G 189 -55.625 10.194 47.816 1.00 3.56 O +ATOM 380 N LEU G 190 -50.340 7.384 46.307 1.00 3.65 N +ATOM 381 CA LEU G 190 -49.155 7.250 47.162 1.00 3.66 C +ATOM 382 C LEU G 190 -47.840 7.166 46.366 1.00 3.69 C +ATOM 383 O LEU G 190 -46.765 7.019 46.953 1.00 3.67 O +ATOM 384 CB LEU G 190 -49.296 6.021 48.068 1.00 3.63 C +ATOM 385 CG LEU G 190 -50.573 5.933 48.913 1.00 3.62 C +ATOM 386 CD1 LEU G 190 -50.590 4.641 49.717 1.00 3.69 C +ATOM 387 CD2 LEU G 190 -50.721 7.136 49.831 1.00 3.51 C +ATOM 388 N TYR G 191 -47.936 7.259 45.039 1.00 3.70 N +ATOM 389 CA TYR G 191 -46.773 7.234 44.140 1.00 3.69 C +ATOM 390 C TYR G 191 -45.988 5.920 44.225 1.00 3.69 C +ATOM 391 O TYR G 191 -44.754 5.918 44.243 1.00 3.72 O +ATOM 392 CB TYR G 191 -45.859 8.440 44.395 1.00 3.69 C +ATOM 393 CG TYR G 191 -46.603 9.758 44.440 1.00 3.74 C +ATOM 394 CD1 TYR G 191 -46.818 10.419 45.648 1.00 3.77 C +ATOM 395 CD2 TYR G 191 -47.106 10.337 43.277 1.00 3.72 C +ATOM 396 CE1 TYR G 191 -47.504 11.627 45.696 1.00 3.72 C +ATOM 397 CE2 TYR G 191 -47.795 11.545 43.314 1.00 3.66 C +ATOM 398 CZ TYR G 191 -47.990 12.184 44.527 1.00 3.70 C +ATOM 399 OH TYR G 191 -48.671 13.379 44.574 1.00 3.69 O +ATOM 400 N ILE G 192 -46.721 4.809 44.275 1.00 3.66 N +ATOM 401 CA ILE G 192 -46.133 3.473 44.234 1.00 3.65 C +ATOM 402 C ILE G 192 -46.071 3.013 42.780 1.00 3.64 C +ATOM 403 O ILE G 192 -47.103 2.766 42.157 1.00 3.64 O +ATOM 404 CB ILE G 192 -46.965 2.447 45.042 1.00 3.69 C +ATOM 405 CG1 ILE G 192 -47.212 2.937 46.469 1.00 3.72 C +ATOM 406 CG2 ILE G 192 -46.260 1.101 45.079 1.00 3.74 C +ATOM 407 CD1 ILE G 192 -45.953 3.164 47.257 1.00 4.00 C +ATOM 408 N TYR G 193 -44.860 2.916 42.241 1.00 3.65 N +ATOM 409 CA TYR G 193 -44.650 2.428 40.881 1.00 3.68 C +ATOM 410 C TYR G 193 -43.945 1.080 40.940 1.00 3.69 C +ATOM 411 O TYR G 193 -42.738 1.005 41.172 1.00 3.68 O +ATOM 412 CB TYR G 193 -43.822 3.420 40.065 1.00 3.72 C +ATOM 413 CG TYR G 193 -44.455 4.787 39.914 1.00 3.81 C +ATOM 414 CD1 TYR G 193 -45.463 5.012 38.977 1.00 3.89 C +ATOM 415 CD2 TYR G 193 -44.036 5.860 40.698 1.00 3.81 C +ATOM 416 CE1 TYR G 193 -46.041 6.272 38.830 1.00 3.90 C +ATOM 417 CE2 TYR G 193 -44.606 7.120 40.560 1.00 3.82 C +ATOM 418 CZ TYR G 193 -45.606 7.320 39.626 1.00 3.87 C +ATOM 419 OH TYR G 193 -46.168 8.568 39.490 1.00 3.87 O +ATOM 420 N CYS G 194 -44.711 0.015 40.730 1.00 3.73 N +ATOM 421 CA CYS G 194 -44.190 -1.340 40.833 1.00 3.76 C +ATOM 422 C CYS G 194 -43.286 -1.680 39.654 1.00 3.70 C +ATOM 423 O CYS G 194 -43.614 -1.387 38.506 1.00 3.68 O +ATOM 424 CB CYS G 194 -45.344 -2.339 40.914 1.00 3.78 C +ATOM 425 SG CYS G 194 -46.339 -2.148 42.404 1.00 4.05 S +ATOM 426 N SER G 195 -42.146 -2.292 39.955 1.00 3.68 N +ATOM 427 CA SER G 195 -41.218 -2.750 38.929 1.00 3.66 C +ATOM 428 C SER G 195 -41.646 -4.121 38.400 1.00 3.66 C +ATOM 429 O SER G 195 -42.635 -4.695 38.859 1.00 3.60 O +ATOM 430 CB SER G 195 -39.792 -2.804 39.490 1.00 3.67 C +ATOM 431 OG SER G 195 -39.735 -3.578 40.673 1.00 3.72 O +ATOM 432 N ARG G 196 -40.901 -4.627 37.422 1.00 3.66 N +ATOM 433 CA ARG G 196 -41.158 -5.934 36.827 1.00 3.65 C +ATOM 434 C ARG G 196 -40.017 -6.896 37.131 1.00 3.66 C +ATOM 435 O ARG G 196 -38.886 -6.472 37.378 1.00 3.69 O +ATOM 436 CB ARG G 196 -41.313 -5.788 35.316 1.00 3.67 C +ATOM 437 CG ARG G 196 -42.578 -5.055 34.898 1.00 3.89 C +ATOM 438 CD ARG G 196 -43.764 -6.005 34.760 1.00 4.12 C +ATOM 439 NE ARG G 196 -43.605 -6.907 33.618 1.00 4.30 N +ATOM 440 CZ ARG G 196 -43.782 -6.564 32.341 1.00 4.45 C +ATOM 441 NH1 ARG G 196 -44.130 -5.323 32.006 1.00 4.40 N +ATOM 442 NH2 ARG G 196 -43.607 -7.473 31.384 1.00 4.58 N +ATOM 443 N CYS G 197 -40.322 -8.190 37.112 1.00 3.65 N +ATOM 444 CA CYS G 197 -39.309 -9.226 37.317 1.00 3.69 C +ATOM 445 C CYS G 197 -38.391 -9.328 36.106 1.00 3.60 C +ATOM 446 O CYS G 197 -38.811 -9.073 34.976 1.00 3.51 O +ATOM 447 CB CYS G 197 -39.964 -10.593 37.563 1.00 3.73 C +ATOM 448 SG CYS G 197 -40.755 -10.792 39.178 1.00 4.09 S +ATOM 449 N THR G 198 -37.139 -9.707 36.345 1.00 3.58 N +ATOM 450 CA THR G 198 -36.214 -10.009 35.256 1.00 3.59 C +ATOM 451 C THR G 198 -36.567 -11.378 34.679 1.00 3.57 C +ATOM 452 O THR G 198 -37.459 -12.061 35.183 1.00 3.59 O +ATOM 453 CB THR G 198 -34.742 -10.006 35.725 1.00 3.60 C +ATOM 454 OG1 THR G 198 -34.538 -11.035 36.699 1.00 3.74 O +ATOM 455 CG2 THR G 198 -34.365 -8.656 36.325 1.00 3.43 C +ATOM 456 N SER G 199 -35.877 -11.768 33.613 1.00 3.58 N +ATOM 457 CA SER G 199 -36.069 -13.089 33.011 1.00 3.49 C +ATOM 458 C SER G 199 -35.689 -14.197 33.996 1.00 3.44 C +ATOM 459 O SER G 199 -36.368 -15.217 34.086 1.00 3.31 O +ATOM 460 CB SER G 199 -35.238 -13.215 31.732 1.00 3.50 C +ATOM 461 OG SER G 199 -35.464 -14.456 31.093 1.00 3.47 O +ATOM 462 N ASP G 200 -34.605 -13.980 34.739 1.00 3.45 N +ATOM 463 CA ASP G 200 -34.148 -14.934 35.748 1.00 3.47 C +ATOM 464 C ASP G 200 -35.147 -15.040 36.902 1.00 3.50 C +ATOM 465 O ASP G 200 -35.542 -16.139 37.295 1.00 3.46 O +ATOM 466 CB ASP G 200 -32.779 -14.518 36.298 1.00 3.46 C +ATOM 467 CG ASP G 200 -31.686 -14.525 35.237 1.00 3.58 C +ATOM 468 OD1 ASP G 200 -30.719 -13.745 35.381 1.00 3.76 O +ATOM 469 OD2 ASP G 200 -31.787 -15.302 34.264 1.00 3.60 O +ATOM 470 N GLN G 201 -35.555 -13.888 37.428 1.00 3.44 N +ATOM 471 CA GLN G 201 -36.446 -13.825 38.586 1.00 3.41 C +ATOM 472 C GLN G 201 -37.780 -14.531 38.354 1.00 3.36 C +ATOM 473 O GLN G 201 -38.224 -15.310 39.195 1.00 3.36 O +ATOM 474 CB GLN G 201 -36.690 -12.369 38.986 1.00 3.39 C +ATOM 475 CG GLN G 201 -35.503 -11.723 39.684 1.00 3.48 C +ATOM 476 CD GLN G 201 -35.666 -10.226 39.890 1.00 3.36 C +ATOM 477 OE1 GLN G 201 -36.513 -9.583 39.266 1.00 3.11 O +ATOM 478 NE2 GLN G 201 -34.847 -9.664 40.768 1.00 3.10 N +ATOM 479 N LEU G 202 -38.412 -14.254 37.218 1.00 3.33 N +ATOM 480 CA LEU G 202 -39.684 -14.886 36.863 1.00 3.26 C +ATOM 481 C LEU G 202 -39.559 -16.405 36.856 1.00 3.27 C +ATOM 482 O LEU G 202 -40.406 -17.114 37.411 1.00 3.20 O +ATOM 483 CB LEU G 202 -40.162 -14.404 35.489 1.00 3.29 C +ATOM 484 CG LEU G 202 -41.494 -14.965 34.973 1.00 3.04 C +ATOM 485 CD1 LEU G 202 -42.607 -14.705 35.968 1.00 2.84 C +ATOM 486 CD2 LEU G 202 -41.839 -14.367 33.620 1.00 2.65 C +ATOM 487 N HIS G 203 -38.496 -16.895 36.227 1.00 3.27 N +ATOM 488 CA HIS G 203 -38.253 -18.331 36.141 1.00 3.31 C +ATOM 489 C HIS G 203 -37.994 -18.952 37.518 1.00 3.40 C +ATOM 490 O HIS G 203 -38.398 -20.091 37.772 1.00 3.34 O +ATOM 491 CB HIS G 203 -37.089 -18.634 35.197 1.00 3.27 C +ATOM 492 CG HIS G 203 -37.045 -20.058 34.744 1.00 3.04 C +ATOM 493 ND1 HIS G 203 -36.208 -20.993 35.311 1.00 2.91 N +ATOM 494 CD2 HIS G 203 -37.753 -20.711 33.794 1.00 2.94 C +ATOM 495 CE1 HIS G 203 -36.394 -22.160 34.722 1.00 2.84 C +ATOM 496 NE2 HIS G 203 -37.327 -22.016 33.799 1.00 2.93 N +ATOM 497 N ILE G 204 -37.330 -18.203 38.400 1.00 3.41 N +ATOM 498 CA ILE G 204 -37.091 -18.658 39.772 1.00 3.43 C +ATOM 499 C ILE G 204 -38.400 -18.816 40.546 1.00 3.36 C +ATOM 500 O ILE G 204 -38.556 -19.767 41.304 1.00 3.35 O +ATOM 501 CB ILE G 204 -36.135 -17.715 40.543 1.00 3.44 C +ATOM 502 CG1 ILE G 204 -34.724 -17.825 39.979 1.00 3.48 C +ATOM 503 CG2 ILE G 204 -36.090 -18.078 42.023 1.00 3.31 C +ATOM 504 CD1 ILE G 204 -33.815 -16.715 40.422 1.00 3.99 C +ATOM 505 N LEU G 205 -39.335 -17.891 40.347 1.00 3.40 N +ATOM 506 CA LEU G 205 -40.647 -17.970 40.999 1.00 3.45 C +ATOM 507 C LEU G 205 -41.472 -19.155 40.493 1.00 3.48 C +ATOM 508 O LEU G 205 -42.346 -19.654 41.202 1.00 3.51 O +ATOM 509 CB LEU G 205 -41.432 -16.666 40.809 1.00 3.47 C +ATOM 510 CG LEU G 205 -41.001 -15.482 41.678 1.00 3.51 C +ATOM 511 CD1 LEU G 205 -41.639 -14.191 41.193 1.00 3.69 C +ATOM 512 CD2 LEU G 205 -41.346 -15.731 43.139 1.00 3.35 C +ATOM 513 N LYS G 206 -41.196 -19.596 39.268 1.00 3.48 N +ATOM 514 CA LYS G 206 -41.835 -20.786 38.708 1.00 3.45 C +ATOM 515 C LYS G 206 -41.161 -22.056 39.225 1.00 3.51 C +ATOM 516 O LYS G 206 -41.828 -22.959 39.725 1.00 3.52 O +ATOM 517 CB LYS G 206 -41.787 -20.752 37.176 1.00 3.45 C +ATOM 518 CG LYS G 206 -42.629 -19.644 36.543 1.00 3.26 C +ATOM 519 CD LYS G 206 -42.278 -19.438 35.072 1.00 3.06 C +ATOM 520 CE LYS G 206 -43.232 -18.460 34.399 1.00 2.82 C +ATOM 521 NZ LYS G 206 -42.970 -18.319 32.940 1.00 2.33 N +ATOM 522 N VAL G 207 -39.836 -22.114 39.112 1.00 3.62 N +ATOM 523 CA VAL G 207 -39.066 -23.297 39.525 1.00 3.67 C +ATOM 524 C VAL G 207 -39.256 -23.621 41.014 1.00 3.68 C +ATOM 525 O VAL G 207 -39.352 -24.793 41.388 1.00 3.63 O +ATOM 526 CB VAL G 207 -37.551 -23.144 39.196 1.00 3.66 C +ATOM 527 CG1 VAL G 207 -36.911 -22.076 40.060 1.00 3.91 C +ATOM 528 CG2 VAL G 207 -36.823 -24.465 39.375 1.00 3.68 C +ATOM 529 N LEU G 208 -39.331 -22.578 41.845 1.00 3.64 N +ATOM 530 CA LEU G 208 -39.587 -22.726 43.287 1.00 3.61 C +ATOM 531 C LEU G 208 -41.090 -22.730 43.622 1.00 3.57 C +ATOM 532 O LEU G 208 -41.479 -22.587 44.783 1.00 3.52 O +ATOM 533 CB LEU G 208 -38.843 -21.642 44.086 1.00 3.59 C +ATOM 534 CG LEU G 208 -37.396 -21.954 44.504 1.00 3.62 C +ATOM 535 CD1 LEU G 208 -36.655 -22.799 43.476 1.00 3.69 C +ATOM 536 CD2 LEU G 208 -36.626 -20.667 44.787 1.00 3.21 C +ATOM 537 N GLY G 209 -41.925 -22.889 42.596 1.00 3.58 N +ATOM 538 CA GLY G 209 -43.341 -23.228 42.768 1.00 3.54 C +ATOM 539 C GLY G 209 -44.291 -22.125 43.201 1.00 3.51 C +ATOM 540 O GLY G 209 -45.418 -22.410 43.590 1.00 3.50 O +ATOM 541 N ILE G 210 -43.858 -20.871 43.130 1.00 3.56 N +ATOM 542 CA ILE G 210 -44.703 -19.754 43.555 1.00 3.57 C +ATOM 543 C ILE G 210 -45.678 -19.363 42.451 1.00 3.61 C +ATOM 544 O ILE G 210 -46.877 -19.234 42.693 1.00 3.65 O +ATOM 545 CB ILE G 210 -43.870 -18.516 43.957 1.00 3.58 C +ATOM 546 CG1 ILE G 210 -42.837 -18.879 45.031 1.00 3.50 C +ATOM 547 CG2 ILE G 210 -44.782 -17.406 44.463 1.00 3.54 C +ATOM 548 CD1 ILE G 210 -43.427 -19.506 46.279 1.00 3.49 C +ATOM 549 N LEU G 211 -45.155 -19.173 41.242 1.00 3.69 N +ATOM 550 CA LEU G 211 -45.965 -18.776 40.092 1.00 3.70 C +ATOM 551 C LEU G 211 -46.207 -19.959 39.159 1.00 3.77 C +ATOM 552 O LEU G 211 -45.399 -20.888 39.111 1.00 3.88 O +ATOM 553 CB LEU G 211 -45.272 -17.651 39.315 1.00 3.70 C +ATOM 554 CG LEU G 211 -45.149 -16.298 40.018 1.00 3.59 C +ATOM 555 CD1 LEU G 211 -44.358 -15.329 39.154 1.00 3.65 C +ATOM 556 CD2 LEU G 211 -46.518 -15.723 40.340 1.00 3.52 C +ATOM 557 N PRO G 212 -47.327 -19.934 38.417 1.00 3.79 N +ATOM 558 CA PRO G 212 -47.555 -20.955 37.399 1.00 3.78 C +ATOM 559 C PRO G 212 -46.601 -20.768 36.220 1.00 3.79 C +ATOM 560 O PRO G 212 -46.230 -19.640 35.898 1.00 3.81 O +ATOM 561 CB PRO G 212 -49.007 -20.717 36.980 1.00 3.74 C +ATOM 562 CG PRO G 212 -49.266 -19.297 37.286 1.00 3.75 C +ATOM 563 CD PRO G 212 -48.430 -18.958 38.479 1.00 3.78 C +ATOM 564 N PHE G 213 -46.216 -21.867 35.581 1.00 3.82 N +ATOM 565 CA PHE G 213 -45.209 -21.822 34.515 1.00 3.79 C +ATOM 566 C PHE G 213 -45.651 -21.066 33.252 1.00 3.77 C +ATOM 567 O PHE G 213 -44.804 -20.653 32.460 1.00 3.80 O +ATOM 568 CB PHE G 213 -44.727 -23.235 34.157 1.00 3.83 C +ATOM 569 CG PHE G 213 -43.504 -23.665 34.922 1.00 3.69 C +ATOM 570 CD1 PHE G 213 -43.605 -24.082 36.242 1.00 3.54 C +ATOM 571 CD2 PHE G 213 -42.249 -23.643 34.322 1.00 3.56 C +ATOM 572 CE1 PHE G 213 -42.480 -24.478 36.953 1.00 3.57 C +ATOM 573 CE2 PHE G 213 -41.117 -24.038 35.025 1.00 3.70 C +ATOM 574 CZ PHE G 213 -41.233 -24.455 36.344 1.00 3.64 C +ATOM 575 N ASN G 214 -46.956 -20.888 33.059 1.00 3.79 N +ATOM 576 CA ASN G 214 -47.460 -20.092 31.931 1.00 3.77 C +ATOM 577 C ASN G 214 -47.243 -18.589 32.119 1.00 3.74 C +ATOM 578 O ASN G 214 -47.152 -17.852 31.137 1.00 3.74 O +ATOM 579 CB ASN G 214 -48.948 -20.364 31.679 1.00 3.75 C +ATOM 580 CG ASN G 214 -49.203 -21.721 31.031 1.00 3.86 C +ATOM 581 OD1 ASN G 214 -48.276 -22.399 30.583 1.00 4.21 O +ATOM 582 ND2 ASN G 214 -50.471 -22.117 30.974 1.00 3.37 N +ATOM 583 N ALA G 215 -47.161 -18.147 33.374 1.00 3.69 N +ATOM 584 CA ALA G 215 -47.052 -16.721 33.707 1.00 3.66 C +ATOM 585 C ALA G 215 -46.040 -15.989 32.820 1.00 3.67 C +ATOM 586 O ALA G 215 -44.836 -16.239 32.918 1.00 3.60 O +ATOM 587 CB ALA G 215 -46.679 -16.550 35.171 1.00 3.66 C +ATOM 588 N PRO G 216 -46.525 -15.081 31.955 1.00 3.66 N +ATOM 589 CA PRO G 216 -45.641 -14.386 31.017 1.00 3.71 C +ATOM 590 C PRO G 216 -44.745 -13.349 31.689 1.00 3.71 C +ATOM 591 O PRO G 216 -43.653 -13.064 31.197 1.00 3.74 O +ATOM 592 CB PRO G 216 -46.623 -13.701 30.063 1.00 3.73 C +ATOM 593 CG PRO G 216 -47.834 -13.463 30.884 1.00 3.65 C +ATOM 594 CD PRO G 216 -47.916 -14.601 31.856 1.00 3.59 C +ATOM 595 N SER G 217 -45.217 -12.789 32.797 1.00 3.77 N +ATOM 596 CA SER G 217 -44.471 -11.787 33.544 1.00 3.80 C +ATOM 597 C SER G 217 -44.945 -11.740 34.989 1.00 3.83 C +ATOM 598 O SER G 217 -45.934 -12.378 35.349 1.00 3.85 O +ATOM 599 CB SER G 217 -44.658 -10.414 32.906 1.00 3.81 C +ATOM 600 OG SER G 217 -46.013 -10.006 32.979 1.00 3.91 O +ATOM 601 N CYS G 218 -44.236 -10.972 35.809 1.00 3.90 N +ATOM 602 CA CYS G 218 -44.584 -10.813 37.216 1.00 3.99 C +ATOM 603 C CYS G 218 -44.068 -9.482 37.743 1.00 3.89 C +ATOM 604 O CYS G 218 -42.935 -9.100 37.461 1.00 4.03 O +ATOM 605 CB CYS G 218 -43.996 -11.957 38.036 1.00 4.05 C +ATOM 606 SG CYS G 218 -44.427 -11.907 39.788 1.00 4.77 S +ATOM 607 N GLY G 219 -44.906 -8.784 38.503 1.00 3.81 N +ATOM 608 CA GLY G 219 -44.547 -7.487 39.068 1.00 3.79 C +ATOM 609 C GLY G 219 -43.962 -7.612 40.462 1.00 3.76 C +ATOM 610 O GLY G 219 -44.152 -8.627 41.136 1.00 3.86 O +ATOM 611 N LEU G 220 -43.249 -6.574 40.890 1.00 3.65 N +ATOM 612 CA LEU G 220 -42.678 -6.524 42.233 1.00 3.62 C +ATOM 613 C LEU G 220 -42.970 -5.189 42.910 1.00 3.60 C +ATOM 614 O LEU G 220 -42.977 -4.142 42.264 1.00 3.58 O +ATOM 615 CB LEU G 220 -41.166 -6.747 42.189 1.00 3.63 C +ATOM 616 CG LEU G 220 -40.677 -8.095 41.656 1.00 3.61 C +ATOM 617 CD1 LEU G 220 -39.153 -8.072 41.501 1.00 3.15 C +ATOM 618 CD2 LEU G 220 -41.121 -9.240 42.556 1.00 3.08 C +ATOM 619 N ILE G 221 -43.208 -5.248 44.218 1.00 3.56 N +ATOM 620 CA ILE G 221 -43.428 -4.062 45.043 1.00 3.49 C +ATOM 621 C ILE G 221 -42.538 -4.184 46.275 1.00 3.46 C +ATOM 622 O ILE G 221 -42.408 -5.267 46.844 1.00 3.36 O +ATOM 623 CB ILE G 221 -44.920 -3.925 45.448 1.00 3.54 C +ATOM 624 CG1 ILE G 221 -45.170 -2.603 46.176 1.00 3.59 C +ATOM 625 CG2 ILE G 221 -45.379 -5.110 46.309 1.00 3.52 C +ATOM 626 CD1 ILE G 221 -46.629 -2.372 46.519 1.00 3.64 C +ATOM 627 N THR G 222 -41.905 -3.083 46.673 1.00 3.49 N +ATOM 628 CA THR G 222 -41.010 -3.109 47.828 1.00 3.44 C +ATOM 629 C THR G 222 -41.813 -3.314 49.110 1.00 3.43 C +ATOM 630 O THR G 222 -42.941 -2.840 49.222 1.00 3.34 O +ATOM 631 CB THR G 222 -40.159 -1.827 47.944 1.00 3.42 C +ATOM 632 OG1 THR G 222 -41.005 -0.674 47.903 1.00 3.37 O +ATOM 633 CG2 THR G 222 -39.142 -1.750 46.811 1.00 3.51 C +ATOM 634 N LEU G 223 -41.225 -4.038 50.060 1.00 3.47 N +ATOM 635 CA LEU G 223 -41.838 -4.289 51.369 1.00 3.52 C +ATOM 636 C LEU G 223 -42.307 -2.992 52.016 1.00 3.52 C +ATOM 637 O LEU G 223 -43.367 -2.949 52.637 1.00 3.62 O +ATOM 638 CB LEU G 223 -40.839 -5.000 52.292 1.00 3.55 C +ATOM 639 CG LEU G 223 -41.268 -5.338 53.726 1.00 3.59 C +ATOM 640 CD1 LEU G 223 -40.535 -6.571 54.227 1.00 3.74 C +ATOM 641 CD2 LEU G 223 -41.025 -4.172 54.665 1.00 3.55 C +ATOM 642 N THR G 224 -41.505 -1.942 51.862 1.00 3.50 N +ATOM 643 CA THR G 224 -41.812 -0.630 52.428 1.00 3.51 C +ATOM 644 C THR G 224 -43.029 0.017 51.750 1.00 3.52 C +ATOM 645 O THR G 224 -43.928 0.516 52.431 1.00 3.51 O +ATOM 646 CB THR G 224 -40.572 0.317 52.390 1.00 3.47 C +ATOM 647 OG1 THR G 224 -40.946 1.622 52.842 1.00 3.51 O +ATOM 648 CG2 THR G 224 -39.977 0.422 50.987 1.00 3.43 C +ATOM 649 N ASP G 225 -43.063 -0.009 50.419 1.00 3.52 N +ATOM 650 CA ASP G 225 -44.199 0.535 49.662 1.00 3.56 C +ATOM 651 C ASP G 225 -45.448 -0.347 49.787 1.00 3.60 C +ATOM 652 O ASP G 225 -46.577 0.151 49.755 1.00 3.58 O +ATOM 653 CB ASP G 225 -43.833 0.703 48.181 1.00 3.57 C +ATOM 654 CG ASP G 225 -42.929 1.904 47.925 1.00 3.64 C +ATOM 655 OD1 ASP G 225 -42.487 2.556 48.895 1.00 4.08 O +ATOM 656 OD2 ASP G 225 -42.665 2.201 46.740 1.00 3.57 O +ATOM 657 N ALA G 226 -45.234 -1.654 49.918 1.00 3.54 N +ATOM 658 CA ALA G 226 -46.321 -2.609 50.107 1.00 3.53 C +ATOM 659 C ALA G 226 -47.069 -2.353 51.413 1.00 3.50 C +ATOM 660 O ALA G 226 -48.292 -2.459 51.464 1.00 3.46 O +ATOM 661 CB ALA G 226 -45.780 -4.032 50.078 1.00 3.54 C +ATOM 662 N GLN G 227 -46.326 -2.018 52.464 1.00 3.54 N +ATOM 663 CA GLN G 227 -46.921 -1.725 53.770 1.00 3.53 C +ATOM 664 C GLN G 227 -47.694 -0.398 53.772 1.00 3.58 C +ATOM 665 O GLN G 227 -48.717 -0.283 54.451 1.00 3.52 O +ATOM 666 CB GLN G 227 -45.853 -1.746 54.870 1.00 3.47 C +ATOM 667 CG GLN G 227 -45.402 -3.160 55.260 1.00 3.35 C +ATOM 668 CD GLN G 227 -44.137 -3.184 56.119 1.00 3.33 C +ATOM 669 OE1 GLN G 227 -43.513 -2.150 56.366 1.00 3.02 O +ATOM 670 NE2 GLN G 227 -43.756 -4.374 56.574 1.00 3.15 N +ATOM 671 N ARG G 228 -47.216 0.590 53.013 1.00 3.61 N +ATOM 672 CA ARG G 228 -47.945 1.857 52.848 1.00 3.63 C +ATOM 673 C ARG G 228 -49.280 1.635 52.148 1.00 3.63 C +ATOM 674 O ARG G 228 -50.291 2.225 52.527 1.00 3.63 O +ATOM 675 CB ARG G 228 -47.135 2.880 52.044 1.00 3.65 C +ATOM 676 CG ARG G 228 -45.936 3.478 52.774 1.00 3.80 C +ATOM 677 CD ARG G 228 -45.821 4.999 52.564 1.00 3.88 C +ATOM 678 NE ARG G 228 -46.061 5.421 51.181 1.00 3.74 N +ATOM 679 CZ ARG G 228 -45.192 5.296 50.178 1.00 3.69 C +ATOM 680 NH1 ARG G 228 -43.995 4.746 50.373 1.00 3.91 N +ATOM 681 NH2 ARG G 228 -45.523 5.719 48.964 1.00 3.47 N +ATOM 682 N LEU G 229 -49.271 0.793 51.119 1.00 3.66 N +ATOM 683 CA LEU G 229 -50.484 0.476 50.366 1.00 3.65 C +ATOM 684 C LEU G 229 -51.506 -0.248 51.234 1.00 3.65 C +ATOM 685 O LEU G 229 -52.700 0.046 51.166 1.00 3.66 O +ATOM 686 CB LEU G 229 -50.151 -0.375 49.135 1.00 3.65 C +ATOM 687 CG LEU G 229 -51.326 -0.794 48.245 1.00 3.56 C +ATOM 688 CD1 LEU G 229 -52.222 0.392 47.922 1.00 3.47 C +ATOM 689 CD2 LEU G 229 -50.815 -1.443 46.969 1.00 3.44 C +ATOM 690 N CYS G 230 -51.034 -1.195 52.042 1.00 3.65 N +ATOM 691 CA CYS G 230 -51.908 -1.937 52.949 1.00 3.70 C +ATOM 692 C CYS G 230 -52.493 -1.025 54.020 1.00 3.71 C +ATOM 693 O CYS G 230 -53.680 -1.116 54.326 1.00 3.74 O +ATOM 694 CB CYS G 230 -51.163 -3.104 53.602 1.00 3.71 C +ATOM 695 SG CYS G 230 -50.815 -4.475 52.478 1.00 3.76 S +ATOM 696 N ASN G 231 -51.659 -0.148 54.579 1.00 3.72 N +ATOM 697 CA ASN G 231 -52.114 0.842 55.560 1.00 3.74 C +ATOM 698 C ASN G 231 -53.276 1.680 55.022 1.00 3.73 C +ATOM 699 O ASN G 231 -54.322 1.799 55.663 1.00 3.64 O +ATOM 700 CB ASN G 231 -50.971 1.783 55.959 1.00 3.79 C +ATOM 701 CG ASN G 231 -49.900 1.103 56.802 1.00 3.89 C +ATOM 702 OD1 ASN G 231 -50.144 0.096 57.465 1.00 4.39 O +ATOM 703 ND2 ASN G 231 -48.701 1.665 56.780 1.00 3.88 N +ATOM 704 N ALA G 232 -53.078 2.250 53.838 1.00 3.73 N +ATOM 705 CA ALA G 232 -54.082 3.106 53.204 1.00 3.72 C +ATOM 706 C ALA G 232 -55.388 2.362 52.908 1.00 3.72 C +ATOM 707 O ALA G 232 -56.475 2.885 53.161 1.00 3.74 O +ATOM 708 CB ALA G 232 -53.521 3.712 51.924 1.00 3.72 C +ATOM 709 N LEU G 233 -55.276 1.142 52.386 1.00 3.68 N +ATOM 710 CA LEU G 233 -56.451 0.368 51.963 1.00 3.64 C +ATOM 711 C LEU G 233 -57.207 -0.327 53.101 1.00 3.63 C +ATOM 712 O LEU G 233 -58.426 -0.493 53.014 1.00 3.65 O +ATOM 713 CB LEU G 233 -56.054 -0.671 50.907 1.00 3.61 C +ATOM 714 CG LEU G 233 -55.746 -0.121 49.513 1.00 3.54 C +ATOM 715 CD1 LEU G 233 -55.120 -1.199 48.643 1.00 3.55 C +ATOM 716 CD2 LEU G 233 -57.006 0.431 48.860 1.00 3.53 C +ATOM 717 N LEU G 234 -56.496 -0.737 54.152 1.00 3.60 N +ATOM 718 CA LEU G 234 -57.095 -1.530 55.236 1.00 3.59 C +ATOM 719 C LEU G 234 -57.513 -0.705 56.454 1.00 3.60 C +ATOM 720 O LEU G 234 -58.549 -0.981 57.061 1.00 3.57 O +ATOM 721 CB LEU G 234 -56.141 -2.646 55.671 1.00 3.60 C +ATOM 722 CG LEU G 234 -55.883 -3.748 54.638 1.00 3.63 C +ATOM 723 CD1 LEU G 234 -54.639 -4.551 54.995 1.00 3.56 C +ATOM 724 CD2 LEU G 234 -57.097 -4.661 54.512 1.00 3.57 C +ATOM 725 N ARG G 235 -56.713 0.297 56.816 1.00 3.67 N +ATOM 726 CA ARG G 235 -57.006 1.124 57.992 1.00 3.71 C +ATOM 727 C ARG G 235 -57.898 2.305 57.614 1.00 3.69 C +ATOM 728 O ARG G 235 -58.854 2.172 56.849 1.00 3.53 O +ATOM 729 CB ARG G 235 -55.726 1.645 58.649 1.00 3.71 C +ATOM 730 CG ARG G 235 -54.572 0.643 58.766 1.00 4.04 C +ATOM 731 CD ARG G 235 -54.974 -0.703 59.360 1.00 4.11 C +ATOM 732 NE ARG G 235 -53.799 -1.477 59.783 1.00 4.16 N +ATOM 733 CZ ARG G 235 -52.943 -2.093 58.962 1.00 4.07 C +ATOM 734 NH1 ARG G 235 -51.914 -2.765 59.466 1.00 3.95 N +ATOM 735 NH2 ARG G 235 -53.098 -2.045 57.643 1.00 4.07 N Added: SwiftApps/modFTdock/input/indata/3eq5-8.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3eq5-8.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3eq5-8.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,754 @@ +ATOM 1 N THR H 142 -23.990 -54.175 49.639 1.00 3.88 N +ATOM 2 CA THR H 142 -23.413 -54.533 50.969 1.00 3.88 C +ATOM 3 C THR H 142 -22.377 -53.516 51.466 1.00 3.83 C +ATOM 4 O THR H 142 -21.859 -53.655 52.575 1.00 3.84 O +ATOM 5 CB THR H 142 -22.761 -55.941 50.936 1.00 3.92 C +ATOM 6 OG1 THR H 142 -21.856 -56.030 49.828 1.00 4.08 O +ATOM 7 CG2 THR H 142 -23.824 -57.029 50.809 1.00 3.90 C +ATOM 8 N GLU H 143 -22.082 -52.497 50.659 1.00 3.75 N +ATOM 9 CA GLU H 143 -21.072 -51.500 51.023 1.00 3.70 C +ATOM 10 C GLU H 143 -21.386 -50.099 50.512 1.00 3.68 C +ATOM 11 O GLU H 143 -22.080 -49.917 49.508 1.00 3.63 O +ATOM 12 CB GLU H 143 -19.677 -51.926 50.534 1.00 3.70 C +ATOM 13 CG GLU H 143 -18.853 -52.709 51.557 1.00 3.59 C +ATOM 14 CD GLU H 143 -18.544 -51.915 52.821 1.00 3.52 C +ATOM 15 OE1 GLU H 143 -18.195 -52.546 53.840 1.00 3.57 O +ATOM 16 OE2 GLU H 143 -18.651 -50.668 52.804 1.00 3.26 O +ATOM 17 N LEU H 144 -20.830 -49.123 51.226 1.00 3.67 N +ATOM 18 CA LEU H 144 -21.059 -47.704 50.985 1.00 3.64 C +ATOM 19 C LEU H 144 -19.823 -47.080 50.352 1.00 3.66 C +ATOM 20 O LEU H 144 -18.727 -47.163 50.903 1.00 3.72 O +ATOM 21 CB LEU H 144 -21.374 -47.007 52.313 1.00 3.61 C +ATOM 22 CG LEU H 144 -21.378 -45.478 52.364 1.00 3.48 C +ATOM 23 CD1 LEU H 144 -22.195 -44.878 51.234 1.00 3.65 C +ATOM 24 CD2 LEU H 144 -21.913 -45.028 53.708 1.00 3.61 C +ATOM 25 N THR H 145 -20.013 -46.452 49.198 1.00 3.71 N +ATOM 26 CA THR H 145 -18.933 -45.790 48.469 1.00 3.75 C +ATOM 27 C THR H 145 -19.097 -44.268 48.567 1.00 3.73 C +ATOM 28 O THR H 145 -19.930 -43.777 49.330 1.00 3.74 O +ATOM 29 CB THR H 145 -18.913 -46.255 46.989 1.00 3.81 C +ATOM 30 OG1 THR H 145 -20.258 -46.429 46.521 1.00 3.77 O +ATOM 31 CG2 THR H 145 -18.160 -47.578 46.853 1.00 3.73 C +ATOM 32 N GLN H 146 -18.286 -43.524 47.821 1.00 3.73 N +ATOM 33 CA GLN H 146 -18.406 -42.068 47.775 1.00 3.77 C +ATOM 34 C GLN H 146 -18.448 -41.551 46.335 1.00 3.84 C +ATOM 35 O GLN H 146 -18.167 -42.285 45.385 1.00 3.89 O +ATOM 36 CB GLN H 146 -17.262 -41.407 48.552 1.00 3.75 C +ATOM 37 CG GLN H 146 -15.862 -41.810 48.102 1.00 3.60 C +ATOM 38 CD GLN H 146 -14.787 -40.960 48.748 1.00 3.39 C +ATOM 39 OE1 GLN H 146 -14.620 -40.972 49.967 1.00 3.29 O +ATOM 40 NE2 GLN H 146 -14.053 -40.213 47.933 1.00 3.24 N +ATOM 41 N THR H 147 -18.827 -40.284 46.191 1.00 3.88 N +ATOM 42 CA THR H 147 -18.852 -39.613 44.890 1.00 3.88 C +ATOM 43 C THR H 147 -18.861 -38.102 45.093 1.00 3.83 C +ATOM 44 O THR H 147 -19.003 -37.628 46.219 1.00 3.94 O +ATOM 45 CB THR H 147 -20.077 -40.031 44.047 1.00 3.89 C +ATOM 46 OG1 THR H 147 -19.883 -39.622 42.689 1.00 3.94 O +ATOM 47 CG2 THR H 147 -21.365 -39.407 44.589 1.00 3.99 C +ATOM 48 N VAL H 148 -18.721 -37.356 44.002 1.00 3.77 N +ATOM 49 CA VAL H 148 -18.592 -35.900 44.075 1.00 3.72 C +ATOM 50 C VAL H 148 -19.767 -35.190 43.409 1.00 3.68 C +ATOM 51 O VAL H 148 -20.186 -35.564 42.315 1.00 3.86 O +ATOM 52 CB VAL H 148 -17.279 -35.429 43.417 1.00 3.74 C +ATOM 53 CG1 VAL H 148 -17.057 -33.939 43.665 1.00 3.38 C +ATOM 54 CG2 VAL H 148 -16.108 -36.244 43.949 1.00 3.71 C +ATOM 55 N LEU H 149 -20.284 -34.165 44.084 1.00 3.60 N +ATOM 56 CA LEU H 149 -21.379 -33.342 43.573 1.00 3.60 C +ATOM 57 C LEU H 149 -21.129 -31.887 43.957 1.00 3.67 C +ATOM 58 O LEU H 149 -21.114 -31.550 45.141 1.00 3.70 O +ATOM 59 CB LEU H 149 -22.715 -33.808 44.156 1.00 3.60 C +ATOM 60 CG LEU H 149 -23.970 -33.048 43.713 1.00 3.52 C +ATOM 61 CD1 LEU H 149 -24.306 -33.376 42.263 1.00 3.16 C +ATOM 62 CD2 LEU H 149 -25.147 -33.368 44.625 1.00 3.23 C +ATOM 63 N GLU H 150 -20.949 -31.036 42.950 1.00 3.76 N +ATOM 64 CA GLU H 150 -20.552 -29.633 43.145 1.00 3.84 C +ATOM 65 C GLU H 150 -19.251 -29.515 43.957 1.00 3.82 C +ATOM 66 O GLU H 150 -19.157 -28.742 44.915 1.00 3.66 O +ATOM 67 CB GLU H 150 -21.690 -28.823 43.777 1.00 3.87 C +ATOM 68 CG GLU H 150 -22.976 -28.828 42.955 1.00 4.02 C +ATOM 69 CD GLU H 150 -22.808 -28.205 41.577 1.00 4.57 C +ATOM 70 OE1 GLU H 150 -22.057 -27.209 41.443 1.00 4.66 O +ATOM 71 OE2 GLU H 150 -23.436 -28.713 40.622 1.00 5.06 O +ATOM 72 N GLY H 151 -18.257 -30.305 43.550 1.00 3.87 N +ATOM 73 CA GLY H 151 -16.940 -30.331 44.190 1.00 3.88 C +ATOM 74 C GLY H 151 -16.939 -30.846 45.617 1.00 3.93 C +ATOM 75 O GLY H 151 -15.926 -30.740 46.320 1.00 3.85 O +ATOM 76 N GLU H 152 -18.063 -31.423 46.035 1.00 3.87 N +ATOM 77 CA GLU H 152 -18.287 -31.774 47.431 1.00 3.94 C +ATOM 78 C GLU H 152 -18.625 -33.254 47.559 1.00 3.83 C +ATOM 79 O GLU H 152 -19.418 -33.790 46.786 1.00 3.74 O +ATOM 80 CB GLU H 152 -19.408 -30.912 48.021 1.00 3.94 C +ATOM 81 CG GLU H 152 -19.539 -31.002 49.532 1.00 4.18 C +ATOM 82 CD GLU H 152 -18.234 -30.724 50.274 1.00 4.52 C +ATOM 83 OE1 GLU H 152 -17.979 -31.432 51.270 1.00 4.27 O +ATOM 84 OE2 GLU H 152 -17.465 -29.821 49.858 1.00 4.36 O +ATOM 85 N SER H 153 -18.008 -33.899 48.543 1.00 3.80 N +ATOM 86 CA SER H 153 -18.057 -35.345 48.679 1.00 3.87 C +ATOM 87 C SER H 153 -19.353 -35.770 49.344 1.00 3.86 C +ATOM 88 O SER H 153 -19.721 -35.237 50.389 1.00 4.03 O +ATOM 89 CB SER H 153 -16.868 -35.838 49.500 1.00 3.93 C +ATOM 90 OG SER H 153 -16.818 -37.251 49.526 1.00 4.39 O +ATOM 91 N ILE H 154 -20.037 -36.731 48.730 1.00 3.81 N +ATOM 92 CA ILE H 154 -21.332 -37.213 49.209 1.00 3.75 C +ATOM 93 C ILE H 154 -21.326 -38.740 49.267 1.00 3.65 C +ATOM 94 O ILE H 154 -20.803 -39.395 48.363 1.00 3.68 O +ATOM 95 CB ILE H 154 -22.485 -36.722 48.290 1.00 3.79 C +ATOM 96 CG1 ILE H 154 -23.017 -35.366 48.763 1.00 3.86 C +ATOM 97 CG2 ILE H 154 -23.634 -37.705 48.281 1.00 3.63 C +ATOM 98 CD1 ILE H 154 -22.047 -34.237 48.609 1.00 3.91 C +ATOM 99 N SER H 155 -21.903 -39.295 50.332 1.00 3.52 N +ATOM 100 CA SER H 155 -22.021 -40.746 50.490 1.00 3.49 C +ATOM 101 C SER H 155 -23.037 -41.309 49.507 1.00 3.37 C +ATOM 102 O SER H 155 -24.080 -40.697 49.268 1.00 3.20 O +ATOM 103 CB SER H 155 -22.469 -41.105 51.907 1.00 3.52 C +ATOM 104 OG SER H 155 -21.598 -40.560 52.879 1.00 3.90 O +ATOM 105 N CYS H 156 -22.739 -42.477 48.946 1.00 3.30 N +ATOM 106 CA CYS H 156 -23.650 -43.110 48.001 1.00 3.34 C +ATOM 107 C CYS H 156 -23.556 -44.634 48.007 1.00 3.40 C +ATOM 108 O CYS H 156 -22.478 -45.204 48.209 1.00 3.32 O +ATOM 109 CB CYS H 156 -23.416 -42.571 46.586 1.00 3.35 C +ATOM 110 SG CYS H 156 -21.713 -42.690 45.990 1.00 3.12 S +ATOM 111 N PHE H 157 -24.708 -45.273 47.799 1.00 3.34 N +ATOM 112 CA PHE H 157 -24.799 -46.720 47.634 1.00 3.40 C +ATOM 113 C PHE H 157 -24.831 -47.059 46.155 1.00 3.52 C +ATOM 114 O PHE H 157 -25.576 -46.443 45.390 1.00 3.53 O +ATOM 115 CB PHE H 157 -26.080 -47.263 48.269 1.00 3.43 C +ATOM 116 CG PHE H 157 -26.141 -47.102 49.756 1.00 3.42 C +ATOM 117 CD1 PHE H 157 -26.928 -46.111 50.330 1.00 3.33 C +ATOM 118 CD2 PHE H 157 -25.423 -47.948 50.586 1.00 3.33 C +ATOM 119 CE1 PHE H 157 -26.987 -45.962 51.708 1.00 3.26 C +ATOM 120 CE2 PHE H 157 -25.480 -47.807 51.964 1.00 3.33 C +ATOM 121 CZ PHE H 157 -26.261 -46.813 52.526 1.00 3.09 C +ATOM 122 N GLN H 158 -24.035 -48.045 45.753 1.00 3.67 N +ATOM 123 CA GLN H 158 -24.098 -48.575 44.395 1.00 3.77 C +ATOM 124 C GLN H 158 -25.296 -49.517 44.313 1.00 3.82 C +ATOM 125 O GLN H 158 -25.397 -50.469 45.091 1.00 3.90 O +ATOM 126 CB GLN H 158 -22.811 -49.324 44.043 1.00 3.82 C +ATOM 127 CG GLN H 158 -22.748 -49.850 42.606 1.00 3.98 C +ATOM 128 CD GLN H 158 -22.537 -48.753 41.576 1.00 4.27 C +ATOM 129 OE1 GLN H 158 -21.751 -47.825 41.786 1.00 4.37 O +ATOM 130 NE2 GLN H 158 -23.229 -48.864 40.445 1.00 4.33 N +ATOM 131 N VAL H 159 -26.209 -49.235 43.387 1.00 3.79 N +ATOM 132 CA VAL H 159 -27.404 -50.057 43.193 1.00 3.80 C +ATOM 133 C VAL H 159 -27.701 -50.222 41.702 1.00 3.81 C +ATOM 134 O VAL H 159 -28.451 -49.440 41.111 1.00 3.70 O +ATOM 135 CB VAL H 159 -28.637 -49.451 43.908 1.00 3.78 C +ATOM 136 CG1 VAL H 159 -29.863 -50.334 43.708 1.00 3.97 C +ATOM 137 CG2 VAL H 159 -28.360 -49.266 45.387 1.00 3.77 C +ATOM 138 N GLY H 160 -27.089 -51.238 41.102 1.00 3.86 N +ATOM 139 CA GLY H 160 -27.358 -51.604 39.715 1.00 3.87 C +ATOM 140 C GLY H 160 -26.859 -50.604 38.690 1.00 3.89 C +ATOM 141 O GLY H 160 -27.633 -50.093 37.877 1.00 3.98 O +ATOM 142 N GLY H 161 -25.563 -50.314 38.737 1.00 3.87 N +ATOM 143 CA GLY H 161 -24.928 -49.441 37.749 1.00 3.86 C +ATOM 144 C GLY H 161 -25.198 -47.960 37.952 1.00 3.82 C +ATOM 145 O GLY H 161 -24.759 -47.133 37.154 1.00 3.86 O +ATOM 146 N GLU H 162 -25.921 -47.626 39.018 1.00 3.80 N +ATOM 147 CA GLU H 162 -26.178 -46.240 39.381 1.00 3.82 C +ATOM 148 C GLU H 162 -25.715 -45.992 40.810 1.00 3.66 C +ATOM 149 O GLU H 162 -25.888 -46.842 41.684 1.00 3.58 O +ATOM 150 CB GLU H 162 -27.666 -45.915 39.240 1.00 3.87 C +ATOM 151 CG GLU H 162 -28.068 -45.542 37.820 1.00 4.44 C +ATOM 152 CD GLU H 162 -29.555 -45.257 37.669 1.00 5.12 C +ATOM 153 OE1 GLU H 162 -30.365 -45.895 38.375 1.00 5.67 O +ATOM 154 OE2 GLU H 162 -29.914 -44.399 36.830 1.00 5.50 O +ATOM 155 N LYS H 163 -25.106 -44.832 41.032 1.00 3.57 N +ATOM 156 CA LYS H 163 -24.757 -44.400 42.378 1.00 3.58 C +ATOM 157 C LYS H 163 -25.972 -43.686 42.964 1.00 3.53 C +ATOM 158 O LYS H 163 -26.494 -42.748 42.362 1.00 3.42 O +ATOM 159 CB LYS H 163 -23.541 -43.469 42.361 1.00 3.55 C +ATOM 160 CG LYS H 163 -22.332 -44.043 41.629 1.00 3.76 C +ATOM 161 CD LYS H 163 -21.071 -43.215 41.866 1.00 3.88 C +ATOM 162 CE LYS H 163 -20.015 -43.481 40.795 1.00 4.10 C +ATOM 163 NZ LYS H 163 -19.699 -44.930 40.647 1.00 4.05 N +ATOM 164 N ARG H 164 -26.427 -44.150 44.123 1.00 3.47 N +ATOM 165 CA ARG H 164 -27.566 -43.545 44.806 1.00 3.50 C +ATOM 166 C ARG H 164 -27.101 -42.694 45.987 1.00 3.39 C +ATOM 167 O ARG H 164 -26.668 -43.217 47.011 1.00 3.29 O +ATOM 168 CB ARG H 164 -28.543 -44.630 45.260 1.00 3.53 C +ATOM 169 CG ARG H 164 -29.195 -45.359 44.089 1.00 3.88 C +ATOM 170 CD ARG H 164 -30.428 -46.149 44.497 1.00 4.41 C +ATOM 171 NE ARG H 164 -31.275 -46.450 43.341 1.00 5.20 N +ATOM 172 CZ ARG H 164 -32.083 -45.575 42.734 1.00 5.72 C +ATOM 173 NH1 ARG H 164 -32.802 -45.962 41.685 1.00 5.37 N +ATOM 174 NH2 ARG H 164 -32.176 -44.313 43.159 1.00 6.09 N +ATOM 175 N LEU H 165 -27.212 -41.378 45.833 1.00 3.32 N +ATOM 176 CA LEU H 165 -26.679 -40.424 46.806 1.00 3.36 C +ATOM 177 C LEU H 165 -27.611 -40.236 48.002 1.00 3.42 C +ATOM 178 O LEU H 165 -28.833 -40.217 47.851 1.00 3.46 O +ATOM 179 CB LEU H 165 -26.417 -39.068 46.138 1.00 3.24 C +ATOM 180 CG LEU H 165 -25.215 -38.990 45.192 1.00 3.06 C +ATOM 181 CD1 LEU H 165 -25.366 -39.924 44.005 1.00 2.76 C +ATOM 182 CD2 LEU H 165 -25.016 -37.556 44.716 1.00 2.87 C +ATOM 183 N CYS H 166 -27.015 -40.086 49.183 1.00 3.55 N +ATOM 184 CA CYS H 166 -27.754 -39.856 50.429 1.00 3.73 C +ATOM 185 C CYS H 166 -28.383 -38.459 50.438 1.00 3.80 C +ATOM 186 O CYS H 166 -27.681 -37.460 50.621 1.00 3.79 O +ATOM 187 CB CYS H 166 -26.813 -40.011 51.626 1.00 3.77 C +ATOM 188 SG CYS H 166 -27.532 -39.569 53.220 1.00 4.20 S +ATOM 189 N LEU H 167 -29.704 -38.401 50.264 1.00 3.88 N +ATOM 190 CA LEU H 167 -30.401 -37.133 49.991 1.00 3.91 C +ATOM 191 C LEU H 167 -30.227 -36.068 51.078 1.00 3.97 C +ATOM 192 O LEU H 167 -29.972 -34.905 50.753 1.00 4.15 O +ATOM 193 CB LEU H 167 -31.892 -37.366 49.708 1.00 3.88 C +ATOM 194 CG LEU H 167 -32.691 -36.151 49.219 1.00 3.87 C +ATOM 195 CD1 LEU H 167 -32.119 -35.610 47.909 1.00 3.97 C +ATOM 196 CD2 LEU H 167 -34.164 -36.507 49.054 1.00 3.58 C +ATOM 197 N PRO H 168 -30.366 -36.449 52.363 1.00 3.86 N +ATOM 198 CA PRO H 168 -30.085 -35.479 53.428 1.00 3.85 C +ATOM 199 C PRO H 168 -28.701 -34.834 53.313 1.00 3.85 C +ATOM 200 O PRO H 168 -28.557 -33.636 53.549 1.00 3.87 O +ATOM 201 CB PRO H 168 -30.170 -36.325 54.701 1.00 3.82 C +ATOM 202 CG PRO H 168 -31.108 -37.417 54.359 1.00 3.81 C +ATOM 203 CD PRO H 168 -30.869 -37.723 52.908 1.00 3.84 C +ATOM 204 N GLN H 169 -27.702 -35.631 52.944 1.00 3.87 N +ATOM 205 CA GLN H 169 -26.321 -35.162 52.828 1.00 3.82 C +ATOM 206 C GLN H 169 -26.130 -34.296 51.578 1.00 3.80 C +ATOM 207 O GLN H 169 -25.177 -33.517 51.493 1.00 3.76 O +ATOM 208 CB GLN H 169 -25.361 -36.357 52.816 1.00 3.80 C +ATOM 209 CG GLN H 169 -23.897 -35.985 52.961 1.00 4.21 C +ATOM 210 CD GLN H 169 -23.007 -37.175 53.282 1.00 4.68 C +ATOM 211 OE1 GLN H 169 -23.394 -38.327 53.087 1.00 4.77 O +ATOM 212 NE2 GLN H 169 -21.798 -36.897 53.776 1.00 4.77 N +ATOM 213 N VAL H 170 -27.029 -34.449 50.605 1.00 3.81 N +ATOM 214 CA VAL H 170 -27.094 -33.545 49.454 1.00 3.73 C +ATOM 215 C VAL H 170 -27.766 -32.239 49.862 1.00 3.84 C +ATOM 216 O VAL H 170 -27.268 -31.153 49.552 1.00 3.97 O +ATOM 217 CB VAL H 170 -27.864 -34.170 48.273 1.00 3.66 C +ATOM 218 CG1 VAL H 170 -28.214 -33.113 47.229 1.00 3.30 C +ATOM 219 CG2 VAL H 170 -27.050 -35.289 47.654 1.00 3.71 C +ATOM 220 N LEU H 171 -28.885 -32.355 50.576 1.00 3.90 N +ATOM 221 CA LEU H 171 -29.656 -31.189 51.027 1.00 3.96 C +ATOM 222 C LEU H 171 -28.926 -30.295 52.043 1.00 4.01 C +ATOM 223 O LEU H 171 -29.380 -29.183 52.311 1.00 4.12 O +ATOM 224 CB LEU H 171 -31.007 -31.631 51.605 1.00 3.96 C +ATOM 225 CG LEU H 171 -32.138 -31.836 50.588 1.00 4.20 C +ATOM 226 CD1 LEU H 171 -31.658 -32.576 49.338 1.00 4.38 C +ATOM 227 CD2 LEU H 171 -33.308 -32.571 51.231 1.00 4.02 C +ATOM 228 N ASN H 172 -27.815 -30.776 52.604 1.00 3.93 N +ATOM 229 CA ASN H 172 -27.044 -30.013 53.589 1.00 3.98 C +ATOM 230 C ASN H 172 -25.670 -29.547 53.092 1.00 3.95 C +ATOM 231 O ASN H 172 -25.221 -28.462 53.459 1.00 3.89 O +ATOM 232 CB ASN H 172 -26.865 -30.836 54.870 1.00 4.05 C +ATOM 233 CG ASN H 172 -28.189 -31.198 55.530 1.00 4.24 C +ATOM 234 OD1 ASN H 172 -29.237 -30.630 55.213 1.00 4.41 O +ATOM 235 ND2 ASN H 172 -28.145 -32.152 56.456 1.00 4.49 N +ATOM 236 N SER H 173 -25.003 -30.369 52.282 1.00 3.89 N +ATOM 237 CA SER H 173 -23.662 -30.050 51.781 1.00 3.92 C +ATOM 238 C SER H 173 -23.669 -29.348 50.419 1.00 3.85 C +ATOM 239 O SER H 173 -22.617 -28.908 49.952 1.00 3.78 O +ATOM 240 CB SER H 173 -22.801 -31.317 51.692 1.00 3.95 C +ATOM 241 OG SER H 173 -22.676 -31.951 52.953 1.00 4.17 O +ATOM 242 N VAL H 174 -24.838 -29.247 49.782 1.00 3.75 N +ATOM 243 CA VAL H 174 -24.944 -28.607 48.465 1.00 3.61 C +ATOM 244 C VAL H 174 -26.139 -27.651 48.364 1.00 3.55 C +ATOM 245 O VAL H 174 -25.963 -26.473 48.059 1.00 3.51 O +ATOM 246 CB VAL H 174 -24.998 -29.659 47.334 1.00 3.63 C +ATOM 247 CG1 VAL H 174 -25.293 -29.004 45.987 1.00 3.56 C +ATOM 248 CG2 VAL H 174 -23.688 -30.425 47.268 1.00 3.49 C +ATOM 249 N LEU H 175 -27.344 -28.156 48.619 1.00 3.53 N +ATOM 250 CA LEU H 175 -28.572 -27.353 48.495 1.00 3.54 C +ATOM 251 C LEU H 175 -29.087 -26.863 49.853 1.00 3.55 C +ATOM 252 O LEU H 175 -30.289 -26.921 50.137 1.00 3.53 O +ATOM 253 CB LEU H 175 -29.662 -28.159 47.774 1.00 3.54 C +ATOM 254 CG LEU H 175 -29.298 -28.704 46.389 1.00 3.55 C +ATOM 255 CD1 LEU H 175 -30.479 -29.462 45.783 1.00 3.48 C +ATOM 256 CD2 LEU H 175 -28.842 -27.586 45.462 1.00 3.30 C +ATOM 257 N ARG H 176 -28.165 -26.366 50.674 1.00 3.58 N +ATOM 258 CA ARG H 176 -28.472 -25.852 52.013 1.00 3.60 C +ATOM 259 C ARG H 176 -29.474 -24.695 51.961 1.00 3.57 C +ATOM 260 O ARG H 176 -30.352 -24.593 52.815 1.00 3.55 O +ATOM 261 CB ARG H 176 -27.179 -25.383 52.698 1.00 3.64 C +ATOM 262 CG ARG H 176 -27.325 -24.986 54.170 1.00 3.80 C +ATOM 263 CD ARG H 176 -26.987 -26.132 55.119 1.00 4.09 C +ATOM 264 NE ARG H 176 -25.557 -26.197 55.432 1.00 4.13 N +ATOM 265 CZ ARG H 176 -24.925 -25.398 56.291 1.00 4.40 C +ATOM 266 NH1 ARG H 176 -25.575 -24.436 56.943 1.00 4.72 N +ATOM 267 NH2 ARG H 176 -23.623 -25.555 56.496 1.00 4.57 N +ATOM 268 N GLU H 177 -29.342 -23.839 50.950 1.00 3.59 N +ATOM 269 CA GLU H 177 -30.160 -22.627 50.843 1.00 3.67 C +ATOM 270 C GLU H 177 -31.634 -22.915 50.531 1.00 3.62 C +ATOM 271 O GLU H 177 -32.489 -22.059 50.752 1.00 3.62 O +ATOM 272 CB GLU H 177 -29.592 -21.680 49.774 1.00 3.73 C +ATOM 273 CG GLU H 177 -28.126 -21.244 49.973 1.00 4.04 C +ATOM 274 CD GLU H 177 -27.919 -20.274 51.131 1.00 4.35 C +ATOM 275 OE1 GLU H 177 -27.543 -19.109 50.875 1.00 4.65 O +ATOM 276 OE2 GLU H 177 -28.114 -20.674 52.298 1.00 4.74 O +ATOM 277 N PHE H 178 -31.928 -24.108 50.018 1.00 3.56 N +ATOM 278 CA PHE H 178 -33.297 -24.473 49.648 1.00 3.60 C +ATOM 279 C PHE H 178 -33.967 -25.349 50.706 1.00 3.63 C +ATOM 280 O PHE H 178 -33.326 -26.207 51.316 1.00 3.62 O +ATOM 281 CB PHE H 178 -33.301 -25.179 48.293 1.00 3.56 C +ATOM 282 CG PHE H 178 -32.667 -24.373 47.203 1.00 3.49 C +ATOM 283 CD1 PHE H 178 -33.331 -23.287 46.654 1.00 3.45 C +ATOM 284 CD2 PHE H 178 -31.393 -24.680 46.743 1.00 3.63 C +ATOM 285 CE1 PHE H 178 -32.740 -22.525 45.655 1.00 3.45 C +ATOM 286 CE2 PHE H 178 -30.795 -23.925 45.743 1.00 3.46 C +ATOM 287 CZ PHE H 178 -31.471 -22.845 45.198 1.00 3.43 C +ATOM 288 N THR H 179 -35.263 -25.119 50.913 1.00 3.73 N +ATOM 289 CA THR H 179 -36.054 -25.879 51.886 1.00 3.78 C +ATOM 290 C THR H 179 -36.423 -27.248 51.321 1.00 3.87 C +ATOM 291 O THR H 179 -36.376 -27.457 50.112 1.00 3.88 O +ATOM 292 CB THR H 179 -37.355 -25.142 52.262 1.00 3.76 C +ATOM 293 OG1 THR H 179 -38.226 -25.094 51.125 1.00 3.76 O +ATOM 294 CG2 THR H 179 -37.062 -23.724 52.739 1.00 3.71 C +ATOM 295 N LEU H 180 -36.806 -28.170 52.200 1.00 4.02 N +ATOM 296 CA LEU H 180 -37.143 -29.541 51.792 1.00 4.12 C +ATOM 297 C LEU H 180 -38.348 -29.571 50.850 1.00 4.06 C +ATOM 298 O LEU H 180 -38.349 -30.305 49.861 1.00 4.08 O +ATOM 299 CB LEU H 180 -37.403 -30.423 53.022 1.00 4.18 C +ATOM 300 CG LEU H 180 -37.546 -31.935 52.797 1.00 4.44 C +ATOM 301 CD1 LEU H 180 -36.421 -32.489 51.928 1.00 4.51 C +ATOM 302 CD2 LEU H 180 -37.593 -32.669 54.134 1.00 4.60 C +ATOM 303 N GLN H 181 -39.358 -28.763 51.163 1.00 4.05 N +ATOM 304 CA GLN H 181 -40.536 -28.594 50.306 1.00 4.09 C +ATOM 305 C GLN H 181 -40.139 -28.133 48.902 1.00 4.07 C +ATOM 306 O GLN H 181 -40.671 -28.627 47.903 1.00 4.14 O +ATOM 307 CB GLN H 181 -41.503 -27.582 50.937 1.00 4.10 C +ATOM 308 CG GLN H 181 -42.703 -27.193 50.068 1.00 4.30 C +ATOM 309 CD GLN H 181 -43.618 -26.176 50.745 1.00 4.56 C +ATOM 310 OE1 GLN H 181 -43.754 -26.162 51.970 1.00 4.92 O +ATOM 311 NE2 GLN H 181 -44.254 -25.324 49.945 1.00 4.32 N +ATOM 312 N GLN H 182 -39.209 -27.183 48.835 1.00 3.98 N +ATOM 313 CA GLN H 182 -38.731 -26.665 47.556 1.00 3.87 C +ATOM 314 C GLN H 182 -38.008 -27.740 46.746 1.00 3.88 C +ATOM 315 O GLN H 182 -38.247 -27.866 45.546 1.00 3.86 O +ATOM 316 CB GLN H 182 -37.818 -25.452 47.764 1.00 3.84 C +ATOM 317 CG GLN H 182 -38.565 -24.161 48.085 1.00 3.70 C +ATOM 318 CD GLN H 182 -37.636 -22.998 48.407 1.00 3.35 C +ATOM 319 OE1 GLN H 182 -36.476 -23.194 48.764 1.00 3.17 O +ATOM 320 NE2 GLN H 182 -38.150 -21.779 48.285 1.00 3.05 N +ATOM 321 N ILE H 183 -37.130 -28.506 47.396 1.00 3.92 N +ATOM 322 CA ILE H 183 -36.389 -29.575 46.711 1.00 3.92 C +ATOM 323 C ILE H 183 -37.345 -30.623 46.161 1.00 3.89 C +ATOM 324 O ILE H 183 -37.169 -31.097 45.037 1.00 3.90 O +ATOM 325 CB ILE H 183 -35.344 -30.273 47.625 1.00 3.95 C +ATOM 326 CG1 ILE H 183 -34.047 -29.465 47.692 1.00 4.08 C +ATOM 327 CG2 ILE H 183 -35.003 -31.667 47.106 1.00 3.88 C +ATOM 328 CD1 ILE H 183 -34.086 -28.338 48.679 1.00 4.35 C +ATOM 329 N ASN H 184 -38.350 -30.980 46.955 1.00 3.91 N +ATOM 330 CA ASN H 184 -39.366 -31.940 46.525 1.00 3.92 C +ATOM 331 C ASN H 184 -40.139 -31.428 45.310 1.00 3.92 C +ATOM 332 O ASN H 184 -40.480 -32.200 44.414 1.00 4.01 O +ATOM 333 CB ASN H 184 -40.334 -32.263 47.671 1.00 3.88 C +ATOM 334 CG ASN H 184 -39.721 -33.180 48.721 1.00 3.94 C +ATOM 335 OD1 ASN H 184 -38.965 -34.096 48.401 1.00 4.37 O +ATOM 336 ND2 ASN H 184 -40.059 -32.941 49.981 1.00 4.12 N +ATOM 337 N THR H 185 -40.394 -30.123 45.281 1.00 3.89 N +ATOM 338 CA THR H 185 -41.105 -29.502 44.169 1.00 3.88 C +ATOM 339 C THR H 185 -40.292 -29.588 42.881 1.00 3.89 C +ATOM 340 O THR H 185 -40.779 -30.085 41.865 1.00 3.92 O +ATOM 341 CB THR H 185 -41.422 -28.031 44.460 1.00 3.91 C +ATOM 342 OG1 THR H 185 -42.198 -27.941 45.661 1.00 4.13 O +ATOM 343 CG2 THR H 185 -42.202 -27.415 43.306 1.00 3.90 C +ATOM 344 N VAL H 186 -39.055 -29.104 42.925 1.00 3.87 N +ATOM 345 CA VAL H 186 -38.175 -29.165 41.762 1.00 3.83 C +ATOM 346 C VAL H 186 -38.056 -30.607 41.263 1.00 3.93 C +ATOM 347 O VAL H 186 -38.178 -30.869 40.065 1.00 4.03 O +ATOM 348 CB VAL H 186 -36.776 -28.607 42.065 1.00 3.80 C +ATOM 349 CG1 VAL H 186 -35.882 -28.749 40.843 1.00 3.70 C +ATOM 350 CG2 VAL H 186 -36.866 -27.148 42.483 1.00 3.56 C +ATOM 351 N CYS H 187 -37.836 -31.539 42.187 1.00 3.95 N +ATOM 352 CA CYS H 187 -37.772 -32.964 41.847 1.00 4.04 C +ATOM 353 C CYS H 187 -39.003 -33.419 41.066 1.00 4.05 C +ATOM 354 O CYS H 187 -38.890 -34.201 40.117 1.00 4.06 O +ATOM 355 CB CYS H 187 -37.626 -33.818 43.106 1.00 4.03 C +ATOM 356 SG CYS H 187 -35.954 -33.848 43.759 1.00 4.77 S +ATOM 357 N ASP H 188 -40.171 -32.927 41.475 1.00 3.97 N +ATOM 358 CA ASP H 188 -41.423 -33.232 40.789 1.00 3.98 C +ATOM 359 C ASP H 188 -41.424 -32.637 39.378 1.00 3.88 C +ATOM 360 O ASP H 188 -41.648 -33.349 38.402 1.00 3.81 O +ATOM 361 CB ASP H 188 -42.617 -32.704 41.593 1.00 4.00 C +ATOM 362 CG ASP H 188 -43.944 -33.061 40.967 1.00 4.28 C +ATOM 363 OD1 ASP H 188 -44.814 -32.171 40.876 1.00 5.08 O +ATOM 364 OD2 ASP H 188 -44.120 -34.230 40.564 1.00 4.89 O +ATOM 365 N GLU H 189 -41.150 -31.336 39.285 1.00 3.81 N +ATOM 366 CA GLU H 189 -41.035 -30.644 37.994 1.00 3.77 C +ATOM 367 C GLU H 189 -40.060 -31.349 37.052 1.00 3.73 C +ATOM 368 O GLU H 189 -40.288 -31.403 35.845 1.00 3.75 O +ATOM 369 CB GLU H 189 -40.547 -29.206 38.198 1.00 3.84 C +ATOM 370 CG GLU H 189 -41.523 -28.285 38.912 1.00 4.00 C +ATOM 371 CD GLU H 189 -40.878 -26.986 39.376 1.00 4.06 C +ATOM 372 OE1 GLU H 189 -39.783 -26.636 38.880 1.00 4.15 O +ATOM 373 OE2 GLU H 189 -41.475 -26.310 40.239 1.00 4.31 O +ATOM 374 N LEU H 190 -38.972 -31.876 37.618 1.00 3.69 N +ATOM 375 CA LEU H 190 -37.918 -32.548 36.849 1.00 3.63 C +ATOM 376 C LEU H 190 -38.191 -34.033 36.576 1.00 3.63 C +ATOM 377 O LEU H 190 -37.383 -34.699 35.925 1.00 3.58 O +ATOM 378 CB LEU H 190 -36.573 -32.403 37.574 1.00 3.57 C +ATOM 379 CG LEU H 190 -35.997 -30.985 37.667 1.00 3.51 C +ATOM 380 CD1 LEU H 190 -34.760 -30.954 38.568 1.00 3.22 C +ATOM 381 CD2 LEU H 190 -35.668 -30.446 36.284 1.00 3.09 C +ATOM 382 N TYR H 191 -39.326 -34.540 37.059 1.00 3.61 N +ATOM 383 CA TYR H 191 -39.670 -35.961 36.956 1.00 3.63 C +ATOM 384 C TYR H 191 -38.588 -36.842 37.590 1.00 3.71 C +ATOM 385 O TYR H 191 -38.226 -37.890 37.051 1.00 3.62 O +ATOM 386 CB TYR H 191 -39.919 -36.362 35.497 1.00 3.60 C +ATOM 387 CG TYR H 191 -40.766 -37.612 35.335 1.00 3.57 C +ATOM 388 CD1 TYR H 191 -40.203 -38.811 34.896 1.00 3.50 C +ATOM 389 CD2 TYR H 191 -42.133 -37.593 35.617 1.00 3.15 C +ATOM 390 CE1 TYR H 191 -40.979 -39.957 34.748 1.00 3.12 C +ATOM 391 CE2 TYR H 191 -42.914 -38.732 35.469 1.00 2.98 C +ATOM 392 CZ TYR H 191 -42.331 -39.909 35.035 1.00 2.88 C +ATOM 393 OH TYR H 191 -43.100 -41.034 34.888 1.00 2.67 O +ATOM 394 N ILE H 192 -38.081 -36.398 38.740 1.00 3.86 N +ATOM 395 CA ILE H 192 -37.096 -37.152 39.512 1.00 3.98 C +ATOM 396 C ILE H 192 -37.802 -37.982 40.574 1.00 4.06 C +ATOM 397 O ILE H 192 -38.636 -37.461 41.321 1.00 4.09 O +ATOM 398 CB ILE H 192 -36.099 -36.224 40.218 1.00 3.98 C +ATOM 399 CG1 ILE H 192 -35.244 -35.482 39.193 1.00 4.00 C +ATOM 400 CG2 ILE H 192 -35.200 -37.020 41.161 1.00 4.15 C +ATOM 401 CD1 ILE H 192 -34.294 -34.484 39.819 1.00 4.26 C +ATOM 402 N TYR H 193 -37.468 -39.269 40.629 1.00 4.14 N +ATOM 403 CA TYR H 193 -37.988 -40.167 41.658 1.00 4.23 C +ATOM 404 C TYR H 193 -36.889 -40.451 42.672 1.00 4.26 C +ATOM 405 O TYR H 193 -35.861 -41.047 42.332 1.00 4.29 O +ATOM 406 CB TYR H 193 -38.478 -41.478 41.040 1.00 4.28 C +ATOM 407 CG TYR H 193 -38.898 -42.522 42.058 1.00 4.63 C +ATOM 408 CD1 TYR H 193 -37.996 -43.487 42.508 1.00 4.86 C +ATOM 409 CD2 TYR H 193 -40.198 -42.545 42.573 1.00 4.75 C +ATOM 410 CE1 TYR H 193 -38.371 -44.447 43.441 1.00 5.04 C +ATOM 411 CE2 TYR H 193 -40.584 -43.503 43.507 1.00 4.84 C +ATOM 412 CZ TYR H 193 -39.664 -44.450 43.935 1.00 5.17 C +ATOM 413 OH TYR H 193 -40.026 -45.400 44.859 1.00 5.83 O +ATOM 414 N CYS H 194 -37.106 -40.018 43.912 1.00 4.25 N +ATOM 415 CA CYS H 194 -36.177 -40.310 45.001 1.00 4.22 C +ATOM 416 C CYS H 194 -36.597 -41.603 45.690 1.00 4.12 C +ATOM 417 O CYS H 194 -37.728 -41.717 46.175 1.00 4.10 O +ATOM 418 CB CYS H 194 -36.138 -39.160 46.006 1.00 4.28 C +ATOM 419 SG CYS H 194 -35.244 -37.695 45.412 1.00 4.95 S +ATOM 420 N SER H 195 -35.693 -42.580 45.713 1.00 3.98 N +ATOM 421 CA SER H 195 -35.962 -43.860 46.362 1.00 3.95 C +ATOM 422 C SER H 195 -35.748 -43.739 47.868 1.00 3.89 C +ATOM 423 O SER H 195 -35.323 -42.699 48.366 1.00 3.65 O +ATOM 424 CB SER H 195 -35.096 -44.977 45.762 1.00 3.91 C +ATOM 425 OG SER H 195 -33.715 -44.643 45.774 1.00 4.62 O +ATOM 426 N ARG H 196 -36.076 -44.806 48.586 1.00 4.08 N +ATOM 427 CA ARG H 196 -35.979 -44.843 50.042 1.00 4.19 C +ATOM 428 C ARG H 196 -34.972 -45.914 50.456 1.00 4.10 C +ATOM 429 O ARG H 196 -35.004 -47.030 49.938 1.00 4.19 O +ATOM 430 CB ARG H 196 -37.358 -45.153 50.629 1.00 4.26 C +ATOM 431 CG ARG H 196 -37.467 -44.986 52.141 1.00 4.90 C +ATOM 432 CD ARG H 196 -38.872 -44.525 52.558 1.00 5.21 C +ATOM 433 NE ARG H 196 -39.115 -43.138 52.148 1.00 5.88 N +ATOM 434 CZ ARG H 196 -40.250 -42.467 52.345 1.00 6.04 C +ATOM 435 NH1 ARG H 196 -41.284 -43.040 52.957 1.00 6.00 N +ATOM 436 NH2 ARG H 196 -40.354 -41.208 51.922 1.00 6.20 N +ATOM 437 N CYS H 197 -34.079 -45.571 51.379 1.00 4.02 N +ATOM 438 CA CYS H 197 -33.079 -46.520 51.877 1.00 4.11 C +ATOM 439 C CYS H 197 -33.725 -47.824 52.324 1.00 3.85 C +ATOM 440 O CYS H 197 -34.812 -47.817 52.893 1.00 3.62 O +ATOM 441 CB CYS H 197 -32.303 -45.932 53.062 1.00 4.09 C +ATOM 442 SG CYS H 197 -30.826 -45.016 52.611 1.00 5.66 S +ATOM 443 N THR H 198 -33.040 -48.937 52.070 1.00 3.78 N +ATOM 444 CA THR H 198 -33.429 -50.222 52.643 1.00 3.76 C +ATOM 445 C THR H 198 -33.095 -50.216 54.132 1.00 3.73 C +ATOM 446 O THR H 198 -32.483 -49.275 54.640 1.00 3.60 O +ATOM 447 CB THR H 198 -32.713 -51.420 51.964 1.00 3.79 C +ATOM 448 OG1 THR H 198 -31.305 -51.374 52.236 1.00 3.67 O +ATOM 449 CG2 THR H 198 -32.947 -51.413 50.456 1.00 3.75 C +ATOM 450 N SER H 199 -33.503 -51.269 54.829 1.00 3.77 N +ATOM 451 CA SER H 199 -33.196 -51.407 56.248 1.00 3.71 C +ATOM 452 C SER H 199 -31.682 -51.491 56.470 1.00 3.63 C +ATOM 453 O SER H 199 -31.142 -50.821 57.350 1.00 3.52 O +ATOM 454 CB SER H 199 -33.894 -52.637 56.823 1.00 3.67 C +ATOM 455 OG SER H 199 -33.681 -52.731 58.219 1.00 3.92 O +ATOM 456 N ASP H 200 -31.011 -52.310 55.663 1.00 3.65 N +ATOM 457 CA ASP H 200 -29.548 -52.434 55.710 1.00 3.72 C +ATOM 458 C ASP H 200 -28.857 -51.105 55.456 1.00 3.58 C +ATOM 459 O ASP H 200 -27.912 -50.745 56.158 1.00 3.57 O +ATOM 460 CB ASP H 200 -29.051 -53.458 54.680 1.00 3.84 C +ATOM 461 CG ASP H 200 -28.777 -54.816 55.291 1.00 4.27 C +ATOM 462 OD1 ASP H 200 -29.499 -55.781 54.953 1.00 5.02 O +ATOM 463 OD2 ASP H 200 -27.839 -54.913 56.114 1.00 4.66 O +ATOM 464 N GLN H 201 -29.328 -50.390 54.440 1.00 3.48 N +ATOM 465 CA GLN H 201 -28.762 -49.095 54.080 1.00 3.45 C +ATOM 466 C GLN H 201 -28.946 -48.076 55.204 1.00 3.47 C +ATOM 467 O GLN H 201 -28.006 -47.366 55.559 1.00 3.42 O +ATOM 468 CB GLN H 201 -29.367 -48.593 52.766 1.00 3.41 C +ATOM 469 CG GLN H 201 -28.864 -49.381 51.553 1.00 3.35 C +ATOM 470 CD GLN H 201 -29.615 -49.089 50.265 1.00 2.78 C +ATOM 471 OE1 GLN H 201 -30.753 -48.632 50.280 1.00 3.32 O +ATOM 472 NE2 GLN H 201 -28.977 -49.373 49.141 1.00 2.36 N +ATOM 473 N LEU H 202 -30.147 -48.032 55.777 1.00 3.53 N +ATOM 474 CA LEU H 202 -30.441 -47.148 56.910 1.00 3.52 C +ATOM 475 C LEU H 202 -29.590 -47.486 58.135 1.00 3.59 C +ATOM 476 O LEU H 202 -29.198 -46.590 58.881 1.00 3.65 O +ATOM 477 CB LEU H 202 -31.928 -47.220 57.283 1.00 3.59 C +ATOM 478 CG LEU H 202 -32.428 -46.243 58.356 1.00 3.47 C +ATOM 479 CD1 LEU H 202 -32.248 -44.797 57.910 1.00 3.26 C +ATOM 480 CD2 LEU H 202 -33.885 -46.513 58.694 1.00 3.45 C +ATOM 481 N HIS H 203 -29.313 -48.772 58.339 1.00 3.61 N +ATOM 482 CA HIS H 203 -28.493 -49.218 59.465 1.00 3.65 C +ATOM 483 C HIS H 203 -27.037 -48.783 59.287 1.00 3.77 C +ATOM 484 O HIS H 203 -26.440 -48.211 60.200 1.00 3.82 O +ATOM 485 CB HIS H 203 -28.579 -50.741 59.637 1.00 3.61 C +ATOM 486 CG HIS H 203 -27.656 -51.284 60.687 1.00 3.64 C +ATOM 487 ND1 HIS H 203 -27.922 -51.188 62.036 1.00 3.51 N +ATOM 488 CD2 HIS H 203 -26.465 -51.922 60.584 1.00 3.47 C +ATOM 489 CE1 HIS H 203 -26.937 -51.744 62.719 1.00 3.40 C +ATOM 490 NE2 HIS H 203 -26.040 -52.197 61.862 1.00 3.42 N +ATOM 491 N ILE H 204 -26.476 -49.053 58.110 1.00 3.83 N +ATOM 492 CA ILE H 204 -25.080 -48.708 57.809 1.00 3.86 C +ATOM 493 C ILE H 204 -24.799 -47.216 57.999 1.00 3.86 C +ATOM 494 O ILE H 204 -23.775 -46.842 58.572 1.00 3.82 O +ATOM 495 CB ILE H 204 -24.699 -49.113 56.365 1.00 3.84 C +ATOM 496 CG1 ILE H 204 -24.582 -50.638 56.245 1.00 4.20 C +ATOM 497 CG2 ILE H 204 -23.393 -48.462 55.948 1.00 4.04 C +ATOM 498 CD1 ILE H 204 -23.419 -51.249 57.030 1.00 4.55 C +ATOM 499 N LEU H 205 -25.712 -46.372 57.523 1.00 3.93 N +ATOM 500 CA LEU H 205 -25.573 -44.917 57.666 1.00 3.85 C +ATOM 501 C LEU H 205 -25.572 -44.487 59.136 1.00 3.83 C +ATOM 502 O LEU H 205 -24.804 -43.610 59.527 1.00 4.00 O +ATOM 503 CB LEU H 205 -26.687 -44.183 56.906 1.00 3.82 C +ATOM 504 CG LEU H 205 -26.648 -44.251 55.375 1.00 3.49 C +ATOM 505 CD1 LEU H 205 -27.841 -43.516 54.786 1.00 2.99 C +ATOM 506 CD2 LEU H 205 -25.348 -43.682 54.833 1.00 3.26 C +ATOM 507 N LYS H 206 -26.425 -45.110 59.945 1.00 3.74 N +ATOM 508 CA LYS H 206 -26.461 -44.828 61.382 1.00 3.75 C +ATOM 509 C LYS H 206 -25.156 -45.232 62.087 1.00 3.66 C +ATOM 510 O LYS H 206 -24.612 -44.466 62.880 1.00 3.55 O +ATOM 511 CB LYS H 206 -27.653 -45.525 62.043 1.00 3.73 C +ATOM 512 CG LYS H 206 -28.992 -44.868 61.759 1.00 3.92 C +ATOM 513 CD LYS H 206 -30.136 -45.687 62.337 1.00 4.28 C +ATOM 514 CE LYS H 206 -31.495 -45.190 61.867 1.00 4.74 C +ATOM 515 NZ LYS H 206 -31.926 -43.957 62.567 1.00 5.15 N +ATOM 516 N VAL H 207 -24.659 -46.428 61.786 1.00 3.64 N +ATOM 517 CA VAL H 207 -23.431 -46.936 62.403 1.00 3.67 C +ATOM 518 C VAL H 207 -22.238 -46.022 62.106 1.00 3.68 C +ATOM 519 O VAL H 207 -21.447 -45.712 62.998 1.00 3.68 O +ATOM 520 CB VAL H 207 -23.114 -48.375 61.934 1.00 3.65 C +ATOM 521 CG1 VAL H 207 -21.761 -48.830 62.465 1.00 3.83 C +ATOM 522 CG2 VAL H 207 -24.205 -49.335 62.383 1.00 3.61 C +ATOM 523 N LEU H 208 -22.133 -45.581 60.853 1.00 3.64 N +ATOM 524 CA LEU H 208 -21.065 -44.675 60.425 1.00 3.62 C +ATOM 525 C LEU H 208 -21.253 -43.231 60.917 1.00 3.63 C +ATOM 526 O LEU H 208 -20.362 -42.392 60.746 1.00 3.58 O +ATOM 527 CB LEU H 208 -20.945 -44.688 58.895 1.00 3.56 C +ATOM 528 CG LEU H 208 -20.434 -45.986 58.263 1.00 3.50 C +ATOM 529 CD1 LEU H 208 -20.627 -45.955 56.754 1.00 3.07 C +ATOM 530 CD2 LEU H 208 -18.967 -46.228 58.616 1.00 2.95 C +ATOM 531 N GLY H 209 -22.410 -42.941 61.510 1.00 3.56 N +ATOM 532 CA GLY H 209 -22.697 -41.613 62.055 1.00 3.50 C +ATOM 533 C GLY H 209 -23.136 -40.602 61.010 1.00 3.48 C +ATOM 534 O GLY H 209 -23.202 -39.405 61.288 1.00 3.20 O +ATOM 535 N ILE H 210 -23.441 -41.084 59.806 1.00 3.54 N +ATOM 536 CA ILE H 210 -23.891 -40.218 58.722 1.00 3.61 C +ATOM 537 C ILE H 210 -25.277 -39.667 59.064 1.00 3.70 C +ATOM 538 O ILE H 210 -25.548 -38.481 58.865 1.00 3.80 O +ATOM 539 CB ILE H 210 -23.971 -40.965 57.375 1.00 3.59 C +ATOM 540 CG1 ILE H 210 -22.618 -41.587 56.991 1.00 4.13 C +ATOM 541 CG2 ILE H 210 -24.454 -40.027 56.279 1.00 3.70 C +ATOM 542 CD1 ILE H 210 -21.466 -40.609 56.914 1.00 4.38 C +ATOM 543 N LEU H 211 -26.148 -40.540 59.568 1.00 3.61 N +ATOM 544 CA LEU H 211 -27.458 -40.134 60.067 1.00 3.64 C +ATOM 545 C LEU H 211 -27.509 -40.358 61.571 1.00 3.72 C +ATOM 546 O LEU H 211 -26.851 -41.266 62.087 1.00 3.86 O +ATOM 547 CB LEU H 211 -28.572 -40.935 59.395 1.00 3.56 C +ATOM 548 CG LEU H 211 -28.714 -40.774 57.879 1.00 3.35 C +ATOM 549 CD1 LEU H 211 -29.779 -41.725 57.356 1.00 3.40 C +ATOM 550 CD2 LEU H 211 -29.041 -39.339 57.505 1.00 2.76 C +ATOM 551 N PRO H 212 -28.285 -39.528 62.287 1.00 3.72 N +ATOM 552 CA PRO H 212 -28.455 -39.759 63.717 1.00 3.67 C +ATOM 553 C PRO H 212 -29.248 -41.036 63.978 1.00 3.70 C +ATOM 554 O PRO H 212 -29.992 -41.494 63.106 1.00 3.63 O +ATOM 555 CB PRO H 212 -29.238 -38.528 64.179 1.00 3.64 C +ATOM 556 CG PRO H 212 -29.960 -38.063 62.970 1.00 3.60 C +ATOM 557 CD PRO H 212 -29.051 -38.356 61.822 1.00 3.70 C +ATOM 558 N PHE H 213 -29.089 -41.601 65.170 1.00 3.74 N +ATOM 559 CA PHE H 213 -29.779 -42.843 65.539 1.00 3.81 C +ATOM 560 C PHE H 213 -31.312 -42.705 65.462 1.00 3.88 C +ATOM 561 O PHE H 213 -32.017 -43.698 65.276 1.00 3.80 O +ATOM 562 CB PHE H 213 -29.350 -43.303 66.938 1.00 3.76 C +ATOM 563 CG PHE H 213 -30.071 -42.602 68.057 1.00 3.92 C +ATOM 564 CD1 PHE H 213 -29.744 -41.296 68.403 1.00 3.88 C +ATOM 565 CD2 PHE H 213 -31.082 -43.250 68.762 1.00 3.89 C +ATOM 566 CE1 PHE H 213 -30.410 -40.645 69.430 1.00 4.03 C +ATOM 567 CE2 PHE H 213 -31.751 -42.609 69.794 1.00 3.98 C +ATOM 568 CZ PHE H 213 -31.416 -41.303 70.130 1.00 4.17 C +ATOM 569 N ASN H 214 -31.804 -41.473 65.606 1.00 4.02 N +ATOM 570 CA ASN H 214 -33.236 -41.158 65.495 1.00 4.14 C +ATOM 571 C ASN H 214 -33.793 -41.188 64.070 1.00 4.08 C +ATOM 572 O ASN H 214 -35.010 -41.239 63.889 1.00 3.98 O +ATOM 573 CB ASN H 214 -33.526 -39.769 66.090 1.00 4.26 C +ATOM 574 CG ASN H 214 -33.759 -39.802 67.588 1.00 4.65 C +ATOM 575 OD1 ASN H 214 -33.758 -40.866 68.209 1.00 5.45 O +ATOM 576 ND2 ASN H 214 -33.975 -38.627 68.178 1.00 5.15 N +ATOM 577 N ALA H 215 -32.914 -41.128 63.072 1.00 4.05 N +ATOM 578 CA ALA H 215 -33.331 -41.084 61.664 1.00 4.07 C +ATOM 579 C ALA H 215 -34.390 -42.158 61.347 1.00 4.04 C +ATOM 580 O ALA H 215 -34.091 -43.356 61.384 1.00 3.98 O +ATOM 581 CB ALA H 215 -32.121 -41.244 60.749 1.00 4.00 C +ATOM 582 N PRO H 216 -35.631 -41.731 61.042 1.00 4.07 N +ATOM 583 CA PRO H 216 -36.718 -42.689 60.798 1.00 4.13 C +ATOM 584 C PRO H 216 -36.614 -43.369 59.430 1.00 4.11 C +ATOM 585 O PRO H 216 -37.088 -44.494 59.258 1.00 4.31 O +ATOM 586 CB PRO H 216 -37.977 -41.816 60.876 1.00 4.06 C +ATOM 587 CG PRO H 216 -37.517 -40.465 60.434 1.00 4.11 C +ATOM 588 CD PRO H 216 -36.073 -40.335 60.850 1.00 4.07 C +ATOM 589 N SER H 217 -36.012 -42.668 58.474 1.00 4.04 N +ATOM 590 CA ASER H 217 -35.806 -43.185 57.125 0.50 3.97 C +ATOM 591 CA BSER H 217 -35.784 -43.202 57.135 0.50 4.02 C +ATOM 592 C SER H 217 -34.718 -42.358 56.444 1.00 3.98 C +ATOM 593 O SER H 217 -34.122 -41.477 57.066 1.00 3.99 O +ATOM 594 CB ASER H 217 -37.111 -43.110 56.327 0.50 3.92 C +ATOM 595 CB BSER H 217 -37.082 -43.194 56.324 0.50 3.98 C +ATOM 596 OG ASER H 217 -37.538 -41.767 56.174 0.50 3.71 O +ATOM 597 OG BSER H 217 -36.950 -43.992 55.164 0.50 4.09 O +ATOM 598 N CYS H 218 -34.462 -42.636 55.169 1.00 3.96 N +ATOM 599 CA CYS H 218 -33.499 -41.851 54.404 1.00 3.98 C +ATOM 600 C CYS H 218 -33.737 -41.968 52.901 1.00 4.01 C +ATOM 601 O CYS H 218 -33.644 -43.057 52.329 1.00 4.06 O +ATOM 602 CB CYS H 218 -32.074 -42.282 54.735 1.00 3.96 C +ATOM 603 SG CYS H 218 -30.815 -41.271 53.929 1.00 4.37 S +ATOM 604 N GLY H 219 -34.043 -40.837 52.272 1.00 3.95 N +ATOM 605 CA GLY H 219 -34.242 -40.785 50.830 1.00 3.89 C +ATOM 606 C GLY H 219 -32.937 -40.918 50.062 1.00 3.91 C +ATOM 607 O GLY H 219 -31.871 -40.535 50.555 1.00 3.84 O +ATOM 608 N LEU H 220 -33.033 -41.467 48.853 1.00 3.87 N +ATOM 609 CA LEU H 220 -31.888 -41.637 47.964 1.00 3.92 C +ATOM 610 C LEU H 220 -32.182 -41.031 46.591 1.00 3.91 C +ATOM 611 O LEU H 220 -33.323 -41.045 46.129 1.00 3.76 O +ATOM 612 CB LEU H 220 -31.526 -43.119 47.818 1.00 3.93 C +ATOM 613 CG LEU H 220 -30.824 -43.798 49.000 1.00 3.92 C +ATOM 614 CD1 LEU H 220 -30.617 -45.284 48.704 1.00 3.41 C +ATOM 615 CD2 LEU H 220 -29.496 -43.116 49.327 1.00 3.09 C +ATOM 616 N ILE H 221 -31.138 -40.500 45.955 1.00 3.88 N +ATOM 617 CA ILE H 221 -31.250 -39.847 44.653 1.00 3.89 C +ATOM 618 C ILE H 221 -30.061 -40.253 43.777 1.00 3.87 C +ATOM 619 O ILE H 221 -28.922 -40.286 44.247 1.00 3.87 O +ATOM 620 CB ILE H 221 -31.299 -38.303 44.821 1.00 3.97 C +ATOM 621 CG1 ILE H 221 -31.624 -37.607 43.496 1.00 4.12 C +ATOM 622 CG2 ILE H 221 -29.985 -37.773 45.382 1.00 3.89 C +ATOM 623 CD1 ILE H 221 -31.885 -36.118 43.644 1.00 3.98 C +ATOM 624 N THR H 222 -30.321 -40.574 42.513 1.00 3.82 N +ATOM 625 CA THR H 222 -29.246 -40.986 41.606 1.00 3.85 C +ATOM 626 C THR H 222 -28.336 -39.801 41.301 1.00 3.86 C +ATOM 627 O THR H 222 -28.767 -38.646 41.366 1.00 3.92 O +ATOM 628 CB THR H 222 -29.772 -41.565 40.273 1.00 3.83 C +ATOM 629 OG1 THR H 222 -30.317 -40.514 39.466 1.00 3.98 O +ATOM 630 CG2 THR H 222 -30.833 -42.627 40.522 1.00 3.81 C +ATOM 631 N LEU H 223 -27.079 -40.092 40.974 1.00 3.87 N +ATOM 632 CA LEU H 223 -26.110 -39.049 40.631 1.00 3.85 C +ATOM 633 C LEU H 223 -26.593 -38.210 39.453 1.00 3.83 C +ATOM 634 O LEU H 223 -26.514 -36.984 39.485 1.00 3.91 O +ATOM 635 CB LEU H 223 -24.748 -39.665 40.298 1.00 3.88 C +ATOM 636 CG LEU H 223 -23.618 -38.685 39.957 1.00 3.81 C +ATOM 637 CD1 LEU H 223 -23.474 -37.614 41.029 1.00 3.41 C +ATOM 638 CD2 LEU H 223 -22.312 -39.436 39.764 1.00 3.58 C +ATOM 639 N THR H 224 -27.101 -38.884 38.425 1.00 3.85 N +ATOM 640 CA ATHR H 224 -27.591 -38.212 37.221 0.50 3.87 C +ATOM 641 CA BTHR H 224 -27.590 -38.213 37.223 0.50 3.83 C +ATOM 642 C THR H 224 -28.776 -37.292 37.530 1.00 3.84 C +ATOM 643 O THR H 224 -28.870 -36.193 36.985 1.00 3.92 O +ATOM 644 CB ATHR H 224 -27.970 -39.225 36.107 0.50 3.88 C +ATOM 645 CB BTHR H 224 -27.984 -39.234 36.141 0.50 3.83 C +ATOM 646 OG1ATHR H 224 -28.371 -38.519 34.924 0.50 3.87 O +ATOM 647 OG1BTHR H 224 -26.906 -40.160 35.947 0.50 3.66 O +ATOM 648 CG2ATHR H 224 -29.100 -40.148 36.554 0.50 3.94 C +ATOM 649 CG2BTHR H 224 -28.294 -38.534 34.823 0.50 3.80 C +ATOM 650 N ASP H 225 -29.676 -37.738 38.405 1.00 3.81 N +ATOM 651 CA ASP H 225 -30.801 -36.901 38.838 1.00 3.78 C +ATOM 652 C ASP H 225 -30.312 -35.769 39.746 1.00 3.70 C +ATOM 653 O ASP H 225 -30.789 -34.638 39.646 1.00 3.72 O +ATOM 654 CB ASP H 225 -31.870 -37.730 39.566 1.00 3.79 C +ATOM 655 CG ASP H 225 -32.782 -38.506 38.610 1.00 4.20 C +ATOM 656 OD1 ASP H 225 -32.538 -38.510 37.380 1.00 4.60 O +ATOM 657 OD2 ASP H 225 -33.760 -39.114 39.098 1.00 4.08 O +ATOM 658 N ALA H 226 -29.366 -36.076 40.632 1.00 3.61 N +ATOM 659 CA ALA H 226 -28.790 -35.069 41.530 1.00 3.53 C +ATOM 660 C ALA H 226 -28.165 -33.922 40.737 1.00 3.47 C +ATOM 661 O ALA H 226 -28.354 -32.752 41.070 1.00 3.47 O +ATOM 662 CB ALA H 226 -27.760 -35.703 42.449 1.00 3.46 C +ATOM 663 N GLN H 227 -27.431 -34.267 39.683 1.00 3.39 N +ATOM 664 CA GLN H 227 -26.848 -33.273 38.779 1.00 3.45 C +ATOM 665 C GLN H 227 -27.915 -32.420 38.086 1.00 3.44 C +ATOM 666 O GLN H 227 -27.735 -31.214 37.928 1.00 3.43 O +ATOM 667 CB GLN H 227 -25.956 -33.956 37.739 1.00 3.43 C +ATOM 668 CG GLN H 227 -24.658 -34.498 38.329 1.00 3.59 C +ATOM 669 CD GLN H 227 -23.882 -35.380 37.366 1.00 3.84 C +ATOM 670 OE1 GLN H 227 -24.464 -36.155 36.601 1.00 4.04 O +ATOM 671 NE2 GLN H 227 -22.558 -35.274 37.407 1.00 3.53 N +ATOM 672 N ARG H 228 -29.017 -33.049 37.681 1.00 3.43 N +ATOM 673 CA ARG H 228 -30.165 -32.330 37.113 1.00 3.49 C +ATOM 674 C ARG H 228 -30.740 -31.322 38.098 1.00 3.43 C +ATOM 675 O ARG H 228 -31.057 -30.190 37.730 1.00 3.40 O +ATOM 676 CB ARG H 228 -31.285 -33.298 36.709 1.00 3.55 C +ATOM 677 CG ARG H 228 -31.206 -33.827 35.298 1.00 3.67 C +ATOM 678 CD ARG H 228 -32.503 -34.557 34.922 1.00 4.00 C +ATOM 679 NE ARG H 228 -32.590 -34.818 33.488 1.00 3.99 N +ATOM 680 CZ ARG H 228 -32.862 -33.896 32.567 1.00 4.62 C +ATOM 681 NH1 ARG H 228 -33.080 -32.630 32.910 1.00 4.90 N +ATOM 682 NH2 ARG H 228 -32.915 -34.240 31.285 1.00 5.04 N +ATOM 683 N LEU H 229 -30.899 -31.752 39.344 1.00 3.46 N +ATOM 684 CA LEU H 229 -31.454 -30.893 40.385 1.00 3.54 C +ATOM 685 C LEU H 229 -30.532 -29.704 40.627 1.00 3.58 C +ATOM 686 O LEU H 229 -30.984 -28.561 40.687 1.00 3.52 O +ATOM 687 CB LEU H 229 -31.651 -31.683 41.679 1.00 3.51 C +ATOM 688 CG LEU H 229 -32.385 -30.969 42.815 1.00 3.48 C +ATOM 689 CD1 LEU H 229 -33.804 -30.617 42.410 1.00 3.23 C +ATOM 690 CD2 LEU H 229 -32.390 -31.838 44.061 1.00 3.52 C +ATOM 691 N CYS H 230 -29.238 -29.990 40.755 1.00 3.68 N +ATOM 692 CA CYS H 230 -28.223 -28.955 40.959 1.00 3.78 C +ATOM 693 C CYS H 230 -28.109 -28.028 39.751 1.00 3.71 C +ATOM 694 O CYS H 230 -27.980 -26.818 39.916 1.00 3.74 O +ATOM 695 CB CYS H 230 -26.864 -29.586 41.269 1.00 3.80 C +ATOM 696 SG CYS H 230 -26.829 -30.517 42.830 1.00 4.43 S +ATOM 697 N ASN H 231 -28.160 -28.595 38.546 1.00 3.64 N +ATOM 698 CA ASN H 231 -28.167 -27.792 37.318 1.00 3.58 C +ATOM 699 C ASN H 231 -29.403 -26.901 37.222 1.00 3.51 C +ATOM 700 O ASN H 231 -29.319 -25.772 36.747 1.00 3.52 O +ATOM 701 CB ASN H 231 -28.081 -28.682 36.067 1.00 3.54 C +ATOM 702 CG ASN H 231 -26.663 -29.143 35.762 1.00 3.48 C +ATOM 703 OD1 ASN H 231 -25.708 -28.763 36.442 1.00 3.75 O +ATOM 704 ND2 ASN H 231 -26.521 -29.966 34.728 1.00 2.81 N +ATOM 705 N ALA H 232 -30.542 -27.411 37.681 1.00 3.47 N +ATOM 706 CA ALA H 232 -31.807 -26.684 37.603 1.00 3.47 C +ATOM 707 C ALA H 232 -31.847 -25.492 38.553 1.00 3.44 C +ATOM 708 O ALA H 232 -32.331 -24.420 38.195 1.00 3.41 O +ATOM 709 CB ALA H 232 -32.972 -27.624 37.888 1.00 3.45 C +ATOM 710 N LEU H 233 -31.333 -25.684 39.762 1.00 3.51 N +ATOM 711 CA LEU H 233 -31.386 -24.654 40.800 1.00 3.53 C +ATOM 712 C LEU H 233 -30.234 -23.658 40.707 1.00 3.49 C +ATOM 713 O LEU H 233 -30.444 -22.456 40.858 1.00 3.44 O +ATOM 714 CB LEU H 233 -31.406 -25.305 42.186 1.00 3.55 C +ATOM 715 CG LEU H 233 -32.703 -26.050 42.515 1.00 3.53 C +ATOM 716 CD1 LEU H 233 -32.505 -26.997 43.687 1.00 3.53 C +ATOM 717 CD2 LEU H 233 -33.827 -25.067 42.800 1.00 3.39 C +ATOM 718 N LEU H 234 -29.026 -24.162 40.459 1.00 3.56 N +ATOM 719 CA LEU H 234 -27.815 -23.327 40.436 1.00 3.60 C +ATOM 720 C LEU H 234 -27.520 -22.703 39.070 1.00 3.65 C +ATOM 721 O LEU H 234 -26.887 -21.649 39.005 1.00 3.67 O +ATOM 722 CB LEU H 234 -26.588 -24.134 40.883 1.00 3.59 C +ATOM 723 CG LEU H 234 -26.687 -24.912 42.197 1.00 3.49 C +ATOM 724 CD1 LEU H 234 -25.444 -25.769 42.387 1.00 3.24 C +ATOM 725 CD2 LEU H 234 -26.891 -23.974 43.373 1.00 3.42 C +ATOM 726 N ARG H 235 -27.967 -23.349 37.990 1.00 3.67 N +ATOM 727 CA ARG H 235 -27.633 -22.916 36.626 1.00 3.67 C +ATOM 728 C ARG H 235 -28.846 -22.918 35.684 1.00 3.67 C +ATOM 729 O ARG H 235 -28.879 -23.681 34.715 1.00 3.58 O +ATOM 730 CB ARG H 235 -26.517 -23.800 36.051 1.00 3.65 C +ATOM 731 CG ARG H 235 -25.163 -23.599 36.708 1.00 3.67 C +ATOM 732 CD ARG H 235 -24.111 -24.537 36.132 1.00 3.72 C +ATOM 733 NE ARG H 235 -24.242 -25.906 36.633 1.00 3.82 N +ATOM 734 CZ ARG H 235 -23.860 -26.319 37.842 1.00 3.91 C +ATOM 735 NH1 ARG H 235 -23.319 -25.475 38.718 1.00 3.96 N +ATOM 736 NH2 ARG H 235 -24.028 -27.590 38.187 1.00 3.99 N +ATOM 737 N PRO H 236 -29.841 -22.052 35.955 1.00 3.70 N +ATOM 738 CA PRO H 236 -31.032 -21.959 35.105 1.00 3.73 C +ATOM 739 C PRO H 236 -30.751 -21.571 33.647 1.00 3.83 C +ATOM 740 O PRO H 236 -29.616 -21.251 33.292 1.00 3.85 O +ATOM 741 CB PRO H 236 -31.887 -20.887 35.800 1.00 3.71 C +ATOM 742 CG PRO H 236 -30.973 -20.186 36.729 1.00 3.71 C +ATOM 743 CD PRO H 236 -29.957 -21.192 37.144 1.00 3.71 C +ATOM 744 N ARG H 237 -31.806 -21.593 32.835 1.00 3.91 N +ATOM 745 CA ARG H 237 -31.730 -21.425 31.375 1.00 3.97 C +ATOM 746 C ARG H 237 -30.567 -22.201 30.749 1.00 3.99 C +ATOM 747 O ARG H 237 -30.737 -23.343 30.316 1.00 4.01 O +ATOM 748 CB ARG H 237 -31.699 -19.943 30.967 1.00 3.97 C +ATOM 749 CG ARG H 237 -30.493 -19.140 31.434 1.00 4.12 C +ATOM 750 CD ARG H 237 -30.518 -17.734 30.857 1.00 4.27 C +ATOM 751 NE ARG H 237 -30.346 -17.732 29.403 1.00 4.39 N +ATOM 752 CZ ARG H 237 -29.173 -17.726 28.770 1.00 4.48 C +ATOM 753 NH1 ARG H 237 -28.026 -17.731 29.446 1.00 4.52 N +ATOM 754 NH2 ARG H 237 -29.145 -17.719 27.441 1.00 4.55 N Added: SwiftApps/modFTdock/input/indata/3eq5-9.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3eq5-9.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3eq5-9.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,750 @@ +ATOM 1 N LEU I 144 -27.768 15.621 38.511 1.00 3.98 N +ATOM 2 CA LEU I 144 -26.745 14.761 37.852 1.00 3.89 C +ATOM 3 C LEU I 144 -25.579 15.610 37.330 1.00 3.86 C +ATOM 4 O LEU I 144 -25.630 16.141 36.215 1.00 3.83 O +ATOM 5 CB LEU I 144 -27.396 13.964 36.720 1.00 3.90 C +ATOM 6 CG LEU I 144 -26.956 12.510 36.605 1.00 3.89 C +ATOM 7 CD1 LEU I 144 -27.483 11.719 37.781 1.00 3.80 C +ATOM 8 CD2 LEU I 144 -27.451 11.907 35.301 1.00 4.19 C +ATOM 9 N THR I 145 -24.540 15.747 38.153 1.00 3.81 N +ATOM 10 CA THR I 145 -23.335 16.486 37.768 1.00 3.80 C +ATOM 11 C THR I 145 -22.543 15.705 36.725 1.00 3.81 C +ATOM 12 O THR I 145 -22.685 14.485 36.613 1.00 3.79 O +ATOM 13 CB THR I 145 -22.414 16.779 38.980 1.00 3.76 C +ATOM 14 OG1 THR I 145 -22.441 15.673 39.888 1.00 3.97 O +ATOM 15 CG2 THR I 145 -22.855 18.027 39.711 1.00 3.79 C +ATOM 16 N GLN I 146 -21.709 16.419 35.970 1.00 3.84 N +ATOM 17 CA GLN I 146 -20.914 15.823 34.894 1.00 3.86 C +ATOM 18 C GLN I 146 -19.424 15.905 35.190 1.00 3.78 C +ATOM 19 O GLN I 146 -18.911 16.966 35.542 1.00 3.84 O +ATOM 20 CB GLN I 146 -21.201 16.530 33.565 1.00 3.91 C +ATOM 21 CG GLN I 146 -22.636 16.402 33.086 1.00 4.02 C +ATOM 22 CD GLN I 146 -23.070 14.959 32.951 1.00 4.39 C +ATOM 23 OE1 GLN I 146 -23.949 14.496 33.680 1.00 4.80 O +ATOM 24 NE2 GLN I 146 -22.439 14.231 32.033 1.00 4.55 N +ATOM 25 N THR I 147 -18.735 14.779 35.039 1.00 3.75 N +ATOM 26 CA THR I 147 -17.280 14.737 35.162 1.00 3.74 C +ATOM 27 C THR I 147 -16.676 14.103 33.910 1.00 3.62 C +ATOM 28 O THR I 147 -17.207 13.126 33.377 1.00 3.60 O +ATOM 29 CB THR I 147 -16.833 13.973 36.425 1.00 3.76 C +ATOM 30 OG1 THR I 147 -15.434 14.189 36.652 1.00 4.10 O +ATOM 31 CG2 THR I 147 -17.104 12.484 36.290 1.00 3.83 C +ATOM 32 N VAL I 148 -15.576 14.677 33.434 1.00 3.51 N +ATOM 33 CA VAL I 148 -14.936 14.203 32.215 1.00 3.41 C +ATOM 34 C VAL I 148 -13.947 13.092 32.551 1.00 3.31 C +ATOM 35 O VAL I 148 -13.073 13.269 33.398 1.00 3.32 O +ATOM 36 CB VAL I 148 -14.217 15.345 31.470 1.00 3.43 C +ATOM 37 CG1 VAL I 148 -13.573 14.826 30.193 1.00 3.37 C +ATOM 38 CG2 VAL I 148 -15.197 16.465 31.152 1.00 3.17 C +ATOM 39 N LEU I 149 -14.123 11.943 31.903 1.00 3.25 N +ATOM 40 CA LEU I 149 -13.213 10.809 32.020 1.00 3.17 C +ATOM 41 C LEU I 149 -12.760 10.408 30.627 1.00 3.20 C +ATOM 42 O LEU I 149 -13.591 10.082 29.779 1.00 3.13 O +ATOM 43 CB LEU I 149 -13.908 9.623 32.693 1.00 3.13 C +ATOM 44 CG LEU I 149 -13.075 8.345 32.829 1.00 2.77 C +ATOM 45 CD1 LEU I 149 -11.858 8.593 33.705 1.00 2.44 C +ATOM 46 CD2 LEU I 149 -13.912 7.206 33.383 1.00 2.29 C +ATOM 47 N GLU I 150 -11.448 10.435 30.400 1.00 3.20 N +ATOM 48 CA GLU I 150 -10.853 10.068 29.111 1.00 3.24 C +ATOM 49 C GLU I 150 -11.474 10.841 27.938 1.00 3.26 C +ATOM 50 O GLU I 150 -11.851 10.257 26.918 1.00 3.11 O +ATOM 51 CB GLU I 150 -10.965 8.557 28.888 1.00 3.20 C +ATOM 52 CG GLU I 150 -10.253 7.729 29.946 1.00 3.46 C +ATOM 53 CD GLU I 150 -8.739 7.757 29.807 1.00 3.34 C +ATOM 54 OE1 GLU I 150 -8.232 7.487 28.699 1.00 3.02 O +ATOM 55 OE2 GLU I 150 -8.054 8.035 30.811 1.00 3.60 O +ATOM 56 N GLY I 151 -11.576 12.158 28.101 1.00 3.32 N +ATOM 57 CA GLY I 151 -12.157 13.036 27.082 1.00 3.35 C +ATOM 58 C GLY I 151 -13.630 12.778 26.809 1.00 3.37 C +ATOM 59 O GLY I 151 -14.119 13.044 25.712 1.00 3.35 O +ATOM 60 N GLU I 152 -14.338 12.271 27.816 1.00 3.43 N +ATOM 61 CA GLU I 152 -15.731 11.858 27.668 1.00 3.43 C +ATOM 62 C GLU I 152 -16.518 12.217 28.925 1.00 3.43 C +ATOM 63 O GLU I 152 -16.100 11.899 30.033 1.00 3.37 O +ATOM 64 CB GLU I 152 -15.799 10.348 27.417 1.00 3.44 C +ATOM 65 CG GLU I 152 -17.008 9.895 26.614 1.00 3.49 C +ATOM 66 CD GLU I 152 -16.908 10.236 25.139 1.00 3.23 C +ATOM 67 OE1 GLU I 152 -17.873 10.814 24.596 1.00 3.29 O +ATOM 68 OE2 GLU I 152 -15.867 9.929 24.524 1.00 2.80 O +ATOM 69 N SER I 153 -17.658 12.877 28.744 1.00 3.59 N +ATOM 70 CA SER I 153 -18.483 13.324 29.868 1.00 3.66 C +ATOM 71 C SER I 153 -19.306 12.177 30.464 1.00 3.68 C +ATOM 72 O SER I 153 -20.096 11.546 29.764 1.00 3.72 O +ATOM 73 CB SER I 153 -19.415 14.448 29.425 1.00 3.64 C +ATOM 74 OG SER I 153 -20.083 15.007 30.540 1.00 3.85 O +ATOM 75 N ILE I 154 -19.110 11.919 31.757 1.00 3.72 N +ATOM 76 CA ILE I 154 -19.810 10.842 32.466 1.00 3.71 C +ATOM 77 C ILE I 154 -20.658 11.411 33.609 1.00 3.70 C +ATOM 78 O ILE I 154 -20.228 12.322 34.322 1.00 3.70 O +ATOM 79 CB ILE I 154 -18.814 9.784 33.015 1.00 3.67 C +ATOM 80 CG1 ILE I 154 -18.471 8.752 31.938 1.00 3.76 C +ATOM 81 CG2 ILE I 154 -19.400 9.040 34.204 1.00 3.65 C +ATOM 82 CD1 ILE I 154 -17.800 9.326 30.715 1.00 4.08 C +ATOM 83 N SER I 155 -21.863 10.867 33.767 1.00 3.64 N +ATOM 84 CA SER I 155 -22.773 11.274 34.837 1.00 3.59 C +ATOM 85 C SER I 155 -22.345 10.656 36.158 1.00 3.51 C +ATOM 86 O SER I 155 -21.920 9.499 36.202 1.00 3.41 O +ATOM 87 CB SER I 155 -24.205 10.839 34.522 1.00 3.59 C +ATOM 88 OG SER I 155 -24.703 11.497 33.373 1.00 3.73 O +ATOM 89 N CYS I 156 -22.473 11.426 37.234 1.00 3.47 N +ATOM 90 CA CYS I 156 -22.048 10.967 38.550 1.00 3.54 C +ATOM 91 C CYS I 156 -22.877 11.573 39.679 1.00 3.51 C +ATOM 92 O CYS I 156 -23.449 12.654 39.532 1.00 3.47 O +ATOM 93 CB CYS I 156 -20.557 11.271 38.761 1.00 3.57 C +ATOM 94 SG CYS I 156 -20.013 12.872 38.133 1.00 3.73 S +ATOM 95 N PHE I 157 -22.933 10.847 40.796 1.00 3.54 N +ATOM 96 CA PHE I 157 -23.597 11.294 42.019 1.00 3.57 C +ATOM 97 C PHE I 157 -22.554 11.653 43.072 1.00 3.68 C +ATOM 98 O PHE I 157 -21.359 11.429 42.875 1.00 3.72 O +ATOM 99 CB PHE I 157 -24.498 10.190 42.574 1.00 3.52 C +ATOM 100 CG PHE I 157 -25.622 9.800 41.660 1.00 3.44 C +ATOM 101 CD1 PHE I 157 -25.617 8.570 41.016 1.00 3.42 C +ATOM 102 CD2 PHE I 157 -26.689 10.658 41.449 1.00 3.32 C +ATOM 103 CE1 PHE I 157 -26.655 8.204 40.177 1.00 3.36 C +ATOM 104 CE2 PHE I 157 -27.734 10.298 40.612 1.00 3.41 C +ATOM 105 CZ PHE I 157 -27.716 9.069 39.974 1.00 3.41 C +ATOM 106 N GLN I 158 -23.019 12.200 44.192 1.00 3.78 N +ATOM 107 CA GLN I 158 -22.150 12.560 45.310 1.00 3.82 C +ATOM 108 C GLN I 158 -22.348 11.587 46.474 1.00 3.83 C +ATOM 109 O GLN I 158 -23.479 11.335 46.890 1.00 3.80 O +ATOM 110 CB GLN I 158 -22.447 13.991 45.768 1.00 3.83 C +ATOM 111 CG GLN I 158 -21.246 14.712 46.374 1.00 4.03 C +ATOM 112 CD GLN I 158 -20.164 15.040 45.349 1.00 4.32 C +ATOM 113 OE1 GLN I 158 -20.384 14.952 44.137 1.00 4.43 O +ATOM 114 NE2 GLN I 158 -18.987 15.421 45.837 1.00 4.33 N +ATOM 115 N VAL I 159 -21.247 11.036 46.983 1.00 3.85 N +ATOM 116 CA VAL I 159 -21.272 10.176 48.169 1.00 3.85 C +ATOM 117 C VAL I 159 -20.067 10.494 49.057 1.00 3.89 C +ATOM 118 O VAL I 159 -18.933 10.137 48.726 1.00 3.95 O +ATOM 119 CB VAL I 159 -21.252 8.670 47.803 1.00 3.87 C +ATOM 120 CG1 VAL I 159 -21.375 7.815 49.059 1.00 3.82 C +ATOM 121 CG2 VAL I 159 -22.369 8.332 46.823 1.00 3.80 C +ATOM 122 N GLY I 160 -20.320 11.173 50.175 1.00 3.90 N +ATOM 123 CA GLY I 160 -19.277 11.507 51.147 1.00 3.89 C +ATOM 124 C GLY I 160 -18.163 12.380 50.595 1.00 3.91 C +ATOM 125 O GLY I 160 -16.992 12.182 50.925 1.00 3.92 O +ATOM 126 N GLY I 161 -18.529 13.349 49.757 1.00 3.91 N +ATOM 127 CA GLY I 161 -17.560 14.253 49.135 1.00 3.88 C +ATOM 128 C GLY I 161 -16.698 13.571 48.087 1.00 3.89 C +ATOM 129 O GLY I 161 -15.497 13.834 47.994 1.00 3.89 O +ATOM 130 N GLU I 162 -17.315 12.689 47.303 1.00 3.86 N +ATOM 131 CA GLU I 162 -16.622 11.950 46.249 1.00 3.81 C +ATOM 132 C GLU I 162 -17.518 11.837 45.022 1.00 3.73 C +ATOM 133 O GLU I 162 -18.672 11.422 45.134 1.00 3.71 O +ATOM 134 CB GLU I 162 -16.255 10.537 46.726 1.00 3.86 C +ATOM 135 CG GLU I 162 -15.518 10.473 48.067 1.00 3.92 C +ATOM 136 CD GLU I 162 -15.123 9.057 48.468 1.00 3.94 C +ATOM 137 OE1 GLU I 162 -15.341 8.115 47.676 1.00 3.84 O +ATOM 138 OE2 GLU I 162 -14.591 8.889 49.585 1.00 3.94 O +ATOM 139 N LYS I 163 -16.992 12.208 43.857 0.60 3.63 N +ATOM 140 CA LYS I 163 -17.700 11.974 42.606 0.60 3.54 C +ATOM 141 C LYS I 163 -17.690 10.475 42.347 0.60 3.53 C +ATOM 142 O LYS I 163 -16.623 9.874 42.237 0.60 3.54 O +ATOM 143 CB LYS I 163 -17.035 12.700 41.434 0.60 3.51 C +ATOM 144 CG LYS I 163 -16.927 14.206 41.589 0.60 3.44 C +ATOM 145 CD LYS I 163 -16.505 14.862 40.277 0.60 3.40 C +ATOM 146 CE LYS I 163 -15.748 16.163 40.508 0.60 3.42 C +ATOM 147 NZ LYS I 163 -16.500 17.122 41.364 0.60 3.42 N +ATOM 148 N ARG I 164 -18.875 9.875 42.284 1.00 3.49 N +ATOM 149 CA ARG I 164 -19.018 8.457 41.970 1.00 3.46 C +ATOM 150 C ARG I 164 -19.715 8.303 40.619 1.00 3.50 C +ATOM 151 O ARG I 164 -20.852 8.737 40.449 1.00 3.42 O +ATOM 152 CB ARG I 164 -19.794 7.729 43.071 1.00 3.45 C +ATOM 153 CG ARG I 164 -18.935 7.305 44.262 1.00 3.33 C +ATOM 154 CD ARG I 164 -19.606 6.215 45.093 1.00 3.28 C +ATOM 155 NE ARG I 164 -18.710 5.657 46.113 1.00 3.31 N +ATOM 156 CZ ARG I 164 -17.859 4.643 45.928 1.00 3.27 C +ATOM 157 NH1 ARG I 164 -17.099 4.231 46.937 1.00 3.08 N +ATOM 158 NH2 ARG I 164 -17.750 4.035 44.750 1.00 3.34 N +ATOM 159 N LEU I 165 -19.024 7.667 39.675 1.00 3.53 N +ATOM 160 CA LEU I 165 -19.444 7.624 38.271 1.00 3.51 C +ATOM 161 C LEU I 165 -20.279 6.391 37.943 1.00 3.63 C +ATOM 162 O LEU I 165 -20.057 5.314 38.491 1.00 3.46 O +ATOM 163 CB LEU I 165 -18.220 7.642 37.353 1.00 3.45 C +ATOM 164 CG LEU I 165 -17.395 8.930 37.239 1.00 3.19 C +ATOM 165 CD1 LEU I 165 -16.901 9.431 38.588 1.00 2.83 C +ATOM 166 CD2 LEU I 165 -16.232 8.693 36.299 1.00 2.00 C +ATOM 167 N CYS I 166 -21.236 6.565 37.036 1.00 3.84 N +ATOM 168 CA CYS I 166 -22.003 5.449 36.497 1.00 3.99 C +ATOM 169 C CYS I 166 -21.049 4.501 35.790 1.00 3.89 C +ATOM 170 O CYS I 166 -20.462 4.860 34.772 1.00 4.19 O +ATOM 171 CB CYS I 166 -23.059 5.948 35.513 1.00 3.98 C +ATOM 172 SG CYS I 166 -24.245 4.670 35.003 1.00 5.07 S +ATOM 173 N LEU I 167 -20.879 3.302 36.340 1.00 3.85 N +ATOM 174 CA LEU I 167 -19.900 2.336 35.814 1.00 3.77 C +ATOM 175 C LEU I 167 -20.269 1.802 34.417 1.00 3.65 C +ATOM 176 O LEU I 167 -19.398 1.681 33.563 1.00 3.62 O +ATOM 177 CB LEU I 167 -19.681 1.188 36.813 1.00 3.76 C +ATOM 178 CG LEU I 167 -18.663 0.109 36.440 1.00 3.87 C +ATOM 179 CD1 LEU I 167 -17.257 0.694 36.306 1.00 3.24 C +ATOM 180 CD2 LEU I 167 -18.700 -1.004 37.479 1.00 3.98 C +ATOM 181 N PRO I 168 -21.556 1.487 34.176 1.00 3.60 N +ATOM 182 CA PRO I 168 -21.956 1.071 32.824 1.00 3.61 C +ATOM 183 C PRO I 168 -21.767 2.140 31.746 1.00 3.57 C +ATOM 184 O PRO I 168 -21.539 1.810 30.585 1.00 3.37 O +ATOM 185 CB PRO I 168 -23.444 0.746 32.988 1.00 3.48 C +ATOM 186 CG PRO I 168 -23.573 0.353 34.398 1.00 3.50 C +ATOM 187 CD PRO I 168 -22.639 1.254 35.145 1.00 3.49 C +ATOM 188 N GLN I 169 -21.885 3.408 32.131 1.00 3.67 N +ATOM 189 CA GLN I 169 -21.644 4.517 31.209 1.00 3.59 C +ATOM 190 C GLN I 169 -20.159 4.613 30.878 1.00 3.53 C +ATOM 191 O GLN I 169 -19.796 4.957 29.756 1.00 3.55 O +ATOM 192 CB GLN I 169 -22.151 5.835 31.803 1.00 3.60 C +ATOM 193 CG GLN I 169 -22.192 6.991 30.810 1.00 3.55 C +ATOM 194 CD GLN I 169 -22.741 8.275 31.414 1.00 3.59 C +ATOM 195 OE1 GLN I 169 -22.985 8.359 32.618 1.00 3.65 O +ATOM 196 NE2 GLN I 169 -22.934 9.285 30.575 1.00 3.63 N +ATOM 197 N VAL I 170 -19.308 4.311 31.856 1.00 3.55 N +ATOM 198 CA VAL I 170 -17.863 4.191 31.618 1.00 3.57 C +ATOM 199 C VAL I 170 -17.590 3.036 30.646 1.00 3.57 C +ATOM 200 O VAL I 170 -16.762 3.166 29.748 1.00 3.42 O +ATOM 201 CB VAL I 170 -17.072 3.986 32.940 1.00 3.64 C +ATOM 202 CG1 VAL I 170 -15.600 3.728 32.660 1.00 3.50 C +ATOM 203 CG2 VAL I 170 -17.232 5.197 33.858 1.00 3.38 C +ATOM 204 N LEU I 171 -18.310 1.925 30.823 1.00 3.65 N +ATOM 205 CA LEU I 171 -18.240 0.772 29.908 1.00 3.83 C +ATOM 206 C LEU I 171 -18.554 1.102 28.454 1.00 3.85 C +ATOM 207 O LEU I 171 -17.785 0.753 27.555 1.00 3.81 O +ATOM 208 CB LEU I 171 -19.193 -0.351 30.348 1.00 3.84 C +ATOM 209 CG LEU I 171 -18.536 -1.565 30.991 1.00 4.38 C +ATOM 210 CD1 LEU I 171 -17.587 -2.262 30.014 1.00 4.16 C +ATOM 211 CD2 LEU I 171 -17.798 -1.127 32.255 1.00 5.29 C +ATOM 212 N ASN I 172 -19.689 1.755 28.231 1.00 3.85 N +ATOM 213 CA ASN I 172 -20.187 2.007 26.874 1.00 4.03 C +ATOM 214 C ASN I 172 -19.565 3.221 26.178 1.00 3.89 C +ATOM 215 O ASN I 172 -19.736 3.389 24.972 1.00 3.97 O +ATOM 216 CB ASN I 172 -21.711 2.156 26.888 1.00 4.21 C +ATOM 217 CG ASN I 172 -22.411 0.954 27.509 1.00 5.03 C +ATOM 218 OD1 ASN I 172 -23.193 1.101 28.450 1.00 6.41 O +ATOM 219 ND2 ASN I 172 -22.124 -0.242 26.993 1.00 5.41 N +ATOM 220 N SER I 173 -18.849 4.054 26.929 1.00 3.80 N +ATOM 221 CA SER I 173 -18.261 5.285 26.396 1.00 3.84 C +ATOM 222 C SER I 173 -16.739 5.223 26.274 1.00 3.74 C +ATOM 223 O SER I 173 -16.190 5.561 25.233 1.00 3.85 O +ATOM 224 CB SER I 173 -18.638 6.471 27.282 1.00 3.87 C +ATOM 225 OG SER I 173 -20.045 6.570 27.434 1.00 4.51 O +ATOM 226 N VAL I 174 -16.069 4.793 27.338 1.00 3.64 N +ATOM 227 CA VAL I 174 -14.606 4.833 27.414 1.00 3.62 C +ATOM 228 C VAL I 174 -13.953 3.459 27.256 1.00 3.57 C +ATOM 229 O VAL I 174 -13.026 3.296 26.465 1.00 3.41 O +ATOM 230 CB VAL I 174 -14.146 5.429 28.755 1.00 3.56 C +ATOM 231 CG1 VAL I 174 -12.628 5.403 28.852 1.00 3.86 C +ATOM 232 CG2 VAL I 174 -14.677 6.847 28.911 1.00 3.49 C +ATOM 233 N LEU I 175 -14.429 2.483 28.027 1.00 3.61 N +ATOM 234 CA LEU I 175 -13.881 1.124 27.999 1.00 3.68 C +ATOM 235 C LEU I 175 -14.710 0.238 27.069 1.00 3.73 C +ATOM 236 O LEU I 175 -15.143 -0.854 27.430 1.00 3.72 O +ATOM 237 CB LEU I 175 -13.818 0.548 29.416 1.00 3.60 C +ATOM 238 CG LEU I 175 -12.853 1.266 30.363 1.00 3.50 C +ATOM 239 CD1 LEU I 175 -12.930 0.678 31.765 1.00 3.61 C +ATOM 240 CD2 LEU I 175 -11.429 1.201 29.835 1.00 3.18 C +ATOM 241 N ARG I 176 -14.881 0.723 25.848 1.00 3.91 N +ATOM 242 CA ARG I 176 -15.833 0.172 24.887 1.00 4.11 C +ATOM 243 C ARG I 176 -15.414 -1.188 24.308 1.00 4.11 C +ATOM 244 O ARG I 176 -16.263 -1.954 23.857 1.00 4.11 O +ATOM 245 CB ARG I 176 -16.031 1.192 23.759 1.00 4.22 C +ATOM 246 CG ARG I 176 -17.202 0.906 22.849 1.00 4.81 C +ATOM 247 CD ARG I 176 -17.526 2.091 21.937 1.00 5.38 C +ATOM 248 NE ARG I 176 -16.345 2.663 21.274 1.00 5.73 N +ATOM 249 CZ ARG I 176 -15.746 3.813 21.602 1.00 5.69 C +ATOM 250 NH1 ARG I 176 -16.193 4.573 22.601 1.00 5.55 N +ATOM 251 NH2 ARG I 176 -14.680 4.213 20.915 1.00 5.60 N +ATOM 252 N GLU I 177 -14.116 -1.485 24.327 1.00 4.08 N +ATOM 253 CA GLU I 177 -13.603 -2.758 23.802 1.00 4.15 C +ATOM 254 C GLU I 177 -13.654 -3.918 24.818 1.00 3.95 C +ATOM 255 O GLU I 177 -13.180 -5.013 24.520 1.00 3.88 O +ATOM 256 CB GLU I 177 -12.174 -2.580 23.249 1.00 4.29 C +ATOM 257 CG GLU I 177 -11.093 -2.309 24.305 1.00 5.20 C +ATOM 258 CD GLU I 177 -9.811 -1.695 23.725 1.00 6.50 C +ATOM 259 OE1 GLU I 177 -9.073 -2.407 22.998 1.00 6.86 O +ATOM 260 OE2 GLU I 177 -9.536 -0.503 24.016 1.00 6.88 O +ATOM 261 N PHE I 178 -14.245 -3.687 25.993 1.00 3.71 N +ATOM 262 CA PHE I 178 -14.309 -4.705 27.052 1.00 3.58 C +ATOM 263 C PHE I 178 -15.737 -4.996 27.505 1.00 3.57 C +ATOM 264 O PHE I 178 -16.638 -4.162 27.371 1.00 3.48 O +ATOM 265 CB PHE I 178 -13.501 -4.260 28.273 1.00 3.48 C +ATOM 266 CG PHE I 178 -12.090 -3.846 27.955 1.00 3.48 C +ATOM 267 CD1 PHE I 178 -11.087 -4.796 27.818 1.00 3.26 C +ATOM 268 CD2 PHE I 178 -11.765 -2.504 27.806 1.00 3.09 C +ATOM 269 CE1 PHE I 178 -9.783 -4.416 27.525 1.00 3.46 C +ATOM 270 CE2 PHE I 178 -10.468 -2.117 27.524 1.00 3.50 C +ATOM 271 CZ PHE I 178 -9.474 -3.074 27.376 1.00 3.34 C +ATOM 272 N THR I 179 -15.929 -6.185 28.065 1.00 3.58 N +ATOM 273 CA THR I 179 -17.209 -6.563 28.649 1.00 3.47 C +ATOM 274 C THR I 179 -17.267 -6.114 30.103 1.00 3.64 C +ATOM 275 O THR I 179 -16.239 -5.791 30.707 1.00 3.71 O +ATOM 276 CB THR I 179 -17.428 -8.078 28.607 1.00 3.43 C +ATOM 277 OG1 THR I 179 -16.456 -8.726 29.435 1.00 3.04 O +ATOM 278 CG2 THR I 179 -17.324 -8.600 27.184 1.00 3.12 C +ATOM 279 N LEU I 180 -18.474 -6.107 30.659 1.00 3.66 N +ATOM 280 CA LEU I 180 -18.688 -5.717 32.049 1.00 3.75 C +ATOM 281 C LEU I 180 -17.959 -6.660 33.004 1.00 3.83 C +ATOM 282 O LEU I 180 -17.321 -6.210 33.959 1.00 3.70 O +ATOM 283 CB LEU I 180 -20.186 -5.696 32.373 1.00 3.71 C +ATOM 284 CG LEU I 180 -20.598 -5.228 33.774 1.00 4.01 C +ATOM 285 CD1 LEU I 180 -19.993 -3.874 34.103 1.00 4.19 C +ATOM 286 CD2 LEU I 180 -22.124 -5.185 33.910 1.00 3.14 C +ATOM 287 N GLN I 181 -18.046 -7.963 32.740 1.00 3.97 N +ATOM 288 CA GLN I 181 -17.409 -8.963 33.602 1.00 4.03 C +ATOM 289 C GLN I 181 -15.896 -8.807 33.623 1.00 3.73 C +ATOM 290 O GLN I 181 -15.267 -9.022 34.655 1.00 3.83 O +ATOM 291 CB GLN I 181 -17.780 -10.392 33.183 1.00 4.21 C +ATOM 292 CG GLN I 181 -17.120 -11.495 34.046 1.00 4.84 C +ATOM 293 CD GLN I 181 -17.338 -11.289 35.553 1.00 5.67 C +ATOM 294 OE1 GLN I 181 -18.480 -11.219 36.029 1.00 6.19 O +ATOM 295 NE2 GLN I 181 -16.241 -11.180 36.302 1.00 5.31 N +ATOM 296 N GLN I 182 -15.316 -8.439 32.485 1.00 3.51 N +ATOM 297 CA GLN I 182 -13.887 -8.149 32.418 1.00 3.34 C +ATOM 298 C GLN I 182 -13.542 -6.954 33.303 1.00 3.25 C +ATOM 299 O GLN I 182 -12.558 -6.989 34.051 1.00 3.18 O +ATOM 300 CB GLN I 182 -13.442 -7.895 30.971 1.00 3.35 C +ATOM 301 CG GLN I 182 -13.317 -9.170 30.149 1.00 3.01 C +ATOM 302 CD GLN I 182 -13.101 -8.915 28.668 1.00 2.72 C +ATOM 303 OE1 GLN I 182 -13.618 -7.951 28.099 1.00 2.32 O +ATOM 304 NE2 GLN I 182 -12.340 -9.793 28.033 1.00 3.03 N +ATOM 305 N ILE I 183 -14.359 -5.907 33.211 1.00 3.05 N +ATOM 306 CA ILE I 183 -14.196 -4.708 34.036 1.00 3.02 C +ATOM 307 C ILE I 183 -14.311 -5.019 35.529 1.00 3.06 C +ATOM 308 O ILE I 183 -13.535 -4.495 36.322 1.00 3.09 O +ATOM 309 CB ILE I 183 -15.202 -3.591 33.625 1.00 3.10 C +ATOM 310 CG1 ILE I 183 -14.577 -2.680 32.574 1.00 3.47 C +ATOM 311 CG2 ILE I 183 -15.607 -2.735 34.811 1.00 2.70 C +ATOM 312 CD1 ILE I 183 -14.041 -3.401 31.376 1.00 3.75 C +ATOM 313 N ASN I 184 -15.264 -5.872 35.904 1.00 3.09 N +ATOM 314 CA ASN I 184 -15.433 -6.266 37.308 1.00 3.20 C +ATOM 315 C ASN I 184 -14.220 -7.039 37.827 1.00 3.24 C +ATOM 316 O ASN I 184 -13.846 -6.904 38.993 1.00 3.32 O +ATOM 317 CB ASN I 184 -16.691 -7.124 37.512 1.00 3.15 C +ATOM 318 CG ASN I 184 -17.989 -6.373 37.215 1.00 3.27 C +ATOM 319 OD1 ASN I 184 -18.112 -5.173 37.468 1.00 3.49 O +ATOM 320 ND2 ASN I 184 -18.970 -7.094 36.683 1.00 2.76 N +ATOM 321 N THR I 185 -13.626 -7.854 36.958 1.00 3.14 N +ATOM 322 CA THR I 185 -12.456 -8.653 37.302 1.00 3.07 C +ATOM 323 C THR I 185 -11.219 -7.770 37.498 1.00 3.13 C +ATOM 324 O THR I 185 -10.483 -7.940 38.466 1.00 2.89 O +ATOM 325 CB THR I 185 -12.163 -9.706 36.209 1.00 3.12 C +ATOM 326 OG1 THR I 185 -13.330 -10.508 35.982 1.00 2.83 O +ATOM 327 CG2 THR I 185 -11.007 -10.602 36.616 1.00 2.85 C +ATOM 328 N VAL I 186 -11.000 -6.833 36.576 1.00 3.10 N +ATOM 329 CA VAL I 186 -9.901 -5.866 36.696 1.00 3.05 C +ATOM 330 C VAL I 186 -10.076 -4.992 37.949 1.00 2.98 C +ATOM 331 O VAL I 186 -9.103 -4.696 38.645 1.00 2.52 O +ATOM 332 CB VAL I 186 -9.782 -4.973 35.437 1.00 3.08 C +ATOM 333 CG1 VAL I 186 -8.657 -3.947 35.598 1.00 3.12 C +ATOM 334 CG2 VAL I 186 -9.536 -5.830 34.197 1.00 3.34 C +ATOM 335 N CYS I 187 -11.319 -4.608 38.244 1.00 2.93 N +ATOM 336 CA CYS I 187 -11.621 -3.866 39.473 1.00 2.91 C +ATOM 337 C CYS I 187 -11.205 -4.647 40.719 1.00 3.06 C +ATOM 338 O CYS I 187 -10.684 -4.067 41.672 1.00 3.16 O +ATOM 339 CB CYS I 187 -13.106 -3.502 39.555 1.00 2.90 C +ATOM 340 SG CYS I 187 -13.571 -2.030 38.613 1.00 2.08 S +ATOM 341 N ASP I 188 -11.424 -5.957 40.697 1.00 3.07 N +ATOM 342 CA ASP I 188 -11.001 -6.839 41.788 1.00 3.24 C +ATOM 343 C ASP I 188 -9.463 -6.855 41.923 1.00 3.18 C +ATOM 344 O ASP I 188 -8.922 -6.750 43.022 1.00 3.21 O +ATOM 345 CB ASP I 188 -11.540 -8.250 41.534 1.00 3.32 C +ATOM 346 CG ASP I 188 -11.406 -9.170 42.732 1.00 3.87 C +ATOM 347 OD1 ASP I 188 -11.721 -10.364 42.569 1.00 4.89 O +ATOM 348 OD2 ASP I 188 -11.002 -8.728 43.827 1.00 4.27 O +ATOM 349 N GLU I 189 -8.774 -6.971 40.794 1.00 2.99 N +ATOM 350 CA GLU I 189 -7.310 -6.945 40.760 1.00 2.90 C +ATOM 351 C GLU I 189 -6.743 -5.622 41.288 1.00 2.81 C +ATOM 352 O GLU I 189 -5.704 -5.603 41.944 1.00 2.70 O +ATOM 353 CB GLU I 189 -6.816 -7.168 39.326 1.00 2.82 C +ATOM 354 CG GLU I 189 -7.139 -8.541 38.752 1.00 2.57 C +ATOM 355 CD GLU I 189 -7.051 -8.593 37.235 1.00 2.37 C +ATOM 356 OE1 GLU I 189 -6.446 -7.686 36.629 1.00 2.66 O +ATOM 357 OE2 GLU I 189 -7.589 -9.554 36.646 1.00 2.16 O +ATOM 358 N LEU I 190 -7.436 -4.524 40.990 1.00 2.76 N +ATOM 359 CA LEU I 190 -7.023 -3.183 41.405 1.00 2.52 C +ATOM 360 C LEU I 190 -7.520 -2.794 42.810 1.00 2.34 C +ATOM 361 O LEU I 190 -7.348 -1.656 43.229 1.00 2.22 O +ATOM 362 CB LEU I 190 -7.520 -2.155 40.381 1.00 2.39 C +ATOM 363 CG LEU I 190 -7.004 -2.266 38.943 1.00 2.30 C +ATOM 364 CD1 LEU I 190 -7.877 -1.427 38.018 1.00 2.00 C +ATOM 365 CD2 LEU I 190 -5.513 -1.871 38.816 1.00 2.00 C +ATOM 366 N TYR I 191 -8.126 -3.733 43.532 1.00 2.38 N +ATOM 367 CA TYR I 191 -8.713 -3.469 44.858 1.00 2.43 C +ATOM 368 C TYR I 191 -9.728 -2.308 44.823 1.00 2.43 C +ATOM 369 O TYR I 191 -9.772 -1.466 45.718 1.00 2.28 O +ATOM 370 CB TYR I 191 -7.608 -3.233 45.909 1.00 2.39 C +ATOM 371 CG TYR I 191 -8.062 -3.420 47.354 1.00 2.00 C +ATOM 372 CD1 TYR I 191 -8.294 -2.324 48.182 1.00 2.00 C +ATOM 373 CD2 TYR I 191 -8.259 -4.690 47.887 1.00 2.00 C +ATOM 374 CE1 TYR I 191 -8.710 -2.485 49.499 1.00 2.00 C +ATOM 375 CE2 TYR I 191 -8.672 -4.861 49.206 1.00 2.00 C +ATOM 376 CZ TYR I 191 -8.900 -3.754 50.005 1.00 2.00 C +ATOM 377 OH TYR I 191 -9.309 -3.908 51.306 1.00 2.00 O +ATOM 378 N ILE I 192 -10.548 -2.286 43.780 1.00 2.62 N +ATOM 379 CA ILE I 192 -11.515 -1.215 43.567 1.00 2.99 C +ATOM 380 C ILE I 192 -12.895 -1.673 44.051 1.00 3.19 C +ATOM 381 O ILE I 192 -13.362 -2.734 43.649 1.00 3.22 O +ATOM 382 CB ILE I 192 -11.572 -0.821 42.075 1.00 3.00 C +ATOM 383 CG1 ILE I 192 -10.243 -0.193 41.643 1.00 3.30 C +ATOM 384 CG2 ILE I 192 -12.705 0.147 41.806 1.00 3.04 C +ATOM 385 CD1 ILE I 192 -10.141 0.092 40.144 1.00 2.74 C +ATOM 386 N TYR I 193 -13.519 -0.886 44.932 1.00 3.48 N +ATOM 387 CA TYR I 193 -14.869 -1.179 45.454 1.00 3.76 C +ATOM 388 C TYR I 193 -15.925 -0.276 44.821 1.00 3.90 C +ATOM 389 O TYR I 193 -15.936 0.935 45.049 1.00 3.96 O +ATOM 390 CB TYR I 193 -14.915 -1.019 46.978 1.00 3.82 C +ATOM 391 CG TYR I 193 -16.318 -0.881 47.561 1.00 3.91 C +ATOM 392 CD1 TYR I 193 -16.824 0.369 47.921 1.00 4.06 C +ATOM 393 CD2 TYR I 193 -17.134 -1.998 47.758 1.00 3.97 C +ATOM 394 CE1 TYR I 193 -18.106 0.507 48.454 1.00 3.97 C +ATOM 395 CE2 TYR I 193 -18.418 -1.871 48.294 1.00 3.47 C +ATOM 396 CZ TYR I 193 -18.903 -0.614 48.640 1.00 3.95 C +ATOM 397 OH TYR I 193 -20.181 -0.465 49.178 1.00 3.97 O +ATOM 398 N CYS I 194 -16.816 -0.872 44.037 1.00 4.05 N +ATOM 399 CA CYS I 194 -17.907 -0.134 43.416 1.00 4.31 C +ATOM 400 C CYS I 194 -19.176 -0.275 44.268 1.00 4.29 C +ATOM 401 O CYS I 194 -19.653 -1.385 44.492 1.00 4.42 O +ATOM 402 CB CYS I 194 -18.143 -0.638 41.991 1.00 4.14 C +ATOM 403 SG CYS I 194 -16.715 -0.416 40.894 1.00 5.94 S +ATOM 404 N SER I 195 -19.708 0.845 44.755 1.00 4.33 N +ATOM 405 CA SER I 195 -20.915 0.816 45.582 1.00 4.61 C +ATOM 406 C SER I 195 -22.152 0.731 44.698 1.00 4.74 C +ATOM 407 O SER I 195 -22.174 1.283 43.603 1.00 5.22 O +ATOM 408 CB SER I 195 -21.000 2.053 46.482 1.00 4.62 C +ATOM 409 OG SER I 195 -21.062 3.244 45.718 1.00 5.17 O +ATOM 410 N ARG I 196 -23.182 0.047 45.177 1.00 4.85 N +ATOM 411 CA ARG I 196 -24.403 -0.129 44.399 1.00 4.86 C +ATOM 412 C ARG I 196 -25.217 1.156 44.447 1.00 4.80 C +ATOM 413 O ARG I 196 -25.264 1.826 45.474 1.00 4.95 O +ATOM 414 CB ARG I 196 -25.227 -1.308 44.933 1.00 4.95 C +ATOM 415 CG ARG I 196 -25.591 -2.334 43.866 1.00 5.76 C +ATOM 416 CD ARG I 196 -24.369 -3.175 43.467 1.00 7.05 C +ATOM 417 NE ARG I 196 -24.688 -4.141 42.410 1.00 8.23 N +ATOM 418 CZ ARG I 196 -24.344 -4.031 41.123 1.00 8.91 C +ATOM 419 NH1 ARG I 196 -23.643 -2.991 40.675 1.00 9.13 N +ATOM 420 NH2 ARG I 196 -24.704 -4.984 40.267 1.00 9.31 N +ATOM 421 N CYS I 197 -25.853 1.503 43.335 1.00 4.70 N +ATOM 422 CA CYS I 197 -26.661 2.710 43.271 1.00 4.77 C +ATOM 423 C CYS I 197 -27.980 2.462 44.006 1.00 4.50 C +ATOM 424 O CYS I 197 -28.521 1.356 43.956 1.00 4.59 O +ATOM 425 CB CYS I 197 -26.925 3.092 41.814 1.00 4.77 C +ATOM 426 SG CYS I 197 -28.247 2.114 41.036 1.00 6.76 S +ATOM 427 N THR I 198 -28.491 3.482 44.690 1.00 4.27 N +ATOM 428 CA THR I 198 -29.750 3.357 45.434 1.00 4.17 C +ATOM 429 C THR I 198 -30.948 3.344 44.497 1.00 4.07 C +ATOM 430 O THR I 198 -30.860 3.796 43.359 1.00 4.18 O +ATOM 431 CB THR I 198 -29.952 4.505 46.445 1.00 4.15 C +ATOM 432 OG1 THR I 198 -30.080 5.751 45.748 1.00 4.04 O +ATOM 433 CG2 THR I 198 -28.787 4.572 47.423 1.00 4.02 C +ATOM 434 N SER I 199 -32.069 2.833 44.993 1.00 4.07 N +ATOM 435 CA SER I 199 -33.313 2.764 44.217 1.00 4.10 C +ATOM 436 C SER I 199 -33.686 4.115 43.589 1.00 4.09 C +ATOM 437 O SER I 199 -34.180 4.169 42.459 1.00 3.97 O +ATOM 438 CB SER I 199 -34.455 2.274 45.104 1.00 4.04 C +ATOM 439 OG SER I 199 -35.614 2.032 44.332 1.00 4.43 O +ATOM 440 N ASP I 200 -33.443 5.193 44.333 1.00 4.13 N +ATOM 441 CA ASP I 200 -33.616 6.558 43.828 1.00 4.13 C +ATOM 442 C ASP I 200 -32.577 6.938 42.773 1.00 4.05 C +ATOM 443 O ASP I 200 -32.909 7.528 41.750 1.00 4.32 O +ATOM 444 CB ASP I 200 -33.553 7.566 44.978 1.00 4.18 C +ATOM 445 CG ASP I 200 -34.822 7.590 45.800 1.00 4.20 C +ATOM 446 OD1 ASP I 200 -34.738 7.933 47.000 1.00 4.35 O +ATOM 447 OD2 ASP I 200 -35.900 7.274 45.248 1.00 4.43 O +ATOM 448 N GLN I 201 -31.319 6.617 43.020 1.00 3.86 N +ATOM 449 CA GLN I 201 -30.280 6.918 42.038 1.00 3.87 C +ATOM 450 C GLN I 201 -30.534 6.206 40.703 1.00 3.68 C +ATOM 451 O GLN I 201 -30.277 6.769 39.637 1.00 3.72 O +ATOM 452 CB GLN I 201 -28.906 6.554 42.584 1.00 3.80 C +ATOM 453 CG GLN I 201 -28.413 7.513 43.647 1.00 4.05 C +ATOM 454 CD GLN I 201 -27.257 6.941 44.428 1.00 4.67 C +ATOM 455 OE1 GLN I 201 -27.396 5.905 45.075 1.00 5.28 O +ATOM 456 NE2 GLN I 201 -26.103 7.602 44.364 1.00 4.65 N +ATOM 457 N LEU I 202 -31.051 4.981 40.775 1.00 3.35 N +ATOM 458 CA LEU I 202 -31.320 4.177 39.583 1.00 3.04 C +ATOM 459 C LEU I 202 -32.412 4.803 38.737 1.00 2.98 C +ATOM 460 O LEU I 202 -32.349 4.778 37.512 1.00 2.60 O +ATOM 461 CB LEU I 202 -31.727 2.754 39.970 1.00 2.92 C +ATOM 462 CG LEU I 202 -31.727 1.732 38.833 1.00 2.60 C +ATOM 463 CD1 LEU I 202 -30.296 1.455 38.363 1.00 2.71 C +ATOM 464 CD2 LEU I 202 -32.406 0.443 39.258 1.00 2.00 C +ATOM 465 N HIS I 203 -33.421 5.357 39.406 1.00 3.28 N +ATOM 466 CA HIS I 203 -34.550 5.990 38.732 1.00 3.27 C +ATOM 467 C HIS I 203 -34.118 7.200 37.908 1.00 3.30 C +ATOM 468 O HIS I 203 -34.548 7.361 36.768 1.00 3.31 O +ATOM 469 CB HIS I 203 -35.605 6.414 39.750 1.00 3.39 C +ATOM 470 CG HIS I 203 -36.788 7.091 39.133 1.00 3.36 C +ATOM 471 ND1 HIS I 203 -37.571 6.483 38.176 1.00 3.36 N +ATOM 472 CD2 HIS I 203 -37.307 8.326 39.320 1.00 3.25 C +ATOM 473 CE1 HIS I 203 -38.528 7.314 37.804 1.00 3.90 C +ATOM 474 NE2 HIS I 203 -38.391 8.439 38.484 1.00 3.97 N +ATOM 475 N ILE I 204 -33.265 8.036 38.493 1.00 3.33 N +ATOM 476 CA ILE I 204 -32.738 9.222 37.817 1.00 3.36 C +ATOM 477 C ILE I 204 -32.026 8.828 36.522 1.00 3.42 C +ATOM 478 O ILE I 204 -32.277 9.412 35.466 1.00 3.56 O +ATOM 479 CB ILE I 204 -31.747 10.010 38.719 1.00 3.34 C +ATOM 480 CG1 ILE I 204 -32.434 10.519 39.994 1.00 3.46 C +ATOM 481 CG2 ILE I 204 -31.154 11.190 37.964 1.00 3.19 C +ATOM 482 CD1 ILE I 204 -33.585 11.473 39.742 1.00 3.28 C +ATOM 483 N LEU I 205 -31.148 7.830 36.611 1.00 3.33 N +ATOM 484 CA LEU I 205 -30.420 7.326 35.444 1.00 3.26 C +ATOM 485 C LEU I 205 -31.351 6.770 34.372 1.00 3.25 C +ATOM 486 O LEU I 205 -31.099 6.938 33.184 1.00 3.29 O +ATOM 487 CB LEU I 205 -29.404 6.255 35.860 1.00 3.18 C +ATOM 488 CG LEU I 205 -28.249 6.770 36.721 1.00 2.90 C +ATOM 489 CD1 LEU I 205 -27.397 5.621 37.237 1.00 2.88 C +ATOM 490 CD2 LEU I 205 -27.409 7.761 35.932 1.00 2.57 C +ATOM 491 N LYS I 206 -32.422 6.107 34.796 1.00 3.33 N +ATOM 492 CA LYS I 206 -33.414 5.571 33.863 1.00 3.39 C +ATOM 493 C LYS I 206 -34.168 6.690 33.133 1.00 3.37 C +ATOM 494 O LYS I 206 -34.361 6.628 31.915 1.00 3.26 O +ATOM 495 CB LYS I 206 -34.402 4.657 34.596 1.00 3.42 C +ATOM 496 CG LYS I 206 -33.837 3.292 34.972 1.00 3.45 C +ATOM 497 CD LYS I 206 -34.885 2.447 35.688 1.00 3.49 C +ATOM 498 CE LYS I 206 -34.332 1.105 36.147 1.00 3.70 C +ATOM 499 NZ LYS I 206 -33.726 0.305 35.049 1.00 3.57 N +ATOM 500 N VAL I 207 -34.574 7.711 33.887 1.00 3.35 N +ATOM 501 CA VAL I 207 -35.327 8.852 33.349 1.00 3.34 C +ATOM 502 C VAL I 207 -34.501 9.683 32.366 1.00 3.42 C +ATOM 503 O VAL I 207 -35.033 10.186 31.377 1.00 3.42 O +ATOM 504 CB VAL I 207 -35.819 9.779 34.483 1.00 3.30 C +ATOM 505 CG1 VAL I 207 -36.499 11.012 33.913 1.00 3.33 C +ATOM 506 CG2 VAL I 207 -36.759 9.029 35.418 1.00 3.02 C +ATOM 507 N LEU I 208 -33.204 9.819 32.645 1.00 3.45 N +ATOM 508 CA LEU I 208 -32.283 10.575 31.784 1.00 3.39 C +ATOM 509 C LEU I 208 -31.764 9.759 30.595 1.00 3.35 C +ATOM 510 O LEU I 208 -31.040 10.284 29.745 1.00 3.13 O +ATOM 511 CB LEU I 208 -31.102 11.102 32.606 1.00 3.38 C +ATOM 512 CG LEU I 208 -31.428 12.313 33.481 1.00 3.31 C +ATOM 513 CD1 LEU I 208 -30.387 12.498 34.573 1.00 3.14 C +ATOM 514 CD2 LEU I 208 -31.547 13.566 32.624 1.00 3.17 C +ATOM 515 N GLY I 209 -32.126 8.478 30.547 1.00 3.42 N +ATOM 516 CA GLY I 209 -31.776 7.605 29.429 1.00 3.46 C +ATOM 517 C GLY I 209 -30.398 6.979 29.515 1.00 3.54 C +ATOM 518 O GLY I 209 -30.015 6.222 28.623 1.00 3.63 O +ATOM 519 N ILE I 210 -29.656 7.284 30.583 1.00 3.57 N +ATOM 520 CA ILE I 210 -28.284 6.802 30.750 1.00 3.50 C +ATOM 521 C ILE I 210 -28.288 5.280 30.869 1.00 3.54 C +ATOM 522 O ILE I 210 -27.453 4.599 30.277 1.00 3.41 O +ATOM 523 CB ILE I 210 -27.604 7.410 31.998 1.00 3.54 C +ATOM 524 CG1 ILE I 210 -27.557 8.941 31.913 1.00 3.50 C +ATOM 525 CG2 ILE I 210 -26.196 6.851 32.172 1.00 3.15 C +ATOM 526 CD1 ILE I 210 -26.825 9.473 30.715 1.00 3.65 C +ATOM 527 N LEU I 211 -29.236 4.761 31.644 1.00 3.55 N +ATOM 528 CA LEU I 211 -29.510 3.330 31.680 1.00 3.59 C +ATOM 529 C LEU I 211 -30.877 3.071 31.062 1.00 3.61 C +ATOM 530 O LEU I 211 -31.751 3.933 31.108 1.00 3.61 O +ATOM 531 CB LEU I 211 -29.486 2.805 33.118 1.00 3.56 C +ATOM 532 CG LEU I 211 -28.145 2.914 33.848 1.00 3.58 C +ATOM 533 CD1 LEU I 211 -28.243 2.278 35.223 1.00 3.37 C +ATOM 534 CD2 LEU I 211 -27.014 2.276 33.040 1.00 3.08 C +ATOM 535 N PRO I 212 -31.067 1.883 30.469 1.00 3.71 N +ATOM 536 CA PRO I 212 -32.407 1.526 30.013 1.00 3.78 C +ATOM 537 C PRO I 212 -33.329 1.253 31.194 1.00 3.86 C +ATOM 538 O PRO I 212 -32.851 1.008 32.303 1.00 3.98 O +ATOM 539 CB PRO I 212 -32.179 0.249 29.204 1.00 3.81 C +ATOM 540 CG PRO I 212 -30.905 -0.318 29.725 1.00 3.82 C +ATOM 541 CD PRO I 212 -30.072 0.840 30.158 1.00 3.69 C +ATOM 542 N PHE I 213 -34.637 1.288 30.953 1.00 3.84 N +ATOM 543 CA PHE I 213 -35.623 1.014 32.002 1.00 3.97 C +ATOM 544 C PHE I 213 -35.474 -0.403 32.556 1.00 4.00 C +ATOM 545 O PHE I 213 -35.965 -0.704 33.648 1.00 4.22 O +ATOM 546 CB PHE I 213 -37.053 1.184 31.466 1.00 3.98 C +ATOM 547 CG PHE I 213 -37.579 -0.031 30.746 1.00 4.13 C +ATOM 548 CD1 PHE I 213 -37.079 -0.389 29.498 1.00 4.49 C +ATOM 549 CD2 PHE I 213 -38.559 -0.831 31.325 1.00 4.33 C +ATOM 550 CE1 PHE I 213 -37.559 -1.516 28.831 1.00 4.64 C +ATOM 551 CE2 PHE I 213 -39.043 -1.960 30.665 1.00 4.28 C +ATOM 552 CZ PHE I 213 -38.545 -2.301 29.416 1.00 4.33 C +ATOM 553 N ASN I 214 -34.815 -1.260 31.780 1.00 3.93 N +ATOM 554 CA AASN I 214 -34.647 -2.670 32.114 0.50 3.92 C +ATOM 555 CA BASN I 214 -34.661 -2.670 32.136 0.50 3.93 C +ATOM 556 C ASN I 214 -33.566 -2.912 33.176 1.00 3.91 C +ATOM 557 O ASN I 214 -33.606 -3.909 33.896 1.00 3.85 O +ATOM 558 CB AASN I 214 -34.309 -3.455 30.839 0.50 3.93 C +ATOM 559 CB BASN I 214 -34.431 -3.537 30.882 0.50 3.95 C +ATOM 560 CG AASN I 214 -34.940 -4.824 30.816 0.50 3.95 C +ATOM 561 CG BASN I 214 -33.125 -3.227 30.164 0.50 3.98 C +ATOM 562 OD1AASN I 214 -34.416 -5.752 30.202 0.50 4.26 O +ATOM 563 OD1BASN I 214 -32.038 -3.336 30.733 0.50 4.40 O +ATOM 564 ND2AASN I 214 -36.078 -4.959 31.485 0.50 3.82 N +ATOM 565 ND2BASN I 214 -33.233 -2.872 28.889 0.50 3.97 N +ATOM 566 N ALA I 215 -32.602 -1.991 33.254 1.00 3.98 N +ATOM 567 CA ALA I 215 -31.435 -2.089 34.149 1.00 3.86 C +ATOM 568 C ALA I 215 -31.729 -2.744 35.507 1.00 4.03 C +ATOM 569 O ALA I 215 -32.620 -2.290 36.235 1.00 3.73 O +ATOM 570 CB ALA I 215 -30.837 -0.708 34.365 1.00 3.75 C +ATOM 571 N PRO I 216 -30.966 -3.803 35.858 1.00 4.27 N +ATOM 572 CA PRO I 216 -31.179 -4.515 37.123 1.00 4.43 C +ATOM 573 C PRO I 216 -30.709 -3.702 38.332 1.00 4.60 C +ATOM 574 O PRO I 216 -31.371 -3.689 39.370 1.00 5.04 O +ATOM 575 CB PRO I 216 -30.319 -5.773 36.965 1.00 4.52 C +ATOM 576 CG PRO I 216 -29.197 -5.367 36.046 1.00 4.39 C +ATOM 577 CD PRO I 216 -29.752 -4.274 35.155 1.00 4.36 C +ATOM 578 N SER I 217 -29.565 -3.047 38.181 1.00 4.59 N +ATOM 579 CA SER I 217 -29.025 -2.126 39.166 1.00 4.71 C +ATOM 580 C SER I 217 -27.809 -1.494 38.505 1.00 4.72 C +ATOM 581 O SER I 217 -27.691 -1.523 37.274 1.00 4.98 O +ATOM 582 CB SER I 217 -28.625 -2.834 40.463 1.00 4.85 C +ATOM 583 OG SER I 217 -28.231 -1.889 41.447 1.00 5.15 O +ATOM 584 N CYS I 218 -26.899 -0.941 39.296 1.00 4.52 N +ATOM 585 CA CYS I 218 -25.803 -0.176 38.721 1.00 4.73 C +ATOM 586 C CYS I 218 -24.682 0.069 39.735 1.00 4.39 C +ATOM 587 O CYS I 218 -24.932 0.505 40.860 1.00 4.50 O +ATOM 588 CB CYS I 218 -26.364 1.143 38.168 1.00 4.74 C +ATOM 589 SG CYS I 218 -25.166 2.429 37.840 1.00 6.52 S +ATOM 590 N GLY I 219 -23.453 -0.238 39.337 1.00 4.05 N +ATOM 591 CA GLY I 219 -22.288 0.017 40.177 1.00 3.89 C +ATOM 592 C GLY I 219 -21.842 1.459 40.036 1.00 3.78 C +ATOM 593 O GLY I 219 -21.998 2.058 38.969 1.00 3.74 O +ATOM 594 N LEU I 220 -21.293 2.016 41.112 1.00 3.65 N +ATOM 595 CA LEU I 220 -20.803 3.393 41.105 1.00 3.71 C +ATOM 596 C LEU I 220 -19.333 3.417 41.514 1.00 4.08 C +ATOM 597 O LEU I 220 -18.986 2.992 42.612 1.00 4.34 O +ATOM 598 CB LEU I 220 -21.627 4.268 42.044 1.00 3.70 C +ATOM 599 CG LEU I 220 -23.137 4.379 41.774 1.00 3.21 C +ATOM 600 CD1 LEU I 220 -23.810 5.117 42.911 1.00 2.48 C +ATOM 601 CD2 LEU I 220 -23.420 5.071 40.448 1.00 2.48 C +ATOM 602 N ILE I 221 -18.481 3.920 40.621 1.00 4.20 N +ATOM 603 CA ILE I 221 -17.029 3.911 40.806 1.00 4.26 C +ATOM 604 C ILE I 221 -16.512 5.344 40.974 1.00 4.42 C +ATOM 605 O ILE I 221 -16.964 6.257 40.278 1.00 4.61 O +ATOM 606 CB ILE I 221 -16.339 3.215 39.601 1.00 4.26 C +ATOM 607 CG1 ILE I 221 -14.834 3.057 39.840 1.00 4.05 C +ATOM 608 CG2 ILE I 221 -16.632 3.960 38.296 1.00 3.86 C +ATOM 609 CD1 ILE I 221 -14.140 2.207 38.775 1.00 3.54 C +ATOM 610 N THR I 222 -15.577 5.549 41.900 1.00 4.47 N +ATOM 611 CA THR I 222 -15.032 6.893 42.139 1.00 4.49 C +ATOM 612 C THR I 222 -14.156 7.306 40.959 1.00 4.53 C +ATOM 613 O THR I 222 -13.671 6.455 40.214 1.00 4.56 O +ATOM 614 CB THR I 222 -14.178 6.992 43.433 1.00 4.56 C +ATOM 615 OG1 THR I 222 -12.925 6.321 43.243 1.00 4.31 O +ATOM 616 CG2 THR I 222 -14.916 6.408 44.636 1.00 4.47 C +ATOM 617 N LEU I 223 -13.959 8.612 40.800 1.00 4.41 N +ATOM 618 CA LEU I 223 -13.208 9.138 39.672 1.00 4.31 C +ATOM 619 C LEU I 223 -11.794 8.573 39.707 1.00 4.40 C +ATOM 620 O LEU I 223 -11.322 8.011 38.717 1.00 4.22 O +ATOM 621 CB LEU I 223 -13.189 10.675 39.683 1.00 4.30 C +ATOM 622 CG LEU I 223 -12.339 11.367 38.603 1.00 4.23 C +ATOM 623 CD1 LEU I 223 -12.674 10.851 37.200 1.00 4.02 C +ATOM 624 CD2 LEU I 223 -12.495 12.877 38.675 1.00 3.61 C +ATOM 625 N THR I 224 -11.143 8.695 40.864 1.00 4.40 N +ATOM 626 CA THR I 224 -9.782 8.192 41.036 1.00 4.35 C +ATOM 627 C THR I 224 -9.689 6.701 40.693 1.00 4.29 C +ATOM 628 O THR I 224 -8.796 6.295 39.944 1.00 4.41 O +ATOM 629 CB THR I 224 -9.220 8.483 42.461 1.00 4.46 C +ATOM 630 OG1 THR I 224 -7.855 8.049 42.541 1.00 4.79 O +ATOM 631 CG2 THR I 224 -10.027 7.785 43.540 1.00 4.61 C +ATOM 632 N ASP I 225 -10.614 5.893 41.208 1.00 4.28 N +ATOM 633 CA ASP I 225 -10.654 4.464 40.863 1.00 4.39 C +ATOM 634 C ASP I 225 -10.936 4.253 39.371 1.00 4.37 C +ATOM 635 O ASP I 225 -10.362 3.356 38.747 1.00 4.49 O +ATOM 636 CB ASP I 225 -11.691 3.704 41.702 1.00 4.43 C +ATOM 637 CG ASP I 225 -11.236 3.458 43.144 1.00 5.04 C +ATOM 638 OD1 ASP I 225 -10.029 3.564 43.438 1.00 7.07 O +ATOM 639 OD2 ASP I 225 -12.095 3.144 43.996 1.00 6.46 O +ATOM 640 N ALA I 226 -11.802 5.090 38.803 1.00 4.34 N +ATOM 641 CA ALA I 226 -12.113 5.029 37.372 1.00 4.24 C +ATOM 642 C ALA I 226 -10.881 5.321 36.521 1.00 4.22 C +ATOM 643 O ALA I 226 -10.653 4.657 35.508 1.00 4.63 O +ATOM 644 CB ALA I 226 -13.237 5.996 37.029 1.00 4.18 C +ATOM 645 N GLN I 227 -10.092 6.312 36.934 1.00 4.17 N +ATOM 646 CA AGLN I 227 -8.872 6.661 36.207 0.50 4.15 C +ATOM 647 CA BGLN I 227 -8.857 6.676 36.236 0.50 4.14 C +ATOM 648 C GLN I 227 -7.848 5.531 36.293 1.00 4.20 C +ATOM 649 O GLN I 227 -7.117 5.280 35.335 1.00 4.32 O +ATOM 650 CB AGLN I 227 -8.271 7.971 36.722 0.50 4.11 C +ATOM 651 CB BGLN I 227 -8.248 7.941 36.852 0.50 4.09 C +ATOM 652 CG AGLN I 227 -7.095 8.475 35.885 0.50 4.05 C +ATOM 653 CG BGLN I 227 -9.060 9.209 36.614 0.50 3.97 C +ATOM 654 CD AGLN I 227 -7.384 8.465 34.390 0.50 4.06 C +ATOM 655 CD BGLN I 227 -8.639 10.357 37.518 0.50 4.00 C +ATOM 656 OE1AGLN I 227 -8.496 8.760 33.959 0.50 4.06 O +ATOM 657 OE1BGLN I 227 -7.945 10.157 38.516 0.50 3.92 O +ATOM 658 NE2AGLN I 227 -6.377 8.129 33.594 0.50 4.14 N +ATOM 659 NE2BGLN I 227 -9.061 11.567 37.172 0.50 3.96 N +ATOM 660 N ARG I 228 -7.811 4.842 37.432 1.00 4.28 N +ATOM 661 CA AARG I 228 -6.902 3.710 37.632 0.50 4.21 C +ATOM 662 CA BARG I 228 -6.892 3.717 37.615 0.50 4.25 C +ATOM 663 C ARG I 228 -7.315 2.545 36.737 1.00 4.31 C +ATOM 664 O ARG I 228 -6.473 1.928 36.077 1.00 4.25 O +ATOM 665 CB AARG I 228 -6.917 3.270 39.097 0.50 4.12 C +ATOM 666 CB BARG I 228 -6.817 3.302 39.088 0.50 4.19 C +ATOM 667 CG AARG I 228 -5.737 2.417 39.511 0.50 4.02 C +ATOM 668 CG BARG I 228 -6.080 4.316 39.947 0.50 4.26 C +ATOM 669 CD AARG I 228 -5.973 1.826 40.876 0.50 3.67 C +ATOM 670 CD BARG I 228 -5.951 3.877 41.387 0.50 4.26 C +ATOM 671 NE AARG I 228 -4.741 1.653 41.634 0.50 4.23 N +ATOM 672 NE BARG I 228 -5.435 2.518 41.506 0.50 4.27 N +ATOM 673 CZ AARG I 228 -3.562 2.146 41.274 0.50 4.18 C +ATOM 674 CZ BARG I 228 -6.138 1.493 41.979 0.50 4.88 C +ATOM 675 NH1AARG I 228 -3.454 2.852 40.156 0.50 4.25 N +ATOM 676 NH1BARG I 228 -7.392 1.673 42.391 0.50 5.20 N +ATOM 677 NH2AARG I 228 -2.495 1.931 42.033 0.50 3.94 N +ATOM 678 NH2BARG I 228 -5.587 0.289 42.059 0.50 4.94 N +ATOM 679 N LEU I 229 -8.620 2.252 36.726 1.00 4.33 N +ATOM 680 CA LEU I 229 -9.178 1.216 35.852 1.00 4.34 C +ATOM 681 C LEU I 229 -8.785 1.481 34.405 1.00 4.56 C +ATOM 682 O LEU I 229 -8.273 0.592 33.718 1.00 4.80 O +ATOM 683 CB LEU I 229 -10.700 1.177 35.968 1.00 4.37 C +ATOM 684 CG LEU I 229 -11.474 0.172 35.105 1.00 4.56 C +ATOM 685 CD1 LEU I 229 -10.902 -1.236 35.237 1.00 4.57 C +ATOM 686 CD2 LEU I 229 -12.972 0.196 35.466 1.00 3.85 C +ATOM 687 N CYS I 230 -9.010 2.713 33.955 1.00 4.64 N +ATOM 688 CA CYS I 230 -8.687 3.101 32.585 1.00 4.72 C +ATOM 689 C CYS I 230 -7.190 2.969 32.294 1.00 4.80 C +ATOM 690 O CYS I 230 -6.798 2.419 31.261 1.00 5.27 O +ATOM 691 CB CYS I 230 -9.159 4.531 32.310 1.00 4.86 C +ATOM 692 SG CYS I 230 -10.975 4.717 32.248 1.00 5.13 S +ATOM 693 N ASN I 231 -6.352 3.460 33.200 1.00 4.72 N +ATOM 694 CA ASN I 231 -4.898 3.339 33.030 1.00 4.56 C +ATOM 695 C ASN I 231 -4.441 1.881 32.933 1.00 4.45 C +ATOM 696 O ASN I 231 -3.555 1.552 32.131 1.00 4.74 O +ATOM 697 CB ASN I 231 -4.150 4.048 34.169 1.00 4.57 C +ATOM 698 CG ASN I 231 -4.235 5.568 34.079 1.00 4.76 C +ATOM 699 OD1 ASN I 231 -4.217 6.141 32.990 1.00 5.86 O +ATOM 700 ND2 ASN I 231 -4.305 6.227 35.231 1.00 4.34 N +ATOM 701 N ALA I 232 -5.046 1.015 33.744 1.00 4.24 N +ATOM 702 CA ALA I 232 -4.685 -0.409 33.782 1.00 4.13 C +ATOM 703 C ALA I 232 -5.142 -1.196 32.552 1.00 4.11 C +ATOM 704 O ALA I 232 -4.559 -2.226 32.232 1.00 4.47 O +ATOM 705 CB ALA I 232 -5.223 -1.060 35.039 1.00 3.92 C +ATOM 706 N LEU I 233 -6.179 -0.725 31.869 1.00 4.01 N +ATOM 707 CA LEU I 233 -6.679 -1.403 30.670 1.00 3.97 C +ATOM 708 C LEU I 233 -6.166 -0.748 29.394 1.00 4.08 C +ATOM 709 O LEU I 233 -5.839 -1.445 28.430 1.00 4.14 O +ATOM 710 CB LEU I 233 -8.211 -1.424 30.658 1.00 4.09 C +ATOM 711 CG LEU I 233 -8.911 -2.354 31.661 1.00 3.80 C +ATOM 712 CD1 LEU I 233 -10.375 -2.045 31.714 1.00 3.09 C +ATOM 713 CD2 LEU I 233 -8.693 -3.816 31.301 1.00 3.29 C +ATOM 714 N LEU I 234 -6.099 0.585 29.386 1.00 4.13 N +ATOM 715 CA LEU I 234 -5.716 1.343 28.181 1.00 4.17 C +ATOM 716 C LEU I 234 -4.218 1.671 28.086 1.00 4.18 C +ATOM 717 O LEU I 234 -3.736 2.024 27.008 1.00 4.22 O +ATOM 718 CB LEU I 234 -6.509 2.653 28.099 1.00 4.18 C +ATOM 719 CG LEU I 234 -8.037 2.565 28.117 1.00 4.14 C +ATOM 720 CD1 LEU I 234 -8.639 3.962 28.114 1.00 3.49 C +ATOM 721 CD2 LEU I 234 -8.551 1.759 26.933 1.00 4.02 C +ATOM 722 N ARG I 235 -3.494 1.590 29.205 1.00 4.14 N +ATOM 723 CA ARG I 235 -2.070 1.948 29.232 1.00 4.07 C +ATOM 724 C ARG I 235 -1.247 1.037 30.144 1.00 3.92 C +ATOM 725 O ARG I 235 -0.607 1.511 31.086 1.00 3.94 O +ATOM 726 CB ARG I 235 -1.889 3.401 29.678 1.00 4.11 C +ATOM 727 CG ARG I 235 -2.727 4.405 28.920 1.00 4.50 C +ATOM 728 CD ARG I 235 -2.455 5.809 29.404 1.00 4.76 C +ATOM 729 NE ARG I 235 -3.386 6.773 28.827 1.00 5.12 N +ATOM 730 CZ ARG I 235 -4.634 6.988 29.250 1.00 5.48 C +ATOM 731 NH1 ARG I 235 -5.148 6.299 30.267 1.00 5.04 N +ATOM 732 NH2 ARG I 235 -5.377 7.909 28.641 1.00 5.83 N +ATOM 733 N PRO I 236 -1.244 -0.275 29.862 1.00 3.83 N +ATOM 734 CA PRO I 236 -0.419 -1.176 30.660 1.00 3.80 C +ATOM 735 C PRO I 236 1.068 -0.843 30.551 1.00 4.04 C +ATOM 736 O PRO I 236 1.539 -0.427 29.493 1.00 3.65 O +ATOM 737 CB PRO I 236 -0.709 -2.554 30.054 1.00 3.80 C +ATOM 738 CG PRO I 236 -1.221 -2.282 28.685 1.00 3.67 C +ATOM 739 CD PRO I 236 -1.963 -0.986 28.790 1.00 3.81 C +ATOM 740 N ARG I 237 1.785 -1.016 31.655 1.00 4.31 N +ATOM 741 CA ARG I 237 3.217 -0.785 31.697 1.00 4.15 C +ATOM 742 C ARG I 237 3.888 -1.995 31.081 1.00 4.35 C +ATOM 743 O ARG I 237 4.279 -1.965 29.908 1.00 4.64 O +ATOM 744 CB ARG I 237 3.695 -0.573 33.138 1.00 4.20 C +ATOM 745 CG ARG I 237 2.939 0.539 33.893 1.00 4.62 C +ATOM 746 CD ARG I 237 3.203 0.505 35.401 1.00 4.84 C +ATOM 747 NE ARG I 237 2.209 1.269 36.170 1.00 5.20 N +ATOM 748 CZ ARG I 237 2.169 2.600 36.263 1.00 5.29 C +ATOM 749 NH1 ARG I 237 3.068 3.357 35.636 1.00 5.55 N +ATOM 750 NH2 ARG I 237 1.229 3.183 37.001 1.00 4.96 N Added: SwiftApps/modFTdock/input/indata/3fxt-3.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3fxt-3.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3fxt-3.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,721 @@ +ATOM 1 N GLN F 42 96.815 52.277 36.553 1.00 19.94 N +ATOM 2 CA GLN F 42 97.703 51.994 37.722 1.00 20.22 C +ATOM 3 C GLN F 42 97.462 50.597 38.323 1.00 19.80 C +ATOM 4 O GLN F 42 98.420 49.900 38.662 1.00 19.74 O +ATOM 5 CB GLN F 42 97.554 53.073 38.802 1.00 20.30 C +ATOM 6 CG GLN F 42 98.470 54.286 38.616 1.00 21.43 C +ATOM 7 CD GLN F 42 99.815 54.155 39.341 1.00 22.11 C +ATOM 8 OE1 GLN F 42 100.611 53.249 39.064 1.00 22.15 O +ATOM 9 NE2 GLN F 42 100.074 55.076 40.266 1.00 21.87 N +ATOM 10 N ASER F 43 96.198 50.203 38.459 0.50 19.57 N +ATOM 11 N BSER F 43 96.193 50.209 38.444 0.50 19.62 N +ATOM 12 CA ASER F 43 95.857 48.870 38.983 0.50 19.31 C +ATOM 13 CA BSER F 43 95.822 48.876 38.940 0.50 19.40 C +ATOM 14 C ASER F 43 96.004 47.777 37.917 0.50 18.96 C +ATOM 15 C BSER F 43 96.070 47.801 37.879 0.50 19.00 C +ATOM 16 O ASER F 43 95.518 47.907 36.793 0.50 18.92 O +ATOM 17 O BSER F 43 95.724 47.972 36.709 0.50 18.91 O +ATOM 18 CB ASER F 43 94.445 48.851 39.572 0.50 19.22 C +ATOM 19 CB BSER F 43 94.351 48.841 39.360 0.50 19.35 C +ATOM 20 OG ASER F 43 94.421 49.476 40.842 0.50 19.10 O +ATOM 21 OG BSER F 43 93.505 48.700 38.231 0.50 19.50 O +ATOM 22 N MET F 44 96.670 46.693 38.298 1.00 18.65 N +ATOM 23 CA MET F 44 97.009 45.609 37.372 1.00 18.05 C +ATOM 24 C MET F 44 95.848 44.683 37.058 1.00 16.66 C +ATOM 25 O MET F 44 95.039 44.380 37.919 1.00 16.88 O +ATOM 26 CB MET F 44 98.158 44.789 37.937 1.00 18.27 C +ATOM 27 CG MET F 44 97.851 44.114 39.257 1.00 19.72 C +ATOM 28 SD MET F 44 99.353 43.527 40.021 1.00 21.94 S +ATOM 29 CE MET F 44 100.156 45.117 40.282 1.00 23.07 C +ATOM 30 N ASP F 45 95.788 44.240 35.811 1.00 15.32 N +ATOM 31 CA ASP F 45 94.855 43.217 35.387 1.00 14.29 C +ATOM 32 C ASP F 45 95.383 41.885 35.937 1.00 13.30 C +ATOM 33 O ASP F 45 96.544 41.522 35.708 1.00 13.41 O +ATOM 34 CB ASP F 45 94.782 43.197 33.859 1.00 14.22 C +ATOM 35 CG ASP F 45 93.628 42.353 33.312 1.00 15.36 C +ATOM 36 OD1 ASP F 45 92.927 41.638 34.076 1.00 15.28 O +ATOM 37 OD2 ASP F 45 93.441 42.391 32.077 1.00 17.98 O +ATOM 38 N LEU F 46 94.543 41.168 36.677 1.00 11.66 N +ATOM 39 CA LEU F 46 94.936 39.861 37.237 1.00 10.59 C +ATOM 40 C LEU F 46 94.760 38.719 36.233 1.00 9.85 C +ATOM 41 O LEU F 46 95.421 37.694 36.332 1.00 9.39 O +ATOM 42 CB LEU F 46 94.186 39.564 38.533 1.00 10.14 C +ATOM 43 CG LEU F 46 94.951 39.974 39.788 1.00 9.61 C +ATOM 44 CD1 LEU F 46 95.307 41.450 39.743 1.00 8.83 C +ATOM 45 CD2 LEU F 46 94.145 39.639 41.049 1.00 7.94 C +ATOM 46 N GLN F 47 93.864 38.917 35.271 1.00 9.40 N +ATOM 47 CA GLN F 47 93.755 38.056 34.089 1.00 8.84 C +ATOM 48 C GLN F 47 93.463 36.595 34.418 1.00 7.91 C +ATOM 49 O GLN F 47 94.111 35.676 33.896 1.00 7.10 O +ATOM 50 CB GLN F 47 95.014 38.195 33.234 1.00 9.23 C +ATOM 51 CG GLN F 47 95.123 39.578 32.612 1.00 10.83 C +ATOM 52 CD GLN F 47 96.450 39.849 31.961 1.00 12.36 C +ATOM 53 OE1 GLN F 47 97.406 39.089 32.136 1.00 14.67 O +ATOM 54 NE2 GLN F 47 96.526 40.941 31.199 1.00 11.34 N +ATOM 55 N GLY F 48 92.466 36.404 35.281 1.00 7.25 N +ATOM 56 CA GLY F 48 92.058 35.074 35.732 1.00 6.73 C +ATOM 57 C GLY F 48 91.235 34.337 34.691 1.00 6.32 C +ATOM 58 O GLY F 48 90.648 34.952 33.807 1.00 6.01 O +ATOM 59 N GLU F 49 91.212 33.014 34.807 1.00 5.93 N +ATOM 60 CA GLU F 49 90.449 32.137 33.918 1.00 5.92 C +ATOM 61 C GLU F 49 89.073 31.885 34.488 1.00 5.48 C +ATOM 62 O GLU F 49 88.924 31.576 35.654 1.00 4.90 O +ATOM 63 CB GLU F 49 91.141 30.775 33.754 1.00 5.90 C +ATOM 64 CG GLU F 49 92.181 30.725 32.682 1.00 7.56 C +ATOM 65 CD GLU F 49 92.910 29.391 32.613 1.00 9.43 C +ATOM 66 OE1 GLU F 49 92.567 28.472 33.386 1.00 11.63 O +ATOM 67 OE2 GLU F 49 93.843 29.267 31.792 1.00 9.83 O +ATOM 68 N LEU F 50 88.072 32.005 33.639 1.00 5.82 N +ATOM 69 CA LEU F 50 86.700 31.732 34.019 1.00 6.10 C +ATOM 70 C LEU F 50 86.417 30.236 33.859 1.00 6.18 C +ATOM 71 O LEU F 50 86.834 29.634 32.874 1.00 6.06 O +ATOM 72 CB LEU F 50 85.761 32.559 33.139 1.00 5.93 C +ATOM 73 CG LEU F 50 84.251 32.371 33.287 1.00 5.98 C +ATOM 74 CD1 LEU F 50 83.775 32.768 34.671 1.00 5.72 C +ATOM 75 CD2 LEU F 50 83.523 33.189 32.212 1.00 5.86 C +ATOM 76 N ASP F 51 85.717 29.641 34.827 1.00 6.55 N +ATOM 77 CA ASP F 51 85.238 28.255 34.692 1.00 7.02 C +ATOM 78 C ASP F 51 83.730 28.235 34.478 1.00 7.43 C +ATOM 79 O ASP F 51 83.076 29.271 34.553 1.00 7.22 O +ATOM 80 CB ASP F 51 85.643 27.383 35.892 1.00 6.96 C +ATOM 81 CG ASP F 51 85.097 27.888 37.229 1.00 7.40 C +ATOM 82 OD1 ASP F 51 83.950 28.377 37.297 1.00 6.92 O +ATOM 83 OD2 ASP F 51 85.820 27.758 38.234 1.00 10.36 O +ATOM 84 N ARG F 52 83.179 27.051 34.234 1.00 8.09 N +ATOM 85 CA ARG F 52 81.750 26.932 33.929 1.00 8.90 C +ATOM 86 C ARG F 52 80.827 27.081 35.142 1.00 8.06 C +ATOM 87 O ARG F 52 79.608 27.107 34.986 1.00 8.29 O +ATOM 88 CB ARG F 52 81.466 25.625 33.189 1.00 9.81 C +ATOM 89 CG ARG F 52 81.719 24.374 34.017 1.00 13.59 C +ATOM 90 CD ARG F 52 82.578 23.355 33.242 1.00 18.16 C +ATOM 91 NE ARG F 52 83.030 22.247 34.095 1.00 20.80 N +ATOM 92 CZ ARG F 52 83.924 22.359 35.077 1.00 22.00 C +ATOM 93 NH1 ARG F 52 84.482 23.534 35.380 1.00 23.44 N +ATOM 94 NH2 ARG F 52 84.257 21.286 35.770 1.00 22.38 N +ATOM 95 N PHE F 53 81.393 27.189 36.341 1.00 7.10 N +ATOM 96 CA PHE F 53 80.604 27.562 37.516 1.00 6.20 C +ATOM 97 C PHE F 53 80.541 29.071 37.703 1.00 5.76 C +ATOM 98 O PHE F 53 79.898 29.559 38.634 1.00 5.85 O +ATOM 99 CB PHE F 53 81.157 26.896 38.766 1.00 6.13 C +ATOM 100 CG PHE F 53 81.152 25.413 38.689 1.00 5.15 C +ATOM 101 CD1 PHE F 53 79.959 24.722 38.676 1.00 4.63 C +ATOM 102 CD2 PHE F 53 82.336 24.707 38.593 1.00 5.69 C +ATOM 103 CE1 PHE F 53 79.937 23.359 38.581 1.00 4.80 C +ATOM 104 CE2 PHE F 53 82.323 23.334 38.502 1.00 5.46 C +ATOM 105 CZ PHE F 53 81.118 22.662 38.494 1.00 5.56 C +ATOM 106 N GLY F 54 81.188 29.806 36.804 1.00 4.96 N +ATOM 107 CA GLY F 54 81.213 31.259 36.869 1.00 4.30 C +ATOM 108 C GLY F 54 82.271 31.762 37.825 1.00 3.53 C +ATOM 109 O GLY F 54 82.214 32.905 38.265 1.00 3.88 O +ATOM 110 N GLY F 55 83.243 30.908 38.135 1.00 2.38 N +ATOM 111 CA GLY F 55 84.370 31.283 38.979 1.00 2.00 C +ATOM 112 C GLY F 55 85.607 31.747 38.219 1.00 2.00 C +ATOM 113 O GLY F 55 85.786 31.442 37.039 1.00 2.00 O +ATOM 114 N ILE F 56 86.462 32.483 38.917 1.00 2.00 N +ATOM 115 CA ILE F 56 87.695 33.004 38.356 1.00 2.00 C +ATOM 116 C ILE F 56 88.895 32.440 39.114 1.00 2.00 C +ATOM 117 O ILE F 56 88.943 32.502 40.337 1.00 2.00 O +ATOM 118 CB ILE F 56 87.739 34.539 38.437 1.00 2.00 C +ATOM 119 CG1 ILE F 56 86.607 35.165 37.616 1.00 2.00 C +ATOM 120 CG2 ILE F 56 89.077 35.061 37.935 1.00 2.00 C +ATOM 121 CD1 ILE F 56 86.731 34.937 36.124 1.00 2.00 C +ATOM 122 N SER F 57 89.850 31.887 38.376 1.00 2.00 N +ATOM 123 CA SER F 57 91.084 31.365 38.954 1.00 2.00 C +ATOM 124 C SER F 57 92.290 32.216 38.536 1.00 2.00 C +ATOM 125 O SER F 57 92.563 32.386 37.353 1.00 2.00 O +ATOM 126 CB SER F 57 91.287 29.926 38.516 1.00 2.00 C +ATOM 127 OG SER F 57 90.233 29.116 39.029 1.00 2.00 O +ATOM 128 N VAL F 58 92.996 32.747 39.524 1.00 2.00 N +ATOM 129 CA VAL F 58 94.211 33.513 39.307 1.00 2.00 C +ATOM 130 C VAL F 58 95.400 32.669 39.793 1.00 2.00 C +ATOM 131 O VAL F 58 95.353 32.071 40.882 1.00 2.00 O +ATOM 132 CB VAL F 58 94.148 34.848 40.063 1.00 2.00 C +ATOM 133 CG1 VAL F 58 95.420 35.662 39.859 1.00 2.00 C +ATOM 134 CG2 VAL F 58 92.917 35.655 39.631 1.00 2.00 C +ATOM 135 N ARG F 59 96.445 32.603 38.975 1.00 2.00 N +ATOM 136 CA ARG F 59 97.639 31.863 39.303 1.00 2.00 C +ATOM 137 C ARG F 59 98.818 32.814 39.381 1.00 2.00 C +ATOM 138 O ARG F 59 99.237 33.369 38.375 1.00 2.00 O +ATOM 139 CB ARG F 59 97.890 30.777 38.257 1.00 2.00 C +ATOM 140 CG ARG F 59 96.822 29.688 38.282 1.00 2.00 C +ATOM 141 CD ARG F 59 97.008 28.641 37.191 1.00 2.27 C +ATOM 142 NE ARG F 59 96.048 27.545 37.354 1.00 5.16 N +ATOM 143 CZ ARG F 59 94.789 27.552 36.907 1.00 8.99 C +ATOM 144 NH1 ARG F 59 94.300 28.599 36.238 1.00 10.51 N +ATOM 145 NH2 ARG F 59 94.003 26.501 37.126 1.00 10.25 N +ATOM 146 N LEU F 60 99.340 32.998 40.586 1.00 2.00 N +ATOM 147 CA LEU F 60 100.471 33.901 40.817 1.00 2.00 C +ATOM 148 C LEU F 60 101.729 33.418 40.105 1.00 2.00 C +ATOM 149 O LEU F 60 102.573 34.234 39.729 1.00 2.00 O +ATOM 150 CB LEU F 60 100.733 34.084 42.317 1.00 2.00 C +ATOM 151 CG LEU F 60 99.886 35.170 42.988 1.00 2.00 C +ATOM 152 CD1 LEU F 60 100.240 36.556 42.432 1.00 2.00 C +ATOM 153 CD2 LEU F 60 98.385 34.924 42.842 1.00 2.00 C +ATOM 154 N ALA F 61 101.848 32.103 39.907 1.00 2.00 N +ATOM 155 CA ALA F 61 102.970 31.547 39.155 1.00 2.00 C +ATOM 156 C ALA F 61 102.994 32.074 37.714 1.00 2.00 C +ATOM 157 O ALA F 61 104.044 32.100 37.086 1.00 2.00 O +ATOM 158 CB ALA F 61 102.926 30.031 39.145 1.00 2.00 C +ATOM 159 N ARG F 62 101.831 32.465 37.189 1.00 2.00 N +ATOM 160 CA ARG F 62 101.756 33.035 35.849 1.00 2.00 C +ATOM 161 C ARG F 62 101.880 34.550 35.908 1.00 2.00 C +ATOM 162 O ARG F 62 102.597 35.156 35.125 1.00 2.00 O +ATOM 163 CB ARG F 62 100.436 32.680 35.187 1.00 2.00 C +ATOM 164 CG ARG F 62 100.242 31.204 34.974 1.00 2.00 C +ATOM 165 CD ARG F 62 98.993 30.937 34.177 1.00 2.00 C +ATOM 166 NE ARG F 62 98.623 29.527 34.230 1.00 2.00 N +ATOM 167 CZ ARG F 62 97.551 29.022 33.640 1.00 2.00 C +ATOM 168 NH1 ARG F 62 96.745 29.807 32.933 1.00 2.00 N +ATOM 169 NH2 ARG F 62 97.293 27.726 33.747 1.00 2.00 N +ATOM 170 N LEU F 63 101.159 35.142 36.848 1.00 2.00 N +ATOM 171 CA LEU F 63 101.028 36.585 36.953 1.00 2.00 C +ATOM 172 C LEU F 63 102.324 37.238 37.417 1.00 2.00 C +ATOM 173 O LEU F 63 102.644 38.336 36.993 1.00 2.00 O +ATOM 174 CB LEU F 63 99.881 36.910 37.907 1.00 2.00 C +ATOM 175 CG LEU F 63 99.501 38.368 38.118 1.00 2.00 C +ATOM 176 CD1 LEU F 63 98.938 38.977 36.849 1.00 2.79 C +ATOM 177 CD2 LEU F 63 98.482 38.419 39.243 1.00 3.40 C +ATOM 178 N ASP F 64 103.071 36.539 38.268 1.00 2.00 N +ATOM 179 CA ASP F 64 104.355 37.012 38.802 1.00 2.00 C +ATOM 180 C ASP F 64 105.410 35.905 38.699 1.00 2.00 C +ATOM 181 O ASP F 64 105.956 35.428 39.699 1.00 2.00 O +ATOM 182 CB ASP F 64 104.154 37.442 40.258 1.00 2.00 C +ATOM 183 CG ASP F 64 105.400 38.056 40.879 1.00 2.00 C +ATOM 184 OD1 ASP F 64 105.522 37.998 42.127 1.00 2.00 O +ATOM 185 OD2 ASP F 64 106.251 38.602 40.133 1.00 3.81 O +ATOM 186 N ALA F 65 105.701 35.511 37.468 1.00 2.00 N +ATOM 187 CA ALA F 65 106.560 34.356 37.206 1.00 2.00 C +ATOM 188 C ALA F 65 107.976 34.568 37.722 1.00 2.00 C +ATOM 189 O ALA F 65 108.637 33.617 38.128 1.00 2.00 O +ATOM 190 CB ALA F 65 106.573 34.036 35.715 1.00 2.00 C +ATOM 191 N LEU F 66 108.430 35.816 37.727 1.00 2.00 N +ATOM 192 CA LEU F 66 109.781 36.148 38.188 1.00 2.00 C +ATOM 193 C LEU F 66 109.860 36.491 39.684 1.00 2.00 C +ATOM 194 O LEU F 66 110.942 36.817 40.184 1.00 2.00 O +ATOM 195 CB LEU F 66 110.369 37.298 37.345 1.00 2.00 C +ATOM 196 CG LEU F 66 110.517 37.013 35.834 1.00 2.00 C +ATOM 197 CD1 LEU F 66 110.779 38.292 35.031 1.00 2.56 C +ATOM 198 CD2 LEU F 66 111.612 35.984 35.554 1.00 3.04 C +ATOM 199 N ASP F 67 108.728 36.420 40.389 1.00 2.00 N +ATOM 200 CA ASP F 67 108.672 36.721 41.819 1.00 2.00 C +ATOM 201 C ASP F 67 109.199 38.130 42.103 1.00 2.00 C +ATOM 202 O ASP F 67 110.079 38.328 42.948 1.00 2.00 O +ATOM 203 CB ASP F 67 109.451 35.670 42.623 1.00 2.00 C +ATOM 204 CG ASP F 67 109.094 35.672 44.109 1.00 2.00 C +ATOM 205 OD1 ASP F 67 108.077 36.294 44.504 1.00 2.00 O +ATOM 206 OD2 ASP F 67 109.844 35.047 44.893 1.00 2.00 O +ATOM 207 N ARG F 68 108.645 39.101 41.387 1.00 2.00 N +ATOM 208 CA ARG F 68 109.065 40.487 41.505 1.00 2.00 C +ATOM 209 C ARG F 68 107.953 41.435 41.926 1.00 2.00 C +ATOM 210 O ARG F 68 108.206 42.630 42.094 1.00 2.00 O +ATOM 211 CB ARG F 68 109.603 40.959 40.165 1.00 2.00 C +ATOM 212 CG ARG F 68 110.937 40.400 39.829 1.00 2.00 C +ATOM 213 CD ARG F 68 111.359 40.904 38.494 1.00 2.00 C +ATOM 214 NE ARG F 68 112.658 40.356 38.152 1.00 2.00 N +ATOM 215 CZ ARG F 68 113.294 40.583 37.017 1.00 2.00 C +ATOM 216 NH1 ARG F 68 112.751 41.362 36.093 1.00 2.00 N +ATOM 217 NH2 ARG F 68 114.483 40.029 36.819 1.00 2.26 N +ATOM 218 N LEU F 69 106.730 40.921 42.081 1.00 2.00 N +ATOM 219 CA LEU F 69 105.592 41.786 42.333 1.00 2.00 C +ATOM 220 C LEU F 69 105.449 42.161 43.814 1.00 2.00 C +ATOM 221 O LEU F 69 105.550 41.313 44.696 1.00 2.00 O +ATOM 222 CB LEU F 69 104.315 41.139 41.826 1.00 2.00 C +ATOM 223 CG LEU F 69 103.029 41.922 42.068 1.00 2.00 C +ATOM 224 CD1 LEU F 69 103.070 43.215 41.279 1.00 2.00 C +ATOM 225 CD2 LEU F 69 101.842 41.067 41.682 1.00 2.00 C +ATOM 226 N ASP F 70 105.184 43.441 44.058 1.00 2.00 N +ATOM 227 CA ASP F 70 105.017 43.978 45.403 1.00 2.00 C +ATOM 228 C ASP F 70 103.648 43.625 45.967 1.00 2.00 C +ATOM 229 O ASP F 70 102.645 43.710 45.259 1.00 2.00 O +ATOM 230 CB ASP F 70 105.172 45.501 45.375 1.00 2.00 C +ATOM 231 CG ASP F 70 105.004 46.129 46.742 1.00 2.00 C +ATOM 232 OD1 ASP F 70 105.860 45.882 47.634 1.00 2.00 O +ATOM 233 OD2 ASP F 70 104.019 46.877 46.915 1.00 2.00 O +ATOM 234 N ALA F 71 103.615 43.271 47.252 1.00 2.00 N +ATOM 235 CA ALA F 71 102.374 42.854 47.917 1.00 2.00 C +ATOM 236 C ALA F 71 101.312 43.939 47.881 1.00 2.00 C +ATOM 237 O ALA F 71 100.149 43.671 47.570 1.00 2.00 O +ATOM 238 CB ALA F 71 102.645 42.434 49.357 1.00 2.00 C +ATOM 239 N ALA F 72 101.713 45.166 48.182 1.00 2.00 N +ATOM 240 CA ALA F 72 100.776 46.274 48.222 1.00 2.00 C +ATOM 241 C ALA F 72 100.203 46.530 46.819 1.00 2.00 C +ATOM 242 O ALA F 72 99.016 46.810 46.656 1.00 2.00 O +ATOM 243 CB ALA F 72 101.457 47.541 48.811 1.00 2.00 C +ATOM 244 N ALA F 73 101.053 46.418 45.804 1.00 2.00 N +ATOM 245 CA ALA F 73 100.595 46.583 44.424 1.00 2.00 C +ATOM 246 C ALA F 73 99.638 45.436 44.048 1.00 2.00 C +ATOM 247 O ALA F 73 98.592 45.653 43.438 1.00 2.00 O +ATOM 248 CB ALA F 73 101.780 46.661 43.465 1.00 2.00 C +ATOM 249 N PHE F 74 99.976 44.220 44.440 1.00 2.00 N +ATOM 250 CA PHE F 74 99.057 43.087 44.235 1.00 2.00 C +ATOM 251 C PHE F 74 97.715 43.360 44.908 1.00 2.00 C +ATOM 252 O PHE F 74 96.667 43.191 44.314 1.00 2.00 O +ATOM 253 CB PHE F 74 99.633 41.770 44.758 1.00 2.00 C +ATOM 254 CG PHE F 74 98.643 40.637 44.726 1.00 2.00 C +ATOM 255 CD1 PHE F 74 98.277 40.049 43.521 1.00 2.00 C +ATOM 256 CD2 PHE F 74 98.046 40.191 45.888 1.00 2.00 C +ATOM 257 CE1 PHE F 74 97.345 39.040 43.485 1.00 2.00 C +ATOM 258 CE2 PHE F 74 97.128 39.180 45.859 1.00 2.00 C +ATOM 259 CZ PHE F 74 96.779 38.595 44.663 1.00 2.00 C +ATOM 260 N GLN F 75 97.759 43.834 46.137 1.00 2.00 N +ATOM 261 CA GLN F 75 96.537 44.104 46.854 1.00 2.00 C +ATOM 262 C GLN F 75 95.664 45.124 46.133 1.00 2.00 C +ATOM 263 O GLN F 75 94.453 44.934 46.017 1.00 2.00 O +ATOM 264 CB GLN F 75 96.813 44.566 48.280 1.00 2.00 C +ATOM 265 CG GLN F 75 95.521 44.718 49.085 1.00 3.43 C +ATOM 266 CD GLN F 75 95.718 45.450 50.385 1.00 8.62 C +ATOM 267 OE1 GLN F 75 96.724 45.251 51.075 1.00 11.77 O +ATOM 268 NE2 GLN F 75 94.751 46.305 50.740 1.00 11.87 N +ATOM 269 N LYS F 76 96.281 46.196 45.654 1.00 2.00 N +ATOM 270 CA LYS F 76 95.542 47.226 44.922 1.00 2.00 C +ATOM 271 C LYS F 76 94.882 46.593 43.688 1.00 2.00 C +ATOM 272 O LYS F 76 93.692 46.793 43.433 1.00 2.00 O +ATOM 273 CB LYS F 76 96.474 48.369 44.530 1.00 2.00 C +ATOM 274 CG LYS F 76 95.765 49.638 44.090 1.00 5.41 C +ATOM 275 CD LYS F 76 96.768 50.769 43.809 1.00 8.97 C +ATOM 276 CE LYS F 76 96.166 51.844 42.900 1.00 11.16 C +ATOM 277 NZ LYS F 76 97.205 52.578 42.106 1.00 13.62 N +ATOM 278 N GLY F 77 95.655 45.789 42.959 1.00 2.00 N +ATOM 279 CA GLY F 77 95.131 45.036 41.828 1.00 2.00 C +ATOM 280 C GLY F 77 93.943 44.138 42.173 1.00 2.00 C +ATOM 281 O GLY F 77 92.951 44.116 41.448 1.00 2.00 O +ATOM 282 N LEU F 78 94.034 43.418 43.287 1.00 2.00 N +ATOM 283 CA LEU F 78 92.997 42.447 43.672 1.00 2.00 C +ATOM 284 C LEU F 78 91.710 43.129 44.101 1.00 2.00 C +ATOM 285 O LEU F 78 90.613 42.663 43.787 1.00 2.00 O +ATOM 286 CB LEU F 78 93.494 41.525 44.793 1.00 2.00 C +ATOM 287 CG LEU F 78 92.548 40.431 45.320 1.00 2.00 C +ATOM 288 CD1 LEU F 78 92.271 39.388 44.250 1.00 2.00 C +ATOM 289 CD2 LEU F 78 93.136 39.767 46.568 1.00 2.00 C +ATOM 290 N GLN F 79 91.848 44.210 44.847 1.00 2.00 N +ATOM 291 CA GLN F 79 90.707 45.025 45.223 1.00 2.40 C +ATOM 292 C GLN F 79 89.930 45.476 43.985 1.00 2.14 C +ATOM 293 O GLN F 79 88.712 45.399 43.970 1.00 2.00 O +ATOM 294 CB GLN F 79 91.171 46.235 46.036 1.00 3.26 C +ATOM 295 CG GLN F 79 90.042 47.128 46.535 1.00 6.06 C +ATOM 296 CD GLN F 79 90.559 48.286 47.340 1.00 10.64 C +ATOM 297 OE1 GLN F 79 91.101 49.248 46.779 1.00 15.55 O +ATOM 298 NE2 GLN F 79 90.402 48.215 48.668 1.00 12.30 N +ATOM 299 N ALA F 80 90.634 45.928 42.949 1.00 2.11 N +ATOM 300 CA ALA F 80 89.973 46.423 41.731 1.00 2.36 C +ATOM 301 C ALA F 80 89.384 45.268 40.950 1.00 2.53 C +ATOM 302 O ALA F 80 88.286 45.378 40.424 1.00 2.80 O +ATOM 303 CB ALA F 80 90.938 47.221 40.854 1.00 2.00 C +ATOM 304 N ALA F 81 90.122 44.159 40.894 1.00 2.78 N +ATOM 305 CA ALA F 81 89.695 42.958 40.167 1.00 2.58 C +ATOM 306 C ALA F 81 88.435 42.360 40.777 1.00 2.75 C +ATOM 307 O ALA F 81 87.516 41.968 40.050 1.00 3.16 O +ATOM 308 CB ALA F 81 90.814 41.924 40.145 1.00 2.34 C +ATOM 309 N VAL F 82 88.381 42.306 42.106 1.00 2.90 N +ATOM 310 CA VAL F 82 87.172 41.850 42.797 1.00 2.87 C +ATOM 311 C VAL F 82 85.974 42.690 42.363 1.00 3.64 C +ATOM 312 O VAL F 82 84.935 42.144 42.048 1.00 3.54 O +ATOM 313 CB VAL F 82 87.353 41.795 44.341 1.00 2.91 C +ATOM 314 CG1 VAL F 82 86.017 41.617 45.049 1.00 2.00 C +ATOM 315 CG2 VAL F 82 88.305 40.617 44.724 1.00 2.00 C +ATOM 316 N GLN F 83 86.143 44.006 42.280 1.00 4.92 N +ATOM 317 CA GLN F 83 85.073 44.889 41.798 1.00 5.88 C +ATOM 318 C GLN F 83 84.671 44.559 40.353 1.00 5.67 C +ATOM 319 O GLN F 83 83.496 44.386 40.062 1.00 5.29 O +ATOM 320 CB GLN F 83 85.483 46.365 41.897 1.00 6.48 C +ATOM 321 CG GLN F 83 85.944 46.844 43.288 1.00 9.52 C +ATOM 322 CD GLN F 83 84.820 46.984 44.318 1.00 13.48 C +ATOM 323 OE1 GLN F 83 83.828 46.248 44.291 1.00 16.66 O +ATOM 324 NE2 GLN F 83 84.984 47.932 45.245 1.00 14.95 N +ATOM 325 N GLN F 84 85.655 44.473 39.463 1.00 5.80 N +ATOM 326 CA GLN F 84 85.429 44.073 38.066 1.00 6.25 C +ATOM 327 C GLN F 84 84.656 42.749 38.007 1.00 6.07 C +ATOM 328 O GLN F 84 83.741 42.602 37.208 1.00 6.27 O +ATOM 329 CB GLN F 84 86.768 43.868 37.335 1.00 6.84 C +ATOM 330 CG GLN F 84 87.011 44.678 36.041 1.00 8.74 C +ATOM 331 CD GLN F 84 85.832 44.741 35.080 1.00 9.59 C +ATOM 332 OE1 GLN F 84 85.225 45.799 34.923 1.00 10.91 O +ATOM 333 NE2 GLN F 84 85.518 43.625 34.421 1.00 9.64 N +ATOM 334 N TRP F 85 85.042 41.791 38.859 1.00 5.72 N +ATOM 335 CA TRP F 85 84.443 40.459 38.876 1.00 5.02 C +ATOM 336 C TRP F 85 83.027 40.448 39.427 1.00 5.40 C +ATOM 337 O TRP F 85 82.171 39.727 38.905 1.00 4.92 O +ATOM 338 CB TRP F 85 85.298 39.481 39.679 1.00 4.33 C +ATOM 339 CG TRP F 85 86.563 39.140 39.010 1.00 2.93 C +ATOM 340 CD1 TRP F 85 86.763 38.986 37.674 1.00 2.57 C +ATOM 341 CD2 TRP F 85 87.819 38.873 39.635 1.00 2.00 C +ATOM 342 NE1 TRP F 85 88.069 38.663 37.426 1.00 2.00 N +ATOM 343 CE2 TRP F 85 88.740 38.591 38.612 1.00 2.00 C +ATOM 344 CE3 TRP F 85 88.261 38.879 40.956 1.00 2.00 C +ATOM 345 CZ2 TRP F 85 90.073 38.292 38.866 1.00 2.00 C +ATOM 346 CZ3 TRP F 85 89.578 38.590 41.214 1.00 2.00 C +ATOM 347 CH2 TRP F 85 90.477 38.298 40.170 1.00 2.00 C +ATOM 348 N ARG F 86 82.788 41.216 40.484 1.00 5.87 N +ATOM 349 CA ARG F 86 81.429 41.389 40.994 1.00 6.97 C +ATOM 350 C ARG F 86 80.533 41.980 39.916 1.00 7.06 C +ATOM 351 O ARG F 86 79.419 41.524 39.711 1.00 7.25 O +ATOM 352 CB ARG F 86 81.399 42.301 42.216 1.00 7.22 C +ATOM 353 CG ARG F 86 81.976 41.679 43.467 1.00 8.99 C +ATOM 354 CD ARG F 86 81.341 42.279 44.706 1.00 12.02 C +ATOM 355 NE ARG F 86 81.569 41.459 45.896 1.00 14.41 N +ATOM 356 CZ ARG F 86 82.556 41.646 46.772 1.00 17.05 C +ATOM 357 NH1 ARG F 86 83.429 42.641 46.614 1.00 19.68 N +ATOM 358 NH2 ARG F 86 82.672 40.838 47.821 1.00 16.30 N +ATOM 359 N SER F 87 81.034 42.977 39.205 1.00 7.43 N +ATOM 360 CA SER F 87 80.226 43.623 38.184 1.00 8.11 C +ATOM 361 C SER F 87 80.004 42.670 37.003 1.00 8.13 C +ATOM 362 O SER F 87 78.959 42.703 36.356 1.00 8.13 O +ATOM 363 CB SER F 87 80.845 44.956 37.732 1.00 8.17 C +ATOM 364 OG SER F 87 81.661 44.789 36.587 1.00 8.97 O +ATOM 365 N GLU F 88 80.972 41.796 36.749 1.00 7.90 N +ATOM 366 CA GLU F 88 80.808 40.775 35.728 1.00 7.56 C +ATOM 367 C GLU F 88 79.772 39.708 36.135 1.00 7.07 C +ATOM 368 O GLU F 88 79.361 38.898 35.305 1.00 7.28 O +ATOM 369 CB GLU F 88 82.155 40.105 35.419 1.00 8.11 C +ATOM 370 CG GLU F 88 83.155 40.960 34.609 1.00 8.55 C +ATOM 371 CD GLU F 88 84.512 40.261 34.393 1.00 9.87 C +ATOM 372 OE1 GLU F 88 85.530 40.971 34.229 1.00 10.77 O +ATOM 373 OE2 GLU F 88 84.568 39.011 34.375 1.00 9.51 O +ATOM 374 N GLY F 89 79.361 39.692 37.403 1.00 6.02 N +ATOM 375 CA GLY F 89 78.438 38.662 37.915 1.00 5.18 C +ATOM 376 C GLY F 89 79.066 37.319 38.310 1.00 4.32 C +ATOM 377 O GLY F 89 78.382 36.301 38.382 1.00 3.86 O +ATOM 378 N ARG F 90 80.357 37.312 38.603 1.00 3.41 N +ATOM 379 CA ARG F 90 81.059 36.057 38.844 1.00 2.84 C +ATOM 380 C ARG F 90 80.716 35.439 40.193 1.00 2.02 C +ATOM 381 O ARG F 90 80.262 36.120 41.108 1.00 2.00 O +ATOM 382 CB ARG F 90 82.567 36.255 38.711 1.00 3.29 C +ATOM 383 CG ARG F 90 83.003 36.905 37.384 1.00 3.52 C +ATOM 384 CD ARG F 90 82.500 36.146 36.169 1.00 3.83 C +ATOM 385 NE ARG F 90 82.822 36.858 34.942 1.00 4.25 N +ATOM 386 CZ ARG F 90 82.313 36.595 33.745 1.00 3.65 C +ATOM 387 NH1 ARG F 90 81.451 35.601 33.576 1.00 4.29 N +ATOM 388 NH2 ARG F 90 82.686 37.333 32.704 1.00 4.13 N +ATOM 389 N THR F 91 80.953 34.135 40.296 1.00 2.00 N +ATOM 390 CA THR F 91 80.546 33.336 41.445 1.00 2.00 C +ATOM 391 C THR F 91 81.549 33.365 42.588 1.00 2.00 C +ATOM 392 O THR F 91 81.171 33.473 43.752 1.00 2.00 O +ATOM 393 CB THR F 91 80.380 31.877 41.027 1.00 2.00 C +ATOM 394 OG1 THR F 91 79.414 31.802 39.979 1.00 2.08 O +ATOM 395 CG2 THR F 91 79.918 31.001 42.204 1.00 2.00 C +ATOM 396 N ALA F 92 82.821 33.227 42.244 1.00 2.00 N +ATOM 397 CA ALA F 92 83.870 33.046 43.234 1.00 2.00 C +ATOM 398 C ALA F 92 85.238 33.338 42.634 1.00 2.00 C +ATOM 399 O ALA F 92 85.390 33.386 41.414 1.00 2.00 O +ATOM 400 CB ALA F 92 83.827 31.624 43.788 1.00 2.00 C +ATOM 401 N VAL F 93 86.218 33.553 43.504 1.00 2.00 N +ATOM 402 CA VAL F 93 87.602 33.731 43.085 1.00 2.00 C +ATOM 403 C VAL F 93 88.478 32.709 43.803 1.00 2.00 C +ATOM 404 O VAL F 93 88.317 32.484 44.994 1.00 2.00 O +ATOM 405 CB VAL F 93 88.136 35.157 43.386 1.00 2.00 C +ATOM 406 CG1 VAL F 93 89.536 35.332 42.807 1.00 2.00 C +ATOM 407 CG2 VAL F 93 87.200 36.216 42.835 1.00 2.00 C +ATOM 408 N TRP F 94 89.380 32.080 43.055 1.00 2.00 N +ATOM 409 CA TRP F 94 90.410 31.207 43.604 1.00 2.00 C +ATOM 410 C TRP F 94 91.778 31.797 43.248 1.00 2.00 C +ATOM 411 O TRP F 94 92.038 32.118 42.092 1.00 2.00 O +ATOM 412 CB TRP F 94 90.263 29.793 43.049 1.00 2.00 C +ATOM 413 CG TRP F 94 88.832 29.371 42.938 1.00 2.00 C +ATOM 414 CD1 TRP F 94 88.016 29.531 41.856 1.00 2.00 C +ATOM 415 CD2 TRP F 94 88.041 28.759 43.944 1.00 2.00 C +ATOM 416 NE1 TRP F 94 86.765 29.068 42.132 1.00 2.00 N +ATOM 417 CE2 TRP F 94 86.752 28.584 43.411 1.00 2.00 C +ATOM 418 CE3 TRP F 94 88.293 28.344 45.251 1.00 2.00 C +ATOM 419 CZ2 TRP F 94 85.720 28.010 44.129 1.00 2.58 C +ATOM 420 CZ3 TRP F 94 87.255 27.772 45.980 1.00 3.08 C +ATOM 421 CH2 TRP F 94 85.987 27.606 45.417 1.00 4.00 C +ATOM 422 N LEU F 95 92.640 31.954 44.245 1.00 2.00 N +ATOM 423 CA LEU F 95 93.979 32.467 44.036 1.00 2.00 C +ATOM 424 C LEU F 95 94.966 31.378 44.364 1.00 2.00 C +ATOM 425 O LEU F 95 95.006 30.926 45.490 1.00 2.00 O +ATOM 426 CB LEU F 95 94.267 33.663 44.954 1.00 2.00 C +ATOM 427 CG LEU F 95 93.342 34.876 45.018 1.00 2.00 C +ATOM 428 CD1 LEU F 95 93.941 35.900 46.000 1.00 2.00 C +ATOM 429 CD2 LEU F 95 93.078 35.547 43.647 1.00 2.00 C +ATOM 430 N HIS F 96 95.770 30.972 43.392 1.00 2.00 N +ATOM 431 CA HIS F 96 96.787 29.955 43.609 1.00 2.00 C +ATOM 432 C HIS F 96 98.132 30.638 43.821 1.00 2.00 C +ATOM 433 O HIS F 96 98.593 31.398 42.975 1.00 2.00 O +ATOM 434 CB HIS F 96 96.831 28.983 42.437 1.00 2.00 C +ATOM 435 CG HIS F 96 95.530 28.300 42.190 1.00 2.00 C +ATOM 436 ND1 HIS F 96 95.039 27.313 43.017 1.00 2.00 N +ATOM 437 CD2 HIS F 96 94.606 28.466 41.217 1.00 2.00 C +ATOM 438 CE1 HIS F 96 93.867 26.899 42.562 1.00 2.00 C +ATOM 439 NE2 HIS F 96 93.582 27.583 41.468 1.00 2.00 N +ATOM 440 N ILE F 97 98.731 30.376 44.981 1.00 2.00 N +ATOM 441 CA ILE F 97 99.884 31.109 45.460 1.00 2.00 C +ATOM 442 C ILE F 97 101.004 30.141 45.862 1.00 2.00 C +ATOM 443 O ILE F 97 100.909 29.441 46.871 1.00 2.00 O +ATOM 444 CB ILE F 97 99.520 32.022 46.673 1.00 2.00 C +ATOM 445 CG1 ILE F 97 98.370 32.973 46.327 1.00 2.00 C +ATOM 446 CG2 ILE F 97 100.752 32.820 47.137 1.00 2.00 C +ATOM 447 CD1 ILE F 97 97.783 33.712 47.526 1.00 2.00 C +ATOM 448 N PRO F 98 102.075 30.099 45.067 1.00 2.00 N +ATOM 449 CA PRO F 98 103.267 29.359 45.469 1.00 2.00 C +ATOM 450 C PRO F 98 103.743 29.809 46.848 1.00 2.00 C +ATOM 451 O PRO F 98 103.631 30.994 47.195 1.00 2.00 O +ATOM 452 CB PRO F 98 104.300 29.747 44.396 1.00 2.00 C +ATOM 453 CG PRO F 98 103.495 30.096 43.203 1.00 2.00 C +ATOM 454 CD PRO F 98 102.248 30.753 43.755 1.00 2.00 C +ATOM 455 N ILE F 99 104.257 28.865 47.625 1.00 2.00 N +ATOM 456 CA ILE F 99 104.601 29.135 49.012 1.00 2.00 C +ATOM 457 C ILE F 99 105.576 30.316 49.163 1.00 2.00 C +ATOM 458 O ILE F 99 105.413 31.146 50.064 1.00 2.00 O +ATOM 459 CB ILE F 99 105.148 27.867 49.722 1.00 2.00 C +ATOM 460 CG1 ILE F 99 105.144 28.069 51.239 1.00 2.00 C +ATOM 461 CG2 ILE F 99 106.539 27.457 49.173 1.00 2.00 C +ATOM 462 CD1 ILE F 99 105.176 26.750 52.022 1.00 2.00 C +ATOM 463 N LEU F 100 106.558 30.418 48.269 1.00 2.00 N +ATOM 464 CA LEU F 100 107.539 31.516 48.362 1.00 2.00 C +ATOM 465 C LEU F 100 106.948 32.886 48.037 1.00 2.00 C +ATOM 466 O LEU F 100 107.574 33.917 48.287 1.00 2.00 O +ATOM 467 CB LEU F 100 108.741 31.251 47.465 1.00 2.00 C +ATOM 468 CG LEU F 100 109.670 30.149 47.983 1.00 2.00 C +ATOM 469 CD1 LEU F 100 110.790 29.863 46.960 1.00 2.00 C +ATOM 470 CD2 LEU F 100 110.240 30.576 49.334 1.00 2.00 C +ATOM 471 N GLN F 101 105.746 32.895 47.488 1.00 2.00 N +ATOM 472 CA GLN F 101 105.025 34.126 47.248 1.00 2.00 C +ATOM 473 C GLN F 101 103.895 34.340 48.244 1.00 2.00 C +ATOM 474 O GLN F 101 102.940 35.050 47.967 1.00 2.00 O +ATOM 475 CB GLN F 101 104.516 34.139 45.818 1.00 2.00 C +ATOM 476 CG GLN F 101 105.627 34.471 44.837 1.00 2.00 C +ATOM 477 CD GLN F 101 105.228 34.224 43.412 1.00 2.00 C +ATOM 478 OE1 GLN F 101 104.828 33.122 43.067 1.00 3.46 O +ATOM 479 NE2 GLN F 101 105.320 35.247 42.576 1.00 2.00 N +ATOM 480 N SER F 102 104.032 33.795 49.442 1.00 2.00 N +ATOM 481 CA SER F 102 102.945 33.890 50.410 1.00 2.00 C +ATOM 482 C SER F 102 102.745 35.296 50.967 1.00 2.00 C +ATOM 483 O SER F 102 101.767 35.540 51.660 1.00 2.00 O +ATOM 484 CB SER F 102 103.116 32.864 51.526 1.00 2.00 C +ATOM 485 OG SER F 102 102.987 31.557 51.011 1.00 2.00 O +ATOM 486 N ARG F 103 103.630 36.233 50.627 1.00 2.00 N +ATOM 487 CA ARG F 103 103.414 37.647 50.976 1.00 2.00 C +ATOM 488 C ARG F 103 102.078 38.173 50.468 1.00 2.00 C +ATOM 489 O ARG F 103 101.567 39.146 50.985 1.00 2.00 O +ATOM 490 CB ARG F 103 104.544 38.535 50.436 1.00 2.00 C +ATOM 491 CG ARG F 103 104.607 38.648 48.923 1.00 2.00 C +ATOM 492 CD ARG F 103 105.869 39.381 48.482 1.00 2.00 C +ATOM 493 NE ARG F 103 106.025 39.443 47.027 1.00 2.00 N +ATOM 494 CZ ARG F 103 106.650 38.534 46.285 1.00 2.00 C +ATOM 495 NH1 ARG F 103 107.195 37.451 46.830 1.00 2.00 N +ATOM 496 NH2 ARG F 103 106.741 38.707 44.978 1.00 2.00 N +ATOM 497 N PHE F 104 101.521 37.524 49.454 1.00 2.00 N +ATOM 498 CA PHE F 104 100.243 37.941 48.877 1.00 2.00 C +ATOM 499 C PHE F 104 99.021 37.492 49.674 1.00 2.00 C +ATOM 500 O PHE F 104 97.913 37.930 49.384 1.00 2.00 O +ATOM 501 CB PHE F 104 100.106 37.435 47.425 1.00 2.00 C +ATOM 502 CG PHE F 104 101.199 37.907 46.500 1.00 2.00 C +ATOM 503 CD1 PHE F 104 101.519 39.257 46.410 1.00 2.00 C +ATOM 504 CD2 PHE F 104 101.903 37.007 45.716 1.00 2.00 C +ATOM 505 CE1 PHE F 104 102.521 39.701 45.558 1.00 2.00 C +ATOM 506 CE2 PHE F 104 102.921 37.440 44.871 1.00 2.00 C +ATOM 507 CZ PHE F 104 103.229 38.787 44.787 1.00 2.00 C +ATOM 508 N ILE F 105 99.199 36.616 50.665 1.00 2.00 N +ATOM 509 CA ILE F 105 98.036 36.040 51.366 1.00 2.00 C +ATOM 510 C ILE F 105 97.343 37.013 52.329 1.00 2.00 C +ATOM 511 O ILE F 105 96.135 37.213 52.238 1.00 2.00 O +ATOM 512 CB ILE F 105 98.398 34.738 52.108 1.00 2.00 C +ATOM 513 CG1 ILE F 105 98.778 33.646 51.097 1.00 2.00 C +ATOM 514 CG2 ILE F 105 97.240 34.297 52.985 1.00 2.00 C +ATOM 515 CD1 ILE F 105 99.519 32.475 51.696 1.00 2.00 C +ATOM 516 N ALA F 106 98.084 37.604 53.257 1.00 2.00 N +ATOM 517 CA ALA F 106 97.458 38.518 54.219 1.00 2.00 C +ATOM 518 C ALA F 106 96.707 39.657 53.512 1.00 2.00 C +ATOM 519 O ALA F 106 95.547 39.933 53.844 1.00 2.00 O +ATOM 520 CB ALA F 106 98.474 39.053 55.206 1.00 2.00 C +ATOM 521 N PRO F 107 97.335 40.285 52.509 1.00 2.00 N +ATOM 522 CA PRO F 107 96.616 41.282 51.724 1.00 2.00 C +ATOM 523 C PRO F 107 95.298 40.770 51.170 1.00 2.00 C +ATOM 524 O PRO F 107 94.276 41.436 51.326 1.00 2.00 O +ATOM 525 CB PRO F 107 97.594 41.596 50.596 1.00 2.00 C +ATOM 526 CG PRO F 107 98.911 41.470 51.235 1.00 2.00 C +ATOM 527 CD PRO F 107 98.768 40.268 52.160 1.00 2.00 C +ATOM 528 N ALA F 108 95.313 39.597 50.546 1.00 2.00 N +ATOM 529 CA ALA F 108 94.068 38.975 50.081 1.00 2.00 C +ATOM 530 C ALA F 108 93.095 38.751 51.234 1.00 2.00 C +ATOM 531 O ALA F 108 91.889 38.928 51.087 1.00 2.00 O +ATOM 532 CB ALA F 108 94.355 37.652 49.374 1.00 2.00 C +ATOM 533 N ALA F 109 93.623 38.351 52.385 1.00 2.00 N +ATOM 534 CA ALA F 109 92.783 38.071 53.544 1.00 2.00 C +ATOM 535 C ALA F 109 92.049 39.317 54.036 1.00 2.00 C +ATOM 536 O ALA F 109 90.893 39.216 54.419 1.00 2.00 O +ATOM 537 CB ALA F 109 93.588 37.436 54.664 1.00 2.00 C +ATOM 538 N SER F 110 92.697 40.479 54.013 1.00 2.53 N +ATOM 539 CA ASER F 110 92.029 41.742 54.362 0.50 3.10 C +ATOM 540 CA BSER F 110 92.019 41.731 54.377 0.50 3.12 C +ATOM 541 C SER F 110 90.812 41.951 53.477 1.00 3.42 C +ATOM 542 O SER F 110 89.749 42.369 53.941 1.00 4.36 O +ATOM 543 CB ASER F 110 92.972 42.929 54.186 0.50 3.09 C +ATOM 544 CB BSER F 110 92.959 42.929 54.268 0.50 3.10 C +ATOM 545 OG ASER F 110 94.101 42.815 55.034 0.50 3.53 O +ATOM 546 OG BSER F 110 93.352 43.156 52.924 0.50 3.68 O +ATOM 547 N LEU F 111 90.975 41.651 52.194 1.00 3.44 N +ATOM 548 CA LEU F 111 89.892 41.811 51.237 1.00 3.00 C +ATOM 549 C LEU F 111 88.870 40.680 51.322 1.00 2.50 C +ATOM 550 O LEU F 111 88.030 40.567 50.448 1.00 2.76 O +ATOM 551 CB LEU F 111 90.451 41.898 49.813 1.00 2.88 C +ATOM 552 CG LEU F 111 91.429 43.034 49.518 1.00 2.94 C +ATOM 553 CD1 LEU F 111 91.964 42.917 48.098 1.00 2.18 C +ATOM 554 CD2 LEU F 111 90.764 44.383 49.694 1.00 3.59 C +ATOM 555 N GLY F 112 88.952 39.837 52.350 1.00 2.08 N +ATOM 556 CA GLY F 112 87.968 38.751 52.582 1.00 2.00 C +ATOM 557 C GLY F 112 88.292 37.339 52.084 1.00 2.00 C +ATOM 558 O GLY F 112 87.472 36.429 52.211 1.00 2.00 O +ATOM 559 N PHE F 113 89.466 37.124 51.507 1.00 2.00 N +ATOM 560 CA PHE F 113 89.847 35.773 51.090 1.00 2.00 C +ATOM 561 C PHE F 113 90.164 34.887 52.294 1.00 2.00 C +ATOM 562 O PHE F 113 90.584 35.377 53.344 1.00 2.00 O +ATOM 563 CB PHE F 113 91.053 35.808 50.151 1.00 2.00 C +ATOM 564 CG PHE F 113 90.702 36.195 48.739 1.00 2.00 C +ATOM 565 CD1 PHE F 113 90.515 37.522 48.391 1.00 2.00 C +ATOM 566 CD2 PHE F 113 90.544 35.224 47.771 1.00 2.00 C +ATOM 567 CE1 PHE F 113 90.182 37.864 47.099 1.00 2.00 C +ATOM 568 CE2 PHE F 113 90.207 35.557 46.487 1.00 2.00 C +ATOM 569 CZ PHE F 113 90.025 36.884 46.140 1.00 2.00 C +ATOM 570 N CYS F 114 89.949 33.585 52.126 1.00 2.00 N +ATOM 571 CA ACYS F 114 90.417 32.662 53.137 0.50 2.00 C +ATOM 572 CA BCYS F 114 90.187 32.540 53.122 0.50 2.00 C +ATOM 573 C CYS F 114 90.977 31.408 52.490 1.00 2.00 C +ATOM 574 O CYS F 114 90.932 31.249 51.274 1.00 2.00 O +ATOM 575 CB ACYS F 114 89.316 32.352 54.147 0.50 2.00 C +ATOM 576 CB BCYS F 114 88.854 31.912 53.551 0.50 2.00 C +ATOM 577 SG ACYS F 114 87.980 31.416 53.473 0.50 2.00 S +ATOM 578 SG BCYS F 114 87.886 32.818 54.737 0.50 2.00 S +ATOM 579 N PHE F 115 91.595 30.562 53.305 1.00 2.00 N +ATOM 580 CA PHE F 115 92.251 29.387 52.755 1.00 2.00 C +ATOM 581 C PHE F 115 91.193 28.412 52.276 1.00 2.00 C +ATOM 582 O PHE F 115 90.214 28.168 52.958 1.00 2.00 O +ATOM 583 CB PHE F 115 93.130 28.685 53.794 1.00 2.00 C +ATOM 584 CG PHE F 115 94.472 29.317 53.994 1.00 2.00 C +ATOM 585 CD1 PHE F 115 95.435 29.254 53.006 1.00 2.00 C +ATOM 586 CD2 PHE F 115 94.778 29.942 55.183 1.00 2.00 C +ATOM 587 CE1 PHE F 115 96.672 29.806 53.197 1.00 2.00 C +ATOM 588 CE2 PHE F 115 96.022 30.502 55.387 1.00 2.00 C +ATOM 589 CZ PHE F 115 96.968 30.442 54.396 1.00 2.00 C +ATOM 590 N HIS F 116 91.406 27.869 51.093 1.00 2.00 N +ATOM 591 CA HIS F 116 90.639 26.751 50.607 1.00 2.00 C +ATOM 592 C HIS F 116 91.449 25.460 50.813 1.00 2.00 C +ATOM 593 O HIS F 116 90.901 24.417 51.166 1.00 2.00 O +ATOM 594 CB HIS F 116 90.313 26.961 49.132 1.00 2.00 C +ATOM 595 CG HIS F 116 89.642 25.792 48.494 1.00 2.00 C +ATOM 596 ND1 HIS F 116 88.372 25.385 48.839 1.00 2.08 N +ATOM 597 CD2 HIS F 116 90.067 24.936 47.534 1.00 3.25 C +ATOM 598 CE1 HIS F 116 88.043 24.328 48.115 1.00 3.65 C +ATOM 599 NE2 HIS F 116 89.055 24.034 47.317 1.00 2.79 N +ATOM 600 N HIS F 117 92.753 25.541 50.584 1.00 2.00 N +ATOM 601 CA HIS F 117 93.638 24.395 50.715 1.00 2.17 C +ATOM 602 C HIS F 117 95.081 24.890 50.761 1.00 2.00 C +ATOM 603 O HIS F 117 95.417 25.865 50.100 1.00 2.00 O +ATOM 604 CB HIS F 117 93.466 23.468 49.517 1.00 2.59 C +ATOM 605 CG HIS F 117 93.985 22.091 49.747 1.00 4.44 C +ATOM 606 ND1 HIS F 117 95.094 21.595 49.092 1.00 6.43 N +ATOM 607 CD2 HIS F 117 93.544 21.098 50.557 1.00 6.65 C +ATOM 608 CE1 HIS F 117 95.315 20.354 49.495 1.00 7.31 C +ATOM 609 NE2 HIS F 117 94.391 20.030 50.386 1.00 7.35 N +ATOM 610 N ALA F 118 95.912 24.237 51.560 1.00 2.00 N +ATOM 611 CA ALA F 118 97.342 24.503 51.562 1.00 2.00 C +ATOM 612 C ALA F 118 98.046 23.197 51.759 1.00 2.00 C +ATOM 613 O ALA F 118 97.811 22.494 52.740 1.00 2.00 O +ATOM 614 CB ALA F 118 97.733 25.473 52.656 1.00 2.00 C +ATOM 615 N GLU F 119 98.909 22.863 50.824 1.00 2.00 N +ATOM 616 CA GLU F 119 99.640 21.629 50.915 1.00 2.38 C +ATOM 617 C GLU F 119 100.965 21.764 50.230 1.00 2.00 C +ATOM 618 O GLU F 119 101.038 22.217 49.108 1.00 2.00 O +ATOM 619 CB GLU F 119 98.851 20.478 50.291 1.00 2.95 C +ATOM 620 CG GLU F 119 99.561 19.131 50.450 1.00 5.72 C +ATOM 621 CD GLU F 119 98.626 17.954 50.318 1.00 9.34 C +ATOM 622 OE1 GLU F 119 97.877 17.889 49.313 1.00 12.45 O +ATOM 623 OE2 GLU F 119 98.654 17.088 51.216 1.00 12.45 O +ATOM 624 N SER F 120 102.015 21.371 50.929 1.00 2.00 N +ATOM 625 CA SER F 120 103.321 21.245 50.337 1.00 2.00 C +ATOM 626 C SER F 120 103.851 22.642 49.956 1.00 2.00 C +ATOM 627 O SER F 120 104.172 23.432 50.836 1.00 2.00 O +ATOM 628 CB SER F 120 103.240 20.256 49.158 1.00 2.00 C +ATOM 629 OG SER F 120 104.530 19.849 48.745 1.00 3.72 O +ATOM 630 N ASP F 121 103.918 22.964 48.668 1.00 2.00 N +ATOM 631 CA ASP F 121 104.584 24.197 48.221 1.00 2.00 C +ATOM 632 C ASP F 121 103.641 25.226 47.600 1.00 2.00 C +ATOM 633 O ASP F 121 104.088 26.138 46.903 1.00 2.00 O +ATOM 634 CB ASP F 121 105.690 23.865 47.226 1.00 2.00 C +ATOM 635 CG ASP F 121 105.158 23.223 45.949 1.00 2.16 C +ATOM 636 OD1 ASP F 121 103.970 22.823 45.910 1.00 4.86 O +ATOM 637 OD2 ASP F 121 105.937 23.113 44.978 1.00 6.83 O +ATOM 638 N SER F 122 102.344 25.083 47.831 1.00 2.00 N +ATOM 639 CA SER F 122 101.423 26.152 47.484 1.00 2.00 C +ATOM 640 C SER F 122 100.133 26.085 48.256 1.00 2.00 C +ATOM 641 O SER F 122 99.845 25.097 48.913 1.00 2.00 O +ATOM 642 CB SER F 122 101.120 26.174 45.990 1.00 2.00 C +ATOM 643 OG SER F 122 100.331 25.075 45.640 1.00 2.00 O +ATOM 644 N SER F 123 99.381 27.174 48.179 1.00 2.00 N +ATOM 645 CA SER F 123 98.097 27.281 48.835 1.00 2.00 C +ATOM 646 C SER F 123 97.125 27.874 47.842 1.00 2.00 C +ATOM 647 O SER F 123 97.524 28.474 46.839 1.00 2.00 O +ATOM 648 CB SER F 123 98.194 28.160 50.093 1.00 2.00 C +ATOM 649 OG SER F 123 98.548 29.510 49.782 1.00 2.00 O +ATOM 650 N THR F 124 95.848 27.679 48.123 1.00 2.00 N +ATOM 651 CA THR F 124 94.775 28.239 47.319 1.00 2.00 C +ATOM 652 C THR F 124 93.870 29.003 48.254 1.00 2.00 C +ATOM 653 O THR F 124 93.436 28.474 49.264 1.00 2.00 O +ATOM 654 CB THR F 124 93.962 27.131 46.612 1.00 2.00 C +ATOM 655 OG1 THR F 124 94.816 26.425 45.704 1.00 2.00 O +ATOM 656 CG2 THR F 124 92.761 27.729 45.837 1.00 2.00 C +ATOM 657 N LEU F 125 93.618 30.263 47.929 1.00 2.00 N +ATOM 658 CA LEU F 125 92.674 31.065 48.691 1.00 2.00 C +ATOM 659 C LEU F 125 91.386 31.194 47.915 1.00 2.00 C +ATOM 660 O LEU F 125 91.372 31.025 46.702 1.00 2.00 O +ATOM 661 CB LEU F 125 93.225 32.459 48.965 1.00 2.00 C +ATOM 662 CG LEU F 125 94.639 32.582 49.529 1.00 2.00 C +ATOM 663 CD1 LEU F 125 94.900 34.054 49.881 1.00 2.00 C +ATOM 664 CD2 LEU F 125 94.841 31.690 50.719 1.00 2.00 C +ATOM 665 N THR F 126 90.307 31.525 48.608 1.00 2.00 N +ATOM 666 CA THR F 126 89.024 31.671 47.953 1.00 2.00 C +ATOM 667 C THR F 126 88.187 32.792 48.531 1.00 2.00 C +ATOM 668 O THR F 126 88.257 33.077 49.724 1.00 2.00 O +ATOM 669 CB THR F 126 88.220 30.355 47.986 1.00 2.00 C +ATOM 670 OG1 THR F 126 87.055 30.509 47.179 1.00 2.00 O +ATOM 671 CG2 THR F 126 87.822 29.939 49.416 1.00 2.00 C +ATOM 672 N LEU F 127 87.422 33.437 47.652 1.00 2.00 N +ATOM 673 CA LEU F 127 86.433 34.439 48.016 1.00 2.00 C +ATOM 674 C LEU F 127 85.132 34.094 47.310 1.00 2.00 C +ATOM 675 O LEU F 127 85.068 34.088 46.085 1.00 2.00 O +ATOM 676 CB LEU F 127 86.891 35.845 47.586 1.00 2.00 C +ATOM 677 CG LEU F 127 85.901 36.998 47.864 1.00 2.00 C +ATOM 678 CD1 LEU F 127 85.568 37.045 49.356 1.00 2.00 C +ATOM 679 CD2 LEU F 127 86.400 38.385 47.372 1.00 2.00 C +ATOM 680 N TRP F 128 84.089 33.823 48.078 1.00 2.00 N +ATOM 681 CA TRP F 128 82.783 33.569 47.487 1.00 2.00 C +ATOM 682 C TRP F 128 82.087 34.909 47.228 1.00 2.00 C +ATOM 683 O TRP F 128 82.063 35.758 48.103 1.00 2.00 O +ATOM 684 CB TRP F 128 81.969 32.696 48.413 1.00 2.00 C +ATOM 685 CG TRP F 128 80.694 32.201 47.823 1.00 2.00 C +ATOM 686 CD1 TRP F 128 79.451 32.670 48.071 1.00 2.00 C +ATOM 687 CD2 TRP F 128 80.546 31.130 46.895 1.00 2.00 C +ATOM 688 NE1 TRP F 128 78.524 31.954 47.356 1.00 2.00 N +ATOM 689 CE2 TRP F 128 79.173 31.002 46.622 1.00 2.00 C +ATOM 690 CE3 TRP F 128 81.441 30.266 46.263 1.00 2.00 C +ATOM 691 CZ2 TRP F 128 78.670 30.038 45.749 1.00 2.00 C +ATOM 692 CZ3 TRP F 128 80.938 29.307 45.393 1.00 2.00 C +ATOM 693 CH2 TRP F 128 79.569 29.199 45.150 1.00 2.00 C +ATOM 694 N LEU F 129 81.538 35.090 46.030 1.00 3.51 N +ATOM 695 CA LEU F 129 80.939 36.377 45.617 1.00 5.33 C +ATOM 696 C LEU F 129 79.411 36.370 45.502 1.00 7.47 C +ATOM 697 O LEU F 129 78.770 37.393 45.721 1.00 7.40 O +ATOM 698 CB LEU F 129 81.521 36.822 44.280 1.00 4.92 C +ATOM 699 CG LEU F 129 83.033 37.027 44.201 1.00 4.60 C +ATOM 700 CD1 LEU F 129 83.447 37.293 42.766 1.00 4.10 C +ATOM 701 CD2 LEU F 129 83.487 38.154 45.099 1.00 3.09 C +ATOM 702 N ARG F 130 78.836 35.228 45.139 1.00 10.43 N +ATOM 703 CA ARG F 130 77.384 35.102 44.932 1.00 13.02 C +ATOM 704 C ARG F 130 76.590 35.335 46.230 1.00 14.37 C +ATOM 705 O ARG F 130 77.101 35.110 47.326 1.00 14.45 O +ATOM 706 CB ARG F 130 77.059 33.720 44.352 1.00 13.50 C +ATOM 707 CG ARG F 130 75.784 33.661 43.525 1.00 16.25 C +ATOM 708 CD ARG F 130 75.090 32.300 43.660 1.00 20.36 C +ATOM 709 NE ARG F 130 75.669 31.277 42.782 1.00 23.49 N +ATOM 710 CZ ARG F 130 75.511 29.963 42.940 1.00 25.95 C +ATOM 711 NH1 ARG F 130 74.803 29.490 43.966 1.00 26.71 N +ATOM 712 NH2 ARG F 130 76.076 29.111 42.081 1.00 26.69 N +ATOM 713 N GLU F 131 75.339 35.781 46.097 1.00 16.39 N +ATOM 714 CA GLU F 131 74.506 36.164 47.261 1.00 17.69 C +ATOM 715 C GLU F 131 73.557 35.094 47.806 1.00 17.80 C +ATOM 716 O GLU F 131 73.459 33.995 47.269 1.00 18.31 O +ATOM 717 CB GLU F 131 73.706 37.439 46.948 1.00 18.34 C +ATOM 718 CG GLU F 131 74.529 38.738 47.050 1.00 20.55 C +ATOM 719 CD GLU F 131 75.250 38.901 48.402 1.00 23.52 C +ATOM 720 OE1 GLU F 131 75.009 38.087 49.333 1.00 25.81 O +ATOM 721 OE2 GLU F 131 76.062 39.847 48.533 1.00 24.54 O Added: SwiftApps/modFTdock/input/indata/3fxt-5.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3fxt-5.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3fxt-5.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,719 @@ +ATOM 1 N GLN C 42 67.474 38.644 30.823 1.00 26.26 N +ATOM 2 CA GLN C 42 67.484 38.202 29.393 1.00 26.17 C +ATOM 3 C GLN C 42 66.724 39.187 28.483 1.00 25.33 C +ATOM 4 O GLN C 42 66.962 39.215 27.273 1.00 25.85 O +ATOM 5 CB GLN C 42 66.928 36.765 29.254 1.00 26.53 C +ATOM 6 CG GLN C 42 65.385 36.629 29.310 1.00 27.73 C +ATOM 7 CD GLN C 42 64.770 37.145 30.611 1.00 28.76 C +ATOM 8 OE1 GLN C 42 65.361 37.024 31.686 1.00 29.46 O +ATOM 9 NE2 GLN C 42 63.574 37.722 30.513 1.00 29.63 N +ATOM 10 N SER C 43 65.828 39.994 29.057 1.00 23.90 N +ATOM 11 CA SER C 43 65.079 40.982 28.276 1.00 22.82 C +ATOM 12 C SER C 43 65.654 42.396 28.449 1.00 21.37 C +ATOM 13 O SER C 43 65.810 42.884 29.573 1.00 21.81 O +ATOM 14 CB SER C 43 63.593 40.968 28.649 1.00 22.92 C +ATOM 15 OG SER C 43 62.859 41.773 27.729 1.00 23.57 O +ATOM 16 N MET C 44 65.948 43.057 27.333 1.00 19.01 N +ATOM 17 CA MET C 44 66.678 44.318 27.372 1.00 17.17 C +ATOM 18 C MET C 44 65.807 45.488 27.842 1.00 15.74 C +ATOM 19 O MET C 44 64.727 45.736 27.301 1.00 14.98 O +ATOM 20 CB MET C 44 67.263 44.632 25.996 1.00 16.97 C +ATOM 21 CG MET C 44 68.232 45.808 25.983 1.00 16.23 C +ATOM 22 SD MET C 44 68.828 46.210 24.333 1.00 15.11 S +ATOM 23 CE MET C 44 69.529 44.631 23.858 1.00 14.13 C +ATOM 24 N ASP C 45 66.302 46.210 28.838 1.00 13.90 N +ATOM 25 CA ASP C 45 65.624 47.393 29.346 1.00 12.98 C +ATOM 26 C ASP C 45 66.029 48.630 28.532 1.00 11.51 C +ATOM 27 O ASP C 45 67.163 49.078 28.590 1.00 11.29 O +ATOM 28 CB ASP C 45 65.942 47.580 30.831 1.00 13.09 C +ATOM 29 CG ASP C 45 65.361 48.879 31.420 1.00 14.63 C +ATOM 30 OD1 ASP C 45 64.564 49.587 30.747 1.00 15.37 O +ATOM 31 OD2 ASP C 45 65.712 49.182 32.586 1.00 16.15 O +ATOM 32 N LEU C 46 65.087 49.178 27.776 1.00 9.79 N +ATOM 33 CA LEU C 46 65.342 50.372 26.962 1.00 8.55 C +ATOM 34 C LEU C 46 65.227 51.693 27.750 1.00 7.51 C +ATOM 35 O LEU C 46 65.519 52.757 27.211 1.00 7.29 O +ATOM 36 CB LEU C 46 64.409 50.396 25.739 1.00 8.15 C +ATOM 37 CG LEU C 46 64.904 49.636 24.505 1.00 8.31 C +ATOM 38 CD1 LEU C 46 65.109 48.158 24.806 1.00 6.99 C +ATOM 39 CD2 LEU C 46 63.945 49.830 23.339 1.00 5.73 C +ATOM 40 N GLN C 47 64.814 51.619 29.012 1.00 6.63 N +ATOM 41 CA GLN C 47 64.759 52.789 29.887 1.00 6.33 C +ATOM 42 C GLN C 47 63.831 53.838 29.304 1.00 5.49 C +ATOM 43 O GLN C 47 64.225 54.987 29.125 1.00 5.59 O +ATOM 44 CB GLN C 47 66.151 53.399 30.089 1.00 6.71 C +ATOM 45 CG GLN C 47 67.202 52.437 30.620 1.00 8.39 C +ATOM 46 CD GLN C 47 68.534 53.125 30.944 1.00 10.91 C +ATOM 47 OE1 GLN C 47 68.631 54.352 30.936 1.00 14.27 O +ATOM 48 NE2 GLN C 47 69.556 52.330 31.240 1.00 10.39 N +ATOM 49 N GLY C 48 62.610 53.423 28.987 1.00 4.56 N +ATOM 50 CA GLY C 48 61.615 54.308 28.391 1.00 3.95 C +ATOM 51 C GLY C 48 61.058 55.286 29.412 1.00 3.21 C +ATOM 52 O GLY C 48 60.737 54.892 30.525 1.00 2.82 O +ATOM 53 N GLU C 49 60.983 56.563 29.038 1.00 2.53 N +ATOM 54 CA GLU C 49 60.396 57.589 29.884 1.00 2.02 C +ATOM 55 C GLU C 49 58.971 57.877 29.402 1.00 2.00 C +ATOM 56 O GLU C 49 58.750 58.173 28.221 1.00 2.00 O +ATOM 57 CB GLU C 49 61.219 58.871 29.862 1.00 2.00 C +ATOM 58 CG GLU C 49 60.665 59.989 30.761 1.00 2.63 C +ATOM 59 CD GLU C 49 61.538 61.244 30.762 1.00 4.55 C +ATOM 60 OE1 GLU C 49 61.372 62.117 31.646 1.00 4.71 O +ATOM 61 OE2 GLU C 49 62.392 61.366 29.869 1.00 5.76 O +ATOM 62 N LEU C 50 58.024 57.810 30.336 1.00 2.00 N +ATOM 63 CA LEU C 50 56.602 57.959 30.035 1.00 2.05 C +ATOM 64 C LEU C 50 56.217 59.445 30.113 1.00 2.00 C +ATOM 65 O LEU C 50 56.571 60.127 31.067 1.00 2.00 O +ATOM 66 CB LEU C 50 55.793 57.084 31.007 1.00 2.00 C +ATOM 67 CG LEU C 50 54.271 57.080 30.972 1.00 5.08 C +ATOM 68 CD1 LEU C 50 53.708 56.786 29.569 1.00 5.97 C +ATOM 69 CD2 LEU C 50 53.739 56.065 32.018 1.00 5.80 C +ATOM 70 N ASP C 51 55.549 59.958 29.082 1.00 2.00 N +ATOM 71 CA ASP C 51 55.106 61.363 29.085 1.00 2.07 C +ATOM 72 C ASP C 51 53.615 61.481 29.403 1.00 2.83 C +ATOM 73 O ASP C 51 52.904 60.476 29.453 1.00 2.54 O +ATOM 74 CB ASP C 51 55.478 62.098 27.776 1.00 2.00 C +ATOM 75 CG ASP C 51 54.796 61.519 26.535 1.00 2.00 C +ATOM 76 OD1 ASP C 51 53.604 61.147 26.570 1.00 2.00 O +ATOM 77 OD2 ASP C 51 55.468 61.458 25.494 1.00 4.15 O +ATOM 78 N ARG C 52 53.151 62.714 29.604 1.00 3.84 N +ATOM 79 CA ARG C 52 51.750 62.976 29.949 1.00 4.80 C +ATOM 80 C ARG C 52 50.738 62.499 28.896 1.00 4.92 C +ATOM 81 O ARG C 52 49.566 62.285 29.227 1.00 4.95 O +ATOM 82 CB ARG C 52 51.534 64.467 30.213 1.00 5.35 C +ATOM 83 CG ARG C 52 51.579 65.335 28.962 1.00 7.82 C +ATOM 84 CD ARG C 52 51.738 66.810 29.296 1.00 11.08 C +ATOM 85 NE ARG C 52 52.981 67.053 30.027 1.00 13.62 N +ATOM 86 CZ ARG C 52 53.079 67.678 31.200 1.00 15.65 C +ATOM 87 NH1 ARG C 52 51.996 68.173 31.809 1.00 16.64 N +ATOM 88 NH2 ARG C 52 54.279 67.823 31.760 1.00 16.01 N +ATOM 89 N PHE C 53 51.174 62.337 27.643 1.00 4.70 N +ATOM 90 CA PHE C 53 50.264 61.959 26.547 1.00 4.86 C +ATOM 91 C PHE C 53 50.208 60.448 26.347 1.00 4.20 C +ATOM 92 O PHE C 53 49.616 59.954 25.384 1.00 4.22 O +ATOM 93 CB PHE C 53 50.682 62.628 25.238 1.00 5.23 C +ATOM 94 CG PHE C 53 50.836 64.126 25.340 1.00 7.57 C +ATOM 95 CD1 PHE C 53 49.720 64.951 25.415 1.00 10.21 C +ATOM 96 CD2 PHE C 53 52.099 64.710 25.358 1.00 9.34 C +ATOM 97 CE1 PHE C 53 49.862 66.340 25.506 1.00 10.96 C +ATOM 98 CE2 PHE C 53 52.249 66.092 25.454 1.00 10.06 C +ATOM 99 CZ PHE C 53 51.131 66.906 25.526 1.00 10.37 C +ATOM 100 N GLY C 54 50.828 59.716 27.259 1.00 3.29 N +ATOM 101 CA GLY C 54 50.897 58.271 27.149 1.00 2.95 C +ATOM 102 C GLY C 54 52.005 57.783 26.236 1.00 2.56 C +ATOM 103 O GLY C 54 52.116 56.579 25.986 1.00 2.61 O +ATOM 104 N GLY C 55 52.827 58.702 25.736 1.00 2.00 N +ATOM 105 CA GLY C 55 53.994 58.321 24.935 1.00 2.00 C +ATOM 106 C GLY C 55 55.186 57.847 25.766 1.00 2.00 C +ATOM 107 O GLY C 55 55.305 58.182 26.948 1.00 2.00 O +ATOM 108 N ILE C 56 56.061 57.064 25.132 1.00 2.00 N +ATOM 109 CA ILE C 56 57.307 56.570 25.744 1.00 2.00 C +ATOM 110 C ILE C 56 58.536 57.081 24.973 1.00 2.00 C +ATOM 111 O ILE C 56 58.605 56.908 23.752 1.00 2.00 O +ATOM 112 CB ILE C 56 57.381 55.033 25.696 1.00 2.00 C +ATOM 113 CG1 ILE C 56 56.151 54.400 26.350 1.00 2.74 C +ATOM 114 CG2 ILE C 56 58.628 54.541 26.402 1.00 2.10 C +ATOM 115 CD1 ILE C 56 56.120 54.528 27.858 1.00 3.17 C +ATOM 116 N SER C 57 59.509 57.668 25.673 1.00 2.00 N +ATOM 117 CA SER C 57 60.730 58.165 25.029 1.00 2.00 C +ATOM 118 C SER C 57 61.961 57.330 25.383 1.00 2.00 C +ATOM 119 O SER C 57 62.170 56.999 26.542 1.00 2.00 O +ATOM 120 CB SER C 57 60.975 59.611 25.421 1.00 2.00 C +ATOM 121 OG SER C 57 59.988 60.425 24.841 1.00 2.00 O +ATOM 122 N VAL C 58 62.751 56.983 24.364 1.00 2.00 N +ATOM 123 CA VAL C 58 63.988 56.223 24.527 1.00 2.00 C +ATOM 124 C VAL C 58 65.131 57.067 24.000 1.00 2.00 C +ATOM 125 O VAL C 58 65.071 57.543 22.871 1.00 2.00 O +ATOM 126 CB VAL C 58 63.931 54.890 23.751 1.00 2.00 C +ATOM 127 CG1 VAL C 58 65.275 54.158 23.793 1.00 2.00 C +ATOM 128 CG2 VAL C 58 62.831 54.002 24.302 1.00 2.00 C +ATOM 129 N ARG C 59 66.145 57.294 24.832 1.00 2.00 N +ATOM 130 CA ARG C 59 67.364 57.977 24.406 1.00 2.00 C +ATOM 131 C ARG C 59 68.489 56.964 24.304 1.00 2.00 C +ATOM 132 O ARG C 59 68.798 56.263 25.271 1.00 2.00 O +ATOM 133 CB ARG C 59 67.779 59.051 25.393 1.00 2.00 C +ATOM 134 CG ARG C 59 66.684 60.077 25.683 1.00 2.00 C +ATOM 135 CD ARG C 59 67.244 61.423 26.121 1.00 2.00 C +ATOM 136 NE ARG C 59 66.497 62.421 25.371 1.00 6.80 N +ATOM 137 CZ ARG C 59 67.013 63.335 24.563 1.00 6.77 C +ATOM 138 NH1 ARG C 59 68.324 63.486 24.424 1.00 5.57 N +ATOM 139 NH2 ARG C 59 66.181 64.136 23.918 1.00 8.88 N +ATOM 140 N LEU C 60 69.123 56.901 23.142 1.00 2.00 N +ATOM 141 CA LEU C 60 70.162 55.917 22.932 1.00 2.00 C +ATOM 142 C LEU C 60 71.396 56.246 23.760 1.00 2.00 C +ATOM 143 O LEU C 60 72.126 55.330 24.167 1.00 2.00 O +ATOM 144 CB LEU C 60 70.493 55.767 21.447 1.00 2.00 C +ATOM 145 CG LEU C 60 69.691 54.644 20.758 1.00 2.00 C +ATOM 146 CD1 LEU C 60 70.087 53.294 21.308 1.00 2.00 C +ATOM 147 CD2 LEU C 60 68.177 54.840 20.872 1.00 2.00 C +ATOM 148 N ALA C 61 71.615 57.529 24.044 1.00 2.00 N +ATOM 149 CA ALA C 61 72.754 57.920 24.893 1.00 2.00 C +ATOM 150 C ALA C 61 72.568 57.503 26.352 1.00 2.00 C +ATOM 151 O ALA C 61 73.558 57.314 27.052 1.00 2.00 O +ATOM 152 CB ALA C 61 73.052 59.400 24.798 1.00 2.00 C +ATOM 153 N ARG C 62 71.321 57.333 26.799 1.00 2.54 N +ATOM 154 CA ARG C 62 71.063 56.732 28.109 1.00 3.64 C +ATOM 155 C ARG C 62 71.230 55.237 28.026 1.00 4.28 C +ATOM 156 O ARG C 62 71.750 54.619 28.928 1.00 4.21 O +ATOM 157 CB ARG C 62 69.635 56.986 28.616 1.00 3.68 C +ATOM 158 CG ARG C 62 69.387 58.325 29.248 1.00 5.26 C +ATOM 159 CD ARG C 62 68.119 58.288 30.113 1.00 6.67 C +ATOM 160 NE ARG C 62 66.964 57.792 29.359 1.00 6.97 N +ATOM 161 CZ ARG C 62 66.017 58.557 28.818 1.00 8.15 C +ATOM 162 NH1 ARG C 62 66.055 59.884 28.958 1.00 7.60 N +ATOM 163 NH2 ARG C 62 65.002 57.987 28.150 1.00 7.78 N +ATOM 164 N LEU C 63 70.718 54.646 26.961 1.00 5.61 N +ATOM 165 CA LEU C 63 70.728 53.192 26.836 1.00 6.49 C +ATOM 166 C LEU C 63 72.123 52.623 26.620 1.00 6.60 C +ATOM 167 O LEU C 63 72.394 51.482 26.992 1.00 7.19 O +ATOM 168 CB LEU C 63 69.829 52.772 25.675 1.00 7.10 C +ATOM 169 CG LEU C 63 69.648 51.271 25.463 1.00 7.85 C +ATOM 170 CD1 LEU C 63 69.316 50.592 26.793 1.00 8.62 C +ATOM 171 CD2 LEU C 63 68.555 51.061 24.432 1.00 9.56 C +ATOM 172 N ASP C 64 73.001 53.425 26.026 1.00 6.76 N +ATOM 173 CA ASP C 64 74.296 52.957 25.524 1.00 6.50 C +ATOM 174 C ASP C 64 75.275 54.119 25.498 1.00 6.09 C +ATOM 175 O ASP C 64 75.727 54.537 24.434 1.00 6.33 O +ATOM 176 CB ASP C 64 74.111 52.367 24.115 1.00 6.59 C +ATOM 177 CG ASP C 64 75.450 51.963 23.431 1.00 8.98 C +ATOM 178 OD1 ASP C 64 75.512 52.011 22.171 1.00 8.81 O +ATOM 179 OD2 ASP C 64 76.437 51.603 24.135 1.00 9.28 O +ATOM 180 N ALA C 65 75.598 54.646 26.675 1.00 5.88 N +ATOM 181 CA ALA C 65 76.466 55.821 26.792 1.00 5.63 C +ATOM 182 C ALA C 65 77.871 55.555 26.275 1.00 5.51 C +ATOM 183 O ALA C 65 78.587 56.475 25.883 1.00 5.27 O +ATOM 184 CB ALA C 65 76.529 56.293 28.241 1.00 5.31 C +ATOM 185 N LEU C 66 78.277 54.295 26.298 1.00 5.69 N +ATOM 186 CA LEU C 66 79.625 53.939 25.876 1.00 5.81 C +ATOM 187 C LEU C 66 79.720 53.582 24.388 1.00 5.38 C +ATOM 188 O LEU C 66 80.808 53.340 23.885 1.00 5.32 O +ATOM 189 CB LEU C 66 80.164 52.815 26.771 1.00 6.00 C +ATOM 190 CG LEU C 66 80.307 53.267 28.238 1.00 6.48 C +ATOM 191 CD1 LEU C 66 80.527 52.096 29.195 1.00 5.71 C +ATOM 192 CD2 LEU C 66 81.435 54.295 28.371 1.00 6.25 C +ATOM 193 N ASP C 67 78.583 53.571 23.698 1.00 5.22 N +ATOM 194 CA ASP C 67 78.522 53.279 22.262 1.00 5.03 C +ATOM 195 C ASP C 67 79.101 51.893 21.964 1.00 4.59 C +ATOM 196 O ASP C 67 79.973 51.734 21.109 1.00 4.42 O +ATOM 197 CB ASP C 67 79.243 54.359 21.448 1.00 5.08 C +ATOM 198 CG ASP C 67 78.853 54.345 19.975 1.00 6.43 C +ATOM 199 OD1 ASP C 67 77.903 53.626 19.590 1.00 8.05 O +ATOM 200 OD2 ASP C 67 79.499 55.065 19.196 1.00 8.06 O +ATOM 201 N ARG C 68 78.578 50.909 22.685 1.00 3.93 N +ATOM 202 CA ARG C 68 79.034 49.536 22.627 1.00 3.72 C +ATOM 203 C ARG C 68 77.943 48.567 22.221 1.00 3.16 C +ATOM 204 O ARG C 68 78.195 47.373 22.117 1.00 2.96 O +ATOM 205 CB ARG C 68 79.575 49.127 23.989 1.00 3.81 C +ATOM 206 CG ARG C 68 80.912 49.723 24.275 1.00 4.66 C +ATOM 207 CD ARG C 68 81.388 49.384 25.663 1.00 5.45 C +ATOM 208 NE ARG C 68 82.562 50.178 26.015 1.00 6.63 N +ATOM 209 CZ ARG C 68 83.216 50.077 27.161 1.00 7.54 C +ATOM 210 NH1 ARG C 68 82.821 49.205 28.084 1.00 7.96 N +ATOM 211 NH2 ARG C 68 84.272 50.847 27.382 1.00 8.66 N +ATOM 212 N LEU C 69 76.744 49.075 21.968 1.00 2.92 N +ATOM 213 CA LEU C 69 75.593 48.209 21.733 1.00 2.82 C +ATOM 214 C LEU C 69 75.462 47.861 20.255 1.00 2.91 C +ATOM 215 O LEU C 69 75.565 48.720 19.376 1.00 2.93 O +ATOM 216 CB LEU C 69 74.301 48.850 22.246 1.00 2.65 C +ATOM 217 CG LEU C 69 73.021 48.044 22.023 1.00 2.86 C +ATOM 218 CD1 LEU C 69 73.072 46.744 22.793 1.00 2.17 C +ATOM 219 CD2 LEU C 69 71.808 48.848 22.426 1.00 2.00 C +ATOM 220 N ASP C 70 75.226 46.579 20.011 1.00 2.90 N +ATOM 221 CA ASP C 70 75.061 46.039 18.678 1.00 2.69 C +ATOM 222 C ASP C 70 73.661 46.324 18.140 1.00 2.46 C +ATOM 223 O ASP C 70 72.667 46.227 18.868 1.00 2.46 O +ATOM 224 CB ASP C 70 75.314 44.535 18.716 1.00 3.13 C +ATOM 225 CG ASP C 70 75.058 43.871 17.385 1.00 3.76 C +ATOM 226 OD1 ASP C 70 75.956 43.929 16.503 1.00 5.72 O +ATOM 227 OD2 ASP C 70 73.957 43.300 17.233 1.00 3.51 O +ATOM 228 N ALA C 71 73.605 46.662 16.854 1.00 2.00 N +ATOM 229 CA ALA C 71 72.379 47.094 16.201 1.00 2.00 C +ATOM 230 C ALA C 71 71.305 46.012 16.195 1.00 2.00 C +ATOM 231 O ALA C 71 70.124 46.293 16.429 1.00 2.00 O +ATOM 232 CB ALA C 71 72.685 47.542 14.758 1.00 2.00 C +ATOM 233 N ALA C 72 71.711 44.786 15.898 1.00 2.00 N +ATOM 234 CA ALA C 72 70.790 43.665 15.846 1.00 2.00 C +ATOM 235 C ALA C 72 70.227 43.370 17.244 1.00 2.00 C +ATOM 236 O ALA C 72 69.063 43.006 17.391 1.00 2.00 O +ATOM 237 CB ALA C 72 71.492 42.421 15.264 1.00 2.00 C +ATOM 238 N ALA C 73 71.067 43.516 18.261 1.00 2.00 N +ATOM 239 CA ALA C 73 70.634 43.340 19.644 1.00 2.00 C +ATOM 240 C ALA C 73 69.658 44.455 20.031 1.00 2.00 C +ATOM 241 O ALA C 73 68.641 44.211 20.674 1.00 2.02 O +ATOM 242 CB ALA C 73 71.833 43.318 20.580 1.00 2.00 C +ATOM 243 N PHE C 74 69.955 45.682 19.621 1.00 2.73 N +ATOM 244 CA PHE C 74 69.011 46.771 19.811 1.00 3.16 C +ATOM 245 C PHE C 74 67.679 46.501 19.132 1.00 3.49 C +ATOM 246 O PHE C 74 66.642 46.783 19.713 1.00 3.73 O +ATOM 247 CB PHE C 74 69.564 48.106 19.319 1.00 3.43 C +ATOM 248 CG PHE C 74 68.580 49.231 19.443 1.00 3.77 C +ATOM 249 CD1 PHE C 74 68.171 49.669 20.682 1.00 5.04 C +ATOM 250 CD2 PHE C 74 68.019 49.813 18.322 1.00 4.88 C +ATOM 251 CE1 PHE C 74 67.236 50.699 20.800 1.00 3.95 C +ATOM 252 CE2 PHE C 74 67.103 50.833 18.447 1.00 4.64 C +ATOM 253 CZ PHE C 74 66.718 51.271 19.685 1.00 4.17 C +ATOM 254 N GLN C 75 67.694 45.952 17.922 1.00 4.01 N +ATOM 255 CA GLN C 75 66.434 45.661 17.220 1.00 4.70 C +ATOM 256 C GLN C 75 65.570 44.672 17.981 1.00 4.41 C +ATOM 257 O GLN C 75 64.367 44.861 18.081 1.00 4.01 O +ATOM 258 CB GLN C 75 66.650 45.135 15.786 1.00 5.19 C +ATOM 259 CG GLN C 75 65.332 44.620 15.140 1.00 7.33 C +ATOM 260 CD GLN C 75 65.405 44.447 13.640 1.00 11.35 C +ATOM 261 OE1 GLN C 75 66.412 43.990 13.108 1.00 14.55 O +ATOM 262 NE2 GLN C 75 64.324 44.805 12.944 1.00 13.46 N +ATOM 263 N LYS C 76 66.179 43.610 18.494 1.00 4.91 N +ATOM 264 CA LYS C 76 65.426 42.607 19.240 1.00 5.30 C +ATOM 265 C LYS C 76 64.819 43.220 20.490 1.00 4.93 C +ATOM 266 O LYS C 76 63.642 43.027 20.757 1.00 4.45 O +ATOM 267 CB LYS C 76 66.290 41.396 19.596 1.00 5.47 C +ATOM 268 CG LYS C 76 66.428 40.418 18.441 1.00 8.04 C +ATOM 269 CD LYS C 76 67.001 39.058 18.859 1.00 11.13 C +ATOM 270 CE LYS C 76 67.549 38.297 17.647 1.00 12.87 C +ATOM 271 NZ LYS C 76 68.792 38.946 17.067 1.00 14.10 N +ATOM 272 N GLY C 77 65.627 43.965 21.241 1.00 4.87 N +ATOM 273 CA GLY C 77 65.140 44.672 22.421 1.00 5.08 C +ATOM 274 C GLY C 77 64.003 45.626 22.080 1.00 4.88 C +ATOM 275 O GLY C 77 63.006 45.677 22.776 1.00 4.54 O +ATOM 276 N LEU C 78 64.151 46.354 20.977 1.00 5.27 N +ATOM 277 CA LEU C 78 63.147 47.342 20.558 1.00 5.62 C +ATOM 278 C LEU C 78 61.863 46.651 20.108 1.00 5.81 C +ATOM 279 O LEU C 78 60.770 47.081 20.463 1.00 5.61 O +ATOM 280 CB LEU C 78 63.697 48.255 19.457 1.00 5.20 C +ATOM 281 CG LEU C 78 62.778 49.356 18.911 1.00 5.65 C +ATOM 282 CD1 LEU C 78 62.355 50.303 20.027 1.00 3.78 C +ATOM 283 CD2 LEU C 78 63.450 50.128 17.742 1.00 4.53 C +ATOM 284 N GLN C 79 62.005 45.570 19.350 1.00 6.19 N +ATOM 285 CA GLN C 79 60.849 44.774 18.944 1.00 6.74 C +ATOM 286 C GLN C 79 60.059 44.333 20.172 1.00 6.54 C +ATOM 287 O GLN C 79 58.844 44.494 20.210 1.00 6.34 O +ATOM 288 CB GLN C 79 61.275 43.558 18.109 1.00 6.93 C +ATOM 289 CG GLN C 79 60.154 42.570 17.812 1.00 8.68 C +ATOM 290 CD GLN C 79 60.401 41.765 16.546 1.00 11.81 C +ATOM 291 OE1 GLN C 79 60.163 42.248 15.440 1.00 14.23 O +ATOM 292 NE2 GLN C 79 60.869 40.525 16.703 1.00 12.66 N +ATOM 293 N ALA C 80 60.761 43.808 21.175 1.00 6.31 N +ATOM 294 CA ALA C 80 60.123 43.375 22.426 1.00 6.71 C +ATOM 295 C ALA C 80 59.485 44.539 23.200 1.00 6.95 C +ATOM 296 O ALA C 80 58.357 44.426 23.674 1.00 6.69 O +ATOM 297 CB ALA C 80 61.121 42.637 23.309 1.00 6.14 C +ATOM 298 N ALA C 81 60.213 45.646 23.320 1.00 7.62 N +ATOM 299 CA ALA C 81 59.722 46.844 24.017 1.00 8.48 C +ATOM 300 C ALA C 81 58.463 47.417 23.371 1.00 8.99 C +ATOM 301 O ALA C 81 57.543 47.808 24.069 1.00 9.61 O +ATOM 302 CB ALA C 81 60.811 47.919 24.087 1.00 8.41 C +ATOM 303 N VAL C 82 58.424 47.452 22.045 1.00 9.48 N +ATOM 304 CA VAL C 82 57.265 47.960 21.328 1.00 10.13 C +ATOM 305 C VAL C 82 56.013 47.099 21.564 1.00 10.88 C +ATOM 306 O VAL C 82 54.924 47.633 21.801 1.00 10.34 O +ATOM 307 CB VAL C 82 57.541 48.059 19.822 1.00 10.22 C +ATOM 308 CG1 VAL C 82 56.241 48.271 19.037 1.00 9.46 C +ATOM 309 CG2 VAL C 82 58.539 49.167 19.552 1.00 10.54 C +ATOM 310 N GLN C 83 56.174 45.780 21.505 1.00 11.39 N +ATOM 311 CA GLN C 83 55.058 44.881 21.759 1.00 12.29 C +ATOM 312 C GLN C 83 54.505 45.115 23.166 1.00 12.19 C +ATOM 313 O GLN C 83 53.305 45.297 23.345 1.00 12.20 O +ATOM 314 CB GLN C 83 55.474 43.418 21.593 1.00 12.69 C +ATOM 315 CG GLN C 83 54.318 42.527 21.158 1.00 14.70 C +ATOM 316 CD GLN C 83 54.421 41.111 21.695 1.00 16.81 C +ATOM 317 OE1 GLN C 83 55.446 40.445 21.528 1.00 18.34 O +ATOM 318 NE2 GLN C 83 53.348 40.638 22.334 1.00 18.02 N +ATOM 319 N GLN C 84 55.395 45.132 24.154 1.00 12.25 N +ATOM 320 CA GLN C 84 55.003 45.362 25.546 1.00 12.20 C +ATOM 321 C GLN C 84 54.314 46.714 25.699 1.00 11.82 C +ATOM 322 O GLN C 84 53.286 46.816 26.360 1.00 11.84 O +ATOM 323 CB GLN C 84 56.210 45.253 26.498 1.00 12.28 C +ATOM 324 CG GLN C 84 55.942 45.625 27.991 1.00 13.20 C +ATOM 325 CD GLN C 84 54.865 44.759 28.686 1.00 14.49 C +ATOM 326 OE1 GLN C 84 54.343 43.798 28.113 1.00 15.02 O +ATOM 327 NE2 GLN C 84 54.534 45.112 29.931 1.00 14.12 N +ATOM 328 N TRP C 85 54.875 47.747 25.082 1.00 11.40 N +ATOM 329 CA TRP C 85 54.300 49.078 25.201 1.00 11.20 C +ATOM 330 C TRP C 85 52.970 49.206 24.464 1.00 11.52 C +ATOM 331 O TRP C 85 52.093 49.928 24.916 1.00 11.55 O +ATOM 332 CB TRP C 85 55.278 50.145 24.725 1.00 10.77 C +ATOM 333 CG TRP C 85 56.460 50.321 25.624 1.00 9.70 C +ATOM 334 CD1 TRP C 85 56.494 50.173 26.977 1.00 9.34 C +ATOM 335 CD2 TRP C 85 57.772 50.713 25.232 1.00 6.84 C +ATOM 336 NE1 TRP C 85 57.752 50.437 27.454 1.00 8.65 N +ATOM 337 CE2 TRP C 85 58.559 50.769 26.401 1.00 7.31 C +ATOM 338 CE3 TRP C 85 58.362 51.014 24.002 1.00 6.35 C +ATOM 339 CZ2 TRP C 85 59.908 51.121 26.381 1.00 5.90 C +ATOM 340 CZ3 TRP C 85 59.698 51.362 23.975 1.00 5.83 C +ATOM 341 CH2 TRP C 85 60.461 51.410 25.161 1.00 6.09 C +ATOM 342 N ARG C 86 52.816 48.510 23.340 1.00 12.08 N +ATOM 343 CA ARG C 86 51.526 48.497 22.645 1.00 12.72 C +ATOM 344 C ARG C 86 50.487 47.870 23.573 1.00 12.50 C +ATOM 345 O ARG C 86 49.440 48.459 23.820 1.00 12.41 O +ATOM 346 CB ARG C 86 51.585 47.762 21.293 1.00 12.96 C +ATOM 347 CG ARG C 86 50.313 47.979 20.428 1.00 14.39 C +ATOM 348 CD ARG C 86 50.331 47.229 19.084 1.00 15.15 C +ATOM 349 NE ARG C 86 51.098 47.924 18.044 1.00 15.89 N +ATOM 350 CZ ARG C 86 52.359 47.653 17.705 1.00 16.24 C +ATOM 351 NH1 ARG C 86 53.036 46.686 18.319 1.00 16.97 N +ATOM 352 NH2 ARG C 86 52.947 48.349 16.732 1.00 15.57 N +ATOM 353 N SER C 87 50.821 46.713 24.138 1.00 12.33 N +ATOM 354 CA SER C 87 49.912 46.006 25.033 1.00 12.15 C +ATOM 355 C SER C 87 49.650 46.791 26.318 1.00 11.69 C +ATOM 356 O SER C 87 48.631 46.594 26.959 1.00 11.52 O +ATOM 357 CB SER C 87 50.438 44.600 25.360 1.00 12.31 C +ATOM 358 OG SER C 87 51.325 44.622 26.467 1.00 12.75 O +ATOM 359 N GLU C 88 50.563 47.683 26.686 1.00 11.22 N +ATOM 360 CA GLU C 88 50.354 48.559 27.840 1.00 10.82 C +ATOM 361 C GLU C 88 49.405 49.712 27.501 1.00 10.15 C +ATOM 362 O GLU C 88 49.005 50.471 28.378 1.00 9.85 O +ATOM 363 CB GLU C 88 51.683 49.128 28.348 1.00 11.13 C +ATOM 364 CG GLU C 88 52.476 48.202 29.265 1.00 11.88 C +ATOM 365 CD GLU C 88 53.838 48.780 29.655 1.00 13.43 C +ATOM 366 OE1 GLU C 88 54.061 50.003 29.475 1.00 13.70 O +ATOM 367 OE2 GLU C 88 54.692 48.005 30.142 1.00 15.06 O +ATOM 368 N GLY C 89 49.051 49.846 26.230 1.00 9.34 N +ATOM 369 CA GLY C 89 48.166 50.918 25.806 1.00 8.80 C +ATOM 370 C GLY C 89 48.847 52.269 25.693 1.00 8.21 C +ATOM 371 O GLY C 89 48.188 53.298 25.750 1.00 8.24 O +ATOM 372 N ARG C 90 50.165 52.275 25.513 1.00 7.47 N +ATOM 373 CA ARG C 90 50.896 53.525 25.272 1.00 6.82 C +ATOM 374 C ARG C 90 50.569 54.066 23.871 1.00 6.17 C +ATOM 375 O ARG C 90 50.223 53.312 22.954 1.00 5.82 O +ATOM 376 CB ARG C 90 52.415 53.327 25.407 1.00 7.08 C +ATOM 377 CG ARG C 90 52.885 52.621 26.673 1.00 6.77 C +ATOM 378 CD ARG C 90 52.465 53.336 27.938 1.00 7.78 C +ATOM 379 NE ARG C 90 52.901 52.590 29.118 1.00 8.66 N +ATOM 380 CZ ARG C 90 52.468 52.807 30.355 1.00 9.02 C +ATOM 381 NH1 ARG C 90 51.569 53.756 30.599 1.00 10.03 N +ATOM 382 NH2 ARG C 90 52.932 52.067 31.352 1.00 8.97 N +ATOM 383 N THR C 91 50.687 55.376 23.703 1.00 5.28 N +ATOM 384 CA THR C 91 50.196 56.021 22.494 1.00 4.48 C +ATOM 385 C THR C 91 51.239 56.106 21.369 1.00 3.71 C +ATOM 386 O THR C 91 50.898 55.975 20.199 1.00 3.05 O +ATOM 387 CB THR C 91 49.673 57.420 22.812 1.00 4.70 C +ATOM 388 OG1 THR C 91 50.709 58.179 23.434 1.00 4.63 O +ATOM 389 CG2 THR C 91 48.458 57.338 23.745 1.00 5.00 C +ATOM 390 N ALA C 92 52.499 56.327 21.735 1.00 2.65 N +ATOM 391 CA ALA C 92 53.580 56.479 20.768 1.00 2.00 C +ATOM 392 C ALA C 92 54.940 56.152 21.385 1.00 2.00 C +ATOM 393 O ALA C 92 55.127 56.231 22.600 1.00 2.00 O +ATOM 394 CB ALA C 92 53.592 57.888 20.214 1.00 2.00 C +ATOM 395 N VAL C 93 55.885 55.767 20.538 1.00 2.00 N +ATOM 396 CA VAL C 93 57.255 55.600 20.965 1.00 2.00 C +ATOM 397 C VAL C 93 58.144 56.626 20.256 1.00 2.00 C +ATOM 398 O VAL C 93 57.990 56.864 19.048 1.00 2.00 O +ATOM 399 CB VAL C 93 57.750 54.171 20.713 1.00 2.00 C +ATOM 400 CG1 VAL C 93 59.171 54.003 21.255 1.00 2.00 C +ATOM 401 CG2 VAL C 93 56.783 53.158 21.366 1.00 2.00 C +ATOM 402 N TRP C 94 59.038 57.248 21.025 1.00 2.00 N +ATOM 403 CA TRP C 94 60.001 58.206 20.503 1.00 2.00 C +ATOM 404 C TRP C 94 61.410 57.671 20.742 1.00 2.00 C +ATOM 405 O TRP C 94 61.690 57.102 21.789 1.00 2.00 O +ATOM 406 CB TRP C 94 59.852 59.571 21.170 1.00 2.00 C +ATOM 407 CG TRP C 94 58.508 60.180 20.986 1.00 2.00 C +ATOM 408 CD1 TRP C 94 57.403 59.935 21.734 1.00 2.00 C +ATOM 409 CD2 TRP C 94 58.120 61.156 20.010 1.00 2.00 C +ATOM 410 NE1 TRP C 94 56.347 60.679 21.287 1.00 2.00 N +ATOM 411 CE2 TRP C 94 56.755 61.440 20.227 1.00 2.00 C +ATOM 412 CE3 TRP C 94 58.791 61.815 18.971 1.00 2.00 C +ATOM 413 CZ2 TRP C 94 56.033 62.356 19.441 1.00 2.00 C +ATOM 414 CZ3 TRP C 94 58.076 62.727 18.186 1.00 2.11 C +ATOM 415 CH2 TRP C 94 56.710 62.989 18.431 1.00 2.00 C +ATOM 416 N LEU C 95 62.274 57.831 19.744 1.00 2.00 N +ATOM 417 CA LEU C 95 63.660 57.393 19.825 1.00 2.00 C +ATOM 418 C LEU C 95 64.581 58.551 19.506 1.00 2.00 C +ATOM 419 O LEU C 95 64.529 59.103 18.400 1.00 2.00 O +ATOM 420 CB LEU C 95 63.962 56.301 18.805 1.00 2.00 C +ATOM 421 CG LEU C 95 63.174 54.992 18.805 1.00 2.00 C +ATOM 422 CD1 LEU C 95 63.775 54.076 17.738 1.00 2.00 C +ATOM 423 CD2 LEU C 95 63.156 54.303 20.159 1.00 2.00 C +ATOM 424 N HIS C 96 65.437 58.911 20.447 1.00 2.00 N +ATOM 425 CA AHIS C 96 66.450 59.939 20.213 0.50 2.00 C +ATOM 426 CA BHIS C 96 66.419 59.936 20.188 0.50 2.00 C +ATOM 427 C HIS C 96 67.785 59.263 19.982 1.00 2.00 C +ATOM 428 O HIS C 96 68.293 58.562 20.863 1.00 2.00 O +ATOM 429 CB AHIS C 96 66.566 60.907 21.391 0.50 2.00 C +ATOM 430 CB BHIS C 96 66.368 60.974 21.312 0.50 2.00 C +ATOM 431 CG AHIS C 96 67.619 61.957 21.198 0.50 2.00 C +ATOM 432 CG BHIS C 96 64.980 61.490 21.579 0.50 2.00 C +ATOM 433 ND1AHIS C 96 68.950 61.739 21.495 0.50 2.00 N +ATOM 434 ND1BHIS C 96 64.495 62.661 21.028 0.50 2.00 N +ATOM 435 CD2AHIS C 96 67.543 63.218 20.709 0.50 2.00 C +ATOM 436 CD2BHIS C 96 63.965 60.976 22.318 0.50 2.00 C +ATOM 437 CE1AHIS C 96 69.643 62.825 21.205 0.50 2.00 C +ATOM 438 CE1BHIS C 96 63.249 62.851 21.426 0.50 2.00 C +ATOM 439 NE2AHIS C 96 68.813 63.738 20.729 0.50 2.00 N +ATOM 440 NE2BHIS C 96 62.903 61.841 22.204 0.50 2.00 N +ATOM 441 N ILE C 97 68.350 59.459 18.794 1.00 2.00 N +ATOM 442 CA ILE C 97 69.572 58.783 18.386 1.00 2.00 C +ATOM 443 C ILE C 97 70.692 59.768 18.001 1.00 2.00 C +ATOM 444 O ILE C 97 70.606 60.464 16.991 1.00 2.00 O +ATOM 445 CB ILE C 97 69.306 57.830 17.205 1.00 2.00 C +ATOM 446 CG1 ILE C 97 68.153 56.865 17.536 1.00 2.00 C +ATOM 447 CG2 ILE C 97 70.572 57.064 16.853 1.00 2.00 C +ATOM 448 CD1 ILE C 97 67.697 55.990 16.368 1.00 2.00 C +ATOM 449 N PRO C 98 71.758 59.828 18.816 1.00 2.00 N +ATOM 450 CA PRO C 98 72.955 60.607 18.479 1.00 2.00 C +ATOM 451 C PRO C 98 73.503 60.210 17.106 1.00 2.00 C +ATOM 452 O PRO C 98 73.412 59.045 16.721 1.00 2.00 O +ATOM 453 CB PRO C 98 73.938 60.240 19.592 1.00 2.00 C +ATOM 454 CG PRO C 98 73.100 59.829 20.730 1.00 2.00 C +ATOM 455 CD PRO C 98 71.853 59.221 20.154 1.00 2.00 C +ATOM 456 N ILE C 99 74.028 61.171 16.358 1.00 2.00 N +ATOM 457 CA ILE C 99 74.374 60.903 14.965 1.00 2.00 C +ATOM 458 C ILE C 99 75.415 59.784 14.775 1.00 2.00 C +ATOM 459 O ILE C 99 75.353 59.066 13.805 1.00 2.00 O +ATOM 460 CB ILE C 99 74.835 62.172 14.212 1.00 2.00 C +ATOM 461 CG1 ILE C 99 74.821 61.906 12.699 1.00 2.00 C +ATOM 462 CG2 ILE C 99 76.204 62.643 14.703 1.00 2.00 C +ATOM 463 CD1 ILE C 99 75.139 63.110 11.847 1.00 2.00 C +ATOM 464 N LEU C 100 76.359 59.640 15.694 1.00 2.00 N +ATOM 465 CA LEU C 100 77.371 58.581 15.585 1.00 2.00 C +ATOM 466 C LEU C 100 76.794 57.238 15.977 1.00 2.00 C +ATOM 467 O LEU C 100 77.429 56.212 15.785 1.00 2.00 O +ATOM 468 CB LEU C 100 78.605 58.875 16.445 1.00 2.00 C +ATOM 469 CG LEU C 100 79.511 60.012 15.979 1.00 2.00 C +ATOM 470 CD1 LEU C 100 80.599 60.325 17.027 1.00 2.00 C +ATOM 471 CD2 LEU C 100 80.157 59.674 14.629 1.00 2.00 C +ATOM 472 N GLN C 101 75.590 57.241 16.527 1.00 2.00 N +ATOM 473 CA GLN C 101 74.889 55.998 16.800 1.00 2.00 C +ATOM 474 C GLN C 101 73.797 55.678 15.770 1.00 2.00 C +ATOM 475 O GLN C 101 72.892 54.890 16.037 1.00 2.00 O +ATOM 476 CB GLN C 101 74.354 56.032 18.220 1.00 2.00 C +ATOM 477 CG GLN C 101 75.451 55.815 19.233 1.00 2.00 C +ATOM 478 CD GLN C 101 74.969 55.917 20.659 1.00 2.00 C +ATOM 479 OE1 GLN C 101 74.248 56.852 21.020 1.00 2.00 O +ATOM 480 NE2 GLN C 101 75.366 54.965 21.480 1.00 2.00 N +ATOM 481 N SER C 102 73.929 56.216 14.559 1.00 2.00 N +ATOM 482 CA SER C 102 72.861 56.046 13.566 1.00 2.00 C +ATOM 483 C SER C 102 72.668 54.621 13.034 1.00 2.00 C +ATOM 484 O SER C 102 71.708 54.374 12.315 1.00 2.00 O +ATOM 485 CB SER C 102 73.017 57.040 12.414 1.00 2.00 C +ATOM 486 OG SER C 102 72.947 58.374 12.912 1.00 2.00 O +ATOM 487 N ARG C 103 73.538 53.686 13.396 1.00 2.00 N +ATOM 488 CA ARG C 103 73.296 52.273 13.083 1.00 2.00 C +ATOM 489 C ARG C 103 71.950 51.772 13.608 1.00 2.00 C +ATOM 490 O ARG C 103 71.413 50.794 13.097 1.00 2.00 O +ATOM 491 CB ARG C 103 74.437 51.381 13.613 1.00 2.00 C +ATOM 492 CG ARG C 103 74.534 51.273 15.118 1.00 2.00 C +ATOM 493 CD ARG C 103 75.808 50.568 15.555 1.00 2.00 C +ATOM 494 NE ARG C 103 75.942 50.520 17.015 1.00 2.00 N +ATOM 495 CZ ARG C 103 76.534 51.445 17.773 1.00 2.00 C +ATOM 496 NH1 ARG C 103 77.075 52.544 17.251 1.00 2.00 N +ATOM 497 NH2 ARG C 103 76.593 51.267 19.087 1.00 2.00 N +ATOM 498 N PHE C 104 71.408 52.438 14.630 1.00 2.00 N +ATOM 499 CA PHE C 104 70.113 52.043 15.217 1.00 2.00 C +ATOM 500 C PHE C 104 68.879 52.448 14.395 1.00 2.00 C +ATOM 501 O PHE C 104 67.788 51.899 14.588 1.00 2.00 O +ATOM 502 CB PHE C 104 70.003 52.539 16.670 1.00 2.00 C +ATOM 503 CG PHE C 104 71.103 52.029 17.560 1.00 2.00 C +ATOM 504 CD1 PHE C 104 71.331 50.665 17.688 1.00 2.00 C +ATOM 505 CD2 PHE C 104 71.935 52.905 18.246 1.00 2.00 C +ATOM 506 CE1 PHE C 104 72.351 50.182 18.494 1.00 2.00 C +ATOM 507 CE2 PHE C 104 72.967 52.418 19.059 1.00 2.00 C +ATOM 508 CZ PHE C 104 73.164 51.065 19.182 1.00 2.00 C +ATOM 509 N ILE C 105 69.058 53.350 13.439 1.00 2.00 N +ATOM 510 CA ILE C 105 67.934 53.893 12.686 1.00 2.00 C +ATOM 511 C ILE C 105 67.261 52.851 11.779 1.00 2.00 C +ATOM 512 O ILE C 105 66.061 52.573 11.901 1.00 2.00 O +ATOM 513 CB ILE C 105 68.378 55.087 11.836 1.00 2.00 C +ATOM 514 CG1 ILE C 105 68.804 56.241 12.753 1.00 2.00 C +ATOM 515 CG2 ILE C 105 67.252 55.488 10.869 1.00 2.00 C +ATOM 516 CD1 ILE C 105 69.392 57.400 12.034 1.00 2.00 C +ATOM 517 N ALA C 106 68.028 52.291 10.854 1.00 2.00 N +ATOM 518 CA ALA C 106 67.469 51.324 9.907 1.00 2.00 C +ATOM 519 C ALA C 106 66.701 50.163 10.591 1.00 2.00 C +ATOM 520 O ALA C 106 65.564 49.879 10.216 1.00 2.00 O +ATOM 521 CB ALA C 106 68.554 50.808 8.916 1.00 2.00 C +ATOM 522 N PRO C 107 67.299 49.510 11.602 1.00 2.00 N +ATOM 523 CA PRO C 107 66.543 48.518 12.364 1.00 2.00 C +ATOM 524 C PRO C 107 65.255 49.058 12.982 1.00 2.00 C +ATOM 525 O PRO C 107 64.251 48.355 12.974 1.00 2.00 O +ATOM 526 CB PRO C 107 67.517 48.098 13.475 1.00 2.00 C +ATOM 527 CG PRO C 107 68.838 48.367 12.928 1.00 2.00 C +ATOM 528 CD PRO C 107 68.695 49.583 12.049 1.00 2.00 C +ATOM 529 N ALA C 108 65.278 50.273 13.512 1.00 2.00 N +ATOM 530 CA ALA C 108 64.054 50.906 14.001 1.00 2.00 C +ATOM 531 C ALA C 108 63.054 51.144 12.859 1.00 2.00 C +ATOM 532 O ALA C 108 61.858 50.917 13.016 1.00 2.00 O +ATOM 533 CB ALA C 108 64.364 52.209 14.726 1.00 2.00 C +ATOM 534 N ALA C 109 63.551 51.601 11.716 1.00 2.00 N +ATOM 535 CA ALA C 109 62.726 51.774 10.520 1.00 2.00 C +ATOM 536 C ALA C 109 62.048 50.473 10.079 1.00 2.00 C +ATOM 537 O ALA C 109 60.883 50.471 9.705 1.00 2.00 O +ATOM 538 CB ALA C 109 63.562 52.365 9.359 1.00 2.00 C +ATOM 539 N SER C 110 62.761 49.357 10.153 1.00 2.00 N +ATOM 540 CA SER C 110 62.165 48.084 9.750 1.00 2.00 C +ATOM 541 C SER C 110 60.982 47.730 10.651 1.00 2.00 C +ATOM 542 O SER C 110 60.136 46.935 10.276 1.00 2.00 O +ATOM 543 CB SER C 110 63.203 46.954 9.766 1.00 2.00 C +ATOM 544 OG SER C 110 63.510 46.569 11.102 1.00 3.14 O +ATOM 545 N LEU C 111 60.940 48.311 11.846 1.00 2.00 N +ATOM 546 CA LEU C 111 59.825 48.115 12.756 1.00 2.00 C +ATOM 547 C LEU C 111 58.754 49.201 12.642 1.00 2.00 C +ATOM 548 O LEU C 111 57.841 49.226 13.446 1.00 2.00 O +ATOM 549 CB LEU C 111 60.319 48.056 14.199 1.00 2.00 C +ATOM 550 CG LEU C 111 61.224 46.892 14.579 1.00 2.00 C +ATOM 551 CD1 LEU C 111 61.739 47.101 16.004 1.00 2.00 C +ATOM 552 CD2 LEU C 111 60.485 45.543 14.442 1.00 2.00 C +ATOM 553 N GLY C 112 58.853 50.095 11.662 1.00 2.00 N +ATOM 554 CA GLY C 112 57.810 51.095 11.433 1.00 2.00 C +ATOM 555 C GLY C 112 58.135 52.517 11.875 1.00 2.00 C +ATOM 556 O GLY C 112 57.341 53.438 11.644 1.00 2.00 O +ATOM 557 N PHE C 113 59.296 52.716 12.498 1.00 2.00 N +ATOM 558 CA PHE C 113 59.702 54.060 12.911 1.00 2.00 C +ATOM 559 C PHE C 113 60.039 54.920 11.702 1.00 2.00 C +ATOM 560 O PHE C 113 60.528 54.414 10.707 1.00 2.00 O +ATOM 561 CB PHE C 113 60.900 54.019 13.852 1.00 2.00 C +ATOM 562 CG PHE C 113 60.558 53.635 15.257 1.00 2.00 C +ATOM 563 CD1 PHE C 113 60.510 52.309 15.631 1.00 2.00 C +ATOM 564 CD2 PHE C 113 60.314 54.606 16.212 1.00 2.00 C +ATOM 565 CE1 PHE C 113 60.207 51.955 16.921 1.00 2.00 C +ATOM 566 CE2 PHE C 113 60.016 54.255 17.518 1.00 2.00 C +ATOM 567 CZ PHE C 113 59.960 52.928 17.870 1.00 2.00 C +ATOM 568 N CYS C 114 59.742 56.210 11.808 1.00 2.00 N +ATOM 569 CA ACYS C 114 60.107 57.177 10.778 0.50 2.00 C +ATOM 570 CA BCYS C 114 60.057 57.197 10.777 0.50 2.00 C +ATOM 571 C CYS C 114 60.735 58.401 11.435 1.00 2.00 C +ATOM 572 O CYS C 114 60.587 58.625 12.641 1.00 2.00 O +ATOM 573 CB ACYS C 114 58.893 57.578 9.933 0.50 2.00 C +ATOM 574 CB BCYS C 114 58.784 57.670 10.061 0.50 2.00 C +ATOM 575 SG ACYS C 114 57.706 58.685 10.731 0.50 2.00 S +ATOM 576 SG BCYS C 114 57.637 56.366 9.514 0.50 2.00 S +ATOM 577 N PHE C 115 61.455 59.178 10.643 1.00 2.00 N +ATOM 578 CA PHE C 115 62.078 60.372 11.146 1.00 2.00 C +ATOM 579 C PHE C 115 60.980 61.347 11.519 1.00 2.00 C +ATOM 580 O PHE C 115 60.050 61.547 10.738 1.00 2.00 O +ATOM 581 CB PHE C 115 62.972 61.032 10.095 1.00 2.00 C +ATOM 582 CG PHE C 115 64.292 60.364 9.907 1.00 2.00 C +ATOM 583 CD1 PHE C 115 65.205 60.298 10.950 1.00 2.00 C +ATOM 584 CD2 PHE C 115 64.651 59.841 8.663 1.00 2.00 C +ATOM 585 CE1 PHE C 115 66.441 59.700 10.772 1.00 2.00 C +ATOM 586 CE2 PHE C 115 65.884 59.248 8.476 1.00 2.00 C +ATOM 587 CZ PHE C 115 66.781 59.167 9.534 1.00 2.00 C +ATOM 588 N HIS C 116 61.091 61.942 12.708 1.00 2.00 N +ATOM 589 CA HIS C 116 60.285 63.117 13.055 1.00 2.00 C +ATOM 590 C HIS C 116 61.082 64.391 12.742 1.00 2.00 C +ATOM 591 O HIS C 116 60.594 65.278 12.064 1.00 2.00 O +ATOM 592 CB HIS C 116 59.872 63.069 14.526 1.00 2.00 C +ATOM 593 CG HIS C 116 59.036 64.233 14.956 1.00 2.00 C +ATOM 594 ND1 HIS C 116 59.582 65.401 15.437 1.00 2.00 N +ATOM 595 CD2 HIS C 116 57.689 64.402 14.989 1.00 2.00 C +ATOM 596 CE1 HIS C 116 58.609 66.242 15.746 1.00 2.00 C +ATOM 597 NE2 HIS C 116 57.450 65.659 15.486 1.00 2.00 N +ATOM 598 N HIS C 117 62.316 64.475 13.225 1.00 2.00 N +ATOM 599 CA HIS C 117 63.184 65.624 12.906 1.00 2.00 C +ATOM 600 C HIS C 117 64.639 65.299 13.229 1.00 2.00 C +ATOM 601 O HIS C 117 64.934 64.228 13.745 1.00 2.00 O +ATOM 602 CB HIS C 117 62.733 66.895 13.665 1.00 2.00 C +ATOM 603 CG HIS C 117 62.962 66.824 15.144 1.00 2.00 C +ATOM 604 ND1 HIS C 117 62.061 66.236 16.013 1.00 2.00 N +ATOM 605 CD2 HIS C 117 64.000 67.250 15.907 1.00 2.00 C +ATOM 606 CE1 HIS C 117 62.540 66.300 17.248 1.00 2.00 C +ATOM 607 NE2 HIS C 117 63.717 66.906 17.211 1.00 2.00 N +ATOM 608 N ALA C 118 65.547 66.219 12.919 1.00 2.00 N +ATOM 609 CA ALA C 118 66.948 66.059 13.288 1.00 2.00 C +ATOM 610 C ALA C 118 67.584 67.376 13.674 1.00 2.00 C +ATOM 611 O ALA C 118 67.236 68.421 13.135 1.00 2.00 O +ATOM 612 CB ALA C 118 67.727 65.434 12.153 1.00 2.00 C +ATOM 613 N GLU C 119 68.500 67.318 14.636 1.00 2.00 N +ATOM 614 CA GLU C 119 69.422 68.409 14.891 1.00 2.00 C +ATOM 615 C GLU C 119 70.718 68.017 14.170 1.00 2.00 C +ATOM 616 O GLU C 119 70.819 66.910 13.652 1.00 2.00 O +ATOM 617 CB GLU C 119 69.678 68.573 16.391 1.00 2.00 C +ATOM 618 CG GLU C 119 68.443 68.769 17.254 1.00 2.55 C +ATOM 619 CD GLU C 119 67.735 70.096 17.015 1.00 7.21 C +ATOM 620 OE1 GLU C 119 68.353 71.034 16.452 1.00 9.81 O +ATOM 621 OE2 GLU C 119 66.547 70.202 17.410 1.00 11.16 O +ATOM 622 N SER C 120 71.701 68.905 14.140 1.00 2.00 N +ATOM 623 CA SER C 120 72.987 68.604 13.502 1.00 2.00 C +ATOM 624 C SER C 120 73.509 67.239 13.914 1.00 2.00 C +ATOM 625 O SER C 120 73.907 66.452 13.081 1.00 2.00 O +ATOM 626 CB SER C 120 74.025 69.661 13.883 1.00 2.00 C +ATOM 627 OG SER C 120 73.752 70.900 13.229 1.00 2.00 O +ATOM 628 N ASP C 121 73.468 66.967 15.210 1.00 2.00 N +ATOM 629 CA ASP C 121 74.174 65.856 15.797 1.00 2.00 C +ATOM 630 C ASP C 121 73.279 64.753 16.348 1.00 2.00 C +ATOM 631 O ASP C 121 73.738 63.937 17.109 1.00 2.00 O +ATOM 632 CB ASP C 121 75.081 66.381 16.918 1.00 2.00 C +ATOM 633 CG ASP C 121 74.296 67.008 18.079 1.00 2.00 C +ATOM 634 OD1 ASP C 121 73.183 67.523 17.849 1.00 2.00 O +ATOM 635 OD2 ASP C 121 74.807 66.976 19.232 1.00 5.51 O +ATOM 636 N SER C 122 72.007 64.724 15.961 1.00 2.00 N +ATOM 637 CA SER C 122 71.092 63.682 16.415 1.00 2.00 C +ATOM 638 C SER C 122 69.822 63.673 15.578 1.00 2.00 C +ATOM 639 O SER C 122 69.498 64.663 14.913 1.00 2.00 O +ATOM 640 CB SER C 122 70.701 63.907 17.871 1.00 2.00 C +ATOM 641 OG SER C 122 69.762 64.964 17.954 1.00 2.00 O +ATOM 642 N SER C 123 69.099 62.562 15.633 1.00 2.00 N +ATOM 643 CA SER C 123 67.829 62.442 14.937 1.00 2.00 C +ATOM 644 C SER C 123 66.776 61.906 15.906 1.00 2.00 C +ATOM 645 O SER C 123 67.101 61.256 16.878 1.00 2.00 O +ATOM 646 CB SER C 123 67.961 61.570 13.667 1.00 2.00 C +ATOM 647 OG SER C 123 68.210 60.201 13.956 1.00 2.00 O +ATOM 648 N THR C 124 65.518 62.243 15.664 1.00 2.00 N +ATOM 649 CA THR C 124 64.413 61.795 16.512 1.00 2.00 C +ATOM 650 C THR C 124 63.448 61.019 15.638 1.00 2.00 C +ATOM 651 O THR C 124 63.047 61.476 14.579 1.00 2.00 O +ATOM 652 CB THR C 124 63.698 62.982 17.188 1.00 2.00 C +ATOM 653 OG1 THR C 124 64.615 63.640 18.066 1.00 2.00 O +ATOM 654 CG2 THR C 124 62.469 62.518 17.992 1.00 2.00 C +ATOM 655 N LEU C 125 63.092 59.833 16.088 1.00 2.00 N +ATOM 656 CA LEU C 125 62.242 58.945 15.341 1.00 2.00 C +ATOM 657 C LEU C 125 61.020 58.701 16.169 1.00 2.00 C +ATOM 658 O LEU C 125 61.065 58.810 17.397 1.00 2.00 O +ATOM 659 CB LEU C 125 62.961 57.622 15.095 1.00 2.00 C +ATOM 660 CG LEU C 125 63.922 57.606 13.905 1.00 2.00 C +ATOM 661 CD1 LEU C 125 65.101 58.541 14.122 1.00 2.00 C +ATOM 662 CD2 LEU C 125 64.388 56.178 13.669 1.00 2.00 C +ATOM 663 N THR C 126 59.925 58.352 15.506 1.00 2.00 N +ATOM 664 CA THR C 126 58.695 58.098 16.210 1.00 2.00 C +ATOM 665 C THR C 126 57.907 56.978 15.562 1.00 2.00 C +ATOM 666 O THR C 126 58.027 56.739 14.363 1.00 2.00 O +ATOM 667 CB THR C 126 57.841 59.378 16.311 1.00 2.00 C +ATOM 668 OG1 THR C 126 56.813 59.170 17.274 1.00 2.00 O +ATOM 669 CG2 THR C 126 57.218 59.749 14.983 1.00 2.00 C +ATOM 670 N LEU C 127 57.145 56.272 16.385 1.00 2.00 N +ATOM 671 CA LEU C 127 56.205 55.263 15.928 1.00 2.00 C +ATOM 672 C LEU C 127 54.894 55.485 16.657 1.00 2.99 C +ATOM 673 O LEU C 127 54.857 55.479 17.883 1.00 2.78 O +ATOM 674 CB LEU C 127 56.734 53.856 16.223 1.00 2.00 C +ATOM 675 CG LEU C 127 55.754 52.683 16.005 1.00 2.00 C +ATOM 676 CD1 LEU C 127 55.432 52.487 14.524 1.00 2.00 C +ATOM 677 CD2 LEU C 127 56.294 51.375 16.615 1.00 2.00 C +ATOM 678 N TRP C 128 53.830 55.687 15.891 1.00 4.62 N +ATOM 679 CA TRP C 128 52.474 55.791 16.418 1.00 6.09 C +ATOM 680 C TRP C 128 51.975 54.402 16.828 1.00 7.03 C +ATOM 681 O TRP C 128 52.147 53.438 16.085 1.00 7.08 O +ATOM 682 CB TRP C 128 51.570 56.408 15.344 1.00 6.28 C +ATOM 683 CG TRP C 128 50.094 56.489 15.663 1.00 8.10 C +ATOM 684 CD1 TRP C 128 49.423 57.557 16.202 1.00 9.87 C +ATOM 685 CD2 TRP C 128 49.100 55.481 15.413 1.00 9.97 C +ATOM 686 NE1 TRP C 128 48.079 57.271 16.316 1.00 10.11 N +ATOM 687 CE2 TRP C 128 47.853 56.006 15.840 1.00 10.57 C +ATOM 688 CE3 TRP C 128 49.142 54.185 14.877 1.00 10.46 C +ATOM 689 CZ2 TRP C 128 46.663 55.281 15.743 1.00 10.33 C +ATOM 690 CZ3 TRP C 128 47.957 53.464 14.782 1.00 10.69 C +ATOM 691 CH2 TRP C 128 46.733 54.017 15.217 1.00 10.96 C +ATOM 692 N LEU C 129 51.383 54.297 18.019 1.00 8.42 N +ATOM 693 CA LEU C 129 50.770 53.038 18.478 1.00 9.74 C +ATOM 694 C LEU C 129 49.232 53.114 18.497 1.00 11.13 C +ATOM 695 O LEU C 129 48.566 52.195 18.041 1.00 11.00 O +ATOM 696 CB LEU C 129 51.305 52.636 19.856 1.00 9.41 C +ATOM 697 CG LEU C 129 52.820 52.441 19.951 1.00 9.21 C +ATOM 698 CD1 LEU C 129 53.256 52.240 21.405 1.00 7.75 C +ATOM 699 CD2 LEU C 129 53.269 51.281 19.072 1.00 8.25 C +ATOM 700 N ARG C 130 48.695 54.210 19.032 1.00 13.07 N +ATOM 701 CA ARG C 130 47.254 54.479 19.078 1.00 14.81 C +ATOM 702 C ARG C 130 47.016 55.980 19.326 1.00 15.66 C +ATOM 703 O ARG C 130 47.971 56.727 19.562 1.00 15.63 O +ATOM 704 CB ARG C 130 46.567 53.623 20.152 1.00 15.26 C +ATOM 705 CG ARG C 130 46.955 53.946 21.586 1.00 17.11 C +ATOM 706 CD ARG C 130 46.209 53.058 22.580 1.00 19.85 C +ATOM 707 NE ARG C 130 44.859 53.540 22.888 1.00 22.44 N +ATOM 708 CZ ARG C 130 44.516 54.268 23.957 1.00 24.58 C +ATOM 709 NH1 ARG C 130 45.412 54.644 24.873 1.00 24.85 N +ATOM 710 NH2 ARG C 130 43.248 54.627 24.119 1.00 25.33 N +ATOM 711 N GLU C 131 45.759 56.422 19.281 1.00 16.55 N +ATOM 712 CA GLU C 131 45.442 57.860 19.434 1.00 17.31 C +ATOM 713 C GLU C 131 45.451 58.341 20.885 1.00 17.02 C +ATOM 714 O GLU C 131 44.986 57.646 21.782 1.00 16.87 O +ATOM 715 CB GLU C 131 44.096 58.187 18.792 1.00 17.68 C +ATOM 716 CG GLU C 131 44.124 58.095 17.277 1.00 19.57 C +ATOM 717 CD GLU C 131 44.711 59.324 16.592 1.00 22.33 C +ATOM 718 OE1 GLU C 131 44.202 60.437 16.857 1.00 24.15 O +ATOM 719 OE2 GLU C 131 45.654 59.176 15.773 1.00 23.12 O Added: SwiftApps/modFTdock/input/indata/3g36-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3g36-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3g36-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,800 @@ +ATOM 1 N VAL A 46 21.798 10.349 19.865 1.00 26.94 N +ATOM 2 CA VAL A 46 23.065 10.192 20.644 1.00 26.28 C +ATOM 3 C VAL A 46 24.112 9.451 19.803 1.00 25.27 C +ATOM 4 O VAL A 46 24.068 8.215 19.689 1.00 26.31 O +ATOM 5 CB VAL A 46 22.820 9.490 22.021 1.00 26.87 C +ATOM 6 CG1 VAL A 46 21.959 8.216 21.865 1.00 28.08 C +ATOM 7 CG2 VAL A 46 24.147 9.200 22.754 1.00 27.84 C +ATOM 8 N ASP A 47 25.033 10.189 19.178 1.00 23.63 N +ATOM 9 CA ASP A 47 25.027 11.651 19.136 1.00 21.32 C +ATOM 10 C ASP A 47 24.088 12.110 18.025 1.00 19.21 C +ATOM 11 O ASP A 47 24.359 11.911 16.841 1.00 18.35 O +ATOM 12 CB ASP A 47 26.444 12.183 18.886 1.00 21.88 C +ATOM 13 CG ASP A 47 26.520 13.710 18.842 1.00 23.75 C +ATOM 14 OD1 ASP A 47 25.532 14.417 19.159 1.00 24.80 O +ATOM 15 OD2 ASP A 47 27.612 14.212 18.490 1.00 27.96 O +ATOM 16 N LEU A 48 22.978 12.731 18.421 1.00 16.80 N +ATOM 17 CA LEU A 48 21.977 13.209 17.465 1.00 14.57 C +ATOM 18 C LEU A 48 22.543 14.189 16.447 1.00 13.20 C +ATOM 19 O LEU A 48 22.119 14.204 15.300 1.00 11.48 O +ATOM 20 CB LEU A 48 20.802 13.854 18.205 1.00 15.16 C +ATOM 21 CG LEU A 48 19.861 12.925 18.979 1.00 15.28 C +ATOM 22 CD1 LEU A 48 18.903 13.732 19.835 1.00 16.80 C +ATOM 23 CD2 LEU A 48 19.089 12.049 18.016 1.00 16.82 C +ATOM 24 N GLN A 49 23.516 14.998 16.864 1.00 12.62 N +ATOM 25 CA GLN A 49 24.105 15.987 15.952 1.00 12.39 C +ATOM 26 C GLN A 49 24.862 15.374 14.775 1.00 11.25 C +ATOM 27 O GLN A 49 25.025 16.029 13.730 1.00 11.27 O +ATOM 28 CB GLN A 49 25.027 16.949 16.698 1.00 13.06 C +ATOM 29 CG GLN A 49 24.347 17.731 17.798 1.00 17.04 C +ATOM 30 CD GLN A 49 23.300 18.710 17.280 1.00 20.38 C +ATOM 31 OE1 GLN A 49 23.401 19.238 16.163 1.00 22.99 O +ATOM 32 NE2 GLN A 49 22.281 18.963 18.100 1.00 22.20 N +ATOM 33 N SER A 50 25.311 14.130 14.944 1.00 10.96 N +ATOM 34 CA SER A 50 26.071 13.449 13.897 1.00 10.88 C +ATOM 35 C SER A 50 25.233 12.651 12.895 1.00 10.59 C +ATOM 36 O SER A 50 25.724 12.245 11.850 1.00 10.24 O +ATOM 37 CB SER A 50 27.160 12.597 14.522 1.00 11.79 C +ATOM 38 OG SER A 50 28.073 13.470 15.181 1.00 18.14 O +ATOM 39 N LEU A 51 23.946 12.472 13.196 1.00 9.90 N +ATOM 40 CA LEU A 51 23.108 11.606 12.370 1.00 10.62 C +ATOM 41 C LEU A 51 22.751 12.236 11.031 1.00 9.99 C +ATOM 42 O LEU A 51 22.535 13.436 10.967 1.00 9.84 O +ATOM 43 CB LEU A 51 21.816 11.259 13.109 1.00 10.38 C +ATOM 44 CG LEU A 51 22.016 10.433 14.373 1.00 11.02 C +ATOM 45 CD1 LEU A 51 20.667 10.162 15.020 1.00 10.66 C +ATOM 46 CD2 LEU A 51 22.737 9.134 14.082 1.00 13.99 C +ATOM 47 N PRO A 52 22.653 11.421 9.965 1.00 11.04 N +ATOM 48 CA PRO A 52 22.048 11.947 8.746 1.00 11.36 C +ATOM 49 C PRO A 52 20.611 12.441 9.022 1.00 10.99 C +ATOM 50 O PRO A 52 19.954 11.991 9.982 1.00 11.12 O +ATOM 51 CB PRO A 52 22.019 10.739 7.795 1.00 12.83 C +ATOM 52 CG PRO A 52 22.937 9.738 8.379 1.00 13.82 C +ATOM 53 CD PRO A 52 23.016 9.994 9.850 1.00 11.45 C +ATOM 54 N THR A 53 20.125 13.342 8.183 1.00 10.40 N +ATOM 55 CA THR A 53 18.782 13.923 8.311 1.00 10.61 C +ATOM 56 C THR A 53 17.684 12.909 8.678 1.00 9.89 C +ATOM 57 O THR A 53 16.937 13.108 9.646 1.00 9.59 O +ATOM 58 CB THR A 53 18.378 14.632 6.996 1.00 10.66 C +ATOM 59 OG1 THR A 53 19.313 15.693 6.739 1.00 14.33 O +ATOM 60 CG2 THR A 53 16.975 15.208 7.096 1.00 12.45 C +ATOM 61 N ARG A 54 17.572 11.837 7.893 1.00 8.84 N +ATOM 62 CA ARG A 54 16.489 10.877 8.066 1.00 9.24 C +ATOM 63 C ARG A 54 16.581 10.269 9.455 1.00 8.49 C +ATOM 64 O ARG A 54 15.578 10.203 10.170 1.00 8.11 O +ATOM 65 CB ARG A 54 16.569 9.792 6.998 1.00 9.63 C +ATOM 66 CG ARG A 54 15.452 8.769 7.088 1.00 11.07 C +ATOM 67 CD ARG A 54 15.697 7.716 6.053 1.00 12.53 C +ATOM 68 NE ARG A 54 14.719 6.623 6.067 1.00 13.95 N +ATOM 69 CZ ARG A 54 13.571 6.630 5.386 1.00 16.00 C +ATOM 70 NH1 ARG A 54 13.217 7.687 4.672 1.00 15.30 N +ATOM 71 NH2 ARG A 54 12.763 5.578 5.439 1.00 15.94 N +ATOM 72 N ALA A 55 17.762 9.792 9.827 1.00 8.21 N +ATOM 73 CA ALA A 55 17.981 9.204 11.140 1.00 7.16 C +ATOM 74 C ALA A 55 17.748 10.196 12.313 1.00 7.84 C +ATOM 75 O ALA A 55 17.199 9.837 13.365 1.00 7.23 O +ATOM 76 CB ALA A 55 19.386 8.597 11.206 1.00 7.72 C +ATOM 77 N TYR A 56 18.164 11.451 12.142 1.00 6.90 N +ATOM 78 CA TYR A 56 17.924 12.463 13.162 1.00 6.79 C +ATOM 79 C TYR A 56 16.423 12.613 13.433 1.00 5.04 C +ATOM 80 O TYR A 56 15.985 12.627 14.573 1.00 5.73 O +ATOM 81 CB TYR A 56 18.551 13.826 12.767 1.00 6.70 C +ATOM 82 CG TYR A 56 18.149 14.904 13.737 1.00 6.88 C +ATOM 83 CD1 TYR A 56 18.764 15.001 14.967 1.00 7.48 C +ATOM 84 CD2 TYR A 56 17.085 15.761 13.476 1.00 8.17 C +ATOM 85 CE1 TYR A 56 18.370 15.968 15.909 1.00 7.79 C +ATOM 86 CE2 TYR A 56 16.689 16.719 14.413 1.00 7.37 C +ATOM 87 CZ TYR A 56 17.336 16.818 15.615 1.00 8.41 C +ATOM 88 OH TYR A 56 16.911 17.738 16.549 1.00 10.31 O +ATOM 89 N LEU A 57 15.664 12.777 12.362 1.00 5.61 N +ATOM 90 CA LEU A 57 14.198 12.880 12.471 1.00 5.40 C +ATOM 91 C LEU A 57 13.570 11.610 13.069 1.00 5.70 C +ATOM 92 O LEU A 57 12.710 11.697 13.947 1.00 5.64 O +ATOM 93 CB LEU A 57 13.605 13.199 11.105 1.00 6.44 C +ATOM 94 CG LEU A 57 14.009 14.573 10.555 1.00 7.03 C +ATOM 95 CD1 LEU A 57 13.667 14.683 9.094 1.00 8.76 C +ATOM 96 CD2 LEU A 57 13.389 15.723 11.358 1.00 8.41 C +ATOM 97 N ASP A 58 14.098 10.451 12.676 1.00 5.79 N +ATOM 98 CA ASP A 58 13.641 9.167 13.202 1.00 5.87 C +ATOM 99 C ASP A 58 13.785 9.073 14.695 1.00 6.28 C +ATOM 100 O ASP A 58 12.920 8.503 15.375 1.00 7.02 O +ATOM 101 CB ASP A 58 14.422 8.018 12.563 1.00 6.90 C +ATOM 102 CG ASP A 58 13.861 7.595 11.232 1.00 8.31 C +ATOM 103 OD1 ASP A 58 12.930 8.259 10.714 1.00 9.15 O +ATOM 104 OD2 ASP A 58 14.356 6.575 10.704 1.00 9.05 O +ATOM 105 N GLN A 59 14.857 9.628 15.233 1.00 6.21 N +ATOM 106 CA GLN A 59 15.166 9.440 16.643 1.00 7.17 C +ATOM 107 C GLN A 59 14.688 10.590 17.511 1.00 8.04 C +ATOM 108 O GLN A 59 15.017 10.648 18.703 1.00 10.44 O +ATOM 109 CB GLN A 59 16.669 9.214 16.831 1.00 7.13 C +ATOM 110 CG GLN A 59 17.158 7.914 16.145 1.00 9.05 C +ATOM 111 CD GLN A 59 16.229 6.720 16.368 1.00 10.60 C +ATOM 112 OE1 GLN A 59 15.609 6.226 15.425 1.00 9.24 O +ATOM 113 NE2 GLN A 59 16.096 6.287 17.613 1.00 12.28 N +ATOM 114 N THR A 60 14.000 11.554 16.912 1.00 6.18 N +ATOM 115 CA THR A 60 13.464 12.685 17.658 1.00 6.38 C +ATOM 116 C THR A 60 11.945 12.790 17.544 1.00 5.61 C +ATOM 117 O THR A 60 11.272 12.861 18.569 1.00 6.34 O +ATOM 118 CB THR A 60 14.116 14.022 17.237 1.00 6.42 C +ATOM 119 OG1 THR A 60 13.995 14.169 15.824 1.00 5.89 O +ATOM 120 CG2 THR A 60 15.597 14.095 17.670 1.00 8.05 C +ATOM 121 N VAL A 61 11.415 12.805 16.326 1.00 5.12 N +ATOM 122 CA VAL A 61 10.011 13.160 16.136 1.00 5.18 C +ATOM 123 C VAL A 61 9.175 12.127 15.385 1.00 4.78 C +ATOM 124 O VAL A 61 7.954 12.165 15.480 1.00 5.01 O +ATOM 125 CB VAL A 61 9.848 14.566 15.465 1.00 5.21 C +ATOM 126 CG1 VAL A 61 10.391 15.672 16.379 1.00 7.24 C +ATOM 127 CG2 VAL A 61 10.489 14.641 14.083 1.00 7.37 C +ATOM 128 N VAL A 62 9.783 11.217 14.634 1.00 5.47 N +ATOM 129 CA VAL A 62 8.943 10.315 13.858 1.00 5.59 C +ATOM 130 C VAL A 62 7.965 9.485 14.719 1.00 5.04 C +ATOM 131 O VAL A 62 6.789 9.446 14.392 1.00 5.16 O +ATOM 132 CB VAL A 62 9.761 9.476 12.839 1.00 5.22 C +ATOM 133 CG1 VAL A 62 8.893 8.395 12.200 1.00 6.52 C +ATOM 134 CG2 VAL A 62 10.358 10.390 11.784 1.00 6.82 C +ATOM 135 N PRO A 63 8.420 8.876 15.822 1.00 5.08 N +ATOM 136 CA PRO A 63 7.467 8.064 16.598 1.00 5.16 C +ATOM 137 C PRO A 63 6.283 8.876 17.119 1.00 4.56 C +ATOM 138 O PRO A 63 5.139 8.456 16.956 1.00 5.17 O +ATOM 139 CB PRO A 63 8.331 7.502 17.746 1.00 5.81 C +ATOM 140 CG PRO A 63 9.684 7.382 17.135 1.00 6.44 C +ATOM 141 CD PRO A 63 9.797 8.668 16.309 1.00 4.91 C +ATOM 142 N ILE A 64 6.514 10.031 17.731 1.00 4.71 N +ATOM 143 CA ILE A 64 5.391 10.800 18.241 1.00 5.40 C +ATOM 144 C ILE A 64 4.511 11.285 17.102 1.00 5.15 C +ATOM 145 O ILE A 64 3.286 11.400 17.278 1.00 5.90 O +ATOM 146 CB ILE A 64 5.843 11.945 19.181 1.00 5.54 C +ATOM 147 CG1 ILE A 64 4.619 12.499 19.896 1.00 5.98 C +ATOM 148 CG2 ILE A 64 6.564 13.050 18.419 1.00 6.56 C +ATOM 149 CD1 ILE A 64 4.964 13.409 21.050 1.00 7.45 C +ATOM 150 N LEU A 65 5.092 11.570 15.935 1.00 5.27 N +ATOM 151 CA LEU A 65 4.272 11.954 14.796 1.00 5.49 C +ATOM 152 C LEU A 65 3.392 10.819 14.307 1.00 5.13 C +ATOM 153 O LEU A 65 2.248 11.059 13.923 1.00 6.07 O +ATOM 154 CB LEU A 65 5.114 12.490 13.637 1.00 5.78 C +ATOM 155 CG LEU A 65 5.711 13.887 13.888 1.00 4.96 C +ATOM 156 CD1 LEU A 65 6.763 14.217 12.812 1.00 7.34 C +ATOM 157 CD2 LEU A 65 4.659 14.944 13.972 1.00 6.44 C +ATOM 158 N LEU A 66 3.921 9.585 14.298 1.00 4.99 N +ATOM 159 CA LEU A 66 3.095 8.438 13.895 1.00 5.45 C +ATOM 160 C LEU A 66 1.886 8.316 14.826 1.00 4.68 C +ATOM 161 O LEU A 66 0.744 8.156 14.366 1.00 5.54 O +ATOM 162 CB LEU A 66 3.924 7.160 13.897 1.00 5.31 C +ATOM 163 CG LEU A 66 4.971 7.054 12.790 1.00 6.80 C +ATOM 164 CD1 LEU A 66 5.862 5.868 13.076 1.00 9.09 C +ATOM 165 CD2 LEU A 66 4.326 6.906 11.416 1.00 10.32 C +ATOM 166 N GLN A 67 2.131 8.407 16.128 1.00 5.08 N +ATOM 167 CA GLN A 67 1.028 8.293 17.061 1.00 5.57 C +ATOM 168 C GLN A 67 0.059 9.471 16.967 1.00 5.59 C +ATOM 169 O GLN A 67 -1.165 9.299 17.019 1.00 5.94 O +ATOM 170 CB GLN A 67 1.542 8.144 18.484 1.00 5.96 C +ATOM 171 CG GLN A 67 0.402 7.953 19.483 1.00 7.92 C +ATOM 172 CD GLN A 67 0.875 7.416 20.803 1.00 8.32 C +ATOM 173 OE1 GLN A 67 1.371 6.304 20.874 1.00 8.89 O +ATOM 174 NE2 GLN A 67 0.742 8.211 21.859 1.00 10.42 N +ATOM 175 N GLY A 68 0.595 10.681 16.839 1.00 5.90 N +ATOM 176 CA GLY A 68 -0.239 11.875 16.724 1.00 5.84 C +ATOM 177 C GLY A 68 -1.116 11.807 15.500 1.00 5.51 C +ATOM 178 O GLY A 68 -2.289 12.189 15.546 1.00 6.67 O +ATOM 187 N ALA A 70 -2.093 9.013 14.032 1.00 5.81 N +ATOM 188 CA ALA A 70 -3.110 7.979 14.322 1.00 6.38 C +ATOM 189 C ALA A 70 -4.320 8.604 15.009 1.00 7.15 C +ATOM 190 O ALA A 70 -5.474 8.379 14.612 1.00 7.61 O +ATOM 191 CB ALA A 70 -2.511 6.880 15.204 1.00 6.06 C +ATOM 192 N VAL A 71 -4.056 9.414 16.024 1.00 7.59 N +ATOM 193 CA VAL A 71 -5.120 10.032 16.801 1.00 8.74 C +ATOM 194 C VAL A 71 -5.854 11.087 15.950 1.00 8.94 C +ATOM 195 O VAL A 71 -7.089 11.151 15.917 1.00 9.19 O +ATOM 196 CB VAL A 71 -4.547 10.599 18.117 1.00 10.10 C +ATOM 197 CG1 VAL A 71 -5.619 11.374 18.887 1.00 11.79 C +ATOM 198 CG2 VAL A 71 -3.983 9.463 18.954 1.00 9.20 C +ATOM 199 N LEU A 72 -5.101 11.877 15.199 1.00 9.46 N +ATOM 200 CA LEU A 72 -5.690 12.813 14.258 1.00 11.07 C +ATOM 201 C LEU A 72 -6.627 12.121 13.255 1.00 12.04 C +ATOM 202 O LEU A 72 -7.729 12.630 12.948 1.00 13.44 O +ATOM 203 CB LEU A 72 -4.554 13.547 13.546 1.00 11.50 C +ATOM 204 CG LEU A 72 -4.923 14.611 12.541 1.00 12.34 C +ATOM 205 CD1 LEU A 72 -5.574 15.750 13.297 1.00 15.12 C +ATOM 206 CD2 LEU A 72 -3.692 15.094 11.802 1.00 13.76 C +ATOM 207 N ALA A 73 -6.201 10.969 12.743 1.00 12.32 N +ATOM 208 CA ALA A 73 -6.994 10.235 11.757 1.00 13.25 C +ATOM 209 C ALA A 73 -8.257 9.632 12.373 1.00 13.76 C +ATOM 210 O ALA A 73 -9.287 9.492 11.687 1.00 15.40 O +ATOM 211 CB ALA A 73 -6.175 9.145 11.108 1.00 13.05 C +ATOM 212 N LYS A 74 -8.183 9.247 13.645 1.00 13.56 N +ATOM 213 CA LYS A 74 -9.354 8.730 14.354 1.00 14.51 C +ATOM 214 C LYS A 74 -10.361 9.846 14.616 1.00 15.87 C +ATOM 215 O LYS A 74 -11.565 9.659 14.419 1.00 16.77 O +ATOM 216 CB LYS A 74 -8.925 8.074 15.669 1.00 14.55 C +ATOM 217 CG LYS A 74 -10.088 7.480 16.517 1.00 16.68 C +ATOM 218 CD LYS A 74 -10.763 6.267 15.869 1.00 20.04 C +ATOM 219 CE LYS A 74 -11.877 5.709 16.756 1.00 22.44 C +ATOM 220 NZ LYS A 74 -13.095 6.569 16.765 1.00 24.93 N +ATOM 221 N GLU A 75 -9.877 11.007 15.042 1.00 16.75 N +ATOM 222 CA GLU A 75 -10.753 12.064 15.539 1.00 18.69 C +ATOM 223 C GLU A 75 -11.224 13.061 14.476 1.00 19.15 C +ATOM 224 O GLU A 75 -12.319 13.617 14.602 1.00 19.18 O +ATOM 225 CB GLU A 75 -10.110 12.752 16.737 1.00 19.75 C +ATOM 226 CG GLU A 75 -9.925 11.782 17.905 1.00 22.71 C +ATOM 227 CD GLU A 75 -9.645 12.463 19.227 1.00 26.65 C +ATOM 228 OE1 GLU A 75 -9.847 13.694 19.331 1.00 28.32 O +ATOM 229 OE2 GLU A 75 -9.235 11.755 20.172 1.00 27.97 O +ATOM 230 N ARG A 76 -10.430 13.247 13.422 1.00 19.53 N +ATOM 231 CA ARG A 76 -10.787 14.099 12.275 1.00 20.34 C +ATOM 232 C ARG A 76 -11.283 15.494 12.723 1.00 20.53 C +ATOM 233 O ARG A 76 -12.367 15.938 12.330 1.00 20.36 O +ATOM 234 CB ARG A 76 -11.800 13.394 11.333 1.00 20.66 C +ATOM 235 CG ARG A 76 -11.506 11.917 11.002 1.00 21.52 C +ATOM 236 CD ARG A 76 -10.603 11.696 9.775 1.00 21.18 C +ATOM 237 NE ARG A 76 -11.150 12.294 8.551 1.00 22.23 N +ATOM 238 CZ ARG A 76 -11.014 11.799 7.323 1.00 20.02 C +ATOM 239 NH1 ARG A 76 -10.370 10.655 7.108 1.00 19.02 N +ATOM 240 NH2 ARG A 76 -11.550 12.448 6.294 1.00 20.22 N +ATOM 241 N PRO A 77 -10.473 16.197 13.539 1.00 20.78 N +ATOM 242 CA PRO A 77 -10.874 17.483 14.112 1.00 20.97 C +ATOM 243 C PRO A 77 -10.891 18.613 13.070 1.00 20.86 C +ATOM 244 O PRO A 77 -10.282 18.479 12.003 1.00 21.31 O +ATOM 245 CB PRO A 77 -9.792 17.737 15.168 1.00 21.01 C +ATOM 246 CG PRO A 77 -8.583 17.103 14.604 1.00 21.05 C +ATOM 247 CD PRO A 77 -9.064 15.879 13.856 1.00 20.45 C +ATOM 248 N PRO A 78 -11.595 19.721 13.371 1.00 21.31 N +ATOM 249 CA PRO A 78 -11.714 20.819 12.403 1.00 21.03 C +ATOM 250 C PRO A 78 -10.403 21.579 12.179 1.00 20.54 C +ATOM 251 O PRO A 78 -10.234 22.228 11.150 1.00 21.20 O +ATOM 252 CB PRO A 78 -12.760 21.740 13.046 1.00 21.37 C +ATOM 253 CG PRO A 78 -12.644 21.477 14.519 1.00 21.09 C +ATOM 254 CD PRO A 78 -12.290 20.016 14.642 1.00 21.57 C +ATOM 255 N ASN A 79 -9.479 21.471 13.131 1.00 19.44 N +ATOM 256 CA ASN A 79 -8.221 22.208 13.108 1.00 18.32 C +ATOM 257 C ASN A 79 -7.037 21.239 13.197 1.00 16.57 C +ATOM 258 O ASN A 79 -6.354 21.202 14.217 1.00 15.62 O +ATOM 259 CB ASN A 79 -8.179 23.154 14.304 1.00 19.01 C +ATOM 260 CG ASN A 79 -8.311 22.412 15.637 1.00 21.27 C +ATOM 261 OD1 ASN A 79 -8.981 21.372 15.731 1.00 23.70 O +ATOM 262 ND2 ASN A 79 -7.654 22.937 16.669 1.00 24.00 N +ATOM 263 N PRO A 80 -6.797 20.456 12.132 1.00 15.19 N +ATOM 264 CA PRO A 80 -5.841 19.347 12.244 1.00 14.00 C +ATOM 265 C PRO A 80 -4.402 19.761 12.628 1.00 12.94 C +ATOM 266 O PRO A 80 -3.769 19.085 13.450 1.00 11.69 O +ATOM 267 CB PRO A 80 -5.887 18.695 10.854 1.00 13.97 C +ATOM 268 CG PRO A 80 -6.493 19.714 9.953 1.00 15.70 C +ATOM 269 CD PRO A 80 -7.448 20.480 10.810 1.00 15.75 C +ATOM 270 N ILE A 81 -3.881 20.856 12.063 1.00 11.51 N +ATOM 271 CA ILE A 81 -2.497 21.236 12.371 1.00 10.87 C +ATOM 272 C ILE A 81 -2.354 21.658 13.827 1.00 10.93 C +ATOM 273 O ILE A 81 -1.437 21.225 14.524 1.00 10.78 O +ATOM 274 CB ILE A 81 -1.966 22.345 11.459 1.00 10.90 C +ATOM 275 CG1 ILE A 81 -1.923 21.870 10.008 1.00 10.78 C +ATOM 276 CG2 ILE A 81 -0.576 22.775 11.945 1.00 11.31 C +ATOM 277 CD1 ILE A 81 -1.622 22.969 8.999 1.00 10.15 C +ATOM 278 N GLU A 82 -3.281 22.492 14.279 1.00 11.75 N +ATOM 279 CA GLU A 82 -3.323 22.898 15.665 1.00 12.58 C +ATOM 280 C GLU A 82 -3.494 21.702 16.614 1.00 12.09 C +ATOM 281 O GLU A 82 -2.809 21.605 17.633 1.00 12.66 O +ATOM 282 CB GLU A 82 -4.434 23.930 15.869 1.00 13.35 C +ATOM 283 CG GLU A 82 -4.415 24.562 17.231 1.00 16.54 C +ATOM 284 CD GLU A 82 -5.432 25.673 17.362 1.00 21.19 C +ATOM 285 OE1 GLU A 82 -6.320 25.780 16.484 1.00 23.83 O +ATOM 286 OE2 GLU A 82 -5.339 26.439 18.343 1.00 24.57 O +ATOM 287 N PHE A 83 -4.423 20.814 16.275 1.00 11.59 N +ATOM 288 CA PHE A 83 -4.643 19.593 17.031 1.00 11.14 C +ATOM 289 C PHE A 83 -3.331 18.804 17.156 1.00 9.66 C +ATOM 290 O PHE A 83 -2.975 18.360 18.248 1.00 9.76 O +ATOM 291 CB PHE A 83 -5.713 18.723 16.354 1.00 11.73 C +ATOM 292 CG PHE A 83 -6.027 17.453 17.105 1.00 12.95 C +ATOM 293 CD1 PHE A 83 -7.143 17.385 17.946 1.00 15.60 C +ATOM 294 CD2 PHE A 83 -5.211 16.325 16.978 1.00 14.57 C +ATOM 295 CE1 PHE A 83 -7.447 16.207 18.639 1.00 16.44 C +ATOM 296 CE2 PHE A 83 -5.500 15.146 17.672 1.00 16.49 C +ATOM 297 CZ PHE A 83 -6.616 15.081 18.498 1.00 17.13 C +ATOM 298 N LEU A 84 -2.637 18.631 16.037 1.00 9.19 N +ATOM 299 CA LEU A 84 -1.382 17.874 16.078 1.00 9.30 C +ATOM 300 C LEU A 84 -0.313 18.538 16.956 1.00 8.94 C +ATOM 301 O LEU A 84 0.389 17.873 17.724 1.00 9.72 O +ATOM 302 CB LEU A 84 -0.852 17.622 14.673 1.00 9.60 C +ATOM 303 CG LEU A 84 0.397 16.737 14.555 1.00 9.77 C +ATOM 304 CD1 LEU A 84 0.168 15.348 15.170 1.00 10.05 C +ATOM 305 CD2 LEU A 84 0.783 16.626 13.111 1.00 12.52 C +ATOM 306 N ALA A 85 -0.198 19.859 16.848 1.00 9.86 N +ATOM 307 CA ALA A 85 0.738 20.601 17.689 1.00 10.46 C +ATOM 308 C ALA A 85 0.441 20.436 19.171 1.00 10.66 C +ATOM 309 O ALA A 85 1.345 20.166 19.968 1.00 10.28 O +ATOM 310 CB ALA A 85 0.740 22.052 17.297 1.00 10.84 C +ATOM 311 N SER A 86 -0.828 20.587 19.540 1.00 11.49 N +ATOM 312 CA SER A 86 -1.248 20.356 20.920 1.00 12.38 C +ATOM 313 C SER A 86 -0.964 18.929 21.384 1.00 11.64 C +ATOM 314 O SER A 86 -0.541 18.709 22.524 1.00 11.35 O +ATOM 315 CB SER A 86 -2.740 20.658 21.081 1.00 12.96 C +ATOM 316 OG SER A 86 -3.024 22.001 20.706 1.00 18.05 O +ATOM 317 N TYR A 87 -1.186 17.966 20.487 1.00 10.58 N +ATOM 318 CA TYR A 87 -0.945 16.554 20.792 1.00 10.46 C +ATOM 319 C TYR A 87 0.520 16.316 21.124 1.00 9.93 C +ATOM 320 O TYR A 87 0.848 15.625 22.101 1.00 9.35 O +ATOM 321 CB TYR A 87 -1.372 15.654 19.629 1.00 11.11 C +ATOM 322 CG TYR A 87 -1.355 14.204 20.055 1.00 10.92 C +ATOM 323 CD1 TYR A 87 -2.503 13.601 20.581 1.00 11.00 C +ATOM 324 CD2 TYR A 87 -0.180 13.461 20.001 1.00 10.64 C +ATOM 325 CE1 TYR A 87 -2.464 12.277 21.040 1.00 11.58 C +ATOM 326 CE2 TYR A 87 -0.126 12.156 20.438 1.00 10.17 C +ATOM 327 CZ TYR A 87 -1.268 11.565 20.954 1.00 10.50 C +ATOM 328 OH TYR A 87 -1.165 10.262 21.389 1.00 11.83 O +ATOM 329 N LEU A 88 1.403 16.904 20.317 1.00 9.67 N +ATOM 330 CA LEU A 88 2.830 16.771 20.543 1.00 10.08 C +ATOM 331 C LEU A 88 3.240 17.321 21.902 1.00 10.58 C +ATOM 332 O LEU A 88 3.977 16.687 22.655 1.00 11.06 O +ATOM 333 CB LEU A 88 3.646 17.406 19.411 1.00 9.37 C +ATOM 334 CG LEU A 88 4.163 16.387 18.367 1.00 11.59 C +ATOM 335 CD1 LEU A 88 3.059 15.576 17.681 1.00 13.36 C +ATOM 336 CD2 LEU A 88 5.088 17.062 17.353 1.00 14.61 C +ATOM 337 N LEU A 89 2.724 18.502 22.234 1.00 11.90 N +ATOM 338 CA LEU A 89 3.066 19.120 23.514 1.00 13.68 C +ATOM 339 C LEU A 89 2.544 18.311 24.692 1.00 14.61 C +ATOM 340 O LEU A 89 3.234 18.153 25.697 1.00 15.84 O +ATOM 341 CB LEU A 89 2.580 20.573 23.568 1.00 14.50 C +ATOM 342 CG LEU A 89 3.216 21.492 22.523 1.00 16.51 C +ATOM 343 CD1 LEU A 89 2.468 22.811 22.435 1.00 19.81 C +ATOM 344 CD2 LEU A 89 4.684 21.731 22.788 1.00 17.72 C +ATOM 345 N LYS A 90 1.332 17.784 24.557 1.00 14.99 N +ATOM 346 CA LYS A 90 0.709 17.009 25.629 1.00 15.89 C +ATOM 347 C LYS A 90 1.400 15.659 25.866 1.00 15.57 C +ATOM 348 O LYS A 90 1.508 15.197 27.009 1.00 16.75 O +ATOM 349 CB LYS A 90 -0.790 16.811 25.350 1.00 16.53 C +ATOM 350 CG LYS A 90 -1.526 16.038 26.449 1.00 18.95 C +ATOM 351 CD LYS A 90 -3.035 16.084 26.277 1.00 23.50 C +ATOM 352 CE LYS A 90 -3.730 15.228 27.328 1.00 25.61 C +ATOM 353 NZ LYS A 90 -3.599 13.770 27.046 1.00 27.55 N +ATOM 354 N ASN A 91 1.873 15.029 24.790 1.00 14.37 N +ATOM 355 CA ASN A 91 2.313 13.641 24.847 1.00 13.45 C +ATOM 356 C ASN A 91 3.804 13.414 24.710 1.00 13.28 C +ATOM 357 O ASN A 91 4.262 12.273 24.578 1.00 12.55 O +ATOM 358 CB ASN A 91 1.572 12.835 23.779 1.00 12.57 C +ATOM 359 CG ASN A 91 0.132 12.637 24.123 1.00 14.74 C +ATOM 360 OD1 ASN A 91 -0.202 11.729 24.888 1.00 17.06 O +ATOM 361 ND2 ASN A 91 -0.741 13.481 23.570 1.00 13.77 N +ATOM 362 N LYS A 92 4.567 14.499 24.769 1.00 13.14 N +ATOM 363 CA LYS A 92 6.006 14.437 24.511 1.00 13.94 C +ATOM 364 C LYS A 92 6.769 13.519 25.470 1.00 14.40 C +ATOM 365 O LYS A 92 7.714 12.850 25.057 1.00 14.30 O +ATOM 366 CB LYS A 92 6.615 15.842 24.489 1.00 14.04 C +ATOM 367 CG LYS A 92 6.448 16.614 25.783 1.00 15.66 C +ATOM 368 CD LYS A 92 7.053 18.011 25.689 1.00 17.93 C +ATOM 369 CE LYS A 92 7.019 18.689 27.066 1.00 19.94 C +ATOM 370 NZ LYS A 92 8.043 19.759 27.175 1.00 20.58 N +ATOM 371 N ALA A 93 6.337 13.458 26.732 1.00 15.29 N +ATOM 372 CA ALA A 93 7.006 12.605 27.730 1.00 15.65 C +ATOM 373 C ALA A 93 7.073 11.128 27.334 1.00 15.77 C +ATOM 374 O ALA A 93 8.054 10.446 27.643 1.00 17.20 O +ATOM 375 CB ALA A 93 6.359 12.750 29.098 1.00 16.22 C +ATOM 376 N GLN A 94 6.045 10.641 26.637 1.00 15.35 N +ATOM 377 CA GLN A 94 6.029 9.249 26.150 1.00 15.50 C +ATOM 378 C GLN A 94 7.129 8.954 25.131 1.00 14.91 C +ATOM 379 O GLN A 94 7.511 7.800 24.945 1.00 15.12 O +ATOM 380 CB GLN A 94 4.684 8.901 25.506 1.00 16.45 C +ATOM 381 CG GLN A 94 3.466 9.034 26.393 1.00 19.36 C +ATOM 382 CD GLN A 94 2.173 8.916 25.603 1.00 22.08 C +ATOM 383 OE1 GLN A 94 2.062 8.092 24.674 1.00 22.53 O +ATOM 384 NE2 GLN A 94 1.189 9.747 25.956 1.00 22.49 N +ATOM 385 N PHE A 95 7.615 9.994 24.458 1.00 13.33 N +ATOM 386 CA PHE A 95 8.539 9.826 23.334 1.00 13.74 C +ATOM 387 C PHE A 95 9.915 10.441 23.561 1.00 16.07 C +ATOM 388 O PHE A 95 10.761 10.455 22.670 1.00 16.34 O +ATOM 389 CB PHE A 95 7.859 10.264 22.033 1.00 11.93 C +ATOM 390 CG PHE A 95 6.707 9.364 21.655 1.00 10.21 C +ATOM 391 CD1 PHE A 95 6.934 8.188 20.972 1.00 9.01 C +ATOM 392 CD2 PHE A 95 5.410 9.674 22.046 1.00 8.40 C +ATOM 393 CE1 PHE A 95 5.869 7.342 20.642 1.00 10.72 C +ATOM 394 CE2 PHE A 95 4.332 8.833 21.725 1.00 10.44 C +ATOM 395 CZ PHE A 95 4.562 7.666 21.029 1.00 10.14 C +ATOM 396 N GLU A 96 10.080 10.934 24.790 1.00 18.77 N +ATOM 397 CA GLU A 96 11.343 11.256 25.482 1.00 22.26 C +ATOM 398 C GLU A 96 11.607 12.753 25.720 1.00 23.57 C +ATOM 399 O GLU A 96 12.603 13.110 26.360 1.00 24.84 O +ATOM 400 CB GLU A 96 12.569 10.447 24.993 1.00 22.93 C +ATOM 401 CG GLU A 96 13.757 10.506 25.970 1.00 25.08 C +ATOM 402 CD GLU A 96 14.745 9.357 25.851 1.00 28.72 C +ATOM 403 OE1 GLU A 96 15.349 9.175 24.769 1.00 30.47 O +ATOM 404 OE2 GLU A 96 14.950 8.656 26.870 1.00 29.71 O +ATOM 405 N ASP A 97 10.711 13.624 25.246 1.00 24.68 N +ATOM 406 CA ASP A 97 10.720 15.023 25.698 1.00 26.46 C +ATOM 407 C ASP A 97 9.874 15.181 26.944 1.00 26.29 C +ATOM 408 O ASP A 97 9.252 16.216 27.144 1.00 27.95 O +ATOM 409 CB ASP A 97 10.285 16.008 24.602 1.00 26.58 C +ATOM 410 CG ASP A 97 11.165 15.922 23.369 1.00 28.85 C +ATOM 411 OD1 ASP A 97 11.382 14.779 22.897 1.00 32.92 O +ATOM 412 OD2 ASP A 97 11.637 16.963 22.854 1.00 27.60 O +ATOM 414 N VAL C 46 -10.590 19.764 -1.304 1.00 33.15 N +ATOM 415 CA VAL C 46 -11.695 20.652 -0.832 1.00 33.20 C +ATOM 416 C VAL C 46 -12.583 19.900 0.164 1.00 32.97 C +ATOM 417 O VAL C 46 -12.641 20.265 1.341 1.00 32.92 O +ATOM 418 CB VAL C 46 -12.510 21.255 -2.020 1.00 33.49 C +ATOM 419 CG1 VAL C 46 -13.827 21.866 -1.544 1.00 33.71 C +ATOM 420 CG2 VAL C 46 -11.686 22.306 -2.746 1.00 33.44 C +ATOM 421 N ASP C 47 -13.251 18.848 -0.310 1.00 32.67 N +ATOM 422 CA ASP C 47 -14.081 18.007 0.548 1.00 32.29 C +ATOM 423 C ASP C 47 -13.218 16.968 1.264 1.00 31.70 C +ATOM 424 O ASP C 47 -13.021 15.850 0.770 1.00 31.46 O +ATOM 425 CB ASP C 47 -15.203 17.336 -0.255 1.00 32.64 C +ATOM 426 CG ASP C 47 -16.124 16.481 0.611 1.00 33.67 C +ATOM 427 OD1 ASP C 47 -16.193 16.709 1.842 1.00 34.44 O +ATOM 428 OD2 ASP C 47 -16.787 15.577 0.054 1.00 35.15 O +ATOM 429 N LEU C 48 -12.710 17.359 2.433 1.00 30.82 N +ATOM 430 CA LEU C 48 -11.852 16.501 3.255 1.00 30.14 C +ATOM 431 C LEU C 48 -12.565 15.237 3.735 1.00 29.56 C +ATOM 432 O LEU C 48 -11.920 14.202 3.949 1.00 28.96 O +ATOM 433 CB LEU C 48 -11.313 17.279 4.459 1.00 30.33 C +ATOM 434 CG LEU C 48 -10.316 18.426 4.253 1.00 30.57 C +ATOM 435 CD1 LEU C 48 -9.992 19.047 5.596 1.00 30.75 C +ATOM 436 CD2 LEU C 48 -9.042 17.964 3.555 1.00 29.69 C +ATOM 437 N GLN C 49 -13.888 15.331 3.901 1.00 28.73 N +ATOM 438 CA GLN C 49 -14.716 14.210 4.363 1.00 28.02 C +ATOM 439 C GLN C 49 -14.688 13.026 3.391 1.00 26.58 C +ATOM 440 O GLN C 49 -14.907 11.882 3.792 1.00 26.55 O +ATOM 441 CB GLN C 49 -16.158 14.664 4.613 1.00 28.67 C +ATOM 442 CG GLN C 49 -16.290 15.795 5.635 1.00 31.00 C +ATOM 443 CD GLN C 49 -17.733 16.206 5.891 1.00 34.25 C +ATOM 444 OE1 GLN C 49 -18.564 16.227 4.976 1.00 36.35 O +ATOM 445 NE2 GLN C 49 -18.036 16.544 7.142 1.00 35.03 N +ATOM 446 N SER C 50 -14.398 13.302 2.121 1.00 24.76 N +ATOM 447 CA SER C 50 -14.266 12.251 1.117 1.00 23.28 C +ATOM 448 C SER C 50 -12.885 11.578 1.102 1.00 21.57 C +ATOM 449 O SER C 50 -12.677 10.624 0.345 1.00 21.42 O +ATOM 450 CB SER C 50 -14.596 12.795 -0.280 1.00 23.56 C +ATOM 451 OG SER C 50 -13.589 13.681 -0.753 1.00 24.33 O +ATOM 452 N LEU C 51 -11.951 12.072 1.920 1.00 19.57 N +ATOM 453 CA LEU C 51 -10.577 11.562 1.909 1.00 17.51 C +ATOM 454 C LEU C 51 -10.343 10.534 3.016 1.00 15.45 C +ATOM 455 O LEU C 51 -10.506 10.838 4.205 1.00 15.67 O +ATOM 456 CB LEU C 51 -9.556 12.706 2.000 1.00 17.88 C +ATOM 457 CG LEU C 51 -9.631 13.785 0.901 1.00 17.95 C +ATOM 458 CD1 LEU C 51 -8.628 14.899 1.187 1.00 18.81 C +ATOM 459 CD2 LEU C 51 -9.416 13.209 -0.506 1.00 20.26 C +ATOM 460 N PRO C 52 -9.969 9.297 2.637 1.00 14.10 N +ATOM 461 CA PRO C 52 -9.612 8.314 3.673 1.00 12.46 C +ATOM 462 C PRO C 52 -8.313 8.692 4.417 1.00 11.15 C +ATOM 463 O PRO C 52 -7.578 9.565 3.955 1.00 11.61 O +ATOM 464 CB PRO C 52 -9.452 7.003 2.878 1.00 12.37 C +ATOM 465 CG PRO C 52 -10.130 7.269 1.543 1.00 13.76 C +ATOM 466 CD PRO C 52 -9.885 8.718 1.286 1.00 13.70 C +ATOM 467 N THR C 53 -8.050 8.025 5.546 1.00 9.80 N +ATOM 468 CA THR C 53 -6.916 8.314 6.435 1.00 8.51 C +ATOM 469 C THR C 53 -5.680 8.849 5.748 1.00 8.95 C +ATOM 470 O THR C 53 -5.222 9.951 6.088 1.00 9.26 O +ATOM 471 CB THR C 53 -6.507 7.068 7.257 1.00 7.74 C +ATOM 472 OG1 THR C 53 -7.595 6.727 8.113 1.00 8.92 O +ATOM 473 CG2 THR C 53 -5.252 7.338 8.105 1.00 7.62 C +ATOM 474 N ARG C 54 -5.114 8.101 4.807 1.00 9.44 N +ATOM 475 CA ARG C 54 -3.844 8.513 4.195 1.00 10.42 C +ATOM 476 C ARG C 54 -3.981 9.787 3.364 1.00 11.21 C +ATOM 477 O ARG C 54 -3.190 10.723 3.537 1.00 11.16 O +ATOM 478 CB ARG C 54 -3.214 7.376 3.399 1.00 10.00 C +ATOM 479 CG ARG C 54 -2.621 6.295 4.306 1.00 10.31 C +ATOM 480 CD ARG C 54 -2.172 5.092 3.484 1.00 13.77 C +ATOM 481 NE ARG C 54 -3.317 4.316 2.999 1.00 16.28 N +ATOM 482 CZ ARG C 54 -3.258 3.139 2.362 1.00 19.16 C +ATOM 483 NH1 ARG C 54 -2.085 2.587 2.064 1.00 20.60 N +ATOM 484 NH2 ARG C 54 -4.386 2.522 1.994 1.00 22.25 N +ATOM 485 N ALA C 55 -4.994 9.858 2.504 1.00 12.26 N +ATOM 486 CA ALA C 55 -5.244 11.087 1.726 1.00 13.40 C +ATOM 487 C ALA C 55 -5.500 12.272 2.647 1.00 13.43 C +ATOM 488 O ALA C 55 -5.014 13.379 2.386 1.00 13.75 O +ATOM 489 CB ALA C 55 -6.418 10.897 0.785 1.00 13.87 C +ATOM 490 N TYR C 56 -6.274 12.042 3.707 1.00 12.52 N +ATOM 491 CA TYR C 56 -6.616 13.051 4.697 1.00 12.97 C +ATOM 492 C TYR C 56 -5.379 13.627 5.368 1.00 12.05 C +ATOM 493 O TYR C 56 -5.248 14.853 5.499 1.00 12.94 O +ATOM 494 CB TYR C 56 -7.565 12.478 5.750 1.00 12.85 C +ATOM 495 CG TYR C 56 -7.834 13.408 6.890 1.00 14.66 C +ATOM 496 CD1 TYR C 56 -8.716 14.480 6.740 1.00 15.71 C +ATOM 497 CD2 TYR C 56 -7.192 13.245 8.113 1.00 15.23 C +ATOM 498 CE1 TYR C 56 -8.960 15.347 7.781 1.00 16.57 C +ATOM 499 CE2 TYR C 56 -7.431 14.112 9.168 1.00 15.47 C +ATOM 500 CZ TYR C 56 -8.321 15.161 8.990 1.00 16.47 C +ATOM 501 OH TYR C 56 -8.560 16.024 10.028 1.00 18.39 O +ATOM 502 N LEU C 57 -4.488 12.744 5.817 1.00 10.81 N +ATOM 503 CA LEU C 57 -3.265 13.181 6.481 1.00 10.69 C +ATOM 504 C LEU C 57 -2.398 13.936 5.488 1.00 11.63 C +ATOM 505 O LEU C 57 -1.843 14.981 5.833 1.00 11.03 O +ATOM 506 CB LEU C 57 -2.521 11.986 7.085 1.00 10.29 C +ATOM 507 CG LEU C 57 -3.198 11.366 8.324 1.00 8.00 C +ATOM 508 CD1 LEU C 57 -2.534 10.023 8.700 1.00 10.96 C +ATOM 509 CD2 LEU C 57 -3.241 12.305 9.547 1.00 8.38 C +ATOM 510 N ASP C 58 -2.309 13.421 4.262 1.00 12.37 N +ATOM 511 CA ASP C 58 -1.504 14.005 3.198 1.00 14.15 C +ATOM 512 C ASP C 58 -1.960 15.413 2.879 1.00 14.20 C +ATOM 513 O ASP C 58 -1.142 16.264 2.535 1.00 15.51 O +ATOM 514 CB ASP C 58 -1.623 13.156 1.927 1.00 14.47 C +ATOM 515 CG ASP C 58 -0.855 11.840 2.014 1.00 19.27 C +ATOM 516 OD1 ASP C 58 0.165 11.749 2.738 1.00 21.72 O +ATOM 517 OD2 ASP C 58 -1.274 10.870 1.346 1.00 23.05 O +ATOM 518 N GLN C 59 -3.261 15.659 2.973 1.00 14.23 N +ATOM 519 CA GLN C 59 -3.813 16.947 2.571 1.00 15.36 C +ATOM 520 C GLN C 59 -3.682 17.957 3.713 1.00 14.98 C +ATOM 521 O GLN C 59 -3.402 19.137 3.470 1.00 15.99 O +ATOM 522 CB GLN C 59 -5.265 16.794 2.086 1.00 15.78 C +ATOM 523 CG GLN C 59 -5.971 18.111 1.689 1.00 19.37 C +ATOM 524 CD GLN C 59 -5.417 18.800 0.417 1.00 21.00 C +ATOM 525 OE1 GLN C 59 -4.424 18.365 -0.186 1.00 23.32 O +ATOM 526 NE2 GLN C 59 -6.071 19.893 0.019 1.00 22.72 N +ATOM 527 N THR C 60 -3.814 17.484 4.954 1.00 13.25 N +ATOM 528 CA THR C 60 -3.941 18.357 6.129 1.00 12.18 C +ATOM 529 C THR C 60 -2.630 18.679 6.857 1.00 11.16 C +ATOM 530 O THR C 60 -2.368 19.847 7.197 1.00 10.99 O +ATOM 531 CB THR C 60 -4.961 17.820 7.157 1.00 11.72 C +ATOM 532 OG1 THR C 60 -4.532 16.532 7.647 1.00 12.51 O +ATOM 533 CG2 THR C 60 -6.365 17.716 6.528 1.00 13.81 C +ATOM 534 N VAL C 61 -1.814 17.655 7.119 1.00 10.60 N +ATOM 535 CA VAL C 61 -0.610 17.830 7.939 1.00 10.02 C +ATOM 536 C VAL C 61 0.722 17.481 7.280 1.00 10.26 C +ATOM 537 O VAL C 61 1.749 18.005 7.697 1.00 9.46 O +ATOM 538 CB VAL C 61 -0.733 17.150 9.340 1.00 9.73 C +ATOM 539 CG1 VAL C 61 -1.897 17.766 10.148 1.00 10.12 C +ATOM 540 CG2 VAL C 61 -0.832 15.608 9.220 1.00 9.34 C +ATOM 541 N VAL C 62 0.738 16.623 6.259 1.00 9.82 N +ATOM 542 CA VAL C 62 2.033 16.219 5.693 1.00 9.85 C +ATOM 543 C VAL C 62 2.833 17.402 5.107 1.00 9.71 C +ATOM 544 O VAL C 62 4.034 17.494 5.345 1.00 9.51 O +ATOM 545 CB VAL C 62 1.950 15.012 4.707 1.00 9.80 C +ATOM 546 CG1 VAL C 62 3.280 14.780 4.010 1.00 12.10 C +ATOM 547 CG2 VAL C 62 1.548 13.745 5.477 1.00 10.49 C +ATOM 548 N PRO C 63 2.175 18.318 4.365 1.00 10.33 N +ATOM 549 CA PRO C 63 2.975 19.401 3.769 1.00 10.54 C +ATOM 550 C PRO C 63 3.707 20.242 4.817 1.00 9.86 C +ATOM 551 O PRO C 63 4.916 20.465 4.671 1.00 9.88 O +ATOM 552 CB PRO C 63 1.930 20.215 3.007 1.00 10.82 C +ATOM 553 CG PRO C 63 0.883 19.207 2.646 1.00 10.74 C +ATOM 554 CD PRO C 63 0.781 18.339 3.876 1.00 10.62 C +ATOM 555 N ILE C 64 3.010 20.668 5.867 1.00 8.74 N +ATOM 556 CA ILE C 64 3.665 21.483 6.887 1.00 8.88 C +ATOM 557 C ILE C 64 4.665 20.640 7.695 1.00 8.70 C +ATOM 558 O ILE C 64 5.683 21.152 8.155 1.00 8.73 O +ATOM 559 CB ILE C 64 2.657 22.192 7.813 1.00 8.87 C +ATOM 560 CG1 ILE C 64 3.405 23.244 8.641 1.00 9.75 C +ATOM 561 CG2 ILE C 64 1.928 21.198 8.708 1.00 9.00 C +ATOM 562 CD1 ILE C 64 2.508 24.143 9.462 1.00 10.92 C +ATOM 563 N LEU C 65 4.374 19.353 7.868 1.00 8.23 N +ATOM 564 CA LEU C 65 5.336 18.481 8.532 1.00 7.90 C +ATOM 565 C LEU C 65 6.631 18.366 7.754 1.00 8.54 C +ATOM 566 O LEU C 65 7.694 18.383 8.353 1.00 9.00 O +ATOM 567 CB LEU C 65 4.761 17.079 8.822 1.00 8.32 C +ATOM 568 CG LEU C 65 3.797 17.070 10.002 1.00 7.60 C +ATOM 569 CD1 LEU C 65 3.092 15.740 10.092 1.00 9.13 C +ATOM 570 CD2 LEU C 65 4.500 17.384 11.332 1.00 9.59 C +ATOM 571 N LEU C 66 6.569 18.243 6.427 1.00 8.57 N +ATOM 572 CA LEU C 66 7.793 18.136 5.635 1.00 9.95 C +ATOM 573 C LEU C 66 8.625 19.400 5.791 1.00 9.73 C +ATOM 574 O LEU C 66 9.848 19.352 5.947 1.00 9.80 O +ATOM 575 CB LEU C 66 7.462 17.865 4.159 1.00 10.74 C +ATOM 576 CG LEU C 66 7.004 16.445 3.798 1.00 12.21 C +ATOM 577 CD1 LEU C 66 6.538 16.363 2.343 1.00 14.90 C +ATOM 578 CD2 LEU C 66 8.109 15.422 4.056 1.00 14.09 C +ATOM 579 N GLN C 67 7.950 20.544 5.745 1.00 9.78 N +ATOM 580 CA GLN C 67 8.622 21.835 5.868 1.00 10.56 C +ATOM 581 C GLN C 67 9.246 22.017 7.265 1.00 9.44 C +ATOM 582 O GLN C 67 10.405 22.404 7.392 1.00 8.74 O +ATOM 583 CB GLN C 67 7.635 22.956 5.570 1.00 11.51 C +ATOM 584 CG GLN C 67 8.276 24.312 5.367 1.00 15.16 C +ATOM 585 CD GLN C 67 7.259 25.381 5.008 1.00 18.39 C +ATOM 586 OE1 GLN C 67 6.768 25.427 3.876 1.00 19.81 O +ATOM 587 NE2 GLN C 67 6.928 26.236 5.971 1.00 18.70 N +ATOM 588 N GLY C 68 8.474 21.714 8.304 1.00 8.14 N +ATOM 589 CA GLY C 68 8.925 21.837 9.688 1.00 7.74 C +ATOM 590 C GLY C 68 10.023 20.859 10.026 1.00 7.75 C +ATOM 591 O GLY C 68 10.970 21.196 10.727 1.00 7.99 O +ATOM 600 N ALA C 70 12.201 19.689 7.877 1.00 8.47 N +ATOM 601 CA ALA C 70 13.431 20.143 7.232 1.00 9.40 C +ATOM 602 C ALA C 70 14.107 21.213 8.077 1.00 9.10 C +ATOM 603 O ALA C 70 15.313 21.179 8.259 1.00 10.24 O +ATOM 604 CB ALA C 70 13.148 20.640 5.822 1.00 10.03 C +ATOM 605 N VAL C 71 13.320 22.139 8.609 1.00 8.55 N +ATOM 606 CA VAL C 71 13.863 23.178 9.479 1.00 9.49 C +ATOM 607 C VAL C 71 14.446 22.539 10.746 1.00 9.10 C +ATOM 608 O VAL C 71 15.580 22.830 11.124 1.00 9.49 O +ATOM 609 CB VAL C 71 12.811 24.243 9.838 1.00 10.17 C +ATOM 610 CG1 VAL C 71 13.377 25.192 10.886 1.00 10.73 C +ATOM 611 CG2 VAL C 71 12.393 25.022 8.590 1.00 11.82 C +ATOM 612 N LEU C 72 13.691 21.626 11.368 1.00 8.53 N +ATOM 613 CA LEU C 72 14.165 20.941 12.537 1.00 8.42 C +ATOM 614 C LEU C 72 15.506 20.242 12.300 1.00 8.33 C +ATOM 615 O LEU C 72 16.406 20.283 13.139 1.00 8.57 O +ATOM 616 CB LEU C 72 13.104 19.937 12.982 1.00 8.47 C +ATOM 617 CG LEU C 72 13.453 19.047 14.170 1.00 8.44 C +ATOM 618 CD1 LEU C 72 13.605 19.826 15.454 1.00 11.19 C +ATOM 619 CD2 LEU C 72 12.383 18.004 14.343 1.00 9.27 C +ATOM 620 N ALA C 73 15.624 19.559 11.168 1.00 8.80 N +ATOM 621 CA ALA C 73 16.857 18.822 10.886 1.00 9.84 C +ATOM 622 C ALA C 73 18.042 19.746 10.631 1.00 11.16 C +ATOM 623 O ALA C 73 19.187 19.317 10.770 1.00 11.45 O +ATOM 624 CB ALA C 73 16.672 17.867 9.716 1.00 9.79 C +ATOM 625 N LYS C 74 17.766 20.993 10.256 1.00 12.45 N +ATOM 626 CA LYS C 74 18.816 21.991 10.050 1.00 13.98 C +ATOM 627 C LYS C 74 19.205 22.654 11.378 1.00 14.44 C +ATOM 628 O LYS C 74 20.390 22.919 11.622 1.00 15.92 O +ATOM 629 CB LYS C 74 18.336 23.014 9.022 1.00 14.15 C +ATOM 630 CG LYS C 74 18.279 22.442 7.612 1.00 16.25 C +ATOM 631 CD LYS C 74 17.658 23.398 6.630 1.00 20.22 C +ATOM 632 CE LYS C 74 17.593 22.788 5.235 1.00 22.31 C +ATOM 633 NZ LYS C 74 16.336 22.051 4.950 1.00 26.12 N +ATOM 634 N GLU C 75 18.217 22.903 12.235 1.00 13.96 N +ATOM 635 CA GLU C 75 18.428 23.597 13.510 1.00 14.18 C +ATOM 636 C GLU C 75 18.936 22.666 14.601 1.00 13.44 C +ATOM 637 O GLU C 75 19.749 23.075 15.438 1.00 14.24 O +ATOM 638 CB GLU C 75 17.137 24.265 13.989 1.00 14.55 C +ATOM 639 CG GLU C 75 16.591 25.372 13.085 1.00 18.20 C +ATOM 640 CD GLU C 75 17.282 26.707 13.295 1.00 21.75 C +ATOM 641 OE1 GLU C 75 17.580 27.057 14.462 1.00 24.44 O +ATOM 642 OE2 GLU C 75 17.529 27.406 12.288 1.00 23.87 O +ATOM 643 N ARG C 76 18.426 21.429 14.614 1.00 12.29 N +ATOM 644 CA ARG C 76 18.746 20.425 15.650 1.00 11.69 C +ATOM 645 C ARG C 76 18.783 21.017 17.054 1.00 12.12 C +ATOM 646 O ARG C 76 19.805 20.963 17.750 1.00 12.30 O +ATOM 647 CB ARG C 76 20.013 19.648 15.303 1.00 11.86 C +ATOM 648 CG ARG C 76 19.833 18.967 13.962 1.00 11.04 C +ATOM 649 CD ARG C 76 20.832 17.894 13.708 1.00 10.10 C +ATOM 650 NE ARG C 76 20.734 17.428 12.330 1.00 9.42 N +ATOM 651 CZ ARG C 76 21.231 16.276 11.902 1.00 8.13 C +ATOM 652 NH1 ARG C 76 21.850 15.457 12.752 1.00 8.98 N +ATOM 653 NH2 ARG C 76 21.123 15.948 10.620 1.00 9.40 N +ATOM 654 N PRO C 77 17.651 21.583 17.481 1.00 11.53 N +ATOM 655 CA PRO C 77 17.544 22.341 18.709 1.00 11.58 C +ATOM 656 C PRO C 77 17.471 21.429 19.948 1.00 11.80 C +ATOM 657 O PRO C 77 17.245 20.217 19.824 1.00 11.67 O +ATOM 658 CB PRO C 77 16.227 23.085 18.501 1.00 11.64 C +ATOM 659 CG PRO C 77 15.401 22.098 17.767 1.00 11.68 C +ATOM 660 CD PRO C 77 16.348 21.471 16.797 1.00 11.61 C +ATOM 661 N PRO C 78 17.654 22.005 21.151 1.00 12.24 N +ATOM 662 CA PRO C 78 17.639 21.194 22.365 1.00 12.18 C +ATOM 663 C PRO C 78 16.332 20.470 22.676 1.00 11.24 C +ATOM 664 O PRO C 78 16.361 19.433 23.326 1.00 12.51 O +ATOM 665 CB PRO C 78 17.991 22.202 23.470 1.00 12.71 C +ATOM 666 CG PRO C 78 18.805 23.214 22.763 1.00 13.80 C +ATOM 667 CD PRO C 78 18.192 23.356 21.405 1.00 12.96 C +ATOM 668 N ASN C 79 15.202 20.995 22.216 1.00 9.40 N +ATOM 669 CA ASN C 79 13.920 20.326 22.438 1.00 8.63 C +ATOM 670 C ASN C 79 13.168 20.135 21.125 1.00 7.95 C +ATOM 671 O ASN C 79 12.354 20.975 20.738 1.00 8.04 O +ATOM 672 CB ASN C 79 13.061 21.059 23.484 1.00 9.74 C +ATOM 673 CG ASN C 79 11.952 20.171 24.034 1.00 9.97 C +ATOM 674 OD1 ASN C 79 11.297 19.422 23.280 1.00 9.65 O +ATOM 675 ND2 ASN C 79 11.771 20.193 25.349 1.00 10.72 N +ATOM 676 N PRO C 80 13.458 19.021 20.416 1.00 7.75 N +ATOM 677 CA PRO C 80 12.937 18.867 19.052 1.00 7.22 C +ATOM 678 C PRO C 80 11.433 18.804 18.993 1.00 6.82 C +ATOM 679 O PRO C 80 10.850 19.370 18.067 1.00 6.44 O +ATOM 680 CB PRO C 80 13.517 17.537 18.579 1.00 8.14 C +ATOM 681 CG PRO C 80 14.650 17.260 19.460 1.00 11.08 C +ATOM 682 CD PRO C 80 14.481 18.010 20.738 1.00 8.17 C +ATOM 683 N ILE C 81 10.806 18.130 19.950 1.00 6.69 N +ATOM 684 CA ILE C 81 9.349 18.031 19.924 1.00 7.97 C +ATOM 685 C ILE C 81 8.676 19.386 20.150 1.00 7.61 C +ATOM 686 O ILE C 81 7.761 19.744 19.403 1.00 7.48 O +ATOM 687 CB ILE C 81 8.808 16.917 20.868 1.00 8.11 C +ATOM 688 CG1 ILE C 81 9.296 15.538 20.385 1.00 7.45 C +ATOM 689 CG2 ILE C 81 7.281 16.960 20.941 1.00 8.67 C +ATOM 690 CD1 ILE C 81 9.040 14.374 21.385 1.00 9.27 C +ATOM 691 N GLU C 82 9.125 20.128 21.159 1.00 7.88 N +ATOM 692 CA GLU C 82 8.602 21.468 21.412 1.00 9.29 C +ATOM 693 C GLU C 82 8.859 22.383 20.223 1.00 8.35 C +ATOM 694 O GLU C 82 7.983 23.170 19.824 1.00 8.26 O +ATOM 695 CB GLU C 82 9.243 22.052 22.670 1.00 9.96 C +ATOM 696 CG GLU C 82 8.773 21.460 24.008 1.00 13.78 C +ATOM 697 CD GLU C 82 7.527 22.139 24.560 1.00 19.54 C +ATOM 698 OE1 GLU C 82 7.216 23.280 24.143 1.00 21.12 O +ATOM 699 OE2 GLU C 82 6.847 21.522 25.412 1.00 21.94 O +ATOM 700 N PHE C 83 10.034 22.279 19.616 1.00 7.72 N +ATOM 701 CA PHE C 83 10.362 23.079 18.458 1.00 8.22 C +ATOM 702 C PHE C 83 9.385 22.799 17.324 1.00 7.25 C +ATOM 703 O PHE C 83 8.855 23.731 16.711 1.00 8.03 O +ATOM 704 CB PHE C 83 11.794 22.813 17.998 1.00 8.01 C +ATOM 705 CG PHE C 83 12.197 23.651 16.813 1.00 9.79 C +ATOM 706 CD1 PHE C 83 12.869 24.866 16.996 1.00 11.44 C +ATOM 707 CD2 PHE C 83 11.885 23.250 15.516 1.00 11.14 C +ATOM 708 CE1 PHE C 83 13.223 25.668 15.890 1.00 13.44 C +ATOM 709 CE2 PHE C 83 12.232 24.042 14.407 1.00 12.72 C +ATOM 710 CZ PHE C 83 12.912 25.245 14.603 1.00 12.77 C +ATOM 711 N LEU C 84 9.123 21.527 17.032 1.00 7.37 N +ATOM 712 CA LEU C 84 8.246 21.199 15.933 1.00 7.18 C +ATOM 713 C LEU C 84 6.813 21.639 16.206 1.00 7.57 C +ATOM 714 O LEU C 84 6.154 22.151 15.301 1.00 7.67 O +ATOM 715 CB LEU C 84 8.333 19.707 15.618 1.00 7.04 C +ATOM 716 CG LEU C 84 7.575 19.269 14.364 1.00 6.62 C +ATOM 717 CD1 LEU C 84 8.033 20.009 13.104 1.00 7.93 C +ATOM 718 CD2 LEU C 84 7.677 17.766 14.218 1.00 7.29 C +ATOM 719 N ALA C 85 6.324 21.443 17.422 1.00 7.60 N +ATOM 720 CA ALA C 85 4.964 21.860 17.758 1.00 8.63 C +ATOM 721 C ALA C 85 4.839 23.368 17.571 1.00 8.72 C +ATOM 722 O ALA C 85 3.842 23.830 17.011 1.00 10.16 O +ATOM 723 CB ALA C 85 4.611 21.470 19.174 1.00 8.78 C +ATOM 724 N SER C 86 5.831 24.126 18.047 1.00 9.17 N +ATOM 725 CA SER C 86 5.831 25.587 17.901 1.00 9.82 C +ATOM 726 C SER C 86 5.870 25.955 16.409 1.00 8.88 C +ATOM 727 O SER C 86 5.138 26.857 15.964 1.00 9.57 O +ATOM 728 CB SER C 86 7.022 26.186 18.661 1.00 10.07 C +ATOM 729 OG SER C 86 7.089 27.612 18.534 1.00 14.69 O +ATOM 730 N TYR C 87 6.704 25.273 15.623 1.00 8.09 N +ATOM 731 CA TYR C 87 6.758 25.498 14.196 1.00 8.51 C +ATOM 732 C TYR C 87 5.379 25.351 13.552 1.00 8.70 C +ATOM 733 O TYR C 87 4.982 26.173 12.719 1.00 8.41 O +ATOM 734 CB TYR C 87 7.753 24.561 13.499 1.00 8.82 C +ATOM 735 CG TYR C 87 7.965 24.920 12.058 1.00 8.55 C +ATOM 736 CD1 TYR C 87 8.999 25.776 11.695 1.00 11.35 C +ATOM 737 CD2 TYR C 87 7.123 24.446 11.055 1.00 9.25 C +ATOM 738 CE1 TYR C 87 9.199 26.138 10.375 1.00 12.59 C +ATOM 739 CE2 TYR C 87 7.323 24.809 9.734 1.00 10.67 C +ATOM 740 CZ TYR C 87 8.362 25.661 9.410 1.00 12.61 C +ATOM 741 OH TYR C 87 8.535 26.021 8.091 1.00 15.36 O +ATOM 742 N LEU C 88 4.643 24.306 13.923 1.00 8.21 N +ATOM 743 CA LEU C 88 3.322 24.070 13.333 1.00 8.87 C +ATOM 744 C LEU C 88 2.381 25.233 13.592 1.00 8.10 C +ATOM 745 O LEU C 88 1.701 25.689 12.692 1.00 8.28 O +ATOM 746 CB LEU C 88 2.698 22.780 13.875 1.00 9.37 C +ATOM 747 CG LEU C 88 3.419 21.473 13.563 1.00 12.36 C +ATOM 748 CD1 LEU C 88 2.665 20.297 14.150 1.00 12.82 C +ATOM 749 CD2 LEU C 88 3.561 21.304 12.075 1.00 14.28 C +ATOM 750 N LEU C 89 2.358 25.704 14.828 1.00 7.87 N +ATOM 751 CA LEU C 89 1.507 26.845 15.166 1.00 9.02 C +ATOM 752 C LEU C 89 1.909 28.120 14.445 1.00 8.25 C +ATOM 753 O LEU C 89 1.036 28.851 13.940 1.00 9.24 O +ATOM 754 CB LEU C 89 1.514 27.068 16.665 1.00 9.52 C +ATOM 755 CG LEU C 89 0.939 25.914 17.499 1.00 11.97 C +ATOM 756 CD1 LEU C 89 1.051 26.272 18.972 1.00 15.10 C +ATOM 757 CD2 LEU C 89 -0.506 25.607 17.133 1.00 13.67 C +ATOM 758 N LYS C 90 3.215 28.352 14.356 1.00 8.01 N +ATOM 759 CA LYS C 90 3.732 29.592 13.755 1.00 8.46 C +ATOM 760 C LYS C 90 3.534 29.631 12.244 1.00 8.04 C +ATOM 761 O LYS C 90 3.432 30.729 11.666 1.00 8.60 O +ATOM 762 CB LYS C 90 5.201 29.776 14.100 1.00 9.12 C +ATOM 763 CG LYS C 90 5.442 30.112 15.539 1.00 11.47 C +ATOM 764 CD LYS C 90 6.905 30.061 15.853 1.00 15.76 C +ATOM 765 CE LYS C 90 7.172 30.469 17.285 1.00 20.30 C +ATOM 766 NZ LYS C 90 8.589 30.181 17.649 1.00 24.32 N +ATOM 767 N ASN C 91 3.443 28.462 11.617 1.00 7.90 N +ATOM 768 CA ASN C 91 3.438 28.383 10.163 1.00 8.96 C +ATOM 769 C ASN C 91 2.169 27.824 9.553 1.00 8.65 C +ATOM 770 O ASN C 91 2.039 27.770 8.326 1.00 9.35 O +ATOM 771 CB ASN C 91 4.648 27.590 9.645 1.00 9.41 C +ATOM 772 CG ASN C 91 5.955 28.310 9.880 1.00 9.57 C +ATOM 773 OD1 ASN C 91 6.413 29.080 9.037 1.00 12.53 O +ATOM 774 ND2 ASN C 91 6.554 28.081 11.032 1.00 11.06 N +ATOM 775 N LYS C 92 1.208 27.451 10.390 1.00 9.42 N +ATOM 776 CA LYS C 92 -0.015 26.836 9.851 1.00 11.22 C +ATOM 777 C LYS C 92 -0.820 27.759 8.939 1.00 11.67 C +ATOM 778 O LYS C 92 -1.574 27.284 8.105 1.00 12.63 O +ATOM 779 CB LYS C 92 -0.903 26.251 10.943 1.00 12.47 C +ATOM 780 CG LYS C 92 -1.409 27.227 11.961 1.00 13.00 C +ATOM 781 CD LYS C 92 -2.110 26.440 13.071 1.00 16.59 C +ATOM 782 CE LYS C 92 -2.552 27.300 14.230 1.00 18.97 C +ATOM 783 NZ LYS C 92 -3.632 28.210 13.817 1.00 19.76 N +ATOM 784 N ALA C 93 -0.660 29.073 9.096 1.00 12.10 N +ATOM 785 CA ALA C 93 -1.383 30.027 8.255 1.00 13.42 C +ATOM 786 C ALA C 93 -1.018 29.887 6.779 1.00 14.56 C +ATOM 787 O ALA C 93 -1.867 30.123 5.909 1.00 14.76 O +ATOM 788 CB ALA C 93 -1.128 31.453 8.724 1.00 13.29 C +ATOM 789 N GLN C 94 0.231 29.521 6.484 1.00 16.62 N +ATOM 790 CA GLN C 94 0.681 29.280 5.096 1.00 19.22 C +ATOM 791 C GLN C 94 -0.084 28.149 4.421 1.00 20.58 C +ATOM 792 O GLN C 94 -0.136 28.065 3.190 1.00 20.91 O +ATOM 793 CB GLN C 94 2.165 28.929 5.055 1.00 19.40 C +ATOM 794 CG GLN C 94 3.068 29.995 5.625 1.00 22.75 C +ATOM 795 CD GLN C 94 4.454 29.470 5.964 1.00 25.92 C +ATOM 796 OE1 GLN C 94 4.982 28.575 5.288 1.00 26.63 O +ATOM 797 NE2 GLN C 94 5.052 30.026 7.019 1.00 25.68 N +ATOM 798 N PHE C 95 -0.668 27.279 5.237 1.00 22.14 N +ATOM 799 CA PHE C 95 -1.377 26.115 4.738 1.00 24.25 C +ATOM 800 C PHE C 95 -2.880 26.296 4.958 1.00 26.13 C +ATOM 801 O PHE C 95 -3.626 25.328 5.126 1.00 27.61 O +ATOM 802 CB PHE C 95 -0.793 24.849 5.379 1.00 23.53 C +ATOM 803 CG PHE C 95 0.681 24.658 5.086 1.00 22.21 C +ATOM 804 CD1 PHE C 95 1.654 25.262 5.878 1.00 20.19 C +ATOM 805 CD2 PHE C 95 1.093 23.897 3.993 1.00 20.73 C +ATOM 806 CE1 PHE C 95 3.006 25.112 5.595 1.00 19.65 C +ATOM 807 CE2 PHE C 95 2.445 23.734 3.708 1.00 19.63 C +ATOM 808 CZ PHE C 95 3.403 24.338 4.510 1.00 19.30 C +ATOM 809 N GLU C 96 -3.301 27.566 4.937 1.00 28.12 N +ATOM 810 CA GLU C 96 -4.710 27.989 4.945 1.00 29.46 C +ATOM 811 C GLU C 96 -5.497 27.541 6.172 1.00 29.91 C +ATOM 812 O GLU C 96 -6.521 28.144 6.509 1.00 30.90 O +ATOM 813 CB GLU C 96 -5.416 27.554 3.653 1.00 29.80 C +ATOM 814 CG GLU C 96 -6.853 28.021 3.522 1.00 31.63 C +ATOM 815 CD GLU C 96 -7.319 28.104 2.077 1.00 34.03 C +ATOM 816 OE1 GLU C 96 -8.402 28.688 1.841 1.00 34.89 O +ATOM 817 OE2 GLU C 96 -6.605 27.596 1.177 1.00 35.42 O Added: SwiftApps/modFTdock/input/indata/3h8q-2.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3h8q-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3h8q-2.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,813 @@ +ATOM 1 N ARG B 163 24.569 42.725 -17.540 1.00 63.32 N +ATOM 2 CA ARG B 163 24.171 41.359 -17.979 1.00 61.22 C +ATOM 3 C ARG B 163 22.917 40.922 -17.231 1.00 59.94 C +ATOM 4 O ARG B 163 22.967 40.657 -16.026 1.00 59.68 O +ATOM 5 CB ARG B 163 25.311 40.366 -17.740 1.00 55.90 C +ATOM 6 N GLU B 164 21.801 40.851 -17.958 1.00 57.39 N +ATOM 7 CA GLU B 164 20.491 40.541 -17.373 1.00 54.35 C +ATOM 8 C GLU B 164 20.376 39.097 -16.856 1.00 50.37 C +ATOM 9 O GLU B 164 19.728 38.843 -15.820 1.00 48.25 O +ATOM 10 CB GLU B 164 19.374 40.829 -18.385 1.00 53.98 C +ATOM 11 N GLU B 165 21.006 38.168 -17.578 1.00 45.76 N +ATOM 12 CA GLU B 165 20.995 36.750 -17.214 1.00 43.22 C +ATOM 13 C GLU B 165 21.886 36.449 -16.016 1.00 37.01 C +ATOM 14 O GLU B 165 21.534 35.586 -15.206 1.00 32.75 O +ATOM 15 CB GLU B 165 21.404 35.870 -18.404 1.00 46.34 C +ATOM 16 CG GLU B 165 20.364 35.860 -19.536 1.00 58.58 C +ATOM 17 CD GLU B 165 20.939 35.469 -20.898 1.00 69.58 C +ATOM 18 OE1 GLU B 165 22.043 34.879 -20.950 1.00 74.69 O +ATOM 19 OE2 GLU B 165 20.278 35.747 -21.922 1.00 73.63 O +ATOM 20 N LEU B 166 23.029 37.137 -15.913 1.00 30.68 N +ATOM 21 CA LEU B 166 23.909 37.020 -14.751 1.00 33.20 C +ATOM 22 C LEU B 166 23.200 37.539 -13.457 1.00 33.31 C +ATOM 23 O LEU B 166 23.140 36.845 -12.436 1.00 29.46 O +ATOM 24 CB LEU B 166 25.205 37.800 -15.000 1.00 33.96 C +ATOM 25 CG LEU B 166 26.304 37.727 -13.934 1.00 41.36 C +ATOM 26 CD1 LEU B 166 26.685 36.269 -13.590 1.00 33.34 C +ATOM 27 CD2 LEU B 166 27.510 38.544 -14.407 1.00 38.88 C +ATOM 28 N ARG B 167 22.662 38.756 -13.525 1.00 31.25 N +ATOM 29 CA ARG B 167 21.870 39.314 -12.418 1.00 32.74 C +ATOM 30 C ARG B 167 20.887 38.288 -11.931 1.00 30.97 C +ATOM 31 O ARG B 167 20.812 38.018 -10.720 1.00 29.44 O +ATOM 32 CB ARG B 167 21.090 40.536 -12.858 1.00 35.51 C +ATOM 33 CG ARG B 167 21.709 41.865 -12.464 1.00 46.66 C +ATOM 34 CD ARG B 167 20.837 43.019 -12.935 1.00 56.85 C +ATOM 35 NE ARG B 167 21.595 44.055 -13.643 1.00 67.52 N +ATOM 36 CZ ARG B 167 22.359 44.977 -13.058 1.00 72.92 C +ATOM 37 NH1 ARG B 167 22.491 45.014 -11.736 1.00 73.25 N +ATOM 38 NH2 ARG B 167 23.003 45.867 -13.806 1.00 73.52 N +ATOM 39 N ARG B 168 20.147 37.714 -12.884 1.00 27.98 N +ATOM 40 CA ARG B 168 19.118 36.729 -12.585 1.00 28.71 C +ATOM 41 C ARG B 168 19.693 35.468 -11.896 1.00 29.91 C +ATOM 42 O ARG B 168 19.076 34.921 -10.988 1.00 31.96 O +ATOM 43 CB ARG B 168 18.381 36.348 -13.875 1.00 29.34 C +ATOM 44 CG ARG B 168 17.156 35.443 -13.677 1.00 37.34 C +ATOM 45 CD ARG B 168 16.516 35.048 -15.027 1.00 49.62 C +ATOM 46 NE ARG B 168 16.114 36.219 -15.821 1.00 62.12 N +ATOM 47 CZ ARG B 168 15.780 36.206 -17.120 1.00 72.90 C +ATOM 48 NH1 ARG B 168 15.784 35.075 -17.834 1.00 73.52 N +ATOM 49 NH2 ARG B 168 15.433 37.347 -17.717 1.00 71.58 N +ATOM 50 N HIS B 169 20.859 34.992 -12.338 1.00 29.88 N +ATOM 51 CA HIS B 169 21.443 33.782 -11.751 1.00 30.59 C +ATOM 52 C HIS B 169 21.950 34.087 -10.343 1.00 28.96 C +ATOM 53 O HIS B 169 21.870 33.239 -9.487 1.00 32.13 O +ATOM 54 CB HIS B 169 22.617 33.242 -12.597 1.00 29.89 C +ATOM 55 CG HIS B 169 22.201 32.564 -13.866 1.00 32.94 C +ATOM 56 ND1 HIS B 169 22.835 32.784 -15.068 1.00 32.02 N +ATOM 57 CD2 HIS B 169 21.225 31.659 -14.116 1.00 32.73 C +ATOM 58 CE1 HIS B 169 22.260 32.056 -16.006 1.00 37.85 C +ATOM 59 NE2 HIS B 169 21.288 31.357 -15.452 1.00 26.27 N +ATOM 60 N LEU B 170 22.502 35.283 -10.133 1.00 26.95 N +ATOM 61 CA LEU B 170 23.016 35.680 -8.809 1.00 25.35 C +ATOM 62 C LEU B 170 21.880 35.781 -7.804 1.00 25.22 C +ATOM 63 O LEU B 170 21.984 35.313 -6.652 1.00 31.34 O +ATOM 64 CB LEU B 170 23.752 37.021 -8.870 1.00 21.92 C +ATOM 65 CG LEU B 170 25.142 36.957 -9.476 1.00 30.21 C +ATOM 66 CD1 LEU B 170 25.698 38.360 -9.803 1.00 24.54 C +ATOM 67 CD2 LEU B 170 26.083 36.185 -8.523 1.00 29.33 C +ATOM 68 N VAL B 171 20.791 36.392 -8.233 1.00 24.21 N +ATOM 69 CA VAL B 171 19.591 36.492 -7.399 1.00 22.83 C +ATOM 70 C VAL B 171 19.019 35.097 -7.084 1.00 28.34 C +ATOM 71 O VAL B 171 18.635 34.834 -5.936 1.00 29.94 O +ATOM 72 CB VAL B 171 18.519 37.377 -8.077 1.00 29.09 C +ATOM 73 CG1 VAL B 171 17.112 37.282 -7.381 1.00 29.10 C +ATOM 74 CG2 VAL B 171 18.998 38.814 -8.112 1.00 22.96 C +ATOM 75 N GLY B 172 18.982 34.204 -8.085 1.00 25.82 N +ATOM 76 CA GLY B 172 18.471 32.836 -7.870 1.00 22.74 C +ATOM 77 C GLY B 172 19.303 32.048 -6.850 1.00 25.47 C +ATOM 78 O GLY B 172 18.765 31.333 -5.999 1.00 25.24 O +ATOM 79 N LEU B 173 20.619 32.157 -6.961 1.00 25.35 N +ATOM 80 CA LEU B 173 21.547 31.557 -5.993 1.00 28.99 C +ATOM 81 C LEU B 173 21.227 31.999 -4.539 1.00 27.61 C +ATOM 82 O LEU B 173 21.135 31.170 -3.625 1.00 25.08 O +ATOM 83 CB LEU B 173 22.982 31.959 -6.345 1.00 27.63 C +ATOM 84 CG LEU B 173 24.154 31.347 -5.558 1.00 39.78 C +ATOM 85 CD1 LEU B 173 24.077 29.778 -5.307 1.00 34.35 C +ATOM 86 CD2 LEU B 173 25.459 31.729 -6.345 1.00 28.08 C +ATOM 87 N ILE B 174 21.003 33.296 -4.356 1.00 26.90 N +ATOM 88 CA ILE B 174 20.699 33.880 -3.036 1.00 23.72 C +ATOM 89 C ILE B 174 19.356 33.408 -2.506 1.00 29.46 C +ATOM 90 O ILE B 174 19.223 33.063 -1.303 1.00 30.86 O +ATOM 91 CB ILE B 174 20.713 35.423 -3.103 1.00 22.24 C +ATOM 92 CG1 ILE B 174 22.125 35.914 -3.389 1.00 24.70 C +ATOM 93 CG2 ILE B 174 20.219 36.045 -1.805 1.00 25.35 C +ATOM 94 CD1 ILE B 174 22.234 37.470 -3.709 1.00 18.44 C +ATOM 95 N GLU B 175 18.379 33.379 -3.410 1.00 27.78 N +ATOM 96 CA GLU B 175 17.019 32.968 -3.098 1.00 29.09 C +ATOM 97 C GLU B 175 16.923 31.496 -2.681 1.00 26.82 C +ATOM 98 O GLU B 175 16.150 31.153 -1.796 1.00 31.93 O +ATOM 99 CB GLU B 175 16.065 33.267 -4.282 1.00 32.47 C +ATOM 100 CG GLU B 175 15.687 34.740 -4.416 1.00 40.89 C +ATOM 101 CD GLU B 175 14.581 34.981 -5.456 1.00 52.89 C +ATOM 102 OE1 GLU B 175 14.804 34.810 -6.694 1.00 41.74 O +ATOM 103 OE2 GLU B 175 13.482 35.354 -5.019 1.00 53.70 O +ATOM 104 N ARG B 176 17.730 30.640 -3.275 1.00 24.95 N +ATOM 105 CA ARG B 176 17.648 29.212 -3.017 1.00 27.35 C +ATOM 106 C ARG B 176 18.534 28.716 -1.856 1.00 27.05 C +ATOM 107 O ARG B 176 18.432 27.551 -1.471 1.00 29.73 O +ATOM 108 CB ARG B 176 17.981 28.425 -4.286 1.00 29.47 C +ATOM 109 N SER B 177 19.373 29.587 -1.302 1.00 24.10 N +ATOM 110 CA SER B 177 20.427 29.170 -0.382 1.00 22.83 C +ATOM 111 C SER B 177 20.128 29.610 1.029 1.00 19.89 C +ATOM 112 O SER B 177 19.851 30.768 1.289 1.00 23.44 O +ATOM 113 CB SER B 177 21.788 29.786 -0.734 1.00 24.66 C +ATOM 114 OG SER B 177 22.242 29.478 -2.028 1.00 24.91 O +ATOM 115 N ARG B 178 20.285 28.681 1.954 1.00 20.53 N +ATOM 116 CA ARG B 178 20.273 29.026 3.356 1.00 19.28 C +ATOM 117 C ARG B 178 21.418 29.976 3.764 1.00 16.00 C +ATOM 118 O ARG B 178 21.194 30.967 4.494 1.00 18.53 O +ATOM 119 CB ARG B 178 20.294 27.759 4.181 1.00 20.84 C +ATOM 120 CG ARG B 178 20.199 28.058 5.645 1.00 29.09 C +ATOM 121 CD ARG B 178 20.237 26.769 6.388 1.00 35.91 C +ATOM 122 NE ARG B 178 19.799 26.962 7.755 1.00 33.38 N +ATOM 123 CZ ARG B 178 20.282 26.291 8.788 1.00 33.35 C +ATOM 124 NH1 ARG B 178 21.225 25.362 8.623 1.00 27.23 N +ATOM 125 NH2 ARG B 178 19.820 26.556 9.999 1.00 26.10 N +ATOM 126 N VAL B 179 22.620 29.669 3.307 1.00 16.38 N +ATOM 127 CA VAL B 179 23.770 30.590 3.396 1.00 14.69 C +ATOM 128 C VAL B 179 24.501 30.603 2.070 1.00 15.00 C +ATOM 129 O VAL B 179 24.815 29.557 1.530 1.00 18.01 O +ATOM 130 CB VAL B 179 24.790 30.173 4.430 1.00 17.08 C +ATOM 131 CG1 VAL B 179 25.921 31.224 4.454 1.00 14.05 C +ATOM 132 CG2 VAL B 179 24.136 30.013 5.807 1.00 13.48 C +ATOM 133 N VAL B 180 24.754 31.779 1.538 1.00 16.60 N +ATOM 134 CA VAL B 180 25.664 31.910 0.405 1.00 18.60 C +ATOM 135 C VAL B 180 26.757 32.894 0.798 1.00 19.07 C +ATOM 136 O VAL B 180 26.464 33.939 1.386 1.00 20.62 O +ATOM 137 CB VAL B 180 24.957 32.298 -0.926 1.00 20.98 C +ATOM 138 CG1 VAL B 180 24.119 33.509 -0.781 1.00 25.29 C +ATOM 139 CG2 VAL B 180 26.002 32.480 -2.045 1.00 24.65 C +ATOM 140 N ILE B 181 28.016 32.505 0.531 1.00 18.18 N +ATOM 141 CA ILE B 181 29.192 33.344 0.751 1.00 15.96 C +ATOM 142 C ILE B 181 29.842 33.572 -0.608 1.00 18.95 C +ATOM 143 O ILE B 181 30.262 32.629 -1.269 1.00 21.13 O +ATOM 144 CB ILE B 181 30.249 32.660 1.691 1.00 15.42 C +ATOM 145 CG1 ILE B 181 29.602 32.158 2.976 1.00 19.87 C +ATOM 146 CG2 ILE B 181 31.446 33.614 1.978 1.00 16.95 C +ATOM 147 CD1 ILE B 181 30.464 31.093 3.751 1.00 19.93 C +ATOM 148 N PHE B 182 29.870 34.829 -1.032 1.00 19.82 N +ATOM 149 CA PHE B 182 30.632 35.266 -2.179 1.00 18.37 C +ATOM 150 C PHE B 182 32.009 35.593 -1.646 1.00 21.72 C +ATOM 151 O PHE B 182 32.180 36.452 -0.787 1.00 25.49 O +ATOM 152 CB PHE B 182 29.961 36.474 -2.780 1.00 22.04 C +ATOM 153 CG PHE B 182 28.596 36.172 -3.351 1.00 22.48 C +ATOM 154 CD1 PHE B 182 28.472 35.642 -4.640 1.00 24.84 C +ATOM 155 CD2 PHE B 182 27.438 36.404 -2.605 1.00 24.22 C +ATOM 156 CE1 PHE B 182 27.207 35.369 -5.196 1.00 24.16 C +ATOM 157 CE2 PHE B 182 26.180 36.119 -3.141 1.00 20.90 C +ATOM 158 CZ PHE B 182 26.062 35.610 -4.441 1.00 26.87 C +ATOM 159 N SER B 183 32.981 34.846 -2.129 1.00 20.29 N +ATOM 160 CA SER B 183 34.261 34.681 -1.470 1.00 20.65 C +ATOM 161 C SER B 183 35.420 34.829 -2.466 1.00 26.54 C +ATOM 162 O SER B 183 35.221 34.915 -3.692 1.00 23.51 O +ATOM 163 CB SER B 183 34.306 33.269 -0.893 1.00 23.15 C +ATOM 164 OG SER B 183 35.591 32.886 -0.439 1.00 30.77 O +ATOM 165 N LYS B 184 36.631 34.849 -1.917 1.00 30.82 N +ATOM 166 CA LYS B 184 37.838 34.603 -2.704 1.00 32.68 C +ATOM 167 C LYS B 184 38.713 33.528 -2.033 1.00 33.41 C +ATOM 168 O LYS B 184 38.880 33.519 -0.816 1.00 31.30 O +ATOM 169 CB LYS B 184 38.608 35.900 -2.968 1.00 30.90 C +ATOM 170 CG LYS B 184 38.032 36.662 -4.167 1.00 36.15 C +ATOM 171 CD LYS B 184 38.486 38.126 -4.248 1.00 37.64 C +ATOM 172 CE LYS B 184 37.681 38.881 -5.331 1.00 39.76 C +ATOM 173 NZ LYS B 184 37.909 40.369 -5.323 1.00 48.93 N +ATOM 174 N SER B 185 39.206 32.604 -2.860 1.00 36.04 N +ATOM 175 CA SER B 185 39.902 31.383 -2.422 1.00 39.77 C +ATOM 176 C SER B 185 41.054 31.639 -1.444 1.00 39.10 C +ATOM 177 O SER B 185 41.361 30.792 -0.597 1.00 41.06 O +ATOM 178 CB SER B 185 40.468 30.633 -3.643 1.00 40.52 C +ATOM 179 OG SER B 185 39.463 29.872 -4.292 1.00 48.82 O +ATOM 180 N TYR B 186 41.694 32.798 -1.572 1.00 37.50 N +ATOM 181 CA TYR B 186 42.915 33.102 -0.823 1.00 41.66 C +ATOM 182 C TYR B 186 42.700 34.083 0.347 1.00 43.27 C +ATOM 183 O TYR B 186 43.633 34.382 1.119 1.00 43.54 O +ATOM 184 CB TYR B 186 43.965 33.671 -1.796 1.00 43.41 C +ATOM 185 CG TYR B 186 43.464 34.902 -2.536 0.80 38.73 C +ATOM 186 CD1 TYR B 186 43.481 36.151 -1.916 0.80 37.01 C +ATOM 187 CD2 TYR B 186 42.938 34.815 -3.842 0.80 35.14 C +ATOM 188 CE1 TYR B 186 43.011 37.280 -2.568 0.80 35.38 C +ATOM 189 CE2 TYR B 186 42.462 35.953 -4.497 0.80 35.04 C +ATOM 190 CZ TYR B 186 42.511 37.181 -3.844 0.80 24.24 C +ATOM 191 OH TYR B 186 42.058 38.328 -4.459 0.80 37.08 O +ATOM 192 N CYS B 187 41.468 34.577 0.471 1.00 43.22 N +ATOM 193 CA CYS B 187 41.115 35.634 1.425 1.00 41.72 C +ATOM 194 C CYS B 187 40.915 35.073 2.845 1.00 40.00 C +ATOM 195 O CYS B 187 40.122 34.152 3.038 1.00 40.40 O +ATOM 196 CB CYS B 187 39.841 36.324 0.926 1.00 43.29 C +ATOM 197 SG CYS B 187 39.193 37.642 1.953 1.00 37.90 S +ATOM 198 N PRO B 188 41.643 35.610 3.839 1.00 37.09 N +ATOM 199 CA PRO B 188 41.536 35.077 5.203 1.00 35.87 C +ATOM 200 C PRO B 188 40.285 35.550 5.936 1.00 33.54 C +ATOM 201 O PRO B 188 39.863 34.909 6.896 1.00 34.04 O +ATOM 202 CB PRO B 188 42.788 35.617 5.902 1.00 36.52 C +ATOM 203 CG PRO B 188 43.144 36.854 5.157 1.00 38.61 C +ATOM 204 CD PRO B 188 42.671 36.663 3.735 1.00 39.44 C +ATOM 205 N HIS B 189 39.697 36.663 5.501 1.00 30.86 N +ATOM 206 CA HIS B 189 38.359 37.037 5.987 1.00 31.52 C +ATOM 207 C HIS B 189 37.323 35.990 5.541 1.00 29.49 C +ATOM 208 O HIS B 189 36.558 35.501 6.372 1.00 25.47 O +ATOM 209 CB HIS B 189 37.961 38.415 5.503 1.00 29.71 C +ATOM 210 CG HIS B 189 38.779 39.510 6.096 1.00 37.23 C +ATOM 211 ND1 HIS B 189 38.411 40.165 7.251 1.00 52.16 N +ATOM 212 CD2 HIS B 189 39.952 40.058 5.706 1.00 47.34 C +ATOM 213 CE1 HIS B 189 39.317 41.081 7.540 1.00 53.84 C +ATOM 214 NE2 HIS B 189 40.263 41.036 6.619 1.00 51.05 N +ATOM 215 N SER B 190 37.358 35.634 4.247 1.00 26.35 N +ATOM 216 CA SER B 190 36.526 34.558 3.667 1.00 24.72 C +ATOM 217 C SER B 190 36.735 33.231 4.394 1.00 24.19 C +ATOM 218 O SER B 190 35.779 32.615 4.810 1.00 25.92 O +ATOM 219 CB SER B 190 36.842 34.362 2.168 1.00 25.93 C +ATOM 220 OG SER B 190 36.616 35.537 1.426 1.00 24.46 O +ATOM 221 N THR B 191 37.987 32.816 4.557 1.00 25.33 N +ATOM 222 CA THR B 191 38.343 31.590 5.282 1.00 27.78 C +ATOM 223 C THR B 191 37.779 31.588 6.699 1.00 26.02 C +ATOM 224 O THR B 191 37.262 30.582 7.174 1.00 23.84 O +ATOM 225 CB THR B 191 39.884 31.423 5.331 1.00 30.06 C +ATOM 226 OG1 THR B 191 40.371 31.312 3.981 1.00 31.46 O +ATOM 227 CG2 THR B 191 40.324 30.185 6.184 1.00 26.69 C +ATOM 228 N ARG B 192 37.857 32.736 7.356 1.00 24.38 N +ATOM 229 CA ARG B 192 37.374 32.855 8.713 1.00 24.19 C +ATOM 230 C ARG B 192 35.854 32.750 8.834 1.00 20.69 C +ATOM 231 O ARG B 192 35.336 32.112 9.765 1.00 20.28 O +ATOM 232 CB ARG B 192 37.880 34.167 9.314 1.00 29.52 C +ATOM 233 CG ARG B 192 37.716 34.254 10.797 1.00 36.63 C +ATOM 234 CD ARG B 192 38.598 33.262 11.529 1.00 38.08 C +ATOM 235 NE ARG B 192 38.143 33.086 12.911 1.00 35.88 N +ATOM 236 CZ ARG B 192 37.176 32.258 13.316 1.00 38.43 C +ATOM 237 NH1 ARG B 192 36.500 31.489 12.459 1.00 37.03 N +ATOM 238 NH2 ARG B 192 36.865 32.205 14.603 1.00 45.19 N +ATOM 239 N VAL B 193 35.125 33.359 7.899 1.00 18.58 N +ATOM 240 CA VAL B 193 33.680 33.213 7.894 1.00 21.31 C +ATOM 241 C VAL B 193 33.229 31.786 7.579 1.00 23.88 C +ATOM 242 O VAL B 193 32.279 31.296 8.165 1.00 26.04 O +ATOM 243 CB VAL B 193 33.009 34.143 6.875 1.00 25.08 C +ATOM 244 CG1 VAL B 193 31.523 34.023 7.012 1.00 33.03 C +ATOM 245 CG2 VAL B 193 33.369 35.558 7.139 1.00 22.12 C +ATOM 246 N LYS B 194 33.906 31.120 6.638 1.00 25.93 N +ATOM 247 CA LYS B 194 33.611 29.705 6.328 1.00 25.35 C +ATOM 248 C LYS B 194 33.791 28.860 7.578 1.00 24.06 C +ATOM 249 O LYS B 194 32.996 27.967 7.855 1.00 22.80 O +ATOM 250 CB LYS B 194 34.547 29.160 5.243 1.00 24.77 C +ATOM 251 CG LYS B 194 34.411 29.854 3.884 1.00 32.71 C +ATOM 252 CD LYS B 194 35.546 29.420 2.950 1.00 36.38 C +ATOM 253 CE LYS B 194 35.466 30.130 1.609 1.00 38.67 C +ATOM 254 NZ LYS B 194 36.570 29.716 0.697 1.00 34.57 N +ATOM 255 N GLU B 195 34.841 29.139 8.336 1.00 25.70 N +ATOM 256 CA GLU B 195 35.122 28.375 9.575 1.00 25.12 C +ATOM 257 C GLU B 195 34.047 28.621 10.606 1.00 22.08 C +ATOM 258 O GLU B 195 33.603 27.702 11.248 1.00 25.04 O +ATOM 259 CB GLU B 195 36.508 28.733 10.153 1.00 28.88 C +ATOM 260 CG GLU B 195 37.672 28.148 9.361 1.00 42.50 C +ATOM 261 CD GLU B 195 39.039 28.792 9.671 1.00 55.57 C +ATOM 262 OE1 GLU B 195 39.101 29.839 10.353 1.00 56.90 O +ATOM 263 OE2 GLU B 195 40.063 28.242 9.213 1.00 61.70 O +ATOM 264 N LEU B 196 33.614 29.864 10.773 1.00 20.77 N +ATOM 265 CA LEU B 196 32.502 30.129 11.685 1.00 18.39 C +ATOM 266 C LEU B 196 31.277 29.235 11.313 1.00 22.20 C +ATOM 267 O LEU B 196 30.719 28.540 12.154 1.00 24.99 O +ATOM 268 CB LEU B 196 32.106 31.606 11.621 1.00 18.58 C +ATOM 269 CG LEU B 196 30.867 31.996 12.415 1.00 20.81 C +ATOM 270 CD1 LEU B 196 31.142 31.662 13.923 1.00 17.98 C +ATOM 271 CD2 LEU B 196 30.426 33.458 12.190 1.00 18.95 C +ATOM 272 N PHE B 197 30.858 29.247 10.049 1.00 25.08 N +ATOM 273 CA PHE B 197 29.619 28.499 9.680 1.00 23.37 C +ATOM 274 C PHE B 197 29.853 27.018 9.871 1.00 25.57 C +ATOM 275 O PHE B 197 28.978 26.308 10.329 1.00 30.34 O +ATOM 276 CB PHE B 197 29.166 28.794 8.249 1.00 18.16 C +ATOM 277 CG PHE B 197 28.463 30.094 8.109 1.00 17.16 C +ATOM 278 CD1 PHE B 197 27.195 30.275 8.651 1.00 18.51 C +ATOM 279 CD2 PHE B 197 29.089 31.181 7.486 1.00 17.45 C +ATOM 280 CE1 PHE B 197 26.556 31.538 8.582 1.00 18.37 C +ATOM 281 CE2 PHE B 197 28.463 32.436 7.404 1.00 18.17 C +ATOM 282 CZ PHE B 197 27.198 32.609 7.931 1.00 22.63 C +ATOM 283 N SER B 198 31.051 26.555 9.549 1.00 30.18 N +ATOM 284 CA SER B 198 31.393 25.158 9.791 1.00 33.55 C +ATOM 285 C SER B 198 31.329 24.793 11.280 1.00 33.81 C +ATOM 286 O SER B 198 30.756 23.770 11.631 1.00 32.60 O +ATOM 287 CB SER B 198 32.759 24.826 9.220 1.00 35.29 C +ATOM 288 OG SER B 198 33.142 23.499 9.556 1.00 46.37 O +ATOM 289 N SER B 199 31.879 25.650 12.146 1.00 32.66 N +ATOM 290 CA SER B 199 31.761 25.456 13.596 1.00 34.57 C +ATOM 291 C SER B 199 30.313 25.332 14.041 1.00 36.05 C +ATOM 292 O SER B 199 30.015 24.511 14.898 1.00 37.24 O +ATOM 293 CB SER B 199 32.404 26.614 14.361 1.00 35.60 C +ATOM 294 OG SER B 199 33.764 26.745 13.966 1.00 47.48 O +ATOM 295 N LEU B 200 29.431 26.151 13.458 1.00 34.52 N +ATOM 296 CA LEU B 200 28.003 26.117 13.777 1.00 32.68 C +ATOM 297 C LEU B 200 27.281 24.936 13.091 1.00 33.57 C +ATOM 298 O LEU B 200 26.050 24.808 13.182 1.00 34.07 O +ATOM 299 CB LEU B 200 27.329 27.418 13.333 1.00 31.00 C +ATOM 300 CG LEU B 200 27.762 28.737 13.958 1.00 36.88 C +ATOM 301 CD1 LEU B 200 27.093 29.904 13.200 1.00 27.86 C +ATOM 302 CD2 LEU B 200 27.381 28.742 15.458 1.00 35.27 C +ATOM 303 N GLY B 201 28.018 24.110 12.359 1.00 33.19 N +ATOM 304 CA GLY B 201 27.409 22.990 11.632 1.00 34.40 C +ATOM 305 C GLY B 201 26.468 23.424 10.521 1.00 33.94 C +ATOM 306 O GLY B 201 25.511 22.712 10.191 1.00 32.68 O +ATOM 307 N VAL B 202 26.751 24.575 9.912 1.00 32.08 N +ATOM 308 CA VAL B 202 25.890 25.101 8.857 1.00 30.13 C +ATOM 309 C VAL B 202 26.527 24.948 7.483 1.00 27.64 C +ATOM 310 O VAL B 202 27.624 25.460 7.216 1.00 30.80 O +ATOM 311 CB VAL B 202 25.562 26.577 9.113 1.00 30.61 C +ATOM 312 CG1 VAL B 202 24.755 27.166 7.938 1.00 27.26 C +ATOM 313 CG2 VAL B 202 24.832 26.718 10.469 1.00 30.92 C +ATOM 314 N GLU B 203 25.804 24.274 6.604 1.00 28.13 N +ATOM 315 CA GLU B 203 26.218 24.084 5.207 1.00 31.14 C +ATOM 316 C GLU B 203 26.005 25.354 4.380 1.00 29.97 C +ATOM 317 O GLU B 203 24.906 25.973 4.385 1.00 29.65 O +ATOM 318 CB GLU B 203 25.440 22.908 4.584 1.00 36.68 C +ATOM 319 CG GLU B 203 26.143 22.232 3.378 1.00 51.16 C +ATOM 320 CD GLU B 203 27.281 21.264 3.788 1.00 65.31 C +ATOM 321 OE1 GLU B 203 27.647 21.171 4.995 1.00 69.55 O +ATOM 322 OE2 GLU B 203 27.815 20.594 2.880 1.00 69.53 O +ATOM 323 N CYS B 204 27.041 25.734 3.640 1.00 28.60 N +ATOM 324 CA CYS B 204 27.019 26.965 2.852 1.00 26.20 C +ATOM 325 C CYS B 204 27.257 26.706 1.391 1.00 24.52 C +ATOM 326 O CYS B 204 28.038 25.831 1.039 1.00 22.81 O +ATOM 327 CB CYS B 204 28.129 27.885 3.330 1.00 29.41 C +ATOM 328 SG CYS B 204 27.991 28.318 5.055 1.00 36.48 S +ATOM 329 N ASN B 205 26.604 27.489 0.553 1.00 21.31 N +ATOM 330 CA ASN B 205 26.962 27.575 -0.850 1.00 22.14 C +ATOM 331 C ASN B 205 28.053 28.630 -0.979 1.00 22.30 C +ATOM 332 O ASN B 205 27.881 29.755 -0.542 1.00 27.11 O +ATOM 333 CB ASN B 205 25.744 27.953 -1.719 1.00 19.32 C +ATOM 334 CG ASN B 205 24.659 26.853 -1.737 1.00 27.48 C +ATOM 335 OD1 ASN B 205 24.944 25.704 -1.502 1.00 26.08 O +ATOM 336 ND2 ASN B 205 23.414 27.231 -2.051 1.00 30.32 N +ATOM 337 N VAL B 206 29.193 28.259 -1.555 1.00 21.41 N +ATOM 338 CA VAL B 206 30.299 29.192 -1.729 1.00 22.28 C +ATOM 339 C VAL B 206 30.557 29.442 -3.224 1.00 23.85 C +ATOM 340 O VAL B 206 30.709 28.488 -4.000 1.00 22.20 O +ATOM 341 CB VAL B 206 31.593 28.667 -1.106 1.00 23.16 C +ATOM 342 CG1 VAL B 206 32.702 29.712 -1.283 1.00 23.57 C +ATOM 343 CG2 VAL B 206 31.388 28.296 0.358 1.00 19.46 C +ATOM 344 N LEU B 207 30.592 30.716 -3.611 1.00 23.99 N +ATOM 345 CA LEU B 207 31.001 31.116 -4.968 1.00 22.78 C +ATOM 346 C LEU B 207 32.327 31.871 -4.865 1.00 24.97 C +ATOM 347 O LEU B 207 32.388 32.978 -4.296 1.00 20.15 O +ATOM 348 CB LEU B 207 29.927 31.993 -5.616 1.00 24.88 C +ATOM 349 CG LEU B 207 30.131 32.285 -7.116 1.00 34.95 C +ATOM 350 CD1 LEU B 207 30.158 31.001 -7.981 1.00 36.15 C +ATOM 351 CD2 LEU B 207 29.042 33.241 -7.595 1.00 35.42 C +ATOM 352 N GLU B 208 33.385 31.237 -5.367 1.00 25.79 N +ATOM 353 CA GLU B 208 34.757 31.767 -5.336 1.00 25.50 C +ATOM 354 C GLU B 208 34.948 32.606 -6.587 1.00 27.91 C +ATOM 355 O GLU B 208 35.076 32.065 -7.712 1.00 27.30 O +ATOM 356 CB GLU B 208 35.780 30.625 -5.332 1.00 27.40 C +ATOM 357 CG GLU B 208 35.669 29.617 -4.198 1.00 29.74 C +ATOM 358 CD GLU B 208 36.173 30.146 -2.830 1.00 38.36 C +ATOM 359 OE1 GLU B 208 36.511 31.360 -2.717 1.00 33.32 O +ATOM 360 OE2 GLU B 208 36.224 29.335 -1.857 1.00 34.09 O +ATOM 361 N LEU B 209 34.947 33.923 -6.387 1.00 25.61 N +ATOM 362 CA LEU B 209 34.947 34.884 -7.464 1.00 26.33 C +ATOM 363 C LEU B 209 36.248 34.837 -8.290 1.00 30.95 C +ATOM 364 O LEU B 209 36.241 35.142 -9.501 1.00 29.52 O +ATOM 365 CB LEU B 209 34.678 36.298 -6.929 1.00 27.26 C +ATOM 366 CG LEU B 209 33.267 36.503 -6.369 1.00 31.75 C +ATOM 367 CD1 LEU B 209 33.175 37.771 -5.561 1.00 31.73 C +ATOM 368 CD2 LEU B 209 32.226 36.490 -7.497 1.00 34.73 C +ATOM 369 N ASP B 210 37.338 34.419 -7.649 1.00 34.07 N +ATOM 370 CA ASP B 210 38.626 34.241 -8.345 1.00 34.38 C +ATOM 371 C ASP B 210 38.683 32.970 -9.212 1.00 35.63 C +ATOM 372 O ASP B 210 39.648 32.788 -9.978 1.00 37.05 O +ATOM 373 CB ASP B 210 39.774 34.195 -7.328 1.00 33.40 C +ATOM 374 CG ASP B 210 39.691 32.982 -6.411 1.00 28.29 C +ATOM 375 OD1 ASP B 210 38.650 32.812 -5.710 1.00 40.80 O +ATOM 376 OD2 ASP B 210 40.659 32.198 -6.380 1.00 41.53 O +ATOM 377 N GLN B 211 37.690 32.086 -9.073 1.00 35.08 N +ATOM 378 CA GLN B 211 37.669 30.803 -9.798 1.00 34.87 C +ATOM 379 C GLN B 211 36.582 30.706 -10.868 1.00 37.33 C +ATOM 380 O GLN B 211 36.555 29.740 -11.628 1.00 38.81 O +ATOM 381 CB GLN B 211 37.527 29.638 -8.815 1.00 34.86 C +ATOM 382 CG GLN B 211 38.777 29.433 -7.930 1.00 42.74 C +ATOM 383 CD GLN B 211 38.628 28.313 -6.884 1.00 51.45 C +ATOM 384 OE1 GLN B 211 39.589 27.968 -6.201 1.00 56.03 O +ATOM 385 NE2 GLN B 211 37.425 27.758 -6.756 1.00 50.72 N +ATOM 386 N VAL B 212 35.684 31.687 -10.937 1.00 36.91 N +ATOM 387 CA VAL B 212 34.677 31.703 -11.991 1.00 38.67 C +ATOM 388 C VAL B 212 35.210 32.494 -13.193 1.00 40.77 C +ATOM 389 O VAL B 212 35.989 33.450 -13.031 1.00 38.07 O +ATOM 390 CB VAL B 212 33.331 32.304 -11.510 1.00 39.26 C +ATOM 391 CG1 VAL B 212 32.745 31.457 -10.389 1.00 37.99 C +ATOM 392 CG2 VAL B 212 33.516 33.738 -11.059 1.00 36.35 C +ATOM 393 N ASP B 213 34.808 32.075 -14.396 1.00 44.50 N +ATOM 394 CA ASP B 213 35.108 32.842 -15.607 1.00 48.87 C +ATOM 395 C ASP B 213 34.362 34.193 -15.513 1.00 50.32 C +ATOM 396 O ASP B 213 33.161 34.241 -15.199 1.00 49.45 O +ATOM 397 CB ASP B 213 34.725 32.065 -16.886 1.00 48.94 C +ATOM 398 N ASP B 214 35.100 35.284 -15.732 1.00 50.57 N +ATOM 399 CA ASP B 214 34.553 36.636 -15.691 1.00 51.11 C +ATOM 400 C ASP B 214 34.162 37.056 -14.263 1.00 48.08 C +ATOM 401 O ASP B 214 33.135 37.679 -14.064 1.00 47.11 O +ATOM 402 CB ASP B 214 33.353 36.744 -16.655 1.00 52.09 C +ATOM 403 CG ASP B 214 33.384 38.018 -17.507 1.00 62.52 C +ATOM 404 OD1 ASP B 214 34.411 38.747 -17.507 1.00 68.15 O +ATOM 405 OD2 ASP B 214 32.371 38.274 -18.198 1.00 67.50 O +ATOM 406 N GLY B 215 35.005 36.720 -13.284 1.00 47.63 N +ATOM 407 CA GLY B 215 34.782 37.060 -11.871 1.00 46.49 C +ATOM 408 C GLY B 215 34.789 38.550 -11.565 1.00 46.56 C +ATOM 409 O GLY B 215 34.225 38.987 -10.561 1.00 44.21 O +ATOM 410 N ALA B 216 35.447 39.328 -12.423 1.00 48.07 N +ATOM 411 CA ALA B 216 35.419 40.789 -12.342 1.00 48.73 C +ATOM 412 C ALA B 216 34.013 41.322 -12.632 1.00 45.69 C +ATOM 413 O ALA B 216 33.483 42.146 -11.882 1.00 42.52 O +ATOM 414 CB ALA B 216 36.437 41.392 -13.337 1.00 49.90 C +ATOM 415 N ARG B 217 33.429 40.838 -13.730 1.00 44.98 N +ATOM 416 CA ARG B 217 32.068 41.193 -14.125 1.00 45.62 C +ATOM 417 C ARG B 217 31.052 40.714 -13.077 1.00 43.17 C +ATOM 418 O ARG B 217 30.032 41.356 -12.863 1.00 42.71 O +ATOM 419 CB ARG B 217 31.725 40.594 -15.500 1.00 47.06 C +ATOM 420 CG ARG B 217 30.714 41.406 -16.303 1.00 49.97 C +ATOM 421 CD ARG B 217 31.418 42.474 -17.125 1.00 57.96 C +ATOM 422 NE ARG B 217 30.503 43.480 -17.659 1.00 66.91 N +ATOM 423 CZ ARG B 217 30.831 44.392 -18.576 1.00 73.27 C +ATOM 424 NH1 ARG B 217 32.060 44.437 -19.097 1.00 75.25 N +ATOM 425 NH2 ARG B 217 29.916 45.260 -18.987 1.00 75.91 N +ATOM 426 N VAL B 218 31.326 39.580 -12.441 1.00 40.99 N +ATOM 427 CA VAL B 218 30.479 39.081 -11.347 1.00 40.31 C +ATOM 428 C VAL B 218 30.562 39.965 -10.099 1.00 39.25 C +ATOM 429 O VAL B 218 29.547 40.240 -9.473 1.00 40.58 O +ATOM 430 CB VAL B 218 30.828 37.619 -10.966 1.00 40.44 C +ATOM 431 CG1 VAL B 218 29.944 37.127 -9.817 1.00 36.01 C +ATOM 432 CG2 VAL B 218 30.697 36.697 -12.188 1.00 44.43 C +ATOM 433 N GLN B 219 31.760 40.410 -9.738 1.00 38.30 N +ATOM 434 CA GLN B 219 31.919 41.291 -8.574 1.00 40.12 C +ATOM 435 C GLN B 219 31.241 42.636 -8.818 1.00 40.09 C +ATOM 436 O GLN B 219 30.621 43.201 -7.917 1.00 36.22 O +ATOM 437 CB GLN B 219 33.399 41.501 -8.232 1.00 41.56 C +ATOM 438 CG GLN B 219 33.657 42.002 -6.807 1.00 46.31 C +ATOM 439 CD GLN B 219 35.028 41.581 -6.283 1.00 52.90 C +ATOM 440 N GLU B 220 31.367 43.133 -10.049 1.00 41.99 N +ATOM 441 CA GLU B 220 30.694 44.360 -10.477 1.00 42.99 C +ATOM 442 C GLU B 220 29.174 44.248 -10.283 1.00 40.16 C +ATOM 443 O GLU B 220 28.562 45.086 -9.621 1.00 37.50 O +ATOM 444 CB GLU B 220 31.033 44.647 -11.944 1.00 43.70 C +ATOM 445 CG GLU B 220 30.663 46.037 -12.418 1.00 53.01 C +ATOM 446 CD GLU B 220 31.307 46.379 -13.753 1.00 63.74 C +ATOM 447 OE1 GLU B 220 31.399 45.484 -14.621 1.00 66.16 O +ATOM 448 OE2 GLU B 220 31.724 47.541 -13.936 1.00 71.34 O +ATOM 449 N VAL B 221 28.576 43.191 -10.830 1.00 39.19 N +ATOM 450 CA VAL B 221 27.118 42.993 -10.722 1.00 40.05 C +ATOM 451 C VAL B 221 26.681 42.744 -9.278 1.00 40.11 C +ATOM 452 O VAL B 221 25.629 43.203 -8.845 1.00 41.30 O +ATOM 453 CB VAL B 221 26.628 41.827 -11.616 1.00 40.24 C +ATOM 454 CG1 VAL B 221 25.216 41.388 -11.210 1.00 40.28 C +ATOM 455 CG2 VAL B 221 26.672 42.233 -13.073 1.00 39.92 C +ATOM 456 N LEU B 222 27.508 42.026 -8.536 1.00 39.88 N +ATOM 457 CA LEU B 222 27.253 41.796 -7.119 1.00 42.23 C +ATOM 458 C LEU B 222 27.264 43.098 -6.311 1.00 42.49 C +ATOM 459 O LEU B 222 26.482 43.244 -5.385 1.00 43.31 O +ATOM 460 CB LEU B 222 28.268 40.787 -6.571 1.00 40.85 C +ATOM 461 CG LEU B 222 28.073 40.262 -5.156 1.00 42.85 C +ATOM 462 CD1 LEU B 222 26.736 39.498 -5.017 1.00 29.73 C +ATOM 463 CD2 LEU B 222 29.263 39.370 -4.804 1.00 33.85 C +ATOM 464 N SER B 223 28.131 44.043 -6.668 1.00 43.67 N +ATOM 465 CA SER B 223 28.152 45.376 -6.014 1.00 45.92 C +ATOM 466 C SER B 223 26.909 46.204 -6.340 1.00 45.80 C +ATOM 467 O SER B 223 26.500 47.049 -5.536 1.00 47.95 O +ATOM 468 CB SER B 223 29.395 46.191 -6.428 1.00 47.01 C +ATOM 469 OG SER B 223 30.608 45.538 -6.076 1.00 44.51 O +ATOM 470 N GLU B 224 26.331 45.975 -7.521 1.00 45.96 N +ATOM 471 CA GLU B 224 25.091 46.646 -7.911 1.00 48.39 C +ATOM 472 C GLU B 224 23.950 46.168 -7.024 1.00 49.03 C +ATOM 473 O GLU B 224 23.219 46.971 -6.459 1.00 49.11 O +ATOM 474 CB GLU B 224 24.745 46.393 -9.385 1.00 48.86 C +ATOM 475 CG GLU B 224 25.784 46.890 -10.398 1.00 57.14 C +ATOM 476 CD GLU B 224 25.972 48.408 -10.402 1.00 70.41 C +ATOM 477 OE1 GLU B 224 25.052 49.139 -9.961 1.00 82.06 O +ATOM 478 OE2 GLU B 224 27.042 48.871 -10.863 1.00 68.42 O +ATOM 479 N ILE B 225 23.824 44.851 -6.892 1.00 49.38 N +ATOM 480 CA ILE B 225 22.823 44.244 -6.003 1.00 48.66 C +ATOM 481 C ILE B 225 22.998 44.646 -4.553 1.00 47.29 C +ATOM 482 O ILE B 225 22.059 45.085 -3.927 1.00 51.62 O +ATOM 483 CB ILE B 225 22.877 42.699 -6.031 1.00 49.84 C +ATOM 484 CG1 ILE B 225 22.517 42.148 -7.416 1.00 53.44 C +ATOM 485 CG2 ILE B 225 21.925 42.128 -4.997 1.00 53.21 C +ATOM 486 CD1 ILE B 225 22.705 40.647 -7.550 1.00 55.14 C +ATOM 487 N THR B 226 24.202 44.494 -4.017 1.00 47.08 N +ATOM 488 CA THR B 226 24.417 44.560 -2.557 1.00 44.08 C +ATOM 489 C THR B 226 24.891 45.901 -2.057 1.00 44.81 C +ATOM 490 O THR B 226 24.939 46.109 -0.841 1.00 48.63 O +ATOM 491 CB THR B 226 25.470 43.545 -2.112 1.00 42.38 C +ATOM 492 OG1 THR B 226 26.727 43.828 -2.744 1.00 35.45 O +ATOM 493 CG2 THR B 226 25.038 42.177 -2.504 1.00 40.38 C +ATOM 494 N ASN B 227 25.275 46.790 -2.973 1.00 43.63 N +ATOM 495 CA ASN B 227 25.926 48.048 -2.599 1.00 47.38 C +ATOM 496 C ASN B 227 27.188 47.815 -1.734 1.00 46.00 C +ATOM 497 O ASN B 227 27.559 48.659 -0.910 1.00 46.47 O +ATOM 498 CB ASN B 227 24.934 48.990 -1.876 1.00 51.36 C +ATOM 499 CG ASN B 227 23.896 49.624 -2.822 1.00 54.79 C +ATOM 500 OD1 ASN B 227 23.491 49.034 -3.834 1.00 57.38 O +ATOM 501 ND2 ASN B 227 23.455 50.832 -2.472 1.00 58.57 N +ATOM 502 N GLN B 228 27.839 46.664 -1.931 1.00 42.61 N +ATOM 503 CA GLN B 228 29.074 46.317 -1.215 1.00 39.23 C +ATOM 504 C GLN B 228 30.106 45.895 -2.248 1.00 39.17 C +ATOM 505 O GLN B 228 29.814 45.083 -3.142 1.00 38.37 O +ATOM 506 CB GLN B 228 28.808 45.193 -0.215 1.00 37.66 C +ATOM 507 CG GLN B 228 30.054 44.640 0.521 1.00 42.08 C +ATOM 508 CD GLN B 228 29.719 43.490 1.494 1.00 38.02 C +ATOM 509 OE1 GLN B 228 28.704 43.535 2.199 1.00 41.48 O +ATOM 510 NE2 GLN B 228 30.573 42.455 1.526 1.00 23.47 N +ATOM 511 N LYS B 229 31.306 46.452 -2.134 1.00 42.15 N +ATOM 512 CA LYS B 229 32.370 46.223 -3.121 1.00 44.04 C +ATOM 513 C LYS B 229 33.364 45.114 -2.728 1.00 43.35 C +ATOM 514 O LYS B 229 34.063 44.582 -3.597 1.00 44.53 O +ATOM 515 CB LYS B 229 33.121 47.535 -3.378 1.00 45.88 C +ATOM 516 CG LYS B 229 32.232 48.666 -3.884 1.00 50.20 C +ATOM 517 CD LYS B 229 33.042 49.918 -4.175 1.00 57.96 C +ATOM 518 N THR B 230 33.408 44.761 -1.438 1.00 38.44 N +ATOM 519 CA THR B 230 34.389 43.805 -0.903 1.00 36.81 C +ATOM 520 C THR B 230 33.839 42.378 -0.799 1.00 34.57 C +ATOM 521 O THR B 230 32.632 42.166 -0.796 1.00 31.51 O +ATOM 522 CB THR B 230 34.888 44.235 0.514 1.00 37.51 C +ATOM 523 OG1 THR B 230 33.765 44.520 1.363 1.00 36.67 O +ATOM 524 CG2 THR B 230 35.760 45.480 0.425 1.00 39.94 C +ATOM 525 N VAL B 231 34.751 41.411 -0.723 1.00 31.13 N +ATOM 526 CA VAL B 231 34.427 40.050 -0.296 1.00 28.97 C +ATOM 527 C VAL B 231 35.169 39.807 1.027 1.00 27.26 C +ATOM 528 O VAL B 231 36.224 40.398 1.252 1.00 27.13 O +ATOM 529 CB VAL B 231 34.826 38.967 -1.373 1.00 28.19 C +ATOM 530 CG1 VAL B 231 34.277 39.354 -2.738 1.00 33.36 C +ATOM 531 CG2 VAL B 231 36.327 38.783 -1.430 1.00 30.82 C +ATOM 532 N PRO B 232 34.648 38.915 1.884 1.00 25.26 N +ATOM 533 CA PRO B 232 33.457 38.106 1.623 1.00 24.11 C +ATOM 534 C PRO B 232 32.162 38.897 1.667 1.00 23.76 C +ATOM 535 O PRO B 232 32.124 40.021 2.194 1.00 22.89 O +ATOM 536 CB PRO B 232 33.502 37.037 2.728 1.00 26.47 C +ATOM 537 CG PRO B 232 34.225 37.708 3.849 1.00 26.28 C +ATOM 538 CD PRO B 232 35.301 38.524 3.139 1.00 24.11 C +ATOM 539 N ASN B 233 31.113 38.309 1.100 1.00 22.61 N +ATOM 540 CA ASN B 233 29.805 38.937 1.050 1.00 21.60 C +ATOM 541 C ASN B 233 28.814 37.807 1.304 1.00 21.98 C +ATOM 542 O ASN B 233 28.703 36.839 0.504 1.00 21.33 O +ATOM 543 CB ASN B 233 29.621 39.593 -0.327 1.00 22.87 C +ATOM 544 CG ASN B 233 28.461 40.595 -0.380 1.00 31.90 C +ATOM 545 OD1 ASN B 233 27.574 40.600 0.477 1.00 37.11 O +ATOM 546 ND2 ASN B 233 28.464 41.437 -1.405 1.00 29.22 N +ATOM 547 N ILE B 234 28.151 37.893 2.456 1.00 16.07 N +ATOM 548 CA ILE B 234 27.376 36.813 3.003 1.00 13.29 C +ATOM 549 C ILE B 234 25.901 37.171 2.944 1.00 14.84 C +ATOM 550 O ILE B 234 25.512 38.277 3.351 1.00 14.80 O +ATOM 551 CB ILE B 234 27.775 36.590 4.524 1.00 15.62 C +ATOM 552 CG1 ILE B 234 29.233 36.164 4.627 1.00 22.55 C +ATOM 553 CG2 ILE B 234 26.967 35.526 5.195 1.00 16.69 C +ATOM 554 CD1 ILE B 234 30.173 37.267 4.501 1.00 27.45 C +ATOM 555 N PHE B 235 25.095 36.208 2.465 1.00 15.08 N +ATOM 556 CA PHE B 235 23.656 36.229 2.601 1.00 14.41 C +ATOM 557 C PHE B 235 23.217 35.065 3.449 1.00 13.98 C +ATOM 558 O PHE B 235 23.728 33.941 3.295 1.00 14.72 O +ATOM 559 CB PHE B 235 23.010 36.123 1.244 1.00 14.92 C +ATOM 560 CG PHE B 235 23.065 37.377 0.488 1.00 11.75 C +ATOM 561 CD1 PHE B 235 21.974 38.219 0.465 1.00 21.51 C +ATOM 562 CD2 PHE B 235 24.228 37.731 -0.209 1.00 19.04 C +ATOM 563 CE1 PHE B 235 22.028 39.438 -0.254 1.00 23.90 C +ATOM 564 CE2 PHE B 235 24.298 38.918 -0.908 1.00 22.49 C +ATOM 565 CZ PHE B 235 23.195 39.784 -0.918 1.00 21.35 C +ATOM 566 N VAL B 236 22.280 35.320 4.356 1.00 15.87 N +ATOM 567 CA VAL B 236 21.628 34.222 5.089 1.00 16.04 C +ATOM 568 C VAL B 236 20.098 34.300 4.918 1.00 15.58 C +ATOM 569 O VAL B 236 19.477 35.276 5.327 1.00 16.40 O +ATOM 570 CB VAL B 236 21.965 34.260 6.572 1.00 18.42 C +ATOM 571 CG1 VAL B 236 21.281 33.094 7.300 1.00 10.54 C +ATOM 572 CG2 VAL B 236 23.461 34.226 6.777 1.00 9.75 C +ATOM 573 N ASN B 237 19.512 33.259 4.331 1.00 13.51 N +ATOM 574 CA ASN B 237 18.057 33.183 4.121 1.00 15.78 C +ATOM 575 C ASN B 237 17.503 34.401 3.390 1.00 18.73 C +ATOM 576 O ASN B 237 16.471 34.956 3.750 1.00 21.29 O +ATOM 577 CB ASN B 237 17.327 32.875 5.451 1.00 20.04 C +ATOM 578 CG ASN B 237 17.331 31.370 5.763 1.00 25.49 C +ATOM 579 OD1 ASN B 237 17.232 30.572 4.847 1.00 26.67 O +ATOM 580 ND2 ASN B 237 17.486 30.993 7.029 1.00 21.53 N +ATOM 581 N LYS B 238 18.249 34.796 2.356 1.00 19.59 N +ATOM 582 CA LYS B 238 17.936 35.908 1.467 1.00 22.14 C +ATOM 583 C LYS B 238 18.258 37.279 2.018 1.00 21.58 C +ATOM 584 O LYS B 238 18.005 38.258 1.340 1.00 23.79 O +ATOM 585 CB LYS B 238 16.469 35.889 0.986 1.00 20.50 C +ATOM 586 CG LYS B 238 15.945 34.541 0.458 1.00 31.00 C +ATOM 587 CD LYS B 238 14.453 34.659 0.144 1.00 38.41 C +ATOM 588 CE LYS B 238 13.912 33.554 -0.766 1.00 52.64 C +ATOM 589 NZ LYS B 238 13.464 32.327 -0.027 1.00 49.73 N +ATOM 590 N VAL B 239 18.855 37.365 3.205 1.00 21.25 N +ATOM 591 CA VAL B 239 19.098 38.653 3.853 1.00 14.00 C +ATOM 592 C VAL B 239 20.578 38.883 3.771 1.00 17.85 C +ATOM 593 O VAL B 239 21.373 38.042 4.198 1.00 17.55 O +ATOM 594 CB VAL B 239 18.624 38.625 5.369 1.00 17.16 C +ATOM 595 CG1 VAL B 239 18.968 39.937 6.137 1.00 16.83 C +ATOM 596 CG2 VAL B 239 17.123 38.312 5.473 1.00 16.97 C +ATOM 597 N HIS B 240 20.954 40.052 3.266 1.00 18.83 N +ATOM 598 CA HIS B 240 22.352 40.426 3.164 1.00 18.41 C +ATOM 599 C HIS B 240 22.936 40.704 4.541 1.00 18.19 C +ATOM 600 O HIS B 240 22.513 41.631 5.163 1.00 19.82 O +ATOM 601 CB HIS B 240 22.489 41.701 2.310 1.00 18.00 C +ATOM 602 CG HIS B 240 23.908 42.134 2.132 1.00 20.93 C +ATOM 603 ND1 HIS B 240 24.303 43.448 2.222 1.00 26.32 N +ATOM 604 CD2 HIS B 240 25.028 41.416 1.861 1.00 24.58 C +ATOM 605 CE1 HIS B 240 25.602 43.529 1.987 1.00 30.60 C +ATOM 606 NE2 HIS B 240 26.066 42.312 1.764 1.00 26.88 N +ATOM 607 N VAL B 241 23.910 39.912 5.009 1.00 20.61 N +ATOM 608 CA VAL B 241 24.500 40.142 6.344 1.00 19.43 C +ATOM 609 C VAL B 241 25.703 41.068 6.202 1.00 21.95 C +ATOM 610 O VAL B 241 25.912 41.960 7.015 1.00 23.10 O +ATOM 611 CB VAL B 241 24.927 38.829 7.026 1.00 22.98 C +ATOM 612 CG1 VAL B 241 25.745 39.100 8.264 1.00 22.05 C +ATOM 613 CG2 VAL B 241 23.687 37.974 7.366 1.00 21.07 C +ATOM 614 N GLY B 242 26.490 40.874 5.146 1.00 22.85 N +ATOM 615 CA GLY B 242 27.591 41.800 4.844 1.00 19.53 C +ATOM 616 C GLY B 242 28.906 41.077 4.772 1.00 21.13 C +ATOM 617 O GLY B 242 28.962 39.988 4.238 1.00 21.54 O +ATOM 618 N GLY B 243 29.966 41.704 5.293 1.00 23.63 N +ATOM 619 CA GLY B 243 31.294 41.094 5.332 1.00 22.37 C +ATOM 620 C GLY B 243 31.571 40.270 6.578 1.00 21.00 C +ATOM 621 O GLY B 243 30.651 39.912 7.342 1.00 19.99 O +ATOM 622 N CYS B 244 32.853 39.998 6.782 1.00 19.40 N +ATOM 623 CA CYS B 244 33.320 39.142 7.863 1.00 25.59 C +ATOM 624 C CYS B 244 32.977 39.767 9.214 1.00 25.45 C +ATOM 625 O CYS B 244 32.369 39.123 10.062 1.00 25.38 O +ATOM 626 CB CYS B 244 34.837 38.916 7.765 1.00 25.95 C +ATOM 627 SG CYS B 244 35.501 37.760 9.016 1.00 31.83 S +ATOM 628 N ASP B 245 33.359 41.026 9.393 1.00 27.15 N +ATOM 629 CA ASP B 245 33.141 41.742 10.663 1.00 29.17 C +ATOM 630 C ASP B 245 31.658 41.766 11.008 1.00 25.56 C +ATOM 631 O ASP B 245 31.279 41.453 12.139 1.00 21.37 O +ATOM 632 CB ASP B 245 33.678 43.188 10.574 1.00 33.18 C +ATOM 633 CG ASP B 245 35.226 43.252 10.502 1.00 49.37 C +ATOM 634 OD1 ASP B 245 35.906 42.313 10.992 1.00 51.82 O +ATOM 635 OD2 ASP B 245 35.754 44.244 9.945 1.00 58.69 O +ATOM 636 N GLN B 246 30.820 42.073 10.016 1.00 21.47 N +ATOM 637 CA GLN B 246 29.377 42.156 10.241 1.00 19.01 C +ATOM 638 C GLN B 246 28.787 40.815 10.578 1.00 19.04 C +ATOM 639 O GLN B 246 27.851 40.731 11.403 1.00 18.81 O +ATOM 640 CB GLN B 246 28.678 42.786 9.041 1.00 20.47 C +ATOM 641 CG GLN B 246 28.966 44.271 8.929 1.00 23.71 C +ATOM 642 CD GLN B 246 28.621 44.828 7.556 1.00 34.92 C +ATOM 643 OE1 GLN B 246 29.113 44.338 6.568 1.00 24.58 O +ATOM 644 NE2 GLN B 246 27.783 45.861 7.504 1.00 36.27 N +ATOM 645 N THR B 247 29.351 39.762 9.966 1.00 15.90 N +ATOM 646 CA THR B 247 28.931 38.422 10.240 1.00 16.39 C +ATOM 647 C THR B 247 29.256 37.977 11.662 1.00 18.20 C +ATOM 648 O THR B 247 28.443 37.296 12.309 1.00 16.65 O +ATOM 649 CB THR B 247 29.492 37.449 9.205 1.00 19.84 C +ATOM 650 OG1 THR B 247 28.986 37.790 7.901 1.00 22.51 O +ATOM 651 CG2 THR B 247 29.060 36.053 9.519 1.00 20.84 C +ATOM 652 N PHE B 248 30.435 38.346 12.153 1.00 17.05 N +ATOM 653 CA PHE B 248 30.801 38.079 13.561 1.00 19.46 C +ATOM 654 C PHE B 248 29.967 38.926 14.524 1.00 16.43 C +ATOM 655 O PHE B 248 29.507 38.448 15.539 1.00 19.49 O +ATOM 656 CB PHE B 248 32.334 38.182 13.796 1.00 17.74 C +ATOM 657 CG PHE B 248 33.077 36.896 13.412 1.00 19.66 C +ATOM 658 CD1 PHE B 248 33.242 35.881 14.326 1.00 13.80 C +ATOM 659 CD2 PHE B 248 33.519 36.692 12.128 1.00 15.10 C +ATOM 660 CE1 PHE B 248 33.865 34.688 13.981 1.00 21.92 C +ATOM 661 CE2 PHE B 248 34.133 35.495 11.762 1.00 16.48 C +ATOM 662 CZ PHE B 248 34.313 34.497 12.691 1.00 22.27 C +ATOM 663 N GLN B 249 29.714 40.172 14.187 1.00 17.21 N +ATOM 664 CA GLN B 249 28.774 41.002 14.973 1.00 18.91 C +ATOM 665 C GLN B 249 27.381 40.410 15.083 1.00 20.57 C +ATOM 666 O GLN B 249 26.816 40.355 16.180 1.00 20.30 O +ATOM 667 CB GLN B 249 28.712 42.410 14.385 1.00 22.44 C +ATOM 668 CG GLN B 249 30.010 43.215 14.663 1.00 32.48 C +ATOM 669 CD GLN B 249 30.268 44.375 13.659 1.00 51.55 C +ATOM 670 OE1 GLN B 249 29.449 44.674 12.779 1.00 60.06 O +ATOM 671 NE2 GLN B 249 31.426 45.014 13.796 1.00 51.57 N +ATOM 672 N ALA B 250 26.843 39.918 13.968 1.00 18.95 N +ATOM 673 CA ALA B 250 25.566 39.201 13.983 1.00 15.53 C +ATOM 674 C ALA B 250 25.624 37.965 14.853 1.00 15.07 C +ATOM 675 O ALA B 250 24.622 37.601 15.524 1.00 16.93 O +ATOM 676 CB ALA B 250 25.142 38.791 12.563 1.00 12.98 C +ATOM 677 N TYR B 251 26.776 37.298 14.849 1.00 18.44 N +ATOM 678 CA TYR B 251 26.952 36.114 15.705 1.00 17.63 C +ATOM 679 C TYR B 251 26.873 36.527 17.180 1.00 18.30 C +ATOM 680 O TYR B 251 26.145 35.930 17.958 1.00 19.05 O +ATOM 681 CB TYR B 251 28.285 35.417 15.404 1.00 19.48 C +ATOM 682 CG TYR B 251 28.524 34.114 16.175 1.00 17.72 C +ATOM 683 CD1 TYR B 251 27.522 33.161 16.320 1.00 17.86 C +ATOM 684 CD2 TYR B 251 29.769 33.817 16.721 1.00 25.19 C +ATOM 685 CE1 TYR B 251 27.751 31.941 17.030 1.00 15.37 C +ATOM 686 CE2 TYR B 251 30.012 32.592 17.421 1.00 20.22 C +ATOM 687 CZ TYR B 251 29.008 31.684 17.583 1.00 21.38 C +ATOM 688 OH TYR B 251 29.252 30.505 18.275 1.00 30.93 O +ATOM 689 N GLN B 252 27.584 37.589 17.521 1.00 18.41 N +ATOM 690 CA GLN B 252 27.623 38.104 18.880 1.00 20.16 C +ATOM 691 C GLN B 252 26.280 38.596 19.401 1.00 23.99 C +ATOM 692 O GLN B 252 25.963 38.366 20.590 1.00 20.98 O +ATOM 693 CB GLN B 252 28.639 39.247 19.007 1.00 21.27 C +ATOM 694 CG GLN B 252 28.726 39.788 20.441 1.00 22.79 C +ATOM 695 CD GLN B 252 29.434 41.095 20.557 1.00 24.77 C +ATOM 696 OE1 GLN B 252 29.062 41.897 21.395 1.00 28.81 O +ATOM 697 NE2 GLN B 252 30.462 41.330 19.728 1.00 20.08 N +ATOM 698 N SER B 253 25.514 39.285 18.543 1.00 18.39 N +ATOM 699 CA SER B 253 24.226 39.857 18.949 1.00 20.27 C +ATOM 700 C SER B 253 23.067 38.835 19.088 1.00 20.98 C +ATOM 701 O SER B 253 22.073 39.112 19.767 1.00 22.83 O +ATOM 702 CB SER B 253 23.793 40.927 17.950 1.00 15.41 C +ATOM 703 OG SER B 253 23.378 40.296 16.742 1.00 20.79 O +ATOM 704 N GLY B 254 23.211 37.676 18.461 1.00 17.30 N +ATOM 705 CA GLY B 254 22.159 36.678 18.367 1.00 15.65 C +ATOM 706 C GLY B 254 21.401 36.737 17.023 1.00 18.23 C +ATOM 707 O GLY B 254 20.572 35.863 16.724 1.00 19.44 O +ATOM 708 N LEU B 255 21.664 37.771 16.221 1.00 16.06 N +ATOM 709 CA LEU B 255 20.944 37.976 14.958 1.00 17.96 C +ATOM 710 C LEU B 255 21.214 36.868 13.952 1.00 17.50 C +ATOM 711 O LEU B 255 20.303 36.439 13.242 1.00 22.08 O +ATOM 712 CB LEU B 255 21.316 39.323 14.325 1.00 23.09 C +ATOM 713 CG LEU B 255 20.896 39.568 12.867 1.00 30.18 C +ATOM 714 CD1 LEU B 255 19.397 39.546 12.746 1.00 38.69 C +ATOM 715 CD2 LEU B 255 21.424 40.885 12.344 1.00 28.41 C +ATOM 716 N LEU B 256 22.449 36.373 13.906 1.00 17.44 N +ATOM 717 CA LEU B 256 22.798 35.302 12.944 1.00 18.42 C +ATOM 718 C LEU B 256 22.030 34.022 13.209 1.00 17.41 C +ATOM 719 O LEU B 256 21.483 33.420 12.282 1.00 24.07 O +ATOM 720 CB LEU B 256 24.291 35.028 12.938 1.00 17.76 C +ATOM 721 CG LEU B 256 24.820 34.167 11.804 1.00 26.84 C +ATOM 722 CD1 LEU B 256 24.556 34.832 10.467 1.00 19.88 C +ATOM 723 CD2 LEU B 256 26.316 33.953 12.029 1.00 16.86 C +ATOM 724 N GLN B 257 21.919 33.647 14.477 1.00 18.14 N +ATOM 725 CA GLN B 257 21.188 32.432 14.865 1.00 18.00 C +ATOM 726 C GLN B 257 19.700 32.572 14.609 1.00 17.51 C +ATOM 727 O GLN B 257 19.047 31.606 14.244 1.00 16.16 O +ATOM 728 CB GLN B 257 21.450 32.087 16.349 1.00 21.55 C +ATOM 729 N LYS B 258 19.162 33.775 14.792 1.00 18.98 N +ATOM 730 CA LYS B 258 17.758 34.050 14.453 1.00 20.45 C +ATOM 731 C LYS B 258 17.479 33.972 12.942 1.00 16.60 C +ATOM 732 O LYS B 258 16.457 33.476 12.524 1.00 15.80 O +ATOM 733 CB LYS B 258 17.347 35.437 14.965 1.00 21.36 C +ATOM 734 CG LYS B 258 17.059 35.467 16.466 1.00 31.38 C +ATOM 735 CD LYS B 258 15.672 34.836 16.780 1.00 32.16 C +ATOM 736 CE LYS B 258 15.405 34.670 18.292 1.00 38.49 C +ATOM 737 NZ LYS B 258 16.645 34.659 19.120 1.00 34.10 N +ATOM 738 N LEU B 259 18.405 34.452 12.136 1.00 17.43 N +ATOM 739 CA LEU B 259 18.270 34.345 10.680 1.00 17.62 C +ATOM 740 C LEU B 259 18.311 32.892 10.211 1.00 19.59 C +ATOM 741 O LEU B 259 17.648 32.504 9.244 1.00 21.14 O +ATOM 742 CB LEU B 259 19.409 35.090 10.032 1.00 15.02 C +ATOM 743 CG LEU B 259 19.324 36.605 10.173 1.00 18.91 C +ATOM 744 CD1 LEU B 259 20.480 37.207 9.419 1.00 21.80 C +ATOM 745 CD2 LEU B 259 17.974 37.168 9.627 1.00 24.75 C +ATOM 746 N LEU B 260 19.091 32.093 10.923 1.00 23.90 N +ATOM 747 CA LEU B 260 19.262 30.674 10.602 1.00 25.58 C +ATOM 748 C LEU B 260 18.124 29.816 11.127 1.00 26.50 C +ATOM 749 O LEU B 260 17.868 28.766 10.576 1.00 28.26 O +ATOM 750 CB LEU B 260 20.587 30.136 11.153 1.00 22.97 C +ATOM 751 CG LEU B 260 21.875 30.544 10.422 1.00 26.36 C +ATOM 752 CD1 LEU B 260 23.131 30.236 11.339 1.00 23.08 C +ATOM 753 CD2 LEU B 260 21.986 29.832 9.050 1.00 20.16 C +ATOM 754 N GLN B 261 17.419 30.265 12.160 1.00 30.74 N +ATOM 755 CA GLN B 261 16.462 29.392 12.820 1.00 32.31 C +ATOM 756 C GLN B 261 15.139 29.251 12.040 1.00 33.76 C +ATOM 757 O GLN B 261 14.854 29.999 11.090 1.00 31.15 O +ATOM 758 CB GLN B 261 16.271 29.790 14.297 1.00 34.17 C +ATOM 759 CG GLN B 261 15.213 30.868 14.601 1.00 42.65 C +ATOM 760 CD GLN B 261 14.785 30.857 16.093 1.00 47.06 C +ATOM 761 OE1 GLN B 261 15.631 30.857 16.991 1.00 46.53 O +ATOM 762 NE2 GLN B 261 13.469 30.835 16.347 1.00 42.70 N +ATOM 763 N GLU B 262 14.389 28.216 12.409 1.00 37.51 N +ATOM 764 CA GLU B 262 13.070 27.917 11.844 1.00 40.76 C +ATOM 765 C GLU B 262 12.028 28.999 12.201 1.00 39.81 C +ATOM 766 O GLU B 262 11.982 29.503 13.327 1.00 38.52 O +ATOM 767 CB GLU B 262 12.575 26.557 12.355 1.00 39.41 C +ATOM 768 N ASP B 263 11.200 29.342 11.225 1.00 42.40 N +ATOM 769 CA ASP B 263 10.118 30.305 11.417 1.00 44.39 C +ATOM 770 C ASP B 263 8.914 29.675 12.155 1.00 42.07 C +ATOM 771 O ASP B 263 8.637 28.464 12.050 1.00 38.64 O +ATOM 772 CB ASP B 263 9.671 30.905 10.067 1.00 47.23 C +ATOM 773 CG ASP B 263 10.780 31.724 9.375 1.00 58.96 C +ATOM 774 OD1 ASP B 263 11.962 31.573 9.768 1.00 66.45 O +ATOM 775 OD2 ASP B 263 10.474 32.526 8.440 1.00 61.80 O +ATOM 776 N LEU B 264 8.232 30.515 12.930 1.00 36.97 N +ATOM 777 CA LEU B 264 6.998 30.145 13.612 1.00 34.51 C +ATOM 778 C LEU B 264 5.875 30.007 12.577 1.00 31.87 C +ATOM 779 O LEU B 264 5.503 30.993 11.945 1.00 29.44 O +ATOM 780 CB LEU B 264 6.637 31.240 14.645 1.00 33.82 C +ATOM 781 CG LEU B 264 5.308 31.189 15.433 1.00 34.49 C +ATOM 782 CD1 LEU B 264 4.961 29.803 15.748 1.00 21.89 C +ATOM 783 CD2 LEU B 264 5.361 32.004 16.730 1.00 23.68 C +ATOM 784 N ALA B 265 5.364 28.781 12.410 1.00 35.85 N +ATOM 785 CA ALA B 265 4.181 28.492 11.575 1.00 34.81 C +ATOM 786 C ALA B 265 3.083 29.487 11.843 1.00 38.31 C +ATOM 787 O ALA B 265 2.448 29.987 10.912 1.00 36.25 O +ATOM 788 CB ALA B 265 3.638 27.070 11.846 1.00 34.65 C +ATOM 789 N TYR B 266 2.870 29.783 13.126 1.00 38.28 N +ATOM 790 CA TYR B 266 1.753 30.614 13.546 1.00 39.10 C +ATOM 791 C TYR B 266 1.907 32.092 13.134 1.00 40.18 C +ATOM 792 O TYR B 266 0.950 32.865 13.224 1.00 36.05 O +ATOM 793 CB TYR B 266 1.456 30.374 15.050 1.00 40.64 C +ATOM 794 CG TYR B 266 1.084 28.906 15.306 1.00 44.85 C +ATOM 795 CD1 TYR B 266 -0.200 28.423 15.023 1.00 51.27 C +ATOM 796 CD2 TYR B 266 2.037 27.980 15.748 1.00 54.20 C +ATOM 797 CE1 TYR B 266 -0.537 27.066 15.224 1.00 51.50 C +ATOM 798 CE2 TYR B 266 1.708 26.621 15.946 1.00 44.28 C +ATOM 799 CZ TYR B 266 0.427 26.175 15.685 1.00 47.93 C +ATOM 800 OH TYR B 266 0.120 24.845 15.891 1.00 40.60 O +ATOM 801 N ASP B 267 3.090 32.480 12.650 1.00 42.86 N +ATOM 802 CA ASP B 267 3.278 33.813 12.033 1.00 48.07 C +ATOM 803 C ASP B 267 3.081 33.717 10.505 1.00 48.56 C +ATOM 804 O ASP B 267 2.935 34.735 9.845 1.00 46.97 O +ATOM 805 CB ASP B 267 4.671 34.432 12.360 1.00 48.68 C +ATOM 806 CG ASP B 267 4.902 34.693 13.880 1.00 60.94 C +ATOM 807 OD1 ASP B 267 3.945 35.083 14.593 1.00 63.32 O +ATOM 808 OD2 ASP B 267 6.058 34.529 14.365 1.00 57.05 O +ATOM 809 N ALA B 268 3.080 32.484 9.980 1.00 52.34 N +ATOM 810 CA ALA B 268 2.951 32.161 8.543 1.00 52.64 C +ATOM 811 C ALA B 268 4.254 32.434 7.744 1.00 54.45 C +ATOM 812 O ALA B 268 5.209 31.621 7.728 1.00 52.65 O +ATOM 813 CB ALA B 268 1.720 32.888 7.914 1.00 51.96 C Added: SwiftApps/modFTdock/input/indata/3hm5-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3hm5-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3hm5-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,644 @@ +ATOM 1 N GLN A 134 9.267 23.122 -6.076 1.00 29.91 N +ATOM 2 CA GLN A 134 9.834 22.225 -5.039 1.00 28.86 C +ATOM 3 C GLN A 134 9.683 22.817 -3.616 1.00 27.16 C +ATOM 4 O GLN A 134 9.723 24.018 -3.397 1.00 26.59 O +ATOM 5 CB GLN A 134 11.324 22.009 -5.270 1.00 30.57 C +ATOM 6 CG GLN A 134 11.720 21.386 -6.595 1.00 33.89 C +ATOM 7 CD GLN A 134 13.216 21.420 -6.753 1.00 38.73 C +ATOM 8 OE1 GLN A 134 13.881 22.325 -6.238 1.00 40.52 O +ATOM 9 NE2 GLN A 134 13.760 20.452 -7.476 1.00 42.65 N +ATOM 10 N VAL A 135 9.635 21.926 -2.646 1.00 25.30 N +ATOM 11 CA VAL A 135 9.465 22.330 -1.268 1.00 22.73 C +ATOM 12 C VAL A 135 10.823 22.647 -0.700 1.00 20.78 C +ATOM 13 O VAL A 135 11.729 21.798 -0.734 1.00 20.64 O +ATOM 14 CB VAL A 135 8.745 21.213 -0.509 1.00 22.74 C +ATOM 15 CG1 VAL A 135 8.554 21.552 0.976 1.00 21.57 C +ATOM 16 CG2 VAL A 135 7.417 20.959 -1.186 1.00 20.58 C +ATOM 17 N PRO A 136 10.988 23.852 -0.122 1.00 18.40 N +ATOM 18 CA PRO A 136 12.251 24.148 0.587 1.00 17.57 C +ATOM 19 C PRO A 136 12.556 23.155 1.707 1.00 17.80 C +ATOM 20 O PRO A 136 11.642 22.552 2.250 1.00 18.16 O +ATOM 21 CB PRO A 136 12.011 25.541 1.176 1.00 17.71 C +ATOM 22 CG PRO A 136 10.941 26.122 0.288 1.00 17.31 C +ATOM 23 CD PRO A 136 10.047 24.977 -0.014 1.00 19.74 C +ATOM 24 N VAL A 137 13.825 23.029 2.069 1.00 17.63 N +ATOM 25 CA VAL A 137 14.254 22.198 3.189 1.00 17.41 C +ATOM 26 C VAL A 137 15.038 23.101 4.130 1.00 17.93 C +ATOM 27 O VAL A 137 16.102 23.626 3.778 1.00 18.99 O +ATOM 28 CB VAL A 137 15.122 21.012 2.726 1.00 16.29 C +ATOM 29 CG1 VAL A 137 15.436 20.109 3.894 1.00 19.64 C +ATOM 30 CG2 VAL A 137 14.426 20.255 1.624 1.00 16.92 C +ATOM 31 N TYR A 138 14.533 23.274 5.342 1.00 17.31 N +ATOM 32 CA TYR A 138 15.244 24.068 6.332 1.00 16.09 C +ATOM 33 C TYR A 138 16.123 23.154 7.176 1.00 18.62 C +ATOM 34 O TYR A 138 15.783 21.981 7.455 1.00 19.15 O +ATOM 35 CB TYR A 138 14.293 24.865 7.214 1.00 15.43 C +ATOM 36 CG TYR A 138 13.118 24.079 7.747 1.00 14.47 C +ATOM 37 CD1 TYR A 138 13.256 23.191 8.825 1.00 16.74 C +ATOM 38 CD2 TYR A 138 11.843 24.228 7.179 1.00 13.94 C +ATOM 39 CE1 TYR A 138 12.154 22.458 9.288 1.00 15.00 C +ATOM 40 CE2 TYR A 138 10.756 23.522 7.647 1.00 10.86 C +ATOM 41 CZ TYR A 138 10.902 22.652 8.702 1.00 13.30 C +ATOM 42 OH TYR A 138 9.805 21.966 9.179 1.00 14.50 O +ATOM 43 N SER A 139 17.279 23.681 7.568 1.00 20.21 N +ATOM 44 CA SER A 139 18.123 23.011 8.559 1.00 21.06 C +ATOM 45 C SER A 139 17.580 23.176 9.964 1.00 21.51 C +ATOM 46 O SER A 139 16.739 24.026 10.226 1.00 19.99 O +ATOM 47 CB SER A 139 19.547 23.549 8.488 1.00 21.18 C +ATOM 48 OG SER A 139 19.627 24.883 8.920 1.00 21.89 O +ATOM 49 N GLU A 140 18.090 22.363 10.895 1.00 22.80 N +ATOM 50 CA GLU A 140 17.661 22.476 12.280 1.00 22.89 C +ATOM 51 C GLU A 140 18.011 23.863 12.823 1.00 23.02 C +ATOM 52 O GLU A 140 17.221 24.483 13.551 1.00 22.29 O +ATOM 53 CB GLU A 140 18.261 21.355 13.162 1.00 23.99 C +ATOM 54 N GLN A 141 19.204 24.352 12.481 1.00 23.33 N +ATOM 55 CA GLN A 141 19.644 25.661 12.918 1.00 24.03 C +ATOM 56 C GLN A 141 18.774 26.752 12.322 1.00 21.36 C +ATOM 57 O GLN A 141 18.431 27.709 12.996 1.00 22.00 O +ATOM 58 CB GLN A 141 21.093 25.914 12.532 1.00 24.73 C +ATOM 59 CG GLN A 141 21.580 27.277 12.965 1.00 30.32 C +ATOM 60 CD GLN A 141 23.062 27.464 12.721 1.00 36.80 C +ATOM 61 OE1 GLN A 141 23.722 26.593 12.158 1.00 44.37 O +ATOM 62 NE2 GLN A 141 23.588 28.607 13.129 1.00 40.49 N +ATOM 63 N GLU A 142 18.422 26.606 11.045 1.00 20.18 N +ATOM 64 CA GLU A 142 17.525 27.560 10.423 1.00 18.39 C +ATOM 65 C GLU A 142 16.175 27.639 11.147 1.00 17.37 C +ATOM 66 O GLU A 142 15.665 28.727 11.394 1.00 16.17 O +ATOM 67 CB GLU A 142 17.309 27.247 8.935 1.00 18.19 C +ATOM 68 CG GLU A 142 18.366 27.830 8.042 1.00 17.69 C +ATOM 69 CD GLU A 142 18.259 27.389 6.604 1.00 20.68 C +ATOM 70 OE1 GLU A 142 17.742 26.273 6.340 1.00 20.55 O +ATOM 71 OE2 GLU A 142 18.671 28.176 5.717 1.00 17.91 O +ATOM 72 N TYR A 143 15.580 26.491 11.445 1.00 17.77 N +ATOM 73 CA TYR A 143 14.367 26.484 12.215 1.00 17.03 C +ATOM 74 C TYR A 143 14.521 27.231 13.568 1.00 17.46 C +ATOM 75 O TYR A 143 13.693 28.051 13.950 1.00 17.18 O +ATOM 76 CB TYR A 143 13.848 25.061 12.446 1.00 17.00 C +ATOM 77 CG TYR A 143 12.417 25.083 12.908 1.00 16.40 C +ATOM 78 CD1 TYR A 143 11.349 24.937 11.992 1.00 18.90 C +ATOM 79 CD2 TYR A 143 12.099 25.295 14.229 1.00 16.33 C +ATOM 80 CE1 TYR A 143 10.041 24.980 12.401 1.00 17.29 C +ATOM 81 CE2 TYR A 143 10.783 25.336 14.665 1.00 16.10 C +ATOM 82 CZ TYR A 143 9.740 25.219 13.733 1.00 15.92 C +ATOM 83 OH TYR A 143 8.432 25.296 14.151 1.00 14.12 O +ATOM 84 N GLN A 144 15.592 26.920 14.295 1.00 19.51 N +ATOM 85 CA GLN A 144 15.772 27.448 15.648 1.00 20.10 C +ATOM 86 C GLN A 144 15.916 28.968 15.629 1.00 20.90 C +ATOM 87 O GLN A 144 15.263 29.697 16.381 1.00 22.84 O +ATOM 88 CB GLN A 144 17.007 26.787 16.284 1.00 20.75 C +ATOM 89 N LEU A 145 16.719 29.457 14.711 1.00 21.75 N +ATOM 90 CA LEU A 145 16.960 30.904 14.601 1.00 21.95 C +ATOM 91 C LEU A 145 15.794 31.736 14.048 1.00 21.71 C +ATOM 92 O LEU A 145 15.553 32.873 14.475 1.00 21.41 O +ATOM 93 CB LEU A 145 18.243 31.150 13.801 1.00 22.80 C +ATOM 94 CG LEU A 145 19.597 30.698 14.390 1.00 24.80 C +ATOM 95 CD1 LEU A 145 20.720 30.765 13.337 1.00 28.52 C +ATOM 96 CD2 LEU A 145 19.992 31.567 15.598 1.00 27.55 C +ATOM 97 N TYR A 146 15.046 31.178 13.101 1.00 20.36 N +ATOM 98 CA TYR A 146 14.230 31.996 12.222 1.00 19.83 C +ATOM 99 C TYR A 146 12.784 31.582 12.098 1.00 18.73 C +ATOM 100 O TYR A 146 11.949 32.413 11.720 1.00 17.84 O +ATOM 101 CB TYR A 146 14.810 31.994 10.799 1.00 20.08 C +ATOM 102 CG TYR A 146 16.277 32.390 10.722 1.00 21.45 C +ATOM 103 CD1 TYR A 146 16.698 33.635 11.167 1.00 26.29 C +ATOM 104 CD2 TYR A 146 17.231 31.525 10.173 1.00 24.29 C +ATOM 105 CE1 TYR A 146 18.053 34.007 11.096 1.00 27.54 C +ATOM 106 CE2 TYR A 146 18.570 31.890 10.104 1.00 27.32 C +ATOM 107 CZ TYR A 146 18.960 33.130 10.579 1.00 27.09 C +ATOM 108 OH TYR A 146 20.266 33.506 10.511 1.00 32.89 O +ATOM 109 N LEU A 147 12.479 30.316 12.380 1.00 17.10 N +ATOM 110 CA LEU A 147 11.160 29.753 11.940 1.00 16.24 C +ATOM 111 C LEU A 147 10.186 29.439 13.075 1.00 16.82 C +ATOM 112 O LEU A 147 9.117 28.885 12.864 1.00 16.04 O +ATOM 113 CB LEU A 147 11.344 28.518 11.059 1.00 16.03 C +ATOM 114 CG LEU A 147 12.307 28.630 9.854 1.00 13.69 C +ATOM 115 CD1 LEU A 147 12.275 27.366 9.033 1.00 14.75 C +ATOM 116 CD2 LEU A 147 11.981 29.816 8.889 1.00 13.20 C +ATOM 117 N HIS A 148 10.569 29.776 14.302 1.00 18.49 N +ATOM 118 CA HIS A 148 9.682 29.552 15.422 1.00 19.35 C +ATOM 119 C HIS A 148 8.410 30.332 15.323 1.00 18.75 C +ATOM 120 O HIS A 148 8.388 31.442 14.807 1.00 18.43 O +ATOM 121 CB HIS A 148 10.427 29.872 16.725 1.00 21.07 C +ATOM 122 CG HIS A 148 11.261 28.720 17.171 1.00 27.33 C +ATOM 123 ND1 HIS A 148 10.726 27.481 17.441 1.00 34.26 N +ATOM 124 CD2 HIS A 148 12.595 28.597 17.344 1.00 34.86 C +ATOM 125 CE1 HIS A 148 11.692 26.645 17.778 1.00 35.35 C +ATOM 126 NE2 HIS A 148 12.838 27.299 17.723 1.00 33.18 N +ATOM 127 N ASP A 149 7.321 29.737 15.781 1.00 17.70 N +ATOM 128 CA ASP A 149 6.071 30.430 15.877 1.00 17.79 C +ATOM 129 C ASP A 149 5.461 29.947 17.185 1.00 17.88 C +ATOM 130 O ASP A 149 5.472 28.774 17.451 1.00 17.34 O +ATOM 131 CB ASP A 149 5.184 30.085 14.706 1.00 17.43 C +ATOM 132 CG ASP A 149 3.888 30.812 14.723 1.00 22.12 C +ATOM 133 OD1 ASP A 149 3.706 31.675 13.832 1.00 27.27 O +ATOM 134 OD2 ASP A 149 3.008 30.530 15.558 1.00 19.39 O +ATOM 135 N ASP A 150 4.925 30.866 17.987 1.00 18.97 N +ATOM 136 CA ASP A 150 4.329 30.485 19.290 1.00 18.92 C +ATOM 137 C ASP A 150 3.216 29.452 19.192 1.00 18.49 C +ATOM 138 O ASP A 150 2.929 28.767 20.187 1.00 18.78 O +ATOM 139 CB ASP A 150 3.767 31.701 20.038 1.00 20.56 C +ATOM 140 CG ASP A 150 4.831 32.681 20.476 1.00 24.29 C +ATOM 141 OD1 ASP A 150 6.046 32.390 20.411 1.00 23.43 O +ATOM 142 OD2 ASP A 150 4.429 33.799 20.870 1.00 30.27 O +ATOM 143 N ALA A 151 2.575 29.308 18.020 1.00 17.55 N +ATOM 144 CA ALA A 151 1.449 28.385 17.854 1.00 16.65 C +ATOM 145 C ALA A 151 1.737 27.086 17.066 1.00 16.54 C +ATOM 146 O ALA A 151 0.807 26.303 16.827 1.00 17.80 O +ATOM 147 CB ALA A 151 0.237 29.149 17.199 1.00 18.94 C +ATOM 148 N TRP A 152 3.007 26.847 16.711 1.00 15.78 N +ATOM 149 CA TRP A 152 3.442 25.713 15.922 1.00 15.72 C +ATOM 150 C TRP A 152 4.630 25.057 16.567 1.00 15.34 C +ATOM 151 O TRP A 152 5.553 25.753 16.979 1.00 16.52 O +ATOM 152 CB TRP A 152 3.889 26.171 14.517 1.00 16.73 C +ATOM 153 CG TRP A 152 2.759 26.497 13.599 1.00 16.18 C +ATOM 154 CD1 TRP A 152 2.010 27.641 13.578 1.00 15.70 C +ATOM 155 CD2 TRP A 152 2.290 25.675 12.531 1.00 16.15 C +ATOM 156 NE1 TRP A 152 1.037 27.538 12.594 1.00 20.00 N +ATOM 157 CE2 TRP A 152 1.207 26.346 11.929 1.00 18.12 C +ATOM 158 CE3 TRP A 152 2.674 24.406 12.042 1.00 14.99 C +ATOM 159 CZ2 TRP A 152 0.479 25.788 10.843 1.00 17.22 C +ATOM 160 CZ3 TRP A 152 1.964 23.848 10.967 1.00 16.53 C +ATOM 161 CH2 TRP A 152 0.883 24.549 10.380 1.00 18.33 C +ATOM 162 N THR A 153 4.632 23.730 16.618 1.00 15.72 N +ATOM 163 CA THR A 153 5.817 22.964 17.017 1.00 14.99 C +ATOM 164 C THR A 153 6.660 22.725 15.791 1.00 16.19 C +ATOM 165 O THR A 153 6.139 22.780 14.658 1.00 16.31 O +ATOM 166 CB THR A 153 5.458 21.580 17.589 1.00 15.80 C +ATOM 167 OG1 THR A 153 4.756 20.804 16.607 1.00 15.54 O +ATOM 168 CG2 THR A 153 4.608 21.695 18.884 1.00 16.76 C +ATOM 169 N LYS A 154 7.938 22.414 15.982 1.00 15.19 N +ATOM 170 CA LYS A 154 8.763 21.954 14.891 1.00 15.43 C +ATOM 171 C LYS A 154 8.236 20.656 14.358 1.00 15.38 C +ATOM 172 O LYS A 154 8.213 20.444 13.153 1.00 13.63 O +ATOM 173 CB LYS A 154 10.224 21.800 15.277 1.00 15.82 C +ATOM 174 CG LYS A 154 11.132 21.515 14.060 1.00 18.41 C +ATOM 175 CD LYS A 154 12.576 21.327 14.433 1.00 20.82 C +ATOM 176 CE LYS A 154 13.458 21.177 13.202 1.00 18.94 C +ATOM 177 NZ LYS A 154 13.254 19.870 12.512 1.00 15.32 N +ATOM 178 N ALA A 155 7.778 19.780 15.238 1.00 14.92 N +ATOM 179 CA ALA A 155 7.198 18.545 14.780 1.00 15.75 C +ATOM 180 C ALA A 155 6.046 18.759 13.792 1.00 15.06 C +ATOM 181 O ALA A 155 6.008 18.100 12.737 1.00 14.37 O +ATOM 182 CB ALA A 155 6.718 17.696 15.999 1.00 15.20 C +ATOM 183 N GLU A 156 5.138 19.668 14.090 1.00 15.25 N +ATOM 184 CA GLU A 156 4.007 19.898 13.198 1.00 15.59 C +ATOM 185 C GLU A 156 4.479 20.531 11.896 1.00 14.81 C +ATOM 186 O GLU A 156 3.984 20.207 10.807 1.00 12.69 O +ATOM 187 CB GLU A 156 2.961 20.834 13.854 1.00 16.75 C +ATOM 188 CG GLU A 156 1.709 20.860 13.061 1.00 18.96 C +ATOM 189 CD GLU A 156 0.674 21.846 13.529 1.00 23.66 C +ATOM 190 OE1 GLU A 156 0.815 22.428 14.646 1.00 21.31 O +ATOM 191 OE2 GLU A 156 -0.267 22.047 12.731 1.00 21.76 O +ATOM 192 N THR A 157 5.407 21.495 12.008 1.00 13.29 N +ATOM 193 CA THR A 157 5.947 22.142 10.813 1.00 12.62 C +ATOM 194 C THR A 157 6.611 21.110 9.883 1.00 12.33 C +ATOM 195 O THR A 157 6.409 21.106 8.675 1.00 11.25 O +ATOM 196 CB THR A 157 6.921 23.297 11.191 1.00 12.86 C +ATOM 197 OG1 THR A 157 6.272 24.211 12.084 1.00 13.46 O +ATOM 198 CG2 THR A 157 7.346 24.045 9.956 1.00 10.33 C +ATOM 199 N ASP A 158 7.429 20.234 10.462 1.00 11.91 N +ATOM 200 CA ASP A 158 8.070 19.146 9.729 1.00 12.70 C +ATOM 201 C ASP A 158 7.026 18.265 9.009 1.00 12.92 C +ATOM 202 O ASP A 158 7.216 17.910 7.843 1.00 11.57 O +ATOM 203 CB ASP A 158 8.871 18.241 10.695 1.00 13.37 C +ATOM 204 CG ASP A 158 10.172 18.878 11.176 1.00 16.54 C +ATOM 205 OD1 ASP A 158 10.547 19.979 10.733 1.00 17.38 O +ATOM 206 OD2 ASP A 158 10.763 18.279 12.081 1.00 15.88 O +ATOM 207 N HIS A 159 5.940 17.963 9.716 1.00 12.34 N +ATOM 208 CA HIS A 159 4.789 17.201 9.168 1.00 13.59 C +ATOM 209 C HIS A 159 4.177 17.935 7.974 1.00 12.42 C +ATOM 210 O HIS A 159 3.961 17.323 6.910 1.00 13.36 O +ATOM 211 CB HIS A 159 3.749 17.020 10.263 1.00 13.39 C +ATOM 212 CG HIS A 159 2.516 16.277 9.855 1.00 14.79 C +ATOM 213 ND1 HIS A 159 2.547 15.045 9.239 1.00 15.66 N +ATOM 214 CD2 HIS A 159 1.210 16.597 10.006 1.00 15.05 C +ATOM 215 CE1 HIS A 159 1.300 14.634 9.043 1.00 17.36 C +ATOM 216 NE2 HIS A 159 0.475 15.557 9.503 1.00 16.45 N +ATOM 217 N LEU A 160 3.882 19.225 8.125 1.00 12.07 N +ATOM 218 CA LEU A 160 3.381 20.020 7.007 1.00 11.35 C +ATOM 219 C LEU A 160 4.301 19.949 5.762 1.00 11.19 C +ATOM 220 O LEU A 160 3.835 19.767 4.648 1.00 11.50 O +ATOM 221 CB LEU A 160 3.228 21.471 7.469 1.00 11.42 C +ATOM 222 CG LEU A 160 2.991 22.540 6.422 1.00 11.35 C +ATOM 223 CD1 LEU A 160 1.641 22.210 5.698 1.00 10.16 C +ATOM 224 CD2 LEU A 160 3.034 23.929 7.042 1.00 10.20 C +ATOM 225 N PHE A 161 5.601 20.109 5.985 1.00 11.22 N +ATOM 226 CA PHE A 161 6.574 20.119 4.900 1.00 12.10 C +ATOM 227 C PHE A 161 6.710 18.724 4.259 1.00 12.19 C +ATOM 228 O PHE A 161 6.810 18.597 3.028 1.00 12.02 O +ATOM 229 CB PHE A 161 7.895 20.699 5.378 1.00 11.77 C +ATOM 230 CG PHE A 161 7.959 22.184 5.234 1.00 11.31 C +ATOM 231 CD1 PHE A 161 7.100 22.987 5.946 1.00 13.15 C +ATOM 232 CD2 PHE A 161 8.780 22.763 4.255 1.00 12.98 C +ATOM 233 CE1 PHE A 161 7.109 24.352 5.755 1.00 14.17 C +ATOM 234 CE2 PHE A 161 8.813 24.135 4.069 1.00 13.32 C +ATOM 235 CZ PHE A 161 7.947 24.921 4.808 1.00 13.97 C +ATOM 236 N ASP A 162 6.624 17.689 5.078 1.00 11.87 N +ATOM 237 CA ASP A 162 6.586 16.317 4.563 1.00 13.27 C +ATOM 238 C ASP A 162 5.370 16.074 3.663 1.00 13.27 C +ATOM 239 O ASP A 162 5.490 15.565 2.535 1.00 12.84 O +ATOM 240 CB ASP A 162 6.592 15.350 5.739 1.00 13.41 C +ATOM 241 CG ASP A 162 6.615 13.873 5.310 1.00 19.68 C +ATOM 242 OD1 ASP A 162 7.517 13.497 4.508 1.00 22.20 O +ATOM 243 OD2 ASP A 162 5.762 13.111 5.821 1.00 23.35 O +ATOM 244 N LEU A 163 4.198 16.471 4.121 1.00 12.52 N +ATOM 245 CA LEU A 163 3.029 16.300 3.316 1.00 14.31 C +ATOM 246 C LEU A 163 3.091 17.116 2.040 1.00 14.26 C +ATOM 247 O LEU A 163 2.622 16.666 0.965 1.00 14.98 O +ATOM 248 CB LEU A 163 1.800 16.650 4.121 1.00 13.30 C +ATOM 249 CG LEU A 163 1.415 15.778 5.312 1.00 15.89 C +ATOM 250 CD1 LEU A 163 0.283 16.478 6.052 1.00 19.43 C +ATOM 251 CD2 LEU A 163 1.025 14.406 4.924 1.00 21.22 C +ATOM 252 N SER A 164 3.623 18.337 2.149 1.00 14.84 N +ATOM 253 CA SER A 164 3.869 19.202 1.003 1.00 15.79 C +ATOM 254 C SER A 164 4.736 18.546 -0.087 1.00 15.89 C +ATOM 255 O SER A 164 4.446 18.725 -1.296 1.00 15.56 O +ATOM 256 CB SER A 164 4.465 20.545 1.462 1.00 15.21 C +ATOM 257 OG SER A 164 3.529 21.228 2.254 1.00 15.20 O +ATOM 258 N ARG A 165 5.775 17.821 0.320 1.00 16.68 N +ATOM 259 CA ARG A 165 6.589 17.029 -0.601 1.00 17.35 C +ATOM 260 C ARG A 165 5.796 15.883 -1.210 1.00 18.14 C +ATOM 261 O ARG A 165 5.735 15.754 -2.436 1.00 18.47 O +ATOM 262 CB ARG A 165 7.824 16.461 0.081 1.00 17.62 C +ATOM 263 CG ARG A 165 8.803 17.553 0.462 1.00 17.21 C +ATOM 264 CD ARG A 165 10.011 17.082 1.219 1.00 16.41 C +ATOM 265 NE ARG A 165 10.635 18.282 1.802 1.00 15.54 N +ATOM 266 CZ ARG A 165 10.732 18.563 3.098 1.00 14.06 C +ATOM 267 NH1 ARG A 165 10.341 17.702 4.049 1.00 14.29 N +ATOM 268 NH2 ARG A 165 11.234 19.740 3.452 1.00 15.41 N +ATOM 269 N ARG A 166 5.213 15.056 -0.366 1.00 18.80 N +ATOM 270 CA ARG A 166 4.554 13.824 -0.805 1.00 20.49 C +ATOM 271 C ARG A 166 3.320 14.038 -1.704 1.00 20.59 C +ATOM 272 O ARG A 166 3.020 13.206 -2.603 1.00 18.57 O +ATOM 273 CB ARG A 166 4.204 13.006 0.400 1.00 21.96 C +ATOM 274 CG ARG A 166 5.462 12.471 1.102 1.00 25.58 C +ATOM 275 CD ARG A 166 5.130 11.993 2.519 1.00 29.95 C +ATOM 276 NE ARG A 166 3.968 11.106 2.531 1.00 37.66 N +ATOM 277 CZ ARG A 166 3.177 10.914 3.584 1.00 39.66 C +ATOM 278 NH1 ARG A 166 3.422 11.534 4.738 1.00 40.40 N +ATOM 279 NH2 ARG A 166 2.152 10.069 3.492 1.00 41.26 N +ATOM 280 N PHE A 167 2.620 15.146 -1.462 1.00 18.45 N +ATOM 281 CA PHE A 167 1.385 15.451 -2.177 1.00 18.50 C +ATOM 282 C PHE A 167 1.431 16.673 -3.073 1.00 17.52 C +ATOM 283 O PHE A 167 0.392 17.279 -3.397 1.00 16.81 O +ATOM 284 CB PHE A 167 0.219 15.479 -1.179 1.00 18.06 C +ATOM 285 CG PHE A 167 0.079 14.195 -0.401 1.00 19.30 C +ATOM 286 CD1 PHE A 167 -0.199 13.006 -1.054 1.00 20.97 C +ATOM 287 CD2 PHE A 167 0.237 14.169 0.959 1.00 20.37 C +ATOM 288 CE1 PHE A 167 -0.309 11.824 -0.341 1.00 23.96 C +ATOM 289 CE2 PHE A 167 0.111 13.006 1.670 1.00 22.92 C +ATOM 290 CZ PHE A 167 -0.175 11.823 1.002 1.00 23.77 C +ATOM 291 N ASP A 168 2.649 17.027 -3.479 1.00 18.93 N +ATOM 292 CA ASP A 168 2.907 17.941 -4.581 1.00 21.31 C +ATOM 293 C ASP A 168 2.243 19.283 -4.384 1.00 19.46 C +ATOM 294 O ASP A 168 1.745 19.923 -5.306 1.00 19.97 O +ATOM 295 CB ASP A 168 2.534 17.242 -5.898 1.00 22.83 C +ATOM 296 CG ASP A 168 3.232 15.865 -6.055 1.00 29.34 C +ATOM 297 OD1 ASP A 168 4.439 15.694 -5.660 1.00 33.19 O +ATOM 298 OD2 ASP A 168 2.549 14.918 -6.536 1.00 35.87 O +ATOM 299 N LEU A 169 2.251 19.735 -3.135 1.00 19.37 N +ATOM 300 CA LEU A 169 1.679 21.022 -2.753 1.00 19.02 C +ATOM 301 C LEU A 169 0.204 21.190 -3.078 1.00 18.82 C +ATOM 302 O LEU A 169 -0.261 22.292 -3.331 1.00 18.47 O +ATOM 303 CB LEU A 169 2.512 22.201 -3.328 1.00 20.13 C +ATOM 304 CG LEU A 169 3.770 22.585 -2.568 1.00 22.17 C +ATOM 305 CD1 LEU A 169 4.419 23.755 -3.303 1.00 26.32 C +ATOM 306 CD2 LEU A 169 3.423 22.979 -1.145 1.00 20.36 C +ATOM 307 N ARG A 170 -0.538 20.084 -3.025 1.00 16.92 N +ATOM 308 CA ARG A 170 -1.981 20.129 -3.178 1.00 17.21 C +ATOM 309 C ARG A 170 -2.585 20.310 -1.804 1.00 16.62 C +ATOM 310 O ARG A 170 -2.717 19.366 -1.033 1.00 15.18 O +ATOM 311 CB ARG A 170 -2.437 18.839 -3.845 1.00 16.38 C +ATOM 312 CG ARG A 170 -1.892 18.691 -5.256 1.00 20.07 C +ATOM 313 CD ARG A 170 -1.984 17.218 -5.696 1.00 21.32 C +ATOM 314 NE ARG A 170 -3.375 16.793 -5.854 1.00 22.90 N +ATOM 315 CZ ARG A 170 -3.754 15.529 -6.108 1.00 24.16 C +ATOM 316 NH1 ARG A 170 -2.876 14.571 -6.200 1.00 24.30 N +ATOM 317 NH2 ARG A 170 -5.036 15.228 -6.278 1.00 28.13 N +ATOM 318 N PHE A 171 -2.907 21.557 -1.465 1.00 17.34 N +ATOM 319 CA PHE A 171 -3.293 21.841 -0.102 1.00 18.11 C +ATOM 320 C PHE A 171 -4.595 21.253 0.339 1.00 18.16 C +ATOM 321 O PHE A 171 -4.743 20.987 1.506 1.00 18.92 O +ATOM 322 CB PHE A 171 -3.252 23.342 0.207 1.00 18.73 C +ATOM 323 CG PHE A 171 -1.895 23.810 0.468 1.00 19.70 C +ATOM 324 CD1 PHE A 171 -1.320 23.629 1.708 1.00 21.59 C +ATOM 325 CD2 PHE A 171 -1.140 24.348 -0.555 1.00 21.86 C +ATOM 326 CE1 PHE A 171 -0.002 24.048 1.919 1.00 21.39 C +ATOM 327 CE2 PHE A 171 0.165 24.750 -0.349 1.00 23.44 C +ATOM 328 CZ PHE A 171 0.723 24.602 0.899 1.00 21.66 C +ATOM 329 N VAL A 172 -5.499 20.945 -0.596 1.00 18.92 N +ATOM 330 CA VAL A 172 -6.685 20.154 -0.240 1.00 18.92 C +ATOM 331 C VAL A 172 -6.339 18.729 0.229 1.00 18.29 C +ATOM 332 O VAL A 172 -6.959 18.207 1.171 1.00 17.48 O +ATOM 333 CB VAL A 172 -7.696 20.057 -1.437 1.00 19.29 C +ATOM 334 CG1 VAL A 172 -8.814 19.117 -1.094 1.00 17.69 C +ATOM 335 CG2 VAL A 172 -8.200 21.425 -1.798 1.00 20.61 C +ATOM 336 N VAL A 173 -5.341 18.106 -0.422 1.00 15.81 N +ATOM 337 CA VAL A 173 -4.892 16.813 -0.035 1.00 15.48 C +ATOM 338 C VAL A 173 -4.076 16.905 1.269 1.00 14.78 C +ATOM 339 O VAL A 173 -4.249 16.098 2.165 1.00 17.72 O +ATOM 340 CB VAL A 173 -4.041 16.160 -1.156 1.00 14.28 C +ATOM 341 CG1 VAL A 173 -3.505 14.801 -0.689 1.00 14.54 C +ATOM 342 CG2 VAL A 173 -4.831 16.019 -2.411 1.00 14.96 C +ATOM 343 N ILE A 174 -3.159 17.856 1.344 1.00 15.40 N +ATOM 344 CA ILE A 174 -2.372 18.071 2.554 1.00 14.51 C +ATOM 345 C ILE A 174 -3.319 18.228 3.755 1.00 16.54 C +ATOM 346 O ILE A 174 -3.146 17.589 4.787 1.00 17.47 O +ATOM 347 CB ILE A 174 -1.440 19.305 2.411 1.00 14.86 C +ATOM 348 CG1 ILE A 174 -0.398 19.048 1.316 1.00 14.63 C +ATOM 349 CG2 ILE A 174 -0.785 19.644 3.773 1.00 12.11 C +ATOM 350 CD1 ILE A 174 0.345 20.303 0.804 1.00 15.53 C +ATOM 351 N HIS A 175 -4.327 19.067 3.593 1.00 18.15 N +ATOM 352 CA HIS A 175 -5.333 19.254 4.637 1.00 20.40 C +ATOM 353 C HIS A 175 -6.070 17.966 5.010 1.00 20.04 C +ATOM 354 O HIS A 175 -6.257 17.682 6.167 1.00 19.92 O +ATOM 355 CB HIS A 175 -6.329 20.330 4.240 1.00 21.78 C +ATOM 356 CG HIS A 175 -7.270 20.704 5.351 1.00 26.40 C +ATOM 357 ND1 HIS A 175 -8.532 20.162 5.465 1.00 31.28 N +ATOM 358 CD2 HIS A 175 -7.105 21.512 6.433 1.00 30.90 C +ATOM 359 CE1 HIS A 175 -9.115 20.630 6.562 1.00 34.34 C +ATOM 360 NE2 HIS A 175 -8.275 21.461 7.161 1.00 33.71 N +ATOM 361 N ASP A 176 -6.480 17.187 4.018 1.00 20.61 N +ATOM 362 CA ASP A 176 -7.153 15.906 4.241 1.00 20.04 C +ATOM 363 C ASP A 176 -6.292 14.905 5.002 1.00 21.32 C +ATOM 364 O ASP A 176 -6.819 14.095 5.822 1.00 21.74 O +ATOM 365 CB ASP A 176 -7.571 15.304 2.878 1.00 21.03 C +ATOM 366 CG ASP A 176 -8.337 13.991 3.017 1.00 21.24 C +ATOM 367 OD1 ASP A 176 -9.446 14.047 3.559 1.00 22.66 O +ATOM 368 OD2 ASP A 176 -7.855 12.940 2.603 1.00 22.20 O +ATOM 369 N ARG A 177 -4.983 14.901 4.714 1.00 19.30 N +ATOM 370 CA ARG A 177 -4.115 13.858 5.214 1.00 20.48 C +ATOM 371 C ARG A 177 -3.422 14.298 6.512 1.00 21.49 C +ATOM 372 O ARG A 177 -2.654 13.546 7.089 1.00 21.63 O +ATOM 373 CB ARG A 177 -3.120 13.416 4.137 1.00 19.79 C +ATOM 374 CG ARG A 177 -3.775 12.691 2.922 1.00 22.42 C +ATOM 375 CD ARG A 177 -4.514 11.395 3.371 1.00 26.50 C +ATOM 376 NE ARG A 177 -3.493 10.403 3.669 1.00 29.76 N +ATOM 377 CZ ARG A 177 -3.011 9.541 2.794 1.00 29.76 C +ATOM 378 NH1 ARG A 177 -3.555 9.443 1.590 1.00 28.78 N +ATOM 379 NH2 ARG A 177 -2.028 8.728 3.152 1.00 30.37 N +ATOM 380 N TYR A 178 -3.763 15.485 6.984 1.00 23.91 N +ATOM 381 CA TYR A 178 -3.064 16.099 8.120 1.00 25.98 C +ATOM 382 C TYR A 178 -3.314 15.287 9.380 1.00 28.65 C +ATOM 383 O TYR A 178 -4.429 14.816 9.592 1.00 29.08 O +ATOM 384 CB TYR A 178 -3.563 17.517 8.329 1.00 26.16 C +ATOM 385 CG TYR A 178 -2.540 18.481 8.893 1.00 24.74 C +ATOM 386 CD1 TYR A 178 -1.507 18.943 8.096 1.00 22.97 C +ATOM 387 CD2 TYR A 178 -2.629 18.951 10.212 1.00 23.24 C +ATOM 388 CE1 TYR A 178 -0.587 19.840 8.576 1.00 21.17 C +ATOM 389 CE2 TYR A 178 -1.714 19.873 10.708 1.00 22.60 C +ATOM 390 CZ TYR A 178 -0.681 20.287 9.896 1.00 22.30 C +ATOM 391 OH TYR A 178 0.219 21.206 10.338 1.00 21.36 O +ATOM 392 N ASP A 179 -2.296 15.123 10.221 1.00 30.95 N +ATOM 393 CA ASP A 179 -2.452 14.325 11.467 1.00 33.80 C +ATOM 394 C ASP A 179 -3.157 15.222 12.474 1.00 35.68 C +ATOM 395 O ASP A 179 -2.531 15.818 13.367 1.00 35.95 O +ATOM 396 CB ASP A 179 -1.112 13.796 11.975 1.00 33.89 C +ATOM 397 CG ASP A 179 -1.252 12.701 13.060 1.00 36.72 C +ATOM 398 OD1 ASP A 179 -2.393 12.348 13.440 1.00 39.87 O +ATOM 399 OD2 ASP A 179 -0.200 12.186 13.526 1.00 40.61 O +ATOM 400 N HIS A 180 -4.471 15.352 12.279 1.00 38.10 N +ATOM 401 CA HIS A 180 -5.284 16.222 13.107 1.00 40.46 C +ATOM 402 C HIS A 180 -5.412 15.559 14.494 1.00 41.62 C +ATOM 403 O HIS A 180 -5.863 16.214 15.434 1.00 43.31 O +ATOM 404 CB HIS A 180 -6.670 16.522 12.480 1.00 40.64 C +ATOM 405 CG HIS A 180 -6.630 17.350 11.219 1.00 42.29 C +ATOM 406 ND1 HIS A 180 -6.381 18.708 11.219 1.00 43.75 N +ATOM 407 CD2 HIS A 180 -6.847 17.012 9.919 1.00 43.36 C +ATOM 408 CE1 HIS A 180 -6.436 19.169 9.976 1.00 45.64 C +ATOM 409 NE2 HIS A 180 -6.728 18.161 9.168 1.00 45.07 N +ATOM 410 N GLN A 181 -5.004 14.288 14.636 1.00 43.11 N +ATOM 411 CA GLN A 181 -4.837 13.653 15.969 1.00 44.26 C +ATOM 412 C GLN A 181 -3.779 14.359 16.847 1.00 45.20 C +ATOM 413 O GLN A 181 -4.133 15.000 17.855 1.00 45.91 O +ATOM 414 CB GLN A 181 -4.484 12.158 15.841 1.00 44.45 C +ATOM 415 N GLN A 182 -2.496 14.241 16.475 1.00 45.34 N +ATOM 416 CA GLN A 182 -1.407 14.886 17.220 1.00 45.36 C +ATOM 417 C GLN A 182 -1.533 16.395 17.220 1.00 44.81 C +ATOM 418 O GLN A 182 -1.221 17.072 18.213 1.00 45.60 O +ATOM 419 CB GLN A 182 -0.058 14.542 16.615 1.00 45.89 C +ATOM 420 CG GLN A 182 0.283 13.073 16.616 1.00 48.32 C +ATOM 421 CD GLN A 182 1.673 12.786 16.067 1.00 51.36 C +ATOM 422 OE1 GLN A 182 2.631 13.492 16.383 1.00 53.98 O +ATOM 423 NE2 GLN A 182 1.791 11.735 15.247 1.00 53.90 N +ATOM 424 N PHE A 183 -1.980 16.942 16.100 1.00 43.75 N +ATOM 425 CA PHE A 183 -1.932 18.362 15.905 1.00 42.92 C +ATOM 426 C PHE A 183 -3.324 18.928 15.798 1.00 43.75 C +ATOM 427 O PHE A 183 -4.286 18.220 15.444 1.00 44.51 O +ATOM 428 CB PHE A 183 -1.082 18.697 14.657 1.00 41.89 C +ATOM 429 CG PHE A 183 0.249 17.975 14.623 1.00 39.06 C +ATOM 430 CD1 PHE A 183 0.537 17.045 13.622 1.00 35.01 C +ATOM 431 CD2 PHE A 183 1.204 18.201 15.619 1.00 36.01 C +ATOM 432 CE1 PHE A 183 1.744 16.374 13.591 1.00 34.72 C +ATOM 433 CE2 PHE A 183 2.423 17.505 15.609 1.00 35.59 C +ATOM 434 CZ PHE A 183 2.697 16.610 14.590 1.00 34.60 C +ATOM 435 N LYS A 184 -3.400 20.220 16.102 1.00 43.69 N +ATOM 436 CA LYS A 184 -4.616 21.013 16.042 1.00 43.48 C +ATOM 437 C LYS A 184 -5.310 20.893 14.682 1.00 43.19 C +ATOM 438 O LYS A 184 -4.682 20.554 13.662 1.00 42.96 O +ATOM 439 CB LYS A 184 -4.294 22.498 16.319 1.00 43.53 C +ATOM 440 N LYS A 185 -6.610 21.176 14.690 1.00 42.00 N +ATOM 441 CA LYS A 185 -7.352 21.360 13.464 1.00 40.88 C +ATOM 442 C LYS A 185 -6.866 22.688 12.884 1.00 39.59 C +ATOM 443 O LYS A 185 -6.925 23.755 13.525 1.00 40.39 O +ATOM 444 CB LYS A 185 -8.875 21.356 13.707 1.00 40.97 C +ATOM 445 N ARG A 186 -6.341 22.597 11.674 1.00 37.23 N +ATOM 446 CA ARG A 186 -5.828 23.738 10.963 1.00 34.82 C +ATOM 447 C ARG A 186 -6.696 23.878 9.743 1.00 33.78 C +ATOM 448 O ARG A 186 -7.060 22.868 9.127 1.00 34.16 O +ATOM 449 CB ARG A 186 -4.398 23.457 10.537 1.00 34.06 C +ATOM 450 CG ARG A 186 -3.459 23.226 11.715 1.00 31.89 C +ATOM 451 CD ARG A 186 -2.957 24.556 12.274 1.00 27.85 C +ATOM 452 NE ARG A 186 -1.844 24.324 13.190 1.00 25.53 N +ATOM 453 CZ ARG A 186 -1.368 25.237 14.030 1.00 25.39 C +ATOM 454 NH1 ARG A 186 -1.901 26.448 14.072 1.00 25.24 N +ATOM 455 NH2 ARG A 186 -0.365 24.931 14.825 1.00 23.20 N +ATOM 456 N SER A 187 -7.024 25.113 9.398 1.00 31.71 N +ATOM 457 CA SER A 187 -7.651 25.393 8.120 1.00 30.43 C +ATOM 458 C SER A 187 -6.646 25.224 6.991 1.00 29.86 C +ATOM 459 O SER A 187 -5.447 25.228 7.221 1.00 28.70 O +ATOM 460 CB SER A 187 -8.229 26.800 8.089 1.00 30.16 C +ATOM 461 OG SER A 187 -7.240 27.823 7.994 1.00 27.89 O +ATOM 462 N VAL A 188 -7.144 25.076 5.773 1.00 28.86 N +ATOM 463 CA VAL A 188 -6.276 25.057 4.601 1.00 28.24 C +ATOM 464 C VAL A 188 -5.460 26.349 4.578 1.00 28.52 C +ATOM 465 O VAL A 188 -4.258 26.367 4.252 1.00 27.41 O +ATOM 466 CB VAL A 188 -7.103 24.851 3.313 1.00 28.82 C +ATOM 467 CG1 VAL A 188 -6.277 25.100 2.061 1.00 28.21 C +ATOM 468 CG2 VAL A 188 -7.712 23.443 3.321 1.00 28.96 C +ATOM 469 N GLU A 189 -6.122 27.442 4.958 1.00 27.55 N +ATOM 470 CA GLU A 189 -5.507 28.751 4.948 1.00 27.63 C +ATOM 471 C GLU A 189 -4.383 28.845 5.995 1.00 25.06 C +ATOM 472 O GLU A 189 -3.353 29.430 5.696 1.00 25.07 O +ATOM 473 CB GLU A 189 -6.606 29.837 5.175 1.00 28.21 C +ATOM 474 CG GLU A 189 -7.551 29.995 3.989 1.00 31.68 C +ATOM 475 CD GLU A 189 -6.789 30.309 2.711 1.00 37.01 C +ATOM 476 OE1 GLU A 189 -5.947 31.262 2.739 1.00 41.64 O +ATOM 477 OE2 GLU A 189 -6.988 29.570 1.701 1.00 42.16 O +ATOM 478 N ASP A 190 -4.581 28.251 7.183 1.00 24.16 N +ATOM 479 CA ASP A 190 -3.547 28.158 8.240 1.00 23.58 C +ATOM 480 C ASP A 190 -2.294 27.440 7.711 1.00 22.14 C +ATOM 481 O ASP A 190 -1.147 27.888 7.934 1.00 19.81 O +ATOM 482 CB ASP A 190 -4.069 27.383 9.469 1.00 24.50 C +ATOM 483 CG ASP A 190 -5.179 28.131 10.230 1.00 28.14 C +ATOM 484 OD1 ASP A 190 -5.300 29.362 10.013 1.00 28.23 O +ATOM 485 OD2 ASP A 190 -5.909 27.458 11.018 1.00 29.79 O +ATOM 486 N LEU A 191 -2.533 26.363 6.969 1.00 19.43 N +ATOM 487 CA LEU A 191 -1.426 25.559 6.407 1.00 20.01 C +ATOM 488 C LEU A 191 -0.662 26.316 5.351 1.00 18.36 C +ATOM 489 O LEU A 191 0.558 26.347 5.340 1.00 16.03 O +ATOM 490 CB LEU A 191 -1.949 24.244 5.851 1.00 18.99 C +ATOM 491 CG LEU A 191 -2.731 23.361 6.815 1.00 21.41 C +ATOM 492 CD1 LEU A 191 -3.076 22.089 6.058 1.00 20.95 C +ATOM 493 CD2 LEU A 191 -2.007 23.022 8.138 1.00 21.03 C +ATOM 494 N LYS A 192 -1.376 26.986 4.450 1.00 18.32 N +ATOM 495 CA LYS A 192 -0.699 27.760 3.427 1.00 19.01 C +ATOM 496 C LYS A 192 0.079 28.931 3.994 1.00 19.13 C +ATOM 497 O LYS A 192 1.172 29.219 3.528 1.00 18.70 O +ATOM 498 CB LYS A 192 -1.690 28.302 2.405 1.00 19.96 C +ATOM 499 CG LYS A 192 -2.315 27.259 1.525 1.00 23.11 C +ATOM 500 CD LYS A 192 -2.831 27.942 0.214 1.00 25.93 C +ATOM 501 CE LYS A 192 -4.014 27.267 -0.371 1.00 30.66 C +ATOM 502 N GLU A 193 -0.475 29.618 4.993 1.00 17.94 N +ATOM 503 CA GLU A 193 0.198 30.789 5.564 1.00 18.54 C +ATOM 504 C GLU A 193 1.485 30.395 6.277 1.00 16.39 C +ATOM 505 O GLU A 193 2.481 31.077 6.160 1.00 17.34 O +ATOM 506 CB GLU A 193 -0.721 31.530 6.539 1.00 19.54 C +ATOM 507 CG GLU A 193 -1.880 32.272 5.793 1.00 27.87 C +ATOM 508 CD GLU A 193 -1.414 33.205 4.650 1.00 33.74 C +ATOM 509 OE1 GLU A 193 -0.448 33.989 4.821 1.00 41.47 O +ATOM 510 OE2 GLU A 193 -2.030 33.163 3.550 1.00 42.15 O +ATOM 511 N ARG A 194 1.460 29.261 6.946 1.00 14.84 N +ATOM 512 CA ARG A 194 2.633 28.762 7.660 1.00 14.22 C +ATOM 513 C ARG A 194 3.711 28.411 6.629 1.00 13.73 C +ATOM 514 O ARG A 194 4.846 28.830 6.754 1.00 12.83 O +ATOM 515 CB ARG A 194 2.273 27.531 8.492 1.00 14.49 C +ATOM 516 CG ARG A 194 3.448 26.933 9.260 1.00 14.85 C +ATOM 517 CD ARG A 194 4.133 27.921 10.222 1.00 15.93 C +ATOM 518 NE ARG A 194 5.136 27.245 11.044 1.00 14.46 N +ATOM 519 CZ ARG A 194 6.199 27.835 11.596 1.00 15.74 C +ATOM 520 NH1 ARG A 194 6.456 29.124 11.397 1.00 16.15 N +ATOM 521 NH2 ARG A 194 7.021 27.127 12.334 1.00 16.29 N +ATOM 522 N TYR A 195 3.339 27.663 5.601 1.00 13.41 N +ATOM 523 CA TYR A 195 4.270 27.243 4.540 1.00 13.15 C +ATOM 524 C TYR A 195 4.896 28.433 3.858 1.00 14.47 C +ATOM 525 O TYR A 195 6.107 28.496 3.764 1.00 14.07 O +ATOM 526 CB TYR A 195 3.553 26.393 3.512 1.00 14.09 C +ATOM 527 CG TYR A 195 4.480 25.840 2.426 1.00 14.36 C +ATOM 528 CD1 TYR A 195 5.155 24.649 2.651 1.00 21.81 C +ATOM 529 CD2 TYR A 195 4.644 26.464 1.208 1.00 21.48 C +ATOM 530 CE1 TYR A 195 5.981 24.109 1.708 1.00 22.52 C +ATOM 531 CE2 TYR A 195 5.538 25.924 0.234 1.00 18.22 C +ATOM 532 CZ TYR A 195 6.172 24.748 0.521 1.00 20.85 C +ATOM 533 OH TYR A 195 7.009 24.094 -0.372 1.00 22.92 O +ATOM 534 N ATYR A 196 4.123 29.404 3.422 0.50 15.25 N +ATOM 535 N BTYR A 196 3.998 29.334 3.415 0.50 15.35 N +ATOM 536 CA ATYR A 196 4.750 30.465 2.669 0.50 16.29 C +ATOM 537 CA BTYR A 196 4.280 30.623 2.777 0.50 16.23 C +ATOM 538 C ATYR A 196 5.438 31.562 3.532 0.50 15.71 C +ATOM 539 C BTYR A 196 5.325 31.461 3.533 0.50 15.85 C +ATOM 540 O ATYR A 196 6.355 32.223 3.056 0.50 15.55 O +ATOM 541 O BTYR A 196 6.331 31.883 2.985 0.50 15.39 O +ATOM 542 CB ATYR A 196 3.786 30.974 1.625 0.50 16.04 C +ATOM 543 CB BTYR A 196 3.003 31.466 2.665 0.50 16.61 C +ATOM 544 CG ATYR A 196 3.554 29.949 0.508 0.50 14.72 C +ATOM 545 CG BTYR A 196 2.001 31.060 1.585 0.50 18.12 C +ATOM 546 CD1ATYR A 196 4.576 29.601 -0.370 0.50 12.94 C +ATOM 547 CD1BTYR A 196 2.357 30.206 0.542 0.50 20.27 C +ATOM 548 CD2ATYR A 196 2.319 29.372 0.314 0.50 14.09 C +ATOM 549 CD2BTYR A 196 0.694 31.553 1.610 0.50 21.51 C +ATOM 550 CE1ATYR A 196 4.369 28.686 -1.387 0.50 14.54 C +ATOM 551 CE1BTYR A 196 1.431 29.861 -0.451 0.50 20.15 C +ATOM 552 CE2ATYR A 196 2.103 28.471 -0.714 0.50 13.10 C +ATOM 553 CE2BTYR A 196 -0.231 31.206 0.632 0.50 21.37 C +ATOM 554 CZ ATYR A 196 3.133 28.144 -1.566 0.50 11.98 C +ATOM 555 CZ BTYR A 196 0.137 30.367 -0.382 0.50 21.84 C +ATOM 556 OH ATYR A 196 2.941 27.238 -2.589 0.50 14.14 O +ATOM 557 OH BTYR A 196 -0.799 30.070 -1.344 0.50 22.08 O +ATOM 558 N HIS A 197 5.027 31.727 4.785 1.00 16.34 N +ATOM 559 CA AHIS A 197 5.839 32.497 5.766 0.50 16.13 C +ATOM 560 CA BHIS A 197 5.864 32.569 5.598 0.50 16.19 C +ATOM 561 C HIS A 197 7.242 31.950 5.818 1.00 15.88 C +ATOM 562 O HIS A 197 8.246 32.680 5.745 1.00 13.80 O +ATOM 563 CB AHIS A 197 5.255 32.423 7.193 0.50 16.96 C +ATOM 564 CB BHIS A 197 5.113 32.979 6.877 0.50 17.10 C +ATOM 565 CG AHIS A 197 6.119 33.078 8.240 0.50 19.08 C +ATOM 566 CG BHIS A 197 4.046 34.009 6.625 0.50 18.68 C +ATOM 567 ND1AHIS A 197 6.929 32.362 9.101 0.50 22.11 N +ATOM 568 ND1BHIS A 197 2.795 33.692 6.132 0.50 21.03 N +ATOM 569 CD2AHIS A 197 6.285 34.380 8.572 0.50 20.49 C +ATOM 570 CD2BHIS A 197 4.066 35.357 6.754 0.50 19.25 C +ATOM 571 CE1AHIS A 197 7.568 33.193 9.901 0.50 21.08 C +ATOM 572 CE1BHIS A 197 2.085 34.797 6.000 0.50 21.74 C +ATOM 573 NE2AHIS A 197 7.198 34.424 9.598 0.50 22.66 N +ATOM 574 NE2BHIS A 197 2.832 35.820 6.371 0.50 21.02 N +ATOM 575 N ILE A 198 7.324 30.621 5.976 1.00 14.55 N +ATOM 576 CA ILE A 198 8.656 29.960 6.024 1.00 13.20 C +ATOM 577 C ILE A 198 9.441 30.132 4.712 1.00 12.61 C +ATOM 578 O ILE A 198 10.623 30.446 4.733 1.00 12.46 O +ATOM 579 CB ILE A 198 8.509 28.487 6.420 1.00 13.09 C +ATOM 580 CG1 ILE A 198 8.094 28.393 7.896 1.00 13.64 C +ATOM 581 CG2 ILE A 198 9.762 27.639 6.046 1.00 13.65 C +ATOM 582 CD1 ILE A 198 7.622 26.940 8.346 1.00 13.93 C +ATOM 583 N CYS A 199 8.771 29.987 3.574 1.00 13.05 N +ATOM 584 CA CYS A 199 9.419 30.181 2.278 1.00 13.96 C +ATOM 585 C CYS A 199 10.061 31.574 2.158 1.00 13.85 C +ATOM 586 O CYS A 199 11.233 31.691 1.756 1.00 15.18 O +ATOM 587 CB CYS A 199 8.395 29.943 1.167 1.00 13.81 C +ATOM 588 SG CYS A 199 8.025 28.242 0.863 1.00 13.76 S +ATOM 589 N ALA A 200 9.297 32.593 2.564 1.00 14.14 N +ATOM 590 CA ALA A 200 9.708 34.003 2.535 1.00 14.93 C +ATOM 591 C ALA A 200 10.865 34.230 3.501 1.00 14.30 C +ATOM 592 O ALA A 200 11.908 34.782 3.131 1.00 15.39 O +ATOM 593 CB ALA A 200 8.523 34.939 2.826 1.00 14.91 C +ATOM 594 N LYS A 201 10.745 33.715 4.718 1.00 15.45 N +ATOM 595 CA LYS A 201 11.835 33.838 5.692 1.00 15.05 C +ATOM 596 C LYS A 201 13.123 33.195 5.219 1.00 14.60 C +ATOM 597 O LYS A 201 14.185 33.827 5.313 1.00 14.96 O +ATOM 598 CB LYS A 201 11.418 33.268 7.046 1.00 15.53 C +ATOM 599 CG LYS A 201 12.432 33.553 8.138 1.00 16.88 C +ATOM 600 CD LYS A 201 12.598 35.064 8.335 1.00 20.28 C +ATOM 601 N LEU A 202 13.061 31.980 4.657 1.00 13.45 N +ATOM 602 CA LEU A 202 14.224 31.296 4.135 1.00 14.36 C +ATOM 603 C LEU A 202 14.857 32.053 2.955 1.00 15.14 C +ATOM 604 O LEU A 202 16.081 32.169 2.887 1.00 17.01 O +ATOM 605 CB LEU A 202 13.938 29.845 3.719 1.00 14.66 C +ATOM 606 CG LEU A 202 13.572 28.900 4.884 1.00 13.67 C +ATOM 607 CD1 LEU A 202 13.106 27.556 4.327 1.00 12.09 C +ATOM 608 CD2 LEU A 202 14.753 28.737 5.890 1.00 13.97 C +ATOM 609 N ALA A 203 14.030 32.529 2.028 1.00 15.77 N +ATOM 610 CA ALA A 203 14.524 33.354 0.920 1.00 16.89 C +ATOM 611 C ALA A 203 15.363 34.515 1.437 1.00 16.79 C +ATOM 612 O ALA A 203 16.438 34.814 0.905 1.00 17.83 O +ATOM 613 CB ALA A 203 13.361 33.861 0.064 1.00 15.09 C +ATOM 614 N ASN A 204 14.839 35.195 2.443 1.00 17.46 N +ATOM 615 CA ASN A 204 15.534 36.331 3.057 1.00 19.26 C +ATOM 616 C ASN A 204 16.852 35.972 3.757 1.00 20.19 C +ATOM 617 O ASN A 204 17.903 36.572 3.480 1.00 20.88 O +ATOM 618 CB ASN A 204 14.585 37.043 4.013 1.00 18.57 C +ATOM 619 CG ASN A 204 13.486 37.807 3.304 1.00 21.00 C +ATOM 620 OD1 ASN A 204 13.668 38.323 2.203 1.00 27.31 O +ATOM 621 ND2 ASN A 204 12.358 37.881 3.925 1.00 23.97 N +ATOM 622 N VAL A 205 16.821 34.981 4.640 1.00 21.72 N +ATOM 623 CA VAL A 205 18.016 34.665 5.403 1.00 22.32 C +ATOM 624 C VAL A 205 19.077 34.032 4.518 1.00 23.18 C +ATOM 625 O VAL A 205 20.261 34.102 4.811 1.00 23.45 O +ATOM 626 CB VAL A 205 17.697 33.795 6.647 1.00 22.60 C +ATOM 627 CG1 VAL A 205 16.602 34.476 7.488 1.00 21.91 C +ATOM 628 CG2 VAL A 205 17.372 32.391 6.263 1.00 21.02 C +ATOM 629 N ARG A 206 18.692 33.415 3.414 1.00 23.04 N +ATOM 630 CA ARG A 206 19.684 32.762 2.597 1.00 23.65 C +ATOM 631 C ARG A 206 20.304 33.722 1.581 1.00 25.25 C +ATOM 632 O ARG A 206 21.176 33.306 0.808 1.00 26.57 O +ATOM 633 CB ARG A 206 19.092 31.586 1.879 1.00 22.72 C +ATOM 634 CG ARG A 206 18.713 30.492 2.829 1.00 20.58 C +ATOM 635 CD ARG A 206 17.953 29.408 2.126 1.00 19.90 C +ATOM 636 NE ARG A 206 17.678 28.292 3.038 1.00 18.61 N +ATOM 637 CZ ARG A 206 17.026 27.190 2.712 1.00 18.73 C +ATOM 638 NH1 ARG A 206 16.519 27.009 1.482 1.00 17.13 N +ATOM 639 NH2 ARG A 206 16.874 26.240 3.624 1.00 20.85 N +ATOM 640 N ALA A 207 19.833 34.961 1.572 1.00 25.77 N +ATOM 641 CA ALA A 207 20.391 35.997 0.711 1.00 27.47 C +ATOM 642 C ALA A 207 21.708 36.469 1.305 1.00 29.25 C +ATOM 643 O ALA A 207 22.662 36.576 0.545 1.00 32.45 O +ATOM 644 CB ALA A 207 19.464 37.152 0.597 1.00 27.13 C Added: SwiftApps/modFTdock/input/indata/3iez-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3iez-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3iez-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,781 @@ +ATOM 1 N LYS A1477 26.729 0.674 5.013 1.00 34.18 N +ATOM 2 CA LYS A1477 27.268 -0.442 5.844 1.00 34.15 C +ATOM 3 C LYS A1477 27.459 -0.009 7.296 1.00 33.74 C +ATOM 4 O LYS A1477 28.415 0.703 7.592 1.00 33.81 O +ATOM 5 CB LYS A1477 28.617 -0.923 5.291 1.00 34.17 C +ATOM 6 N PRO A1478 26.558 -0.442 8.201 1.00 32.88 N +ATOM 7 CA PRO A1478 26.787 -0.206 9.639 1.00 31.76 C +ATOM 8 C PRO A1478 28.091 -0.780 10.198 1.00 30.06 C +ATOM 9 O PRO A1478 28.530 -1.867 9.790 1.00 30.26 O +ATOM 10 CB PRO A1478 25.587 -0.885 10.316 1.00 32.18 C +ATOM 11 CG PRO A1478 24.753 -1.522 9.191 1.00 33.34 C +ATOM 12 CD PRO A1478 25.176 -0.880 7.927 1.00 33.42 C +ATOM 13 N VAL A1479 28.729 -0.039 11.101 1.00 27.34 N +ATOM 14 CA VAL A1479 29.757 -0.605 11.957 1.00 25.55 C +ATOM 15 C VAL A1479 29.043 -0.868 13.278 1.00 23.88 C +ATOM 16 O VAL A1479 28.327 -0.016 13.793 1.00 23.73 O +ATOM 17 CB VAL A1479 30.970 0.299 12.145 1.00 25.98 C +ATOM 18 CG1 VAL A1479 32.031 -0.441 12.936 1.00 28.35 C +ATOM 19 CG2 VAL A1479 31.547 0.731 10.781 1.00 26.06 C +ATOM 20 N LYS A1480 29.223 -2.073 13.801 1.00 22.56 N +ATOM 21 CA LYS A1480 28.505 -2.558 14.974 1.00 21.82 C +ATOM 22 C LYS A1480 29.447 -2.652 16.147 1.00 19.87 C +ATOM 23 O LYS A1480 30.567 -3.150 15.994 1.00 20.28 O +ATOM 24 CB LYS A1480 27.901 -3.931 14.673 1.00 23.01 C +ATOM 25 CG LYS A1480 27.119 -3.925 13.362 1.00 27.43 C +ATOM 26 CD LYS A1480 26.300 -5.181 13.122 1.00 32.21 C +ATOM 27 CE LYS A1480 25.100 -4.893 12.210 1.00 34.58 C +ATOM 28 NZ LYS A1480 25.498 -4.095 11.027 1.00 37.65 N +ATOM 29 N TYR A1481 28.990 -2.176 17.296 1.00 17.37 N +ATOM 30 CA TYR A1481 29.680 -2.359 18.583 1.00 17.24 C +ATOM 31 C TYR A1481 28.707 -2.754 19.659 1.00 17.04 C +ATOM 32 O TYR A1481 27.660 -2.166 19.780 1.00 17.97 O +ATOM 33 CB TYR A1481 30.384 -1.085 19.064 1.00 18.39 C +ATOM 34 CG TYR A1481 31.382 -0.485 18.122 1.00 18.89 C +ATOM 35 CD1 TYR A1481 32.707 -0.887 18.123 1.00 22.70 C +ATOM 36 CD2 TYR A1481 31.000 0.488 17.220 1.00 19.22 C +ATOM 37 CE1 TYR A1481 33.617 -0.295 17.238 1.00 24.75 C +ATOM 38 CE2 TYR A1481 31.896 1.061 16.346 1.00 22.61 C +ATOM 39 CZ TYR A1481 33.185 0.666 16.359 1.00 22.90 C +ATOM 40 OH TYR A1481 34.046 1.282 15.475 1.00 29.27 O +ATOM 41 N THR A1482 29.022 -3.770 20.451 1.00 16.85 N +ATOM 42 CA THR A1482 28.215 -4.060 21.600 1.00 17.73 C +ATOM 43 C THR A1482 28.466 -3.037 22.688 1.00 16.07 C +ATOM 44 O THR A1482 29.534 -2.377 22.714 1.00 16.32 O +ATOM 45 CB THR A1482 28.499 -5.454 22.189 1.00 18.12 C +ATOM 46 OG1 THR A1482 29.862 -5.496 22.654 1.00 20.34 O +ATOM 47 CG2 THR A1482 28.296 -6.549 21.150 1.00 22.33 C +ATOM 48 N ALA A1483 27.488 -2.857 23.550 1.00 16.37 N +ATOM 49 CA ALA A1483 27.665 -1.985 24.703 1.00 15.64 C +ATOM 50 C ALA A1483 28.822 -2.477 25.523 1.00 16.38 C +ATOM 51 O ALA A1483 29.605 -1.681 26.059 1.00 15.79 O +ATOM 52 CB ALA A1483 26.407 -1.836 25.550 1.00 16.42 C +ATOM 53 N ALA A1484 28.943 -3.785 25.671 1.00 16.83 N +ATOM 54 CA ALA A1484 30.060 -4.322 26.437 1.00 17.43 C +ATOM 55 C ALA A1484 31.427 -3.963 25.870 1.00 16.04 C +ATOM 56 O ALA A1484 32.320 -3.551 26.622 1.00 16.16 O +ATOM 57 CB ALA A1484 29.870 -5.877 26.554 1.00 18.67 C +ATOM 58 N LYS A1485 31.629 -4.047 24.552 1.00 16.38 N +ATOM 59 CA LYS A1485 32.882 -3.625 23.897 1.00 15.33 C +ATOM 60 C LYS A1485 33.155 -2.106 24.143 1.00 15.42 C +ATOM 61 O LYS A1485 34.259 -1.706 24.470 1.00 14.93 O +ATOM 62 CB LYS A1485 32.854 -3.941 22.393 1.00 17.28 C +ATOM 63 CG LYS A1485 34.076 -3.632 21.649 1.00 21.08 C +ATOM 64 CD LYS A1485 35.186 -4.596 22.065 1.00 28.22 C +ATOM 65 CE LYS A1485 36.441 -4.462 21.264 1.00 32.82 C +ATOM 66 NZ LYS A1485 37.468 -5.406 21.825 1.00 35.93 N +ATOM 67 N LEU A1486 32.139 -1.287 23.950 1.00 14.24 N +ATOM 68 CA LEU A1486 32.301 0.150 24.168 1.00 12.44 C +ATOM 69 C LEU A1486 32.617 0.466 25.645 1.00 12.41 C +ATOM 70 O LEU A1486 33.375 1.399 25.926 1.00 10.69 O +ATOM 71 CB LEU A1486 31.064 0.928 23.714 1.00 12.74 C +ATOM 72 CG LEU A1486 30.745 0.875 22.232 1.00 12.84 C +ATOM 73 CD1 LEU A1486 29.590 1.809 21.944 1.00 15.83 C +ATOM 74 CD2 LEU A1486 31.912 1.232 21.389 1.00 12.74 C +ATOM 75 N HIS A1487 32.045 -0.301 26.570 1.00 11.67 N +ATOM 76 CA HIS A1487 32.302 -0.150 28.026 1.00 11.88 C +ATOM 77 C HIS A1487 33.754 -0.533 28.312 1.00 12.06 C +ATOM 78 O HIS A1487 34.494 0.226 28.954 1.00 12.58 O +ATOM 79 CB HIS A1487 31.347 -1.108 28.762 1.00 13.79 C +ATOM 80 CG HIS A1487 31.133 -0.814 30.215 1.00 12.41 C +ATOM 81 ND1 HIS A1487 30.838 -1.818 31.128 1.00 15.68 N +ATOM 82 CD2 HIS A1487 31.125 0.345 30.922 1.00 13.66 C +ATOM 83 CE1 HIS A1487 30.621 -1.276 32.310 1.00 15.66 C +ATOM 84 NE2 HIS A1487 30.799 0.030 32.223 1.00 17.18 N +ATOM 85 N GLU A1488 34.189 -1.669 27.785 1.00 13.41 N +ATOM 86 CA GLU A1488 35.573 -2.090 27.936 1.00 13.48 C +ATOM 87 C GLU A1488 36.532 -1.014 27.440 1.00 12.91 C +ATOM 88 O GLU A1488 37.557 -0.715 28.078 1.00 13.59 O +ATOM 89 CB GLU A1488 35.795 -3.394 27.181 1.00 15.08 C +ATOM 90 CG GLU A1488 35.142 -4.570 27.834 1.00 16.88 C +ATOM 91 CD GLU A1488 34.835 -5.746 26.894 1.00 23.37 C +ATOM 92 OE1 GLU A1488 35.396 -5.815 25.784 1.00 24.62 O +ATOM 93 OE2 GLU A1488 33.992 -6.564 27.307 1.00 25.28 O +ATOM 94 N LYS A1489 36.257 -0.468 26.261 1.00 12.44 N +ATOM 95 CA LYS A1489 37.113 0.537 25.614 1.00 13.50 C +ATOM 96 C LYS A1489 37.132 1.910 26.309 1.00 11.87 C +ATOM 97 O LYS A1489 37.989 2.739 26.030 1.00 14.48 O +ATOM 98 CB LYS A1489 36.626 0.792 24.180 1.00 15.85 C +ATOM 99 CG LYS A1489 36.848 -0.331 23.237 1.00 21.54 C +ATOM 100 CD LYS A1489 36.209 0.004 21.886 1.00 27.83 C +ATOM 101 CE LYS A1489 36.932 1.158 21.210 1.00 31.64 C +ATOM 102 N GLY A1490 36.114 2.182 27.115 1.00 11.36 N +ATOM 103 CA GLY A1490 35.972 3.479 27.785 1.00 11.08 C +ATOM 104 C GLY A1490 35.092 4.479 27.076 1.00 10.48 C +ATOM 105 O GLY A1490 34.815 5.559 27.578 1.00 10.10 O +ATOM 106 N VAL A1491 34.649 4.133 25.868 1.00 10.71 N +ATOM 107 CA VAL A1491 33.703 4.993 25.161 1.00 10.76 C +ATOM 108 C VAL A1491 32.402 5.103 25.908 1.00 11.10 C +ATOM 109 O VAL A1491 31.844 6.199 26.007 1.00 10.44 O +ATOM 110 CB VAL A1491 33.444 4.465 23.721 1.00 10.80 C +ATOM 111 CG1 VAL A1491 32.273 5.270 23.029 1.00 11.67 C +ATOM 112 CG2 VAL A1491 34.760 4.531 22.924 1.00 12.88 C +ATOM 113 N LEU A1492 31.915 3.994 26.445 1.00 10.79 N +ATOM 114 CA ALEU A1492 30.655 3.994 27.161 0.50 11.13 C +ATOM 115 CA BLEU A1492 30.653 3.947 27.164 0.50 11.47 C +ATOM 116 C LEU A1492 30.950 3.923 28.664 1.00 10.93 C +ATOM 117 O LEU A1492 31.758 3.067 29.129 1.00 11.70 O +ATOM 118 CB ALEU A1492 29.780 2.835 26.671 0.50 11.97 C +ATOM 119 CB BLEU A1492 29.876 2.689 26.753 0.50 12.71 C +ATOM 120 CG ALEU A1492 28.388 2.679 27.293 0.50 11.03 C +ATOM 121 CG BLEU A1492 28.606 2.416 27.568 0.50 12.95 C +ATOM 122 CD1ALEU A1492 27.448 2.060 26.306 0.50 10.50 C +ATOM 123 CD1BLEU A1492 27.560 3.360 27.069 0.50 16.23 C +ATOM 124 CD2ALEU A1492 28.440 1.825 28.551 0.50 12.69 C +ATOM 125 CD2BLEU A1492 28.128 0.962 27.502 0.50 16.68 C +ATOM 126 N LEU A1493 30.334 4.817 29.434 1.00 12.30 N +ATOM 127 CA LEU A1493 30.466 4.802 30.902 1.00 12.93 C +ATOM 128 C LEU A1493 29.395 3.936 31.552 1.00 13.61 C +ATOM 129 O LEU A1493 29.753 3.093 32.405 1.00 16.63 O +ATOM 130 CB LEU A1493 30.435 6.221 31.499 1.00 12.48 C +ATOM 131 CG LEU A1493 31.624 7.150 31.265 1.00 12.01 C +ATOM 132 CD1 LEU A1493 31.726 7.680 29.825 1.00 12.62 C +ATOM 133 CD2 LEU A1493 31.577 8.298 32.204 1.00 13.16 C +ATOM 134 N ASP A1494 28.138 4.122 31.173 1.00 12.96 N +ATOM 135 CA ASP A1494 27.043 3.432 31.842 1.00 15.40 C +ATOM 136 C ASP A1494 25.770 3.542 31.026 1.00 16.62 C +ATOM 137 O ASP A1494 25.647 4.385 30.152 1.00 15.31 O +ATOM 138 CB ASP A1494 26.823 4.028 33.229 1.00 17.75 C +ATOM 139 CG ASP A1494 26.121 3.068 34.188 1.00 22.37 C +ATOM 140 OD1 ASP A1494 25.982 1.857 33.877 1.00 23.85 O +ATOM 141 OD2 ASP A1494 25.743 3.548 35.275 1.00 29.02 O +ATOM 142 N ILE A1495 24.822 2.652 31.323 1.00 18.90 N +ATOM 143 CA ILE A1495 23.481 2.699 30.792 1.00 19.61 C +ATOM 144 C ILE A1495 22.563 2.617 32.025 1.00 22.15 C +ATOM 145 O ILE A1495 22.601 1.645 32.778 1.00 23.11 O +ATOM 146 CB ILE A1495 23.193 1.531 29.831 1.00 19.26 C +ATOM 147 CG1 ILE A1495 24.209 1.534 28.668 1.00 18.00 C +ATOM 148 CG2 ILE A1495 21.754 1.610 29.343 1.00 20.30 C +ATOM 149 CD1 ILE A1495 23.919 0.560 27.608 1.00 19.12 C +ATOM 150 N ASP A1496 21.824 3.689 32.248 1.00 25.00 N +ATOM 151 CA ASP A1496 20.950 3.818 33.420 1.00 28.13 C +ATOM 152 C ASP A1496 19.906 2.701 33.361 1.00 29.90 C +ATOM 153 O ASP A1496 19.263 2.510 32.333 1.00 30.75 O +ATOM 154 CB ASP A1496 20.198 5.141 33.378 1.00 28.22 C +ATOM 155 CG ASP A1496 21.098 6.382 33.449 1.00 30.61 C +ATOM 156 OD1 ASP A1496 22.215 6.335 34.009 1.00 33.67 O +ATOM 157 OD2 ASP A1496 20.641 7.431 32.935 1.00 34.44 O +ATOM 158 N ASP A1497 19.729 1.985 34.462 1.00 32.85 N +ATOM 159 CA ASP A1497 18.633 1.000 34.579 1.00 34.47 C +ATOM 160 C ASP A1497 18.876 -0.249 33.734 1.00 36.08 C +ATOM 161 O ASP A1497 17.932 -0.955 33.312 1.00 37.36 O +ATOM 162 CB ASP A1497 17.293 1.648 34.204 1.00 34.68 C +ATOM 163 N LEU A1498 20.152 -0.524 33.485 1.00 36.56 N +ATOM 164 CA LEU A1498 20.553 -1.739 32.836 1.00 36.73 C +ATOM 165 C LEU A1498 21.631 -2.336 33.702 1.00 36.75 C +ATOM 166 O LEU A1498 22.639 -1.694 34.001 1.00 36.75 O +ATOM 167 CB LEU A1498 21.051 -1.473 31.412 1.00 37.08 C +ATOM 168 CG LEU A1498 21.185 -2.728 30.561 1.00 37.21 C +ATOM 169 CD1 LEU A1498 19.787 -3.275 30.260 1.00 40.58 C +ATOM 170 CD2 LEU A1498 21.951 -2.478 29.265 1.00 39.38 C +ATOM 171 N GLN A1499 21.408 -3.575 34.130 1.00 36.74 N +ATOM 172 CA GLN A1499 22.388 -4.296 34.901 1.00 36.58 C +ATOM 173 C GLN A1499 23.560 -4.552 33.967 1.00 35.99 C +ATOM 174 O GLN A1499 23.366 -4.727 32.767 1.00 34.58 O +ATOM 175 CB GLN A1499 21.792 -5.602 35.438 1.00 37.41 C +ATOM 176 CG GLN A1499 20.736 -5.411 36.551 1.00 40.29 C +ATOM 177 CD GLN A1499 19.382 -4.876 36.065 1.00 44.49 C +ATOM 178 OE1 GLN A1499 19.102 -4.831 34.863 1.00 48.06 O +ATOM 179 NE2 GLN A1499 18.529 -4.474 37.014 1.00 46.60 N +ATOM 180 N THR A1500 24.779 -4.521 34.494 1.00 35.50 N +ATOM 181 CA THR A1500 25.961 -4.655 33.639 1.00 35.13 C +ATOM 182 C THR A1500 25.957 -6.029 32.963 1.00 34.63 C +ATOM 183 O THR A1500 26.569 -6.184 31.906 1.00 34.46 O +ATOM 184 CB THR A1500 27.291 -4.419 34.410 1.00 35.79 C +ATOM 185 N ASN A1501 25.244 -7.001 33.562 1.00 33.88 N +ATOM 186 CA ASN A1501 25.028 -8.332 32.958 1.00 33.00 C +ATOM 187 C ASN A1501 24.032 -8.346 31.792 1.00 31.03 C +ATOM 188 O ASN A1501 23.711 -9.407 31.274 1.00 31.84 O +ATOM 189 CB ASN A1501 24.630 -9.396 34.017 1.00 33.59 C +ATOM 190 CG ASN A1501 23.273 -9.140 34.683 1.00 34.33 C +ATOM 191 OD1 ASN A1501 22.394 -8.469 34.148 1.00 36.35 O +ATOM 192 ND2 ASN A1501 23.100 -9.717 35.869 1.00 38.62 N +ATOM 193 N GLN A1502 23.520 -7.178 31.440 1.00 28.74 N +ATOM 194 CA AGLN A1502 22.683 -7.014 30.265 0.50 27.73 C +ATOM 195 CA BGLN A1502 22.676 -7.031 30.267 0.50 27.61 C +ATOM 196 C GLN A1502 23.355 -6.187 29.182 1.00 26.65 C +ATOM 197 O GLN A1502 22.772 -5.959 28.134 1.00 25.25 O +ATOM 198 CB AGLN A1502 21.368 -6.353 30.655 0.50 27.86 C +ATOM 199 CB BGLN A1502 21.310 -6.440 30.658 0.50 27.69 C +ATOM 200 CG AGLN A1502 20.482 -7.239 31.492 0.50 28.24 C +ATOM 201 CG BGLN A1502 20.575 -7.239 31.764 0.50 27.41 C +ATOM 202 CD AGLN A1502 19.189 -6.561 31.884 0.50 29.38 C +ATOM 203 CD BGLN A1502 19.040 -7.075 31.761 0.50 27.74 C +ATOM 204 OE1AGLN A1502 19.183 -5.398 32.285 0.50 30.26 O +ATOM 205 OE1BGLN A1502 18.433 -6.776 30.730 0.50 27.26 O +ATOM 206 NE2AGLN A1502 18.084 -7.292 31.786 0.50 29.31 N +ATOM 207 NE2BGLN A1502 18.415 -7.307 32.923 0.50 26.49 N +ATOM 208 N PHE A1503 24.598 -5.727 29.407 1.00 25.26 N +ATOM 209 CA PHE A1503 25.261 -4.889 28.356 1.00 24.68 C +ATOM 210 C PHE A1503 25.513 -5.652 27.059 1.00 24.81 C +ATOM 211 O PHE A1503 25.586 -5.068 25.966 1.00 24.61 O +ATOM 212 CB PHE A1503 26.594 -4.268 28.837 1.00 23.85 C +ATOM 213 CG PHE A1503 26.437 -3.059 29.709 1.00 21.55 C +ATOM 214 CD1 PHE A1503 25.276 -2.816 30.401 1.00 21.18 C +ATOM 215 CD2 PHE A1503 27.460 -2.154 29.855 1.00 20.39 C +ATOM 216 CE1 PHE A1503 25.152 -1.728 31.232 1.00 24.06 C +ATOM 217 CE2 PHE A1503 27.319 -1.075 30.694 1.00 17.02 C +ATOM 218 CZ PHE A1503 26.227 -0.866 31.388 1.00 19.85 C +ATOM 219 N LYS A1504 25.685 -6.966 27.190 1.00 25.89 N +ATOM 220 CA LYS A1504 25.883 -7.832 26.038 1.00 26.23 C +ATOM 221 C LYS A1504 24.646 -7.822 25.116 1.00 25.43 C +ATOM 222 O LYS A1504 24.759 -8.090 23.923 1.00 27.18 O +ATOM 223 CB LYS A1504 26.203 -9.251 26.504 1.00 26.84 C +ATOM 224 CG LYS A1504 25.199 -9.898 27.427 1.00 28.99 C +ATOM 225 CD LYS A1504 25.604 -11.357 27.701 1.00 32.02 C +ATOM 226 CE LYS A1504 24.749 -12.019 28.767 1.00 32.77 C +ATOM 227 NZ LYS A1504 25.334 -13.343 29.212 1.00 34.57 N +ATOM 228 N ASN A1505 23.508 -7.463 25.678 1.00 24.39 N +ATOM 229 CA ASN A1505 22.248 -7.481 24.932 1.00 22.64 C +ATOM 230 C ASN A1505 21.961 -6.192 24.206 1.00 20.98 C +ATOM 231 O ASN A1505 20.997 -6.098 23.453 1.00 17.04 O +ATOM 232 CB ASN A1505 21.130 -7.791 25.868 1.00 23.92 C +ATOM 233 CG ASN A1505 21.329 -9.128 26.544 1.00 23.60 C +ATOM 234 OD1 ASN A1505 21.754 -10.132 25.915 1.00 28.77 O +ATOM 235 ND2 ASN A1505 21.124 -9.126 27.796 1.00 19.65 N +ATOM 236 N VAL A1506 22.834 -5.200 24.423 1.00 18.85 N +ATOM 237 CA VAL A1506 22.745 -3.906 23.750 1.00 17.58 C +ATOM 238 C VAL A1506 23.816 -3.815 22.683 1.00 16.39 C +ATOM 239 O VAL A1506 25.001 -4.102 22.943 1.00 17.38 O +ATOM 240 CB VAL A1506 22.910 -2.722 24.732 1.00 16.97 C +ATOM 241 CG1 VAL A1506 22.905 -1.394 23.959 1.00 17.97 C +ATOM 242 CG2 VAL A1506 21.841 -2.699 25.767 1.00 18.57 C +ATOM 243 N ATHR A1507 23.391 -3.469 21.459 0.50 15.58 N +ATOM 244 N BTHR A1507 23.419 -3.432 21.490 0.50 15.52 N +ATOM 245 CA ATHR A1507 24.279 -3.204 20.300 0.50 16.28 C +ATOM 246 CA BTHR A1507 24.388 -3.100 20.482 0.50 16.19 C +ATOM 247 C ATHR A1507 24.009 -1.851 19.620 0.50 15.34 C +ATOM 248 C BTHR A1507 24.069 -1.727 19.921 0.50 15.11 C +ATOM 249 O ATHR A1507 22.876 -1.475 19.335 0.50 15.08 O +ATOM 250 O BTHR A1507 22.981 -1.182 20.127 0.50 14.37 O +ATOM 251 CB ATHR A1507 24.181 -4.275 19.172 0.50 16.68 C +ATOM 252 CB BTHR A1507 24.455 -4.168 19.394 0.50 16.63 C +ATOM 253 OG1ATHR A1507 24.690 -5.533 19.636 0.50 18.22 O +ATOM 254 OG1BTHR A1507 23.169 -4.314 18.782 0.50 17.65 O +ATOM 255 CG2ATHR A1507 24.986 -3.834 17.923 0.50 17.25 C +ATOM 256 CG2BTHR A1507 24.861 -5.507 20.014 0.50 17.66 C +ATOM 257 N PHE A1508 25.085 -1.155 19.285 1.00 14.80 N +ATOM 258 CA PHE A1508 24.977 0.110 18.594 1.00 14.93 C +ATOM 259 C PHE A1508 25.422 -0.083 17.161 1.00 15.07 C +ATOM 260 O PHE A1508 26.489 -0.610 16.940 1.00 18.22 O +ATOM 261 CB PHE A1508 25.809 1.184 19.275 1.00 14.60 C +ATOM 262 CG PHE A1508 25.363 1.457 20.681 1.00 12.81 C +ATOM 263 CD1 PHE A1508 24.257 2.251 20.963 1.00 14.50 C +ATOM 264 CD2 PHE A1508 26.028 0.868 21.736 1.00 14.23 C +ATOM 265 CE1 PHE A1508 23.860 2.460 22.282 1.00 14.58 C +ATOM 266 CE2 PHE A1508 25.634 1.070 23.038 1.00 14.95 C +ATOM 267 CZ PHE A1508 24.573 1.847 23.320 1.00 14.48 C +ATOM 268 N ASP A1509 24.596 0.316 16.192 1.00 16.06 N +ATOM 269 CA ASP A1509 25.030 0.372 14.790 1.00 16.71 C +ATOM 270 C ASP A1509 25.348 1.830 14.456 1.00 16.06 C +ATOM 271 O ASP A1509 24.536 2.706 14.698 1.00 17.58 O +ATOM 272 CB ASP A1509 23.935 -0.128 13.841 1.00 18.13 C +ATOM 273 CG ASP A1509 23.599 -1.639 13.981 1.00 22.39 C +ATOM 274 OD1 ASP A1509 24.303 -2.429 14.657 1.00 28.97 O +ATOM 275 OD2 ASP A1509 22.578 -2.037 13.360 1.00 29.35 O +ATOM 276 N ILE A1510 26.525 2.058 13.904 1.00 15.88 N +ATOM 277 CA ILE A1510 26.948 3.436 13.535 1.00 16.63 C +ATOM 278 C ILE A1510 27.033 3.462 12.027 1.00 17.22 C +ATOM 279 O ILE A1510 27.751 2.682 11.429 1.00 18.03 O +ATOM 280 CB ILE A1510 28.259 3.800 14.201 1.00 16.98 C +ATOM 281 CG1 ILE A1510 28.106 3.616 15.726 1.00 19.65 C +ATOM 282 CG2 ILE A1510 28.678 5.228 13.841 1.00 18.61 C +ATOM 283 CD1 ILE A1510 29.242 4.143 16.540 1.00 23.02 C +ATOM 284 N ILE A1511 26.238 4.324 11.420 1.00 17.98 N +ATOM 285 CA ILE A1511 26.061 4.345 9.989 1.00 19.55 C +ATOM 286 C ILE A1511 26.471 5.717 9.438 1.00 19.19 C +ATOM 287 O ILE A1511 26.048 6.747 9.937 1.00 18.38 O +ATOM 288 CB ILE A1511 24.604 4.043 9.605 1.00 19.75 C +ATOM 289 CG1 ILE A1511 24.047 2.820 10.350 1.00 22.84 C +ATOM 290 CG2 ILE A1511 24.506 3.806 8.121 1.00 24.58 C +ATOM 291 CD1 ILE A1511 22.519 2.728 10.316 1.00 24.81 C +ATOM 292 N ALA A1512 27.312 5.719 8.412 1.00 20.87 N +ATOM 293 CA ALA A1512 27.624 6.959 7.731 1.00 20.73 C +ATOM 294 C ALA A1512 26.385 7.525 7.049 1.00 20.42 C +ATOM 295 O ALA A1512 25.421 6.815 6.731 1.00 21.38 O +ATOM 296 CB ALA A1512 28.744 6.737 6.735 1.00 21.75 C +ATOM 297 N THR A1513 26.405 8.836 6.848 1.00 18.55 N +ATOM 298 CA THR A1513 25.350 9.540 6.135 1.00 18.92 C +ATOM 299 C THR A1513 25.958 10.328 4.988 1.00 18.97 C +ATOM 300 O THR A1513 27.168 10.280 4.773 1.00 21.48 O +ATOM 301 CB THR A1513 24.550 10.462 7.038 1.00 18.84 C +ATOM 302 OG1 THR A1513 25.310 11.630 7.351 1.00 17.08 O +ATOM 303 CG2 THR A1513 24.143 9.706 8.317 1.00 18.96 C +ATOM 304 N GLU A1514 25.104 11.015 4.248 1.00 21.31 N +ATOM 305 CA GLU A1514 25.541 11.830 3.108 1.00 21.85 C +ATOM 306 C GLU A1514 26.306 13.097 3.536 1.00 22.23 C +ATOM 307 O GLU A1514 26.795 13.840 2.685 1.00 23.43 O +ATOM 308 CB GLU A1514 24.329 12.210 2.253 1.00 23.25 C +ATOM 309 CG GLU A1514 23.452 13.217 2.906 1.00 24.12 C +ATOM 310 N ASP A1515 26.391 13.363 4.841 1.00 20.24 N +ATOM 311 CA ASP A1515 27.265 14.427 5.370 1.00 18.98 C +ATOM 312 C ASP A1515 28.471 13.802 6.064 1.00 18.52 C +ATOM 313 O ASP A1515 28.317 12.932 6.891 1.00 16.87 O +ATOM 314 CB ASP A1515 26.503 15.308 6.342 1.00 18.74 C +ATOM 315 CG ASP A1515 25.334 16.040 5.690 1.00 22.87 C +ATOM 316 OD1 ASP A1515 25.544 17.007 4.914 1.00 24.77 O +ATOM 317 OD2 ASP A1515 24.182 15.692 5.988 1.00 24.19 O +ATOM 318 N VAL A1516 29.684 14.227 5.716 1.00 17.76 N +ATOM 319 CA VAL A1516 30.890 13.660 6.317 1.00 19.12 C +ATOM 320 C VAL A1516 30.913 13.867 7.824 1.00 19.65 C +ATOM 321 O VAL A1516 31.542 13.049 8.511 1.00 19.12 O +ATOM 322 CB VAL A1516 32.194 14.209 5.704 1.00 20.24 C +ATOM 323 CG1 VAL A1516 32.243 13.967 4.187 1.00 20.79 C +ATOM 324 CG2 VAL A1516 32.350 15.635 5.982 1.00 22.65 C +ATOM 325 N GLY A1517 30.251 14.910 8.326 1.00 18.26 N +ATOM 326 CA GLY A1517 30.264 15.151 9.776 1.00 19.31 C +ATOM 327 C GLY A1517 29.197 14.437 10.591 1.00 18.87 C +ATOM 328 O GLY A1517 29.245 14.459 11.831 1.00 20.46 O +ATOM 329 N ILE A1518 28.280 13.718 9.937 1.00 16.64 N +ATOM 330 CA ILE A1518 27.092 13.258 10.633 1.00 15.20 C +ATOM 331 C ILE A1518 26.943 11.755 10.561 1.00 14.14 C +ATOM 332 O ILE A1518 27.079 11.120 9.514 1.00 14.00 O +ATOM 333 CB ILE A1518 25.833 13.934 10.133 1.00 15.93 C +ATOM 334 CG1 ILE A1518 25.955 15.460 10.296 1.00 19.16 C +ATOM 335 CG2 ILE A1518 24.555 13.375 10.874 1.00 15.81 C +ATOM 336 CD1 ILE A1518 24.802 16.232 9.773 1.00 21.96 C +ATOM 337 N PHE A1519 26.717 11.160 11.741 1.00 14.31 N +ATOM 338 CA PHE A1519 26.563 9.698 11.898 1.00 15.12 C +ATOM 339 C PHE A1519 25.209 9.336 12.465 1.00 13.79 C +ATOM 340 O PHE A1519 24.693 10.006 13.371 1.00 15.02 O +ATOM 341 CB PHE A1519 27.686 9.080 12.746 1.00 15.10 C +ATOM 342 CG PHE A1519 29.025 9.234 12.105 1.00 17.05 C +ATOM 343 CD1 PHE A1519 29.529 8.234 11.298 1.00 19.74 C +ATOM 344 CD2 PHE A1519 29.719 10.395 12.257 1.00 17.60 C +ATOM 345 CE1 PHE A1519 30.750 8.419 10.671 1.00 20.18 C +ATOM 346 CE2 PHE A1519 30.930 10.574 11.653 1.00 20.41 C +ATOM 347 CZ PHE A1519 31.430 9.592 10.866 1.00 20.27 C +ATOM 348 N ASP A1520 24.614 8.288 11.905 1.00 15.38 N +ATOM 349 CA ASP A1520 23.312 7.761 12.311 1.00 16.86 C +ATOM 350 C ASP A1520 23.603 6.604 13.257 1.00 16.40 C +ATOM 351 O ASP A1520 24.249 5.642 12.853 1.00 18.34 O +ATOM 352 CB ASP A1520 22.646 7.314 11.021 1.00 17.23 C +ATOM 353 CG ASP A1520 21.250 6.768 11.183 1.00 20.37 C +ATOM 354 OD1 ASP A1520 20.714 6.740 12.300 1.00 21.85 O +ATOM 355 OD2 ASP A1520 20.661 6.404 10.106 1.00 24.20 O +ATOM 356 N VAL A1521 23.243 6.757 14.522 1.00 14.88 N +ATOM 357 CA VAL A1521 23.524 5.748 15.543 1.00 13.98 C +ATOM 358 C VAL A1521 22.207 5.106 15.960 1.00 14.75 C +ATOM 359 O VAL A1521 21.312 5.771 16.415 1.00 14.55 O +ATOM 360 CB VAL A1521 24.218 6.331 16.761 1.00 13.86 C +ATOM 361 CG1 VAL A1521 24.520 5.233 17.789 1.00 14.70 C +ATOM 362 CG2 VAL A1521 25.518 7.018 16.320 1.00 16.51 C +ATOM 363 N ARG A1522 22.109 3.796 15.759 1.00 15.38 N +ATOM 364 CA ARG A1522 20.949 3.019 16.234 1.00 15.81 C +ATOM 365 C ARG A1522 21.279 2.206 17.468 1.00 15.45 C +ATOM 366 O ARG A1522 22.332 1.550 17.522 1.00 16.96 O +ATOM 367 CB ARG A1522 20.507 2.055 15.166 1.00 16.52 C +ATOM 368 CG ARG A1522 20.366 2.608 13.797 1.00 18.60 C +ATOM 369 CD ARG A1522 19.355 3.661 13.686 1.00 20.78 C +ATOM 370 NE ARG A1522 19.300 4.162 12.306 1.00 23.89 N +ATOM 371 CZ ARG A1522 18.651 3.589 11.303 1.00 27.93 C +ATOM 372 NH1 ARG A1522 17.943 2.487 11.495 1.00 28.77 N +ATOM 373 NH2 ARG A1522 18.687 4.138 10.090 1.00 28.63 N +ATOM 374 N SER A1523 20.384 2.243 18.430 1.00 16.38 N +ATOM 375 CA SER A1523 20.514 1.532 19.695 1.00 16.54 C +ATOM 376 C SER A1523 19.592 0.332 19.651 1.00 17.45 C +ATOM 377 O SER A1523 18.390 0.505 19.507 1.00 18.07 O +ATOM 378 CB SER A1523 20.083 2.401 20.842 1.00 17.57 C +ATOM 379 OG SER A1523 20.226 1.706 22.072 1.00 21.11 O +ATOM 380 N LYS A1524 20.175 -0.853 19.733 1.00 15.61 N +ATOM 381 CA LYS A1524 19.390 -2.117 19.633 1.00 17.59 C +ATOM 382 C LYS A1524 19.416 -2.823 20.981 1.00 17.55 C +ATOM 383 O LYS A1524 20.403 -2.763 21.728 1.00 17.60 O +ATOM 384 CB LYS A1524 19.933 -2.986 18.523 1.00 17.85 C +ATOM 385 CG LYS A1524 19.916 -2.263 17.148 1.00 21.59 C +ATOM 386 CD LYS A1524 20.670 -3.041 16.116 1.00 28.44 C +ATOM 387 CE LYS A1524 19.839 -4.155 15.561 1.00 32.45 C +ATOM 388 NZ LYS A1524 19.243 -3.787 14.236 1.00 35.62 N +ATOM 389 N PHE A1525 18.317 -3.500 21.307 1.00 16.79 N +ATOM 390 CA PHE A1525 18.235 -4.301 22.500 1.00 16.13 C +ATOM 391 C PHE A1525 17.692 -5.652 22.054 1.00 15.05 C +ATOM 392 O PHE A1525 16.629 -5.691 21.442 1.00 14.68 O +ATOM 393 CB PHE A1525 17.294 -3.662 23.509 1.00 17.00 C +ATOM 394 CG PHE A1525 17.397 -4.241 24.879 1.00 19.02 C +ATOM 395 CD1 PHE A1525 18.291 -3.712 25.786 1.00 25.43 C +ATOM 396 CD2 PHE A1525 16.614 -5.294 25.277 1.00 19.77 C +ATOM 397 CE1 PHE A1525 18.420 -4.257 27.049 1.00 26.28 C +ATOM 398 CE2 PHE A1525 16.757 -5.832 26.526 1.00 19.92 C +ATOM 399 CZ PHE A1525 17.645 -5.323 27.407 1.00 23.31 C +ATOM 400 N LEU A1526 18.444 -6.720 22.312 1.00 14.99 N +ATOM 401 CA LEU A1526 18.068 -8.076 21.840 1.00 15.16 C +ATOM 402 C LEU A1526 17.638 -8.047 20.374 1.00 15.02 C +ATOM 403 O LEU A1526 16.644 -8.661 19.919 1.00 17.00 O +ATOM 404 CB LEU A1526 17.014 -8.682 22.774 1.00 15.99 C +ATOM 405 CG LEU A1526 17.536 -8.879 24.201 1.00 18.01 C +ATOM 406 CD1 LEU A1526 16.371 -9.275 25.146 1.00 21.28 C +ATOM 407 CD2 LEU A1526 18.711 -9.852 24.292 1.00 19.21 C +ATOM 408 N GLY A1527 18.414 -7.322 19.575 1.00 15.31 N +ATOM 409 CA GLY A1527 18.223 -7.310 18.126 1.00 17.66 C +ATOM 410 C GLY A1527 17.189 -6.317 17.624 1.00 17.61 C +ATOM 411 O GLY A1527 16.989 -6.190 16.403 1.00 21.67 O +ATOM 412 N VAL A1528 16.525 -5.636 18.544 1.00 16.61 N +ATOM 413 CA VAL A1528 15.413 -4.747 18.257 1.00 16.39 C +ATOM 414 C VAL A1528 15.920 -3.290 18.345 1.00 15.91 C +ATOM 415 O VAL A1528 16.399 -2.890 19.374 1.00 17.28 O +ATOM 416 CB VAL A1528 14.227 -4.919 19.282 1.00 15.17 C +ATOM 417 CG1 VAL A1528 13.063 -3.916 19.005 1.00 16.34 C +ATOM 418 CG2 VAL A1528 13.683 -6.356 19.275 1.00 17.11 C +ATOM 419 N GLU A1529 15.687 -2.494 17.298 1.00 18.29 N +ATOM 420 CA GLU A1529 16.033 -1.057 17.338 1.00 19.06 C +ATOM 421 C GLU A1529 15.067 -0.349 18.275 1.00 20.14 C +ATOM 422 O GLU A1529 13.835 -0.363 18.043 1.00 21.98 O +ATOM 423 CB GLU A1529 16.000 -0.419 15.956 1.00 19.95 C +ATOM 424 CG GLU A1529 16.416 1.078 16.020 1.00 19.72 C +ATOM 425 CD GLU A1529 16.408 1.774 14.671 1.00 19.05 C +ATOM 426 OE1 GLU A1529 16.983 1.208 13.730 1.00 23.52 O +ATOM 427 OE2 GLU A1529 15.831 2.888 14.574 1.00 26.06 O +ATOM 428 N MET A1530 15.594 0.271 19.323 1.00 20.30 N +ATOM 429 CA MET A1530 14.830 0.941 20.377 1.00 21.48 C +ATOM 430 C MET A1530 14.853 2.464 20.235 1.00 22.00 C +ATOM 431 O MET A1530 13.900 3.154 20.620 1.00 23.34 O +ATOM 432 CB MET A1530 15.409 0.574 21.746 1.00 22.39 C +ATOM 433 CG MET A1530 15.379 -0.937 22.075 1.00 23.70 C +ATOM 434 SD MET A1530 13.746 -1.748 21.971 1.00 29.03 S +ATOM 435 CE MET A1530 12.668 -0.519 22.677 1.00 28.82 C +ATOM 436 N GLU A1531 15.942 3.000 19.684 1.00 20.69 N +ATOM 437 CA AGLU A1531 16.032 4.432 19.474 0.50 20.10 C +ATOM 438 CA BGLU A1531 16.157 4.448 19.640 0.50 20.60 C +ATOM 439 C GLU A1531 17.202 4.717 18.568 1.00 19.02 C +ATOM 440 O GLU A1531 17.946 3.825 18.192 1.00 16.61 O +ATOM 441 CB AGLU A1531 16.144 5.175 20.801 0.50 20.42 C +ATOM 442 CB BGLU A1531 16.649 4.980 21.006 0.50 21.38 C +ATOM 443 CG AGLU A1531 16.996 4.471 21.839 0.50 21.42 C +ATOM 444 CG BGLU A1531 15.581 5.075 22.113 0.50 24.27 C +ATOM 445 CD AGLU A1531 17.055 5.227 23.122 0.50 25.72 C +ATOM 446 CD BGLU A1531 16.011 5.906 23.324 0.50 28.85 C +ATOM 447 OE1AGLU A1531 17.510 4.637 24.128 0.50 28.37 O +ATOM 448 OE1BGLU A1531 17.087 5.616 23.907 0.50 30.29 O +ATOM 449 OE2AGLU A1531 16.640 6.412 23.121 0.50 29.24 O +ATOM 450 OE2BGLU A1531 15.266 6.846 23.710 0.50 32.03 O +ATOM 451 N LYS A1532 17.271 5.944 18.098 1.00 18.51 N +ATOM 452 CA LYS A1532 18.268 6.347 17.109 1.00 18.96 C +ATOM 453 C LYS A1532 18.570 7.820 17.362 1.00 17.24 C +ATOM 454 O LYS A1532 17.741 8.568 17.909 1.00 16.84 O +ATOM 455 CB LYS A1532 17.775 6.140 15.686 1.00 19.40 C +ATOM 456 CG LYS A1532 16.543 6.949 15.367 1.00 24.46 C +ATOM 457 CD LYS A1532 15.933 6.621 14.005 1.00 28.66 C +ATOM 458 CE LYS A1532 16.836 6.933 12.848 1.00 30.89 C +ATOM 459 NZ LYS A1532 16.097 6.655 11.553 1.00 34.71 N +ATOM 460 N VAL A1533 19.793 8.207 17.019 1.00 15.81 N +ATOM 461 CA VAL A1533 20.235 9.594 17.187 1.00 15.43 C +ATOM 462 C VAL A1533 21.154 9.917 16.048 1.00 15.20 C +ATOM 463 O VAL A1533 21.922 9.080 15.599 1.00 15.30 O +ATOM 464 CB VAL A1533 20.940 9.812 18.562 1.00 15.02 C +ATOM 465 CG1 VAL A1533 22.242 9.018 18.728 1.00 14.86 C +ATOM 466 CG2 VAL A1533 21.163 11.311 18.879 1.00 16.73 C +ATOM 467 N GLN A1534 21.091 11.145 15.542 1.00 15.52 N +ATOM 468 CA GLN A1534 22.045 11.615 14.564 1.00 16.11 C +ATOM 469 C GLN A1534 23.054 12.474 15.294 1.00 16.22 C +ATOM 470 O GLN A1534 22.682 13.431 15.973 1.00 17.79 O +ATOM 471 CB GLN A1534 21.388 12.444 13.463 1.00 17.70 C +ATOM 472 CG GLN A1534 20.170 11.822 12.794 1.00 21.43 C +ATOM 473 CD GLN A1534 20.393 10.413 12.341 1.00 25.01 C +ATOM 474 OE1 GLN A1534 21.132 10.175 11.379 1.00 26.53 O +ATOM 475 NE2 GLN A1534 19.725 9.455 13.006 1.00 26.19 N +ATOM 476 N LEU A1535 24.321 12.125 15.172 1.00 13.80 N +ATOM 477 CA LEU A1535 25.390 12.812 15.866 1.00 14.16 C +ATOM 478 C LEU A1535 26.241 13.558 14.855 1.00 14.78 C +ATOM 479 O LEU A1535 26.822 12.971 13.972 1.00 15.69 O +ATOM 480 CB LEU A1535 26.283 11.825 16.602 1.00 14.76 C +ATOM 481 CG LEU A1535 25.684 11.008 17.751 1.00 14.69 C +ATOM 482 CD1 LEU A1535 26.746 10.038 18.337 1.00 18.19 C +ATOM 483 CD2 LEU A1535 25.099 11.908 18.841 1.00 15.79 C +ATOM 484 N ASN A1536 26.330 14.849 15.049 1.00 14.41 N +ATOM 485 CA ASN A1536 27.209 15.715 14.257 1.00 14.99 C +ATOM 486 C ASN A1536 28.514 15.903 15.054 1.00 15.72 C +ATOM 487 O ASN A1536 28.500 16.430 16.187 1.00 15.36 O +ATOM 488 CB ASN A1536 26.485 17.022 13.990 1.00 15.73 C +ATOM 489 CG ASN A1536 27.296 17.990 13.192 1.00 17.71 C +ATOM 490 OD1 ASN A1536 28.480 17.745 12.909 1.00 19.98 O +ATOM 491 ND2 ASN A1536 26.673 19.085 12.824 1.00 21.36 N +ATOM 492 N ILE A1537 29.620 15.451 14.475 1.00 16.31 N +ATOM 493 CA ILE A1537 30.930 15.528 15.156 1.00 17.64 C +ATOM 494 C ILE A1537 31.239 16.968 15.545 1.00 17.75 C +ATOM 495 O ILE A1537 31.929 17.150 16.559 1.00 18.17 O +ATOM 496 CB ILE A1537 32.044 14.775 14.293 1.00 19.05 C +ATOM 497 CG1 ILE A1537 33.200 14.273 15.193 1.00 21.54 C +ATOM 498 CG2 ILE A1537 32.543 15.672 13.225 1.00 22.40 C +ATOM 499 CD1 ILE A1537 34.143 13.188 14.503 1.00 25.70 C +ATOM 500 N GLN A1538 30.701 17.985 14.862 1.00 17.77 N +ATOM 501 CA AGLN A1538 30.952 19.342 15.315 0.50 18.39 C +ATOM 502 CA BGLN A1538 30.822 19.437 15.259 0.50 18.62 C +ATOM 503 C GLN A1538 30.240 19.704 16.628 1.00 18.10 C +ATOM 504 O GLN A1538 30.731 20.539 17.403 1.00 17.86 O +ATOM 505 CB AGLN A1538 30.647 20.276 14.182 0.50 18.72 C +ATOM 506 CB BGLN A1538 30.106 20.400 14.280 0.50 19.08 C +ATOM 507 CG AGLN A1538 31.452 19.859 12.960 0.50 18.84 C +ATOM 508 CG BGLN A1538 30.130 21.911 14.707 0.50 22.10 C +ATOM 509 CD AGLN A1538 31.109 20.656 11.720 0.50 20.57 C +ATOM 510 CD BGLN A1538 29.777 22.909 13.608 0.50 26.20 C +ATOM 511 OE1AGLN A1538 31.072 21.881 11.758 0.50 22.90 O +ATOM 512 OE1BGLN A1538 29.233 22.545 12.563 0.50 30.76 O +ATOM 513 NE2AGLN A1538 30.823 19.963 10.631 0.50 20.60 N +ATOM 514 NE2BGLN A1538 30.085 24.185 13.848 0.50 27.66 N +ATOM 515 N ASP A1539 29.104 19.084 16.898 1.00 16.70 N +ATOM 516 CA ASP A1539 28.451 19.283 18.188 1.00 16.72 C +ATOM 517 C ASP A1539 29.317 18.669 19.304 1.00 16.63 C +ATOM 518 O ASP A1539 29.444 19.228 20.406 1.00 15.74 O +ATOM 519 CB ASP A1539 27.045 18.661 18.193 1.00 17.19 C +ATOM 520 CG ASP A1539 26.042 19.451 17.336 1.00 20.99 C +ATOM 521 OD1 ASP A1539 26.113 20.716 17.341 1.00 27.98 O +ATOM 522 OD2 ASP A1539 25.187 18.832 16.678 1.00 22.15 O +ATOM 523 N LEU A1540 29.975 17.553 19.034 1.00 14.81 N +ATOM 524 CA LEU A1540 30.869 16.903 19.971 1.00 15.07 C +ATOM 525 C LEU A1540 32.107 17.772 20.210 1.00 14.08 C +ATOM 526 O LEU A1540 32.566 17.910 21.339 1.00 15.19 O +ATOM 527 CB LEU A1540 31.237 15.501 19.482 1.00 16.49 C +ATOM 528 CG LEU A1540 30.069 14.521 19.261 1.00 19.09 C +ATOM 529 CD1 LEU A1540 30.619 13.202 18.808 1.00 20.97 C +ATOM 530 CD2 LEU A1540 29.270 14.313 20.485 1.00 22.65 C +ATOM 531 N LEU A1541 32.593 18.377 19.137 1.00 14.95 N +ATOM 532 CA LEU A1541 33.779 19.247 19.244 1.00 15.61 C +ATOM 533 C LEU A1541 33.428 20.460 20.070 1.00 17.67 C +ATOM 534 O LEU A1541 34.317 20.925 20.819 1.00 20.05 O +ATOM 535 CB LEU A1541 34.288 19.701 17.899 1.00 15.78 C +ATOM 536 CG LEU A1541 35.002 18.633 17.099 1.00 15.47 C +ATOM 537 CD1 LEU A1541 35.187 19.113 15.641 1.00 17.32 C +ATOM 538 CD2 LEU A1541 36.313 18.209 17.731 1.00 18.70 C +ATOM 539 N GLN A1542 32.202 20.985 19.960 1.00 17.58 N +ATOM 540 CA GLN A1542 31.756 22.166 20.771 1.00 18.46 C +ATOM 541 C GLN A1542 31.781 21.771 22.243 1.00 19.82 C +ATOM 542 O GLN A1542 32.260 22.539 23.098 1.00 22.85 O +ATOM 543 CB GLN A1542 30.406 22.713 20.331 1.00 19.30 C +ATOM 544 CG GLN A1542 30.487 23.533 19.065 1.00 23.65 C +ATOM 545 CD GLN A1542 29.177 24.054 18.496 1.00 28.93 C +ATOM 546 OE1 GLN A1542 28.079 23.943 19.079 1.00 30.47 O +ATOM 547 NE2 GLN A1542 29.299 24.632 17.299 1.00 30.08 N +ATOM 548 N MET A1543 31.388 20.541 22.540 1.00 18.51 N +ATOM 549 CA MET A1543 31.439 20.029 23.924 1.00 19.28 C +ATOM 550 C MET A1543 32.854 19.962 24.442 1.00 20.61 C +ATOM 551 O MET A1543 33.105 20.377 25.600 1.00 22.16 O +ATOM 552 CB MET A1543 30.829 18.639 24.000 1.00 18.11 C +ATOM 553 CG MET A1543 29.367 18.602 23.791 1.00 17.25 C +ATOM 554 SD MET A1543 28.766 16.920 23.714 1.00 17.14 S +ATOM 555 CE MET A1543 27.089 17.232 23.147 1.00 21.84 C +ATOM 556 N GLN A1544 33.767 19.458 23.627 1.00 21.90 N +ATOM 557 CA GLN A1544 35.216 19.372 23.927 1.00 23.40 C +ATOM 558 C GLN A1544 35.730 20.801 24.240 1.00 25.82 C +ATOM 559 O GLN A1544 36.718 20.912 25.006 1.00 27.82 O +ATOM 560 CB GLN A1544 35.974 18.669 22.791 1.00 24.53 C +ATOM 561 CG GLN A1544 37.499 18.420 22.948 1.00 27.06 C +ATOM 562 CD GLN A1544 38.184 17.981 21.644 1.00 29.46 C +ATOM 563 OE1 GLN A1544 38.632 18.833 20.833 1.00 28.81 O +ATOM 564 NE2 GLN A1544 38.328 16.656 21.459 1.00 29.24 N +ATOM 565 N TYR A1545 35.003 21.839 23.739 1.00 27.20 N +ATOM 566 CA TYR A1545 35.239 23.318 24.066 1.00 27.17 C +ATOM 567 C TYR A1545 34.554 23.962 25.269 1.00 28.24 C +ATOM 568 O TYR A1545 34.981 25.054 25.718 1.00 29.22 O +ATOM 569 CB TYR A1545 34.859 24.237 22.859 1.00 27.11 C +ATOM 570 CG TYR A1545 35.401 23.797 21.538 1.00 25.26 C +ATOM 571 CD1 TYR A1545 36.614 23.148 21.454 1.00 23.49 C +ATOM 572 CD2 TYR A1545 34.689 24.044 20.338 1.00 23.86 C +ATOM 573 CE1 TYR A1545 37.118 22.697 20.220 1.00 27.43 C +ATOM 574 CE2 TYR A1545 35.171 23.609 19.099 1.00 26.62 C +ATOM 575 CZ TYR A1545 36.408 22.928 19.052 1.00 26.25 C +ATOM 576 OH TYR A1545 36.956 22.476 17.858 1.00 27.38 O +ATOM 577 N GLU A1546 33.440 23.432 25.735 1.00 28.46 N +ATOM 578 CA GLU A1546 32.985 23.842 27.029 1.00 28.51 C +ATOM 579 C GLU A1546 33.861 23.090 28.089 1.00 27.00 C +ATOM 580 O GLU A1546 33.634 23.300 29.262 1.00 29.87 O +ATOM 581 CB GLU A1546 31.469 23.614 27.233 1.00 29.47 C +ATOM 582 CG GLU A1546 30.505 24.222 26.183 1.00 30.89 C +ATOM 583 CD GLU A1546 30.429 25.743 26.211 1.00 33.89 C +ATOM 584 OE1 GLU A1546 30.832 26.366 25.187 1.00 36.16 O +ATOM 585 OE2 GLU A1546 29.969 26.319 27.236 1.00 33.35 O +ATOM 586 N GLY A1547 34.841 22.267 27.668 1.00 26.21 N +ATOM 587 CA GLY A1547 35.600 21.317 28.532 1.00 24.20 C +ATOM 588 C GLY A1547 34.760 20.193 29.142 1.00 22.42 C +ATOM 589 O GLY A1547 34.954 19.782 30.294 1.00 21.15 O +ATOM 590 N VAL A1548 33.802 19.702 28.354 1.00 18.89 N +ATOM 591 CA VAL A1548 32.857 18.670 28.756 1.00 17.94 C +ATOM 592 C VAL A1548 33.422 17.333 28.318 1.00 15.06 C +ATOM 593 O VAL A1548 33.721 17.105 27.127 1.00 16.31 O +ATOM 594 CB VAL A1548 31.526 18.881 28.047 1.00 18.32 C +ATOM 595 CG1 VAL A1548 30.500 17.812 28.470 1.00 21.01 C +ATOM 596 CG2 VAL A1548 31.031 20.292 28.314 1.00 21.30 C +ATOM 597 N ALA A1549 33.565 16.414 29.266 1.00 12.40 N +ATOM 598 CA ALA A1549 34.133 15.111 29.039 1.00 10.95 C +ATOM 599 C ALA A1549 33.156 14.038 28.620 1.00 11.67 C +ATOM 600 O ALA A1549 33.569 13.063 27.983 1.00 10.93 O +ATOM 601 CB ALA A1549 34.868 14.646 30.288 1.00 12.06 C +ATOM 602 N VAL A1550 31.899 14.169 29.040 1.00 11.23 N +ATOM 603 CA VAL A1550 30.904 13.138 28.854 1.00 12.36 C +ATOM 604 C VAL A1550 29.557 13.752 28.449 1.00 12.92 C +ATOM 605 O VAL A1550 29.249 14.904 28.795 1.00 13.57 O +ATOM 606 CB VAL A1550 30.703 12.366 30.158 1.00 13.02 C +ATOM 607 CG1 VAL A1550 32.011 11.691 30.545 1.00 13.92 C +ATOM 608 CG2 VAL A1550 30.189 13.290 31.243 1.00 16.96 C +ATOM 609 N MET A1551 28.794 12.969 27.722 1.00 12.44 N +ATOM 610 CA AMET A1551 27.455 13.352 27.235 0.50 12.38 C +ATOM 611 CA BMET A1551 27.449 13.368 27.302 0.50 12.50 C +ATOM 612 C MET A1551 26.508 12.172 27.362 1.00 13.11 C +ATOM 613 O MET A1551 26.931 11.023 27.597 1.00 13.18 O +ATOM 614 CB AMET A1551 27.509 13.771 25.770 0.50 12.80 C +ATOM 615 CB BMET A1551 27.480 14.013 25.918 0.50 12.92 C +ATOM 616 CG AMET A1551 27.968 12.656 24.855 0.50 14.85 C +ATOM 617 CG BMET A1551 27.949 13.111 24.801 0.50 14.85 C +ATOM 618 SD AMET A1551 28.126 13.235 23.189 0.50 18.11 S +ATOM 619 SD BMET A1551 26.629 12.111 24.149 0.50 17.86 S +ATOM 620 CE AMET A1551 26.832 12.316 22.375 0.50 18.29 C +ATOM 621 CE BMET A1551 27.216 11.700 22.508 0.50 18.05 C +ATOM 622 N LYS A1552 25.226 12.420 27.113 1.00 12.99 N +ATOM 623 CA LYS A1552 24.230 11.362 27.126 1.00 15.81 C +ATOM 624 C LYS A1552 23.747 11.161 25.707 1.00 16.97 C +ATOM 625 O LYS A1552 22.922 11.957 25.214 1.00 18.27 O +ATOM 626 CB LYS A1552 23.080 11.733 28.054 1.00 18.24 C +ATOM 627 CG LYS A1552 23.411 11.544 29.478 1.00 24.32 C +ATOM 628 CD LYS A1552 22.402 10.547 30.108 1.00 32.52 C +ATOM 629 CE LYS A1552 22.463 10.490 31.628 1.00 36.16 C +ATOM 630 NZ LYS A1552 21.338 9.662 32.177 1.00 38.43 N +ATOM 631 N MET A1553 24.311 10.139 25.033 1.00 18.45 N +ATOM 632 CA MET A1553 24.131 9.895 23.608 1.00 17.97 C +ATOM 633 C MET A1553 22.709 9.469 23.416 1.00 19.58 C +ATOM 634 O MET A1553 22.132 9.737 22.390 1.00 20.68 O +ATOM 635 CB MET A1553 25.104 8.811 23.113 1.00 19.68 C +ATOM 636 CG MET A1553 24.970 8.316 21.667 1.00 14.26 C +ATOM 637 SD MET A1553 26.347 7.274 21.178 1.00 21.01 S +ATOM 638 CE MET A1553 25.873 5.758 22.064 1.00 19.97 C +ATOM 639 N PHE A1554 22.187 8.789 24.410 1.00 20.17 N +ATOM 640 CA PHE A1554 20.744 8.518 24.574 1.00 21.52 C +ATOM 641 C PHE A1554 20.462 8.856 25.997 1.00 23.34 C +ATOM 642 O PHE A1554 21.387 8.919 26.778 1.00 23.92 O +ATOM 643 CB PHE A1554 20.374 7.042 24.265 1.00 21.59 C +ATOM 644 CG PHE A1554 20.609 6.634 22.817 1.00 18.74 C +ATOM 645 CD1 PHE A1554 19.736 7.035 21.791 1.00 20.19 C +ATOM 646 CD2 PHE A1554 21.746 5.937 22.457 1.00 18.73 C +ATOM 647 CE1 PHE A1554 20.004 6.658 20.484 1.00 18.22 C +ATOM 648 CE2 PHE A1554 22.005 5.597 21.168 1.00 18.39 C +ATOM 649 CZ PHE A1554 21.124 5.961 20.178 1.00 19.00 C +ATOM 650 N ASP A1555 19.187 9.134 26.326 1.00 26.17 N +ATOM 651 CA ASP A1555 18.834 9.668 27.655 1.00 27.52 C +ATOM 652 C ASP A1555 19.377 8.828 28.789 1.00 26.17 C +ATOM 653 O ASP A1555 19.393 9.275 29.929 1.00 29.37 O +ATOM 654 CB ASP A1555 17.316 9.721 27.832 1.00 29.26 C +ATOM 655 CG ASP A1555 16.691 10.942 27.204 1.00 32.61 C +ATOM 656 OD1 ASP A1555 17.430 11.813 26.677 1.00 40.81 O +ATOM 657 OD2 ASP A1555 15.439 11.030 27.243 1.00 40.88 O +ATOM 658 N LYS A1556 19.794 7.612 28.464 1.00 24.69 N +ATOM 659 CA ALYS A1556 20.217 6.652 29.463 0.50 23.34 C +ATOM 660 CA BLYS A1556 20.192 6.604 29.414 0.50 23.14 C +ATOM 661 C LYS A1556 21.676 6.235 29.261 1.00 20.87 C +ATOM 662 O LYS A1556 22.241 5.561 30.122 1.00 21.15 O +ATOM 663 CB ALYS A1556 19.306 5.414 29.449 0.50 24.04 C +ATOM 664 CB BLYS A1556 19.346 5.347 29.186 0.50 23.64 C +ATOM 665 CG ALYS A1556 18.903 4.930 28.057 0.50 25.47 C +ATOM 666 CG BLYS A1556 19.317 4.829 27.730 0.50 24.44 C +ATOM 667 CD ALYS A1556 18.223 3.564 28.093 0.50 25.00 C +ATOM 668 CD BLYS A1556 18.188 5.449 26.882 0.50 22.22 C +ATOM 669 N VAL A1557 22.288 6.672 28.155 1.00 18.06 N +ATOM 670 CA VAL A1557 23.580 6.113 27.735 1.00 15.90 C +ATOM 671 C VAL A1557 24.656 7.187 27.822 1.00 13.42 C +ATOM 672 O VAL A1557 24.680 8.121 27.043 1.00 14.54 O +ATOM 673 CB VAL A1557 23.544 5.514 26.306 1.00 15.04 C +ATOM 674 CG1 VAL A1557 24.876 4.924 25.903 1.00 13.42 C +ATOM 675 CG2 VAL A1557 22.451 4.397 26.184 1.00 15.69 C +ATOM 676 N LYS A1558 25.514 7.081 28.827 1.00 11.94 N +ATOM 677 CA LYS A1558 26.578 8.036 29.058 1.00 12.81 C +ATOM 678 C LYS A1558 27.825 7.597 28.330 1.00 11.33 C +ATOM 679 O LYS A1558 28.280 6.464 28.523 1.00 11.38 O +ATOM 680 CB LYS A1558 26.890 8.148 30.560 1.00 13.25 C +ATOM 681 CG LYS A1558 27.786 9.314 30.924 1.00 18.77 C +ATOM 682 CD LYS A1558 27.932 9.447 32.449 1.00 25.07 C +ATOM 683 CE LYS A1558 26.638 9.888 33.105 1.00 29.50 C +ATOM 684 NZ LYS A1558 26.873 10.299 34.544 1.00 34.01 N +ATOM 685 N VAL A1559 28.399 8.524 27.544 1.00 9.60 N +ATOM 686 CA VAL A1559 29.567 8.272 26.716 1.00 11.12 C +ATOM 687 C VAL A1559 30.624 9.347 26.876 1.00 11.22 C +ATOM 688 O VAL A1559 30.339 10.508 27.174 1.00 12.35 O +ATOM 689 CB VAL A1559 29.225 8.083 25.228 1.00 11.08 C +ATOM 690 CG1 VAL A1559 28.225 6.893 25.033 1.00 13.31 C +ATOM 691 CG2 VAL A1559 28.709 9.303 24.642 1.00 13.55 C +ATOM 692 N ASN A1560 31.873 8.958 26.631 1.00 9.74 N +ATOM 693 CA ASN A1560 33.027 9.836 26.675 1.00 9.27 C +ATOM 694 C ASN A1560 33.188 10.555 25.328 1.00 9.33 C +ATOM 695 O ASN A1560 33.318 9.902 24.294 1.00 9.67 O +ATOM 696 CB ASN A1560 34.286 9.063 27.061 1.00 10.00 C +ATOM 697 CG ASN A1560 35.465 9.939 27.181 1.00 10.45 C +ATOM 698 OD1 ASN A1560 36.048 10.351 26.168 1.00 11.37 O +ATOM 699 ND2 ASN A1560 35.880 10.247 28.411 1.00 10.16 N +ATOM 700 N VAL A1561 33.175 11.891 25.371 1.00 9.54 N +ATOM 701 CA VAL A1561 33.149 12.732 24.200 1.00 10.09 C +ATOM 702 C VAL A1561 34.417 12.474 23.391 1.00 10.01 C +ATOM 703 O VAL A1561 34.323 12.268 22.165 1.00 11.10 O +ATOM 704 CB VAL A1561 33.007 14.239 24.568 1.00 10.27 C +ATOM 705 CG1 VAL A1561 33.207 15.122 23.346 1.00 14.07 C +ATOM 706 CG2 VAL A1561 31.625 14.513 25.167 1.00 11.74 C +ATOM 707 N ASN A1562 35.599 12.595 23.980 1.00 11.96 N +ATOM 708 CA ASN A1562 36.836 12.474 23.214 1.00 12.48 C +ATOM 709 C ASN A1562 36.953 11.111 22.586 1.00 11.13 C +ATOM 710 O ASN A1562 37.368 10.985 21.442 1.00 12.74 O +ATOM 711 CB ASN A1562 38.065 12.736 24.109 1.00 14.45 C +ATOM 712 CG ASN A1562 38.290 14.245 24.396 1.00 20.45 C +ATOM 713 OD1 ASN A1562 37.598 15.113 23.828 1.00 24.93 O +ATOM 714 ND2 ASN A1562 39.252 14.554 25.269 1.00 23.89 N +ATOM 715 N LEU A1563 36.619 10.047 23.301 1.00 10.68 N +ATOM 716 CA LEU A1563 36.765 8.715 22.751 1.00 10.58 C +ATOM 717 C LEU A1563 35.726 8.449 21.661 1.00 11.14 C +ATOM 718 O LEU A1563 35.980 7.719 20.728 1.00 13.01 O +ATOM 719 CB LEU A1563 36.699 7.657 23.857 1.00 11.53 C +ATOM 720 CG LEU A1563 37.847 7.710 24.857 1.00 12.54 C +ATOM 721 CD1 LEU A1563 37.745 6.707 25.996 1.00 13.41 C +ATOM 722 CD2 LEU A1563 39.173 7.490 24.064 1.00 16.34 C +ATOM 723 N LEU A1564 34.540 9.030 21.793 1.00 10.67 N +ATOM 724 CA LEU A1564 33.540 8.900 20.757 1.00 11.30 C +ATOM 725 C LEU A1564 33.959 9.600 19.466 1.00 12.24 C +ATOM 726 O LEU A1564 33.783 9.045 18.384 1.00 11.77 O +ATOM 727 CB LEU A1564 32.182 9.432 21.225 1.00 12.22 C +ATOM 728 CG LEU A1564 31.051 9.302 20.196 1.00 12.02 C +ATOM 729 CD1 LEU A1564 30.781 7.827 19.868 1.00 14.07 C +ATOM 730 CD2 LEU A1564 29.784 9.936 20.764 1.00 14.07 C +ATOM 731 N ILE A1565 34.499 10.815 19.566 1.00 11.50 N +ATOM 732 CA ILE A1565 34.952 11.534 18.371 1.00 12.78 C +ATOM 733 C ILE A1565 35.996 10.639 17.656 1.00 13.11 C +ATOM 734 O ILE A1565 35.939 10.484 16.445 1.00 15.39 O +ATOM 735 CB ILE A1565 35.528 12.942 18.718 1.00 12.17 C +ATOM 736 CG1 ILE A1565 34.457 13.879 19.276 1.00 13.38 C +ATOM 737 CG2 ILE A1565 36.249 13.565 17.481 1.00 16.03 C +ATOM 738 CD1 ILE A1565 35.107 15.109 19.911 1.00 15.96 C +ATOM 739 N TYR A1566 36.925 10.055 18.402 1.00 13.12 N +ATOM 740 CA TYR A1566 37.992 9.220 17.802 1.00 14.97 C +ATOM 741 C TYR A1566 37.351 8.028 17.100 1.00 15.11 C +ATOM 742 O TYR A1566 37.710 7.692 15.976 1.00 16.53 O +ATOM 743 CB TYR A1566 39.035 8.792 18.844 1.00 16.51 C +ATOM 744 CG TYR A1566 40.141 7.926 18.310 1.00 20.87 C +ATOM 745 CD1 TYR A1566 41.229 8.487 17.671 1.00 25.40 C +ATOM 746 CD2 TYR A1566 40.098 6.544 18.450 1.00 23.57 C +ATOM 747 CE1 TYR A1566 42.249 7.698 17.169 1.00 28.47 C +ATOM 748 CE2 TYR A1566 41.114 5.748 17.947 1.00 26.71 C +ATOM 749 CZ TYR A1566 42.181 6.335 17.326 1.00 29.39 C +ATOM 750 OH TYR A1566 43.195 5.548 16.836 1.00 34.96 O +ATOM 751 N LEU A1567 36.387 7.400 17.755 1.00 14.63 N +ATOM 752 CA ALEU A1567 35.684 6.226 17.217 0.50 15.58 C +ATOM 753 CA BLEU A1567 35.716 6.227 17.196 0.50 15.69 C +ATOM 754 C LEU A1567 34.983 6.564 15.908 1.00 16.19 C +ATOM 755 O LEU A1567 35.079 5.809 14.915 1.00 17.02 O +ATOM 756 CB ALEU A1567 34.688 5.678 18.258 0.50 15.55 C +ATOM 757 CB BLEU A1567 34.779 5.591 18.228 0.50 15.57 C +ATOM 758 CG ALEU A1567 34.025 4.318 18.027 0.50 16.11 C +ATOM 759 CG BLEU A1567 33.976 4.373 17.773 0.50 16.90 C +ATOM 760 CD1ALEU A1567 35.033 3.213 18.325 0.50 17.42 C +ATOM 761 CD1BLEU A1567 33.647 3.527 18.979 0.50 16.47 C +ATOM 762 CD2ALEU A1567 32.760 4.159 18.860 0.50 14.57 C +ATOM 763 CD2BLEU A1567 32.727 4.782 16.977 0.50 18.59 C +ATOM 764 N LEU A1568 34.294 7.691 15.884 1.00 15.66 N +ATOM 765 CA LEU A1568 33.519 8.115 14.711 1.00 17.61 C +ATOM 766 C LEU A1568 34.483 8.454 13.592 1.00 19.02 C +ATOM 767 O LEU A1568 34.151 8.234 12.412 1.00 22.92 O +ATOM 768 CB LEU A1568 32.594 9.298 15.026 1.00 17.00 C +ATOM 769 CG LEU A1568 31.447 9.007 15.995 1.00 16.41 C +ATOM 770 CD1 LEU A1568 30.751 10.306 16.254 1.00 16.84 C +ATOM 771 CD2 LEU A1568 30.496 7.935 15.477 1.00 18.26 C +ATOM 772 N ASN A1569 35.667 8.956 13.901 1.00 19.54 N +ATOM 773 CA ASN A1569 36.614 9.345 12.869 1.00 22.31 C +ATOM 774 C ASN A1569 37.482 8.163 12.375 1.00 25.92 C +ATOM 775 O ASN A1569 38.274 8.316 11.430 1.00 28.67 O +ATOM 776 CB ASN A1569 37.457 10.492 13.386 1.00 22.95 C +ATOM 777 N LYS A1570 37.297 6.981 12.954 1.00 28.28 N +ATOM 778 CA LYS A1570 38.138 5.813 12.648 1.00 29.90 C +ATOM 779 C LYS A1570 37.474 4.945 11.577 1.00 31.06 C +ATOM 780 O LYS A1570 36.626 5.428 10.808 1.00 33.56 O +ATOM 781 CB LYS A1570 38.373 4.978 13.909 1.00 30.93 C Added: SwiftApps/modFTdock/input/indata/3isu-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3isu-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3isu-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,821 @@ +ATOM 1 N TYR A1525 24.438 -7.478 -16.271 1.00 54.37 N +ATOM 2 CA TYR A1525 24.688 -8.427 -17.408 1.00 54.12 C +ATOM 3 C TYR A1525 24.166 -9.837 -17.038 1.00 54.22 C +ATOM 4 O TYR A1525 23.451 -10.458 -17.830 1.00 54.13 O +ATOM 5 CB TYR A1525 26.182 -8.424 -17.749 1.00 53.70 C +ATOM 6 CG TYR A1525 26.670 -9.493 -18.715 1.00 52.76 C +ATOM 7 CD1 TYR A1525 26.520 -9.352 -20.100 1.00 50.72 C +ATOM 8 CD2 TYR A1525 27.325 -10.632 -18.231 1.00 50.06 C +ATOM 9 CE1 TYR A1525 27.008 -10.338 -20.983 1.00 51.61 C +ATOM 10 CE2 TYR A1525 27.794 -11.619 -19.082 1.00 50.76 C +ATOM 11 CZ TYR A1525 27.636 -11.476 -20.463 1.00 50.44 C +ATOM 12 OH TYR A1525 28.110 -12.484 -21.277 1.00 48.42 O +ATOM 13 N PHE A1526 24.519 -10.314 -15.839 1.00 54.22 N +ATOM 14 CA PHE A1526 23.965 -11.569 -15.291 1.00 54.52 C +ATOM 15 C PHE A1526 22.514 -11.371 -14.812 1.00 55.05 C +ATOM 16 O PHE A1526 22.195 -10.311 -14.267 1.00 54.89 O +ATOM 17 CB PHE A1526 24.825 -12.089 -14.135 1.00 54.01 C +ATOM 18 CG PHE A1526 26.263 -12.332 -14.518 1.00 54.98 C +ATOM 19 CD1 PHE A1526 26.600 -13.357 -15.406 1.00 53.18 C +ATOM 20 CD2 PHE A1526 27.279 -11.520 -14.016 1.00 54.91 C +ATOM 21 CE1 PHE A1526 27.915 -13.568 -15.771 1.00 53.89 C +ATOM 22 CE2 PHE A1526 28.606 -11.742 -14.384 1.00 53.77 C +ATOM 23 CZ PHE A1526 28.913 -12.761 -15.251 1.00 52.54 C +ATOM 24 N GLN A1527 21.664 -12.392 -15.023 1.00 55.50 N +ATOM 25 CA GLN A1527 20.231 -12.360 -14.657 1.00 56.22 C +ATOM 26 C GLN A1527 19.806 -13.663 -13.979 1.00 56.61 C +ATOM 27 O GLN A1527 18.765 -13.720 -13.303 1.00 57.69 O +ATOM 28 CB GLN A1527 19.364 -12.133 -15.903 1.00 56.59 C +ATOM 29 N GLN A1532 18.706 -8.324 -4.225 1.00 56.76 N +ATOM 30 CA GLN A1532 19.724 -7.331 -4.581 1.00 56.43 C +ATOM 31 C GLN A1532 19.336 -5.935 -4.033 1.00 55.85 C +ATOM 32 O GLN A1532 19.069 -5.012 -4.811 1.00 55.85 O +ATOM 33 CB GLN A1532 19.888 -7.290 -6.108 1.00 56.40 C +ATOM 34 N PRO A1533 19.356 -5.766 -2.696 1.00 54.67 N +ATOM 35 CA PRO A1533 18.591 -4.705 -2.047 1.00 53.73 C +ATOM 36 C PRO A1533 19.165 -3.302 -2.305 1.00 51.99 C +ATOM 37 O PRO A1533 20.387 -3.121 -2.306 1.00 51.60 O +ATOM 38 CB PRO A1533 18.706 -5.061 -0.563 1.00 53.89 C +ATOM 39 CG PRO A1533 20.047 -5.741 -0.442 1.00 54.96 C +ATOM 40 CD PRO A1533 20.461 -6.221 -1.831 1.00 55.11 C +ATOM 41 N SER A1534 18.278 -2.335 -2.525 1.00 50.25 N +ATOM 42 CA SER A1534 18.686 -0.949 -2.751 1.00 48.83 C +ATOM 43 C SER A1534 17.648 0.067 -2.266 1.00 46.81 C +ATOM 44 O SER A1534 16.529 -0.277 -1.872 1.00 47.02 O +ATOM 45 CB SER A1534 19.010 -0.707 -4.227 1.00 49.02 C +ATOM 46 OG SER A1534 17.828 -0.592 -4.995 1.00 50.75 O +ATOM 47 N LEU A1535 18.078 1.326 -2.256 1.00 42.95 N +ATOM 48 CA LEU A1535 17.231 2.450 -1.963 1.00 40.15 C +ATOM 49 C LEU A1535 17.442 3.446 -3.101 1.00 37.21 C +ATOM 50 O LEU A1535 18.571 3.750 -3.454 1.00 33.72 O +ATOM 51 CB LEU A1535 17.625 3.102 -0.657 1.00 40.41 C +ATOM 52 CG LEU A1535 17.425 2.275 0.616 1.00 44.01 C +ATOM 53 CD1 LEU A1535 17.830 3.142 1.828 1.00 46.06 C +ATOM 54 CD2 LEU A1535 15.968 1.760 0.693 1.00 47.46 C +ATOM 55 N HIS A1536 16.336 3.880 -3.673 1.00 34.00 N +ATOM 56 CA HIS A1536 16.307 4.870 -4.716 1.00 32.82 C +ATOM 57 C HIS A1536 15.356 5.970 -4.251 1.00 29.76 C +ATOM 58 O HIS A1536 14.144 5.737 -4.104 1.00 28.72 O +ATOM 59 CB HIS A1536 15.833 4.180 -6.000 1.00 33.79 C +ATOM 60 CG HIS A1536 15.628 5.094 -7.163 1.00 37.55 C +ATOM 61 ND1 HIS A1536 16.604 5.328 -8.108 1.00 40.78 N +ATOM 62 CD2 HIS A1536 14.535 5.786 -7.575 1.00 43.54 C +ATOM 63 CE1 HIS A1536 16.133 6.141 -9.037 1.00 43.65 C +ATOM 64 NE2 HIS A1536 14.883 6.446 -8.731 1.00 44.27 N +ATOM 65 N TYR A1537 15.879 7.170 -3.976 1.00 26.30 N +ATOM 66 CA TYR A1537 15.048 8.273 -3.479 1.00 24.32 C +ATOM 67 C TYR A1537 15.458 9.576 -4.115 1.00 24.67 C +ATOM 68 O TYR A1537 16.653 9.833 -4.284 1.00 25.49 O +ATOM 69 CB TYR A1537 15.191 8.458 -1.960 1.00 26.03 C +ATOM 70 CG TYR A1537 14.524 7.360 -1.141 1.00 27.14 C +ATOM 71 CD1 TYR A1537 13.146 7.222 -1.172 1.00 32.65 C +ATOM 72 CD2 TYR A1537 15.256 6.472 -0.371 1.00 34.23 C +ATOM 73 CE1 TYR A1537 12.483 6.215 -0.439 1.00 37.65 C +ATOM 74 CE2 TYR A1537 14.592 5.451 0.397 1.00 34.73 C +ATOM 75 CZ TYR A1537 13.210 5.350 0.360 1.00 38.58 C +ATOM 76 OH TYR A1537 12.507 4.360 1.084 1.00 42.41 O +ATOM 77 N THR A1538 14.488 10.439 -4.377 1.00 23.20 N +ATOM 78 CA THR A1538 14.828 11.793 -4.793 1.00 22.35 C +ATOM 79 C THR A1538 15.177 12.591 -3.544 1.00 21.42 C +ATOM 80 O THR A1538 14.816 12.218 -2.428 1.00 21.08 O +ATOM 81 CB THR A1538 13.658 12.483 -5.533 1.00 20.92 C +ATOM 82 OG1 THR A1538 12.607 12.780 -4.600 1.00 20.58 O +ATOM 83 CG2 THR A1538 13.128 11.604 -6.711 1.00 24.19 C +ATOM 84 N ALA A1539 15.849 13.725 -3.739 1.00 21.21 N +ATOM 85 CA ALA A1539 16.068 14.675 -2.682 1.00 20.30 C +ATOM 86 C ALA A1539 14.774 15.097 -2.019 1.00 20.79 C +ATOM 87 O ALA A1539 14.718 15.332 -0.836 1.00 19.03 O +ATOM 88 CB ALA A1539 16.842 15.930 -3.243 1.00 20.42 C +ATOM 89 N ALA A1540 13.690 15.209 -2.794 1.00 20.69 N +ATOM 90 CA ALA A1540 12.447 15.641 -2.244 1.00 20.70 C +ATOM 91 C ALA A1540 11.898 14.570 -1.311 1.00 20.27 C +ATOM 92 O ALA A1540 11.308 14.890 -0.279 1.00 21.76 O +ATOM 93 CB ALA A1540 11.445 15.967 -3.367 1.00 21.52 C +ATOM 94 N GLN A1541 12.044 13.314 -1.691 1.00 20.57 N +ATOM 95 CA GLN A1541 11.611 12.213 -0.812 1.00 20.97 C +ATOM 96 C GLN A1541 12.439 12.177 0.462 1.00 20.15 C +ATOM 97 O GLN A1541 11.909 12.009 1.560 1.00 21.17 O +ATOM 98 CB GLN A1541 11.703 10.888 -1.543 1.00 21.61 C +ATOM 99 CG GLN A1541 10.660 10.739 -2.653 1.00 23.71 C +ATOM 100 CD GLN A1541 10.883 9.502 -3.455 1.00 27.60 C +ATOM 101 OE1 GLN A1541 11.958 9.259 -3.979 1.00 22.81 O +ATOM 102 NE2 GLN A1541 9.839 8.652 -3.527 1.00 35.36 N +ATOM 103 N LEU A1542 13.738 12.369 0.330 1.00 20.26 N +ATOM 104 CA LEU A1542 14.602 12.414 1.530 1.00 21.15 C +ATOM 105 C LEU A1542 14.307 13.615 2.451 1.00 21.67 C +ATOM 106 O LEU A1542 14.355 13.530 3.687 1.00 20.57 O +ATOM 107 CB LEU A1542 16.043 12.391 1.096 1.00 19.83 C +ATOM 108 CG LEU A1542 16.546 11.121 0.443 1.00 23.64 C +ATOM 109 CD1 LEU A1542 18.038 11.312 0.317 1.00 21.89 C +ATOM 110 CD2 LEU A1542 16.223 9.900 1.253 1.00 23.29 C +ATOM 111 N LEU A1543 13.901 14.727 1.858 1.00 21.46 N +ATOM 112 CA LEU A1543 13.453 15.878 2.673 1.00 22.71 C +ATOM 113 C LEU A1543 12.227 15.555 3.459 1.00 22.57 C +ATOM 114 O LEU A1543 12.122 15.835 4.645 1.00 21.41 O +ATOM 115 CB LEU A1543 13.203 17.109 1.771 1.00 21.83 C +ATOM 116 CG LEU A1543 12.790 18.374 2.509 1.00 24.11 C +ATOM 117 CD1 LEU A1543 14.056 18.950 3.236 1.00 24.74 C +ATOM 118 CD2 LEU A1543 12.168 19.427 1.566 1.00 25.37 C +ATOM 119 N GLU A1544 11.270 14.922 2.788 1.00 23.85 N +ATOM 120 CA GLU A1544 10.026 14.608 3.403 1.00 24.75 C +ATOM 121 C GLU A1544 10.252 13.655 4.558 1.00 24.94 C +ATOM 122 O GLU A1544 9.529 13.706 5.550 1.00 23.82 O +ATOM 123 CB GLU A1544 9.065 14.038 2.353 1.00 26.26 C +ATOM 124 CG GLU A1544 7.624 13.979 2.771 1.00 29.14 C +ATOM 125 CD GLU A1544 7.323 12.749 3.603 1.00 32.86 C +ATOM 126 OE1 GLU A1544 8.021 11.729 3.396 1.00 34.07 O +ATOM 127 OE2 GLU A1544 6.436 12.836 4.480 1.00 35.07 O +ATOM 128 N LYS A1545 11.269 12.801 4.436 1.00 23.75 N +ATOM 129 CA LYS A1545 11.596 11.840 5.488 1.00 25.19 C +ATOM 130 C LYS A1545 12.441 12.460 6.611 1.00 24.62 C +ATOM 131 O LYS A1545 12.623 11.862 7.663 1.00 26.12 O +ATOM 132 CB LYS A1545 12.320 10.632 4.872 1.00 25.91 C +ATOM 133 CG LYS A1545 11.403 9.773 3.993 1.00 29.94 C +ATOM 134 CD LYS A1545 12.198 8.696 3.249 1.00 35.53 C +ATOM 135 CE LYS A1545 11.287 7.963 2.257 1.00 38.74 C +ATOM 136 NZ LYS A1545 10.210 7.181 2.911 1.00 41.53 N +ATOM 137 N GLY A1546 12.952 13.657 6.405 1.00 23.76 N +ATOM 138 CA GLY A1546 13.781 14.297 7.407 1.00 23.74 C +ATOM 139 C GLY A1546 15.242 13.901 7.313 1.00 22.39 C +ATOM 140 O GLY A1546 16.055 14.419 8.077 1.00 22.74 O +ATOM 141 N VAL A1547 15.572 13.052 6.342 1.00 21.27 N +ATOM 142 CA VAL A1547 16.955 12.651 6.054 1.00 21.88 C +ATOM 143 C VAL A1547 17.752 13.760 5.407 1.00 22.36 C +ATOM 144 O VAL A1547 18.890 13.994 5.787 1.00 22.20 O +ATOM 145 CB VAL A1547 17.006 11.351 5.175 1.00 22.47 C +ATOM 146 CG1 VAL A1547 18.440 10.985 4.784 1.00 21.70 C +ATOM 147 CG2 VAL A1547 16.338 10.168 5.896 1.00 22.57 C +ATOM 148 N LEU A1548 17.171 14.478 4.437 1.00 21.32 N +ATOM 149 CA LEU A1548 17.850 15.601 3.810 1.00 22.16 C +ATOM 150 C LEU A1548 17.459 16.866 4.522 1.00 23.00 C +ATOM 151 O LEU A1548 16.287 17.030 4.853 1.00 24.64 O +ATOM 152 CB LEU A1548 17.473 15.728 2.333 1.00 23.00 C +ATOM 153 CG LEU A1548 18.206 16.805 1.544 1.00 23.61 C +ATOM 154 CD1 LEU A1548 19.704 16.600 1.482 1.00 24.90 C +ATOM 155 CD2 LEU A1548 17.629 16.877 0.101 1.00 28.02 C +ATOM 156 N VAL A1549 18.443 17.726 4.787 1.00 22.86 N +ATOM 157 CA VAL A1549 18.241 18.998 5.504 1.00 24.83 C +ATOM 158 C VAL A1549 18.244 20.161 4.531 1.00 25.24 C +ATOM 159 O VAL A1549 17.341 21.036 4.583 1.00 25.46 O +ATOM 160 CB VAL A1549 19.356 19.195 6.575 1.00 25.80 C +ATOM 161 CG1 VAL A1549 19.319 20.614 7.159 1.00 28.16 C +ATOM 162 CG2 VAL A1549 19.171 18.150 7.656 1.00 28.03 C +ATOM 163 N GLU A1550 19.229 20.167 3.651 1.00 25.60 N +ATOM 164 CA GLU A1550 19.419 21.218 2.652 1.00 27.91 C +ATOM 165 C GLU A1550 20.350 20.789 1.554 1.00 26.82 C +ATOM 166 O GLU A1550 21.173 19.863 1.719 1.00 26.29 O +ATOM 167 CB GLU A1550 19.967 22.516 3.278 1.00 29.89 C +ATOM 168 CG GLU A1550 21.420 22.496 3.620 1.00 35.60 C +ATOM 169 CD GLU A1550 21.979 23.892 4.083 1.00 42.05 C +ATOM 170 OE1 GLU A1550 21.238 24.626 4.762 1.00 44.80 O +ATOM 171 OE2 GLU A1550 23.158 24.229 3.764 1.00 43.40 O +ATOM 172 N ILE A1551 20.252 21.467 0.409 1.00 25.59 N +ATOM 173 CA ILE A1551 21.264 21.369 -0.614 1.00 26.39 C +ATOM 174 C ILE A1551 21.650 22.808 -0.912 1.00 29.10 C +ATOM 175 O ILE A1551 20.855 23.603 -1.443 1.00 27.92 O +ATOM 176 CB ILE A1551 20.831 20.637 -1.912 1.00 25.73 C +ATOM 177 CG1 ILE A1551 20.337 19.198 -1.612 1.00 25.94 C +ATOM 178 CG2 ILE A1551 21.986 20.605 -2.857 1.00 26.70 C +ATOM 179 CD1 ILE A1551 19.826 18.414 -2.840 1.00 22.99 C +ATOM 180 N GLU A1552 22.860 23.168 -0.516 1.00 31.15 N +ATOM 181 CA GLU A1552 23.297 24.545 -0.658 1.00 33.80 C +ATOM 182 C GLU A1552 23.241 24.974 -2.132 1.00 33.21 C +ATOM 183 O GLU A1552 23.646 24.224 -3.001 1.00 32.75 O +ATOM 184 CB GLU A1552 24.721 24.687 -0.096 1.00 35.32 C +ATOM 185 CG GLU A1552 24.970 26.033 0.474 1.00 39.75 C +ATOM 186 CD GLU A1552 26.453 26.283 0.749 1.00 45.97 C +ATOM 187 OE1 GLU A1552 27.297 25.336 0.601 1.00 46.13 O +ATOM 188 OE2 GLU A1552 26.749 27.454 1.085 1.00 50.67 O +ATOM 189 N ASP A1553 22.701 26.163 -2.392 1.00 34.30 N +ATOM 190 CA ASP A1553 22.586 26.724 -3.756 1.00 35.36 C +ATOM 191 C ASP A1553 21.659 25.929 -4.682 1.00 35.00 C +ATOM 192 O ASP A1553 21.799 26.021 -5.902 1.00 35.85 O +ATOM 193 CB ASP A1553 23.951 26.829 -4.455 1.00 36.06 C +ATOM 194 CG ASP A1553 24.939 27.694 -3.688 1.00 40.35 C +ATOM 195 OD1 ASP A1553 24.523 28.765 -3.207 1.00 44.58 O +ATOM 196 OD2 ASP A1553 26.107 27.263 -3.536 1.00 45.74 O +ATOM 197 N LEU A1554 20.750 25.117 -4.130 1.00 32.88 N +ATOM 198 CA LEU A1554 19.763 24.462 -4.984 1.00 31.90 C +ATOM 199 C LEU A1554 18.411 24.769 -4.383 1.00 32.40 C +ATOM 200 O LEU A1554 18.131 24.366 -3.254 1.00 32.31 O +ATOM 201 CB LEU A1554 19.952 22.941 -5.074 1.00 31.38 C +ATOM 202 CG LEU A1554 19.157 22.238 -6.189 1.00 30.71 C +ATOM 203 CD1 LEU A1554 19.553 22.681 -7.592 1.00 30.05 C +ATOM 204 CD2 LEU A1554 19.312 20.731 -6.072 1.00 29.11 C +ATOM 205 N PRO A1555 17.570 25.476 -5.141 1.00 32.61 N +ATOM 206 CA PRO A1555 16.202 25.698 -4.702 1.00 32.23 C +ATOM 207 C PRO A1555 15.446 24.356 -4.493 1.00 30.46 C +ATOM 208 O PRO A1555 15.646 23.410 -5.223 1.00 29.42 O +ATOM 209 CB PRO A1555 15.593 26.507 -5.862 1.00 32.84 C +ATOM 210 CG PRO A1555 16.849 27.238 -6.496 1.00 34.98 C +ATOM 211 CD PRO A1555 17.848 26.104 -6.449 1.00 32.94 C +ATOM 212 N ALA A1556 14.618 24.321 -3.465 1.00 29.65 N +ATOM 213 CA ALA A1556 13.747 23.196 -3.147 1.00 29.89 C +ATOM 214 C ALA A1556 12.998 22.627 -4.350 1.00 28.79 C +ATOM 215 O ALA A1556 12.814 21.419 -4.469 1.00 26.41 O +ATOM 216 CB ALA A1556 12.733 23.640 -2.035 1.00 29.92 C +ATOM 217 N SER A1557 12.598 23.498 -5.284 1.00 28.51 N +ATOM 218 CA SER A1557 11.818 23.098 -6.443 1.00 28.53 C +ATOM 219 C SER A1557 12.555 22.142 -7.365 1.00 27.96 C +ATOM 220 O SER A1557 11.969 21.453 -8.166 1.00 27.59 O +ATOM 221 CB SER A1557 11.430 24.351 -7.246 1.00 30.37 C +ATOM 222 OG SER A1557 12.613 24.912 -7.825 1.00 31.27 O +ATOM 223 N HIS A1558 13.870 22.071 -7.226 1.00 26.86 N +ATOM 224 CA HIS A1558 14.657 21.168 -8.007 1.00 27.43 C +ATOM 225 C HIS A1558 14.941 19.827 -7.310 1.00 26.05 C +ATOM 226 O HIS A1558 15.595 18.969 -7.885 1.00 26.04 O +ATOM 227 CB HIS A1558 15.984 21.859 -8.334 1.00 29.22 C +ATOM 228 CG HIS A1558 15.827 23.012 -9.277 1.00 34.87 C +ATOM 229 ND1 HIS A1558 15.690 22.838 -10.636 1.00 40.05 N +ATOM 230 CD2 HIS A1558 15.769 24.351 -9.057 1.00 42.53 C +ATOM 231 CE1 HIS A1558 15.547 24.021 -11.219 1.00 42.84 C +ATOM 232 NE2 HIS A1558 15.596 24.957 -10.284 1.00 43.39 N +ATOM 233 N PHE A1559 14.476 19.664 -6.092 1.00 27.15 N +ATOM 234 CA PHE A1559 14.821 18.455 -5.297 1.00 26.85 C +ATOM 235 C PHE A1559 14.266 17.184 -5.932 1.00 27.58 C +ATOM 236 O PHE A1559 14.855 16.121 -5.781 1.00 27.36 O +ATOM 237 CB PHE A1559 14.317 18.574 -3.857 1.00 25.92 C +ATOM 238 CG PHE A1559 15.156 19.483 -2.959 1.00 25.47 C +ATOM 239 CD1 PHE A1559 16.091 20.377 -3.496 1.00 27.95 C +ATOM 240 CD2 PHE A1559 14.946 19.495 -1.608 1.00 27.93 C +ATOM 241 CE1 PHE A1559 16.835 21.210 -2.674 1.00 27.32 C +ATOM 242 CE2 PHE A1559 15.698 20.321 -0.776 1.00 29.37 C +ATOM 243 CZ PHE A1559 16.645 21.194 -1.356 1.00 28.85 C +ATOM 244 N ARG A1560 13.140 17.288 -6.646 1.00 27.59 N +ATOM 245 CA AARG A1560 12.603 16.147 -7.396 0.50 28.10 C +ATOM 246 CA BARG A1560 12.600 16.156 -7.396 0.50 28.33 C +ATOM 247 C ARG A1560 13.584 15.642 -8.448 1.00 28.50 C +ATOM 248 O ARG A1560 13.534 14.498 -8.841 1.00 28.77 O +ATOM 249 CB AARG A1560 11.248 16.480 -8.059 0.50 28.89 C +ATOM 250 CB BARG A1560 11.256 16.532 -8.053 0.50 29.31 C +ATOM 251 CG AARG A1560 10.066 16.645 -7.083 0.50 29.68 C +ATOM 252 CG BARG A1560 10.162 16.997 -7.066 0.50 31.06 C +ATOM 253 CD AARG A1560 8.740 16.972 -7.820 0.50 30.47 C +ATOM 254 CD BARG A1560 9.138 17.953 -7.750 0.50 33.90 C +ATOM 255 NE AARG A1560 7.977 15.764 -8.019 0.50 34.08 N +ATOM 256 NE BARG A1560 8.830 19.178 -6.988 0.50 34.08 N +ATOM 257 CZ AARG A1560 7.109 15.557 -9.002 0.50 35.09 C +ATOM 258 CZ BARG A1560 8.820 20.399 -7.525 0.50 38.40 C +ATOM 259 NH1AARG A1560 6.884 16.496 -9.915 0.50 34.12 N +ATOM 260 NH1BARG A1560 8.502 21.475 -6.789 0.50 37.58 N +ATOM 261 NH2AARG A1560 6.473 14.398 -9.055 0.50 35.22 N +ATOM 262 NH2BARG A1560 9.122 20.550 -8.821 0.50 37.96 N +ATOM 263 N ASN A1561 14.501 16.492 -8.890 1.00 27.73 N +ATOM 264 CA ASN A1561 15.417 16.134 -9.949 1.00 28.93 C +ATOM 265 C ASN A1561 16.819 15.883 -9.421 1.00 28.12 C +ATOM 266 O ASN A1561 17.800 16.004 -10.153 1.00 28.65 O +ATOM 267 CB ASN A1561 15.462 17.276 -10.983 1.00 29.45 C +ATOM 268 CG ASN A1561 14.098 17.553 -11.584 1.00 35.61 C +ATOM 269 OD1 ASN A1561 13.563 18.672 -11.467 1.00 43.99 O +ATOM 270 ND2 ASN A1561 13.512 16.532 -12.212 1.00 36.75 N +ATOM 271 N VAL A1562 16.920 15.506 -8.150 1.00 25.42 N +ATOM 272 CA VAL A1562 18.193 15.044 -7.610 1.00 24.69 C +ATOM 273 C VAL A1562 17.864 13.638 -7.130 1.00 24.54 C +ATOM 274 O VAL A1562 16.935 13.480 -6.342 1.00 22.99 O +ATOM 275 CB VAL A1562 18.647 15.906 -6.420 1.00 23.00 C +ATOM 276 CG1 VAL A1562 19.828 15.280 -5.689 1.00 23.07 C +ATOM 277 CG2 VAL A1562 19.003 17.319 -6.877 1.00 25.77 C +ATOM 278 N ILE A1563 18.607 12.646 -7.579 1.00 24.83 N +ATOM 279 CA ILE A1563 18.272 11.259 -7.296 1.00 26.73 C +ATOM 280 C ILE A1563 19.442 10.572 -6.627 1.00 26.81 C +ATOM 281 O ILE A1563 20.601 10.661 -7.114 1.00 25.99 O +ATOM 282 CB ILE A1563 17.874 10.504 -8.597 1.00 28.55 C +ATOM 283 CG1 ILE A1563 16.598 11.121 -9.182 1.00 32.76 C +ATOM 284 CG2 ILE A1563 17.664 9.008 -8.326 1.00 31.01 C +ATOM 285 CD1 ILE A1563 16.870 12.124 -10.306 1.00 39.01 C +ATOM 286 N PHE A1564 19.147 9.924 -5.485 1.00 26.79 N +ATOM 287 CA PHE A1564 20.123 9.114 -4.742 1.00 26.51 C +ATOM 288 C PHE A1564 19.838 7.635 -4.856 1.00 27.31 C +ATOM 289 O PHE A1564 18.672 7.242 -4.759 1.00 28.42 O +ATOM 290 CB PHE A1564 20.057 9.486 -3.271 1.00 27.43 C +ATOM 291 CG PHE A1564 20.446 10.888 -3.008 1.00 26.96 C +ATOM 292 CD1 PHE A1564 21.799 11.225 -2.904 1.00 30.61 C +ATOM 293 CD2 PHE A1564 19.489 11.871 -2.884 1.00 27.87 C +ATOM 294 CE1 PHE A1564 22.177 12.517 -2.656 1.00 27.47 C +ATOM 295 CE2 PHE A1564 19.858 13.183 -2.663 1.00 27.70 C +ATOM 296 CZ PHE A1564 21.210 13.506 -2.576 1.00 27.36 C +ATOM 297 N ASP A1565 20.872 6.821 -5.060 1.00 26.95 N +ATOM 298 CA ASP A1565 20.739 5.377 -5.064 1.00 28.46 C +ATOM 299 C ASP A1565 21.773 4.844 -4.099 1.00 27.83 C +ATOM 300 O ASP A1565 22.965 5.117 -4.280 1.00 28.12 O +ATOM 301 CB ASP A1565 21.026 4.775 -6.435 1.00 29.18 C +ATOM 302 CG ASP A1565 19.875 5.007 -7.432 1.00 35.70 C +ATOM 303 OD1 ASP A1565 18.804 4.344 -7.296 1.00 38.07 O +ATOM 304 OD2 ASP A1565 20.053 5.857 -8.342 1.00 39.71 O +ATOM 305 N ILE A1566 21.319 4.061 -3.127 1.00 26.50 N +ATOM 306 CA ILE A1566 22.177 3.536 -2.073 1.00 26.16 C +ATOM 307 C ILE A1566 22.117 2.015 -2.107 1.00 25.52 C +ATOM 308 O ILE A1566 21.037 1.442 -2.149 1.00 25.38 O +ATOM 309 CB ILE A1566 21.765 4.051 -0.674 1.00 26.73 C +ATOM 310 CG1 ILE A1566 21.694 5.569 -0.663 1.00 28.63 C +ATOM 311 CG2 ILE A1566 22.782 3.619 0.380 1.00 24.67 C +ATOM 312 CD1 ILE A1566 21.730 6.181 0.788 1.00 35.87 C +ATOM 313 N THR A1567 23.277 1.394 -2.157 1.00 26.32 N +ATOM 314 CA THR A1567 23.389 -0.059 -2.203 1.00 27.49 C +ATOM 315 C THR A1567 24.429 -0.504 -1.200 1.00 26.80 C +ATOM 316 O THR A1567 25.323 0.253 -0.862 1.00 25.77 O +ATOM 317 CB THR A1567 23.816 -0.533 -3.620 1.00 27.99 C +ATOM 318 OG1 THR A1567 24.956 0.232 -4.017 1.00 29.27 O +ATOM 319 CG2 THR A1567 22.701 -0.317 -4.631 1.00 29.00 C +ATOM 320 N PRO A1568 24.338 -1.768 -0.729 1.00 28.87 N +ATOM 321 CA PRO A1568 25.362 -2.267 0.171 1.00 28.58 C +ATOM 322 C PRO A1568 26.686 -2.373 -0.543 1.00 28.92 C +ATOM 323 O PRO A1568 26.730 -2.724 -1.750 1.00 28.94 O +ATOM 324 CB PRO A1568 24.822 -3.675 0.589 1.00 29.49 C +ATOM 325 CG PRO A1568 23.399 -3.668 0.178 1.00 30.78 C +ATOM 326 CD PRO A1568 23.359 -2.823 -1.058 1.00 28.08 C +ATOM 327 N GLY A1569 27.753 -2.034 0.165 1.00 29.04 N +ATOM 328 CA GLY A1569 29.092 -2.025 -0.374 1.00 30.17 C +ATOM 329 C GLY A1569 29.761 -3.367 -0.158 1.00 31.04 C +ATOM 330 O GLY A1569 29.112 -4.346 0.241 1.00 29.88 O +ATOM 331 N ASP A1570 31.081 -3.340 -0.270 1.00 32.17 N +ATOM 332 CA ASP A1570 31.878 -4.543 -0.320 1.00 34.10 C +ATOM 333 C ASP A1570 32.553 -4.870 1.029 1.00 33.44 C +ATOM 334 O ASP A1570 33.505 -5.626 1.087 1.00 33.08 O +ATOM 335 CB ASP A1570 32.890 -4.400 -1.487 1.00 35.64 C +ATOM 336 CG ASP A1570 34.019 -3.439 -1.205 1.00 38.95 C +ATOM 337 OD1 ASP A1570 34.031 -2.689 -0.203 1.00 46.67 O +ATOM 338 OD2 ASP A1570 34.970 -3.444 -2.026 1.00 49.85 O +ATOM 339 N GLU A1571 32.013 -4.304 2.111 1.00 31.43 N +ATOM 340 CA GLU A1571 32.473 -4.534 3.462 1.00 30.25 C +ATOM 341 C GLU A1571 31.258 -4.365 4.368 1.00 27.83 C +ATOM 342 O GLU A1571 30.291 -3.704 3.994 1.00 24.61 O +ATOM 343 CB GLU A1571 33.499 -3.498 3.909 1.00 31.00 C +ATOM 344 CG GLU A1571 34.829 -3.498 3.158 1.00 37.29 C +ATOM 345 CD GLU A1571 35.797 -2.455 3.678 1.00 42.25 C +ATOM 346 OE1 GLU A1571 35.376 -1.452 4.324 1.00 48.00 O +ATOM 347 OE2 GLU A1571 37.010 -2.654 3.451 1.00 49.51 O +ATOM 348 N ALA A1572 31.347 -4.963 5.556 1.00 25.62 N +ATOM 349 CA ALA A1572 30.328 -4.818 6.590 1.00 24.52 C +ATOM 350 C ALA A1572 30.135 -3.356 6.914 1.00 23.42 C +ATOM 351 O ALA A1572 31.124 -2.645 7.188 1.00 22.74 O +ATOM 352 CB ALA A1572 30.798 -5.571 7.911 1.00 23.76 C +ATOM 353 N GLY A1573 28.886 -2.900 6.943 1.00 22.14 N +ATOM 354 CA GLY A1573 28.595 -1.530 7.362 1.00 22.41 C +ATOM 355 C GLY A1573 28.860 -0.480 6.264 1.00 23.09 C +ATOM 356 O GLY A1573 28.658 0.699 6.495 1.00 23.68 O +ATOM 357 N LYS A1574 29.266 -0.920 5.078 1.00 21.90 N +ATOM 358 CA LYS A1574 29.646 0.019 3.999 1.00 22.64 C +ATOM 359 C LYS A1574 28.501 0.104 3.011 1.00 22.63 C +ATOM 360 O LYS A1574 27.912 -0.910 2.645 1.00 22.94 O +ATOM 361 CB LYS A1574 30.907 -0.443 3.294 1.00 23.61 C +ATOM 362 CG LYS A1574 31.421 0.484 2.188 1.00 27.21 C +ATOM 363 CD LYS A1574 32.793 -0.061 1.767 1.00 31.40 C +ATOM 364 CE LYS A1574 33.570 0.853 0.853 1.00 35.59 C +ATOM 365 NZ LYS A1574 34.824 0.124 0.458 1.00 36.69 N +ATOM 366 N PHE A1575 28.178 1.322 2.588 1.00 22.61 N +ATOM 367 CA PHE A1575 27.129 1.559 1.603 1.00 23.71 C +ATOM 368 C PHE A1575 27.674 2.467 0.522 1.00 26.38 C +ATOM 369 O PHE A1575 28.451 3.383 0.814 1.00 27.90 O +ATOM 370 CB PHE A1575 25.933 2.230 2.224 1.00 23.42 C +ATOM 371 CG PHE A1575 25.334 1.430 3.317 1.00 24.89 C +ATOM 372 CD1 PHE A1575 24.339 0.520 3.059 1.00 27.97 C +ATOM 373 CD2 PHE A1575 25.810 1.551 4.600 1.00 25.59 C +ATOM 374 CE1 PHE A1575 23.782 -0.239 4.088 1.00 32.68 C +ATOM 375 CE2 PHE A1575 25.245 0.782 5.646 1.00 24.83 C +ATOM 376 CZ PHE A1575 24.257 -0.109 5.386 1.00 30.19 C +ATOM 377 N GLU A1576 27.326 2.140 -0.714 1.00 26.84 N +ATOM 378 CA GLU A1576 27.787 2.893 -1.853 1.00 28.07 C +ATOM 379 C GLU A1576 26.652 3.828 -2.210 1.00 26.54 C +ATOM 380 O GLU A1576 25.512 3.392 -2.350 1.00 24.74 O +ATOM 381 CB GLU A1576 28.110 1.922 -2.980 1.00 28.63 C +ATOM 382 CG GLU A1576 28.704 2.575 -4.182 1.00 37.02 C +ATOM 383 CD GLU A1576 29.335 1.529 -5.100 1.00 43.74 C +ATOM 384 OE1 GLU A1576 30.482 1.116 -4.805 1.00 48.64 O +ATOM 385 OE2 GLU A1576 28.656 1.101 -6.068 1.00 50.41 O +ATOM 386 N VAL A1577 26.954 5.123 -2.267 1.00 27.00 N +ATOM 387 CA VAL A1577 25.963 6.135 -2.598 1.00 26.87 C +ATOM 388 C VAL A1577 26.306 6.672 -3.977 1.00 27.35 C +ATOM 389 O VAL A1577 27.420 7.121 -4.220 1.00 26.45 O +ATOM 390 CB VAL A1577 25.931 7.300 -1.597 1.00 27.72 C +ATOM 391 CG1 VAL A1577 24.773 8.245 -1.908 1.00 27.36 C +ATOM 392 CG2 VAL A1577 25.779 6.770 -0.173 1.00 29.61 C +ATOM 393 N ASN A1578 25.345 6.567 -4.872 1.00 26.64 N +ATOM 394 CA ASN A1578 25.434 7.135 -6.186 1.00 27.38 C +ATOM 395 C ASN A1578 24.384 8.221 -6.187 1.00 27.55 C +ATOM 396 O ASN A1578 23.427 8.206 -5.356 1.00 27.69 O +ATOM 397 CB ASN A1578 25.145 6.052 -7.229 1.00 27.79 C +ATOM 398 CG ASN A1578 26.342 5.224 -7.518 1.00 31.91 C +ATOM 399 OD1 ASN A1578 27.283 5.701 -8.163 1.00 33.78 O +ATOM 400 ND2 ASN A1578 26.349 3.979 -7.044 1.00 32.37 N +ATOM 401 N ALA A1579 24.570 9.213 -7.058 1.00 25.78 N +ATOM 402 CA ALA A1579 23.618 10.274 -7.175 1.00 25.16 C +ATOM 403 C ALA A1579 23.680 10.879 -8.572 1.00 26.28 C +ATOM 404 O ALA A1579 24.729 10.790 -9.261 1.00 25.05 O +ATOM 405 CB ALA A1579 23.838 11.348 -6.141 1.00 24.25 C +ATOM 406 N LYS A1580 22.562 11.484 -8.958 1.00 26.24 N +ATOM 407 CA LYS A1580 22.466 12.204 -10.241 1.00 26.90 C +ATOM 408 C LYS A1580 21.804 13.500 -9.888 1.00 26.64 C +ATOM 409 O LYS A1580 20.689 13.494 -9.360 1.00 27.99 O +ATOM 410 CB LYS A1580 21.666 11.375 -11.262 1.00 26.75 C +ATOM 411 CG LYS A1580 21.673 11.957 -12.686 1.00 31.42 C +ATOM 412 N PHE A1581 22.524 14.617 -10.014 1.00 26.77 N +ATOM 413 CA PHE A1581 22.001 15.911 -9.657 1.00 26.85 C +ATOM 414 C PHE A1581 21.606 16.622 -10.981 1.00 29.50 C +ATOM 415 O PHE A1581 22.468 16.947 -11.780 1.00 27.01 O +ATOM 416 CB PHE A1581 23.054 16.780 -8.964 1.00 27.79 C +ATOM 417 CG PHE A1581 23.206 16.544 -7.489 1.00 26.52 C +ATOM 418 CD1 PHE A1581 23.019 17.578 -6.585 1.00 29.95 C +ATOM 419 CD2 PHE A1581 23.565 15.299 -7.000 1.00 28.27 C +ATOM 420 CE1 PHE A1581 23.159 17.373 -5.216 1.00 30.45 C +ATOM 421 CE2 PHE A1581 23.725 15.082 -5.597 1.00 28.48 C +ATOM 422 CZ PHE A1581 23.519 16.113 -4.713 1.00 28.45 C +ATOM 423 N LEU A1582 20.323 16.882 -11.186 1.00 30.98 N +ATOM 424 CA LEU A1582 19.897 17.595 -12.397 1.00 33.40 C +ATOM 425 C LEU A1582 20.487 16.975 -13.634 1.00 34.45 C +ATOM 426 O LEU A1582 21.017 17.696 -14.496 1.00 35.99 O +ATOM 427 CB LEU A1582 20.325 19.062 -12.326 1.00 33.45 C +ATOM 428 CG LEU A1582 20.072 19.818 -11.026 1.00 36.13 C +ATOM 429 CD1 LEU A1582 20.372 21.344 -11.101 1.00 37.33 C +ATOM 430 CD2 LEU A1582 18.625 19.584 -10.597 1.00 38.11 C +ATOM 431 N GLY A1583 20.431 15.646 -13.725 1.00 33.66 N +ATOM 432 CA GLY A1583 20.914 14.950 -14.892 1.00 34.48 C +ATOM 433 C GLY A1583 22.400 14.601 -14.933 1.00 33.35 C +ATOM 434 O GLY A1583 22.814 13.828 -15.798 1.00 35.50 O +ATOM 435 N VAL A1584 23.182 15.102 -13.974 1.00 30.61 N +ATOM 436 CA VAL A1584 24.619 14.902 -13.968 1.00 29.09 C +ATOM 437 C VAL A1584 25.023 13.796 -12.983 1.00 27.93 C +ATOM 438 O VAL A1584 24.687 13.901 -11.799 1.00 25.73 O +ATOM 439 CB VAL A1584 25.325 16.207 -13.586 1.00 29.38 C +ATOM 440 CG1 VAL A1584 26.831 16.001 -13.524 1.00 29.20 C +ATOM 441 CG2 VAL A1584 24.951 17.374 -14.603 1.00 32.01 C +ATOM 442 N ASP A1585 25.690 12.768 -13.489 1.00 27.90 N +ATOM 443 CA ASP A1585 26.189 11.647 -12.683 1.00 28.25 C +ATOM 444 C ASP A1585 27.285 12.139 -11.714 1.00 27.44 C +ATOM 445 O ASP A1585 28.257 12.779 -12.122 1.00 25.26 O +ATOM 446 CB ASP A1585 26.739 10.526 -13.571 1.00 30.57 C +ATOM 447 CG ASP A1585 25.639 9.852 -14.487 1.00 36.80 C +ATOM 448 OD1 ASP A1585 24.539 9.525 -13.991 1.00 43.26 O +ATOM 449 OD2 ASP A1585 25.924 9.637 -15.703 1.00 46.34 O +ATOM 450 N MET A1586 27.123 11.827 -10.428 1.00 24.47 N +ATOM 451 CA MET A1586 28.110 12.176 -9.434 1.00 23.99 C +ATOM 452 C MET A1586 29.059 11.025 -9.172 1.00 24.14 C +ATOM 453 O MET A1586 28.767 9.863 -9.469 1.00 24.34 O +ATOM 454 CB MET A1586 27.448 12.601 -8.112 1.00 25.10 C +ATOM 455 CG MET A1586 26.377 13.627 -8.280 1.00 24.78 C +ATOM 456 SD MET A1586 26.961 15.200 -9.001 1.00 26.97 S +ATOM 457 CE MET A1586 27.935 15.860 -7.682 1.00 30.35 C +ATOM 458 N GLU A1587 30.208 11.368 -8.617 1.00 25.49 N +ATOM 459 CA GLU A1587 31.209 10.400 -8.252 1.00 27.88 C +ATOM 460 C GLU A1587 30.650 9.588 -7.074 1.00 28.95 C +ATOM 461 O GLU A1587 30.150 10.166 -6.118 1.00 25.69 O +ATOM 462 CB GLU A1587 32.501 11.109 -7.845 1.00 29.34 C +ATOM 463 CG GLU A1587 33.727 10.246 -7.691 1.00 36.21 C +ATOM 464 CD GLU A1587 34.193 9.545 -8.978 1.00 41.51 C +ATOM 465 OE1 GLU A1587 33.903 10.001 -10.123 1.00 47.10 O +ATOM 466 OE2 GLU A1587 34.886 8.530 -8.830 1.00 44.77 O +ATOM 467 N ARG A1588 30.678 8.278 -7.229 1.00 30.30 N +ATOM 468 CA ARG A1588 30.338 7.326 -6.190 1.00 34.01 C +ATOM 469 C ARG A1588 31.123 7.676 -4.955 1.00 34.59 C +ATOM 470 O ARG A1588 32.300 8.032 -5.055 1.00 35.55 O +ATOM 471 CB ARG A1588 30.832 5.946 -6.607 1.00 35.29 C +ATOM 472 CG ARG A1588 29.867 4.805 -6.576 1.00 40.32 C +ATOM 473 CD ARG A1588 30.449 3.681 -7.498 1.00 46.40 C +ATOM 474 NE ARG A1588 31.778 3.275 -7.021 1.00 51.78 N +ATOM 475 CZ ARG A1588 32.761 2.739 -7.761 1.00 57.47 C +ATOM 476 NH1 ARG A1588 32.607 2.503 -9.063 1.00 59.41 N +ATOM 477 NH2 ARG A1588 33.921 2.424 -7.179 1.00 58.27 N +ATOM 478 N PHE A1589 30.512 7.553 -3.799 1.00 35.27 N +ATOM 479 CA PHE A1589 31.334 7.490 -2.591 1.00 36.68 C +ATOM 480 C PHE A1589 30.705 6.532 -1.556 1.00 35.96 C +ATOM 481 O PHE A1589 29.609 6.014 -1.756 1.00 35.52 O +ATOM 482 CB PHE A1589 31.499 8.860 -1.997 1.00 37.36 C +ATOM 483 CG PHE A1589 30.300 9.314 -1.311 1.00 39.97 C +ATOM 484 CD1 PHE A1589 30.190 9.166 0.064 1.00 42.59 C +ATOM 485 CD2 PHE A1589 29.263 9.844 -2.014 1.00 41.22 C +ATOM 486 CE1 PHE A1589 29.076 9.548 0.704 1.00 44.10 C +ATOM 487 CE2 PHE A1589 28.137 10.247 -1.366 1.00 44.95 C +ATOM 488 CZ PHE A1589 28.037 10.099 -0.011 1.00 45.24 C +ATOM 489 N GLN A1590 31.425 6.359 -0.462 1.00 35.04 N +ATOM 490 CA GLN A1590 31.206 5.251 0.448 1.00 35.16 C +ATOM 491 C GLN A1590 30.827 5.795 1.809 1.00 33.53 C +ATOM 492 O GLN A1590 31.519 6.696 2.326 1.00 34.27 O +ATOM 493 CB GLN A1590 32.461 4.402 0.521 1.00 36.04 C +ATOM 494 CG GLN A1590 32.998 3.851 -0.813 1.00 39.64 C +ATOM 495 CD GLN A1590 32.005 3.023 -1.629 1.00 45.07 C +ATOM 496 OE1 GLN A1590 31.295 2.150 -1.101 1.00 48.21 O +ATOM 497 NE2 GLN A1590 31.973 3.278 -2.945 1.00 46.25 N +ATOM 498 N LEU A1591 29.671 5.347 2.323 1.00 30.45 N +ATOM 499 CA LEU A1591 29.195 5.691 3.665 1.00 29.93 C +ATOM 500 C LEU A1591 29.529 4.466 4.530 1.00 28.42 C +ATOM 501 O LEU A1591 29.282 3.343 4.115 1.00 27.64 O +ATOM 502 CB LEU A1591 27.670 5.890 3.712 1.00 30.26 C +ATOM 503 CG LEU A1591 26.886 7.178 3.459 1.00 35.18 C +ATOM 504 CD1 LEU A1591 25.423 6.857 3.609 1.00 34.34 C +ATOM 505 CD2 LEU A1591 27.282 8.250 4.488 1.00 37.04 C +ATOM 506 N HIS A1592 30.080 4.702 5.713 1.00 27.09 N +ATOM 507 CA HIS A1592 30.334 3.646 6.667 1.00 26.46 C +ATOM 508 C HIS A1592 29.447 3.867 7.885 1.00 24.61 C +ATOM 509 O HIS A1592 29.433 4.944 8.494 1.00 23.97 O +ATOM 510 CB HIS A1592 31.805 3.634 7.041 1.00 27.43 C +ATOM 511 CG HIS A1592 32.691 3.243 5.908 1.00 30.71 C +ATOM 512 ND1 HIS A1592 33.009 1.930 5.640 1.00 32.12 N +ATOM 513 CD2 HIS A1592 33.311 3.987 4.956 1.00 32.48 C +ATOM 514 CE1 HIS A1592 33.819 1.882 4.595 1.00 34.30 C +ATOM 515 NE2 HIS A1592 34.000 3.113 4.147 1.00 33.28 N +ATOM 516 N TYR A1593 28.701 2.833 8.230 1.00 22.64 N +ATOM 517 CA TYR A1593 27.777 2.921 9.332 1.00 22.09 C +ATOM 518 C TYR A1593 28.518 3.344 10.610 1.00 21.36 C +ATOM 519 O TYR A1593 28.015 4.177 11.376 1.00 21.27 O +ATOM 520 CB TYR A1593 27.122 1.574 9.503 1.00 22.62 C +ATOM 521 CG TYR A1593 25.887 1.609 10.335 1.00 24.69 C +ATOM 522 CD1 TYR A1593 24.644 1.918 9.789 1.00 27.54 C +ATOM 523 CD2 TYR A1593 25.972 1.412 11.707 1.00 26.78 C +ATOM 524 CE1 TYR A1593 23.510 1.930 10.584 1.00 26.83 C +ATOM 525 CE2 TYR A1593 24.873 1.456 12.470 1.00 27.51 C +ATOM 526 CZ TYR A1593 23.651 1.689 11.924 1.00 28.80 C +ATOM 527 OH TYR A1593 22.591 1.698 12.787 1.00 33.48 O +ATOM 528 N GLN A1594 29.734 2.830 10.813 1.00 21.75 N +ATOM 529 CA GLN A1594 30.492 3.138 12.037 1.00 22.58 C +ATOM 530 C GLN A1594 30.879 4.618 12.121 1.00 22.68 C +ATOM 531 O GLN A1594 30.877 5.222 13.207 1.00 22.68 O +ATOM 532 CB GLN A1594 31.723 2.264 12.169 1.00 21.61 C +ATOM 533 CG GLN A1594 32.502 2.490 13.502 1.00 25.82 C +ATOM 534 CD GLN A1594 31.719 2.183 14.792 1.00 26.36 C +ATOM 535 OE1 GLN A1594 30.832 1.290 14.831 1.00 26.88 O +ATOM 536 NE2 GLN A1594 32.028 2.948 15.870 1.00 26.81 N +ATOM 537 N ASP A1595 31.128 5.234 10.965 1.00 22.85 N +ATOM 538 CA ASP A1595 31.382 6.685 10.911 1.00 23.49 C +ATOM 539 C ASP A1595 30.128 7.486 11.316 1.00 22.85 C +ATOM 540 O ASP A1595 30.214 8.468 12.050 1.00 23.09 O +ATOM 541 CB ASP A1595 31.880 7.114 9.511 1.00 24.93 C +ATOM 542 CG ASP A1595 33.257 6.580 9.179 1.00 27.06 C +ATOM 543 OD1 ASP A1595 34.025 6.218 10.069 1.00 29.45 O +ATOM 544 OD2 ASP A1595 33.575 6.510 8.001 1.00 30.38 O +ATOM 545 N LEU A1596 28.952 7.080 10.840 1.00 21.26 N +ATOM 546 CA LEU A1596 27.716 7.697 11.247 1.00 21.52 C +ATOM 547 C LEU A1596 27.471 7.528 12.771 1.00 20.60 C +ATOM 548 O LEU A1596 27.035 8.458 13.447 1.00 20.09 O +ATOM 549 CB LEU A1596 26.546 7.080 10.484 1.00 20.88 C +ATOM 550 CG LEU A1596 26.558 7.293 8.969 1.00 25.11 C +ATOM 551 CD1 LEU A1596 25.373 6.536 8.369 1.00 24.51 C +ATOM 552 CD2 LEU A1596 26.494 8.794 8.654 1.00 29.06 C +ATOM 553 N LEU A1597 27.714 6.340 13.289 1.00 20.51 N +ATOM 554 CA LEU A1597 27.603 6.122 14.757 1.00 20.66 C +ATOM 555 C LEU A1597 28.565 7.017 15.504 1.00 20.47 C +ATOM 556 O LEU A1597 28.223 7.533 16.544 1.00 19.82 O +ATOM 557 CB LEU A1597 27.826 4.668 15.146 1.00 20.28 C +ATOM 558 CG LEU A1597 26.801 3.621 14.695 1.00 19.28 C +ATOM 559 CD1 LEU A1597 27.090 2.212 15.284 1.00 19.29 C +ATOM 560 CD2 LEU A1597 25.346 4.078 15.077 1.00 23.50 C +ATOM 561 N GLN A1598 29.762 7.218 14.975 1.00 20.97 N +ATOM 562 CA GLN A1598 30.738 8.091 15.650 1.00 22.33 C +ATOM 563 C GLN A1598 30.240 9.561 15.648 1.00 22.60 C +ATOM 564 O GLN A1598 30.319 10.276 16.639 1.00 22.17 O +ATOM 565 CB GLN A1598 32.090 7.971 14.989 1.00 22.05 C +ATOM 566 CG GLN A1598 33.228 8.848 15.560 1.00 24.08 C +ATOM 567 CD GLN A1598 33.571 8.487 16.963 1.00 28.19 C +ATOM 568 OE1 GLN A1598 33.485 7.308 17.333 1.00 28.75 O +ATOM 569 NE2 GLN A1598 33.978 9.493 17.770 1.00 30.04 N +ATOM 570 N LEU A1599 29.688 10.005 14.521 1.00 23.21 N +ATOM 571 CA LEU A1599 29.086 11.329 14.468 1.00 22.07 C +ATOM 572 C LEU A1599 28.002 11.481 15.495 1.00 23.16 C +ATOM 573 O LEU A1599 27.994 12.464 16.253 1.00 22.96 O +ATOM 574 CB LEU A1599 28.549 11.619 13.069 1.00 23.81 C +ATOM 575 CG LEU A1599 29.645 11.882 12.050 1.00 21.92 C +ATOM 576 CD1 LEU A1599 28.973 12.156 10.644 1.00 21.97 C +ATOM 577 CD2 LEU A1599 30.573 13.075 12.391 1.00 24.37 C +ATOM 578 N GLN A1600 27.115 10.495 15.543 1.00 22.41 N +ATOM 579 CA GLN A1600 25.997 10.518 16.436 1.00 24.71 C +ATOM 580 C GLN A1600 26.478 10.550 17.912 1.00 25.69 C +ATOM 581 O GLN A1600 25.956 11.327 18.736 1.00 26.12 O +ATOM 582 CB GLN A1600 25.100 9.324 16.162 1.00 24.75 C +ATOM 583 CG GLN A1600 23.861 9.254 17.020 1.00 28.00 C +ATOM 584 CD GLN A1600 23.100 7.975 16.816 1.00 30.67 C +ATOM 585 OE1 GLN A1600 23.603 6.894 17.090 1.00 30.21 O +ATOM 586 NE2 GLN A1600 21.857 8.095 16.358 1.00 28.58 N +ATOM 587 N TYR A1601 27.526 9.803 18.174 1.00 26.14 N +ATOM 588 CA TYR A1601 28.100 9.692 19.543 1.00 27.50 C +ATOM 589 C TYR A1601 28.692 11.058 19.975 1.00 28.90 C +ATOM 590 O TYR A1601 28.589 11.478 21.154 1.00 29.10 O +ATOM 591 CB TYR A1601 29.132 8.575 19.555 1.00 27.53 C +ATOM 592 CG TYR A1601 29.760 8.355 20.927 1.00 29.74 C +ATOM 593 CD1 TYR A1601 29.103 7.571 21.876 1.00 34.47 C +ATOM 594 CD2 TYR A1601 30.972 8.965 21.280 1.00 34.67 C +ATOM 595 CE1 TYR A1601 29.652 7.372 23.161 1.00 35.35 C +ATOM 596 CE2 TYR A1601 31.527 8.792 22.578 1.00 36.34 C +ATOM 597 CZ TYR A1601 30.856 7.991 23.493 1.00 37.21 C +ATOM 598 OH TYR A1601 31.368 7.797 24.765 1.00 39.45 O +ATOM 599 N GLU A1602 29.308 11.736 19.008 1.00 28.36 N +ATOM 600 CA GLU A1602 29.926 13.058 19.170 1.00 30.39 C +ATOM 601 C GLU A1602 28.911 14.209 19.229 1.00 30.44 C +ATOM 602 O GLU A1602 29.300 15.355 19.437 1.00 32.02 O +ATOM 603 CB GLU A1602 30.939 13.324 18.034 1.00 30.35 C +ATOM 604 CG GLU A1602 32.226 12.476 18.058 1.00 33.45 C +ATOM 605 CD GLU A1602 33.040 12.513 16.757 1.00 35.77 C +ATOM 606 OE1 GLU A1602 32.543 13.028 15.708 1.00 43.33 O +ATOM 607 OE2 GLU A1602 34.182 12.008 16.736 1.00 37.30 O +ATOM 608 N GLY A1603 27.645 13.903 19.000 1.00 29.48 N +ATOM 609 CA GLY A1603 26.579 14.893 19.025 1.00 29.25 C +ATOM 610 C GLY A1603 26.497 15.718 17.764 1.00 27.32 C +ATOM 611 O GLY A1603 25.962 16.814 17.793 1.00 27.78 O +ATOM 612 N VAL A1604 27.016 15.201 16.653 1.00 26.34 N +ATOM 613 CA VAL A1604 27.006 15.921 15.372 1.00 25.03 C +ATOM 614 C VAL A1604 25.635 15.663 14.686 1.00 24.59 C +ATOM 615 O VAL A1604 25.199 14.518 14.566 1.00 25.89 O +ATOM 616 CB VAL A1604 28.190 15.506 14.483 1.00 24.96 C +ATOM 617 CG1 VAL A1604 28.029 16.121 13.052 1.00 24.66 C +ATOM 618 CG2 VAL A1604 29.560 15.930 15.152 1.00 26.95 C +ATOM 619 N ALA A1605 24.949 16.724 14.279 1.00 23.85 N +ATOM 620 CA ALA A1605 23.610 16.606 13.769 1.00 23.84 C +ATOM 621 C ALA A1605 23.595 16.207 12.320 1.00 24.14 C +ATOM 622 O ALA A1605 22.695 15.519 11.919 1.00 22.73 O +ATOM 623 CB ALA A1605 22.803 17.901 13.898 1.00 25.31 C +ATOM 624 N VAL A1606 24.558 16.701 11.563 1.00 26.38 N +ATOM 625 CA VAL A1606 24.533 16.587 10.114 1.00 28.20 C +ATOM 626 C VAL A1606 25.874 16.160 9.521 1.00 28.85 C +ATOM 627 O VAL A1606 26.956 16.313 10.125 1.00 28.21 O +ATOM 628 CB VAL A1606 24.077 17.922 9.449 1.00 29.40 C +ATOM 629 CG1 VAL A1606 22.764 18.430 10.066 1.00 28.50 C +ATOM 630 CG2 VAL A1606 25.170 18.990 9.509 1.00 33.37 C +ATOM 631 N MET A1607 25.791 15.591 8.333 1.00 28.75 N +ATOM 632 CA MET A1607 26.962 15.285 7.560 1.00 29.81 C +ATOM 633 C MET A1607 26.700 15.788 6.141 1.00 29.74 C +ATOM 634 O MET A1607 25.552 15.948 5.775 1.00 27.88 O +ATOM 635 CB MET A1607 27.325 13.816 7.671 1.00 31.21 C +ATOM 636 CG MET A1607 26.698 12.764 6.774 1.00 34.90 C +ATOM 637 SD MET A1607 27.789 11.276 6.532 1.00 41.54 S +ATOM 638 CE MET A1607 29.057 11.898 5.420 1.00 46.47 C +ATOM 639 N LYS A1608 27.758 16.111 5.420 1.00 30.03 N +ATOM 640 CA LYS A1608 27.625 16.685 4.084 1.00 32.33 C +ATOM 641 C LYS A1608 27.922 15.578 3.096 1.00 32.25 C +ATOM 642 O LYS A1608 28.871 14.787 3.283 1.00 31.58 O +ATOM 643 CB LYS A1608 28.569 17.871 3.863 1.00 33.19 C +ATOM 644 CG LYS A1608 28.076 19.186 4.416 1.00 36.90 C +ATOM 645 CD LYS A1608 28.880 20.383 3.853 1.00 40.98 C +ATOM 646 N LEU A1609 27.060 15.453 2.097 1.00 32.90 N +ATOM 647 CA LEU A1609 27.290 14.512 0.993 1.00 34.10 C +ATOM 648 C LEU A1609 27.466 15.342 -0.268 1.00 34.58 C +ATOM 649 O LEU A1609 26.827 16.396 -0.427 1.00 35.34 O +ATOM 650 CB LEU A1609 26.118 13.561 0.804 1.00 34.18 C +ATOM 651 CG LEU A1609 25.568 12.731 1.958 1.00 36.72 C +ATOM 652 CD1 LEU A1609 24.465 11.826 1.430 1.00 38.53 C +ATOM 653 CD2 LEU A1609 26.645 11.908 2.615 1.00 38.06 C +ATOM 654 N PHE A1610 28.353 14.901 -1.152 1.00 35.56 N +ATOM 655 CA PHE A1610 28.614 15.617 -2.396 1.00 36.40 C +ATOM 656 C PHE A1610 28.835 17.110 -2.161 1.00 37.24 C +ATOM 657 O PHE A1610 28.298 17.923 -2.896 1.00 38.77 O +ATOM 658 CB PHE A1610 27.432 15.377 -3.364 1.00 35.91 C +ATOM 659 CG PHE A1610 27.131 13.925 -3.600 1.00 36.99 C +ATOM 660 CD1 PHE A1610 27.994 13.149 -4.383 1.00 37.59 C +ATOM 661 CD2 PHE A1610 26.041 13.307 -2.993 1.00 38.45 C +ATOM 662 CE1 PHE A1610 27.735 11.810 -4.595 1.00 36.91 C +ATOM 663 CE2 PHE A1610 25.777 11.935 -3.180 1.00 40.41 C +ATOM 664 CZ PHE A1610 26.625 11.189 -3.995 1.00 41.30 C +ATOM 665 N ASN A1611 29.570 17.473 -1.100 1.00 37.87 N +ATOM 666 CA ASN A1611 29.907 18.881 -0.766 1.00 37.73 C +ATOM 667 C ASN A1611 28.774 19.838 -0.301 1.00 37.72 C +ATOM 668 O ASN A1611 28.943 20.599 0.648 1.00 39.88 O +ATOM 669 CB ASN A1611 30.678 19.536 -1.914 1.00 39.04 C +ATOM 670 N LYS A1612 27.618 19.798 -0.936 1.00 36.27 N +ATOM 671 CA LYS A1612 26.560 20.749 -0.617 1.00 34.92 C +ATOM 672 C LYS A1612 25.263 20.142 -0.091 1.00 31.93 C +ATOM 673 O LYS A1612 24.359 20.893 0.275 1.00 31.71 O +ATOM 674 CB LYS A1612 26.282 21.618 -1.843 1.00 35.67 C +ATOM 675 CG LYS A1612 27.395 22.644 -2.144 1.00 39.70 C +ATOM 676 CD LYS A1612 27.013 23.590 -3.277 1.00 43.58 C +ATOM 677 CE LYS A1612 28.045 24.703 -3.453 1.00 44.99 C +ATOM 678 NZ LYS A1612 27.764 25.483 -4.699 1.00 46.98 N +ATOM 679 N ALA A1613 25.145 18.819 -0.028 1.00 29.74 N +ATOM 680 CA ALA A1613 23.925 18.196 0.498 1.00 28.63 C +ATOM 681 C ALA A1613 24.098 17.853 1.961 1.00 28.13 C +ATOM 682 O ALA A1613 24.956 17.057 2.292 1.00 31.56 O +ATOM 683 CB ALA A1613 23.554 16.938 -0.283 1.00 28.61 C +ATOM 684 N LYS A1614 23.280 18.389 2.828 1.00 26.90 N +ATOM 685 CA LYS A1614 23.435 18.125 4.255 1.00 27.05 C +ATOM 686 C LYS A1614 22.362 17.147 4.643 1.00 24.41 C +ATOM 687 O LYS A1614 21.193 17.331 4.277 1.00 24.27 O +ATOM 688 CB LYS A1614 23.301 19.395 5.075 1.00 28.36 C +ATOM 689 CG LYS A1614 24.488 20.346 5.036 1.00 34.57 C +ATOM 690 CD LYS A1614 24.192 21.476 6.066 1.00 38.75 C +ATOM 691 CE LYS A1614 25.409 22.309 6.471 1.00 42.95 C +ATOM 692 NZ LYS A1614 25.052 23.146 7.693 1.00 44.81 N +ATOM 693 N VAL A1615 22.737 16.078 5.338 1.00 22.25 N +ATOM 694 CA VAL A1615 21.807 15.033 5.727 1.00 21.17 C +ATOM 695 C VAL A1615 21.842 14.900 7.239 1.00 21.51 C +ATOM 696 O VAL A1615 22.917 15.126 7.853 1.00 21.07 O +ATOM 697 CB VAL A1615 22.052 13.661 5.059 1.00 22.01 C +ATOM 698 CG1 VAL A1615 21.777 13.748 3.554 1.00 23.57 C +ATOM 699 CG2 VAL A1615 23.453 13.166 5.302 1.00 23.92 C +ATOM 700 N ASN A1616 20.690 14.608 7.820 1.00 19.54 N +ATOM 701 CA ASN A1616 20.579 14.450 9.260 1.00 20.13 C +ATOM 702 C ASN A1616 21.118 13.071 9.639 1.00 19.48 C +ATOM 703 O ASN A1616 20.652 12.072 9.148 1.00 18.79 O +ATOM 704 CB ASN A1616 19.127 14.540 9.655 1.00 20.91 C +ATOM 705 CG ASN A1616 18.935 14.385 11.149 1.00 22.74 C +ATOM 706 OD1 ASN A1616 18.651 13.302 11.613 1.00 21.79 O +ATOM 707 ND2 ASN A1616 19.168 15.465 11.901 1.00 26.44 N +ATOM 708 N VAL A1617 22.120 13.033 10.514 1.00 19.21 N +ATOM 709 CA VAL A1617 22.795 11.802 10.870 1.00 18.96 C +ATOM 710 C VAL A1617 21.810 10.811 11.510 1.00 19.52 C +ATOM 711 O VAL A1617 21.772 9.639 11.131 1.00 19.43 O +ATOM 712 CB VAL A1617 24.014 12.099 11.805 1.00 19.14 C +ATOM 713 CG1 VAL A1617 24.578 10.796 12.387 1.00 20.54 C +ATOM 714 CG2 VAL A1617 25.122 12.842 11.056 1.00 17.73 C +ATOM 715 N ASN A1618 20.992 11.240 12.490 1.00 20.51 N +ATOM 716 CA ASN A1618 20.090 10.311 13.140 1.00 20.68 C +ATOM 717 C ASN A1618 19.120 9.661 12.163 1.00 20.44 C +ATOM 718 O ASN A1618 18.880 8.453 12.229 1.00 19.42 O +ATOM 719 CB ASN A1618 19.284 11.016 14.241 1.00 21.83 C +ATOM 720 CG ASN A1618 20.129 11.339 15.469 1.00 26.97 C +ATOM 721 OD1 ASN A1618 21.184 10.756 15.639 1.00 28.60 O +ATOM 722 ND2 ASN A1618 19.657 12.255 16.326 1.00 28.73 N +ATOM 723 N LEU A1619 18.551 10.467 11.266 1.00 20.28 N +ATOM 724 CA LEU A1619 17.545 9.938 10.375 1.00 20.37 C +ATOM 725 C LEU A1619 18.142 9.121 9.213 1.00 19.55 C +ATOM 726 O LEU A1619 17.487 8.162 8.722 1.00 19.71 O +ATOM 727 CB LEU A1619 16.559 11.021 9.940 1.00 21.48 C +ATOM 728 CG LEU A1619 15.591 11.419 11.071 1.00 24.15 C +ATOM 729 CD1 LEU A1619 14.855 12.692 10.673 1.00 28.98 C +ATOM 730 CD2 LEU A1619 14.633 10.304 11.421 1.00 30.56 C +ATOM 731 N LEU A1620 19.380 9.422 8.846 1.00 19.62 N +ATOM 732 CA LEU A1620 20.122 8.559 7.908 1.00 20.16 C +ATOM 733 C LEU A1620 20.387 7.217 8.520 1.00 21.43 C +ATOM 734 O LEU A1620 20.136 6.196 7.894 1.00 20.98 O +ATOM 735 CB LEU A1620 21.394 9.213 7.414 1.00 20.07 C +ATOM 736 CG LEU A1620 22.273 8.456 6.403 1.00 21.35 C +ATOM 737 CD1 LEU A1620 21.422 8.057 5.142 1.00 21.39 C +ATOM 738 CD2 LEU A1620 23.500 9.338 6.084 1.00 22.12 C +ATOM 739 N ILE A1621 20.863 7.197 9.768 1.00 20.64 N +ATOM 740 CA ILE A1621 21.056 5.923 10.469 1.00 20.75 C +ATOM 741 C ILE A1621 19.757 5.105 10.486 1.00 22.04 C +ATOM 742 O ILE A1621 19.760 3.873 10.214 1.00 22.79 O +ATOM 743 CB ILE A1621 21.599 6.140 11.903 1.00 20.62 C +ATOM 744 CG1 ILE A1621 23.035 6.616 11.824 1.00 20.17 C +ATOM 745 CG2 ILE A1621 21.458 4.854 12.733 1.00 23.74 C +ATOM 746 CD1 ILE A1621 23.607 7.152 13.186 1.00 21.76 C +ATOM 747 N PHE A1622 18.648 5.760 10.826 1.00 22.12 N +ATOM 748 CA PHE A1622 17.347 5.111 10.860 1.00 23.57 C +ATOM 749 C PHE A1622 16.942 4.560 9.496 1.00 23.62 C +ATOM 750 O PHE A1622 16.569 3.408 9.391 1.00 22.55 O +ATOM 751 CB PHE A1622 16.320 6.082 11.371 1.00 25.42 C +ATOM 752 CG PHE A1622 14.922 5.513 11.440 1.00 30.53 C +ATOM 753 CD1 PHE A1622 14.641 4.451 12.266 1.00 36.46 C +ATOM 754 CD2 PHE A1622 13.900 6.081 10.704 1.00 38.96 C +ATOM 755 CE1 PHE A1622 13.330 3.943 12.356 1.00 40.07 C +ATOM 756 CE2 PHE A1622 12.597 5.583 10.782 1.00 41.19 C +ATOM 757 CZ PHE A1622 12.327 4.516 11.605 1.00 41.51 C +ATOM 758 N LEU A1623 17.111 5.338 8.440 1.00 24.90 N +ATOM 759 CA LEU A1623 16.814 4.836 7.091 1.00 26.05 C +ATOM 760 C LEU A1623 17.669 3.629 6.661 1.00 25.94 C +ATOM 761 O LEU A1623 17.121 2.622 6.175 1.00 26.51 O +ATOM 762 CB LEU A1623 16.982 5.946 6.069 1.00 26.12 C +ATOM 763 CG LEU A1623 16.497 5.676 4.633 1.00 28.74 C +ATOM 764 CD1 LEU A1623 14.974 5.562 4.542 1.00 32.05 C +ATOM 765 CD2 LEU A1623 17.008 6.842 3.727 1.00 29.73 C +ATOM 766 N LEU A1624 18.983 3.714 6.853 1.00 25.68 N +ATOM 767 CA LEU A1624 19.866 2.585 6.617 1.00 27.30 C +ATOM 768 C LEU A1624 19.465 1.329 7.433 1.00 29.26 C +ATOM 769 O LEU A1624 19.377 0.230 6.865 1.00 31.55 O +ATOM 770 CB LEU A1624 21.324 2.951 6.866 1.00 26.39 C +ATOM 771 CG LEU A1624 21.928 4.022 5.959 1.00 26.15 C +ATOM 772 CD1 LEU A1624 23.362 4.301 6.444 1.00 29.95 C +ATOM 773 CD2 LEU A1624 21.935 3.637 4.507 1.00 28.37 C +ATOM 774 N ASN A1625 19.162 1.501 8.705 1.00 30.32 N +ATOM 775 CA ASN A1625 18.661 0.402 9.561 1.00 32.71 C +ATOM 776 C ASN A1625 17.393 -0.273 9.022 1.00 33.55 C +ATOM 777 O ASN A1625 17.305 -1.503 8.976 1.00 34.69 O +ATOM 778 CB ASN A1625 18.269 0.896 10.964 1.00 33.13 C +ATOM 779 CG ASN A1625 19.464 1.225 11.852 1.00 34.50 C +ATOM 780 OD1 ASN A1625 20.606 0.912 11.514 1.00 39.38 O +ATOM 781 ND2 ASN A1625 19.193 1.840 13.018 1.00 38.01 N +ATOM 782 N LYS A1626 16.398 0.554 8.719 1.00 35.15 N +ATOM 783 CA LYS A1626 15.085 0.110 8.300 1.00 37.16 C +ATOM 784 C LYS A1626 15.170 -0.614 6.971 1.00 38.75 C +ATOM 785 O LYS A1626 14.570 -1.695 6.787 1.00 37.54 O +ATOM 786 CB LYS A1626 14.165 1.314 8.172 1.00 37.86 C +ATOM 787 CG LYS A1626 12.698 1.043 7.904 1.00 40.36 C +ATOM 788 CD LYS A1626 11.872 2.351 8.052 1.00 41.50 C +ATOM 789 N LYS A1627 15.921 -0.036 6.045 1.00 39.45 N +ATOM 790 CA LYS A1627 15.968 -0.559 4.690 1.00 41.23 C +ATOM 791 C LYS A1627 16.996 -1.702 4.496 1.00 40.98 C +ATOM 792 O LYS A1627 16.798 -2.561 3.640 1.00 42.18 O +ATOM 793 CB LYS A1627 16.170 0.600 3.693 1.00 42.13 C +ATOM 794 CG LYS A1627 15.116 1.733 3.832 1.00 45.29 C +ATOM 795 CD LYS A1627 13.769 1.411 3.154 1.00 50.22 C +ATOM 796 CE LYS A1627 12.563 1.911 3.976 1.00 51.97 C +ATOM 797 NZ LYS A1627 11.324 2.120 3.141 1.00 53.88 N +ATOM 798 N PHE A1628 18.060 -1.744 5.292 1.00 40.96 N +ATOM 799 CA PHE A1628 19.156 -2.685 5.053 1.00 41.38 C +ATOM 800 C PHE A1628 19.527 -3.617 6.214 1.00 43.28 C +ATOM 801 O PHE A1628 19.685 -4.817 6.008 1.00 44.12 O +ATOM 802 CB PHE A1628 20.427 -1.949 4.683 1.00 41.20 C +ATOM 803 CG PHE A1628 20.374 -1.266 3.359 1.00 39.38 C +ATOM 804 CD1 PHE A1628 20.480 0.108 3.279 1.00 37.53 C +ATOM 805 CD2 PHE A1628 20.261 -2.009 2.180 1.00 39.39 C +ATOM 806 CE1 PHE A1628 20.460 0.752 2.055 1.00 35.35 C +ATOM 807 CE2 PHE A1628 20.231 -1.370 0.962 1.00 37.44 C +ATOM 808 CZ PHE A1628 20.333 0.014 0.907 1.00 36.88 C +ATOM 809 N LEU A1629 19.754 -3.053 7.396 1.00 44.58 N +ATOM 810 CA LEU A1629 20.307 -3.824 8.533 1.00 45.25 C +ATOM 811 C LEU A1629 19.280 -4.755 9.169 1.00 45.98 C +ATOM 812 O LEU A1629 19.677 -5.710 9.841 1.00 44.33 O +ATOM 813 CB LEU A1629 20.910 -2.899 9.594 1.00 45.65 C +ATOM 814 CG LEU A1629 22.050 -1.994 9.100 1.00 46.44 C +ATOM 815 CD1 LEU A1629 22.786 -1.467 10.323 1.00 47.51 C +ATOM 816 CD2 LEU A1629 23.010 -2.717 8.134 1.00 43.71 C +ATOM 817 N ARG A1630 17.988 -4.473 8.928 1.00 46.21 N +ATOM 818 CA ARG A1630 16.873 -5.313 9.399 1.00 47.34 C +ATOM 819 C ARG A1630 16.730 -6.564 8.515 1.00 47.46 C +ATOM 820 O ARG A1630 16.516 -6.440 7.300 1.00 47.99 O +ATOM 821 CB ARG A1630 15.554 -4.512 9.402 1.00 46.76 C Added: SwiftApps/modFTdock/input/indata/3kgr-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3kgr-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3kgr-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,801 @@ +ATOM 1 N ASP A 25 26.416 38.154 56.281 1.00 71.61 N +ATOM 2 CA ASP A 25 26.341 38.887 57.541 1.00 69.57 C +ATOM 3 C ASP A 25 26.189 40.369 57.206 1.00 62.37 C +ATOM 4 O ASP A 25 25.291 41.055 57.715 1.00 59.95 O +ATOM 5 CB ASP A 25 27.608 38.654 58.365 1.00 71.77 C +ATOM 6 CG ASP A 25 27.331 38.561 59.859 1.00 78.47 C +ATOM 7 OD1 ASP A 25 26.189 38.854 60.294 1.00 80.20 O +ATOM 8 OD2 ASP A 25 28.264 38.187 60.601 1.00 82.55 O +ATOM 9 N LEU A 26 27.092 40.858 56.354 1.00 52.59 N +ATOM 10 CA LEU A 26 26.975 42.194 55.772 1.00 36.43 C +ATOM 11 C LEU A 26 25.870 42.172 54.733 1.00 28.39 C +ATOM 12 O LEU A 26 25.866 41.306 53.848 1.00 28.87 O +ATOM 13 CB LEU A 26 28.266 42.586 55.057 1.00 28.03 C +ATOM 14 CG LEU A 26 29.535 42.908 55.827 1.00 20.75 C +ATOM 15 CD1 LEU A 26 30.642 43.083 54.821 1.00 16.45 C +ATOM 16 CD2 LEU A 26 29.353 44.154 56.681 1.00 22.46 C +ATOM 17 N PRO A 27 24.937 43.132 54.815 1.00 24.61 N +ATOM 18 CA PRO A 27 23.859 43.188 53.820 1.00 23.33 C +ATOM 19 C PRO A 27 24.411 43.457 52.411 1.00 18.86 C +ATOM 20 O PRO A 27 25.372 44.205 52.264 1.00 20.72 O +ATOM 21 CB PRO A 27 22.997 44.370 54.288 1.00 22.70 C +ATOM 22 CG PRO A 27 23.450 44.684 55.673 1.00 26.72 C +ATOM 23 CD PRO A 27 24.861 44.226 55.799 1.00 25.49 C +ATOM 24 N ARG A 28 23.830 42.833 51.396 1.00 16.61 N +ATOM 25 CA ARG A 28 24.182 43.145 50.015 1.00 15.23 C +ATOM 26 C ARG A 28 23.799 44.606 49.728 1.00 15.33 C +ATOM 27 O ARG A 28 22.690 45.029 50.077 1.00 17.62 O +ATOM 28 CB ARG A 28 23.442 42.173 49.086 1.00 18.97 C +ATOM 29 CG ARG A 28 23.301 42.622 47.664 1.00 15.30 C +ATOM 30 CD ARG A 28 22.538 41.570 46.868 1.00 18.37 C +ATOM 31 NE ARG A 28 23.391 40.472 46.437 1.00 21.20 N +ATOM 32 CZ ARG A 28 23.266 39.220 46.859 1.00 21.20 C +ATOM 33 NH1 ARG A 28 22.321 38.908 47.734 1.00 21.42 N +ATOM 34 NH2 ARG A 28 24.078 38.275 46.391 1.00 13.00 N +ATOM 35 N PRO A 29 24.715 45.398 49.118 1.00 16.99 N +ATOM 36 CA PRO A 29 24.356 46.806 48.897 1.00 15.93 C +ATOM 37 C PRO A 29 23.371 46.946 47.742 1.00 9.40 C +ATOM 38 O PRO A 29 23.189 46.007 46.975 1.00 9.36 O +ATOM 39 CB PRO A 29 25.708 47.452 48.520 1.00 11.12 C +ATOM 40 CG PRO A 29 26.484 46.317 47.888 1.00 7.70 C +ATOM 41 CD PRO A 29 26.126 45.135 48.758 1.00 13.63 C +ATOM 42 N SER A 30 22.769 48.123 47.606 1.00 13.27 N +ATOM 43 CA SER A 30 21.928 48.425 46.454 1.00 12.42 C +ATOM 44 C SER A 30 22.591 49.446 45.535 1.00 12.04 C +ATOM 45 O SER A 30 23.400 50.268 45.966 1.00 9.40 O +ATOM 46 CB SER A 30 20.563 48.952 46.903 1.00 13.25 C +ATOM 47 OG SER A 30 20.709 50.249 47.438 1.00 16.74 O +ATOM 48 N ILE A 31 22.260 49.355 44.252 1.00 11.87 N +ATOM 49 CA ILE A 31 22.736 50.309 43.267 1.00 7.13 C +ATOM 50 C ILE A 31 21.511 50.953 42.614 1.00 10.13 C +ATOM 51 O ILE A 31 20.508 50.274 42.363 1.00 9.69 O +ATOM 52 CB ILE A 31 23.662 49.638 42.203 1.00 15.42 C +ATOM 53 CG1 ILE A 31 24.234 50.684 41.240 1.00 14.41 C +ATOM 54 CG2 ILE A 31 22.920 48.506 41.461 1.00 10.14 C +ATOM 55 CD1 ILE A 31 25.452 50.203 40.398 1.00 12.74 C +ATOM 56 N ASER A 32 21.597 52.260 42.368 0.58 12.42 N +ATOM 57 N BSER A 32 21.597 52.253 42.346 0.42 12.42 N +ATOM 58 CA ASER A 32 20.549 53.016 41.681 0.58 14.09 C +ATOM 59 CA BSER A 32 20.539 52.972 41.639 0.42 14.12 C +ATOM 60 C ASER A 32 21.174 53.887 40.588 0.58 14.60 C +ATOM 61 C BSER A 32 21.144 53.923 40.612 0.42 14.81 C +ATOM 62 O ASER A 32 22.327 54.301 40.709 0.58 16.71 O +ATOM 63 O BSER A 32 22.246 54.434 40.807 0.42 16.64 O +ATOM 64 CB ASER A 32 19.780 53.900 42.676 0.58 13.23 C +ATOM 65 CB BSER A 32 19.663 53.752 42.624 0.42 13.81 C +ATOM 66 OG ASER A 32 19.126 53.131 43.673 0.58 13.11 O +ATOM 67 OG BSER A 32 20.396 54.791 43.246 0.42 15.70 O +ATOM 68 N ALA A 33 20.432 54.151 39.515 1.00 14.45 N +ATOM 69 CA ALA A 33 20.905 55.085 38.492 1.00 12.82 C +ATOM 70 C ALA A 33 19.984 56.308 38.431 1.00 16.13 C +ATOM 71 O ALA A 33 18.753 56.179 38.491 1.00 14.78 O +ATOM 72 CB ALA A 33 21.041 54.413 37.107 1.00 8.94 C +ATOM 73 N GLU A 34 20.594 57.489 38.351 1.00 14.23 N +ATOM 74 CA GLU A 34 19.864 58.745 38.258 1.00 11.38 C +ATOM 75 C GLU A 34 20.388 59.448 37.025 1.00 9.64 C +ATOM 76 O GLU A 34 21.584 59.681 36.920 1.00 12.92 O +ATOM 77 CB GLU A 34 20.120 59.582 39.502 1.00 14.35 C +ATOM 78 CG GLU A 34 19.811 58.858 40.812 1.00 17.39 C +ATOM 79 CD GLU A 34 19.991 59.758 42.028 1.00 24.62 C +ATOM 80 OE1 GLU A 34 20.604 60.836 41.879 1.00 24.95 O +ATOM 81 OE2 GLU A 34 19.524 59.393 43.135 1.00 22.99 O +ATOM 82 N PRO A 35 19.504 59.813 36.091 1.00 12.52 N +ATOM 83 CA PRO A 35 18.032 59.784 36.119 1.00 21.92 C +ATOM 84 C PRO A 35 17.411 58.423 35.829 1.00 21.60 C +ATOM 85 O PRO A 35 16.224 58.238 36.075 1.00 23.85 O +ATOM 86 CB PRO A 35 17.650 60.752 34.989 1.00 24.63 C +ATOM 87 CG PRO A 35 18.824 60.672 34.035 1.00 24.52 C +ATOM 88 CD PRO A 35 20.004 60.618 34.960 1.00 18.57 C +ATOM 89 N GLY A 36 18.192 57.494 35.308 1.00 18.85 N +ATOM 90 CA GLY A 36 17.667 56.198 34.934 1.00 16.45 C +ATOM 91 C GLY A 36 18.733 55.348 34.277 1.00 19.31 C +ATOM 92 O GLY A 36 19.901 55.734 34.244 1.00 17.42 O +ATOM 93 N THR A 37 18.338 54.191 33.755 1.00 17.37 N +ATOM 94 CA THR A 37 19.312 53.231 33.236 1.00 16.72 C +ATOM 95 C THR A 37 19.462 53.355 31.724 1.00 12.61 C +ATOM 96 O THR A 37 20.411 52.828 31.140 1.00 12.83 O +ATOM 97 CB THR A 37 18.931 51.770 33.610 1.00 23.56 C +ATOM 98 OG1 THR A 37 17.742 51.387 32.906 1.00 21.57 O +ATOM 99 CG2 THR A 37 18.677 51.654 35.096 1.00 25.21 C +ATOM 100 N VAL A 38 18.504 54.033 31.091 1.00 16.22 N +ATOM 101 CA VAL A 38 18.563 54.290 29.648 1.00 16.40 C +ATOM 102 C VAL A 38 18.909 55.764 29.421 1.00 14.06 C +ATOM 103 O VAL A 38 18.119 56.655 29.728 1.00 14.25 O +ATOM 104 CB VAL A 38 17.231 53.962 28.939 1.00 16.57 C +ATOM 105 CG1 VAL A 38 17.372 54.169 27.427 1.00 15.07 C +ATOM 106 CG2 VAL A 38 16.773 52.552 29.262 1.00 13.66 C +ATOM 107 N ILE A 39 20.089 56.010 28.868 1.00 13.15 N +ATOM 108 CA ILE A 39 20.679 57.344 28.885 1.00 14.20 C +ATOM 109 C ILE A 39 21.096 57.835 27.500 1.00 17.64 C +ATOM 110 O ILE A 39 21.799 57.134 26.782 1.00 20.58 O +ATOM 111 CB ILE A 39 21.925 57.356 29.806 1.00 14.15 C +ATOM 112 CG1 ILE A 39 21.524 56.990 31.235 1.00 11.72 C +ATOM 113 CG2 ILE A 39 22.636 58.708 29.762 1.00 17.13 C +ATOM 114 CD1 ILE A 39 20.586 57.962 31.887 1.00 15.78 C +ATOM 115 N PRO A 40 20.676 59.056 27.129 1.00 20.79 N +ATOM 116 CA PRO A 40 21.097 59.579 25.830 1.00 20.64 C +ATOM 117 C PRO A 40 22.603 59.773 25.779 1.00 16.15 C +ATOM 118 O PRO A 40 23.255 60.137 26.768 1.00 16.55 O +ATOM 119 CB PRO A 40 20.376 60.928 25.736 1.00 17.42 C +ATOM 120 CG PRO A 40 19.311 60.878 26.770 1.00 17.83 C +ATOM 121 CD PRO A 40 19.859 60.031 27.868 1.00 20.72 C +ATOM 122 N LEU A 41 23.160 59.492 24.612 1.00 17.72 N +ATOM 123 CA LEU A 41 24.564 59.740 24.341 1.00 17.45 C +ATOM 124 C LEU A 41 24.882 61.162 24.782 1.00 18.11 C +ATOM 125 O LEU A 41 24.117 62.091 24.497 1.00 22.51 O +ATOM 126 CB LEU A 41 24.800 59.576 22.843 1.00 17.48 C +ATOM 127 CG LEU A 41 26.230 59.417 22.341 1.00 22.94 C +ATOM 128 CD1 LEU A 41 26.825 58.107 22.813 1.00 19.22 C +ATOM 129 CD2 LEU A 41 26.247 59.518 20.819 1.00 28.82 C +ATOM 130 N GLY A 42 25.983 61.341 25.508 1.00 16.38 N +ATOM 131 CA GLY A 42 26.406 62.679 25.900 1.00 13.88 C +ATOM 132 C GLY A 42 25.796 63.190 27.194 1.00 17.65 C +ATOM 133 O GLY A 42 26.249 64.187 27.744 1.00 20.13 O +ATOM 134 N SER A 43 24.757 62.513 27.676 1.00 19.25 N +ATOM 135 CA SER A 43 24.119 62.887 28.931 1.00 15.14 C +ATOM 136 C SER A 43 24.887 62.288 30.101 1.00 16.74 C +ATOM 137 O SER A 43 25.736 61.413 29.929 1.00 16.75 O +ATOM 138 CB SER A 43 22.673 62.389 28.975 1.00 14.18 C +ATOM 139 OG SER A 43 21.790 63.337 28.429 1.00 23.70 O +ATOM 140 N HIS A 44 24.582 62.757 31.300 1.00 14.25 N +ATOM 141 CA HIS A 44 25.208 62.193 32.485 1.00 16.09 C +ATOM 142 C HIS A 44 24.333 61.105 33.103 1.00 18.08 C +ATOM 143 O HIS A 44 23.107 61.054 32.900 1.00 17.05 O +ATOM 144 CB HIS A 44 25.453 63.281 33.528 1.00 13.62 C +ATOM 145 CG HIS A 44 24.228 63.633 34.313 1.00 25.23 C +ATOM 146 ND1 HIS A 44 23.282 64.530 33.856 1.00 27.99 N +ATOM 147 CD2 HIS A 44 23.777 63.186 35.508 1.00 29.44 C +ATOM 148 CE1 HIS A 44 22.308 64.627 34.742 1.00 31.61 C +ATOM 149 NE2 HIS A 44 22.583 63.822 35.755 1.00 32.95 N +ATOM 150 N VAL A 45 24.974 60.226 33.861 1.00 15.46 N +ATOM 151 CA VAL A 45 24.245 59.351 34.750 1.00 13.75 C +ATOM 152 C VAL A 45 24.999 59.350 36.076 1.00 13.09 C +ATOM 153 O VAL A 45 26.224 59.513 36.099 1.00 10.54 O +ATOM 154 CB VAL A 45 24.034 57.926 34.142 1.00 12.81 C +ATOM 155 CG1 VAL A 45 25.372 57.255 33.798 1.00 11.76 C +ATOM 156 CG2 VAL A 45 23.181 57.062 35.077 1.00 13.23 C +ATOM 157 N THR A 46 24.267 59.227 37.175 1.00 12.04 N +ATOM 158 CA THR A 46 24.880 59.090 38.487 1.00 13.08 C +ATOM 159 C THR A 46 24.432 57.762 39.089 1.00 15.89 C +ATOM 160 O THR A 46 23.219 57.464 39.146 1.00 11.88 O +ATOM 161 CB THR A 46 24.457 60.220 39.438 1.00 12.39 C +ATOM 162 OG1 THR A 46 24.838 61.492 38.890 1.00 15.85 O +ATOM 163 CG2 THR A 46 25.098 60.024 40.827 1.00 14.45 C +ATOM 164 N PHE A 47 25.414 56.959 39.498 1.00 12.81 N +ATOM 165 CA PHE A 47 25.156 55.721 40.228 1.00 10.47 C +ATOM 166 C PHE A 47 25.240 55.991 41.728 1.00 12.87 C +ATOM 167 O PHE A 47 26.205 56.608 42.213 1.00 11.29 O +ATOM 168 CB PHE A 47 26.163 54.646 39.839 1.00 11.14 C +ATOM 169 CG PHE A 47 26.086 54.264 38.396 1.00 12.50 C +ATOM 170 CD1 PHE A 47 26.997 54.767 37.485 1.00 11.79 C +ATOM 171 CD2 PHE A 47 25.063 53.436 37.947 1.00 17.72 C +ATOM 172 CE1 PHE A 47 26.908 54.424 36.153 1.00 17.23 C +ATOM 173 CE2 PHE A 47 24.966 53.086 36.613 1.00 21.46 C +ATOM 174 CZ PHE A 47 25.888 53.580 35.716 1.00 20.93 C +ATOM 175 N VAL A 48 24.206 55.563 42.444 1.00 9.22 N +ATOM 176 CA VAL A 48 24.170 55.703 43.889 1.00 9.05 C +ATOM 177 C VAL A 48 24.258 54.331 44.512 1.00 9.93 C +ATOM 178 O VAL A 48 23.420 53.469 44.255 1.00 11.48 O +ATOM 179 CB VAL A 48 22.898 56.407 44.391 1.00 11.69 C +ATOM 180 CG1 VAL A 48 23.004 56.647 45.879 1.00 7.76 C +ATOM 181 CG2 VAL A 48 22.670 57.714 43.640 1.00 14.86 C +ATOM 182 N CYS A 49 25.313 54.132 45.297 1.00 11.17 N +ATOM 183 CA CYS A 49 25.517 52.919 46.063 1.00 8.17 C +ATOM 184 C CYS A 49 25.077 53.169 47.496 1.00 7.55 C +ATOM 185 O CYS A 49 25.439 54.170 48.091 1.00 11.13 O +ATOM 186 CB CYS A 49 26.989 52.520 46.051 1.00 10.53 C +ATOM 187 SG CYS A 49 27.675 52.107 44.413 1.00 17.81 S +ATOM 188 N ARG A 50 24.294 52.250 48.036 1.00 8.94 N +ATOM 189 CA ARG A 50 23.788 52.362 49.402 1.00 8.63 C +ATOM 190 C ARG A 50 24.019 51.066 50.158 1.00 11.74 C +ATOM 191 O ARG A 50 23.901 49.954 49.608 1.00 11.18 O +ATOM 192 CB ARG A 50 22.300 52.721 49.417 1.00 8.62 C +ATOM 193 CG ARG A 50 21.965 54.026 48.728 1.00 9.60 C +ATOM 194 CD ARG A 50 20.475 54.232 48.720 1.00 11.58 C +ATOM 195 NE ARG A 50 20.115 55.577 48.278 1.00 17.39 N +ATOM 196 CZ ARG A 50 19.794 55.913 47.033 1.00 15.41 C +ATOM 197 NH1 ARG A 50 19.775 55.000 46.071 1.00 14.72 N +ATOM 198 NH2 ARG A 50 19.494 57.174 46.754 1.00 22.28 N +ATOM 199 N GLY A 51 24.326 51.207 51.436 1.00 10.33 N +ATOM 200 CA GLY A 51 24.586 50.064 52.276 1.00 12.21 C +ATOM 201 C GLY A 51 24.296 50.407 53.718 1.00 15.59 C +ATOM 202 O GLY A 51 23.565 51.373 54.006 1.00 11.39 O +ATOM 203 N PRO A 52 24.866 49.611 54.636 1.00 15.98 N +ATOM 204 CA PRO A 52 24.633 49.836 56.063 1.00 14.48 C +ATOM 205 C PRO A 52 25.430 51.038 56.562 1.00 16.03 C +ATOM 206 O PRO A 52 26.244 51.608 55.833 1.00 15.58 O +ATOM 207 CB PRO A 52 25.133 48.534 56.703 1.00 13.07 C +ATOM 208 CG PRO A 52 26.148 48.013 55.760 1.00 9.25 C +ATOM 209 CD PRO A 52 25.801 48.496 54.382 1.00 11.00 C +ATOM 210 N VAL A 53 25.195 51.430 57.802 1.00 16.90 N +ATOM 211 CA VAL A 53 26.004 52.477 58.381 1.00 13.60 C +ATOM 212 C VAL A 53 27.423 51.914 58.573 1.00 14.60 C +ATOM 213 O VAL A 53 27.611 50.696 58.703 1.00 13.44 O +ATOM 214 CB VAL A 53 25.355 53.028 59.667 1.00 15.90 C +ATOM 215 CG1 VAL A 53 24.950 51.888 60.590 1.00 18.47 C +ATOM 216 CG2 VAL A 53 26.277 54.030 60.356 1.00 18.91 C +ATOM 217 N GLY A 54 28.429 52.783 58.516 1.00 17.54 N +ATOM 218 CA GLY A 54 29.794 52.359 58.782 1.00 16.24 C +ATOM 219 C GLY A 54 30.599 51.850 57.590 1.00 11.49 C +ATOM 220 O GLY A 54 31.690 51.302 57.761 1.00 14.79 O +ATOM 221 N VAL A 55 30.083 52.015 56.380 1.00 12.47 N +ATOM 222 CA VAL A 55 30.880 51.674 55.202 1.00 12.91 C +ATOM 223 C VAL A 55 32.093 52.612 55.088 1.00 13.22 C +ATOM 224 O VAL A 55 31.973 53.828 55.237 1.00 10.94 O +ATOM 225 CB VAL A 55 30.055 51.738 53.890 1.00 11.96 C +ATOM 226 CG1 VAL A 55 30.978 51.623 52.691 1.00 5.43 C +ATOM 227 CG2 VAL A 55 28.965 50.647 53.865 1.00 13.92 C +ATOM 228 N GLN A 56 33.260 52.044 54.815 1.00 13.36 N +ATOM 229 CA GLN A 56 34.471 52.847 54.705 1.00 13.09 C +ATOM 230 C GLN A 56 34.771 53.193 53.241 1.00 11.40 C +ATOM 231 O GLN A 56 35.233 54.293 52.925 1.00 12.66 O +ATOM 232 CB GLN A 56 35.655 52.117 55.354 1.00 14.18 C +ATOM 233 CG GLN A 56 35.498 51.867 56.864 1.00 17.98 C +ATOM 234 CD GLN A 56 35.658 53.127 57.753 1.00 21.68 C +ATOM 235 OE1 GLN A 56 36.101 54.186 57.305 1.00 24.55 O +ATOM 236 NE2 GLN A 56 35.308 52.992 59.019 1.00 24.74 N +ATOM 237 N THR A 57 34.512 52.237 52.352 1.00 15.70 N +ATOM 238 CA THR A 57 34.747 52.411 50.917 1.00 12.61 C +ATOM 239 C THR A 57 33.585 51.823 50.127 1.00 11.75 C +ATOM 240 O THR A 57 33.184 50.681 50.377 1.00 10.35 O +ATOM 241 CB THR A 57 36.060 51.716 50.431 1.00 9.30 C +ATOM 242 OG1 THR A 57 37.204 52.354 51.002 1.00 9.62 O +ATOM 243 CG2 THR A 57 36.168 51.778 48.897 1.00 10.92 C +ATOM 244 N PHE A 58 33.060 52.604 49.181 1.00 7.62 N +ATOM 245 CA PHE A 58 32.187 52.078 48.131 1.00 7.68 C +ATOM 246 C PHE A 58 32.968 51.946 46.822 1.00 6.89 C +ATOM 247 O PHE A 58 33.784 52.815 46.484 1.00 5.46 O +ATOM 248 CB PHE A 58 30.960 52.966 47.903 1.00 9.48 C +ATOM 249 CG PHE A 58 29.847 52.754 48.903 1.00 10.94 C +ATOM 250 CD1 PHE A 58 28.961 51.675 48.769 1.00 11.12 C +ATOM 251 CD2 PHE A 58 29.653 53.656 49.959 1.00 10.52 C +ATOM 252 CE1 PHE A 58 27.914 51.494 49.697 1.00 8.82 C +ATOM 253 CE2 PHE A 58 28.613 53.483 50.885 1.00 8.46 C +ATOM 254 CZ PHE A 58 27.745 52.394 50.749 1.00 7.81 C +ATOM 255 N ARG A 59 32.708 50.855 46.099 1.00 7.85 N +ATOM 256 CA ARG A 59 33.344 50.589 44.805 1.00 8.68 C +ATOM 257 C ARG A 59 32.276 50.344 43.746 1.00 9.66 C +ATOM 258 O ARG A 59 31.375 49.513 43.922 1.00 11.11 O +ATOM 259 CB ARG A 59 34.298 49.385 44.900 1.00 8.40 C +ATOM 260 CG ARG A 59 34.671 48.771 43.545 1.00 8.10 C +ATOM 261 CD ARG A 59 35.778 47.733 43.658 1.00 9.91 C +ATOM 262 NE ARG A 59 36.888 48.201 44.504 1.00 18.21 N +ATOM 263 CZ ARG A 59 37.993 47.497 44.767 1.00 17.80 C +ATOM 264 NH1 ARG A 59 38.139 46.286 44.242 1.00 19.53 N +ATOM 265 NH2 ARG A 59 38.947 47.996 45.553 1.00 11.50 N +ATOM 266 N LEU A 60 32.358 51.092 42.656 1.00 3.78 N +ATOM 267 CA LEU A 60 31.484 50.860 41.526 1.00 7.68 C +ATOM 268 C LEU A 60 32.236 49.933 40.601 1.00 8.53 C +ATOM 269 O LEU A 60 33.322 50.262 40.167 1.00 10.82 O +ATOM 270 CB LEU A 60 31.190 52.172 40.801 1.00 9.01 C +ATOM 271 CG LEU A 60 30.374 52.072 39.511 1.00 5.08 C +ATOM 272 CD1 LEU A 60 28.879 51.798 39.836 1.00 8.05 C +ATOM 273 CD2 LEU A 60 30.545 53.346 38.703 1.00 12.47 C +ATOM 274 N GLU A 61 31.650 48.780 40.298 1.00 10.27 N +ATOM 275 CA GLU A 61 32.266 47.816 39.401 1.00 10.67 C +ATOM 276 C GLU A 61 31.691 47.923 38.010 1.00 9.60 C +ATOM 277 O GLU A 61 30.486 47.725 37.802 1.00 8.58 O +ATOM 278 CB GLU A 61 32.095 46.395 39.919 1.00 9.55 C +ATOM 279 CG GLU A 61 32.813 46.138 41.204 1.00 9.74 C +ATOM 280 CD GLU A 61 32.549 44.758 41.679 1.00 22.11 C +ATOM 281 OE1 GLU A 61 31.433 44.277 41.396 1.00 23.94 O +ATOM 282 OE2 GLU A 61 33.446 44.161 42.310 1.00 27.03 O +ATOM 283 N ARG A 62 32.562 48.260 37.060 1.00 9.28 N +ATOM 284 CA ARG A 62 32.172 48.368 35.654 1.00 9.40 C +ATOM 285 C ARG A 62 32.588 47.093 34.924 1.00 12.45 C +ATOM 286 O ARG A 62 33.758 46.921 34.561 1.00 10.98 O +ATOM 287 CB ARG A 62 32.828 49.575 34.989 1.00 8.12 C +ATOM 288 CG ARG A 62 32.838 50.849 35.800 1.00 8.54 C +ATOM 289 CD ARG A 62 33.241 51.980 34.862 1.00 14.90 C +ATOM 290 NE ARG A 62 33.341 53.276 35.508 1.00 15.21 N +ATOM 291 CZ ARG A 62 33.339 54.422 34.838 1.00 12.05 C +ATOM 292 NH1 ARG A 62 33.234 54.391 33.514 1.00 12.09 N +ATOM 293 NH2 ARG A 62 33.439 55.588 35.479 1.00 12.05 N +ATOM 294 N GLU A 63 31.629 46.186 34.743 1.00 7.78 N +ATOM 295 CA GLU A 63 31.935 44.853 34.230 1.00 10.53 C +ATOM 296 C GLU A 63 32.560 44.839 32.831 1.00 12.11 C +ATOM 297 O GLU A 63 33.498 44.086 32.588 1.00 11.71 O +ATOM 298 CB GLU A 63 30.707 43.948 34.237 1.00 7.74 C +ATOM 299 CG GLU A 63 31.057 42.526 33.785 1.00 10.50 C +ATOM 300 CD GLU A 63 29.857 41.623 33.667 1.00 15.65 C +ATOM 301 OE1 GLU A 63 28.945 41.733 34.502 1.00 13.20 O +ATOM 302 OE2 GLU A 63 29.837 40.792 32.739 1.00 19.45 O +ATOM 303 N SER A 64 32.051 45.666 31.919 1.00 14.92 N +ATOM 304 CA SER A 64 32.420 45.521 30.506 1.00 19.48 C +ATOM 305 C SER A 64 33.947 45.505 30.241 1.00 22.52 C +ATOM 306 O SER A 64 34.412 44.711 29.423 1.00 23.21 O +ATOM 307 CB SER A 64 31.664 46.517 29.597 1.00 23.48 C +ATOM 308 OG SER A 64 32.213 47.821 29.667 1.00 31.24 O +ATOM 309 N ARG A 65 34.726 46.346 30.929 1.00 19.03 N +ATOM 310 CA ARG A 65 36.183 46.322 30.734 1.00 23.18 C +ATOM 311 C ARG A 65 36.944 45.976 32.010 1.00 24.37 C +ATOM 312 O ARG A 65 38.155 46.171 32.101 1.00 19.81 O +ATOM 313 CB ARG A 65 36.704 47.631 30.121 1.00 26.27 C +ATOM 314 CG ARG A 65 36.510 47.731 28.614 1.00 26.88 C +ATOM 315 CD ARG A 65 37.038 46.498 27.911 1.00 28.07 C +ATOM 316 NE ARG A 65 36.726 46.508 26.483 1.00 40.33 N +ATOM 317 CZ ARG A 65 35.528 46.228 25.963 1.00 47.36 C +ATOM 318 NH1 ARG A 65 35.349 46.261 24.649 1.00 46.66 N +ATOM 319 NH2 ARG A 65 34.504 45.920 26.749 1.00 50.93 N +ATOM 320 N SER A 66 36.219 45.443 32.985 1.00 20.79 N +ATOM 321 CA SER A 66 36.822 45.019 34.239 1.00 21.24 C +ATOM 322 C SER A 66 37.578 46.160 34.933 1.00 19.38 C +ATOM 323 O SER A 66 38.738 46.012 35.324 1.00 18.20 O +ATOM 324 CB SER A 66 37.749 43.828 34.005 1.00 21.94 C +ATOM 325 OG SER A 66 37.036 42.760 33.417 1.00 22.41 O +ATOM 326 N THR A 67 36.917 47.302 35.073 1.00 13.48 N +ATOM 327 CA THR A 67 37.500 48.407 35.815 1.00 12.32 C +ATOM 328 C THR A 67 36.537 48.780 36.952 1.00 11.10 C +ATOM 329 O THR A 67 35.417 48.230 37.047 1.00 10.38 O +ATOM 330 CB THR A 67 37.802 49.605 34.890 1.00 9.30 C +ATOM 331 OG1 THR A 67 36.586 50.046 34.270 1.00 8.93 O +ATOM 332 CG2 THR A 67 38.842 49.220 33.806 1.00 8.55 C +ATOM 333 N TYR A 68 36.974 49.683 37.823 1.00 7.41 N +ATOM 334 CA TYR A 68 36.154 50.089 38.953 1.00 5.13 C +ATOM 335 C TYR A 68 36.511 51.493 39.396 1.00 8.98 C +ATOM 336 O TYR A 68 37.531 52.061 38.963 1.00 7.36 O +ATOM 337 CB TYR A 68 36.323 49.119 40.120 1.00 7.46 C +ATOM 338 CG TYR A 68 37.715 49.122 40.713 1.00 10.44 C +ATOM 339 CD1 TYR A 68 38.704 48.290 40.196 1.00 12.67 C +ATOM 340 CD2 TYR A 68 38.037 49.952 41.787 1.00 12.51 C +ATOM 341 CE1 TYR A 68 39.987 48.285 40.726 1.00 15.33 C +ATOM 342 CE2 TYR A 68 39.310 49.945 42.341 1.00 11.74 C +ATOM 343 CZ TYR A 68 40.282 49.111 41.801 1.00 14.18 C +ATOM 344 OH TYR A 68 41.553 49.095 42.332 1.00 18.57 O +ATOM 345 N ASN A 69 35.647 52.058 40.233 1.00 5.72 N +ATOM 346 CA ASN A 69 35.897 53.341 40.884 1.00 8.07 C +ATOM 347 C ASN A 69 35.675 53.163 42.366 1.00 8.82 C +ATOM 348 O ASN A 69 34.672 52.575 42.783 1.00 9.31 O +ATOM 349 CB ASN A 69 34.943 54.442 40.395 1.00 8.33 C +ATOM 350 CG ASN A 69 34.996 54.622 38.916 1.00 17.18 C +ATOM 351 OD1 ASN A 69 34.203 54.035 38.198 1.00 21.16 O +ATOM 352 ND2 ASN A 69 35.958 55.408 38.439 1.00 15.98 N +ATOM 353 N ASP A 70 36.617 53.666 43.151 1.00 5.99 N +ATOM 354 CA ASP A 70 36.539 53.608 44.608 1.00 8.86 C +ATOM 355 C ASP A 70 36.272 54.996 45.165 1.00 11.54 C +ATOM 356 O ASP A 70 36.749 56.002 44.620 1.00 13.18 O +ATOM 357 CB ASP A 70 37.869 53.116 45.180 1.00 13.13 C +ATOM 358 CG ASP A 70 37.946 51.616 45.269 1.00 10.47 C +ATOM 359 OD1 ASP A 70 37.010 50.938 44.830 1.00 11.76 O +ATOM 360 OD2 ASP A 70 38.942 51.112 45.807 1.00 16.91 O +ATOM 361 N THR A 71 35.543 55.061 46.272 1.00 10.61 N +ATOM 362 CA THR A 71 35.410 56.325 46.990 1.00 10.77 C +ATOM 363 C THR A 71 35.292 56.102 48.485 1.00 9.95 C +ATOM 364 O THR A 71 34.588 55.183 48.933 1.00 10.67 O +ATOM 365 CB THR A 71 34.199 57.179 46.499 1.00 10.68 C +ATOM 366 OG1 THR A 71 34.251 58.473 47.116 1.00 13.01 O +ATOM 367 CG2 THR A 71 32.881 56.510 46.842 1.00 7.42 C +ATOM 368 N GLU A 72 35.976 56.962 49.246 1.00 9.56 N +ATOM 369 CA GLU A 72 35.849 56.994 50.708 1.00 11.67 C +ATOM 370 C GLU A 72 34.914 58.121 51.133 1.00 7.15 C +ATOM 371 O GLU A 72 34.701 58.349 52.313 1.00 10.43 O +ATOM 372 CB GLU A 72 37.231 57.154 51.367 1.00 12.78 C +ATOM 373 CG GLU A 72 38.104 55.887 51.336 1.00 20.02 C +ATOM 374 CD GLU A 72 38.470 55.439 49.918 1.00 36.54 C +ATOM 375 OE1 GLU A 72 38.951 56.288 49.138 1.00 47.69 O +ATOM 376 OE2 GLU A 72 38.280 54.248 49.569 1.00 37.26 O +ATOM 377 N ASP A 73 34.355 58.825 50.156 1.00 8.55 N +ATOM 378 CA ASP A 73 33.467 59.947 50.440 1.00 9.81 C +ATOM 379 C ASP A 73 32.050 59.457 50.768 1.00 7.50 C +ATOM 380 O ASP A 73 31.112 59.593 49.983 1.00 12.94 O +ATOM 381 CB ASP A 73 33.465 60.940 49.278 1.00 9.88 C +ATOM 382 CG ASP A 73 32.644 62.205 49.582 1.00 13.32 C +ATOM 383 OD1 ASP A 73 32.458 62.539 50.766 1.00 11.32 O +ATOM 384 OD2 ASP A 73 32.184 62.861 48.628 1.00 15.11 O +ATOM 385 N VAL A 74 31.928 58.866 51.944 1.00 11.09 N +ATOM 386 CA VAL A 74 30.715 58.191 52.370 1.00 10.35 C +ATOM 387 C VAL A 74 29.922 59.076 53.331 1.00 8.66 C +ATOM 388 O VAL A 74 30.491 59.727 54.197 1.00 9.31 O +ATOM 389 CB VAL A 74 31.080 56.868 53.062 1.00 8.55 C +ATOM 390 CG1 VAL A 74 29.853 56.206 53.633 1.00 9.07 C +ATOM 391 CG2 VAL A 74 31.816 55.939 52.056 1.00 10.83 C +ATOM 392 N SER A 75 28.611 59.129 53.155 1.00 7.16 N +ATOM 393 CA SER A 75 27.771 59.847 54.117 1.00 7.30 C +ATOM 394 C SER A 75 26.432 59.132 54.342 1.00 10.92 C +ATOM 395 O SER A 75 26.121 58.149 53.667 1.00 12.47 O +ATOM 396 CB SER A 75 27.583 61.316 53.699 1.00 10.38 C +ATOM 397 OG SER A 75 26.952 61.406 52.437 1.00 13.20 O +ATOM 398 N GLN A 76 25.653 59.612 55.301 1.00 8.85 N +ATOM 399 CA GLN A 76 24.417 58.927 55.669 1.00 8.48 C +ATOM 400 C GLN A 76 23.164 59.684 55.269 1.00 10.32 C +ATOM 401 O GLN A 76 23.060 60.893 55.479 1.00 12.10 O +ATOM 402 CB GLN A 76 24.378 58.658 57.169 1.00 8.52 C +ATOM 403 CG GLN A 76 25.589 57.926 57.682 1.00 10.86 C +ATOM 404 CD GLN A 76 25.422 57.514 59.132 1.00 18.54 C +ATOM 405 OE1 GLN A 76 26.344 57.637 59.928 1.00 21.91 O +ATOM 406 NE2 GLN A 76 24.234 57.030 59.481 1.00 22.59 N +ATOM 407 N ALA A 77 22.201 58.949 54.719 1.00 13.15 N +ATOM 408 CA ALA A 77 20.855 59.473 54.513 1.00 14.66 C +ATOM 409 C ALA A 77 20.007 59.308 55.787 1.00 15.79 C +ATOM 410 O ALA A 77 19.064 60.068 56.020 1.00 15.97 O +ATOM 411 CB ALA A 77 20.194 58.798 53.321 1.00 15.75 C +ATOM 412 N SER A 78 20.367 58.327 56.613 1.00 13.28 N +ATOM 413 CA SER A 78 19.668 58.061 57.865 1.00 13.74 C +ATOM 414 C SER A 78 20.598 57.308 58.819 1.00 15.58 C +ATOM 415 O SER A 78 21.683 56.903 58.427 1.00 13.91 O +ATOM 416 CB SER A 78 18.385 57.251 57.602 1.00 18.54 C +ATOM 417 OG SER A 78 18.671 55.984 57.031 1.00 22.19 O +ATOM 418 N PRO A 79 20.172 57.098 60.074 1.00 17.23 N +ATOM 419 CA PRO A 79 21.021 56.378 61.037 1.00 18.90 C +ATOM 420 C PRO A 79 21.435 54.942 60.646 1.00 18.71 C +ATOM 421 O PRO A 79 22.485 54.471 61.083 1.00 25.94 O +ATOM 422 CB PRO A 79 20.153 56.354 62.303 1.00 18.41 C +ATOM 423 CG PRO A 79 19.308 57.578 62.182 1.00 20.06 C +ATOM 424 CD PRO A 79 18.982 57.678 60.722 1.00 17.78 C +ATOM 425 N SER A 80 20.629 54.264 59.842 1.00 11.16 N +ATOM 426 CA SER A 80 20.906 52.878 59.471 1.00 11.79 C +ATOM 427 C SER A 80 21.475 52.708 58.050 1.00 17.84 C +ATOM 428 O SER A 80 21.617 51.590 57.568 1.00 12.99 O +ATOM 429 CB SER A 80 19.627 52.048 59.609 1.00 14.51 C +ATOM 430 OG SER A 80 18.582 52.602 58.809 1.00 19.18 O +ATOM 431 N GLU A 81 21.802 53.810 57.383 1.00 15.95 N +ATOM 432 CA GLU A 81 22.215 53.756 55.985 1.00 14.38 C +ATOM 433 C GLU A 81 23.475 54.584 55.748 1.00 12.74 C +ATOM 434 O GLU A 81 23.710 55.589 56.428 1.00 10.69 O +ATOM 435 CB GLU A 81 21.074 54.273 55.102 1.00 13.39 C +ATOM 436 CG GLU A 81 21.333 54.198 53.596 1.00 9.62 C +ATOM 437 CD GLU A 81 21.785 55.513 52.977 1.00 12.50 C +ATOM 438 OE1 GLU A 81 22.382 56.347 53.684 1.00 15.51 O +ATOM 439 OE2 GLU A 81 21.535 55.712 51.761 1.00 15.93 O +ATOM 440 N SER A 82 24.290 54.159 54.784 1.00 14.25 N +ATOM 441 CA SER A 82 25.314 55.046 54.244 1.00 11.23 C +ATOM 442 C SER A 82 25.333 54.906 52.725 1.00 9.21 C +ATOM 443 O SER A 82 24.746 53.978 52.175 1.00 10.01 O +ATOM 444 CB SER A 82 26.686 54.806 54.888 1.00 13.74 C +ATOM 445 OG SER A 82 27.173 53.511 54.615 1.00 17.16 O +ATOM 446 N GLU A 83 25.967 55.846 52.041 1.00 9.82 N +ATOM 447 CA GLU A 83 25.914 55.856 50.588 1.00 7.94 C +ATOM 448 C GLU A 83 27.058 56.650 49.983 1.00 6.47 C +ATOM 449 O GLU A 83 27.740 57.407 50.680 1.00 8.54 O +ATOM 450 CB GLU A 83 24.581 56.433 50.104 1.00 10.55 C +ATOM 451 CG GLU A 83 24.302 57.853 50.567 1.00 13.76 C +ATOM 452 CD GLU A 83 22.953 58.361 50.086 1.00 18.90 C +ATOM 453 OE1 GLU A 83 21.932 57.746 50.435 1.00 16.77 O +ATOM 454 OE2 GLU A 83 22.916 59.380 49.364 1.00 20.95 O +ATOM 455 N ALA A 84 27.257 56.452 48.687 1.00 10.25 N +ATOM 456 CA ALA A 84 28.262 57.164 47.921 1.00 10.26 C +ATOM 457 C ALA A 84 27.732 57.279 46.498 1.00 11.32 C +ATOM 458 O ALA A 84 26.842 56.521 46.099 1.00 10.20 O +ATOM 459 CB ALA A 84 29.572 56.412 47.932 1.00 10.63 C +ATOM 460 N AARG A 85 28.264 58.231 45.736 0.60 12.56 N +ATOM 461 N BARG A 85 28.307 58.208 45.739 0.40 12.37 N +ATOM 462 CA AARG A 85 27.807 58.464 44.366 0.60 11.89 C +ATOM 463 CA BARG A 85 27.858 58.484 44.381 0.40 12.13 C +ATOM 464 C AARG A 85 28.976 58.449 43.394 0.60 12.31 C +ATOM 465 C BARG A 85 29.008 58.429 43.389 0.40 12.22 C +ATOM 466 O AARG A 85 30.094 58.814 43.758 0.60 12.53 O +ATOM 467 O BARG A 85 30.163 58.723 43.736 0.40 13.03 O +ATOM 468 CB AARG A 85 27.049 59.791 44.265 0.60 13.54 C +ATOM 469 CB BARG A 85 27.140 59.842 44.324 0.40 13.21 C +ATOM 470 CG AARG A 85 25.739 59.779 45.010 0.60 17.78 C +ATOM 471 CG BARG A 85 25.837 59.843 45.100 0.40 17.18 C +ATOM 472 CD AARG A 85 25.007 61.117 44.946 0.60 19.50 C +ATOM 473 CD BARG A 85 25.172 61.212 45.135 0.40 19.21 C +ATOM 474 NE AARG A 85 23.616 60.925 45.343 0.60 21.85 N +ATOM 475 NE BARG A 85 24.061 61.178 46.093 0.40 22.87 N +ATOM 476 CZ AARG A 85 23.216 60.759 46.603 0.60 22.47 C +ATOM 477 CZ BARG A 85 22.784 61.015 45.745 0.40 23.20 C +ATOM 478 NH1AARG A 85 24.099 60.780 47.602 0.60 16.37 N +ATOM 479 NH1BARG A 85 22.445 60.904 44.461 0.40 21.48 N +ATOM 480 NH2AARG A 85 21.931 60.578 46.869 0.60 24.04 N +ATOM 481 NH2BARG A 85 21.840 60.984 46.672 0.40 25.13 N +ATOM 482 N PHE A 86 28.692 58.029 42.161 1.00 9.52 N +ATOM 483 CA PHE A 86 29.671 57.973 41.081 1.00 11.53 C +ATOM 484 C PHE A 86 28.978 58.546 39.832 1.00 14.88 C +ATOM 485 O PHE A 86 27.965 58.015 39.374 1.00 11.44 O +ATOM 486 CB PHE A 86 30.111 56.517 40.797 1.00 12.14 C +ATOM 487 CG PHE A 86 30.695 55.785 41.999 1.00 10.39 C +ATOM 488 CD1 PHE A 86 29.863 55.123 42.909 1.00 9.16 C +ATOM 489 CD2 PHE A 86 32.077 55.717 42.196 1.00 11.54 C +ATOM 490 CE1 PHE A 86 30.397 54.435 43.998 1.00 11.38 C +ATOM 491 CE2 PHE A 86 32.607 55.034 43.280 1.00 9.76 C +ATOM 492 CZ PHE A 86 31.762 54.399 44.186 1.00 8.15 C +ATOM 493 N ARG A 87 29.533 59.613 39.273 1.00 14.95 N +ATOM 494 CA ARG A 87 28.930 60.268 38.111 1.00 16.72 C +ATOM 495 C ARG A 87 29.763 60.034 36.850 1.00 18.20 C +ATOM 496 O ARG A 87 30.996 60.113 36.883 1.00 17.22 O +ATOM 497 CB ARG A 87 28.784 61.770 38.374 1.00 18.83 C +ATOM 498 CG ARG A 87 28.329 62.606 37.181 1.00 19.07 C +ATOM 499 CD ARG A 87 28.310 64.087 37.533 1.00 25.16 C +ATOM 500 NE ARG A 87 27.806 64.904 36.435 1.00 30.44 N +ATOM 501 CZ ARG A 87 26.604 65.476 36.405 1.00 34.36 C +ATOM 502 NH1 ARG A 87 25.762 65.339 37.429 1.00 33.05 N +ATOM 503 NH2 ARG A 87 26.250 66.197 35.346 1.00 31.90 N +ATOM 504 N ILE A 88 29.087 59.697 35.751 1.00 15.06 N +ATOM 505 CA ILE A 88 29.691 59.714 34.424 1.00 13.46 C +ATOM 506 C ILE A 88 29.111 60.951 33.741 1.00 16.36 C +ATOM 507 O ILE A 88 27.893 61.029 33.505 1.00 14.05 O +ATOM 508 CB ILE A 88 29.362 58.438 33.608 1.00 8.76 C +ATOM 509 CG1 ILE A 88 29.964 57.204 34.301 1.00 11.86 C +ATOM 510 CG2 ILE A 88 29.880 58.568 32.171 1.00 6.90 C +ATOM 511 CD1 ILE A 88 29.514 55.871 33.695 1.00 13.67 C +ATOM 512 N ASP A 89 29.972 61.929 33.455 1.00 15.50 N +ATOM 513 CA ASP A 89 29.501 63.241 32.996 1.00 20.03 C +ATOM 514 C ASP A 89 28.887 63.198 31.607 1.00 16.91 C +ATOM 515 O ASP A 89 27.850 63.799 31.365 1.00 17.02 O +ATOM 516 CB ASP A 89 30.622 64.288 33.048 1.00 26.93 C +ATOM 517 CG ASP A 89 30.934 64.745 34.464 1.00 38.09 C +ATOM 518 OD1 ASP A 89 30.022 64.712 35.322 1.00 42.05 O +ATOM 519 OD2 ASP A 89 32.092 65.145 34.717 1.00 42.91 O +ATOM 520 N SER A 90 29.537 62.484 30.700 1.00 18.88 N +ATOM 521 CA SER A 90 29.085 62.401 29.321 1.00 15.84 C +ATOM 522 C SER A 90 29.159 60.953 28.851 1.00 17.02 C +ATOM 523 O SER A 90 30.223 60.475 28.437 1.00 15.52 O +ATOM 524 CB SER A 90 29.964 63.280 28.432 1.00 18.17 C +ATOM 525 OG SER A 90 29.593 63.164 27.069 1.00 20.64 O +ATOM 526 N VAL A 91 28.025 60.264 28.915 1.00 14.53 N +ATOM 527 CA VAL A 91 27.951 58.856 28.546 1.00 16.99 C +ATOM 528 C VAL A 91 28.317 58.640 27.067 1.00 16.03 C +ATOM 529 O VAL A 91 27.901 59.405 26.197 1.00 14.88 O +ATOM 530 CB VAL A 91 26.538 58.292 28.854 1.00 18.63 C +ATOM 531 CG1 VAL A 91 26.312 56.949 28.177 1.00 20.95 C +ATOM 532 CG2 VAL A 91 26.321 58.195 30.375 1.00 11.46 C +ATOM 533 N SER A 92 29.127 57.619 26.795 1.00 16.52 N +ATOM 534 CA SER A 92 29.395 57.205 25.414 1.00 19.97 C +ATOM 535 C SER A 92 28.906 55.775 25.237 1.00 17.72 C +ATOM 536 O SER A 92 28.523 55.128 26.211 1.00 15.15 O +ATOM 537 CB SER A 92 30.886 57.309 25.088 1.00 25.72 C +ATOM 538 OG SER A 92 31.623 56.366 25.841 1.00 26.34 O +ATOM 539 N GLU A 93 28.920 55.271 24.008 1.00 16.92 N +ATOM 540 CA GLU A 93 28.500 53.886 23.772 1.00 17.53 C +ATOM 541 C GLU A 93 29.333 52.870 24.579 1.00 15.77 C +ATOM 542 O GLU A 93 28.827 51.808 24.974 1.00 16.03 O +ATOM 543 CB GLU A 93 28.522 53.540 22.272 1.00 18.01 C +ATOM 544 CG GLU A 93 27.651 54.447 21.390 1.00 25.66 C +ATOM 545 CD GLU A 93 26.149 54.187 21.532 1.00 32.92 C +ATOM 546 OE1 GLU A 93 25.755 53.124 22.061 1.00 34.02 O +ATOM 547 OE2 GLU A 93 25.357 55.049 21.102 1.00 38.86 O +ATOM 548 N GLY A 94 30.605 53.195 24.804 1.00 12.09 N +ATOM 549 CA GLY A 94 31.474 52.353 25.604 1.00 13.61 C +ATOM 550 C GLY A 94 31.047 52.212 27.057 1.00 14.13 C +ATOM 551 O GLY A 94 31.487 51.285 27.743 1.00 20.51 O +ATOM 552 N ASN A 95 30.193 53.115 27.537 1.00 14.20 N +ATOM 553 CA ASN A 95 29.675 53.016 28.912 1.00 14.19 C +ATOM 554 C ASN A 95 28.508 52.029 29.112 1.00 15.41 C +ATOM 555 O ASN A 95 28.130 51.730 30.249 1.00 15.84 O +ATOM 556 CB ASN A 95 29.275 54.387 29.467 1.00 15.62 C +ATOM 557 CG ASN A 95 30.463 55.290 29.709 1.00 12.69 C +ATOM 558 OD1 ASN A 95 30.467 56.433 29.283 1.00 13.72 O +ATOM 559 ND2 ASN A 95 31.478 54.779 30.398 1.00 14.93 N +ATOM 560 N ALA A 96 27.932 51.549 28.013 1.00 14.87 N +ATOM 561 CA ALA A 96 26.893 50.532 28.094 1.00 14.85 C +ATOM 562 C ALA A 96 27.432 49.227 28.717 1.00 16.62 C +ATOM 563 O ALA A 96 28.576 48.820 28.477 1.00 11.88 O +ATOM 564 CB ALA A 96 26.287 50.274 26.717 1.00 10.46 C +ATOM 565 N GLY A 97 26.604 48.590 29.538 1.00 13.47 N +ATOM 566 CA GLY A 97 26.975 47.336 30.143 1.00 13.69 C +ATOM 567 C GLY A 97 26.586 47.275 31.601 1.00 10.88 C +ATOM 568 O GLY A 97 25.941 48.190 32.112 1.00 12.16 O +ATOM 569 N PRO A 98 26.958 46.174 32.268 1.00 10.69 N +ATOM 570 CA PRO A 98 26.565 45.943 33.660 1.00 9.41 C +ATOM 571 C PRO A 98 27.388 46.762 34.651 1.00 5.37 C +ATOM 572 O PRO A 98 28.587 46.912 34.454 1.00 9.69 O +ATOM 573 CB PRO A 98 26.810 44.433 33.860 1.00 10.11 C +ATOM 574 CG PRO A 98 27.071 43.872 32.465 1.00 11.59 C +ATOM 575 CD PRO A 98 27.656 45.012 31.691 1.00 12.84 C +ATOM 576 N TYR A 99 26.718 47.280 35.679 1.00 5.92 N +ATOM 577 CA TYR A 99 27.332 47.994 36.802 1.00 8.62 C +ATOM 578 C TYR A 99 26.835 47.386 38.121 1.00 12.21 C +ATOM 579 O TYR A 99 25.649 47.051 38.252 1.00 8.78 O +ATOM 580 CB TYR A 99 26.973 49.497 36.777 1.00 8.79 C +ATOM 581 CG TYR A 99 27.619 50.287 35.647 1.00 10.56 C +ATOM 582 CD1 TYR A 99 27.079 50.266 34.363 1.00 10.65 C +ATOM 583 CD2 TYR A 99 28.777 51.031 35.861 1.00 9.66 C +ATOM 584 CE1 TYR A 99 27.675 50.969 33.324 1.00 10.62 C +ATOM 585 CE2 TYR A 99 29.366 51.747 34.839 1.00 10.26 C +ATOM 586 CZ TYR A 99 28.819 51.699 33.563 1.00 11.53 C +ATOM 587 OH TYR A 99 29.395 52.389 32.535 1.00 10.05 O +ATOM 588 N ARG A 100 27.736 47.274 39.095 1.00 9.32 N +ATOM 589 CA ARG A 100 27.400 46.784 40.432 1.00 10.51 C +ATOM 590 C ARG A 100 28.114 47.643 41.479 1.00 9.99 C +ATOM 591 O ARG A 100 29.099 48.326 41.176 1.00 7.17 O +ATOM 592 CB ARG A 100 27.809 45.309 40.634 1.00 4.47 C +ATOM 593 CG ARG A 100 27.069 44.281 39.754 1.00 6.18 C +ATOM 594 CD ARG A 100 27.731 42.898 39.817 1.00 6.18 C +ATOM 595 NE ARG A 100 27.068 41.901 38.967 1.00 8.69 N +ATOM 596 CZ ARG A 100 27.244 41.790 37.647 1.00 10.94 C +ATOM 597 NH1 ARG A 100 28.048 42.636 37.002 1.00 6.42 N +ATOM 598 NH2 ARG A 100 26.589 40.851 36.956 1.00 7.12 N +ATOM 599 N ACYS A 101 27.581 47.619 42.703 0.71 12.53 N +ATOM 600 N BCYS A 101 27.611 47.587 42.708 0.29 11.65 N +ATOM 601 CA ACYS A 101 28.196 48.249 43.869 0.71 7.80 C +ATOM 602 CA BCYS A 101 28.238 48.246 43.840 0.29 9.30 C +ATOM 603 C ACYS A 101 28.753 47.137 44.761 0.71 11.20 C +ATOM 604 C BCYS A 101 28.727 47.165 44.792 0.29 9.99 C +ATOM 605 O ACYS A 101 28.204 46.032 44.823 0.71 9.27 O +ATOM 606 O BCYS A 101 28.108 46.106 44.923 0.29 10.03 O +ATOM 607 CB ACYS A 101 27.151 49.082 44.663 0.71 4.57 C +ATOM 608 CB BCYS A 101 27.237 49.165 44.556 0.29 9.55 C +ATOM 609 SG ACYS A 101 26.523 50.551 43.813 0.71 12.59 S +ATOM 610 SG BCYS A 101 27.986 50.467 45.577 0.29 67.39 S +ATOM 611 N ILE A 102 29.848 47.426 45.448 1.00 8.32 N +ATOM 612 CA ILE A 102 30.359 46.514 46.449 1.00 11.57 C +ATOM 613 C ILE A 102 30.947 47.455 47.517 1.00 8.39 C +ATOM 614 O ILE A 102 31.381 48.561 47.190 1.00 8.87 O +ATOM 615 CB ILE A 102 31.358 45.489 45.801 1.00 15.76 C +ATOM 616 CG1 ILE A 102 31.689 44.340 46.744 1.00 12.13 C +ATOM 617 CG2 ILE A 102 32.633 46.172 45.295 1.00 17.07 C +ATOM 618 CD1 ILE A 102 32.663 43.365 46.139 1.00 14.05 C +ATOM 619 N TYR A 103 30.873 47.077 48.785 1.00 7.00 N +ATOM 620 CA TYR A 103 31.423 47.942 49.828 1.00 12.20 C +ATOM 621 C TYR A 103 32.403 47.260 50.780 1.00 16.76 C +ATOM 622 O TYR A 103 32.416 46.038 50.932 1.00 11.01 O +ATOM 623 CB TYR A 103 30.323 48.673 50.622 1.00 12.49 C +ATOM 624 CG TYR A 103 29.432 47.805 51.491 1.00 13.15 C +ATOM 625 CD1 TYR A 103 28.175 47.400 51.036 1.00 10.74 C +ATOM 626 CD2 TYR A 103 29.822 47.423 52.773 1.00 13.68 C +ATOM 627 CE1 TYR A 103 27.337 46.629 51.824 1.00 10.68 C +ATOM 628 CE2 TYR A 103 28.992 46.639 53.571 1.00 16.21 C +ATOM 629 CZ TYR A 103 27.743 46.249 53.080 1.00 15.10 C +ATOM 630 OH TYR A 103 26.901 45.486 53.839 1.00 15.25 O +ATOM 631 N TYR A 104 33.231 48.085 51.405 1.00 12.34 N +ATOM 632 CA TYR A 104 34.165 47.629 52.412 1.00 14.05 C +ATOM 633 C TYR A 104 33.713 48.166 53.764 1.00 14.80 C +ATOM 634 O TYR A 104 33.740 49.362 54.017 1.00 15.35 O +ATOM 635 CB TYR A 104 35.574 48.096 52.067 1.00 19.33 C +ATOM 636 CG TYR A 104 36.631 47.578 53.012 1.00 31.48 C +ATOM 637 CD1 TYR A 104 36.759 46.216 53.260 1.00 31.33 C +ATOM 638 CD2 TYR A 104 37.504 48.447 53.649 1.00 41.17 C +ATOM 639 CE1 TYR A 104 37.714 45.740 54.120 1.00 38.67 C +ATOM 640 CE2 TYR A 104 38.467 47.976 54.509 1.00 44.33 C +ATOM 641 CZ TYR A 104 38.565 46.623 54.741 1.00 45.52 C +ATOM 642 OH TYR A 104 39.525 46.150 55.602 1.00 54.72 O +ATOM 643 N LYS A 105 33.250 47.266 54.616 1.00 17.41 N +ATOM 644 CA LYS A 105 32.960 47.596 56.011 1.00 20.53 C +ATOM 645 C LYS A 105 33.794 46.630 56.840 1.00 30.48 C +ATOM 646 O LYS A 105 33.386 45.487 57.031 1.00 31.96 O +ATOM 647 CB LYS A 105 31.458 47.429 56.305 1.00 16.27 C +ATOM 648 CG LYS A 105 31.037 47.666 57.756 1.00 16.49 C +ATOM 649 CD LYS A 105 29.507 47.614 57.928 1.00 16.73 C +ATOM 650 CE LYS A 105 29.086 48.178 59.296 1.00 21.98 C +ATOM 651 NZ LYS A 105 27.613 48.095 59.594 1.00 21.98 N +ATOM 652 N PRO A 106 34.990 47.064 57.287 1.00 39.21 N +ATOM 653 CA PRO A 106 35.881 46.132 57.992 1.00 49.44 C +ATOM 654 C PRO A 106 35.086 45.229 58.935 1.00 55.85 C +ATOM 655 O PRO A 106 34.188 45.710 59.636 1.00 55.89 O +ATOM 656 CB PRO A 106 36.818 47.063 58.765 1.00 51.12 C +ATOM 657 CG PRO A 106 36.901 48.294 57.891 1.00 47.13 C +ATOM 658 CD PRO A 106 35.534 48.437 57.254 1.00 43.30 C +ATOM 659 N PRO A 107 35.429 43.931 58.974 1.00 58.27 N +ATOM 660 CA PRO A 107 36.683 43.371 58.448 1.00 56.63 C +ATOM 661 C PRO A 107 36.709 43.104 56.941 1.00 49.71 C +ATOM 662 O PRO A 107 37.795 42.966 56.370 1.00 47.55 O +ATOM 663 CB PRO A 107 36.793 42.020 59.186 1.00 57.32 C +ATOM 664 CG PRO A 107 35.519 41.892 60.044 1.00 55.21 C +ATOM 665 CD PRO A 107 34.543 42.874 59.490 1.00 55.92 C +ATOM 666 N LYS A 108 35.540 43.038 56.309 1.00 41.51 N +ATOM 667 CA LYS A 108 35.436 42.409 54.993 1.00 29.78 C +ATOM 668 C LYS A 108 34.733 43.241 53.908 1.00 21.27 C +ATOM 669 O LYS A 108 34.145 44.296 54.188 1.00 17.94 O +ATOM 670 CB LYS A 108 34.751 41.036 55.134 1.00 35.17 C +ATOM 671 CG LYS A 108 33.399 41.067 55.856 1.00 41.47 C +ATOM 672 CD LYS A 108 32.761 39.684 55.962 1.00 49.77 C +ATOM 673 CE LYS A 108 31.353 39.745 56.576 1.00 55.15 C +ATOM 674 NZ LYS A 108 31.346 40.158 58.021 1.00 54.69 N +ATOM 675 N TRP A 109 34.832 42.754 52.670 1.00 19.14 N +ATOM 676 CA TRP A 109 34.044 43.267 51.559 1.00 17.50 C +ATOM 677 C TRP A 109 32.702 42.554 51.553 1.00 15.51 C +ATOM 678 O TRP A 109 32.600 41.390 51.971 1.00 14.55 O +ATOM 679 CB TRP A 109 34.760 43.076 50.218 1.00 19.17 C +ATOM 680 CG TRP A 109 35.951 44.004 50.013 1.00 21.44 C +ATOM 681 CD1 TRP A 109 37.236 43.781 50.412 1.00 22.75 C +ATOM 682 CD2 TRP A 109 35.953 45.287 49.356 1.00 20.72 C +ATOM 683 NE1 TRP A 109 38.034 44.836 50.047 1.00 20.42 N +ATOM 684 CE2 TRP A 109 37.276 45.769 49.399 1.00 20.34 C +ATOM 685 CE3 TRP A 109 34.971 46.064 48.735 1.00 19.62 C +ATOM 686 CZ2 TRP A 109 37.636 47.008 48.849 1.00 16.96 C +ATOM 687 CZ3 TRP A 109 35.331 47.293 48.197 1.00 18.84 C +ATOM 688 CH2 TRP A 109 36.653 47.753 48.259 1.00 16.24 C +ATOM 689 N SER A 110 31.680 43.275 51.097 1.00 15.00 N +ATOM 690 CA SER A 110 30.327 42.767 50.961 1.00 11.78 C +ATOM 691 C SER A 110 30.221 41.911 49.706 1.00 10.95 C +ATOM 692 O SER A 110 31.140 41.863 48.894 1.00 13.04 O +ATOM 693 CB SER A 110 29.334 43.937 50.859 1.00 9.90 C +ATOM 694 OG SER A 110 29.409 44.573 49.583 1.00 8.28 O +ATOM 695 N GLU A 111 29.088 41.243 49.554 1.00 12.19 N +ATOM 696 CA GLU A 111 28.718 40.666 48.286 1.00 14.05 C +ATOM 697 C GLU A 111 28.419 41.786 47.305 1.00 14.57 C +ATOM 698 O GLU A 111 28.153 42.933 47.687 1.00 13.73 O +ATOM 699 CB GLU A 111 27.471 39.797 48.440 1.00 20.16 C +ATOM 700 CG GLU A 111 27.756 38.413 49.021 1.00 30.78 C +ATOM 701 CD GLU A 111 26.488 37.643 49.385 1.00 29.33 C +ATOM 702 OE1 GLU A 111 25.400 38.267 49.417 1.00 25.49 O +ATOM 703 OE2 GLU A 111 26.595 36.421 49.655 1.00 32.62 O +ATOM 704 N GLN A 112 28.438 41.440 46.032 1.00 12.45 N +ATOM 705 CA GLN A 112 28.106 42.400 45.008 1.00 10.71 C +ATOM 706 C GLN A 112 26.606 42.642 45.009 1.00 9.16 C +ATOM 707 O GLN A 112 25.815 41.726 45.245 1.00 6.78 O +ATOM 708 CB GLN A 112 28.555 41.885 43.639 1.00 16.47 C +ATOM 709 CG GLN A 112 30.070 41.829 43.427 1.00 20.00 C +ATOM 710 CD GLN A 112 30.421 41.123 42.112 1.00 21.65 C +ATOM 711 OE1 GLN A 112 30.091 39.954 41.911 1.00 25.97 O +ATOM 712 NE2 GLN A 112 31.077 41.835 41.216 1.00 17.03 N +ATOM 713 N SER A 113 26.233 43.887 44.731 1.00 9.16 N +ATOM 714 CA SER A 113 24.834 44.258 44.558 1.00 11.54 C +ATOM 715 C SER A 113 24.305 43.570 43.317 1.00 10.82 C +ATOM 716 O SER A 113 25.085 43.106 42.467 1.00 6.78 O +ATOM 717 CB SER A 113 24.701 45.772 44.373 1.00 7.63 C +ATOM 718 OG SER A 113 25.179 46.197 43.101 1.00 7.53 O +ATOM 719 N ASP A 114 22.981 43.505 43.213 1.00 13.19 N +ATOM 720 CA ASP A 114 22.360 43.180 41.942 1.00 12.70 C +ATOM 721 C ASP A 114 22.908 44.152 40.897 1.00 8.26 C +ATOM 722 O ASP A 114 23.198 45.325 41.200 1.00 12.53 O +ATOM 723 CB ASP A 114 20.842 43.322 42.038 1.00 15.29 C +ATOM 724 CG ASP A 114 20.199 42.195 42.820 1.00 24.13 C +ATOM 725 OD1 ASP A 114 20.822 41.708 43.784 1.00 23.37 O +ATOM 726 OD2 ASP A 114 19.066 41.801 42.473 1.00 30.29 O +ATOM 727 N TYR A 115 23.048 43.686 39.666 1.00 8.73 N +ATOM 728 CA TYR A 115 23.536 44.560 38.607 1.00 8.70 C +ATOM 729 C TYR A 115 22.456 45.487 38.037 1.00 9.23 C +ATOM 730 O TYR A 115 21.238 45.220 38.145 1.00 10.25 O +ATOM 731 CB TYR A 115 24.218 43.773 37.477 1.00 7.69 C +ATOM 732 CG TYR A 115 23.265 42.976 36.606 1.00 7.43 C +ATOM 733 CD1 TYR A 115 23.181 41.590 36.738 1.00 9.37 C +ATOM 734 CD2 TYR A 115 22.477 43.600 35.631 1.00 9.70 C +ATOM 735 CE1 TYR A 115 22.330 40.836 35.955 1.00 15.39 C +ATOM 736 CE2 TYR A 115 21.607 42.842 34.815 1.00 13.00 C +ATOM 737 CZ TYR A 115 21.544 41.460 34.993 1.00 15.69 C +ATOM 738 OH TYR A 115 20.710 40.674 34.224 1.00 13.80 O +ATOM 739 N LEU A 116 22.942 46.589 37.471 1.00 8.57 N +ATOM 740 CA LEU A 116 22.128 47.551 36.758 1.00 15.39 C +ATOM 741 C LEU A 116 22.687 47.560 35.340 1.00 14.50 C +ATOM 742 O LEU A 116 23.909 47.611 35.148 1.00 13.82 O +ATOM 743 CB LEU A 116 22.280 48.905 37.438 1.00 16.88 C +ATOM 744 CG LEU A 116 21.243 50.016 37.270 1.00 22.84 C +ATOM 745 CD1 LEU A 116 21.156 50.857 38.537 1.00 19.87 C +ATOM 746 CD2 LEU A 116 21.653 50.898 36.104 1.00 24.08 C +ATOM 747 N GLU A 117 21.817 47.496 34.337 1.00 9.41 N +ATOM 748 CA GLU A 117 22.304 47.497 32.971 1.00 12.65 C +ATOM 749 C GLU A 117 22.146 48.911 32.402 1.00 8.33 C +ATOM 750 O GLU A 117 21.022 49.408 32.224 1.00 10.05 O +ATOM 751 CB GLU A 117 21.568 46.436 32.128 1.00 11.10 C +ATOM 752 CG GLU A 117 22.110 46.269 30.698 1.00 12.98 C +ATOM 753 CD GLU A 117 23.282 45.291 30.595 1.00 18.71 C +ATOM 754 OE1 GLU A 117 23.557 44.567 31.591 1.00 19.74 O +ATOM 755 OE2 GLU A 117 23.924 45.255 29.515 1.00 18.49 O +ATOM 756 N LEU A 118 23.286 49.567 32.176 1.00 9.46 N +ATOM 757 CA LEU A 118 23.313 50.887 31.557 1.00 12.68 C +ATOM 758 C LEU A 118 23.187 50.686 30.056 1.00 12.30 C +ATOM 759 O LEU A 118 23.938 49.916 29.451 1.00 11.04 O +ATOM 760 CB LEU A 118 24.604 51.639 31.888 1.00 12.28 C +ATOM 761 CG LEU A 118 24.614 53.126 31.497 1.00 15.55 C +ATOM 762 CD1 LEU A 118 23.550 53.927 32.280 1.00 14.90 C +ATOM 763 CD2 LEU A 118 26.003 53.749 31.665 1.00 16.23 C +ATOM 764 N LEU A 119 22.197 51.345 29.473 1.00 12.64 N +ATOM 765 CA LEU A 119 21.990 51.287 28.034 1.00 16.51 C +ATOM 766 C LEU A 119 22.033 52.689 27.491 1.00 12.34 C +ATOM 767 O LEU A 119 21.540 53.623 28.117 1.00 13.92 O +ATOM 768 CB LEU A 119 20.662 50.602 27.684 1.00 16.07 C +ATOM 769 CG LEU A 119 20.494 49.141 28.135 1.00 15.25 C +ATOM 770 CD1 LEU A 119 19.065 48.689 27.920 1.00 16.65 C +ATOM 771 CD2 LEU A 119 21.486 48.178 27.475 1.00 14.47 C +ATOM 772 N VAL A 120 22.649 52.829 26.327 1.00 14.96 N +ATOM 773 CA VAL A 120 22.753 54.122 25.686 1.00 23.40 C +ATOM 774 C VAL A 120 21.627 54.271 24.652 1.00 27.07 C +ATOM 775 O VAL A 120 21.311 53.336 23.914 1.00 24.25 O +ATOM 776 CB VAL A 120 24.150 54.323 25.053 1.00 21.34 C +ATOM 777 CG1 VAL A 120 24.238 55.677 24.374 1.00 24.09 C +ATOM 778 CG2 VAL A 120 25.241 54.181 26.130 1.00 25.23 C +ATOM 779 N LYS A 121 21.004 55.442 24.648 1.00 32.95 N +ATOM 780 CA LYS A 121 19.961 55.790 23.697 1.00 41.74 C +ATOM 781 C LYS A 121 20.530 56.910 22.810 1.00 50.80 C +ATOM 782 O LYS A 121 20.816 58.007 23.298 1.00 44.83 O +ATOM 783 CB LYS A 121 18.740 56.264 24.484 1.00 42.03 C +ATOM 784 CG LYS A 121 17.534 56.667 23.678 1.00 48.13 C +ATOM 785 CD LYS A 121 16.442 57.205 24.603 1.00 54.33 C +ATOM 786 CE LYS A 121 15.262 57.788 23.821 1.00 59.08 C +ATOM 787 NZ LYS A 121 14.202 58.330 24.718 1.00 59.63 N +ATOM 788 N GLU A 122 20.733 56.636 21.521 1.00 59.15 N +ATOM 789 CA GLU A 122 21.406 57.607 20.654 1.00 64.27 C +ATOM 790 C GLU A 122 20.662 58.946 20.642 1.00 60.69 C +ATOM 791 O GLU A 122 21.250 59.991 20.343 1.00 60.04 O +ATOM 792 CB GLU A 122 21.591 57.057 19.234 1.00 74.77 C +ATOM 793 CG GLU A 122 22.576 57.853 18.362 1.00 84.98 C +ATOM 794 CD GLU A 122 21.931 59.034 17.637 1.00 93.10 C +ATOM 795 OE1 GLU A 122 20.711 58.978 17.367 1.00 96.34 O +ATOM 796 OE2 GLU A 122 22.647 60.015 17.329 1.00 94.61 O +ATOM 797 N ALA A 123 19.372 58.900 20.980 1.00 57.15 N +ATOM 798 CA ALA A 123 18.526 60.091 21.063 1.00 52.45 C +ATOM 799 C ALA A 123 17.639 60.062 22.311 1.00 50.45 C +ATOM 800 O ALA A 123 17.748 60.919 23.195 1.00 47.17 O +ATOM 801 CB ALA A 123 17.671 60.234 19.802 1.00 50.78 C Added: SwiftApps/modFTdock/input/indata/3kgr-2.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3kgr-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3kgr-2.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,784 @@ +ATOM 1 N ASP B 25 27.465 41.334 19.766 1.00 34.52 N +ATOM 2 CA ASP B 25 26.584 41.455 20.926 1.00 45.81 C +ATOM 3 C ASP B 25 26.211 40.079 21.479 1.00 47.15 C +ATOM 4 O ASP B 25 25.220 39.477 21.062 1.00 50.34 O +ATOM 5 CB ASP B 25 25.320 42.245 20.566 1.00 52.22 C +ATOM 6 CG ASP B 25 25.618 43.688 20.200 1.00 62.49 C +ATOM 7 OD1 ASP B 25 26.272 44.382 21.010 1.00 65.40 O +ATOM 8 OD2 ASP B 25 25.201 44.131 19.104 1.00 66.59 O +ATOM 9 N LEU B 26 27.010 39.589 22.424 1.00 40.56 N +ATOM 10 CA LEU B 26 26.815 38.258 23.005 1.00 32.51 C +ATOM 11 C LEU B 26 25.693 38.216 24.048 1.00 32.56 C +ATOM 12 O LEU B 26 25.665 39.029 24.981 1.00 30.87 O +ATOM 13 CB LEU B 26 28.119 37.754 23.641 1.00 29.42 C +ATOM 14 CG LEU B 26 29.321 37.470 22.735 1.00 33.45 C +ATOM 15 CD1 LEU B 26 30.515 37.015 23.567 1.00 30.21 C +ATOM 16 CD2 LEU B 26 28.970 36.434 21.669 1.00 36.57 C +ATOM 17 N PRO B 27 24.774 37.247 23.900 1.00 30.93 N +ATOM 18 CA PRO B 27 23.676 37.004 24.847 1.00 31.12 C +ATOM 19 C PRO B 27 24.201 36.722 26.261 1.00 26.84 C +ATOM 20 O PRO B 27 25.207 36.038 26.372 1.00 23.46 O +ATOM 21 CB PRO B 27 23.010 35.727 24.303 1.00 31.42 C +ATOM 22 CG PRO B 27 23.487 35.571 22.921 1.00 32.66 C +ATOM 23 CD PRO B 27 24.813 36.249 22.814 1.00 32.32 C +ATOM 24 N ARG B 28 23.542 37.233 27.303 1.00 24.09 N +ATOM 25 CA ARG B 28 23.875 36.876 28.678 1.00 17.99 C +ATOM 26 C ARG B 28 23.528 35.393 28.892 1.00 12.24 C +ATOM 27 O ARG B 28 22.438 34.959 28.527 1.00 11.71 O +ATOM 28 CB ARG B 28 23.096 37.768 29.654 1.00 17.64 C +ATOM 29 CG ARG B 28 23.343 37.449 31.114 1.00 16.50 C +ATOM 30 CD ARG B 28 22.625 38.420 32.062 1.00 17.55 C +ATOM 31 NE ARG B 28 23.491 39.535 32.444 1.00 19.36 N +ATOM 32 CZ ARG B 28 23.296 40.795 32.077 1.00 21.09 C +ATOM 33 NH1 ARG B 28 22.249 41.115 31.323 1.00 18.97 N +ATOM 34 NH2 ARG B 28 24.147 41.736 32.471 1.00 17.81 N +ATOM 35 N PRO B 29 24.465 34.597 29.452 1.00 11.89 N +ATOM 36 CA PRO B 29 24.135 33.181 29.639 1.00 11.19 C +ATOM 37 C PRO B 29 23.144 33.020 30.803 1.00 16.68 C +ATOM 38 O PRO B 29 22.889 33.976 31.532 1.00 16.54 O +ATOM 39 CB PRO B 29 25.494 32.566 30.000 1.00 11.58 C +ATOM 40 CG PRO B 29 26.228 33.718 30.696 1.00 12.78 C +ATOM 41 CD PRO B 29 25.860 34.891 29.849 1.00 13.01 C +ATOM 42 N SER B 30 22.599 31.822 30.978 1.00 16.34 N +ATOM 43 CA SER B 30 21.822 31.514 32.171 1.00 12.13 C +ATOM 44 C SER B 30 22.552 30.495 33.052 1.00 12.08 C +ATOM 45 O SER B 30 23.397 29.731 32.579 1.00 13.30 O +ATOM 46 CB SER B 30 20.428 30.999 31.810 1.00 12.62 C +ATOM 47 OG SER B 30 20.518 29.718 31.234 1.00 12.11 O +ATOM 48 N ILE B 31 22.238 30.521 34.343 1.00 9.35 N +ATOM 49 CA ILE B 31 22.748 29.529 35.291 1.00 8.31 C +ATOM 50 C ILE B 31 21.586 28.853 36.026 1.00 13.75 C +ATOM 51 O ILE B 31 20.604 29.512 36.402 1.00 17.91 O +ATOM 52 CB ILE B 31 23.728 30.154 36.290 1.00 8.57 C +ATOM 53 CG1 ILE B 31 24.389 29.066 37.138 1.00 8.25 C +ATOM 54 CG2 ILE B 31 23.032 31.254 37.121 1.00 10.75 C +ATOM 55 CD1 ILE B 31 25.493 29.591 38.066 1.00 13.53 C +ATOM 56 N SER B 32 21.688 27.536 36.193 1.00 12.86 N +ATOM 57 CA SER B 32 20.693 26.754 36.917 1.00 13.67 C +ATOM 58 C SER B 32 21.411 25.821 37.889 1.00 12.11 C +ATOM 59 O SER B 32 22.564 25.451 37.665 1.00 14.84 O +ATOM 60 CB SER B 32 19.845 25.921 35.948 1.00 15.27 C +ATOM 61 OG SER B 32 19.173 26.738 35.009 1.00 18.73 O +ATOM 62 N ALA B 33 20.733 25.445 38.970 1.00 15.65 N +ATOM 63 CA ALA B 33 21.273 24.439 39.867 1.00 14.70 C +ATOM 64 C ALA B 33 20.401 23.188 39.896 1.00 19.32 C +ATOM 65 O ALA B 33 19.168 23.271 39.986 1.00 19.83 O +ATOM 66 CB ALA B 33 21.466 24.998 41.265 1.00 15.39 C +ATOM 67 N GLU B 34 21.051 22.031 39.804 1.00 18.90 N +ATOM 68 CA GLU B 34 20.376 20.749 39.932 1.00 17.55 C +ATOM 69 C GLU B 34 20.963 19.981 41.108 1.00 21.96 C +ATOM 70 O GLU B 34 22.155 19.724 41.139 1.00 16.98 O +ATOM 71 CB GLU B 34 20.550 19.972 38.642 1.00 18.62 C +ATOM 72 CG GLU B 34 20.094 20.788 37.458 1.00 20.20 C +ATOM 73 CD GLU B 34 20.130 20.020 36.170 1.00 24.25 C +ATOM 74 OE1 GLU B 34 20.731 18.919 36.153 1.00 27.52 O +ATOM 75 OE2 GLU B 34 19.557 20.525 35.178 1.00 22.39 O +ATOM 76 N PRO B 35 20.118 19.575 42.069 1.00 28.54 N +ATOM 77 CA PRO B 35 18.648 19.544 42.044 1.00 29.88 C +ATOM 78 C PRO B 35 18.005 20.904 42.236 1.00 27.42 C +ATOM 79 O PRO B 35 16.863 21.118 41.837 1.00 33.58 O +ATOM 80 CB PRO B 35 18.298 18.691 43.271 1.00 30.75 C +ATOM 81 CG PRO B 35 19.605 18.343 43.944 1.00 26.82 C +ATOM 82 CD PRO B 35 20.642 19.241 43.404 1.00 27.17 C +ATOM 83 N GLY B 36 18.735 21.800 42.880 1.00 19.91 N +ATOM 84 CA GLY B 36 18.191 23.072 43.293 1.00 20.36 C +ATOM 85 C GLY B 36 19.240 23.830 44.072 1.00 22.52 C +ATOM 86 O GLY B 36 20.396 23.412 44.127 1.00 16.37 O +ATOM 87 N THR B 37 18.825 24.935 44.685 1.00 25.35 N +ATOM 88 CA THR B 37 19.740 25.870 45.323 1.00 23.20 C +ATOM 89 C THR B 37 19.890 25.622 46.825 1.00 24.88 C +ATOM 90 O THR B 37 20.781 26.177 47.465 1.00 21.66 O +ATOM 91 CB THR B 37 19.250 27.305 45.105 1.00 26.07 C +ATOM 92 OG1 THR B 37 17.858 27.374 45.447 1.00 26.44 O +ATOM 93 CG2 THR B 37 19.436 27.711 43.641 1.00 19.56 C +ATOM 94 N VAL B 38 19.011 24.799 47.390 1.00 27.02 N +ATOM 95 CA VAL B 38 19.129 24.437 48.799 1.00 26.23 C +ATOM 96 C VAL B 38 19.564 22.972 48.899 1.00 22.98 C +ATOM 97 O VAL B 38 18.811 22.062 48.570 1.00 25.67 O +ATOM 98 CB VAL B 38 17.828 24.751 49.589 1.00 25.47 C +ATOM 99 CG1 VAL B 38 17.919 24.233 51.020 1.00 28.71 C +ATOM 100 CG2 VAL B 38 17.565 26.253 49.599 1.00 23.70 C +ATOM 101 N ILE B 39 20.804 22.762 49.329 1.00 26.40 N +ATOM 102 CA ILE B 39 21.432 21.443 49.302 1.00 20.64 C +ATOM 103 C ILE B 39 21.920 21.053 50.686 1.00 24.64 C +ATOM 104 O ILE B 39 22.601 21.835 51.343 1.00 28.78 O +ATOM 105 CB ILE B 39 22.664 21.423 48.362 1.00 15.74 C +ATOM 106 CG1 ILE B 39 22.308 21.976 46.985 1.00 16.65 C +ATOM 107 CG2 ILE B 39 23.242 20.027 48.271 1.00 16.94 C +ATOM 108 CD1 ILE B 39 21.344 21.123 46.192 1.00 15.73 C +ATOM 109 N PRO B 40 21.596 19.829 51.126 1.00 22.54 N +ATOM 110 CA PRO B 40 22.105 19.315 52.401 1.00 23.71 C +ATOM 111 C PRO B 40 23.620 19.146 52.366 1.00 24.74 C +ATOM 112 O PRO B 40 24.170 18.757 51.319 1.00 23.56 O +ATOM 113 CB PRO B 40 21.440 17.937 52.510 1.00 20.46 C +ATOM 114 CG PRO B 40 20.271 18.004 51.593 1.00 19.08 C +ATOM 115 CD PRO B 40 20.701 18.869 50.464 1.00 13.77 C +ATOM 116 N LEU B 41 24.281 19.455 53.484 1.00 26.49 N +ATOM 117 CA LEU B 41 25.715 19.210 53.628 1.00 26.93 C +ATOM 118 C LEU B 41 26.002 17.773 53.203 1.00 25.22 C +ATOM 119 O LEU B 41 25.279 16.851 53.611 1.00 32.60 O +ATOM 120 CB LEU B 41 26.141 19.388 55.090 1.00 31.55 C +ATOM 121 CG LEU B 41 27.655 19.472 55.348 1.00 34.84 C +ATOM 122 CD1 LEU B 41 28.148 20.889 55.034 1.00 34.86 C +ATOM 123 CD2 LEU B 41 28.046 19.040 56.790 1.00 24.38 C +ATOM 124 N GLY B 42 27.027 17.581 52.374 1.00 22.10 N +ATOM 125 CA GLY B 42 27.434 16.250 51.963 1.00 21.75 C +ATOM 126 C GLY B 42 26.793 15.819 50.665 1.00 22.20 C +ATOM 127 O GLY B 42 27.256 14.872 50.029 1.00 20.93 O +ATOM 128 N SER B 43 25.722 16.515 50.287 1.00 24.11 N +ATOM 129 CA SER B 43 25.005 16.240 49.045 1.00 22.28 C +ATOM 130 C SER B 43 25.649 16.959 47.866 1.00 18.60 C +ATOM 131 O SER B 43 26.474 17.852 48.041 1.00 16.07 O +ATOM 132 CB SER B 43 23.552 16.675 49.167 1.00 26.84 C +ATOM 133 OG SER B 43 22.814 15.700 49.864 1.00 39.16 O +ATOM 134 N HIS B 44 25.257 16.579 46.659 1.00 20.72 N +ATOM 135 CA HIS B 44 25.831 17.208 45.484 1.00 19.63 C +ATOM 136 C HIS B 44 24.911 18.273 44.907 1.00 19.35 C +ATOM 137 O HIS B 44 23.708 18.303 45.176 1.00 23.32 O +ATOM 138 CB HIS B 44 26.162 16.169 44.424 1.00 23.88 C +ATOM 139 CG HIS B 44 24.952 15.566 43.790 1.00 34.16 C +ATOM 140 ND1 HIS B 44 24.466 15.990 42.571 1.00 34.94 N +ATOM 141 CD2 HIS B 44 24.114 14.595 44.218 1.00 39.78 C +ATOM 142 CE1 HIS B 44 23.385 15.293 42.271 1.00 38.87 C +ATOM 143 NE2 HIS B 44 23.149 14.441 43.253 1.00 43.68 N +ATOM 144 N VAL B 45 25.505 19.153 44.112 1.00 18.16 N +ATOM 145 CA VAL B 45 24.772 20.144 43.343 1.00 18.91 C +ATOM 146 C VAL B 45 25.480 20.305 41.994 1.00 19.04 C +ATOM 147 O VAL B 45 26.709 20.248 41.920 1.00 16.95 O +ATOM 148 CB VAL B 45 24.648 21.506 44.088 1.00 14.15 C +ATOM 149 CG1 VAL B 45 26.021 22.197 44.264 1.00 12.02 C +ATOM 150 CG2 VAL B 45 23.664 22.427 43.363 1.00 16.75 C +ATOM 151 N THR B 46 24.705 20.458 40.924 1.00 13.90 N +ATOM 152 CA THR B 46 25.290 20.696 39.610 1.00 10.87 C +ATOM 153 C THR B 46 24.812 22.011 39.030 1.00 8.85 C +ATOM 154 O THR B 46 23.616 22.267 38.919 1.00 17.00 O +ATOM 155 CB THR B 46 25.016 19.536 38.631 1.00 14.34 C +ATOM 156 OG1 THR B 46 25.545 18.320 39.187 1.00 18.43 O +ATOM 157 CG2 THR B 46 25.668 19.800 37.276 1.00 13.31 C +ATOM 158 N PHE B 47 25.774 22.860 38.695 1.00 12.61 N +ATOM 159 CA PHE B 47 25.490 24.126 38.040 1.00 11.91 C +ATOM 160 C PHE B 47 25.557 23.916 36.537 1.00 12.88 C +ATOM 161 O PHE B 47 26.517 23.331 36.022 1.00 12.47 O +ATOM 162 CB PHE B 47 26.494 25.189 38.472 1.00 11.23 C +ATOM 163 CG PHE B 47 26.454 25.481 39.944 1.00 11.30 C +ATOM 164 CD1 PHE B 47 27.385 24.925 40.799 1.00 16.60 C +ATOM 165 CD2 PHE B 47 25.461 26.285 40.469 1.00 13.44 C +ATOM 166 CE1 PHE B 47 27.336 25.180 42.158 1.00 13.77 C +ATOM 167 CE2 PHE B 47 25.416 26.551 41.825 1.00 15.04 C +ATOM 168 CZ PHE B 47 26.351 25.998 42.662 1.00 15.84 C +ATOM 169 N VAL B 48 24.507 24.359 35.849 1.00 14.63 N +ATOM 170 CA VAL B 48 24.449 24.263 34.397 1.00 14.32 C +ATOM 171 C VAL B 48 24.467 25.667 33.799 1.00 13.61 C +ATOM 172 O VAL B 48 23.590 26.491 34.093 1.00 15.19 O +ATOM 173 CB VAL B 48 23.205 23.472 33.908 1.00 8.12 C +ATOM 174 CG1 VAL B 48 23.331 23.174 32.422 1.00 10.46 C +ATOM 175 CG2 VAL B 48 23.040 22.184 34.703 1.00 12.69 C +ATOM 176 N ACYS B 49 25.488 25.936 32.989 0.52 11.29 N +ATOM 177 N BCYS B 49 25.474 25.942 32.972 0.48 11.27 N +ATOM 178 CA ACYS B 49 25.606 27.198 32.276 0.52 10.74 C +ATOM 179 CA BCYS B 49 25.570 27.218 32.277 0.48 10.45 C +ATOM 180 C ACYS B 49 25.080 26.997 30.854 0.52 13.33 C +ATOM 181 C BCYS B 49 25.113 27.034 30.837 0.48 13.38 C +ATOM 182 O ACYS B 49 25.494 26.066 30.161 0.52 12.64 O +ATOM 183 O BCYS B 49 25.604 26.157 30.119 0.48 12.57 O +ATOM 184 CB ACYS B 49 27.071 27.659 32.242 0.52 12.81 C +ATOM 185 CB BCYS B 49 27.001 27.754 32.310 0.48 12.43 C +ATOM 186 SG ACYS B 49 27.883 27.995 33.859 0.52 7.55 S +ATOM 187 SG BCYS B 49 27.186 29.505 31.845 0.48 40.61 S +ATOM 188 N ARG B 50 24.159 27.857 30.425 1.00 12.99 N +ATOM 189 CA ARG B 50 23.607 27.777 29.072 1.00 12.71 C +ATOM 190 C ARG B 50 23.867 29.068 28.302 1.00 10.68 C +ATOM 191 O ARG B 50 23.686 30.169 28.824 1.00 13.53 O +ATOM 192 CB ARG B 50 22.118 27.439 29.100 1.00 10.43 C +ATOM 193 CG ARG B 50 21.826 26.052 29.630 1.00 11.00 C +ATOM 194 CD ARG B 50 20.333 25.766 29.690 1.00 15.66 C +ATOM 195 NE ARG B 50 20.076 24.368 30.061 1.00 17.91 N +ATOM 196 CZ ARG B 50 19.790 23.960 31.296 1.00 17.35 C +ATOM 197 NH1 ARG B 50 19.714 24.845 32.281 1.00 12.78 N +ATOM 198 NH2 ARG B 50 19.582 22.668 31.546 1.00 18.21 N +ATOM 199 N GLY B 51 24.308 28.925 27.061 1.00 11.99 N +ATOM 200 CA GLY B 51 24.616 30.069 26.230 1.00 9.45 C +ATOM 201 C GLY B 51 24.200 29.794 24.796 1.00 13.05 C +ATOM 202 O GLY B 51 23.468 28.826 24.514 1.00 11.61 O +ATOM 203 N PRO B 52 24.656 30.646 23.874 1.00 12.31 N +ATOM 204 CA PRO B 52 24.325 30.463 22.462 1.00 11.96 C +ATOM 205 C PRO B 52 25.150 29.329 21.883 1.00 12.38 C +ATOM 206 O PRO B 52 26.098 28.848 22.511 1.00 12.20 O +ATOM 207 CB PRO B 52 24.750 31.793 21.842 1.00 12.91 C +ATOM 208 CG PRO B 52 25.884 32.241 22.688 1.00 12.71 C +ATOM 209 CD PRO B 52 25.656 31.707 24.079 1.00 10.13 C +ATOM 210 N VAL B 53 24.795 28.892 20.684 1.00 17.19 N +ATOM 211 CA VAL B 53 25.645 27.948 19.978 1.00 20.25 C +ATOM 212 C VAL B 53 27.057 28.573 19.803 1.00 17.15 C +ATOM 213 O VAL B 53 27.204 29.808 19.777 1.00 17.33 O +ATOM 214 CB VAL B 53 24.984 27.526 18.647 1.00 19.93 C +ATOM 215 CG1 VAL B 53 24.805 28.731 17.729 1.00 20.47 C +ATOM 216 CG2 VAL B 53 25.787 26.426 17.982 1.00 23.08 C +ATOM 217 N GLY B 54 28.094 27.737 19.753 1.00 15.42 N +ATOM 218 CA GLY B 54 29.436 28.221 19.447 1.00 14.28 C +ATOM 219 C GLY B 54 30.315 28.727 20.589 1.00 11.79 C +ATOM 220 O GLY B 54 31.354 29.328 20.357 1.00 14.29 O +ATOM 221 N VAL B 55 29.911 28.492 21.827 1.00 15.62 N +ATOM 222 CA VAL B 55 30.756 28.857 22.966 1.00 16.46 C +ATOM 223 C VAL B 55 32.044 28.015 22.967 1.00 17.78 C +ATOM 224 O VAL B 55 32.017 26.816 22.682 1.00 19.28 O +ATOM 225 CB VAL B 55 29.994 28.669 24.299 1.00 15.03 C +ATOM 226 CG1 VAL B 55 30.946 28.719 25.488 1.00 10.61 C +ATOM 227 CG2 VAL B 55 28.854 29.694 24.421 1.00 13.08 C +ATOM 228 N GLN B 56 33.166 28.658 23.266 1.00 12.92 N +ATOM 229 CA GLN B 56 34.435 27.967 23.453 1.00 15.74 C +ATOM 230 C GLN B 56 34.640 27.526 24.910 1.00 17.46 C +ATOM 231 O GLN B 56 35.017 26.384 25.178 1.00 13.76 O +ATOM 232 CB GLN B 56 35.586 28.879 23.055 1.00 17.12 C +ATOM 233 CG GLN B 56 36.966 28.354 23.475 1.00 22.17 C +ATOM 234 CD GLN B 56 38.082 29.299 23.078 1.00 28.51 C +ATOM 235 OE1 GLN B 56 38.025 29.932 22.031 1.00 26.53 O +ATOM 236 NE2 GLN B 56 39.100 29.403 23.921 1.00 35.98 N +ATOM 237 N THR B 57 34.404 28.449 25.843 1.00 13.23 N +ATOM 238 CA THR B 57 34.675 28.208 27.256 1.00 13.61 C +ATOM 239 C THR B 57 33.521 28.682 28.136 1.00 10.58 C +ATOM 240 O THR B 57 33.019 29.784 27.945 1.00 10.13 O +ATOM 241 CB THR B 57 35.958 28.959 27.688 1.00 12.41 C +ATOM 242 OG1 THR B 57 37.065 28.477 26.922 1.00 15.02 O +ATOM 243 CG2 THR B 57 36.231 28.783 29.177 1.00 7.72 C +ATOM 244 N PHE B 58 33.101 27.848 29.084 1.00 9.23 N +ATOM 245 CA PHE B 58 32.203 28.297 30.143 1.00 7.00 C +ATOM 246 C PHE B 58 33.006 28.406 31.426 1.00 9.41 C +ATOM 247 O PHE B 58 33.863 27.561 31.717 1.00 10.71 O +ATOM 248 CB PHE B 58 31.022 27.351 30.364 1.00 9.53 C +ATOM 249 CG PHE B 58 29.881 27.559 29.417 1.00 12.32 C +ATOM 250 CD1 PHE B 58 28.990 28.612 29.594 1.00 15.18 C +ATOM 251 CD2 PHE B 58 29.680 26.688 28.359 1.00 16.69 C +ATOM 252 CE1 PHE B 58 27.913 28.793 28.718 1.00 16.17 C +ATOM 253 CE2 PHE B 58 28.619 26.869 27.479 1.00 15.71 C +ATOM 254 CZ PHE B 58 27.740 27.920 27.665 1.00 16.36 C +ATOM 255 N ARG B 59 32.704 29.439 32.200 1.00 12.66 N +ATOM 256 CA ARG B 59 33.341 29.636 33.490 1.00 8.82 C +ATOM 257 C ARG B 59 32.283 29.807 34.559 1.00 11.89 C +ATOM 258 O ARG B 59 31.369 30.618 34.418 1.00 10.30 O +ATOM 259 CB ARG B 59 34.246 30.867 33.453 1.00 7.86 C +ATOM 260 CG ARG B 59 34.792 31.251 34.823 1.00 10.42 C +ATOM 261 CD ARG B 59 35.896 32.299 34.736 1.00 13.64 C +ATOM 262 NE ARG B 59 37.062 31.847 33.955 1.00 16.76 N +ATOM 263 CZ ARG B 59 38.021 32.659 33.516 1.00 15.37 C +ATOM 264 NH1 ARG B 59 37.939 33.959 33.768 1.00 20.25 N +ATOM 265 NH2 ARG B 59 39.046 32.185 32.825 1.00 15.49 N +ATOM 266 N LEU B 60 32.409 29.023 35.622 1.00 8.73 N +ATOM 267 CA LEU B 60 31.588 29.194 36.803 1.00 9.54 C +ATOM 268 C LEU B 60 32.339 30.141 37.709 1.00 11.37 C +ATOM 269 O LEU B 60 33.492 29.889 38.048 1.00 10.39 O +ATOM 270 CB LEU B 60 31.392 27.856 37.536 1.00 9.97 C +ATOM 271 CG LEU B 60 30.512 27.890 38.795 1.00 10.01 C +ATOM 272 CD1 LEU B 60 29.056 28.202 38.419 1.00 10.03 C +ATOM 273 CD2 LEU B 60 30.626 26.577 39.570 1.00 10.27 C +ATOM 274 N GLU B 61 31.682 31.228 38.096 1.00 8.05 N +ATOM 275 CA GLU B 61 32.264 32.193 39.012 1.00 7.06 C +ATOM 276 C GLU B 61 31.680 32.061 40.399 1.00 9.97 C +ATOM 277 O GLU B 61 30.463 32.233 40.598 1.00 10.46 O +ATOM 278 CB GLU B 61 32.039 33.589 38.483 1.00 14.20 C +ATOM 279 CG GLU B 61 32.603 33.763 37.095 1.00 17.87 C +ATOM 280 CD GLU B 61 32.349 35.132 36.603 1.00 25.54 C +ATOM 281 OE1 GLU B 61 31.183 35.567 36.747 1.00 27.78 O +ATOM 282 OE2 GLU B 61 33.308 35.767 36.099 1.00 29.07 O +ATOM 283 N ARG B 62 32.554 31.730 41.352 1.00 7.40 N +ATOM 284 CA ARG B 62 32.172 31.522 42.750 1.00 9.22 C +ATOM 285 C ARG B 62 32.506 32.771 43.563 1.00 11.08 C +ATOM 286 O ARG B 62 33.678 33.030 43.886 1.00 8.67 O +ATOM 287 CB ARG B 62 32.920 30.327 43.349 1.00 10.06 C +ATOM 288 CG ARG B 62 32.910 29.059 42.529 1.00 11.40 C +ATOM 289 CD ARG B 62 33.371 27.909 43.432 1.00 14.05 C +ATOM 290 NE ARG B 62 33.513 26.647 42.710 1.00 20.04 N +ATOM 291 CZ ARG B 62 33.493 25.463 43.309 1.00 15.33 C +ATOM 292 NH1 ARG B 62 33.331 25.407 44.626 1.00 13.87 N +ATOM 293 NH2 ARG B 62 33.633 24.348 42.605 1.00 15.28 N +ATOM 294 N GLU B 63 31.485 33.555 43.884 1.00 11.11 N +ATOM 295 CA GLU B 63 31.737 34.882 44.440 1.00 12.78 C +ATOM 296 C GLU B 63 32.444 34.887 45.796 1.00 12.68 C +ATOM 297 O GLU B 63 33.329 35.705 46.025 1.00 16.01 O +ATOM 298 CB GLU B 63 30.467 35.737 44.526 1.00 11.48 C +ATOM 299 CG GLU B 63 30.809 37.151 45.000 1.00 11.54 C +ATOM 300 CD GLU B 63 29.644 38.114 44.962 1.00 16.92 C +ATOM 301 OE1 GLU B 63 28.598 37.761 44.389 1.00 15.16 O +ATOM 302 OE2 GLU B 63 29.799 39.232 45.501 1.00 20.16 O +ATOM 303 N SER B 64 32.056 33.984 46.686 1.00 9.13 N +ATOM 304 CA SER B 64 32.490 34.083 48.076 1.00 16.45 C +ATOM 305 C SER B 64 34.007 34.307 48.234 1.00 17.78 C +ATOM 306 O SER B 64 34.427 35.222 48.949 1.00 21.53 O +ATOM 307 CB SER B 64 32.010 32.882 48.898 1.00 21.50 C +ATOM 308 OG SER B 64 32.756 31.717 48.588 1.00 25.89 O +ATOM 309 N ARG B 65 34.824 33.496 47.568 1.00 14.14 N +ATOM 310 CA ARG B 65 36.273 33.609 47.734 1.00 20.57 C +ATOM 311 C ARG B 65 36.950 33.953 46.421 1.00 19.61 C +ATOM 312 O ARG B 65 38.149 33.727 46.253 1.00 15.79 O +ATOM 313 CB ARG B 65 36.867 32.321 48.327 1.00 28.07 C +ATOM 314 CG ARG B 65 36.435 32.035 49.756 1.00 29.64 C +ATOM 315 CD ARG B 65 36.918 33.122 50.690 1.00 37.75 C +ATOM 316 NE ARG B 65 36.359 32.984 52.032 1.00 48.79 N +ATOM 317 CZ ARG B 65 35.198 33.507 52.429 1.00 56.81 C +ATOM 318 NH1 ARG B 65 34.452 34.211 51.587 1.00 55.02 N +ATOM 319 NH2 ARG B 65 34.776 33.322 53.678 1.00 61.05 N +ATOM 320 N SER B 66 36.163 34.503 45.499 1.00 15.34 N +ATOM 321 CA SER B 66 36.648 34.924 44.181 1.00 13.29 C +ATOM 322 C SER B 66 37.404 33.823 43.464 1.00 14.01 C +ATOM 323 O SER B 66 38.518 34.043 42.982 1.00 14.70 O +ATOM 324 CB SER B 66 37.545 36.161 44.271 1.00 17.26 C +ATOM 325 OG SER B 66 36.779 37.340 44.407 1.00 22.64 O +ATOM 326 N THR B 67 36.814 32.638 43.405 1.00 9.58 N +ATOM 327 CA THR B 67 37.426 31.566 42.640 1.00 8.30 C +ATOM 328 C THR B 67 36.504 31.207 41.448 1.00 13.60 C +ATOM 329 O THR B 67 35.354 31.687 41.350 1.00 9.25 O +ATOM 330 CB THR B 67 37.747 30.355 43.534 1.00 8.63 C +ATOM 331 OG1 THR B 67 36.538 29.843 44.098 1.00 7.77 O +ATOM 332 CG2 THR B 67 38.724 30.753 44.677 1.00 15.04 C +ATOM 333 N TYR B 68 37.014 30.390 40.535 1.00 11.23 N +ATOM 334 CA TYR B 68 36.243 30.013 39.360 1.00 9.03 C +ATOM 335 C TYR B 68 36.606 28.605 38.882 1.00 11.64 C +ATOM 336 O TYR B 68 37.627 28.031 39.311 1.00 10.70 O +ATOM 337 CB TYR B 68 36.446 31.041 38.229 1.00 11.27 C +ATOM 338 CG TYR B 68 37.855 31.072 37.664 1.00 10.53 C +ATOM 339 CD1 TYR B 68 38.852 31.854 38.265 1.00 8.91 C +ATOM 340 CD2 TYR B 68 38.194 30.315 36.542 1.00 10.40 C +ATOM 341 CE1 TYR B 68 40.139 31.885 37.756 1.00 11.87 C +ATOM 342 CE2 TYR B 68 39.486 30.348 36.015 1.00 12.09 C +ATOM 343 CZ TYR B 68 40.450 31.131 36.624 1.00 15.87 C +ATOM 344 OH TYR B 68 41.732 31.156 36.113 1.00 15.12 O +ATOM 345 N ASN B 69 35.749 28.052 38.019 1.00 6.94 N +ATOM 346 CA ASN B 69 36.019 26.813 37.315 1.00 7.38 C +ATOM 347 C ASN B 69 35.774 27.074 35.855 1.00 10.93 C +ATOM 348 O ASN B 69 34.774 27.704 35.505 1.00 11.58 O +ATOM 349 CB ASN B 69 35.086 25.691 37.764 1.00 10.74 C +ATOM 350 CG ASN B 69 35.278 25.334 39.209 1.00 13.67 C +ATOM 351 OD1 ASN B 69 34.545 25.818 40.063 1.00 13.19 O +ATOM 352 ND2 ASN B 69 36.281 24.498 39.497 1.00 8.98 N +ATOM 353 N ASP B 70 36.698 26.615 35.012 1.00 8.38 N +ATOM 354 CA ASP B 70 36.583 26.740 33.552 1.00 8.32 C +ATOM 355 C ASP B 70 36.375 25.379 32.919 1.00 9.40 C +ATOM 356 O ASP B 70 36.919 24.368 33.398 1.00 10.00 O +ATOM 357 CB ASP B 70 37.877 27.313 32.957 1.00 17.24 C +ATOM 358 CG ASP B 70 37.947 28.815 33.025 1.00 18.75 C +ATOM 359 OD1 ASP B 70 37.158 29.411 33.763 1.00 14.38 O +ATOM 360 OD2 ASP B 70 38.808 29.402 32.335 1.00 25.62 O +ATOM 361 N THR B 71 35.622 25.351 31.823 1.00 10.67 N +ATOM 362 CA THR B 71 35.551 24.153 30.993 1.00 11.62 C +ATOM 363 C THR B 71 35.402 24.490 29.509 1.00 8.51 C +ATOM 364 O THR B 71 34.701 25.431 29.145 1.00 10.36 O +ATOM 365 CB THR B 71 34.436 23.144 31.445 1.00 13.12 C +ATOM 366 OG1 THR B 71 34.569 21.919 30.703 1.00 14.97 O +ATOM 367 CG2 THR B 71 33.051 23.723 31.228 1.00 11.22 C +ATOM 368 N GLU B 72 36.098 23.718 28.673 1.00 9.60 N +ATOM 369 CA GLU B 72 35.934 23.772 27.225 1.00 10.49 C +ATOM 370 C GLU B 72 35.096 22.601 26.761 1.00 9.67 C +ATOM 371 O GLU B 72 34.965 22.380 25.563 1.00 14.58 O +ATOM 372 CB GLU B 72 37.293 23.706 26.520 1.00 16.13 C +ATOM 373 CG GLU B 72 38.073 25.010 26.552 1.00 23.76 C +ATOM 374 CD GLU B 72 38.569 25.361 27.952 1.00 35.60 C +ATOM 375 OE1 GLU B 72 39.309 24.540 28.549 1.00 38.26 O +ATOM 376 OE2 GLU B 72 38.229 26.460 28.458 1.00 37.35 O +ATOM 377 N ASP B 73 34.562 21.835 27.706 1.00 10.65 N +ATOM 378 CA ASP B 73 33.726 20.674 27.372 1.00 15.17 C +ATOM 379 C ASP B 73 32.271 21.083 27.153 1.00 13.46 C +ATOM 380 O ASP B 73 31.406 20.888 28.001 1.00 15.75 O +ATOM 381 CB ASP B 73 33.839 19.571 28.428 1.00 16.31 C +ATOM 382 CG ASP B 73 33.107 18.284 28.018 1.00 18.04 C +ATOM 383 OD1 ASP B 73 32.966 18.018 26.805 1.00 15.84 O +ATOM 384 OD2 ASP B 73 32.684 17.541 28.924 1.00 19.32 O +ATOM 385 N VAL B 74 32.027 21.656 25.989 1.00 13.24 N +ATOM 386 CA VAL B 74 30.745 22.212 25.635 1.00 14.11 C +ATOM 387 C VAL B 74 29.953 21.228 24.766 1.00 13.72 C +ATOM 388 O VAL B 74 30.516 20.552 23.915 1.00 14.85 O +ATOM 389 CB VAL B 74 30.971 23.498 24.842 1.00 16.77 C +ATOM 390 CG1 VAL B 74 29.653 24.092 24.405 1.00 18.70 C +ATOM 391 CG2 VAL B 74 31.788 24.502 25.683 1.00 15.74 C +ATOM 392 N SER B 75 28.650 21.132 24.990 1.00 9.75 N +ATOM 393 CA SER B 75 27.791 20.379 24.078 1.00 8.26 C +ATOM 394 C SER B 75 26.423 21.078 23.953 1.00 12.02 C +ATOM 395 O SER B 75 26.143 22.043 24.661 1.00 12.21 O +ATOM 396 CB SER B 75 27.653 18.932 24.542 1.00 8.20 C +ATOM 397 OG SER B 75 27.135 18.911 25.861 1.00 10.55 O +ATOM 398 N GLN B 76 25.585 20.619 23.034 1.00 12.57 N +ATOM 399 CA GLN B 76 24.345 21.330 22.727 1.00 9.33 C +ATOM 400 C GLN B 76 23.117 20.553 23.126 1.00 10.46 C +ATOM 401 O GLN B 76 23.035 19.343 22.899 1.00 9.70 O +ATOM 402 CB GLN B 76 24.241 21.593 21.229 1.00 10.45 C +ATOM 403 CG GLN B 76 25.431 22.296 20.638 1.00 12.80 C +ATOM 404 CD GLN B 76 25.144 22.798 19.245 1.00 15.35 C +ATOM 405 OE1 GLN B 76 25.844 22.453 18.297 1.00 19.90 O +ATOM 406 NE2 GLN B 76 24.098 23.604 19.110 1.00 19.84 N +ATOM 407 N ALA B 77 22.139 21.261 23.678 1.00 12.61 N +ATOM 408 CA ALA B 77 20.842 20.664 23.996 1.00 15.71 C +ATOM 409 C ALA B 77 19.877 20.824 22.813 1.00 21.94 C +ATOM 410 O ALA B 77 18.936 20.047 22.651 1.00 23.68 O +ATOM 411 CB ALA B 77 20.260 21.269 25.276 1.00 10.86 C +ATOM 412 N SER B 78 20.135 21.826 21.981 1.00 20.57 N +ATOM 413 CA SER B 78 19.350 22.080 20.782 1.00 20.26 C +ATOM 414 C SER B 78 20.233 22.881 19.830 1.00 20.80 C +ATOM 415 O SER B 78 21.326 23.292 20.204 1.00 16.85 O +ATOM 416 CB SER B 78 18.081 22.857 21.128 1.00 21.75 C +ATOM 417 OG SER B 78 18.382 24.138 21.666 1.00 28.41 O +ATOM 418 N PRO B 79 19.766 23.124 18.598 1.00 23.39 N +ATOM 419 CA PRO B 79 20.686 23.735 17.632 1.00 23.59 C +ATOM 420 C PRO B 79 21.068 25.183 17.966 1.00 20.52 C +ATOM 421 O PRO B 79 22.096 25.664 17.493 1.00 21.24 O +ATOM 422 CB PRO B 79 19.904 23.662 16.310 1.00 24.75 C +ATOM 423 CG PRO B 79 18.810 22.666 16.549 1.00 27.03 C +ATOM 424 CD PRO B 79 18.464 22.810 17.992 1.00 23.76 C +ATOM 425 N SER B 80 20.276 25.856 18.792 1.00 23.85 N +ATOM 426 CA SER B 80 20.569 27.246 19.151 1.00 27.61 C +ATOM 427 C SER B 80 21.186 27.407 20.543 1.00 23.88 C +ATOM 428 O SER B 80 21.205 28.507 21.091 1.00 21.83 O +ATOM 429 CB SER B 80 19.290 28.074 19.086 1.00 35.85 C +ATOM 430 OG SER B 80 18.320 27.574 20.002 1.00 40.35 O +ATOM 431 N GLU B 81 21.684 26.320 21.117 1.00 15.83 N +ATOM 432 CA GLU B 81 22.183 26.363 22.489 1.00 15.58 C +ATOM 433 C GLU B 81 23.427 25.503 22.674 1.00 14.56 C +ATOM 434 O GLU B 81 23.534 24.423 22.099 1.00 12.88 O +ATOM 435 CB GLU B 81 21.089 25.900 23.459 1.00 15.95 C +ATOM 436 CG GLU B 81 21.445 25.997 24.952 1.00 13.74 C +ATOM 437 CD GLU B 81 21.861 24.668 25.601 1.00 13.91 C +ATOM 438 OE1 GLU B 81 22.483 23.825 24.926 1.00 14.16 O +ATOM 439 OE2 GLU B 81 21.562 24.456 26.804 1.00 14.75 O +ATOM 440 N SER B 82 24.362 25.993 23.484 1.00 13.98 N +ATOM 441 CA SER B 82 25.423 25.149 24.008 1.00 12.70 C +ATOM 442 C SER B 82 25.441 25.296 25.526 1.00 9.62 C +ATOM 443 O SER B 82 24.843 26.221 26.071 1.00 10.63 O +ATOM 444 CB SER B 82 26.778 25.469 23.368 1.00 16.19 C +ATOM 445 OG SER B 82 27.252 26.752 23.718 1.00 19.61 O +ATOM 446 N GLU B 83 26.100 24.367 26.207 1.00 10.99 N +ATOM 447 CA GLU B 83 26.042 24.314 27.663 1.00 10.57 C +ATOM 448 C GLU B 83 27.204 23.521 28.243 1.00 10.93 C +ATOM 449 O GLU B 83 27.864 22.767 27.536 1.00 12.98 O +ATOM 450 CB GLU B 83 24.705 23.707 28.135 1.00 13.46 C +ATOM 451 CG GLU B 83 24.487 22.229 27.758 1.00 9.71 C +ATOM 452 CD GLU B 83 23.183 21.664 28.318 1.00 17.43 C +ATOM 453 OE1 GLU B 83 22.107 22.260 28.080 1.00 16.53 O +ATOM 454 OE2 GLU B 83 23.236 20.621 28.998 1.00 19.26 O +ATOM 455 N ALA B 84 27.455 23.709 29.534 1.00 13.00 N +ATOM 456 CA ALA B 84 28.492 22.974 30.253 1.00 12.37 C +ATOM 457 C ALA B 84 28.001 22.834 31.676 1.00 13.42 C +ATOM 458 O ALA B 84 27.145 23.608 32.113 1.00 12.78 O +ATOM 459 CB ALA B 84 29.811 23.735 30.233 1.00 13.22 C +ATOM 460 N ARG B 85 28.561 21.873 32.407 1.00 14.44 N +ATOM 461 CA ARG B 85 28.117 21.569 33.765 1.00 12.21 C +ATOM 462 C ARG B 85 29.287 21.539 34.706 1.00 13.55 C +ATOM 463 O ARG B 85 30.388 21.139 34.329 1.00 15.04 O +ATOM 464 CB ARG B 85 27.392 20.225 33.817 1.00 13.30 C +ATOM 465 CG ARG B 85 25.977 20.331 33.345 1.00 21.83 C +ATOM 466 CD ARG B 85 25.359 19.010 32.943 1.00 26.13 C +ATOM 467 NE ARG B 85 24.268 19.315 32.025 1.00 27.41 N +ATOM 468 CZ ARG B 85 22.980 19.242 32.324 1.00 22.40 C +ATOM 469 NH1 ARG B 85 22.581 18.803 33.525 1.00 15.30 N +ATOM 470 NH2 ARG B 85 22.100 19.584 31.390 1.00 20.54 N +ATOM 471 N PHE B 86 29.032 21.975 35.938 1.00 12.17 N +ATOM 472 CA PHE B 86 30.015 21.945 36.995 1.00 9.56 C +ATOM 473 C PHE B 86 29.332 21.308 38.191 1.00 14.91 C +ATOM 474 O PHE B 86 28.346 21.829 38.714 1.00 16.28 O +ATOM 475 CB PHE B 86 30.475 23.363 37.356 1.00 12.76 C +ATOM 476 CG PHE B 86 30.971 24.159 36.175 1.00 14.49 C +ATOM 477 CD1 PHE B 86 32.317 24.165 35.839 1.00 10.22 C +ATOM 478 CD2 PHE B 86 30.082 24.915 35.403 1.00 17.89 C +ATOM 479 CE1 PHE B 86 32.769 24.907 34.753 1.00 13.78 C +ATOM 480 CE2 PHE B 86 30.527 25.655 34.321 1.00 18.38 C +ATOM 481 CZ PHE B 86 31.873 25.650 33.992 1.00 12.12 C +ATOM 482 N ARG B 87 29.855 20.170 38.611 1.00 15.51 N +ATOM 483 CA AARG B 87 29.261 19.433 39.719 0.65 17.03 C +ATOM 484 CA BARG B 87 29.275 19.411 39.707 0.35 17.16 C +ATOM 485 C ARG B 87 30.151 19.522 40.949 1.00 17.38 C +ATOM 486 O ARG B 87 31.362 19.310 40.881 1.00 20.14 O +ATOM 487 CB AARG B 87 29.029 17.973 39.327 0.65 18.42 C +ATOM 488 CB BARG B 87 29.149 17.950 39.285 0.35 18.45 C +ATOM 489 CG AARG B 87 28.682 17.035 40.473 0.65 19.42 C +ATOM 490 CG BARG B 87 28.595 17.005 40.325 0.35 20.48 C +ATOM 491 CD AARG B 87 28.680 15.580 39.993 0.65 23.54 C +ATOM 492 CD BARG B 87 28.604 15.583 39.776 0.35 23.20 C +ATOM 493 NE AARG B 87 28.330 14.654 41.067 0.65 27.20 N +ATOM 494 NE BARG B 87 27.754 14.696 40.560 0.35 26.43 N +ATOM 495 CZ AARG B 87 27.109 14.160 41.269 0.65 29.58 C +ATOM 496 CZ BARG B 87 28.150 14.071 41.662 0.35 28.63 C +ATOM 497 NH1AARG B 87 26.106 14.492 40.465 0.65 31.13 N +ATOM 498 NH1BARG B 87 27.312 13.282 42.324 0.35 30.38 N +ATOM 499 NH2AARG B 87 26.887 13.329 42.282 0.65 30.69 N +ATOM 500 NH2BARG B 87 29.388 14.238 42.102 0.35 27.17 N +ATOM 501 N ILE B 88 29.539 19.869 42.072 1.00 12.61 N +ATOM 502 CA ILE B 88 30.203 19.825 43.363 1.00 18.76 C +ATOM 503 C ILE B 88 29.622 18.573 44.001 1.00 18.67 C +ATOM 504 O ILE B 88 28.424 18.528 44.295 1.00 15.25 O +ATOM 505 CB ILE B 88 29.854 21.050 44.248 1.00 15.31 C +ATOM 506 CG1 ILE B 88 30.236 22.367 43.555 1.00 10.83 C +ATOM 507 CG2 ILE B 88 30.498 20.924 45.639 1.00 16.31 C +ATOM 508 CD1 ILE B 88 29.762 23.607 44.328 1.00 15.45 C +ATOM 509 N ASP B 89 30.454 17.550 44.178 1.00 22.75 N +ATOM 510 CA ASP B 89 29.953 16.245 44.619 1.00 25.93 C +ATOM 511 C ASP B 89 29.496 16.219 46.067 1.00 19.10 C +ATOM 512 O ASP B 89 28.586 15.474 46.418 1.00 21.08 O +ATOM 513 CB ASP B 89 30.979 15.134 44.424 1.00 31.59 C +ATOM 514 CG ASP B 89 30.460 13.791 44.921 1.00 42.52 C +ATOM 515 OD1 ASP B 89 29.328 13.409 44.529 1.00 42.93 O +ATOM 516 OD2 ASP B 89 31.165 13.134 45.720 1.00 47.33 O +ATOM 517 N SER B 90 30.140 17.020 46.902 1.00 15.52 N +ATOM 518 CA SER B 90 29.837 17.013 48.324 1.00 19.42 C +ATOM 519 C SER B 90 29.874 18.419 48.917 1.00 18.00 C +ATOM 520 O SER B 90 30.929 18.920 49.322 1.00 21.80 O +ATOM 521 CB SER B 90 30.792 16.068 49.061 1.00 17.73 C +ATOM 522 OG SER B 90 30.529 16.068 50.453 1.00 24.62 O +ATOM 523 N VAL B 91 28.707 19.052 48.975 1.00 19.96 N +ATOM 524 CA VAL B 91 28.589 20.437 49.448 1.00 17.01 C +ATOM 525 C VAL B 91 29.074 20.598 50.889 1.00 16.98 C +ATOM 526 O VAL B 91 28.727 19.789 51.770 1.00 22.25 O +ATOM 527 CB VAL B 91 27.124 20.946 49.296 1.00 21.50 C +ATOM 528 CG1 VAL B 91 26.842 22.122 50.240 1.00 23.97 C +ATOM 529 CG2 VAL B 91 26.857 21.345 47.835 1.00 14.06 C +ATOM 530 N SER B 92 29.890 21.622 51.127 1.00 15.85 N +ATOM 531 CA SER B 92 30.286 21.976 52.490 1.00 20.47 C +ATOM 532 C SER B 92 29.732 23.360 52.844 1.00 19.30 C +ATOM 533 O SER B 92 29.146 24.032 52.002 1.00 17.18 O +ATOM 534 CB SER B 92 31.806 21.939 52.634 1.00 19.99 C +ATOM 535 OG SER B 92 32.397 22.925 51.806 1.00 21.12 O +ATOM 536 N GLU B 93 29.905 23.788 54.087 1.00 19.68 N +ATOM 537 CA GLU B 93 29.408 25.098 54.499 1.00 18.02 C +ATOM 538 C GLU B 93 29.971 26.229 53.636 1.00 18.07 C +ATOM 539 O GLU B 93 29.262 27.169 53.301 1.00 18.60 O +ATOM 540 CB GLU B 93 29.716 25.347 55.974 1.00 20.24 C +ATOM 541 CG GLU B 93 29.079 24.336 56.914 1.00 31.84 C +ATOM 542 CD GLU B 93 27.553 24.295 56.811 1.00 50.84 C +ATOM 543 OE1 GLU B 93 26.940 25.274 56.322 1.00 52.97 O +ATOM 544 OE2 GLU B 93 26.963 23.275 57.232 1.00 60.93 O +ATOM 545 N GLY B 94 31.246 26.114 53.271 1.00 16.79 N +ATOM 546 CA GLY B 94 31.911 27.074 52.405 1.00 16.74 C +ATOM 547 C GLY B 94 31.304 27.235 51.017 1.00 14.69 C +ATOM 548 O GLY B 94 31.559 28.234 50.355 1.00 15.18 O +ATOM 549 N ASN B 95 30.498 26.270 50.577 1.00 13.84 N +ATOM 550 CA ASN B 95 29.807 26.386 49.289 1.00 15.97 C +ATOM 551 C ASN B 95 28.594 27.336 49.255 1.00 15.51 C +ATOM 552 O ASN B 95 28.041 27.604 48.183 1.00 13.80 O +ATOM 553 CB ASN B 95 29.372 25.012 48.760 1.00 14.27 C +ATOM 554 CG ASN B 95 30.536 24.131 48.378 1.00 14.83 C +ATOM 555 OD1 ASN B 95 30.586 22.975 48.775 1.00 14.12 O +ATOM 556 ND2 ASN B 95 31.468 24.661 47.594 1.00 11.72 N +ATOM 557 N ALA B 96 28.163 27.829 50.411 1.00 15.54 N +ATOM 558 CA ALA B 96 27.065 28.783 50.416 1.00 16.78 C +ATOM 559 C ALA B 96 27.528 30.079 49.763 1.00 17.93 C +ATOM 560 O ALA B 96 28.692 30.460 49.891 1.00 21.44 O +ATOM 561 CB ALA B 96 26.583 29.037 51.817 1.00 15.40 C +ATOM 562 N GLY B 97 26.630 30.749 49.041 1.00 15.82 N +ATOM 563 CA GLY B 97 26.962 32.028 48.453 1.00 9.81 C +ATOM 564 C GLY B 97 26.574 32.165 47.002 1.00 9.06 C +ATOM 565 O GLY B 97 25.957 31.256 46.436 1.00 10.04 O +ATOM 566 N PRO B 98 26.907 33.326 46.398 1.00 12.51 N +ATOM 567 CA PRO B 98 26.519 33.607 45.009 1.00 13.30 C +ATOM 568 C PRO B 98 27.380 32.903 43.951 1.00 10.99 C +ATOM 569 O PRO B 98 28.608 32.788 44.091 1.00 10.44 O +ATOM 570 CB PRO B 98 26.650 35.137 44.897 1.00 7.88 C +ATOM 571 CG PRO B 98 26.720 35.634 46.340 1.00 14.89 C +ATOM 572 CD PRO B 98 27.413 34.532 47.078 1.00 12.11 C +ATOM 573 N TYR B 99 26.708 32.427 42.908 1.00 6.74 N +ATOM 574 CA TYR B 99 27.364 31.805 41.759 1.00 8.90 C +ATOM 575 C TYR B 99 26.831 32.454 40.487 1.00 10.49 C +ATOM 576 O TYR B 99 25.644 32.778 40.415 1.00 8.98 O +ATOM 577 CB TYR B 99 27.066 30.295 41.696 1.00 11.74 C +ATOM 578 CG TYR B 99 27.731 29.479 42.783 1.00 12.82 C +ATOM 579 CD1 TYR B 99 28.880 28.730 42.520 1.00 13.77 C +ATOM 580 CD2 TYR B 99 27.212 29.459 44.071 1.00 12.34 C +ATOM 581 CE1 TYR B 99 29.492 27.977 43.517 1.00 11.00 C +ATOM 582 CE2 TYR B 99 27.828 28.722 45.081 1.00 11.49 C +ATOM 583 CZ TYR B 99 28.964 27.987 44.792 1.00 15.45 C +ATOM 584 OH TYR B 99 29.555 27.244 45.781 1.00 14.90 O +ATOM 585 N ARG B 100 27.710 32.634 39.499 1.00 7.51 N +ATOM 586 CA ARG B 100 27.323 33.120 38.170 1.00 4.32 C +ATOM 587 C ARG B 100 28.099 32.334 37.121 1.00 6.92 C +ATOM 588 O ARG B 100 29.102 31.710 37.436 1.00 9.41 O +ATOM 589 CB ARG B 100 27.658 34.612 38.011 1.00 8.80 C +ATOM 590 CG ARG B 100 27.017 35.534 39.051 1.00 4.30 C +ATOM 591 CD ARG B 100 27.705 36.892 39.071 1.00 7.30 C +ATOM 592 NE ARG B 100 26.992 37.827 39.932 1.00 8.23 N +ATOM 593 CZ ARG B 100 27.159 37.925 41.248 1.00 8.89 C +ATOM 594 NH1 ARG B 100 28.030 37.137 41.863 1.00 10.31 N +ATOM 595 NH2 ARG B 100 26.462 38.821 41.958 1.00 8.68 N +ATOM 596 N ACYS B 101 27.609 32.410 35.881 0.52 7.19 N +ATOM 597 N BCYS B 101 27.640 32.307 35.884 0.48 7.58 N +ATOM 598 CA ACYS B 101 28.226 31.809 34.698 0.52 8.47 C +ATOM 599 CA BCYS B 101 28.517 31.788 34.846 0.48 7.96 C +ATOM 600 C ACYS B 101 28.713 32.930 33.770 0.52 10.72 C +ATOM 601 C BCYS B 101 28.693 32.830 33.751 0.48 10.27 C +ATOM 602 O ACYS B 101 28.126 34.009 33.727 0.52 9.98 O +ATOM 603 O BCYS B 101 27.892 33.769 33.599 0.48 9.41 O +ATOM 604 CB ACYS B 101 27.204 30.943 33.936 0.52 18.29 C +ATOM 605 CB BCYS B 101 28.039 30.420 34.321 0.48 12.57 C +ATOM 606 SG ACYS B 101 26.702 29.391 34.734 0.52 13.02 S +ATOM 607 SG BCYS B 101 26.437 30.472 33.474 0.48 45.41 S +ATOM 608 N ILE B 102 29.782 32.681 33.020 1.00 9.85 N +ATOM 609 CA ILE B 102 30.166 33.608 31.988 1.00 10.72 C +ATOM 610 C ILE B 102 30.766 32.719 30.886 1.00 9.71 C +ATOM 611 O ILE B 102 31.280 31.647 31.172 1.00 8.79 O +ATOM 612 CB ILE B 102 31.153 34.658 32.556 1.00 9.15 C +ATOM 613 CG1 ILE B 102 31.388 35.789 31.558 1.00 12.94 C +ATOM 614 CG2 ILE B 102 32.452 33.998 32.992 1.00 8.84 C +ATOM 615 CD1 ILE B 102 32.486 36.752 31.989 1.00 14.93 C +ATOM 616 N TYR B 103 30.664 33.130 29.633 1.00 10.37 N +ATOM 617 CA TYR B 103 31.246 32.323 28.563 1.00 13.51 C +ATOM 618 C TYR B 103 32.184 33.098 27.656 1.00 10.40 C +ATOM 619 O TYR B 103 32.047 34.292 27.506 1.00 10.81 O +ATOM 620 CB TYR B 103 30.170 31.606 27.724 1.00 8.95 C +ATOM 621 CG TYR B 103 29.218 32.485 26.925 1.00 11.25 C +ATOM 622 CD1 TYR B 103 29.563 32.977 25.669 1.00 10.61 C +ATOM 623 CD2 TYR B 103 27.942 32.774 27.421 1.00 10.93 C +ATOM 624 CE1 TYR B 103 28.670 33.756 24.936 1.00 13.45 C +ATOM 625 CE2 TYR B 103 27.055 33.545 26.711 1.00 14.58 C +ATOM 626 CZ TYR B 103 27.414 34.038 25.476 1.00 11.22 C +ATOM 627 OH TYR B 103 26.492 34.799 24.797 1.00 10.75 O +ATOM 628 N TYR B 104 33.147 32.395 27.072 1.00 11.13 N +ATOM 629 CA TYR B 104 33.982 32.965 26.040 1.00 14.78 C +ATOM 630 C TYR B 104 33.599 32.411 24.687 1.00 15.53 C +ATOM 631 O TYR B 104 33.648 31.208 24.471 1.00 14.18 O +ATOM 632 CB TYR B 104 35.468 32.693 26.278 1.00 13.69 C +ATOM 633 CG TYR B 104 36.299 33.347 25.200 1.00 12.58 C +ATOM 634 CD1 TYR B 104 36.524 34.705 25.215 1.00 16.33 C +ATOM 635 CD2 TYR B 104 36.787 32.617 24.126 1.00 17.44 C +ATOM 636 CE1 TYR B 104 37.250 35.325 24.219 1.00 20.97 C +ATOM 637 CE2 TYR B 104 37.511 33.225 23.126 1.00 24.19 C +ATOM 638 CZ TYR B 104 37.740 34.588 23.181 1.00 24.41 C +ATOM 639 OH TYR B 104 38.458 35.228 22.192 1.00 26.86 O +ATOM 640 N LYS B 105 33.218 33.302 23.780 1.00 16.96 N +ATOM 641 CA LYS B 105 32.992 32.944 22.384 1.00 15.72 C +ATOM 642 C LYS B 105 33.771 33.936 21.521 1.00 20.49 C +ATOM 643 O LYS B 105 33.438 35.122 21.502 1.00 22.10 O +ATOM 644 CB LYS B 105 31.487 32.959 22.074 1.00 11.82 C +ATOM 645 CG LYS B 105 31.148 32.791 20.618 1.00 18.76 C +ATOM 646 CD LYS B 105 29.651 32.749 20.423 1.00 19.68 C +ATOM 647 CE LYS B 105 29.315 32.483 18.961 1.00 22.53 C +ATOM 648 NZ LYS B 105 27.843 32.427 18.735 1.00 24.91 N +ATOM 649 N PRO B 106 34.826 33.461 20.817 1.00 22.58 N +ATOM 650 CA PRO B 106 35.702 34.370 20.050 1.00 23.51 C +ATOM 651 C PRO B 106 34.920 35.502 19.370 1.00 19.89 C +ATOM 652 O PRO B 106 33.965 35.244 18.638 1.00 21.14 O +ATOM 653 CB PRO B 106 36.336 33.449 18.988 1.00 24.44 C +ATOM 654 CG PRO B 106 36.318 32.084 19.598 1.00 24.70 C +ATOM 655 CD PRO B 106 35.143 32.037 20.568 1.00 26.45 C +ATOM 656 N PRO B 107 35.350 36.756 19.579 1.00 25.03 N +ATOM 657 CA PRO B 107 36.590 37.070 20.286 1.00 26.06 C +ATOM 658 C PRO B 107 36.329 37.701 21.643 1.00 25.69 C +ATOM 659 O PRO B 107 37.238 38.341 22.158 1.00 24.41 O +ATOM 660 CB PRO B 107 37.198 38.125 19.371 1.00 24.98 C +ATOM 661 CG PRO B 107 35.975 38.946 18.986 1.00 23.64 C +ATOM 662 CD PRO B 107 34.793 37.971 18.950 1.00 23.06 C +ATOM 663 N LYS B 108 35.132 37.515 22.203 1.00 21.39 N +ATOM 664 CA LYS B 108 34.727 38.187 23.448 1.00 20.99 C +ATOM 665 C LYS B 108 34.243 37.240 24.574 1.00 17.42 C +ATOM 666 O LYS B 108 33.749 36.137 24.316 1.00 20.97 O +ATOM 667 CB LYS B 108 33.588 39.175 23.158 1.00 20.45 C +ATOM 668 CG LYS B 108 33.970 40.493 22.528 1.00 32.11 C +ATOM 669 CD LYS B 108 32.793 41.468 22.617 1.00 39.87 C +ATOM 670 CE LYS B 108 31.466 40.791 22.265 1.00 42.37 C +ATOM 671 NZ LYS B 108 30.312 41.746 22.246 1.00 44.14 N +ATOM 672 N TRP B 109 34.384 37.694 25.819 1.00 15.53 N +ATOM 673 CA TRP B 109 33.628 37.133 26.943 1.00 16.57 C +ATOM 674 C TRP B 109 32.238 37.788 26.983 1.00 16.94 C +ATOM 675 O TRP B 109 32.087 38.976 26.674 1.00 16.94 O +ATOM 676 CB TRP B 109 34.338 37.354 28.280 1.00 14.06 C +ATOM 677 CG TRP B 109 35.545 36.476 28.528 1.00 19.71 C +ATOM 678 CD1 TRP B 109 36.840 36.781 28.237 1.00 21.22 C +ATOM 679 CD2 TRP B 109 35.567 35.166 29.136 1.00 16.03 C +ATOM 680 NE1 TRP B 109 37.667 35.750 28.620 1.00 24.23 N +ATOM 681 CE2 TRP B 109 36.916 34.752 29.171 1.00 21.45 C +ATOM 682 CE3 TRP B 109 34.582 34.310 29.646 1.00 13.57 C +ATOM 683 CZ2 TRP B 109 37.301 33.515 29.693 1.00 19.24 C +ATOM 684 CZ3 TRP B 109 34.969 33.082 30.170 1.00 14.84 C +ATOM 685 CH2 TRP B 109 36.316 32.697 30.190 1.00 18.12 C +ATOM 686 N SER B 110 31.229 37.011 27.360 1.00 15.42 N +ATOM 687 CA SER B 110 29.874 37.520 27.520 1.00 10.50 C +ATOM 688 C SER B 110 29.816 38.299 28.818 1.00 12.71 C +ATOM 689 O SER B 110 30.801 38.365 29.553 1.00 7.91 O +ATOM 690 CB SER B 110 28.865 36.374 27.586 1.00 6.49 C +ATOM 691 OG SER B 110 29.028 35.627 28.799 1.00 10.28 O +ATOM 692 N GLU B 111 28.649 38.878 29.091 1.00 13.26 N +ATOM 693 CA GLU B 111 28.334 39.409 30.408 1.00 12.98 C +ATOM 694 C GLU B 111 28.105 38.245 31.351 1.00 12.48 C +ATOM 695 O GLU B 111 27.707 37.157 30.927 1.00 15.06 O +ATOM 696 CB GLU B 111 27.062 40.245 30.359 1.00 11.93 C +ATOM 697 CG GLU B 111 27.231 41.579 29.696 1.00 19.82 C +ATOM 698 CD GLU B 111 25.907 42.164 29.261 1.00 23.49 C +ATOM 699 OE1 GLU B 111 24.990 41.376 28.926 1.00 33.49 O +ATOM 700 OE2 GLU B 111 25.794 43.402 29.240 1.00 20.49 O +ATOM 701 N GLN B 112 28.350 38.453 32.634 1.00 7.28 N +ATOM 702 CA GLN B 112 28.016 37.408 33.573 1.00 10.91 C +ATOM 703 C GLN B 112 26.498 37.203 33.655 1.00 11.13 C +ATOM 704 O GLN B 112 25.716 38.155 33.512 1.00 8.43 O +ATOM 705 CB GLN B 112 28.551 37.741 34.968 1.00 10.77 C +ATOM 706 CG GLN B 112 30.024 38.001 35.052 1.00 10.68 C +ATOM 707 CD GLN B 112 30.340 38.661 36.369 1.00 15.83 C +ATOM 708 OE1 GLN B 112 30.201 39.869 36.519 1.00 21.61 O +ATOM 709 NE2 GLN B 112 30.726 37.872 37.338 1.00 14.23 N +ATOM 710 N SER B 113 26.098 35.956 33.912 1.00 8.06 N +ATOM 711 CA SER B 113 24.705 35.632 34.203 1.00 12.14 C +ATOM 712 C SER B 113 24.196 36.347 35.464 1.00 8.64 C +ATOM 713 O SER B 113 24.989 36.845 36.279 1.00 11.47 O +ATOM 714 CB SER B 113 24.539 34.112 34.389 1.00 8.00 C +ATOM 715 OG SER B 113 24.972 33.681 35.662 1.00 8.13 O +ATOM 716 N ASP B 114 22.871 36.394 35.612 1.00 9.52 N +ATOM 717 CA ASP B 114 22.261 36.663 36.908 1.00 7.35 C +ATOM 718 C ASP B 114 22.864 35.656 37.882 1.00 11.51 C +ATOM 719 O ASP B 114 23.287 34.568 37.466 1.00 15.42 O +ATOM 720 CB ASP B 114 20.745 36.455 36.863 1.00 11.23 C +ATOM 721 CG ASP B 114 20.053 37.304 35.809 1.00 17.92 C +ATOM 722 OD1 ASP B 114 20.401 38.474 35.628 1.00 17.19 O +ATOM 723 OD2 ASP B 114 19.124 36.792 35.155 1.00 24.62 O +ATOM 724 N TYR B 115 22.916 35.990 39.166 1.00 7.09 N +ATOM 725 CA TYR B 115 23.447 35.044 40.146 1.00 11.27 C +ATOM 726 C TYR B 115 22.346 34.136 40.680 1.00 13.99 C +ATOM 727 O TYR B 115 21.160 34.474 40.626 1.00 15.34 O +ATOM 728 CB TYR B 115 24.182 35.755 41.316 1.00 7.99 C +ATOM 729 CG TYR B 115 23.285 36.627 42.165 1.00 10.36 C +ATOM 730 CD1 TYR B 115 22.571 36.094 43.234 1.00 13.85 C +ATOM 731 CD2 TYR B 115 23.140 37.979 41.882 1.00 13.67 C +ATOM 732 CE1 TYR B 115 21.731 36.891 44.000 1.00 16.76 C +ATOM 733 CE2 TYR B 115 22.307 38.789 42.645 1.00 18.19 C +ATOM 734 CZ TYR B 115 21.606 38.237 43.701 1.00 19.95 C +ATOM 735 OH TYR B 115 20.781 39.050 44.449 1.00 22.90 O +ATOM 736 N LEU B 116 22.746 32.970 41.168 1.00 14.49 N +ATOM 737 CA LEU B 116 21.899 32.196 42.064 1.00 14.76 C +ATOM 738 C LEU B 116 22.687 31.996 43.355 1.00 14.46 C +ATOM 739 O LEU B 116 23.920 31.936 43.352 1.00 17.72 O +ATOM 740 CB LEU B 116 21.435 30.864 41.448 1.00 16.08 C +ATOM 741 CG LEU B 116 22.396 29.751 41.027 1.00 20.89 C +ATOM 742 CD1 LEU B 116 22.908 28.978 42.247 1.00 24.86 C +ATOM 743 CD2 LEU B 116 21.704 28.802 40.057 1.00 16.50 C +ATOM 744 N GLU B 117 21.980 31.931 44.464 1.00 11.57 N +ATOM 745 CA GLU B 117 22.641 31.747 45.741 1.00 16.95 C +ATOM 746 C GLU B 117 22.424 30.341 46.244 1.00 18.47 C +ATOM 747 O GLU B 117 21.278 29.898 46.390 1.00 21.34 O +ATOM 748 CB GLU B 117 22.173 32.787 46.758 1.00 24.90 C +ATOM 749 CG GLU B 117 22.728 34.166 46.455 1.00 34.48 C +ATOM 750 CD GLU B 117 22.220 35.217 47.406 1.00 40.06 C +ATOM 751 OE1 GLU B 117 21.016 35.169 47.758 1.00 46.40 O +ATOM 752 OE2 GLU B 117 23.020 36.092 47.798 1.00 34.36 O +ATOM 753 N LEU B 118 23.529 29.627 46.450 1.00 16.62 N +ATOM 754 CA LEU B 118 23.479 28.298 47.044 1.00 15.02 C +ATOM 755 C LEU B 118 23.288 28.441 48.550 1.00 17.02 C +ATOM 756 O LEU B 118 23.929 29.291 49.179 1.00 15.59 O +ATOM 757 CB LEU B 118 24.750 27.500 46.725 1.00 16.51 C +ATOM 758 CG LEU B 118 24.721 25.994 47.024 1.00 18.13 C +ATOM 759 CD1 LEU B 118 23.665 25.302 46.193 1.00 20.74 C +ATOM 760 CD2 LEU B 118 26.094 25.328 46.817 1.00 18.80 C +ATOM 761 N LEU B 119 22.376 27.629 49.094 1.00 19.82 N +ATOM 762 CA LEU B 119 22.123 27.505 50.536 1.00 24.20 C +ATOM 763 C LEU B 119 22.353 26.070 50.991 1.00 27.18 C +ATOM 764 O LEU B 119 21.777 25.142 50.430 1.00 28.55 O +ATOM 765 CB LEU B 119 20.684 27.871 50.860 1.00 23.78 C +ATOM 766 CG LEU B 119 20.459 29.295 51.332 1.00 28.59 C +ATOM 767 CD1 LEU B 119 21.670 29.740 52.161 1.00 35.93 C +ATOM 768 CD2 LEU B 119 20.218 30.208 50.143 1.00 28.66 C +ATOM 769 N VAL B 120 23.186 25.894 52.012 1.00 32.02 N +ATOM 770 CA VAL B 120 23.442 24.576 52.574 1.00 35.10 C +ATOM 771 C VAL B 120 22.409 24.245 53.657 1.00 38.52 C +ATOM 772 O VAL B 120 22.359 24.896 54.697 1.00 40.09 O +ATOM 773 CB VAL B 120 24.868 24.486 53.148 1.00 34.89 C +ATOM 774 CG1 VAL B 120 25.111 23.108 53.762 1.00 39.67 C +ATOM 775 CG2 VAL B 120 25.883 24.790 52.061 1.00 33.77 C +ATOM 776 N LYS B 121 21.581 23.238 53.399 1.00 41.26 N +ATOM 777 CA LYS B 121 20.503 22.866 54.311 1.00 44.87 C +ATOM 778 C LYS B 121 20.986 21.994 55.476 1.00 44.00 C +ATOM 779 O LYS B 121 22.182 21.918 55.777 1.00 39.45 O +ATOM 780 CB LYS B 121 19.391 22.141 53.550 1.00 47.83 C +ATOM 781 CG LYS B 121 18.066 22.096 54.285 1.00 53.64 C +ATOM 782 CD LYS B 121 17.191 20.960 53.779 1.00 60.48 C +ATOM 783 CE LYS B 121 15.755 21.103 54.273 1.00 64.88 C +ATOM 784 NZ LYS B 121 15.677 21.353 55.741 1.00 67.52 N Added: SwiftApps/modFTdock/input/indata/3kgr-3.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3kgr-3.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3kgr-3.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,804 @@ +ATOM 1 N ASP C 25 20.523 46.535 3.095 1.00 56.45 N +ATOM 2 CA ASP C 25 20.519 47.845 3.745 1.00 55.16 C +ATOM 3 C ASP C 25 19.117 48.274 4.188 1.00 48.76 C +ATOM 4 O ASP C 25 18.549 49.228 3.655 1.00 46.79 O +ATOM 5 CB ASP C 25 21.136 48.897 2.827 1.00 56.86 C +ATOM 6 CG ASP C 25 20.498 48.921 1.447 1.00 57.09 C +ATOM 7 OD1 ASP C 25 19.879 47.903 1.061 1.00 59.16 O +ATOM 8 OD2 ASP C 25 20.626 49.959 0.751 1.00 51.21 O +ATOM 9 N LEU C 26 18.573 47.552 5.165 1.00 44.85 N +ATOM 10 CA LEU C 26 17.249 47.828 5.713 1.00 35.92 C +ATOM 11 C LEU C 26 17.285 49.068 6.614 1.00 24.48 C +ATOM 12 O LEU C 26 18.180 49.211 7.448 1.00 29.03 O +ATOM 13 CB LEU C 26 16.769 46.617 6.520 1.00 37.44 C +ATOM 14 CG LEU C 26 16.015 45.485 5.826 1.00 39.17 C +ATOM 15 CD1 LEU C 26 16.169 45.569 4.326 1.00 44.02 C +ATOM 16 CD2 LEU C 26 16.523 44.148 6.341 1.00 36.83 C +ATOM 17 N PRO C 27 16.310 49.969 6.449 1.00 19.56 N +ATOM 18 CA PRO C 27 16.183 51.139 7.329 1.00 20.90 C +ATOM 19 C PRO C 27 16.014 50.710 8.787 1.00 23.62 C +ATOM 20 O PRO C 27 15.309 49.731 9.055 1.00 24.65 O +ATOM 21 CB PRO C 27 14.899 51.819 6.838 1.00 25.92 C +ATOM 22 CG PRO C 27 14.645 51.253 5.465 1.00 27.84 C +ATOM 23 CD PRO C 27 15.228 49.884 5.456 1.00 18.38 C +ATOM 24 N ARG C 28 16.653 51.421 9.712 1.00 17.17 N +ATOM 25 CA ARG C 28 16.540 51.093 11.127 1.00 17.35 C +ATOM 26 C ARG C 28 15.092 51.298 11.563 1.00 13.03 C +ATOM 27 O ARG C 28 14.503 52.324 11.236 1.00 14.57 O +ATOM 28 CB ARG C 28 17.491 51.961 11.972 1.00 16.57 C +ATOM 29 CG ARG C 28 17.375 51.711 13.472 1.00 21.36 C +ATOM 30 CD ARG C 28 18.332 52.568 14.317 1.00 31.78 C +ATOM 31 NE ARG C 28 19.711 52.574 13.818 1.00 40.74 N +ATOM 32 CZ ARG C 28 20.578 51.566 13.933 1.00 41.53 C +ATOM 33 NH1 ARG C 28 21.810 51.684 13.449 1.00 42.00 N +ATOM 34 NH2 ARG C 28 20.220 50.441 14.521 1.00 38.54 N +ATOM 35 N PRO C 29 14.503 50.314 12.282 1.00 16.71 N +ATOM 36 CA PRO C 29 13.114 50.465 12.731 1.00 17.58 C +ATOM 37 C PRO C 29 13.015 51.532 13.813 1.00 16.15 C +ATOM 38 O PRO C 29 14.031 51.858 14.442 1.00 17.89 O +ATOM 39 CB PRO C 29 12.795 49.086 13.333 1.00 19.14 C +ATOM 40 CG PRO C 29 14.130 48.577 13.787 1.00 17.82 C +ATOM 41 CD PRO C 29 15.037 48.989 12.648 1.00 16.35 C +ATOM 42 N SER C 30 11.820 52.075 14.021 1.00 15.08 N +ATOM 43 CA SER C 30 11.572 52.937 15.172 1.00 13.29 C +ATOM 44 C SER C 30 10.577 52.302 16.149 1.00 14.55 C +ATOM 45 O SER C 30 9.713 51.526 15.754 1.00 11.33 O +ATOM 46 CB SER C 30 11.065 54.312 14.726 1.00 21.76 C +ATOM 47 OG SER C 30 9.794 54.208 14.107 1.00 23.64 O +ATOM 48 N ILE C 31 10.708 52.653 17.426 1.00 16.21 N +ATOM 49 CA ILE C 31 9.776 52.204 18.443 1.00 13.21 C +ATOM 50 C ILE C 31 9.135 53.403 19.141 1.00 17.16 C +ATOM 51 O ILE C 31 9.809 54.375 19.464 1.00 19.24 O +ATOM 52 CB ILE C 31 10.454 51.266 19.484 1.00 13.53 C +ATOM 53 CG1 ILE C 31 9.408 50.680 20.451 1.00 12.76 C +ATOM 54 CG2 ILE C 31 11.592 51.984 20.230 1.00 10.56 C +ATOM 55 CD1 ILE C 31 9.978 49.604 21.386 1.00 11.90 C +ATOM 56 N ASER C 32 7.824 53.325 19.351 0.69 15.31 N +ATOM 57 N BSER C 32 7.828 53.321 19.362 0.31 15.27 N +ATOM 58 CA ASER C 32 7.084 54.352 20.076 0.69 16.43 C +ATOM 59 CA BSER C 32 7.107 54.349 20.097 0.31 16.26 C +ATOM 60 C ASER C 32 6.130 53.684 21.056 0.69 16.14 C +ATOM 61 C BSER C 32 6.099 53.697 21.030 0.31 17.16 C +ATOM 62 O ASER C 32 5.818 52.504 20.925 0.69 21.09 O +ATOM 63 O BSER C 32 5.724 52.541 20.845 0.31 19.75 O +ATOM 64 CB ASER C 32 6.294 55.239 19.108 0.69 16.56 C +ATOM 65 CB BSER C 32 6.397 55.307 19.138 0.31 15.95 C +ATOM 66 OG ASER C 32 7.076 55.634 17.990 0.69 12.50 O +ATOM 67 OG BSER C 32 5.317 54.667 18.477 0.31 15.52 O +ATOM 68 N ALA C 33 5.662 54.442 22.037 1.00 20.80 N +ATOM 69 CA ALA C 33 4.685 53.939 22.985 1.00 21.68 C +ATOM 70 C ALA C 33 3.453 54.843 22.978 1.00 29.26 C +ATOM 71 O ALA C 33 3.562 56.061 22.806 1.00 27.50 O +ATOM 72 CB ALA C 33 5.289 53.847 24.382 1.00 18.84 C +ATOM 73 N GLU C 34 2.287 54.229 23.146 1.00 33.53 N +ATOM 74 CA GLU C 34 1.024 54.943 23.245 1.00 32.27 C +ATOM 75 C GLU C 34 0.284 54.461 24.489 1.00 36.21 C +ATOM 76 O GLU C 34 0.149 53.257 24.704 1.00 38.32 O +ATOM 77 CB GLU C 34 0.189 54.700 21.988 1.00 34.54 C +ATOM 78 CG GLU C 34 0.852 55.190 20.689 1.00 33.02 C +ATOM 79 CD GLU C 34 0.006 54.910 19.444 1.00 32.44 C +ATOM 80 OE1 GLU C 34 -1.154 54.468 19.590 1.00 32.65 O +ATOM 81 OE2 GLU C 34 0.499 55.136 18.319 1.00 33.99 O +ATOM 82 N PRO C 35 -0.201 55.399 25.323 1.00 39.77 N +ATOM 83 CA PRO C 35 -0.183 56.854 25.116 1.00 39.64 C +ATOM 84 C PRO C 35 1.186 57.484 25.392 1.00 41.76 C +ATOM 85 O PRO C 35 1.510 58.538 24.838 1.00 43.51 O +ATOM 86 CB PRO C 35 -1.204 57.354 26.134 1.00 34.36 C +ATOM 87 CG PRO C 35 -1.153 56.357 27.238 1.00 35.97 C +ATOM 88 CD PRO C 35 -0.743 55.036 26.646 1.00 41.01 C +ATOM 89 N GLY C 36 1.983 56.843 26.240 1.00 35.90 N +ATOM 90 CA GLY C 36 3.327 57.316 26.493 1.00 31.13 C +ATOM 91 C GLY C 36 4.207 56.307 27.196 1.00 29.26 C +ATOM 92 O GLY C 36 3.809 55.172 27.443 1.00 28.48 O +ATOM 93 N THR C 37 5.418 56.736 27.522 1.00 33.21 N +ATOM 94 CA THR C 37 6.393 55.865 28.147 1.00 33.79 C +ATOM 95 C THR C 37 6.210 55.827 29.655 1.00 36.22 C +ATOM 96 O THR C 37 6.856 55.041 30.347 1.00 29.81 O +ATOM 97 CB THR C 37 7.821 56.296 27.794 1.00 29.93 C +ATOM 98 OG1 THR C 37 7.955 57.705 27.993 1.00 30.29 O +ATOM 99 CG2 THR C 37 8.124 55.970 26.341 1.00 29.86 C +ATOM 100 N VAL C 38 5.313 56.673 30.157 1.00 46.12 N +ATOM 101 CA VAL C 38 5.007 56.713 31.585 1.00 47.35 C +ATOM 102 C VAL C 38 3.591 56.199 31.853 1.00 45.80 C +ATOM 103 O VAL C 38 2.604 56.848 31.510 1.00 39.50 O +ATOM 104 CB VAL C 38 5.172 58.128 32.166 1.00 44.14 C +ATOM 105 CG1 VAL C 38 5.175 58.060 33.684 1.00 44.43 C +ATOM 106 CG2 VAL C 38 6.453 58.772 31.644 1.00 38.62 C +ATOM 107 N ILE C 39 3.505 55.026 32.470 1.00 49.22 N +ATOM 108 CA ILE C 39 2.235 54.329 32.614 1.00 53.06 C +ATOM 109 C ILE C 39 1.984 53.901 34.060 1.00 54.31 C +ATOM 110 O ILE C 39 2.851 53.304 34.703 1.00 51.62 O +ATOM 111 CB ILE C 39 2.178 53.093 31.674 1.00 30.43 C +ATOM 112 CG1 ILE C 39 2.532 53.492 30.236 1.00 31.82 C +ATOM 113 CG2 ILE C 39 0.817 52.419 31.725 1.00 26.75 C +ATOM 114 CD1 ILE C 39 1.462 54.271 29.525 1.00 28.45 C +ATOM 115 N PRO C 40 0.780 54.208 34.571 1.00 56.95 N +ATOM 116 CA PRO C 40 0.320 53.886 35.928 1.00 57.25 C +ATOM 117 C PRO C 40 0.085 52.388 36.126 1.00 55.81 C +ATOM 118 O PRO C 40 -0.681 51.782 35.372 1.00 54.44 O +ATOM 119 CB PRO C 40 -1.015 54.633 36.029 1.00 58.12 C +ATOM 120 CG PRO C 40 -1.045 55.578 34.861 1.00 58.51 C +ATOM 121 CD PRO C 40 -0.251 54.919 33.800 1.00 56.20 C +ATOM 122 N LEU C 41 0.735 51.811 37.135 1.00 54.59 N +ATOM 123 CA LEU C 41 0.625 50.382 37.442 1.00 54.88 C +ATOM 124 C LEU C 41 -0.794 49.860 37.242 1.00 51.04 C +ATOM 125 O LEU C 41 -1.714 50.274 37.942 1.00 55.46 O +ATOM 126 CB LEU C 41 1.092 50.119 38.882 1.00 59.82 C +ATOM 127 CG LEU C 41 1.148 48.710 39.504 1.00 63.24 C +ATOM 128 CD1 LEU C 41 -0.245 48.113 39.724 1.00 66.67 C +ATOM 129 CD2 LEU C 41 2.038 47.748 38.709 1.00 61.81 C +ATOM 130 N GLY C 42 -0.968 48.955 36.283 1.00 45.14 N +ATOM 131 CA GLY C 42 -2.266 48.353 36.027 1.00 41.77 C +ATOM 132 C GLY C 42 -2.984 48.875 34.793 1.00 39.11 C +ATOM 133 O GLY C 42 -4.046 48.379 34.422 1.00 35.34 O +ATOM 134 N SER C 43 -2.407 49.881 34.150 1.00 41.80 N +ATOM 135 CA SER C 43 -2.987 50.422 32.928 1.00 45.01 C +ATOM 136 C SER C 43 -2.398 49.741 31.698 1.00 36.66 C +ATOM 137 O SER C 43 -1.588 48.820 31.806 1.00 32.29 O +ATOM 138 CB SER C 43 -2.768 51.934 32.845 1.00 50.36 C +ATOM 139 OG SER C 43 -3.374 52.587 33.942 1.00 55.56 O +ATOM 140 N HIS C 44 -2.802 50.216 30.529 1.00 37.24 N +ATOM 141 CA HIS C 44 -2.394 49.604 29.274 1.00 40.16 C +ATOM 142 C HIS C 44 -1.403 50.475 28.507 1.00 37.05 C +ATOM 143 O HIS C 44 -1.526 51.709 28.472 1.00 34.90 O +ATOM 144 CB HIS C 44 -3.618 49.381 28.392 1.00 48.33 C +ATOM 145 CG HIS C 44 -4.088 50.629 27.716 1.00 54.18 C +ATOM 146 ND1 HIS C 44 -4.783 51.615 28.375 1.00 58.97 N +ATOM 147 CD2 HIS C 44 -3.928 51.068 26.441 1.00 55.76 C +ATOM 148 CE1 HIS C 44 -5.049 52.604 27.536 1.00 60.56 C +ATOM 149 NE2 HIS C 44 -4.540 52.292 26.357 1.00 57.89 N +ATOM 150 N VAL C 45 -0.426 49.828 27.881 1.00 33.34 N +ATOM 151 CA VAL C 45 0.460 50.515 26.946 1.00 30.93 C +ATOM 152 C VAL C 45 0.473 49.775 25.599 1.00 26.44 C +ATOM 153 O VAL C 45 0.307 48.555 25.564 1.00 26.28 O +ATOM 154 CB VAL C 45 1.887 50.671 27.517 1.00 28.58 C +ATOM 155 CG1 VAL C 45 2.524 49.296 27.792 1.00 30.10 C +ATOM 156 CG2 VAL C 45 2.741 51.510 26.579 1.00 25.64 C +ATOM 157 N THR C 46 0.632 50.516 24.503 1.00 25.44 N +ATOM 158 CA THR C 46 0.752 49.929 23.161 1.00 24.03 C +ATOM 159 C THR C 46 2.089 50.307 22.529 1.00 23.73 C +ATOM 160 O THR C 46 2.365 51.483 22.308 1.00 27.19 O +ATOM 161 CB THR C 46 -0.392 50.400 22.206 1.00 31.94 C +ATOM 162 OG1 THR C 46 -1.660 49.948 22.700 1.00 32.64 O +ATOM 163 CG2 THR C 46 -0.179 49.842 20.797 1.00 29.08 C +ATOM 164 N PHE C 47 2.927 49.319 22.241 1.00 18.40 N +ATOM 165 CA PHE C 47 4.176 49.607 21.549 1.00 17.98 C +ATOM 166 C PHE C 47 3.936 49.572 20.046 1.00 16.46 C +ATOM 167 O PHE C 47 3.318 48.654 19.549 1.00 16.28 O +ATOM 168 CB PHE C 47 5.273 48.618 21.949 1.00 16.44 C +ATOM 169 CG PHE C 47 5.662 48.705 23.393 1.00 18.07 C +ATOM 170 CD1 PHE C 47 6.601 49.632 23.819 1.00 19.45 C +ATOM 171 CD2 PHE C 47 5.080 47.861 24.335 1.00 23.36 C +ATOM 172 CE1 PHE C 47 6.958 49.713 25.164 1.00 23.08 C +ATOM 173 CE2 PHE C 47 5.431 47.931 25.678 1.00 21.21 C +ATOM 174 CZ PHE C 47 6.367 48.858 26.097 1.00 20.84 C +ATOM 175 N VAL C 48 4.417 50.580 19.331 1.00 14.72 N +ATOM 176 CA VAL C 48 4.306 50.609 17.876 1.00 15.94 C +ATOM 177 C VAL C 48 5.694 50.505 17.239 1.00 15.39 C +ATOM 178 O VAL C 48 6.548 51.368 17.450 1.00 16.42 O +ATOM 179 CB VAL C 48 3.582 51.882 17.404 1.00 15.41 C +ATOM 180 CG1 VAL C 48 3.312 51.841 15.899 1.00 13.14 C +ATOM 181 CG2 VAL C 48 2.286 52.054 18.190 1.00 15.73 C +ATOM 182 N ACYS C 49 5.896 49.446 16.463 0.47 14.98 N +ATOM 183 N BCYS C 49 5.941 49.426 16.497 0.53 14.96 N +ATOM 184 CA ACYS C 49 7.133 49.232 15.718 0.47 14.78 C +ATOM 185 CA BCYS C 49 7.192 49.305 15.736 0.53 14.75 C +ATOM 186 C ACYS C 49 6.945 49.651 14.258 0.47 17.18 C +ATOM 187 C BCYS C 49 6.963 49.656 14.274 0.53 17.31 C +ATOM 188 O ACYS C 49 6.039 49.166 13.581 0.47 17.40 O +ATOM 189 O BCYS C 49 6.058 49.132 13.618 0.53 17.53 O +ATOM 190 CB ACYS C 49 7.551 47.755 15.785 0.47 14.67 C +ATOM 191 CB BCYS C 49 7.824 47.910 15.837 0.53 14.86 C +ATOM 192 SG ACYS C 49 7.930 47.112 17.453 0.47 13.11 S +ATOM 193 SG BCYS C 49 9.501 47.778 15.095 0.53 14.30 S +ATOM 194 N ARG C 50 7.798 50.548 13.769 1.00 16.19 N +ATOM 195 CA ARG C 50 7.673 51.010 12.405 1.00 14.40 C +ATOM 196 C ARG C 50 8.918 50.709 11.585 1.00 19.81 C +ATOM 197 O ARG C 50 10.054 50.804 12.069 1.00 21.55 O +ATOM 198 CB ARG C 50 7.352 52.501 12.381 1.00 15.54 C +ATOM 199 CG ARG C 50 6.071 52.861 13.087 1.00 15.82 C +ATOM 200 CD ARG C 50 5.818 54.350 12.988 1.00 16.82 C +ATOM 201 NE ARG C 50 4.445 54.687 13.338 1.00 18.62 N +ATOM 202 CZ ARG C 50 4.058 55.054 14.553 1.00 20.24 C +ATOM 203 NH1 ARG C 50 4.943 55.133 15.543 1.00 21.68 N +ATOM 204 NH2 ARG C 50 2.787 55.343 14.780 1.00 26.56 N +ATOM 205 N GLY C 51 8.688 50.344 10.328 1.00 18.71 N +ATOM 206 CA GLY C 51 9.764 50.051 9.411 1.00 16.18 C +ATOM 207 C GLY C 51 9.363 50.339 7.978 1.00 15.06 C +ATOM 208 O GLY C 51 8.400 51.058 7.715 1.00 12.12 O +ATOM 209 N PRO C 52 10.103 49.777 7.033 1.00 18.36 N +ATOM 210 CA PRO C 52 9.774 50.036 5.630 1.00 19.14 C +ATOM 211 C PRO C 52 8.561 49.224 5.197 1.00 19.04 C +ATOM 212 O PRO C 52 8.112 48.336 5.916 1.00 16.54 O +ATOM 213 CB PRO C 52 11.020 49.548 4.872 1.00 18.86 C +ATOM 214 CG PRO C 52 11.886 48.855 5.882 1.00 20.54 C +ATOM 215 CD PRO C 52 11.162 48.774 7.187 1.00 18.94 C +ATOM 216 N VAL C 53 8.036 49.518 4.014 1.00 20.52 N +ATOM 217 CA VAL C 53 7.042 48.645 3.406 1.00 17.07 C +ATOM 218 C VAL C 53 7.684 47.256 3.219 1.00 17.03 C +ATOM 219 O VAL C 53 8.899 47.158 3.023 1.00 18.45 O +ATOM 220 CB VAL C 53 6.490 49.278 2.084 1.00 17.98 C +ATOM 221 CG1 VAL C 53 7.524 49.282 1.001 1.00 21.04 C +ATOM 222 CG2 VAL C 53 5.271 48.527 1.614 1.00 19.62 C +ATOM 223 N GLY C 54 6.901 46.188 3.353 1.00 19.06 N +ATOM 224 CA GLY C 54 7.397 44.852 3.035 1.00 18.82 C +ATOM 225 C GLY C 54 7.955 44.001 4.175 1.00 14.38 C +ATOM 226 O GLY C 54 8.525 42.933 3.957 1.00 16.58 O +ATOM 227 N VAL C 55 7.798 44.477 5.403 1.00 18.77 N +ATOM 228 CA VAL C 55 8.231 43.725 6.574 1.00 16.08 C +ATOM 229 C VAL C 55 7.367 42.470 6.721 1.00 12.96 C +ATOM 230 O VAL C 55 6.150 42.535 6.580 1.00 17.78 O +ATOM 231 CB VAL C 55 8.115 44.601 7.857 1.00 9.49 C +ATOM 232 CG1 VAL C 55 8.363 43.762 9.128 1.00 9.60 C +ATOM 233 CG2 VAL C 55 9.034 45.802 7.763 1.00 6.41 C +ATOM 234 N GLN C 56 7.992 41.330 6.995 1.00 15.58 N +ATOM 235 CA GLN C 56 7.248 40.110 7.268 1.00 19.36 C +ATOM 236 C GLN C 56 6.867 40.000 8.746 1.00 17.41 C +ATOM 237 O GLN C 56 5.708 39.748 9.090 1.00 15.48 O +ATOM 238 CB GLN C 56 8.061 38.877 6.885 1.00 21.37 C +ATOM 239 CG GLN C 56 7.391 37.587 7.355 1.00 31.30 C +ATOM 240 CD GLN C 56 8.311 36.376 7.341 1.00 39.37 C +ATOM 241 OE1 GLN C 56 9.363 36.381 6.697 1.00 40.09 O +ATOM 242 NE2 GLN C 56 7.907 35.322 8.049 1.00 42.37 N +ATOM 243 N THR C 57 7.862 40.173 9.609 1.00 20.37 N +ATOM 244 CA THR C 57 7.700 39.995 11.047 1.00 16.22 C +ATOM 245 C THR C 57 8.280 41.197 11.775 1.00 16.12 C +ATOM 246 O THR C 57 9.398 41.622 11.471 1.00 14.36 O +ATOM 247 CB THR C 57 8.447 38.733 11.547 1.00 14.44 C +ATOM 248 OG1 THR C 57 8.000 37.594 10.811 1.00 20.12 O +ATOM 249 CG2 THR C 57 8.200 38.499 13.035 1.00 17.24 C +ATOM 250 N PHE C 58 7.509 41.742 12.717 1.00 8.91 N +ATOM 251 CA PHE C 58 8.011 42.705 13.687 1.00 10.09 C +ATOM 252 C PHE C 58 8.192 42.005 15.033 1.00 10.58 C +ATOM 253 O PHE C 58 7.313 41.269 15.479 1.00 11.37 O +ATOM 254 CB PHE C 58 7.051 43.884 13.875 1.00 11.83 C +ATOM 255 CG PHE C 58 7.183 44.964 12.827 1.00 10.98 C +ATOM 256 CD1 PHE C 58 8.235 45.868 12.865 1.00 10.51 C +ATOM 257 CD2 PHE C 58 6.241 45.084 11.822 1.00 13.01 C +ATOM 258 CE1 PHE C 58 8.348 46.862 11.897 1.00 12.76 C +ATOM 259 CE2 PHE C 58 6.341 46.079 10.848 1.00 12.26 C +ATOM 260 CZ PHE C 58 7.396 46.971 10.890 1.00 14.54 C +ATOM 261 N ARG C 59 9.330 42.247 15.670 1.00 11.45 N +ATOM 262 CA ARG C 59 9.629 41.667 16.965 1.00 12.07 C +ATOM 263 C ARG C 59 9.832 42.775 18.017 1.00 10.68 C +ATOM 264 O ARG C 59 10.661 43.681 17.834 1.00 11.56 O +ATOM 265 CB ARG C 59 10.860 40.763 16.882 1.00 10.23 C +ATOM 266 CG ARG C 59 11.361 40.294 18.262 1.00 12.70 C +ATOM 267 CD ARG C 59 12.456 39.236 18.146 1.00 13.57 C +ATOM 268 NE ARG C 59 11.991 38.044 17.451 1.00 14.81 N +ATOM 269 CZ ARG C 59 12.779 37.057 17.040 1.00 16.20 C +ATOM 270 NH1 ARG C 59 14.084 37.123 17.233 1.00 18.81 N +ATOM 271 NH2 ARG C 59 12.262 36.011 16.416 1.00 18.19 N +ATOM 272 N LEU C 60 9.047 42.730 19.088 1.00 11.40 N +ATOM 273 CA LEU C 60 9.253 43.633 20.205 1.00 13.23 C +ATOM 274 C LEU C 60 10.162 42.918 21.171 1.00 17.86 C +ATOM 275 O LEU C 60 9.925 41.757 21.529 1.00 18.30 O +ATOM 276 CB LEU C 60 7.944 43.987 20.902 1.00 16.26 C +ATOM 277 CG LEU C 60 8.000 44.806 22.210 1.00 13.11 C +ATOM 278 CD1 LEU C 60 8.284 46.299 21.969 1.00 7.28 C +ATOM 279 CD2 LEU C 60 6.700 44.629 23.033 1.00 17.29 C +ATOM 280 N GLU C 61 11.210 43.607 21.601 1.00 14.06 N +ATOM 281 CA GLU C 61 12.176 42.993 22.493 1.00 14.76 C +ATOM 282 C GLU C 61 12.066 43.606 23.888 1.00 15.76 C +ATOM 283 O GLU C 61 12.264 44.810 24.076 1.00 12.29 O +ATOM 284 CB GLU C 61 13.590 43.120 21.919 1.00 13.93 C +ATOM 285 CG GLU C 61 13.748 42.466 20.551 1.00 14.27 C +ATOM 286 CD GLU C 61 14.910 43.036 19.774 1.00 17.51 C +ATOM 287 OE1 GLU C 61 14.957 44.266 19.587 1.00 17.37 O +ATOM 288 OE2 GLU C 61 15.769 42.254 19.325 1.00 19.42 O +ATOM 289 N ARG C 62 11.697 42.756 24.840 1.00 14.82 N +ATOM 290 CA ARG C 62 11.666 43.086 26.268 1.00 16.48 C +ATOM 291 C ARG C 62 13.052 42.835 26.854 1.00 21.69 C +ATOM 292 O ARG C 62 13.381 41.719 27.264 1.00 23.39 O +ATOM 293 CB ARG C 62 10.627 42.220 26.986 1.00 15.72 C +ATOM 294 CG ARG C 62 9.329 42.089 26.215 1.00 16.30 C +ATOM 295 CD ARG C 62 8.195 41.724 27.145 1.00 23.10 C +ATOM 296 NE ARG C 62 6.911 41.717 26.459 1.00 27.47 N +ATOM 297 CZ ARG C 62 5.743 41.621 27.081 1.00 26.81 C +ATOM 298 NH1 ARG C 62 4.612 41.627 26.381 1.00 31.35 N +ATOM 299 NH2 ARG C 62 5.709 41.527 28.401 1.00 20.93 N +ATOM 300 N GLU C 63 13.860 43.886 26.901 1.00 19.72 N +ATOM 301 CA GLU C 63 15.302 43.734 27.086 1.00 25.39 C +ATOM 302 C GLU C 63 15.769 43.410 28.511 1.00 32.59 C +ATOM 303 O GLU C 63 16.848 42.848 28.692 1.00 36.75 O +ATOM 304 CB GLU C 63 16.034 44.963 26.544 1.00 29.37 C +ATOM 305 CG GLU C 63 15.814 45.219 25.054 1.00 35.88 C +ATOM 306 CD GLU C 63 16.539 44.222 24.170 1.00 43.19 C +ATOM 307 OE1 GLU C 63 16.970 44.615 23.067 1.00 45.78 O +ATOM 308 OE2 GLU C 63 16.679 43.047 24.572 1.00 45.95 O +ATOM 309 N SER C 64 14.977 43.752 29.523 1.00 32.89 N +ATOM 310 CA SER C 64 15.427 43.498 30.885 1.00 35.27 C +ATOM 311 C SER C 64 15.479 41.995 31.130 1.00 42.52 C +ATOM 312 O SER C 64 16.461 41.476 31.658 1.00 44.65 O +ATOM 313 CB SER C 64 14.549 44.210 31.920 1.00 34.09 C +ATOM 314 OG SER C 64 13.197 43.803 31.822 1.00 38.14 O +ATOM 315 N ARG C 65 14.429 41.294 30.713 1.00 47.18 N +ATOM 316 CA ARG C 65 14.334 39.857 30.948 1.00 50.99 C +ATOM 317 C ARG C 65 14.519 39.038 29.674 1.00 39.96 C +ATOM 318 O ARG C 65 14.250 37.836 29.650 1.00 36.88 O +ATOM 319 CB ARG C 65 13.011 39.509 31.645 1.00 61.70 C +ATOM 320 CG ARG C 65 12.920 40.077 33.055 1.00 66.54 C +ATOM 321 CD ARG C 65 11.661 39.654 33.777 1.00 71.56 C +ATOM 322 NE ARG C 65 11.711 40.076 35.171 1.00 78.30 N +ATOM 323 CZ ARG C 65 11.520 41.327 35.584 1.00 86.18 C +ATOM 324 NH1 ARG C 65 11.264 42.295 34.711 1.00 86.85 N +ATOM 325 NH2 ARG C 65 11.586 41.613 36.878 1.00 91.61 N +ATOM 326 N SER C 66 14.999 39.697 28.626 1.00 34.45 N +ATOM 327 CA SER C 66 15.256 39.056 27.333 1.00 38.14 C +ATOM 328 C SER C 66 14.179 38.066 26.865 1.00 32.58 C +ATOM 329 O SER C 66 14.463 36.894 26.624 1.00 30.70 O +ATOM 330 CB SER C 66 16.638 38.390 27.317 1.00 44.72 C +ATOM 331 OG SER C 66 17.640 39.303 26.895 1.00 48.62 O +ATOM 332 N THR C 67 12.943 38.542 26.748 1.00 21.22 N +ATOM 333 CA THR C 67 11.885 37.771 26.109 1.00 16.67 C +ATOM 334 C THR C 67 11.391 38.640 24.960 1.00 15.17 C +ATOM 335 O THR C 67 11.885 39.756 24.778 1.00 14.71 O +ATOM 336 CB THR C 67 10.741 37.441 27.082 1.00 14.78 C +ATOM 337 OG1 THR C 67 10.226 38.652 27.661 1.00 16.27 O +ATOM 338 CG2 THR C 67 11.227 36.488 28.185 1.00 17.48 C +ATOM 339 N TYR C 68 10.450 38.148 24.169 1.00 11.65 N +ATOM 340 CA TYR C 68 9.988 38.945 23.034 1.00 12.19 C +ATOM 341 C TYR C 68 8.597 38.568 22.591 1.00 13.49 C +ATOM 342 O TYR C 68 8.004 37.609 23.099 1.00 12.18 O +ATOM 343 CB TYR C 68 10.958 38.842 21.839 1.00 11.98 C +ATOM 344 CG TYR C 68 11.080 37.457 21.240 1.00 14.55 C +ATOM 345 CD1 TYR C 68 10.387 37.107 20.081 1.00 16.51 C +ATOM 346 CD2 TYR C 68 11.895 36.497 21.835 1.00 12.43 C +ATOM 347 CE1 TYR C 68 10.504 35.829 19.530 1.00 15.83 C +ATOM 348 CE2 TYR C 68 12.017 35.229 21.299 1.00 15.78 C +ATOM 349 CZ TYR C 68 11.327 34.902 20.148 1.00 17.04 C +ATOM 350 OH TYR C 68 11.477 33.636 19.637 1.00 17.57 O +ATOM 351 N ASN C 69 8.090 39.356 21.648 1.00 11.14 N +ATOM 352 CA ASN C 69 6.820 39.108 20.977 1.00 16.68 C +ATOM 353 C ASN C 69 7.005 39.257 19.465 1.00 16.47 C +ATOM 354 O ASN C 69 7.533 40.267 18.995 1.00 15.56 O +ATOM 355 CB ASN C 69 5.732 40.074 21.493 1.00 16.83 C +ATOM 356 CG ASN C 69 5.369 39.839 22.972 1.00 19.01 C +ATOM 357 OD1 ASN C 69 5.856 40.540 23.850 1.00 19.84 O +ATOM 358 ND2 ASN C 69 4.500 38.862 23.235 1.00 15.98 N +ATOM 359 N ASP C 70 6.603 38.243 18.706 1.00 13.38 N +ATOM 360 CA ASP C 70 6.620 38.331 17.245 1.00 12.33 C +ATOM 361 C ASP C 70 5.203 38.514 16.726 1.00 12.42 C +ATOM 362 O ASP C 70 4.251 37.959 17.282 1.00 14.21 O +ATOM 363 CB ASP C 70 7.187 37.055 16.605 1.00 16.24 C +ATOM 364 CG ASP C 70 8.702 36.988 16.643 1.00 17.98 C +ATOM 365 OD1 ASP C 70 9.346 37.978 17.029 1.00 17.63 O +ATOM 366 OD2 ASP C 70 9.251 35.938 16.275 1.00 16.81 O +ATOM 367 N THR C 71 5.064 39.272 15.645 1.00 9.82 N +ATOM 368 CA THR C 71 3.785 39.345 14.940 1.00 10.82 C +ATOM 369 C THR C 71 3.988 39.517 13.437 1.00 13.27 C +ATOM 370 O THR C 71 4.859 40.271 13.005 1.00 16.21 O +ATOM 371 CB THR C 71 2.864 40.451 15.521 1.00 16.80 C +ATOM 372 OG1 THR C 71 1.550 40.338 14.955 1.00 20.07 O +ATOM 373 CG2 THR C 71 3.431 41.837 15.243 1.00 14.19 C +ATOM 374 N GLU C 72 3.212 38.775 12.653 1.00 12.97 N +ATOM 375 CA GLU C 72 3.189 38.931 11.200 1.00 17.42 C +ATOM 376 C GLU C 72 2.005 39.810 10.778 1.00 13.59 C +ATOM 377 O GLU C 72 1.756 40.004 9.588 1.00 14.13 O +ATOM 378 CB GLU C 72 3.131 37.566 10.480 1.00 19.36 C +ATOM 379 CG GLU C 72 4.433 36.780 10.515 1.00 23.60 C +ATOM 380 CD GLU C 72 4.795 36.385 11.918 1.00 32.39 C +ATOM 381 OE1 GLU C 72 3.876 35.925 12.640 1.00 30.89 O +ATOM 382 OE2 GLU C 72 5.983 36.539 12.311 1.00 35.58 O +ATOM 383 N ASP C 73 1.271 40.321 11.763 1.00 13.42 N +ATOM 384 CA ASP C 73 0.149 41.201 11.483 1.00 17.93 C +ATOM 385 C ASP C 73 0.655 42.607 11.168 1.00 18.94 C +ATOM 386 O ASP C 73 0.634 43.489 12.016 1.00 18.81 O +ATOM 387 CB ASP C 73 -0.832 41.246 12.650 1.00 18.28 C +ATOM 388 CG ASP C 73 -2.086 42.043 12.307 1.00 20.66 C +ATOM 389 OD1 ASP C 73 -2.428 42.097 11.098 1.00 18.30 O +ATOM 390 OD2 ASP C 73 -2.702 42.628 13.224 1.00 21.81 O +ATOM 391 N VAL C 74 1.114 42.791 9.938 1.00 16.09 N +ATOM 392 CA VAL C 74 1.721 44.036 9.494 1.00 16.30 C +ATOM 393 C VAL C 74 0.746 44.798 8.580 1.00 16.41 C +ATOM 394 O VAL C 74 0.047 44.196 7.761 1.00 14.99 O +ATOM 395 CB VAL C 74 3.055 43.748 8.746 1.00 18.06 C +ATOM 396 CG1 VAL C 74 3.679 45.022 8.200 1.00 16.28 C +ATOM 397 CG2 VAL C 74 4.037 42.986 9.650 1.00 13.53 C +ATOM 398 N SER C 75 0.681 46.117 8.743 1.00 18.08 N +ATOM 399 CA SER C 75 -0.072 46.972 7.813 1.00 18.24 C +ATOM 400 C SER C 75 0.644 48.307 7.565 1.00 17.42 C +ATOM 401 O SER C 75 1.589 48.660 8.272 1.00 16.96 O +ATOM 402 CB SER C 75 -1.513 47.194 8.287 1.00 16.47 C +ATOM 403 OG SER C 75 -1.540 47.743 9.585 1.00 16.23 O +ATOM 404 N GLN C 76 0.194 49.036 6.552 1.00 17.52 N +ATOM 405 CA GLN C 76 0.824 50.293 6.173 1.00 13.78 C +ATOM 406 C GLN C 76 0.008 51.488 6.597 1.00 14.94 C +ATOM 407 O GLN C 76 -1.217 51.486 6.497 1.00 17.34 O +ATOM 408 CB GLN C 76 0.988 50.351 4.655 1.00 16.32 C +ATOM 409 CG GLN C 76 1.737 49.188 4.065 1.00 16.80 C +ATOM 410 CD GLN C 76 2.118 49.432 2.623 1.00 23.00 C +ATOM 411 OE1 GLN C 76 1.742 48.673 1.734 1.00 27.31 O +ATOM 412 NE2 GLN C 76 2.862 50.502 2.384 1.00 28.00 N +ATOM 413 N ALA C 77 0.702 52.523 7.054 1.00 21.66 N +ATOM 414 CA ALA C 77 0.080 53.824 7.310 1.00 26.91 C +ATOM 415 C ALA C 77 0.344 54.756 6.137 1.00 25.02 C +ATOM 416 O ALA C 77 -0.286 55.804 6.019 1.00 25.83 O +ATOM 417 CB ALA C 77 0.623 54.436 8.599 1.00 27.32 C +ATOM 418 N SER C 78 1.297 54.368 5.288 1.00 25.51 N +ATOM 419 CA SER C 78 1.662 55.129 4.092 1.00 31.36 C +ATOM 420 C SER C 78 2.440 54.217 3.133 1.00 33.79 C +ATOM 421 O SER C 78 2.785 53.090 3.509 1.00 29.99 O +ATOM 422 CB SER C 78 2.478 56.385 4.456 1.00 28.27 C +ATOM 423 OG SER C 78 3.802 56.054 4.817 1.00 28.70 O +ATOM 424 N PRO C 79 2.713 54.694 1.897 1.00 34.53 N +ATOM 425 CA PRO C 79 3.318 53.849 0.853 1.00 36.45 C +ATOM 426 C PRO C 79 4.770 53.433 1.146 1.00 34.87 C +ATOM 427 O PRO C 79 5.257 52.439 0.582 1.00 34.31 O +ATOM 428 CB PRO C 79 3.253 54.740 -0.405 1.00 36.46 C +ATOM 429 CG PRO C 79 2.212 55.774 -0.102 1.00 35.56 C +ATOM 430 CD PRO C 79 2.368 56.029 1.373 1.00 34.94 C +ATOM 431 N SER C 80 5.441 54.180 2.021 1.00 28.40 N +ATOM 432 CA SER C 80 6.823 53.878 2.389 1.00 27.22 C +ATOM 433 C SER C 80 6.960 53.526 3.872 1.00 24.76 C +ATOM 434 O SER C 80 7.985 53.818 4.489 1.00 27.90 O +ATOM 435 CB SER C 80 7.719 55.076 2.075 1.00 27.49 C +ATOM 436 OG SER C 80 7.256 56.217 2.776 1.00 29.93 O +ATOM 437 N GLU C 81 5.927 52.915 4.443 1.00 20.73 N +ATOM 438 CA GLU C 81 5.967 52.519 5.847 1.00 15.57 C +ATOM 439 C GLU C 81 5.082 51.312 6.087 1.00 18.61 C +ATOM 440 O GLU C 81 4.013 51.198 5.497 1.00 19.24 O +ATOM 441 CB GLU C 81 5.521 53.673 6.750 1.00 17.59 C +ATOM 442 CG GLU C 81 5.678 53.413 8.260 1.00 18.66 C +ATOM 443 CD GLU C 81 4.388 52.972 8.953 1.00 19.36 C +ATOM 444 OE1 GLU C 81 3.508 52.380 8.296 1.00 23.21 O +ATOM 445 OE2 GLU C 81 4.252 53.215 10.169 1.00 19.80 O +ATOM 446 N SER C 82 5.540 50.403 6.940 1.00 16.48 N +ATOM 447 CA SER C 82 4.671 49.381 7.505 1.00 13.60 C +ATOM 448 C SER C 82 4.925 49.328 9.009 1.00 15.75 C +ATOM 449 O SER C 82 5.936 49.841 9.503 1.00 12.47 O +ATOM 450 CB SER C 82 4.858 48.014 6.829 1.00 15.62 C +ATOM 451 OG SER C 82 5.977 47.297 7.322 1.00 14.00 O +ATOM 452 N GLU C 83 3.984 48.745 9.741 1.00 22.55 N +ATOM 453 CA GLU C 83 4.034 48.768 11.200 1.00 21.62 C +ATOM 454 C GLU C 83 3.278 47.595 11.830 1.00 17.57 C +ATOM 455 O GLU C 83 2.459 46.928 11.179 1.00 16.12 O +ATOM 456 CB GLU C 83 3.462 50.088 11.729 1.00 20.60 C +ATOM 457 CG GLU C 83 1.992 50.296 11.365 1.00 20.60 C +ATOM 458 CD GLU C 83 1.445 51.618 11.859 1.00 20.85 C +ATOM 459 OE1 GLU C 83 2.022 52.662 11.507 1.00 23.20 O +ATOM 460 OE2 GLU C 83 0.431 51.611 12.583 1.00 22.13 O +ATOM 461 N ALA C 84 3.583 47.349 13.100 1.00 17.00 N +ATOM 462 CA ALA C 84 2.814 46.425 13.916 1.00 14.32 C +ATOM 463 C ALA C 84 2.726 47.018 15.328 1.00 15.80 C +ATOM 464 O ALA C 84 3.570 47.838 15.735 1.00 14.12 O +ATOM 465 CB ALA C 84 3.458 45.050 13.940 1.00 8.44 C +ATOM 466 N ARG C 85 1.698 46.601 16.059 1.00 15.94 N +ATOM 467 CA AARG C 85 1.465 47.103 17.408 0.45 19.61 C +ATOM 468 CA BARG C 85 1.450 47.084 17.404 0.55 19.87 C +ATOM 469 C ARG C 85 1.450 45.955 18.413 1.00 16.14 C +ATOM 470 O ARG C 85 1.048 44.831 18.094 1.00 16.99 O +ATOM 471 CB AARG C 85 0.152 47.886 17.465 0.45 20.53 C +ATOM 472 CB BARG C 85 0.127 47.853 17.454 0.55 20.50 C +ATOM 473 CG AARG C 85 0.137 49.099 16.546 0.45 21.80 C +ATOM 474 CG BARG C 85 0.198 49.128 16.664 0.55 21.80 C +ATOM 475 CD AARG C 85 -1.290 49.534 16.253 0.45 22.84 C +ATOM 476 CD BARG C 85 -1.162 49.708 16.365 0.55 22.88 C +ATOM 477 NE AARG C 85 -1.990 49.999 17.453 0.45 23.39 N +ATOM 478 NE BARG C 85 -1.005 50.828 15.445 0.55 21.84 N +ATOM 479 CZ AARG C 85 -1.948 51.252 17.907 0.45 21.39 C +ATOM 480 CZ BARG C 85 -0.773 52.073 15.829 0.55 19.76 C +ATOM 481 NH1AARG C 85 -2.616 51.581 19.004 0.45 20.15 N +ATOM 482 NH1BARG C 85 -0.625 53.023 14.924 0.55 20.18 N +ATOM 483 NH2AARG C 85 -1.234 52.180 17.274 0.45 20.47 N +ATOM 484 NH2BARG C 85 -0.700 52.365 17.123 0.55 21.04 N +ATOM 485 N PHE C 86 1.899 46.262 19.626 1.00 15.73 N +ATOM 486 CA PHE C 86 1.986 45.291 20.705 1.00 13.93 C +ATOM 487 C PHE C 86 1.359 45.909 21.946 1.00 21.50 C +ATOM 488 O PHE C 86 1.829 46.942 22.444 1.00 20.40 O +ATOM 489 CB PHE C 86 3.440 44.958 20.989 1.00 11.94 C +ATOM 490 CG PHE C 86 4.165 44.374 19.820 1.00 13.70 C +ATOM 491 CD1 PHE C 86 4.165 42.991 19.598 1.00 16.18 C +ATOM 492 CD2 PHE C 86 4.842 45.197 18.930 1.00 16.57 C +ATOM 493 CE1 PHE C 86 4.842 42.450 18.511 1.00 18.90 C +ATOM 494 CE2 PHE C 86 5.527 44.657 17.840 1.00 15.10 C +ATOM 495 CZ PHE C 86 5.529 43.289 17.634 1.00 15.75 C +ATOM 496 N ARG C 87 0.300 45.274 22.442 1.00 25.71 N +ATOM 497 CA ARG C 87 -0.477 45.827 23.548 1.00 23.64 C +ATOM 498 C ARG C 87 -0.208 45.109 24.861 1.00 20.39 C +ATOM 499 O ARG C 87 -0.142 43.884 24.919 1.00 25.76 O +ATOM 500 CB ARG C 87 -1.975 45.793 23.226 1.00 25.85 C +ATOM 501 CG ARG C 87 -2.815 46.677 24.139 1.00 30.88 C +ATOM 502 CD ARG C 87 -4.307 46.377 24.027 1.00 36.94 C +ATOM 503 NE ARG C 87 -5.048 46.984 25.133 1.00 42.13 N +ATOM 504 CZ ARG C 87 -5.630 48.179 25.082 1.00 44.95 C +ATOM 505 NH1 ARG C 87 -5.584 48.903 23.968 1.00 44.20 N +ATOM 506 NH2 ARG C 87 -6.269 48.648 26.146 1.00 48.04 N +ATOM 507 N ILE C 88 -0.019 45.889 25.909 1.00 23.15 N +ATOM 508 CA ILE C 88 0.055 45.351 27.255 1.00 24.33 C +ATOM 509 C ILE C 88 -1.213 45.805 27.986 1.00 24.84 C +ATOM 510 O ILE C 88 -1.371 46.983 28.304 1.00 24.31 O +ATOM 511 CB ILE C 88 1.350 45.799 27.997 1.00 30.77 C +ATOM 512 CG1 ILE C 88 2.593 45.476 27.160 1.00 27.85 C +ATOM 513 CG2 ILE C 88 1.464 45.121 29.347 1.00 30.00 C +ATOM 514 CD1 ILE C 88 3.861 45.350 27.972 1.00 23.68 C +ATOM 515 N ASP C 89 -2.132 44.866 28.208 1.00 28.74 N +ATOM 516 CA ASP C 89 -3.413 45.170 28.850 1.00 33.25 C +ATOM 517 C ASP C 89 -3.266 45.789 30.235 1.00 30.49 C +ATOM 518 O ASP C 89 -3.681 46.918 30.461 1.00 27.46 O +ATOM 519 CB ASP C 89 -4.284 43.918 28.936 1.00 42.00 C +ATOM 520 CG ASP C 89 -5.190 43.765 27.740 1.00 54.22 C +ATOM 521 OD1 ASP C 89 -5.295 44.728 26.950 1.00 59.71 O +ATOM 522 OD2 ASP C 89 -5.800 42.687 27.593 1.00 58.76 O +ATOM 523 N SER C 90 -2.686 45.035 31.163 1.00 30.95 N +ATOM 524 CA SER C 90 -2.432 45.542 32.509 1.00 34.28 C +ATOM 525 C SER C 90 -0.937 45.541 32.832 1.00 34.52 C +ATOM 526 O SER C 90 -0.321 44.483 32.976 1.00 36.37 O +ATOM 527 CB SER C 90 -3.207 44.725 33.558 1.00 35.37 C +ATOM 528 OG SER C 90 -2.826 45.073 34.887 1.00 31.70 O +ATOM 529 N VAL C 91 -0.352 46.730 32.946 1.00 33.17 N +ATOM 530 CA VAL C 91 1.072 46.835 33.237 1.00 32.40 C +ATOM 531 C VAL C 91 1.393 46.414 34.677 1.00 36.72 C +ATOM 532 O VAL C 91 0.744 46.859 35.626 1.00 37.17 O +ATOM 533 CB VAL C 91 1.620 48.258 32.954 1.00 34.16 C +ATOM 534 CG1 VAL C 91 1.620 48.549 31.444 1.00 34.84 C +ATOM 535 CG2 VAL C 91 0.820 49.297 33.711 1.00 35.15 C +ATOM 536 N SER C 92 2.381 45.531 34.820 1.00 37.90 N +ATOM 537 CA SER C 92 2.926 45.165 36.123 1.00 41.11 C +ATOM 538 C SER C 92 4.300 45.812 36.265 1.00 45.96 C +ATOM 539 O SER C 92 4.829 46.379 35.297 1.00 42.37 O +ATOM 540 CB SER C 92 3.040 43.646 36.264 1.00 42.71 C +ATOM 541 OG SER C 92 4.092 43.122 35.463 1.00 44.26 O +ATOM 542 N GLU C 93 4.874 45.734 37.466 1.00 48.73 N +ATOM 543 CA GLU C 93 6.183 46.331 37.724 1.00 46.56 C +ATOM 544 C GLU C 93 7.277 45.612 36.946 1.00 35.41 C +ATOM 545 O GLU C 93 8.301 46.202 36.614 1.00 32.43 O +ATOM 546 CB GLU C 93 6.507 46.331 39.221 1.00 55.61 C +ATOM 547 CG GLU C 93 7.681 47.241 39.605 1.00 64.76 C +ATOM 548 CD GLU C 93 7.496 48.681 39.132 1.00 68.39 C +ATOM 549 OE1 GLU C 93 6.341 49.078 38.865 1.00 70.07 O +ATOM 550 OE2 GLU C 93 8.504 49.416 39.026 1.00 66.64 O +ATOM 551 N GLY C 94 7.050 44.332 36.661 1.00 36.84 N +ATOM 552 CA GLY C 94 7.954 43.556 35.828 1.00 36.40 C +ATOM 553 C GLY C 94 7.956 44.040 34.388 1.00 30.33 C +ATOM 554 O GLY C 94 8.824 43.666 33.602 1.00 30.62 O +ATOM 555 N ASN C 95 6.976 44.873 34.043 1.00 28.60 N +ATOM 556 CA ASN C 95 6.894 45.462 32.706 1.00 27.80 C +ATOM 557 C ASN C 95 7.852 46.639 32.491 1.00 27.41 C +ATOM 558 O ASN C 95 8.360 46.838 31.391 1.00 25.58 O +ATOM 559 CB ASN C 95 5.461 45.878 32.382 1.00 24.74 C +ATOM 560 CG ASN C 95 4.600 44.706 31.950 1.00 26.05 C +ATOM 561 OD1 ASN C 95 3.386 44.715 32.140 1.00 26.93 O +ATOM 562 ND2 ASN C 95 5.227 43.690 31.365 1.00 21.92 N +ATOM 563 N ALA C 96 8.100 47.415 33.542 1.00 24.20 N +ATOM 564 CA ALA C 96 8.965 48.573 33.412 1.00 21.57 C +ATOM 565 C ALA C 96 10.353 48.124 32.965 1.00 24.04 C +ATOM 566 O ALA C 96 10.851 47.077 33.389 1.00 28.84 O +ATOM 567 CB ALA C 96 9.042 49.332 34.722 1.00 24.04 C +ATOM 568 N GLY C 97 10.977 48.922 32.106 1.00 24.10 N +ATOM 569 CA GLY C 97 12.321 48.638 31.638 1.00 20.79 C +ATOM 570 C GLY C 97 12.500 49.015 30.184 1.00 17.87 C +ATOM 571 O GLY C 97 11.608 49.621 29.594 1.00 16.85 O +ATOM 572 N PRO C 98 13.654 48.643 29.608 1.00 19.50 N +ATOM 573 CA PRO C 98 14.095 48.876 28.225 1.00 19.67 C +ATOM 574 C PRO C 98 13.366 47.999 27.203 1.00 17.49 C +ATOM 575 O PRO C 98 13.241 46.791 27.410 1.00 12.01 O +ATOM 576 CB PRO C 98 15.573 48.461 28.251 1.00 21.77 C +ATOM 577 CG PRO C 98 15.908 48.216 29.688 1.00 24.60 C +ATOM 578 CD PRO C 98 14.638 47.848 30.350 1.00 19.21 C +ATOM 579 N TYR C 99 12.913 48.616 26.115 1.00 14.38 N +ATOM 580 CA TYR C 99 12.262 47.920 25.028 1.00 9.80 C +ATOM 581 C TYR C 99 12.865 48.377 23.728 1.00 15.88 C +ATOM 582 O TYR C 99 13.204 49.554 23.590 1.00 17.66 O +ATOM 583 CB TYR C 99 10.778 48.271 24.973 1.00 15.41 C +ATOM 584 CG TYR C 99 9.948 47.654 26.058 1.00 14.79 C +ATOM 585 CD1 TYR C 99 9.942 48.194 27.329 1.00 18.39 C +ATOM 586 CD2 TYR C 99 9.140 46.535 25.804 1.00 18.48 C +ATOM 587 CE1 TYR C 99 9.172 47.641 28.330 1.00 17.12 C +ATOM 588 CE2 TYR C 99 8.358 45.973 26.809 1.00 17.73 C +ATOM 589 CZ TYR C 99 8.384 46.538 28.069 1.00 16.64 C +ATOM 590 OH TYR C 99 7.634 46.010 29.096 1.00 20.58 O +ATOM 591 N ARG C 100 12.982 47.452 22.778 1.00 14.93 N +ATOM 592 CA ARG C 100 13.373 47.771 21.400 1.00 18.15 C +ATOM 593 C ARG C 100 12.498 47.014 20.397 1.00 15.26 C +ATOM 594 O ARG C 100 11.722 46.133 20.778 1.00 15.07 O +ATOM 595 CB ARG C 100 14.842 47.395 21.136 1.00 17.01 C +ATOM 596 CG ARG C 100 15.856 48.313 21.755 1.00 18.80 C +ATOM 597 CD ARG C 100 17.258 48.002 21.244 1.00 22.31 C +ATOM 598 NE ARG C 100 17.706 46.644 21.553 1.00 20.12 N +ATOM 599 CZ ARG C 100 18.977 46.255 21.471 1.00 19.37 C +ATOM 600 NH1 ARG C 100 19.907 47.121 21.098 1.00 19.46 N +ATOM 601 NH2 ARG C 100 19.323 45.011 21.758 1.00 18.99 N +ATOM 602 N ACYS C 101 12.659 47.382 19.117 0.65 12.05 N +ATOM 603 N BCYS C 101 12.613 47.341 19.124 0.35 12.45 N +ATOM 604 CA ACYS C 101 12.006 46.764 17.952 0.65 12.22 C +ATOM 605 CA BCYS C 101 12.037 46.454 18.135 0.35 11.26 C +ATOM 606 C ACYS C 101 13.073 46.251 16.972 0.65 13.64 C +ATOM 607 C BCYS C 101 13.011 46.240 16.988 0.35 12.81 C +ATOM 608 O ACYS C 101 14.149 46.856 16.839 0.65 13.02 O +ATOM 609 O BCYS C 101 13.963 47.012 16.775 0.35 13.59 O +ATOM 610 CB ACYS C 101 11.132 47.792 17.194 0.65 5.27 C +ATOM 611 CB BCYS C 101 10.662 46.945 17.666 0.35 7.49 C +ATOM 612 SG ACYS C 101 9.576 48.190 17.950 0.65 25.32 S +ATOM 613 SG BCYS C 101 10.705 48.404 16.622 0.35 8.66 S +ATOM 614 N ILE C 102 12.767 45.158 16.271 1.00 11.37 N +ATOM 615 CA ILE C 102 13.598 44.724 15.167 1.00 12.14 C +ATOM 616 C ILE C 102 12.585 44.095 14.216 1.00 13.87 C +ATOM 617 O ILE C 102 11.532 43.632 14.647 1.00 16.69 O +ATOM 618 CB ILE C 102 14.722 43.747 15.660 1.00 18.03 C +ATOM 619 CG1 ILE C 102 15.635 43.304 14.511 1.00 19.00 C +ATOM 620 CG2 ILE C 102 14.133 42.558 16.432 1.00 18.16 C +ATOM 621 CD1 ILE C 102 16.947 42.688 14.987 1.00 21.90 C +ATOM 622 N TYR C 103 12.848 44.128 12.921 1.00 11.22 N +ATOM 623 CA TYR C 103 11.913 43.504 11.999 1.00 11.93 C +ATOM 624 C TYR C 103 12.641 42.547 11.077 1.00 18.13 C +ATOM 625 O TYR C 103 13.865 42.639 10.900 1.00 15.04 O +ATOM 626 CB TYR C 103 11.117 44.541 11.197 1.00 12.79 C +ATOM 627 CG TYR C 103 11.941 45.407 10.254 1.00 14.11 C +ATOM 628 CD1 TYR C 103 12.338 46.685 10.637 1.00 13.70 C +ATOM 629 CD2 TYR C 103 12.307 44.950 8.978 1.00 13.39 C +ATOM 630 CE1 TYR C 103 13.088 47.498 9.781 1.00 15.42 C +ATOM 631 CE2 TYR C 103 13.054 45.751 8.115 1.00 13.54 C +ATOM 632 CZ TYR C 103 13.442 47.029 8.527 1.00 14.64 C +ATOM 633 OH TYR C 103 14.177 47.858 7.696 1.00 15.85 O +ATOM 634 N TYR C 104 11.879 41.618 10.510 1.00 16.78 N +ATOM 635 CA TYR C 104 12.395 40.729 9.501 1.00 15.33 C +ATOM 636 C TYR C 104 11.769 41.078 8.160 1.00 18.18 C +ATOM 637 O TYR C 104 10.546 40.990 7.988 1.00 17.51 O +ATOM 638 CB TYR C 104 12.111 39.271 9.864 1.00 20.56 C +ATOM 639 CG TYR C 104 12.752 38.334 8.879 1.00 19.38 C +ATOM 640 CD1 TYR C 104 14.133 38.215 8.825 1.00 19.33 C +ATOM 641 CD2 TYR C 104 11.991 37.617 7.979 1.00 20.85 C +ATOM 642 CE1 TYR C 104 14.740 37.397 7.918 1.00 21.83 C +ATOM 643 CE2 TYR C 104 12.590 36.780 7.063 1.00 26.65 C +ATOM 644 CZ TYR C 104 13.972 36.679 7.037 1.00 28.69 C +ATOM 645 OH TYR C 104 14.610 35.859 6.132 1.00 37.80 O +ATOM 646 N LYS C 105 12.612 41.509 7.224 1.00 19.11 N +ATOM 647 CA LYS C 105 12.196 41.724 5.848 1.00 21.30 C +ATOM 648 C LYS C 105 13.136 40.905 4.966 1.00 30.39 C +ATOM 649 O LYS C 105 14.287 41.295 4.751 1.00 32.15 O +ATOM 650 CB LYS C 105 12.264 43.209 5.494 1.00 13.64 C +ATOM 651 CG LYS C 105 11.935 43.508 4.047 1.00 15.62 C +ATOM 652 CD LYS C 105 11.804 44.999 3.793 1.00 20.02 C +ATOM 653 CE LYS C 105 11.364 45.272 2.363 1.00 21.63 C +ATOM 654 NZ LYS C 105 11.558 46.708 1.974 1.00 21.86 N +ATOM 655 N PRO C 106 12.655 39.755 4.467 1.00 31.86 N +ATOM 656 CA PRO C 106 13.487 38.837 3.675 1.00 38.93 C +ATOM 657 C PRO C 106 14.495 39.569 2.777 1.00 38.20 C +ATOM 658 O PRO C 106 14.123 40.503 2.062 1.00 35.51 O +ATOM 659 CB PRO C 106 12.453 38.076 2.847 1.00 41.12 C +ATOM 660 CG PRO C 106 11.268 38.006 3.756 1.00 38.21 C +ATOM 661 CD PRO C 106 11.253 39.308 4.533 1.00 33.84 C +ATOM 662 N PRO C 107 15.768 39.143 2.803 1.00 39.11 N +ATOM 663 CA PRO C 107 16.285 37.945 3.473 1.00 42.37 C +ATOM 664 C PRO C 107 16.765 38.157 4.918 1.00 47.47 C +ATOM 665 O PRO C 107 17.202 37.185 5.543 1.00 50.84 O +ATOM 666 CB PRO C 107 17.512 37.580 2.617 1.00 38.57 C +ATOM 667 CG PRO C 107 17.711 38.738 1.638 1.00 36.66 C +ATOM 668 CD PRO C 107 16.843 39.856 2.101 1.00 38.61 C +ATOM 669 N LYS C 108 16.707 39.379 5.444 1.00 43.94 N +ATOM 670 CA LYS C 108 17.435 39.660 6.685 1.00 42.25 C +ATOM 671 C LYS C 108 16.631 40.242 7.841 1.00 27.76 C +ATOM 672 O LYS C 108 15.511 40.721 7.669 1.00 23.02 O +ATOM 673 CB LYS C 108 18.659 40.546 6.399 1.00 51.17 C +ATOM 674 CG LYS C 108 19.742 39.835 5.596 1.00 59.88 C +ATOM 675 CD LYS C 108 20.920 40.738 5.275 1.00 65.88 C +ATOM 676 CE LYS C 108 21.974 39.974 4.480 1.00 69.72 C +ATOM 677 NZ LYS C 108 22.329 38.683 5.146 1.00 68.56 N +ATOM 678 N TRP C 109 17.227 40.168 9.029 1.00 25.36 N +ATOM 679 CA TRP C 109 16.743 40.923 10.184 1.00 23.42 C +ATOM 680 C TRP C 109 17.337 42.326 10.111 1.00 22.11 C +ATOM 681 O TRP C 109 18.505 42.507 9.724 1.00 19.15 O +ATOM 682 CB TRP C 109 17.118 40.242 11.510 1.00 22.05 C +ATOM 683 CG TRP C 109 16.258 39.047 11.845 1.00 22.37 C +ATOM 684 CD1 TRP C 109 16.545 37.739 11.588 1.00 19.29 C +ATOM 685 CD2 TRP C 109 14.975 39.057 12.496 1.00 18.28 C +ATOM 686 NE1 TRP C 109 15.524 36.936 12.031 1.00 22.44 N +ATOM 687 CE2 TRP C 109 14.549 37.717 12.595 1.00 21.10 C +ATOM 688 CE3 TRP C 109 14.155 40.068 13.017 1.00 15.46 C +ATOM 689 CZ2 TRP C 109 13.328 37.354 13.184 1.00 22.00 C +ATOM 690 CZ3 TRP C 109 12.935 39.708 13.596 1.00 18.62 C +ATOM 691 CH2 TRP C 109 12.538 38.361 13.677 1.00 18.24 C +ATOM 692 N SER C 110 16.518 43.312 10.458 1.00 19.43 N +ATOM 693 CA SER C 110 16.959 44.693 10.518 1.00 19.49 C +ATOM 694 C SER C 110 17.939 44.886 11.677 1.00 23.22 C +ATOM 695 O SER C 110 18.151 43.983 12.504 1.00 17.10 O +ATOM 696 CB SER C 110 15.759 45.623 10.706 1.00 15.19 C +ATOM 697 OG SER C 110 15.334 45.621 12.053 1.00 13.88 O +ATOM 698 N GLU C 111 18.544 46.069 11.721 1.00 22.49 N +ATOM 699 CA GLU C 111 19.285 46.491 12.890 1.00 21.74 C +ATOM 700 C GLU C 111 18.304 46.821 14.015 1.00 16.62 C +ATOM 701 O GLU C 111 17.098 46.942 13.790 1.00 15.87 O +ATOM 702 CB GLU C 111 20.145 47.711 12.541 1.00 25.01 C +ATOM 703 CG GLU C 111 21.188 47.423 11.468 1.00 38.59 C +ATOM 704 CD GLU C 111 22.176 46.318 11.859 1.00 55.05 C +ATOM 705 OE1 GLU C 111 22.806 46.410 12.949 1.00 61.81 O +ATOM 706 OE2 GLU C 111 22.332 45.370 11.051 1.00 58.99 O +ATOM 707 N GLN C 112 18.818 46.952 15.230 1.00 16.91 N +ATOM 708 CA GLN C 112 17.984 47.334 16.372 1.00 17.73 C +ATOM 709 C GLN C 112 17.453 48.776 16.286 1.00 17.68 C +ATOM 710 O GLN C 112 18.165 49.707 15.890 1.00 15.53 O +ATOM 711 CB GLN C 112 18.760 47.153 17.687 1.00 16.59 C +ATOM 712 CG GLN C 112 19.191 45.715 17.992 1.00 20.78 C +ATOM 713 CD GLN C 112 18.026 44.783 18.324 1.00 20.40 C +ATOM 714 OE1 GLN C 112 16.897 45.232 18.538 1.00 19.23 O +ATOM 715 NE2 GLN C 112 18.304 43.477 18.378 1.00 16.99 N +ATOM 716 N SER C 113 16.200 48.953 16.686 1.00 13.29 N +ATOM 717 CA SER C 113 15.668 50.276 16.957 1.00 15.21 C +ATOM 718 C SER C 113 16.409 50.873 18.157 1.00 20.26 C +ATOM 719 O SER C 113 17.074 50.163 18.918 1.00 19.88 O +ATOM 720 CB SER C 113 14.183 50.175 17.308 1.00 14.16 C +ATOM 721 OG SER C 113 13.999 49.824 18.670 1.00 10.86 O +ATOM 722 N ASP C 114 16.293 52.178 18.334 1.00 15.55 N +ATOM 723 CA ASP C 114 16.767 52.789 19.566 1.00 21.54 C +ATOM 724 C ASP C 114 15.990 52.229 20.757 1.00 19.64 C +ATOM 725 O ASP C 114 14.921 51.628 20.580 1.00 14.60 O +ATOM 726 CB ASP C 114 16.593 54.301 19.500 1.00 27.40 C +ATOM 727 CG ASP C 114 17.704 55.029 20.182 1.00 39.35 C +ATOM 728 OD1 ASP C 114 18.242 54.507 21.195 1.00 40.13 O +ATOM 729 OD2 ASP C 114 18.044 56.124 19.694 1.00 47.34 O +ATOM 730 N TYR C 115 16.533 52.430 21.961 1.00 17.04 N +ATOM 731 CA TYR C 115 15.859 52.022 23.189 1.00 17.87 C +ATOM 732 C TYR C 115 14.735 52.965 23.556 1.00 24.19 C +ATOM 733 O TYR C 115 14.786 54.165 23.300 1.00 26.57 O +ATOM 734 CB TYR C 115 16.832 51.925 24.366 1.00 19.32 C +ATOM 735 CG TYR C 115 17.655 50.655 24.366 1.00 21.35 C +ATOM 736 CD1 TYR C 115 18.985 50.659 23.927 1.00 25.44 C +ATOM 737 CD2 TYR C 115 17.099 49.448 24.778 1.00 23.28 C +ATOM 738 CE1 TYR C 115 19.741 49.496 23.916 1.00 25.80 C +ATOM 739 CE2 TYR C 115 17.842 48.275 24.767 1.00 25.42 C +ATOM 740 CZ TYR C 115 19.161 48.308 24.339 1.00 26.06 C +ATOM 741 OH TYR C 115 19.898 47.148 24.332 1.00 33.39 O +ATOM 742 N LEU C 116 13.712 52.387 24.160 1.00 21.53 N +ATOM 743 CA LEU C 116 12.639 53.129 24.782 1.00 21.36 C +ATOM 744 C LEU C 116 12.539 52.535 26.173 1.00 23.01 C +ATOM 745 O LEU C 116 12.639 51.321 26.340 1.00 26.03 O +ATOM 746 CB LEU C 116 11.333 52.903 24.019 1.00 30.25 C +ATOM 747 CG LEU C 116 10.251 53.978 24.077 1.00 35.87 C +ATOM 748 CD1 LEU C 116 10.620 55.180 23.200 1.00 40.96 C +ATOM 749 CD2 LEU C 116 8.914 53.397 23.673 1.00 33.48 C +ATOM 750 N GLU C 117 12.383 53.386 27.177 1.00 26.98 N +ATOM 751 CA GLU C 117 12.195 52.907 28.537 1.00 30.71 C +ATOM 752 C GLU C 117 10.758 53.121 29.002 1.00 30.52 C +ATOM 753 O GLU C 117 10.232 54.233 28.925 1.00 28.63 O +ATOM 754 CB GLU C 117 13.167 53.582 29.506 1.00 31.11 C +ATOM 755 CG GLU C 117 13.023 53.069 30.919 1.00 33.63 C +ATOM 756 CD GLU C 117 14.239 53.338 31.758 1.00 41.80 C +ATOM 757 OE1 GLU C 117 14.999 54.270 31.417 1.00 44.82 O +ATOM 758 OE2 GLU C 117 14.432 52.614 32.760 1.00 43.66 O +ATOM 759 N LEU C 118 10.125 52.042 29.459 1.00 24.80 N +ATOM 760 CA LEU C 118 8.798 52.141 30.026 1.00 24.07 C +ATOM 761 C LEU C 118 8.936 52.383 31.516 1.00 26.49 C +ATOM 762 O LEU C 118 9.691 51.682 32.193 1.00 23.62 O +ATOM 763 CB LEU C 118 8.002 50.866 29.782 1.00 21.42 C +ATOM 764 CG LEU C 118 6.543 50.929 30.216 1.00 21.11 C +ATOM 765 CD1 LEU C 118 5.880 52.088 29.524 1.00 24.65 C +ATOM 766 CD2 LEU C 118 5.837 49.643 29.884 1.00 24.87 C +ATOM 767 N LEU C 119 8.210 53.382 32.017 1.00 32.68 N +ATOM 768 CA LEU C 119 8.202 53.709 33.443 1.00 38.79 C +ATOM 769 C LEU C 119 6.868 53.335 34.089 1.00 38.85 C +ATOM 770 O LEU C 119 5.837 53.964 33.838 1.00 37.64 O +ATOM 771 CB LEU C 119 8.521 55.190 33.660 1.00 40.77 C +ATOM 772 CG LEU C 119 9.941 55.549 33.215 1.00 44.73 C +ATOM 773 CD1 LEU C 119 10.113 57.054 33.085 1.00 49.04 C +ATOM 774 CD2 LEU C 119 10.982 54.952 34.164 1.00 42.43 C +ATOM 775 N VAL C 120 6.894 52.288 34.904 1.00 39.77 N +ATOM 776 CA VAL C 120 5.685 51.815 35.570 1.00 48.65 C +ATOM 777 C VAL C 120 5.541 52.466 36.937 1.00 52.81 C +ATOM 778 O VAL C 120 6.107 52.006 37.938 1.00 54.04 O +ATOM 779 CB VAL C 120 5.669 50.282 35.715 1.00 51.61 C +ATOM 780 CG1 VAL C 120 4.490 49.838 36.587 1.00 45.72 C +ATOM 781 CG2 VAL C 120 5.635 49.620 34.331 1.00 52.59 C +ATOM 782 N LYS C 121 4.779 53.547 36.958 1.00 50.69 N +ATOM 783 CA LYS C 121 4.575 54.330 38.154 1.00 58.63 C +ATOM 784 C LYS C 121 3.497 55.305 37.751 1.00 66.18 C +ATOM 785 O LYS C 121 3.230 55.464 36.559 1.00 66.92 O +ATOM 786 CB LYS C 121 5.854 55.089 38.508 1.00 60.03 C +ATOM 787 CG LYS C 121 6.360 55.959 37.368 1.00 57.90 C +ATOM 788 CD LYS C 121 7.559 56.793 37.761 1.00 58.35 C +ATOM 789 CE LYS C 121 8.074 57.566 36.562 1.00 59.59 C +ATOM 790 NZ LYS C 121 9.020 58.642 36.952 1.00 63.76 N +ATOM 791 N GLU C 122 2.869 55.946 38.730 1.00 70.28 N +ATOM 792 CA GLU C 122 1.937 57.028 38.450 1.00 72.91 C +ATOM 793 C GLU C 122 2.623 58.052 37.530 1.00 71.80 C +ATOM 794 O GLU C 122 3.833 58.285 37.648 1.00 74.03 O +ATOM 795 CB GLU C 122 1.496 57.673 39.767 1.00 78.82 C +ATOM 796 CG GLU C 122 1.064 56.659 40.828 1.00 85.54 C +ATOM 797 CD GLU C 122 0.933 57.264 42.218 1.00 94.29 C +ATOM 798 OE1 GLU C 122 1.430 58.391 42.427 1.00 99.03 O +ATOM 799 OE2 GLU C 122 0.335 56.609 43.103 1.00 94.75 O +ATOM 800 N ALA C 123 1.873 58.641 36.599 1.00 64.35 N +ATOM 801 CA ALA C 123 2.451 59.638 35.698 1.00 58.47 C +ATOM 802 C ALA C 123 2.375 61.033 36.303 1.00 61.83 C +ATOM 803 O ALA C 123 3.216 61.886 36.025 1.00 64.54 O +ATOM 804 CB ALA C 123 1.764 59.610 34.351 1.00 54.77 C Added: SwiftApps/modFTdock/input/indata/3kqi-2.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3kqi-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3kqi-2.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,610 @@ +ATOM 1 N GLY A -1 -13.966 24.881 3.471 1.00 33.79 N +ATOM 2 CA GLY A -1 -14.168 24.044 2.248 1.00 33.22 C +ATOM 3 C GLY A -1 -15.223 24.594 1.310 1.00 32.88 C +ATOM 4 O GLY A -1 -15.370 25.806 1.170 1.00 32.13 O +ATOM 5 N SER A 0 -15.981 23.695 0.683 1.00 32.91 N +ATOM 6 CA SER A 0 -17.002 24.090 -0.290 1.00 33.05 C +ATOM 7 C SER A 0 -18.128 24.954 0.301 1.00 32.50 C +ATOM 8 O SER A 0 -18.782 25.693 -0.429 1.00 32.23 O +ATOM 9 CB SER A 0 -17.589 22.866 -0.994 1.00 33.38 C +ATOM 10 OG SER A 0 -18.221 22.005 -0.069 1.00 35.54 O +ATOM 11 N MET A 1 -18.335 24.867 1.615 1.00 31.97 N +ATOM 12 CA MET A 1 -19.394 25.640 2.285 1.00 31.57 C +ATOM 13 C MET A 1 -18.931 26.985 2.869 1.00 30.45 C +ATOM 14 O MET A 1 -19.686 27.656 3.589 1.00 30.43 O +ATOM 15 CB MET A 1 -20.077 24.784 3.361 1.00 32.42 C +ATOM 16 CG MET A 1 -20.791 23.555 2.802 1.00 34.00 C +ATOM 17 SD MET A 1 -21.971 23.970 1.494 1.00 40.67 S +ATOM 18 CE MET A 1 -22.335 22.342 0.845 1.00 36.60 C +ATOM 19 N ALA A 2 -17.699 27.381 2.550 1.00 29.06 N +ATOM 20 CA ALA A 2 -17.158 28.658 3.000 1.00 27.71 C +ATOM 21 C ALA A 2 -17.974 29.806 2.417 1.00 27.01 C +ATOM 22 O ALA A 2 -18.543 29.685 1.331 1.00 27.02 O +ATOM 23 CB ALA A 2 -15.696 28.798 2.593 1.00 27.83 C +ATOM 24 N THR A 3 -18.029 30.917 3.140 1.00 25.56 N +ATOM 25 CA THR A 3 -18.656 32.116 2.605 1.00 24.26 C +ATOM 26 C THR A 3 -17.645 32.840 1.725 1.00 23.58 C +ATOM 27 O THR A 3 -16.443 32.590 1.814 1.00 23.46 O +ATOM 28 CB THR A 3 -19.118 33.064 3.721 1.00 24.23 C +ATOM 29 OG1 THR A 3 -17.981 33.459 4.497 1.00 24.72 O +ATOM 30 CG2 THR A 3 -20.154 32.375 4.634 1.00 23.92 C +ATOM 31 N VAL A 4 -18.155 33.738 0.885 1.00 22.83 N +ATOM 32 CA AVAL A 4 -17.329 34.568 0.018 0.50 22.85 C +ATOM 33 CA BVAL A 4 -17.336 34.562 0.010 0.50 22.73 C +ATOM 34 C VAL A 4 -17.872 35.993 0.098 1.00 22.63 C +ATOM 35 O VAL A 4 -19.096 36.189 0.100 1.00 22.01 O +ATOM 36 CB AVAL A 4 -17.309 34.031 -1.454 0.50 23.28 C +ATOM 37 CB BVAL A 4 -17.399 34.026 -1.444 0.50 23.17 C +ATOM 38 CG1AVAL A 4 -18.649 34.257 -2.172 0.50 22.39 C +ATOM 39 CG1BVAL A 4 -16.797 34.996 -2.432 0.50 23.21 C +ATOM 40 CG2AVAL A 4 -16.160 34.619 -2.255 0.50 23.94 C +ATOM 41 CG2BVAL A 4 -16.715 32.657 -1.545 0.50 22.00 C +ATOM 42 N PRO A 5 -16.967 37.002 0.198 1.00 22.54 N +ATOM 43 CA PRO A 5 -17.430 38.397 0.147 1.00 22.09 C +ATOM 44 C PRO A 5 -18.141 38.732 -1.166 1.00 22.28 C +ATOM 45 O PRO A 5 -17.752 38.239 -2.227 1.00 21.87 O +ATOM 46 CB PRO A 5 -16.122 39.198 0.201 1.00 22.29 C +ATOM 47 CG PRO A 5 -15.180 38.300 0.950 1.00 22.09 C +ATOM 48 CD PRO A 5 -15.505 36.938 0.415 1.00 22.31 C +ATOM 49 N VAL A 6 -19.148 39.598 -1.085 1.00 21.73 N +ATOM 50 CA VAL A 6 -19.846 40.088 -2.278 1.00 21.60 C +ATOM 51 C VAL A 6 -19.875 41.608 -2.228 1.00 21.08 C +ATOM 52 O VAL A 6 -19.733 42.202 -1.158 1.00 20.27 O +ATOM 53 CB VAL A 6 -21.284 39.501 -2.420 1.00 21.55 C +ATOM 54 CG1 VAL A 6 -21.225 37.979 -2.639 1.00 22.02 C +ATOM 55 CG2 VAL A 6 -22.144 39.834 -1.213 1.00 22.36 C +ATOM 56 N TYR A 7 -20.047 42.224 -3.393 1.00 20.68 N +ATOM 57 CA TYR A 7 -19.843 43.657 -3.539 1.00 21.23 C +ATOM 58 C TYR A 7 -20.846 44.254 -4.507 1.00 21.25 C +ATOM 59 O TYR A 7 -21.600 43.525 -5.139 1.00 21.06 O +ATOM 60 CB TYR A 7 -18.433 43.919 -4.106 1.00 21.10 C +ATOM 61 CG TYR A 7 -17.304 43.341 -3.291 1.00 22.17 C +ATOM 62 CD1 TYR A 7 -16.780 44.034 -2.193 1.00 22.20 C +ATOM 63 CD2 TYR A 7 -16.765 42.091 -3.606 1.00 21.79 C +ATOM 64 CE1 TYR A 7 -15.741 43.499 -1.449 1.00 22.90 C +ATOM 65 CE2 TYR A 7 -15.723 41.553 -2.866 1.00 21.72 C +ATOM 66 CZ TYR A 7 -15.216 42.257 -1.798 1.00 21.31 C +ATOM 67 OH TYR A 7 -14.181 41.717 -1.070 1.00 21.91 O +ATOM 68 N CYS A 8 -20.842 45.584 -4.600 1.00 21.95 N +ATOM 69 CA CYS A 8 -21.490 46.320 -5.699 1.00 22.64 C +ATOM 70 C CYS A 8 -23.014 46.313 -5.609 1.00 23.38 C +ATOM 71 O CYS A 8 -23.590 45.730 -4.686 1.00 23.69 O +ATOM 72 CB CYS A 8 -21.015 45.777 -7.060 1.00 22.63 C +ATOM 73 SG CYS A 8 -21.360 46.800 -8.522 1.00 23.23 S +ATOM 74 N VAL A 9 -23.672 46.972 -6.561 1.00 23.47 N +ATOM 75 CA VAL A 9 -25.135 46.876 -6.655 1.00 24.28 C +ATOM 76 C VAL A 9 -25.594 45.481 -7.107 1.00 24.31 C +ATOM 77 O VAL A 9 -26.708 45.046 -6.793 1.00 24.94 O +ATOM 78 CB VAL A 9 -25.740 47.976 -7.571 1.00 24.28 C +ATOM 79 CG1 VAL A 9 -25.420 49.358 -7.021 1.00 25.05 C +ATOM 80 CG2 VAL A 9 -25.241 47.852 -9.007 1.00 25.24 C +ATOM 81 N CYS A 10 -24.729 44.771 -7.825 1.00 23.84 N +ATOM 82 CA CYS A 10 -25.094 43.458 -8.375 1.00 23.34 C +ATOM 83 C CYS A 10 -24.962 42.316 -7.363 1.00 23.12 C +ATOM 84 O CYS A 10 -25.474 41.217 -7.597 1.00 23.16 O +ATOM 85 CB CYS A 10 -24.252 43.166 -9.622 1.00 23.72 C +ATOM 86 SG CYS A 10 -22.474 43.180 -9.289 1.00 23.34 S +ATOM 87 N ARG A 11 -24.304 42.596 -6.238 1.00 22.39 N +ATOM 88 CA ARG A 11 -24.047 41.607 -5.166 1.00 22.45 C +ATOM 89 C ARG A 11 -23.335 40.355 -5.678 1.00 22.91 C +ATOM 90 O ARG A 11 -23.769 39.234 -5.424 1.00 23.43 O +ATOM 91 CB ARG A 11 -25.318 41.233 -4.379 1.00 22.25 C +ATOM 92 CG ARG A 11 -26.153 42.415 -3.899 1.00 22.23 C +ATOM 93 CD ARG A 11 -25.289 43.493 -3.274 1.00 22.42 C +ATOM 94 NE ARG A 11 -24.690 43.110 -1.997 1.00 22.71 N +ATOM 95 CZ ARG A 11 -23.664 43.753 -1.447 1.00 23.95 C +ATOM 96 NH1 ARG A 11 -23.119 44.778 -2.084 1.00 23.54 N +ATOM 97 NH2 ARG A 11 -23.173 43.373 -0.270 1.00 23.03 N +ATOM 98 N LEU A 12 -22.247 40.567 -6.416 1.00 22.84 N +ATOM 99 CA LEU A 12 -21.407 39.475 -6.873 1.00 23.39 C +ATOM 100 C LEU A 12 -20.100 39.415 -6.087 1.00 23.18 C +ATOM 101 O LEU A 12 -19.627 40.441 -5.577 1.00 22.86 O +ATOM 102 CB LEU A 12 -21.083 39.634 -8.365 1.00 23.22 C +ATOM 103 CG LEU A 12 -22.225 39.498 -9.384 1.00 25.46 C +ATOM 104 CD1 LEU A 12 -21.640 39.532 -10.797 1.00 26.49 C +ATOM 105 CD2 LEU A 12 -23.038 38.238 -9.188 1.00 27.34 C +ATOM 106 N PRO A 13 -19.491 38.212 -6.026 1.00 23.48 N +ATOM 107 CA PRO A 13 -18.152 38.071 -5.466 1.00 23.28 C +ATOM 108 C PRO A 13 -17.153 38.721 -6.415 1.00 23.07 C +ATOM 109 O PRO A 13 -17.483 39.009 -7.572 1.00 22.57 O +ATOM 110 CB PRO A 13 -17.915 36.561 -5.452 1.00 23.67 C +ATOM 111 CG PRO A 13 -19.210 35.919 -5.848 1.00 24.64 C +ATOM 112 CD PRO A 13 -20.017 36.940 -6.549 1.00 23.82 C +ATOM 113 N TYR A 14 -15.942 38.940 -5.921 1.00 22.19 N +ATOM 114 CA TYR A 14 -14.934 39.649 -6.679 1.00 22.23 C +ATOM 115 C TYR A 14 -14.497 38.848 -7.918 1.00 21.86 C +ATOM 116 O TYR A 14 -14.353 37.626 -7.861 1.00 21.72 O +ATOM 117 CB TYR A 14 -13.751 39.981 -5.756 1.00 22.38 C +ATOM 118 CG TYR A 14 -12.625 40.746 -6.423 1.00 22.06 C +ATOM 119 CD1 TYR A 14 -12.875 41.863 -7.228 1.00 22.61 C +ATOM 120 CD2 TYR A 14 -11.301 40.368 -6.212 1.00 23.62 C +ATOM 121 CE1 TYR A 14 -11.823 42.560 -7.834 1.00 21.33 C +ATOM 122 CE2 TYR A 14 -10.247 41.061 -6.810 1.00 23.89 C +ATOM 123 CZ TYR A 14 -10.520 42.147 -7.622 1.00 22.12 C +ATOM 124 OH TYR A 14 -9.472 42.831 -8.212 1.00 23.16 O +ATOM 125 N ASP A 15 -14.310 39.562 -9.026 1.00 21.57 N +ATOM 126 CA ASP A 15 -13.833 39.026 -10.294 1.00 21.48 C +ATOM 127 C ASP A 15 -12.634 39.890 -10.717 1.00 21.77 C +ATOM 128 O ASP A 15 -12.798 41.074 -11.038 1.00 21.60 O +ATOM 129 CB ASP A 15 -14.985 39.104 -11.310 1.00 21.27 C +ATOM 130 CG ASP A 15 -14.568 38.765 -12.746 1.00 21.67 C +ATOM 131 OD1 ASP A 15 -13.370 38.560 -13.031 1.00 22.43 O +ATOM 132 OD2 ASP A 15 -15.471 38.717 -13.608 1.00 21.06 O +ATOM 133 N VAL A 16 -11.428 39.319 -10.684 1.00 21.47 N +ATOM 134 CA VAL A 16 -10.209 40.124 -10.946 1.00 22.66 C +ATOM 135 C VAL A 16 -10.115 40.693 -12.367 1.00 22.90 C +ATOM 136 O VAL A 16 -9.251 41.532 -12.645 1.00 24.02 O +ATOM 137 CB VAL A 16 -8.894 39.340 -10.634 1.00 22.62 C +ATOM 138 CG1 VAL A 16 -8.909 38.847 -9.198 1.00 23.80 C +ATOM 139 CG2 VAL A 16 -8.708 38.169 -11.608 1.00 23.81 C +ATOM 140 N THR A 17 -10.985 40.230 -13.264 1.00 22.97 N +ATOM 141 CA THR A 17 -10.961 40.696 -14.658 1.00 22.79 C +ATOM 142 C THR A 17 -11.811 41.941 -14.882 1.00 22.90 C +ATOM 143 O THR A 17 -11.830 42.486 -15.988 1.00 23.41 O +ATOM 144 CB THR A 17 -11.397 39.585 -15.644 1.00 22.79 C +ATOM 145 OG1 THR A 17 -12.788 39.296 -15.470 1.00 22.49 O +ATOM 146 CG2 THR A 17 -10.582 38.330 -15.405 1.00 23.10 C +ATOM 147 N ARG A 18 -12.486 42.403 -13.826 1.00 22.93 N +ATOM 148 CA ARG A 18 -13.363 43.574 -13.919 1.00 23.05 C +ATOM 149 C ARG A 18 -12.908 44.705 -13.007 1.00 23.19 C +ATOM 150 O ARG A 18 -12.611 44.483 -11.831 1.00 23.08 O +ATOM 151 CB ARG A 18 -14.806 43.194 -13.581 1.00 23.25 C +ATOM 152 CG ARG A 18 -15.372 42.151 -14.534 1.00 23.10 C +ATOM 153 CD ARG A 18 -16.764 41.767 -14.127 1.00 22.77 C +ATOM 154 NE ARG A 18 -17.716 42.855 -14.343 1.00 23.23 N +ATOM 155 CZ ARG A 18 -18.973 42.823 -13.908 1.00 23.44 C +ATOM 156 NH1 ARG A 18 -19.407 41.773 -13.227 1.00 22.44 N +ATOM 157 NH2 ARG A 18 -19.789 43.842 -14.145 1.00 23.15 N +ATOM 158 N PHE A 19 -12.850 45.907 -13.573 1.00 22.88 N +ATOM 159 CA PHE A 19 -12.468 47.110 -12.845 1.00 23.56 C +ATOM 160 C PHE A 19 -13.496 47.446 -11.750 1.00 22.94 C +ATOM 161 O PHE A 19 -14.705 47.328 -11.970 1.00 23.45 O +ATOM 162 CB PHE A 19 -12.317 48.288 -13.822 1.00 24.02 C +ATOM 163 CG PHE A 19 -12.318 49.625 -13.153 1.00 25.10 C +ATOM 164 CD1 PHE A 19 -11.200 50.061 -12.440 1.00 25.95 C +ATOM 165 CD2 PHE A 19 -13.450 50.431 -13.202 1.00 25.75 C +ATOM 166 CE1 PHE A 19 -11.211 51.303 -11.796 1.00 27.73 C +ATOM 167 CE2 PHE A 19 -13.465 51.674 -12.555 1.00 27.23 C +ATOM 168 CZ PHE A 19 -12.351 52.091 -11.845 1.00 25.93 C +ATOM 169 N MET A 20 -13.009 47.867 -10.584 1.00 22.88 N +ATOM 170 CA MET A 20 -13.892 48.325 -9.495 1.00 22.71 C +ATOM 171 C MET A 20 -13.397 49.591 -8.802 1.00 23.16 C +ATOM 172 O MET A 20 -12.189 49.861 -8.756 1.00 23.45 O +ATOM 173 CB MET A 20 -14.110 47.220 -8.445 1.00 22.25 C +ATOM 174 CG MET A 20 -14.595 45.895 -9.017 1.00 22.73 C +ATOM 175 SD MET A 20 -15.015 44.741 -7.688 1.00 23.84 S +ATOM 176 CE MET A 20 -16.738 45.138 -7.400 1.00 24.18 C +ATOM 177 N ILE A 21 -14.340 50.356 -8.254 1.00 23.05 N +ATOM 178 CA ILE A 21 -14.025 51.591 -7.530 1.00 23.06 C +ATOM 179 C ILE A 21 -14.731 51.597 -6.165 1.00 23.48 C +ATOM 180 O ILE A 21 -15.867 51.130 -6.047 1.00 23.40 O +ATOM 181 CB ILE A 21 -14.372 52.844 -8.402 1.00 23.12 C +ATOM 182 CG1 ILE A 21 -13.938 54.153 -7.719 1.00 23.46 C +ATOM 183 CG2 ILE A 21 -15.862 52.839 -8.811 1.00 23.41 C +ATOM 184 CD1 ILE A 21 -13.940 55.367 -8.689 1.00 23.27 C +ATOM 185 N GLU A 22 -14.044 52.082 -5.131 1.00 23.39 N +ATOM 186 CA GLU A 22 -14.589 52.076 -3.786 1.00 24.20 C +ATOM 187 C GLU A 22 -15.380 53.351 -3.540 1.00 24.20 C +ATOM 188 O GLU A 22 -14.906 54.451 -3.850 1.00 23.92 O +ATOM 189 CB GLU A 22 -13.451 51.985 -2.758 1.00 24.17 C +ATOM 190 CG GLU A 22 -13.927 51.826 -1.322 1.00 26.57 C +ATOM 191 CD GLU A 22 -12.833 52.160 -0.315 1.00 29.50 C +ATOM 192 OE1 GLU A 22 -12.132 53.174 -0.510 1.00 31.92 O +ATOM 193 OE2 GLU A 22 -12.697 51.425 0.678 1.00 31.92 O +ATOM 194 N CYS A 23 -16.583 53.205 -2.994 1.00 23.42 N +ATOM 195 CA CYS A 23 -17.316 54.361 -2.503 1.00 23.34 C +ATOM 196 C CYS A 23 -16.719 54.804 -1.164 1.00 23.66 C +ATOM 197 O CYS A 23 -16.656 54.026 -0.213 1.00 22.31 O +ATOM 198 CB CYS A 23 -18.806 54.037 -2.337 1.00 24.04 C +ATOM 199 SG CYS A 23 -19.725 55.399 -1.600 1.00 22.38 S +ATOM 200 N ASP A 24 -16.304 56.063 -1.089 1.00 23.54 N +ATOM 201 CA ASP A 24 -15.660 56.574 0.124 1.00 24.13 C +ATOM 202 C ASP A 24 -16.608 56.617 1.323 1.00 24.26 C +ATOM 203 O ASP A 24 -16.161 56.637 2.476 1.00 24.97 O +ATOM 204 CB ASP A 24 -15.060 57.960 -0.120 1.00 23.85 C +ATOM 205 CG ASP A 24 -14.152 58.410 1.023 1.00 26.41 C +ATOM 206 OD1 ASP A 24 -13.229 57.646 1.412 1.00 25.81 O +ATOM 207 OD2 ASP A 24 -14.378 59.521 1.546 1.00 29.86 O +ATOM 208 N ALA A 25 -17.911 56.626 1.050 1.00 24.37 N +ATOM 209 CA ALA A 25 -18.912 56.721 2.118 1.00 24.80 C +ATOM 210 C ALA A 25 -19.260 55.361 2.714 1.00 25.03 C +ATOM 211 O ALA A 25 -19.003 55.118 3.906 1.00 25.62 O +ATOM 212 CB ALA A 25 -20.180 57.466 1.631 1.00 24.95 C +ATOM 213 N CYS A 26 -19.841 54.470 1.906 1.00 24.62 N +ATOM 214 CA CYS A 26 -20.301 53.173 2.416 1.00 24.39 C +ATOM 215 C CYS A 26 -19.196 52.108 2.438 1.00 24.25 C +ATOM 216 O CYS A 26 -19.372 51.029 3.030 1.00 24.12 O +ATOM 217 CB CYS A 26 -21.515 52.675 1.619 1.00 24.31 C +ATOM 218 SG CYS A 26 -21.182 52.272 -0.108 1.00 25.68 S +ATOM 219 N LYS A 27 -18.078 52.405 1.765 1.00 23.58 N +ATOM 220 CA LYS A 27 -16.901 51.513 1.697 1.00 23.80 C +ATOM 221 C LYS A 27 -17.137 50.209 0.913 1.00 24.21 C +ATOM 222 O LYS A 27 -16.303 49.291 0.945 1.00 25.25 O +ATOM 223 CB LYS A 27 -16.323 51.208 3.102 1.00 23.70 C +ATOM 224 CG LYS A 27 -16.017 52.429 3.971 1.00 23.00 C +ATOM 225 CD LYS A 27 -15.041 53.393 3.275 1.00 22.45 C +ATOM 226 CE LYS A 27 -14.558 54.455 4.237 1.00 24.08 C +ATOM 227 NZ LYS A 27 -13.734 55.484 3.547 1.00 23.15 N +ATOM 228 N ASP A 28 -18.259 50.126 0.204 1.00 23.88 N +ATOM 229 CA ASP A 28 -18.483 48.988 -0.686 1.00 23.53 C +ATOM 230 C ASP A 28 -17.720 49.284 -1.973 1.00 23.56 C +ATOM 231 O ASP A 28 -17.255 50.419 -2.188 1.00 23.78 O +ATOM 232 CB ASP A 28 -19.981 48.779 -0.948 1.00 23.77 C +ATOM 233 CG ASP A 28 -20.333 47.322 -1.284 1.00 24.08 C +ATOM 234 OD1 ASP A 28 -19.467 46.569 -1.779 1.00 23.35 O +ATOM 235 OD2 ASP A 28 -21.500 46.934 -1.070 1.00 27.08 O +ATOM 236 N TRP A 29 -17.577 48.260 -2.810 1.00 23.30 N +ATOM 237 CA TRP A 29 -16.871 48.370 -4.079 1.00 23.05 C +ATOM 238 C TRP A 29 -17.822 48.138 -5.226 1.00 22.93 C +ATOM 239 O TRP A 29 -18.753 47.342 -5.102 1.00 21.98 O +ATOM 240 CB TRP A 29 -15.747 47.344 -4.138 1.00 23.42 C +ATOM 241 CG TRP A 29 -14.646 47.641 -3.169 1.00 23.33 C +ATOM 242 CD1 TRP A 29 -14.624 47.378 -1.816 1.00 24.04 C +ATOM 243 CD2 TRP A 29 -13.406 48.275 -3.478 1.00 23.24 C +ATOM 244 NE1 TRP A 29 -13.434 47.816 -1.277 1.00 24.31 N +ATOM 245 CE2 TRP A 29 -12.671 48.371 -2.274 1.00 23.75 C +ATOM 246 CE3 TRP A 29 -12.846 48.787 -4.662 1.00 24.31 C +ATOM 247 CZ2 TRP A 29 -11.393 48.940 -2.222 1.00 24.49 C +ATOM 248 CZ3 TRP A 29 -11.571 49.351 -4.606 1.00 24.26 C +ATOM 249 CH2 TRP A 29 -10.864 49.419 -3.392 1.00 24.51 C +ATOM 250 N PHE A 30 -17.572 48.822 -6.345 1.00 21.88 N +ATOM 251 CA PHE A 30 -18.531 48.874 -7.454 1.00 22.86 C +ATOM 252 C PHE A 30 -17.862 48.626 -8.795 1.00 22.75 C +ATOM 253 O PHE A 30 -16.822 49.221 -9.089 1.00 22.54 O +ATOM 254 CB PHE A 30 -19.243 50.237 -7.456 1.00 22.88 C +ATOM 255 CG PHE A 30 -20.072 50.459 -6.227 1.00 22.78 C +ATOM 256 CD1 PHE A 30 -21.405 50.061 -6.199 1.00 23.41 C +ATOM 257 CD2 PHE A 30 -19.498 50.995 -5.064 1.00 23.06 C +ATOM 258 CE1 PHE A 30 -22.167 50.210 -5.048 1.00 23.96 C +ATOM 259 CE2 PHE A 30 -20.260 51.143 -3.897 1.00 22.72 C +ATOM 260 CZ PHE A 30 -21.594 50.753 -3.896 1.00 23.97 C +ATOM 261 N HIS A 31 -18.439 47.732 -9.604 1.00 23.01 N +ATOM 262 CA HIS A 31 -17.960 47.534 -10.961 1.00 23.24 C +ATOM 263 C HIS A 31 -18.203 48.820 -11.721 1.00 23.69 C +ATOM 264 O HIS A 31 -19.305 49.371 -11.670 1.00 23.37 O +ATOM 265 CB HIS A 31 -18.730 46.416 -11.678 1.00 23.07 C +ATOM 266 CG HIS A 31 -18.531 45.056 -11.084 1.00 23.42 C +ATOM 267 ND1 HIS A 31 -19.544 44.374 -10.441 1.00 23.64 N +ATOM 268 CD2 HIS A 31 -17.447 44.243 -11.050 1.00 23.42 C +ATOM 269 CE1 HIS A 31 -19.091 43.200 -10.034 1.00 24.63 C +ATOM 270 NE2 HIS A 31 -17.820 43.098 -10.384 1.00 22.95 N +ATOM 271 N GLY A 32 -17.180 49.305 -12.418 1.00 23.96 N +ATOM 272 CA GLY A 32 -17.346 50.491 -13.255 1.00 25.15 C +ATOM 273 C GLY A 32 -18.528 50.332 -14.196 1.00 25.81 C +ATOM 274 O GLY A 32 -19.301 51.274 -14.403 1.00 26.24 O +ATOM 275 N SER A 33 -18.693 49.129 -14.746 1.00 25.97 N +ATOM 276 CA SER A 33 -19.794 48.867 -15.685 1.00 26.27 C +ATOM 277 C SER A 33 -21.178 48.912 -15.026 1.00 26.16 C +ATOM 278 O SER A 33 -22.174 49.173 -15.701 1.00 25.83 O +ATOM 279 CB SER A 33 -19.588 47.546 -16.440 1.00 26.62 C +ATOM 280 OG SER A 33 -19.358 46.481 -15.548 1.00 27.80 O +ATOM 281 N CYS A 34 -21.234 48.668 -13.715 1.00 25.79 N +ATOM 282 CA CYS A 34 -22.500 48.702 -12.964 1.00 25.70 C +ATOM 283 C CYS A 34 -22.914 50.117 -12.556 1.00 26.18 C +ATOM 284 O CYS A 34 -24.103 50.382 -12.336 1.00 26.83 O +ATOM 285 CB CYS A 34 -22.418 47.808 -11.716 1.00 25.55 C +ATOM 286 SG CYS A 34 -22.431 46.042 -12.076 1.00 23.99 S +ATOM 287 N VAL A 35 -21.943 51.015 -12.437 1.00 25.84 N +ATOM 288 CA VAL A 35 -22.217 52.370 -11.948 1.00 26.21 C +ATOM 289 C VAL A 35 -21.849 53.487 -12.935 1.00 26.49 C +ATOM 290 O VAL A 35 -21.910 54.671 -12.585 1.00 26.73 O +ATOM 291 CB VAL A 35 -21.526 52.648 -10.588 1.00 25.90 C +ATOM 292 CG1 VAL A 35 -22.104 51.757 -9.477 1.00 25.45 C +ATOM 293 CG2 VAL A 35 -20.004 52.503 -10.710 1.00 25.30 C +ATOM 294 N GLY A 36 -21.468 53.115 -14.156 1.00 26.79 N +ATOM 295 CA GLY A 36 -21.150 54.102 -15.195 1.00 27.42 C +ATOM 296 C GLY A 36 -19.834 54.840 -15.014 1.00 27.77 C +ATOM 297 O GLY A 36 -19.738 56.033 -15.304 1.00 27.68 O +ATOM 298 N VAL A 37 -18.812 54.130 -14.545 1.00 27.68 N +ATOM 299 CA VAL A 37 -17.477 54.700 -14.398 1.00 27.94 C +ATOM 300 C VAL A 37 -16.503 53.888 -15.250 1.00 28.56 C +ATOM 301 O VAL A 37 -16.392 52.678 -15.084 1.00 28.51 O +ATOM 302 CB VAL A 37 -17.003 54.696 -12.909 1.00 27.94 C +ATOM 303 CG1 VAL A 37 -15.556 55.191 -12.797 1.00 27.48 C +ATOM 304 CG2 VAL A 37 -17.930 55.549 -12.024 1.00 27.03 C +ATOM 305 N GLU A 38 -15.798 54.553 -16.161 1.00 29.19 N +ATOM 306 CA GLU A 38 -14.808 53.886 -17.008 1.00 29.93 C +ATOM 307 C GLU A 38 -13.483 53.790 -16.272 1.00 29.69 C +ATOM 308 O GLU A 38 -13.116 54.716 -15.549 1.00 30.01 O +ATOM 309 CB GLU A 38 -14.626 54.650 -18.325 1.00 30.48 C +ATOM 310 CG GLU A 38 -15.913 54.789 -19.111 1.00 33.28 C +ATOM 311 CD GLU A 38 -15.700 55.317 -20.512 1.00 37.85 C +ATOM 312 OE1 GLU A 38 -14.731 56.081 -20.735 1.00 39.76 O +ATOM 313 OE2 GLU A 38 -16.519 54.972 -21.394 1.00 40.00 O +ATOM 314 N GLU A 39 -12.773 52.674 -16.444 1.00 29.44 N +ATOM 315 CA GLU A 39 -11.490 52.469 -15.764 1.00 29.96 C +ATOM 316 C GLU A 39 -10.537 53.635 -16.029 1.00 30.11 C +ATOM 317 O GLU A 39 -9.869 54.115 -15.118 1.00 29.61 O +ATOM 318 CB GLU A 39 -10.851 51.120 -16.148 1.00 29.66 C +ATOM 319 CG GLU A 39 -9.488 50.862 -15.485 1.00 30.16 C +ATOM 320 CD GLU A 39 -9.045 49.403 -15.513 1.00 30.74 C +ATOM 321 OE1 GLU A 39 -9.680 48.585 -16.217 1.00 32.39 O +ATOM 322 OE2 GLU A 39 -8.052 49.071 -14.822 1.00 31.68 O +ATOM 323 N GLU A 40 -10.521 54.105 -17.274 1.00 30.35 N +ATOM 324 CA GLU A 40 -9.632 55.193 -17.684 1.00 31.15 C +ATOM 325 C GLU A 40 -10.021 56.579 -17.147 1.00 30.88 C +ATOM 326 O GLU A 40 -9.200 57.505 -17.160 1.00 31.17 O +ATOM 327 CB GLU A 40 -9.462 55.205 -19.215 1.00 31.91 C +ATOM 328 CG GLU A 40 -8.891 53.896 -19.815 1.00 35.51 C +ATOM 329 CD GLU A 40 -7.698 53.304 -19.041 1.00 41.28 C +ATOM 330 OE1 GLU A 40 -6.886 54.073 -18.474 1.00 43.82 O +ATOM 331 OE2 GLU A 40 -7.563 52.056 -19.008 1.00 43.09 O +ATOM 332 N GLU A 41 -11.257 56.725 -16.667 1.00 30.55 N +ATOM 333 CA GLU A 41 -11.711 57.995 -16.092 1.00 30.35 C +ATOM 334 C GLU A 41 -11.468 58.049 -14.588 1.00 28.71 C +ATOM 335 O GLU A 41 -11.400 59.130 -13.999 1.00 27.51 O +ATOM 336 CB GLU A 41 -13.194 58.252 -16.410 1.00 30.88 C +ATOM 337 CG GLU A 41 -14.185 57.797 -15.336 1.00 33.54 C +ATOM 338 CD GLU A 41 -15.639 57.938 -15.758 1.00 33.76 C +ATOM 339 OE1 GLU A 41 -16.060 57.251 -16.716 1.00 35.65 O +ATOM 340 OE2 GLU A 41 -16.362 58.734 -15.110 1.00 40.12 O +ATOM 341 N ALA A 42 -11.334 56.875 -13.966 1.00 27.35 N +ATOM 342 CA ALA A 42 -11.242 56.805 -12.511 1.00 26.78 C +ATOM 343 C ALA A 42 -10.056 57.547 -11.871 1.00 26.14 C +ATOM 344 O ALA A 42 -10.219 58.109 -10.781 1.00 26.32 O +ATOM 345 CB ALA A 42 -11.301 55.348 -12.033 1.00 26.61 C +ATOM 346 N PRO A 43 -8.873 57.559 -12.524 1.00 26.27 N +ATOM 347 CA PRO A 43 -7.754 58.316 -11.953 1.00 25.65 C +ATOM 348 C PRO A 43 -8.056 59.789 -11.710 1.00 25.98 C +ATOM 349 O PRO A 43 -7.387 60.408 -10.878 1.00 26.03 O +ATOM 350 CB PRO A 43 -6.663 58.165 -13.014 1.00 26.57 C +ATOM 351 CG PRO A 43 -6.956 56.849 -13.626 1.00 26.49 C +ATOM 352 CD PRO A 43 -8.455 56.880 -13.765 1.00 25.58 C +ATOM 353 N ASP A 44 -9.033 60.348 -12.425 1.00 25.50 N +ATOM 354 CA ASP A 44 -9.448 61.729 -12.174 1.00 25.44 C +ATOM 355 C ASP A 44 -10.455 61.916 -11.031 1.00 25.66 C +ATOM 356 O ASP A 44 -10.689 63.046 -10.590 1.00 25.75 O +ATOM 357 CB ASP A 44 -9.961 62.380 -13.459 1.00 25.38 C +ATOM 358 CG ASP A 44 -8.839 62.758 -14.385 1.00 25.48 C +ATOM 359 OD1 ASP A 44 -7.909 63.470 -13.933 1.00 23.76 O +ATOM 360 OD2 ASP A 44 -8.889 62.345 -15.556 1.00 25.78 O +ATOM 361 N ILE A 45 -11.043 60.824 -10.544 1.00 25.31 N +ATOM 362 CA ILE A 45 -11.979 60.923 -9.432 1.00 24.90 C +ATOM 363 C ILE A 45 -11.232 61.018 -8.094 1.00 25.19 C +ATOM 364 O ILE A 45 -10.371 60.196 -7.779 1.00 25.22 O +ATOM 365 CB ILE A 45 -13.039 59.763 -9.439 1.00 25.09 C +ATOM 366 CG1 ILE A 45 -13.778 59.737 -10.795 1.00 24.53 C +ATOM 367 CG2 ILE A 45 -14.018 59.921 -8.253 1.00 25.34 C +ATOM 368 CD1 ILE A 45 -14.574 58.451 -11.074 1.00 25.18 C +ATOM 369 N ASP A 46 -11.555 62.051 -7.325 1.00 25.22 N +ATOM 370 CA ASP A 46 -10.993 62.224 -5.998 1.00 25.78 C +ATOM 371 C ASP A 46 -11.842 61.420 -5.019 1.00 26.12 C +ATOM 372 O ASP A 46 -11.463 60.311 -4.650 1.00 26.03 O +ATOM 373 CB ASP A 46 -10.955 63.719 -5.623 1.00 25.73 C +ATOM 374 CG ASP A 46 -10.306 63.977 -4.264 1.00 27.49 C +ATOM 375 OD1 ASP A 46 -10.428 65.119 -3.767 1.00 27.86 O +ATOM 376 OD2 ASP A 46 -9.673 63.056 -3.696 1.00 29.90 O +ATOM 377 N ILE A 47 -12.988 61.975 -4.610 1.00 26.38 N +ATOM 378 CA ILE A 47 -13.910 61.254 -3.726 1.00 26.80 C +ATOM 379 C ILE A 47 -15.022 60.623 -4.555 1.00 25.95 C +ATOM 380 O ILE A 47 -15.835 61.335 -5.150 1.00 25.95 O +ATOM 381 CB ILE A 47 -14.522 62.160 -2.622 1.00 26.74 C +ATOM 382 CG1 ILE A 47 -13.412 62.829 -1.795 1.00 27.82 C +ATOM 383 CG2 ILE A 47 -15.466 61.320 -1.717 1.00 26.89 C +ATOM 384 CD1 ILE A 47 -13.888 63.897 -0.790 1.00 28.74 C +ATOM 385 N TYR A 48 -15.056 59.291 -4.589 1.00 25.25 N +ATOM 386 CA TYR A 48 -16.126 58.572 -5.268 1.00 24.39 C +ATOM 387 C TYR A 48 -17.281 58.267 -4.323 1.00 23.97 C +ATOM 388 O TYR A 48 -17.077 57.723 -3.235 1.00 23.75 O +ATOM 389 CB TYR A 48 -15.644 57.272 -5.935 1.00 24.66 C +ATOM 390 CG TYR A 48 -16.802 56.571 -6.604 1.00 24.78 C +ATOM 391 CD1 TYR A 48 -17.382 57.112 -7.764 1.00 24.14 C +ATOM 392 CD2 TYR A 48 -17.364 55.412 -6.057 1.00 23.57 C +ATOM 393 CE1 TYR A 48 -18.476 56.516 -8.368 1.00 25.52 C +ATOM 394 CE2 TYR A 48 -18.483 54.799 -6.664 1.00 23.76 C +ATOM 395 CZ TYR A 48 -19.022 55.361 -7.819 1.00 24.82 C +ATOM 396 OH TYR A 48 -20.116 54.789 -8.436 1.00 25.44 O +ATOM 397 N HIS A 49 -18.487 58.647 -4.743 1.00 23.57 N +ATOM 398 CA HIS A 49 -19.712 58.235 -4.066 1.00 24.13 C +ATOM 399 C HIS A 49 -20.579 57.435 -5.031 1.00 24.56 C +ATOM 400 O HIS A 49 -20.842 57.877 -6.155 1.00 24.31 O +ATOM 401 CB HIS A 49 -20.486 59.444 -3.524 1.00 24.41 C +ATOM 402 CG HIS A 49 -19.840 60.092 -2.337 1.00 24.45 C +ATOM 403 ND1 HIS A 49 -20.134 61.379 -1.941 1.00 25.79 N +ATOM 404 CD2 HIS A 49 -18.928 59.624 -1.449 1.00 25.43 C +ATOM 405 CE1 HIS A 49 -19.431 61.678 -0.862 1.00 26.09 C +ATOM 406 NE2 HIS A 49 -18.688 60.632 -0.545 1.00 26.15 N +ATOM 407 N CYS A 50 -21.010 56.258 -4.586 1.00 24.77 N +ATOM 408 CA CYS A 50 -21.888 55.412 -5.387 1.00 25.85 C +ATOM 409 C CYS A 50 -23.262 56.086 -5.570 1.00 26.75 C +ATOM 410 O CYS A 50 -23.603 57.013 -4.829 1.00 26.25 O +ATOM 411 CB CYS A 50 -22.030 54.046 -4.718 1.00 25.53 C +ATOM 412 SG CYS A 50 -22.995 54.035 -3.186 1.00 25.45 S +ATOM 413 N PRO A 51 -24.050 55.631 -6.567 1.00 27.89 N +ATOM 414 CA PRO A 51 -25.373 56.206 -6.824 1.00 28.74 C +ATOM 415 C PRO A 51 -26.276 56.281 -5.588 1.00 29.33 C +ATOM 416 O PRO A 51 -26.998 57.263 -5.427 1.00 30.25 O +ATOM 417 CB PRO A 51 -25.954 55.266 -7.889 1.00 29.01 C +ATOM 418 CG PRO A 51 -24.735 54.823 -8.655 1.00 28.57 C +ATOM 419 CD PRO A 51 -23.722 54.574 -7.545 1.00 27.93 C +ATOM 420 N ASN A 52 -26.220 55.285 -4.712 1.00 30.00 N +ATOM 421 CA ASN A 52 -27.008 55.337 -3.469 1.00 30.88 C +ATOM 422 C ASN A 52 -26.500 56.400 -2.493 1.00 30.36 C +ATOM 423 O ASN A 52 -27.285 57.204 -1.977 1.00 30.82 O +ATOM 424 CB ASN A 52 -27.087 53.961 -2.807 1.00 31.20 C +ATOM 425 CG ASN A 52 -27.985 52.995 -3.574 1.00 34.07 C +ATOM 426 OD1 ASN A 52 -29.060 53.371 -4.060 1.00 37.52 O +ATOM 427 ND2 ASN A 52 -27.551 51.744 -3.683 1.00 36.34 N +ATOM 428 N CYS A 53 -25.186 56.435 -2.271 1.00 29.58 N +ATOM 429 CA CYS A 53 -24.591 57.411 -1.343 1.00 29.19 C +ATOM 430 C CYS A 53 -24.618 58.862 -1.823 1.00 29.84 C +ATOM 431 O CYS A 53 -24.605 59.781 -1.001 1.00 29.16 O +ATOM 432 CB CYS A 53 -23.164 57.012 -0.973 1.00 28.27 C +ATOM 433 SG CYS A 53 -23.105 55.581 0.117 1.00 26.19 S +ATOM 434 N GLU A 54 -24.653 59.061 -3.142 1.00 30.80 N +ATOM 435 CA GLU A 54 -24.775 60.395 -3.736 1.00 32.48 C +ATOM 436 C GLU A 54 -25.906 61.184 -3.091 1.00 32.62 C +ATOM 437 O GLU A 54 -25.769 62.373 -2.788 1.00 32.96 O +ATOM 438 CB GLU A 54 -25.122 60.289 -5.218 1.00 32.84 C +ATOM 439 CG GLU A 54 -24.004 59.967 -6.147 1.00 36.89 C +ATOM 440 CD GLU A 54 -24.470 59.978 -7.594 1.00 40.39 C +ATOM 441 OE1 GLU A 54 -25.600 59.511 -7.873 1.00 43.32 O +ATOM 442 OE2 GLU A 54 -23.713 60.459 -8.453 1.00 41.80 O +ATOM 443 N LYS A 55 -27.024 60.496 -2.896 1.00 33.03 N +ATOM 444 CA LYS A 55 -28.270 61.117 -2.468 1.00 33.73 C +ATOM 445 C LYS A 55 -28.139 61.868 -1.148 1.00 33.46 C +ATOM 446 O LYS A 55 -28.800 62.884 -0.951 1.00 34.10 O +ATOM 447 CB LYS A 55 -29.381 60.066 -2.398 1.00 33.92 C +ATOM 448 CG LYS A 55 -29.654 59.383 -3.734 1.00 35.43 C +ATOM 449 CD LYS A 55 -30.568 58.178 -3.586 1.00 38.05 C +ATOM 450 CE LYS A 55 -30.489 57.289 -4.823 1.00 39.27 C +ATOM 451 NZ LYS A 55 -31.559 56.254 -4.833 1.00 41.42 N +ATOM 452 N THR A 56 -27.279 61.386 -0.251 1.00 32.94 N +ATOM 453 CA THR A 56 -27.119 62.040 1.052 1.00 32.71 C +ATOM 454 C THR A 56 -25.727 62.619 1.307 1.00 31.84 C +ATOM 455 O THR A 56 -25.579 63.535 2.115 1.00 31.40 O +ATOM 456 CB THR A 56 -27.521 61.111 2.214 1.00 32.81 C +ATOM 457 OG1 THR A 56 -26.795 59.885 2.118 1.00 34.40 O +ATOM 458 CG2 THR A 56 -29.014 60.810 2.163 1.00 33.72 C +ATOM 459 N HIS A 57 -24.723 62.097 0.603 1.00 30.78 N +ATOM 460 CA HIS A 57 -23.332 62.479 0.821 1.00 30.34 C +ATOM 461 C HIS A 57 -22.762 63.344 -0.301 1.00 29.88 C +ATOM 462 O HIS A 57 -21.601 63.769 -0.236 1.00 29.55 O +ATOM 463 CB HIS A 57 -22.461 61.231 0.982 1.00 30.50 C +ATOM 464 CG HIS A 57 -22.816 60.398 2.170 1.00 32.07 C +ATOM 465 ND1 HIS A 57 -22.469 60.753 3.455 1.00 33.50 N +ATOM 466 CD2 HIS A 57 -23.478 59.222 2.270 1.00 34.27 C +ATOM 467 CE1 HIS A 57 -22.907 59.834 4.297 1.00 34.96 C +ATOM 468 NE2 HIS A 57 -23.523 58.894 3.603 1.00 34.83 N +ATOM 469 N GLY A 58 -23.571 63.591 -1.328 1.00 29.39 N +ATOM 470 CA GLY A 58 -23.186 64.477 -2.418 1.00 29.32 C +ATOM 471 C GLY A 58 -22.508 63.760 -3.567 1.00 29.21 C +ATOM 472 O GLY A 58 -22.060 62.619 -3.433 1.00 29.17 O +ATOM 473 N LYS A 59 -22.424 64.440 -4.706 1.00 28.97 N +ATOM 474 CA LYS A 59 -21.831 63.842 -5.899 1.00 29.00 C +ATOM 475 C LYS A 59 -20.326 63.624 -5.747 1.00 27.97 C +ATOM 476 O LYS A 59 -19.668 64.272 -4.926 1.00 27.85 O +ATOM 477 CB LYS A 59 -22.154 64.686 -7.139 1.00 29.74 C +ATOM 478 CG LYS A 59 -23.595 64.494 -7.607 1.00 31.85 C +ATOM 479 CD LYS A 59 -24.093 65.641 -8.463 1.00 35.45 C +ATOM 480 CE LYS A 59 -25.613 65.620 -8.517 1.00 36.63 C +ATOM 481 NZ LYS A 59 -26.161 66.686 -9.399 1.00 39.80 N +ATOM 482 N SER A 60 -19.795 62.689 -6.528 1.00 26.85 N +ATOM 483 CA SER A 60 -18.355 62.441 -6.571 1.00 26.01 C +ATOM 484 C SER A 60 -17.619 63.731 -6.935 1.00 25.96 C +ATOM 485 O SER A 60 -18.189 64.609 -7.582 1.00 25.81 O +ATOM 486 CB SER A 60 -18.029 61.364 -7.607 1.00 26.07 C +ATOM 487 OG SER A 60 -18.637 60.129 -7.275 1.00 25.34 O +ATOM 488 N THR A 61 -16.371 63.850 -6.494 1.00 25.67 N +ATOM 489 CA THR A 61 -15.550 65.019 -6.844 1.00 25.74 C +ATOM 490 C THR A 61 -14.392 64.619 -7.737 1.00 25.92 C +ATOM 491 O THR A 61 -13.998 63.444 -7.782 1.00 26.01 O +ATOM 492 CB THR A 61 -14.991 65.716 -5.600 1.00 25.50 C +ATOM 493 OG1 THR A 61 -14.234 64.776 -4.824 1.00 25.19 O +ATOM 494 CG2 THR A 61 -16.117 66.292 -4.757 1.00 26.41 C +ATOM 495 N LEU A 62 -13.835 65.605 -8.440 1.00 25.61 N +ATOM 496 CA LEU A 62 -12.671 65.368 -9.282 1.00 25.79 C +ATOM 497 C LEU A 62 -11.407 65.943 -8.645 1.00 25.32 C +ATOM 498 O LEU A 62 -11.467 66.940 -7.921 1.00 25.11 O +ATOM 499 CB LEU A 62 -12.883 65.966 -10.677 1.00 25.99 C +ATOM 500 CG LEU A 62 -14.072 65.436 -11.495 1.00 27.57 C +ATOM 501 CD1 LEU A 62 -14.089 66.061 -12.873 1.00 30.24 C +ATOM 502 CD2 LEU A 62 -14.041 63.916 -11.596 1.00 29.49 C +ATOM 503 N LYS A 63 -10.277 65.295 -8.922 1.00 24.58 N +ATOM 504 CA LYS A 63 -8.958 65.792 -8.513 1.00 24.36 C +ATOM 505 C LYS A 63 -8.629 67.096 -9.238 1.00 23.98 C +ATOM 506 O LYS A 63 -8.795 67.186 -10.455 1.00 24.29 O +ATOM 507 CB LYS A 63 -7.876 64.753 -8.833 1.00 24.26 C +ATOM 508 CG LYS A 63 -8.020 63.454 -8.041 1.00 24.26 C +ATOM 509 CD LYS A 63 -6.899 62.471 -8.380 1.00 24.18 C +ATOM 510 CE LYS A 63 -7.069 61.143 -7.619 1.00 23.95 C +ATOM 511 NZ LYS A 63 -6.260 60.088 -8.318 1.00 24.79 N +ATOM 512 N LYS A 64 -8.141 68.084 -8.489 1.00 23.55 N +ATOM 513 CA LYS A 64 -7.758 69.381 -9.056 1.00 23.78 C +ATOM 514 C LYS A 64 -6.316 69.384 -9.558 1.00 23.48 C +ATOM 515 O LYS A 64 -5.886 70.313 -10.254 1.00 22.54 O +ATOM 516 CB LYS A 64 -7.949 70.495 -8.021 1.00 24.10 C +ATOM 517 CG LYS A 64 -9.334 70.530 -7.397 1.00 26.91 C +ATOM 518 CD LYS A 64 -9.455 71.702 -6.438 1.00 30.45 C +ATOM 519 CE LYS A 64 -10.899 71.934 -6.025 1.00 32.50 C +ATOM 520 NZ LYS A 64 -11.015 73.195 -5.221 1.00 34.92 N +ATOM 521 N LYS A 65 -5.571 68.339 -9.204 1.00 23.71 N +ATOM 522 CA LYS A 65 -4.185 68.191 -9.646 1.00 24.38 C +ATOM 523 C LYS A 65 -3.894 66.712 -9.867 1.00 23.95 C +ATOM 524 O LYS A 65 -4.545 65.856 -9.265 1.00 24.21 O +ATOM 525 CB LYS A 65 -3.217 68.766 -8.602 1.00 25.01 C +ATOM 526 CG LYS A 65 -3.306 68.056 -7.239 1.00 27.68 C +ATOM 527 CD LYS A 65 -2.628 68.861 -6.148 1.00 32.46 C +ATOM 528 CE LYS A 65 -2.891 68.262 -4.775 1.00 34.49 C +ATOM 529 NZ LYS A 65 -2.140 66.998 -4.600 1.00 37.68 N +ATOM 530 N ARG A 66 -2.907 66.424 -10.709 1.00 23.85 N +ATOM 531 CA ARG A 66 -2.560 65.045 -11.070 1.00 24.33 C +ATOM 532 C ARG A 66 -1.050 64.856 -11.121 1.00 24.62 C +ATOM 533 O ARG A 66 -0.313 65.785 -11.462 1.00 23.38 O +ATOM 534 CB ARG A 66 -3.160 64.674 -12.440 1.00 24.22 C +ATOM 535 CG ARG A 66 -4.697 64.595 -12.487 1.00 24.13 C +ATOM 536 CD ARG A 66 -5.261 63.461 -11.606 1.00 24.13 C +ATOM 537 NE ARG A 66 -4.539 62.213 -11.853 1.00 25.27 N +ATOM 538 CZ ARG A 66 -4.733 61.420 -12.904 1.00 25.17 C +ATOM 539 NH1 ARG A 66 -5.651 61.711 -13.814 1.00 25.93 N +ATOM 540 NH2 ARG A 66 -3.993 60.330 -13.051 1.00 28.17 N +ATOM 541 N THR A 67 -0.598 63.647 -10.789 1.00 25.94 N +ATOM 542 CA THR A 67 0.803 63.284 -10.951 1.00 28.26 C +ATOM 543 C THR A 67 1.038 62.815 -12.385 1.00 29.71 C +ATOM 544 O THR A 67 0.460 61.828 -12.826 1.00 30.62 O +ATOM 545 CB THR A 67 1.217 62.177 -9.943 1.00 28.11 C +ATOM 546 OG1 THR A 67 0.859 62.590 -8.619 1.00 27.95 O +ATOM 547 CG2 THR A 67 2.715 61.915 -10.007 1.00 29.10 C +ATOM 548 N TRP A 68 1.858 63.555 -13.116 1.00 31.95 N +ATOM 549 CA TRP A 68 2.296 63.148 -14.445 1.00 33.83 C +ATOM 550 C TRP A 68 3.590 62.356 -14.256 1.00 34.26 C +ATOM 551 O TRP A 68 4.408 62.715 -13.410 1.00 35.50 O +ATOM 552 CB TRP A 68 2.515 64.410 -15.283 1.00 34.89 C +ATOM 553 CG TRP A 68 2.991 64.232 -16.706 1.00 36.13 C +ATOM 554 CD1 TRP A 68 3.914 64.997 -17.342 1.00 36.63 C +ATOM 555 CD2 TRP A 68 2.565 63.244 -17.662 1.00 37.16 C +ATOM 556 NE1 TRP A 68 4.093 64.566 -18.628 1.00 36.94 N +ATOM 557 CE2 TRP A 68 3.284 63.486 -18.853 1.00 37.88 C +ATOM 558 CE3 TRP A 68 1.655 62.181 -17.629 1.00 38.64 C +ATOM 559 CZ2 TRP A 68 3.120 62.706 -20.006 1.00 37.29 C +ATOM 560 CZ3 TRP A 68 1.497 61.399 -18.784 1.00 37.86 C +ATOM 561 CH2 TRP A 68 2.225 61.674 -19.952 1.00 36.62 C +ATOM 562 N HIS A 69 3.786 61.286 -15.018 1.00 34.02 N +ATOM 563 CA HIS A 69 4.972 60.417 -14.860 1.00 33.54 C +ATOM 564 C HIS A 69 4.703 59.348 -13.795 1.00 33.73 C +ATOM 565 O HIS A 69 3.966 59.591 -12.834 1.00 34.26 O +ATOM 566 CB HIS A 69 6.255 61.191 -14.478 1.00 33.00 C +ATOM 567 CG HIS A 69 6.769 62.126 -15.538 1.00 30.75 C +ATOM 568 ND1 HIS A 69 6.887 61.771 -16.865 1.00 28.83 N +ATOM 569 CD2 HIS A 69 7.247 63.390 -15.447 1.00 29.76 C +ATOM 570 CE1 HIS A 69 7.384 62.786 -17.550 1.00 29.45 C +ATOM 571 NE2 HIS A 69 7.613 63.781 -16.713 1.00 27.88 N +ATOM 573 N ALA B 1 -9.611 58.339 -5.677 1.00 22.93 N +ATOM 574 CA ALA B 1 -10.463 57.199 -5.228 1.00 23.00 C +ATOM 575 C ALA B 1 -9.643 55.918 -5.205 1.00 23.51 C +ATOM 576 O ALA B 1 -8.654 55.803 -5.929 1.00 24.37 O +ATOM 577 CB ALA B 1 -11.656 57.040 -6.156 1.00 23.38 C +ATOM 578 N ARG B 2 -10.049 54.956 -4.380 1.00 23.54 N +ATOM 579 CA ARG B 2 -9.393 53.651 -4.353 1.00 24.08 C +ATOM 580 C ARG B 2 -10.023 52.789 -5.432 1.00 23.93 C +ATOM 581 O ARG B 2 -11.245 52.797 -5.613 1.00 24.33 O +ATOM 582 CB ARG B 2 -9.553 52.969 -2.992 1.00 23.73 C +ATOM 583 CG ARG B 2 -8.908 53.734 -1.843 1.00 26.56 C +ATOM 584 CD ARG B 2 -9.213 53.045 -0.518 1.00 30.59 C +ATOM 585 NE ARG B 2 -8.387 51.872 -0.274 1.00 32.66 N +ATOM 586 CZ ARG B 2 -8.731 50.850 0.511 1.00 33.84 C +ATOM 587 NH1 ARG B 2 -9.917 50.813 1.110 1.00 32.94 N +ATOM 588 NH2 ARG B 2 -7.889 49.844 0.680 1.00 35.08 N +ATOM 589 N THR B 3 -9.188 52.047 -6.146 1.00 24.27 N +ATOM 590 CA THR B 3 -9.672 51.243 -7.259 1.00 24.53 C +ATOM 591 C THR B 3 -9.013 49.871 -7.280 1.00 25.11 C +ATOM 592 O THR B 3 -7.968 49.662 -6.654 1.00 25.35 O +ATOM 593 CB THR B 3 -9.354 51.917 -8.609 1.00 24.54 C +ATOM 594 OG1 THR B 3 -7.930 52.108 -8.722 1.00 23.51 O +ATOM 595 CG2 THR B 3 -10.091 53.260 -8.767 1.00 24.45 C +ATOM 608 N GLN B 5 -7.682 47.581 -10.271 1.00 27.82 N +ATOM 609 CA GLN B 5 -7.340 47.559 -11.696 1.00 30.08 C +ATOM 610 C GLN B 5 -7.550 46.210 -12.348 1.00 30.34 C +ATOM 611 O GLN B 5 -7.630 45.191 -11.664 1.00 31.05 O +ATOM 612 CB GLN B 5 -5.868 47.931 -11.878 1.00 30.55 C +ATOM 613 CG GLN B 5 -5.632 49.323 -12.382 1.00 34.22 C +ATOM 614 CD GLN B 5 -5.836 50.383 -11.324 1.00 36.28 C +ATOM 615 OE1 GLN B 5 -6.944 50.591 -10.846 1.00 38.25 O +ATOM 616 NE2 GLN B 5 -4.759 51.094 -10.985 1.00 37.72 N +ATOM 617 N THR B 6 -7.610 46.203 -13.678 1.00 31.05 N +ATOM 618 CA THR B 6 -7.629 44.955 -14.433 1.00 31.25 C +ATOM 619 C THR B 6 -6.261 44.678 -15.046 1.00 31.80 C +ATOM 620 O THR B 6 -5.544 45.607 -15.427 1.00 32.59 O +ATOM 621 CB THR B 6 -8.698 44.958 -15.543 1.00 31.31 C +ATOM 622 OG1 THR B 6 -8.503 46.083 -16.406 1.00 30.53 O +ATOM 623 CG2 THR B 6 -10.071 45.039 -14.947 1.00 31.75 C Added: SwiftApps/modFTdock/input/indata/3ktr-1.pdb =================================================================== --- SwiftApps/modFTdock/input/indata/3ktr-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/indata/3ktr-1.pdb 2011-04-06 20:33:26 UTC (rev 4292) @@ -0,0 +1,749 @@ +ATOM 1 N SER A 543 -16.228 -2.248 -19.887 1.00 45.12 N +ATOM 2 CA SER A 543 -14.873 -1.715 -20.216 1.00 45.10 C +ATOM 3 C SER A 543 -14.146 -1.250 -18.952 1.00 45.12 C +ATOM 4 O SER A 543 -14.268 -0.088 -18.550 1.00 45.29 O +ATOM 5 CB SER A 543 -14.975 -0.580 -21.240 1.00 45.02 C +ATOM 6 OG SER A 543 -13.694 -0.085 -21.592 1.00 45.48 O +ATOM 7 N PRO A 544 -13.390 -2.160 -18.311 1.00 45.05 N +ATOM 8 CA PRO A 544 -12.624 -1.793 -17.121 1.00 44.80 C +ATOM 9 C PRO A 544 -11.465 -0.835 -17.410 1.00 44.50 C +ATOM 10 O PRO A 544 -11.004 -0.720 -18.549 1.00 44.51 O +ATOM 11 CB PRO A 544 -12.088 -3.142 -16.613 1.00 45.08 C +ATOM 12 CG PRO A 544 -12.936 -4.192 -17.297 1.00 45.17 C +ATOM 13 CD PRO A 544 -13.234 -3.590 -18.635 1.00 45.17 C +ATOM 14 N LEU A 545 -11.024 -0.138 -16.370 1.00 43.82 N +ATOM 15 CA LEU A 545 -9.873 0.743 -16.460 1.00 43.18 C +ATOM 16 C LEU A 545 -8.614 -0.097 -16.362 1.00 42.82 C +ATOM 17 O LEU A 545 -8.476 -0.915 -15.452 1.00 42.66 O +ATOM 18 CB LEU A 545 -9.917 1.769 -15.326 1.00 43.08 C +ATOM 19 CG LEU A 545 -8.843 2.852 -15.268 1.00 43.89 C +ATOM 20 CD1 LEU A 545 -8.850 3.728 -16.519 1.00 41.38 C +ATOM 21 CD2 LEU A 545 -9.070 3.706 -14.041 1.00 43.92 C +ATOM 22 N THR A 546 -7.708 0.082 -17.317 1.00 42.25 N +ATOM 23 CA THR A 546 -6.456 -0.670 -17.316 1.00 42.38 C +ATOM 24 C THR A 546 -5.258 0.282 -17.225 1.00 42.38 C +ATOM 25 O THR A 546 -5.378 1.471 -17.543 1.00 41.75 O +ATOM 26 CB THR A 546 -6.357 -1.634 -18.534 1.00 42.49 C +ATOM 27 OG1 THR A 546 -5.322 -2.599 -18.300 1.00 43.79 O +ATOM 28 CG2 THR A 546 -6.075 -0.877 -19.828 1.00 41.60 C +ATOM 29 N ALA A 547 -4.123 -0.249 -16.768 1.00 42.52 N +ATOM 30 CA ALA A 547 -2.887 0.524 -16.602 1.00 42.92 C +ATOM 31 C ALA A 547 -2.402 1.142 -17.917 1.00 43.20 C +ATOM 32 O ALA A 547 -1.823 2.238 -17.917 1.00 43.21 O +ATOM 33 CB ALA A 547 -1.797 -0.355 -15.995 1.00 42.79 C +ATOM 34 N SER A 548 -2.635 0.430 -19.024 1.00 43.44 N +ATOM 35 CA SER A 548 -2.343 0.935 -20.369 1.00 43.75 C +ATOM 36 C SER A 548 -3.274 2.076 -20.802 1.00 44.03 C +ATOM 37 O SER A 548 -2.829 3.020 -21.467 1.00 44.42 O +ATOM 38 CB SER A 548 -2.373 -0.198 -21.397 1.00 43.85 C +ATOM 39 OG SER A 548 -1.224 -1.018 -21.275 1.00 43.28 O +ATOM 40 N MET A 549 -4.557 1.984 -20.439 1.00 44.11 N +ATOM 41 CA MET A 549 -5.507 3.087 -20.642 1.00 44.20 C +ATOM 42 C MET A 549 -4.989 4.360 -19.971 1.00 43.86 C +ATOM 43 O MET A 549 -4.950 5.434 -20.584 1.00 43.43 O +ATOM 44 CB MET A 549 -6.901 2.739 -20.085 1.00 44.19 C +ATOM 45 CG MET A 549 -7.959 2.383 -21.131 1.00 44.88 C +ATOM 46 SD MET A 549 -9.650 2.144 -20.488 1.00 45.40 S +ATOM 47 CE MET A 549 -9.970 3.745 -19.758 1.00 44.94 C +ATOM 48 N LEU A 550 -4.586 4.224 -18.710 1.00 43.62 N +ATOM 49 CA LEU A 550 -4.085 5.353 -17.922 1.00 43.48 C +ATOM 50 C LEU A 550 -2.807 5.946 -18.507 1.00 43.56 C +ATOM 51 O LEU A 550 -2.598 7.159 -18.443 1.00 43.33 O +ATOM 52 CB LEU A 550 -3.846 4.923 -16.475 1.00 43.67 C +ATOM 53 CG LEU A 550 -5.106 4.620 -15.668 1.00 43.53 C +ATOM 54 CD1 LEU A 550 -4.777 3.760 -14.486 1.00 45.84 C +ATOM 55 CD2 LEU A 550 -5.758 5.929 -15.223 1.00 43.05 C +ATOM 56 N ALA A 551 -1.957 5.088 -19.067 1.00 43.30 N +ATOM 57 CA ALA A 551 -0.708 5.527 -19.668 1.00 43.43 C +ATOM 58 C ALA A 551 -0.936 6.475 -20.850 1.00 43.48 C +ATOM 59 O ALA A 551 -0.069 7.292 -21.169 1.00 43.80 O +ATOM 60 CB ALA A 551 0.141 4.329 -20.093 1.00 43.32 C +ATOM 61 N SER A 552 -2.108 6.378 -21.480 1.00 43.00 N +ATOM 62 CA SER A 552 -2.442 7.244 -22.620 1.00 42.35 C +ATOM 63 C SER A 552 -2.769 8.686 -22.214 1.00 41.62 C +ATOM 64 O SER A 552 -2.982 9.543 -23.082 1.00 41.68 O +ATOM 65 CB SER A 552 -3.612 6.660 -23.422 1.00 42.39 C +ATOM 66 OG SER A 552 -3.298 5.376 -23.916 1.00 42.42 O +ATOM 67 N ALA A 553 -2.802 8.955 -20.908 1.00 40.62 N +ATOM 68 CA ALA A 553 -3.332 10.221 -20.427 1.00 39.25 C +ATOM 69 C ALA A 553 -2.359 11.054 -19.600 1.00 38.54 C +ATOM 70 O ALA A 553 -1.515 10.501 -18.883 1.00 39.51 O +ATOM 71 CB ALA A 553 -4.626 9.971 -19.647 1.00 39.21 C +ATOM 72 N PRO A 554 -2.470 12.398 -19.693 1.00 37.04 N +ATOM 73 CA PRO A 554 -1.809 13.304 -18.752 1.00 36.55 C +ATOM 74 C PRO A 554 -2.107 12.929 -17.286 1.00 35.69 C +ATOM 75 O PRO A 554 -3.219 12.490 -16.973 1.00 36.09 O +ATOM 76 CB PRO A 554 -2.458 14.651 -19.060 1.00 36.84 C +ATOM 77 CG PRO A 554 -2.811 14.571 -20.471 1.00 36.85 C +ATOM 78 CD PRO A 554 -3.211 13.146 -20.724 1.00 36.91 C +ATOM 79 N PRO A 555 -1.122 13.101 -16.396 1.00 34.68 N +ATOM 80 CA PRO A 555 -1.292 12.866 -14.955 1.00 32.64 C +ATOM 81 C PRO A 555 -2.601 13.397 -14.334 1.00 31.55 C +ATOM 82 O PRO A 555 -3.239 12.693 -13.538 1.00 32.21 O +ATOM 83 CB PRO A 555 -0.063 13.561 -14.328 1.00 33.01 C +ATOM 84 CG PRO A 555 0.773 14.043 -15.454 1.00 34.53 C +ATOM 85 CD PRO A 555 0.263 13.489 -16.734 1.00 34.00 C +ATOM 86 N GLN A 556 -3.007 14.622 -14.657 1.00 27.41 N +ATOM 87 CA GLN A 556 -4.219 15.138 -14.026 1.00 24.82 C +ATOM 88 C GLN A 556 -5.448 14.366 -14.524 1.00 21.44 C +ATOM 89 O GLN A 556 -6.390 14.100 -13.759 1.00 20.56 O +ATOM 90 CB GLN A 556 -4.384 16.637 -14.237 1.00 25.57 C +ATOM 91 CG GLN A 556 -5.085 17.326 -13.062 1.00 28.61 C +ATOM 92 CD GLN A 556 -4.145 17.667 -11.907 1.00 30.84 C +ATOM 93 OE1 GLN A 556 -3.687 18.807 -11.784 1.00 33.29 O +ATOM 94 NE2 GLN A 556 -3.867 16.687 -11.047 1.00 31.20 N +ATOM 95 N GLU A 557 -5.417 13.969 -15.791 1.00 18.33 N +ATOM 96 CA GLU A 557 -6.553 13.218 -16.362 1.00 15.91 C +ATOM 97 C GLU A 557 -6.576 11.816 -15.765 1.00 16.36 C +ATOM 98 O GLU A 557 -7.645 11.259 -15.507 1.00 15.34 O +ATOM 99 CB GLU A 557 -6.451 13.135 -17.881 1.00 16.69 C +ATOM 100 CG GLU A 557 -6.933 14.392 -18.592 1.00 17.28 C +ATOM 101 CD GLU A 557 -6.881 14.250 -20.097 1.00 21.15 C +ATOM 102 OE1 GLU A 557 -6.480 13.163 -20.563 1.00 25.03 O +ATOM 103 OE2 GLU A 557 -7.185 15.225 -20.826 1.00 20.68 O +ATOM 104 N GLN A 558 -5.391 11.245 -15.551 1.00 15.78 N +ATOM 105 CA GLN A 558 -5.328 9.931 -14.907 1.00 16.38 C +ATOM 106 C GLN A 558 -6.024 9.934 -13.538 1.00 16.75 C +ATOM 107 O GLN A 558 -6.753 8.969 -13.214 1.00 16.76 O +ATOM 108 CB GLN A 558 -3.889 9.448 -14.752 1.00 17.00 C +ATOM 109 CG GLN A 558 -3.144 9.259 -16.030 1.00 16.42 C +ATOM 110 CD GLN A 558 -1.802 8.588 -15.804 1.00 19.33 C +ATOM 111 OE1 GLN A 558 -1.568 7.970 -14.759 1.00 21.10 O +ATOM 112 NE2 GLN A 558 -0.907 8.724 -16.772 1.00 21.65 N +ATOM 113 N LYS A 559 -5.820 10.999 -12.742 1.00 16.78 N +ATOM 114 CA LYS A 559 -6.502 11.114 -11.427 1.00 17.56 C +ATOM 115 C LYS A 559 -8.017 11.108 -11.616 1.00 17.01 C +ATOM 116 O LYS A 559 -8.743 10.429 -10.883 1.00 17.71 O +ATOM 117 CB LYS A 559 -6.101 12.391 -10.681 1.00 16.61 C +ATOM 118 CG LYS A 559 -4.673 12.424 -10.246 1.00 19.01 C +ATOM 119 CD LYS A 559 -4.491 11.505 -9.076 1.00 16.03 C +ATOM 120 CE LYS A 559 -3.110 11.706 -8.513 1.00 14.25 C +ATOM 121 NZ LYS A 559 -2.729 10.620 -7.640 1.00 15.05 N +ATOM 122 N GLN A 560 -8.490 11.863 -12.599 1.00 15.77 N +ATOM 123 CA GLN A 560 -9.919 11.963 -12.847 1.00 15.85 C +ATOM 124 C GLN A 560 -10.456 10.592 -13.265 1.00 15.77 C +ATOM 125 O GLN A 560 -11.538 10.184 -12.829 1.00 16.26 O +ATOM 126 CB GLN A 560 -10.240 13.023 -13.904 1.00 15.55 C +ATOM 127 CG GLN A 560 -11.762 13.286 -14.123 1.00 16.71 C +ATOM 128 CD GLN A 560 -12.508 13.903 -12.927 1.00 17.46 C +ATOM 129 OE1 GLN A 560 -11.944 14.674 -12.130 1.00 18.58 O +ATOM 130 NE2 GLN A 560 -13.812 13.605 -12.834 1.00 17.44 N +ATOM 131 N MET A 561 -9.713 9.898 -14.126 1.00 16.03 N +ATOM 132 CA MET A 561 -10.123 8.591 -14.620 1.00 16.26 C +ATOM 133 C MET A 561 -10.222 7.597 -13.471 1.00 16.96 C +ATOM 134 O MET A 561 -11.159 6.822 -13.400 1.00 17.21 O +ATOM 135 CB MET A 561 -9.121 8.075 -15.654 1.00 16.32 C +ATOM 136 CG MET A 561 -9.197 8.896 -16.972 1.00 17.40 C +ATOM 137 SD MET A 561 -7.834 8.526 -18.095 1.00 22.15 S +ATOM 138 CE MET A 561 -8.005 6.793 -18.140 1.00 18.77 C +ATOM 139 N LEU A 562 -9.217 7.620 -12.602 1.00 15.64 N +ATOM 140 CA LEU A 562 -9.211 6.754 -11.411 1.00 15.46 C +ATOM 141 C LEU A 562 -10.387 7.094 -10.503 1.00 15.84 C +ATOM 142 O LEU A 562 -11.112 6.175 -10.020 1.00 16.34 O +ATOM 143 CB LEU A 562 -7.878 6.875 -10.667 1.00 14.95 C +ATOM 144 CG LEU A 562 -6.806 6.148 -11.445 1.00 15.80 C +ATOM 145 CD1 LEU A 562 -5.417 6.583 -10.935 1.00 18.19 C +ATOM 146 CD2 LEU A 562 -7.050 4.669 -11.193 1.00 15.18 C +ATOM 147 N GLY A 563 -10.622 8.391 -10.295 1.00 15.45 N +ATOM 148 CA GLY A 563 -11.735 8.823 -9.425 1.00 16.02 C +ATOM 149 C GLY A 563 -13.080 8.365 -9.969 1.00 15.36 C +ATOM 150 O GLY A 563 -13.972 7.983 -9.182 1.00 15.61 O +ATOM 151 N GLU A 564 -13.254 8.401 -11.301 1.00 15.50 N +ATOM 152 CA GLU A 564 -14.512 7.960 -11.912 1.00 16.21 C +ATOM 153 C GLU A 564 -14.852 6.519 -11.574 1.00 16.02 C +ATOM 154 O GLU A 564 -16.032 6.200 -11.407 1.00 16.71 O +ATOM 155 CB GLU A 564 -14.507 8.146 -13.445 1.00 16.90 C +ATOM 156 CG GLU A 564 -14.349 9.575 -13.896 1.00 22.00 C +ATOM 157 CD GLU A 564 -15.568 10.476 -13.668 1.00 25.23 C +ATOM 158 OE1 GLU A 564 -16.561 10.091 -12.987 1.00 28.33 O +ATOM 159 OE2 GLU A 564 -15.516 11.611 -14.193 1.00 25.01 O +ATOM 160 N ARG A 565 -13.831 5.662 -11.472 1.00 15.95 N +ATOM 161 CA ARG A 565 -14.062 4.252 -11.174 1.00 15.93 C +ATOM 162 C ARG A 565 -14.228 4.028 -9.678 1.00 14.41 C +ATOM 163 O ARG A 565 -15.007 3.178 -9.238 1.00 13.80 O +ATOM 164 CB ARG A 565 -12.924 3.368 -11.713 1.00 16.43 C +ATOM 165 CG ARG A 565 -12.634 3.564 -13.201 1.00 18.31 C +ATOM 166 CD ARG A 565 -13.890 3.392 -14.064 1.00 22.94 C +ATOM 167 NE ARG A 565 -13.536 3.310 -15.488 1.00 25.77 N +ATOM 168 CZ ARG A 565 -13.608 2.206 -16.228 1.00 27.59 C +ATOM 169 NH1 ARG A 565 -14.041 1.059 -15.704 1.00 27.55 N +ATOM 170 NH2 ARG A 565 -13.263 2.250 -17.507 1.00 28.34 N +ATOM 171 N LEU A 566 -13.474 4.782 -8.898 1.00 15.71 N +ATOM 172 CA LEU A 566 -13.550 4.664 -7.446 1.00 16.42 C +ATOM 173 C LEU A 566 -14.842 5.227 -6.827 1.00 16.93 C +ATOM 174 O LEU A 566 -15.366 4.695 -5.846 1.00 16.24 O +ATOM 175 CB LEU A 566 -12.355 5.343 -6.794 1.00 17.99 C +ATOM 176 CG LEU A 566 -11.032 4.597 -6.943 1.00 20.67 C +ATOM 177 CD1 LEU A 566 -9.892 5.536 -6.687 1.00 21.92 C +ATOM 178 CD2 LEU A 566 -10.985 3.372 -5.998 1.00 22.01 C +ATOM 179 N PHE A 567 -15.339 6.312 -7.411 1.00 16.37 N +ATOM 180 CA PHE A 567 -16.424 7.049 -6.798 1.00 16.55 C +ATOM 181 C PHE A 567 -17.674 6.197 -6.520 1.00 16.49 C +ATOM 182 O PHE A 567 -18.182 6.231 -5.405 1.00 16.97 O +ATOM 183 CB PHE A 567 -16.789 8.282 -7.641 1.00 16.89 C +ATOM 184 CG PHE A 567 -17.910 9.061 -7.052 1.00 15.07 C +ATOM 185 CD1 PHE A 567 -17.663 9.986 -6.048 1.00 17.71 C +ATOM 186 CD2 PHE A 567 -19.210 8.823 -7.464 1.00 17.26 C +ATOM 187 CE1 PHE A 567 -18.721 10.714 -5.447 1.00 18.62 C +ATOM 188 CE2 PHE A 567 -20.276 9.516 -6.891 1.00 16.89 C +ATOM 189 CZ PHE A 567 -20.022 10.466 -5.864 1.00 18.06 C +ATOM 190 N PRO A 568 -18.190 5.457 -7.534 1.00 17.18 N +ATOM 191 CA PRO A 568 -19.400 4.653 -7.249 1.00 16.55 C +ATOM 192 C PRO A 568 -19.219 3.664 -6.082 1.00 16.35 C +ATOM 193 O PRO A 568 -20.183 3.394 -5.336 1.00 16.05 O +ATOM 194 CB PRO A 568 -19.669 3.886 -8.549 1.00 17.54 C +ATOM 195 CG PRO A 568 -18.628 4.289 -9.519 1.00 18.36 C +ATOM 196 CD PRO A 568 -17.726 5.325 -8.921 1.00 17.62 C +ATOM 197 N LEU A 569 -18.007 3.137 -5.953 1.00 14.48 N +ATOM 198 CA LEU A 569 -17.688 2.187 -4.895 1.00 14.69 C +ATOM 199 C LEU A 569 -17.665 2.894 -3.558 1.00 14.65 C +ATOM 200 O LEU A 569 -18.224 2.419 -2.577 1.00 15.98 O +ATOM 201 CB LEU A 569 -16.360 1.455 -5.151 1.00 14.32 C +ATOM 202 CG LEU A 569 -16.255 0.719 -6.510 1.00 15.96 C +ATOM 203 CD1 LEU A 569 -14.830 0.118 -6.684 1.00 16.49 C +ATOM 204 CD2 LEU A 569 -17.384 -0.307 -6.717 1.00 16.69 C +ATOM 205 N ILE A 570 -16.994 4.038 -3.513 1.00 15.09 N +ATOM 206 CA ILE A 570 -16.948 4.830 -2.281 1.00 15.22 C +ATOM 207 C ILE A 570 -18.344 5.343 -1.899 1.00 14.88 C +ATOM 208 O ILE A 570 -18.717 5.301 -0.725 1.00 15.68 O +ATOM 209 CB ILE A 570 -15.887 5.920 -2.411 1.00 14.79 C +ATOM 210 CG1 ILE A 570 -14.524 5.234 -2.568 1.00 14.42 C +ATOM 211 CG2 ILE A 570 -15.918 6.862 -1.199 1.00 17.48 C +ATOM 212 CD1 ILE A 570 -13.429 6.185 -2.970 1.00 17.43 C +ATOM 213 N GLN A 571 -19.109 5.821 -2.864 1.00 15.12 N +ATOM 214 CA GLN A 571 -20.472 6.296 -2.586 1.00 15.43 C +ATOM 215 C GLN A 571 -21.345 5.187 -2.038 1.00 16.37 C +ATOM 216 O GLN A 571 -22.229 5.445 -1.227 1.00 16.17 O +ATOM 217 CB GLN A 571 -21.106 6.832 -3.854 1.00 14.94 C +ATOM 218 CG GLN A 571 -22.506 7.452 -3.643 1.00 17.63 C +ATOM 219 CD GLN A 571 -23.102 7.994 -4.936 1.00 17.37 C +ATOM 220 OE1 GLN A 571 -23.401 9.169 -5.002 1.00 18.38 O +ATOM 221 NE2 GLN A 571 -23.267 7.138 -5.955 1.00 19.55 N +ATOM 222 N ALA A 572 -21.132 3.951 -2.510 1.00 15.95 N +ATOM 223 CA ALA A 572 -21.910 2.801 -1.967 1.00 16.98 C +ATOM 224 C ALA A 572 -21.669 2.619 -0.456 1.00 16.95 C +ATOM 225 O ALA A 572 -22.579 2.302 0.303 1.00 16.60 O +ATOM 226 CB ALA A 572 -21.571 1.536 -2.712 1.00 16.58 C +ATOM 227 N MET A 573 -20.418 2.806 -0.039 1.00 18.05 N +ATOM 228 CA MET A 573 -19.987 2.657 1.335 1.00 20.15 C +ATOM 229 C MET A 573 -20.430 3.838 2.200 1.00 19.26 C +ATOM 230 O MET A 573 -20.815 3.668 3.358 1.00 19.26 O +ATOM 231 CB MET A 573 -18.453 2.487 1.340 1.00 20.44 C +ATOM 232 CG MET A 573 -17.971 1.449 0.267 1.00 22.53 C +ATOM 233 SD MET A 573 -16.175 1.399 -0.125 1.00 28.55 S +ATOM 234 CE MET A 573 -15.730 1.258 1.541 1.00 24.27 C +ATOM 235 N HIS A 574 -20.343 5.041 1.635 1.00 18.63 N +ATOM 236 CA HIS A 574 -20.614 6.286 2.368 1.00 19.52 C +ATOM 237 C HIS A 574 -21.193 7.347 1.447 1.00 19.77 C +ATOM 238 O HIS A 574 -20.431 8.197 0.945 1.00 19.51 O +ATOM 239 CB HIS A 574 -19.287 6.829 2.895 1.00 19.27 C +ATOM 240 CG HIS A 574 -18.685 6.003 3.969 1.00 22.57 C +ATOM 241 ND1 HIS A 574 -19.154 6.028 5.261 1.00 23.42 N +ATOM 242 CD2 HIS A 574 -17.654 5.127 3.951 1.00 22.09 C +ATOM 243 CE1 HIS A 574 -18.446 5.189 5.995 1.00 24.81 C +ATOM 244 NE2 HIS A 574 -17.535 4.626 5.222 1.00 23.57 N +ATOM 245 N PRO A 575 -22.516 7.300 1.186 1.00 18.95 N +ATOM 246 CA PRO A 575 -23.110 8.197 0.203 1.00 19.66 C +ATOM 247 C PRO A 575 -22.885 9.686 0.520 1.00 20.49 C +ATOM 248 O PRO A 575 -22.677 10.473 -0.397 1.00 21.42 O +ATOM 249 CB PRO A 575 -24.603 7.839 0.259 1.00 19.85 C +ATOM 250 CG PRO A 575 -24.626 6.410 0.741 1.00 19.44 C +ATOM 251 CD PRO A 575 -23.520 6.383 1.764 1.00 19.95 C +ATOM 252 N THR A 576 -22.906 10.066 1.794 1.00 20.93 N +ATOM 253 CA THR A 576 -22.783 11.495 2.164 1.00 21.84 C +ATOM 254 C THR A 576 -21.378 12.043 1.938 1.00 22.40 C +ATOM 255 O THR A 576 -21.192 13.153 1.426 1.00 23.21 O +ATOM 256 CB THR A 576 -23.135 11.710 3.648 1.00 22.43 C +ATOM 257 OG1 THR A 576 -24.462 11.242 3.885 1.00 23.35 O +ATOM 258 CG2 THR A 576 -23.023 13.185 4.053 1.00 23.82 C +ATOM 259 N LEU A 577 -20.391 11.275 2.362 1.00 21.38 N +ATOM 260 CA LEU A 577 -19.040 11.765 2.376 1.00 21.87 C +ATOM 261 C LEU A 577 -18.318 11.482 1.059 1.00 21.20 C +ATOM 262 O LEU A 577 -17.159 11.839 0.924 1.00 20.52 O +ATOM 263 CB LEU A 577 -18.297 11.135 3.565 1.00 21.72 C +ATOM 264 CG LEU A 577 -18.780 11.428 5.004 1.00 24.05 C +ATOM 265 CD1 LEU A 577 -17.806 10.809 6.008 1.00 25.82 C +ATOM 266 CD2 LEU A 577 -18.916 12.924 5.254 1.00 24.82 C +ATOM 267 N ALA A 578 -19.006 10.864 0.087 1.00 20.73 N +ATOM 268 CA ALA A 578 -18.320 10.261 -1.064 1.00 19.47 C +ATOM 269 C ALA A 578 -17.380 11.183 -1.857 1.00 18.42 C +ATOM 270 O ALA A 578 -16.270 10.797 -2.144 1.00 18.35 O +ATOM 271 CB ALA A 578 -19.324 9.562 -2.013 1.00 20.49 C +ATOM 272 N GLY A 579 -17.831 12.381 -2.197 1.00 17.90 N +ATOM 273 CA GLY A 579 -16.983 13.306 -2.948 1.00 17.72 C +ATOM 274 C GLY A 579 -15.712 13.655 -2.181 1.00 15.84 C +ATOM 275 O GLY A 579 -14.614 13.670 -2.740 1.00 17.94 O +ATOM 276 N LYS A 580 -15.857 13.887 -0.886 1.00 15.98 N +ATOM 277 CA LYS A 580 -14.723 14.272 -0.076 1.00 16.27 C +ATOM 278 C LYS A 580 -13.777 13.117 0.151 1.00 16.09 C +ATOM 279 O LYS A 580 -12.572 13.263 0.047 1.00 15.55 O +ATOM 280 CB LYS A 580 -15.202 14.862 1.261 1.00 16.20 C +ATOM 281 CG LYS A 580 -14.037 15.296 2.167 1.00 19.43 C +ATOM 282 CD LYS A 580 -13.180 16.398 1.492 1.00 23.58 C +ATOM 283 CE LYS A 580 -13.038 17.618 2.405 1.00 23.18 C +ATOM 284 NZ LYS A 580 -11.985 18.568 1.977 1.00 20.26 N +ATOM 285 N ILE A 581 -14.345 11.952 0.441 1.00 15.58 N +ATOM 286 CA ILE A 581 -13.513 10.772 0.610 1.00 16.63 C +ATOM 287 C ILE A 581 -12.736 10.464 -0.657 1.00 16.70 C +ATOM 288 O ILE A 581 -11.539 10.167 -0.580 1.00 16.54 O +ATOM 289 CB ILE A 581 -14.328 9.541 1.064 1.00 17.97 C +ATOM 290 CG1 ILE A 581 -14.987 9.820 2.403 1.00 17.22 C +ATOM 291 CG2 ILE A 581 -13.429 8.290 1.106 1.00 18.02 C +ATOM 292 CD1 ILE A 581 -16.089 8.795 2.681 1.00 23.08 C +ATOM 293 N THR A 582 -13.419 10.489 -1.819 1.00 16.05 N +ATOM 294 CA THR A 582 -12.727 10.221 -3.079 1.00 17.02 C +ATOM 295 C THR A 582 -11.551 11.199 -3.290 1.00 16.80 C +ATOM 296 O THR A 582 -10.426 10.796 -3.627 1.00 16.35 O +ATOM 297 CB THR A 582 -13.714 10.213 -4.258 1.00 17.09 C +ATOM 298 OG1 THR A 582 -14.760 9.286 -3.987 1.00 15.59 O +ATOM 299 CG2 THR A 582 -12.996 9.846 -5.574 1.00 18.76 C +ATOM 300 N GLY A 583 -11.819 12.481 -3.061 1.00 15.67 N +ATOM 301 CA GLY A 583 -10.799 13.531 -3.151 1.00 17.05 C +ATOM 302 C GLY A 583 -9.587 13.236 -2.289 1.00 16.93 C +ATOM 303 O GLY A 583 -8.412 13.415 -2.706 1.00 17.83 O +ATOM 304 N MET A 584 -9.855 12.795 -1.062 1.00 16.28 N +ATOM 305 CA MET A 584 -8.772 12.417 -0.142 1.00 16.75 C +ATOM 306 C MET A 584 -7.938 11.273 -0.680 1.00 16.67 C +ATOM 307 O MET A 584 -6.697 11.356 -0.668 1.00 17.65 O +ATOM 308 CB MET A 584 -9.336 12.070 1.251 1.00 15.93 C +ATOM 309 CG MET A 584 -9.913 13.304 2.002 1.00 15.15 C +ATOM 310 SD MET A 584 -10.750 12.822 3.525 1.00 16.69 S +ATOM 311 CE MET A 584 -9.332 12.161 4.423 1.00 15.29 C +ATOM 312 N LEU A 585 -8.597 10.245 -1.220 1.00 16.33 N +ATOM 313 CA ALEU A 585 -7.884 9.058 -1.708 0.50 16.78 C +ATOM 314 CA BLEU A 585 -7.868 9.070 -1.694 0.50 16.94 C +ATOM 315 C LEU A 585 -7.084 9.381 -2.959 1.00 17.41 C +ATOM 316 O LEU A 585 -6.040 8.776 -3.209 1.00 17.17 O +ATOM 317 CB ALEU A 585 -8.845 7.887 -1.964 0.50 16.93 C +ATOM 318 CB BLEU A 585 -8.806 7.877 -1.890 0.50 17.29 C +ATOM 319 CG ALEU A 585 -9.043 6.890 -0.810 0.50 17.34 C +ATOM 320 CG BLEU A 585 -9.502 7.415 -0.602 0.50 18.15 C +ATOM 321 CD1ALEU A 585 -9.770 7.520 0.361 0.50 18.48 C +ATOM 322 CD1BLEU A 585 -10.297 6.133 -0.851 0.50 21.15 C +ATOM 323 CD2ALEU A 585 -9.806 5.650 -1.291 0.50 17.31 C +ATOM 324 CD2BLEU A 585 -8.530 7.224 0.554 0.50 19.20 C +ATOM 325 N LEU A 586 -7.583 10.337 -3.746 1.00 16.46 N +ATOM 326 CA LEU A 586 -6.882 10.714 -4.987 1.00 18.13 C +ATOM 327 C LEU A 586 -5.486 11.332 -4.772 1.00 19.27 C +ATOM 328 O LEU A 586 -4.717 11.430 -5.719 1.00 20.47 O +ATOM 329 CB LEU A 586 -7.777 11.548 -5.922 1.00 17.99 C +ATOM 330 CG LEU A 586 -8.904 10.792 -6.646 1.00 18.74 C +ATOM 331 CD1 LEU A 586 -9.681 11.791 -7.482 1.00 18.41 C +ATOM 332 CD2 LEU A 586 -8.442 9.595 -7.512 1.00 20.93 C +ATOM 333 N GLU A 587 -5.139 11.694 -3.523 1.00 19.26 N +ATOM 334 CA GLU A 587 -3.770 12.122 -3.171 1.00 19.66 C +ATOM 335 C GLU A 587 -2.753 10.972 -3.273 1.00 19.19 C +ATOM 336 O GLU A 587 -1.548 11.205 -3.398 1.00 19.31 O +ATOM 337 CB GLU A 587 -3.704 12.632 -1.729 1.00 19.74 C +ATOM 338 CG GLU A 587 -4.785 13.644 -1.256 1.00 22.30 C +ATOM 339 CD GLU A 587 -4.719 13.869 0.281 1.00 22.75 C +ATOM 340 OE1 GLU A 587 -5.429 13.172 1.047 1.00 23.82 O +ATOM 341 OE2 GLU A 587 -3.936 14.740 0.733 1.00 29.63 O +ATOM 342 N ILE A 588 -3.235 9.743 -3.157 1.00 17.78 N +ATOM 343 CA ILE A 588 -2.394 8.530 -3.203 1.00 18.63 C +ATOM 344 C ILE A 588 -1.828 8.317 -4.608 1.00 18.59 C +ATOM 345 O ILE A 588 -2.468 8.699 -5.589 1.00 18.26 O +ATOM 346 CB ILE A 588 -3.229 7.324 -2.756 1.00 19.00 C +ATOM 347 CG1 ILE A 588 -3.560 7.455 -1.266 1.00 18.99 C +ATOM 348 CG2 ILE A 588 -2.568 5.971 -3.085 1.00 20.67 C +ATOM 349 CD1 ILE A 588 -4.657 6.512 -0.828 1.00 20.57 C +ATOM 350 N ASP A 589 -0.631 7.716 -4.692 1.00 19.70 N +ATOM 351 CA ASP A 589 0.004 7.425 -6.000 1.00 20.79 C +ATOM 352 C ASP A 589 -0.925 6.573 -6.904 1.00 20.53 C +ATOM 353 O ASP A 589 -1.697 5.734 -6.422 1.00 18.78 O +ATOM 354 CB ASP A 589 1.384 6.769 -5.824 1.00 22.31 C +ATOM 355 CG ASP A 589 2.512 7.784 -5.527 1.00 25.99 C +ATOM 356 OD1 ASP A 589 2.248 9.008 -5.400 1.00 31.41 O +ATOM 357 OD2 ASP A 589 3.691 7.357 -5.438 1.00 30.70 O +ATOM 358 N ASN A 590 -0.884 6.825 -8.205 1.00 19.69 N +ATOM 359 CA ASN A 590 -1.796 6.154 -9.136 1.00 19.42 C +ATOM 360 C ASN A 590 -1.678 4.630 -9.162 1.00 18.89 C +ATOM 361 O ASN A 590 -2.684 3.946 -9.332 1.00 17.85 O +ATOM 362 CB ASN A 590 -1.631 6.731 -10.539 1.00 20.07 C +ATOM 363 CG ASN A 590 -2.177 8.145 -10.652 1.00 19.98 C +ATOM 364 OD1 ASN A 590 -2.749 8.679 -9.705 1.00 21.70 O +ATOM 365 ND2 ASN A 590 -1.992 8.761 -11.813 1.00 21.30 N +ATOM 366 N SER A 591 -0.455 4.101 -9.030 1.00 18.07 N +ATOM 367 CA SER A 591 -0.271 2.649 -8.930 1.00 19.16 C +ATOM 368 C SER A 591 -0.980 2.053 -7.726 1.00 19.84 C +ATOM 369 O SER A 591 -1.621 0.996 -7.831 1.00 20.52 O +ATOM 370 CB SER A 591 1.212 2.282 -8.923 1.00 19.91 C +ATOM 371 OG SER A 591 1.723 2.536 -10.202 1.00 23.27 O +ATOM 372 N GLU A 592 -0.908 2.747 -6.593 1.00 19.09 N +ATOM 373 CA GLU A 592 -1.616 2.310 -5.400 1.00 20.64 C +ATOM 374 C GLU A 592 -3.128 2.412 -5.590 1.00 19.79 C +ATOM 375 O GLU A 592 -3.879 1.550 -5.123 1.00 20.80 O +ATOM 376 CB GLU A 592 -1.134 3.103 -4.186 1.00 20.75 C +ATOM 377 CG GLU A 592 -1.646 2.540 -2.873 1.00 26.91 C +ATOM 378 CD GLU A 592 -0.864 3.039 -1.670 1.00 32.65 C +ATOM 379 OE1 GLU A 592 0.099 3.829 -1.848 1.00 35.94 O +ATOM 380 OE2 GLU A 592 -1.216 2.632 -0.539 1.00 35.91 O +ATOM 381 N LEU A 593 -3.582 3.456 -6.281 1.00 18.76 N +ATOM 382 CA LEU A 593 -5.017 3.582 -6.583 1.00 17.95 C +ATOM 383 C LEU A 593 -5.517 2.449 -7.476 1.00 17.54 C +ATOM 384 O LEU A 593 -6.623 1.922 -7.236 1.00 17.79 O +ATOM 385 CB LEU A 593 -5.318 4.935 -7.241 1.00 18.12 C +ATOM 386 CG LEU A 593 -5.194 6.129 -6.288 1.00 19.35 C +ATOM 387 CD1 LEU A 593 -5.352 7.425 -7.040 1.00 19.11 C +ATOM 388 CD2 LEU A 593 -6.180 6.003 -5.106 1.00 23.65 C +ATOM 389 N LEU A 594 -4.719 2.083 -8.490 1.00 17.57 N +ATOM 390 CA LEU A 594 -5.029 0.889 -9.296 1.00 19.20 C +ATOM 391 C LEU A 594 -5.170 -0.372 -8.432 1.00 19.25 C +ATOM 392 O LEU A 594 -6.118 -1.162 -8.614 1.00 20.45 O +ATOM 393 CB LEU A 594 -3.964 0.663 -10.366 1.00 19.52 C +ATOM 394 CG LEU A 594 -4.073 1.441 -11.657 1.00 22.85 C +ATOM 395 CD1 LEU A 594 -2.905 1.036 -12.568 1.00 25.54 C +ATOM 396 CD2 LEU A 594 -5.427 1.139 -12.334 1.00 24.07 C +ATOM 397 N HIS A 595 -4.239 -0.558 -7.487 1.00 18.96 N +ATOM 398 CA HIS A 595 -4.312 -1.694 -6.561 1.00 19.52 C +ATOM 399 C HIS A 595 -5.631 -1.655 -5.763 1.00 19.40 C +ATOM 400 O HIS A 595 -6.298 -2.677 -5.567 1.00 19.82 O +ATOM 401 CB HIS A 595 -3.124 -1.713 -5.596 1.00 19.32 C +ATOM 402 CG HIS A 595 -3.230 -2.769 -4.546 1.00 21.12 C +ATOM 403 ND1 HIS A 595 -3.099 -2.497 -3.203 1.00 22.81 N +ATOM 404 CD2 HIS A 595 -3.456 -4.100 -4.642 1.00 20.34 C +ATOM 405 CE1 HIS A 595 -3.234 -3.616 -2.518 1.00 20.22 C +ATOM 406 NE2 HIS A 595 -3.454 -4.602 -3.366 1.00 20.99 N +ATOM 407 N MET A 596 -6.017 -0.465 -5.333 1.00 19.96 N +ATOM 408 CA MET A 596 -7.243 -0.311 -4.570 1.00 20.98 C +ATOM 409 C MET A 596 -8.461 -0.676 -5.409 1.00 19.43 C +ATOM 410 O MET A 596 -9.414 -1.288 -4.919 1.00 19.35 O +ATOM 411 CB MET A 596 -7.313 1.102 -4.008 1.00 20.34 C +ATOM 412 CG MET A 596 -6.226 1.305 -2.928 1.00 24.32 C +ATOM 413 SD MET A 596 -5.846 3.039 -2.655 1.00 28.55 S +ATOM 414 CE MET A 596 -7.498 3.657 -2.426 1.00 24.47 C +ATOM 415 N LEU A 597 -8.407 -0.349 -6.693 1.00 19.06 N +ATOM 416 CA LEU A 597 -9.508 -0.717 -7.600 1.00 20.19 C +ATOM 417 C LEU A 597 -9.632 -2.230 -7.801 1.00 20.46 C +ATOM 418 O LEU A 597 -10.743 -2.742 -8.036 1.00 21.51 O +ATOM 419 CB LEU A 597 -9.327 -0.015 -8.938 1.00 20.55 C +ATOM 420 CG LEU A 597 -9.895 1.395 -8.957 1.00 23.69 C +ATOM 421 CD1 LEU A 597 -9.427 2.100 -10.226 1.00 27.94 C +ATOM 422 CD2 LEU A 597 -11.433 1.321 -8.918 1.00 25.14 C +ATOM 423 N GLU A 598 -8.500 -2.929 -7.688 1.00 19.20 N +ATOM 424 CA GLU A 598 -8.411 -4.384 -7.856 1.00 20.09 C +ATOM 425 C GLU A 598 -8.683 -5.161 -6.569 1.00 19.74 C +ATOM 426 O GLU A 598 -8.973 -6.362 -6.608 1.00 21.00 O +ATOM 427 CB GLU A 598 -7.012 -4.757 -8.358 1.00 20.27 C +ATOM 428 CG GLU A 598 -6.667 -4.182 -9.699 1.00 22.82 C +ATOM 429 CD GLU A 598 -5.272 -4.573 -10.149 1.00 27.00 C +ATOM 430 OE1 GLU A 598 -4.474 -5.027 -9.293 1.00 28.54 O +ATOM 431 OE2 GLU A 598 -4.973 -4.406 -11.350 1.00 28.98 O +ATOM 432 N SER A 599 -8.574 -4.504 -5.426 1.00 17.94 N +ATOM 433 CA SER A 599 -8.645 -5.182 -4.148 1.00 17.43 C +ATOM 434 C SER A 599 -9.695 -4.541 -3.231 1.00 17.01 C +ATOM 435 O SER A 599 -9.394 -3.565 -2.511 1.00 16.19 O +ATOM 436 CB SER A 599 -7.279 -5.236 -3.468 1.00 18.71 C +ATOM 437 OG SER A 599 -7.395 -5.724 -2.137 1.00 19.64 O +ATOM 438 N PRO A 600 -10.932 -5.059 -3.274 1.00 15.53 N +ATOM 439 CA PRO A 600 -12.000 -4.528 -2.384 1.00 15.23 C +ATOM 440 C PRO A 600 -11.595 -4.414 -0.910 1.00 15.47 C +ATOM 441 O PRO A 600 -11.942 -3.430 -0.262 1.00 15.21 O +ATOM 442 CB PRO A 600 -13.136 -5.547 -2.556 1.00 15.29 C +ATOM 443 CG PRO A 600 -12.930 -6.096 -3.932 1.00 15.78 C +ATOM 444 CD PRO A 600 -11.447 -6.079 -4.209 1.00 16.18 C +ATOM 445 N GLU A 601 -10.866 -5.401 -0.382 1.00 14.72 N +ATOM 446 CA GLU A 601 -10.381 -5.298 1.017 1.00 15.83 C +ATOM 447 C GLU A 601 -9.465 -4.082 1.222 1.00 15.79 C +ATOM 448 O GLU A 601 -9.562 -3.396 2.245 1.00 16.62 O +ATOM 449 CB GLU A 601 -9.660 -6.588 1.436 1.00 16.83 C +ATOM 450 CG GLU A 601 -10.604 -7.735 1.659 1.00 20.93 C +ATOM 451 CD GLU A 601 -11.462 -7.556 2.895 1.00 25.33 C +ATOM 452 OE1 GLU A 601 -12.403 -8.361 3.072 1.00 30.03 O +ATOM 453 OE2 GLU A 601 -11.184 -6.649 3.704 1.00 28.55 O +ATOM 454 N SER A 602 -8.583 -3.826 0.249 1.00 16.15 N +ATOM 455 CA ASER A 602 -7.640 -2.708 0.349 0.50 16.03 C +ATOM 456 CA BSER A 602 -7.635 -2.705 0.318 0.50 16.12 C +ATOM 457 C SER A 602 -8.391 -1.392 0.276 1.00 16.58 C +ATOM 458 O SER A 602 -8.142 -0.454 1.072 1.00 16.87 O +ATOM 459 CB ASER A 602 -6.586 -2.800 -0.758 0.50 16.31 C +ATOM 460 CB BSER A 602 -6.655 -2.775 -0.859 0.50 16.28 C +ATOM 461 OG ASER A 602 -5.690 -3.869 -0.503 0.50 13.94 O +ATOM 462 OG BSER A 602 -5.737 -1.697 -0.826 0.50 14.77 O +ATOM 463 N LEU A 603 -9.333 -1.332 -0.642 1.00 15.26 N +ATOM 464 CA LEU A 603 -10.111 -0.098 -0.783 1.00 15.05 C +ATOM 465 C LEU A 603 -10.890 0.159 0.486 1.00 15.80 C +ATOM 466 O LEU A 603 -10.929 1.290 0.959 1.00 15.35 O +ATOM 467 CB LEU A 603 -11.027 -0.174 -1.997 1.00 13.99 C +ATOM 468 CG LEU A 603 -11.964 1.049 -2.135 1.00 15.23 C +ATOM 469 CD1 LEU A 603 -11.122 2.322 -2.322 1.00 13.49 C +ATOM 470 CD2 LEU A 603 -12.921 0.865 -3.287 1.00 14.48 C +ATOM 471 N ARG A 604 -11.501 -0.885 1.056 1.00 15.92 N +ATOM 472 CA ARG A 604 -12.350 -0.694 2.227 1.00 17.77 C +ATOM 473 C ARG A 604 -11.496 -0.200 3.411 1.00 18.14 C +ATOM 474 O ARG A 604 -11.892 0.736 4.117 1.00 18.80 O +ATOM 475 CB ARG A 604 -13.102 -1.980 2.535 1.00 17.71 C +ATOM 476 CG ARG A 604 -13.975 -1.914 3.734 1.00 20.85 C +ATOM 477 CD ARG A 604 -13.994 -3.295 4.273 1.00 24.14 C +ATOM 478 NE ARG A 604 -15.324 -3.646 4.695 1.00 30.39 N +ATOM 479 CZ ARG A 604 -15.642 -4.834 5.180 1.00 25.93 C +ATOM 480 NH1 ARG A 604 -14.704 -5.759 5.326 1.00 29.67 N +ATOM 481 NH2 ARG A 604 -16.886 -5.073 5.534 1.00 29.08 N +ATOM 482 N SER A 605 -10.310 -0.768 3.594 1.00 17.59 N +ATOM 483 CA SER A 605 -9.423 -0.318 4.693 1.00 18.88 C +ATOM 484 C SER A 605 -9.065 1.170 4.508 1.00 18.84 C +ATOM 485 O SER A 605 -9.136 1.948 5.469 1.00 19.41 O +ATOM 486 CB SER A 605 -8.188 -1.219 4.880 1.00 20.81 C +ATOM 487 OG SER A 605 -7.273 -1.093 3.799 1.00 26.44 O +ATOM 488 N LYS A 606 -8.736 1.573 3.283 1.00 17.19 N +ATOM 489 CA LYS A 606 -8.365 2.963 3.011 1.00 17.70 C +ATOM 490 C LYS A 606 -9.535 3.915 3.199 1.00 17.08 C +ATOM 491 O LYS A 606 -9.377 5.054 3.667 1.00 15.89 O +ATOM 492 CB LYS A 606 -7.824 3.100 1.596 1.00 19.05 C +ATOM 493 CG LYS A 606 -6.892 4.287 1.417 1.00 23.36 C +ATOM 494 CD LYS A 606 -5.840 4.425 2.533 1.00 27.60 C +ATOM 495 CE LYS A 606 -4.781 3.339 2.479 1.00 29.55 C +ATOM 496 NZ LYS A 606 -3.643 3.631 3.435 1.00 32.32 N +ATOM 497 N VAL A 607 -10.713 3.462 2.799 1.00 16.39 N +ATOM 498 CA VAL A 607 -11.896 4.308 2.972 1.00 17.22 C +ATOM 499 C VAL A 607 -12.217 4.471 4.471 1.00 17.90 C +ATOM 500 O VAL A 607 -12.561 5.572 4.922 1.00 17.45 O +ATOM 501 CB VAL A 607 -13.092 3.757 2.235 1.00 17.18 C +ATOM 502 CG1 VAL A 607 -14.373 4.531 2.625 1.00 15.44 C +ATOM 503 CG2 VAL A 607 -12.880 3.864 0.721 1.00 16.28 C +ATOM 504 N ASP A 608 -12.088 3.379 5.221 1.00 18.20 N +ATOM 505 CA ASP A 608 -12.255 3.413 6.685 1.00 19.41 C +ATOM 506 C ASP A 608 -11.291 4.429 7.300 1.00 19.62 C +ATOM 507 O ASP A 608 -11.685 5.219 8.168 1.00 18.90 O +ATOM 508 CB ASP A 608 -12.000 2.037 7.289 1.00 19.96 C +ATOM 509 CG ASP A 608 -13.105 1.016 6.980 1.00 23.26 C +ATOM 510 OD1 ASP A 608 -14.209 1.386 6.517 1.00 25.29 O +ATOM 511 OD2 ASP A 608 -12.873 -0.190 7.238 1.00 26.04 O +ATOM 512 N GLU A 609 -10.036 4.403 6.851 1.00 19.15 N +ATOM 513 CA GLU A 609 -9.033 5.365 7.328 1.00 19.53 C +ATOM 514 C GLU A 609 -9.436 6.805 7.005 1.00 18.79 C +ATOM 515 O GLU A 609 -9.352 7.718 7.868 1.00 18.27 O +ATOM 516 CB GLU A 609 -7.677 5.089 6.692 1.00 20.35 C +ATOM 517 CG GLU A 609 -6.976 3.860 7.235 1.00 24.98 C +ATOM 518 CD GLU A 609 -5.679 3.566 6.513 1.00 31.37 C +ATOM 519 OE1 GLU A 609 -5.166 2.436 6.663 1.00 34.63 O +ATOM 520 OE2 GLU A 609 -5.168 4.461 5.804 1.00 34.13 O +ATOM 521 N ALA A 610 -9.872 7.024 5.768 1.00 17.30 N +ATOM 522 CA ALA A 610 -10.256 8.357 5.317 1.00 16.12 C +ATOM 523 C ALA A 610 -11.460 8.898 6.095 1.00 15.84 C +ATOM 524 O ALA A 610 -11.465 10.063 6.487 1.00 15.67 O +ATOM 525 CB ALA A 610 -10.549 8.336 3.810 1.00 16.13 C +ATOM 526 N VAL A 611 -12.466 8.067 6.313 1.00 15.81 N +ATOM 527 CA VAL A 611 -13.663 8.493 7.070 1.00 16.14 C +ATOM 528 C VAL A 611 -13.287 8.855 8.514 1.00 16.60 C +ATOM 529 O VAL A 611 -13.734 9.876 9.063 1.00 15.91 O +ATOM 530 CB VAL A 611 -14.773 7.427 6.985 1.00 16.31 C +ATOM 531 CG1 VAL A 611 -15.941 7.762 7.955 1.00 15.72 C +ATOM 532 CG2 VAL A 611 -15.288 7.355 5.557 1.00 15.47 C +ATOM 533 N ALA A 612 -12.430 8.043 9.112 1.00 16.12 N +ATOM 534 CA ALA A 612 -11.991 8.285 10.493 1.00 16.62 C +ATOM 535 C ALA A 612 -11.202 9.597 10.584 1.00 17.41 C +ATOM 536 O ALA A 612 -11.397 10.375 11.508 1.00 16.89 O +ATOM 537 CB ALA A 612 -11.158 7.116 10.983 1.00 17.37 C +ATOM 538 N VAL A 613 -10.326 9.838 9.615 1.00 16.73 N +ATOM 539 CA VAL A 613 -9.563 11.124 9.561 1.00 17.67 C +ATOM 540 C VAL A 613 -10.500 12.334 9.350 1.00 17.71 C +ATOM 541 O VAL A 613 -10.430 13.353 10.059 1.00 16.78 O +ATOM 542 CB VAL A 613 -8.470 11.042 8.469 1.00 17.93 C +ATOM 543 CG1 VAL A 613 -7.944 12.432 8.081 1.00 17.72 C +ATOM 544 CG2 VAL A 613 -7.311 10.148 8.951 1.00 16.87 C +ATOM 545 N LEU A 614 -11.383 12.214 8.378 1.00 17.45 N +ATOM 546 CA LEU A 614 -12.331 13.287 8.067 1.00 16.55 C +ATOM 547 C LEU A 614 -13.173 13.584 9.286 1.00 17.12 C +ATOM 548 O LEU A 614 -13.322 14.739 9.677 1.00 17.33 O +ATOM 549 CB LEU A 614 -13.243 12.784 6.960 1.00 17.55 C +ATOM 550 CG LEU A 614 -13.531 13.695 5.791 1.00 21.70 C +ATOM 551 CD1 LEU A 614 -14.887 13.291 5.138 1.00 20.17 C +ATOM 552 CD2 LEU A 614 -13.404 15.187 6.067 1.00 18.20 C +ATOM 553 N GLN A 615 -13.678 12.532 9.938 1.00 16.89 N +ATOM 554 CA GLN A 615 -14.530 12.731 11.115 1.00 17.40 C +ATOM 555 C GLN A 615 -13.795 13.324 12.328 1.00 17.53 C +ATOM 556 O GLN A 615 -14.355 14.160 13.049 1.00 16.40 O +ATOM 557 CB GLN A 615 -15.263 11.452 11.467 1.00 17.28 C +ATOM 558 CG GLN A 615 -16.253 11.090 10.396 1.00 20.78 C +ATOM 559 CD GLN A 615 -17.049 9.859 10.730 1.00 26.19 C +ATOM 560 OE1 GLN A 615 -16.705 9.110 11.646 1.00 26.73 O +ATOM 561 NE2 GLN A 615 -18.118 9.622 9.960 1.00 27.66 N +ATOM 562 N ALA A 616 -12.544 12.922 12.531 1.00 16.34 N +ATOM 563 CA ALA A 616 -11.712 13.502 13.578 1.00 17.36 C +ATOM 564 C ALA A 616 -11.442 15.001 13.321 1.00 17.70 C +ATOM 565 O ALA A 616 -11.525 15.833 14.234 1.00 18.94 O +ATOM 566 CB ALA A 616 -10.405 12.706 13.712 1.00 16.21 C +ATOM 567 N HIS A 617 -11.130 15.334 12.075 1.00 17.60 N +ATOM 568 CA HIS A 617 -10.956 16.731 11.660 1.00 20.04 C +ATOM 569 C HIS A 617 -12.233 17.534 11.927 1.00 21.54 C +ATOM 570 O HIS A 617 -12.176 18.630 12.477 1.00 21.19 O +ATOM 571 CB HIS A 617 -10.553 16.781 10.179 1.00 18.92 C +ATOM 572 CG HIS A 617 -10.209 18.154 9.676 1.00 18.87 C +ATOM 573 ND1 HIS A 617 -9.123 18.863 10.132 1.00 18.87 N +ATOM 574 CD2 HIS A 617 -10.782 18.915 8.718 1.00 20.28 C +ATOM 575 CE1 HIS A 617 -9.063 20.026 9.503 1.00 18.93 C +ATOM 576 NE2 HIS A 617 -10.056 20.077 8.634 1.00 16.66 N +ATOM 577 N GLN A 618 -13.372 16.969 11.529 1.00 24.12 N +ATOM 578 CA GLN A 618 -14.670 17.614 11.667 1.00 26.25 C +ATOM 579 C GLN A 618 -14.980 17.886 13.120 1.00 27.24 C +ATOM 580 O GLN A 618 -15.580 18.922 13.447 1.00 27.60 O +ATOM 581 CB GLN A 618 -15.781 16.765 11.011 1.00 26.37 C +ATOM 582 CG GLN A 618 -15.762 16.825 9.474 1.00 27.91 C +ATOM 583 CD GLN A 618 -16.828 15.961 8.782 1.00 28.33 C +ATOM 584 OE1 GLN A 618 -17.252 14.931 9.308 1.00 34.02 O +ATOM 585 NE2 GLN A 618 -17.213 16.352 7.567 1.00 26.02 N +ATOM 586 N ALA A 619 -14.572 16.965 13.997 1.00 28.38 N +ATOM 587 CA ALA A 619 -14.756 17.146 15.432 1.00 29.66 C +ATOM 588 C ALA A 619 -13.955 18.352 15.927 1.00 30.28 C +ATOM 589 O ALA A 619 -14.466 19.187 16.695 1.00 30.64 O +ATOM 590 CB ALA A 619 -14.359 15.887 16.193 1.00 29.16 C +ATOM 591 N LYS A 620 -12.715 18.460 15.474 1.00 31.45 N +ATOM 592 CA LYS A 620 -11.900 19.614 15.834 1.00 32.21 C +ATOM 593 C LYS A 620 -12.500 20.934 15.340 1.00 32.81 C +ATOM 594 O LYS A 620 -12.571 21.912 16.094 1.00 32.73 O +ATOM 595 CB LYS A 620 -10.470 19.459 15.339 1.00 32.32 C +ATOM 596 CG LYS A 620 -9.570 20.604 15.787 1.00 32.66 C +ATOM 597 CD LYS A 620 -8.118 20.237 15.641 1.00 35.44 C +ATOM 598 CE LYS A 620 -7.591 19.524 16.876 1.00 35.79 C +ATOM 599 NZ LYS A 620 -6.106 19.474 16.831 1.00 34.32 N +ATOM 600 N GLU A 621 -12.951 20.964 14.092 1.00 33.42 N +ATOM 601 CA GLU A 621 -13.586 22.174 13.547 1.00 34.05 C +ATOM 602 C GLU A 621 -14.945 22.490 14.192 1.00 34.08 C +ATOM 603 O GLU A 621 -15.289 23.674 14.378 1.00 33.96 O +ATOM 604 CB GLU A 621 -13.708 22.070 12.022 1.00 34.01 C +ATOM 605 CG GLU A 621 -12.361 22.044 11.314 1.00 35.37 C +ATOM 606 CD GLU A 621 -12.461 21.928 9.788 1.00 35.76 C +ATOM 607 OE1 GLU A 621 -13.373 21.232 9.277 1.00 39.66 O +ATOM 608 OE2 GLU A 621 -11.605 22.537 9.102 1.00 37.90 O +ATOM 609 N ALA A 622 -15.710 21.449 14.532 1.00 33.94 N +ATOM 610 CA ALA A 622 -17.052 21.620 15.130 1.00 33.88 C +ATOM 611 C ALA A 622 -16.999 22.232 16.523 1.00 34.38 C +ATOM 612 O ALA A 622 -17.899 22.982 16.917 1.00 33.55 O +ATOM 613 CB ALA A 622 -17.791 20.295 15.179 1.00 33.85 C +ATOM 614 N ALA A 623 -15.928 21.911 17.247 1.00 35.09 N +ATOM 615 CA ALA A 623 -15.730 22.319 18.628 1.00 35.21 C +ATOM 616 C ALA A 623 -15.420 23.804 18.722 1.00 35.62 C +ATOM 617 O ALA A 623 -15.298 24.353 19.816 1.00 35.88 O +ATOM 618 CB ALA A 623 -14.603 21.499 19.253 1.00 35.48 C +ATOM 620 N THR B 913 0.193 10.464 3.799 1.00 28.62 N +ATOM 621 CA THR B 913 -1.065 10.184 4.566 1.00 28.13 C +ATOM 622 C THR B 913 -2.206 11.098 4.112 1.00 27.62 C +ATOM 623 O THR B 913 -1.989 12.049 3.360 1.00 28.56 O +ATOM 624 CB THR B 913 -0.859 10.244 6.115 1.00 28.50 C +ATOM 625 OG1 THR B 913 -1.126 11.564 6.613 1.00 30.70 O +ATOM 626 CG2 THR B 913 0.557 9.807 6.518 1.00 28.39 C +ATOM 627 N LEU B 914 -3.409 10.812 4.601 1.00 25.90 N +ATOM 628 CA LEU B 914 -4.646 11.415 4.110 1.00 24.88 C +ATOM 629 C LEU B 914 -4.900 12.796 4.719 1.00 23.48 C +ATOM 630 O LEU B 914 -4.859 12.956 5.938 1.00 23.11 O +ATOM 631 CB LEU B 914 -5.816 10.479 4.416 1.00 24.44 C +ATOM 632 CG LEU B 914 -5.667 9.036 3.907 1.00 25.78 C +ATOM 633 CD1 LEU B 914 -6.649 8.094 4.598 1.00 25.68 C +ATOM 634 CD2 LEU B 914 -5.837 8.991 2.399 1.00 23.71 C +ATOM 635 N ASN B 915 -5.141 13.778 3.854 1.00 22.36 N +ATOM 636 CA ASN B 915 -5.394 15.157 4.277 1.00 22.29 C +ATOM 637 C ASN B 915 -6.878 15.488 4.113 1.00 22.06 C +ATOM 638 O ASN B 915 -7.396 15.513 2.972 1.00 23.39 O +ATOM 639 CB ASN B 915 -4.510 16.136 3.452 1.00 22.30 C +ATOM 640 CG ASN B 915 -4.613 17.594 3.925 1.00 22.76 C +ATOM 641 OD1 ASN B 915 -5.611 17.999 4.471 1.00 24.82 O +ATOM 642 ND2 ASN B 915 -3.577 18.392 3.664 1.00 19.94 N +ATOM 643 N PRO B 916 -7.568 15.760 5.232 1.00 22.34 N +ATOM 644 CA PRO B 916 -8.993 16.046 5.194 1.00 22.29 C +ATOM 645 C PRO B 916 -9.299 17.379 4.519 1.00 21.76 C +ATOM 646 O PRO B 916 -10.470 17.681 4.316 1.00 23.10 O +ATOM 647 CB PRO B 916 -9.384 16.094 6.681 1.00 21.98 C +ATOM 648 CG PRO B 916 -8.114 16.538 7.355 1.00 24.00 C +ATOM 649 CD PRO B 916 -7.046 15.818 6.609 1.00 23.27 C +ATOM 650 N ASN B 917 -8.270 18.171 4.189 1.00 24.01 N +ATOM 651 CA ASN B 917 -8.460 19.400 3.420 1.00 24.08 C +ATOM 652 C ASN B 917 -8.361 19.216 1.911 1.00 24.03 C +ATOM 653 O ASN B 917 -8.419 20.169 1.177 1.00 24.16 O +ATOM 654 CB ASN B 917 -7.458 20.475 3.888 1.00 23.51 C +ATOM 655 CG ASN B 917 -7.757 20.956 5.257 1.00 24.06 C +ATOM 656 OD1 ASN B 917 -8.928 21.127 5.637 1.00 22.93 O +ATOM 657 ND2 ASN B 917 -6.716 21.231 6.010 1.00 22.38 N +ATOM 658 N ALA B 918 -8.265 17.971 1.451 1.00 25.16 N +ATOM 659 CA ALA B 918 -8.158 17.690 0.024 1.00 24.93 C +ATOM 660 C ALA B 918 -9.342 18.209 -0.797 1.00 25.59 C +ATOM 661 O ALA B 918 -10.474 18.312 -0.296 1.00 25.04 O +ATOM 662 CB ALA B 918 -7.994 16.194 -0.194 1.00 25.73 C +ATOM 663 N LYS B 919 -9.065 18.545 -2.060 1.00 26.13 N +ATOM 664 CA LYS B 919 -10.095 18.942 -3.016 1.00 27.25 C +ATOM 665 C LYS B 919 -11.147 17.845 -3.125 1.00 27.10 C +ATOM 666 O LYS B 919 -10.801 16.677 -3.324 1.00 27.55 O +ATOM 667 CB LYS B 919 -9.498 19.091 -4.424 1.00 27.72 C +ATOM 668 CG LYS B 919 -8.566 20.236 -4.655 1.00 30.98 C +ATOM 669 CD LYS B 919 -7.808 20.037 -5.966 1.00 32.81 C +ATOM 670 CE LYS B 919 -6.987 21.267 -6.354 1.00 34.34 C +ATOM 671 NZ LYS B 919 -5.897 21.571 -5.378 1.00 33.95 N +ATOM 672 N GLU B 920 -12.421 18.209 -3.038 1.00 26.49 N +ATOM 673 CA GLU B 920 -13.479 17.238 -3.312 1.00 26.98 C +ATOM 674 C GLU B 920 -13.450 16.792 -4.777 1.00 26.86 C +ATOM 675 O GLU B 920 -13.123 17.570 -5.672 1.00 26.59 O +ATOM 676 CB GLU B 920 -14.856 17.802 -2.963 1.00 27.49 C +ATOM 677 CG GLU B 920 -15.021 18.141 -1.480 1.00 30.18 C +ATOM 678 CD GLU B 920 -16.474 18.287 -1.070 1.00 33.75 C +ATOM 679 OE1 GLU B 920 -16.732 18.741 0.067 1.00 34.72 O +ATOM 680 OE2 GLU B 920 -17.354 17.942 -1.892 1.00 37.17 O +ATOM 681 N PHE B 921 -13.796 15.527 -4.994 1.00 26.50 N +ATOM 682 CA PHE B 921 -13.890 14.961 -6.328 1.00 26.06 C +ATOM 683 C PHE B 921 -15.282 15.161 -6.911 1.00 26.69 C +ATOM 684 O PHE B 921 -16.281 14.923 -6.234 1.00 27.64 O +ATOM 685 CB PHE B 921 -13.581 13.460 -6.274 1.00 26.23 C +ATOM 686 CG PHE B 921 -13.694 12.801 -7.593 1.00 23.46 C +ATOM 687 CD1 PHE B 921 -12.709 12.978 -8.554 1.00 23.91 C +ATOM 688 CD2 PHE B 921 -14.833 12.039 -7.912 1.00 24.44 C +ATOM 689 CE1 PHE B 921 -12.841 12.381 -9.815 1.00 22.78 C +ATOM 690 CE2 PHE B 921 -14.975 11.445 -9.167 1.00 24.16 C +ATOM 691 CZ PHE B 921 -13.974 11.630 -10.125 1.00 23.47 C +ATOM 692 N ASN B 922 -15.331 15.556 -8.187 1.00 27.27 N +ATOM 693 CA ASN B 922 -16.592 15.660 -8.913 1.00 28.50 C +ATOM 694 C ASN B 922 -16.703 14.619 -10.034 1.00 27.95 C +ATOM 695 O ASN B 922 -15.948 14.668 -11.009 1.00 28.22 O +ATOM 696 CB ASN B 922 -16.778 17.092 -9.421 1.00 29.24 C +ATOM 697 CG ASN B 922 -16.670 18.129 -8.291 1.00 32.07 C +ATOM 698 OD1 ASN B 922 -17.262 17.969 -7.212 1.00 35.56 O +ATOM 699 ND2 ASN B 922 -15.912 19.194 -8.537 1.00 34.81 N +ATOM 700 N PRO B 923 -17.627 13.649 -9.880 1.00 27.64 N +ATOM 701 CA PRO B 923 -17.799 12.602 -10.885 1.00 27.57 C +ATOM 702 C PRO B 923 -18.518 13.157 -12.110 1.00 27.59 C +ATOM 703 O PRO B 923 -19.109 14.253 -12.044 1.00 26.79 O +ATOM 704 CB PRO B 923 -18.694 11.593 -10.170 1.00 28.09 C +ATOM 705 CG PRO B 923 -19.535 12.443 -9.283 1.00 27.69 C +ATOM 706 CD PRO B 923 -18.586 13.508 -8.774 1.00 27.56 C +ATOM 707 N ARG B 924 -18.463 12.407 -13.208 1.00 27.80 N +ATOM 708 CA ARG B 924 -19.186 12.761 -14.426 1.00 29.37 C +ATOM 709 C ARG B 924 -20.678 12.666 -14.187 1.00 29.36 C +ATOM 710 O ARG B 924 -21.453 13.441 -14.750 1.00 30.52 O +ATOM 711 CB ARG B 924 -18.770 11.835 -15.574 1.00 28.96 C +ATOM 712 CG ARG B 924 -19.618 11.993 -16.840 1.00 31.85 C +ATOM 713 CD ARG B 924 -18.883 11.528 -18.074 1.00 34.38 C +ATOM 714 NE ARG B 924 -19.627 11.842 -19.296 1.00 37.41 N +ATOM 715 CZ ARG B 924 -19.529 12.992 -19.965 1.00 39.60 C +ATOM 716 NH1 ARG B 924 -18.722 13.959 -19.532 1.00 40.56 N +ATOM 717 NH2 ARG B 924 -20.235 13.178 -21.074 1.00 39.45 N +ATOM 718 N SER B 925 -21.070 11.690 -13.368 1.00 30.58 N +ATOM 719 CA SER B 925 -22.460 11.556 -12.910 1.00 30.09 C +ATOM 720 C SER B 925 -22.516 10.858 -11.540 1.00 30.15 C +ATOM 721 O SER B 925 -21.597 10.147 -11.172 1.00 29.44 O +ATOM 722 CB SER B 925 -23.308 10.786 -13.939 1.00 30.17 C +ATOM 723 OG SER B 925 -22.982 9.400 -13.978 1.00 30.16 O +ATOM 724 N PHE B 926 -23.620 11.059 -10.813 1.00 30.71 N +ATOM 725 CA PHE B 926 -23.835 10.451 -9.494 1.00 31.18 C +ATOM 726 C PHE B 926 -24.494 9.083 -9.577 1.00 32.63 C +ATOM 727 O PHE B 926 -24.400 8.283 -8.640 1.00 32.98 O +ATOM 728 CB PHE B 926 -24.666 11.372 -8.593 1.00 31.33 C +ATOM 729 CG PHE B 926 -23.911 12.571 -8.114 1.00 30.29 C +ATOM 730 CD1 PHE B 926 -24.132 13.817 -8.681 1.00 31.83 C +ATOM 731 CD2 PHE B 926 -22.953 12.452 -7.113 1.00 28.99 C +ATOM 732 CE1 PHE B 926 -23.406 14.926 -8.238 1.00 32.17 C +ATOM 733 CE2 PHE B 926 -22.208 13.558 -6.683 1.00 30.93 C +ATOM 734 CZ PHE B 926 -22.439 14.789 -7.241 1.00 31.37 C +ATOM 735 N SER B 927 -25.177 8.833 -10.694 1.00 33.83 N +ATOM 736 CA SER B 927 -25.771 7.529 -10.991 1.00 35.27 C +ATOM 737 C SER B 927 -24.681 6.477 -11.151 1.00 36.04 C +ATOM 738 O SER B 927 -24.963 5.276 -11.151 1.00 36.29 O +ATOM 739 CB SER B 927 -26.651 7.597 -12.240 1.00 35.10 C +ATOM 740 OG SER B 927 -26.140 8.532 -13.176 1.00 36.13 O +ATOM 741 N GLN B 928 -23.443 6.954 -11.306 1.00 37.24 N +ATOM 742 CA GLN B 928 -22.244 6.161 -11.067 1.00 38.15 C +ATOM 743 C GLN B 928 -22.381 5.553 -9.682 1.00 38.04 C +ATOM 744 O GLN B 928 -22.720 4.380 -9.511 1.00 38.57 O +ATOM 745 CB GLN B 928 -20.992 7.056 -11.084 1.00 38.14 C +ATOM 746 CG GLN B 928 -20.555 7.533 -12.455 1.00 39.02 C +ATOM 747 CD GLN B 928 -19.180 8.193 -12.442 1.00 39.28 C +ATOM 748 OE1 GLN B 928 -18.200 7.629 -11.937 1.00 35.97 O +ATOM 749 NE2 GLN B 928 -19.096 9.385 -13.026 1.00 40.19 N +ATOM 750 OXT GLN B 928 -22.169 6.252 -8.692 1.00 38.10 O From ketan at ci.uchicago.edu Wed Apr 6 16:02:19 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Wed, 6 Apr 2011 16:02:19 -0500 (CDT) Subject: [Swift-commit] r4297 - SwiftApps/modFTdock Message-ID: <20110406210219.345419CC6B@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-06 16:02:14 -0500 (Wed, 06 Apr 2011) New Revision: 4297 Modified: SwiftApps/modFTdock/ftdock.swift Log: options to put input and output folders from commandline Modified: SwiftApps/modFTdock/ftdock.swift =================================================================== --- SwiftApps/modFTdock/ftdock.swift 2011-04-06 20:50:53 UTC (rev 4296) +++ SwiftApps/modFTdock/ftdock.swift 2011-04-06 21:02:14 UTC (rev 4297) @@ -26,14 +26,14 @@ { trace( str_root ); - string str_file_static = @strcat( "input/", str_root, ".pdb" ); + string str_file_static = @strcat( @arg("in", "input/"), str_root, ".pdb" ); string str_file_mobile = "input/4TRA.pdb"; file_pdb file_static < single_file_mapper; file = str_file_static >; file_pdb file_mobile < single_file_mapper; file = str_file_mobile >; file_dat dat_files[] < simple_mapper; padding = 3, - location = "output", + location = @arg("out", "output"), prefix = @strcat( str_root, "_" ), suffix = ".dat" >; From davidk at ci.uchicago.edu Wed Apr 6 17:20:20 2011 From: davidk at ci.uchicago.edu (davidk at ci.uchicago.edu) Date: Wed, 6 Apr 2011 17:20:20 -0500 (CDT) Subject: [Swift-commit] r4298 - branches/release-0.92/bin Message-ID: <20110406222020.BF8DF9CC6B@svn.ci.uchicago.edu> Author: davidk Date: 2011-04-06 17:20:20 -0500 (Wed, 06 Apr 2011) New Revision: 4298 Modified: branches/release-0.92/bin/gensites Log: Adding Jon's slots fix to gensites from trunk Modified: branches/release-0.92/bin/gensites =================================================================== --- branches/release-0.92/bin/gensites 2011-04-06 21:02:14 UTC (rev 4297) +++ branches/release-0.92/bin/gensites 2011-04-06 22:20:20 UTC (rev 4298) @@ -169,6 +169,9 @@ "#site $TEMPLATE n_max="*|'#site n_max='*) MAXTIME=`get_value $line` ;; + "#site $TEMPLATE slots="*|'#site slots='*) + SLOTS=`get_value $line` + ;; esac done < $PROPERTIES_FILE From ketan at ci.uchicago.edu Wed Apr 6 17:27:28 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Wed, 6 Apr 2011 17:27:28 -0500 (CDT) Subject: [Swift-commit] r4299 - SwiftApps/modFTdock Message-ID: <20110406222728.A8B8D9CC6B@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-06 17:27:27 -0500 (Wed, 06 Apr 2011) New Revision: 4299 Removed: SwiftApps/modFTdock/input/ Log: Temp removed input From ketan at ci.uchicago.edu Wed Apr 6 17:57:05 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Wed, 6 Apr 2011 17:57:05 -0500 (CDT) Subject: [Swift-commit] r4300 - in SwiftApps/modFTdock: . input Message-ID: <20110406225705.BE0E29CC6B@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-06 17:57:05 -0500 (Wed, 06 Apr 2011) New Revision: 4300 Added: SwiftApps/modFTdock/input/ SwiftApps/modFTdock/input/1a7f-1.pdb SwiftApps/modFTdock/input/1aiu-1.pdb SwiftApps/modFTdock/input/1bmp-1.pdb SwiftApps/modFTdock/input/1cdz-1.pdb SwiftApps/modFTdock/input/1cr8-1.pdb SwiftApps/modFTdock/input/1dv0-1.pdb SwiftApps/modFTdock/input/1j0w-1.pdb SwiftApps/modFTdock/input/1j55-1.pdb SwiftApps/modFTdock/input/1k8u-1.pdb SwiftApps/modFTdock/input/1mfg-1.pdb SwiftApps/modFTdock/input/1mil-1.pdb SwiftApps/modFTdock/input/1mj4-1.pdb SwiftApps/modFTdock/input/1oxn-1.pdb SwiftApps/modFTdock/input/1oxn-2.pdb SwiftApps/modFTdock/input/1oxn-3.pdb SwiftApps/modFTdock/input/1oxn-4.pdb SwiftApps/modFTdock/input/1oxn-5.pdb SwiftApps/modFTdock/input/1oxn-6.pdb SwiftApps/modFTdock/input/1oxn-9.pdb SwiftApps/modFTdock/input/1q02-1.pdb SwiftApps/modFTdock/input/1waq-1.pdb SwiftApps/modFTdock/input/1wgl-1.pdb SwiftApps/modFTdock/input/1wm2-1.pdb SwiftApps/modFTdock/input/1xed-3.pdb SwiftApps/modFTdock/input/1xed-4.pdb SwiftApps/modFTdock/input/1zt3-1.pdb SwiftApps/modFTdock/input/2c60-1.pdb SwiftApps/modFTdock/input/2cq7-1.pdb SwiftApps/modFTdock/input/2cwb-1.pdb SwiftApps/modFTdock/input/2did-1.pdb SwiftApps/modFTdock/input/2dk1-1.pdb SwiftApps/modFTdock/input/2do1-1.pdb SwiftApps/modFTdock/input/2dq5-1.pdb SwiftApps/modFTdock/input/2e3v-1.pdb SwiftApps/modFTdock/input/2e3v-2.pdb SwiftApps/modFTdock/input/2e3v-3.pdb SwiftApps/modFTdock/input/2eaq-1.pdb SwiftApps/modFTdock/input/2frg-1.pdb SwiftApps/modFTdock/input/2g1l-1.pdb SwiftApps/modFTdock/input/2g7r-1.pdb SwiftApps/modFTdock/input/2g7r-2.pdb SwiftApps/modFTdock/input/2jil-1.pdb SwiftApps/modFTdock/input/2jil-2.pdb SwiftApps/modFTdock/input/2jrj-1.pdb SwiftApps/modFTdock/input/2jy5-1.pdb SwiftApps/modFTdock/input/2kb9-1.pdb SwiftApps/modFTdock/input/2kqb-1.pdb SwiftApps/modFTdock/input/2ksg-1.pdb SwiftApps/modFTdock/input/2no2-1.pdb SwiftApps/modFTdock/input/2of5-8.pdb SwiftApps/modFTdock/input/2of5-9.pdb SwiftApps/modFTdock/input/2pe8-1.pdb SwiftApps/modFTdock/input/2pnt-1.pdb SwiftApps/modFTdock/input/2pnt-2.pdb SwiftApps/modFTdock/input/2rii-2.pdb SwiftApps/modFTdock/input/2rii-3.pdb SwiftApps/modFTdock/input/2rnl-1.pdb SwiftApps/modFTdock/input/2v3s-1.pdb SwiftApps/modFTdock/input/2v3s-2.pdb SwiftApps/modFTdock/input/2vc8-1.pdb SwiftApps/modFTdock/input/2vp7-1.pdb SwiftApps/modFTdock/input/2vwr-1.pdb SwiftApps/modFTdock/input/2x57-2.pdb SwiftApps/modFTdock/input/2x57-3.pdb SwiftApps/modFTdock/input/2x57-4.pdb SwiftApps/modFTdock/input/2x7a-2.pdb SwiftApps/modFTdock/input/2x7a-4.pdb SwiftApps/modFTdock/input/2yx8-1.pdb SwiftApps/modFTdock/input/2yx8-2.pdb SwiftApps/modFTdock/input/2yy0-1.pdb SwiftApps/modFTdock/input/2yy0-2.pdb SwiftApps/modFTdock/input/2z0b-2.pdb SwiftApps/modFTdock/input/2z0b-5.pdb SwiftApps/modFTdock/input/2z17-1.pdb SwiftApps/modFTdock/input/3brt-2.pdb SwiftApps/modFTdock/input/3brt-3.pdb SwiftApps/modFTdock/input/3brt-4.pdb SwiftApps/modFTdock/input/3brt-5.pdb SwiftApps/modFTdock/input/3ci9-1.pdb SwiftApps/modFTdock/input/3eq5-1.pdb SwiftApps/modFTdock/input/3eq5-2.pdb SwiftApps/modFTdock/input/3eq5-3.pdb SwiftApps/modFTdock/input/3eq5-4.pdb SwiftApps/modFTdock/input/3eq5-5.pdb SwiftApps/modFTdock/input/3eq5-6.pdb SwiftApps/modFTdock/input/3eq5-7.pdb SwiftApps/modFTdock/input/3eq5-8.pdb SwiftApps/modFTdock/input/3eq5-9.pdb SwiftApps/modFTdock/input/3fxt-3.pdb SwiftApps/modFTdock/input/3fxt-5.pdb SwiftApps/modFTdock/input/3g36-1.pdb SwiftApps/modFTdock/input/3h8q-2.pdb SwiftApps/modFTdock/input/3hm5-1.pdb SwiftApps/modFTdock/input/3iez-1.pdb SwiftApps/modFTdock/input/3isu-1.pdb SwiftApps/modFTdock/input/3kgr-1.pdb SwiftApps/modFTdock/input/3kgr-2.pdb SwiftApps/modFTdock/input/3kgr-3.pdb SwiftApps/modFTdock/input/3kqi-2.pdb SwiftApps/modFTdock/input/3ktr-1.pdb SwiftApps/modFTdock/input/4TRA.pdb Log: Added input proteins Added: SwiftApps/modFTdock/input/1a7f-1.pdb =================================================================== --- SwiftApps/modFTdock/input/1a7f-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/1a7f-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,753 @@ +ATOM 1 N GLY A 1 0.074 3.305 12.661 1.00 0.00 N +ATOM 2 CA GLY A 1 0.320 3.899 11.317 1.00 0.00 C +ATOM 3 C GLY A 1 0.777 2.805 10.350 1.00 0.00 C +ATOM 4 O GLY A 1 1.476 1.883 10.729 1.00 0.00 O +ATOM 5 H1 GLY A 1 0.795 2.584 12.859 1.00 0.00 H +ATOM 6 H2 GLY A 1 0.121 4.053 13.384 1.00 0.00 H +ATOM 7 H3 GLY A 1 -0.867 2.864 12.678 1.00 0.00 H +ATOM 8 HA2 GLY A 1 -0.591 4.349 10.949 1.00 0.00 H +ATOM 9 HA3 GLY A 1 1.089 4.653 11.390 1.00 0.00 H +ATOM 10 N ILE A 2 0.386 2.901 9.105 1.00 0.00 N +ATOM 11 CA ILE A 2 0.793 1.870 8.105 1.00 0.00 C +ATOM 12 C ILE A 2 1.508 2.542 6.931 1.00 0.00 C +ATOM 13 O ILE A 2 2.588 2.138 6.541 1.00 0.00 O +ATOM 14 CB ILE A 2 -0.439 1.134 7.599 1.00 0.00 C +ATOM 15 CG1 ILE A 2 -1.243 0.594 8.792 1.00 0.00 C +ATOM 16 CG2 ILE A 2 -0.011 -0.031 6.692 1.00 0.00 C +ATOM 17 CD1 ILE A 2 -2.400 1.545 9.106 1.00 0.00 C +ATOM 18 H ILE A 2 -0.176 3.654 8.826 1.00 0.00 H +ATOM 19 HA ILE A 2 1.449 1.166 8.566 1.00 0.00 H +ATOM 20 HB ILE A 2 -1.039 1.817 7.038 1.00 0.00 H +ATOM 21 HG12 ILE A 2 -1.637 -0.382 8.548 1.00 0.00 H +ATOM 22 HG13 ILE A 2 -0.600 0.517 9.656 1.00 0.00 H +ATOM 23 HG21 ILE A 2 1.027 0.085 6.415 1.00 0.00 H +ATOM 24 HG22 ILE A 2 -0.140 -0.966 7.217 1.00 0.00 H +ATOM 25 HG23 ILE A 2 -0.622 -0.034 5.801 1.00 0.00 H +ATOM 26 HD11 ILE A 2 -2.007 2.524 9.339 1.00 0.00 H +ATOM 27 HD12 ILE A 2 -3.051 1.615 8.247 1.00 0.00 H +ATOM 28 HD13 ILE A 2 -2.956 1.169 9.951 1.00 0.00 H +ATOM 29 N VAL A 3 0.915 3.563 6.367 1.00 0.00 N +ATOM 30 CA VAL A 3 1.555 4.267 5.218 1.00 0.00 C +ATOM 31 C VAL A 3 2.716 5.117 5.736 1.00 0.00 C +ATOM 32 O VAL A 3 3.846 4.967 5.311 1.00 0.00 O +ATOM 33 CB VAL A 3 0.528 5.173 4.529 1.00 0.00 C +ATOM 34 CG1 VAL A 3 1.149 5.784 3.273 1.00 0.00 C +ATOM 35 CG2 VAL A 3 -0.703 4.351 4.135 1.00 0.00 C +ATOM 36 H VAL A 3 0.045 3.868 6.703 1.00 0.00 H +ATOM 37 HA VAL A 3 1.929 3.542 4.511 1.00 0.00 H +ATOM 38 HB VAL A 3 0.235 5.963 5.206 1.00 0.00 H +ATOM 39 HG11 VAL A 3 2.086 6.256 3.528 1.00 0.00 H +ATOM 40 HG12 VAL A 3 1.324 5.007 2.544 1.00 0.00 H +ATOM 41 HG13 VAL A 3 0.476 6.520 2.861 1.00 0.00 H +ATOM 42 HG21 VAL A 3 -0.823 3.525 4.819 1.00 0.00 H +ATOM 43 HG22 VAL A 3 -1.581 4.979 4.173 1.00 0.00 H +ATOM 44 HG23 VAL A 3 -0.576 3.973 3.132 1.00 0.00 H +ATOM 45 N GLU A 4 2.441 6.005 6.656 1.00 0.00 N +ATOM 46 CA GLU A 4 3.519 6.869 7.219 1.00 0.00 C +ATOM 47 C GLU A 4 4.582 6.002 7.909 1.00 0.00 C +ATOM 48 O GLU A 4 5.690 6.446 8.145 1.00 0.00 O +ATOM 49 CB GLU A 4 2.911 7.836 8.238 1.00 0.00 C +ATOM 50 CG GLU A 4 3.696 9.150 8.225 1.00 0.00 C +ATOM 51 CD GLU A 4 4.809 9.089 9.273 1.00 0.00 C +ATOM 52 OE1 GLU A 4 4.518 8.709 10.395 1.00 0.00 O +ATOM 53 OE2 GLU A 4 5.933 9.422 8.935 1.00 0.00 O +ATOM 54 H GLU A 4 1.522 6.099 6.981 1.00 0.00 H +ATOM 55 HA GLU A 4 3.979 7.432 6.422 1.00 0.00 H +ATOM 56 HB2 GLU A 4 1.880 8.030 7.979 1.00 0.00 H +ATOM 57 HB3 GLU A 4 2.960 7.400 9.223 1.00 0.00 H +ATOM 58 HG2 GLU A 4 4.129 9.301 7.246 1.00 0.00 H +ATOM 59 HG3 GLU A 4 3.032 9.969 8.455 1.00 0.00 H +ATOM 60 N GLN A 5 4.256 4.772 8.238 1.00 0.00 N +ATOM 61 CA GLN A 5 5.246 3.879 8.916 1.00 0.00 C +ATOM 62 C GLN A 5 6.505 3.741 8.052 1.00 0.00 C +ATOM 63 O GLN A 5 7.614 3.772 8.553 1.00 0.00 O +ATOM 64 CB GLN A 5 4.621 2.498 9.127 1.00 0.00 C +ATOM 65 CG GLN A 5 5.159 1.881 10.422 1.00 0.00 C +ATOM 66 CD GLN A 5 4.165 2.127 11.560 1.00 0.00 C +ATOM 67 OE1 GLN A 5 3.733 1.201 12.216 1.00 0.00 O +ATOM 68 NE2 GLN A 5 3.781 3.346 11.823 1.00 0.00 N +ATOM 69 H GLN A 5 3.359 4.434 8.044 1.00 0.00 H +ATOM 70 HA GLN A 5 5.513 4.301 9.872 1.00 0.00 H +ATOM 71 HB2 GLN A 5 3.547 2.596 9.192 1.00 0.00 H +ATOM 72 HB3 GLN A 5 4.874 1.859 8.294 1.00 0.00 H +ATOM 73 HG2 GLN A 5 5.292 0.818 10.285 1.00 0.00 H +ATOM 74 HG3 GLN A 5 6.107 2.334 10.671 1.00 0.00 H +ATOM 75 HE21 GLN A 5 4.128 4.095 11.295 1.00 0.00 H +ATOM 76 HE22 GLN A 5 3.146 3.513 12.551 1.00 0.00 H +ATOM 77 N CYS A 6 6.342 3.588 6.760 1.00 0.00 N +ATOM 78 CA CYS A 6 7.532 3.446 5.868 1.00 0.00 C +ATOM 79 C CYS A 6 7.243 4.090 4.505 1.00 0.00 C +ATOM 80 O CYS A 6 7.570 3.543 3.469 1.00 0.00 O +ATOM 81 CB CYS A 6 7.855 1.956 5.690 1.00 0.00 C +ATOM 82 SG CYS A 6 9.253 1.500 6.754 1.00 0.00 S +ATOM 83 H CYS A 6 5.440 3.566 6.379 1.00 0.00 H +ATOM 84 HA CYS A 6 8.374 3.943 6.321 1.00 0.00 H +ATOM 85 HB2 CYS A 6 6.992 1.369 5.962 1.00 0.00 H +ATOM 86 HB3 CYS A 6 8.111 1.759 4.660 1.00 0.00 H +ATOM 87 N CYS A 7 6.642 5.255 4.502 1.00 0.00 N +ATOM 88 CA CYS A 7 6.341 5.945 3.210 1.00 0.00 C +ATOM 89 C CYS A 7 7.655 6.275 2.499 1.00 0.00 C +ATOM 90 O CYS A 7 7.787 6.097 1.303 1.00 0.00 O +ATOM 91 CB CYS A 7 5.576 7.245 3.486 1.00 0.00 C +ATOM 92 SG CYS A 7 4.357 7.528 2.177 1.00 0.00 S +ATOM 93 H CYS A 7 6.395 5.680 5.350 1.00 0.00 H +ATOM 94 HA CYS A 7 5.745 5.295 2.586 1.00 0.00 H +ATOM 95 HB2 CYS A 7 5.071 7.168 4.437 1.00 0.00 H +ATOM 96 HB3 CYS A 7 6.271 8.072 3.515 1.00 0.00 H +ATOM 97 N THR A 8 8.625 6.754 3.234 1.00 0.00 N +ATOM 98 CA THR A 8 9.939 7.103 2.621 1.00 0.00 C +ATOM 99 C THR A 8 10.921 5.946 2.821 1.00 0.00 C +ATOM 100 O THR A 8 12.118 6.147 2.911 1.00 0.00 O +ATOM 101 CB THR A 8 10.492 8.361 3.293 1.00 0.00 C +ATOM 102 OG1 THR A 8 9.417 9.223 3.637 1.00 0.00 O +ATOM 103 CG2 THR A 8 11.439 9.081 2.332 1.00 0.00 C +ATOM 104 H THR A 8 8.487 6.886 4.196 1.00 0.00 H +ATOM 105 HA THR A 8 9.807 7.287 1.564 1.00 0.00 H +ATOM 106 HB THR A 8 11.033 8.085 4.186 1.00 0.00 H +ATOM 107 HG1 THR A 8 9.758 9.905 4.221 1.00 0.00 H +ATOM 108 HG21 THR A 8 11.872 8.365 1.649 1.00 0.00 H +ATOM 109 HG22 THR A 8 10.890 9.825 1.774 1.00 0.00 H +ATOM 110 HG23 THR A 8 12.225 9.562 2.895 1.00 0.00 H +ATOM 111 N SER A 9 10.422 4.738 2.892 1.00 0.00 N +ATOM 112 CA SER A 9 11.317 3.561 3.085 1.00 0.00 C +ATOM 113 C SER A 9 10.576 2.290 2.668 1.00 0.00 C +ATOM 114 O SER A 9 9.476 2.347 2.151 1.00 0.00 O +ATOM 115 CB SER A 9 11.716 3.460 4.558 1.00 0.00 C +ATOM 116 OG SER A 9 10.623 3.873 5.368 1.00 0.00 O +ATOM 117 H SER A 9 9.456 4.604 2.815 1.00 0.00 H +ATOM 118 HA SER A 9 12.203 3.677 2.477 1.00 0.00 H +ATOM 119 HB2 SER A 9 11.970 2.441 4.796 1.00 0.00 H +ATOM 120 HB3 SER A 9 12.573 4.095 4.742 1.00 0.00 H +ATOM 121 HG SER A 9 10.972 4.129 6.226 1.00 0.00 H +ATOM 122 N ILE A 10 11.173 1.149 2.882 1.00 0.00 N +ATOM 123 CA ILE A 10 10.514 -0.139 2.492 1.00 0.00 C +ATOM 124 C ILE A 10 10.388 -1.012 3.745 1.00 0.00 C +ATOM 125 O ILE A 10 11.333 -1.652 4.163 1.00 0.00 O +ATOM 126 CB ILE A 10 11.341 -0.884 1.409 1.00 0.00 C +ATOM 127 CG1 ILE A 10 12.367 0.062 0.750 1.00 0.00 C +ATOM 128 CG2 ILE A 10 10.397 -1.420 0.326 1.00 0.00 C +ATOM 129 CD1 ILE A 10 13.222 -0.706 -0.260 1.00 0.00 C +ATOM 130 H ILE A 10 12.062 1.134 3.295 1.00 0.00 H +ATOM 131 HA ILE A 10 9.525 0.074 2.109 1.00 0.00 H +ATOM 132 HB ILE A 10 11.861 -1.714 1.868 1.00 0.00 H +ATOM 133 HG12 ILE A 10 11.843 0.859 0.243 1.00 0.00 H +ATOM 134 HG13 ILE A 10 13.006 0.482 1.512 1.00 0.00 H +ATOM 135 HG21 ILE A 10 9.410 -1.557 0.742 1.00 0.00 H +ATOM 136 HG22 ILE A 10 10.350 -0.713 -0.491 1.00 0.00 H +ATOM 137 HG23 ILE A 10 10.769 -2.367 -0.039 1.00 0.00 H +ATOM 138 HD11 ILE A 10 12.579 -1.208 -0.967 1.00 0.00 H +ATOM 139 HD12 ILE A 10 13.864 -0.014 -0.783 1.00 0.00 H +ATOM 140 HD13 ILE A 10 13.825 -1.435 0.261 1.00 0.00 H +ATOM 141 N CYS A 11 9.230 -1.017 4.359 1.00 0.00 N +ATOM 142 CA CYS A 11 9.033 -1.821 5.604 1.00 0.00 C +ATOM 143 C CYS A 11 8.681 -3.276 5.253 1.00 0.00 C +ATOM 144 O CYS A 11 9.548 -4.127 5.200 1.00 0.00 O +ATOM 145 CB CYS A 11 7.911 -1.186 6.438 1.00 0.00 C +ATOM 146 SG CYS A 11 8.619 -0.144 7.739 1.00 0.00 S +ATOM 147 H CYS A 11 8.491 -0.477 4.009 1.00 0.00 H +ATOM 148 HA CYS A 11 9.951 -1.813 6.174 1.00 0.00 H +ATOM 149 HB2 CYS A 11 7.290 -0.579 5.797 1.00 0.00 H +ATOM 150 HB3 CYS A 11 7.312 -1.964 6.886 1.00 0.00 H +ATOM 151 N SER A 12 7.420 -3.576 5.025 1.00 0.00 N +ATOM 152 CA SER A 12 7.033 -4.981 4.694 1.00 0.00 C +ATOM 153 C SER A 12 5.547 -5.042 4.328 1.00 0.00 C +ATOM 154 O SER A 12 4.748 -4.248 4.789 1.00 0.00 O +ATOM 155 CB SER A 12 7.296 -5.877 5.905 1.00 0.00 C +ATOM 156 OG SER A 12 8.634 -6.352 5.856 1.00 0.00 O +ATOM 157 H SER A 12 6.733 -2.881 5.078 1.00 0.00 H +ATOM 158 HA SER A 12 7.622 -5.327 3.857 1.00 0.00 H +ATOM 159 HB2 SER A 12 7.154 -5.311 6.810 1.00 0.00 H +ATOM 160 HB3 SER A 12 6.605 -6.709 5.891 1.00 0.00 H +ATOM 161 HG SER A 12 8.740 -7.013 6.544 1.00 0.00 H +ATOM 162 N LEU A 13 5.178 -5.984 3.499 1.00 0.00 N +ATOM 163 CA LEU A 13 3.749 -6.119 3.083 1.00 0.00 C +ATOM 164 C LEU A 13 2.890 -6.543 4.279 1.00 0.00 C +ATOM 165 O LEU A 13 1.689 -6.352 4.279 1.00 0.00 O +ATOM 166 CB LEU A 13 3.655 -7.173 1.959 1.00 0.00 C +ATOM 167 CG LEU A 13 2.198 -7.442 1.500 1.00 0.00 C +ATOM 168 CD1 LEU A 13 1.501 -8.407 2.469 1.00 0.00 C +ATOM 169 CD2 LEU A 13 1.391 -6.135 1.395 1.00 0.00 C +ATOM 170 H LEU A 13 5.846 -6.607 3.145 1.00 0.00 H +ATOM 171 HA LEU A 13 3.399 -5.169 2.714 1.00 0.00 H +ATOM 172 HB2 LEU A 13 4.225 -6.829 1.110 1.00 0.00 H +ATOM 173 HB3 LEU A 13 4.086 -8.098 2.314 1.00 0.00 H +ATOM 174 HG LEU A 13 2.231 -7.908 0.524 1.00 0.00 H +ATOM 175 HD11 LEU A 13 2.214 -8.772 3.193 1.00 0.00 H +ATOM 176 HD12 LEU A 13 0.701 -7.894 2.984 1.00 0.00 H +ATOM 177 HD13 LEU A 13 1.094 -9.240 1.916 1.00 0.00 H +ATOM 178 HD21 LEU A 13 2.066 -5.298 1.327 1.00 0.00 H +ATOM 179 HD22 LEU A 13 0.773 -6.168 0.512 1.00 0.00 H +ATOM 180 HD23 LEU A 13 0.767 -6.025 2.269 1.00 0.00 H +ATOM 181 N TYR A 14 3.483 -7.128 5.294 1.00 0.00 N +ATOM 182 CA TYR A 14 2.685 -7.572 6.478 1.00 0.00 C +ATOM 183 C TYR A 14 1.890 -6.379 7.054 1.00 0.00 C +ATOM 184 O TYR A 14 0.865 -6.559 7.686 1.00 0.00 O +ATOM 185 CB TYR A 14 3.643 -8.230 7.517 1.00 0.00 C +ATOM 186 CG TYR A 14 3.864 -7.374 8.753 1.00 0.00 C +ATOM 187 CD1 TYR A 14 4.743 -6.284 8.709 1.00 0.00 C +ATOM 188 CD2 TYR A 14 3.187 -7.679 9.939 1.00 0.00 C +ATOM 189 CE1 TYR A 14 4.943 -5.501 9.851 1.00 0.00 C +ATOM 190 CE2 TYR A 14 3.388 -6.896 11.082 1.00 0.00 C +ATOM 191 CZ TYR A 14 4.266 -5.807 11.038 1.00 0.00 C +ATOM 192 OH TYR A 14 4.463 -5.036 12.165 1.00 0.00 O +ATOM 193 H TYR A 14 4.451 -7.283 5.273 1.00 0.00 H +ATOM 194 HA TYR A 14 1.976 -8.319 6.145 1.00 0.00 H +ATOM 195 HB2 TYR A 14 3.224 -9.175 7.825 1.00 0.00 H +ATOM 196 HB3 TYR A 14 4.596 -8.412 7.041 1.00 0.00 H +ATOM 197 HD1 TYR A 14 5.265 -6.049 7.794 1.00 0.00 H +ATOM 198 HD2 TYR A 14 2.509 -8.519 9.972 1.00 0.00 H +ATOM 199 HE1 TYR A 14 5.621 -4.661 9.818 1.00 0.00 H +ATOM 200 HE2 TYR A 14 2.865 -7.133 11.996 1.00 0.00 H +ATOM 201 HH TYR A 14 3.611 -4.691 12.442 1.00 0.00 H +ATOM 202 N GLN A 15 2.351 -5.171 6.829 1.00 0.00 N +ATOM 203 CA GLN A 15 1.617 -3.980 7.350 1.00 0.00 C +ATOM 204 C GLN A 15 0.429 -3.681 6.435 1.00 0.00 C +ATOM 205 O GLN A 15 -0.679 -3.473 6.892 1.00 0.00 O +ATOM 206 CB GLN A 15 2.551 -2.767 7.385 1.00 0.00 C +ATOM 207 CG GLN A 15 2.043 -1.758 8.421 1.00 0.00 C +ATOM 208 CD GLN A 15 2.788 -1.951 9.747 1.00 0.00 C +ATOM 209 OE1 GLN A 15 3.539 -2.894 9.912 1.00 0.00 O +ATOM 210 NE2 GLN A 15 2.611 -1.087 10.710 1.00 0.00 N +ATOM 211 H GLN A 15 3.174 -5.049 6.309 1.00 0.00 H +ATOM 212 HA GLN A 15 1.258 -4.187 8.349 1.00 0.00 H +ATOM 213 HB2 GLN A 15 3.549 -3.088 7.650 1.00 0.00 H +ATOM 214 HB3 GLN A 15 2.570 -2.300 6.411 1.00 0.00 H +ATOM 215 HG2 GLN A 15 2.212 -0.755 8.056 1.00 0.00 H +ATOM 216 HG3 GLN A 15 0.985 -1.908 8.581 1.00 0.00 H +ATOM 217 HE21 GLN A 15 2.007 -0.327 10.581 1.00 0.00 H +ATOM 218 HE22 GLN A 15 3.080 -1.201 11.563 1.00 0.00 H +ATOM 219 N LEU A 16 0.654 -3.665 5.145 1.00 0.00 N +ATOM 220 CA LEU A 16 -0.456 -3.386 4.188 1.00 0.00 C +ATOM 221 C LEU A 16 -1.495 -4.517 4.239 1.00 0.00 C +ATOM 222 O LEU A 16 -2.599 -4.368 3.754 1.00 0.00 O +ATOM 223 CB LEU A 16 0.107 -3.280 2.768 1.00 0.00 C +ATOM 224 CG LEU A 16 0.376 -1.813 2.430 1.00 0.00 C +ATOM 225 CD1 LEU A 16 1.070 -1.724 1.070 1.00 0.00 C +ATOM 226 CD2 LEU A 16 -0.951 -1.050 2.378 1.00 0.00 C +ATOM 227 H LEU A 16 1.558 -3.840 4.807 1.00 0.00 H +ATOM 228 HA LEU A 16 -0.932 -2.454 4.453 1.00 0.00 H +ATOM 229 HB2 LEU A 16 1.030 -3.839 2.705 1.00 0.00 H +ATOM 230 HB3 LEU A 16 -0.607 -3.683 2.065 1.00 0.00 H +ATOM 231 HG LEU A 16 1.015 -1.380 3.187 1.00 0.00 H +ATOM 232 HD11 LEU A 16 0.607 -2.417 0.384 1.00 0.00 H +ATOM 233 HD12 LEU A 16 0.982 -0.721 0.685 1.00 0.00 H +ATOM 234 HD13 LEU A 16 2.115 -1.976 1.182 1.00 0.00 H +ATOM 235 HD21 LEU A 16 -1.746 -1.730 2.114 1.00 0.00 H +ATOM 236 HD22 LEU A 16 -1.154 -0.616 3.345 1.00 0.00 H +ATOM 237 HD23 LEU A 16 -0.888 -0.267 1.637 1.00 0.00 H +ATOM 238 N GLU A 17 -1.152 -5.645 4.821 1.00 0.00 N +ATOM 239 CA GLU A 17 -2.121 -6.780 4.903 1.00 0.00 C +ATOM 240 C GLU A 17 -3.382 -6.349 5.663 1.00 0.00 C +ATOM 241 O GLU A 17 -4.417 -6.980 5.558 1.00 0.00 O +ATOM 242 CB GLU A 17 -1.466 -7.953 5.635 1.00 0.00 C +ATOM 243 CG GLU A 17 -2.009 -9.273 5.081 1.00 0.00 C +ATOM 244 CD GLU A 17 -3.242 -9.693 5.881 1.00 0.00 C +ATOM 245 OE1 GLU A 17 -3.100 -9.935 7.069 1.00 0.00 O +ATOM 246 OE2 GLU A 17 -4.308 -9.768 5.293 1.00 0.00 O +ATOM 247 H GLU A 17 -0.258 -5.747 5.204 1.00 0.00 H +ATOM 248 HA GLU A 17 -2.396 -7.090 3.905 1.00 0.00 H +ATOM 249 HB2 GLU A 17 -0.396 -7.915 5.492 1.00 0.00 H +ATOM 250 HB3 GLU A 17 -1.691 -7.890 6.690 1.00 0.00 H +ATOM 251 HG2 GLU A 17 -2.277 -9.143 4.042 1.00 0.00 H +ATOM 252 HG3 GLU A 17 -1.250 -10.037 5.164 1.00 0.00 H +ATOM 253 N ASN A 18 -3.309 -5.283 6.427 1.00 0.00 N +ATOM 254 CA ASN A 18 -4.505 -4.820 7.191 1.00 0.00 C +ATOM 255 C ASN A 18 -5.259 -3.751 6.388 1.00 0.00 C +ATOM 256 O ASN A 18 -5.915 -2.895 6.951 1.00 0.00 O +ATOM 257 CB ASN A 18 -4.052 -4.225 8.526 1.00 0.00 C +ATOM 258 CG ASN A 18 -3.520 -5.340 9.429 1.00 0.00 C +ATOM 259 OD1 ASN A 18 -2.885 -6.264 8.962 1.00 0.00 O +ATOM 260 ND2 ASN A 18 -3.755 -5.292 10.711 1.00 0.00 N +ATOM 261 H ASN A 18 -2.467 -4.791 6.503 1.00 0.00 H +ATOM 262 HA ASN A 18 -5.159 -5.658 7.376 1.00 0.00 H +ATOM 263 HB2 ASN A 18 -3.269 -3.500 8.350 1.00 0.00 H +ATOM 264 HB3 ASN A 18 -4.888 -3.743 9.008 1.00 0.00 H +ATOM 265 HD21 ASN A 18 -4.269 -4.548 11.089 1.00 0.00 H +ATOM 266 HD22 ASN A 18 -3.417 -6.000 11.299 1.00 0.00 H +ATOM 267 N TYR A 19 -5.175 -3.797 5.078 1.00 0.00 N +ATOM 268 CA TYR A 19 -5.891 -2.788 4.241 1.00 0.00 C +ATOM 269 C TYR A 19 -6.961 -3.475 3.382 1.00 0.00 C +ATOM 270 O TYR A 19 -7.425 -2.920 2.405 1.00 0.00 O +ATOM 271 CB TYR A 19 -4.887 -2.083 3.325 1.00 0.00 C +ATOM 272 CG TYR A 19 -4.355 -0.852 4.015 1.00 0.00 C +ATOM 273 CD1 TYR A 19 -3.606 -0.980 5.190 1.00 0.00 C +ATOM 274 CD2 TYR A 19 -4.610 0.417 3.481 1.00 0.00 C +ATOM 275 CE1 TYR A 19 -3.110 0.161 5.831 1.00 0.00 C +ATOM 276 CE2 TYR A 19 -4.113 1.559 4.122 1.00 0.00 C +ATOM 277 CZ TYR A 19 -3.364 1.431 5.298 1.00 0.00 C +ATOM 278 OH TYR A 19 -2.875 2.556 5.932 1.00 0.00 O +ATOM 279 H TYR A 19 -4.645 -4.494 4.648 1.00 0.00 H +ATOM 280 HA TYR A 19 -6.361 -2.057 4.883 1.00 0.00 H +ATOM 281 HB2 TYR A 19 -4.069 -2.755 3.104 1.00 0.00 H +ATOM 282 HB3 TYR A 19 -5.376 -1.797 2.406 1.00 0.00 H +ATOM 283 HD1 TYR A 19 -3.411 -1.960 5.601 1.00 0.00 H +ATOM 284 HD2 TYR A 19 -5.188 0.516 2.575 1.00 0.00 H +ATOM 285 HE1 TYR A 19 -2.530 0.063 6.737 1.00 0.00 H +ATOM 286 HE2 TYR A 19 -4.311 2.538 3.711 1.00 0.00 H +ATOM 287 HH TYR A 19 -3.616 3.139 6.112 1.00 0.00 H +ATOM 288 N CYS A 20 -7.358 -4.675 3.737 1.00 0.00 N +ATOM 289 CA CYS A 20 -8.400 -5.388 2.941 1.00 0.00 C +ATOM 290 C CYS A 20 -9.698 -5.458 3.749 1.00 0.00 C +ATOM 291 O CYS A 20 -10.475 -6.385 3.612 1.00 0.00 O +ATOM 292 CB CYS A 20 -7.918 -6.803 2.621 1.00 0.00 C +ATOM 293 SG CYS A 20 -6.921 -6.774 1.111 1.00 0.00 S +ATOM 294 H CYS A 20 -6.975 -5.105 4.529 1.00 0.00 H +ATOM 295 HA CYS A 20 -8.579 -4.852 2.019 1.00 0.00 H +ATOM 296 HB2 CYS A 20 -7.319 -7.173 3.442 1.00 0.00 H +ATOM 297 HB3 CYS A 20 -8.771 -7.451 2.478 1.00 0.00 H +ATOM 298 N ASN A 21 -9.935 -4.484 4.592 1.00 0.00 N +ATOM 299 CA ASN A 21 -11.180 -4.484 5.416 1.00 0.00 C +ATOM 300 C ASN A 21 -12.386 -4.199 4.518 1.00 0.00 C +ATOM 301 O ASN A 21 -12.208 -4.169 3.312 1.00 0.00 O +ATOM 302 CB ASN A 21 -11.079 -3.401 6.494 1.00 0.00 C +ATOM 303 CG ASN A 21 -10.412 -3.982 7.743 1.00 0.00 C +ATOM 304 OD1 ASN A 21 -9.202 -4.073 7.813 1.00 0.00 O +ATOM 305 ND2 ASN A 21 -11.155 -4.379 8.739 1.00 0.00 N +ATOM 306 OXT ASN A 21 -13.466 -4.014 5.054 1.00 0.00 O +ATOM 307 H ASN A 21 -9.293 -3.750 4.682 1.00 0.00 H +ATOM 308 HA ASN A 21 -11.301 -5.449 5.885 1.00 0.00 H +ATOM 309 HB2 ASN A 21 -10.490 -2.576 6.121 1.00 0.00 H +ATOM 310 HB3 ASN A 21 -12.069 -3.052 6.747 1.00 0.00 H +ATOM 311 HD21 ASN A 21 -12.131 -4.305 8.683 1.00 0.00 H +ATOM 312 HD22 ASN A 21 -10.738 -4.752 9.544 1.00 0.00 H +ATOM 314 N PHE B 1 6.204 -3.216 1.503 1.00 0.00 N +ATOM 315 CA PHE B 1 5.535 -4.200 0.603 1.00 0.00 C +ATOM 316 C PHE B 1 6.517 -5.328 0.262 1.00 0.00 C +ATOM 317 O PHE B 1 6.385 -6.438 0.742 1.00 0.00 O +ATOM 318 CB PHE B 1 5.076 -3.487 -0.674 1.00 0.00 C +ATOM 319 CG PHE B 1 4.233 -4.425 -1.503 1.00 0.00 C +ATOM 320 CD1 PHE B 1 2.911 -4.689 -1.135 1.00 0.00 C +ATOM 321 CD2 PHE B 1 4.779 -5.033 -2.635 1.00 0.00 C +ATOM 322 CE1 PHE B 1 2.134 -5.566 -1.901 1.00 0.00 C +ATOM 323 CE2 PHE B 1 4.005 -5.909 -3.402 1.00 0.00 C +ATOM 324 CZ PHE B 1 2.683 -6.176 -3.035 1.00 0.00 C +ATOM 325 H1 PHE B 1 7.064 -2.856 1.045 1.00 0.00 H +ATOM 326 H2 PHE B 1 5.555 -2.426 1.695 1.00 0.00 H +ATOM 327 H3 PHE B 1 6.459 -3.681 2.397 1.00 0.00 H +ATOM 328 HA PHE B 1 4.675 -4.617 1.108 1.00 0.00 H +ATOM 329 HB2 PHE B 1 4.491 -2.619 -0.409 1.00 0.00 H +ATOM 330 HB3 PHE B 1 5.937 -3.177 -1.245 1.00 0.00 H +ATOM 331 HD1 PHE B 1 2.488 -4.216 -0.262 1.00 0.00 H +ATOM 332 HD2 PHE B 1 5.796 -4.822 -2.919 1.00 0.00 H +ATOM 333 HE1 PHE B 1 1.113 -5.771 -1.619 1.00 0.00 H +ATOM 334 HE2 PHE B 1 4.428 -6.379 -4.277 1.00 0.00 H +ATOM 335 HZ PHE B 1 2.087 -6.854 -3.624 1.00 0.00 H +ATOM 336 N VAL B 2 7.513 -5.051 -0.545 1.00 0.00 N +ATOM 337 CA VAL B 2 8.515 -6.109 -0.895 1.00 0.00 C +ATOM 338 C VAL B 2 9.762 -5.478 -1.538 1.00 0.00 C +ATOM 339 O VAL B 2 10.866 -5.950 -1.337 1.00 0.00 O +ATOM 340 CB VAL B 2 7.884 -7.159 -1.830 1.00 0.00 C +ATOM 341 CG1 VAL B 2 7.510 -6.541 -3.184 1.00 0.00 C +ATOM 342 CG2 VAL B 2 8.878 -8.307 -2.043 1.00 0.00 C +ATOM 343 H VAL B 2 7.609 -4.148 -0.901 1.00 0.00 H +ATOM 344 HA VAL B 2 8.816 -6.600 0.017 1.00 0.00 H +ATOM 345 HB VAL B 2 6.990 -7.549 -1.365 1.00 0.00 H +ATOM 346 HG11 VAL B 2 7.687 -5.479 -3.159 1.00 0.00 H +ATOM 347 HG12 VAL B 2 8.105 -6.986 -3.966 1.00 0.00 H +ATOM 348 HG13 VAL B 2 6.463 -6.724 -3.382 1.00 0.00 H +ATOM 349 HG21 VAL B 2 9.886 -7.941 -1.910 1.00 0.00 H +ATOM 350 HG22 VAL B 2 8.681 -9.091 -1.326 1.00 0.00 H +ATOM 351 HG23 VAL B 2 8.767 -8.697 -3.044 1.00 0.00 H +ATOM 352 N ASN B 3 9.609 -4.408 -2.285 1.00 0.00 N +ATOM 353 CA ASN B 3 10.798 -3.749 -2.907 1.00 0.00 C +ATOM 354 C ASN B 3 10.463 -2.291 -3.237 1.00 0.00 C +ATOM 355 O ASN B 3 11.262 -1.401 -3.012 1.00 0.00 O +ATOM 356 CB ASN B 3 11.216 -4.492 -4.181 1.00 0.00 C +ATOM 357 CG ASN B 3 10.057 -4.536 -5.183 1.00 0.00 C +ATOM 358 OD1 ASN B 3 9.718 -3.538 -5.787 1.00 0.00 O +ATOM 359 ND2 ASN B 3 9.447 -5.667 -5.403 1.00 0.00 N +ATOM 360 H ASN B 3 8.720 -4.029 -2.423 1.00 0.00 H +ATOM 361 HA ASN B 3 11.617 -3.769 -2.202 1.00 0.00 H +ATOM 362 HB2 ASN B 3 12.055 -3.983 -4.629 1.00 0.00 H +ATOM 363 HB3 ASN B 3 11.504 -5.500 -3.925 1.00 0.00 H +ATOM 364 HD21 ASN B 3 9.733 -6.477 -4.932 1.00 0.00 H +ATOM 365 HD22 ASN B 3 8.703 -5.707 -6.039 1.00 0.00 H +ATOM 366 N GLN B 4 9.290 -2.040 -3.761 1.00 0.00 N +ATOM 367 CA GLN B 4 8.901 -0.641 -4.098 1.00 0.00 C +ATOM 368 C GLN B 4 8.539 0.100 -2.809 1.00 0.00 C +ATOM 369 O GLN B 4 8.242 -0.510 -1.799 1.00 0.00 O +ATOM 370 CB GLN B 4 7.691 -0.657 -5.039 1.00 0.00 C +ATOM 371 CG GLN B 4 8.161 -0.469 -6.484 1.00 0.00 C +ATOM 372 CD GLN B 4 7.031 -0.846 -7.444 1.00 0.00 C +ATOM 373 OE1 GLN B 4 5.871 -0.800 -7.085 1.00 0.00 O +ATOM 374 NE2 GLN B 4 7.323 -1.218 -8.661 1.00 0.00 N +ATOM 375 H GLN B 4 8.663 -2.772 -3.930 1.00 0.00 H +ATOM 376 HA GLN B 4 9.729 -0.141 -4.579 1.00 0.00 H +ATOM 377 HB2 GLN B 4 7.178 -1.604 -4.947 1.00 0.00 H +ATOM 378 HB3 GLN B 4 7.017 0.145 -4.776 1.00 0.00 H +ATOM 379 HG2 GLN B 4 8.438 0.564 -6.641 1.00 0.00 H +ATOM 380 HG3 GLN B 4 9.015 -1.103 -6.670 1.00 0.00 H +ATOM 381 HE21 GLN B 4 8.257 -1.254 -8.952 1.00 0.00 H +ATOM 382 HE22 GLN B 4 6.605 -1.461 -9.285 1.00 0.00 H +ATOM 383 N HIS B 5 8.564 1.407 -2.838 1.00 0.00 N +ATOM 384 CA HIS B 5 8.226 2.189 -1.616 1.00 0.00 C +ATOM 385 C HIS B 5 6.707 2.331 -1.504 1.00 0.00 C +ATOM 386 O HIS B 5 5.969 1.803 -2.314 1.00 0.00 O +ATOM 387 CB HIS B 5 8.887 3.565 -1.698 1.00 0.00 C +ATOM 388 CG HIS B 5 10.355 3.410 -1.413 1.00 0.00 C +ATOM 389 ND1 HIS B 5 11.265 3.037 -2.390 1.00 0.00 N +ATOM 390 CD2 HIS B 5 11.082 3.546 -0.258 1.00 0.00 C +ATOM 391 CE1 HIS B 5 12.476 2.961 -1.806 1.00 0.00 C +ATOM 392 NE2 HIS B 5 12.420 3.263 -0.507 1.00 0.00 N +ATOM 393 H HIS B 5 8.810 1.873 -3.664 1.00 0.00 H +ATOM 394 HA HIS B 5 8.598 1.667 -0.747 1.00 0.00 H +ATOM 395 HB2 HIS B 5 8.748 3.975 -2.689 1.00 0.00 H +ATOM 396 HB3 HIS B 5 8.444 4.225 -0.967 1.00 0.00 H +ATOM 397 HD1 HIS B 5 11.064 2.862 -3.332 1.00 0.00 H +ATOM 398 HD2 HIS B 5 10.677 3.820 0.700 1.00 0.00 H +ATOM 399 HE1 HIS B 5 13.379 2.677 -2.320 1.00 0.00 H +ATOM 400 N LEU B 6 6.236 3.019 -0.495 1.00 0.00 N +ATOM 401 CA LEU B 6 4.763 3.172 -0.313 1.00 0.00 C +ATOM 402 C LEU B 6 4.393 4.652 -0.168 1.00 0.00 C +ATOM 403 O LEU B 6 3.732 5.045 0.776 1.00 0.00 O +ATOM 404 CB LEU B 6 4.342 2.411 0.944 1.00 0.00 C +ATOM 405 CG LEU B 6 4.712 0.937 0.793 1.00 0.00 C +ATOM 406 CD1 LEU B 6 4.670 0.258 2.164 1.00 0.00 C +ATOM 407 CD2 LEU B 6 3.716 0.255 -0.149 1.00 0.00 C +ATOM 408 H LEU B 6 6.852 3.420 0.153 1.00 0.00 H +ATOM 409 HA LEU B 6 4.252 2.757 -1.170 1.00 0.00 H +ATOM 410 HB2 LEU B 6 4.853 2.823 1.801 1.00 0.00 H +ATOM 411 HB3 LEU B 6 3.277 2.501 1.082 1.00 0.00 H +ATOM 412 HG LEU B 6 5.709 0.860 0.385 1.00 0.00 H +ATOM 413 HD11 LEU B 6 4.833 0.995 2.938 1.00 0.00 H +ATOM 414 HD12 LEU B 6 3.706 -0.206 2.306 1.00 0.00 H +ATOM 415 HD13 LEU B 6 5.443 -0.494 2.216 1.00 0.00 H +ATOM 416 HD21 LEU B 6 3.368 0.968 -0.881 1.00 0.00 H +ATOM 417 HD22 LEU B 6 4.201 -0.569 -0.650 1.00 0.00 H +ATOM 418 HD23 LEU B 6 2.877 -0.113 0.422 1.00 0.00 H +ATOM 419 N CYS B 7 4.804 5.472 -1.101 1.00 0.00 N +ATOM 420 CA CYS B 7 4.467 6.923 -1.021 1.00 0.00 C +ATOM 421 C CYS B 7 4.012 7.410 -2.398 1.00 0.00 C +ATOM 422 O CYS B 7 4.639 7.134 -3.404 1.00 0.00 O +ATOM 423 CB CYS B 7 5.703 7.710 -0.552 1.00 0.00 C +ATOM 424 SG CYS B 7 5.284 8.761 0.869 1.00 0.00 S +ATOM 425 H CYS B 7 5.327 5.132 -1.856 1.00 0.00 H +ATOM 426 HA CYS B 7 3.659 7.056 -0.322 1.00 0.00 H +ATOM 427 HB2 CYS B 7 6.477 7.015 -0.265 1.00 0.00 H +ATOM 428 HB3 CYS B 7 6.064 8.329 -1.361 1.00 0.00 H +ATOM 429 N GLY B 8 2.912 8.118 -2.445 1.00 0.00 N +ATOM 430 CA GLY B 8 2.386 8.614 -3.749 1.00 0.00 C +ATOM 431 C GLY B 8 1.395 7.587 -4.297 1.00 0.00 C +ATOM 432 O GLY B 8 0.592 7.043 -3.563 1.00 0.00 O +ATOM 433 H GLY B 8 2.423 8.310 -1.618 1.00 0.00 H +ATOM 434 HA2 GLY B 8 1.888 9.563 -3.602 1.00 0.00 H +ATOM 435 HA3 GLY B 8 3.200 8.735 -4.447 1.00 0.00 H +ATOM 436 N SER B 9 1.454 7.306 -5.574 1.00 0.00 N +ATOM 437 CA SER B 9 0.524 6.296 -6.161 1.00 0.00 C +ATOM 438 C SER B 9 1.105 4.882 -5.993 1.00 0.00 C +ATOM 439 O SER B 9 0.532 3.917 -6.462 1.00 0.00 O +ATOM 440 CB SER B 9 0.324 6.591 -7.648 1.00 0.00 C +ATOM 441 OG SER B 9 1.492 6.212 -8.364 1.00 0.00 O +ATOM 442 H SER B 9 2.118 7.749 -6.142 1.00 0.00 H +ATOM 443 HA SER B 9 -0.431 6.351 -5.656 1.00 0.00 H +ATOM 444 HB2 SER B 9 -0.517 6.028 -8.018 1.00 0.00 H +ATOM 445 HB3 SER B 9 0.134 7.648 -7.782 1.00 0.00 H +ATOM 446 HG SER B 9 1.887 7.006 -8.731 1.00 0.00 H +ATOM 447 N HIS B 10 2.233 4.746 -5.327 1.00 0.00 N +ATOM 448 CA HIS B 10 2.834 3.394 -5.131 1.00 0.00 C +ATOM 449 C HIS B 10 2.058 2.652 -4.047 1.00 0.00 C +ATOM 450 O HIS B 10 1.896 1.448 -4.099 1.00 0.00 O +ATOM 451 CB HIS B 10 4.295 3.545 -4.701 1.00 0.00 C +ATOM 452 CG HIS B 10 5.063 4.259 -5.778 1.00 0.00 C +ATOM 453 ND1 HIS B 10 6.168 5.049 -5.498 1.00 0.00 N +ATOM 454 CD2 HIS B 10 4.898 4.315 -7.140 1.00 0.00 C +ATOM 455 CE1 HIS B 10 6.620 5.541 -6.665 1.00 0.00 C +ATOM 456 NE2 HIS B 10 5.883 5.125 -7.697 1.00 0.00 N +ATOM 457 H HIS B 10 2.681 5.530 -4.951 1.00 0.00 H +ATOM 458 HA HIS B 10 2.783 2.838 -6.055 1.00 0.00 H +ATOM 459 HB2 HIS B 10 4.344 4.116 -3.784 1.00 0.00 H +ATOM 460 HB3 HIS B 10 4.725 2.568 -4.541 1.00 0.00 H +ATOM 461 HD1 HIS B 10 6.550 5.216 -4.611 1.00 0.00 H +ATOM 462 HD2 HIS B 10 4.123 3.807 -7.695 1.00 0.00 H +ATOM 463 HE1 HIS B 10 7.475 6.195 -6.754 1.00 0.00 H +ATOM 464 N LEU B 11 1.576 3.367 -3.064 1.00 0.00 N +ATOM 465 CA LEU B 11 0.803 2.719 -1.968 1.00 0.00 C +ATOM 466 C LEU B 11 -0.505 2.174 -2.539 1.00 0.00 C +ATOM 467 O LEU B 11 -0.837 1.025 -2.342 1.00 0.00 O +ATOM 468 CB LEU B 11 0.519 3.758 -0.863 1.00 0.00 C +ATOM 469 CG LEU B 11 -0.149 3.128 0.383 1.00 0.00 C +ATOM 470 CD1 LEU B 11 -1.625 2.843 0.105 1.00 0.00 C +ATOM 471 CD2 LEU B 11 0.553 1.823 0.787 1.00 0.00 C +ATOM 472 H LEU B 11 1.720 4.337 -3.050 1.00 0.00 H +ATOM 473 HA LEU B 11 1.382 1.904 -1.560 1.00 0.00 H +ATOM 474 HB2 LEU B 11 1.451 4.212 -0.564 1.00 0.00 H +ATOM 475 HB3 LEU B 11 -0.131 4.524 -1.261 1.00 0.00 H +ATOM 476 HG LEU B 11 -0.082 3.831 1.203 1.00 0.00 H +ATOM 477 HD11 LEU B 11 -1.991 3.534 -0.641 1.00 0.00 H +ATOM 478 HD12 LEU B 11 -1.735 1.832 -0.257 1.00 0.00 H +ATOM 479 HD13 LEU B 11 -2.193 2.962 1.016 1.00 0.00 H +ATOM 480 HD21 LEU B 11 1.559 1.821 0.397 1.00 0.00 H +ATOM 481 HD22 LEU B 11 0.584 1.750 1.864 1.00 0.00 H +ATOM 482 HD23 LEU B 11 0.010 0.982 0.384 1.00 0.00 H +ATOM 483 N VAL B 12 -1.248 2.992 -3.243 1.00 0.00 N +ATOM 484 CA VAL B 12 -2.548 2.531 -3.831 1.00 0.00 C +ATOM 485 C VAL B 12 -2.323 1.287 -4.704 1.00 0.00 C +ATOM 486 O VAL B 12 -3.026 0.297 -4.584 1.00 0.00 O +ATOM 487 CB VAL B 12 -3.151 3.652 -4.688 1.00 0.00 C +ATOM 488 CG1 VAL B 12 -4.588 3.284 -5.065 1.00 0.00 C +ATOM 489 CG2 VAL B 12 -3.159 4.966 -3.898 1.00 0.00 C +ATOM 490 H VAL B 12 -0.952 3.916 -3.384 1.00 0.00 H +ATOM 491 HA VAL B 12 -3.232 2.286 -3.031 1.00 0.00 H +ATOM 492 HB VAL B 12 -2.561 3.775 -5.587 1.00 0.00 H +ATOM 493 HG11 VAL B 12 -5.024 2.683 -4.279 1.00 0.00 H +ATOM 494 HG12 VAL B 12 -5.169 4.186 -5.190 1.00 0.00 H +ATOM 495 HG13 VAL B 12 -4.586 2.725 -5.988 1.00 0.00 H +ATOM 496 HG21 VAL B 12 -3.261 4.753 -2.845 1.00 0.00 H +ATOM 497 HG22 VAL B 12 -2.232 5.494 -4.070 1.00 0.00 H +ATOM 498 HG23 VAL B 12 -3.987 5.577 -4.225 1.00 0.00 H +ATOM 499 N GLU B 13 -1.346 1.330 -5.577 1.00 0.00 N +ATOM 500 CA GLU B 13 -1.066 0.154 -6.459 1.00 0.00 C +ATOM 501 C GLU B 13 -0.715 -1.060 -5.596 1.00 0.00 C +ATOM 502 O GLU B 13 -0.967 -2.193 -5.967 1.00 0.00 O +ATOM 503 CB GLU B 13 0.110 0.480 -7.384 1.00 0.00 C +ATOM 504 CG GLU B 13 0.115 -0.493 -8.566 1.00 0.00 C +ATOM 505 CD GLU B 13 1.472 -0.434 -9.270 1.00 0.00 C +ATOM 506 OE1 GLU B 13 2.380 -1.114 -8.821 1.00 0.00 O +ATOM 507 OE2 GLU B 13 1.580 0.288 -10.248 1.00 0.00 O +ATOM 508 H GLU B 13 -0.795 2.136 -5.650 1.00 0.00 H +ATOM 509 HA GLU B 13 -1.940 -0.066 -7.052 1.00 0.00 H +ATOM 510 HB2 GLU B 13 0.013 1.491 -7.748 1.00 0.00 H +ATOM 511 HB3 GLU B 13 1.036 0.381 -6.837 1.00 0.00 H +ATOM 512 HG2 GLU B 13 -0.061 -1.497 -8.208 1.00 0.00 H +ATOM 513 HG3 GLU B 13 -0.662 -0.216 -9.263 1.00 0.00 H +ATOM 514 N ALA B 14 -0.136 -0.830 -4.446 1.00 0.00 N +ATOM 515 CA ALA B 14 0.236 -1.958 -3.546 1.00 0.00 C +ATOM 516 C ALA B 14 -1.030 -2.561 -2.935 1.00 0.00 C +ATOM 517 O ALA B 14 -1.097 -3.749 -2.679 1.00 0.00 O +ATOM 518 CB ALA B 14 1.147 -1.440 -2.433 1.00 0.00 C +ATOM 519 H ALA B 14 0.054 0.092 -4.172 1.00 0.00 H +ATOM 520 HA ALA B 14 0.756 -2.714 -4.115 1.00 0.00 H +ATOM 521 HB1 ALA B 14 1.703 -0.586 -2.793 1.00 0.00 H +ATOM 522 HB2 ALA B 14 0.548 -1.148 -1.584 1.00 0.00 H +ATOM 523 HB3 ALA B 14 1.834 -2.219 -2.139 1.00 0.00 H +ATOM 524 N LEU B 15 -2.039 -1.753 -2.710 1.00 0.00 N +ATOM 525 CA LEU B 15 -3.305 -2.285 -2.126 1.00 0.00 C +ATOM 526 C LEU B 15 -3.937 -3.241 -3.136 1.00 0.00 C +ATOM 527 O LEU B 15 -4.432 -4.295 -2.784 1.00 0.00 O +ATOM 528 CB LEU B 15 -4.283 -1.142 -1.831 1.00 0.00 C +ATOM 529 CG LEU B 15 -3.596 -0.030 -1.028 1.00 0.00 C +ATOM 530 CD1 LEU B 15 -4.607 1.072 -0.726 1.00 0.00 C +ATOM 531 CD2 LEU B 15 -3.057 -0.586 0.291 1.00 0.00 C +ATOM 532 H LEU B 15 -1.964 -0.804 -2.936 1.00 0.00 H +ATOM 533 HA LEU B 15 -3.084 -2.820 -1.213 1.00 0.00 H +ATOM 534 HB2 LEU B 15 -4.648 -0.734 -2.762 1.00 0.00 H +ATOM 535 HB3 LEU B 15 -5.113 -1.526 -1.261 1.00 0.00 H +ATOM 536 HG LEU B 15 -2.787 0.382 -1.605 1.00 0.00 H +ATOM 537 HD11 LEU B 15 -5.484 0.639 -0.268 1.00 0.00 H +ATOM 538 HD12 LEU B 15 -4.166 1.789 -0.049 1.00 0.00 H +ATOM 539 HD13 LEU B 15 -4.887 1.567 -1.645 1.00 0.00 H +ATOM 540 HD21 LEU B 15 -3.674 -1.412 0.614 1.00 0.00 H +ATOM 541 HD22 LEU B 15 -2.043 -0.928 0.149 1.00 0.00 H +ATOM 542 HD23 LEU B 15 -3.074 0.192 1.042 1.00 0.00 H +ATOM 543 N GLU B 16 -3.909 -2.879 -4.395 1.00 0.00 N +ATOM 544 CA GLU B 16 -4.491 -3.764 -5.446 1.00 0.00 C +ATOM 545 C GLU B 16 -3.700 -5.073 -5.483 1.00 0.00 C +ATOM 546 O GLU B 16 -4.257 -6.141 -5.662 1.00 0.00 O +ATOM 547 CB GLU B 16 -4.396 -3.070 -6.807 1.00 0.00 C +ATOM 548 CG GLU B 16 -5.574 -3.498 -7.684 1.00 0.00 C +ATOM 549 CD GLU B 16 -5.163 -3.437 -9.157 1.00 0.00 C +ATOM 550 OE1 GLU B 16 -5.199 -2.355 -9.718 1.00 0.00 O +ATOM 551 OE2 GLU B 16 -4.819 -4.475 -9.698 1.00 0.00 O +ATOM 552 H GLU B 16 -3.492 -2.025 -4.648 1.00 0.00 H +ATOM 553 HA GLU B 16 -5.526 -3.971 -5.215 1.00 0.00 H +ATOM 554 HB2 GLU B 16 -4.421 -1.999 -6.666 1.00 0.00 H +ATOM 555 HB3 GLU B 16 -3.472 -3.350 -7.289 1.00 0.00 H +ATOM 556 HG2 GLU B 16 -5.863 -4.507 -7.431 1.00 0.00 H +ATOM 557 HG3 GLU B 16 -6.408 -2.832 -7.518 1.00 0.00 H +ATOM 558 N LEU B 17 -2.407 -4.992 -5.304 1.00 0.00 N +ATOM 559 CA LEU B 17 -1.563 -6.223 -5.314 1.00 0.00 C +ATOM 560 C LEU B 17 -1.952 -7.112 -4.126 1.00 0.00 C +ATOM 561 O LEU B 17 -1.824 -8.320 -4.177 1.00 0.00 O +ATOM 562 CB LEU B 17 -0.084 -5.822 -5.199 1.00 0.00 C +ATOM 563 CG LEU B 17 0.750 -6.593 -6.230 1.00 0.00 C +ATOM 564 CD1 LEU B 17 0.316 -6.188 -7.642 1.00 0.00 C +ATOM 565 CD2 LEU B 17 2.238 -6.267 -6.035 1.00 0.00 C +ATOM 566 H LEU B 17 -1.989 -4.117 -5.156 1.00 0.00 H +ATOM 567 HA LEU B 17 -1.723 -6.762 -6.236 1.00 0.00 H +ATOM 568 HB2 LEU B 17 0.012 -4.762 -5.384 1.00 0.00 H +ATOM 569 HB3 LEU B 17 0.278 -6.046 -4.207 1.00 0.00 H +ATOM 570 HG LEU B 17 0.591 -7.654 -6.096 1.00 0.00 H +ATOM 571 HD11 LEU B 17 -0.008 -5.159 -7.638 1.00 0.00 H +ATOM 572 HD12 LEU B 17 1.150 -6.302 -8.320 1.00 0.00 H +ATOM 573 HD13 LEU B 17 -0.498 -6.821 -7.963 1.00 0.00 H +ATOM 574 HD21 LEU B 17 2.340 -5.361 -5.453 1.00 0.00 H +ATOM 575 HD22 LEU B 17 2.720 -7.081 -5.513 1.00 0.00 H +ATOM 576 HD23 LEU B 17 2.709 -6.130 -6.997 1.00 0.00 H +ATOM 577 N VAL B 18 -2.426 -6.517 -3.058 1.00 0.00 N +ATOM 578 CA VAL B 18 -2.825 -7.313 -1.861 1.00 0.00 C +ATOM 579 C VAL B 18 -4.135 -8.056 -2.145 1.00 0.00 C +ATOM 580 O VAL B 18 -4.157 -9.267 -2.260 1.00 0.00 O +ATOM 581 CB VAL B 18 -3.016 -6.369 -0.668 1.00 0.00 C +ATOM 582 CG1 VAL B 18 -3.319 -7.185 0.592 1.00 0.00 C +ATOM 583 CG2 VAL B 18 -1.736 -5.549 -0.453 1.00 0.00 C +ATOM 584 H VAL B 18 -2.516 -5.541 -3.044 1.00 0.00 H +ATOM 585 HA VAL B 18 -2.049 -8.029 -1.631 1.00 0.00 H +ATOM 586 HB VAL B 18 -3.840 -5.701 -0.867 1.00 0.00 H +ATOM 587 HG11 VAL B 18 -2.557 -7.939 0.724 1.00 0.00 H +ATOM 588 HG12 VAL B 18 -3.330 -6.530 1.451 1.00 0.00 H +ATOM 589 HG13 VAL B 18 -4.284 -7.661 0.490 1.00 0.00 H +ATOM 590 HG21 VAL B 18 -1.122 -5.594 -1.341 1.00 0.00 H +ATOM 591 HG22 VAL B 18 -1.997 -4.522 -0.249 1.00 0.00 H +ATOM 592 HG23 VAL B 18 -1.185 -5.950 0.385 1.00 0.00 H +ATOM 593 N CYS B 19 -5.226 -7.338 -2.256 1.00 0.00 N +ATOM 594 CA CYS B 19 -6.536 -7.997 -2.528 1.00 0.00 C +ATOM 595 C CYS B 19 -6.807 -7.981 -4.035 1.00 0.00 C +ATOM 596 O CYS B 19 -6.656 -8.983 -4.708 1.00 0.00 O +ATOM 597 CB CYS B 19 -7.650 -7.248 -1.790 1.00 0.00 C +ATOM 598 SG CYS B 19 -7.908 -7.994 -0.160 1.00 0.00 S +ATOM 599 H CYS B 19 -5.181 -6.364 -2.157 1.00 0.00 H +ATOM 600 HA CYS B 19 -6.500 -9.021 -2.183 1.00 0.00 H +ATOM 601 HB2 CYS B 19 -7.368 -6.212 -1.670 1.00 0.00 H +ATOM 602 HB3 CYS B 19 -8.564 -7.307 -2.360 1.00 0.00 H +ATOM 603 N GLY B 20 -7.199 -6.850 -4.569 1.00 0.00 N +ATOM 604 CA GLY B 20 -7.472 -6.768 -6.035 1.00 0.00 C +ATOM 605 C GLY B 20 -8.930 -6.363 -6.296 1.00 0.00 C +ATOM 606 O GLY B 20 -9.285 -6.016 -7.407 1.00 0.00 O +ATOM 607 H GLY B 20 -7.308 -6.056 -4.006 1.00 0.00 H +ATOM 608 HA2 GLY B 20 -6.814 -6.034 -6.479 1.00 0.00 H +ATOM 609 HA3 GLY B 20 -7.286 -7.732 -6.486 1.00 0.00 H +ATOM 610 N GLU B 21 -9.778 -6.403 -5.293 1.00 0.00 N +ATOM 611 CA GLU B 21 -11.205 -6.020 -5.504 1.00 0.00 C +ATOM 612 C GLU B 21 -11.361 -4.511 -5.317 1.00 0.00 C +ATOM 613 O GLU B 21 -10.701 -3.908 -4.493 1.00 0.00 O +ATOM 614 CB GLU B 21 -12.086 -6.748 -4.489 1.00 0.00 C +ATOM 615 CG GLU B 21 -12.435 -8.141 -5.018 1.00 0.00 C +ATOM 616 CD GLU B 21 -13.264 -8.892 -3.973 1.00 0.00 C +ATOM 617 OE1 GLU B 21 -12.672 -9.420 -3.046 1.00 0.00 O +ATOM 618 OE2 GLU B 21 -14.475 -8.924 -4.117 1.00 0.00 O +ATOM 619 H GLU B 21 -9.479 -6.686 -4.405 1.00 0.00 H +ATOM 620 HA GLU B 21 -11.507 -6.293 -6.505 1.00 0.00 H +ATOM 621 HB2 GLU B 21 -11.554 -6.842 -3.553 1.00 0.00 H +ATOM 622 HB3 GLU B 21 -12.994 -6.186 -4.333 1.00 0.00 H +ATOM 623 HG2 GLU B 21 -13.007 -8.046 -5.931 1.00 0.00 H +ATOM 624 HG3 GLU B 21 -11.528 -8.689 -5.217 1.00 0.00 H +ATOM 625 N ARG B 22 -12.236 -3.900 -6.076 1.00 0.00 N +ATOM 626 CA ARG B 22 -12.445 -2.429 -5.945 1.00 0.00 C +ATOM 627 C ARG B 22 -13.277 -2.151 -4.693 1.00 0.00 C +ATOM 628 O ARG B 22 -14.060 -2.977 -4.264 1.00 0.00 O +ATOM 629 CB ARG B 22 -13.184 -1.902 -7.175 1.00 0.00 C +ATOM 630 CG ARG B 22 -12.302 -2.077 -8.414 1.00 0.00 C +ATOM 631 CD ARG B 22 -13.145 -1.890 -9.678 1.00 0.00 C +ATOM 632 NE ARG B 22 -12.964 -0.499 -10.196 1.00 0.00 N +ATOM 633 CZ ARG B 22 -13.344 -0.164 -11.414 1.00 0.00 C +ATOM 634 NH1 ARG B 22 -13.894 -1.037 -12.228 1.00 0.00 N +ATOM 635 NH2 ARG B 22 -13.168 1.062 -11.822 1.00 0.00 N +ATOM 636 H ARG B 22 -12.757 -4.410 -6.730 1.00 0.00 H +ATOM 637 HA ARG B 22 -11.489 -1.937 -5.858 1.00 0.00 H +ATOM 638 HB2 ARG B 22 -14.104 -2.453 -7.307 1.00 0.00 H +ATOM 639 HB3 ARG B 22 -13.408 -0.855 -7.040 1.00 0.00 H +ATOM 640 HG2 ARG B 22 -11.510 -1.343 -8.396 1.00 0.00 H +ATOM 641 HG3 ARG B 22 -11.874 -3.068 -8.412 1.00 0.00 H +ATOM 642 HD2 ARG B 22 -12.827 -2.598 -10.430 1.00 0.00 H +ATOM 643 HD3 ARG B 22 -14.187 -2.055 -9.446 1.00 0.00 H +ATOM 644 HE ARG B 22 -12.557 0.179 -9.619 1.00 0.00 H +ATOM 645 HH11 ARG B 22 -14.036 -1.982 -11.936 1.00 0.00 H +ATOM 646 HH12 ARG B 22 -14.172 -0.754 -13.145 1.00 0.00 H +ATOM 647 HH21 ARG B 22 -12.749 1.736 -11.214 1.00 0.00 H +ATOM 648 HH22 ARG B 22 -13.451 1.329 -12.744 1.00 0.00 H +ATOM 649 N GLY B 23 -13.108 -0.996 -4.103 1.00 0.00 N +ATOM 650 CA GLY B 23 -13.881 -0.656 -2.870 1.00 0.00 C +ATOM 651 C GLY B 23 -13.552 -1.664 -1.763 1.00 0.00 C +ATOM 652 O GLY B 23 -14.344 -1.893 -0.867 1.00 0.00 O +ATOM 653 H GLY B 23 -12.466 -0.350 -4.468 1.00 0.00 H +ATOM 654 HA2 GLY B 23 -13.618 0.339 -2.543 1.00 0.00 H +ATOM 655 HA3 GLY B 23 -14.938 -0.697 -3.086 1.00 0.00 H +ATOM 656 N GLY B 24 -12.390 -2.266 -1.819 1.00 0.00 N +ATOM 657 CA GLY B 24 -11.998 -3.258 -0.776 1.00 0.00 C +ATOM 658 C GLY B 24 -10.872 -2.677 0.083 1.00 0.00 C +ATOM 659 O GLY B 24 -10.724 -3.022 1.241 1.00 0.00 O +ATOM 660 H GLY B 24 -11.770 -2.063 -2.551 1.00 0.00 H +ATOM 661 HA2 GLY B 24 -12.853 -3.480 -0.152 1.00 0.00 H +ATOM 662 HA3 GLY B 24 -11.652 -4.164 -1.252 1.00 0.00 H +ATOM 663 N PHE B 25 -10.078 -1.801 -0.479 1.00 0.00 N +ATOM 664 CA PHE B 25 -8.956 -1.192 0.292 1.00 0.00 C +ATOM 665 C PHE B 25 -8.975 0.327 0.111 1.00 0.00 C +ATOM 666 O PHE B 25 -9.881 0.877 -0.485 1.00 0.00 O +ATOM 667 CB PHE B 25 -7.625 -1.751 -0.218 1.00 0.00 C +ATOM 668 CG PHE B 25 -7.546 -1.603 -1.721 1.00 0.00 C +ATOM 669 CD1 PHE B 25 -7.142 -0.387 -2.289 1.00 0.00 C +ATOM 670 CD2 PHE B 25 -7.871 -2.684 -2.546 1.00 0.00 C +ATOM 671 CE1 PHE B 25 -7.064 -0.255 -3.679 1.00 0.00 C +ATOM 672 CE2 PHE B 25 -7.794 -2.553 -3.937 1.00 0.00 C +ATOM 673 CZ PHE B 25 -7.390 -1.339 -4.504 1.00 0.00 C +ATOM 674 H PHE B 25 -10.218 -1.544 -1.414 1.00 0.00 H +ATOM 675 HA PHE B 25 -9.068 -1.431 1.339 1.00 0.00 H +ATOM 676 HB2 PHE B 25 -6.810 -1.212 0.240 1.00 0.00 H +ATOM 677 HB3 PHE B 25 -7.553 -2.797 0.041 1.00 0.00 H +ATOM 678 HD1 PHE B 25 -6.890 0.449 -1.655 1.00 0.00 H +ATOM 679 HD2 PHE B 25 -8.183 -3.622 -2.109 1.00 0.00 H +ATOM 680 HE1 PHE B 25 -6.752 0.681 -4.117 1.00 0.00 H +ATOM 681 HE2 PHE B 25 -8.046 -3.389 -4.573 1.00 0.00 H +ATOM 682 HZ PHE B 25 -7.329 -1.236 -5.578 1.00 0.00 H +ATOM 683 N TYR B 26 -7.981 1.006 0.625 1.00 0.00 N +ATOM 684 CA TYR B 26 -7.931 2.493 0.492 1.00 0.00 C +ATOM 685 C TYR B 26 -7.858 2.872 -0.993 1.00 0.00 C +ATOM 686 O TYR B 26 -6.849 2.683 -1.646 1.00 0.00 O +ATOM 687 CB TYR B 26 -6.694 3.023 1.246 1.00 0.00 C +ATOM 688 CG TYR B 26 -6.501 4.514 1.015 1.00 0.00 C +ATOM 689 CD1 TYR B 26 -7.603 5.381 0.973 1.00 0.00 C +ATOM 690 CD2 TYR B 26 -5.207 5.021 0.846 1.00 0.00 C +ATOM 691 CE1 TYR B 26 -7.408 6.751 0.763 1.00 0.00 C +ATOM 692 CE2 TYR B 26 -5.013 6.391 0.637 1.00 0.00 C +ATOM 693 CZ TYR B 26 -6.113 7.255 0.595 1.00 0.00 C +ATOM 694 OH TYR B 26 -5.921 8.605 0.386 1.00 0.00 O +ATOM 695 H TYR B 26 -7.265 0.535 1.102 1.00 0.00 H +ATOM 696 HA TYR B 26 -8.823 2.919 0.925 1.00 0.00 H +ATOM 697 HB2 TYR B 26 -6.823 2.846 2.303 1.00 0.00 H +ATOM 698 HB3 TYR B 26 -5.818 2.495 0.904 1.00 0.00 H +ATOM 699 HD1 TYR B 26 -8.601 4.991 1.099 1.00 0.00 H +ATOM 700 HD2 TYR B 26 -4.358 4.353 0.877 1.00 0.00 H +ATOM 701 HE1 TYR B 26 -8.257 7.418 0.731 1.00 0.00 H +ATOM 702 HE2 TYR B 26 -4.015 6.782 0.506 1.00 0.00 H +ATOM 703 HH TYR B 26 -5.263 8.706 -0.307 1.00 0.00 H +ATOM 704 N THR B 27 -8.927 3.412 -1.520 1.00 0.00 N +ATOM 705 CA THR B 27 -8.943 3.816 -2.955 1.00 0.00 C +ATOM 706 C THR B 27 -9.298 5.308 -3.056 1.00 0.00 C +ATOM 707 O THR B 27 -10.458 5.645 -3.183 1.00 0.00 O +ATOM 708 CB THR B 27 -9.992 2.989 -3.704 1.00 0.00 C +ATOM 709 OG1 THR B 27 -11.250 3.133 -3.060 1.00 0.00 O +ATOM 710 CG2 THR B 27 -9.583 1.516 -3.703 1.00 0.00 C +ATOM 711 H THR B 27 -9.723 3.556 -0.967 1.00 0.00 H +ATOM 712 HA THR B 27 -7.969 3.644 -3.388 1.00 0.00 H +ATOM 713 HB THR B 27 -10.067 3.337 -4.723 1.00 0.00 H +ATOM 714 HG1 THR B 27 -11.161 2.813 -2.159 1.00 0.00 H +ATOM 715 HG21 THR B 27 -8.965 1.314 -2.840 1.00 0.00 H +ATOM 716 HG22 THR B 27 -10.467 0.897 -3.666 1.00 0.00 H +ATOM 717 HG23 THR B 27 -9.028 1.296 -4.603 1.00 0.00 H +ATOM 718 N PRO B 28 -8.297 6.170 -2.989 1.00 0.00 N +ATOM 719 CA PRO B 28 -8.497 7.638 -3.063 1.00 0.00 C +ATOM 720 C PRO B 28 -9.090 8.024 -4.423 1.00 0.00 C +ATOM 721 O PRO B 28 -8.374 8.348 -5.351 1.00 0.00 O +ATOM 722 CB PRO B 28 -7.107 8.268 -2.890 1.00 0.00 C +ATOM 723 CG PRO B 28 -6.086 7.121 -2.773 1.00 0.00 C +ATOM 724 CD PRO B 28 -6.862 5.801 -2.832 1.00 0.00 C +ATOM 725 HA PRO B 28 -9.147 7.965 -2.267 1.00 0.00 H +ATOM 726 HB2 PRO B 28 -6.870 8.885 -3.746 1.00 0.00 H +ATOM 727 HB3 PRO B 28 -7.084 8.863 -1.990 1.00 0.00 H +ATOM 728 HG2 PRO B 28 -5.383 7.172 -3.592 1.00 0.00 H +ATOM 729 HG3 PRO B 28 -5.561 7.190 -1.833 1.00 0.00 H +ATOM 730 HD2 PRO B 28 -6.533 5.214 -3.679 1.00 0.00 H +ATOM 731 HD3 PRO B 28 -6.725 5.246 -1.918 1.00 0.00 H +ATOM 732 N LYS B 29 -10.395 7.991 -4.544 1.00 0.00 N +ATOM 733 CA LYS B 29 -11.049 8.356 -5.840 1.00 0.00 C +ATOM 734 C LYS B 29 -12.561 8.151 -5.719 1.00 0.00 C +ATOM 735 O LYS B 29 -13.294 8.984 -6.226 1.00 0.00 O +ATOM 736 CB LYS B 29 -10.507 7.474 -6.975 1.00 0.00 C +ATOM 737 CG LYS B 29 -10.520 6.000 -6.546 1.00 0.00 C +ATOM 738 CD LYS B 29 -11.012 5.126 -7.702 1.00 0.00 C +ATOM 739 CE LYS B 29 -10.025 5.209 -8.871 1.00 0.00 C +ATOM 740 NZ LYS B 29 -8.940 4.204 -8.679 1.00 0.00 N +ATOM 741 OXT LYS B 29 -12.959 7.165 -5.122 1.00 0.00 O +ATOM 742 H LYS B 29 -10.947 7.730 -3.779 1.00 0.00 H +ATOM 743 HA LYS B 29 -10.846 9.394 -6.063 1.00 0.00 H +ATOM 744 HB2 LYS B 29 -11.126 7.601 -7.850 1.00 0.00 H +ATOM 745 HB3 LYS B 29 -9.494 7.771 -7.204 1.00 0.00 H +ATOM 746 HG2 LYS B 29 -9.519 5.700 -6.268 1.00 0.00 H +ATOM 747 HG3 LYS B 29 -11.179 5.877 -5.699 1.00 0.00 H +ATOM 748 HD2 LYS B 29 -11.091 4.102 -7.369 1.00 0.00 H +ATOM 749 HD3 LYS B 29 -11.980 5.473 -8.028 1.00 0.00 H +ATOM 750 HE2 LYS B 29 -10.544 5.005 -9.794 1.00 0.00 H +ATOM 751 HE3 LYS B 29 -9.595 6.199 -8.910 1.00 0.00 H +ATOM 752 HZ1 LYS B 29 -9.357 3.292 -8.407 1.00 0.00 H +ATOM 753 HZ2 LYS B 29 -8.412 4.092 -9.567 1.00 0.00 H +ATOM 754 HZ3 LYS B 29 -8.295 4.529 -7.930 1.00 0.00 H Added: SwiftApps/modFTdock/input/1aiu-1.pdb =================================================================== --- SwiftApps/modFTdock/input/1aiu-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/1aiu-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,821 @@ +ATOM 1 N MET A 1 39.203 15.671 25.103 1.00 47.70 N +ATOM 2 CA MET A 1 38.380 16.351 24.054 1.00 46.07 C +ATOM 3 C MET A 1 39.072 16.288 22.669 1.00 41.82 C +ATOM 4 O MET A 1 40.252 15.935 22.568 1.00 42.13 O +ATOM 5 CB MET A 1 38.058 17.803 24.484 1.00 51.48 C +ATOM 6 CG MET A 1 37.306 17.894 25.848 1.00 57.28 C +ATOM 7 SD MET A 1 36.779 19.560 26.460 1.00 64.79 S +ATOM 8 CE MET A 1 38.158 20.025 27.564 1.00 62.25 C +ATOM 9 N VAL A 2 38.314 16.587 21.613 1.00 34.36 N +ATOM 10 CA VAL A 2 38.792 16.539 20.229 1.00 29.61 C +ATOM 11 C VAL A 2 39.456 17.830 19.733 1.00 27.95 C +ATOM 12 O VAL A 2 38.897 18.921 19.868 1.00 26.40 O +ATOM 13 CB VAL A 2 37.629 16.177 19.274 1.00 28.10 C +ATOM 14 CG1 VAL A 2 38.122 16.060 17.829 1.00 24.73 C +ATOM 15 CG2 VAL A 2 36.965 14.885 19.721 1.00 24.76 C +ATOM 16 N LYS A 3 40.620 17.684 19.109 1.00 24.82 N +ATOM 17 CA LYS A 3 41.378 18.812 18.576 1.00 23.70 C +ATOM 18 C LYS A 3 41.043 19.090 17.100 1.00 22.25 C +ATOM 19 O LYS A 3 41.235 18.231 16.239 1.00 18.04 O +ATOM 20 CB LYS A 3 42.875 18.526 18.697 1.00 27.60 C +ATOM 21 CG LYS A 3 43.370 18.177 20.096 1.00 33.49 C +ATOM 22 CD LYS A 3 44.878 17.964 20.064 1.00 35.89 C +ATOM 23 CE LYS A 3 45.469 17.792 21.457 1.00 38.62 C +ATOM 24 NZ LYS A 3 46.956 17.899 21.380 1.00 39.53 N +ATOM 25 N GLN A 4 40.574 20.302 16.816 1.00 18.61 N +ATOM 26 CA GLN A 4 40.228 20.713 15.454 1.00 17.04 C +ATOM 27 C GLN A 4 41.480 21.182 14.689 1.00 15.23 C +ATOM 28 O GLN A 4 42.095 22.190 15.060 1.00 14.71 O +ATOM 29 CB GLN A 4 39.213 21.863 15.504 1.00 16.97 C +ATOM 30 CG GLN A 4 38.619 22.212 14.160 1.00 16.38 C +ATOM 31 CD GLN A 4 37.599 21.197 13.726 1.00 15.12 C +ATOM 32 OE1 GLN A 4 36.789 20.759 14.533 1.00 21.69 O +ATOM 33 NE2 GLN A 4 37.629 20.809 12.473 1.00 14.68 N +ATOM 34 N ILE A 5 41.826 20.479 13.611 1.00 13.61 N +ATOM 35 CA ILE A 5 43.003 20.813 12.788 1.00 13.06 C +ATOM 36 C ILE A 5 42.631 21.729 11.613 1.00 10.24 C +ATOM 37 O ILE A 5 41.747 21.422 10.811 1.00 10.20 O +ATOM 38 CB ILE A 5 43.688 19.511 12.215 1.00 12.75 C +ATOM 39 CG1 ILE A 5 44.227 18.589 13.312 1.00 9.31 C +ATOM 40 CG2 ILE A 5 44.872 19.820 11.296 1.00 13.61 C +ATOM 41 CD1 ILE A 5 45.172 19.297 14.284 1.00 9.04 C +ATOM 42 N GLU A 6 43.328 22.865 11.494 1.00 8.94 N +ATOM 43 CA GLU A 6 42.995 23.829 10.423 1.00 8.19 C +ATOM 44 C GLU A 6 44.202 24.243 9.538 1.00 8.52 C +ATOM 45 O GLU A 6 44.230 25.342 8.970 1.00 6.85 O +ATOM 46 CB GLU A 6 42.376 25.099 11.014 1.00 7.70 C +ATOM 47 CG GLU A 6 40.954 24.876 11.558 1.00 11.01 C +ATOM 48 CD GLU A 6 39.939 24.436 10.491 1.00 10.37 C +ATOM 49 OE1 GLU A 6 40.203 24.588 9.238 1.00 14.35 O +ATOM 50 OE2 GLU A 6 38.814 23.912 10.847 1.00 15.83 O +ATOM 51 N SER A 7 45.184 23.360 9.405 1.00 5.70 N +ATOM 52 CA SER A 7 46.360 23.598 8.517 1.00 7.36 C +ATOM 53 C SER A 7 47.272 22.378 8.541 1.00 7.84 C +ATOM 54 O SER A 7 47.216 21.591 9.490 1.00 7.74 O +ATOM 55 CB SER A 7 47.121 24.859 8.941 1.00 5.70 C +ATOM 56 OG SER A 7 47.903 24.604 10.093 1.00 11.35 O +ATOM 57 N LYS A 8 48.113 22.225 7.521 1.00 8.16 N +ATOM 58 CA LYS A 8 49.057 21.102 7.480 1.00 13.40 C +ATOM 59 C LYS A 8 50.123 21.232 8.582 1.00 13.71 C +ATOM 60 O LYS A 8 50.532 20.238 9.182 1.00 14.32 O +ATOM 61 CB LYS A 8 49.718 20.961 6.096 1.00 10.82 C +ATOM 62 CG LYS A 8 50.671 19.767 6.033 1.00 16.89 C +ATOM 63 CD LYS A 8 50.864 19.229 4.630 1.00 20.09 C +ATOM 64 CE LYS A 8 51.603 20.212 3.753 1.00 25.20 C +ATOM 65 NZ LYS A 8 51.857 19.652 2.393 1.00 21.60 N +ATOM 66 N THR A 9 50.543 22.458 8.873 1.00 14.78 N +ATOM 67 CA THR A 9 51.537 22.700 9.913 1.00 16.48 C +ATOM 68 C THR A 9 51.015 22.183 11.259 1.00 15.77 C +ATOM 69 O THR A 9 51.726 21.496 11.998 1.00 16.16 O +ATOM 70 CB THR A 9 51.853 24.218 10.023 1.00 17.72 C +ATOM 71 OG1 THR A 9 52.233 24.716 8.733 1.00 20.72 O +ATOM 72 CG2 THR A 9 52.984 24.473 11.005 1.00 19.12 C +ATOM 73 N ALA A 10 49.756 22.489 11.549 1.00 14.01 N +ATOM 74 CA ALA A 10 49.120 22.071 12.791 1.00 12.27 C +ATOM 75 C ALA A 10 48.995 20.548 12.852 1.00 11.59 C +ATOM 76 O ALA A 10 49.161 19.951 13.922 1.00 11.22 O +ATOM 77 CB ALA A 10 47.734 22.736 12.927 1.00 11.19 C +ATOM 78 N PHE A 11 48.725 19.926 11.703 1.00 11.07 N +ATOM 79 CA PHE A 11 48.589 18.463 11.627 1.00 11.70 C +ATOM 80 C PHE A 11 49.911 17.778 11.997 1.00 13.44 C +ATOM 81 O PHE A 11 49.945 16.884 12.842 1.00 12.76 O +ATOM 82 CB PHE A 11 48.146 18.027 10.216 1.00 12.30 C +ATOM 83 CG PHE A 11 47.801 16.554 10.105 1.00 13.62 C +ATOM 84 CD1 PHE A 11 46.715 16.025 10.798 1.00 16.08 C +ATOM 85 CD2 PHE A 11 48.569 15.697 9.316 1.00 15.35 C +ATOM 86 CE1 PHE A 11 46.396 14.654 10.709 1.00 18.56 C +ATOM 87 CE2 PHE A 11 48.260 14.316 9.216 1.00 15.26 C +ATOM 88 CZ PHE A 11 47.176 13.800 9.915 1.00 17.02 C +ATOM 89 N GLN A 12 50.996 18.224 11.373 1.00 12.75 N +ATOM 90 CA GLN A 12 52.318 17.670 11.629 1.00 14.35 C +ATOM 91 C GLN A 12 52.802 17.912 13.057 1.00 14.80 C +ATOM 92 O GLN A 12 53.451 17.048 13.654 1.00 14.06 O +ATOM 93 CB GLN A 12 53.334 18.230 10.637 1.00 16.64 C +ATOM 94 CG GLN A 12 52.954 17.993 9.181 1.00 22.23 C +ATOM 95 CD GLN A 12 53.953 18.588 8.204 1.00 25.26 C +ATOM 96 OE1 GLN A 12 54.389 17.912 7.276 1.00 28.27 O +ATOM 97 NE2 GLN A 12 54.307 19.858 8.397 1.00 24.27 N +ATOM 98 N GLU A 13 52.481 19.070 13.618 1.00 14.27 N +ATOM 99 CA GLU A 13 52.920 19.364 14.973 1.00 16.98 C +ATOM 100 C GLU A 13 52.206 18.483 16.014 1.00 15.46 C +ATOM 101 O GLU A 13 52.826 18.019 16.972 1.00 11.73 O +ATOM 102 CB GLU A 13 52.771 20.859 15.278 1.00 23.70 C +ATOM 103 CG GLU A 13 53.873 21.404 16.191 1.00 33.43 C +ATOM 104 CD GLU A 13 54.263 22.848 15.863 1.00 39.23 C +ATOM 105 OE1 GLU A 13 54.820 23.085 14.760 1.00 42.95 O +ATOM 106 OE2 GLU A 13 54.028 23.742 16.720 1.00 41.12 O +ATOM 107 N ALA A 14 50.917 18.221 15.805 1.00 15.06 N +ATOM 108 CA ALA A 14 50.147 17.355 16.710 1.00 14.89 C +ATOM 109 C ALA A 14 50.719 15.935 16.709 1.00 14.25 C +ATOM 110 O ALA A 14 50.819 15.302 17.753 1.00 16.23 O +ATOM 111 CB ALA A 14 48.682 17.317 16.295 1.00 13.33 C +ATOM 112 N LEU A 15 51.035 15.421 15.522 1.00 14.77 N +ATOM 113 CA LEU A 15 51.607 14.082 15.360 1.00 15.29 C +ATOM 114 C LEU A 15 52.946 14.004 16.084 1.00 17.06 C +ATOM 115 O LEU A 15 53.346 12.941 16.586 1.00 16.49 O +ATOM 116 CB LEU A 15 51.805 13.776 13.870 1.00 11.21 C +ATOM 117 CG LEU A 15 50.874 12.783 13.177 1.00 13.60 C +ATOM 118 CD1 LEU A 15 49.461 12.892 13.680 1.00 16.67 C +ATOM 119 CD2 LEU A 15 50.928 13.017 11.689 1.00 15.75 C +ATOM 120 N ASP A 16 53.636 15.139 16.126 1.00 18.53 N +ATOM 121 CA ASP A 16 54.929 15.253 16.785 1.00 19.41 C +ATOM 122 C ASP A 16 54.739 15.247 18.307 1.00 18.48 C +ATOM 123 O ASP A 16 55.203 14.348 19.006 1.00 19.28 O +ATOM 124 CB ASP A 16 55.590 16.570 16.350 1.00 25.92 C +ATOM 125 CG ASP A 16 57.100 16.500 16.348 1.00 29.91 C +ATOM 126 OD1 ASP A 16 57.688 16.299 17.431 1.00 30.12 O +ATOM 127 OD2 ASP A 16 57.693 16.661 15.255 1.00 35.19 O +ATOM 128 N ALA A 17 53.991 16.225 18.805 1.00 15.24 N +ATOM 129 CA ALA A 17 53.733 16.370 20.237 1.00 16.82 C +ATOM 130 C ALA A 17 53.074 15.139 20.874 1.00 15.71 C +ATOM 131 O ALA A 17 53.086 14.979 22.098 1.00 15.05 O +ATOM 132 CB ALA A 17 52.871 17.631 20.487 1.00 15.54 C +ATOM 133 N ALA A 18 52.529 14.263 20.035 1.00 15.78 N +ATOM 134 CA ALA A 18 51.842 13.063 20.500 1.00 17.25 C +ATOM 135 C ALA A 18 52.745 12.126 21.287 1.00 17.73 C +ATOM 136 O ALA A 18 52.281 11.408 22.178 1.00 18.60 O +ATOM 137 CB ALA A 18 51.225 12.324 19.327 1.00 13.49 C +ATOM 138 N GLY A 19 54.034 12.154 20.974 1.00 19.75 N +ATOM 139 CA GLY A 19 54.963 11.281 21.659 1.00 20.00 C +ATOM 140 C GLY A 19 54.670 9.823 21.342 1.00 19.46 C +ATOM 141 O GLY A 19 54.588 9.438 20.172 1.00 19.28 O +ATOM 142 N ASP A 20 54.450 9.036 22.386 1.00 19.46 N +ATOM 143 CA ASP A 20 54.189 7.607 22.255 1.00 23.79 C +ATOM 144 C ASP A 20 52.708 7.237 22.230 1.00 21.78 C +ATOM 145 O ASP A 20 52.364 6.059 22.157 1.00 21.78 O +ATOM 146 CB ASP A 20 54.883 6.847 23.395 1.00 27.60 C +ATOM 147 CG ASP A 20 54.511 7.395 24.783 1.00 35.84 C +ATOM 148 OD1 ASP A 20 54.776 8.591 25.051 1.00 40.16 O +ATOM 149 OD2 ASP A 20 53.963 6.632 25.612 1.00 38.02 O +ATOM 150 N LYS A 21 51.836 8.234 22.293 1.00 18.39 N +ATOM 151 CA LYS A 21 50.407 7.978 22.307 1.00 15.89 C +ATOM 152 C LYS A 21 49.803 7.651 20.939 1.00 15.06 C +ATOM 153 O LYS A 21 50.320 8.068 19.898 1.00 13.63 O +ATOM 154 CB LYS A 21 49.670 9.183 22.884 1.00 17.97 C +ATOM 155 CG LYS A 21 49.909 9.430 24.361 1.00 20.72 C +ATOM 156 CD LYS A 21 49.037 10.571 24.877 1.00 25.87 C +ATOM 157 CE LYS A 21 49.435 11.053 26.263 1.00 24.88 C +ATOM 158 NZ LYS A 21 49.388 12.514 26.394 1.00 26.88 N +ATOM 159 N LEU A 22 48.715 6.878 20.957 1.00 12.37 N +ATOM 160 CA LEU A 22 47.997 6.549 19.735 1.00 11.79 C +ATOM 161 C LEU A 22 47.223 7.811 19.306 1.00 10.62 C +ATOM 162 O LEU A 22 46.657 8.510 20.146 1.00 10.45 O +ATOM 163 CB LEU A 22 46.982 5.413 19.970 1.00 11.94 C +ATOM 164 CG LEU A 22 46.112 5.083 18.740 1.00 10.78 C +ATOM 165 CD1 LEU A 22 46.971 4.420 17.664 1.00 10.34 C +ATOM 166 CD2 LEU A 22 44.947 4.185 19.126 1.00 11.64 C +ATOM 167 N VAL A 23 47.215 8.097 18.008 1.00 10.19 N +ATOM 168 CA VAL A 23 46.495 9.244 17.474 1.00 10.71 C +ATOM 169 C VAL A 23 45.405 8.721 16.536 1.00 10.68 C +ATOM 170 O VAL A 23 45.666 7.876 15.674 1.00 7.55 O +ATOM 171 CB VAL A 23 47.443 10.216 16.693 1.00 9.38 C +ATOM 172 CG1 VAL A 23 46.657 11.426 16.147 1.00 10.43 C +ATOM 173 CG2 VAL A 23 48.569 10.700 17.598 1.00 9.44 C +ATOM 174 N VAL A 24 44.178 9.193 16.742 1.00 9.49 N +ATOM 175 CA VAL A 24 43.049 8.808 15.902 1.00 10.55 C +ATOM 176 C VAL A 24 42.581 10.091 15.206 1.00 9.23 C +ATOM 177 O VAL A 24 42.391 11.120 15.862 1.00 9.65 O +ATOM 178 CB VAL A 24 41.890 8.183 16.745 1.00 12.17 C +ATOM 179 CG1 VAL A 24 40.741 7.758 15.847 1.00 12.96 C +ATOM 180 CG2 VAL A 24 42.395 6.971 17.500 1.00 13.68 C +ATOM 181 N VAL A 25 42.513 10.050 13.875 1.00 10.14 N +ATOM 182 CA VAL A 25 42.082 11.189 13.055 1.00 8.24 C +ATOM 183 C VAL A 25 40.779 10.860 12.313 1.00 10.23 C +ATOM 184 O VAL A 25 40.696 9.836 11.604 1.00 10.32 O +ATOM 185 CB VAL A 25 43.127 11.538 11.960 1.00 9.55 C +ATOM 186 CG1 VAL A 25 42.749 12.847 11.274 1.00 6.50 C +ATOM 187 CG2 VAL A 25 44.546 11.620 12.547 1.00 9.58 C +ATOM 188 N ASP A 26 39.783 11.736 12.463 1.00 8.16 N +ATOM 189 CA ASP A 26 38.493 11.603 11.805 1.00 5.67 C +ATOM 190 C ASP A 26 38.442 12.579 10.612 1.00 7.03 C +ATOM 191 O ASP A 26 38.457 13.796 10.808 1.00 6.92 O +ATOM 192 CB ASP A 26 37.378 11.912 12.831 1.00 9.52 C +ATOM 193 CG ASP A 26 35.946 11.950 12.221 1.00 10.94 C +ATOM 194 OD1 ASP A 26 35.724 11.687 11.016 1.00 14.38 O +ATOM 195 OD2 ASP A 26 35.012 12.260 12.987 1.00 18.77 O +ATOM 196 N PHE A 27 38.458 12.055 9.388 1.00 5.52 N +ATOM 197 CA PHE A 27 38.361 12.898 8.184 1.00 8.10 C +ATOM 198 C PHE A 27 36.876 13.003 7.798 1.00 10.78 C +ATOM 199 O PHE A 27 36.244 11.993 7.460 1.00 9.71 O +ATOM 200 CB PHE A 27 39.146 12.295 7.024 1.00 6.89 C +ATOM 201 CG PHE A 27 40.640 12.429 7.170 1.00 9.26 C +ATOM 202 CD1 PHE A 27 41.300 13.562 6.699 1.00 8.88 C +ATOM 203 CD2 PHE A 27 41.394 11.410 7.754 1.00 8.69 C +ATOM 204 CE1 PHE A 27 42.691 13.677 6.798 1.00 8.74 C +ATOM 205 CE2 PHE A 27 42.785 11.520 7.859 1.00 9.23 C +ATOM 206 CZ PHE A 27 43.435 12.650 7.380 1.00 7.65 C +ATOM 207 N SER A 28 36.311 14.205 7.846 1.00 9.89 N +ATOM 208 CA SER A 28 34.899 14.348 7.532 1.00 12.02 C +ATOM 209 C SER A 28 34.529 15.530 6.627 1.00 11.18 C +ATOM 210 O SER A 28 35.387 16.353 6.263 1.00 9.93 O +ATOM 211 CB SER A 28 34.100 14.402 8.835 1.00 14.69 C +ATOM 212 OG SER A 28 34.289 15.645 9.490 1.00 20.69 O +ATOM 213 N ALA A 29 33.247 15.576 6.265 1.00 11.77 N +ATOM 214 CA ALA A 29 32.669 16.610 5.402 1.00 15.34 C +ATOM 215 C ALA A 29 31.318 16.984 6.041 1.00 17.05 C +ATOM 216 O ALA A 29 30.550 16.106 6.461 1.00 17.44 O +ATOM 217 CB ALA A 29 32.425 16.051 3.994 1.00 15.17 C +ATOM 218 N THR A 30 31.033 18.270 6.110 1.00 18.83 N +ATOM 219 CA THR A 30 29.817 18.771 6.798 1.00 20.91 C +ATOM 220 C THR A 30 28.494 18.270 6.180 1.00 20.34 C +ATOM 221 O THR A 30 27.478 18.134 6.876 1.00 21.61 O +ATOM 222 CB THR A 30 29.769 20.302 6.796 1.00 22.27 C +ATOM 223 OG1 THR A 30 30.180 20.810 5.539 1.00 23.43 O +ATOM 224 CG2 THR A 30 30.673 20.919 7.866 1.00 23.28 C +ATOM 225 N TRP A 31 28.500 17.990 4.891 1.00 17.48 N +ATOM 226 CA TRP A 31 27.267 17.578 4.183 1.00 20.00 C +ATOM 227 C TRP A 31 27.014 16.042 4.206 1.00 20.95 C +ATOM 228 O TRP A 31 25.981 15.559 3.722 1.00 21.28 O +ATOM 229 CB TRP A 31 27.326 18.012 2.712 1.00 20.84 C +ATOM 230 CG TRP A 31 28.621 17.595 2.007 1.00 19.30 C +ATOM 231 CD1 TRP A 31 29.708 18.352 1.800 1.00 20.08 C +ATOM 232 CD2 TRP A 31 28.873 16.314 1.450 1.00 18.80 C +ATOM 233 NE1 TRP A 31 30.662 17.541 1.106 1.00 18.86 N +ATOM 234 CE2 TRP A 31 30.153 16.349 0.913 1.00 17.26 C +ATOM 235 CE3 TRP A 31 28.127 15.134 1.360 1.00 20.45 C +ATOM 236 CZ2 TRP A 31 30.748 15.251 0.280 1.00 16.01 C +ATOM 237 CZ3 TRP A 31 28.734 14.033 0.720 1.00 17.45 C +ATOM 238 CH2 TRP A 31 29.983 14.090 0.207 1.00 18.39 C +ATOM 239 N CYS A 32 27.933 15.261 4.777 1.00 21.12 N +ATOM 240 CA CYS A 32 27.818 13.762 4.778 1.00 19.66 C +ATOM 241 C CYS A 32 27.126 13.221 6.062 1.00 19.18 C +ATOM 242 O CYS A 32 27.669 13.334 7.174 1.00 18.00 O +ATOM 243 CB CYS A 32 29.206 13.136 4.641 1.00 22.09 C +ATOM 244 SG CYS A 32 29.154 11.287 4.446 1.00 25.09 S +ATOM 245 N GLY A 33 25.956 12.628 5.802 1.00 17.17 N +ATOM 246 CA GLY A 33 25.008 12.054 6.803 1.00 18.13 C +ATOM 247 C GLY A 33 25.684 11.185 7.888 1.00 16.99 C +ATOM 248 O GLY A 33 25.483 11.406 9.092 1.00 15.99 O +ATOM 249 N PRO A 34 26.488 10.158 7.545 1.00 17.18 N +ATOM 250 CA PRO A 34 27.136 9.295 8.556 1.00 14.86 C +ATOM 251 C PRO A 34 28.069 10.069 9.447 1.00 14.29 C +ATOM 252 O PRO A 34 28.073 9.838 10.699 1.00 13.61 O +ATOM 253 CB PRO A 34 27.913 8.299 7.724 1.00 14.51 C +ATOM 254 CG PRO A 34 27.692 8.634 6.252 1.00 19.08 C +ATOM 255 CD PRO A 34 26.783 9.819 6.149 1.00 15.78 C +ATOM 256 N CYS A 35 28.837 10.924 8.806 1.00 13.06 N +ATOM 257 CA CYS A 35 29.807 11.758 9.505 1.00 13.96 C +ATOM 258 C CYS A 35 29.119 12.467 10.674 1.00 15.69 C +ATOM 259 O CYS A 35 29.597 12.420 11.815 1.00 14.82 O +ATOM 260 CB CYS A 35 30.390 12.816 8.563 1.00 12.02 C +ATOM 261 SG CYS A 35 31.673 12.139 7.397 1.00 12.53 S +ATOM 262 N LYS A 36 27.991 13.117 10.390 1.00 18.75 N +ATOM 263 CA LYS A 36 27.229 13.830 11.414 1.00 19.75 C +ATOM 264 C LYS A 36 26.639 12.862 12.433 1.00 19.77 C +ATOM 265 O LYS A 36 26.548 13.162 13.615 1.00 19.86 O +ATOM 266 CB LYS A 36 26.125 14.662 10.761 1.00 23.22 C +ATOM 267 CG LYS A 36 26.667 15.761 9.838 1.00 25.34 C +ATOM 268 CD LYS A 36 25.560 16.619 9.201 1.00 29.03 C +ATOM 269 CE LYS A 36 24.788 15.868 8.128 1.00 29.61 C +ATOM 270 NZ LYS A 36 24.031 16.816 7.244 1.00 28.95 N +ATOM 271 N MET A 37 26.308 11.668 11.965 1.00 20.83 N +ATOM 272 CA MET A 37 25.741 10.624 12.800 1.00 23.10 C +ATOM 273 C MET A 37 26.716 10.114 13.861 1.00 22.60 C +ATOM 274 O MET A 37 26.320 9.842 14.990 1.00 20.32 O +ATOM 275 CB MET A 37 25.344 9.447 11.918 1.00 27.24 C +ATOM 276 CG MET A 37 24.123 8.740 12.380 1.00 36.51 C +ATOM 277 SD MET A 37 22.688 9.674 11.831 1.00 47.00 S +ATOM 278 CE MET A 37 21.537 8.276 11.504 1.00 43.71 C +ATOM 279 N ILE A 38 27.987 9.963 13.486 1.00 21.27 N +ATOM 280 CA ILE A 38 29.002 9.436 14.410 1.00 19.30 C +ATOM 281 C ILE A 38 29.807 10.450 15.238 1.00 18.60 C +ATOM 282 O ILE A 38 30.569 10.055 16.128 1.00 15.59 O +ATOM 283 CB ILE A 38 29.973 8.470 13.665 1.00 17.42 C +ATOM 284 CG1 ILE A 38 30.610 7.501 14.671 1.00 17.19 C +ATOM 285 CG2 ILE A 38 31.022 9.258 12.881 1.00 14.51 C +ATOM 286 CD1 ILE A 38 31.131 6.229 14.063 1.00 17.55 C +ATOM 287 N LYS A 39 29.606 11.740 14.972 1.00 18.60 N +ATOM 288 CA LYS A 39 30.314 12.813 15.669 1.00 18.43 C +ATOM 289 C LYS A 39 30.207 12.781 17.207 1.00 17.32 C +ATOM 290 O LYS A 39 31.224 12.887 17.902 1.00 16.39 O +ATOM 291 CB LYS A 39 29.848 14.169 15.136 1.00 23.41 C +ATOM 292 CG LYS A 39 30.855 15.295 15.278 1.00 26.51 C +ATOM 293 CD LYS A 39 30.195 16.657 15.018 1.00 30.93 C +ATOM 294 CE LYS A 39 31.219 17.781 14.858 1.00 34.17 C +ATOM 295 NZ LYS A 39 32.309 17.767 15.889 1.00 36.51 N +ATOM 296 N PRO A 40 28.979 12.648 17.761 1.00 16.89 N +ATOM 297 CA PRO A 40 28.851 12.610 19.234 1.00 16.73 C +ATOM 298 C PRO A 40 29.604 11.431 19.865 1.00 15.42 C +ATOM 299 O PRO A 40 30.223 11.578 20.926 1.00 15.03 O +ATOM 300 CB PRO A 40 27.340 12.475 19.452 1.00 18.59 C +ATOM 301 CG PRO A 40 26.722 13.035 18.169 1.00 17.86 C +ATOM 302 CD PRO A 40 27.662 12.555 17.101 1.00 17.07 C +ATOM 303 N PHE A 41 29.533 10.261 19.232 1.00 15.51 N +ATOM 304 CA PHE A 41 30.227 9.071 19.739 1.00 13.00 C +ATOM 305 C PHE A 41 31.731 9.303 19.707 1.00 12.11 C +ATOM 306 O PHE A 41 32.412 8.955 20.659 1.00 11.63 O +ATOM 307 CB PHE A 41 29.868 7.817 18.931 1.00 13.52 C +ATOM 308 CG PHE A 41 30.489 6.539 19.465 1.00 16.65 C +ATOM 309 CD1 PHE A 41 30.101 6.022 20.701 1.00 18.11 C +ATOM 310 CD2 PHE A 41 31.478 5.866 18.740 1.00 15.54 C +ATOM 311 CE1 PHE A 41 30.689 4.856 21.204 1.00 16.99 C +ATOM 312 CE2 PHE A 41 32.060 4.718 19.235 1.00 14.56 C +ATOM 313 CZ PHE A 41 31.667 4.208 20.470 1.00 14.01 C +ATOM 314 N PHE A 42 32.248 9.895 18.624 1.00 9.01 N +ATOM 315 CA PHE A 42 33.685 10.180 18.514 1.00 8.36 C +ATOM 316 C PHE A 42 34.140 11.082 19.685 1.00 10.38 C +ATOM 317 O PHE A 42 35.168 10.818 20.328 1.00 9.59 O +ATOM 318 CB PHE A 42 34.005 10.824 17.150 1.00 6.90 C +ATOM 319 CG PHE A 42 35.490 10.957 16.861 1.00 8.39 C +ATOM 320 CD1 PHE A 42 36.265 9.835 16.567 1.00 11.05 C +ATOM 321 CD2 PHE A 42 36.108 12.210 16.854 1.00 9.24 C +ATOM 322 CE1 PHE A 42 37.638 9.950 16.267 1.00 10.04 C +ATOM 323 CE2 PHE A 42 37.484 12.338 16.554 1.00 8.71 C +ATOM 324 CZ PHE A 42 38.247 11.205 16.260 1.00 8.99 C +ATOM 325 N HIS A 43 33.340 12.086 20.022 1.00 10.61 N +ATOM 326 CA HIS A 43 33.696 12.958 21.124 1.00 14.53 C +ATOM 327 C HIS A 43 33.647 12.213 22.466 1.00 13.17 C +ATOM 328 O HIS A 43 34.474 12.455 23.335 1.00 14.88 O +ATOM 329 CB HIS A 43 32.797 14.203 21.164 1.00 19.94 C +ATOM 330 CG HIS A 43 33.325 15.300 22.041 1.00 28.94 C +ATOM 331 ND1 HIS A 43 32.837 15.551 23.308 1.00 29.12 N +ATOM 332 CD2 HIS A 43 34.337 16.185 21.849 1.00 30.48 C +ATOM 333 CE1 HIS A 43 33.524 16.536 23.859 1.00 29.36 C +ATOM 334 NE2 HIS A 43 34.442 16.939 22.997 1.00 31.54 N +ATOM 335 N SER A 44 32.701 11.289 22.629 1.00 13.50 N +ATOM 336 CA SER A 44 32.603 10.538 23.881 1.00 12.64 C +ATOM 337 C SER A 44 33.857 9.694 24.105 1.00 11.97 C +ATOM 338 O SER A 44 34.350 9.586 25.234 1.00 13.14 O +ATOM 339 CB SER A 44 31.333 9.666 23.919 1.00 15.29 C +ATOM 340 OG SER A 44 31.501 8.430 23.241 1.00 20.44 O +ATOM 341 N LEU A 45 34.402 9.149 23.020 1.00 10.69 N +ATOM 342 CA LEU A 45 35.606 8.332 23.087 1.00 11.45 C +ATOM 343 C LEU A 45 36.776 9.159 23.629 1.00 12.35 C +ATOM 344 O LEU A 45 37.581 8.656 24.421 1.00 9.11 O +ATOM 345 CB LEU A 45 35.946 7.773 21.701 1.00 13.89 C +ATOM 346 CG LEU A 45 35.834 6.268 21.383 1.00 15.15 C +ATOM 347 CD1 LEU A 45 35.104 5.492 22.455 1.00 15.09 C +ATOM 348 CD2 LEU A 45 35.182 6.078 20.031 1.00 13.42 C +ATOM 349 N SER A 46 36.841 10.437 23.266 1.00 13.11 N +ATOM 350 CA SER A 46 37.957 11.262 23.737 1.00 15.55 C +ATOM 351 C SER A 46 37.899 11.549 25.229 1.00 16.96 C +ATOM 352 O SER A 46 38.918 11.870 25.835 1.00 18.75 O +ATOM 353 CB SER A 46 38.109 12.558 22.928 1.00 15.17 C +ATOM 354 OG SER A 46 36.978 13.394 23.052 1.00 18.24 O +ATOM 355 N GLU A 47 36.713 11.423 25.820 1.00 16.92 N +ATOM 356 CA GLU A 47 36.558 11.650 27.252 1.00 18.52 C +ATOM 357 C GLU A 47 36.789 10.349 28.029 1.00 18.18 C +ATOM 358 O GLU A 47 37.222 10.372 29.176 1.00 20.34 O +ATOM 359 CB GLU A 47 35.182 12.221 27.556 1.00 20.98 C +ATOM 360 CG GLU A 47 34.965 13.615 27.008 1.00 25.89 C +ATOM 361 CD GLU A 47 33.527 14.088 27.145 1.00 31.65 C +ATOM 362 OE1 GLU A 47 32.676 13.308 27.627 1.00 35.17 O +ATOM 363 OE2 GLU A 47 33.237 15.248 26.768 1.00 36.66 O +ATOM 364 N LYS A 48 36.524 9.221 27.386 1.00 14.96 N +ATOM 365 CA LYS A 48 36.701 7.917 27.995 1.00 16.87 C +ATOM 366 C LYS A 48 38.159 7.481 28.018 1.00 18.64 C +ATOM 367 O LYS A 48 38.642 6.970 29.030 1.00 21.17 O +ATOM 368 CB LYS A 48 35.867 6.866 27.262 1.00 12.59 C +ATOM 369 CG LYS A 48 36.086 5.448 27.756 1.00 13.39 C +ATOM 370 CD LYS A 48 35.082 4.485 27.126 1.00 13.35 C +ATOM 371 CE LYS A 48 35.268 3.062 27.617 1.00 10.12 C +ATOM 372 NZ LYS A 48 34.321 2.179 26.884 1.00 11.42 N +ATOM 373 N TYR A 49 38.842 7.639 26.887 1.00 18.27 N +ATOM 374 CA TYR A 49 40.246 7.265 26.750 1.00 17.06 C +ATOM 375 C TYR A 49 41.117 8.520 26.765 1.00 18.70 C +ATOM 376 O TYR A 49 41.349 9.118 25.720 1.00 16.67 O +ATOM 377 CB TYR A 49 40.476 6.528 25.419 1.00 17.60 C +ATOM 378 CG TYR A 49 39.750 5.207 25.260 1.00 16.00 C +ATOM 379 CD1 TYR A 49 40.303 4.023 25.747 1.00 15.67 C +ATOM 380 CD2 TYR A 49 38.524 5.135 24.595 1.00 14.02 C +ATOM 381 CE1 TYR A 49 39.662 2.799 25.573 1.00 13.73 C +ATOM 382 CE2 TYR A 49 37.868 3.910 24.417 1.00 11.85 C +ATOM 383 CZ TYR A 49 38.450 2.748 24.908 1.00 13.46 C +ATOM 384 OH TYR A 49 37.835 1.523 24.711 1.00 15.47 O +ATOM 385 N SER A 50 41.609 8.913 27.938 1.00 18.49 N +ATOM 386 CA SER A 50 42.457 10.103 28.054 1.00 20.60 C +ATOM 387 C SER A 50 43.926 9.876 27.640 1.00 19.45 C +ATOM 388 O SER A 50 44.692 10.825 27.513 1.00 20.31 O +ATOM 389 CB SER A 50 42.393 10.654 29.478 1.00 22.27 C +ATOM 390 OG SER A 50 42.620 9.619 30.411 1.00 28.45 O +ATOM 391 N ASN A 51 44.299 8.627 27.386 1.00 19.17 N +ATOM 392 CA ASN A 51 45.659 8.281 26.973 1.00 20.95 C +ATOM 393 C ASN A 51 45.765 8.090 25.444 1.00 21.20 C +ATOM 394 O ASN A 51 46.679 7.421 24.944 1.00 23.55 O +ATOM 395 CB ASN A 51 46.128 7.022 27.714 1.00 22.22 C +ATOM 396 CG ASN A 51 45.207 5.819 27.493 1.00 26.87 C +ATOM 397 OD1 ASN A 51 45.674 4.725 27.156 1.00 29.18 O +ATOM 398 ND2 ASN A 51 43.905 5.996 27.747 1.00 24.21 N +ATOM 399 N VAL A 52 44.827 8.687 24.713 1.00 17.66 N +ATOM 400 CA VAL A 52 44.772 8.601 23.250 1.00 14.23 C +ATOM 401 C VAL A 52 44.399 10.011 22.780 1.00 12.97 C +ATOM 402 O VAL A 52 43.589 10.688 23.413 1.00 11.94 O +ATOM 403 CB VAL A 52 43.649 7.612 22.760 1.00 15.43 C +ATOM 404 CG1 VAL A 52 43.568 7.615 21.216 1.00 14.39 C +ATOM 405 CG2 VAL A 52 43.888 6.182 23.269 1.00 10.98 C +ATOM 406 N ILE A 53 44.988 10.447 21.678 1.00 13.60 N +ATOM 407 CA ILE A 53 44.730 11.781 21.136 1.00 12.62 C +ATOM 408 C ILE A 53 43.779 11.652 19.943 1.00 12.47 C +ATOM 409 O ILE A 53 44.015 10.844 19.046 1.00 9.98 O +ATOM 410 CB ILE A 53 46.090 12.480 20.742 1.00 13.60 C +ATOM 411 CG1 ILE A 53 46.856 12.858 22.008 1.00 16.56 C +ATOM 412 CG2 ILE A 53 45.874 13.733 19.906 1.00 11.85 C +ATOM 413 CD1 ILE A 53 48.336 12.950 21.787 1.00 19.83 C +ATOM 414 N PHE A 54 42.694 12.431 19.977 1.00 12.78 N +ATOM 415 CA PHE A 54 41.660 12.453 18.930 1.00 11.95 C +ATOM 416 C PHE A 54 41.705 13.778 18.167 1.00 12.71 C +ATOM 417 O PHE A 54 41.633 14.854 18.780 1.00 10.76 O +ATOM 418 CB PHE A 54 40.262 12.255 19.544 1.00 12.13 C +ATOM 419 CG PHE A 54 40.081 10.917 20.210 1.00 11.22 C +ATOM 420 CD1 PHE A 54 40.512 10.711 21.518 1.00 11.17 C +ATOM 421 CD2 PHE A 54 39.500 9.858 19.527 1.00 11.21 C +ATOM 422 CE1 PHE A 54 40.361 9.450 22.135 1.00 10.43 C +ATOM 423 CE2 PHE A 54 39.344 8.595 20.137 1.00 9.75 C +ATOM 424 CZ PHE A 54 39.776 8.398 21.436 1.00 5.16 C +ATOM 425 N LEU A 55 41.794 13.692 16.839 1.00 10.78 N +ATOM 426 CA LEU A 55 41.897 14.863 15.975 1.00 12.73 C +ATOM 427 C LEU A 55 40.799 14.820 14.914 1.00 13.15 C +ATOM 428 O LEU A 55 40.430 13.728 14.464 1.00 12.59 O +ATOM 429 CB LEU A 55 43.245 14.848 15.235 1.00 12.59 C +ATOM 430 CG LEU A 55 44.544 15.445 15.784 1.00 16.29 C +ATOM 431 CD1 LEU A 55 44.698 15.174 17.242 1.00 17.07 C +ATOM 432 CD2 LEU A 55 45.737 14.901 14.994 1.00 16.13 C +ATOM 433 N GLU A 56 40.284 15.991 14.532 1.00 11.26 N +ATOM 434 CA GLU A 56 39.270 16.090 13.487 1.00 11.47 C +ATOM 435 C GLU A 56 39.760 16.999 12.366 1.00 8.90 C +ATOM 436 O GLU A 56 40.275 18.090 12.617 1.00 9.67 O +ATOM 437 CB GLU A 56 37.923 16.587 14.016 1.00 14.67 C +ATOM 438 CG GLU A 56 37.005 17.015 12.877 1.00 20.71 C +ATOM 439 CD GLU A 56 35.532 16.804 13.139 1.00 25.20 C +ATOM 440 OE1 GLU A 56 35.104 16.862 14.316 1.00 30.87 O +ATOM 441 OE2 GLU A 56 34.792 16.593 12.157 1.00 26.22 O +ATOM 442 N VAL A 57 39.570 16.551 11.132 1.00 7.06 N +ATOM 443 CA VAL A 57 40.002 17.287 9.961 1.00 8.07 C +ATOM 444 C VAL A 57 38.897 17.344 8.914 1.00 9.72 C +ATOM 445 O VAL A 57 38.491 16.301 8.382 1.00 7.84 O +ATOM 446 CB VAL A 57 41.221 16.603 9.292 1.00 9.06 C +ATOM 447 CG1 VAL A 57 41.546 17.289 7.964 1.00 7.37 C +ATOM 448 CG2 VAL A 57 42.421 16.594 10.237 1.00 8.98 C +ATOM 449 N ASP A 58 38.396 18.546 8.632 1.00 10.55 N +ATOM 450 CA ASP A 58 37.362 18.730 7.607 1.00 10.70 C +ATOM 451 C ASP A 58 38.108 18.712 6.280 1.00 8.28 C +ATOM 452 O ASP A 58 38.954 19.559 6.048 1.00 9.07 O +ATOM 453 CB ASP A 58 36.673 20.081 7.784 1.00 12.85 C +ATOM 454 CG ASP A 58 35.569 20.302 6.785 1.00 15.42 C +ATOM 455 OD1 ASP A 58 35.858 20.428 5.585 1.00 16.47 O +ATOM 456 OD2 ASP A 58 34.398 20.335 7.202 1.00 20.05 O +ATOM 457 N VAL A 59 37.752 17.793 5.394 1.00 8.88 N +ATOM 458 CA VAL A 59 38.443 17.662 4.105 1.00 11.43 C +ATOM 459 C VAL A 59 38.338 18.881 3.202 1.00 13.42 C +ATOM 460 O VAL A 59 39.183 19.095 2.321 1.00 12.75 O +ATOM 461 CB VAL A 59 37.958 16.432 3.309 1.00 11.95 C +ATOM 462 CG1 VAL A 59 38.219 15.110 4.034 1.00 8.51 C +ATOM 463 CG2 VAL A 59 36.455 16.459 3.024 1.00 11.24 C +ATOM 464 N ASN A 60 37.329 19.680 3.401 1.00 17.28 N +ATOM 465 CA ASN A 60 37.158 20.865 2.560 1.00 20.15 C +ATOM 466 C ASN A 60 38.090 21.989 3.044 1.00 19.44 C +ATOM 467 O ASN A 60 38.651 22.744 2.237 1.00 20.58 O +ATOM 468 CB ASN A 60 35.706 21.316 2.569 1.00 28.02 C +ATOM 469 CG ASN A 60 35.361 22.199 1.369 1.00 36.40 C +ATOM 470 OD1 ASN A 60 34.913 23.330 1.546 1.00 41.80 O +ATOM 471 ND2 ASN A 60 35.549 21.748 0.142 1.00 37.76 N +ATOM 472 N ASP A 61 38.239 22.054 4.357 1.00 13.13 N +ATOM 473 CA ASP A 61 39.082 23.066 5.028 1.00 12.30 C +ATOM 474 C ASP A 61 40.581 22.838 4.749 1.00 11.41 C +ATOM 475 O ASP A 61 41.339 23.784 4.509 1.00 13.30 O +ATOM 476 CB ASP A 61 38.893 23.000 6.542 1.00 9.90 C +ATOM 477 CG ASP A 61 37.623 23.697 7.029 1.00 9.41 C +ATOM 478 OD1 ASP A 61 36.810 24.227 6.182 1.00 11.48 O +ATOM 479 OD2 ASP A 61 37.366 23.750 8.293 1.00 13.11 O +ATOM 480 N CYS A 62 40.996 21.581 4.806 1.00 10.67 N +ATOM 481 CA CYS A 62 42.409 21.189 4.571 1.00 10.48 C +ATOM 482 C CYS A 62 42.490 20.223 3.394 1.00 11.20 C +ATOM 483 O CYS A 62 42.735 19.028 3.579 1.00 11.36 O +ATOM 484 CB CYS A 62 42.974 20.479 5.804 1.00 9.08 C +ATOM 485 SG CYS A 62 42.760 21.447 7.374 1.00 16.66 S +ATOM 486 N GLN A 63 42.330 20.748 2.187 1.00 10.59 N +ATOM 487 CA GLN A 63 42.369 19.927 0.979 1.00 13.48 C +ATOM 488 C GLN A 63 43.734 19.302 0.750 1.00 14.48 C +ATOM 489 O GLN A 63 43.836 18.188 0.224 1.00 12.18 O +ATOM 490 CB GLN A 63 41.882 20.738 -0.229 1.00 12.45 C +ATOM 491 CG GLN A 63 40.491 21.306 0.049 1.00 17.88 C +ATOM 492 CD GLN A 63 39.833 21.983 -1.133 1.00 21.60 C +ATOM 493 OE1 GLN A 63 40.203 21.758 -2.291 1.00 21.96 O +ATOM 494 NE2 GLN A 63 38.817 22.800 -0.846 1.00 22.14 N +ATOM 495 N ASP A 64 44.781 20.006 1.182 1.00 13.01 N +ATOM 496 CA ASP A 64 46.136 19.488 1.048 1.00 12.37 C +ATOM 497 C ASP A 64 46.383 18.264 1.932 1.00 11.91 C +ATOM 498 O ASP A 64 46.946 17.287 1.465 1.00 12.53 O +ATOM 499 CB ASP A 64 47.199 20.586 1.259 1.00 15.99 C +ATOM 500 CG ASP A 64 47.038 21.355 2.571 1.00 18.36 C +ATOM 501 OD1 ASP A 64 45.947 21.308 3.207 1.00 17.85 O +ATOM 502 OD2 ASP A 64 48.029 22.041 2.953 1.00 20.65 O +ATOM 503 N VAL A 65 45.883 18.281 3.167 1.00 9.77 N +ATOM 504 CA VAL A 65 46.046 17.143 4.083 1.00 10.53 C +ATOM 505 C VAL A 65 45.220 15.946 3.577 1.00 10.62 C +ATOM 506 O VAL A 65 45.719 14.824 3.507 1.00 10.23 O +ATOM 507 CB VAL A 65 45.627 17.503 5.557 1.00 9.64 C +ATOM 508 CG1 VAL A 65 45.729 16.270 6.481 1.00 9.54 C +ATOM 509 CG2 VAL A 65 46.500 18.629 6.102 1.00 7.98 C +ATOM 510 N ALA A 66 43.981 16.199 3.162 1.00 11.69 N +ATOM 511 CA ALA A 66 43.109 15.138 2.658 1.00 9.94 C +ATOM 512 C ALA A 66 43.761 14.433 1.460 1.00 12.51 C +ATOM 513 O ALA A 66 43.838 13.193 1.408 1.00 11.20 O +ATOM 514 CB ALA A 66 41.766 15.708 2.258 1.00 8.38 C +ATOM 515 N SER A 67 44.239 15.223 0.509 1.00 11.53 N +ATOM 516 CA SER A 67 44.879 14.695 -0.687 1.00 13.58 C +ATOM 517 C SER A 67 46.123 13.841 -0.383 1.00 14.29 C +ATOM 518 O SER A 67 46.289 12.762 -0.956 1.00 14.77 O +ATOM 519 CB SER A 67 45.243 15.851 -1.624 1.00 14.39 C +ATOM 520 OG SER A 67 45.654 15.363 -2.889 1.00 21.21 O +ATOM 521 N GLU A 68 46.983 14.306 0.520 1.00 14.09 N +ATOM 522 CA GLU A 68 48.199 13.574 0.874 1.00 15.20 C +ATOM 523 C GLU A 68 47.966 12.300 1.681 1.00 13.68 C +ATOM 524 O GLU A 68 48.727 11.341 1.563 1.00 11.74 O +ATOM 525 CB GLU A 68 49.181 14.498 1.588 1.00 18.62 C +ATOM 526 CG GLU A 68 49.733 15.574 0.663 1.00 24.64 C +ATOM 527 CD GLU A 68 50.636 16.554 1.370 1.00 28.93 C +ATOM 528 OE1 GLU A 68 51.068 16.262 2.512 1.00 30.01 O +ATOM 529 OE2 GLU A 68 50.906 17.623 0.777 1.00 29.89 O +ATOM 530 N CYS A 69 46.940 12.299 2.525 1.00 9.23 N +ATOM 531 CA CYS A 69 46.612 11.098 3.293 1.00 10.45 C +ATOM 532 C CYS A 69 45.760 10.137 2.431 1.00 8.32 C +ATOM 533 O CYS A 69 45.285 9.096 2.904 1.00 8.97 O +ATOM 534 CB CYS A 69 45.890 11.467 4.586 1.00 8.43 C +ATOM 535 SG CYS A 69 46.896 12.376 5.760 1.00 11.56 S +ATOM 536 N GLU A 70 45.543 10.523 1.176 1.00 10.46 N +ATOM 537 CA GLU A 70 44.794 9.743 0.206 1.00 13.51 C +ATOM 538 C GLU A 70 43.404 9.311 0.644 1.00 13.16 C +ATOM 539 O GLU A 70 43.024 8.154 0.471 1.00 11.90 O +ATOM 540 CB GLU A 70 45.629 8.536 -0.238 1.00 17.15 C +ATOM 541 CG GLU A 70 47.033 8.933 -0.706 1.00 22.44 C +ATOM 542 CD GLU A 70 47.822 7.780 -1.292 1.00 24.34 C +ATOM 543 OE1 GLU A 70 48.205 6.871 -0.529 1.00 28.66 O +ATOM 544 OE2 GLU A 70 48.069 7.786 -2.514 1.00 26.28 O +ATOM 545 N VAL A 71 42.643 10.258 1.192 1.00 11.68 N +ATOM 546 CA VAL A 71 41.271 10.013 1.648 1.00 11.53 C +ATOM 547 C VAL A 71 40.331 9.958 0.443 1.00 13.85 C +ATOM 548 O VAL A 71 40.492 10.734 -0.510 1.00 12.04 O +ATOM 549 CB VAL A 71 40.812 11.124 2.625 1.00 13.64 C +ATOM 550 CG1 VAL A 71 39.336 10.959 3.005 1.00 10.80 C +ATOM 551 CG2 VAL A 71 41.688 11.108 3.872 1.00 9.00 C +ATOM 552 N LYS A 72 39.386 9.019 0.462 1.00 14.44 N +ATOM 553 CA LYS A 72 38.424 8.886 -0.634 1.00 17.71 C +ATOM 554 C LYS A 72 36.970 8.601 -0.235 1.00 16.03 C +ATOM 555 O LYS A 72 36.079 8.675 -1.075 1.00 16.95 O +ATOM 556 CB LYS A 72 38.920 7.883 -1.687 1.00 21.38 C +ATOM 557 CG LYS A 72 39.325 6.529 -1.144 1.00 24.73 C +ATOM 558 CD LYS A 72 40.066 5.713 -2.203 1.00 29.60 C +ATOM 559 CE LYS A 72 41.475 6.270 -2.496 1.00 33.01 C +ATOM 560 NZ LYS A 72 42.478 5.968 -1.412 1.00 34.72 N +ATOM 561 N CYS A 73 36.730 8.330 1.047 1.00 16.52 N +ATOM 562 CA CYS A 73 35.385 8.052 1.575 1.00 16.81 C +ATOM 563 C CYS A 73 35.199 8.813 2.892 1.00 15.01 C +ATOM 564 O CYS A 73 36.173 9.126 3.571 1.00 17.46 O +ATOM 565 CB CYS A 73 35.203 6.552 1.865 1.00 17.58 C +ATOM 566 SG CYS A 73 35.101 5.459 0.422 1.00 19.65 S +ATOM 567 N MET A 74 33.962 9.106 3.262 1.00 12.63 N +ATOM 568 CA MET A 74 33.713 9.814 4.507 1.00 15.23 C +ATOM 569 C MET A 74 32.700 9.073 5.360 1.00 13.59 C +ATOM 570 O MET A 74 31.717 8.548 4.844 1.00 11.86 O +ATOM 571 CB MET A 74 33.208 11.241 4.257 1.00 18.68 C +ATOM 572 CG MET A 74 34.293 12.312 4.151 1.00 19.48 C +ATOM 573 SD MET A 74 34.863 12.476 2.489 1.00 26.59 S +ATOM 574 CE MET A 74 33.367 13.035 1.693 1.00 27.20 C +ATOM 575 N PRO A 75 33.004 8.897 6.652 1.00 11.99 N +ATOM 576 CA PRO A 75 34.251 9.356 7.282 1.00 11.61 C +ATOM 577 C PRO A 75 35.384 8.311 7.143 1.00 10.67 C +ATOM 578 O PRO A 75 35.125 7.130 6.872 1.00 9.38 O +ATOM 579 CB PRO A 75 33.848 9.521 8.752 1.00 11.82 C +ATOM 580 CG PRO A 75 32.849 8.414 8.950 1.00 12.38 C +ATOM 581 CD PRO A 75 32.033 8.424 7.656 1.00 12.27 C +ATOM 582 N THR A 76 36.632 8.753 7.243 1.00 8.73 N +ATOM 583 CA THR A 76 37.756 7.816 7.214 1.00 6.01 C +ATOM 584 C THR A 76 38.519 8.014 8.529 1.00 7.26 C +ATOM 585 O THR A 76 38.787 9.152 8.925 1.00 5.05 O +ATOM 586 CB THR A 76 38.729 8.063 6.027 1.00 9.04 C +ATOM 587 OG1 THR A 76 38.129 7.616 4.804 1.00 5.42 O +ATOM 588 CG2 THR A 76 40.044 7.279 6.230 1.00 10.02 C +ATOM 589 N PHE A 77 38.804 6.922 9.236 1.00 4.61 N +ATOM 590 CA PHE A 77 39.568 7.008 10.483 1.00 7.53 C +ATOM 591 C PHE A 77 40.952 6.451 10.204 1.00 5.81 C +ATOM 592 O PHE A 77 41.073 5.357 9.657 1.00 6.43 O +ATOM 593 CB PHE A 77 38.890 6.213 11.614 1.00 6.96 C +ATOM 594 CG PHE A 77 37.463 6.627 11.872 1.00 8.31 C +ATOM 595 CD1 PHE A 77 37.178 7.728 12.670 1.00 7.50 C +ATOM 596 CD2 PHE A 77 36.408 5.947 11.269 1.00 7.27 C +ATOM 597 CE1 PHE A 77 35.876 8.152 12.854 1.00 11.45 C +ATOM 598 CE2 PHE A 77 35.098 6.362 11.446 1.00 8.00 C +ATOM 599 CZ PHE A 77 34.828 7.465 12.236 1.00 11.35 C +ATOM 600 N GLN A 78 41.985 7.247 10.460 1.00 5.53 N +ATOM 601 CA GLN A 78 43.363 6.803 10.266 1.00 6.91 C +ATOM 602 C GLN A 78 44.035 6.799 11.628 1.00 9.44 C +ATOM 603 O GLN A 78 43.779 7.676 12.464 1.00 8.21 O +ATOM 604 CB GLN A 78 44.112 7.687 9.259 1.00 5.99 C +ATOM 605 CG GLN A 78 43.667 7.465 7.797 1.00 5.94 C +ATOM 606 CD GLN A 78 44.452 8.293 6.785 1.00 3.68 C +ATOM 607 OE1 GLN A 78 45.283 9.107 7.151 1.00 8.86 O +ATOM 608 NE2 GLN A 78 44.180 8.091 5.511 1.00 5.37 N +ATOM 609 N PHE A 79 44.828 5.765 11.878 1.00 9.27 N +ATOM 610 CA PHE A 79 45.509 5.592 13.171 1.00 10.67 C +ATOM 611 C PHE A 79 47.015 5.756 13.006 1.00 9.53 C +ATOM 612 O PHE A 79 47.580 5.227 12.053 1.00 8.45 O +ATOM 613 CB PHE A 79 45.174 4.200 13.743 1.00 8.10 C +ATOM 614 CG PHE A 79 43.698 3.954 13.915 1.00 8.85 C +ATOM 615 CD1 PHE A 79 42.886 3.689 12.811 1.00 10.38 C +ATOM 616 CD2 PHE A 79 43.108 4.030 15.171 1.00 11.30 C +ATOM 617 CE1 PHE A 79 41.489 3.512 12.960 1.00 10.29 C +ATOM 618 CE2 PHE A 79 41.721 3.853 15.333 1.00 11.36 C +ATOM 619 CZ PHE A 79 40.914 3.594 14.215 1.00 6.70 C +ATOM 620 N PHE A 80 47.651 6.501 13.914 1.00 9.83 N +ATOM 621 CA PHE A 80 49.099 6.763 13.861 1.00 12.55 C +ATOM 622 C PHE A 80 49.763 6.575 15.237 1.00 14.80 C +ATOM 623 O PHE A 80 49.204 6.942 16.278 1.00 13.59 O +ATOM 624 CB PHE A 80 49.384 8.225 13.434 1.00 10.35 C +ATOM 625 CG PHE A 80 48.812 8.615 12.070 1.00 10.82 C +ATOM 626 CD1 PHE A 80 47.500 9.094 11.971 1.00 12.28 C +ATOM 627 CD2 PHE A 80 49.606 8.507 10.921 1.00 10.54 C +ATOM 628 CE1 PHE A 80 46.981 9.462 10.723 1.00 11.90 C +ATOM 629 CE2 PHE A 80 49.087 8.875 9.674 1.00 11.64 C +ATOM 630 CZ PHE A 80 47.774 9.353 9.575 1.00 13.84 C +ATOM 631 N LYS A 81 50.948 5.998 15.179 1.00 17.39 N +ATOM 632 CA LYS A 81 51.824 5.787 16.344 1.00 21.45 C +ATOM 633 C LYS A 81 53.230 6.198 15.922 1.00 22.26 C +ATOM 634 O LYS A 81 53.760 5.695 14.929 1.00 22.99 O +ATOM 635 CB LYS A 81 51.860 4.305 16.753 1.00 25.00 C +ATOM 636 CG LYS A 81 50.526 3.755 17.262 1.00 30.12 C +ATOM 637 CD LYS A 81 50.696 2.721 18.383 1.00 31.63 C +ATOM 638 CE LYS A 81 51.188 3.349 19.688 1.00 32.06 C +ATOM 639 NZ LYS A 81 51.231 2.399 20.808 1.00 35.02 N +ATOM 640 N LYS A 82 53.810 7.113 16.655 1.00 24.15 N +ATOM 641 CA LYS A 82 55.168 7.607 16.361 1.00 26.51 C +ATOM 642 C LYS A 82 55.310 8.037 14.888 1.00 26.79 C +ATOM 643 O LYS A 82 56.155 7.522 14.149 1.00 28.23 O +ATOM 644 CB LYS A 82 56.211 6.535 16.683 1.00 27.17 C +ATOM 645 CG LYS A 82 56.870 6.744 18.053 1.00 28.46 C +ATOM 646 CD LYS A 82 56.245 5.882 19.151 1.00 33.32 C +ATOM 647 CE LYS A 82 56.521 4.389 18.962 1.00 33.90 C +ATOM 648 NZ LYS A 82 55.880 3.552 19.987 1.00 33.40 N +ATOM 649 N GLY A 83 54.440 8.946 14.457 1.00 26.85 N +ATOM 650 CA GLY A 83 54.476 9.443 13.091 1.00 25.19 C +ATOM 651 C GLY A 83 54.093 8.480 11.975 1.00 26.71 C +ATOM 652 O GLY A 83 53.993 8.910 10.818 1.00 26.51 O +ATOM 653 N GLN A 84 53.841 7.208 12.293 1.00 25.02 N +ATOM 654 CA GLN A 84 53.483 6.225 11.266 1.00 24.91 C +ATOM 655 C GLN A 84 52.037 5.731 11.304 1.00 21.89 C +ATOM 656 O GLN A 84 51.487 5.480 12.378 1.00 20.97 O +ATOM 657 CB GLN A 84 54.416 5.015 11.339 1.00 30.22 C +ATOM 658 CG GLN A 84 54.067 3.945 10.309 1.00 39.85 C +ATOM 659 CD GLN A 84 54.740 2.599 10.545 1.00 45.60 C +ATOM 660 OE1 GLN A 84 54.546 1.658 9.760 1.00 49.44 O +ATOM 661 NE2 GLN A 84 55.532 2.492 11.608 1.00 47.34 N +ATOM 662 N LYS A 85 51.447 5.550 10.123 1.00 19.19 N +ATOM 663 CA LYS A 85 50.078 5.061 10.002 1.00 17.22 C +ATOM 664 C LYS A 85 50.069 3.560 10.273 1.00 16.58 C +ATOM 665 O LYS A 85 50.718 2.785 9.569 1.00 17.69 O +ATOM 666 CB LYS A 85 49.512 5.352 8.600 1.00 17.72 C +ATOM 667 CG LYS A 85 48.015 5.018 8.452 1.00 18.54 C +ATOM 668 CD LYS A 85 47.429 5.465 7.118 1.00 18.49 C +ATOM 669 CE LYS A 85 48.102 4.769 5.947 1.00 22.37 C +ATOM 670 NZ LYS A 85 47.675 5.286 4.618 1.00 27.52 N +ATOM 671 N VAL A 86 49.358 3.157 11.316 1.00 17.55 N +ATOM 672 CA VAL A 86 49.280 1.750 11.696 1.00 16.16 C +ATOM 673 C VAL A 86 47.898 1.117 11.531 1.00 15.49 C +ATOM 674 O VAL A 86 47.675 -0.022 11.953 1.00 15.29 O +ATOM 675 CB VAL A 86 49.774 1.546 13.139 1.00 12.58 C +ATOM 676 CG1 VAL A 86 51.236 1.911 13.233 1.00 15.85 C +ATOM 677 CG2 VAL A 86 48.974 2.400 14.098 1.00 14.38 C +ATOM 678 N GLY A 87 46.975 1.852 10.915 1.00 14.21 N +ATOM 679 CA GLY A 87 45.632 1.342 10.691 1.00 12.74 C +ATOM 680 C GLY A 87 44.748 2.307 9.916 1.00 11.62 C +ATOM 681 O GLY A 87 45.015 3.521 9.889 1.00 10.09 O +ATOM 682 N GLU A 88 43.663 1.786 9.358 1.00 9.75 N +ATOM 683 CA GLU A 88 42.757 2.600 8.574 1.00 11.50 C +ATOM 684 C GLU A 88 41.496 1.873 8.092 1.00 12.42 C +ATOM 685 O GLU A 88 41.547 0.699 7.729 1.00 11.59 O +ATOM 686 CB GLU A 88 43.538 3.135 7.370 1.00 12.66 C +ATOM 687 CG GLU A 88 42.709 3.541 6.204 1.00 17.28 C +ATOM 688 CD GLU A 88 43.474 4.396 5.230 1.00 21.40 C +ATOM 689 OE1 GLU A 88 44.683 4.135 5.018 1.00 23.02 O +ATOM 690 OE2 GLU A 88 42.866 5.340 4.685 1.00 23.31 O +ATOM 691 N PHE A 89 40.366 2.574 8.111 1.00 9.62 N +ATOM 692 CA PHE A 89 39.108 2.038 7.598 1.00 10.54 C +ATOM 693 C PHE A 89 38.139 3.207 7.420 1.00 10.69 C +ATOM 694 O PHE A 89 38.398 4.300 7.923 1.00 13.01 O +ATOM 695 CB PHE A 89 38.528 0.914 8.496 1.00 9.37 C +ATOM 696 CG PHE A 89 37.884 1.391 9.777 1.00 11.28 C +ATOM 697 CD1 PHE A 89 36.555 1.830 9.788 1.00 11.99 C +ATOM 698 CD2 PHE A 89 38.597 1.375 10.976 1.00 11.11 C +ATOM 699 CE1 PHE A 89 35.944 2.245 10.963 1.00 10.73 C +ATOM 700 CE2 PHE A 89 38.001 1.786 12.170 1.00 11.53 C +ATOM 701 CZ PHE A 89 36.664 2.225 12.163 1.00 11.33 C +ATOM 702 N SER A 90 37.082 3.013 6.637 1.00 10.00 N +ATOM 703 CA SER A 90 36.087 4.066 6.436 1.00 10.88 C +ATOM 704 C SER A 90 34.683 3.554 6.777 1.00 11.26 C +ATOM 705 O SER A 90 34.461 2.334 6.849 1.00 10.25 O +ATOM 706 CB SER A 90 36.137 4.608 5.004 1.00 12.18 C +ATOM 707 OG SER A 90 36.088 3.569 4.049 1.00 17.83 O +ATOM 708 N GLY A 91 33.756 4.485 7.003 1.00 10.26 N +ATOM 709 CA GLY A 91 32.392 4.133 7.351 1.00 9.31 C +ATOM 710 C GLY A 91 32.141 4.420 8.817 1.00 12.06 C +ATOM 711 O GLY A 91 33.073 4.366 9.633 1.00 12.18 O +ATOM 712 N ALA A 92 30.886 4.697 9.170 1.00 12.01 N +ATOM 713 CA ALA A 92 30.543 5.019 10.550 1.00 14.75 C +ATOM 714 C ALA A 92 30.183 3.795 11.395 1.00 15.70 C +ATOM 715 O ALA A 92 29.043 3.647 11.845 1.00 21.06 O +ATOM 716 CB ALA A 92 29.406 6.060 10.586 1.00 13.48 C +ATOM 717 N ASN A 93 31.162 2.934 11.655 1.00 13.40 N +ATOM 718 CA ASN A 93 30.913 1.732 12.449 1.00 11.43 C +ATOM 719 C ASN A 93 31.457 1.940 13.860 1.00 10.06 C +ATOM 720 O ASN A 93 32.664 1.892 14.067 1.00 11.60 O +ATOM 721 CB ASN A 93 31.595 0.540 11.794 1.00 11.55 C +ATOM 722 CG ASN A 93 31.207 -0.785 12.424 1.00 11.23 C +ATOM 723 OD1 ASN A 93 30.985 -0.893 13.626 1.00 14.30 O +ATOM 724 ND2 ASN A 93 31.147 -1.809 11.603 1.00 15.40 N +ATOM 725 N LYS A 94 30.566 2.176 14.816 1.00 8.39 N +ATOM 726 CA LYS A 94 30.951 2.419 16.203 1.00 10.87 C +ATOM 727 C LYS A 94 31.742 1.299 16.902 1.00 11.47 C +ATOM 728 O LYS A 94 32.708 1.569 17.614 1.00 12.43 O +ATOM 729 CB LYS A 94 29.718 2.746 17.036 1.00 11.96 C +ATOM 730 CG LYS A 94 28.951 3.990 16.596 1.00 17.20 C +ATOM 731 CD LYS A 94 27.729 4.183 17.494 1.00 17.71 C +ATOM 732 CE LYS A 94 26.943 5.425 17.118 1.00 19.80 C +ATOM 733 NZ LYS A 94 25.832 5.653 18.090 1.00 18.83 N +ATOM 734 N GLU A 95 31.310 0.055 16.735 1.00 13.91 N +ATOM 735 CA GLU A 95 31.980 -1.076 17.363 1.00 14.77 C +ATOM 736 C GLU A 95 33.401 -1.242 16.847 1.00 10.85 C +ATOM 737 O GLU A 95 34.342 -1.449 17.607 1.00 10.94 O +ATOM 738 CB GLU A 95 31.215 -2.378 17.095 1.00 19.37 C +ATOM 739 CG GLU A 95 29.983 -2.637 17.962 1.00 28.33 C +ATOM 740 CD GLU A 95 29.555 -4.123 17.943 1.00 34.01 C +ATOM 741 OE1 GLU A 95 29.724 -4.810 16.897 1.00 34.61 O +ATOM 742 OE2 GLU A 95 29.065 -4.609 18.990 1.00 37.33 O +ATOM 743 N LYS A 96 33.542 -1.179 15.536 1.00 7.42 N +ATOM 744 CA LYS A 96 34.837 -1.349 14.906 1.00 9.01 C +ATOM 745 C LYS A 96 35.811 -0.239 15.317 1.00 9.37 C +ATOM 746 O LYS A 96 36.992 -0.505 15.572 1.00 9.94 O +ATOM 747 CB LYS A 96 34.671 -1.421 13.385 1.00 8.66 C +ATOM 748 CG LYS A 96 35.961 -1.636 12.638 1.00 10.26 C +ATOM 749 CD LYS A 96 35.775 -1.512 11.135 1.00 13.12 C +ATOM 750 CE LYS A 96 34.967 -2.655 10.565 1.00 16.80 C +ATOM 751 NZ LYS A 96 34.799 -2.460 9.092 1.00 18.61 N +ATOM 752 N LEU A 97 35.303 0.988 15.439 1.00 8.81 N +ATOM 753 CA LEU A 97 36.131 2.120 15.836 1.00 9.61 C +ATOM 754 C LEU A 97 36.750 1.853 17.215 1.00 11.70 C +ATOM 755 O LEU A 97 37.979 1.825 17.351 1.00 12.14 O +ATOM 756 CB LEU A 97 35.310 3.418 15.854 1.00 9.08 C +ATOM 757 CG LEU A 97 36.013 4.703 16.327 1.00 9.96 C +ATOM 758 CD1 LEU A 97 37.319 4.919 15.557 1.00 9.00 C +ATOM 759 CD2 LEU A 97 35.073 5.915 16.171 1.00 6.12 C +ATOM 760 N GLU A 98 35.906 1.583 18.210 1.00 10.31 N +ATOM 761 CA GLU A 98 36.384 1.318 19.563 1.00 9.21 C +ATOM 762 C GLU A 98 37.230 0.038 19.680 1.00 10.99 C +ATOM 763 O GLU A 98 38.202 -0.010 20.435 1.00 11.27 O +ATOM 764 CB GLU A 98 35.221 1.273 20.557 1.00 8.84 C +ATOM 765 CG GLU A 98 35.703 1.125 22.008 1.00 12.39 C +ATOM 766 CD GLU A 98 34.662 1.520 23.042 1.00 13.16 C +ATOM 767 OE1 GLU A 98 33.474 1.650 22.696 1.00 15.05 O +ATOM 768 OE2 GLU A 98 35.039 1.716 24.212 1.00 14.71 O +ATOM 769 N ALA A 99 36.856 -0.991 18.931 1.00 11.01 N +ATOM 770 CA ALA A 99 37.584 -2.259 18.943 1.00 12.80 C +ATOM 771 C ALA A 99 39.003 -2.067 18.390 1.00 14.55 C +ATOM 772 O ALA A 99 39.961 -2.649 18.915 1.00 13.20 O +ATOM 773 CB ALA A 99 36.831 -3.315 18.123 1.00 11.18 C +ATOM 774 N THR A 100 39.134 -1.231 17.358 1.00 11.11 N +ATOM 775 CA THR A 100 40.437 -0.957 16.749 1.00 12.43 C +ATOM 776 C THR A 100 41.341 -0.203 17.744 1.00 13.26 C +ATOM 777 O THR A 100 42.528 -0.531 17.913 1.00 13.65 O +ATOM 778 CB THR A 100 40.267 -0.169 15.418 1.00 12.10 C +ATOM 779 OG1 THR A 100 39.407 -0.910 14.544 1.00 10.64 O +ATOM 780 CG2 THR A 100 41.617 0.011 14.712 1.00 10.97 C +ATOM 781 N ILE A 101 40.758 0.768 18.440 1.00 12.45 N +ATOM 782 CA ILE A 101 41.483 1.544 19.430 1.00 11.98 C +ATOM 783 C ILE A 101 42.029 0.625 20.535 1.00 12.81 C +ATOM 784 O ILE A 101 43.154 0.798 20.981 1.00 11.83 O +ATOM 785 CB ILE A 101 40.573 2.642 20.042 1.00 12.52 C +ATOM 786 CG1 ILE A 101 40.290 3.724 18.992 1.00 12.41 C +ATOM 787 CG2 ILE A 101 41.197 3.226 21.326 1.00 12.85 C +ATOM 788 CD1 ILE A 101 39.306 4.826 19.448 1.00 12.67 C +ATOM 789 N ASN A 102 41.266 -0.385 20.943 1.00 13.27 N +ATOM 790 CA ASN A 102 41.739 -1.283 22.002 1.00 15.09 C +ATOM 791 C ASN A 102 42.890 -2.183 21.524 1.00 14.85 C +ATOM 792 O ASN A 102 43.727 -2.601 22.313 1.00 12.07 O +ATOM 793 CB ASN A 102 40.579 -2.122 22.571 1.00 16.45 C +ATOM 794 CG ASN A 102 39.713 -1.335 23.553 1.00 18.88 C +ATOM 795 OD1 ASN A 102 39.999 -1.275 24.756 1.00 20.00 O +ATOM 796 ND2 ASN A 102 38.666 -0.705 23.038 1.00 19.62 N +ATOM 797 N GLU A 103 42.947 -2.424 20.218 1.00 14.44 N +ATOM 798 CA GLU A 103 43.976 -3.263 19.615 1.00 16.29 C +ATOM 799 C GLU A 103 45.314 -2.526 19.445 1.00 17.27 C +ATOM 800 O GLU A 103 46.391 -3.122 19.595 1.00 16.26 O +ATOM 801 CB GLU A 103 43.520 -3.760 18.239 1.00 13.03 C +ATOM 802 CG GLU A 103 44.099 -5.127 17.861 1.00 16.75 C +ATOM 803 CD GLU A 103 45.552 -5.061 17.383 1.00 21.64 C +ATOM 804 OE1 GLU A 103 45.887 -4.256 16.433 1.00 21.54 O +ATOM 805 OE2 GLU A 103 46.442 -5.816 17.933 1.00 21.24 O +ATOM 806 N LEU A 104 45.237 -1.240 19.151 1.00 16.53 N +ATOM 807 CA LEU A 104 46.442 -0.439 18.849 1.00 17.61 C +ATOM 808 C LEU A 104 46.983 0.392 20.037 1.00 18.82 C +ATOM 809 O LEU A 104 48.141 0.828 20.036 1.00 20.60 O +ATOM 810 CB LEU A 104 46.153 0.556 17.725 1.00 15.45 C +ATOM 811 CG LEU A 104 45.954 -0.109 16.359 1.00 15.77 C +ATOM 812 CD1 LEU A 104 45.378 0.852 15.314 1.00 13.84 C +ATOM 813 CD2 LEU A 104 47.254 -0.651 15.760 1.00 12.91 C +ATOM 814 N VAL A 105 46.177 0.631 21.057 1.00 18.73 N +ATOM 815 CA VAL A 105 46.630 1.472 22.195 1.00 21.47 C +ATOM 816 C VAL A 105 47.811 0.845 22.909 1.00 22.76 C +ATOM 817 O VAL A 105 47.841 -0.393 23.052 1.00 23.03 O +ATOM 818 CB VAL A 105 45.500 1.719 23.188 1.00 23.19 C +ATOM 819 CG1 VAL A 105 45.013 0.446 23.869 1.00 24.79 C +ATOM 820 CG2 VAL A 105 45.908 2.681 24.309 1.00 24.56 C +ATOM 821 OXT VAL A 105 48.719 1.608 23.283 1.00 27.01 O Added: SwiftApps/modFTdock/input/1bmp-1.pdb =================================================================== --- SwiftApps/modFTdock/input/1bmp-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/1bmp-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,828 @@ +ATOM 1 N GLN A 36 34.240 52.979 13.722 1.00 39.49 N +ATOM 2 CA GLN A 36 33.616 53.368 12.431 1.00 36.72 C +ATOM 3 C GLN A 36 33.162 52.070 11.745 1.00 30.49 C +ATOM 4 O GLN A 36 32.872 52.074 10.543 1.00 30.60 O +ATOM 5 CB GLN A 36 34.661 54.074 11.560 1.00 45.47 C +ATOM 6 CG GLN A 36 34.419 55.545 11.283 1.00 54.81 C +ATOM 7 CD GLN A 36 35.440 56.119 10.322 1.00 64.37 C +ATOM 8 OE1 GLN A 36 35.138 56.766 9.322 1.00 63.97 O +ATOM 9 NE2 GLN A 36 36.711 55.821 10.604 1.00 69.09 N +ATOM 10 N ALA A 37 33.319 50.976 12.470 1.00 25.56 N +ATOM 11 CA ALA A 37 33.211 49.630 11.876 1.00 24.66 C +ATOM 12 C ALA A 37 31.815 49.465 11.278 1.00 24.33 C +ATOM 13 O ALA A 37 30.906 50.203 11.675 1.00 29.15 O +ATOM 14 CB ALA A 37 33.551 48.539 12.865 1.00 19.46 C +ATOM 15 N CYS A 38 31.678 48.551 10.355 1.00 21.41 N +ATOM 16 CA CYS A 38 30.402 48.274 9.698 1.00 22.06 C +ATOM 17 C CYS A 38 29.415 47.695 10.715 1.00 23.08 C +ATOM 18 O CYS A 38 29.714 46.673 11.330 1.00 22.51 O +ATOM 19 CB CYS A 38 30.557 47.303 8.535 1.00 20.83 C +ATOM 20 SG CYS A 38 28.988 46.617 7.976 1.00 21.73 S +ATOM 21 N LYS A 39 28.288 48.372 10.827 1.00 25.32 N +ATOM 22 CA LYS A 39 27.174 48.008 11.686 1.00 24.55 C +ATOM 23 C LYS A 39 25.860 48.607 11.177 1.00 23.98 C +ATOM 24 O LYS A 39 25.828 49.426 10.234 1.00 23.36 O +ATOM 25 CB LYS A 39 27.383 48.371 13.138 1.00 26.00 C +ATOM 26 CG LYS A 39 28.070 49.702 13.405 1.00 36.63 C +ATOM 27 CD LYS A 39 27.782 50.194 14.818 1.00 40.72 C +ATOM 28 CE LYS A 39 27.686 51.704 14.890 1.00 48.52 C +ATOM 29 NZ LYS A 39 28.976 52.341 14.493 1.00 52.36 N +ATOM 30 N LYS A 40 24.804 48.044 11.738 1.00 21.60 N +ATOM 31 CA LYS A 40 23.425 48.472 11.468 1.00 22.09 C +ATOM 32 C LYS A 40 23.138 49.680 12.371 1.00 25.22 C +ATOM 33 O LYS A 40 23.379 49.554 13.585 1.00 29.47 O +ATOM 34 CB LYS A 40 22.444 47.374 11.885 1.00 22.07 C +ATOM 35 CG LYS A 40 20.971 47.788 11.821 1.00 22.51 C +ATOM 36 CD LYS A 40 20.087 46.557 12.012 1.00 28.59 C +ATOM 37 CE LYS A 40 19.963 46.225 13.488 1.00 34.57 C +ATOM 38 NZ LYS A 40 19.028 45.096 13.713 1.00 40.94 N +ATOM 39 N HIS A 41 22.437 50.639 11.817 1.00 24.32 N +ATOM 40 CA HIS A 41 22.066 51.875 12.525 1.00 24.27 C +ATOM 41 C HIS A 41 20.552 52.087 12.434 1.00 26.35 C +ATOM 42 O HIS A 41 19.900 51.609 11.491 1.00 29.02 O +ATOM 43 CB HIS A 41 22.724 53.120 11.871 1.00 26.11 C +ATOM 44 CG HIS A 41 24.211 52.972 11.780 1.00 27.58 C +ATOM 45 ND1 HIS A 41 25.099 53.690 12.529 1.00 29.09 N +ATOM 46 CD2 HIS A 41 24.945 52.072 11.077 1.00 27.70 C +ATOM 47 CE1 HIS A 41 26.327 53.331 12.203 1.00 32.63 C +ATOM 48 NE2 HIS A 41 26.255 52.310 11.378 1.00 35.56 N +ATOM 49 N GLU A 42 20.062 52.944 13.310 1.00 25.74 N +ATOM 50 CA GLU A 42 18.626 53.229 13.424 1.00 22.69 C +ATOM 51 C GLU A 42 18.205 54.285 12.410 1.00 20.14 C +ATOM 52 O GLU A 42 19.074 54.974 11.860 1.00 23.27 O +ATOM 53 CB GLU A 42 18.230 53.690 14.814 1.00 22.36 C +ATOM 54 CG GLU A 42 18.718 52.822 15.972 1.00 40.60 C +ATOM 55 CD GLU A 42 17.801 52.713 17.149 1.00 52.30 C +ATOM 56 OE1 GLU A 42 16.615 52.988 17.125 1.00 54.81 O +ATOM 57 OE2 GLU A 42 18.369 52.206 18.143 1.00 61.59 O +ATOM 58 N LEU A 43 17.032 54.046 11.853 1.00 16.22 N +ATOM 59 CA LEU A 43 16.386 54.912 10.880 1.00 16.55 C +ATOM 60 C LEU A 43 14.874 54.620 10.902 1.00 19.90 C +ATOM 61 O LEU A 43 14.465 53.453 10.739 1.00 22.05 O +ATOM 62 CB LEU A 43 16.972 54.711 9.471 1.00 11.74 C +ATOM 63 CG LEU A 43 16.327 55.657 8.458 1.00 7.06 C +ATOM 64 CD1 LEU A 43 16.752 57.080 8.788 1.00 4.33 C +ATOM 65 CD2 LEU A 43 16.619 55.274 7.023 1.00 2.00 C +ATOM 66 N TYR A 44 14.126 55.699 11.066 1.00 18.36 N +ATOM 67 CA TYR A 44 12.670 55.639 11.194 1.00 15.27 C +ATOM 68 C TYR A 44 11.951 56.402 10.110 1.00 15.95 C +ATOM 69 O TYR A 44 12.390 57.483 9.665 1.00 22.46 O +ATOM 70 CB TYR A 44 12.220 55.973 12.604 1.00 10.83 C +ATOM 71 CG TYR A 44 10.724 55.881 12.786 1.00 21.80 C +ATOM 72 CD1 TYR A 44 9.884 56.658 11.978 1.00 28.25 C +ATOM 73 CD2 TYR A 44 10.139 54.942 13.628 1.00 23.64 C +ATOM 74 CE1 TYR A 44 8.501 56.630 12.141 1.00 34.01 C +ATOM 75 CE2 TYR A 44 8.753 54.818 13.698 1.00 32.32 C +ATOM 76 CZ TYR A 44 7.934 55.677 12.985 1.00 36.94 C +ATOM 77 OH TYR A 44 6.573 55.575 13.120 1.00 41.22 O +ATOM 78 N VAL A 45 11.113 55.691 9.375 1.00 12.80 N +ATOM 79 CA VAL A 45 10.392 56.308 8.253 1.00 10.72 C +ATOM 80 C VAL A 45 8.974 56.670 8.661 1.00 13.08 C +ATOM 81 O VAL A 45 8.326 55.945 9.438 1.00 15.49 O +ATOM 82 CB VAL A 45 10.538 55.467 6.991 1.00 7.69 C +ATOM 83 CG1 VAL A 45 10.026 56.200 5.750 1.00 2.40 C +ATOM 84 CG2 VAL A 45 12.016 55.088 6.809 1.00 11.30 C +ATOM 85 N SER A 46 8.710 57.967 8.558 1.00 12.98 N +ATOM 86 CA SER A 46 7.361 58.468 8.833 1.00 12.12 C +ATOM 87 C SER A 46 6.644 58.533 7.488 1.00 10.28 C +ATOM 88 O SER A 46 7.151 59.249 6.606 1.00 12.17 O +ATOM 89 CB SER A 46 7.374 59.847 9.467 1.00 16.97 C +ATOM 90 OG SER A 46 6.158 60.002 10.202 1.00 28.25 O +ATOM 91 N PHE A 47 5.656 57.684 7.315 1.00 8.65 N +ATOM 92 CA PHE A 47 4.903 57.683 6.043 1.00 9.76 C +ATOM 93 C PHE A 47 4.617 59.115 5.620 1.00 14.32 C +ATOM 94 O PHE A 47 4.793 59.477 4.443 1.00 16.46 O +ATOM 95 CB PHE A 47 3.722 56.736 6.074 1.00 11.69 C +ATOM 96 CG PHE A 47 4.111 55.285 6.115 1.00 14.12 C +ATOM 97 CD1 PHE A 47 5.087 54.817 5.222 1.00 15.22 C +ATOM 98 CD2 PHE A 47 3.468 54.389 6.946 1.00 9.82 C +ATOM 99 CE1 PHE A 47 5.545 53.512 5.281 1.00 12.19 C +ATOM 100 CE2 PHE A 47 3.817 53.031 6.915 1.00 17.68 C +ATOM 101 CZ PHE A 47 4.892 52.609 6.122 1.00 13.29 C +ATOM 102 N ARG A 48 4.423 59.975 6.609 1.00 16.03 N +ATOM 103 CA ARG A 48 4.225 61.410 6.383 1.00 14.00 C +ATOM 104 C ARG A 48 5.323 62.008 5.524 1.00 14.38 C +ATOM 105 O ARG A 48 5.049 62.795 4.614 1.00 16.35 O +ATOM 106 CB ARG A 48 4.076 62.195 7.678 1.00 16.07 C +ATOM 107 CG ARG A 48 2.633 62.349 8.134 1.00 28.90 C +ATOM 108 CD ARG A 48 2.530 63.163 9.384 1.00 39.56 C +ATOM 109 NE ARG A 48 1.147 63.157 9.860 1.00 51.32 N +ATOM 110 CZ ARG A 48 0.757 63.717 11.006 1.00 53.83 C +ATOM 111 NH1 ARG A 48 1.542 64.567 11.652 1.00 51.41 N +ATOM 112 NH2 ARG A 48 -0.463 63.445 11.467 1.00 56.96 N +ATOM 113 N ASP A 49 6.554 61.703 5.859 1.00 18.59 N +ATOM 114 CA ASP A 49 7.733 62.196 5.154 1.00 22.79 C +ATOM 115 C ASP A 49 7.650 61.790 3.675 1.00 25.79 C +ATOM 116 O ASP A 49 8.475 62.375 2.942 1.00 30.12 O +ATOM 117 CB ASP A 49 9.062 61.734 5.746 1.00 23.42 C +ATOM 118 CG ASP A 49 9.220 62.073 7.213 1.00 31.38 C +ATOM 119 OD1 ASP A 49 8.488 62.938 7.722 1.00 30.93 O +ATOM 120 OD2 ASP A 49 9.988 61.312 7.842 1.00 34.28 O +ATOM 121 N LEU A 50 7.273 60.539 3.464 1.00 27.47 N +ATOM 122 CA LEU A 50 7.371 59.956 2.111 1.00 29.26 C +ATOM 123 C LEU A 50 6.148 60.379 1.280 1.00 30.24 C +ATOM 124 O LEU A 50 6.033 59.874 0.152 1.00 29.54 O +ATOM 125 CB LEU A 50 7.437 58.435 2.228 1.00 29.48 C +ATOM 126 CG LEU A 50 8.695 57.768 2.743 1.00 26.12 C +ATOM 127 CD1 LEU A 50 8.589 56.269 2.450 1.00 22.03 C +ATOM 128 CD2 LEU A 50 9.891 58.370 2.004 1.00 20.13 C +ATOM 129 N GLY A 51 5.167 60.930 1.965 1.00 31.39 N +ATOM 130 CA GLY A 51 3.969 61.481 1.324 1.00 32.89 C +ATOM 131 C GLY A 51 2.854 60.441 1.312 1.00 35.60 C +ATOM 132 O GLY A 51 1.675 60.766 1.076 1.00 36.69 O +ATOM 133 N TRP A 52 3.251 59.202 1.566 1.00 36.20 N +ATOM 134 CA TRP A 52 2.266 58.109 1.648 1.00 38.66 C +ATOM 135 C TRP A 52 1.344 58.374 2.842 1.00 39.73 C +ATOM 136 O TRP A 52 0.679 57.470 3.355 1.00 39.61 O +ATOM 137 CB TRP A 52 2.912 56.753 1.687 1.00 44.87 C +ATOM 138 CG TRP A 52 3.985 56.406 0.726 1.00 54.62 C +ATOM 139 CD1 TRP A 52 4.217 56.918 -0.516 1.00 56.70 C +ATOM 140 CD2 TRP A 52 4.985 55.376 0.920 1.00 58.53 C +ATOM 141 NE1 TRP A 52 5.308 56.310 -1.089 1.00 61.82 N +ATOM 142 CE2 TRP A 52 5.803 55.369 -0.227 1.00 60.73 C +ATOM 143 CE3 TRP A 52 5.270 54.502 1.970 1.00 54.95 C +ATOM 144 CZ2 TRP A 52 6.863 54.481 -0.377 1.00 56.06 C +ATOM 145 CZ3 TRP A 52 6.332 53.637 1.832 1.00 51.06 C +ATOM 146 CH2 TRP A 52 7.124 53.629 0.684 1.00 53.13 C +ATOM 147 N GLN A 53 1.322 59.616 3.267 1.00 43.19 N +ATOM 148 CA GLN A 53 0.626 60.060 4.480 1.00 45.15 C +ATOM 149 C GLN A 53 -0.823 59.579 4.477 1.00 46.00 C +ATOM 150 O GLN A 53 -1.421 59.482 5.559 1.00 46.47 O +ATOM 151 CB GLN A 53 0.648 61.592 4.619 1.00 49.21 C +ATOM 152 CG GLN A 53 1.447 62.289 3.533 1.00 58.25 C +ATOM 153 CD GLN A 53 2.102 63.574 3.993 1.00 66.81 C +ATOM 154 OE1 GLN A 53 2.829 64.259 3.263 1.00 66.26 O +ATOM 155 NE2 GLN A 53 1.761 63.955 5.227 1.00 68.90 N +ATOM 156 N ASP A 54 -1.403 59.475 3.297 1.00 47.08 N +ATOM 157 CA ASP A 54 -2.836 59.496 3.048 1.00 48.22 C +ATOM 158 C ASP A 54 -3.547 58.158 3.015 1.00 49.92 C +ATOM 159 O ASP A 54 -4.633 58.009 3.627 1.00 53.53 O +ATOM 160 CB ASP A 54 -3.153 60.394 1.849 1.00 49.60 C +ATOM 161 CG ASP A 54 -2.009 60.399 0.843 1.00 50.21 C +ATOM 162 OD1 ASP A 54 -1.514 59.320 0.480 1.00 42.99 O +ATOM 163 OD2 ASP A 54 -1.602 61.536 0.504 1.00 50.40 O +ATOM 164 N TRP A 55 -3.129 57.274 2.122 1.00 48.25 N +ATOM 165 CA TRP A 55 -3.732 55.965 1.943 1.00 45.53 C +ATOM 166 C TRP A 55 -3.559 54.991 3.109 1.00 42.25 C +ATOM 167 O TRP A 55 -4.197 53.910 3.002 1.00 43.01 O +ATOM 168 CB TRP A 55 -3.312 55.272 0.665 1.00 49.50 C +ATOM 169 CG TRP A 55 -2.816 56.090 -0.464 1.00 56.68 C +ATOM 170 CD1 TRP A 55 -3.539 56.489 -1.561 1.00 59.57 C +ATOM 171 CD2 TRP A 55 -1.425 56.276 -0.806 1.00 57.02 C +ATOM 172 NE1 TRP A 55 -2.691 56.934 -2.553 1.00 61.90 N +ATOM 173 CE2 TRP A 55 -1.395 56.788 -2.127 1.00 60.53 C +ATOM 174 CE3 TRP A 55 -0.235 56.075 -0.116 1.00 52.88 C +ATOM 175 CZ2 TRP A 55 -0.199 57.099 -2.768 1.00 57.64 C +ATOM 176 CZ3 TRP A 55 0.953 56.309 -0.783 1.00 52.53 C +ATOM 177 CH2 TRP A 55 0.978 56.820 -2.080 1.00 51.34 C +ATOM 178 N ILE A 56 -2.463 55.060 3.835 1.00 37.28 N +ATOM 179 CA ILE A 56 -2.093 54.102 4.882 1.00 30.82 C +ATOM 180 C ILE A 56 -2.848 54.424 6.185 1.00 30.61 C +ATOM 181 O ILE A 56 -2.250 55.177 6.982 1.00 34.59 O +ATOM 182 CB ILE A 56 -0.548 54.254 5.202 1.00 23.84 C +ATOM 183 CG1 ILE A 56 0.292 53.560 4.111 1.00 25.56 C +ATOM 184 CG2 ILE A 56 -0.197 53.739 6.620 1.00 17.41 C +ATOM 185 CD1 ILE A 56 -0.305 53.770 2.682 1.00 34.88 C +ATOM 186 N ILE A 57 -3.771 53.559 6.562 1.00 26.74 N +ATOM 187 CA ILE A 57 -4.348 53.565 7.905 1.00 22.76 C +ATOM 188 C ILE A 57 -3.244 53.360 8.958 1.00 20.94 C +ATOM 189 O ILE A 57 -3.369 53.952 10.057 1.00 23.16 O +ATOM 190 CB ILE A 57 -5.458 52.483 8.098 1.00 25.78 C +ATOM 191 CG1 ILE A 57 -6.601 52.618 7.075 1.00 31.03 C +ATOM 192 CG2 ILE A 57 -5.983 52.430 9.554 1.00 29.41 C +ATOM 193 CD1 ILE A 57 -7.758 51.588 7.310 1.00 33.85 C +ATOM 194 N ALA A 58 -2.498 52.268 8.808 1.00 16.83 N +ATOM 195 CA ALA A 58 -1.550 51.867 9.847 1.00 16.83 C +ATOM 196 C ALA A 58 -0.366 51.145 9.241 1.00 17.85 C +ATOM 197 O ALA A 58 -0.761 50.325 8.396 1.00 18.64 O +ATOM 198 CB ALA A 58 -2.133 51.131 11.022 1.00 11.13 C +ATOM 199 N PRO A 59 0.771 51.165 9.911 1.00 15.63 N +ATOM 200 CA PRO A 59 1.230 52.179 10.845 1.00 15.07 C +ATOM 201 C PRO A 59 1.530 53.555 10.306 1.00 17.14 C +ATOM 202 O PRO A 59 1.362 53.873 9.116 1.00 17.02 O +ATOM 203 CB PRO A 59 2.424 51.518 11.510 1.00 11.66 C +ATOM 204 CG PRO A 59 3.085 50.774 10.383 1.00 6.76 C +ATOM 205 CD PRO A 59 1.992 50.548 9.373 1.00 12.66 C +ATOM 206 N GLU A 60 1.946 54.447 11.221 1.00 18.84 N +ATOM 207 CA GLU A 60 2.411 55.763 10.776 1.00 23.60 C +ATOM 208 C GLU A 60 3.671 55.646 9.901 1.00 23.87 C +ATOM 209 O GLU A 60 3.835 56.368 8.914 1.00 24.53 O +ATOM 210 CB GLU A 60 2.799 56.788 11.847 1.00 27.59 C +ATOM 211 CG GLU A 60 3.843 57.779 11.281 1.00 42.97 C +ATOM 212 CD GLU A 60 4.568 58.665 12.240 1.00 50.51 C +ATOM 213 OE1 GLU A 60 5.612 58.381 12.807 1.00 46.04 O +ATOM 214 OE2 GLU A 60 4.055 59.815 12.276 1.00 56.62 O +ATOM 215 N GLY A 61 4.671 55.031 10.494 1.00 25.91 N +ATOM 216 CA GLY A 61 5.981 54.777 9.880 1.00 25.34 C +ATOM 217 C GLY A 61 6.547 53.482 10.456 1.00 22.80 C +ATOM 218 O GLY A 61 5.804 52.754 11.129 1.00 24.34 O +ATOM 219 N TYR A 62 7.844 53.289 10.301 1.00 21.49 N +ATOM 220 CA TYR A 62 8.459 52.046 10.811 1.00 22.30 C +ATOM 221 C TYR A 62 9.957 52.184 11.016 1.00 24.56 C +ATOM 222 O TYR A 62 10.554 53.246 10.785 1.00 27.57 O +ATOM 223 CB TYR A 62 8.099 50.910 9.843 1.00 17.44 C +ATOM 224 CG TYR A 62 8.703 51.092 8.476 1.00 13.50 C +ATOM 225 CD1 TYR A 62 8.063 51.815 7.464 1.00 18.34 C +ATOM 226 CD2 TYR A 62 9.860 50.394 8.141 1.00 17.45 C +ATOM 227 CE1 TYR A 62 8.648 51.970 6.199 1.00 19.00 C +ATOM 228 CE2 TYR A 62 10.401 50.444 6.858 1.00 18.28 C +ATOM 229 CZ TYR A 62 9.822 51.278 5.916 1.00 21.06 C +ATOM 230 OH TYR A 62 10.481 51.409 4.724 1.00 35.18 O +ATOM 231 N ALA A 63 10.531 51.147 11.612 1.00 22.11 N +ATOM 232 CA ALA A 63 11.993 51.037 11.789 1.00 15.49 C +ATOM 233 C ALA A 63 12.578 50.361 10.550 1.00 14.86 C +ATOM 234 O ALA A 63 12.276 49.179 10.302 1.00 18.60 O +ATOM 235 CB ALA A 63 12.276 50.215 13.040 1.00 4.66 C +ATOM 236 N ALA A 64 13.279 51.128 9.740 1.00 13.27 N +ATOM 237 CA ALA A 64 13.832 50.593 8.483 1.00 14.75 C +ATOM 238 C ALA A 64 15.285 50.148 8.721 1.00 16.07 C +ATOM 239 O ALA A 64 15.872 49.383 7.948 1.00 16.59 O +ATOM 240 CB ALA A 64 13.804 51.697 7.432 1.00 15.71 C +ATOM 241 N TYR A 65 15.913 50.916 9.589 1.00 15.98 N +ATOM 242 CA TYR A 65 17.353 50.743 9.888 1.00 10.29 C +ATOM 243 C TYR A 65 18.147 51.030 8.626 1.00 8.17 C +ATOM 244 O TYR A 65 17.607 51.208 7.516 1.00 3.29 O +ATOM 245 CB TYR A 65 17.498 49.290 10.383 1.00 12.79 C +ATOM 246 CG TYR A 65 16.854 49.070 11.737 1.00 18.08 C +ATOM 247 CD1 TYR A 65 17.359 49.697 12.876 1.00 17.38 C +ATOM 248 CD2 TYR A 65 15.730 48.268 11.870 1.00 18.80 C +ATOM 249 CE1 TYR A 65 16.708 49.597 14.105 1.00 19.85 C +ATOM 250 CE2 TYR A 65 15.067 48.144 13.086 1.00 19.58 C +ATOM 251 CZ TYR A 65 15.555 48.814 14.199 1.00 25.66 C +ATOM 252 OH TYR A 65 14.903 48.640 15.394 1.00 33.34 O +ATOM 253 N TYR A 66 19.452 51.037 8.776 1.00 12.75 N +ATOM 254 CA TYR A 66 20.352 51.149 7.604 1.00 16.55 C +ATOM 255 C TYR A 66 21.738 50.655 8.002 1.00 15.74 C +ATOM 256 O TYR A 66 22.046 50.639 9.212 1.00 14.92 O +ATOM 257 CB TYR A 66 20.347 52.561 7.032 1.00 18.70 C +ATOM 258 CG TYR A 66 21.096 53.604 7.830 1.00 19.12 C +ATOM 259 CD1 TYR A 66 20.534 54.169 8.972 1.00 28.39 C +ATOM 260 CD2 TYR A 66 22.283 54.155 7.360 1.00 18.55 C +ATOM 261 CE1 TYR A 66 21.185 55.166 9.691 1.00 31.86 C +ATOM 262 CE2 TYR A 66 22.992 55.091 8.101 1.00 19.99 C +ATOM 263 CZ TYR A 66 22.474 55.534 9.309 1.00 25.15 C +ATOM 264 OH TYR A 66 23.150 56.494 9.998 1.00 32.60 O +ATOM 265 N CYS A 67 22.427 50.090 7.032 1.00 14.81 N +ATOM 266 CA CYS A 67 23.822 49.622 7.233 1.00 14.92 C +ATOM 267 C CYS A 67 24.780 50.788 6.924 1.00 16.79 C +ATOM 268 O CYS A 67 24.836 51.300 5.790 1.00 11.23 O +ATOM 269 CB CYS A 67 24.122 48.487 6.228 1.00 13.56 C +ATOM 270 SG CYS A 67 23.178 46.988 6.672 1.00 9.72 S +ATOM 271 N GLU A 68 25.667 50.999 7.891 1.00 19.09 N +ATOM 272 CA GLU A 68 26.813 51.882 7.645 1.00 21.02 C +ATOM 273 C GLU A 68 28.007 51.473 8.494 1.00 25.23 C +ATOM 274 O GLU A 68 27.869 51.094 9.670 1.00 29.10 O +ATOM 275 CB GLU A 68 26.495 53.336 7.957 1.00 16.59 C +ATOM 276 CG GLU A 68 27.325 54.371 7.198 1.00 20.23 C +ATOM 277 CD GLU A 68 27.264 55.759 7.762 1.00 25.85 C +ATOM 278 OE1 GLU A 68 26.880 55.997 8.897 1.00 29.52 O +ATOM 279 OE2 GLU A 68 27.515 56.622 6.889 1.00 27.39 O +ATOM 280 N GLY A 69 29.167 51.803 7.948 1.00 24.50 N +ATOM 281 CA GLY A 69 30.435 51.567 8.670 1.00 24.88 C +ATOM 282 C GLY A 69 31.475 51.120 7.644 1.00 25.89 C +ATOM 283 O GLY A 69 31.169 50.987 6.443 1.00 25.63 O +ATOM 284 N GLU A 70 32.644 50.815 8.186 1.00 27.14 N +ATOM 285 CA GLU A 70 33.775 50.451 7.327 1.00 27.47 C +ATOM 286 C GLU A 70 33.997 48.936 7.371 1.00 24.65 C +ATOM 287 O GLU A 70 33.990 48.396 8.478 1.00 24.81 O +ATOM 288 CB GLU A 70 35.082 51.091 7.782 1.00 32.62 C +ATOM 289 CG GLU A 70 35.989 51.568 6.646 1.00 41.92 C +ATOM 290 CD GLU A 70 37.210 52.327 7.083 1.00 52.94 C +ATOM 291 OE1 GLU A 70 37.679 52.273 8.211 1.00 49.85 O +ATOM 292 OE2 GLU A 70 37.659 52.992 6.123 1.00 57.98 O +ATOM 293 N CYS A 71 34.464 48.455 6.232 1.00 23.53 N +ATOM 294 CA CYS A 71 34.905 47.084 6.015 1.00 21.71 C +ATOM 295 C CYS A 71 36.401 46.957 5.728 1.00 20.57 C +ATOM 296 O CYS A 71 36.832 46.968 4.568 1.00 20.06 O +ATOM 297 CB CYS A 71 34.131 46.465 4.850 1.00 17.98 C +ATOM 298 SG CYS A 71 32.421 46.249 5.278 1.00 14.43 S +ATOM 299 N ALA A 72 37.103 46.728 6.814 1.00 18.15 N +ATOM 300 CA ALA A 72 38.573 46.650 6.789 1.00 20.49 C +ATOM 301 C ALA A 72 39.002 45.807 7.982 1.00 21.77 C +ATOM 302 O ALA A 72 38.177 45.492 8.861 1.00 21.86 O +ATOM 303 CB ALA A 72 39.123 48.067 6.844 1.00 26.83 C +ATOM 304 N PHE A 73 40.222 45.304 7.883 1.00 22.70 N +ATOM 305 CA PHE A 73 40.706 44.401 8.970 1.00 20.49 C +ATOM 306 C PHE A 73 40.834 45.226 10.233 1.00 18.01 C +ATOM 307 O PHE A 73 40.990 46.436 9.953 1.00 19.57 O +ATOM 308 CB PHE A 73 41.967 43.668 8.548 1.00 16.10 C +ATOM 309 CG PHE A 73 41.981 43.022 7.191 1.00 4.29 C +ATOM 310 CD1 PHE A 73 41.357 41.798 7.002 1.00 5.30 C +ATOM 311 CD2 PHE A 73 42.863 43.464 6.213 1.00 3.42 C +ATOM 312 CE1 PHE A 73 41.455 41.111 5.802 1.00 7.03 C +ATOM 313 CE2 PHE A 73 42.903 42.864 4.955 1.00 9.04 C +ATOM 314 CZ PHE A 73 42.200 41.666 4.753 1.00 13.43 C +ATOM 315 N PRO A 74 40.308 44.821 11.359 1.00 17.10 N +ATOM 316 CA PRO A 74 39.943 43.445 11.690 1.00 19.52 C +ATOM 317 C PRO A 74 38.551 43.260 11.054 1.00 22.54 C +ATOM 318 O PRO A 74 37.760 44.203 11.201 1.00 26.38 O +ATOM 319 CB PRO A 74 39.780 43.361 13.200 1.00 18.52 C +ATOM 320 CG PRO A 74 40.477 44.583 13.720 1.00 22.65 C +ATOM 321 CD PRO A 74 40.371 45.593 12.601 1.00 20.16 C +ATOM 322 N LEU A 75 38.458 42.258 10.209 1.00 23.43 N +ATOM 323 CA LEU A 75 37.138 41.780 9.760 1.00 22.95 C +ATOM 324 C LEU A 75 36.660 40.754 10.790 1.00 28.20 C +ATOM 325 O LEU A 75 36.689 39.537 10.534 1.00 28.97 O +ATOM 326 CB LEU A 75 37.295 41.235 8.342 1.00 16.15 C +ATOM 327 CG LEU A 75 36.540 41.949 7.232 1.00 15.93 C +ATOM 328 CD1 LEU A 75 36.619 43.458 7.477 1.00 23.06 C +ATOM 329 CD2 LEU A 75 37.176 41.631 5.884 1.00 18.61 C +ATOM 330 N ASN A 76 36.226 41.266 11.937 1.00 34.35 N +ATOM 331 CA ASN A 76 35.572 40.417 12.948 1.00 42.69 C +ATOM 332 C ASN A 76 34.380 39.677 12.331 1.00 45.64 C +ATOM 333 O ASN A 76 33.701 40.139 11.401 1.00 45.79 O +ATOM 334 CB ASN A 76 35.230 41.144 14.238 1.00 50.30 C +ATOM 335 CG ASN A 76 36.035 42.416 14.442 1.00 53.73 C +ATOM 336 OD1 ASN A 76 36.641 42.639 15.498 1.00 56.15 O +ATOM 337 ND2 ASN A 76 36.132 43.183 13.355 1.00 58.64 N +ATOM 338 N SER A 77 34.079 38.571 12.987 1.00 47.34 N +ATOM 339 CA SER A 77 33.066 37.603 12.551 1.00 46.12 C +ATOM 340 C SER A 77 31.663 38.180 12.692 1.00 47.28 C +ATOM 341 O SER A 77 30.775 37.873 11.870 1.00 48.67 O +ATOM 342 CB SER A 77 33.216 36.331 13.381 1.00 42.24 C +ATOM 343 OG SER A 77 33.423 36.689 14.741 1.00 40.42 O +ATOM 344 N TYR A 78 31.427 38.868 13.805 1.00 47.65 N +ATOM 345 CA TYR A 78 30.106 39.486 13.995 1.00 48.66 C +ATOM 346 C TYR A 78 30.041 40.813 13.244 1.00 43.10 C +ATOM 347 O TYR A 78 29.755 41.850 13.854 1.00 44.03 O +ATOM 348 CB TYR A 78 29.537 39.490 15.401 1.00 59.16 C +ATOM 349 CG TYR A 78 28.830 38.196 15.776 1.00 74.20 C +ATOM 350 CD1 TYR A 78 28.814 37.121 14.876 1.00 78.90 C +ATOM 351 CD2 TYR A 78 28.285 37.997 17.043 1.00 78.19 C +ATOM 352 CE1 TYR A 78 28.238 35.901 15.217 1.00 84.16 C +ATOM 353 CE2 TYR A 78 27.711 36.779 17.404 1.00 83.28 C +ATOM 354 CZ TYR A 78 27.694 35.731 16.492 1.00 85.83 C +ATOM 355 OH TYR A 78 27.188 34.520 16.886 1.00 85.89 O +ATOM 356 N MET A 79 30.486 40.708 12.013 1.00 34.25 N +ATOM 357 CA MET A 79 30.744 41.775 11.039 1.00 25.08 C +ATOM 358 C MET A 79 30.596 41.089 9.667 1.00 20.10 C +ATOM 359 O MET A 79 30.676 41.708 8.610 1.00 17.49 O +ATOM 360 CB MET A 79 32.131 42.379 11.199 1.00 22.53 C +ATOM 361 CG MET A 79 32.515 43.272 10.060 1.00 26.34 C +ATOM 362 SD MET A 79 33.916 44.345 10.616 1.00 29.00 S +ATOM 363 CE MET A 79 33.314 44.772 12.245 1.00 20.67 C +ATOM 364 N ASN A 80 30.173 39.849 9.787 1.00 20.72 N +ATOM 365 CA ASN A 80 29.798 38.962 8.694 1.00 23.89 C +ATOM 366 C ASN A 80 30.447 39.381 7.387 1.00 23.03 C +ATOM 367 O ASN A 80 29.828 40.097 6.588 1.00 24.58 O +ATOM 368 CB ASN A 80 28.297 38.697 8.607 1.00 33.08 C +ATOM 369 CG ASN A 80 27.852 38.024 7.316 1.00 46.30 C +ATOM 370 OD1 ASN A 80 28.039 38.536 6.195 1.00 44.92 O +ATOM 371 ND2 ASN A 80 27.199 36.857 7.438 1.00 49.29 N +ATOM 372 N ALA A 81 31.561 38.755 7.070 1.00 24.70 N +ATOM 373 CA ALA A 81 32.258 39.058 5.791 1.00 22.74 C +ATOM 374 C ALA A 81 32.232 37.765 4.981 1.00 21.78 C +ATOM 375 O ALA A 81 32.329 36.706 5.627 1.00 25.59 O +ATOM 376 CB ALA A 81 33.678 39.512 6.110 1.00 19.18 C +ATOM 377 N THR A 82 32.026 37.853 3.681 1.00 17.43 N +ATOM 378 CA THR A 82 32.181 36.644 2.855 1.00 16.73 C +ATOM 379 C THR A 82 33.661 36.462 2.521 1.00 21.40 C +ATOM 380 O THR A 82 34.455 37.387 2.758 1.00 25.92 O +ATOM 381 CB THR A 82 31.326 36.728 1.542 1.00 13.88 C +ATOM 382 OG1 THR A 82 31.727 37.948 0.868 1.00 7.95 O +ATOM 383 CG2 THR A 82 29.829 36.572 1.760 1.00 14.83 C +ATOM 384 N ASN A 83 33.956 35.395 1.802 1.00 21.15 N +ATOM 385 CA ASN A 83 35.336 35.066 1.429 1.00 18.89 C +ATOM 386 C ASN A 83 35.852 36.155 0.489 1.00 18.03 C +ATOM 387 O ASN A 83 36.951 36.684 0.634 1.00 21.40 O +ATOM 388 CB ASN A 83 35.443 33.685 0.781 1.00 23.25 C +ATOM 389 CG ASN A 83 35.444 32.573 1.824 1.00 23.91 C +ATOM 390 OD1 ASN A 83 35.625 32.869 3.013 1.00 24.72 O +ATOM 391 ND2 ASN A 83 35.033 31.394 1.380 1.00 24.06 N +ATOM 392 N HIS A 84 35.029 36.389 -0.507 1.00 16.50 N +ATOM 393 CA HIS A 84 35.324 37.446 -1.498 1.00 14.83 C +ATOM 394 C HIS A 84 35.675 38.744 -0.786 1.00 17.13 C +ATOM 395 O HIS A 84 36.728 39.357 -1.060 1.00 17.90 O +ATOM 396 CB HIS A 84 34.246 37.587 -2.566 1.00 6.40 C +ATOM 397 CG HIS A 84 34.611 38.540 -3.648 1.00 5.38 C +ATOM 398 ND1 HIS A 84 34.666 39.905 -3.494 1.00 4.32 N +ATOM 399 CD2 HIS A 84 34.855 38.283 -4.963 1.00 6.90 C +ATOM 400 CE1 HIS A 84 35.023 40.431 -4.659 1.00 9.58 C +ATOM 401 NE2 HIS A 84 35.129 39.484 -5.580 1.00 3.11 N +ATOM 402 N ALA A 85 34.988 39.004 0.321 1.00 16.69 N +ATOM 403 CA ALA A 85 35.184 40.209 1.116 1.00 16.97 C +ATOM 404 C ALA A 85 36.610 40.263 1.661 1.00 19.18 C +ATOM 405 O ALA A 85 37.069 41.382 1.984 1.00 25.32 O +ATOM 406 CB ALA A 85 34.181 40.340 2.253 1.00 17.56 C +ATOM 407 N ILE A 86 37.095 39.118 2.133 1.00 15.53 N +ATOM 408 CA ILE A 86 38.459 39.064 2.657 1.00 12.35 C +ATOM 409 C ILE A 86 39.491 39.287 1.546 1.00 12.15 C +ATOM 410 O ILE A 86 40.396 40.125 1.697 1.00 16.77 O +ATOM 411 CB ILE A 86 38.767 37.771 3.454 1.00 10.33 C +ATOM 412 CG1 ILE A 86 37.904 37.707 4.722 1.00 15.37 C +ATOM 413 CG2 ILE A 86 40.288 37.646 3.731 1.00 9.97 C +ATOM 414 CD1 ILE A 86 37.780 36.294 5.336 1.00 11.80 C +ATOM 415 N VAL A 87 39.431 38.461 0.525 1.00 6.77 N +ATOM 416 CA VAL A 87 40.319 38.617 -0.627 1.00 3.86 C +ATOM 417 C VAL A 87 40.349 40.104 -0.993 1.00 9.66 C +ATOM 418 O VAL A 87 41.385 40.772 -0.864 1.00 13.54 O +ATOM 419 CB VAL A 87 39.838 37.762 -1.810 1.00 4.10 C +ATOM 420 CG1 VAL A 87 40.203 38.456 -3.108 1.00 6.84 C +ATOM 421 CG2 VAL A 87 40.296 36.332 -1.764 1.00 5.45 C +ATOM 422 N GLN A 88 39.174 40.639 -1.269 1.00 14.11 N +ATOM 423 CA GLN A 88 39.032 42.026 -1.746 1.00 12.42 C +ATOM 424 C GLN A 88 39.510 43.011 -0.696 1.00 9.84 C +ATOM 425 O GLN A 88 40.340 43.893 -0.968 1.00 11.94 O +ATOM 426 CB GLN A 88 37.705 42.390 -2.356 1.00 15.51 C +ATOM 427 CG GLN A 88 37.203 43.775 -2.008 1.00 19.62 C +ATOM 428 CD GLN A 88 36.137 44.275 -2.957 1.00 13.59 C +ATOM 429 OE1 GLN A 88 35.650 43.529 -3.785 1.00 25.40 O +ATOM 430 NE2 GLN A 88 35.676 45.490 -2.711 1.00 14.45 N +ATOM 431 N THR A 89 39.143 42.734 0.557 1.00 5.58 N +ATOM 432 CA THR A 89 39.706 43.621 1.591 1.00 6.26 C +ATOM 433 C THR A 89 41.229 43.535 1.509 1.00 13.45 C +ATOM 434 O THR A 89 41.880 44.454 2.029 1.00 20.72 O +ATOM 435 CB THR A 89 39.199 43.359 3.049 1.00 2.92 C +ATOM 436 OG1 THR A 89 37.820 43.812 3.061 1.00 8.18 O +ATOM 437 CG2 THR A 89 40.018 44.137 4.098 1.00 5.18 C +ATOM 438 N LEU A 90 41.764 42.414 1.062 1.00 14.43 N +ATOM 439 CA LEU A 90 43.218 42.158 1.179 1.00 13.47 C +ATOM 440 C LEU A 90 43.923 42.759 -0.036 1.00 13.64 C +ATOM 441 O LEU A 90 44.705 43.705 0.119 1.00 16.98 O +ATOM 442 CB LEU A 90 43.487 40.649 1.263 1.00 14.62 C +ATOM 443 CG LEU A 90 44.977 40.288 1.200 1.00 13.82 C +ATOM 444 CD1 LEU A 90 45.588 40.558 2.565 1.00 10.92 C +ATOM 445 CD2 LEU A 90 45.097 38.805 0.831 1.00 13.12 C +ATOM 446 N VAL A 91 43.494 42.289 -1.203 1.00 8.77 N +ATOM 447 CA VAL A 91 44.007 42.885 -2.453 1.00 7.03 C +ATOM 448 C VAL A 91 44.101 44.403 -2.286 1.00 10.22 C +ATOM 449 O VAL A 91 44.849 45.064 -3.004 1.00 13.43 O +ATOM 450 CB VAL A 91 43.081 42.571 -3.635 1.00 6.87 C +ATOM 451 CG1 VAL A 91 43.555 43.343 -4.871 1.00 8.19 C +ATOM 452 CG2 VAL A 91 43.065 41.085 -3.932 1.00 11.46 C +ATOM 453 N HIS A 92 43.037 44.936 -1.730 1.00 17.38 N +ATOM 454 CA HIS A 92 42.911 46.396 -1.528 1.00 19.48 C +ATOM 455 C HIS A 92 44.216 46.872 -0.861 1.00 17.38 C +ATOM 456 O HIS A 92 44.899 47.758 -1.388 1.00 16.65 O +ATOM 457 CB HIS A 92 41.752 46.748 -0.555 1.00 18.40 C +ATOM 458 CG HIS A 92 41.695 48.228 -0.301 1.00 18.94 C +ATOM 459 ND1 HIS A 92 41.624 49.178 -1.296 1.00 17.14 N +ATOM 460 CD2 HIS A 92 41.768 48.905 0.872 1.00 15.47 C +ATOM 461 CE1 HIS A 92 41.599 50.369 -0.730 1.00 20.21 C +ATOM 462 NE2 HIS A 92 41.632 50.225 0.576 1.00 14.02 N +ATOM 463 N PHE A 93 44.399 46.317 0.315 1.00 17.27 N +ATOM 464 CA PHE A 93 45.536 46.620 1.188 1.00 23.20 C +ATOM 465 C PHE A 93 46.865 46.514 0.451 1.00 29.50 C +ATOM 466 O PHE A 93 47.814 47.252 0.771 1.00 36.43 O +ATOM 467 CB PHE A 93 45.533 45.803 2.479 1.00 21.34 C +ATOM 468 CG PHE A 93 46.892 45.421 2.966 1.00 25.35 C +ATOM 469 CD1 PHE A 93 47.652 44.502 2.234 1.00 35.37 C +ATOM 470 CD2 PHE A 93 47.484 46.107 4.030 1.00 25.97 C +ATOM 471 CE1 PHE A 93 48.930 44.140 2.657 1.00 37.75 C +ATOM 472 CE2 PHE A 93 48.782 45.785 4.436 1.00 32.15 C +ATOM 473 CZ PHE A 93 49.535 44.844 3.707 1.00 31.97 C +ATOM 474 N ILE A 94 46.978 45.581 -0.468 1.00 27.28 N +ATOM 475 CA ILE A 94 48.181 45.447 -1.299 1.00 24.47 C +ATOM 476 C ILE A 94 48.241 46.611 -2.295 1.00 25.92 C +ATOM 477 O ILE A 94 49.309 46.962 -2.822 1.00 27.85 O +ATOM 478 CB ILE A 94 48.156 44.083 -2.051 1.00 21.82 C +ATOM 479 CG1 ILE A 94 48.718 42.923 -1.201 1.00 20.63 C +ATOM 480 CG2 ILE A 94 48.782 44.124 -3.461 1.00 20.80 C +ATOM 481 CD1 ILE A 94 48.410 41.553 -1.901 1.00 25.25 C +ATOM 482 N ASN A 95 47.071 47.020 -2.740 1.00 27.83 N +ATOM 483 CA ASN A 95 46.969 47.855 -3.957 1.00 28.49 C +ATOM 484 C ASN A 95 45.647 48.621 -3.943 1.00 26.51 C +ATOM 485 O ASN A 95 44.763 48.340 -4.758 1.00 25.51 O +ATOM 486 CB ASN A 95 47.109 46.915 -5.159 1.00 35.14 C +ATOM 487 CG ASN A 95 48.076 47.503 -6.178 1.00 52.59 C +ATOM 488 OD1 ASN A 95 48.209 48.739 -6.211 1.00 60.24 O +ATOM 489 ND2 ASN A 95 48.720 46.632 -6.951 1.00 58.52 N +ATOM 490 N PRO A 96 45.660 49.681 -3.155 1.00 25.34 N +ATOM 491 CA PRO A 96 44.465 50.524 -2.973 1.00 29.72 C +ATOM 492 C PRO A 96 43.913 50.893 -4.341 1.00 36.22 C +ATOM 493 O PRO A 96 42.773 50.541 -4.684 1.00 39.83 O +ATOM 494 CB PRO A 96 45.017 51.751 -2.240 1.00 26.62 C +ATOM 495 CG PRO A 96 46.117 51.144 -1.388 1.00 26.28 C +ATOM 496 CD PRO A 96 46.790 50.167 -2.353 1.00 21.01 C +ATOM 497 N GLU A 97 44.785 51.509 -5.118 1.00 40.58 N +ATOM 498 CA GLU A 97 44.405 51.916 -6.484 1.00 45.53 C +ATOM 499 C GLU A 97 43.628 50.784 -7.146 1.00 42.42 C +ATOM 500 O GLU A 97 42.583 50.980 -7.788 1.00 43.58 O +ATOM 501 CB GLU A 97 45.641 52.241 -7.312 1.00 59.65 C +ATOM 502 CG GLU A 97 46.821 52.960 -6.679 1.00 74.54 C +ATOM 503 CD GLU A 97 46.579 54.267 -5.985 1.00 84.84 C +ATOM 504 OE1 GLU A 97 45.917 55.192 -6.434 1.00 88.22 O +ATOM 505 OE2 GLU A 97 47.208 54.354 -4.900 1.00 86.77 O +ATOM 506 N THR A 98 44.038 49.563 -6.857 1.00 39.76 N +ATOM 507 CA THR A 98 43.512 48.373 -7.538 1.00 38.55 C +ATOM 508 C THR A 98 42.018 48.147 -7.297 1.00 32.94 C +ATOM 509 O THR A 98 41.302 47.616 -8.185 1.00 31.74 O +ATOM 510 CB THR A 98 44.337 47.088 -7.097 1.00 41.66 C +ATOM 511 OG1 THR A 98 45.712 47.336 -7.508 1.00 41.52 O +ATOM 512 CG2 THR A 98 43.768 45.784 -7.654 1.00 46.80 C +ATOM 513 N VAL A 99 41.620 48.370 -6.048 1.00 21.60 N +ATOM 514 CA VAL A 99 40.292 47.944 -5.602 1.00 16.34 C +ATOM 515 C VAL A 99 39.982 48.583 -4.240 1.00 18.22 C +ATOM 516 O VAL A 99 40.838 48.601 -3.332 1.00 16.12 O +ATOM 517 CB VAL A 99 40.279 46.406 -5.548 1.00 17.39 C +ATOM 518 CG1 VAL A 99 40.137 45.856 -4.133 1.00 18.05 C +ATOM 519 CG2 VAL A 99 39.260 45.781 -6.475 1.00 22.92 C +ATOM 520 N PRO A 100 38.673 48.810 -4.077 1.00 17.14 N +ATOM 521 CA PRO A 100 38.123 49.424 -2.868 1.00 13.11 C +ATOM 522 C PRO A 100 37.884 48.385 -1.789 1.00 14.01 C +ATOM 523 O PRO A 100 37.735 47.198 -2.111 1.00 21.64 O +ATOM 524 CB PRO A 100 36.804 50.022 -3.329 1.00 14.48 C +ATOM 525 CG PRO A 100 36.486 49.441 -4.671 1.00 14.99 C +ATOM 526 CD PRO A 100 37.676 48.675 -5.152 1.00 15.32 C +ATOM 527 N LYS A 101 37.707 48.806 -0.551 1.00 12.90 N +ATOM 528 CA LYS A 101 37.192 47.863 0.465 1.00 12.42 C +ATOM 529 C LYS A 101 35.796 47.432 0.032 1.00 15.43 C +ATOM 530 O LYS A 101 35.125 48.105 -0.762 1.00 19.37 O +ATOM 531 CB LYS A 101 37.118 48.554 1.814 1.00 15.12 C +ATOM 532 CG LYS A 101 38.159 49.658 2.016 1.00 22.34 C +ATOM 533 CD LYS A 101 38.914 49.441 3.321 1.00 33.28 C +ATOM 534 CE LYS A 101 39.160 50.763 4.027 1.00 42.76 C +ATOM 535 NZ LYS A 101 39.152 50.586 5.504 1.00 44.49 N +ATOM 536 N PRO A 102 35.346 46.287 0.530 1.00 16.38 N +ATOM 537 CA PRO A 102 33.919 45.921 0.338 1.00 16.56 C +ATOM 538 C PRO A 102 33.052 46.995 0.991 1.00 17.65 C +ATOM 539 O PRO A 102 33.432 47.426 2.102 1.00 21.43 O +ATOM 540 CB PRO A 102 33.798 44.579 1.025 1.00 10.49 C +ATOM 541 CG PRO A 102 35.065 44.295 1.752 1.00 8.18 C +ATOM 542 CD PRO A 102 35.929 45.535 1.660 1.00 16.55 C +ATOM 543 N CYS A 103 31.811 47.123 0.546 1.00 17.51 N +ATOM 544 CA CYS A 103 30.818 47.991 1.167 1.00 16.82 C +ATOM 545 C CYS A 103 29.997 47.313 2.233 1.00 12.98 C +ATOM 546 O CYS A 103 29.528 46.197 2.009 1.00 14.05 O +ATOM 547 CB CYS A 103 30.041 48.908 0.284 1.00 25.06 C +ATOM 548 SG CYS A 103 28.672 48.283 -0.688 1.00 38.61 S +ATOM 549 N CYS A 104 29.695 48.023 3.289 1.00 13.35 N +ATOM 550 CA CYS A 104 28.776 47.579 4.364 1.00 15.26 C +ATOM 551 C CYS A 104 27.317 47.619 3.931 1.00 17.77 C +ATOM 552 O CYS A 104 26.710 48.691 3.832 1.00 20.74 O +ATOM 553 CB CYS A 104 29.057 48.452 5.563 1.00 13.99 C +ATOM 554 SG CYS A 104 28.079 48.154 7.027 1.00 27.20 S +ATOM 555 N ALA A 105 26.753 46.495 3.543 1.00 18.95 N +ATOM 556 CA ALA A 105 25.393 46.331 3.057 1.00 18.57 C +ATOM 557 C ALA A 105 24.600 45.383 3.942 1.00 21.50 C +ATOM 558 O ALA A 105 25.190 44.660 4.766 1.00 25.36 O +ATOM 559 CB ALA A 105 25.354 45.873 1.611 1.00 18.71 C +ATOM 560 N PRO A 106 23.282 45.476 3.815 1.00 22.88 N +ATOM 561 CA PRO A 106 22.371 44.645 4.642 1.00 22.22 C +ATOM 562 C PRO A 106 22.383 43.216 4.103 1.00 18.68 C +ATOM 563 O PRO A 106 22.481 43.008 2.879 1.00 16.24 O +ATOM 564 CB PRO A 106 21.023 45.338 4.471 1.00 24.91 C +ATOM 565 CG PRO A 106 21.090 45.955 3.102 1.00 25.85 C +ATOM 566 CD PRO A 106 22.538 46.371 2.924 1.00 23.45 C +ATOM 567 N THR A 107 22.450 42.288 5.028 1.00 18.27 N +ATOM 568 CA THR A 107 22.635 40.862 4.722 1.00 22.61 C +ATOM 569 C THR A 107 21.293 40.130 4.822 1.00 30.96 C +ATOM 570 O THR A 107 20.986 39.247 3.984 1.00 36.96 O +ATOM 571 CB THR A 107 23.714 40.218 5.688 1.00 15.40 C +ATOM 572 OG1 THR A 107 23.160 40.406 7.040 1.00 21.73 O +ATOM 573 CG2 THR A 107 25.076 40.943 5.617 1.00 20.66 C +ATOM 574 N GLN A 108 20.433 40.624 5.699 1.00 31.16 N +ATOM 575 CA GLN A 108 19.060 40.144 5.832 1.00 29.57 C +ATOM 576 C GLN A 108 18.027 41.256 5.960 1.00 26.98 C +ATOM 577 O GLN A 108 18.083 42.123 6.848 1.00 24.57 O +ATOM 578 CB GLN A 108 18.925 39.077 6.902 1.00 35.77 C +ATOM 579 CG GLN A 108 19.519 39.484 8.241 1.00 50.12 C +ATOM 580 CD GLN A 108 19.379 38.362 9.253 1.00 63.57 C +ATOM 581 OE1 GLN A 108 18.290 38.097 9.763 1.00 65.52 O +ATOM 582 NE2 GLN A 108 20.478 37.625 9.404 1.00 66.60 N +ATOM 583 N LEU A 109 16.963 41.074 5.197 1.00 27.07 N +ATOM 584 CA LEU A 109 15.784 41.933 5.145 1.00 26.22 C +ATOM 585 C LEU A 109 14.513 41.205 5.622 1.00 29.91 C +ATOM 586 O LEU A 109 14.085 40.223 4.986 1.00 34.08 O +ATOM 587 CB LEU A 109 15.619 42.370 3.666 1.00 14.99 C +ATOM 588 CG LEU A 109 16.752 43.270 3.185 1.00 9.38 C +ATOM 589 CD1 LEU A 109 16.534 43.599 1.714 1.00 10.27 C +ATOM 590 CD2 LEU A 109 16.700 44.530 4.063 1.00 4.59 C +ATOM 591 N ASN A 110 13.699 42.007 6.282 1.00 30.25 N +ATOM 592 CA ASN A 110 12.371 41.628 6.787 1.00 28.96 C +ATOM 593 C ASN A 110 11.310 42.497 6.098 1.00 26.32 C +ATOM 594 O ASN A 110 11.515 43.699 5.898 1.00 25.33 O +ATOM 595 CB ASN A 110 12.401 41.807 8.309 1.00 35.39 C +ATOM 596 CG ASN A 110 12.078 40.532 9.059 1.00 48.61 C +ATOM 597 OD1 ASN A 110 11.066 40.475 9.782 1.00 57.74 O +ATOM 598 ND2 ASN A 110 12.873 39.489 8.818 1.00 55.47 N +ATOM 599 N ALA A 111 10.212 41.856 5.735 1.00 25.50 N +ATOM 600 CA ALA A 111 9.042 42.522 5.139 1.00 20.70 C +ATOM 601 C ALA A 111 8.241 43.229 6.238 1.00 18.22 C +ATOM 602 O ALA A 111 8.496 43.083 7.444 1.00 15.83 O +ATOM 603 CB ALA A 111 8.148 41.573 4.353 1.00 8.03 C +ATOM 604 N ILE A 112 7.404 44.129 5.744 1.00 19.91 N +ATOM 605 CA ILE A 112 6.428 44.810 6.597 1.00 20.73 C +ATOM 606 C ILE A 112 5.030 44.718 5.983 1.00 18.11 C +ATOM 607 O ILE A 112 4.876 44.358 4.803 1.00 14.36 O +ATOM 608 CB ILE A 112 6.854 46.236 7.024 1.00 24.35 C +ATOM 609 CG1 ILE A 112 6.654 47.278 5.904 1.00 24.16 C +ATOM 610 CG2 ILE A 112 8.211 46.352 7.742 1.00 23.25 C +ATOM 611 CD1 ILE A 112 6.213 48.662 6.469 1.00 24.47 C +ATOM 612 N SER A 113 4.068 44.926 6.865 1.00 19.29 N +ATOM 613 CA SER A 113 2.650 45.003 6.487 1.00 19.90 C +ATOM 614 C SER A 113 2.082 46.356 6.916 1.00 18.93 C +ATOM 615 O SER A 113 2.328 46.850 8.026 1.00 18.00 O +ATOM 616 CB SER A 113 1.849 43.854 7.064 1.00 20.14 C +ATOM 617 OG SER A 113 2.724 42.846 7.578 1.00 30.27 O +ATOM 618 N VAL A 114 1.476 47.008 5.937 1.00 18.05 N +ATOM 619 CA VAL A 114 0.729 48.258 6.205 1.00 17.80 C +ATOM 620 C VAL A 114 -0.727 47.978 5.798 1.00 19.78 C +ATOM 621 O VAL A 114 -0.955 47.322 4.760 1.00 19.56 O +ATOM 622 CB VAL A 114 1.378 49.387 5.366 1.00 14.56 C +ATOM 623 CG1 VAL A 114 2.899 49.250 5.334 1.00 17.17 C +ATOM 624 CG2 VAL A 114 0.844 49.358 3.947 1.00 2.49 C +ATOM 625 N LEU A 115 -1.633 48.538 6.573 1.00 20.16 N +ATOM 626 CA LEU A 115 -3.080 48.504 6.231 1.00 20.66 C +ATOM 627 C LEU A 115 -3.468 49.841 5.600 1.00 23.00 C +ATOM 628 O LEU A 115 -3.305 50.888 6.249 1.00 24.93 O +ATOM 629 CB LEU A 115 -3.808 48.244 7.556 1.00 19.26 C +ATOM 630 CG LEU A 115 -5.322 48.331 7.556 1.00 14.33 C +ATOM 631 CD1 LEU A 115 -5.896 46.998 7.098 1.00 19.38 C +ATOM 632 CD2 LEU A 115 -5.800 48.682 8.964 1.00 9.64 C +ATOM 633 N TYR A 116 -4.036 49.779 4.405 1.00 24.66 N +ATOM 634 CA TYR A 116 -4.425 51.017 3.712 1.00 26.83 C +ATOM 635 C TYR A 116 -5.743 50.899 2.950 1.00 26.07 C +ATOM 636 O TYR A 116 -6.250 49.810 2.664 1.00 21.81 O +ATOM 637 CB TYR A 116 -3.298 51.438 2.739 1.00 29.04 C +ATOM 638 CG TYR A 116 -3.140 50.439 1.613 1.00 34.81 C +ATOM 639 CD1 TYR A 116 -2.688 49.146 1.872 1.00 34.28 C +ATOM 640 CD2 TYR A 116 -3.607 50.729 0.339 1.00 38.17 C +ATOM 641 CE1 TYR A 116 -2.530 48.227 0.836 1.00 40.45 C +ATOM 642 CE2 TYR A 116 -3.572 49.777 -0.677 1.00 45.17 C +ATOM 643 CZ TYR A 116 -3.037 48.520 -0.426 1.00 45.80 C +ATOM 644 OH TYR A 116 -2.883 47.659 -1.482 1.00 44.23 O +ATOM 645 N PHE A 117 -6.213 52.069 2.548 1.00 27.60 N +ATOM 646 CA PHE A 117 -7.414 52.239 1.728 1.00 30.49 C +ATOM 647 C PHE A 117 -6.970 52.200 0.256 1.00 32.71 C +ATOM 648 O PHE A 117 -6.574 53.275 -0.227 1.00 32.67 O +ATOM 649 CB PHE A 117 -8.100 53.586 1.977 1.00 36.04 C +ATOM 650 CG PHE A 117 -8.507 53.898 3.379 1.00 51.40 C +ATOM 651 CD1 PHE A 117 -9.390 53.060 4.062 1.00 57.66 C +ATOM 652 CD2 PHE A 117 -8.077 55.072 3.996 1.00 60.32 C +ATOM 653 CE1 PHE A 117 -9.808 53.355 5.351 1.00 63.37 C +ATOM 654 CE2 PHE A 117 -8.456 55.383 5.305 1.00 65.33 C +ATOM 655 CZ PHE A 117 -9.334 54.511 5.973 1.00 68.45 C +ATOM 656 N ASP A 118 -7.238 51.097 -0.411 1.00 36.91 N +ATOM 657 CA ASP A 118 -7.060 51.106 -1.887 1.00 43.09 C +ATOM 658 C ASP A 118 -8.146 52.047 -2.432 1.00 47.08 C +ATOM 659 O ASP A 118 -8.891 52.643 -1.640 1.00 46.90 O +ATOM 660 CB ASP A 118 -7.124 49.714 -2.484 1.00 47.40 C +ATOM 661 CG ASP A 118 -8.542 49.263 -2.796 1.00 50.88 C +ATOM 662 OD1 ASP A 118 -9.371 49.144 -1.876 1.00 51.77 O +ATOM 663 OD2 ASP A 118 -8.823 49.095 -4.003 1.00 54.87 O +ATOM 664 N ASP A 119 -8.154 52.150 -3.747 1.00 51.43 N +ATOM 665 CA ASP A 119 -9.304 52.802 -4.431 1.00 56.88 C +ATOM 666 C ASP A 119 -10.557 52.081 -3.886 1.00 57.45 C +ATOM 667 O ASP A 119 -10.430 51.104 -3.123 1.00 57.61 O +ATOM 668 CB ASP A 119 -9.139 52.598 -5.938 1.00 66.59 C +ATOM 669 CG ASP A 119 -8.454 53.751 -6.645 1.00 77.82 C +ATOM 670 OD1 ASP A 119 -8.966 54.887 -6.645 1.00 82.42 O +ATOM 671 OD2 ASP A 119 -7.457 53.454 -7.345 1.00 84.74 O +ATOM 672 N SER A 120 -11.704 52.504 -4.397 1.00 54.46 N +ATOM 673 CA SER A 120 -12.948 51.743 -4.130 1.00 48.80 C +ATOM 674 C SER A 120 -13.311 51.878 -2.650 1.00 43.57 C +ATOM 675 O SER A 120 -14.451 51.585 -2.255 1.00 45.34 O +ATOM 676 CB SER A 120 -12.726 50.271 -4.464 1.00 51.25 C +ATOM 677 OG SER A 120 -12.065 50.072 -5.698 1.00 52.23 O +ATOM 678 N SER A 121 -12.304 52.165 -1.853 1.00 38.43 N +ATOM 679 CA SER A 121 -12.442 52.395 -0.416 1.00 35.47 C +ATOM 680 C SER A 121 -12.539 51.078 0.352 1.00 31.96 C +ATOM 681 O SER A 121 -12.985 51.078 1.512 1.00 29.64 O +ATOM 682 CB SER A 121 -13.557 53.340 -0.043 1.00 38.89 C +ATOM 683 OG SER A 121 -14.173 53.915 -1.187 1.00 47.45 O +ATOM 684 N ASN A 122 -11.912 50.072 -0.228 1.00 30.58 N +ATOM 685 CA ASN A 122 -11.626 48.798 0.466 1.00 29.10 C +ATOM 686 C ASN A 122 -10.424 49.054 1.380 1.00 26.09 C +ATOM 687 O ASN A 122 -9.499 49.765 0.959 1.00 28.61 O +ATOM 688 CB ASN A 122 -11.392 47.673 -0.553 1.00 32.40 C +ATOM 689 CG ASN A 122 -12.325 47.773 -1.749 1.00 34.18 C +ATOM 690 OD1 ASN A 122 -13.094 48.742 -1.866 1.00 36.92 O +ATOM 691 ND2 ASN A 122 -12.146 46.923 -2.751 1.00 34.33 N +ATOM 692 N VAL A 123 -10.541 48.661 2.627 1.00 23.84 N +ATOM 693 CA VAL A 123 -9.415 48.681 3.572 1.00 22.89 C +ATOM 694 C VAL A 123 -8.556 47.422 3.350 1.00 23.57 C +ATOM 695 O VAL A 123 -8.958 46.390 3.928 1.00 25.25 O +ATOM 696 CB VAL A 123 -9.964 48.658 5.022 1.00 18.44 C +ATOM 697 CG1 VAL A 123 -8.910 48.029 5.946 1.00 23.87 C +ATOM 698 CG2 VAL A 123 -10.326 50.050 5.502 1.00 17.15 C +ATOM 699 N ILE A 124 -7.319 47.583 2.909 1.00 23.05 N +ATOM 700 CA ILE A 124 -6.451 46.442 2.667 1.00 21.31 C +ATOM 701 C ILE A 124 -5.214 46.234 3.496 1.00 22.16 C +ATOM 702 O ILE A 124 -4.752 47.122 4.248 1.00 23.02 O +ATOM 703 CB ILE A 124 -6.281 46.176 1.150 1.00 16.04 C +ATOM 704 CG1 ILE A 124 -4.861 45.620 0.900 1.00 26.48 C +ATOM 705 CG2 ILE A 124 -6.608 47.402 0.289 1.00 19.84 C +ATOM 706 CD1 ILE A 124 -4.602 45.323 -0.610 1.00 39.18 C +ATOM 707 N LEU A 125 -4.703 44.992 3.447 1.00 22.13 N +ATOM 708 CA LEU A 125 -3.429 44.642 4.121 1.00 21.80 C +ATOM 709 C LEU A 125 -2.394 44.192 3.070 1.00 25.43 C +ATOM 710 O LEU A 125 -2.557 43.079 2.534 1.00 25.55 O +ATOM 711 CB LEU A 125 -3.701 43.486 5.092 1.00 16.75 C +ATOM 712 CG LEU A 125 -2.577 43.108 6.036 1.00 6.46 C +ATOM 713 CD1 LEU A 125 -2.490 44.145 7.167 1.00 8.88 C +ATOM 714 CD2 LEU A 125 -2.967 41.793 6.736 1.00 13.85 C +ATOM 715 N LYS A 126 -1.344 44.993 2.935 1.00 25.70 N +ATOM 716 CA LYS A 126 -0.196 44.667 2.095 1.00 24.38 C +ATOM 717 C LYS A 126 1.045 44.360 2.932 1.00 23.91 C +ATOM 718 O LYS A 126 1.365 45.008 3.936 1.00 20.74 O +ATOM 719 CB LYS A 126 0.167 45.665 1.031 1.00 26.24 C +ATOM 720 CG LYS A 126 -0.948 46.102 0.095 1.00 41.82 C +ATOM 721 CD LYS A 126 -0.445 46.415 -1.308 1.00 49.66 C +ATOM 722 CE LYS A 126 0.998 46.007 -1.524 1.00 59.33 C +ATOM 723 NZ LYS A 126 1.107 44.552 -1.819 1.00 64.83 N +ATOM 724 N LYS A 127 1.769 43.378 2.415 1.00 28.95 N +ATOM 725 CA LYS A 127 3.094 42.990 2.943 1.00 29.58 C +ATOM 726 C LYS A 127 4.125 43.476 1.911 1.00 27.49 C +ATOM 727 O LYS A 127 3.975 43.121 0.738 1.00 25.74 O +ATOM 728 CB LYS A 127 3.245 41.474 3.031 1.00 31.16 C +ATOM 729 CG LYS A 127 4.647 41.009 3.420 1.00 35.17 C +ATOM 730 CD LYS A 127 4.611 40.141 4.672 1.00 42.41 C +ATOM 731 CE LYS A 127 5.282 38.799 4.469 1.00 47.07 C +ATOM 732 NZ LYS A 127 5.180 38.364 3.046 1.00 48.84 N +ATOM 733 N TYR A 128 4.873 44.474 2.313 1.00 27.99 N +ATOM 734 CA TYR A 128 6.023 44.955 1.509 1.00 27.18 C +ATOM 735 C TYR A 128 7.232 44.171 2.054 1.00 26.63 C +ATOM 736 O TYR A 128 7.318 43.972 3.280 1.00 25.16 O +ATOM 737 CB TYR A 128 6.240 46.465 1.804 1.00 28.95 C +ATOM 738 CG TYR A 128 5.132 47.308 1.224 1.00 28.00 C +ATOM 739 CD1 TYR A 128 4.799 47.159 -0.126 1.00 32.56 C +ATOM 740 CD2 TYR A 128 4.297 48.059 2.043 1.00 32.54 C +ATOM 741 CE1 TYR A 128 3.689 47.805 -0.667 1.00 36.25 C +ATOM 742 CE2 TYR A 128 3.248 48.794 1.493 1.00 35.95 C +ATOM 743 CZ TYR A 128 2.895 48.588 0.165 1.00 41.59 C +ATOM 744 OH TYR A 128 1.753 49.177 -0.308 1.00 50.27 O +ATOM 745 N ARG A 129 7.904 43.525 1.130 1.00 28.63 N +ATOM 746 CA ARG A 129 9.033 42.660 1.525 1.00 33.60 C +ATOM 747 C ARG A 129 10.317 43.478 1.375 1.00 30.38 C +ATOM 748 O ARG A 129 10.297 44.535 0.709 1.00 27.72 O +ATOM 749 CB ARG A 129 9.044 41.357 0.740 1.00 46.64 C +ATOM 750 CG ARG A 129 8.615 40.105 1.505 1.00 59.61 C +ATOM 751 CD ARG A 129 9.611 39.667 2.528 1.00 68.44 C +ATOM 752 NE ARG A 129 9.011 39.090 3.724 1.00 75.83 N +ATOM 753 CZ ARG A 129 9.662 38.423 4.681 1.00 78.45 C +ATOM 754 NH1 ARG A 129 10.866 37.882 4.490 1.00 79.45 N +ATOM 755 NH2 ARG A 129 9.111 38.290 5.894 1.00 73.27 N +ATOM 756 N ASN A 130 11.256 43.169 2.260 1.00 27.91 N +ATOM 757 CA ASN A 130 12.623 43.706 2.159 1.00 24.66 C +ATOM 758 C ASN A 130 12.632 45.188 2.529 1.00 24.12 C +ATOM 759 O ASN A 130 13.240 45.965 1.785 1.00 26.26 O +ATOM 760 CB ASN A 130 13.149 43.510 0.730 1.00 23.00 C +ATOM 761 CG ASN A 130 13.562 42.075 0.458 1.00 23.98 C +ATOM 762 OD1 ASN A 130 13.961 41.366 1.393 1.00 26.78 O +ATOM 763 ND2 ASN A 130 13.358 41.625 -0.775 1.00 20.78 N +ATOM 764 N MET A 131 11.923 45.534 3.575 1.00 22.76 N +ATOM 765 CA MET A 131 11.707 46.924 3.975 1.00 20.20 C +ATOM 766 C MET A 131 12.576 47.249 5.181 1.00 23.14 C +ATOM 767 O MET A 131 13.156 48.353 5.214 1.00 30.66 O +ATOM 768 CB MET A 131 10.245 47.245 4.217 1.00 19.18 C +ATOM 769 CG MET A 131 9.393 47.144 2.996 1.00 11.13 C +ATOM 770 SD MET A 131 9.728 48.613 1.954 1.00 18.22 S +ATOM 771 CE MET A 131 8.938 49.872 2.971 1.00 13.08 C +ATOM 772 N VAL A 132 12.600 46.348 6.135 1.00 19.76 N +ATOM 773 CA VAL A 132 13.466 46.469 7.320 1.00 18.83 C +ATOM 774 C VAL A 132 14.816 45.778 7.067 1.00 19.07 C +ATOM 775 O VAL A 132 14.898 44.627 6.607 1.00 19.40 O +ATOM 776 CB VAL A 132 12.762 45.814 8.537 1.00 18.29 C +ATOM 777 CG1 VAL A 132 13.409 46.214 9.856 1.00 14.60 C +ATOM 778 CG2 VAL A 132 11.271 46.073 8.545 1.00 23.30 C +ATOM 779 N VAL A 133 15.844 46.389 7.636 1.00 20.93 N +ATOM 780 CA VAL A 133 17.185 45.761 7.663 1.00 17.59 C +ATOM 781 C VAL A 133 17.258 45.087 9.047 1.00 20.35 C +ATOM 782 O VAL A 133 17.196 45.843 10.022 1.00 20.23 O +ATOM 783 CB VAL A 133 18.309 46.811 7.534 1.00 11.45 C +ATOM 784 CG1 VAL A 133 19.438 46.515 8.506 1.00 9.32 C +ATOM 785 CG2 VAL A 133 18.838 46.925 6.122 1.00 6.03 C +ATOM 786 N ARG A 134 17.660 43.836 9.014 1.00 23.54 N +ATOM 787 CA ARG A 134 17.798 43.015 10.225 1.00 23.02 C +ATOM 788 C ARG A 134 19.256 42.941 10.660 1.00 21.02 C +ATOM 789 O ARG A 134 19.581 42.899 11.853 1.00 17.59 O +ATOM 790 CB ARG A 134 17.261 41.608 9.947 1.00 26.61 C +ATOM 791 CG ARG A 134 16.509 41.001 11.121 1.00 43.62 C +ATOM 792 CD ARG A 134 16.418 41.965 12.269 1.00 50.11 C +ATOM 793 NE ARG A 134 15.031 41.993 12.764 1.00 58.58 N +ATOM 794 CZ ARG A 134 14.081 41.365 12.043 1.00 64.35 C +ATOM 795 NH1 ARG A 134 14.121 41.374 10.706 1.00 58.53 N +ATOM 796 NH2 ARG A 134 13.295 40.485 12.669 1.00 69.85 N +ATOM 797 N ALA A 135 20.109 42.900 9.649 1.00 22.39 N +ATOM 798 CA ALA A 135 21.553 42.747 9.841 1.00 21.32 C +ATOM 799 C ALA A 135 22.337 43.237 8.630 1.00 21.32 C +ATOM 800 O ALA A 135 22.054 42.945 7.464 1.00 18.05 O +ATOM 801 CB ALA A 135 21.935 41.318 10.166 1.00 22.73 C +ATOM 802 N CYS A 136 23.465 43.805 9.015 1.00 22.35 N +ATOM 803 CA CYS A 136 24.447 44.383 8.055 1.00 19.21 C +ATOM 804 C CYS A 136 25.650 43.422 8.005 1.00 18.18 C +ATOM 805 O CYS A 136 25.988 42.846 9.073 1.00 19.10 O +ATOM 806 CB CYS A 136 24.891 45.702 8.740 1.00 21.68 C +ATOM 807 SG CYS A 136 23.554 46.942 8.691 1.00 11.77 S +ATOM 808 N GLY A 137 26.453 43.587 6.956 1.00 12.19 N +ATOM 809 CA GLY A 137 27.826 43.055 7.040 1.00 11.92 C +ATOM 810 C GLY A 137 28.609 43.304 5.779 1.00 15.75 C +ATOM 811 O GLY A 137 28.029 43.576 4.712 1.00 20.73 O +ATOM 812 N CYS A 138 29.877 42.922 5.857 1.00 15.77 N +ATOM 813 CA CYS A 138 30.840 43.213 4.753 1.00 16.87 C +ATOM 814 C CYS A 138 30.751 42.134 3.697 1.00 19.28 C +ATOM 815 O CYS A 138 30.714 40.964 4.091 1.00 22.74 O +ATOM 816 CB CYS A 138 32.217 43.298 5.395 1.00 10.01 C +ATOM 817 SG CYS A 138 32.277 44.708 6.566 1.00 17.78 S +ATOM 818 N HIS A 139 30.408 42.465 2.478 1.00 23.96 N +ATOM 819 CA HIS A 139 30.066 41.451 1.467 1.00 27.70 C +ATOM 820 C HIS A 139 30.729 41.780 0.129 1.00 32.30 C +ATOM 821 O HIS A 139 30.804 42.995 -0.208 1.00 31.27 O +ATOM 822 CB HIS A 139 28.542 41.320 1.238 1.00 33.33 C +ATOM 823 CG HIS A 139 27.884 40.315 2.128 1.00 41.24 C +ATOM 824 ND1 HIS A 139 27.557 39.037 1.739 1.00 44.78 N +ATOM 825 CD2 HIS A 139 27.493 40.420 3.425 1.00 44.19 C +ATOM 826 CE1 HIS A 139 27.036 38.388 2.770 1.00 45.54 C +ATOM 827 NE2 HIS A 139 27.078 39.168 3.821 1.00 45.97 N +ATOM 828 OXT HIS A 139 31.051 40.778 -0.540 1.00 40.60 O Added: SwiftApps/modFTdock/input/1cdz-1.pdb =================================================================== --- SwiftApps/modFTdock/input/1cdz-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/1cdz-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,808 @@ +ATOM 1 N GLU A 1 42.636 -0.836 0.536 1.00 74.96 N +ATOM 2 CA GLU A 1 42.874 -0.508 1.978 1.00 74.96 C +ATOM 3 C GLU A 1 44.235 -0.990 2.540 1.00 74.96 C +ATOM 4 O GLU A 1 45.270 -1.017 1.844 1.00102.45 O +ATOM 5 CB GLU A 1 41.682 -1.009 2.850 1.00102.45 C +ATOM 6 CG GLU A 1 41.796 -2.400 3.551 1.00102.45 C +ATOM 7 CD GLU A 1 42.245 -3.523 2.618 1.00102.45 C +ATOM 8 OE1 GLU A 1 41.387 -4.044 1.873 1.00102.45 O +ATOM 9 OE2 GLU A 1 43.449 -3.890 2.622 1.00102.45 O +ATOM 10 N LEU A 2 44.199 -1.349 3.819 1.00 64.85 N +ATOM 11 CA LEU A 2 45.348 -1.813 4.546 1.00 64.85 C +ATOM 12 C LEU A 2 45.560 -3.298 4.540 1.00 64.85 C +ATOM 13 O LEU A 2 44.743 -4.071 5.066 1.00 39.52 O +ATOM 14 CB LEU A 2 45.285 -1.340 5.995 1.00 39.52 C +ATOM 15 CG LEU A 2 45.391 0.167 6.169 1.00 39.52 C +ATOM 16 CD1 LEU A 2 45.713 0.445 7.604 1.00 39.52 C +ATOM 17 CD2 LEU A 2 46.473 0.728 5.249 1.00 39.52 C +ATOM 18 N PRO A 3 46.693 -3.712 3.970 1.00 50.83 N +ATOM 19 CA PRO A 3 47.117 -5.103 3.863 1.00 50.83 C +ATOM 20 C PRO A 3 47.376 -5.530 5.285 1.00 50.83 C +ATOM 21 O PRO A 3 47.905 -4.747 6.076 1.00 41.98 O +ATOM 22 CB PRO A 3 48.429 -4.989 3.104 1.00 41.98 C +ATOM 23 CG PRO A 3 48.954 -3.636 3.525 1.00 41.98 C +ATOM 24 CD PRO A 3 47.716 -2.806 3.422 1.00 41.98 C +ATOM 25 N ASP A 4 46.979 -6.747 5.630 1.00 33.71 N +ATOM 26 CA ASP A 4 47.198 -7.202 6.998 1.00 33.71 C +ATOM 27 C ASP A 4 48.098 -8.422 7.210 1.00 33.71 C +ATOM 28 O ASP A 4 47.768 -9.320 7.993 1.00 63.53 O +ATOM 29 CB ASP A 4 45.870 -7.324 7.791 1.00 63.53 C +ATOM 30 CG ASP A 4 44.689 -7.821 6.951 1.00 63.53 C +ATOM 31 OD1 ASP A 4 44.860 -8.748 6.106 1.00 63.53 O +ATOM 32 OD2 ASP A 4 43.577 -7.274 7.181 1.00 63.53 O +ATOM 33 N PHE A 5 49.298 -8.364 6.627 1.00 35.51 N +ATOM 34 CA PHE A 5 50.233 -9.467 6.746 1.00 35.51 C +ATOM 35 C PHE A 5 50.825 -9.769 8.073 1.00 35.51 C +ATOM 36 O PHE A 5 51.301 -10.884 8.290 1.00 29.52 O +ATOM 37 CB PHE A 5 51.324 -9.459 5.708 1.00 29.52 C +ATOM 38 CG PHE A 5 51.754 -8.126 5.271 1.00 29.52 C +ATOM 39 CD1 PHE A 5 52.615 -7.393 6.034 1.00 29.52 C +ATOM 40 CD2 PHE A 5 51.443 -7.689 3.983 1.00 29.52 C +ATOM 41 CE1 PHE A 5 53.195 -6.240 5.517 1.00 29.52 C +ATOM 42 CE2 PHE A 5 52.003 -6.547 3.447 1.00 29.52 C +ATOM 43 CZ PHE A 5 52.890 -5.816 4.212 1.00 29.52 C +ATOM 44 N PHE A 6 50.800 -8.810 8.977 1.00 12.76 N +ATOM 45 CA PHE A 6 51.330 -9.095 10.313 1.00 12.76 C +ATOM 46 C PHE A 6 50.238 -9.699 11.200 1.00 12.76 C +ATOM 47 O PHE A 6 50.413 -9.861 12.420 1.00 45.59 O +ATOM 48 CB PHE A 6 51.998 -7.862 10.954 1.00 45.59 C +ATOM 49 CG PHE A 6 53.290 -7.458 10.290 1.00 45.59 C +ATOM 50 CD1 PHE A 6 53.610 -7.912 9.021 1.00 45.59 C +ATOM 51 CD2 PHE A 6 54.172 -6.621 10.927 1.00 45.59 C +ATOM 52 CE1 PHE A 6 54.785 -7.533 8.404 1.00 45.59 C +ATOM 53 CE2 PHE A 6 55.357 -6.236 10.310 1.00 45.59 C +ATOM 54 CZ PHE A 6 55.660 -6.695 9.045 1.00 45.59 C +ATOM 55 N GLN A 7 49.144 -10.070 10.535 1.00 18.40 N +ATOM 56 CA GLN A 7 47.985 -10.693 11.146 1.00 18.40 C +ATOM 57 C GLN A 7 48.003 -10.955 12.649 1.00 18.40 C +ATOM 58 O GLN A 7 47.476 -10.153 13.433 1.00 89.61 O +ATOM 59 CB GLN A 7 47.636 -11.998 10.414 1.00 89.61 C +ATOM 60 CG GLN A 7 46.574 -11.839 9.325 1.00 89.61 C +ATOM 61 CD GLN A 7 45.338 -11.097 9.821 1.00 89.61 C +ATOM 62 OE1 GLN A 7 44.993 -11.167 11.004 1.00 89.61 O +ATOM 63 NE2 GLN A 7 44.673 -10.373 8.918 1.00 89.61 N +ATOM 64 N GLY A 8 48.601 -12.064 13.060 1.00 28.11 N +ATOM 65 CA GLY A 8 48.591 -12.370 14.479 1.00 28.11 C +ATOM 66 C GLY A 8 49.964 -12.541 15.049 1.00 28.11 C +ATOM 67 O GLY A 8 50.177 -13.320 15.987 1.00 55.22 O +ATOM 68 N LYS A 9 50.880 -11.746 14.508 1.00 22.64 N +ATOM 69 CA LYS A 9 52.262 -11.792 14.911 1.00 22.64 C +ATOM 70 C LYS A 9 52.600 -10.687 15.893 1.00 22.64 C +ATOM 71 O LYS A 9 52.293 -9.540 15.666 1.00 37.27 O +ATOM 72 CB LYS A 9 53.126 -11.711 13.661 1.00 37.27 C +ATOM 73 CG LYS A 9 52.624 -12.600 12.543 1.00 37.27 C +ATOM 74 CD LYS A 9 53.520 -12.478 11.334 1.00 37.27 C +ATOM 75 CE LYS A 9 52.951 -13.191 10.123 1.00 37.27 C +ATOM 76 NZ LYS A 9 52.675 -14.646 10.396 1.00 37.27 N +ATOM 77 N HIS A 10 53.201 -11.060 17.006 1.00 17.02 N +ATOM 78 CA HIS A 10 53.613 -10.114 18.024 1.00 17.02 C +ATOM 79 C HIS A 10 55.033 -9.643 17.901 1.00 17.02 C +ATOM 80 O HIS A 10 55.958 -10.419 17.631 1.00 29.94 O +ATOM 81 CB HIS A 10 53.394 -10.700 19.390 1.00 29.94 C +ATOM 82 CG HIS A 10 51.993 -11.141 19.578 1.00 29.94 C +ATOM 83 ND1 HIS A 10 51.242 -11.627 18.526 1.00 29.94 N +ATOM 84 CD2 HIS A 10 51.179 -11.121 20.656 1.00 29.94 C +ATOM 85 CE1 HIS A 10 50.021 -11.892 18.953 1.00 29.94 C +ATOM 86 NE2 HIS A 10 49.956 -11.593 20.241 1.00 29.94 N +ATOM 87 N PHE A 11 55.207 -8.346 18.104 1.00 20.50 N +ATOM 88 CA PHE A 11 56.521 -7.780 18.013 1.00 20.50 C +ATOM 89 C PHE A 11 56.996 -7.151 19.259 1.00 20.50 C +ATOM 90 O PHE A 11 56.237 -6.921 20.179 1.00 9.71 O +ATOM 91 CB PHE A 11 56.564 -6.781 16.939 1.00 9.71 C +ATOM 92 CG PHE A 11 56.203 -7.332 15.640 1.00 9.71 C +ATOM 93 CD1 PHE A 11 54.930 -7.826 15.426 1.00 9.71 C +ATOM 94 CD2 PHE A 11 57.103 -7.275 14.594 1.00 9.71 C +ATOM 95 CE1 PHE A 11 54.538 -8.245 14.191 1.00 9.71 C +ATOM 96 CE2 PHE A 11 56.730 -7.688 13.341 1.00 9.71 C +ATOM 97 CZ PHE A 11 55.426 -8.180 13.133 1.00 9.71 C +ATOM 98 N PHE A 12 58.297 -6.941 19.303 1.00 25.15 N +ATOM 99 CA PHE A 12 58.908 -6.324 20.435 1.00 25.15 C +ATOM 100 C PHE A 12 60.068 -5.561 19.919 1.00 25.15 C +ATOM 101 O PHE A 12 60.887 -6.086 19.174 1.00 26.84 O +ATOM 102 CB PHE A 12 59.392 -7.331 21.400 1.00 26.84 C +ATOM 103 CG PHE A 12 59.833 -6.729 22.641 1.00 26.84 C +ATOM 104 CD1 PHE A 12 58.914 -6.204 23.517 1.00 26.84 C +ATOM 105 CD2 PHE A 12 61.155 -6.698 22.975 1.00 26.84 C +ATOM 106 CE1 PHE A 12 59.311 -5.657 24.731 1.00 26.84 C +ATOM 107 CE2 PHE A 12 61.563 -6.153 24.189 1.00 26.84 C +ATOM 108 CZ PHE A 12 60.639 -5.634 25.069 1.00 26.84 C +ATOM 109 N LEU A 13 60.090 -4.280 20.241 1.00 23.99 N +ATOM 110 CA LEU A 13 61.171 -3.450 19.774 1.00 23.99 C +ATOM 111 C LEU A 13 62.136 -3.541 20.910 1.00 23.99 C +ATOM 112 O LEU A 13 61.798 -3.173 22.040 1.00 26.00 O +ATOM 113 CB LEU A 13 60.665 -2.045 19.548 1.00 26.00 C +ATOM 114 CG LEU A 13 59.420 -2.027 18.654 1.00 26.00 C +ATOM 115 CD1 LEU A 13 59.488 -0.834 17.745 1.00 26.00 C +ATOM 116 CD2 LEU A 13 59.353 -3.238 17.758 1.00 26.00 C +ATOM 117 N TYR A 14 63.292 -4.139 20.648 1.00 34.72 N +ATOM 118 CA TYR A 14 64.252 -4.316 21.714 1.00 34.72 C +ATOM 119 C TYR A 14 65.214 -3.182 21.894 1.00 34.72 C +ATOM 120 O TYR A 14 65.417 -2.653 23.021 1.00 23.49 O +ATOM 121 CB TYR A 14 65.059 -5.583 21.528 1.00 23.49 C +ATOM 122 CG TYR A 14 65.925 -5.861 22.723 1.00 23.49 C +ATOM 123 CD1 TYR A 14 65.343 -6.233 23.921 1.00 23.49 C +ATOM 124 CD2 TYR A 14 67.308 -5.663 22.684 1.00 23.49 C +ATOM 125 CE1 TYR A 14 66.087 -6.397 25.071 1.00 23.49 C +ATOM 126 CE2 TYR A 14 68.088 -5.822 23.839 1.00 23.49 C +ATOM 127 CZ TYR A 14 67.459 -6.188 25.044 1.00 23.49 C +ATOM 128 OH TYR A 14 68.158 -6.309 26.246 1.00 23.49 O +ATOM 129 N GLY A 15 65.830 -2.814 20.786 1.00 37.84 N +ATOM 130 CA GLY A 15 66.808 -1.759 20.871 1.00 37.84 C +ATOM 131 C GLY A 15 66.570 -0.462 21.656 1.00 37.84 C +ATOM 132 O GLY A 15 65.769 -0.312 22.601 1.00 61.88 O +ATOM 133 N GLU A 16 67.479 0.430 21.292 1.00 41.00 N +ATOM 134 CA GLU A 16 67.593 1.792 21.717 1.00 41.00 C +ATOM 135 C GLU A 16 67.266 2.217 20.302 1.00 41.00 C +ATOM 136 O GLU A 16 67.926 1.808 19.337 1.00 57.42 O +ATOM 137 CB GLU A 16 69.062 2.128 21.972 1.00 57.42 C +ATOM 138 CG GLU A 16 69.482 2.518 23.378 1.00 57.42 C +ATOM 139 CD GLU A 16 70.772 3.365 23.357 1.00 57.42 C +ATOM 140 OE1 GLU A 16 71.404 3.469 22.272 1.00 57.42 O +ATOM 141 OE2 GLU A 16 71.142 3.959 24.405 1.00 57.42 O +ATOM 142 N PHE A 17 66.159 2.890 20.133 1.00 44.64 N +ATOM 143 CA PHE A 17 65.865 3.305 18.787 1.00 44.64 C +ATOM 144 C PHE A 17 65.828 4.836 18.697 1.00 44.64 C +ATOM 145 O PHE A 17 65.439 5.519 19.677 1.00 35.82 O +ATOM 146 CB PHE A 17 64.512 2.770 18.343 1.00 35.82 C +ATOM 147 CG PHE A 17 64.447 1.300 18.160 1.00 35.82 C +ATOM 148 CD1 PHE A 17 64.093 0.482 19.224 1.00 35.82 C +ATOM 149 CD2 PHE A 17 64.601 0.758 16.897 1.00 35.82 C +ATOM 150 CE1 PHE A 17 63.884 -0.847 19.031 1.00 35.82 C +ATOM 151 CE2 PHE A 17 64.397 -0.561 16.692 1.00 35.82 C +ATOM 152 CZ PHE A 17 64.033 -1.379 17.765 1.00 35.82 C +ATOM 153 N PRO A 18 66.184 5.380 17.504 1.00 47.85 N +ATOM 154 CA PRO A 18 66.243 6.793 17.101 1.00 47.85 C +ATOM 155 C PRO A 18 64.888 7.541 17.194 1.00 47.85 C +ATOM 156 O PRO A 18 64.500 8.256 16.252 1.00 66.62 O +ATOM 157 CB PRO A 18 66.707 6.703 15.647 1.00 66.62 C +ATOM 158 CG PRO A 18 67.560 5.480 15.639 1.00 66.62 C +ATOM 159 CD PRO A 18 66.728 4.522 16.431 1.00 66.62 C +ATOM 160 N GLY A 19 64.192 7.367 18.325 1.00 83.38 N +ATOM 161 CA GLY A 19 62.918 8.022 18.568 1.00 83.38 C +ATOM 162 C GLY A 19 61.884 7.834 17.475 1.00 83.38 C +ATOM 163 O GLY A 19 61.043 6.946 17.567 1.00 45.58 O +ATOM 164 N ASP A 20 61.939 8.667 16.435 1.00 38.61 N +ATOM 165 CA ASP A 20 60.985 8.565 15.341 1.00 38.61 C +ATOM 166 C ASP A 20 61.010 7.204 14.658 1.00 38.61 C +ATOM 167 O ASP A 20 60.098 6.861 13.901 1.00 73.20 O +ATOM 168 CB ASP A 20 61.170 9.705 14.316 1.00 73.20 C +ATOM 169 CG ASP A 20 62.629 9.917 13.906 1.00 73.20 C +ATOM 170 OD1 ASP A 20 63.169 9.078 13.148 1.00 73.20 O +ATOM 171 OD2 ASP A 20 63.224 10.945 14.323 1.00 73.20 O +ATOM 172 N GLU A 21 62.042 6.412 14.926 1.00 39.78 N +ATOM 173 CA GLU A 21 62.098 5.106 14.302 1.00 39.78 C +ATOM 174 C GLU A 21 61.077 4.246 14.981 1.00 39.78 C +ATOM 175 O GLU A 21 60.210 3.668 14.333 1.00 61.00 O +ATOM 176 CB GLU A 21 63.477 4.502 14.411 1.00 61.00 C +ATOM 177 CG GLU A 21 64.158 4.438 13.068 1.00 61.00 C +ATOM 178 CD GLU A 21 64.875 3.112 12.835 1.00 61.00 C +ATOM 179 OE1 GLU A 21 65.624 2.646 13.743 1.00 61.00 O +ATOM 180 OE2 GLU A 21 64.692 2.537 11.732 1.00 61.00 O +ATOM 181 N ARG A 22 61.159 4.216 16.303 1.00 19.76 N +ATOM 182 CA ARG A 22 60.212 3.472 17.099 1.00 19.76 C +ATOM 183 C ARG A 22 58.802 3.763 16.553 1.00 19.76 C +ATOM 184 O ARG A 22 58.063 2.851 16.168 1.00 52.46 O +ATOM 185 CB ARG A 22 60.332 3.914 18.528 1.00 52.46 C +ATOM 186 CG ARG A 22 59.266 3.394 19.378 1.00 52.46 C +ATOM 187 CD ARG A 22 59.671 3.580 20.787 1.00 52.46 C +ATOM 188 NE ARG A 22 60.955 2.934 21.026 1.00 52.46 N +ATOM 189 CZ ARG A 22 61.126 1.935 21.892 1.00 52.46 C +ATOM 190 NH1 ARG A 22 60.072 1.497 22.591 1.00 52.46 N +ATOM 191 NH2 ARG A 22 62.332 1.357 22.044 1.00 52.46 N +ATOM 192 N ARG A 23 58.505 5.043 16.377 1.00 27.27 N +ATOM 193 CA ARG A 23 57.228 5.477 15.847 1.00 27.27 C +ATOM 194 C ARG A 23 56.923 4.765 14.541 1.00 27.27 C +ATOM 195 O ARG A 23 55.905 4.092 14.413 1.00 88.32 O +ATOM 196 CB ARG A 23 57.289 6.974 15.597 1.00 88.32 C +ATOM 197 CG ARG A 23 56.380 7.791 16.468 1.00 88.32 C +ATOM 198 CD ARG A 23 55.232 8.360 15.644 1.00 88.32 C +ATOM 199 NE ARG A 23 55.196 9.824 15.674 1.00 88.32 N +ATOM 200 CZ ARG A 23 54.204 10.561 15.182 1.00 88.32 C +ATOM 201 NH1 ARG A 23 53.156 9.968 14.614 1.00 88.32 N +ATOM 202 NH2 ARG A 23 54.259 11.892 15.264 1.00 88.32 N +ATOM 203 N LYS A 24 57.852 4.877 13.595 1.00 19.87 N +ATOM 204 CA LYS A 24 57.699 4.275 12.268 1.00 19.87 C +ATOM 205 C LYS A 24 57.323 2.819 12.400 1.00 19.87 C +ATOM 206 O LYS A 24 56.346 2.341 11.827 1.00 77.10 O +ATOM 207 CB LYS A 24 59.007 4.371 11.473 1.00 77.10 C +ATOM 208 CG LYS A 24 59.333 5.743 10.927 1.00 77.10 C +ATOM 209 CD LYS A 24 59.432 5.738 9.388 1.00 77.10 C +ATOM 210 CE LYS A 24 60.833 5.345 8.876 1.00 77.10 C +ATOM 211 NZ LYS A 24 60.936 5.291 7.372 1.00 77.10 N +ATOM 212 N LEU A 25 58.102 2.142 13.225 1.00 22.47 N +ATOM 213 CA LEU A 25 57.932 0.740 13.458 1.00 22.47 C +ATOM 214 C LEU A 25 56.544 0.521 13.883 1.00 22.47 C +ATOM 215 O LEU A 25 55.746 -0.019 13.121 1.00 23.07 O +ATOM 216 CB LEU A 25 58.899 0.275 14.522 1.00 23.07 C +ATOM 217 CG LEU A 25 60.300 0.337 13.914 1.00 23.07 C +ATOM 218 CD1 LEU A 25 61.270 -0.271 14.891 1.00 23.07 C +ATOM 219 CD2 LEU A 25 60.339 -0.398 12.553 1.00 23.07 C +ATOM 220 N ILE A 26 56.234 1.052 15.054 1.00 10.92 N +ATOM 221 CA ILE A 26 54.894 0.928 15.596 1.00 10.92 C +ATOM 222 C ILE A 26 53.847 1.306 14.582 1.00 10.92 C +ATOM 223 O ILE A 26 52.811 0.622 14.470 1.00 2.00 O +ATOM 224 CB ILE A 26 54.693 1.818 16.749 1.00 2.00 C +ATOM 225 CG1 ILE A 26 55.724 1.484 17.798 1.00 2.00 C +ATOM 226 CG2 ILE A 26 53.339 1.609 17.294 1.00 2.00 C +ATOM 227 CD1 ILE A 26 55.677 2.408 18.953 1.00 2.00 C +ATOM 228 N ARG A 27 54.111 2.391 13.848 1.00 6.45 N +ATOM 229 CA ARG A 27 53.163 2.812 12.836 1.00 6.45 C +ATOM 230 C ARG A 27 52.997 1.618 11.913 1.00 6.45 C +ATOM 231 O ARG A 27 51.985 0.917 11.967 1.00 41.72 O +ATOM 232 CB ARG A 27 53.644 4.037 12.062 1.00 41.72 C +ATOM 233 CG ARG A 27 52.625 4.454 11.021 1.00 41.72 C +ATOM 234 CD ARG A 27 52.943 5.743 10.327 1.00 41.72 C +ATOM 235 NE ARG A 27 52.051 5.902 9.189 1.00 41.72 N +ATOM 236 CZ ARG A 27 52.333 6.622 8.107 1.00 41.72 C +ATOM 237 NH1 ARG A 27 53.487 7.272 8.008 1.00 41.72 N +ATOM 238 NH2 ARG A 27 51.493 6.635 7.084 1.00 41.72 N +ATOM 239 N TYR A 28 54.083 1.277 11.232 1.00 16.93 N +ATOM 240 CA TYR A 28 54.096 0.166 10.308 1.00 16.93 C +ATOM 241 C TYR A 28 53.581 -1.175 10.807 1.00 16.93 C +ATOM 242 O TYR A 28 52.844 -1.861 10.111 1.00 29.56 O +ATOM 243 CB TYR A 28 55.484 0.038 9.767 1.00 29.56 C +ATOM 244 CG TYR A 28 55.700 1.080 8.745 1.00 29.56 C +ATOM 245 CD1 TYR A 28 55.080 0.971 7.508 1.00 29.56 C +ATOM 246 CD2 TYR A 28 56.464 2.211 9.017 1.00 29.56 C +ATOM 247 CE1 TYR A 28 55.202 1.960 6.560 1.00 29.56 C +ATOM 248 CE2 TYR A 28 56.604 3.232 8.062 1.00 29.56 C +ATOM 249 CZ TYR A 28 55.961 3.101 6.828 1.00 29.56 C +ATOM 250 OH TYR A 28 56.010 4.112 5.866 1.00 29.56 O +ATOM 251 N VAL A 29 53.942 -1.539 12.023 1.00 12.14 N +ATOM 252 CA VAL A 29 53.494 -2.804 12.543 1.00 12.14 C +ATOM 253 C VAL A 29 52.004 -2.784 12.668 1.00 12.14 C +ATOM 254 O VAL A 29 51.317 -3.419 11.864 1.00 10.85 O +ATOM 255 CB VAL A 29 54.095 -3.110 13.907 1.00 10.85 C +ATOM 256 CG1 VAL A 29 53.458 -4.335 14.496 1.00 10.85 C +ATOM 257 CG2 VAL A 29 55.571 -3.292 13.774 1.00 10.85 C +ATOM 258 N THR A 30 51.501 -1.998 13.626 1.00 19.90 N +ATOM 259 CA THR A 30 50.057 -1.929 13.862 1.00 19.90 C +ATOM 260 C THR A 30 49.358 -1.651 12.531 1.00 19.90 C +ATOM 261 O THR A 30 48.337 -2.229 12.208 1.00 14.31 O +ATOM 262 CB THR A 30 49.631 -0.837 14.896 1.00 14.31 C +ATOM 263 OG1 THR A 30 49.665 0.402 14.243 1.00 14.31 O +ATOM 264 CG2 THR A 30 50.537 -0.757 16.106 1.00 14.31 C +ATOM 265 N ALA A 31 49.960 -0.806 11.728 1.00 2.00 N +ATOM 266 CA ALA A 31 49.361 -0.521 10.444 1.00 2.00 C +ATOM 267 C ALA A 31 49.043 -1.795 9.689 1.00 2.00 C +ATOM 268 O ALA A 31 47.985 -1.917 9.066 1.00 33.85 O +ATOM 269 CB ALA A 31 50.261 0.348 9.598 1.00 33.85 C +ATOM 270 N PHE A 32 49.973 -2.741 9.719 1.00 20.66 N +ATOM 271 CA PHE A 32 49.775 -3.998 9.017 1.00 20.66 C +ATOM 272 C PHE A 32 49.133 -5.027 9.879 1.00 20.66 C +ATOM 273 O PHE A 32 49.116 -6.204 9.584 1.00 29.88 O +ATOM 274 CB PHE A 32 51.063 -4.462 8.445 1.00 29.88 C +ATOM 275 CG PHE A 32 51.585 -3.533 7.457 1.00 29.88 C +ATOM 276 CD1 PHE A 32 50.809 -3.178 6.387 1.00 29.88 C +ATOM 277 CD2 PHE A 32 52.856 -3.019 7.572 1.00 29.88 C +ATOM 278 CE1 PHE A 32 51.300 -2.310 5.411 1.00 29.88 C +ATOM 279 CE2 PHE A 32 53.363 -2.154 6.618 1.00 29.88 C +ATOM 280 CZ PHE A 32 52.585 -1.795 5.526 1.00 29.88 C +ATOM 281 N ASN A 33 48.559 -4.531 10.947 1.00 25.61 N +ATOM 282 CA ASN A 33 47.824 -5.350 11.856 1.00 25.61 C +ATOM 283 C ASN A 33 48.691 -6.200 12.682 1.00 25.61 C +ATOM 284 O ASN A 33 48.336 -7.301 13.068 1.00 45.91 O +ATOM 285 CB ASN A 33 46.791 -6.167 11.121 1.00 45.91 C +ATOM 286 CG ASN A 33 45.653 -6.525 11.994 1.00 45.91 C +ATOM 287 OD1 ASN A 33 45.438 -5.925 13.050 1.00 45.91 O +ATOM 288 ND2 ASN A 33 44.915 -7.525 11.585 1.00 45.91 N +ATOM 289 N GLY A 34 49.847 -5.650 12.973 1.00 24.91 N +ATOM 290 CA GLY A 34 50.755 -6.366 13.814 1.00 24.91 C +ATOM 291 C GLY A 34 50.345 -6.115 15.250 1.00 24.91 C +ATOM 292 O GLY A 34 49.622 -5.158 15.544 1.00 22.53 O +ATOM 293 N GLU A 35 50.761 -7.036 16.117 1.00 18.37 N +ATOM 294 CA GLU A 35 50.532 -6.982 17.548 1.00 18.37 C +ATOM 295 C GLU A 35 51.860 -6.468 18.100 1.00 18.37 C +ATOM 296 O GLU A 35 52.938 -6.845 17.625 1.00 83.19 O +ATOM 297 CB GLU A 35 50.247 -8.378 18.093 1.00 83.19 C +ATOM 298 CG GLU A 35 49.211 -8.402 19.188 1.00 83.19 C +ATOM 299 CD GLU A 35 47.854 -7.959 18.691 1.00 83.19 C +ATOM 300 OE1 GLU A 35 47.258 -8.685 17.855 1.00 83.19 O +ATOM 301 OE2 GLU A 35 47.397 -6.880 19.132 1.00 83.19 O +ATOM 302 N LEU A 36 51.775 -5.607 19.102 1.00 19.01 N +ATOM 303 CA LEU A 36 52.960 -5.005 19.680 1.00 19.01 C +ATOM 304 C LEU A 36 53.034 -5.159 21.185 1.00 19.01 C +ATOM 305 O LEU A 36 52.135 -4.707 21.921 1.00 38.20 O +ATOM 306 CB LEU A 36 52.998 -3.550 19.281 1.00 38.20 C +ATOM 307 CG LEU A 36 54.292 -3.246 18.576 1.00 38.20 C +ATOM 308 CD1 LEU A 36 54.056 -2.559 17.251 1.00 38.20 C +ATOM 309 CD2 LEU A 36 55.104 -2.410 19.527 1.00 38.20 C +ATOM 310 N GLU A 37 54.124 -5.779 21.633 1.00 5.67 N +ATOM 311 CA GLU A 37 54.345 -6.057 23.055 1.00 5.67 C +ATOM 312 C GLU A 37 55.193 -5.022 23.752 1.00 5.67 C +ATOM 313 O GLU A 37 56.064 -4.383 23.131 1.00 37.56 O +ATOM 314 CB GLU A 37 54.961 -7.442 23.256 1.00 37.56 C +ATOM 315 CG GLU A 37 54.111 -8.579 22.720 1.00 37.56 C +ATOM 316 CD GLU A 37 52.815 -8.742 23.474 1.00 37.56 C +ATOM 317 OE1 GLU A 37 52.821 -8.577 24.728 1.00 37.56 O +ATOM 318 OE2 GLU A 37 51.804 -9.044 22.794 1.00 37.56 O +ATOM 319 N ASP A 38 54.928 -4.864 25.049 1.00 19.55 N +ATOM 320 CA ASP A 38 55.617 -3.864 25.858 1.00 19.55 C +ATOM 321 C ASP A 38 56.670 -4.477 26.717 1.00 19.55 C +ATOM 322 O ASP A 38 57.301 -3.791 27.511 1.00 91.87 O +ATOM 323 CB ASP A 38 54.609 -3.102 26.703 1.00 91.87 C +ATOM 324 CG ASP A 38 53.450 -2.588 25.881 1.00 91.87 C +ATOM 325 OD1 ASP A 38 53.687 -1.751 24.973 1.00 91.87 O +ATOM 326 OD2 ASP A 38 52.313 -3.054 26.120 1.00 91.87 O +ATOM 327 N TYR A 39 56.826 -5.787 26.568 1.00 30.00 N +ATOM 328 CA TYR A 39 57.831 -6.555 27.279 1.00 30.00 C +ATOM 329 C TYR A 39 57.940 -7.941 26.686 1.00 30.00 C +ATOM 330 O TYR A 39 56.979 -8.491 26.138 1.00 68.68 O +ATOM 331 CB TYR A 39 57.591 -6.619 28.782 1.00 68.68 C +ATOM 332 CG TYR A 39 56.254 -7.151 29.165 1.00 68.68 C +ATOM 333 CD1 TYR A 39 55.119 -6.364 29.033 1.00 68.68 C +ATOM 334 CD2 TYR A 39 56.121 -8.422 29.713 1.00 68.68 C +ATOM 335 CE1 TYR A 39 53.873 -6.820 29.445 1.00 68.68 C +ATOM 336 CE2 TYR A 39 54.879 -8.897 30.132 1.00 68.68 C +ATOM 337 CZ TYR A 39 53.751 -8.085 30.001 1.00 68.68 C +ATOM 338 OH TYR A 39 52.511 -8.508 30.464 1.00 68.68 O +ATOM 339 N MET A 40 59.167 -8.443 26.723 1.00 47.77 N +ATOM 340 CA MET A 40 59.518 -9.751 26.216 1.00 47.77 C +ATOM 341 C MET A 40 58.763 -10.751 27.081 1.00 47.77 C +ATOM 342 O MET A 40 58.885 -10.753 28.318 1.00 24.28 O +ATOM 343 CB MET A 40 61.009 -9.934 26.384 1.00 24.28 C +ATOM 344 CG MET A 40 61.617 -11.005 25.586 1.00 24.28 C +ATOM 345 SD MET A 40 61.915 -10.374 24.038 1.00 24.28 S +ATOM 346 CE MET A 40 61.005 -11.483 23.219 1.00 24.28 C +ATOM 347 N SER A 41 57.938 -11.549 26.410 1.00 38.19 N +ATOM 348 CA SER A 41 57.089 -12.569 27.015 1.00 38.19 C +ATOM 349 C SER A 41 56.741 -13.530 25.891 1.00 38.19 C +ATOM 350 O SER A 41 56.793 -13.184 24.704 1.00 42.68 O +ATOM 351 CB SER A 41 55.794 -11.936 27.514 1.00 42.68 C +ATOM 352 OG SER A 41 55.065 -11.363 26.428 1.00 42.68 O +ATOM 353 N ASP A 42 56.274 -14.702 26.280 1.00 25.07 N +ATOM 354 CA ASP A 42 55.896 -15.758 25.351 1.00 25.07 C +ATOM 355 C ASP A 42 55.072 -15.338 24.137 1.00 25.07 C +ATOM 356 O ASP A 42 55.144 -15.993 23.100 1.00 74.09 O +ATOM 357 CB ASP A 42 55.169 -16.831 26.132 1.00 74.09 C +ATOM 358 CG ASP A 42 55.696 -16.947 27.538 1.00 74.09 C +ATOM 359 OD1 ASP A 42 56.756 -17.587 27.738 1.00 74.09 O +ATOM 360 OD2 ASP A 42 55.086 -16.326 28.433 1.00 74.09 O +ATOM 361 N ARG A 43 54.342 -14.228 24.225 1.00 35.80 N +ATOM 362 CA ARG A 43 53.515 -13.815 23.095 1.00 35.80 C +ATOM 363 C ARG A 43 54.348 -13.428 21.884 1.00 35.80 C +ATOM 364 O ARG A 43 53.923 -13.602 20.735 1.00 75.34 O +ATOM 365 CB ARG A 43 52.619 -12.635 23.480 1.00 75.34 C +ATOM 366 CG ARG A 43 51.857 -12.802 24.782 1.00 75.34 C +ATOM 367 CD ARG A 43 50.946 -11.611 25.091 1.00 75.34 C +ATOM 368 NE ARG A 43 50.665 -11.532 26.524 1.00 75.34 N +ATOM 369 CZ ARG A 43 50.955 -10.487 27.302 1.00 75.34 C +ATOM 370 NH1 ARG A 43 51.533 -9.401 26.793 1.00 75.34 N +ATOM 371 NH2 ARG A 43 50.698 -10.544 28.609 1.00 75.34 N +ATOM 372 N VAL A 44 55.578 -13.002 22.160 1.00 10.35 N +ATOM 373 CA VAL A 44 56.472 -12.505 21.130 1.00 10.35 C +ATOM 374 C VAL A 44 56.951 -13.476 20.063 1.00 10.35 C +ATOM 375 O VAL A 44 57.375 -14.570 20.352 1.00 21.87 O +ATOM 376 CB VAL A 44 57.662 -11.802 21.756 1.00 21.87 C +ATOM 377 CG1 VAL A 44 58.358 -10.941 20.693 1.00 21.87 C +ATOM 378 CG2 VAL A 44 57.207 -10.969 22.936 1.00 21.87 C +ATOM 379 N GLN A 45 56.933 -13.043 18.824 1.00 15.38 N +ATOM 380 CA GLN A 45 57.354 -13.904 17.768 1.00 15.38 C +ATOM 381 C GLN A 45 58.482 -13.253 17.051 1.00 15.38 C +ATOM 382 O GLN A 45 59.255 -13.920 16.363 1.00 47.15 O +ATOM 383 CB GLN A 45 56.194 -14.151 16.839 1.00 47.15 C +ATOM 384 CG GLN A 45 55.145 -14.967 17.507 1.00 47.15 C +ATOM 385 CD GLN A 45 53.797 -14.742 16.919 1.00 47.15 C +ATOM 386 OE1 GLN A 45 52.868 -14.354 17.627 1.00 47.15 O +ATOM 387 NE2 GLN A 45 53.662 -14.983 15.615 1.00 47.15 N +ATOM 388 N PHE A 46 58.533 -11.931 17.146 1.00 22.77 N +ATOM 389 CA PHE A 46 59.608 -11.196 16.524 1.00 22.77 C +ATOM 390 C PHE A 46 60.097 -10.117 17.377 1.00 22.77 C +ATOM 391 O PHE A 46 59.323 -9.315 17.844 1.00 25.06 O +ATOM 392 CB PHE A 46 59.162 -10.550 15.287 1.00 25.06 C +ATOM 393 CG PHE A 46 58.652 -11.484 14.338 1.00 25.06 C +ATOM 394 CD1 PHE A 46 57.389 -11.995 14.493 1.00 25.06 C +ATOM 395 CD2 PHE A 46 59.404 -11.840 13.251 1.00 25.06 C +ATOM 396 CE1 PHE A 46 56.876 -12.844 13.565 1.00 25.06 C +ATOM 397 CE2 PHE A 46 58.910 -12.690 12.311 1.00 25.06 C +ATOM 398 CZ PHE A 46 57.640 -13.197 12.457 1.00 25.06 C +ATOM 399 N VAL A 47 61.396 -10.108 17.594 1.00 14.34 N +ATOM 400 CA VAL A 47 62.000 -9.064 18.362 1.00 14.34 C +ATOM 401 C VAL A 47 62.650 -8.140 17.362 1.00 14.34 C +ATOM 402 O VAL A 47 63.488 -8.560 16.572 1.00 6.62 O +ATOM 403 CB VAL A 47 63.042 -9.602 19.251 1.00 6.62 C +ATOM 404 CG1 VAL A 47 63.847 -8.461 19.827 1.00 6.62 C +ATOM 405 CG2 VAL A 47 62.379 -10.383 20.324 1.00 6.62 C +ATOM 406 N ILE A 48 62.204 -6.899 17.313 1.00 21.43 N +ATOM 407 CA ILE A 48 62.838 -6.024 16.385 1.00 21.43 C +ATOM 408 C ILE A 48 63.921 -5.302 17.078 1.00 21.43 C +ATOM 409 O ILE A 48 63.746 -4.790 18.188 1.00 14.80 O +ATOM 410 CB ILE A 48 61.934 -5.048 15.796 1.00 14.80 C +ATOM 411 CG1 ILE A 48 60.717 -5.770 15.259 1.00 14.80 C +ATOM 412 CG2 ILE A 48 62.639 -4.417 14.662 1.00 14.80 C +ATOM 413 CD1 ILE A 48 61.085 -6.966 14.402 1.00 14.80 C +ATOM 414 N THR A 49 65.097 -5.385 16.488 1.00 12.28 N +ATOM 415 CA THR A 49 66.206 -4.675 17.061 1.00 12.28 C +ATOM 416 C THR A 49 67.194 -4.155 16.039 1.00 12.28 C +ATOM 417 O THR A 49 67.428 -4.756 14.973 1.00 24.62 O +ATOM 418 CB THR A 49 66.871 -5.414 18.189 1.00 24.62 C +ATOM 419 OG1 THR A 49 67.563 -4.461 18.994 1.00 24.62 O +ATOM 420 CG2 THR A 49 67.832 -6.396 17.675 1.00 24.62 C +ATOM 421 N ALA A 50 67.571 -2.906 16.297 1.00 49.81 N +ATOM 422 CA ALA A 50 68.502 -2.180 15.463 1.00 49.81 C +ATOM 423 C ALA A 50 69.839 -2.467 16.071 1.00 49.81 C +ATOM 424 O ALA A 50 70.858 -2.495 15.380 1.00 44.08 O +ATOM 425 CB ALA A 50 68.206 -0.722 15.530 1.00 44.08 C +ATOM 426 N GLN A 51 69.810 -2.683 17.382 1.00 36.81 N +ATOM 427 CA GLN A 51 70.992 -3.012 18.141 1.00 36.81 C +ATOM 428 C GLN A 51 71.566 -4.343 17.695 1.00 36.81 C +ATOM 429 O GLN A 51 71.111 -4.956 16.724 1.00 72.16 O +ATOM 430 CB GLN A 51 70.638 -3.148 19.597 1.00 72.16 C +ATOM 431 CG GLN A 51 70.729 -1.897 20.387 1.00 72.16 C +ATOM 432 CD GLN A 51 70.655 -2.215 21.868 1.00 72.16 C +ATOM 433 OE1 GLN A 51 70.224 -1.383 22.689 1.00 72.16 O +ATOM 434 NE2 GLN A 51 71.061 -3.445 22.227 1.00 72.16 N +ATOM 435 N GLU A 52 72.533 -4.818 18.471 1.00 45.82 N +ATOM 436 CA GLU A 52 73.209 -6.072 18.183 1.00 45.82 C +ATOM 437 C GLU A 52 72.845 -7.182 19.123 1.00 45.82 C +ATOM 438 O GLU A 52 72.293 -6.943 20.199 1.00109.81 O +ATOM 439 CB GLU A 52 74.728 -5.885 18.157 1.00109.81 C +ATOM 440 CG GLU A 52 75.217 -5.243 16.872 1.00109.81 C +ATOM 441 CD GLU A 52 74.536 -5.840 15.641 1.00109.81 C +ATOM 442 OE1 GLU A 52 74.970 -6.915 15.170 1.00109.81 O +ATOM 443 OE2 GLU A 52 73.549 -5.245 15.156 1.00109.81 O +ATOM 444 N TRP A 53 73.193 -8.396 18.709 1.00 43.68 N +ATOM 445 CA TRP A 53 72.892 -9.572 19.484 1.00 43.68 C +ATOM 446 C TRP A 53 73.127 -9.385 21.001 1.00 43.68 C +ATOM 447 O TRP A 53 74.171 -8.893 21.407 1.00 40.09 O +ATOM 448 CB TRP A 53 73.663 -10.772 18.938 1.00 40.09 C +ATOM 449 CG TRP A 53 73.196 -11.989 19.626 1.00 40.09 C +ATOM 450 CD1 TRP A 53 73.609 -12.449 20.837 1.00 40.09 C +ATOM 451 CD2 TRP A 53 72.085 -12.790 19.255 1.00 40.09 C +ATOM 452 NE1 TRP A 53 72.804 -13.466 21.256 1.00 40.09 N +ATOM 453 CE2 TRP A 53 71.857 -13.695 20.299 1.00 40.09 C +ATOM 454 CE3 TRP A 53 71.247 -12.820 18.143 1.00 40.09 C +ATOM 455 CZ2 TRP A 53 70.827 -14.618 20.269 1.00 40.09 C +ATOM 456 CZ3 TRP A 53 70.220 -13.739 18.113 1.00 40.09 C +ATOM 457 CH2 TRP A 53 70.019 -14.624 19.169 1.00 40.09 C +ATOM 458 N ASP A 54 72.161 -9.773 21.833 1.00 27.19 N +ATOM 459 CA ASP A 54 72.287 -9.608 23.285 1.00 27.19 C +ATOM 460 C ASP A 54 72.083 -10.914 24.026 1.00 27.19 C +ATOM 461 O ASP A 54 71.198 -11.701 23.694 1.00 59.27 O +ATOM 462 CB ASP A 54 71.244 -8.594 23.788 1.00 59.27 C +ATOM 463 CG ASP A 54 71.481 -8.151 25.227 1.00 59.27 C +ATOM 464 OD1 ASP A 54 71.444 -8.979 26.152 1.00 59.27 O +ATOM 465 OD2 ASP A 54 71.701 -6.945 25.437 1.00 59.27 O +ATOM 466 N PRO A 55 72.926 -11.175 25.031 1.00 42.03 N +ATOM 467 CA PRO A 55 72.866 -12.379 25.867 1.00 42.03 C +ATOM 468 C PRO A 55 71.430 -12.659 26.256 1.00 42.03 C +ATOM 469 O PRO A 55 71.023 -13.816 26.367 1.00 50.23 O +ATOM 470 CB PRO A 55 73.676 -11.966 27.080 1.00 50.23 C +ATOM 471 CG PRO A 55 74.816 -11.232 26.425 1.00 50.23 C +ATOM 472 CD PRO A 55 74.189 -10.452 25.257 1.00 50.23 C +ATOM 473 N SER A 56 70.676 -11.566 26.402 1.00 34.52 N +ATOM 474 CA SER A 56 69.257 -11.565 26.770 1.00 34.52 C +ATOM 475 C SER A 56 68.502 -12.478 25.845 1.00 34.52 C +ATOM 476 O SER A 56 67.694 -13.306 26.272 1.00 55.30 O +ATOM 477 CB SER A 56 68.679 -10.150 26.635 1.00 55.30 C +ATOM 478 OG SER A 56 69.353 -9.232 27.486 1.00 55.30 O +ATOM 479 N PHE A 57 68.810 -12.339 24.565 1.00 25.48 N +ATOM 480 CA PHE A 57 68.170 -13.129 23.530 1.00 25.48 C +ATOM 481 C PHE A 57 68.197 -14.595 23.866 1.00 25.48 C +ATOM 482 O PHE A 57 67.151 -15.219 24.022 1.00 45.56 O +ATOM 483 CB PHE A 57 68.859 -12.860 22.213 1.00 45.56 C +ATOM 484 CG PHE A 57 68.729 -11.437 21.765 1.00 45.56 C +ATOM 485 CD1 PHE A 57 67.876 -10.566 22.435 1.00 45.56 C +ATOM 486 CD2 PHE A 57 69.384 -10.983 20.631 1.00 45.56 C +ATOM 487 CE1 PHE A 57 67.675 -9.280 21.970 1.00 45.56 C +ATOM 488 CE2 PHE A 57 69.184 -9.690 20.162 1.00 45.56 C +ATOM 489 CZ PHE A 57 68.328 -8.841 20.828 1.00 45.56 C +ATOM 490 N GLU A 58 69.404 -15.093 24.107 1.00 38.47 N +ATOM 491 CA GLU A 58 69.624 -16.480 24.448 1.00 38.47 C +ATOM 492 C GLU A 58 68.666 -16.973 25.522 1.00 38.47 C +ATOM 493 O GLU A 58 67.849 -17.851 25.262 1.00 72.87 O +ATOM 494 CB GLU A 58 71.065 -16.661 24.892 1.00 72.87 C +ATOM 495 CG GLU A 58 72.042 -16.109 23.875 1.00 72.87 C +ATOM 496 CD GLU A 58 73.491 -16.207 24.317 1.00 72.87 C +ATOM 497 OE1 GLU A 58 73.780 -17.009 25.254 1.00 72.87 O +ATOM 498 OE2 GLU A 58 74.338 -15.486 23.715 1.00 72.87 O +ATOM 499 N GLU A 59 68.694 -16.358 26.700 1.00 33.82 N +ATOM 500 CA GLU A 59 67.819 -16.822 27.782 1.00 33.82 C +ATOM 501 C GLU A 59 66.368 -16.728 27.380 1.00 33.82 C +ATOM 502 O GLU A 59 65.541 -17.568 27.744 1.00117.55 O +ATOM 503 CB GLU A 59 68.087 -16.079 29.099 1.00117.55 C +ATOM 504 CG GLU A 59 67.856 -14.580 29.052 1.00117.55 C +ATOM 505 CD GLU A 59 69.047 -13.772 29.570 1.00117.55 C +ATOM 506 OE1 GLU A 59 70.211 -14.164 29.299 1.00117.55 O +ATOM 507 OE2 GLU A 59 68.814 -12.726 30.228 1.00117.55 O +ATOM 508 N ALA A 60 66.084 -15.730 26.565 1.00 35.45 N +ATOM 509 CA ALA A 60 64.730 -15.527 26.108 1.00 35.45 C +ATOM 510 C ALA A 60 64.427 -16.648 25.163 1.00 35.45 C +ATOM 511 O ALA A 60 63.320 -17.188 25.118 1.00 43.86 O +ATOM 512 CB ALA A 60 64.636 -14.218 25.387 1.00 43.86 C +ATOM 513 N LEU A 61 65.464 -16.988 24.421 1.00 33.68 N +ATOM 514 CA LEU A 61 65.407 -18.019 23.431 1.00 33.68 C +ATOM 515 C LEU A 61 65.207 -19.360 24.077 1.00 33.68 C +ATOM 516 O LEU A 61 64.311 -20.122 23.672 1.00 18.38 O +ATOM 517 CB LEU A 61 66.698 -18.030 22.653 1.00 18.38 C +ATOM 518 CG LEU A 61 66.497 -18.418 21.225 1.00 18.38 C +ATOM 519 CD1 LEU A 61 65.052 -18.476 20.918 1.00 18.38 C +ATOM 520 CD2 LEU A 61 67.190 -17.427 20.357 1.00 18.38 C +ATOM 521 N MET A 62 66.007 -19.640 25.105 1.00 46.79 N +ATOM 522 CA MET A 62 65.907 -20.928 25.774 1.00 46.79 C +ATOM 523 C MET A 62 64.803 -20.878 26.805 1.00 46.79 C +ATOM 524 O MET A 62 64.947 -21.281 27.959 1.00 88.49 O +ATOM 525 CB MET A 62 67.273 -21.394 26.313 1.00 88.49 C +ATOM 526 CG MET A 62 67.836 -20.638 27.492 1.00 88.49 C +ATOM 527 SD MET A 62 67.588 -21.612 28.980 1.00 88.49 S +ATOM 528 CE MET A 62 66.848 -20.386 30.104 1.00 88.49 C +ATOM 529 N ASP A 63 63.653 -20.446 26.314 1.00 44.55 N +ATOM 530 CA ASP A 63 62.460 -20.299 27.122 1.00 44.55 C +ATOM 531 C ASP A 63 61.294 -20.145 26.151 1.00 44.55 C +ATOM 532 O ASP A 63 60.122 -20.382 26.491 1.00 82.50 O +ATOM 533 CB ASP A 63 62.585 -19.044 27.964 1.00 82.50 C +ATOM 534 CG ASP A 63 61.760 -19.115 29.192 1.00 82.50 C +ATOM 535 OD1 ASP A 63 60.548 -19.403 29.083 1.00 82.50 O +ATOM 536 OD2 ASP A 63 62.338 -18.912 30.272 1.00 82.50 O +ATOM 537 N ASN A 64 61.643 -19.691 24.951 1.00 51.08 N +ATOM 538 CA ASN A 64 60.705 -19.496 23.858 1.00 51.08 C +ATOM 539 C ASN A 64 61.485 -19.443 22.537 1.00 51.08 C +ATOM 540 O ASN A 64 61.805 -18.378 22.014 1.00 74.50 O +ATOM 541 CB ASN A 64 59.879 -18.229 24.043 1.00 74.50 C +ATOM 542 CG ASN A 64 59.073 -17.888 22.803 1.00 74.50 C +ATOM 543 OD1 ASN A 64 58.887 -16.712 22.474 1.00 74.50 O +ATOM 544 ND2 ASN A 64 58.631 -18.921 22.076 1.00 74.50 N +ATOM 545 N PRO A 65 61.801 -20.618 21.991 1.00 36.93 N +ATOM 546 CA PRO A 65 62.530 -20.889 20.758 1.00 36.93 C +ATOM 547 C PRO A 65 61.994 -20.315 19.448 1.00 36.93 C +ATOM 548 O PRO A 65 62.767 -20.054 18.534 1.00 60.10 O +ATOM 549 CB PRO A 65 62.536 -22.410 20.721 1.00 60.10 C +ATOM 550 CG PRO A 65 61.293 -22.778 21.478 1.00 60.10 C +ATOM 551 CD PRO A 65 61.434 -21.885 22.643 1.00 60.10 C +ATOM 552 N SER A 66 60.689 -20.150 19.333 1.00 13.54 N +ATOM 553 CA SER A 66 60.089 -19.622 18.099 1.00 13.54 C +ATOM 554 C SER A 66 60.586 -18.231 17.636 1.00 13.54 C +ATOM 555 O SER A 66 60.396 -17.830 16.476 1.00 62.14 O +ATOM 556 CB SER A 66 58.583 -19.532 18.321 1.00 62.14 C +ATOM 557 OG SER A 66 58.304 -18.725 19.467 1.00 62.14 O +ATOM 558 N LEU A 67 61.178 -17.505 18.585 1.00 13.08 N +ATOM 559 CA LEU A 67 61.674 -16.159 18.392 1.00 13.08 C +ATOM 560 C LEU A 67 62.394 -15.813 17.150 1.00 13.08 C +ATOM 561 O LEU A 67 63.174 -16.609 16.662 1.00 18.53 O +ATOM 562 CB LEU A 67 62.568 -15.782 19.530 1.00 18.53 C +ATOM 563 CG LEU A 67 61.626 -15.334 20.606 1.00 18.53 C +ATOM 564 CD1 LEU A 67 62.381 -14.712 21.746 1.00 18.53 C +ATOM 565 CD2 LEU A 67 60.674 -14.320 19.970 1.00 18.53 C +ATOM 566 N ALA A 68 62.128 -14.623 16.620 1.00 6.69 N +ATOM 567 CA ALA A 68 62.835 -14.140 15.421 1.00 6.69 C +ATOM 568 C ALA A 68 63.501 -12.867 15.904 1.00 6.69 C +ATOM 569 O ALA A 68 63.028 -12.234 16.867 1.00 39.98 O +ATOM 570 CB ALA A 68 61.880 -13.845 14.294 1.00 39.98 C +ATOM 571 N PHE A 69 64.673 -12.567 15.374 1.00 17.16 N +ATOM 572 CA PHE A 69 65.342 -11.355 15.794 1.00 17.16 C +ATOM 573 C PHE A 69 65.630 -10.708 14.521 1.00 17.16 C +ATOM 574 O PHE A 69 66.591 -11.046 13.830 1.00 25.33 O +ATOM 575 CB PHE A 69 66.597 -11.653 16.515 1.00 25.33 C +ATOM 576 CG PHE A 69 66.361 -12.320 17.770 1.00 25.33 C +ATOM 577 CD1 PHE A 69 66.257 -13.688 17.819 1.00 25.33 C +ATOM 578 CD2 PHE A 69 66.220 -11.591 18.923 1.00 25.33 C +ATOM 579 CE1 PHE A 69 66.016 -14.324 19.019 1.00 25.33 C +ATOM 580 CE2 PHE A 69 65.980 -12.220 20.135 1.00 25.33 C +ATOM 581 CZ PHE A 69 65.879 -13.587 20.187 1.00 25.33 C +ATOM 582 N VAL A 70 64.733 -9.811 14.172 1.00 12.04 N +ATOM 583 CA VAL A 70 64.836 -9.139 12.924 1.00 12.04 C +ATOM 584 C VAL A 70 65.182 -7.704 13.146 1.00 12.04 C +ATOM 585 O VAL A 70 64.995 -7.172 14.242 1.00 17.01 O +ATOM 586 CB VAL A 70 63.513 -9.242 12.217 1.00 17.01 C +ATOM 587 CG1 VAL A 70 63.732 -9.295 10.746 1.00 17.01 C +ATOM 588 CG2 VAL A 70 62.786 -10.480 12.691 1.00 17.01 C +ATOM 589 N ARG A 71 65.836 -7.126 12.151 1.00 18.75 N +ATOM 590 CA ARG A 71 66.143 -5.732 12.232 1.00 18.75 C +ATOM 591 C ARG A 71 65.105 -4.971 11.427 1.00 18.75 C +ATOM 592 O ARG A 71 64.580 -5.448 10.415 1.00 51.53 O +ATOM 593 CB ARG A 71 67.573 -5.389 11.837 1.00 51.53 C +ATOM 594 CG ARG A 71 68.230 -6.120 10.678 1.00 51.53 C +ATOM 595 CD ARG A 71 69.729 -5.847 10.807 1.00 51.53 C +ATOM 596 NE ARG A 71 70.001 -5.518 12.223 1.00 51.53 N +ATOM 597 CZ ARG A 71 71.064 -5.893 12.939 1.00 51.53 C +ATOM 598 NH1 ARG A 71 72.037 -6.627 12.383 1.00 51.53 N +ATOM 599 NH2 ARG A 71 71.101 -5.610 14.246 1.00 51.53 N +ATOM 600 N PRO A 72 64.729 -3.797 11.947 1.00 13.45 N +ATOM 601 CA PRO A 72 63.756 -2.872 11.400 1.00 13.45 C +ATOM 602 C PRO A 72 63.650 -2.904 9.918 1.00 13.45 C +ATOM 603 O PRO A 72 62.547 -3.012 9.391 1.00 22.13 O +ATOM 604 CB PRO A 72 64.243 -1.530 11.915 1.00 22.13 C +ATOM 605 CG PRO A 72 65.612 -1.832 12.563 1.00 22.13 C +ATOM 606 CD PRO A 72 65.409 -3.180 13.095 1.00 22.13 C +ATOM 607 N ARG A 73 64.793 -2.922 9.247 1.00 6.10 N +ATOM 608 CA ARG A 73 64.795 -2.911 7.773 1.00 6.10 C +ATOM 609 C ARG A 73 63.722 -3.817 7.162 1.00 6.10 C +ATOM 610 O ARG A 73 63.088 -3.475 6.177 1.00 99.15 O +ATOM 611 CB ARG A 73 66.191 -3.233 7.235 1.00 99.15 C +ATOM 612 CG ARG A 73 66.371 -3.020 5.730 1.00 99.15 C +ATOM 613 CD ARG A 73 66.109 -1.574 5.273 1.00 99.15 C +ATOM 614 NE ARG A 73 66.902 -1.220 4.082 1.00 99.15 N +ATOM 615 CZ ARG A 73 66.867 -0.041 3.445 1.00 99.15 C +ATOM 616 NH1 ARG A 73 66.056 0.934 3.863 1.00 99.15 N +ATOM 617 NH2 ARG A 73 67.697 0.192 2.421 1.00 99.15 N +ATOM 618 N TRP A 74 63.428 -4.878 7.887 1.00 34.55 N +ATOM 619 CA TRP A 74 62.450 -5.846 7.481 1.00 34.55 C +ATOM 620 C TRP A 74 61.122 -5.159 7.403 1.00 34.55 C +ATOM 621 O TRP A 74 60.526 -5.050 6.331 1.00 8.84 O +ATOM 622 CB TRP A 74 62.384 -6.961 8.529 1.00 8.84 C +ATOM 623 CG TRP A 74 61.360 -8.033 8.254 1.00 8.84 C +ATOM 624 CD1 TRP A 74 61.019 -8.556 7.028 1.00 8.84 C +ATOM 625 CD2 TRP A 74 60.474 -8.629 9.201 1.00 8.84 C +ATOM 626 NE1 TRP A 74 59.956 -9.419 7.161 1.00 8.84 N +ATOM 627 CE2 TRP A 74 59.596 -9.479 8.479 1.00 8.84 C +ATOM 628 CE3 TRP A 74 60.331 -8.522 10.579 1.00 8.84 C +ATOM 629 CZ2 TRP A 74 58.591 -10.206 9.083 1.00 8.84 C +ATOM 630 CZ3 TRP A 74 59.330 -9.250 11.186 1.00 8.84 C +ATOM 631 CH2 TRP A 74 58.467 -10.083 10.434 1.00 8.84 C +ATOM 632 N ILE A 75 60.677 -4.676 8.559 1.00 16.87 N +ATOM 633 CA ILE A 75 59.405 -4.007 8.689 1.00 16.87 C +ATOM 634 C ILE A 75 59.179 -2.929 7.648 1.00 16.87 C +ATOM 635 O ILE A 75 58.057 -2.757 7.173 1.00 11.07 O +ATOM 636 CB ILE A 75 59.254 -3.502 10.062 1.00 11.07 C +ATOM 637 CG1 ILE A 75 58.808 -4.665 10.933 1.00 11.07 C +ATOM 638 CG2 ILE A 75 58.219 -2.476 10.106 1.00 11.07 C +ATOM 639 CD1 ILE A 75 59.376 -4.638 12.359 1.00 11.07 C +ATOM 640 N TYR A 76 60.261 -2.255 7.254 1.00 11.09 N +ATOM 641 CA TYR A 76 60.209 -1.232 6.223 1.00 11.09 C +ATOM 642 C TYR A 76 59.958 -1.929 4.915 1.00 11.09 C +ATOM 643 O TYR A 76 58.809 -2.051 4.494 1.00 32.39 O +ATOM 644 CB TYR A 76 61.495 -0.449 6.202 1.00 32.39 C +ATOM 645 CG TYR A 76 61.684 0.238 7.518 1.00 32.39 C +ATOM 646 CD1 TYR A 76 60.587 0.499 8.341 1.00 32.39 C +ATOM 647 CD2 TYR A 76 62.939 0.617 7.963 1.00 32.39 C +ATOM 648 CE1 TYR A 76 60.741 1.119 9.578 1.00 32.39 C +ATOM 649 CE2 TYR A 76 63.109 1.245 9.202 1.00 32.39 C +ATOM 650 CZ TYR A 76 62.006 1.488 10.003 1.00 32.39 C +ATOM 651 OH TYR A 76 62.164 2.078 11.239 1.00 32.39 O +ATOM 652 N SER A 77 61.010 -2.498 4.340 1.00 27.00 N +ATOM 653 CA SER A 77 60.930 -3.233 3.054 1.00 27.00 C +ATOM 654 C SER A 77 59.644 -4.037 2.888 1.00 27.00 C +ATOM 655 O SER A 77 59.127 -4.207 1.782 1.00 33.16 O +ATOM 656 CB SER A 77 62.137 -4.161 2.916 1.00 33.16 C +ATOM 657 OG SER A 77 62.496 -4.624 4.208 1.00 33.16 O +ATOM 658 N CYS A 78 59.137 -4.516 4.015 1.00 31.16 N +ATOM 659 CA CYS A 78 57.904 -5.273 4.042 1.00 31.16 C +ATOM 660 C CYS A 78 56.828 -4.360 3.450 1.00 31.16 C +ATOM 661 O CYS A 78 56.183 -4.680 2.434 1.00 39.08 O +ATOM 662 CB CYS A 78 57.575 -5.611 5.487 1.00 39.08 C +ATOM 663 SG CYS A 78 57.507 -7.338 5.777 1.00 39.08 S +ATOM 664 N ASN A 79 56.687 -3.197 4.077 1.00 46.74 N +ATOM 665 CA ASN A 79 55.744 -2.189 3.633 1.00 46.74 C +ATOM 666 C ASN A 79 56.135 -1.697 2.227 1.00 46.74 C +ATOM 667 O ASN A 79 55.317 -1.655 1.290 1.00 50.50 O +ATOM 668 CB ASN A 79 55.754 -1.037 4.642 1.00 50.50 C +ATOM 669 CG ASN A 79 55.463 0.294 4.009 1.00 50.50 C +ATOM 670 OD1 ASN A 79 56.338 1.161 3.983 1.00 50.50 O +ATOM 671 ND2 ASN A 79 54.246 0.468 3.474 1.00 50.50 N +ATOM 672 N GLU A 80 57.416 -1.367 2.105 1.00 20.61 N +ATOM 673 CA GLU A 80 58.013 -0.872 0.880 1.00 20.61 C +ATOM 674 C GLU A 80 57.748 -1.769 -0.361 1.00 20.61 C +ATOM 675 O GLU A 80 58.117 -1.415 -1.484 1.00 79.08 O +ATOM 676 CB GLU A 80 59.491 -0.694 1.156 1.00 79.08 C +ATOM 677 CG GLU A 80 60.026 0.601 0.709 1.00 79.08 C +ATOM 678 CD GLU A 80 60.983 0.398 -0.426 1.00 79.08 C +ATOM 679 OE1 GLU A 80 60.525 0.279 -1.589 1.00 79.08 O +ATOM 680 OE2 GLU A 80 62.199 0.308 -0.144 1.00 79.08 O +ATOM 681 N LYS A 81 57.048 -2.892 -0.145 1.00 41.61 N +ATOM 682 CA LYS A 81 56.704 -3.872 -1.189 1.00 41.61 C +ATOM 683 C LYS A 81 55.268 -4.294 -1.049 1.00 41.61 C +ATOM 684 O LYS A 81 54.717 -4.972 -1.927 1.00 91.25 O +ATOM 685 CB LYS A 81 57.504 -5.160 -1.012 1.00 91.25 C +ATOM 686 CG LYS A 81 58.712 -5.300 -1.871 1.00 91.25 C +ATOM 687 CD LYS A 81 59.714 -4.223 -1.542 1.00 91.25 C +ATOM 688 CE LYS A 81 61.144 -4.703 -1.764 1.00 91.25 C +ATOM 689 NZ LYS A 81 61.391 -5.246 -3.139 1.00 91.25 N +ATOM 690 N GLN A 82 54.707 -3.989 0.117 1.00 53.09 N +ATOM 691 CA GLN A 82 53.336 -4.365 0.441 1.00 53.09 C +ATOM 692 C GLN A 82 53.276 -5.887 0.340 1.00 53.09 C +ATOM 693 O GLN A 82 52.591 -6.447 -0.523 1.00 88.02 O +ATOM 694 CB GLN A 82 52.315 -3.707 -0.515 1.00 88.02 C +ATOM 695 CG GLN A 82 52.241 -2.170 -0.454 1.00 88.02 C +ATOM 696 CD GLN A 82 51.596 -1.638 0.820 1.00 88.02 C +ATOM 697 OE1 GLN A 82 52.249 -0.989 1.640 1.00 88.02 O +ATOM 698 NE2 GLN A 82 50.301 -1.883 0.972 1.00 88.02 N +ATOM 699 N LYS A 83 54.147 -6.524 1.117 1.00 41.59 N +ATOM 700 CA LYS A 83 54.220 -7.980 1.202 1.00 41.59 C +ATOM 701 C LYS A 83 55.036 -8.503 2.404 1.00 41.59 C +ATOM 702 O LYS A 83 55.974 -7.838 2.873 1.00 70.56 O +ATOM 703 CB LYS A 83 54.734 -8.618 -0.094 1.00 70.56 C +ATOM 704 CG LYS A 83 54.521 -10.139 -0.047 1.00 70.56 C +ATOM 705 CD LYS A 83 53.119 -10.474 0.591 1.00 70.56 C +ATOM 706 CE LYS A 83 53.103 -11.747 1.478 1.00 70.56 C +ATOM 707 NZ LYS A 83 51.872 -11.882 2.349 1.00 70.56 N +ATOM 708 N LEU A 84 54.626 -9.659 2.941 1.00 34.19 N +ATOM 709 CA LEU A 84 55.333 -10.276 4.055 1.00 34.19 C +ATOM 710 C LEU A 84 56.630 -10.854 3.514 1.00 34.19 C +ATOM 711 O LEU A 84 56.627 -11.760 2.680 1.00 32.28 O +ATOM 712 CB LEU A 84 54.522 -11.390 4.685 1.00 32.28 C +ATOM 713 CG LEU A 84 54.865 -11.457 6.162 1.00 32.28 C +ATOM 714 CD1 LEU A 84 54.024 -12.490 6.845 1.00 32.28 C +ATOM 715 CD2 LEU A 84 56.303 -11.760 6.367 1.00 32.28 C +ATOM 716 N LEU A 85 57.740 -10.282 3.955 1.00 16.12 N +ATOM 717 CA LEU A 85 59.044 -10.738 3.537 1.00 16.12 C +ATOM 718 C LEU A 85 59.626 -11.632 4.594 1.00 16.12 C +ATOM 719 O LEU A 85 59.418 -11.450 5.788 1.00 30.86 O +ATOM 720 CB LEU A 85 59.967 -9.561 3.278 1.00 30.86 C +ATOM 721 CG LEU A 85 59.595 -8.755 2.033 1.00 30.86 C +ATOM 722 CD1 LEU A 85 60.802 -7.924 1.621 1.00 30.86 C +ATOM 723 CD2 LEU A 85 59.175 -9.670 0.892 1.00 30.86 C +ATOM 724 N PRO A 86 60.386 -12.621 4.162 1.00 41.19 N +ATOM 725 CA PRO A 86 60.986 -13.541 5.126 1.00 41.19 C +ATOM 726 C PRO A 86 61.941 -12.755 5.990 1.00 41.19 C +ATOM 727 O PRO A 86 62.875 -12.120 5.502 1.00 9.49 O +ATOM 728 CB PRO A 86 61.733 -14.518 4.243 1.00 9.49 C +ATOM 729 CG PRO A 86 61.157 -14.262 2.800 1.00 9.49 C +ATOM 730 CD PRO A 86 60.918 -12.813 2.805 1.00 9.49 C +ATOM 731 N HIS A 87 61.677 -12.748 7.281 1.00 10.09 N +ATOM 732 CA HIS A 87 62.543 -12.012 8.172 1.00 10.09 C +ATOM 733 C HIS A 87 63.949 -12.516 8.068 1.00 10.09 C +ATOM 734 O HIS A 87 64.886 -11.811 8.414 1.00 28.44 O +ATOM 735 CB HIS A 87 62.111 -12.188 9.591 1.00 28.44 C +ATOM 736 CG HIS A 87 61.899 -13.603 9.947 1.00 28.44 C +ATOM 737 ND1 HIS A 87 61.177 -14.451 9.141 1.00 28.44 N +ATOM 738 CD2 HIS A 87 62.228 -14.308 11.048 1.00 28.44 C +ATOM 739 CE1 HIS A 87 61.052 -15.620 9.742 1.00 28.44 C +ATOM 740 NE2 HIS A 87 61.680 -15.558 10.902 1.00 28.44 N +ATOM 741 N GLN A 88 64.111 -13.747 7.627 1.00 47.30 N +ATOM 742 CA GLN A 88 65.439 -14.277 7.505 1.00 47.30 C +ATOM 743 C GLN A 88 66.417 -13.367 6.802 1.00 47.30 C +ATOM 744 O GLN A 88 67.532 -13.199 7.282 1.00 33.04 O +ATOM 745 CB GLN A 88 65.375 -15.606 6.822 1.00 33.04 C +ATOM 746 CG GLN A 88 64.614 -16.580 7.654 1.00 33.04 C +ATOM 747 CD GLN A 88 63.330 -16.949 7.030 1.00 33.04 C +ATOM 748 OE1 GLN A 88 63.141 -16.770 5.846 1.00 33.04 O +ATOM 749 NE2 GLN A 88 62.438 -17.501 7.814 1.00 33.04 N +ATOM 750 N LEU A 89 65.977 -12.705 5.732 1.00 17.17 N +ATOM 751 CA LEU A 89 66.873 -11.825 4.996 1.00 17.17 C +ATOM 752 C LEU A 89 67.337 -10.688 5.864 1.00 17.17 C +ATOM 753 O LEU A 89 68.442 -10.170 5.699 1.00 29.83 O +ATOM 754 CB LEU A 89 66.215 -11.276 3.749 1.00 29.83 C +ATOM 755 CG LEU A 89 65.708 -12.392 2.850 1.00 29.83 C +ATOM 756 CD1 LEU A 89 64.228 -12.271 2.726 1.00 29.83 C +ATOM 757 CD2 LEU A 89 66.338 -12.347 1.490 1.00 29.83 C +ATOM 758 N TYR A 90 66.539 -10.370 6.872 1.00 13.34 N +ATOM 759 CA TYR A 90 66.838 -9.250 7.760 1.00 13.34 C +ATOM 760 C TYR A 90 67.093 -9.766 9.151 1.00 13.34 C +ATOM 761 O TYR A 90 66.608 -9.216 10.145 1.00 22.67 O +ATOM 762 CB TYR A 90 65.627 -8.315 7.765 1.00 22.67 C +ATOM 763 CG TYR A 90 65.153 -7.971 6.371 1.00 22.67 C +ATOM 764 CD1 TYR A 90 65.774 -6.963 5.628 1.00 22.67 C +ATOM 765 CD2 TYR A 90 64.169 -8.727 5.751 1.00 22.67 C +ATOM 766 CE1 TYR A 90 65.440 -6.721 4.287 1.00 22.67 C +ATOM 767 CE2 TYR A 90 63.820 -8.498 4.401 1.00 22.67 C +ATOM 768 CZ TYR A 90 64.465 -7.496 3.666 1.00 22.67 C +ATOM 769 OH TYR A 90 64.171 -7.324 2.305 1.00 22.67 O +ATOM 770 N GLY A 91 67.909 -10.794 9.253 1.00 2.00 N +ATOM 771 CA GLY A 91 68.093 -11.364 10.575 1.00 2.00 C +ATOM 772 C GLY A 91 69.174 -10.812 11.448 1.00 2.00 C +ATOM 773 O GLY A 91 70.080 -10.113 11.004 1.00 36.21 O +ATOM 774 N VAL A 92 69.105 -11.201 12.702 1.00 11.55 N +ATOM 775 CA VAL A 92 70.074 -10.780 13.687 1.00 11.55 C +ATOM 776 C VAL A 92 70.583 -12.047 14.391 1.00 11.55 C +ATOM 777 O VAL A 92 69.831 -12.709 15.115 1.00 22.51 O +ATOM 778 CB VAL A 92 69.414 -9.870 14.710 1.00 22.51 C +ATOM 779 CG1 VAL A 92 70.312 -9.646 15.878 1.00 22.51 C +ATOM 780 CG2 VAL A 92 69.050 -8.583 14.068 1.00 22.51 C +ATOM 781 N VAL A 93 71.851 -12.396 14.160 1.00 49.60 N +ATOM 782 CA VAL A 93 72.458 -13.578 14.772 1.00 49.60 C +ATOM 783 C VAL A 93 73.636 -13.133 15.582 1.00 49.60 C +ATOM 784 O VAL A 93 74.227 -12.098 15.281 1.00 45.74 O +ATOM 785 CB VAL A 93 72.983 -14.492 13.714 1.00 45.74 C +ATOM 786 CG1 VAL A 93 71.833 -15.042 12.921 1.00 45.74 C +ATOM 787 CG2 VAL A 93 73.901 -13.723 12.799 1.00 45.74 C +ATOM 788 N PRO A 94 73.972 -13.863 16.658 1.00 33.95 N +ATOM 789 CA PRO A 94 75.140 -13.380 17.396 1.00 33.95 C +ATOM 790 C PRO A 94 76.218 -13.636 16.385 1.00 33.95 C +ATOM 791 O PRO A 94 76.069 -14.562 15.571 1.00 37.05 O +ATOM 792 CB PRO A 94 75.241 -14.352 18.566 1.00 37.05 C +ATOM 793 CG PRO A 94 74.741 -15.604 17.997 1.00 37.05 C +ATOM 794 CD PRO A 94 73.557 -15.188 17.142 1.00 37.05 C +ATOM 795 N GLN A 95 77.167 -12.718 16.255 1.00 71.81 N +ATOM 796 CA GLN A 95 78.211 -12.988 15.290 1.00 71.81 C +ATOM 797 C GLN A 95 79.254 -13.799 16.043 1.00 71.81 C +ATOM 798 O GLN A 95 79.879 -13.312 16.990 1.00133.96 O +ATOM 799 CB GLN A 95 78.804 -11.725 14.667 1.00133.96 C +ATOM 800 CG GLN A 95 79.549 -12.052 13.357 1.00133.96 C +ATOM 801 CD GLN A 95 80.228 -10.852 12.688 1.00133.96 C +ATOM 802 OE1 GLN A 95 80.099 -9.707 13.138 1.00133.96 O +ATOM 803 NE2 GLN A 95 80.956 -11.119 11.598 1.00133.96 N +ATOM 804 N ALA A 96 79.306 -15.082 15.691 1.00115.55 N +ATOM 805 CA ALA A 96 80.214 -16.072 16.274 1.00115.55 C +ATOM 806 C ALA A 96 79.855 -17.487 15.764 1.00115.55 C +ATOM 807 O ALA A 96 79.089 -17.634 14.766 1.00 96.85 O +ATOM 808 CB ALA A 96 80.152 -16.032 17.818 1.00 96.85 C Added: SwiftApps/modFTdock/input/1cr8-1.pdb =================================================================== --- SwiftApps/modFTdock/input/1cr8-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/1cr8-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,594 @@ +ATOM 1 N PRO A 3 3.414 1.811 -5.541 1.00 0.00 N +ATOM 2 CA PRO A 3 3.758 1.274 -6.859 1.00 0.00 C +ATOM 3 C PRO A 3 2.989 -0.030 -7.144 1.00 0.00 C +ATOM 4 O PRO A 3 3.550 -1.123 -7.129 1.00 0.00 O +ATOM 5 CB PRO A 3 5.282 1.102 -6.840 1.00 0.00 C +ATOM 6 CG PRO A 3 5.562 0.761 -5.379 1.00 0.00 C +ATOM 7 CD PRO A 3 4.540 1.616 -4.629 1.00 0.00 C +ATOM 8 HA PRO A 3 3.504 1.996 -7.637 1.00 0.00 H +ATOM 9 HB2 PRO A 3 5.632 0.324 -7.520 1.00 0.00 H +ATOM 10 HB3 PRO A 3 5.756 2.053 -7.086 1.00 0.00 H +ATOM 11 HG2 PRO A 3 5.361 -0.296 -5.200 1.00 0.00 H +ATOM 12 HG3 PRO A 3 6.584 1.011 -5.094 1.00 0.00 H +ATOM 13 HD2 PRO A 3 4.247 1.097 -3.718 1.00 0.00 H +ATOM 14 HD3 PRO A 3 4.985 2.581 -4.388 1.00 0.00 H +ATOM 15 N GLY A 4 1.690 0.090 -7.439 1.00 0.00 N +ATOM 16 CA GLY A 4 0.755 -1.011 -7.711 1.00 0.00 C +ATOM 17 C GLY A 4 0.982 -1.769 -9.030 1.00 0.00 C +ATOM 18 O GLY A 4 0.013 -2.182 -9.663 1.00 0.00 O +ATOM 19 H GLY A 4 1.311 1.027 -7.333 1.00 0.00 H +ATOM 20 HA2 GLY A 4 0.817 -1.732 -6.895 1.00 0.00 H +ATOM 21 HA3 GLY A 4 -0.259 -0.611 -7.723 1.00 0.00 H +ATOM 22 N GLY A 5 2.237 -1.933 -9.459 1.00 0.00 N +ATOM 23 CA GLY A 5 2.651 -2.581 -10.702 1.00 0.00 C +ATOM 24 C GLY A 5 3.968 -2.014 -11.248 1.00 0.00 C +ATOM 25 O GLY A 5 4.506 -1.040 -10.724 1.00 0.00 O +ATOM 26 H GLY A 5 2.972 -1.599 -8.839 1.00 0.00 H +ATOM 27 HA2 GLY A 5 2.777 -3.648 -10.517 1.00 0.00 H +ATOM 28 HA3 GLY A 5 1.877 -2.447 -11.458 1.00 0.00 H +ATOM 29 N CYS A 6 4.473 -2.632 -12.321 1.00 0.00 N +ATOM 30 CA CYS A 6 5.760 -2.324 -12.945 1.00 0.00 C +ATOM 31 C CYS A 6 5.588 -1.748 -14.368 1.00 0.00 C +ATOM 32 O CYS A 6 5.799 -0.562 -14.610 1.00 0.00 O +ATOM 33 CB CYS A 6 6.571 -3.629 -12.949 1.00 0.00 C +ATOM 34 SG CYS A 6 7.081 -4.252 -11.329 1.00 0.00 S +ATOM 35 H CYS A 6 4.011 -3.472 -12.632 1.00 0.00 H +ATOM 36 HA CYS A 6 6.301 -1.586 -12.350 1.00 0.00 H +ATOM 37 HB2 CYS A 6 5.979 -4.414 -13.420 1.00 0.00 H +ATOM 38 HB3 CYS A 6 7.464 -3.485 -13.552 1.00 0.00 H +ATOM 39 N HIS A 7 5.223 -2.623 -15.305 1.00 0.00 N +ATOM 40 CA HIS A 7 4.868 -2.521 -16.725 1.00 0.00 C +ATOM 41 C HIS A 7 3.865 -3.673 -16.993 1.00 0.00 C +ATOM 42 O HIS A 7 3.641 -4.390 -16.014 1.00 0.00 O +ATOM 43 CB HIS A 7 6.152 -2.758 -17.545 1.00 0.00 C +ATOM 44 CG HIS A 7 6.990 -1.532 -17.817 1.00 0.00 C +ATOM 45 ND1 HIS A 7 7.125 -0.430 -17.004 1.00 0.00 N +ATOM 46 CD2 HIS A 7 7.788 -1.335 -18.912 1.00 0.00 C +ATOM 47 CE1 HIS A 7 7.985 0.414 -17.598 1.00 0.00 C +ATOM 48 NE2 HIS A 7 8.413 -0.094 -18.764 1.00 0.00 N +ATOM 49 H HIS A 7 5.037 -3.572 -15.010 1.00 0.00 H +ATOM 50 HA HIS A 7 4.412 -1.560 -16.963 1.00 0.00 H +ATOM 51 HB2 HIS A 7 6.774 -3.497 -17.034 1.00 0.00 H +ATOM 52 HB3 HIS A 7 5.878 -3.198 -18.500 1.00 0.00 H +ATOM 53 HD1 HIS A 7 6.661 -0.298 -16.102 1.00 0.00 H +ATOM 54 HD2 HIS A 7 7.919 -2.022 -19.736 1.00 0.00 H +ATOM 55 HE1 HIS A 7 8.298 1.368 -17.195 1.00 0.00 H +ATOM 56 N THR A 8 3.391 -3.838 -18.242 1.00 0.00 N +ATOM 57 CA THR A 8 2.168 -4.575 -18.612 1.00 0.00 C +ATOM 58 C THR A 8 2.069 -5.911 -17.914 1.00 0.00 C +ATOM 59 O THR A 8 2.744 -6.859 -18.284 1.00 0.00 O +ATOM 60 CB THR A 8 1.966 -4.734 -20.133 1.00 0.00 C +ATOM 61 OG1 THR A 8 0.681 -5.276 -20.400 1.00 0.00 O +ATOM 62 CG2 THR A 8 3.026 -5.528 -20.909 1.00 0.00 C +ATOM 63 H THR A 8 3.832 -3.293 -18.967 1.00 0.00 H +ATOM 64 HA THR A 8 1.325 -3.975 -18.272 1.00 0.00 H +ATOM 65 HB THR A 8 1.974 -3.726 -20.549 1.00 0.00 H +ATOM 66 HG1 THR A 8 0.531 -6.174 -19.951 1.00 0.00 H +ATOM 67 HG21 THR A 8 4.028 -5.209 -20.619 1.00 0.00 H +ATOM 68 HG22 THR A 8 2.931 -6.596 -20.712 1.00 0.00 H +ATOM 69 HG23 THR A 8 2.890 -5.363 -21.976 1.00 0.00 H +ATOM 70 N ASP A 9 1.207 -5.988 -16.896 1.00 0.00 N +ATOM 71 CA ASP A 9 0.960 -7.228 -16.170 1.00 0.00 C +ATOM 72 C ASP A 9 2.240 -7.901 -15.608 1.00 0.00 C +ATOM 73 O ASP A 9 2.151 -9.019 -15.125 1.00 0.00 O +ATOM 74 CB ASP A 9 -0.015 -8.135 -16.977 1.00 0.00 C +ATOM 75 CG ASP A 9 0.278 -8.374 -18.478 1.00 0.00 C +ATOM 76 OD1 ASP A 9 0.088 -7.421 -19.285 1.00 0.00 O +ATOM 77 OD2 ASP A 9 0.599 -9.534 -18.825 1.00 0.00 O +ATOM 78 H ASP A 9 0.679 -5.170 -16.646 1.00 0.00 H +ATOM 79 HA ASP A 9 0.408 -6.951 -15.273 1.00 0.00 H +ATOM 80 HB2 ASP A 9 -0.101 -9.098 -16.471 1.00 0.00 H +ATOM 81 HB3 ASP A 9 -1.003 -7.674 -16.918 1.00 0.00 H +ATOM 82 N GLU A 10 3.401 -7.218 -15.581 1.00 0.00 N +ATOM 83 CA GLU A 10 4.709 -7.698 -15.058 1.00 0.00 C +ATOM 84 C GLU A 10 4.674 -7.962 -13.537 1.00 0.00 C +ATOM 85 O GLU A 10 3.800 -7.473 -12.817 1.00 0.00 O +ATOM 86 CB GLU A 10 5.835 -6.677 -15.336 1.00 0.00 C +ATOM 87 CG GLU A 10 6.629 -6.875 -16.629 1.00 0.00 C +ATOM 88 CD GLU A 10 5.793 -7.237 -17.864 1.00 0.00 C +ATOM 89 OE1 GLU A 10 5.420 -8.424 -18.082 1.00 0.00 O +ATOM 90 OE2 GLU A 10 5.601 -6.272 -18.641 1.00 0.00 O +ATOM 91 H GLU A 10 3.366 -6.247 -15.842 1.00 0.00 H +ATOM 92 HA GLU A 10 4.998 -8.622 -15.574 1.00 0.00 H +ATOM 93 HB2 GLU A 10 5.453 -5.666 -15.314 1.00 0.00 H +ATOM 94 HB3 GLU A 10 6.570 -6.717 -14.530 1.00 0.00 H +ATOM 95 HG2 GLU A 10 7.169 -5.945 -16.820 1.00 0.00 H +ATOM 96 HG3 GLU A 10 7.405 -7.606 -16.461 1.00 0.00 H +ATOM 97 N PHE A 11 5.675 -8.692 -13.020 1.00 0.00 N +ATOM 98 CA PHE A 11 5.626 -9.249 -11.677 1.00 0.00 C +ATOM 99 C PHE A 11 6.615 -8.575 -10.725 1.00 0.00 C +ATOM 100 O PHE A 11 7.768 -8.330 -11.058 1.00 0.00 O +ATOM 101 CB PHE A 11 6.008 -10.713 -11.749 1.00 0.00 C +ATOM 102 CG PHE A 11 5.876 -11.449 -10.429 1.00 0.00 C +ATOM 103 CD1 PHE A 11 4.622 -11.561 -9.794 1.00 0.00 C +ATOM 104 CD2 PHE A 11 6.993 -12.112 -9.891 1.00 0.00 C +ATOM 105 CE1 PHE A 11 4.481 -12.364 -8.648 1.00 0.00 C +ATOM 106 CE2 PHE A 11 6.848 -12.915 -8.752 1.00 0.00 C +ATOM 107 CZ PHE A 11 5.591 -13.063 -8.144 1.00 0.00 C +ATOM 108 H PHE A 11 6.395 -9.004 -13.647 1.00 0.00 H +ATOM 109 HA PHE A 11 4.592 -9.196 -11.328 1.00 0.00 H +ATOM 110 HB2 PHE A 11 5.414 -11.205 -12.511 1.00 0.00 H +ATOM 111 HB3 PHE A 11 7.032 -10.770 -12.090 1.00 0.00 H +ATOM 112 HD1 PHE A 11 3.753 -11.072 -10.210 1.00 0.00 H +ATOM 113 HD2 PHE A 11 7.959 -12.052 -10.371 1.00 0.00 H +ATOM 114 HE1 PHE A 11 3.508 -12.482 -8.192 1.00 0.00 H +ATOM 115 HE2 PHE A 11 7.710 -13.450 -8.389 1.00 0.00 H +ATOM 116 HZ PHE A 11 5.473 -13.752 -7.324 1.00 0.00 H +ATOM 117 N GLN A 12 6.257 -8.337 -9.454 1.00 0.00 N +ATOM 118 CA GLN A 12 7.206 -7.735 -8.497 1.00 0.00 C +ATOM 119 C GLN A 12 7.503 -8.629 -7.291 1.00 0.00 C +ATOM 120 O GLN A 12 6.591 -9.121 -6.622 1.00 0.00 O +ATOM 121 CB GLN A 12 6.737 -6.329 -8.093 1.00 0.00 C +ATOM 122 CG GLN A 12 7.741 -5.654 -7.143 1.00 0.00 C +ATOM 123 CD GLN A 12 7.489 -4.159 -6.992 1.00 0.00 C +ATOM 124 OE1 GLN A 12 6.397 -3.721 -6.669 1.00 0.00 O +ATOM 125 NE2 GLN A 12 8.496 -3.331 -7.192 1.00 0.00 N +ATOM 126 H GLN A 12 5.327 -8.568 -9.139 1.00 0.00 H +ATOM 127 HA GLN A 12 8.165 -7.620 -9.006 1.00 0.00 H +ATOM 128 HB2 GLN A 12 6.649 -5.727 -8.994 1.00 0.00 H +ATOM 129 HB3 GLN A 12 5.754 -6.377 -7.623 1.00 0.00 H +ATOM 130 HG2 GLN A 12 7.680 -6.114 -6.157 1.00 0.00 H +ATOM 131 HG3 GLN A 12 8.748 -5.801 -7.530 1.00 0.00 H +ATOM 132 HE21 GLN A 12 9.436 -3.674 -7.413 1.00 0.00 H +ATOM 133 HE22 GLN A 12 8.275 -2.357 -7.096 1.00 0.00 H +ATOM 134 N CYS A 13 8.797 -8.821 -7.007 1.00 0.00 N +ATOM 135 CA CYS A 13 9.296 -9.763 -6.002 1.00 0.00 C +ATOM 136 C CYS A 13 9.614 -9.132 -4.647 1.00 0.00 C +ATOM 137 O CYS A 13 10.504 -8.295 -4.529 1.00 0.00 O +ATOM 138 CB CYS A 13 10.501 -10.512 -6.564 1.00 0.00 C +ATOM 139 SG CYS A 13 9.937 -12.130 -7.136 1.00 0.00 S +ATOM 140 H CYS A 13 9.469 -8.342 -7.605 1.00 0.00 H +ATOM 141 HA CYS A 13 8.513 -10.501 -5.822 1.00 0.00 H +ATOM 142 HB2 CYS A 13 10.968 -9.929 -7.356 1.00 0.00 H +ATOM 143 HB3 CYS A 13 11.262 -10.650 -5.795 1.00 0.00 H +ATOM 144 N ARG A 14 8.913 -9.583 -3.598 1.00 0.00 N +ATOM 145 CA ARG A 14 8.914 -8.962 -2.267 1.00 0.00 C +ATOM 146 C ARG A 14 10.177 -9.265 -1.452 1.00 0.00 C +ATOM 147 O ARG A 14 10.339 -8.706 -0.373 1.00 0.00 O +ATOM 148 CB ARG A 14 7.641 -9.354 -1.488 1.00 0.00 C +ATOM 149 CG ARG A 14 6.352 -8.678 -2.000 1.00 0.00 C +ATOM 150 CD ARG A 14 5.774 -9.239 -3.309 1.00 0.00 C +ATOM 151 NE ARG A 14 5.430 -10.667 -3.180 1.00 0.00 N +ATOM 152 CZ ARG A 14 5.414 -11.597 -4.128 1.00 0.00 C +ATOM 153 NH1 ARG A 14 5.706 -11.343 -5.381 1.00 0.00 N +ATOM 154 NH2 ARG A 14 5.105 -12.833 -3.815 1.00 0.00 N +ATOM 155 H ARG A 14 8.357 -10.417 -3.721 1.00 0.00 H +ATOM 156 HA ARG A 14 8.915 -7.876 -2.386 1.00 0.00 H +ATOM 157 HB2 ARG A 14 7.529 -10.439 -1.479 1.00 0.00 H +ATOM 158 HB3 ARG A 14 7.767 -9.036 -0.452 1.00 0.00 H +ATOM 159 HG2 ARG A 14 5.588 -8.781 -1.227 1.00 0.00 H +ATOM 160 HG3 ARG A 14 6.540 -7.611 -2.129 1.00 0.00 H +ATOM 161 HD2 ARG A 14 4.871 -8.678 -3.556 1.00 0.00 H +ATOM 162 HD3 ARG A 14 6.489 -9.080 -4.114 1.00 0.00 H +ATOM 163 HE ARG A 14 5.159 -10.969 -2.259 1.00 0.00 H +ATOM 164 HH11 ARG A 14 5.936 -10.390 -5.680 1.00 0.00 H +ATOM 165 HH12 ARG A 14 5.669 -12.046 -6.093 1.00 0.00 H +ATOM 166 HH21 ARG A 14 4.880 -13.080 -2.867 1.00 0.00 H +ATOM 167 HH22 ARG A 14 5.127 -13.548 -4.517 1.00 0.00 H +ATOM 168 N LEU A 15 11.083 -10.102 -1.974 1.00 0.00 N +ATOM 169 CA LEU A 15 12.412 -10.297 -1.396 1.00 0.00 C +ATOM 170 C LEU A 15 13.265 -9.013 -1.497 1.00 0.00 C +ATOM 171 O LEU A 15 14.121 -8.761 -0.654 1.00 0.00 O +ATOM 172 CB LEU A 15 13.140 -11.457 -2.120 1.00 0.00 C +ATOM 173 CG LEU A 15 13.994 -12.392 -1.230 1.00 0.00 C +ATOM 174 CD1 LEU A 15 14.977 -13.179 -2.101 1.00 0.00 C +ATOM 175 CD2 LEU A 15 14.834 -11.719 -0.141 1.00 0.00 C +ATOM 176 H LEU A 15 10.870 -10.534 -2.858 1.00 0.00 H +ATOM 177 HA LEU A 15 12.253 -10.550 -0.352 1.00 0.00 H +ATOM 178 HB2 LEU A 15 12.406 -12.088 -2.622 1.00 0.00 H +ATOM 179 HB3 LEU A 15 13.772 -11.033 -2.903 1.00 0.00 H +ATOM 180 HG LEU A 15 13.321 -13.099 -0.744 1.00 0.00 H +ATOM 181 HD11 LEU A 15 14.460 -13.618 -2.947 1.00 0.00 H +ATOM 182 HD12 LEU A 15 15.756 -12.518 -2.481 1.00 0.00 H +ATOM 183 HD13 LEU A 15 15.440 -13.976 -1.520 1.00 0.00 H +ATOM 184 HD21 LEU A 15 15.514 -10.992 -0.588 1.00 0.00 H +ATOM 185 HD22 LEU A 15 14.191 -11.216 0.579 1.00 0.00 H +ATOM 186 HD23 LEU A 15 15.417 -12.471 0.391 1.00 0.00 H +ATOM 187 N ASP A 16 13.061 -8.243 -2.574 1.00 0.00 N +ATOM 188 CA ASP A 16 14.078 -7.343 -3.131 1.00 0.00 C +ATOM 189 C ASP A 16 13.467 -6.117 -3.841 1.00 0.00 C +ATOM 190 O ASP A 16 13.933 -4.999 -3.635 1.00 0.00 O +ATOM 191 CB ASP A 16 14.994 -8.204 -4.034 1.00 0.00 C +ATOM 192 CG ASP A 16 15.284 -7.625 -5.415 1.00 0.00 C +ATOM 193 OD1 ASP A 16 14.374 -7.761 -6.265 1.00 0.00 O +ATOM 194 OD2 ASP A 16 16.396 -7.093 -5.613 1.00 0.00 O +ATOM 195 H ASP A 16 12.281 -8.491 -3.165 1.00 0.00 H +ATOM 196 HA ASP A 16 14.690 -6.950 -2.317 1.00 0.00 H +ATOM 197 HB2 ASP A 16 15.930 -8.385 -3.505 1.00 0.00 H +ATOM 198 HB3 ASP A 16 14.535 -9.181 -4.202 1.00 0.00 H +ATOM 199 N GLY A 17 12.403 -6.313 -4.630 1.00 0.00 N +ATOM 200 CA GLY A 17 11.638 -5.270 -5.308 1.00 0.00 C +ATOM 201 C GLY A 17 11.698 -5.279 -6.841 1.00 0.00 C +ATOM 202 O GLY A 17 11.036 -4.424 -7.437 1.00 0.00 O +ATOM 203 H GLY A 17 12.050 -7.260 -4.723 1.00 0.00 H +ATOM 204 HA2 GLY A 17 10.592 -5.374 -5.020 1.00 0.00 H +ATOM 205 HA3 GLY A 17 11.974 -4.289 -4.971 1.00 0.00 H +ATOM 206 N LEU A 18 12.447 -6.182 -7.501 1.00 0.00 N +ATOM 207 CA LEU A 18 12.599 -6.133 -8.964 1.00 0.00 C +ATOM 208 C LEU A 18 11.300 -6.504 -9.702 1.00 0.00 C +ATOM 209 O LEU A 18 10.385 -7.081 -9.113 1.00 0.00 O +ATOM 210 CB LEU A 18 13.844 -6.931 -9.424 1.00 0.00 C +ATOM 211 CG LEU A 18 13.659 -8.358 -9.979 1.00 0.00 C +ATOM 212 CD1 LEU A 18 15.022 -8.960 -10.330 1.00 0.00 C +ATOM 213 CD2 LEU A 18 12.951 -9.295 -9.007 1.00 0.00 C +ATOM 214 H LEU A 18 12.983 -6.892 -6.986 1.00 0.00 H +ATOM 215 HA LEU A 18 12.800 -5.088 -9.207 1.00 0.00 H +ATOM 216 HB2 LEU A 18 14.319 -6.349 -10.214 1.00 0.00 H +ATOM 217 HB3 LEU A 18 14.556 -6.973 -8.600 1.00 0.00 H +ATOM 218 HG LEU A 18 13.075 -8.308 -10.897 1.00 0.00 H +ATOM 219 HD11 LEU A 18 15.517 -8.338 -11.075 1.00 0.00 H +ATOM 220 HD12 LEU A 18 15.647 -9.013 -9.438 1.00 0.00 H +ATOM 221 HD13 LEU A 18 14.894 -9.960 -10.746 1.00 0.00 H +ATOM 222 HD21 LEU A 18 13.421 -9.249 -8.027 1.00 0.00 H +ATOM 223 HD22 LEU A 18 11.913 -8.997 -8.928 1.00 0.00 H +ATOM 224 HD23 LEU A 18 12.974 -10.308 -9.386 1.00 0.00 H +ATOM 225 N CYS A 19 11.250 -6.194 -11.002 1.00 0.00 N +ATOM 226 CA CYS A 19 10.085 -6.337 -11.870 1.00 0.00 C +ATOM 227 C CYS A 19 10.384 -7.301 -13.039 1.00 0.00 C +ATOM 228 O CYS A 19 11.364 -7.063 -13.745 1.00 0.00 O +ATOM 229 CB CYS A 19 9.761 -4.951 -12.437 1.00 0.00 C +ATOM 230 SG CYS A 19 9.050 -3.763 -11.271 1.00 0.00 S +ATOM 231 H CYS A 19 12.055 -5.757 -11.423 1.00 0.00 H +ATOM 232 HA CYS A 19 9.245 -6.678 -11.266 1.00 0.00 H +ATOM 233 HB2 CYS A 19 10.676 -4.523 -12.849 1.00 0.00 H +ATOM 234 HB3 CYS A 19 9.063 -5.072 -13.265 1.00 0.00 H +ATOM 235 N ILE A 20 9.569 -8.354 -13.261 1.00 0.00 N +ATOM 236 CA ILE A 20 9.875 -9.396 -14.264 1.00 0.00 C +ATOM 237 C ILE A 20 8.742 -9.695 -15.267 1.00 0.00 C +ATOM 238 O ILE A 20 7.538 -9.573 -15.016 1.00 0.00 O +ATOM 239 CB ILE A 20 10.531 -10.665 -13.645 1.00 0.00 C +ATOM 240 CG1 ILE A 20 9.657 -11.538 -12.726 1.00 0.00 C +ATOM 241 CG2 ILE A 20 11.795 -10.261 -12.866 1.00 0.00 C +ATOM 242 CD1 ILE A 20 8.666 -12.454 -13.464 1.00 0.00 C +ATOM 243 H ILE A 20 8.849 -8.440 -12.570 1.00 0.00 H +ATOM 244 HA ILE A 20 10.661 -8.973 -14.887 1.00 0.00 H +ATOM 245 HB ILE A 20 10.870 -11.304 -14.458 1.00 0.00 H +ATOM 246 HG12 ILE A 20 10.307 -12.199 -12.154 1.00 0.00 H +ATOM 247 HG13 ILE A 20 9.146 -10.898 -12.012 1.00 0.00 H +ATOM 248 HG21 ILE A 20 12.423 -9.611 -13.475 1.00 0.00 H +ATOM 249 HG22 ILE A 20 11.525 -9.752 -11.942 1.00 0.00 H +ATOM 250 HG23 ILE A 20 12.373 -11.149 -12.622 1.00 0.00 H +ATOM 251 HD11 ILE A 20 9.199 -13.081 -14.179 1.00 0.00 H +ATOM 252 HD12 ILE A 20 8.167 -13.099 -12.742 1.00 0.00 H +ATOM 253 HD13 ILE A 20 7.908 -11.879 -13.989 1.00 0.00 H +ATOM 254 N PRO A 21 9.085 -10.067 -16.521 1.00 0.00 N +ATOM 255 CA PRO A 21 8.085 -10.163 -17.583 1.00 0.00 C +ATOM 256 C PRO A 21 7.184 -11.378 -17.400 1.00 0.00 C +ATOM 257 O PRO A 21 7.639 -12.479 -17.693 1.00 0.00 O +ATOM 258 CB PRO A 21 8.848 -10.147 -18.910 1.00 0.00 C +ATOM 259 CG PRO A 21 10.216 -10.712 -18.527 1.00 0.00 C +ATOM 260 CD PRO A 21 10.419 -10.215 -17.095 1.00 0.00 C +ATOM 261 HA PRO A 21 7.445 -9.294 -17.539 1.00 0.00 H +ATOM 262 HB2 PRO A 21 8.361 -10.749 -19.679 1.00 0.00 H +ATOM 263 HB3 PRO A 21 8.946 -9.114 -19.250 1.00 0.00 H +ATOM 264 HG2 PRO A 21 10.180 -11.803 -18.531 1.00 0.00 H +ATOM 265 HG3 PRO A 21 11.002 -10.356 -19.193 1.00 0.00 H +ATOM 266 HD2 PRO A 21 11.023 -10.936 -16.546 1.00 0.00 H +ATOM 267 HD3 PRO A 21 10.916 -9.244 -17.116 1.00 0.00 H +ATOM 268 N LEU A 22 5.949 -11.110 -16.951 1.00 0.00 N +ATOM 269 CA LEU A 22 5.099 -12.084 -16.227 1.00 0.00 C +ATOM 270 C LEU A 22 4.618 -13.261 -17.102 1.00 0.00 C +ATOM 271 O LEU A 22 4.229 -14.324 -16.611 1.00 0.00 O +ATOM 272 CB LEU A 22 3.952 -11.334 -15.523 1.00 0.00 C +ATOM 273 CG LEU A 22 2.936 -12.198 -14.732 1.00 0.00 C +ATOM 274 CD1 LEU A 22 2.488 -11.629 -13.374 1.00 0.00 C +ATOM 275 CD2 LEU A 22 1.651 -12.393 -15.526 1.00 0.00 C +ATOM 276 H LEU A 22 5.712 -10.144 -17.193 1.00 0.00 H +ATOM 277 HA LEU A 22 5.725 -12.518 -15.449 1.00 0.00 H +ATOM 278 HB2 LEU A 22 4.406 -10.633 -14.826 1.00 0.00 H +ATOM 279 HB3 LEU A 22 3.424 -10.757 -16.283 1.00 0.00 H +ATOM 280 HG LEU A 22 3.374 -13.171 -14.535 1.00 0.00 H +ATOM 281 HD11 LEU A 22 3.341 -11.357 -12.769 1.00 0.00 H +ATOM 282 HD12 LEU A 22 1.871 -10.744 -13.507 1.00 0.00 H +ATOM 283 HD13 LEU A 22 1.895 -12.370 -12.842 1.00 0.00 H +ATOM 284 HD21 LEU A 22 1.872 -12.842 -16.492 1.00 0.00 H +ATOM 285 HD22 LEU A 22 0.972 -13.035 -14.969 1.00 0.00 H +ATOM 286 HD23 LEU A 22 1.187 -11.417 -15.674 1.00 0.00 H +ATOM 287 N ARG A 23 4.792 -13.137 -18.421 1.00 0.00 N +ATOM 288 CA ARG A 23 4.774 -14.257 -19.369 1.00 0.00 C +ATOM 289 C ARG A 23 5.700 -15.418 -18.954 1.00 0.00 C +ATOM 290 O ARG A 23 5.489 -16.533 -19.420 1.00 0.00 O +ATOM 291 CB ARG A 23 5.102 -13.695 -20.760 1.00 0.00 C +ATOM 292 CG ARG A 23 4.698 -14.640 -21.905 1.00 0.00 C +ATOM 293 CD ARG A 23 4.660 -13.902 -23.251 1.00 0.00 C +ATOM 294 NE ARG A 23 3.624 -12.848 -23.254 1.00 0.00 N +ATOM 295 CZ ARG A 23 3.595 -11.735 -23.976 1.00 0.00 C +ATOM 296 NH1 ARG A 23 4.459 -11.512 -24.938 1.00 0.00 N +ATOM 297 NH2 ARG A 23 2.688 -10.817 -23.732 1.00 0.00 N +ATOM 298 H ARG A 23 5.131 -12.234 -18.723 1.00 0.00 H +ATOM 299 HA ARG A 23 3.763 -14.665 -19.380 1.00 0.00 H +ATOM 300 HB2 ARG A 23 4.561 -12.755 -20.868 1.00 0.00 H +ATOM 301 HB3 ARG A 23 6.169 -13.474 -20.828 1.00 0.00 H +ATOM 302 HG2 ARG A 23 5.416 -15.459 -21.965 1.00 0.00 H +ATOM 303 HG3 ARG A 23 3.710 -15.058 -21.707 1.00 0.00 H +ATOM 304 HD2 ARG A 23 5.645 -13.467 -23.434 1.00 0.00 H +ATOM 305 HD3 ARG A 23 4.443 -14.624 -24.041 1.00 0.00 H +ATOM 306 HE ARG A 23 2.898 -12.942 -22.563 1.00 0.00 H +ATOM 307 HH11 ARG A 23 5.144 -12.221 -25.128 1.00 0.00 H +ATOM 308 HH12 ARG A 23 4.438 -10.661 -25.469 1.00 0.00 H +ATOM 309 HH21 ARG A 23 2.050 -10.919 -22.959 1.00 0.00 H +ATOM 310 HH22 ARG A 23 2.680 -9.962 -24.258 1.00 0.00 H +ATOM 311 N TRP A 24 6.661 -15.163 -18.053 1.00 0.00 N +ATOM 312 CA TRP A 24 7.645 -16.102 -17.513 1.00 0.00 C +ATOM 313 C TRP A 24 7.341 -16.515 -16.040 1.00 0.00 C +ATOM 314 O TRP A 24 8.144 -16.960 -15.210 1.00 0.00 O +ATOM 315 CB TRP A 24 9.033 -15.507 -17.756 1.00 0.00 C +ATOM 316 CG TRP A 24 9.447 -15.302 -19.187 1.00 0.00 C +ATOM 317 CD1 TRP A 24 9.077 -14.289 -20.004 1.00 0.00 C +ATOM 318 CD2 TRP A 24 10.364 -16.129 -19.966 1.00 0.00 C +ATOM 319 NE1 TRP A 24 9.676 -14.447 -21.240 1.00 0.00 N +ATOM 320 CE2 TRP A 24 10.479 -15.568 -21.272 1.00 0.00 C +ATOM 321 CE3 TRP A 24 11.123 -17.289 -19.695 1.00 0.00 C +ATOM 322 CZ2 TRP A 24 11.290 -16.136 -22.268 1.00 0.00 C +ATOM 323 CZ3 TRP A 24 11.941 -17.868 -20.685 1.00 0.00 C +ATOM 324 CH2 TRP A 24 12.024 -17.298 -21.969 1.00 0.00 C +ATOM 325 H TRP A 24 6.904 -14.207 -17.869 1.00 0.00 H +ATOM 326 HA TRP A 24 7.600 -17.015 -18.103 1.00 0.00 H +ATOM 327 HB2 TRP A 24 9.160 -14.583 -17.191 1.00 0.00 H +ATOM 328 HB3 TRP A 24 9.729 -16.230 -17.378 1.00 0.00 H +ATOM 329 HD1 TRP A 24 8.423 -13.481 -19.716 1.00 0.00 H +ATOM 330 HE1 TRP A 24 9.567 -13.798 -22.002 1.00 0.00 H +ATOM 331 HE3 TRP A 24 11.086 -17.711 -18.695 1.00 0.00 H +ATOM 332 HZ2 TRP A 24 11.357 -15.681 -23.244 1.00 0.00 H +ATOM 333 HZ3 TRP A 24 12.519 -18.748 -20.440 1.00 0.00 H +ATOM 334 HH2 TRP A 24 12.662 -17.747 -22.715 1.00 0.00 H +ATOM 335 N ARG A 25 6.063 -16.408 -15.630 1.00 0.00 N +ATOM 336 CA ARG A 25 5.569 -17.037 -14.388 1.00 0.00 C +ATOM 337 C ARG A 25 5.040 -18.484 -14.471 1.00 0.00 C +ATOM 338 O ARG A 25 4.189 -18.836 -13.654 1.00 0.00 O +ATOM 339 CB ARG A 25 4.584 -16.067 -13.729 1.00 0.00 C +ATOM 340 CG ARG A 25 5.374 -14.837 -13.273 1.00 0.00 C +ATOM 341 CD ARG A 25 4.724 -14.073 -12.126 1.00 0.00 C +ATOM 342 NE ARG A 25 4.611 -14.829 -10.867 1.00 0.00 N +ATOM 343 CZ ARG A 25 3.538 -15.432 -10.377 1.00 0.00 C +ATOM 344 NH1 ARG A 25 2.384 -15.423 -11.003 1.00 0.00 N +ATOM 345 NH2 ARG A 25 3.617 -16.056 -9.228 1.00 0.00 N +ATOM 346 H ARG A 25 5.450 -15.710 -16.034 1.00 0.00 H +ATOM 347 HA ARG A 25 6.404 -17.149 -13.699 1.00 0.00 H +ATOM 348 HB2 ARG A 25 3.791 -15.783 -14.421 1.00 0.00 H +ATOM 349 HB3 ARG A 25 4.131 -16.547 -12.871 1.00 0.00 H +ATOM 350 HG2 ARG A 25 6.380 -15.118 -12.975 1.00 0.00 H +ATOM 351 HG3 ARG A 25 5.488 -14.164 -14.117 1.00 0.00 H +ATOM 352 HD2 ARG A 25 5.378 -13.237 -11.950 1.00 0.00 H +ATOM 353 HD3 ARG A 25 3.754 -13.700 -12.432 1.00 0.00 H +ATOM 354 HE ARG A 25 5.442 -14.917 -10.302 1.00 0.00 H +ATOM 355 HH11 ARG A 25 2.366 -15.012 -11.919 1.00 0.00 H +ATOM 356 HH12 ARG A 25 1.594 -15.922 -10.644 1.00 0.00 H +ATOM 357 HH21 ARG A 25 4.554 -16.160 -8.830 1.00 0.00 H +ATOM 358 HH22 ARG A 25 2.846 -16.584 -8.874 1.00 0.00 H +ATOM 359 N CYS A 26 5.483 -19.335 -15.410 1.00 0.00 N +ATOM 360 CA CYS A 26 5.026 -20.740 -15.484 1.00 0.00 C +ATOM 361 C CYS A 26 5.835 -21.596 -16.490 1.00 0.00 C +ATOM 362 O CYS A 26 5.280 -22.191 -17.416 1.00 0.00 O +ATOM 363 CB CYS A 26 3.505 -20.807 -15.763 1.00 0.00 C +ATOM 364 SG CYS A 26 2.618 -22.068 -14.800 1.00 0.00 S +ATOM 365 H CYS A 26 6.328 -19.076 -15.928 1.00 0.00 H +ATOM 366 HA CYS A 26 5.196 -21.177 -14.499 1.00 0.00 H +ATOM 367 HB2 CYS A 26 3.037 -19.849 -15.546 1.00 0.00 H +ATOM 368 HB3 CYS A 26 3.331 -20.989 -16.823 1.00 0.00 H +ATOM 369 N ASP A 27 7.154 -21.666 -16.311 1.00 0.00 N +ATOM 370 CA ASP A 27 8.130 -22.153 -17.299 1.00 0.00 C +ATOM 371 C ASP A 27 9.143 -23.130 -16.684 1.00 0.00 C +ATOM 372 O ASP A 27 9.610 -24.036 -17.375 1.00 0.00 O +ATOM 373 CB ASP A 27 8.835 -20.965 -18.002 1.00 0.00 C +ATOM 374 CG ASP A 27 8.897 -19.690 -17.148 1.00 0.00 C +ATOM 375 OD1 ASP A 27 7.800 -19.080 -17.068 1.00 0.00 O +ATOM 376 OD2 ASP A 27 9.997 -19.401 -16.616 1.00 0.00 O +ATOM 377 H ASP A 27 7.559 -21.100 -15.551 1.00 0.00 H +ATOM 378 HA ASP A 27 7.605 -22.717 -18.070 1.00 0.00 H +ATOM 379 HB2 ASP A 27 9.839 -21.260 -18.310 1.00 0.00 H +ATOM 380 HB3 ASP A 27 8.275 -20.733 -18.910 1.00 0.00 H +ATOM 381 N GLY A 28 9.418 -23.009 -15.382 1.00 0.00 N +ATOM 382 CA GLY A 28 10.238 -23.938 -14.603 1.00 0.00 C +ATOM 383 C GLY A 28 11.659 -23.442 -14.329 1.00 0.00 C +ATOM 384 O GLY A 28 12.428 -24.154 -13.686 1.00 0.00 O +ATOM 385 H GLY A 28 9.059 -22.164 -14.924 1.00 0.00 H +ATOM 386 HA2 GLY A 28 9.752 -24.104 -13.642 1.00 0.00 H +ATOM 387 HA3 GLY A 28 10.304 -24.895 -15.118 1.00 0.00 H +ATOM 388 N ASP A 29 11.996 -22.231 -14.776 1.00 0.00 N +ATOM 389 CA ASP A 29 13.176 -21.468 -14.382 1.00 0.00 C +ATOM 390 C ASP A 29 12.740 -20.003 -14.202 1.00 0.00 C +ATOM 391 O ASP A 29 11.696 -19.646 -14.755 1.00 0.00 O +ATOM 392 CB ASP A 29 14.291 -21.648 -15.431 1.00 0.00 C +ATOM 393 CG ASP A 29 15.686 -21.242 -14.936 1.00 0.00 C +ATOM 394 OD1 ASP A 29 15.798 -20.798 -13.769 1.00 0.00 O +ATOM 395 OD2 ASP A 29 16.640 -21.408 -15.730 1.00 0.00 O +ATOM 396 H ASP A 29 11.287 -21.640 -15.213 1.00 0.00 H +ATOM 397 HA ASP A 29 13.532 -21.846 -13.423 1.00 0.00 H +ATOM 398 HB2 ASP A 29 14.337 -22.702 -15.712 1.00 0.00 H +ATOM 399 HB3 ASP A 29 14.040 -21.074 -16.325 1.00 0.00 H +ATOM 400 N THR A 30 13.533 -19.264 -13.422 1.00 0.00 N +ATOM 401 CA THR A 30 13.064 -18.258 -12.479 1.00 0.00 C +ATOM 402 C THR A 30 13.748 -16.922 -12.738 1.00 0.00 C +ATOM 403 O THR A 30 14.908 -16.721 -12.368 1.00 0.00 O +ATOM 404 CB THR A 30 13.316 -18.720 -11.039 1.00 0.00 C +ATOM 405 OG1 THR A 30 14.695 -18.891 -10.814 1.00 0.00 O +ATOM 406 CG2 THR A 30 12.593 -20.024 -10.686 1.00 0.00 C +ATOM 407 H THR A 30 14.428 -19.694 -13.179 1.00 0.00 H +ATOM 408 HA THR A 30 11.988 -18.129 -12.594 1.00 0.00 H +ATOM 409 HB THR A 30 12.962 -17.936 -10.379 1.00 0.00 H +ATOM 410 HG1 THR A 30 15.118 -18.139 -11.270 1.00 0.00 H +ATOM 411 HG21 THR A 30 11.521 -19.895 -10.834 1.00 0.00 H +ATOM 412 HG22 THR A 30 12.949 -20.837 -11.317 1.00 0.00 H +ATOM 413 HG23 THR A 30 12.794 -20.284 -9.648 1.00 0.00 H +ATOM 414 N ASP A 31 13.013 -16.020 -13.373 1.00 0.00 N +ATOM 415 CA ASP A 31 13.396 -14.674 -13.761 1.00 0.00 C +ATOM 416 C ASP A 31 13.464 -13.718 -12.554 1.00 0.00 C +ATOM 417 O ASP A 31 14.344 -12.856 -12.513 1.00 0.00 O +ATOM 418 CB ASP A 31 12.393 -14.186 -14.820 1.00 0.00 C +ATOM 419 CG ASP A 31 12.381 -15.080 -16.073 1.00 0.00 C +ATOM 420 OD1 ASP A 31 11.832 -16.187 -16.311 1.00 0.00 O +ATOM 421 OD2 ASP A 31 12.969 -14.788 -17.139 1.00 0.00 O +ATOM 422 H ASP A 31 12.038 -16.285 -13.588 1.00 0.00 H +ATOM 423 HA ASP A 31 14.387 -14.710 -14.215 1.00 0.00 H +ATOM 424 HB2 ASP A 31 11.393 -14.106 -14.405 1.00 0.00 H +ATOM 425 HB3 ASP A 31 12.688 -13.181 -15.125 1.00 0.00 H +ATOM 426 N CYS A 32 12.582 -13.861 -11.550 1.00 0.00 N +ATOM 427 CA CYS A 32 12.718 -13.149 -10.273 1.00 0.00 C +ATOM 428 C CYS A 32 13.993 -13.548 -9.500 1.00 0.00 C +ATOM 429 O CYS A 32 14.466 -14.678 -9.563 1.00 0.00 O +ATOM 430 CB CYS A 32 11.456 -13.362 -9.411 1.00 0.00 C +ATOM 431 SG CYS A 32 11.604 -13.144 -7.620 1.00 0.00 S +ATOM 432 H CYS A 32 11.787 -14.492 -11.684 1.00 0.00 H +ATOM 433 HA CYS A 32 12.793 -12.090 -10.505 1.00 0.00 H +ATOM 434 HB2 CYS A 32 10.655 -12.699 -9.757 1.00 0.00 H +ATOM 435 HB3 CYS A 32 11.128 -14.390 -9.548 1.00 0.00 H +ATOM 436 N MET A 33 14.448 -12.630 -8.637 1.00 0.00 N +ATOM 437 CA MET A 33 15.525 -12.710 -7.637 1.00 0.00 C +ATOM 438 C MET A 33 15.400 -13.866 -6.610 1.00 0.00 C +ATOM 439 O MET A 33 16.243 -13.985 -5.726 1.00 0.00 O +ATOM 440 CB MET A 33 15.558 -11.326 -6.946 1.00 0.00 C +ATOM 441 CG MET A 33 16.906 -10.861 -6.381 1.00 0.00 C +ATOM 442 SD MET A 33 17.161 -11.104 -4.604 1.00 0.00 S +ATOM 443 CE MET A 33 18.531 -9.946 -4.354 1.00 0.00 C +ATOM 444 H MET A 33 13.928 -11.769 -8.623 1.00 0.00 H +ATOM 445 HA MET A 33 16.464 -12.853 -8.173 1.00 0.00 H +ATOM 446 HB2 MET A 33 15.294 -10.576 -7.690 1.00 0.00 H +ATOM 447 HB3 MET A 33 14.796 -11.279 -6.166 1.00 0.00 H +ATOM 448 HG2 MET A 33 17.719 -11.332 -6.933 1.00 0.00 H +ATOM 449 HG3 MET A 33 16.969 -9.787 -6.562 1.00 0.00 H +ATOM 450 HE1 MET A 33 19.368 -10.223 -4.994 1.00 0.00 H +ATOM 451 HE2 MET A 33 18.204 -8.935 -4.603 1.00 0.00 H +ATOM 452 HE3 MET A 33 18.845 -9.975 -3.311 1.00 0.00 H +ATOM 453 N ASP A 34 14.370 -14.719 -6.712 1.00 0.00 N +ATOM 454 CA ASP A 34 14.132 -15.869 -5.831 1.00 0.00 C +ATOM 455 C ASP A 34 13.630 -17.118 -6.593 1.00 0.00 C +ATOM 456 O ASP A 34 14.360 -18.102 -6.671 1.00 0.00 O +ATOM 457 CB ASP A 34 13.259 -15.444 -4.618 1.00 0.00 C +ATOM 458 CG ASP A 34 11.847 -16.028 -4.581 1.00 0.00 C +ATOM 459 OD1 ASP A 34 11.694 -17.184 -4.132 1.00 0.00 O +ATOM 460 OD2 ASP A 34 10.922 -15.392 -5.143 1.00 0.00 O +ATOM 461 H ASP A 34 13.833 -14.624 -7.562 1.00 0.00 H +ATOM 462 HA ASP A 34 15.100 -16.160 -5.418 1.00 0.00 H +ATOM 463 HB2 ASP A 34 13.773 -15.760 -3.709 1.00 0.00 H +ATOM 464 HB3 ASP A 34 13.177 -14.357 -4.588 1.00 0.00 H +ATOM 465 N SER A 35 12.392 -17.083 -7.117 1.00 0.00 N +ATOM 466 CA SER A 35 11.549 -18.241 -7.502 1.00 0.00 C +ATOM 467 C SER A 35 10.051 -17.927 -7.689 1.00 0.00 C +ATOM 468 O SER A 35 9.318 -18.726 -8.276 1.00 0.00 O +ATOM 469 CB SER A 35 11.628 -19.393 -6.475 1.00 0.00 C +ATOM 470 OG SER A 35 10.910 -19.120 -5.280 1.00 0.00 O +ATOM 471 H SER A 35 11.956 -16.179 -7.027 1.00 0.00 H +ATOM 472 HA SER A 35 11.925 -18.615 -8.449 1.00 0.00 H +ATOM 473 HB2 SER A 35 11.183 -20.278 -6.932 1.00 0.00 H +ATOM 474 HB3 SER A 35 12.657 -19.648 -6.233 1.00 0.00 H +ATOM 475 HG SER A 35 11.288 -18.292 -4.789 1.00 0.00 H +ATOM 476 N SER A 36 9.567 -16.783 -7.185 1.00 0.00 N +ATOM 477 CA SER A 36 8.154 -16.434 -7.000 1.00 0.00 C +ATOM 478 C SER A 36 7.429 -16.184 -8.318 1.00 0.00 C +ATOM 479 O SER A 36 6.200 -16.069 -8.324 1.00 0.00 O +ATOM 480 CB SER A 36 8.005 -15.209 -6.087 1.00 0.00 C +ATOM 481 OG SER A 36 8.556 -15.439 -4.811 1.00 0.00 O +ATOM 482 H SER A 36 10.208 -16.161 -6.733 1.00 0.00 H +ATOM 483 HA SER A 36 7.659 -17.273 -6.511 1.00 0.00 H +ATOM 484 HB2 SER A 36 8.503 -14.349 -6.528 1.00 0.00 H +ATOM 485 HB3 SER A 36 6.948 -14.974 -5.964 1.00 0.00 H +ATOM 486 HG SER A 36 9.582 -15.426 -4.914 1.00 0.00 H +ATOM 487 N ASP A 37 8.163 -16.171 -9.437 1.00 0.00 N +ATOM 488 CA ASP A 37 7.635 -16.491 -10.755 1.00 0.00 C +ATOM 489 C ASP A 37 6.678 -17.679 -10.657 1.00 0.00 C +ATOM 490 O ASP A 37 5.536 -17.606 -11.094 1.00 0.00 O +ATOM 491 CB ASP A 37 8.747 -16.923 -11.730 1.00 0.00 C +ATOM 492 CG ASP A 37 9.727 -15.864 -12.213 1.00 0.00 C +ATOM 493 OD1 ASP A 37 9.899 -14.880 -11.457 1.00 0.00 O +ATOM 494 OD2 ASP A 37 10.365 -16.012 -13.280 1.00 0.00 O +ATOM 495 H ASP A 37 9.171 -16.171 -9.367 1.00 0.00 H +ATOM 496 HA ASP A 37 7.118 -15.620 -11.137 1.00 0.00 H +ATOM 497 HB2 ASP A 37 9.332 -17.709 -11.252 1.00 0.00 H +ATOM 498 HB3 ASP A 37 8.250 -17.334 -12.604 1.00 0.00 H +ATOM 499 N GLU A 38 7.157 -18.779 -10.072 1.00 0.00 N +ATOM 500 CA GLU A 38 6.580 -20.095 -10.383 1.00 0.00 C +ATOM 501 C GLU A 38 6.632 -21.116 -9.247 1.00 0.00 C +ATOM 502 O GLU A 38 5.965 -22.147 -9.335 1.00 0.00 O +ATOM 503 CB GLU A 38 7.122 -20.599 -11.728 1.00 0.00 C +ATOM 504 CG GLU A 38 8.650 -20.748 -11.831 1.00 0.00 C +ATOM 505 CD GLU A 38 9.067 -20.187 -13.182 1.00 0.00 C +ATOM 506 OE1 GLU A 38 8.603 -20.640 -14.255 1.00 0.00 O +ATOM 507 OE2 GLU A 38 9.771 -19.155 -13.289 1.00 0.00 O +ATOM 508 H GLU A 38 8.071 -18.660 -9.607 1.00 0.00 H +ATOM 509 HA GLU A 38 5.513 -19.949 -10.553 1.00 0.00 H +ATOM 510 HB2 GLU A 38 6.638 -21.528 -12.026 1.00 0.00 H +ATOM 511 HB3 GLU A 38 6.794 -19.864 -12.465 1.00 0.00 H +ATOM 512 HG2 GLU A 38 9.147 -20.198 -11.031 1.00 0.00 H +ATOM 513 HG3 GLU A 38 8.941 -21.795 -11.756 1.00 0.00 H +ATOM 514 N LYS A 39 7.193 -20.743 -8.085 1.00 0.00 N +ATOM 515 CA LYS A 39 6.957 -21.367 -6.762 1.00 0.00 C +ATOM 516 C LYS A 39 5.473 -21.390 -6.311 1.00 0.00 C +ATOM 517 O LYS A 39 5.181 -21.663 -5.146 1.00 0.00 O +ATOM 518 CB LYS A 39 7.869 -20.677 -5.717 1.00 0.00 C +ATOM 519 CG LYS A 39 8.740 -21.639 -4.885 1.00 0.00 C +ATOM 520 CD LYS A 39 8.024 -22.664 -3.988 1.00 0.00 C +ATOM 521 CE LYS A 39 7.512 -22.115 -2.647 1.00 0.00 C +ATOM 522 NZ LYS A 39 6.444 -21.105 -2.814 1.00 0.00 N +ATOM 523 H LYS A 39 7.790 -19.918 -8.122 1.00 0.00 H +ATOM 524 HA LYS A 39 7.258 -22.410 -6.858 1.00 0.00 H +ATOM 525 HB2 LYS A 39 8.563 -20.017 -6.232 1.00 0.00 H +ATOM 526 HB3 LYS A 39 7.282 -20.028 -5.070 1.00 0.00 H +ATOM 527 HG2 LYS A 39 9.371 -22.189 -5.583 1.00 0.00 H +ATOM 528 HG3 LYS A 39 9.403 -21.047 -4.253 1.00 0.00 H +ATOM 529 HD2 LYS A 39 7.213 -23.146 -4.534 1.00 0.00 H +ATOM 530 HD3 LYS A 39 8.750 -23.444 -3.752 1.00 0.00 H +ATOM 531 HE2 LYS A 39 7.123 -22.958 -2.070 1.00 0.00 H +ATOM 532 HE3 LYS A 39 8.352 -21.686 -2.093 1.00 0.00 H +ATOM 533 HZ1 LYS A 39 5.785 -21.421 -3.532 1.00 0.00 H +ATOM 534 HZ2 LYS A 39 5.950 -20.944 -1.948 1.00 0.00 H +ATOM 535 HZ3 LYS A 39 6.841 -20.235 -3.142 1.00 0.00 H +ATOM 536 N SER A 40 4.540 -21.068 -7.211 1.00 0.00 N +ATOM 537 CA SER A 40 3.084 -21.147 -7.080 1.00 0.00 C +ATOM 538 C SER A 40 2.365 -21.369 -8.433 1.00 0.00 C +ATOM 539 O SER A 40 1.172 -21.075 -8.528 1.00 0.00 O +ATOM 540 CB SER A 40 2.576 -19.880 -6.375 1.00 0.00 C +ATOM 541 OG SER A 40 1.183 -19.962 -6.173 1.00 0.00 O +ATOM 542 H SER A 40 4.925 -20.932 -8.132 1.00 0.00 H +ATOM 543 HA SER A 40 2.846 -22.010 -6.460 1.00 0.00 H +ATOM 544 HB2 SER A 40 3.070 -19.773 -5.408 1.00 0.00 H +ATOM 545 HB3 SER A 40 2.800 -19.008 -6.990 1.00 0.00 H +ATOM 546 HG SER A 40 0.816 -20.321 -7.007 1.00 0.00 H +ATOM 547 N CYS A 41 3.059 -21.871 -9.467 1.00 0.00 N +ATOM 548 CA CYS A 41 2.494 -22.172 -10.790 1.00 0.00 C +ATOM 549 C CYS A 41 2.809 -23.620 -11.181 1.00 0.00 C +ATOM 550 O CYS A 41 3.572 -23.907 -12.100 1.00 0.00 O +ATOM 551 CB CYS A 41 2.921 -21.134 -11.839 1.00 0.00 C +ATOM 552 SG CYS A 41 1.775 -21.029 -13.249 1.00 0.00 S +ATOM 553 H CYS A 41 4.006 -22.196 -9.301 1.00 0.00 H +ATOM 554 HA CYS A 41 1.407 -22.105 -10.721 1.00 0.00 H +ATOM 555 HB2 CYS A 41 2.928 -20.157 -11.359 1.00 0.00 H +ATOM 556 HB3 CYS A 41 3.930 -21.342 -12.197 1.00 0.00 H +ATOM 557 N GLU A 42 2.226 -24.538 -10.410 1.00 0.00 N +ATOM 558 CA GLU A 42 2.201 -25.972 -10.708 1.00 0.00 C +ATOM 559 C GLU A 42 1.321 -26.314 -11.928 1.00 0.00 C +ATOM 560 O GLU A 42 0.537 -25.494 -12.409 1.00 0.00 O +ATOM 561 CB GLU A 42 1.753 -26.748 -9.453 1.00 0.00 C +ATOM 562 CG GLU A 42 0.276 -26.542 -9.055 1.00 0.00 C +ATOM 563 CD GLU A 42 -0.561 -27.826 -9.177 1.00 0.00 C +ATOM 564 OE1 GLU A 42 -0.562 -28.426 -10.277 1.00 0.00 O +ATOM 565 OE2 GLU A 42 -1.189 -28.198 -8.161 1.00 0.00 O +ATOM 566 H GLU A 42 1.660 -24.179 -9.658 1.00 0.00 H +ATOM 567 HA GLU A 42 3.220 -26.281 -10.947 1.00 0.00 H +ATOM 568 HB2 GLU A 42 1.949 -27.809 -9.606 1.00 0.00 H +ATOM 569 HB3 GLU A 42 2.381 -26.433 -8.617 1.00 0.00 H +ATOM 570 HG2 GLU A 42 0.252 -26.193 -8.020 1.00 0.00 H +ATOM 571 HG3 GLU A 42 -0.179 -25.755 -9.660 1.00 0.00 H +ATOM 572 N GLY A 43 1.426 -27.561 -12.396 1.00 0.00 N +ATOM 573 CA GLY A 43 0.454 -28.177 -13.291 1.00 0.00 C +ATOM 574 C GLY A 43 0.686 -29.685 -13.394 1.00 0.00 C +ATOM 575 O GLY A 43 1.823 -30.149 -13.293 1.00 0.00 O +ATOM 576 H GLY A 43 2.070 -28.199 -11.953 1.00 0.00 H +ATOM 577 HA2 GLY A 43 -0.549 -27.992 -12.905 1.00 0.00 H +ATOM 578 HA3 GLY A 43 0.544 -27.734 -14.283 1.00 0.00 H +ATOM 579 N VAL A 44 -0.386 -30.447 -13.650 1.00 0.00 N +ATOM 580 CA VAL A 44 -0.394 -31.911 -13.832 1.00 0.00 C +ATOM 581 C VAL A 44 0.527 -32.614 -12.828 1.00 0.00 C +ATOM 582 O VAL A 44 0.177 -33.671 -12.305 1.00 0.00 O +ATOM 583 CB VAL A 44 -0.044 -32.285 -15.291 1.00 0.00 C +ATOM 584 CG1 VAL A 44 -0.057 -33.803 -15.524 1.00 0.00 C +ATOM 585 CG2 VAL A 44 -1.042 -31.659 -16.278 1.00 0.00 C +ATOM 586 H VAL A 44 -1.275 -29.969 -13.681 1.00 0.00 H +ATOM 587 HA VAL A 44 -1.403 -32.271 -13.630 1.00 0.00 H +ATOM 588 HB VAL A 44 0.954 -31.913 -15.526 1.00 0.00 H +ATOM 589 HG11 VAL A 44 -1.025 -34.219 -15.243 1.00 0.00 H +ATOM 590 HG12 VAL A 44 0.134 -34.020 -16.575 1.00 0.00 H +ATOM 591 HG13 VAL A 44 0.724 -34.285 -14.935 1.00 0.00 H +ATOM 592 HG21 VAL A 44 -2.055 -31.992 -16.050 1.00 0.00 H +ATOM 593 HG22 VAL A 44 -0.999 -30.572 -16.224 1.00 0.00 H +ATOM 594 HG23 VAL A 44 -0.791 -31.955 -17.297 1.00 0.00 H Added: SwiftApps/modFTdock/input/1dv0-1.pdb =================================================================== --- SwiftApps/modFTdock/input/1dv0-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/1dv0-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,710 @@ +ATOM 1 N GLN A 1 28.264 11.297 6.524 1.00 0.00 N +ATOM 2 CA GLN A 1 29.549 11.974 6.654 1.00 0.00 C +ATOM 3 C GLN A 1 30.660 11.272 5.855 1.00 0.00 C +ATOM 4 O GLN A 1 31.702 11.865 5.591 1.00 0.00 O +ATOM 5 CB GLN A 1 29.969 12.114 8.135 1.00 0.00 C +ATOM 6 CG GLN A 1 29.478 13.426 8.785 1.00 0.00 C +ATOM 7 CD GLN A 1 30.626 14.303 9.317 1.00 0.00 C +ATOM 8 OE1 GLN A 1 30.822 15.438 8.887 1.00 0.00 O +ATOM 9 NE2 GLN A 1 31.337 13.724 10.301 1.00 0.00 N +ATOM 10 H GLN A 1 28.069 11.159 5.506 1.00 0.00 H +ATOM 11 HA GLN A 1 29.432 12.960 6.205 1.00 0.00 H +ATOM 12 HB2 GLN A 1 29.572 11.270 8.700 1.00 0.00 H +ATOM 13 HB3 GLN A 1 31.051 12.022 8.242 1.00 0.00 H +ATOM 14 HG2 GLN A 1 28.910 14.034 8.087 1.00 0.00 H +ATOM 15 HG3 GLN A 1 28.785 13.199 9.596 1.00 0.00 H +ATOM 16 HE21 GLN A 1 31.194 12.757 10.532 1.00 0.00 H +ATOM 17 HE22 GLN A 1 32.016 14.236 10.824 1.00 0.00 H +ATOM 18 N GLU A 2 30.388 10.001 5.493 1.00 0.00 N +ATOM 19 CA GLU A 2 31.340 9.168 4.763 1.00 0.00 C +ATOM 20 C GLU A 2 30.715 8.587 3.479 1.00 0.00 C +ATOM 21 O GLU A 2 31.302 7.728 2.829 1.00 0.00 O +ATOM 22 CB GLU A 2 31.847 8.059 5.691 1.00 0.00 C +ATOM 23 CG GLU A 2 30.736 7.110 6.178 1.00 0.00 C +ATOM 24 CD GLU A 2 30.408 7.317 7.668 1.00 0.00 C +ATOM 25 OE1 GLU A 2 30.037 8.421 8.046 1.00 0.00 O +ATOM 26 OE2 GLU A 2 30.528 6.361 8.437 1.00 0.00 O +ATOM 27 H GLU A 2 29.511 9.598 5.751 1.00 0.00 H +ATOM 28 HA GLU A 2 32.183 9.781 4.453 1.00 0.00 H +ATOM 29 HB2 GLU A 2 32.588 7.474 5.156 1.00 0.00 H +ATOM 30 HB3 GLU A 2 32.400 8.499 6.524 1.00 0.00 H +ATOM 31 HG2 GLU A 2 29.816 7.224 5.601 1.00 0.00 H +ATOM 32 HG3 GLU A 2 31.063 6.086 6.013 1.00 0.00 H +ATOM 33 N LYS A 3 29.509 9.109 3.158 1.00 0.00 N +ATOM 34 CA LYS A 3 28.757 8.678 1.980 1.00 0.00 C +ATOM 35 C LYS A 3 29.418 9.108 0.666 1.00 0.00 C +ATOM 36 O LYS A 3 29.131 8.563 -0.394 1.00 0.00 O +ATOM 37 CB LYS A 3 27.304 9.151 2.059 1.00 0.00 C +ATOM 38 CG LYS A 3 27.122 10.674 2.108 1.00 0.00 C +ATOM 39 CD LYS A 3 27.065 11.340 0.725 1.00 0.00 C +ATOM 40 CE LYS A 3 26.272 12.657 0.751 1.00 0.00 C +ATOM 41 NZ LYS A 3 26.918 13.747 0.029 1.00 0.00 N +ATOM 42 H LYS A 3 29.091 9.798 3.748 1.00 0.00 H +ATOM 43 HA LYS A 3 28.741 7.600 2.009 1.00 0.00 H +ATOM 44 HB2 LYS A 3 26.723 8.717 1.242 1.00 0.00 H +ATOM 45 HB3 LYS A 3 26.860 8.734 2.962 1.00 0.00 H +ATOM 46 HG2 LYS A 3 26.186 10.858 2.632 1.00 0.00 H +ATOM 47 HG3 LYS A 3 27.892 11.152 2.716 1.00 0.00 H +ATOM 48 HD2 LYS A 3 28.076 11.510 0.359 1.00 0.00 H +ATOM 49 HD3 LYS A 3 26.598 10.667 0.005 1.00 0.00 H +ATOM 50 HE2 LYS A 3 25.284 12.499 0.317 1.00 0.00 H +ATOM 51 HE3 LYS A 3 26.110 12.996 1.773 1.00 0.00 H +ATOM 52 HZ1 LYS A 3 27.778 14.032 0.542 1.00 0.00 H +ATOM 53 HZ2 LYS A 3 26.269 14.560 -0.025 1.00 0.00 H +ATOM 54 HZ3 LYS A 3 27.173 13.441 -0.931 1.00 0.00 H +ATOM 55 N GLU A 4 30.325 10.096 0.809 1.00 0.00 N +ATOM 56 CA GLU A 4 31.077 10.633 -0.318 1.00 0.00 C +ATOM 57 C GLU A 4 32.030 9.581 -0.908 1.00 0.00 C +ATOM 58 O GLU A 4 32.455 9.667 -2.054 1.00 0.00 O +ATOM 59 CB GLU A 4 31.891 11.842 0.178 1.00 0.00 C +ATOM 60 CG GLU A 4 31.945 12.993 -0.844 1.00 0.00 C +ATOM 61 CD GLU A 4 33.284 13.070 -1.604 1.00 0.00 C +ATOM 62 OE1 GLU A 4 34.324 13.168 -0.957 1.00 0.00 O +ATOM 63 OE2 GLU A 4 33.270 13.043 -2.837 1.00 0.00 O +ATOM 64 H GLU A 4 30.519 10.438 1.729 1.00 0.00 H +ATOM 65 HA GLU A 4 30.327 10.911 -1.061 1.00 0.00 H +ATOM 66 HB2 GLU A 4 31.421 12.229 1.080 1.00 0.00 H +ATOM 67 HB3 GLU A 4 32.885 11.545 0.522 1.00 0.00 H +ATOM 68 HG2 GLU A 4 31.121 12.918 -1.554 1.00 0.00 H +ATOM 69 HG3 GLU A 4 31.787 13.938 -0.326 1.00 0.00 H +ATOM 70 N ALA A 5 32.324 8.597 -0.044 1.00 0.00 N +ATOM 71 CA ALA A 5 33.150 7.467 -0.403 1.00 0.00 C +ATOM 72 C ALA A 5 32.291 6.312 -0.893 1.00 0.00 C +ATOM 73 O ALA A 5 32.751 5.530 -1.698 1.00 0.00 O +ATOM 74 CB ALA A 5 33.904 7.028 0.840 1.00 0.00 C +ATOM 75 H ALA A 5 31.949 8.640 0.882 1.00 0.00 H +ATOM 76 HA ALA A 5 33.856 7.763 -1.188 1.00 0.00 H +ATOM 77 HB1 ALA A 5 34.841 6.544 0.556 1.00 0.00 H +ATOM 78 HB2 ALA A 5 33.358 6.358 1.505 1.00 0.00 H +ATOM 79 HB3 ALA A 5 34.071 7.905 1.453 1.00 0.00 H +ATOM 80 N ILE A 6 31.034 6.221 -0.384 1.00 0.00 N +ATOM 81 CA ILE A 6 30.210 5.048 -0.704 1.00 0.00 C +ATOM 82 C ILE A 6 29.899 4.961 -2.224 1.00 0.00 C +ATOM 83 O ILE A 6 29.431 3.943 -2.714 1.00 0.00 O +ATOM 84 CB ILE A 6 28.922 4.968 0.154 1.00 0.00 C +ATOM 85 CG1 ILE A 6 29.201 5.155 1.666 1.00 0.00 C +ATOM 86 CG2 ILE A 6 28.152 3.653 -0.078 1.00 0.00 C +ATOM 87 CD1 ILE A 6 29.605 3.908 2.454 1.00 0.00 C +ATOM 88 H ILE A 6 30.674 6.895 0.260 1.00 0.00 H +ATOM 89 HA ILE A 6 30.829 4.206 -0.418 1.00 0.00 H +ATOM 90 HB ILE A 6 28.252 5.774 -0.163 1.00 0.00 H +ATOM 91 HG12 ILE A 6 29.980 5.893 1.844 1.00 0.00 H +ATOM 92 HG13 ILE A 6 28.290 5.536 2.123 1.00 0.00 H +ATOM 93 HG21 ILE A 6 28.785 2.779 0.070 1.00 0.00 H +ATOM 94 HG22 ILE A 6 27.750 3.597 -1.088 1.00 0.00 H +ATOM 95 HG23 ILE A 6 27.317 3.557 0.613 1.00 0.00 H +ATOM 96 HD11 ILE A 6 30.426 3.376 1.977 1.00 0.00 H +ATOM 97 HD12 ILE A 6 28.765 3.232 2.589 1.00 0.00 H +ATOM 98 HD13 ILE A 6 29.926 4.201 3.453 1.00 0.00 H +ATOM 99 N GLU A 7 30.202 6.076 -2.923 1.00 0.00 N +ATOM 100 CA GLU A 7 30.046 6.197 -4.367 1.00 0.00 C +ATOM 101 C GLU A 7 31.409 6.176 -5.079 1.00 0.00 C +ATOM 102 O GLU A 7 31.499 5.760 -6.225 1.00 0.00 O +ATOM 103 CB GLU A 7 29.286 7.496 -4.667 1.00 0.00 C +ATOM 104 CG GLU A 7 30.084 8.762 -4.309 1.00 0.00 C +ATOM 105 CD GLU A 7 29.189 10.014 -4.223 1.00 0.00 C +ATOM 106 OE1 GLU A 7 28.218 9.991 -3.467 1.00 0.00 O +ATOM 107 OE2 GLU A 7 29.474 10.999 -4.903 1.00 0.00 O +ATOM 108 H GLU A 7 30.585 6.858 -2.434 1.00 0.00 H +ATOM 109 HA GLU A 7 29.467 5.346 -4.723 1.00 0.00 H +ATOM 110 HB2 GLU A 7 28.998 7.528 -5.718 1.00 0.00 H +ATOM 111 HB3 GLU A 7 28.356 7.469 -4.099 1.00 0.00 H +ATOM 112 HG2 GLU A 7 30.586 8.637 -3.351 1.00 0.00 H +ATOM 113 HG3 GLU A 7 30.869 8.915 -5.051 1.00 0.00 H +ATOM 114 N ARG A 8 32.444 6.643 -4.354 1.00 0.00 N +ATOM 115 CA ARG A 8 33.804 6.707 -4.891 1.00 0.00 C +ATOM 116 C ARG A 8 34.503 5.338 -4.832 1.00 0.00 C +ATOM 117 O ARG A 8 35.456 5.081 -5.557 1.00 0.00 O +ATOM 118 CB ARG A 8 34.587 7.771 -4.098 1.00 0.00 C +ATOM 119 CG ARG A 8 35.417 8.684 -5.006 1.00 0.00 C +ATOM 120 CD ARG A 8 35.708 10.054 -4.378 1.00 0.00 C +ATOM 121 NE ARG A 8 37.134 10.242 -4.122 1.00 0.00 N +ATOM 122 CZ ARG A 8 38.006 10.501 -5.120 1.00 0.00 C +ATOM 123 NH1 ARG A 8 37.637 10.400 -6.399 1.00 0.00 N +ATOM 124 NH2 ARG A 8 39.253 10.873 -4.819 1.00 0.00 N +ATOM 125 H ARG A 8 32.271 6.969 -3.425 1.00 0.00 H +ATOM 126 HA ARG A 8 33.711 6.999 -5.938 1.00 0.00 H +ATOM 127 HB2 ARG A 8 33.863 8.388 -3.574 1.00 0.00 H +ATOM 128 HB3 ARG A 8 35.213 7.348 -3.309 1.00 0.00 H +ATOM 129 HG2 ARG A 8 36.337 8.177 -5.292 1.00 0.00 H +ATOM 130 HG3 ARG A 8 34.876 8.867 -5.935 1.00 0.00 H +ATOM 131 HD2 ARG A 8 35.367 10.852 -5.042 1.00 0.00 H +ATOM 132 HD3 ARG A 8 35.191 10.215 -3.432 1.00 0.00 H +ATOM 133 HE ARG A 8 37.452 10.298 -3.173 1.00 0.00 H +ATOM 134 HH11 ARG A 8 36.967 9.697 -6.673 1.00 0.00 H +ATOM 135 HH12 ARG A 8 38.031 11.046 -7.070 1.00 0.00 H +ATOM 136 HH21 ARG A 8 39.518 11.020 -3.863 1.00 0.00 H +ATOM 137 HH22 ARG A 8 39.918 10.994 -5.555 1.00 0.00 H +ATOM 138 N LEU A 9 33.960 4.502 -3.927 1.00 0.00 N +ATOM 139 CA LEU A 9 34.411 3.149 -3.639 1.00 0.00 C +ATOM 140 C LEU A 9 33.680 2.172 -4.573 1.00 0.00 C +ATOM 141 O LEU A 9 34.178 1.128 -4.971 1.00 0.00 O +ATOM 142 CB LEU A 9 34.040 2.823 -2.197 1.00 0.00 C +ATOM 143 CG LEU A 9 34.785 3.679 -1.154 1.00 0.00 C +ATOM 144 CD1 LEU A 9 33.993 3.690 0.155 1.00 0.00 C +ATOM 145 CD2 LEU A 9 36.204 3.213 -0.903 1.00 0.00 C +ATOM 146 H LEU A 9 33.141 4.794 -3.437 1.00 0.00 H +ATOM 147 HA LEU A 9 35.482 3.118 -3.749 1.00 0.00 H +ATOM 148 HB2 LEU A 9 32.975 3.024 -2.123 1.00 0.00 H +ATOM 149 HB3 LEU A 9 34.161 1.760 -1.983 1.00 0.00 H +ATOM 150 HG LEU A 9 34.904 4.697 -1.520 1.00 0.00 H +ATOM 151 HD11 LEU A 9 34.110 2.763 0.718 1.00 0.00 H +ATOM 152 HD12 LEU A 9 32.932 3.812 -0.025 1.00 0.00 H +ATOM 153 HD13 LEU A 9 34.295 4.522 0.769 1.00 0.00 H +ATOM 154 HD21 LEU A 9 36.835 4.029 -0.550 1.00 0.00 H +ATOM 155 HD22 LEU A 9 36.638 2.789 -1.807 1.00 0.00 H +ATOM 156 HD23 LEU A 9 36.185 2.465 -0.120 1.00 0.00 H +ATOM 157 N LYS A 10 32.452 2.613 -4.879 1.00 0.00 N +ATOM 158 CA LYS A 10 31.580 1.908 -5.803 1.00 0.00 C +ATOM 159 C LYS A 10 32.000 2.199 -7.257 1.00 0.00 C +ATOM 160 O LYS A 10 31.847 1.363 -8.140 1.00 0.00 O +ATOM 161 CB LYS A 10 30.146 2.407 -5.547 1.00 0.00 C +ATOM 162 CG LYS A 10 29.173 1.275 -5.260 1.00 0.00 C +ATOM 163 CD LYS A 10 28.709 0.586 -6.546 1.00 0.00 C +ATOM 164 CE LYS A 10 27.480 1.206 -7.210 1.00 0.00 C +ATOM 165 NZ LYS A 10 27.839 2.031 -8.351 1.00 0.00 N +ATOM 166 H LYS A 10 32.161 3.473 -4.461 1.00 0.00 H +ATOM 167 HA LYS A 10 31.686 0.839 -5.584 1.00 0.00 H +ATOM 168 HB2 LYS A 10 30.159 3.043 -4.672 1.00 0.00 H +ATOM 169 HB3 LYS A 10 29.757 3.053 -6.336 1.00 0.00 H +ATOM 170 HG2 LYS A 10 29.660 0.536 -4.624 1.00 0.00 H +ATOM 171 HG3 LYS A 10 28.342 1.674 -4.676 1.00 0.00 H +ATOM 172 HD2 LYS A 10 29.521 0.549 -7.272 1.00 0.00 H +ATOM 173 HD3 LYS A 10 28.467 -0.444 -6.305 1.00 0.00 H +ATOM 174 HE2 LYS A 10 26.838 0.402 -7.574 1.00 0.00 H +ATOM 175 HE3 LYS A 10 26.889 1.809 -6.521 1.00 0.00 H +ATOM 176 HZ1 LYS A 10 28.248 2.926 -8.012 1.00 0.00 H +ATOM 177 HZ2 LYS A 10 26.995 2.227 -8.928 1.00 0.00 H +ATOM 178 HZ3 LYS A 10 28.545 1.525 -8.922 1.00 0.00 H +ATOM 179 N ALA A 11 32.525 3.432 -7.447 1.00 0.00 N +ATOM 180 CA ALA A 11 32.912 3.932 -8.766 1.00 0.00 C +ATOM 181 C ALA A 11 34.230 3.316 -9.244 1.00 0.00 C +ATOM 182 O ALA A 11 34.499 3.262 -10.439 1.00 0.00 O +ATOM 183 CB ALA A 11 33.049 5.456 -8.716 1.00 0.00 C +ATOM 184 H ALA A 11 32.660 4.044 -6.667 1.00 0.00 H +ATOM 185 HA ALA A 11 32.127 3.646 -9.467 1.00 0.00 H +ATOM 186 HB1 ALA A 11 33.711 5.769 -7.908 1.00 0.00 H +ATOM 187 HB2 ALA A 11 32.072 5.906 -8.552 1.00 0.00 H +ATOM 188 HB3 ALA A 11 33.435 5.869 -9.650 1.00 0.00 H +ATOM 189 N LEU A 12 35.001 2.820 -8.252 1.00 0.00 N +ATOM 190 CA LEU A 12 36.177 1.995 -8.513 1.00 0.00 C +ATOM 191 C LEU A 12 35.808 0.752 -9.371 1.00 0.00 C +ATOM 192 O LEU A 12 36.663 0.190 -10.045 1.00 0.00 O +ATOM 193 CB LEU A 12 36.753 1.547 -7.164 1.00 0.00 C +ATOM 194 CG LEU A 12 37.805 2.467 -6.501 1.00 0.00 C +ATOM 195 CD1 LEU A 12 37.569 2.599 -4.986 1.00 0.00 C +ATOM 196 CD2 LEU A 12 39.213 1.902 -6.688 1.00 0.00 C +ATOM 197 H LEU A 12 34.709 2.934 -7.303 1.00 0.00 H +ATOM 198 HA LEU A 12 36.904 2.598 -9.055 1.00 0.00 H +ATOM 199 HB2 LEU A 12 35.917 1.395 -6.490 1.00 0.00 H +ATOM 200 HB3 LEU A 12 37.204 0.574 -7.301 1.00 0.00 H +ATOM 201 HG LEU A 12 37.765 3.458 -6.962 1.00 0.00 H +ATOM 202 HD11 LEU A 12 38.464 2.466 -4.377 1.00 0.00 H +ATOM 203 HD12 LEU A 12 36.870 1.844 -4.626 1.00 0.00 H +ATOM 204 HD13 LEU A 12 37.203 3.598 -4.763 1.00 0.00 H +ATOM 205 HD21 LEU A 12 39.971 2.608 -6.351 1.00 0.00 H +ATOM 206 HD22 LEU A 12 39.403 1.620 -7.721 1.00 0.00 H +ATOM 207 HD23 LEU A 12 39.334 1.015 -6.077 1.00 0.00 H +ATOM 208 N GLY A 13 34.507 0.383 -9.313 1.00 0.00 N +ATOM 209 CA GLY A 13 33.955 -0.696 -10.134 1.00 0.00 C +ATOM 210 C GLY A 13 33.322 -1.822 -9.297 1.00 0.00 C +ATOM 211 O GLY A 13 32.932 -2.858 -9.829 1.00 0.00 O +ATOM 212 H GLY A 13 33.887 0.927 -8.747 1.00 0.00 H +ATOM 213 HA2 GLY A 13 33.195 -0.244 -10.770 1.00 0.00 H +ATOM 214 HA3 GLY A 13 34.738 -1.105 -10.773 1.00 0.00 H +ATOM 215 N PHE A 14 33.255 -1.573 -7.975 1.00 0.00 N +ATOM 216 CA PHE A 14 32.785 -2.556 -7.015 1.00 0.00 C +ATOM 217 C PHE A 14 31.322 -2.312 -6.669 1.00 0.00 C +ATOM 218 O PHE A 14 30.827 -1.210 -6.909 1.00 0.00 O +ATOM 219 CB PHE A 14 33.616 -2.364 -5.745 1.00 0.00 C +ATOM 220 CG PHE A 14 35.068 -2.673 -5.981 1.00 0.00 C +ATOM 221 CD1 PHE A 14 35.520 -3.989 -6.101 1.00 0.00 C +ATOM 222 CD2 PHE A 14 35.984 -1.640 -6.095 1.00 0.00 C +ATOM 223 CE1 PHE A 14 36.864 -4.266 -6.335 1.00 0.00 C +ATOM 224 CE2 PHE A 14 37.315 -1.915 -6.349 1.00 0.00 C +ATOM 225 CZ PHE A 14 37.767 -3.223 -6.459 1.00 0.00 C +ATOM 226 H PHE A 14 33.623 -0.725 -7.594 1.00 0.00 H +ATOM 227 HA PHE A 14 32.891 -3.548 -7.461 1.00 0.00 H +ATOM 228 HB2 PHE A 14 33.483 -1.358 -5.321 1.00 0.00 H +ATOM 229 HB3 PHE A 14 33.250 -3.056 -5.007 1.00 0.00 H +ATOM 230 HD1 PHE A 14 34.826 -4.811 -6.007 1.00 0.00 H +ATOM 231 HD2 PHE A 14 35.649 -0.621 -5.974 1.00 0.00 H +ATOM 232 HE1 PHE A 14 37.216 -5.285 -6.423 1.00 0.00 H +ATOM 233 HE2 PHE A 14 38.002 -1.096 -6.465 1.00 0.00 H +ATOM 234 HZ PHE A 14 38.818 -3.428 -6.622 1.00 0.00 H +ATOM 235 N PRO A 15 30.643 -3.331 -6.079 1.00 0.00 N +ATOM 236 CA PRO A 15 29.280 -3.197 -5.559 1.00 0.00 C +ATOM 237 C PRO A 15 29.223 -2.498 -4.193 1.00 0.00 C +ATOM 238 O PRO A 15 30.075 -2.732 -3.349 1.00 0.00 O +ATOM 239 CB PRO A 15 28.799 -4.640 -5.397 1.00 0.00 C +ATOM 240 CG PRO A 15 30.073 -5.447 -5.157 1.00 0.00 C +ATOM 241 CD PRO A 15 31.169 -4.694 -5.919 1.00 0.00 C +ATOM 242 HA PRO A 15 28.667 -2.644 -6.269 1.00 0.00 H +ATOM 243 HB2 PRO A 15 28.040 -4.788 -4.619 1.00 0.00 H +ATOM 244 HB3 PRO A 15 28.385 -4.942 -6.354 1.00 0.00 H +ATOM 245 HG2 PRO A 15 30.250 -5.438 -4.082 1.00 0.00 H +ATOM 246 HG3 PRO A 15 29.999 -6.486 -5.482 1.00 0.00 H +ATOM 247 HD2 PRO A 15 32.109 -4.719 -5.371 1.00 0.00 H +ATOM 248 HD3 PRO A 15 31.319 -5.122 -6.912 1.00 0.00 H +ATOM 249 N GLU A 16 28.183 -1.647 -4.018 1.00 0.00 N +ATOM 250 CA GLU A 16 27.980 -0.861 -2.793 1.00 0.00 C +ATOM 251 C GLU A 16 27.998 -1.709 -1.495 1.00 0.00 C +ATOM 252 O GLU A 16 28.177 -1.196 -0.397 1.00 0.00 O +ATOM 253 CB GLU A 16 26.667 -0.054 -2.812 1.00 0.00 C +ATOM 254 CG GLU A 16 25.987 0.148 -4.175 1.00 0.00 C +ATOM 255 CD GLU A 16 25.115 -1.036 -4.628 1.00 0.00 C +ATOM 256 OE1 GLU A 16 25.101 -2.079 -3.975 1.00 0.00 O +ATOM 257 OE2 GLU A 16 24.455 -0.891 -5.658 1.00 0.00 O +ATOM 258 H GLU A 16 27.535 -1.512 -4.768 1.00 0.00 H +ATOM 259 HA GLU A 16 28.798 -0.147 -2.776 1.00 0.00 H +ATOM 260 HB2 GLU A 16 25.928 -0.509 -2.150 1.00 0.00 H +ATOM 261 HB3 GLU A 16 26.891 0.933 -2.399 1.00 0.00 H +ATOM 262 HG2 GLU A 16 25.369 1.043 -4.116 1.00 0.00 H +ATOM 263 HG3 GLU A 16 26.701 0.321 -4.966 1.00 0.00 H +ATOM 264 N SER A 17 27.767 -3.018 -1.694 1.00 0.00 N +ATOM 265 CA SER A 17 27.639 -3.964 -0.599 1.00 0.00 C +ATOM 266 C SER A 17 28.991 -4.238 0.074 1.00 0.00 C +ATOM 267 O SER A 17 29.066 -4.351 1.294 1.00 0.00 O +ATOM 268 CB SER A 17 27.050 -5.262 -1.177 1.00 0.00 C +ATOM 269 OG SER A 17 26.343 -6.020 -0.212 1.00 0.00 O +ATOM 270 H SER A 17 27.632 -3.339 -2.630 1.00 0.00 H +ATOM 271 HA SER A 17 26.979 -3.493 0.136 1.00 0.00 H +ATOM 272 HB2 SER A 17 26.421 -5.053 -2.049 1.00 0.00 H +ATOM 273 HB3 SER A 17 27.831 -5.913 -1.568 1.00 0.00 H +ATOM 274 HG SER A 17 25.602 -5.522 0.116 1.00 0.00 H +ATOM 275 N LEU A 18 30.048 -4.316 -0.770 1.00 0.00 N +ATOM 276 CA LEU A 18 31.388 -4.439 -0.207 1.00 0.00 C +ATOM 277 C LEU A 18 31.890 -3.092 0.328 1.00 0.00 C +ATOM 278 O LEU A 18 32.738 -3.050 1.201 1.00 0.00 O +ATOM 279 CB LEU A 18 32.392 -5.093 -1.176 1.00 0.00 C +ATOM 280 CG LEU A 18 32.710 -4.416 -2.521 1.00 0.00 C +ATOM 281 CD1 LEU A 18 33.085 -2.958 -2.368 1.00 0.00 C +ATOM 282 CD2 LEU A 18 33.849 -5.175 -3.224 1.00 0.00 C +ATOM 283 H LEU A 18 29.942 -4.152 -1.751 1.00 0.00 H +ATOM 284 HA LEU A 18 31.310 -5.093 0.662 1.00 0.00 H +ATOM 285 HB2 LEU A 18 33.329 -5.201 -0.633 1.00 0.00 H +ATOM 286 HB3 LEU A 18 32.057 -6.106 -1.387 1.00 0.00 H +ATOM 287 HG LEU A 18 31.825 -4.405 -3.151 1.00 0.00 H +ATOM 288 HD11 LEU A 18 33.608 -2.808 -1.427 1.00 0.00 H +ATOM 289 HD12 LEU A 18 32.194 -2.354 -2.450 1.00 0.00 H +ATOM 290 HD13 LEU A 18 33.721 -2.589 -3.155 1.00 0.00 H +ATOM 291 HD21 LEU A 18 34.510 -4.477 -3.727 1.00 0.00 H +ATOM 292 HD22 LEU A 18 33.453 -5.877 -3.959 1.00 0.00 H +ATOM 293 HD23 LEU A 18 34.501 -5.714 -2.533 1.00 0.00 H +ATOM 294 N VAL A 19 31.331 -2.018 -0.276 1.00 0.00 N +ATOM 295 CA VAL A 19 31.839 -0.668 -0.088 1.00 0.00 C +ATOM 296 C VAL A 19 31.629 -0.251 1.363 1.00 0.00 C +ATOM 297 O VAL A 19 32.538 0.197 2.050 1.00 0.00 O +ATOM 298 CB VAL A 19 31.108 0.307 -1.028 1.00 0.00 C +ATOM 299 CG1 VAL A 19 31.362 1.734 -0.605 1.00 0.00 C +ATOM 300 CG2 VAL A 19 31.528 0.192 -2.504 1.00 0.00 C +ATOM 301 H VAL A 19 30.605 -2.172 -0.942 1.00 0.00 H +ATOM 302 HA VAL A 19 32.906 -0.685 -0.300 1.00 0.00 H +ATOM 303 HB VAL A 19 30.039 0.132 -0.942 1.00 0.00 H +ATOM 304 HG11 VAL A 19 32.429 1.826 -0.444 1.00 0.00 H +ATOM 305 HG12 VAL A 19 30.858 2.013 0.317 1.00 0.00 H +ATOM 306 HG13 VAL A 19 31.035 2.399 -1.397 1.00 0.00 H +ATOM 307 HG21 VAL A 19 32.606 0.094 -2.653 1.00 0.00 H +ATOM 308 HG22 VAL A 19 31.203 1.066 -3.068 1.00 0.00 H +ATOM 309 HG23 VAL A 19 31.029 -0.644 -2.968 1.00 0.00 H +ATOM 310 N ILE A 20 30.359 -0.442 1.752 1.00 0.00 N +ATOM 311 CA ILE A 20 29.900 -0.148 3.089 1.00 0.00 C +ATOM 312 C ILE A 20 30.800 -0.797 4.144 1.00 0.00 C +ATOM 313 O ILE A 20 31.301 -0.133 5.041 1.00 0.00 O +ATOM 314 CB ILE A 20 28.405 -0.544 3.180 1.00 0.00 C +ATOM 315 CG1 ILE A 20 27.576 0.614 3.727 1.00 0.00 C +ATOM 316 CG2 ILE A 20 28.091 -1.832 3.951 1.00 0.00 C +ATOM 317 CD1 ILE A 20 27.901 0.961 5.178 1.00 0.00 C +ATOM 318 H ILE A 20 29.670 -0.784 1.112 1.00 0.00 H +ATOM 319 HA ILE A 20 30.027 0.927 3.194 1.00 0.00 H +ATOM 320 HB ILE A 20 28.042 -0.723 2.166 1.00 0.00 H +ATOM 321 HG12 ILE A 20 27.735 1.490 3.106 1.00 0.00 H +ATOM 322 HG13 ILE A 20 26.519 0.379 3.634 1.00 0.00 H +ATOM 323 HG21 ILE A 20 28.510 -2.694 3.432 1.00 0.00 H +ATOM 324 HG22 ILE A 20 27.015 -1.968 4.034 1.00 0.00 H +ATOM 325 HG23 ILE A 20 28.475 -1.807 4.972 1.00 0.00 H +ATOM 326 HD11 ILE A 20 28.966 1.141 5.325 1.00 0.00 H +ATOM 327 HD12 ILE A 20 27.597 0.165 5.856 1.00 0.00 H +ATOM 328 HD13 ILE A 20 27.367 1.866 5.455 1.00 0.00 H +ATOM 329 N GLN A 21 30.971 -2.119 3.957 1.00 0.00 N +ATOM 330 CA GLN A 21 31.654 -2.918 4.958 1.00 0.00 C +ATOM 331 C GLN A 21 33.179 -2.920 4.755 1.00 0.00 C +ATOM 332 O GLN A 21 33.905 -3.490 5.550 1.00 0.00 O +ATOM 333 CB GLN A 21 31.084 -4.351 4.934 1.00 0.00 C +ATOM 334 CG GLN A 21 31.298 -5.124 6.241 1.00 0.00 C +ATOM 335 CD GLN A 21 30.742 -4.353 7.449 1.00 0.00 C +ATOM 336 OE1 GLN A 21 29.605 -3.888 7.457 1.00 0.00 O +ATOM 337 NE2 GLN A 21 31.622 -4.216 8.453 1.00 0.00 N +ATOM 338 H GLN A 21 30.508 -2.551 3.183 1.00 0.00 H +ATOM 339 HA GLN A 21 31.440 -2.428 5.910 1.00 0.00 H +ATOM 340 HB2 GLN A 21 30.012 -4.322 4.741 1.00 0.00 H +ATOM 341 HB3 GLN A 21 31.511 -4.917 4.105 1.00 0.00 H +ATOM 342 HG2 GLN A 21 30.807 -6.095 6.194 1.00 0.00 H +ATOM 343 HG3 GLN A 21 32.359 -5.320 6.382 1.00 0.00 H +ATOM 344 HE21 GLN A 21 32.526 -4.655 8.413 1.00 0.00 H +ATOM 345 HE22 GLN A 21 31.377 -3.676 9.250 1.00 0.00 H +ATOM 346 N ALA A 22 33.613 -2.248 3.666 1.00 0.00 N +ATOM 347 CA ALA A 22 35.037 -2.039 3.420 1.00 0.00 C +ATOM 348 C ALA A 22 35.475 -0.659 3.906 1.00 0.00 C +ATOM 349 O ALA A 22 36.661 -0.421 4.085 1.00 0.00 O +ATOM 350 CB ALA A 22 35.365 -2.128 1.928 1.00 0.00 C +ATOM 351 H ALA A 22 32.954 -1.822 3.048 1.00 0.00 H +ATOM 352 HA ALA A 22 35.593 -2.793 3.975 1.00 0.00 H +ATOM 353 HB1 ALA A 22 36.418 -1.912 1.743 1.00 0.00 H +ATOM 354 HB2 ALA A 22 34.777 -1.410 1.353 1.00 0.00 H +ATOM 355 HB3 ALA A 22 35.187 -3.134 1.550 1.00 0.00 H +ATOM 356 N TYR A 23 34.484 0.233 4.097 1.00 0.00 N +ATOM 357 CA TYR A 23 34.799 1.562 4.611 1.00 0.00 C +ATOM 358 C TYR A 23 34.755 1.511 6.134 1.00 0.00 C +ATOM 359 O TYR A 23 35.741 1.768 6.806 1.00 0.00 O +ATOM 360 CB TYR A 23 33.813 2.607 4.040 1.00 0.00 C +ATOM 361 CG TYR A 23 34.495 3.914 3.737 1.00 0.00 C +ATOM 362 CD1 TYR A 23 35.531 3.921 2.817 1.00 0.00 C +ATOM 363 CD2 TYR A 23 34.137 5.110 4.354 1.00 0.00 C +ATOM 364 CE1 TYR A 23 36.238 5.076 2.537 1.00 0.00 C +ATOM 365 CE2 TYR A 23 34.852 6.276 4.081 1.00 0.00 C +ATOM 366 CZ TYR A 23 35.915 6.254 3.192 1.00 0.00 C +ATOM 367 OH TYR A 23 36.657 7.398 2.978 1.00 0.00 O +ATOM 368 H TYR A 23 33.541 -0.018 3.875 1.00 0.00 H +ATOM 369 HA TYR A 23 35.832 1.783 4.329 1.00 0.00 H +ATOM 370 HB2 TYR A 23 33.398 2.230 3.107 1.00 0.00 H +ATOM 371 HB3 TYR A 23 32.959 2.779 4.694 1.00 0.00 H +ATOM 372 HD1 TYR A 23 35.754 2.999 2.299 1.00 0.00 H +ATOM 373 HD2 TYR A 23 33.323 5.134 5.069 1.00 0.00 H +ATOM 374 HE1 TYR A 23 37.041 5.045 1.814 1.00 0.00 H +ATOM 375 HE2 TYR A 23 34.606 7.204 4.575 1.00 0.00 H +ATOM 376 HH TYR A 23 36.282 7.886 2.262 1.00 0.00 H +ATOM 377 N PHE A 24 33.553 1.127 6.607 1.00 0.00 N +ATOM 378 CA PHE A 24 33.232 0.986 8.024 1.00 0.00 C +ATOM 379 C PHE A 24 34.165 -0.016 8.746 1.00 0.00 C +ATOM 380 O PHE A 24 34.486 0.179 9.914 1.00 0.00 O +ATOM 381 CB PHE A 24 31.766 0.526 8.161 1.00 0.00 C +ATOM 382 CG PHE A 24 30.762 1.654 8.143 1.00 0.00 C +ATOM 383 CD1 PHE A 24 30.695 2.566 7.089 1.00 0.00 C +ATOM 384 CD2 PHE A 24 29.866 1.792 9.198 1.00 0.00 C +ATOM 385 CE1 PHE A 24 29.762 3.593 7.102 1.00 0.00 C +ATOM 386 CE2 PHE A 24 28.933 2.818 9.217 1.00 0.00 C +ATOM 387 CZ PHE A 24 28.881 3.721 8.167 1.00 0.00 C +ATOM 388 H PHE A 24 32.830 0.959 5.940 1.00 0.00 H +ATOM 389 HA PHE A 24 33.369 1.970 8.474 1.00 0.00 H +ATOM 390 HB2 PHE A 24 31.517 -0.180 7.374 1.00 0.00 H +ATOM 391 HB3 PHE A 24 31.626 -0.042 9.081 1.00 0.00 H +ATOM 392 HD1 PHE A 24 31.359 2.477 6.244 1.00 0.00 H +ATOM 393 HD2 PHE A 24 29.889 1.086 10.014 1.00 0.00 H +ATOM 394 HE1 PHE A 24 29.716 4.296 6.283 1.00 0.00 H +ATOM 395 HE2 PHE A 24 28.248 2.911 10.047 1.00 0.00 H +ATOM 396 HZ PHE A 24 28.157 4.522 8.182 1.00 0.00 H +ATOM 397 N ALA A 25 34.589 -1.078 8.021 1.00 0.00 N +ATOM 398 CA ALA A 25 35.521 -2.037 8.621 1.00 0.00 C +ATOM 399 C ALA A 25 36.933 -1.445 8.728 1.00 0.00 C +ATOM 400 O ALA A 25 37.660 -1.731 9.673 1.00 0.00 O +ATOM 401 CB ALA A 25 35.581 -3.328 7.805 1.00 0.00 C +ATOM 402 H ALA A 25 34.306 -1.193 7.068 1.00 0.00 H +ATOM 403 HA ALA A 25 35.164 -2.267 9.628 1.00 0.00 H +ATOM 404 HB1 ALA A 25 35.905 -3.140 6.779 1.00 0.00 H +ATOM 405 HB2 ALA A 25 34.610 -3.821 7.805 1.00 0.00 H +ATOM 406 HB3 ALA A 25 36.282 -4.039 8.238 1.00 0.00 H +ATOM 407 N CYS A 26 37.271 -0.608 7.727 1.00 0.00 N +ATOM 408 CA CYS A 26 38.581 0.037 7.717 1.00 0.00 C +ATOM 409 C CYS A 26 38.572 1.374 8.481 1.00 0.00 C +ATOM 410 O CYS A 26 39.489 2.163 8.311 1.00 0.00 O +ATOM 411 CB CYS A 26 39.032 0.275 6.266 1.00 0.00 C +ATOM 412 SG CYS A 26 40.615 -0.527 5.910 1.00 0.00 S +ATOM 413 H CYS A 26 36.612 -0.441 6.991 1.00 0.00 H +ATOM 414 HA CYS A 26 39.282 -0.643 8.209 1.00 0.00 H +ATOM 415 HB2 CYS A 26 38.315 -0.193 5.609 1.00 0.00 H +ATOM 416 HB3 CYS A 26 39.037 1.337 5.982 1.00 0.00 H +ATOM 417 HG CYS A 26 40.393 -1.674 5.265 1.00 0.00 H +ATOM 418 N GLU A 27 37.509 1.607 9.294 1.00 0.00 N +ATOM 419 CA GLU A 27 37.318 2.883 9.994 1.00 0.00 C +ATOM 420 C GLU A 27 37.168 4.030 8.975 1.00 0.00 C +ATOM 421 O GLU A 27 38.018 4.900 8.852 1.00 0.00 O +ATOM 422 CB GLU A 27 38.436 3.121 11.040 1.00 0.00 C +ATOM 423 CG GLU A 27 38.522 4.568 11.573 1.00 0.00 C +ATOM 424 CD GLU A 27 39.290 4.679 12.896 1.00 0.00 C +ATOM 425 OE1 GLU A 27 38.884 4.047 13.867 1.00 0.00 O +ATOM 426 OE2 GLU A 27 40.285 5.408 12.944 1.00 0.00 O +ATOM 427 H GLU A 27 36.793 0.914 9.369 1.00 0.00 H +ATOM 428 HA GLU A 27 36.359 2.791 10.513 1.00 0.00 H +ATOM 429 HB2 GLU A 27 38.256 2.427 11.862 1.00 0.00 H +ATOM 430 HB3 GLU A 27 39.413 2.852 10.640 1.00 0.00 H +ATOM 431 HG2 GLU A 27 39.035 5.214 10.861 1.00 0.00 H +ATOM 432 HG3 GLU A 27 37.518 4.966 11.717 1.00 0.00 H +ATOM 433 N LYS A 28 36.021 3.974 8.278 1.00 0.00 N +ATOM 434 CA LYS A 28 35.558 4.956 7.297 1.00 0.00 C +ATOM 435 C LYS A 28 36.703 5.761 6.597 1.00 0.00 C +ATOM 436 O LYS A 28 36.665 6.981 6.494 1.00 0.00 O +ATOM 437 CB LYS A 28 34.500 5.894 7.929 1.00 0.00 C +ATOM 438 CG LYS A 28 33.718 5.282 9.103 1.00 0.00 C +ATOM 439 CD LYS A 28 34.456 5.397 10.444 1.00 0.00 C +ATOM 440 CE LYS A 28 34.106 6.640 11.271 1.00 0.00 C +ATOM 441 NZ LYS A 28 33.757 6.284 12.643 1.00 0.00 N +ATOM 442 H LYS A 28 35.419 3.195 8.467 1.00 0.00 H +ATOM 443 HA LYS A 28 35.076 4.302 6.574 1.00 0.00 H +ATOM 444 HB2 LYS A 28 34.929 6.841 8.258 1.00 0.00 H +ATOM 445 HB3 LYS A 28 33.785 6.166 7.156 1.00 0.00 H +ATOM 446 HG2 LYS A 28 32.769 5.796 9.200 1.00 0.00 H +ATOM 447 HG3 LYS A 28 33.459 4.240 8.900 1.00 0.00 H +ATOM 448 HD2 LYS A 28 34.240 4.491 11.013 1.00 0.00 H +ATOM 449 HD3 LYS A 28 35.530 5.433 10.284 1.00 0.00 H +ATOM 450 HE2 LYS A 28 34.958 7.322 11.297 1.00 0.00 H +ATOM 451 HE3 LYS A 28 33.273 7.203 10.849 1.00 0.00 H +ATOM 452 HZ1 LYS A 28 34.516 5.708 13.063 1.00 0.00 H +ATOM 453 HZ2 LYS A 28 32.880 5.727 12.636 1.00 0.00 H +ATOM 454 HZ3 LYS A 28 33.614 7.143 13.213 1.00 0.00 H +ATOM 455 N ASN A 29 37.737 4.997 6.176 1.00 0.00 N +ATOM 456 CA ASN A 29 38.997 5.617 5.757 1.00 0.00 C +ATOM 457 C ASN A 29 39.109 5.509 4.247 1.00 0.00 C +ATOM 458 O ASN A 29 38.762 4.496 3.680 1.00 0.00 O +ATOM 459 CB ASN A 29 40.186 4.867 6.401 1.00 0.00 C +ATOM 460 CG ASN A 29 40.981 5.772 7.348 1.00 0.00 C +ATOM 461 OD1 ASN A 29 41.697 6.673 6.919 1.00 0.00 O +ATOM 462 ND2 ASN A 29 40.794 5.496 8.650 1.00 0.00 N +ATOM 463 H ASN A 29 37.688 4.010 6.320 1.00 0.00 H +ATOM 464 HA ASN A 29 38.958 6.673 6.034 1.00 0.00 H +ATOM 465 HB2 ASN A 29 39.841 3.976 6.920 1.00 0.00 H +ATOM 466 HB3 ASN A 29 40.899 4.495 5.668 1.00 0.00 H +ATOM 467 HD21 ASN A 29 40.279 4.682 8.936 1.00 0.00 H +ATOM 468 HD22 ASN A 29 41.148 6.094 9.365 1.00 0.00 H +ATOM 469 N GLU A 30 39.622 6.599 3.635 1.00 0.00 N +ATOM 470 CA GLU A 30 39.728 6.623 2.180 1.00 0.00 C +ATOM 471 C GLU A 30 40.820 5.663 1.691 1.00 0.00 C +ATOM 472 O GLU A 30 40.564 4.763 0.898 1.00 0.00 O +ATOM 473 CB GLU A 30 39.993 8.056 1.681 1.00 0.00 C +ATOM 474 CG GLU A 30 38.785 8.641 0.939 1.00 0.00 C +ATOM 475 CD GLU A 30 39.122 9.673 -0.147 1.00 0.00 C +ATOM 476 OE1 GLU A 30 40.237 9.676 -0.670 1.00 0.00 O +ATOM 477 OE2 GLU A 30 38.240 10.467 -0.464 1.00 0.00 O +ATOM 478 H GLU A 30 39.975 7.360 4.179 1.00 0.00 H +ATOM 479 HA GLU A 30 38.788 6.259 1.770 1.00 0.00 H +ATOM 480 HB2 GLU A 30 40.265 8.714 2.507 1.00 0.00 H +ATOM 481 HB3 GLU A 30 40.844 8.049 1.005 1.00 0.00 H +ATOM 482 HG2 GLU A 30 38.204 7.852 0.464 1.00 0.00 H +ATOM 483 HG3 GLU A 30 38.142 9.143 1.654 1.00 0.00 H +ATOM 484 N ASN A 31 42.037 5.922 2.195 1.00 0.00 N +ATOM 485 CA ASN A 31 43.222 5.192 1.760 1.00 0.00 C +ATOM 486 C ASN A 31 43.141 3.708 2.149 1.00 0.00 C +ATOM 487 O ASN A 31 43.414 2.821 1.347 1.00 0.00 O +ATOM 488 CB ASN A 31 44.455 5.841 2.420 1.00 0.00 C +ATOM 489 CG ASN A 31 45.287 6.590 1.381 1.00 0.00 C +ATOM 490 OD1 ASN A 31 44.883 7.621 0.848 1.00 0.00 O +ATOM 491 ND2 ASN A 31 46.450 5.983 1.099 1.00 0.00 N +ATOM 492 H ASN A 31 42.116 6.647 2.881 1.00 0.00 H +ATOM 493 HA ASN A 31 43.242 5.254 0.667 1.00 0.00 H +ATOM 494 HB2 ASN A 31 44.161 6.556 3.188 1.00 0.00 H +ATOM 495 HB3 ASN A 31 45.085 5.111 2.934 1.00 0.00 H +ATOM 496 HD21 ASN A 31 46.744 5.172 1.615 1.00 0.00 H +ATOM 497 HD22 ASN A 31 47.028 6.322 0.364 1.00 0.00 H +ATOM 498 N LEU A 32 42.754 3.508 3.422 1.00 0.00 N +ATOM 499 CA LEU A 32 42.676 2.165 3.983 1.00 0.00 C +ATOM 500 C LEU A 32 41.560 1.335 3.321 1.00 0.00 C +ATOM 501 O LEU A 32 41.674 0.121 3.191 1.00 0.00 O +ATOM 502 CB LEU A 32 42.441 2.270 5.499 1.00 0.00 C +ATOM 503 CG LEU A 32 43.181 1.176 6.284 1.00 0.00 C +ATOM 504 CD1 LEU A 32 44.681 1.471 6.344 1.00 0.00 C +ATOM 505 CD2 LEU A 32 42.613 1.014 7.697 1.00 0.00 C +ATOM 506 H LEU A 32 42.562 4.304 3.999 1.00 0.00 H +ATOM 507 HA LEU A 32 43.634 1.689 3.761 1.00 0.00 H +ATOM 508 HB2 LEU A 32 42.760 3.245 5.866 1.00 0.00 H +ATOM 509 HB3 LEU A 32 41.372 2.245 5.717 1.00 0.00 H +ATOM 510 HG LEU A 32 43.053 0.226 5.763 1.00 0.00 H +ATOM 511 HD11 LEU A 32 45.207 0.712 6.922 1.00 0.00 H +ATOM 512 HD12 LEU A 32 44.867 2.436 6.814 1.00 0.00 H +ATOM 513 HD13 LEU A 32 45.114 1.501 5.346 1.00 0.00 H +ATOM 514 HD21 LEU A 32 42.807 0.004 8.057 1.00 0.00 H +ATOM 515 HD22 LEU A 32 41.537 1.155 7.701 1.00 0.00 H +ATOM 516 HD23 LEU A 32 43.034 1.731 8.403 1.00 0.00 H +ATOM 517 N ALA A 33 40.498 2.060 2.906 1.00 0.00 N +ATOM 518 CA ALA A 33 39.396 1.418 2.201 1.00 0.00 C +ATOM 519 C ALA A 33 39.785 1.015 0.788 1.00 0.00 C +ATOM 520 O ALA A 33 39.388 -0.045 0.342 1.00 0.00 O +ATOM 521 CB ALA A 33 38.198 2.334 2.108 1.00 0.00 C +ATOM 522 H ALA A 33 40.485 3.054 3.032 1.00 0.00 H +ATOM 523 HA ALA A 33 39.122 0.515 2.749 1.00 0.00 H +ATOM 524 HB1 ALA A 33 38.456 3.288 1.641 1.00 0.00 H +ATOM 525 HB2 ALA A 33 37.790 2.476 3.107 1.00 0.00 H +ATOM 526 HB3 ALA A 33 37.412 1.878 1.513 1.00 0.00 H +ATOM 527 N ALA A 34 40.597 1.867 0.127 1.00 0.00 N +ATOM 528 CA ALA A 34 41.151 1.514 -1.185 1.00 0.00 C +ATOM 529 C ALA A 34 42.288 0.469 -1.073 1.00 0.00 C +ATOM 530 O ALA A 34 42.978 0.167 -2.039 1.00 0.00 O +ATOM 531 CB ALA A 34 41.664 2.784 -1.868 1.00 0.00 C +ATOM 532 H ALA A 34 40.879 2.711 0.584 1.00 0.00 H +ATOM 533 HA ALA A 34 40.342 1.085 -1.782 1.00 0.00 H +ATOM 534 HB1 ALA A 34 42.519 3.220 -1.350 1.00 0.00 H +ATOM 535 HB2 ALA A 34 40.877 3.537 -1.891 1.00 0.00 H +ATOM 536 HB3 ALA A 34 41.957 2.581 -2.899 1.00 0.00 H +ATOM 537 N ASN A 35 42.424 -0.067 0.152 1.00 0.00 N +ATOM 538 CA ASN A 35 43.302 -1.182 0.442 1.00 0.00 C +ATOM 539 C ASN A 35 42.451 -2.402 0.849 1.00 0.00 C +ATOM 540 O ASN A 35 42.817 -3.540 0.595 1.00 0.00 O +ATOM 541 CB ASN A 35 44.251 -0.760 1.579 1.00 0.00 C +ATOM 542 CG ASN A 35 45.691 -0.963 1.106 1.00 0.00 C +ATOM 543 OD1 ASN A 35 46.115 -2.081 0.819 1.00 0.00 O +ATOM 544 ND2 ASN A 35 46.346 0.186 0.892 1.00 0.00 N +ATOM 545 H ASN A 35 41.875 0.287 0.905 1.00 0.00 H +ATOM 546 HA ASN A 35 43.836 -1.426 -0.483 1.00 0.00 H +ATOM 547 HB2 ASN A 35 44.082 0.282 1.864 1.00 0.00 H +ATOM 548 HB3 ASN A 35 44.097 -1.332 2.491 1.00 0.00 H +ATOM 549 HD21 ASN A 35 46.105 1.012 1.416 1.00 0.00 H +ATOM 550 HD22 ASN A 35 47.056 0.223 0.183 1.00 0.00 H +ATOM 551 N PHE A 36 41.291 -2.121 1.476 1.00 0.00 N +ATOM 552 CA PHE A 36 40.377 -3.220 1.808 1.00 0.00 C +ATOM 553 C PHE A 36 39.580 -3.650 0.541 1.00 0.00 C +ATOM 554 O PHE A 36 39.039 -4.741 0.429 1.00 0.00 O +ATOM 555 CB PHE A 36 39.433 -2.791 2.946 1.00 0.00 C +ATOM 556 CG PHE A 36 38.878 -3.973 3.704 1.00 0.00 C +ATOM 557 CD1 PHE A 36 37.867 -4.761 3.163 1.00 0.00 C +ATOM 558 CD2 PHE A 36 39.381 -4.298 4.961 1.00 0.00 C +ATOM 559 CE1 PHE A 36 37.378 -5.864 3.849 1.00 0.00 C +ATOM 560 CE2 PHE A 36 38.890 -5.395 5.655 1.00 0.00 C +ATOM 561 CZ PHE A 36 37.888 -6.182 5.098 1.00 0.00 C +ATOM 562 H PHE A 36 41.051 -1.169 1.667 1.00 0.00 H +ATOM 563 HA PHE A 36 41.013 -4.027 2.178 1.00 0.00 H +ATOM 564 HB2 PHE A 36 39.983 -2.166 3.644 1.00 0.00 H +ATOM 565 HB3 PHE A 36 38.616 -2.161 2.601 1.00 0.00 H +ATOM 566 HD1 PHE A 36 37.447 -4.522 2.198 1.00 0.00 H +ATOM 567 HD2 PHE A 36 40.158 -3.692 5.405 1.00 0.00 H +ATOM 568 HE1 PHE A 36 36.603 -6.473 3.405 1.00 0.00 H +ATOM 569 HE2 PHE A 36 39.286 -5.637 6.629 1.00 0.00 H +ATOM 570 HZ PHE A 36 37.508 -7.036 5.637 1.00 0.00 H +ATOM 571 N LEU A 37 39.533 -2.712 -0.410 1.00 0.00 N +ATOM 572 CA LEU A 37 38.769 -2.928 -1.626 1.00 0.00 C +ATOM 573 C LEU A 37 39.655 -3.528 -2.715 1.00 0.00 C +ATOM 574 O LEU A 37 39.199 -4.343 -3.512 1.00 0.00 O +ATOM 575 CB LEU A 37 38.189 -1.569 -2.027 1.00 0.00 C +ATOM 576 CG LEU A 37 36.873 -1.301 -1.281 1.00 0.00 C +ATOM 577 CD1 LEU A 37 36.754 0.082 -0.662 1.00 0.00 C +ATOM 578 CD2 LEU A 37 35.718 -1.539 -2.231 1.00 0.00 C +ATOM 579 H LEU A 37 40.009 -1.840 -0.302 1.00 0.00 H +ATOM 580 HA LEU A 37 37.963 -3.640 -1.435 1.00 0.00 H +ATOM 581 HB2 LEU A 37 38.917 -0.778 -1.864 1.00 0.00 H +ATOM 582 HB3 LEU A 37 37.999 -1.525 -3.097 1.00 0.00 H +ATOM 583 HG LEU A 37 36.767 -2.002 -0.449 1.00 0.00 H +ATOM 584 HD11 LEU A 37 36.993 0.019 0.396 1.00 0.00 H +ATOM 585 HD12 LEU A 37 35.726 0.442 -0.714 1.00 0.00 H +ATOM 586 HD13 LEU A 37 37.416 0.800 -1.144 1.00 0.00 H +ATOM 587 HD21 LEU A 37 35.809 -1.048 -3.201 1.00 0.00 H +ATOM 588 HD22 LEU A 37 34.802 -1.162 -1.785 1.00 0.00 H +ATOM 589 HD23 LEU A 37 35.656 -2.614 -2.396 1.00 0.00 H +ATOM 590 N LEU A 38 40.919 -3.062 -2.721 1.00 0.00 N +ATOM 591 CA LEU A 38 41.817 -3.341 -3.841 1.00 0.00 C +ATOM 592 C LEU A 38 42.950 -4.289 -3.423 1.00 0.00 C +ATOM 593 O LEU A 38 43.715 -4.739 -4.269 1.00 0.00 O +ATOM 594 CB LEU A 38 42.374 -2.027 -4.415 1.00 0.00 C +ATOM 595 CG LEU A 38 41.364 -0.867 -4.432 1.00 0.00 C +ATOM 596 CD1 LEU A 38 41.953 0.365 -5.112 1.00 0.00 C +ATOM 597 CD2 LEU A 38 40.059 -1.231 -5.106 1.00 0.00 C +ATOM 598 H LEU A 38 41.236 -2.452 -1.996 1.00 0.00 H +ATOM 599 HA LEU A 38 41.253 -3.827 -4.636 1.00 0.00 H +ATOM 600 HB2 LEU A 38 43.220 -1.705 -3.816 1.00 0.00 H +ATOM 601 HB3 LEU A 38 42.779 -2.202 -5.414 1.00 0.00 H +ATOM 602 HG LEU A 38 41.118 -0.604 -3.403 1.00 0.00 H +ATOM 603 HD11 LEU A 38 42.964 0.546 -4.756 1.00 0.00 H +ATOM 604 HD12 LEU A 38 41.341 1.234 -4.885 1.00 0.00 H +ATOM 605 HD13 LEU A 38 41.989 0.254 -6.198 1.00 0.00 H +ATOM 606 HD21 LEU A 38 40.139 -1.109 -6.188 1.00 0.00 H +ATOM 607 HD22 LEU A 38 39.252 -0.618 -4.696 1.00 0.00 H +ATOM 608 HD23 LEU A 38 39.794 -2.263 -4.929 1.00 0.00 H +ATOM 609 N SER A 39 43.021 -4.562 -2.099 1.00 0.00 N +ATOM 610 CA SER A 39 44.079 -5.420 -1.553 1.00 0.00 C +ATOM 611 C SER A 39 43.493 -6.606 -0.756 1.00 0.00 C +ATOM 612 O SER A 39 44.221 -7.527 -0.402 1.00 0.00 O +ATOM 613 CB SER A 39 45.067 -4.589 -0.707 1.00 0.00 C +ATOM 614 OG SER A 39 46.404 -5.023 -0.922 1.00 0.00 O +ATOM 615 H SER A 39 42.379 -4.128 -1.468 1.00 0.00 H +ATOM 616 HA SER A 39 44.622 -5.843 -2.395 1.00 0.00 H +ATOM 617 HB2 SER A 39 44.976 -3.535 -0.990 1.00 0.00 H +ATOM 618 HB3 SER A 39 44.834 -4.671 0.359 1.00 0.00 H +ATOM 619 HG SER A 39 47.024 -4.485 -0.434 1.00 0.00 H +ATOM 620 N GLN A 40 42.163 -6.543 -0.505 1.00 0.00 N +ATOM 621 CA GLN A 40 41.476 -7.611 0.232 1.00 0.00 C +ATOM 622 C GLN A 40 40.622 -8.466 -0.721 1.00 0.00 C +ATOM 623 O GLN A 40 39.606 -9.027 -0.323 1.00 0.00 O +ATOM 624 CB GLN A 40 40.593 -6.994 1.330 1.00 0.00 C +ATOM 625 CG GLN A 40 40.469 -7.800 2.626 1.00 0.00 C +ATOM 626 CD GLN A 40 41.815 -8.152 3.279 1.00 0.00 C +ATOM 627 OE1 GLN A 40 42.220 -9.310 3.322 1.00 0.00 O +ATOM 628 NE2 GLN A 40 42.429 -7.109 3.862 1.00 0.00 N +ATOM 629 H GLN A 40 41.637 -5.753 -0.820 1.00 0.00 H +ATOM 630 HA GLN A 40 42.239 -8.247 0.681 1.00 0.00 H +ATOM 631 HB2 GLN A 40 40.996 -6.017 1.580 1.00 0.00 H +ATOM 632 HB3 GLN A 40 39.574 -6.855 0.962 1.00 0.00 H +ATOM 633 HG2 GLN A 40 39.888 -7.226 3.349 1.00 0.00 H +ATOM 634 HG3 GLN A 40 39.922 -8.721 2.437 1.00 0.00 H +ATOM 635 HE21 GLN A 40 42.157 -6.174 3.611 1.00 0.00 H +ATOM 636 HE22 GLN A 40 43.146 -7.259 4.549 1.00 0.00 H +ATOM 637 N ASN A 41 41.092 -8.529 -1.988 1.00 0.00 N +ATOM 638 CA ASN A 41 40.425 -9.278 -3.057 1.00 0.00 C +ATOM 639 C ASN A 41 40.014 -10.700 -2.628 1.00 0.00 C +ATOM 640 O ASN A 41 38.866 -11.088 -2.807 1.00 0.00 O +ATOM 641 CB ASN A 41 41.368 -9.352 -4.275 1.00 0.00 C +ATOM 642 CG ASN A 41 40.627 -9.038 -5.580 1.00 0.00 C +ATOM 643 OD1 ASN A 41 39.609 -9.637 -5.916 1.00 0.00 O +ATOM 644 ND2 ASN A 41 41.198 -8.047 -6.287 1.00 0.00 N +ATOM 645 H ASN A 41 41.929 -8.029 -2.220 1.00 0.00 H +ATOM 646 HA ASN A 41 39.511 -8.720 -3.279 1.00 0.00 H +ATOM 647 HB2 ASN A 41 42.185 -8.642 -4.146 1.00 0.00 H +ATOM 648 HB3 ASN A 41 41.855 -10.322 -4.385 1.00 0.00 H +ATOM 649 HD21 ASN A 41 42.042 -7.603 -5.970 1.00 0.00 H +ATOM 650 HD22 ASN A 41 40.791 -7.735 -7.137 1.00 0.00 H +ATOM 651 N PHE A 42 41.010 -11.414 -2.044 1.00 0.00 N +ATOM 652 CA PHE A 42 40.848 -12.746 -1.444 1.00 0.00 C +ATOM 653 C PHE A 42 39.701 -12.762 -0.411 1.00 0.00 C +ATOM 654 O PHE A 42 39.888 -12.490 0.771 1.00 0.00 O +ATOM 655 CB PHE A 42 42.170 -13.143 -0.754 1.00 0.00 C +ATOM 656 CG PHE A 42 43.001 -14.100 -1.564 1.00 0.00 C +ATOM 657 CD1 PHE A 42 43.540 -13.720 -2.789 1.00 0.00 C +ATOM 658 CD2 PHE A 42 43.248 -15.383 -1.084 1.00 0.00 C +ATOM 659 CE1 PHE A 42 44.312 -14.609 -3.524 1.00 0.00 C +ATOM 660 CE2 PHE A 42 44.020 -16.274 -1.815 1.00 0.00 C +ATOM 661 CZ PHE A 42 44.552 -15.887 -3.036 1.00 0.00 C +ATOM 662 H PHE A 42 41.916 -10.986 -2.028 1.00 0.00 H +ATOM 663 HA PHE A 42 40.603 -13.439 -2.251 1.00 0.00 H +ATOM 664 HB2 PHE A 42 42.758 -12.250 -0.549 1.00 0.00 H +ATOM 665 HB3 PHE A 42 42.003 -13.600 0.222 1.00 0.00 H +ATOM 666 HD1 PHE A 42 43.363 -12.725 -3.171 1.00 0.00 H +ATOM 667 HD2 PHE A 42 42.843 -15.690 -0.132 1.00 0.00 H +ATOM 668 HE1 PHE A 42 44.731 -14.308 -4.472 1.00 0.00 H +ATOM 669 HE2 PHE A 42 44.211 -17.266 -1.431 1.00 0.00 H +ATOM 670 HZ PHE A 42 45.154 -16.578 -3.603 1.00 0.00 H +ATOM 671 N ASP A 43 38.515 -13.097 -0.960 1.00 0.00 N +ATOM 672 CA ASP A 43 37.271 -13.107 -0.207 1.00 0.00 C +ATOM 673 C ASP A 43 36.127 -13.432 -1.180 1.00 0.00 C +ATOM 674 O ASP A 43 36.021 -12.885 -2.269 1.00 0.00 O +ATOM 675 CB ASP A 43 37.011 -11.737 0.497 1.00 0.00 C +ATOM 676 CG ASP A 43 36.764 -11.859 2.018 1.00 0.00 C +ATOM 677 OD1 ASP A 43 36.430 -12.941 2.496 1.00 0.00 O +ATOM 678 OD2 ASP A 43 36.913 -10.851 2.713 1.00 0.00 O +ATOM 679 H ASP A 43 38.489 -13.301 -1.939 1.00 0.00 H +ATOM 680 HA ASP A 43 37.377 -13.944 0.488 1.00 0.00 H +ATOM 681 HB2 ASP A 43 37.842 -11.052 0.348 1.00 0.00 H +ATOM 682 HB3 ASP A 43 36.181 -11.181 0.061 1.00 0.00 H +ATOM 683 N ASP A 44 35.280 -14.352 -0.695 1.00 0.00 N +ATOM 684 CA ASP A 44 34.073 -14.726 -1.427 1.00 0.00 C +ATOM 685 C ASP A 44 32.887 -14.351 -0.548 1.00 0.00 C +ATOM 686 O ASP A 44 33.001 -14.363 0.667 1.00 0.00 O +ATOM 687 CB ASP A 44 34.120 -16.252 -1.690 1.00 0.00 C +ATOM 688 CG ASP A 44 33.958 -16.620 -3.176 1.00 0.00 C +ATOM 689 OD1 ASP A 44 34.405 -15.856 -4.027 1.00 0.00 O +ATOM 690 OD2 ASP A 44 33.392 -17.677 -3.465 1.00 0.00 O +ATOM 691 H ASP A 44 35.490 -14.730 0.208 1.00 0.00 H +ATOM 692 HA ASP A 44 33.990 -14.113 -2.331 1.00 0.00 H +ATOM 693 HB2 ASP A 44 35.080 -16.649 -1.363 1.00 0.00 H +ATOM 694 HB3 ASP A 44 33.388 -16.803 -1.100 1.00 0.00 H +ATOM 695 N GLU A 45 31.775 -14.014 -1.243 1.00 0.00 N +ATOM 696 CA GLU A 45 30.471 -13.663 -0.646 1.00 0.00 C +ATOM 697 C GLU A 45 30.569 -12.525 0.420 1.00 0.00 C +ATOM 698 O GLU A 45 31.800 -12.354 0.713 1.00 0.00 O +ATOM 699 CB GLU A 45 29.701 -14.908 -0.149 1.00 0.00 C +ATOM 700 CG GLU A 45 30.372 -15.649 1.016 1.00 0.00 C +ATOM 701 CD GLU A 45 29.409 -16.529 1.837 1.00 0.00 C +ATOM 702 OE1 GLU A 45 28.254 -16.710 1.448 1.00 0.00 O +ATOM 703 OE2 GLU A 45 29.839 -17.022 2.879 1.00 0.00 O +ATOM 704 OXT GLU A 45 29.663 -12.315 1.043 1.00 0.00 O +ATOM 705 H GLU A 45 31.861 -14.037 -2.239 1.00 0.00 H +ATOM 706 HA GLU A 45 29.901 -13.267 -1.485 1.00 0.00 H +ATOM 707 HB2 GLU A 45 28.696 -14.594 0.131 1.00 0.00 H +ATOM 708 HB3 GLU A 45 29.531 -15.625 -0.953 1.00 0.00 H +ATOM 709 HG2 GLU A 45 31.175 -16.270 0.621 1.00 0.00 H +ATOM 710 HG3 GLU A 45 30.833 -14.942 1.704 1.00 0.00 H Added: SwiftApps/modFTdock/input/1j0w-1.pdb =================================================================== --- SwiftApps/modFTdock/input/1j0w-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/1j0w-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,790 @@ +ATOM 1 N GLN A 9 48.290 25.092 30.264 1.00 78.87 N +ATOM 2 CA GLN A 9 48.714 23.665 30.176 1.00 78.72 C +ATOM 3 C GLN A 9 48.618 23.214 28.682 1.00 78.28 C +ATOM 4 O GLN A 9 48.566 24.063 27.771 1.00 78.12 O +ATOM 5 CB GLN A 9 47.793 22.825 31.090 1.00 79.81 C +ATOM 6 CG GLN A 9 48.287 21.404 31.434 1.00 81.54 C +ATOM 7 CD GLN A 9 47.207 20.333 31.221 1.00 82.93 C +ATOM 8 OE1 GLN A 9 46.698 20.172 30.101 1.00 83.16 O +ATOM 9 NE2 GLN A 9 46.857 19.593 32.293 1.00 82.80 N +ATOM 10 N SER A 10 48.603 21.890 28.461 1.00 76.27 N +ATOM 11 CA SER A 10 48.497 21.194 27.151 1.00 72.91 C +ATOM 12 C SER A 10 48.321 21.938 25.787 1.00 70.84 C +ATOM 13 O SER A 10 48.221 23.186 25.722 1.00 71.02 O +ATOM 14 CB SER A 10 47.371 20.135 27.257 1.00 73.04 C +ATOM 15 OG SER A 10 47.616 19.147 28.256 1.00 71.38 O +ATOM 16 N GLU A 11 48.326 21.116 24.715 1.00 67.42 N +ATOM 17 CA GLU A 11 48.104 21.480 23.284 1.00 63.57 C +ATOM 18 C GLU A 11 46.776 20.762 22.953 1.00 59.45 C +ATOM 19 O GLU A 11 45.938 21.299 22.251 1.00 59.29 O +ATOM 20 CB GLU A 11 49.204 20.930 22.354 1.00 64.78 C +ATOM 21 CG GLU A 11 48.771 20.599 20.889 1.00 66.21 C +ATOM 22 CD GLU A 11 48.640 21.849 20.008 1.00 69.86 C +ATOM 23 OE1 GLU A 11 48.734 21.751 18.753 1.00 69.51 O +ATOM 24 OE2 GLU A 11 48.437 22.950 20.577 1.00 72.00 O +ATOM 25 N ARG A 12 46.625 19.531 23.432 1.00 54.34 N +ATOM 26 CA ARG A 12 45.377 18.787 23.289 1.00 50.83 C +ATOM 27 C ARG A 12 44.883 18.652 24.725 1.00 48.55 C +ATOM 28 O ARG A 12 45.641 18.221 25.599 1.00 47.37 O +ATOM 29 CB ARG A 12 45.604 17.390 22.711 1.00 50.73 C +ATOM 30 CG ARG A 12 45.857 17.393 21.244 1.00 49.63 C +ATOM 31 CD ARG A 12 45.592 16.047 20.656 1.00 51.56 C +ATOM 32 NE ARG A 12 45.950 16.018 19.235 1.00 51.89 N +ATOM 33 CZ ARG A 12 45.700 14.996 18.430 1.00 51.45 C +ATOM 34 NH1 ARG A 12 45.069 13.914 18.910 1.00 49.79 N +ATOM 35 NH2 ARG A 12 46.113 15.044 17.162 1.00 50.88 N +ATOM 36 N PHE A 13 43.628 19.016 24.981 1.00 46.40 N +ATOM 37 CA PHE A 13 43.074 18.951 26.330 1.00 42.89 C +ATOM 38 C PHE A 13 42.094 17.844 26.436 1.00 43.90 C +ATOM 39 O PHE A 13 41.187 17.780 25.608 1.00 45.00 O +ATOM 40 CB PHE A 13 42.371 20.242 26.638 1.00 40.65 C +ATOM 41 CG PHE A 13 43.301 21.399 26.764 1.00 41.38 C +ATOM 42 CD1 PHE A 13 43.455 22.299 25.720 1.00 42.40 C +ATOM 43 CD2 PHE A 13 44.064 21.570 27.926 1.00 40.63 C +ATOM 44 CE1 PHE A 13 44.358 23.365 25.830 1.00 43.85 C +ATOM 45 CE2 PHE A 13 44.971 22.625 28.059 1.00 40.48 C +ATOM 46 CZ PHE A 13 45.121 23.526 27.017 1.00 42.75 C +ATOM 47 N ASN A 14 42.262 16.953 27.418 1.00 44.27 N +ATOM 48 CA ASN A 14 41.300 15.849 27.608 1.00 44.70 C +ATOM 49 C ASN A 14 40.034 16.374 28.267 1.00 43.70 C +ATOM 50 O ASN A 14 40.095 16.950 29.349 1.00 44.60 O +ATOM 51 CB ASN A 14 41.874 14.763 28.500 1.00 45.05 C +ATOM 52 CG ASN A 14 43.079 14.090 27.880 1.00 47.25 C +ATOM 53 OD1 ASN A 14 42.977 13.429 26.806 1.00 45.51 O +ATOM 54 ND2 ASN A 14 44.249 14.255 28.540 1.00 46.00 N +ATOM 55 N VAL A 15 38.892 16.104 27.644 1.00 41.29 N +ATOM 56 CA VAL A 15 37.618 16.611 28.115 1.00 37.95 C +ATOM 57 C VAL A 15 36.579 15.534 27.861 1.00 37.04 C +ATOM 58 O VAL A 15 36.886 14.507 27.268 1.00 37.54 O +ATOM 59 CB VAL A 15 37.234 17.849 27.292 1.00 37.71 C +ATOM 60 CG1 VAL A 15 38.412 18.777 27.137 1.00 36.94 C +ATOM 61 CG2 VAL A 15 36.828 17.426 25.921 1.00 37.00 C +ATOM 62 N TYR A 16 35.339 15.799 28.251 1.00 34.82 N +ATOM 63 CA TYR A 16 34.265 14.843 28.104 1.00 32.53 C +ATOM 64 C TYR A 16 33.063 15.612 27.552 1.00 33.21 C +ATOM 65 O TYR A 16 32.403 16.362 28.249 1.00 34.18 O +ATOM 66 CB TYR A 16 33.950 14.254 29.479 1.00 30.13 C +ATOM 67 CG TYR A 16 32.817 13.291 29.481 1.00 29.09 C +ATOM 68 CD1 TYR A 16 33.035 11.929 29.610 1.00 29.50 C +ATOM 69 CD2 TYR A 16 31.521 13.723 29.210 1.00 31.79 C +ATOM 70 CE1 TYR A 16 32.015 11.015 29.460 1.00 30.47 C +ATOM 71 CE2 TYR A 16 30.479 12.813 29.045 1.00 32.42 C +ATOM 72 CZ TYR A 16 30.743 11.457 29.168 1.00 33.29 C +ATOM 73 OH TYR A 16 29.712 10.554 28.950 1.00 35.60 O +ATOM 74 N LEU A 17 32.769 15.416 26.284 1.00 34.07 N +ATOM 75 CA LEU A 17 31.673 16.103 25.627 1.00 33.53 C +ATOM 76 C LEU A 17 30.322 15.528 26.018 1.00 35.15 C +ATOM 77 O LEU A 17 30.035 14.343 25.792 1.00 36.02 O +ATOM 78 CB LEU A 17 31.875 15.980 24.128 1.00 30.14 C +ATOM 79 CG LEU A 17 30.751 16.495 23.252 1.00 31.75 C +ATOM 80 CD1 LEU A 17 30.499 18.001 23.503 1.00 29.97 C +ATOM 81 CD2 LEU A 17 31.144 16.238 21.787 1.00 31.65 C +ATOM 90 N PRO A 19 26.433 14.726 25.718 1.00 39.20 N +ATOM 91 CA PRO A 19 25.609 14.442 24.527 1.00 40.15 C +ATOM 92 C PRO A 19 24.917 15.739 24.076 1.00 42.95 C +ATOM 93 O PRO A 19 24.424 16.514 24.903 1.00 44.93 O +ATOM 94 CB PRO A 19 24.594 13.432 25.036 1.00 38.70 C +ATOM 95 CG PRO A 19 25.280 12.778 26.179 1.00 37.69 C +ATOM 96 CD PRO A 19 26.093 13.839 26.843 1.00 36.84 C +ATOM 97 N SER A 20 24.872 15.995 22.779 1.00 45.67 N +ATOM 98 CA SER A 20 24.242 17.212 22.283 1.00 47.85 C +ATOM 99 C SER A 20 23.382 16.819 21.104 1.00 50.90 C +ATOM 100 O SER A 20 23.731 15.892 20.386 1.00 53.50 O +ATOM 101 CB SER A 20 25.293 18.156 21.775 1.00 45.62 C +ATOM 102 OG SER A 20 25.841 17.535 20.650 1.00 43.17 O +ATOM 103 N PRO A 21 22.266 17.533 20.866 1.00 53.55 N +ATOM 104 CA PRO A 21 21.366 17.225 19.743 1.00 54.68 C +ATOM 105 C PRO A 21 21.931 17.405 18.333 1.00 55.69 C +ATOM 106 O PRO A 21 21.448 16.771 17.394 1.00 57.46 O +ATOM 107 CB PRO A 21 20.201 18.174 19.976 1.00 55.32 C +ATOM 108 CG PRO A 21 20.896 19.424 20.590 1.00 53.83 C +ATOM 109 CD PRO A 21 21.794 18.731 21.608 1.00 54.28 C +ATOM 110 N ASN A 22 22.950 18.239 18.175 1.00 55.96 N +ATOM 111 CA ASN A 22 23.512 18.526 16.843 1.00 57.31 C +ATOM 112 C ASN A 22 24.701 17.685 16.458 1.00 57.50 C +ATOM 113 O ASN A 22 25.060 17.588 15.292 1.00 58.45 O +ATOM 114 CB ASN A 22 23.950 20.000 16.755 1.00 58.26 C +ATOM 115 CG ASN A 22 22.788 20.980 16.910 1.00 60.71 C +ATOM 116 OD1 ASN A 22 22.995 22.148 17.276 1.00 62.81 O +ATOM 117 ND2 ASN A 22 21.562 20.520 16.616 1.00 61.07 N +ATOM 118 N LEU A 23 25.347 17.106 17.444 1.00 57.94 N +ATOM 119 CA LEU A 23 26.522 16.298 17.191 1.00 57.88 C +ATOM 120 C LEU A 23 26.111 14.884 17.635 1.00 58.41 C +ATOM 121 O LEU A 23 25.358 14.739 18.597 1.00 58.23 O +ATOM 122 CB LEU A 23 27.656 16.867 18.042 1.00 57.34 C +ATOM 123 CG LEU A 23 29.081 16.596 17.625 1.00 58.09 C +ATOM 124 CD1 LEU A 23 29.204 17.046 16.197 1.00 58.54 C +ATOM 125 CD2 LEU A 23 30.083 17.334 18.520 1.00 57.72 C +ATOM 126 N ASP A 24 26.564 13.844 16.951 1.00 59.09 N +ATOM 127 CA ASP A 24 26.169 12.515 17.368 1.00 60.44 C +ATOM 128 C ASP A 24 27.312 11.826 18.093 1.00 60.26 C +ATOM 129 O ASP A 24 27.324 10.600 18.319 1.00 61.13 O +ATOM 130 CB ASP A 24 25.706 11.693 16.174 1.00 64.01 C +ATOM 131 CG ASP A 24 25.331 10.264 16.564 1.00 67.84 C +ATOM 132 OD1 ASP A 24 24.678 10.069 17.633 1.00 68.65 O +ATOM 133 OD2 ASP A 24 25.691 9.329 15.796 1.00 70.98 O +ATOM 134 N VAL A 25 28.291 12.631 18.471 1.00 58.34 N +ATOM 135 CA VAL A 25 29.413 12.094 19.212 1.00 56.09 C +ATOM 136 C VAL A 25 29.425 12.721 20.613 1.00 53.68 C +ATOM 137 O VAL A 25 29.088 13.892 20.775 1.00 51.58 O +ATOM 138 CB VAL A 25 30.765 12.410 18.507 1.00 56.63 C +ATOM 139 CG1 VAL A 25 31.061 13.905 18.555 1.00 56.60 C +ATOM 140 CG2 VAL A 25 31.885 11.634 19.176 1.00 56.68 C +ATOM 141 N HIS A 26 29.790 11.914 21.609 1.00 51.28 N +ATOM 142 CA HIS A 26 29.910 12.372 22.981 1.00 49.37 C +ATOM 143 C HIS A 26 30.945 11.505 23.681 1.00 47.03 C +ATOM 144 O HIS A 26 31.516 10.607 23.069 1.00 47.07 O +ATOM 145 CB HIS A 26 28.592 12.272 23.722 1.00 50.00 C +ATOM 146 CG HIS A 26 28.265 10.895 24.181 1.00 52.71 C +ATOM 147 ND1 HIS A 26 27.793 9.917 23.327 1.00 53.17 N +ATOM 148 CD2 HIS A 26 28.317 10.329 25.417 1.00 54.05 C +ATOM 149 CE1 HIS A 26 27.563 8.809 24.019 1.00 55.26 C +ATOM 150 NE2 HIS A 26 27.873 9.034 25.289 1.00 55.96 N +ATOM 151 N GLY A 27 31.198 11.795 24.951 1.00 44.32 N +ATOM 152 CA GLY A 27 32.150 11.011 25.712 1.00 40.84 C +ATOM 153 C GLY A 27 33.476 11.697 25.626 1.00 38.30 C +ATOM 154 O GLY A 27 33.524 12.849 25.202 1.00 35.18 O +ATOM 155 N GLU A 28 34.548 11.008 26.022 1.00 37.83 N +ATOM 156 CA GLU A 28 35.876 11.623 25.976 1.00 38.50 C +ATOM 157 C GLU A 28 36.437 11.896 24.614 1.00 36.89 C +ATOM 158 O GLU A 28 36.219 11.153 23.650 1.00 37.56 O +ATOM 159 CB GLU A 28 36.913 10.799 26.733 1.00 40.42 C +ATOM 160 CG GLU A 28 37.154 9.417 26.218 1.00 44.84 C +ATOM 161 CD GLU A 28 38.231 8.679 27.073 1.00 50.12 C +ATOM 162 OE1 GLU A 28 38.254 7.417 27.096 1.00 53.15 O +ATOM 163 OE2 GLU A 28 39.062 9.349 27.733 1.00 50.17 O +ATOM 164 N CYS A 29 37.176 12.979 24.540 1.00 35.48 N +ATOM 165 CA CYS A 29 37.827 13.351 23.315 1.00 36.58 C +ATOM 166 C CYS A 29 38.859 14.371 23.723 1.00 37.30 C +ATOM 167 O CYS A 29 38.996 14.693 24.906 1.00 38.17 O +ATOM 168 CB CYS A 29 36.845 13.894 22.289 1.00 36.42 C +ATOM 169 SG CYS A 29 35.747 15.038 22.994 1.00 36.58 S +ATOM 170 N ALA A 30 39.635 14.850 22.782 1.00 37.32 N +ATOM 171 CA ALA A 30 40.680 15.747 23.176 1.00 38.78 C +ATOM 172 C ALA A 30 40.451 17.048 22.456 1.00 38.73 C +ATOM 173 O ALA A 30 40.425 17.058 21.232 1.00 39.15 O +ATOM 174 CB ALA A 30 42.059 15.122 22.794 1.00 37.88 C +ATOM 175 N LEU A 31 40.304 18.146 23.193 1.00 39.12 N +ATOM 176 CA LEU A 31 40.058 19.418 22.542 1.00 40.35 C +ATOM 177 C LEU A 31 41.338 20.138 22.130 1.00 42.50 C +ATOM 178 O LEU A 31 42.358 20.059 22.812 1.00 44.12 O +ATOM 179 CB LEU A 31 39.193 20.272 23.440 1.00 39.60 C +ATOM 180 CG LEU A 31 38.780 21.652 22.964 1.00 40.26 C +ATOM 181 CD1 LEU A 31 37.560 22.135 23.753 1.00 40.99 C +ATOM 182 CD2 LEU A 31 39.963 22.590 23.218 1.00 39.71 C +ATOM 183 N GLN A 32 41.325 20.807 20.978 1.00 44.26 N +ATOM 184 CA GLN A 32 42.532 21.504 20.555 1.00 44.95 C +ATOM 185 C GLN A 32 42.205 22.789 19.864 1.00 45.32 C +ATOM 186 O GLN A 32 41.278 22.868 19.059 1.00 44.44 O +ATOM 187 CB GLN A 32 43.386 20.647 19.618 1.00 45.85 C +ATOM 188 CG GLN A 32 44.654 21.359 19.154 1.00 48.11 C +ATOM 189 CD GLN A 32 45.464 20.521 18.165 1.00 49.63 C +ATOM 190 OE1 GLN A 32 45.113 20.421 16.984 1.00 50.55 O +ATOM 191 NE2 GLN A 32 46.544 19.911 18.647 1.00 49.21 N +ATOM 192 N ILE A 33 42.979 23.806 20.193 1.00 46.64 N +ATOM 193 CA ILE A 33 42.776 25.091 19.593 1.00 48.06 C +ATOM 194 C ILE A 33 43.921 25.365 18.631 1.00 50.40 C +ATOM 195 O ILE A 33 45.085 25.409 19.035 1.00 50.95 O +ATOM 196 CB ILE A 33 42.775 26.179 20.637 1.00 46.33 C +ATOM 197 CG1 ILE A 33 41.478 26.132 21.455 1.00 47.68 C +ATOM 198 CG2 ILE A 33 42.902 27.501 19.970 1.00 46.05 C +ATOM 199 CD1 ILE A 33 41.477 25.113 22.517 1.00 46.03 C +ATOM 200 N THR A 34 43.609 25.545 17.359 1.00 52.60 N +ATOM 201 CA THR A 34 44.664 25.843 16.419 1.00 55.57 C +ATOM 202 C THR A 34 44.587 27.338 16.084 1.00 57.47 C +ATOM 203 O THR A 34 43.784 28.090 16.630 1.00 58.08 O +ATOM 204 CB THR A 34 44.535 25.003 15.104 1.00 55.44 C +ATOM 205 OG1 THR A 34 43.398 25.456 14.349 1.00 56.50 O +ATOM 206 CG2 THR A 34 44.368 23.547 15.417 1.00 54.43 C +ATOM 207 N TYR A 35 45.442 27.759 15.174 1.00 59.57 N +ATOM 208 CA TYR A 35 45.474 29.125 14.747 1.00 60.71 C +ATOM 209 C TYR A 35 44.050 29.554 14.422 1.00 60.99 C +ATOM 210 O TYR A 35 43.605 30.647 14.787 1.00 62.36 O +ATOM 211 CB TYR A 35 46.337 29.224 13.473 1.00 63.31 C +ATOM 212 CG TYR A 35 46.658 30.638 13.151 1.00 67.51 C +ATOM 213 CD1 TYR A 35 47.390 31.402 14.066 1.00 69.87 C +ATOM 214 CD2 TYR A 35 46.066 31.289 12.061 1.00 69.04 C +ATOM 215 CE1 TYR A 35 47.505 32.782 13.936 1.00 71.23 C +ATOM 216 CE2 TYR A 35 46.174 32.693 11.912 1.00 71.16 C +ATOM 217 CZ TYR A 35 46.890 33.428 12.873 1.00 72.11 C +ATOM 218 OH TYR A 35 46.934 34.811 12.862 1.00 74.01 O +ATOM 219 N GLU A 36 43.315 28.649 13.782 1.00 60.00 N +ATOM 220 CA GLU A 36 41.995 28.970 13.277 1.00 58.46 C +ATOM 221 C GLU A 36 40.746 28.275 13.774 1.00 57.19 C +ATOM 222 O GLU A 36 39.642 28.742 13.497 1.00 55.91 O +ATOM 223 CB GLU A 36 42.069 28.774 11.790 1.00 60.90 C +ATOM 224 CG GLU A 36 41.049 29.508 10.992 1.00 65.01 C +ATOM 225 CD GLU A 36 41.700 30.121 9.763 1.00 67.01 C +ATOM 226 OE1 GLU A 36 41.983 31.347 9.817 1.00 66.83 O +ATOM 227 OE2 GLU A 36 41.948 29.370 8.773 1.00 66.68 O +ATOM 228 N TYR A 37 40.898 27.158 14.486 1.00 55.98 N +ATOM 229 CA TYR A 37 39.726 26.414 14.942 1.00 53.61 C +ATOM 230 C TYR A 37 39.886 25.763 16.294 1.00 52.69 C +ATOM 231 O TYR A 37 40.988 25.736 16.869 1.00 52.53 O +ATOM 232 CB TYR A 37 39.431 25.234 14.019 1.00 53.71 C +ATOM 233 CG TYR A 37 39.199 25.477 12.551 1.00 55.76 C +ATOM 234 CD1 TYR A 37 40.258 25.757 11.688 1.00 56.44 C +ATOM 235 CD2 TYR A 37 37.920 25.302 11.995 1.00 57.29 C +ATOM 236 CE1 TYR A 37 40.058 25.846 10.313 1.00 57.55 C +ATOM 237 CE2 TYR A 37 37.704 25.389 10.612 1.00 57.35 C +ATOM 238 CZ TYR A 37 38.780 25.661 9.777 1.00 58.21 C +ATOM 239 OH TYR A 37 38.578 25.755 8.401 1.00 61.13 O +ATOM 240 N ILE A 38 38.765 25.199 16.759 1.00 50.87 N +ATOM 241 CA ILE A 38 38.725 24.374 17.966 1.00 49.69 C +ATOM 242 C ILE A 38 38.494 23.007 17.334 1.00 47.77 C +ATOM 243 O ILE A 38 37.577 22.875 16.518 1.00 47.24 O +ATOM 244 CB ILE A 38 37.493 24.586 18.804 1.00 50.96 C +ATOM 245 CG1 ILE A 38 37.522 25.936 19.460 1.00 51.29 C +ATOM 246 CG2 ILE A 38 37.386 23.484 19.863 1.00 51.23 C +ATOM 247 CD1 ILE A 38 36.214 26.172 20.136 1.00 50.99 C +ATOM 248 N CYS A 39 39.288 22.003 17.690 1.00 47.54 N +ATOM 249 CA CYS A 39 39.119 20.655 17.123 1.00 47.85 C +ATOM 250 C CYS A 39 38.866 19.641 18.205 1.00 46.46 C +ATOM 251 O CYS A 39 39.385 19.756 19.303 1.00 44.66 O +ATOM 252 CB CYS A 39 40.387 20.182 16.405 1.00 51.05 C +ATOM 253 SG CYS A 39 41.125 21.324 15.238 1.00 60.50 S +ATOM 254 N LEU A 40 38.097 18.617 17.879 1.00 46.56 N +ATOM 255 CA LEU A 40 37.865 17.547 18.842 1.00 45.98 C +ATOM 256 C LEU A 40 38.469 16.310 18.245 1.00 46.23 C +ATOM 257 O LEU A 40 38.001 15.852 17.186 1.00 46.29 O +ATOM 258 CB LEU A 40 36.381 17.269 19.046 1.00 46.05 C +ATOM 259 CG LEU A 40 35.668 18.373 19.787 1.00 45.44 C +ATOM 260 CD1 LEU A 40 34.318 17.883 20.245 1.00 45.08 C +ATOM 261 CD2 LEU A 40 36.532 18.749 20.991 1.00 44.81 C +ATOM 262 N TRP A 41 39.502 15.771 18.888 1.00 44.93 N +ATOM 263 CA TRP A 41 40.098 14.546 18.405 1.00 44.44 C +ATOM 264 C TRP A 41 39.604 13.400 19.260 1.00 45.48 C +ATOM 265 O TRP A 41 39.313 13.569 20.451 1.00 45.60 O +ATOM 266 CB TRP A 41 41.602 14.566 18.526 1.00 44.32 C +ATOM 267 CG TRP A 41 42.291 15.554 17.671 1.00 44.89 C +ATOM 268 CD1 TRP A 41 42.545 16.859 17.973 1.00 44.42 C +ATOM 269 CD2 TRP A 41 42.843 15.324 16.372 1.00 44.75 C +ATOM 270 NE1 TRP A 41 43.227 17.460 16.953 1.00 44.94 N +ATOM 271 CE2 TRP A 41 43.429 16.547 15.949 1.00 45.45 C +ATOM 272 CE3 TRP A 41 42.903 14.206 15.522 1.00 45.75 C +ATOM 273 CZ2 TRP A 41 44.067 16.698 14.693 1.00 44.46 C +ATOM 274 CZ3 TRP A 41 43.538 14.350 14.260 1.00 46.89 C +ATOM 275 CH2 TRP A 41 44.112 15.596 13.869 1.00 46.26 C +ATOM 276 N ASP A 42 39.518 12.228 18.650 1.00 46.05 N +ATOM 277 CA ASP A 42 39.121 11.020 19.353 1.00 46.64 C +ATOM 278 C ASP A 42 40.259 10.725 20.312 1.00 47.29 C +ATOM 279 O ASP A 42 41.416 11.085 20.063 1.00 46.62 O +ATOM 280 CB ASP A 42 39.005 9.897 18.353 1.00 47.09 C +ATOM 281 CG ASP A 42 38.302 8.714 18.899 1.00 48.57 C +ATOM 282 OD1 ASP A 42 38.983 7.742 19.320 1.00 51.98 O +ATOM 283 OD2 ASP A 42 37.052 8.741 18.906 1.00 50.08 O +ATOM 284 N VAL A 43 39.967 10.084 21.431 1.00 49.22 N +ATOM 285 CA VAL A 43 41.068 9.773 22.349 1.00 48.62 C +ATOM 286 C VAL A 43 41.513 8.320 22.150 1.00 48.70 C +ATOM 287 O VAL A 43 42.729 8.012 22.277 1.00 48.64 O +ATOM 288 CB VAL A 43 40.673 10.042 23.825 1.00 49.35 C +ATOM 289 CG1 VAL A 43 41.524 9.187 24.766 1.00 49.03 C +ATOM 290 CG2 VAL A 43 40.942 11.551 24.155 1.00 48.40 C +ATOM 291 N GLN A 44 40.564 7.432 21.827 1.00 46.98 N +ATOM 292 CA GLN A 44 40.942 6.057 21.600 1.00 48.63 C +ATOM 293 C GLN A 44 41.931 6.007 20.404 1.00 49.08 C +ATOM 294 O GLN A 44 42.965 5.349 20.528 1.00 49.77 O +ATOM 295 CB GLN A 44 39.707 5.188 21.373 1.00 50.55 C +ATOM 296 CG GLN A 44 39.041 4.707 22.717 1.00 53.94 C +ATOM 297 CD GLN A 44 39.969 3.806 23.657 1.00 55.74 C +ATOM 298 OE1 GLN A 44 39.998 2.542 23.509 1.00 53.41 O +ATOM 299 NE2 GLN A 44 40.709 4.466 24.615 1.00 51.87 N +ATOM 300 N ASN A 45 41.613 6.698 19.280 1.00 47.69 N +ATOM 301 CA ASN A 45 42.499 6.830 18.098 1.00 45.13 C +ATOM 302 C ASN A 45 42.754 8.343 18.001 1.00 44.23 C +ATOM 303 O ASN A 45 41.985 9.112 17.432 1.00 42.14 O +ATOM 304 CB ASN A 45 41.852 6.330 16.788 1.00 45.30 C +ATOM 305 CG ASN A 45 42.904 6.173 15.643 1.00 45.42 C +ATOM 306 OD1 ASN A 45 44.021 6.666 15.766 1.00 46.28 O +ATOM 307 ND2 ASN A 45 42.542 5.510 14.557 1.00 43.43 N +ATOM 308 N PRO A 46 43.856 8.794 18.569 1.00 44.00 N +ATOM 309 CA PRO A 46 44.105 10.230 18.514 1.00 44.11 C +ATOM 310 C PRO A 46 44.437 10.767 17.160 1.00 45.10 C +ATOM 311 O PRO A 46 44.830 11.937 17.013 1.00 46.19 O +ATOM 312 CB PRO A 46 45.233 10.424 19.530 1.00 45.29 C +ATOM 313 CG PRO A 46 45.951 9.067 19.511 1.00 45.54 C +ATOM 314 CD PRO A 46 44.784 8.113 19.486 1.00 44.50 C +ATOM 315 N ARG A 47 44.279 9.941 16.139 1.00 45.01 N +ATOM 316 CA ARG A 47 44.593 10.441 14.825 1.00 43.46 C +ATOM 317 C ARG A 47 43.345 10.885 14.111 1.00 42.27 C +ATOM 318 O ARG A 47 43.448 11.554 13.084 1.00 41.83 O +ATOM 319 CB ARG A 47 45.254 9.355 13.983 1.00 44.59 C +ATOM 320 CG ARG A 47 46.689 9.112 14.315 1.00 43.21 C +ATOM 321 CD ARG A 47 47.019 7.739 13.855 1.00 42.09 C +ATOM 322 NE ARG A 47 48.007 7.152 14.737 1.00 45.24 N +ATOM 323 CZ ARG A 47 47.743 6.213 15.652 1.00 46.18 C +ATOM 324 NH1 ARG A 47 46.505 5.733 15.815 1.00 42.50 N +ATOM 325 NH2 ARG A 47 48.744 5.740 16.405 1.00 47.38 N +ATOM 326 N VAL A 48 42.187 10.486 14.626 1.00 40.06 N +ATOM 327 CA VAL A 48 40.932 10.810 13.995 1.00 40.08 C +ATOM 328 C VAL A 48 40.308 12.075 14.552 1.00 41.33 C +ATOM 329 O VAL A 48 40.002 12.147 15.746 1.00 41.88 O +ATOM 330 CB VAL A 48 39.924 9.672 14.172 1.00 40.50 C +ATOM 331 CG1 VAL A 48 38.627 10.026 13.429 1.00 42.12 C +ATOM 332 CG2 VAL A 48 40.489 8.378 13.644 1.00 39.13 C +ATOM 333 N LYS A 49 40.136 13.085 13.701 1.00 42.48 N +ATOM 334 CA LYS A 49 39.529 14.348 14.128 1.00 43.43 C +ATOM 335 C LYS A 49 38.034 14.157 13.997 1.00 43.12 C +ATOM 336 O LYS A 49 37.542 13.839 12.923 1.00 45.01 O +ATOM 337 CB LYS A 49 39.969 15.500 13.240 1.00 43.32 C +ATOM 338 CG LYS A 49 39.492 16.841 13.720 1.00 44.03 C +ATOM 339 CD LYS A 49 39.707 17.886 12.643 1.00 46.42 C +ATOM 340 CE LYS A 49 40.911 18.797 12.934 1.00 47.47 C +ATOM 341 NZ LYS A 49 42.140 18.459 12.127 1.00 48.28 N +ATOM 342 N LEU A 50 37.322 14.323 15.101 1.00 42.56 N +ATOM 343 CA LEU A 50 35.892 14.131 15.136 1.00 41.54 C +ATOM 344 C LEU A 50 35.093 15.300 14.589 1.00 41.82 C +ATOM 345 O LEU A 50 34.084 15.093 13.932 1.00 41.07 O +ATOM 346 CB LEU A 50 35.436 13.925 16.578 1.00 42.72 C +ATOM 347 CG LEU A 50 36.073 12.745 17.299 1.00 45.52 C +ATOM 348 CD1 LEU A 50 35.793 12.818 18.824 1.00 41.44 C +ATOM 349 CD2 LEU A 50 35.546 11.424 16.640 1.00 44.25 C +ATOM 350 N ILE A 51 35.516 16.524 14.882 1.00 42.16 N +ATOM 351 CA ILE A 51 34.736 17.674 14.473 1.00 43.43 C +ATOM 352 C ILE A 51 35.500 18.988 14.705 1.00 44.12 C +ATOM 353 O ILE A 51 36.514 19.023 15.422 1.00 44.03 O +ATOM 354 CB ILE A 51 33.429 17.674 15.287 1.00 45.24 C +ATOM 355 CG1 ILE A 51 32.282 18.343 14.503 1.00 44.87 C +ATOM 356 CG2 ILE A 51 33.697 18.282 16.644 1.00 45.12 C +ATOM 357 CD1 ILE A 51 32.527 19.737 14.114 1.00 47.88 C +ATOM 358 N SER A 52 34.993 20.070 14.121 1.00 43.70 N +ATOM 359 CA SER A 52 35.653 21.362 14.207 1.00 45.01 C +ATOM 360 C SER A 52 34.689 22.496 14.047 1.00 45.43 C +ATOM 361 O SER A 52 33.617 22.361 13.398 1.00 46.65 O +ATOM 362 CB SER A 52 36.692 21.533 13.104 1.00 45.76 C +ATOM 363 OG SER A 52 37.946 21.082 13.529 1.00 48.94 O +ATOM 364 N TRP A 53 35.116 23.620 14.611 1.00 43.62 N +ATOM 365 CA TRP A 53 34.361 24.851 14.596 1.00 44.06 C +ATOM 366 C TRP A 53 35.388 25.951 14.311 1.00 45.42 C +ATOM 367 O TRP A 53 36.414 26.050 15.026 1.00 45.08 O +ATOM 368 CB TRP A 53 33.748 25.113 15.984 1.00 40.23 C +ATOM 369 CG TRP A 53 32.695 24.122 16.412 1.00 40.46 C +ATOM 370 CD1 TRP A 53 31.337 24.199 16.167 1.00 39.99 C +ATOM 371 CD2 TRP A 53 32.889 22.918 17.193 1.00 38.61 C +ATOM 372 NE1 TRP A 53 30.695 23.128 16.752 1.00 40.98 N +ATOM 373 CE2 TRP A 53 31.625 22.330 17.385 1.00 38.17 C +ATOM 374 CE3 TRP A 53 34.011 22.282 17.744 1.00 37.73 C +ATOM 375 CZ2 TRP A 53 31.453 21.160 18.109 1.00 36.72 C +ATOM 376 CZ3 TRP A 53 33.835 21.126 18.466 1.00 35.36 C +ATOM 377 CH2 TRP A 53 32.569 20.574 18.645 1.00 33.83 C +ATOM 378 N PRO A 54 35.163 26.771 13.263 1.00 45.78 N +ATOM 379 CA PRO A 54 36.213 27.789 13.126 1.00 46.15 C +ATOM 380 C PRO A 54 36.065 28.701 14.345 1.00 46.69 C +ATOM 381 O PRO A 54 34.944 28.938 14.845 1.00 45.50 O +ATOM 382 CB PRO A 54 35.886 28.501 11.793 1.00 44.53 C +ATOM 383 CG PRO A 54 34.516 28.106 11.451 1.00 45.61 C +ATOM 384 CD PRO A 54 34.294 26.720 12.078 1.00 46.42 C +ATOM 385 N LEU A 55 37.188 29.188 14.844 1.00 47.42 N +ATOM 386 CA LEU A 55 37.130 30.059 15.992 1.00 49.89 C +ATOM 387 C LEU A 55 36.178 31.216 15.748 1.00 51.75 C +ATOM 388 O LEU A 55 35.538 31.726 16.659 1.00 53.31 O +ATOM 389 CB LEU A 55 38.521 30.564 16.317 1.00 48.81 C +ATOM 390 CG LEU A 55 39.270 29.408 16.971 1.00 48.35 C +ATOM 391 CD1 LEU A 55 40.781 29.670 17.000 1.00 48.80 C +ATOM 392 CD2 LEU A 55 38.682 29.216 18.389 1.00 47.21 C +ATOM 393 N SER A 56 36.038 31.604 14.503 1.00 54.03 N +ATOM 394 CA SER A 56 35.179 32.724 14.209 1.00 56.50 C +ATOM 395 C SER A 56 33.690 32.425 14.238 1.00 57.18 C +ATOM 396 O SER A 56 32.897 33.350 14.208 1.00 58.29 O +ATOM 397 CB SER A 56 35.560 33.279 12.856 1.00 57.27 C +ATOM 398 OG SER A 56 35.745 32.179 11.988 1.00 59.80 O +ATOM 399 N ALA A 57 33.287 31.164 14.301 1.00 57.45 N +ATOM 400 CA ALA A 57 31.843 30.879 14.311 1.00 57.38 C +ATOM 401 C ALA A 57 31.249 30.874 15.723 1.00 57.17 C +ATOM 402 O ALA A 57 30.062 30.572 15.909 1.00 56.98 O +ATOM 403 CB ALA A 57 31.559 29.523 13.629 1.00 56.65 C +ATOM 404 N LEU A 58 32.065 31.220 16.713 1.00 57.10 N +ATOM 405 CA LEU A 58 31.614 31.195 18.109 1.00 57.37 C +ATOM 406 C LEU A 58 30.912 32.417 18.651 1.00 57.80 C +ATOM 407 O LEU A 58 31.500 33.511 18.686 1.00 57.94 O +ATOM 408 CB LEU A 58 32.789 30.923 19.050 1.00 55.75 C +ATOM 409 CG LEU A 58 33.653 29.730 18.665 1.00 56.16 C +ATOM 410 CD1 LEU A 58 34.789 29.682 19.636 1.00 56.07 C +ATOM 411 CD2 LEU A 58 32.872 28.413 18.618 1.00 53.23 C +ATOM 412 N ARG A 59 29.687 32.194 19.129 1.00 58.48 N +ATOM 413 CA ARG A 59 28.865 33.221 19.745 1.00 59.20 C +ATOM 414 C ARG A 59 29.401 33.509 21.151 1.00 59.08 C +ATOM 415 O ARG A 59 30.115 34.490 21.332 1.00 59.65 O +ATOM 416 CB ARG A 59 27.416 32.761 19.825 1.00 60.86 C +ATOM 417 CG ARG A 59 26.737 32.633 18.482 1.00 63.27 C +ATOM 418 CD ARG A 59 25.305 32.131 18.668 1.00 66.23 C +ATOM 419 NE ARG A 59 24.625 32.047 17.383 1.00 69.70 N +ATOM 420 CZ ARG A 59 23.575 31.264 17.142 1.00 71.42 C +ATOM 421 NH1 ARG A 59 23.082 30.494 18.120 1.00 71.41 N +ATOM 422 NH2 ARG A 59 23.044 31.229 15.911 1.00 70.68 N +ATOM 423 N ARG A 60 29.058 32.689 22.151 1.00 59.34 N +ATOM 424 CA ARG A 60 29.575 32.906 23.521 1.00 58.30 C +ATOM 425 C ARG A 60 30.537 31.733 23.825 1.00 57.26 C +ATOM 426 O ARG A 60 30.680 30.793 23.041 1.00 56.81 O +ATOM 427 CB ARG A 60 28.463 32.890 24.618 1.00 57.64 C +ATOM 428 CG ARG A 60 27.000 33.304 24.305 1.00 61.85 C +ATOM 429 CD ARG A 60 26.732 34.852 24.259 1.00 66.26 C +ATOM 430 NE ARG A 60 26.484 35.528 25.555 1.00 69.28 N +ATOM 431 CZ ARG A 60 26.839 36.798 25.831 1.00 68.92 C +ATOM 432 NH1 ARG A 60 27.461 37.541 24.914 1.00 67.73 N +ATOM 433 NH2 ARG A 60 26.587 37.325 27.025 1.00 67.56 N +ATOM 434 N TYR A 61 31.225 31.818 24.950 1.00 56.23 N +ATOM 435 CA TYR A 61 32.067 30.734 25.413 1.00 55.16 C +ATOM 436 C TYR A 61 32.549 31.075 26.809 1.00 54.66 C +ATOM 437 O TYR A 61 32.992 32.208 27.080 1.00 55.30 O +ATOM 438 CB TYR A 61 33.223 30.399 24.446 1.00 55.42 C +ATOM 439 CG TYR A 61 34.215 31.492 24.088 1.00 54.11 C +ATOM 440 CD1 TYR A 61 34.092 32.210 22.880 1.00 54.03 C +ATOM 441 CD2 TYR A 61 35.312 31.757 24.906 1.00 52.67 C +ATOM 442 CE1 TYR A 61 35.047 33.173 22.490 1.00 51.89 C +ATOM 443 CE2 TYR A 61 36.268 32.710 24.536 1.00 52.97 C +ATOM 444 CZ TYR A 61 36.126 33.414 23.326 1.00 53.00 C +ATOM 445 OH TYR A 61 37.066 34.356 22.971 1.00 53.40 O +ATOM 446 N GLY A 62 32.406 30.099 27.701 1.00 53.23 N +ATOM 447 CA GLY A 62 32.769 30.298 29.086 1.00 51.33 C +ATOM 448 C GLY A 62 33.304 29.047 29.754 1.00 50.30 C +ATOM 449 O GLY A 62 33.381 27.984 29.109 1.00 51.30 O +ATOM 450 N ARG A 63 33.625 29.171 31.045 1.00 47.03 N +ATOM 451 CA ARG A 63 34.215 28.099 31.807 1.00 44.96 C +ATOM 452 C ARG A 63 34.031 28.210 33.326 1.00 43.48 C +ATOM 453 O ARG A 63 33.741 29.262 33.846 1.00 43.40 O +ATOM 454 CB ARG A 63 35.696 28.047 31.466 1.00 44.57 C +ATOM 455 CG ARG A 63 36.574 29.076 32.214 1.00 44.14 C +ATOM 456 CD ARG A 63 36.119 30.511 32.032 1.00 44.02 C +ATOM 457 NE ARG A 63 37.160 31.461 32.432 1.00 44.55 N +ATOM 458 CZ ARG A 63 37.010 32.791 32.415 1.00 44.97 C +ATOM 459 NH1 ARG A 63 35.860 33.338 32.031 1.00 44.74 N +ATOM 460 NH2 ARG A 63 38.025 33.588 32.733 1.00 44.55 N +ATOM 461 N ASP A 64 34.286 27.104 34.017 1.00 44.17 N +ATOM 462 CA ASP A 64 34.124 26.890 35.488 1.00 42.56 C +ATOM 463 C ASP A 64 35.439 26.196 35.840 1.00 41.82 C +ATOM 464 O ASP A 64 36.340 26.117 35.000 1.00 41.06 O +ATOM 465 CB ASP A 64 33.012 25.817 35.664 1.00 43.47 C +ATOM 466 CG ASP A 64 32.251 25.971 36.906 1.00 45.55 C +ATOM 467 OD1 ASP A 64 32.377 27.055 37.470 1.00 48.85 O +ATOM 468 OD2 ASP A 64 31.519 25.037 37.333 1.00 48.67 O +ATOM 469 N THR A 65 35.531 25.634 37.045 1.00 40.52 N +ATOM 470 CA THR A 65 36.710 24.865 37.397 1.00 38.87 C +ATOM 471 C THR A 65 36.424 23.398 37.012 1.00 39.21 C +ATOM 472 O THR A 65 37.254 22.498 37.252 1.00 38.95 O +ATOM 473 CB THR A 65 37.050 24.922 38.900 1.00 38.97 C +ATOM 474 OG1 THR A 65 36.005 24.299 39.649 1.00 39.26 O +ATOM 475 CG2 THR A 65 37.260 26.365 39.352 1.00 37.46 C +ATOM 476 N THR A 66 35.241 23.145 36.432 1.00 38.20 N +ATOM 477 CA THR A 66 34.928 21.793 35.976 1.00 36.69 C +ATOM 478 C THR A 66 34.189 21.746 34.658 1.00 35.47 C +ATOM 479 O THR A 66 33.808 20.692 34.249 1.00 34.89 O +ATOM 480 CB THR A 66 34.112 20.974 37.014 1.00 38.61 C +ATOM 481 OG1 THR A 66 32.765 21.455 37.095 1.00 37.90 O +ATOM 482 CG2 THR A 66 34.777 21.053 38.376 1.00 38.41 C +ATOM 483 N TRP A 67 33.981 22.884 33.992 1.00 36.39 N +ATOM 484 CA TRP A 67 33.288 22.913 32.684 1.00 35.63 C +ATOM 485 C TRP A 67 33.842 23.946 31.725 1.00 35.92 C +ATOM 486 O TRP A 67 34.479 24.911 32.140 1.00 37.76 O +ATOM 487 CB TRP A 67 31.804 23.271 32.794 1.00 34.22 C +ATOM 488 CG TRP A 67 30.992 22.458 33.734 1.00 34.48 C +ATOM 489 CD1 TRP A 67 30.578 22.832 34.993 1.00 31.20 C +ATOM 490 CD2 TRP A 67 30.428 21.159 33.482 1.00 32.64 C +ATOM 491 NE1 TRP A 67 29.783 21.848 35.525 1.00 34.53 N +ATOM 492 CE2 TRP A 67 29.669 20.806 34.623 1.00 33.00 C +ATOM 493 CE3 TRP A 67 30.488 20.259 32.398 1.00 31.85 C +ATOM 494 CZ2 TRP A 67 28.970 19.577 34.734 1.00 30.73 C +ATOM 495 CZ3 TRP A 67 29.783 19.021 32.510 1.00 31.75 C +ATOM 496 CH2 TRP A 67 29.038 18.707 33.677 1.00 31.52 C +ATOM 497 N PHE A 68 33.584 23.721 30.440 1.00 36.63 N +ATOM 498 CA PHE A 68 33.933 24.636 29.367 1.00 38.48 C +ATOM 499 C PHE A 68 32.763 24.479 28.413 1.00 39.39 C +ATOM 500 O PHE A 68 32.284 23.373 28.175 1.00 38.33 O +ATOM 501 CB PHE A 68 35.209 24.277 28.630 1.00 39.52 C +ATOM 502 CG PHE A 68 35.419 25.116 27.375 1.00 41.31 C +ATOM 503 CD1 PHE A 68 35.382 24.539 26.103 1.00 41.29 C +ATOM 504 CD2 PHE A 68 35.631 26.489 27.475 1.00 41.18 C +ATOM 505 CE1 PHE A 68 35.559 25.339 24.953 1.00 42.68 C +ATOM 506 CE2 PHE A 68 35.804 27.288 26.333 1.00 42.63 C +ATOM 507 CZ PHE A 68 35.768 26.715 25.072 1.00 41.72 C +ATOM 508 N THR A 69 32.283 25.589 27.877 1.00 41.41 N +ATOM 509 CA THR A 69 31.125 25.521 27.008 1.00 43.08 C +ATOM 510 C THR A 69 31.247 26.613 25.980 1.00 44.17 C +ATOM 511 O THR A 69 31.951 27.619 26.195 1.00 45.00 O +ATOM 512 CB THR A 69 29.821 25.809 27.816 1.00 43.31 C +ATOM 513 OG1 THR A 69 29.907 27.142 28.325 1.00 46.54 O +ATOM 514 CG2 THR A 69 29.663 24.881 29.012 1.00 39.33 C +ATOM 515 N PHE A 70 30.588 26.415 24.852 1.00 45.06 N +ATOM 516 CA PHE A 70 30.574 27.452 23.842 1.00 46.22 C +ATOM 517 C PHE A 70 29.321 27.284 22.991 1.00 47.49 C +ATOM 518 O PHE A 70 28.690 26.214 22.962 1.00 46.04 O +ATOM 519 CB PHE A 70 31.862 27.486 22.993 1.00 45.20 C +ATOM 520 CG PHE A 70 32.077 26.277 22.130 1.00 45.17 C +ATOM 521 CD1 PHE A 70 31.307 26.067 20.985 1.00 46.03 C +ATOM 522 CD2 PHE A 70 33.075 25.336 22.458 1.00 45.70 C +ATOM 523 CE1 PHE A 70 31.523 24.941 20.181 1.00 46.52 C +ATOM 524 CE2 PHE A 70 33.304 24.210 21.664 1.00 43.94 C +ATOM 525 CZ PHE A 70 32.540 24.007 20.536 1.00 45.34 C +ATOM 526 N GLU A 71 28.923 28.391 22.376 1.00 49.61 N +ATOM 527 CA GLU A 71 27.753 28.441 21.529 1.00 52.66 C +ATOM 528 C GLU A 71 28.317 28.697 20.148 1.00 53.73 C +ATOM 529 O GLU A 71 29.129 29.619 19.976 1.00 54.04 O +ATOM 530 CB GLU A 71 26.857 29.594 21.972 1.00 55.08 C +ATOM 531 CG GLU A 71 25.526 29.162 22.607 1.00 60.56 C +ATOM 532 CD GLU A 71 24.888 30.248 23.522 1.00 63.70 C +ATOM 533 OE1 GLU A 71 24.702 31.423 23.066 1.00 65.55 O +ATOM 534 OE2 GLU A 71 24.568 29.904 24.696 1.00 63.34 O +ATOM 535 N ALA A 72 27.932 27.859 19.182 1.00 54.77 N +ATOM 536 CA ALA A 72 28.404 27.993 17.802 1.00 55.67 C +ATOM 537 C ALA A 72 27.367 28.669 16.909 1.00 56.53 C +ATOM 538 O ALA A 72 26.146 28.427 17.032 1.00 56.39 O +ATOM 539 CB ALA A 72 28.746 26.628 17.220 1.00 54.84 C +ATOM 540 N GLY A 73 27.860 29.507 16.000 1.00 57.19 N +ATOM 541 CA GLY A 73 26.977 30.170 15.066 1.00 58.51 C +ATOM 542 C GLY A 73 26.508 29.210 13.975 1.00 59.14 C +ATOM 543 O GLY A 73 26.692 27.998 14.071 1.00 56.70 O +ATOM 544 N ARG A 74 25.915 29.766 12.920 1.00 61.38 N +ATOM 545 CA ARG A 74 25.393 28.957 11.825 1.00 62.83 C +ATOM 546 C ARG A 74 26.459 28.524 10.810 1.00 61.23 C +ATOM 547 O ARG A 74 26.332 27.452 10.204 1.00 59.38 O +ATOM 548 CB ARG A 74 24.298 29.728 11.098 1.00 65.99 C +ATOM 549 CG ARG A 74 22.934 29.045 11.067 1.00 71.69 C +ATOM 550 CD ARG A 74 22.044 29.495 12.218 1.00 74.89 C +ATOM 551 NE ARG A 74 22.356 30.861 12.661 1.00 79.13 N +ATOM 552 CZ ARG A 74 22.306 31.958 11.897 1.00 80.89 C +ATOM 553 NH1 ARG A 74 21.944 31.868 10.619 1.00 81.42 N +ATOM 554 NH2 ARG A 74 22.646 33.150 12.409 1.00 82.14 N +ATOM 563 N CYS A 76 29.246 26.879 10.343 1.00 58.90 N +ATOM 564 CA CYS A 76 30.145 25.824 10.796 1.00 58.12 C +ATOM 565 C CYS A 76 29.478 24.496 10.484 1.00 58.00 C +ATOM 566 O CYS A 76 28.299 24.453 10.113 1.00 57.01 O +ATOM 567 CB CYS A 76 30.425 25.934 12.317 1.00 57.90 C +ATOM 568 SG CYS A 76 29.076 25.336 13.402 1.00 57.66 S +ATOM 569 N GLU A 77 30.224 23.409 10.661 1.00 58.44 N +ATOM 570 CA GLU A 77 29.686 22.095 10.366 1.00 59.00 C +ATOM 571 C GLU A 77 28.447 21.701 11.182 1.00 59.25 C +ATOM 572 O GLU A 77 27.380 21.427 10.616 1.00 59.92 O +ATOM 573 CB GLU A 77 30.767 21.062 10.546 1.00 60.25 C +ATOM 574 CG GLU A 77 30.694 19.973 9.511 1.00 62.65 C +ATOM 575 CD GLU A 77 31.564 18.786 9.873 1.00 66.21 C +ATOM 576 OE1 GLU A 77 32.768 18.993 10.237 1.00 67.16 O +ATOM 577 OE2 GLU A 77 31.033 17.645 9.795 1.00 67.86 O +ATOM 578 N THR A 78 28.575 21.652 12.506 1.00 58.50 N +ATOM 579 CA THR A 78 27.430 21.299 13.349 1.00 57.98 C +ATOM 580 C THR A 78 26.277 22.309 13.157 1.00 58.65 C +ATOM 581 O THR A 78 25.096 21.987 13.353 1.00 57.81 O +ATOM 582 CB THR A 78 27.830 21.311 14.829 1.00 56.78 C +ATOM 583 OG1 THR A 78 28.372 22.600 15.167 1.00 55.61 O +ATOM 584 CG2 THR A 78 28.869 20.271 15.091 1.00 56.56 C +ATOM 585 N GLY A 79 26.646 23.528 12.759 1.00 58.29 N +ATOM 586 CA GLY A 79 25.664 24.564 12.600 1.00 57.25 C +ATOM 587 C GLY A 79 25.489 25.120 13.997 1.00 57.78 C +ATOM 588 O GLY A 79 26.253 24.782 14.913 1.00 56.43 O +ATOM 589 N GLU A 80 24.480 25.972 14.148 1.00 58.37 N +ATOM 590 CA GLU A 80 24.131 26.630 15.400 1.00 58.14 C +ATOM 591 C GLU A 80 23.947 25.593 16.518 1.00 56.77 C +ATOM 592 O GLU A 80 23.266 24.568 16.338 1.00 57.81 O +ATOM 593 CB GLU A 80 22.828 27.427 15.169 1.00 61.56 C +ATOM 594 CG GLU A 80 22.208 28.189 16.364 1.00 67.20 C +ATOM 595 CD GLU A 80 21.012 29.095 15.940 1.00 71.34 C +ATOM 596 OE1 GLU A 80 20.247 29.591 16.829 1.00 71.57 O +ATOM 597 OE2 GLU A 80 20.835 29.317 14.704 1.00 72.86 O +ATOM 598 N GLY A 81 24.553 25.855 17.672 1.00 53.46 N +ATOM 599 CA GLY A 81 24.389 24.936 18.783 1.00 49.60 C +ATOM 600 C GLY A 81 25.175 25.217 20.059 1.00 46.93 C +ATOM 601 O GLY A 81 26.076 26.053 20.090 1.00 46.70 O +ATOM 602 N LEU A 82 24.833 24.479 21.109 1.00 45.14 N +ATOM 603 CA LEU A 82 25.474 24.579 22.424 1.00 43.45 C +ATOM 604 C LEU A 82 26.400 23.351 22.733 1.00 42.56 C +ATOM 605 O LEU A 82 25.977 22.193 22.571 1.00 41.92 O +ATOM 606 CB LEU A 82 24.357 24.650 23.457 1.00 43.27 C +ATOM 607 CG LEU A 82 24.798 24.761 24.908 1.00 45.94 C +ATOM 608 CD1 LEU A 82 25.529 26.117 25.065 1.00 46.95 C +ATOM 609 CD2 LEU A 82 23.596 24.652 25.857 1.00 44.91 C +ATOM 610 N PHE A 83 27.643 23.558 23.179 1.00 40.91 N +ATOM 611 CA PHE A 83 28.477 22.372 23.496 1.00 40.64 C +ATOM 612 C PHE A 83 29.072 22.453 24.874 1.00 38.83 C +ATOM 613 O PHE A 83 29.787 23.406 25.195 1.00 37.32 O +ATOM 614 CB PHE A 83 29.568 22.144 22.429 1.00 42.95 C +ATOM 615 CG PHE A 83 28.998 22.037 21.056 1.00 44.73 C +ATOM 616 CD1 PHE A 83 28.848 23.191 20.257 1.00 44.18 C +ATOM 617 CD2 PHE A 83 28.387 20.834 20.644 1.00 44.87 C +ATOM 618 CE1 PHE A 83 28.068 23.146 19.072 1.00 44.21 C +ATOM 619 CE2 PHE A 83 27.604 20.771 19.465 1.00 44.53 C +ATOM 620 CZ PHE A 83 27.446 21.930 18.681 1.00 43.81 C +ATOM 621 N ILE A 84 28.761 21.440 25.680 1.00 37.67 N +ATOM 622 CA ILE A 84 29.225 21.391 27.073 1.00 38.31 C +ATOM 623 C ILE A 84 30.290 20.335 27.301 1.00 37.30 C +ATOM 624 O ILE A 84 30.076 19.183 26.988 1.00 38.47 O +ATOM 625 CB ILE A 84 28.041 21.088 28.047 1.00 37.00 C +ATOM 626 CG1 ILE A 84 26.923 22.116 27.809 1.00 36.82 C +ATOM 627 CG2 ILE A 84 28.508 21.179 29.484 1.00 34.34 C +ATOM 628 CD1 ILE A 84 25.567 21.674 28.290 1.00 34.88 C +ATOM 629 N PHE A 85 31.428 20.721 27.864 1.00 36.09 N +ATOM 630 CA PHE A 85 32.496 19.769 28.110 1.00 33.69 C +ATOM 631 C PHE A 85 32.868 19.761 29.568 1.00 35.65 C +ATOM 632 O PHE A 85 33.076 20.836 30.154 1.00 35.83 O +ATOM 633 CB PHE A 85 33.775 20.176 27.393 1.00 30.70 C +ATOM 634 CG PHE A 85 33.632 20.318 25.929 1.00 31.35 C +ATOM 635 CD1 PHE A 85 32.999 21.430 25.380 1.00 29.99 C +ATOM 636 CD2 PHE A 85 34.177 19.339 25.064 1.00 30.49 C +ATOM 637 CE1 PHE A 85 32.913 21.576 23.978 1.00 29.86 C +ATOM 638 CE2 PHE A 85 34.094 19.479 23.690 1.00 31.76 C +ATOM 639 CZ PHE A 85 33.459 20.606 23.140 1.00 31.31 C +ATOM 640 N GLN A 86 33.017 18.580 30.169 1.00 35.33 N +ATOM 641 CA GLN A 86 33.502 18.590 31.532 1.00 35.13 C +ATOM 642 C GLN A 86 35.027 18.498 31.432 1.00 33.57 C +ATOM 643 O GLN A 86 35.543 17.653 30.729 1.00 33.23 O +ATOM 644 CB GLN A 86 32.976 17.407 32.293 1.00 37.54 C +ATOM 645 CG GLN A 86 32.698 17.804 33.730 1.00 42.58 C +ATOM 646 CD GLN A 86 33.020 16.707 34.644 1.00 46.69 C +ATOM 647 OE1 GLN A 86 34.022 15.964 34.430 1.00 49.47 O +ATOM 648 NE2 GLN A 86 32.191 16.550 35.686 1.00 50.02 N +ATOM 649 N THR A 87 35.751 19.345 32.137 1.00 33.99 N +ATOM 650 CA THR A 87 37.226 19.350 32.074 1.00 36.11 C +ATOM 651 C THR A 87 37.763 20.089 33.285 1.00 37.95 C +ATOM 652 O THR A 87 37.009 20.835 33.945 1.00 37.85 O +ATOM 653 CB THR A 87 37.727 20.117 30.829 1.00 35.36 C +ATOM 654 OG1 THR A 87 39.061 20.554 31.042 1.00 36.02 O +ATOM 655 CG2 THR A 87 36.929 21.345 30.630 1.00 35.95 C +ATOM 656 N ARG A 88 39.048 19.888 33.582 1.00 40.85 N +ATOM 657 CA ARG A 88 39.694 20.547 34.724 1.00 44.23 C +ATOM 658 C ARG A 88 40.480 21.705 34.170 1.00 45.95 C +ATOM 659 O ARG A 88 40.994 22.546 34.927 1.00 46.71 O +ATOM 660 CB ARG A 88 40.677 19.622 35.410 1.00 47.11 C +ATOM 661 CG ARG A 88 40.092 18.260 35.814 1.00 53.94 C +ATOM 662 CD ARG A 88 39.227 18.327 37.107 1.00 60.05 C +ATOM 663 NE ARG A 88 39.207 17.030 37.815 1.00 64.31 N +ATOM 664 CZ ARG A 88 40.307 16.331 38.136 1.00 65.72 C +ATOM 665 NH1 ARG A 88 41.521 16.817 37.812 1.00 62.67 N +ATOM 666 NH2 ARG A 88 40.188 15.141 38.770 1.00 65.21 N +ATOM 667 N ASP A 89 40.544 21.760 32.838 1.00 45.88 N +ATOM 668 CA ASP A 89 41.299 22.784 32.138 1.00 45.58 C +ATOM 669 C ASP A 89 40.478 23.867 31.517 1.00 45.41 C +ATOM 670 O ASP A 89 40.944 24.555 30.594 1.00 48.21 O +ATOM 671 CB ASP A 89 42.192 22.100 31.112 1.00 47.31 C +ATOM 672 CG ASP A 89 43.125 21.091 31.783 1.00 49.82 C +ATOM 673 OD1 ASP A 89 43.942 21.542 32.637 1.00 50.20 O +ATOM 674 OD2 ASP A 89 43.028 19.865 31.502 1.00 50.53 O +ATOM 675 N GLY A 90 39.270 24.045 32.046 1.00 43.21 N +ATOM 676 CA GLY A 90 38.401 25.089 31.573 1.00 40.94 C +ATOM 677 C GLY A 90 39.131 26.399 31.468 1.00 41.10 C +ATOM 678 O GLY A 90 38.992 27.057 30.447 1.00 41.99 O +ATOM 679 N GLU A 91 39.927 26.794 32.463 1.00 42.57 N +ATOM 680 CA GLU A 91 40.625 28.094 32.364 1.00 44.67 C +ATOM 681 C GLU A 91 41.606 28.142 31.247 1.00 44.67 C +ATOM 682 O GLU A 91 41.583 29.059 30.448 1.00 45.63 O +ATOM 683 CB GLU A 91 41.403 28.484 33.618 1.00 45.97 C +ATOM 684 CG GLU A 91 40.826 29.638 34.448 1.00 50.73 C +ATOM 685 CD GLU A 91 40.758 31.028 33.756 1.00 53.48 C +ATOM 686 OE1 GLU A 91 41.832 31.592 33.373 1.00 55.37 O +ATOM 687 OE2 GLU A 91 39.610 31.570 33.637 1.00 52.91 O +ATOM 688 N ALA A 92 42.494 27.165 31.192 1.00 45.56 N +ATOM 689 CA ALA A 92 43.499 27.162 30.143 1.00 45.95 C +ATOM 690 C ALA A 92 42.819 27.084 28.772 1.00 46.52 C +ATOM 691 O ALA A 92 43.205 27.782 27.822 1.00 48.35 O +ATOM 692 CB ALA A 92 44.440 26.004 30.363 1.00 45.32 C +ATOM 693 N ILE A 93 41.779 26.267 28.658 1.00 45.64 N +ATOM 694 CA ILE A 93 41.102 26.189 27.371 1.00 46.29 C +ATOM 695 C ILE A 93 40.488 27.510 26.959 1.00 47.57 C +ATOM 696 O ILE A 93 40.609 27.923 25.816 1.00 48.26 O +ATOM 697 CB ILE A 93 40.009 25.138 27.369 1.00 43.69 C +ATOM 698 CG1 ILE A 93 40.653 23.757 27.527 1.00 41.88 C +ATOM 699 CG2 ILE A 93 39.206 25.277 26.116 1.00 39.94 C +ATOM 700 CD1 ILE A 93 39.694 22.643 27.703 1.00 41.45 C +ATOM 701 N TYR A 94 39.826 28.176 27.891 1.00 49.12 N +ATOM 702 CA TYR A 94 39.221 29.452 27.574 1.00 50.07 C +ATOM 703 C TYR A 94 40.199 30.588 27.198 1.00 49.65 C +ATOM 704 O TYR A 94 39.928 31.304 26.233 1.00 48.04 O +ATOM 705 CB TYR A 94 38.331 29.880 28.719 1.00 52.06 C +ATOM 706 CG TYR A 94 37.879 31.323 28.642 1.00 54.50 C +ATOM 707 CD1 TYR A 94 38.738 32.379 29.015 1.00 56.34 C +ATOM 708 CD2 TYR A 94 36.597 31.638 28.242 1.00 53.99 C +ATOM 709 CE1 TYR A 94 38.309 33.719 28.987 1.00 56.35 C +ATOM 710 CE2 TYR A 94 36.163 32.957 28.219 1.00 56.13 C +ATOM 711 CZ TYR A 94 37.013 33.988 28.588 1.00 56.27 C +ATOM 712 OH TYR A 94 36.547 35.278 28.546 1.00 59.37 O +ATOM 713 N GLN A 95 41.300 30.781 27.935 1.00 49.28 N +ATOM 714 CA GLN A 95 42.271 31.834 27.555 1.00 51.11 C +ATOM 715 C GLN A 95 42.855 31.543 26.137 1.00 53.29 C +ATOM 716 O GLN A 95 42.991 32.464 25.288 1.00 53.52 O +ATOM 717 CB GLN A 95 43.458 31.943 28.540 1.00 49.07 C +ATOM 718 CG GLN A 95 43.154 32.086 30.028 1.00 45.95 C +ATOM 719 CD GLN A 95 42.253 33.275 30.376 1.00 47.51 C +ATOM 720 OE1 GLN A 95 42.154 34.283 29.618 1.00 44.29 O +ATOM 721 NE2 GLN A 95 41.591 33.177 31.553 1.00 45.77 N +ATOM 722 N LYS A 96 43.225 30.278 25.885 1.00 54.68 N +ATOM 723 CA LYS A 96 43.745 29.915 24.563 1.00 55.18 C +ATOM 724 C LYS A 96 42.731 30.307 23.512 1.00 54.31 C +ATOM 725 O LYS A 96 43.078 30.917 22.488 1.00 55.27 O +ATOM 726 CB LYS A 96 43.995 28.411 24.448 1.00 56.37 C +ATOM 727 CG LYS A 96 45.246 27.952 25.160 1.00 59.55 C +ATOM 728 CD LYS A 96 46.333 27.463 24.184 1.00 62.61 C +ATOM 729 CE LYS A 96 46.005 26.057 23.559 1.00 65.16 C +ATOM 730 NZ LYS A 96 47.130 25.375 22.718 1.00 65.02 N +ATOM 731 N VAL A 97 41.476 29.959 23.772 1.00 53.53 N +ATOM 732 CA VAL A 97 40.385 30.235 22.833 1.00 53.79 C +ATOM 733 C VAL A 97 40.139 31.719 22.659 1.00 54.47 C +ATOM 734 O VAL A 97 39.996 32.203 21.547 1.00 55.69 O +ATOM 735 CB VAL A 97 39.063 29.524 23.272 1.00 53.01 C +ATOM 736 CG1 VAL A 97 37.894 30.057 22.500 1.00 51.57 C +ATOM 737 CG2 VAL A 97 39.172 28.038 23.028 1.00 52.08 C +ATOM 738 N HIS A 98 40.081 32.456 23.752 1.00 55.22 N +ATOM 739 CA HIS A 98 39.875 33.886 23.648 1.00 55.35 C +ATOM 740 C HIS A 98 41.072 34.447 22.870 1.00 55.79 C +ATOM 741 O HIS A 98 40.925 35.107 21.837 1.00 55.13 O +ATOM 742 CB HIS A 98 39.848 34.480 25.039 1.00 57.19 C +ATOM 743 CG HIS A 98 39.328 35.877 25.086 1.00 58.91 C +ATOM 744 ND1 HIS A 98 39.714 36.778 26.058 1.00 60.12 N +ATOM 745 CD2 HIS A 98 38.468 36.538 24.276 1.00 59.98 C +ATOM 746 CE1 HIS A 98 39.115 37.936 25.841 1.00 60.90 C +ATOM 747 NE2 HIS A 98 38.354 37.816 24.767 1.00 60.83 N +ATOM 748 N SER A 99 42.263 34.166 23.382 1.00 56.29 N +ATOM 749 CA SER A 99 43.492 34.613 22.762 1.00 57.15 C +ATOM 750 C SER A 99 43.487 34.356 21.247 1.00 58.57 C +ATOM 751 O SER A 99 43.622 35.280 20.442 1.00 58.91 O +ATOM 752 CB SER A 99 44.657 33.883 23.409 1.00 57.49 C +ATOM 753 OG SER A 99 45.876 34.340 22.864 1.00 59.71 O +ATOM 754 N ALA A 100 43.325 33.100 20.848 1.00 58.57 N +ATOM 755 CA ALA A 100 43.300 32.786 19.425 1.00 59.08 C +ATOM 756 C ALA A 100 42.154 33.451 18.653 1.00 59.19 C +ATOM 757 O ALA A 100 42.266 33.704 17.463 1.00 58.45 O +ATOM 758 CB ALA A 100 43.238 31.264 19.229 1.00 59.11 C +ATOM 759 N ALA A 101 41.047 33.730 19.325 1.00 60.13 N +ATOM 760 CA ALA A 101 39.907 34.326 18.646 1.00 61.19 C +ATOM 761 C ALA A 101 40.140 35.775 18.330 1.00 62.12 C +ATOM 762 O ALA A 101 39.721 36.259 17.278 1.00 62.99 O +ATOM 763 CB ALA A 101 38.634 34.181 19.490 1.00 60.55 C +ATOM 764 N LEU A 102 40.781 36.490 19.240 1.00 62.71 N +ATOM 765 CA LEU A 102 41.021 37.891 18.975 1.00 64.60 C +ATOM 766 C LEU A 102 42.121 37.980 17.942 1.00 65.96 C +ATOM 767 O LEU A 102 42.108 38.862 17.086 1.00 66.39 O +ATOM 768 CB LEU A 102 41.403 38.635 20.258 1.00 65.19 C +ATOM 769 CG LEU A 102 40.284 38.645 21.310 1.00 66.55 C +ATOM 770 CD1 LEU A 102 40.550 39.790 22.265 1.00 65.92 C +ATOM 771 CD2 LEU A 102 38.890 38.829 20.642 1.00 66.68 C +ATOM 772 N ALA A 103 43.077 37.056 18.019 1.00 67.17 N +ATOM 773 CA ALA A 103 44.166 37.024 17.058 1.00 67.89 C +ATOM 774 C ALA A 103 43.564 36.799 15.661 1.00 69.62 C +ATOM 775 O ALA A 103 43.804 37.568 14.734 1.00 70.83 O +ATOM 776 CB ALA A 103 45.115 35.899 17.401 1.00 66.37 C +ATOM 777 N ILE A 104 42.770 35.744 15.520 1.00 71.22 N +ATOM 778 CA ILE A 104 42.147 35.434 14.244 1.00 72.88 C +ATOM 779 C ILE A 104 41.261 36.623 13.910 1.00 74.35 C +ATOM 780 O ILE A 104 40.739 36.728 12.796 1.00 75.21 O +ATOM 781 CB ILE A 104 41.336 34.065 14.297 1.00 73.21 C +ATOM 782 CG1 ILE A 104 40.778 33.723 12.919 1.00 73.25 C +ATOM 783 CG2 ILE A 104 40.220 34.122 15.351 1.00 73.18 C +ATOM 784 CD1 ILE A 104 41.815 33.173 11.984 1.00 73.34 C +ATOM 785 N ALA A 105 41.076 37.516 14.880 1.00 76.52 N +ATOM 786 CA ALA A 105 40.320 38.734 14.622 1.00 79.46 C +ATOM 787 C ALA A 105 41.382 39.643 13.926 1.00 81.61 C +ATOM 788 O ALA A 105 41.714 40.768 14.344 1.00 79.84 O +ATOM 789 CB ALA A 105 39.801 39.342 15.932 1.00 78.94 C +ATOM 790 N GLU A 106 41.958 39.046 12.879 1.00 84.35 N +ATOM 791 CA GLU A 106 42.961 39.656 12.012 1.00 86.45 C +ATOM 792 C GLU A 106 42.167 40.731 11.331 1.00 88.50 C +ATOM 793 O GLU A 106 42.496 41.927 11.389 1.00 88.86 O +ATOM 794 CB GLU A 106 43.383 38.666 10.947 1.00 86.58 C +ATOM 795 CG GLU A 106 44.650 39.045 10.275 1.00 86.35 C +ATOM 796 CD GLU A 106 45.755 38.069 10.613 1.00 85.93 C +ATOM 797 OE1 GLU A 106 46.926 38.506 10.695 1.00 85.23 O +ATOM 798 OE2 GLU A 106 45.443 36.868 10.785 1.00 85.47 O +ATOM 799 N LEU A 107 41.106 40.241 10.680 1.00 89.87 N +ATOM 800 CA LEU A 107 40.105 41.027 9.967 1.00 91.09 C +ATOM 801 C LEU A 107 39.313 39.992 9.176 1.00 92.48 C +ATOM 802 O LEU A 107 38.493 39.276 9.808 1.00 93.29 O +ATOM 803 CB LEU A 107 40.754 42.029 9.013 1.00 90.80 C +ATOM 804 CG LEU A 107 40.268 43.467 9.158 1.00 90.60 C +ATOM 805 CD1 LEU A 107 40.674 44.008 10.538 1.00 89.91 C +ATOM 806 CD2 LEU A 107 40.863 44.317 8.029 1.00 90.20 C Added: SwiftApps/modFTdock/input/1j55-1.pdb =================================================================== --- SwiftApps/modFTdock/input/1j55-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/1j55-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,673 @@ +ATOM 1 N MET A 1 39.796 31.203 2.745 1.00 26.79 N +ATOM 2 CA MET A 1 38.534 31.636 3.370 1.00 23.59 C +ATOM 3 C MET A 1 38.930 32.140 4.752 1.00 22.12 C +ATOM 4 O MET A 1 39.698 31.473 5.447 1.00 21.74 O +ATOM 5 CB MET A 1 37.582 30.436 3.439 1.00 26.89 C +ATOM 6 CG MET A 1 36.191 30.710 3.899 1.00 29.88 C +ATOM 7 SD MET A 1 34.984 29.588 3.050 1.00 31.85 S +ATOM 8 CE MET A 1 33.758 30.787 2.636 1.00 32.88 C +ATOM 9 N THR A 2 38.413 33.316 5.133 1.00 20.27 N +ATOM 10 CA THR A 2 38.715 33.931 6.416 1.00 18.53 C +ATOM 11 C THR A 2 37.875 33.320 7.506 1.00 17.89 C +ATOM 12 O THR A 2 36.958 32.574 7.220 1.00 16.97 O +ATOM 13 CB THR A 2 38.422 35.426 6.432 1.00 18.11 C +ATOM 14 OG1 THR A 2 37.023 35.635 6.234 1.00 19.29 O +ATOM 15 CG2 THR A 2 39.205 36.141 5.328 1.00 16.01 C +ATOM 16 N GLU A 3 38.154 33.679 8.759 1.00 16.89 N +ATOM 17 CA GLU A 3 37.353 33.132 9.840 1.00 17.05 C +ATOM 18 C GLU A 3 35.904 33.590 9.754 1.00 14.63 C +ATOM 19 O GLU A 3 34.983 32.794 9.920 1.00 15.71 O +ATOM 20 CB GLU A 3 37.939 33.475 11.237 1.00 15.12 C +ATOM 21 CG GLU A 3 37.127 32.826 12.398 1.00 16.26 C +ATOM 22 CD GLU A 3 37.632 33.201 13.782 1.00 18.35 C +ATOM 23 OE1 GLU A 3 38.620 33.951 13.853 1.00 18.34 O +ATOM 24 OE2 GLU A 3 37.042 32.751 14.797 1.00 19.66 O +ATOM 25 N LEU A 4 35.704 34.868 9.474 1.00 15.92 N +ATOM 26 CA LEU A 4 34.350 35.420 9.410 1.00 16.55 C +ATOM 27 C LEU A 4 33.593 34.889 8.176 1.00 17.82 C +ATOM 28 O LEU A 4 32.411 34.611 8.269 1.00 18.20 O +ATOM 29 CB LEU A 4 34.423 36.962 9.389 1.00 14.48 C +ATOM 30 CG LEU A 4 33.069 37.686 9.349 1.00 16.77 C +ATOM 31 CD1 LEU A 4 32.218 37.241 10.552 1.00 15.69 C +ATOM 32 CD2 LEU A 4 33.304 39.190 9.350 1.00 13.05 C +ATOM 33 N GLU A 5 34.259 34.770 7.019 1.00 18.19 N +ATOM 34 CA GLU A 5 33.569 34.218 5.843 1.00 18.96 C +ATOM 35 C GLU A 5 33.168 32.755 6.126 1.00 17.70 C +ATOM 36 O GLU A 5 32.099 32.287 5.720 1.00 18.58 O +ATOM 37 CB GLU A 5 34.471 34.268 4.604 1.00 19.90 C +ATOM 38 CG GLU A 5 34.718 35.662 4.082 1.00 19.69 C +ATOM 39 CD GLU A 5 35.849 35.750 3.102 1.00 22.13 C +ATOM 40 OE1 GLU A 5 36.819 34.965 3.216 1.00 23.31 O +ATOM 41 OE2 GLU A 5 35.802 36.638 2.228 1.00 24.27 O +ATOM 42 N THR A 6 34.021 32.051 6.854 1.00 17.51 N +ATOM 43 CA THR A 6 33.742 30.649 7.198 1.00 15.03 C +ATOM 44 C THR A 6 32.504 30.566 8.105 1.00 14.77 C +ATOM 45 O THR A 6 31.649 29.658 7.950 1.00 14.28 O +ATOM 46 CB THR A 6 35.011 29.992 7.909 1.00 14.22 C +ATOM 47 OG1 THR A 6 36.144 29.972 7.014 1.00 13.43 O +ATOM 48 CG2 THR A 6 34.712 28.618 8.336 1.00 14.44 C +ATOM 49 N ALA A 7 32.407 31.489 9.074 1.00 14.29 N +ATOM 50 CA ALA A 7 31.248 31.500 9.982 1.00 14.53 C +ATOM 51 C ALA A 7 29.983 31.752 9.164 1.00 13.34 C +ATOM 52 O ALA A 7 28.978 31.090 9.361 1.00 15.13 O +ATOM 53 CB ALA A 7 31.380 32.606 11.113 1.00 13.86 C +ATOM 54 N MET A 8 30.038 32.701 8.243 1.00 12.54 N +ATOM 55 CA MET A 8 28.881 32.975 7.399 1.00 15.52 C +ATOM 56 C MET A 8 28.531 31.736 6.540 1.00 15.98 C +ATOM 57 O MET A 8 27.363 31.414 6.334 1.00 14.17 O +ATOM 58 CB MET A 8 29.185 34.168 6.466 1.00 15.67 C +ATOM 59 CG MET A 8 29.435 35.442 7.205 1.00 17.25 C +ATOM 60 SD MET A 8 30.224 36.670 6.139 1.00 23.61 S +ATOM 61 CE MET A 8 29.146 36.746 4.844 1.00 24.28 C +ATOM 62 N GLY A 9 29.548 31.076 6.005 1.00 14.54 N +ATOM 63 CA GLY A 9 29.266 29.896 5.205 1.00 16.52 C +ATOM 64 C GLY A 9 28.656 28.778 6.055 1.00 16.35 C +ATOM 65 O GLY A 9 27.854 27.950 5.597 1.00 16.65 O +ATOM 66 N MET A 10 29.062 28.747 7.309 1.00 15.73 N +ATOM 67 CA MET A 10 28.573 27.747 8.223 1.00 16.46 C +ATOM 68 C MET A 10 27.080 27.950 8.575 1.00 15.76 C +ATOM 69 O MET A 10 26.341 26.995 8.788 1.00 15.45 O +ATOM 70 CB MET A 10 29.453 27.776 9.480 1.00 18.92 C +ATOM 71 CG MET A 10 29.450 26.520 10.302 1.00 19.55 C +ATOM 72 SD MET A 10 30.816 26.627 11.582 1.00 27.36 S +ATOM 73 CE MET A 10 32.117 27.043 10.608 1.00 15.81 C +ATOM 74 N ILE A 11 26.628 29.189 8.656 1.00 15.04 N +ATOM 75 CA ILE A 11 25.207 29.409 8.970 1.00 14.55 C +ATOM 76 C ILE A 11 24.399 28.993 7.739 1.00 13.93 C +ATOM 77 O ILE A 11 23.363 28.330 7.830 1.00 13.18 O +ATOM 78 CB ILE A 11 24.979 30.911 9.317 1.00 15.46 C +ATOM 79 CG1 ILE A 11 25.762 31.240 10.589 1.00 16.16 C +ATOM 80 CG2 ILE A 11 23.477 31.228 9.556 1.00 13.69 C +ATOM 81 CD1 ILE A 11 25.781 32.699 10.884 1.00 19.90 C +ATOM 82 N ILE A 12 24.894 29.354 6.564 1.00 12.81 N +ATOM 83 CA ILE A 12 24.194 28.950 5.365 1.00 14.93 C +ATOM 84 C ILE A 12 24.166 27.417 5.288 1.00 13.44 C +ATOM 85 O ILE A 12 23.143 26.832 4.922 1.00 14.03 O +ATOM 86 CB ILE A 12 24.870 29.542 4.090 1.00 14.22 C +ATOM 87 CG1 ILE A 12 24.598 31.054 4.022 1.00 15.90 C +ATOM 88 CG2 ILE A 12 24.353 28.825 2.802 1.00 15.97 C +ATOM 89 CD1 ILE A 12 25.773 31.817 3.469 1.00 16.81 C +ATOM 90 N ASP A 13 25.278 26.786 5.650 1.00 14.96 N +ATOM 91 CA ASP A 13 25.398 25.309 5.594 1.00 15.21 C +ATOM 92 C ASP A 13 24.336 24.725 6.506 1.00 14.88 C +ATOM 93 O ASP A 13 23.566 23.849 6.090 1.00 14.53 O +ATOM 94 CB ASP A 13 26.798 24.837 6.067 1.00 15.00 C +ATOM 95 CG ASP A 13 26.983 23.335 5.924 1.00 17.72 C +ATOM 96 OD1 ASP A 13 26.750 22.836 4.797 1.00 14.71 O +ATOM 97 OD2 ASP A 13 27.350 22.668 6.933 1.00 20.49 O +ATOM 98 N VAL A 14 24.291 25.216 7.744 1.00 14.93 N +ATOM 99 CA VAL A 14 23.300 24.716 8.700 1.00 15.13 C +ATOM 100 C VAL A 14 21.911 24.849 8.141 1.00 14.82 C +ATOM 101 O VAL A 14 21.166 23.858 8.091 1.00 16.40 O +ATOM 102 CB VAL A 14 23.385 25.433 10.060 1.00 16.99 C +ATOM 103 CG1 VAL A 14 22.176 25.101 10.922 1.00 14.22 C +ATOM 104 CG2 VAL A 14 24.667 25.022 10.794 1.00 15.88 C +ATOM 105 N PHE A 15 21.551 26.035 7.674 1.00 13.74 N +ATOM 106 CA PHE A 15 20.208 26.180 7.106 1.00 16.35 C +ATOM 107 C PHE A 15 19.853 25.167 5.991 1.00 16.67 C +ATOM 108 O PHE A 15 18.776 24.538 6.010 1.00 16.99 O +ATOM 109 CB PHE A 15 20.015 27.580 6.570 1.00 16.33 C +ATOM 110 CG PHE A 15 18.642 27.853 6.100 1.00 14.22 C +ATOM 111 CD1 PHE A 15 17.686 28.369 6.971 1.00 16.25 C +ATOM 112 CD2 PHE A 15 18.323 27.687 4.787 1.00 15.27 C +ATOM 113 CE1 PHE A 15 16.409 28.732 6.533 1.00 15.10 C +ATOM 114 CE2 PHE A 15 17.058 28.041 4.319 1.00 18.84 C +ATOM 115 CZ PHE A 15 16.084 28.578 5.219 1.00 16.31 C +ATOM 116 N SER A 16 20.760 25.003 5.039 1.00 16.97 N +ATOM 117 CA SER A 16 20.533 24.088 3.927 1.00 19.72 C +ATOM 118 C SER A 16 20.408 22.640 4.365 1.00 18.18 C +ATOM 119 O SER A 16 19.718 21.886 3.706 1.00 17.39 O +ATOM 120 CB SER A 16 21.644 24.180 2.867 1.00 20.55 C +ATOM 121 OG SER A 16 22.783 23.466 3.333 1.00 27.05 O +ATOM 122 N ARG A 17 21.056 22.237 5.461 1.00 19.39 N +ATOM 123 CA ARG A 17 20.930 20.849 5.940 1.00 19.45 C +ATOM 124 C ARG A 17 19.530 20.499 6.463 1.00 18.43 C +ATOM 125 O ARG A 17 19.169 19.316 6.562 1.00 18.84 O +ATOM 126 CB ARG A 17 21.941 20.513 7.063 1.00 20.28 C +ATOM 127 CG ARG A 17 23.448 20.417 6.628 1.00 25.94 C +ATOM 128 CD ARG A 17 24.473 20.357 7.819 1.00 25.97 C +ATOM 129 NE ARG A 17 25.797 20.376 7.232 1.00 31.25 N +ATOM 130 CZ ARG A 17 26.422 19.271 6.809 1.00 34.44 C +ATOM 131 NH1 ARG A 17 25.835 18.079 6.956 1.00 32.37 N +ATOM 132 NH2 ARG A 17 27.591 19.350 6.158 1.00 34.93 N +ATOM 133 N TYR A 18 18.722 21.491 6.782 1.00 17.73 N +ATOM 134 CA TYR A 18 17.417 21.174 7.337 1.00 18.20 C +ATOM 135 C TYR A 18 16.230 21.665 6.536 1.00 19.71 C +ATOM 136 O TYR A 18 15.112 21.277 6.826 1.00 19.32 O +ATOM 137 CB TYR A 18 17.280 21.741 8.759 1.00 20.12 C +ATOM 138 CG TYR A 18 18.306 21.227 9.719 1.00 18.89 C +ATOM 139 CD1 TYR A 18 19.569 21.820 9.795 1.00 18.93 C +ATOM 140 CD2 TYR A 18 18.062 20.071 10.485 1.00 20.45 C +ATOM 141 CE1 TYR A 18 20.581 21.282 10.604 1.00 20.28 C +ATOM 142 CE2 TYR A 18 19.076 19.519 11.309 1.00 20.99 C +ATOM 143 CZ TYR A 18 20.333 20.136 11.355 1.00 21.52 C +ATOM 144 OH TYR A 18 21.329 19.631 12.152 1.00 20.54 O +ATOM 145 N SER A 19 16.468 22.531 5.559 1.00 18.42 N +ATOM 146 CA SER A 19 15.381 23.115 4.803 1.00 20.30 C +ATOM 147 C SER A 19 14.939 22.316 3.601 1.00 19.64 C +ATOM 148 O SER A 19 14.011 22.737 2.939 1.00 19.82 O +ATOM 149 CB SER A 19 15.803 24.508 4.301 1.00 20.83 C +ATOM 150 OG SER A 19 16.957 24.357 3.495 1.00 16.51 O +ATOM 151 N GLY A 20 15.614 21.191 3.340 1.00 19.84 N +ATOM 152 CA GLY A 20 15.318 20.363 2.183 1.00 21.15 C +ATOM 153 C GLY A 20 14.486 19.104 2.362 1.00 22.50 C +ATOM 154 O GLY A 20 14.238 18.408 1.404 1.00 24.16 O +ATOM 155 N SER A 21 14.014 18.799 3.558 1.00 24.54 N +ATOM 156 CA SER A 21 13.247 17.575 3.689 1.00 25.24 C +ATOM 157 C SER A 21 11.757 17.691 3.297 1.00 24.91 C +ATOM 158 O SER A 21 11.105 16.685 3.016 1.00 26.06 O +ATOM 159 CB SER A 21 13.458 16.980 5.105 1.00 27.26 C +ATOM 160 OG SER A 21 13.046 17.847 6.140 1.00 30.83 O +ATOM 161 N GLU A 22 11.202 18.901 3.252 1.00 22.93 N +ATOM 162 CA GLU A 22 9.807 19.030 2.817 1.00 21.30 C +ATOM 163 C GLU A 22 9.481 20.426 2.327 1.00 19.62 C +ATOM 164 O GLU A 22 10.092 21.411 2.756 1.00 14.67 O +ATOM 165 CB GLU A 22 8.801 18.600 3.919 1.00 23.72 C +ATOM 166 CG GLU A 22 8.280 19.704 4.769 1.00 22.89 C +ATOM 167 CD GLU A 22 7.253 19.251 5.816 1.00 27.46 C +ATOM 168 OE1 GLU A 22 7.410 19.683 6.982 1.00 22.38 O +ATOM 169 OE2 GLU A 22 6.284 18.498 5.494 1.00 26.35 O +ATOM 170 N GLY A 23 8.536 20.479 1.388 1.00 20.42 N +ATOM 171 CA GLY A 23 8.093 21.737 0.791 1.00 19.67 C +ATOM 172 C GLY A 23 9.262 22.430 0.113 1.00 19.52 C +ATOM 173 O GLY A 23 10.163 21.775 -0.363 1.00 18.70 O +ATOM 174 N SER A 24 9.252 23.752 0.087 1.00 19.04 N +ATOM 175 CA SER A 24 10.321 24.490 -0.554 1.00 20.24 C +ATOM 176 C SER A 24 11.672 24.146 0.041 1.00 18.91 C +ATOM 177 O SER A 24 11.803 24.049 1.253 1.00 18.64 O +ATOM 178 CB SER A 24 10.098 25.978 -0.380 1.00 19.88 C +ATOM 179 OG SER A 24 11.294 26.681 -0.704 1.00 21.24 O +ATOM 180 N THR A 25 12.681 23.990 -0.813 1.00 19.21 N +ATOM 181 CA THR A 25 14.060 23.677 -0.364 1.00 19.07 C +ATOM 182 C THR A 25 14.731 24.950 0.155 1.00 18.09 C +ATOM 183 O THR A 25 15.843 24.919 0.656 1.00 16.95 O +ATOM 184 CB THR A 25 14.913 23.125 -1.522 1.00 20.20 C +ATOM 185 OG1 THR A 25 14.958 24.112 -2.562 1.00 20.26 O +ATOM 186 CG2 THR A 25 14.294 21.792 -2.077 1.00 21.31 C +ATOM 187 N GLN A 26 14.054 26.080 0.028 1.00 16.13 N +ATOM 188 CA GLN A 26 14.616 27.321 0.532 1.00 17.69 C +ATOM 189 C GLN A 26 13.965 27.776 1.864 1.00 16.56 C +ATOM 190 O GLN A 26 14.265 28.871 2.367 1.00 15.73 O +ATOM 191 CB GLN A 26 14.464 28.455 -0.498 1.00 20.52 C +ATOM 192 CG GLN A 26 14.994 28.130 -1.930 1.00 24.59 C +ATOM 193 CD GLN A 26 16.519 28.070 -2.045 1.00 29.94 C +ATOM 194 OE1 GLN A 26 17.269 28.323 -1.070 1.00 31.23 O +ATOM 195 NE2 GLN A 26 16.993 27.733 -3.248 1.00 30.84 N +ATOM 196 N THR A 27 13.047 26.988 2.419 1.00 15.84 N +ATOM 197 CA THR A 27 12.461 27.425 3.678 1.00 14.23 C +ATOM 198 C THR A 27 12.292 26.282 4.678 1.00 15.99 C +ATOM 199 O THR A 27 12.382 25.096 4.334 1.00 14.51 O +ATOM 200 CB THR A 27 11.057 28.127 3.525 1.00 13.42 C +ATOM 201 OG1 THR A 27 10.038 27.148 3.279 1.00 15.56 O +ATOM 202 CG2 THR A 27 11.031 29.171 2.444 1.00 13.88 C +ATOM 203 N LEU A 28 12.069 26.661 5.932 1.00 13.28 N +ATOM 204 CA LEU A 28 11.848 25.686 6.998 1.00 14.50 C +ATOM 205 C LEU A 28 10.375 25.652 7.349 1.00 13.78 C +ATOM 206 O LEU A 28 9.786 26.699 7.586 1.00 14.33 O +ATOM 207 CB LEU A 28 12.605 26.086 8.249 1.00 10.60 C +ATOM 208 CG LEU A 28 14.124 26.220 8.105 1.00 15.94 C +ATOM 209 CD1 LEU A 28 14.708 26.783 9.409 1.00 15.00 C +ATOM 210 CD2 LEU A 28 14.728 24.840 7.855 1.00 13.34 C +ATOM 211 N THR A 29 9.768 24.467 7.358 1.00 15.21 N +ATOM 212 CA THR A 29 8.345 24.357 7.770 1.00 14.63 C +ATOM 213 C THR A 29 8.480 24.198 9.276 1.00 15.08 C +ATOM 214 O THR A 29 9.613 24.190 9.767 1.00 14.04 O +ATOM 215 CB THR A 29 7.705 23.063 7.201 1.00 13.75 C +ATOM 216 OG1 THR A 29 8.495 21.939 7.629 1.00 13.49 O +ATOM 217 CG2 THR A 29 7.664 23.115 5.613 1.00 15.12 C +ATOM 218 N LYS A 30 7.366 24.028 9.999 1.00 14.08 N +ATOM 219 CA LYS A 30 7.429 23.833 11.465 1.00 15.35 C +ATOM 220 C LYS A 30 8.181 22.529 11.765 1.00 16.04 C +ATOM 221 O LYS A 30 8.975 22.431 12.711 1.00 15.35 O +ATOM 222 CB LYS A 30 5.999 23.772 12.026 1.00 17.70 C +ATOM 223 CG LYS A 30 5.912 23.656 13.538 1.00 23.81 C +ATOM 224 CD LYS A 30 4.630 22.885 13.984 1.00 26.55 C +ATOM 225 CE LYS A 30 3.369 23.629 13.688 1.00 28.23 C +ATOM 226 NZ LYS A 30 2.240 23.080 14.548 1.00 29.90 N +ATOM 227 N GLY A 31 7.976 21.519 10.938 1.00 14.00 N +ATOM 228 CA GLY A 31 8.652 20.245 11.179 1.00 15.05 C +ATOM 229 C GLY A 31 10.157 20.322 11.015 1.00 15.50 C +ATOM 230 O GLY A 31 10.925 19.800 11.848 1.00 15.02 O +ATOM 231 N GLU A 32 10.597 20.986 9.951 1.00 14.88 N +ATOM 232 CA GLU A 32 12.024 21.141 9.705 1.00 15.37 C +ATOM 233 C GLU A 32 12.653 21.997 10.804 1.00 15.87 C +ATOM 234 O GLU A 32 13.760 21.704 11.261 1.00 16.98 O +ATOM 235 CB GLU A 32 12.269 21.785 8.338 1.00 13.93 C +ATOM 236 CG GLU A 32 11.812 20.891 7.177 1.00 16.13 C +ATOM 237 CD GLU A 32 11.880 21.574 5.802 1.00 16.17 C +ATOM 238 OE1 GLU A 32 11.400 22.719 5.674 1.00 16.41 O +ATOM 239 OE2 GLU A 32 12.382 20.951 4.837 1.00 16.71 O +ATOM 240 N LEU A 33 11.959 23.055 11.217 1.00 15.17 N +ATOM 241 CA LEU A 33 12.446 23.929 12.278 1.00 13.71 C +ATOM 242 C LEU A 33 12.604 23.130 13.588 1.00 16.08 C +ATOM 243 O LEU A 33 13.549 23.324 14.323 1.00 16.28 O +ATOM 244 CB LEU A 33 11.449 25.063 12.524 1.00 13.66 C +ATOM 245 CG LEU A 33 11.822 26.065 13.634 1.00 13.35 C +ATOM 246 CD1 LEU A 33 13.177 26.701 13.301 1.00 14.56 C +ATOM 247 CD2 LEU A 33 10.735 27.210 13.748 1.00 9.96 C +ATOM 248 N LYS A 34 11.630 22.276 13.909 1.00 16.86 N +ATOM 249 CA LYS A 34 11.730 21.448 15.131 1.00 16.27 C +ATOM 250 C LYS A 34 13.040 20.628 15.103 1.00 15.92 C +ATOM 251 O LYS A 34 13.784 20.592 16.096 1.00 15.31 O +ATOM 252 CB LYS A 34 10.529 20.502 15.218 1.00 16.64 C +ATOM 253 CG LYS A 34 10.573 19.527 16.421 1.00 15.55 C +ATOM 254 CD LYS A 34 9.319 18.602 16.313 1.00 22.19 C +ATOM 255 CE LYS A 34 9.383 17.322 17.192 1.00 21.84 C +ATOM 256 NZ LYS A 34 10.621 16.481 16.896 1.00 26.36 N +ATOM 257 N VAL A 35 13.317 19.971 13.966 1.00 15.50 N +ATOM 258 CA VAL A 35 14.539 19.187 13.821 1.00 15.35 C +ATOM 259 C VAL A 35 15.782 20.087 13.889 1.00 15.32 C +ATOM 260 O VAL A 35 16.726 19.776 14.605 1.00 15.25 O +ATOM 261 CB VAL A 35 14.527 18.386 12.508 1.00 17.87 C +ATOM 262 CG1 VAL A 35 15.827 17.574 12.375 1.00 17.42 C +ATOM 263 CG2 VAL A 35 13.294 17.462 12.478 1.00 19.37 C +ATOM 264 N LEU A 36 15.797 21.195 13.154 1.00 14.68 N +ATOM 265 CA LEU A 36 16.959 22.116 13.232 1.00 15.35 C +ATOM 266 C LEU A 36 17.214 22.570 14.701 1.00 16.42 C +ATOM 267 O LEU A 36 18.368 22.580 15.186 1.00 15.45 O +ATOM 268 CB LEU A 36 16.726 23.345 12.323 1.00 14.89 C +ATOM 269 CG LEU A 36 17.916 24.318 12.136 1.00 17.45 C +ATOM 270 CD1 LEU A 36 17.715 25.238 10.922 1.00 16.06 C +ATOM 271 CD2 LEU A 36 18.101 25.162 13.324 1.00 13.72 C +ATOM 272 N MET A 37 16.158 22.940 15.432 1.00 15.99 N +ATOM 273 CA MET A 37 16.361 23.375 16.813 1.00 16.38 C +ATOM 274 C MET A 37 16.898 22.290 17.750 1.00 17.11 C +ATOM 275 O MET A 37 17.805 22.590 18.533 1.00 18.10 O +ATOM 276 CB MET A 37 15.088 23.970 17.420 1.00 15.82 C +ATOM 277 CG MET A 37 14.589 25.252 16.747 1.00 13.97 C +ATOM 278 SD MET A 37 15.763 26.607 16.712 1.00 14.87 S +ATOM 279 CE MET A 37 15.741 27.126 18.597 1.00 14.42 C +ATOM 280 N GLU A 38 16.357 21.060 17.695 1.00 18.49 N +ATOM 281 CA GLU A 38 16.839 19.942 18.560 1.00 19.90 C +ATOM 282 C GLU A 38 18.268 19.560 18.212 1.00 19.83 C +ATOM 283 O GLU A 38 19.065 19.204 19.104 1.00 19.41 O +ATOM 284 CB GLU A 38 15.924 18.672 18.442 1.00 20.94 C +ATOM 285 CG GLU A 38 14.428 18.984 18.713 1.00 25.68 C +ATOM 286 CD GLU A 38 13.391 17.867 18.350 1.00 27.89 C +ATOM 287 OE1 GLU A 38 13.634 17.054 17.425 1.00 31.72 O +ATOM 288 OE2 GLU A 38 12.290 17.845 18.961 1.00 29.42 O +ATOM 289 N LYS A 39 18.628 19.655 16.929 1.00 18.43 N +ATOM 290 CA LYS A 39 20.000 19.301 16.519 1.00 18.86 C +ATOM 291 C LYS A 39 21.077 20.411 16.610 1.00 18.53 C +ATOM 292 O LYS A 39 22.235 20.114 16.945 1.00 18.29 O +ATOM 293 CB LYS A 39 19.998 18.759 15.090 1.00 20.76 C +ATOM 294 CG LYS A 39 19.562 17.285 14.933 1.00 25.07 C +ATOM 295 CD LYS A 39 20.677 16.366 15.425 1.00 29.51 C +ATOM 296 CE LYS A 39 20.415 14.882 15.143 1.00 31.64 C +ATOM 297 NZ LYS A 39 19.150 14.433 15.786 1.00 31.12 N +ATOM 298 N GLU A 40 20.705 21.673 16.321 1.00 15.10 N +ATOM 299 CA GLU A 40 21.639 22.803 16.312 1.00 14.25 C +ATOM 300 C GLU A 40 21.582 23.760 17.511 1.00 15.09 C +ATOM 301 O GLU A 40 22.599 24.376 17.875 1.00 15.94 O +ATOM 302 CB GLU A 40 21.456 23.615 15.008 1.00 13.11 C +ATOM 303 CG GLU A 40 21.701 22.813 13.770 1.00 14.39 C +ATOM 304 CD GLU A 40 23.162 22.391 13.664 1.00 18.84 C +ATOM 305 OE1 GLU A 40 24.030 23.062 14.267 1.00 17.31 O +ATOM 306 OE2 GLU A 40 23.437 21.405 12.967 1.00 20.57 O +ATOM 307 N LEU A 41 20.409 23.900 18.108 1.00 14.60 N +ATOM 308 CA LEU A 41 20.259 24.755 19.289 1.00 17.75 C +ATOM 309 C LEU A 41 19.553 23.954 20.376 1.00 17.76 C +ATOM 310 O LEU A 41 18.556 24.410 20.913 1.00 18.26 O +ATOM 311 CB LEU A 41 19.428 26.036 18.950 1.00 15.65 C +ATOM 312 CG LEU A 41 20.161 27.020 18.013 1.00 14.86 C +ATOM 313 CD1 LEU A 41 19.312 28.243 17.597 1.00 14.49 C +ATOM 314 CD2 LEU A 41 21.354 27.486 18.741 1.00 15.12 C +ATOM 315 N PRO A 42 20.076 22.752 20.719 1.00 20.52 N +ATOM 316 CA PRO A 42 19.432 21.940 21.750 1.00 22.12 C +ATOM 317 C PRO A 42 19.306 22.685 23.058 1.00 23.94 C +ATOM 318 O PRO A 42 20.195 23.460 23.433 1.00 26.37 O +ATOM 319 CB PRO A 42 20.335 20.711 21.867 1.00 21.99 C +ATOM 320 CG PRO A 42 21.659 21.227 21.498 1.00 21.18 C +ATOM 321 CD PRO A 42 21.358 22.144 20.320 1.00 20.76 C +ATOM 322 N GLY A 43 18.179 22.462 23.718 1.00 24.93 N +ATOM 323 CA GLY A 43 17.923 23.087 24.999 1.00 28.35 C +ATOM 324 C GLY A 43 17.365 24.499 24.894 1.00 29.09 C +ATOM 325 O GLY A 43 16.930 25.039 25.894 1.00 29.95 O +ATOM 326 N PHE A 44 17.389 25.105 23.707 1.00 28.40 N +ATOM 327 CA PHE A 44 16.873 26.453 23.555 1.00 28.43 C +ATOM 328 C PHE A 44 15.371 26.531 23.802 1.00 29.32 C +ATOM 329 O PHE A 44 14.899 27.444 24.472 1.00 30.55 O +ATOM 330 CB PHE A 44 17.181 27.012 22.167 1.00 27.47 C +ATOM 331 CG PHE A 44 16.725 28.445 21.980 1.00 26.51 C +ATOM 332 CD1 PHE A 44 17.587 29.511 22.258 1.00 27.37 C +ATOM 333 CD2 PHE A 44 15.461 28.724 21.486 1.00 24.61 C +ATOM 334 CE1 PHE A 44 17.199 30.847 22.036 1.00 24.34 C +ATOM 335 CE2 PHE A 44 15.052 30.053 21.257 1.00 24.79 C +ATOM 336 CZ PHE A 44 15.922 31.110 21.532 1.00 24.44 C +ATOM 337 N LEU A 45 14.624 25.591 23.247 1.00 30.86 N +ATOM 338 CA LEU A 45 13.172 25.537 23.431 1.00 33.22 C +ATOM 339 C LEU A 45 12.866 24.727 24.703 1.00 33.19 C +ATOM 340 O LEU A 45 13.578 23.757 24.998 1.00 33.36 O +ATOM 341 CB LEU A 45 12.512 24.841 22.244 1.00 33.27 C +ATOM 342 CG LEU A 45 12.697 25.498 20.873 1.00 34.67 C +ATOM 343 CD1 LEU A 45 12.024 24.630 19.867 1.00 35.23 C +ATOM 344 CD2 LEU A 45 12.129 26.912 20.842 1.00 35.35 C +ATOM 345 N ASP A 52 4.316 22.885 21.665 1.00 40.03 N +ATOM 346 CA ASP A 52 4.029 24.312 21.870 1.00 39.87 C +ATOM 347 C ASP A 52 5.121 25.246 21.284 1.00 36.79 C +ATOM 348 O ASP A 52 4.943 25.950 20.289 1.00 35.81 O +ATOM 349 CB ASP A 52 3.913 24.624 23.380 1.00 42.19 C +ATOM 350 CG ASP A 52 3.573 23.391 24.229 1.00 45.73 C +ATOM 351 OD1 ASP A 52 4.405 22.444 24.301 1.00 46.58 O +ATOM 352 OD2 ASP A 52 2.472 23.380 24.834 1.00 46.60 O +ATOM 353 N ALA A 53 6.254 25.231 21.957 1.00 35.21 N +ATOM 354 CA ALA A 53 7.392 26.059 21.653 1.00 32.73 C +ATOM 355 C ALA A 53 7.807 26.184 20.185 1.00 31.15 C +ATOM 356 O ALA A 53 8.144 27.269 19.748 1.00 29.91 O +ATOM 357 CB ALA A 53 8.567 25.584 22.496 1.00 32.93 C +ATOM 358 N VAL A 54 7.812 25.083 19.437 1.00 30.20 N +ATOM 359 CA VAL A 54 8.226 25.152 18.031 1.00 29.11 C +ATOM 360 C VAL A 54 7.242 25.954 17.172 1.00 27.11 C +ATOM 361 O VAL A 54 7.659 26.764 16.351 1.00 25.25 O +ATOM 362 CB VAL A 54 8.417 23.737 17.437 1.00 29.72 C +ATOM 363 CG1 VAL A 54 8.589 23.803 15.938 1.00 30.21 C +ATOM 364 CG2 VAL A 54 9.650 23.101 18.050 1.00 30.96 C +ATOM 365 N ASP A 55 5.943 25.742 17.363 1.00 24.70 N +ATOM 366 CA ASP A 55 4.973 26.476 16.563 1.00 24.96 C +ATOM 367 C ASP A 55 5.020 27.970 16.947 1.00 23.45 C +ATOM 368 O ASP A 55 4.910 28.803 16.076 1.00 21.88 O +ATOM 369 CB ASP A 55 3.547 25.914 16.748 1.00 28.28 C +ATOM 370 CG ASP A 55 2.479 26.737 16.011 1.00 30.04 C +ATOM 371 OD1 ASP A 55 2.159 27.871 16.454 1.00 33.23 O +ATOM 372 OD2 ASP A 55 1.948 26.262 14.986 1.00 31.89 O +ATOM 373 N LYS A 56 5.188 28.296 18.234 1.00 21.71 N +ATOM 374 CA LYS A 56 5.265 29.692 18.649 1.00 22.67 C +ATOM 375 C LYS A 56 6.546 30.315 18.058 1.00 20.59 C +ATOM 376 O LYS A 56 6.549 31.474 17.648 1.00 21.57 O +ATOM 377 CB LYS A 56 5.318 29.829 20.193 1.00 24.13 C +ATOM 378 CG LYS A 56 4.015 29.559 21.014 1.00 30.30 C +ATOM 379 CD LYS A 56 3.108 30.811 21.229 1.00 33.90 C +ATOM 380 CE LYS A 56 2.349 30.794 22.597 1.00 36.37 C +ATOM 381 NZ LYS A 56 1.530 32.042 22.934 1.00 36.83 N +ATOM 382 N LEU A 57 7.635 29.549 18.037 1.00 19.46 N +ATOM 383 CA LEU A 57 8.904 30.078 17.504 1.00 18.84 C +ATOM 384 C LEU A 57 8.693 30.435 16.051 1.00 18.12 C +ATOM 385 O LEU A 57 9.127 31.493 15.568 1.00 16.18 O +ATOM 386 CB LEU A 57 10.010 29.017 17.544 1.00 18.04 C +ATOM 387 CG LEU A 57 11.467 29.451 17.708 1.00 21.34 C +ATOM 388 CD1 LEU A 57 12.415 28.421 17.123 1.00 14.91 C +ATOM 389 CD2 LEU A 57 11.699 30.777 17.130 1.00 20.01 C +ATOM 390 N LEU A 58 8.079 29.509 15.316 1.00 17.33 N +ATOM 391 CA LEU A 58 7.870 29.772 13.899 1.00 18.33 C +ATOM 392 C LEU A 58 7.022 31.054 13.667 1.00 17.69 C +ATOM 393 O LEU A 58 7.370 31.908 12.841 1.00 16.54 O +ATOM 394 CB LEU A 58 7.239 28.569 13.239 1.00 16.44 C +ATOM 395 CG LEU A 58 6.990 28.823 11.753 1.00 17.77 C +ATOM 396 CD1 LEU A 58 7.579 27.723 10.858 1.00 23.20 C +ATOM 397 CD2 LEU A 58 5.515 28.858 11.595 1.00 19.89 C +ATOM 398 N LYS A 59 5.946 31.188 14.433 1.00 18.79 N +ATOM 399 CA LYS A 59 5.073 32.354 14.334 1.00 19.73 C +ATOM 400 C LYS A 59 5.842 33.627 14.682 1.00 18.49 C +ATOM 401 O LYS A 59 5.576 34.679 14.127 1.00 18.95 O +ATOM 402 CB LYS A 59 3.887 32.194 15.282 1.00 23.44 C +ATOM 403 CG LYS A 59 2.825 31.180 14.817 1.00 28.21 C +ATOM 404 CD LYS A 59 2.029 30.647 16.013 1.00 31.03 C +ATOM 405 CE LYS A 59 0.505 30.888 15.887 1.00 32.64 C +ATOM 406 NZ LYS A 59 -0.264 30.463 17.162 1.00 33.19 N +ATOM 407 N ASP A 60 6.806 33.527 15.596 1.00 19.07 N +ATOM 408 CA ASP A 60 7.619 34.689 15.992 1.00 17.54 C +ATOM 409 C ASP A 60 8.573 35.133 14.882 1.00 18.26 C +ATOM 410 O ASP A 60 8.792 36.339 14.664 1.00 16.39 O +ATOM 411 CB ASP A 60 8.479 34.376 17.221 1.00 17.41 C +ATOM 412 CG ASP A 60 7.713 34.467 18.543 1.00 21.29 C +ATOM 413 OD1 ASP A 60 6.523 34.844 18.544 1.00 20.03 O +ATOM 414 OD2 ASP A 60 8.320 34.158 19.594 1.00 22.41 O +ATOM 415 N LEU A 61 9.176 34.149 14.217 1.00 17.67 N +ATOM 416 CA LEU A 61 10.144 34.428 13.166 1.00 18.45 C +ATOM 417 C LEU A 61 9.557 34.750 11.779 1.00 18.57 C +ATOM 418 O LEU A 61 10.171 35.474 10.973 1.00 18.74 O +ATOM 419 CB LEU A 61 11.087 33.240 13.015 1.00 17.39 C +ATOM 420 CG LEU A 61 11.903 32.775 14.219 1.00 18.62 C +ATOM 421 CD1 LEU A 61 13.035 31.921 13.676 1.00 20.37 C +ATOM 422 CD2 LEU A 61 12.461 33.910 14.997 1.00 18.11 C +ATOM 423 N ASP A 62 8.383 34.186 11.505 1.00 19.17 N +ATOM 424 CA ASP A 62 7.720 34.369 10.206 1.00 19.20 C +ATOM 425 C ASP A 62 7.365 35.824 9.974 1.00 18.85 C +ATOM 426 O ASP A 62 6.383 36.276 10.490 1.00 21.55 O +ATOM 427 CB ASP A 62 6.426 33.527 10.149 1.00 16.56 C +ATOM 428 CG ASP A 62 5.825 33.456 8.740 1.00 19.02 C +ATOM 429 OD1 ASP A 62 6.494 33.864 7.755 1.00 15.69 O +ATOM 430 OD2 ASP A 62 4.678 32.972 8.623 1.00 20.35 O +ATOM 431 N ALA A 63 8.141 36.558 9.198 1.00 19.45 N +ATOM 432 CA ALA A 63 7.800 37.948 8.969 1.00 22.52 C +ATOM 433 C ALA A 63 6.795 38.156 7.839 1.00 23.69 C +ATOM 434 O ALA A 63 6.126 39.194 7.778 1.00 25.43 O +ATOM 435 CB ALA A 63 9.055 38.773 8.676 1.00 21.26 C +ATOM 436 N ASN A 64 6.680 37.208 6.926 1.00 24.72 N +ATOM 437 CA ASN A 64 5.763 37.444 5.801 1.00 24.82 C +ATOM 438 C ASN A 64 4.501 36.636 5.824 1.00 26.07 C +ATOM 439 O ASN A 64 3.742 36.654 4.857 1.00 28.71 O +ATOM 440 CB ASN A 64 6.476 37.230 4.467 1.00 23.72 C +ATOM 441 CG ASN A 64 6.857 35.780 4.232 1.00 20.91 C +ATOM 442 OD1 ASN A 64 7.004 35.026 5.290 1.00 18.24 O +ATOM 443 ND2 ASN A 64 7.017 35.355 3.083 1.00 24.16 N +ATOM 444 N GLY A 65 4.278 35.916 6.911 1.00 23.84 N +ATOM 445 CA GLY A 65 3.062 35.139 7.045 1.00 24.92 C +ATOM 446 C GLY A 65 2.823 33.939 6.118 1.00 25.05 C +ATOM 447 O GLY A 65 1.664 33.619 5.854 1.00 24.68 O +ATOM 448 N ASP A 66 3.873 33.284 5.617 1.00 21.98 N +ATOM 449 CA ASP A 66 3.682 32.090 4.777 1.00 21.31 C +ATOM 450 C ASP A 66 3.800 30.800 5.609 1.00 20.58 C +ATOM 451 O ASP A 66 3.769 29.689 5.066 1.00 21.87 O +ATOM 452 CB ASP A 66 4.678 32.027 3.610 1.00 19.99 C +ATOM 453 CG ASP A 66 6.136 32.154 4.051 1.00 19.83 C +ATOM 454 OD1 ASP A 66 6.438 32.080 5.270 1.00 16.77 O +ATOM 455 OD2 ASP A 66 6.984 32.341 3.148 1.00 19.44 O +ATOM 456 N ALA A 67 3.909 30.935 6.923 1.00 18.52 N +ATOM 457 CA ALA A 67 4.023 29.757 7.785 1.00 19.94 C +ATOM 458 C ALA A 67 5.341 28.963 7.626 1.00 18.43 C +ATOM 459 O ALA A 67 5.441 27.790 8.013 1.00 19.78 O +ATOM 460 CB ALA A 67 2.811 28.831 7.562 1.00 21.65 C +ATOM 461 N GLN A 68 6.365 29.624 7.096 1.00 19.03 N +ATOM 462 CA GLN A 68 7.672 28.994 6.909 1.00 17.62 C +ATOM 463 C GLN A 68 8.757 30.000 7.268 1.00 16.58 C +ATOM 464 O GLN A 68 8.513 31.229 7.255 1.00 17.00 O +ATOM 465 CB GLN A 68 7.835 28.599 5.452 1.00 18.82 C +ATOM 466 CG GLN A 68 6.764 27.677 4.954 1.00 22.08 C +ATOM 467 CD GLN A 68 6.591 27.762 3.445 1.00 23.48 C +ATOM 468 OE1 GLN A 68 5.477 27.852 2.973 1.00 26.87 O +ATOM 469 NE2 GLN A 68 7.694 27.721 2.690 1.00 23.49 N +ATOM 470 N VAL A 69 9.941 29.483 7.558 1.00 12.36 N +ATOM 471 CA VAL A 69 11.061 30.333 7.887 1.00 13.04 C +ATOM 472 C VAL A 69 12.058 30.309 6.745 1.00 13.27 C +ATOM 473 O VAL A 69 12.662 29.262 6.448 1.00 11.21 O +ATOM 474 CB VAL A 69 11.792 29.876 9.150 1.00 11.02 C +ATOM 475 CG1 VAL A 69 12.894 30.910 9.530 1.00 7.91 C +ATOM 476 CG2 VAL A 69 10.814 29.752 10.280 1.00 12.01 C +ATOM 477 N ASP A 70 12.234 31.460 6.110 1.00 13.96 N +ATOM 478 CA ASP A 70 13.177 31.524 5.008 1.00 14.45 C +ATOM 479 C ASP A 70 14.539 31.953 5.552 1.00 13.71 C +ATOM 480 O ASP A 70 14.710 32.159 6.779 1.00 13.84 O +ATOM 481 CB ASP A 70 12.696 32.433 3.845 1.00 15.41 C +ATOM 482 CG ASP A 70 12.475 33.889 4.239 1.00 17.16 C +ATOM 483 OD1 ASP A 70 13.182 34.457 5.107 1.00 17.14 O +ATOM 484 OD2 ASP A 70 11.549 34.469 3.636 1.00 17.57 O +ATOM 485 N PHE A 71 15.517 32.046 4.674 1.00 13.55 N +ATOM 486 CA PHE A 71 16.822 32.392 5.180 1.00 14.40 C +ATOM 487 C PHE A 71 16.901 33.748 5.849 1.00 15.21 C +ATOM 488 O PHE A 71 17.513 33.846 6.895 1.00 16.61 O +ATOM 489 CB PHE A 71 17.930 32.266 4.122 1.00 13.91 C +ATOM 490 CG PHE A 71 19.315 32.353 4.727 1.00 14.34 C +ATOM 491 CD1 PHE A 71 19.856 31.280 5.413 1.00 14.39 C +ATOM 492 CD2 PHE A 71 20.039 33.556 4.693 1.00 15.61 C +ATOM 493 CE1 PHE A 71 21.113 31.382 6.079 1.00 14.67 C +ATOM 494 CE2 PHE A 71 21.287 33.677 5.352 1.00 14.87 C +ATOM 495 CZ PHE A 71 21.813 32.583 6.043 1.00 16.48 C +ATOM 496 N SER A 72 16.279 34.780 5.295 1.00 15.99 N +ATOM 497 CA SER A 72 16.336 36.102 5.942 1.00 17.51 C +ATOM 498 C SER A 72 15.798 36.051 7.360 1.00 17.49 C +ATOM 499 O SER A 72 16.440 36.614 8.272 1.00 17.41 O +ATOM 500 CB SER A 72 15.543 37.163 5.149 1.00 20.35 C +ATOM 501 OG SER A 72 16.072 37.224 3.821 1.00 21.44 O +ATOM 502 N GLU A 73 14.637 35.394 7.540 1.00 14.55 N +ATOM 503 CA GLU A 73 14.012 35.266 8.866 1.00 15.37 C +ATOM 504 C GLU A 73 14.923 34.462 9.821 1.00 14.86 C +ATOM 505 O GLU A 73 15.102 34.792 11.000 1.00 15.10 O +ATOM 506 CB GLU A 73 12.636 34.596 8.732 1.00 14.33 C +ATOM 507 CG GLU A 73 11.659 35.465 7.887 1.00 16.90 C +ATOM 508 CD GLU A 73 10.476 34.680 7.399 1.00 16.12 C +ATOM 509 OE1 GLU A 73 10.591 33.439 7.294 1.00 15.88 O +ATOM 510 OE2 GLU A 73 9.436 35.298 7.101 1.00 17.07 O +ATOM 511 N PHE A 74 15.510 33.409 9.288 1.00 14.46 N +ATOM 512 CA PHE A 74 16.405 32.587 10.058 1.00 14.71 C +ATOM 513 C PHE A 74 17.675 33.348 10.481 1.00 13.59 C +ATOM 514 O PHE A 74 18.043 33.316 11.636 1.00 16.53 O +ATOM 515 CB PHE A 74 16.762 31.327 9.249 1.00 13.13 C +ATOM 516 CG PHE A 74 17.802 30.459 9.891 1.00 13.92 C +ATOM 517 CD1 PHE A 74 17.468 29.627 10.952 1.00 16.41 C +ATOM 518 CD2 PHE A 74 19.105 30.424 9.400 1.00 14.59 C +ATOM 519 CE1 PHE A 74 18.408 28.761 11.526 1.00 13.93 C +ATOM 520 CE2 PHE A 74 20.070 29.550 9.978 1.00 15.68 C +ATOM 521 CZ PHE A 74 19.702 28.720 11.047 1.00 14.86 C +ATOM 522 N ILE A 75 18.340 34.049 9.586 1.00 15.14 N +ATOM 523 CA ILE A 75 19.567 34.715 10.001 1.00 16.45 C +ATOM 524 C ILE A 75 19.295 35.842 11.015 1.00 16.94 C +ATOM 525 O ILE A 75 20.138 36.131 11.860 1.00 17.86 O +ATOM 526 CB ILE A 75 20.383 35.241 8.756 1.00 15.34 C +ATOM 527 CG1 ILE A 75 21.802 35.648 9.153 1.00 18.99 C +ATOM 528 CG2 ILE A 75 19.741 36.457 8.166 1.00 14.73 C +ATOM 529 CD1 ILE A 75 22.887 34.601 8.900 1.00 16.79 C +ATOM 530 N VAL A 76 18.117 36.450 10.961 1.00 16.75 N +ATOM 531 CA VAL A 76 17.798 37.506 11.908 1.00 17.60 C +ATOM 532 C VAL A 76 17.708 36.843 13.290 1.00 17.53 C +ATOM 533 O VAL A 76 18.182 37.381 14.300 1.00 15.69 O +ATOM 534 CB VAL A 76 16.473 38.199 11.506 1.00 18.83 C +ATOM 535 CG1 VAL A 76 15.851 38.910 12.696 1.00 20.41 C +ATOM 536 CG2 VAL A 76 16.766 39.205 10.383 1.00 20.07 C +ATOM 537 N PHE A 77 17.131 35.654 13.323 1.00 15.37 N +ATOM 538 CA PHE A 77 17.022 34.899 14.578 1.00 14.92 C +ATOM 539 C PHE A 77 18.406 34.510 15.137 1.00 15.11 C +ATOM 540 O PHE A 77 18.655 34.654 16.366 1.00 13.08 O +ATOM 541 CB PHE A 77 16.179 33.644 14.337 1.00 15.08 C +ATOM 542 CG PHE A 77 16.169 32.675 15.490 1.00 17.13 C +ATOM 543 CD1 PHE A 77 15.682 33.058 16.736 1.00 17.66 C +ATOM 544 CD2 PHE A 77 16.636 31.383 15.317 1.00 18.05 C +ATOM 545 CE1 PHE A 77 15.652 32.163 17.816 1.00 19.40 C +ATOM 546 CE2 PHE A 77 16.623 30.482 16.376 1.00 19.87 C +ATOM 547 CZ PHE A 77 16.126 30.872 17.635 1.00 21.49 C +ATOM 548 N VAL A 78 19.284 33.990 14.257 1.00 12.37 N +ATOM 549 CA VAL A 78 20.649 33.621 14.637 1.00 14.10 C +ATOM 550 C VAL A 78 21.410 34.815 15.200 1.00 14.83 C +ATOM 551 O VAL A 78 22.150 34.704 16.200 1.00 15.51 O +ATOM 552 CB VAL A 78 21.422 33.022 13.414 1.00 15.13 C +ATOM 553 CG1 VAL A 78 22.888 32.777 13.760 1.00 13.99 C +ATOM 554 CG2 VAL A 78 20.761 31.698 13.029 1.00 16.30 C +ATOM 555 N ALA A 79 21.218 35.968 14.566 1.00 15.59 N +ATOM 556 CA ALA A 79 21.868 37.212 15.014 1.00 16.00 C +ATOM 557 C ALA A 79 21.407 37.627 16.394 1.00 16.47 C +ATOM 558 O ALA A 79 22.212 38.046 17.212 1.00 14.02 O +ATOM 559 CB ALA A 79 21.578 38.352 14.029 1.00 15.78 C +ATOM 560 N ALA A 80 20.097 37.528 16.627 1.00 16.63 N +ATOM 561 CA ALA A 80 19.513 37.924 17.893 1.00 17.21 C +ATOM 562 C ALA A 80 20.088 37.067 19.041 1.00 17.36 C +ATOM 563 O ALA A 80 20.499 37.600 20.083 1.00 16.28 O +ATOM 564 CB ALA A 80 17.981 37.777 17.817 1.00 18.56 C +ATOM 565 N ILE A 81 20.097 35.747 18.842 1.00 15.33 N +ATOM 566 CA ILE A 81 20.644 34.826 19.833 1.00 17.42 C +ATOM 567 C ILE A 81 22.113 35.138 20.092 1.00 14.92 C +ATOM 568 O ILE A 81 22.572 35.165 21.223 1.00 17.14 O +ATOM 569 CB ILE A 81 20.604 33.362 19.326 1.00 19.08 C +ATOM 570 CG1 ILE A 81 19.191 32.898 19.120 1.00 23.30 C +ATOM 571 CG2 ILE A 81 21.256 32.471 20.349 1.00 24.25 C +ATOM 572 CD1 ILE A 81 18.252 33.565 20.052 1.00 19.67 C +ATOM 573 N THR A 82 22.863 35.341 19.019 1.00 14.88 N +ATOM 574 CA THR A 82 24.287 35.643 19.154 1.00 13.70 C +ATOM 575 C THR A 82 24.483 36.983 19.895 1.00 14.44 C +ATOM 576 O THR A 82 25.305 37.073 20.813 1.00 14.33 O +ATOM 577 CB THR A 82 24.947 35.692 17.783 1.00 14.99 C +ATOM 578 OG1 THR A 82 24.612 34.485 17.058 1.00 14.60 O +ATOM 579 CG2 THR A 82 26.485 35.779 17.939 1.00 13.17 C +ATOM 580 N SER A 83 23.682 38.000 19.541 1.00 13.12 N +ATOM 581 CA SER A 83 23.785 39.301 20.205 1.00 14.36 C +ATOM 582 C SER A 83 23.459 39.158 21.694 1.00 13.59 C +ATOM 583 O SER A 83 24.083 39.786 22.519 1.00 12.30 O +ATOM 584 CB SER A 83 22.829 40.334 19.571 1.00 13.88 C +ATOM 585 OG SER A 83 22.944 41.609 20.225 1.00 21.34 O +ATOM 586 N ALA A 84 22.463 38.343 22.025 1.00 14.22 N +ATOM 587 CA ALA A 84 22.084 38.164 23.436 1.00 16.88 C +ATOM 588 C ALA A 84 23.241 37.529 24.226 1.00 17.64 C +ATOM 589 O ALA A 84 23.482 37.878 25.371 1.00 18.76 O +ATOM 590 CB ALA A 84 20.810 37.303 23.544 1.00 17.09 C +ATOM 591 N CYS A 85 23.953 36.598 23.612 1.00 18.63 N +ATOM 592 CA CYS A 85 25.110 35.958 24.272 1.00 18.67 C +ATOM 593 C CYS A 85 26.210 36.978 24.543 1.00 18.39 C +ATOM 594 O CYS A 85 26.735 37.059 25.655 1.00 18.77 O +ATOM 595 CB CYS A 85 25.705 34.842 23.401 1.00 19.74 C +ATOM 596 SG CYS A 85 24.611 33.415 23.211 1.00 26.65 S +ATOM 597 N HIS A 86 26.544 37.771 23.532 1.00 16.44 N +ATOM 598 CA HIS A 86 27.584 38.760 23.660 1.00 15.70 C +ATOM 599 C HIS A 86 27.237 39.853 24.689 1.00 16.38 C +ATOM 600 O HIS A 86 28.119 40.323 25.448 1.00 15.78 O +ATOM 601 CB HIS A 86 27.904 39.382 22.279 1.00 14.04 C +ATOM 602 CG HIS A 86 29.103 40.291 22.299 1.00 15.52 C +ATOM 603 ND1 HIS A 86 29.043 41.574 22.786 1.00 14.98 N +ATOM 604 CD2 HIS A 86 30.409 40.065 21.999 1.00 15.63 C +ATOM 605 CE1 HIS A 86 30.253 42.106 22.790 1.00 14.63 C +ATOM 606 NE2 HIS A 86 31.102 41.210 22.314 1.00 14.64 N +ATOM 607 N LYS A 87 25.970 40.270 24.726 1.00 13.41 N +ATOM 608 CA LYS A 87 25.524 41.272 25.690 1.00 14.67 C +ATOM 609 C LYS A 87 25.645 40.732 27.124 1.00 15.84 C +ATOM 610 O LYS A 87 25.952 41.448 28.071 1.00 14.40 O +ATOM 611 CB LYS A 87 24.053 41.587 25.439 1.00 19.32 C +ATOM 612 CG LYS A 87 23.409 42.543 26.414 1.00 23.23 C +ATOM 613 CD LYS A 87 22.596 43.591 25.658 1.00 29.42 C +ATOM 614 CE LYS A 87 22.146 43.134 24.234 1.00 29.69 C +ATOM 615 NZ LYS A 87 21.490 44.220 23.403 1.00 32.29 N +ATOM 616 N TYR A 88 25.370 39.458 27.288 1.00 16.62 N +ATOM 617 CA TYR A 88 25.437 38.889 28.624 1.00 18.98 C +ATOM 618 C TYR A 88 26.863 38.906 29.208 1.00 20.02 C +ATOM 619 O TYR A 88 27.032 39.263 30.367 1.00 19.44 O +ATOM 620 CB TYR A 88 24.895 37.449 28.637 1.00 19.67 C +ATOM 621 CG TYR A 88 24.889 36.811 30.033 1.00 22.38 C +ATOM 622 CD1 TYR A 88 23.836 37.019 30.926 1.00 23.16 C +ATOM 623 CD2 TYR A 88 25.958 36.031 30.455 1.00 23.12 C +ATOM 624 CE1 TYR A 88 23.855 36.449 32.240 1.00 24.45 C +ATOM 625 CE2 TYR A 88 25.990 35.460 31.747 1.00 24.44 C +ATOM 626 CZ TYR A 88 24.948 35.679 32.631 1.00 24.06 C +ATOM 627 OH TYR A 88 25.065 35.192 33.932 1.00 25.83 O +ATOM 628 N PHE A 89 27.865 38.502 28.430 1.00 19.54 N +ATOM 629 CA PHE A 89 29.220 38.477 28.960 1.00 22.50 C +ATOM 630 C PHE A 89 29.820 39.855 29.022 1.00 22.28 C +ATOM 631 O PHE A 89 30.710 40.100 29.843 1.00 24.20 O +ATOM 632 CB PHE A 89 30.108 37.477 28.212 1.00 21.26 C +ATOM 633 CG PHE A 89 29.651 36.057 28.387 1.00 23.30 C +ATOM 634 CD1 PHE A 89 29.776 35.435 29.609 1.00 23.89 C +ATOM 635 CD2 PHE A 89 28.998 35.385 27.354 1.00 24.89 C +ATOM 636 CE1 PHE A 89 29.255 34.164 29.825 1.00 25.57 C +ATOM 637 CE2 PHE A 89 28.463 34.085 27.559 1.00 27.96 C +ATOM 638 CZ PHE A 89 28.597 33.487 28.800 1.00 26.51 C +ATOM 639 N GLU A 90 29.291 40.764 28.208 1.00 23.17 N +ATOM 640 CA GLU A 90 29.721 42.163 28.250 1.00 23.39 C +ATOM 641 C GLU A 90 29.343 42.702 29.632 1.00 24.98 C +ATOM 642 O GLU A 90 30.138 43.355 30.274 1.00 24.60 O +ATOM 643 CB GLU A 90 29.030 42.999 27.158 1.00 24.99 C +ATOM 644 CG GLU A 90 29.621 44.396 27.000 1.00 28.12 C +ATOM 645 CD GLU A 90 28.832 45.334 26.003 1.00 30.73 C +ATOM 646 OE1 GLU A 90 29.237 46.513 25.864 1.00 28.47 O +ATOM 647 OE2 GLU A 90 27.834 44.912 25.374 1.00 30.53 O +ATOM 648 N LYS A 91 28.136 42.378 30.109 1.00 26.09 N +ATOM 649 CA LYS A 91 27.681 42.824 31.423 1.00 27.66 C +ATOM 650 C LYS A 91 28.340 42.066 32.569 1.00 27.67 C +ATOM 651 O LYS A 91 28.640 42.670 33.591 1.00 26.24 O +ATOM 652 CB LYS A 91 26.153 42.697 31.568 1.00 28.22 C +ATOM 653 CG LYS A 91 25.329 43.515 30.543 1.00 32.71 C +ATOM 654 CD LYS A 91 25.482 45.050 30.694 1.00 33.97 C +ATOM 655 CE LYS A 91 26.872 45.577 30.308 1.00 35.96 C +ATOM 656 NZ LYS A 91 26.991 45.935 28.865 1.00 37.10 N +ATOM 657 N ALA A 92 28.552 40.756 32.424 1.00 28.20 N +ATOM 658 CA ALA A 92 29.203 39.990 33.506 1.00 28.98 C +ATOM 659 C ALA A 92 30.577 40.603 33.751 1.00 30.89 C +ATOM 660 O ALA A 92 31.171 40.436 34.823 1.00 30.50 O +ATOM 661 CB ALA A 92 29.356 38.505 33.119 1.00 27.33 C +ATOM 662 N GLY A 93 31.032 41.337 32.739 1.00 33.24 N +ATOM 663 CA GLY A 93 32.324 42.012 32.718 1.00 36.22 C +ATOM 664 C GLY A 93 32.599 43.171 33.647 1.00 37.83 C +ATOM 665 O GLY A 93 33.621 43.838 33.519 1.00 38.14 O +ATOM 666 N LEU A 94 31.669 43.452 34.544 1.00 40.67 N +ATOM 667 CA LEU A 94 31.888 44.461 35.574 1.00 41.97 C +ATOM 668 C LEU A 94 30.746 44.524 36.570 1.00 42.69 C +ATOM 669 O LEU A 94 30.976 44.671 37.774 1.00 42.69 O +ATOM 670 CB LEU A 94 32.145 45.866 35.019 1.00 43.44 C +ATOM 671 CG LEU A 94 32.625 46.690 36.244 1.00 44.89 C +ATOM 672 CD1 LEU A 94 33.840 45.979 36.896 1.00 44.56 C +ATOM 673 CD2 LEU A 94 32.981 48.136 35.864 1.00 44.93 C Added: SwiftApps/modFTdock/input/1k8u-1.pdb =================================================================== --- SwiftApps/modFTdock/input/1k8u-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/1k8u-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,700 @@ +ATOM 1 N ALA A 2 -10.282 -7.581 46.211 1.00 14.33 N +ATOM 2 CA ALA A 2 -8.918 -7.527 46.806 1.00 12.53 C +ATOM 3 C ALA A 2 -8.692 -6.265 47.636 1.00 11.96 C +ATOM 4 O ALA A 2 -9.382 -5.231 47.463 1.00 13.57 O +ATOM 5 CB ALA A 2 -7.914 -7.573 45.680 1.00 16.55 C +ATOM 17 N PRO A 4 -6.819 -2.887 48.824 1.00 10.32 N +ATOM 18 CA PRO A 4 -6.311 -1.833 47.936 1.00 10.22 C +ATOM 19 C PRO A 4 -4.926 -2.058 47.362 1.00 9.90 C +ATOM 20 O PRO A 4 -4.711 -1.914 46.159 1.00 10.38 O +ATOM 21 CB PRO A 4 -6.400 -0.585 48.817 1.00 12.61 C +ATOM 22 CG PRO A 4 -7.614 -0.873 49.650 1.00 13.46 C +ATOM 23 CD PRO A 4 -7.464 -2.334 50.018 1.00 11.82 C +ATOM 24 N LEU A 5 -3.955 -2.448 48.184 1.00 9.62 N +ATOM 25 CA LEU A 5 -2.611 -2.628 47.635 1.00 9.42 C +ATOM 26 C LEU A 5 -2.577 -3.836 46.724 1.00 8.88 C +ATOM 27 O LEU A 5 -1.804 -3.861 45.755 1.00 10.16 O +ATOM 28 CB LEU A 5 -1.588 -2.725 48.766 1.00 10.61 C +ATOM 29 CG LEU A 5 -0.114 -2.620 48.331 1.00 10.67 C +ATOM 30 CD1 LEU A 5 0.124 -1.231 47.695 1.00 12.51 C +ATOM 31 CD2 LEU A 5 0.789 -2.916 49.497 1.00 12.24 C +ATOM 32 N ASP A 6 -3.346 -4.927 47.008 1.00 9.84 N +ATOM 33 CA ASP A 6 -3.395 -6.063 46.099 1.00 10.10 C +ATOM 34 C ASP A 6 -4.014 -5.649 44.751 1.00 9.35 C +ATOM 35 O ASP A 6 -3.528 -6.053 43.710 1.00 9.62 O +ATOM 36 CB ASP A 6 -4.246 -7.211 46.685 1.00 10.33 C +ATOM 37 CG ASP A 6 -3.458 -8.200 47.528 1.00 11.41 C +ATOM 38 OD1 ASP A 6 -2.389 -8.645 47.042 1.00 12.67 O +ATOM 39 OD2 ASP A 6 -3.923 -8.489 48.660 1.00 11.27 O +ATOM 40 N GLN A 7 -5.018 -4.762 44.827 1.00 9.32 N +ATOM 41 CA GLN A 7 -5.615 -4.247 43.618 1.00 10.50 C +ATOM 42 C GLN A 7 -4.573 -3.474 42.784 1.00 10.11 C +ATOM 43 O GLN A 7 -4.452 -3.631 41.582 1.00 10.85 O +ATOM 44 CB GLN A 7 -6.774 -3.305 43.891 1.00 12.54 C +ATOM 45 CG GLN A 7 -7.442 -2.747 42.664 1.00 17.98 C +ATOM 46 CD GLN A 7 -8.678 -1.925 42.931 1.00 22.99 C +ATOM 47 OE1 GLN A 7 -9.428 -1.599 42.005 1.00 29.12 O +ATOM 48 NE2 GLN A 7 -8.921 -1.566 44.178 1.00 24.26 N +ATOM 49 N ALA A 8 -3.791 -2.651 43.472 1.00 9.44 N +ATOM 50 CA ALA A 8 -2.771 -1.829 42.812 1.00 9.93 C +ATOM 51 C ALA A 8 -1.776 -2.720 42.099 1.00 9.01 C +ATOM 52 O ALA A 8 -1.394 -2.501 40.947 1.00 9.52 O +ATOM 53 CB ALA A 8 -2.098 -0.918 43.813 1.00 11.10 C +ATOM 54 N ILE A 9 -1.264 -3.746 42.839 1.00 9.78 N +ATOM 55 CA ILE A 9 -0.295 -4.639 42.227 1.00 9.90 C +ATOM 56 C ILE A 9 -0.879 -5.394 41.046 1.00 9.46 C +ATOM 57 O ILE A 9 -0.247 -5.541 39.990 1.00 10.00 O +ATOM 58 CB ILE A 9 0.289 -5.614 43.289 1.00 11.44 C +ATOM 59 CG1 ILE A 9 1.107 -4.834 44.301 1.00 12.81 C +ATOM 60 CG2 ILE A 9 1.136 -6.689 42.625 1.00 12.38 C +ATOM 61 CD1 ILE A 9 1.622 -5.593 45.514 1.00 14.86 C +ATOM 62 N GLY A 10 -2.126 -5.872 41.186 1.00 9.44 N +ATOM 63 CA GLY A 10 -2.734 -6.572 40.082 1.00 10.41 C +ATOM 64 C GLY A 10 -2.850 -5.699 38.836 1.00 9.27 C +ATOM 65 O GLY A 10 -2.654 -6.145 37.716 1.00 10.04 O +ATOM 66 N LEU A 11 -3.188 -4.422 39.017 1.00 9.55 N +ATOM 67 CA LEU A 11 -3.245 -3.487 37.877 1.00 9.61 C +ATOM 68 C LEU A 11 -1.880 -3.240 37.287 1.00 9.59 C +ATOM 69 O LEU A 11 -1.725 -3.224 36.063 1.00 10.54 O +ATOM 70 CB LEU A 11 -3.887 -2.199 38.363 1.00 10.37 C +ATOM 71 CG LEU A 11 -5.364 -2.260 38.685 1.00 10.16 C +ATOM 72 CD1 LEU A 11 -5.798 -0.964 39.344 1.00 12.76 C +ATOM 73 CD2 LEU A 11 -6.219 -2.496 37.453 1.00 15.15 C +ATOM 74 N LEU A 12 -0.837 -3.076 38.108 1.00 9.99 N +ATOM 75 CA LEU A 12 0.535 -2.922 37.567 1.00 10.54 C +ATOM 76 C LEU A 12 0.928 -4.079 36.706 1.00 10.13 C +ATOM 77 O LEU A 12 1.566 -3.905 35.653 1.00 9.97 O +ATOM 78 CB LEU A 12 1.585 -2.884 38.715 1.00 11.60 C +ATOM 79 CG LEU A 12 1.537 -1.662 39.563 1.00 15.36 C +ATOM 80 CD1 LEU A 12 2.512 -1.678 40.718 1.00 17.33 C +ATOM 81 CD2 LEU A 12 1.822 -0.431 38.697 1.00 18.20 C +ATOM 82 N VAL A 13 0.636 -5.299 37.204 1.00 9.62 N +ATOM 83 CA VAL A 13 0.976 -6.497 36.452 1.00 10.07 C +ATOM 84 C VAL A 13 0.190 -6.575 35.162 1.00 9.43 C +ATOM 85 O VAL A 13 0.737 -6.919 34.091 1.00 9.93 O +ATOM 86 CB VAL A 13 0.750 -7.757 37.321 1.00 10.55 C +ATOM 87 CG1 VAL A 13 0.915 -9.040 36.528 1.00 12.53 C +ATOM 88 CG2 VAL A 13 1.724 -7.785 38.482 1.00 12.19 C +ATOM 89 N ALA A 14 -1.114 -6.271 35.223 1.00 8.90 N +ATOM 90 CA ALA A 14 -1.925 -6.350 34.036 1.00 9.19 C +ATOM 91 C ALA A 14 -1.434 -5.395 32.943 1.00 10.01 C +ATOM 92 O ALA A 14 -1.337 -5.757 31.779 1.00 10.65 O +ATOM 93 CB ALA A 14 -3.381 -6.053 34.356 1.00 10.38 C +ATOM 94 N ILE A 15 -1.141 -4.142 33.356 1.00 8.74 N +ATOM 95 CA ILE A 15 -0.685 -3.181 32.317 1.00 9.90 C +ATOM 96 C ILE A 15 0.670 -3.580 31.780 1.00 8.39 C +ATOM 97 O ILE A 15 0.904 -3.453 30.580 1.00 9.78 O +ATOM 98 CB ILE A 15 -0.733 -1.763 32.915 1.00 10.67 C +ATOM 99 CG1 ILE A 15 -2.175 -1.387 33.260 1.00 11.48 C +ATOM 100 CG2 ILE A 15 -0.115 -0.767 31.920 1.00 11.85 C +ATOM 101 CD1 ILE A 15 -3.206 -1.422 32.145 1.00 14.35 C +ATOM 102 N PHE A 16 1.569 -4.098 32.612 1.00 8.76 N +ATOM 103 CA PHE A 16 2.853 -4.601 32.085 1.00 8.16 C +ATOM 104 C PHE A 16 2.574 -5.632 31.024 1.00 9.08 C +ATOM 105 O PHE A 16 3.194 -5.562 29.947 1.00 10.04 O +ATOM 106 CB PHE A 16 3.649 -5.191 33.249 1.00 9.35 C +ATOM 107 CG PHE A 16 4.994 -5.755 32.831 1.00 8.89 C +ATOM 108 CD1 PHE A 16 6.060 -4.933 32.542 1.00 9.86 C +ATOM 109 CD2 PHE A 16 5.165 -7.132 32.733 1.00 11.72 C +ATOM 110 CE1 PHE A 16 7.274 -5.504 32.184 1.00 11.54 C +ATOM 111 CE2 PHE A 16 6.390 -7.674 32.366 1.00 12.92 C +ATOM 112 CZ PHE A 16 7.438 -6.845 32.067 1.00 12.57 C +ATOM 113 N HIS A 17 1.769 -6.651 31.338 1.00 9.15 N +ATOM 114 CA HIS A 17 1.527 -7.741 30.372 1.00 10.18 C +ATOM 115 C HIS A 17 0.785 -7.306 29.134 1.00 10.19 C +ATOM 116 O HIS A 17 1.029 -7.884 28.064 1.00 11.53 O +ATOM 117 CB HIS A 17 0.768 -8.888 31.023 1.00 11.56 C +ATOM 118 CG HIS A 17 1.627 -9.711 31.926 1.00 11.61 C +ATOM 119 ND1 HIS A 17 1.144 -10.427 33.015 1.00 17.34 N +ATOM 120 CD2 HIS A 17 2.947 -9.956 31.900 1.00 12.98 C +ATOM 121 CE1 HIS A 17 2.152 -11.090 33.576 1.00 18.25 C +ATOM 122 NE2 HIS A 17 3.293 -10.838 32.914 1.00 15.22 N +ATOM 123 N LYS A 18 -0.003 -6.245 29.205 1.00 10.54 N +ATOM 124 CA LYS A 18 -0.650 -5.742 28.007 1.00 11.04 C +ATOM 125 C LYS A 18 0.403 -5.367 26.983 1.00 11.53 C +ATOM 126 O LYS A 18 0.213 -5.546 25.755 1.00 13.76 O +ATOM 127 CB LYS A 18 -1.496 -4.532 28.370 1.00 10.40 C +ATOM 128 CG LYS A 18 -2.140 -3.839 27.164 1.00 13.02 C +ATOM 129 CD LYS A 18 -3.073 -2.722 27.644 1.00 12.94 C +ATOM 130 CE LYS A 18 -3.652 -1.960 26.471 1.00 15.41 C +ATOM 131 NZ LYS A 18 -4.621 -0.887 26.924 1.00 18.42 N +ATOM 132 N TYR A 19 1.507 -4.767 27.416 1.00 10.30 N +ATOM 133 CA TYR A 19 2.545 -4.343 26.483 1.00 9.88 C +ATOM 134 C TYR A 19 3.629 -5.387 26.343 1.00 10.86 C +ATOM 135 O TYR A 19 4.162 -5.527 25.212 1.00 11.99 O +ATOM 136 CB TYR A 19 3.098 -2.982 26.988 1.00 10.17 C +ATOM 137 CG TYR A 19 2.054 -1.908 26.806 1.00 10.53 C +ATOM 138 CD1 TYR A 19 1.060 -1.699 27.767 1.00 9.70 C +ATOM 139 CD2 TYR A 19 1.986 -1.129 25.646 1.00 12.17 C +ATOM 140 CE1 TYR A 19 0.065 -0.767 27.598 1.00 10.98 C +ATOM 141 CE2 TYR A 19 1.000 -0.160 25.475 1.00 12.68 C +ATOM 142 CZ TYR A 19 0.033 -0.024 26.441 1.00 12.24 C +ATOM 143 OH TYR A 19 -0.957 0.942 26.233 1.00 13.17 O +ATOM 144 N SER A 20 4.039 -6.086 27.385 1.00 9.94 N +ATOM 145 CA SER A 20 5.122 -7.057 27.282 1.00 10.39 C +ATOM 146 C SER A 20 4.719 -8.221 26.373 1.00 11.35 C +ATOM 147 O SER A 20 5.595 -8.868 25.788 1.00 13.49 O +ATOM 148 CB SER A 20 5.555 -7.571 28.641 1.00 11.53 C +ATOM 149 OG SER A 20 4.584 -8.448 29.154 1.00 11.24 O +ATOM 150 N GLY A 21 3.434 -8.508 26.300 1.00 13.14 N +ATOM 151 CA GLY A 21 2.984 -9.594 25.419 1.00 17.96 C +ATOM 152 C GLY A 21 3.018 -9.136 23.984 1.00 19.55 C +ATOM 153 O GLY A 21 3.015 -10.068 23.155 1.00 23.91 O +ATOM 154 N ARG A 22 3.164 -7.927 23.545 1.00 18.53 N +ATOM 155 CA ARG A 22 3.082 -7.577 22.122 1.00 20.01 C +ATOM 156 C ARG A 22 4.176 -8.175 21.275 1.00 21.66 C +ATOM 157 O ARG A 22 3.916 -8.542 20.090 1.00 22.81 O +ATOM 158 CB ARG A 22 3.113 -6.054 22.013 1.00 20.80 C +ATOM 159 CG ARG A 22 1.763 -5.509 22.479 1.00 21.11 C +ATOM 160 CD ARG A 22 1.760 -3.980 22.457 1.00 21.94 C +ATOM 161 NE ARG A 22 0.407 -3.560 22.819 1.00 22.32 N +ATOM 162 CZ ARG A 22 -0.086 -2.334 22.742 1.00 21.00 C +ATOM 163 NH1 ARG A 22 0.687 -1.355 22.334 1.00 21.62 N +ATOM 164 NH2 ARG A 22 -1.342 -2.131 23.102 1.00 23.29 N +ATOM 165 N GLU A 23 5.375 -8.294 21.815 1.00 20.72 N +ATOM 166 CA GLU A 23 6.404 -8.922 20.989 1.00 22.00 C +ATOM 167 C GLU A 23 7.325 -9.761 21.832 1.00 20.99 C +ATOM 168 O GLU A 23 7.654 -9.423 22.977 1.00 19.14 O +ATOM 169 CB GLU A 23 7.099 -7.885 20.152 1.00 26.10 C +ATOM 170 CG GLU A 23 8.154 -6.981 20.718 1.00 30.65 C +ATOM 171 CD GLU A 23 9.151 -6.670 19.600 1.00 33.71 C +ATOM 172 OE1 GLU A 23 8.857 -5.762 18.801 1.00 35.64 O +ATOM 173 OE2 GLU A 23 10.180 -7.373 19.528 1.00 35.95 O +ATOM 174 N GLY A 24 7.675 -10.938 21.300 1.00 19.49 N +ATOM 175 CA GLY A 24 8.624 -11.825 21.942 1.00 20.30 C +ATOM 176 C GLY A 24 8.226 -12.349 23.297 1.00 19.06 C +ATOM 177 O GLY A 24 7.192 -12.927 23.579 1.00 21.57 O +ATOM 178 N ASP A 25 9.220 -12.239 24.189 1.00 20.16 N +ATOM 179 CA ASP A 25 9.133 -12.651 25.575 1.00 19.95 C +ATOM 180 C ASP A 25 8.096 -11.879 26.355 1.00 15.18 C +ATOM 181 O ASP A 25 8.253 -10.647 26.434 1.00 15.94 O +ATOM 182 CB ASP A 25 10.537 -12.357 26.143 1.00 21.47 C +ATOM 183 CG ASP A 25 10.743 -12.853 27.557 1.00 20.34 C +ATOM 184 OD1 ASP A 25 9.864 -13.517 28.144 1.00 20.97 O +ATOM 185 OD2 ASP A 25 11.865 -12.564 28.057 1.00 23.58 O +ATOM 186 N LYS A 26 7.174 -12.459 27.074 1.00 14.96 N +ATOM 187 CA LYS A 26 6.217 -11.746 27.896 1.00 16.04 C +ATOM 188 C LYS A 26 6.883 -11.215 29.141 1.00 13.85 C +ATOM 189 O LYS A 26 6.259 -10.425 29.888 1.00 14.46 O +ATOM 190 CB LYS A 26 5.056 -12.668 28.301 1.00 20.71 C +ATOM 191 CG LYS A 26 5.424 -13.833 29.196 1.00 24.66 C +ATOM 192 CD LYS A 26 4.211 -14.405 29.917 1.00 27.95 C +ATOM 193 CE LYS A 26 4.553 -15.556 30.837 1.00 29.58 C +ATOM 194 NZ LYS A 26 3.537 -15.692 31.924 1.00 32.29 N +ATOM 195 N HIS A 27 8.139 -11.561 29.431 1.00 12.15 N +ATOM 196 CA HIS A 27 8.815 -11.057 30.599 1.00 10.45 C +ATOM 197 C HIS A 27 9.462 -9.687 30.367 1.00 10.06 C +ATOM 198 O HIS A 27 10.008 -9.177 31.358 1.00 10.81 O +ATOM 199 CB HIS A 27 9.841 -12.059 31.105 1.00 11.53 C +ATOM 200 CG HIS A 27 9.287 -13.396 31.503 1.00 12.19 C +ATOM 201 ND1 HIS A 27 9.211 -14.465 30.635 1.00 14.58 N +ATOM 202 CD2 HIS A 27 8.796 -13.793 32.686 1.00 14.48 C +ATOM 203 CE1 HIS A 27 8.647 -15.464 31.319 1.00 14.85 C +ATOM 204 NE2 HIS A 27 8.410 -15.119 32.550 1.00 15.67 N +ATOM 205 N THR A 28 9.508 -9.158 29.138 1.00 10.11 N +ATOM 206 CA THR A 28 10.171 -7.850 28.975 1.00 10.65 C +ATOM 207 C THR A 28 9.359 -7.023 27.944 1.00 10.24 C +ATOM 208 O THR A 28 8.555 -7.548 27.192 1.00 11.50 O +ATOM 209 CB THR A 28 11.628 -7.911 28.553 1.00 12.44 C +ATOM 210 OG1 THR A 28 11.764 -8.510 27.268 1.00 15.92 O +ATOM 211 CG2 THR A 28 12.586 -8.612 29.507 1.00 12.45 C +ATOM 212 N LEU A 29 9.658 -5.731 27.955 1.00 10.89 N +ATOM 213 CA LEU A 29 9.117 -4.823 26.925 1.00 10.80 C +ATOM 214 C LEU A 29 10.267 -3.850 26.613 1.00 10.54 C +ATOM 215 O LEU A 29 11.119 -3.557 27.442 1.00 11.41 O +ATOM 216 CB LEU A 29 7.826 -4.115 27.246 1.00 11.86 C +ATOM 217 CG LEU A 29 7.882 -2.946 28.228 1.00 12.37 C +ATOM 218 CD1 LEU A 29 6.603 -2.122 28.202 1.00 14.64 C +ATOM 219 CD2 LEU A 29 8.236 -3.355 29.649 1.00 15.22 C +ATOM 220 N SER A 30 10.262 -3.308 25.402 1.00 10.81 N +ATOM 221 CA SER A 30 11.283 -2.332 25.047 1.00 10.37 C +ATOM 222 C SER A 30 10.996 -0.968 25.641 1.00 9.89 C +ATOM 223 O SER A 30 9.850 -0.661 25.997 1.00 9.76 O +ATOM 224 CB SER A 30 11.336 -2.225 23.511 1.00 12.57 C +ATOM 225 OG SER A 30 10.203 -1.511 23.043 1.00 13.42 O +ATOM 226 N LYS A 31 12.016 -0.105 25.704 1.00 10.03 N +ATOM 227 CA LYS A 31 11.773 1.260 26.205 1.00 10.85 C +ATOM 228 C LYS A 31 10.876 2.050 25.251 1.00 10.17 C +ATOM 229 O LYS A 31 10.119 2.892 25.759 1.00 10.71 O +ATOM 230 CB LYS A 31 13.089 1.943 26.529 1.00 10.57 C +ATOM 231 CG LYS A 31 13.728 1.360 27.800 1.00 11.90 C +ATOM 232 CD LYS A 31 15.022 2.064 28.173 1.00 12.41 C +ATOM 233 CE LYS A 31 15.627 1.362 29.394 1.00 15.64 C +ATOM 234 NZ LYS A 31 17.005 1.865 29.701 1.00 18.99 N +ATOM 235 N LYS A 32 10.908 1.741 23.967 1.00 10.60 N +ATOM 236 CA LYS A 32 9.933 2.351 23.049 1.00 12.50 C +ATOM 237 C LYS A 32 8.494 2.022 23.460 1.00 11.34 C +ATOM 238 O LYS A 32 7.587 2.861 23.528 1.00 11.72 O +ATOM 239 CB LYS A 32 10.182 1.817 21.628 1.00 15.21 C +ATOM 240 CG LYS A 32 9.303 2.462 20.567 1.00 19.91 C +ATOM 241 CD LYS A 32 9.579 1.890 19.171 1.00 24.30 C +ATOM 242 CE LYS A 32 8.821 2.721 18.127 1.00 27.74 C +ATOM 243 NZ LYS A 32 9.206 2.367 16.730 1.00 31.05 N +ATOM 244 N GLU A 33 8.322 0.736 23.757 1.00 10.93 N +ATOM 245 CA GLU A 33 7.022 0.252 24.218 1.00 11.52 C +ATOM 246 C GLU A 33 6.639 0.844 25.577 1.00 9.66 C +ATOM 247 O GLU A 33 5.425 1.144 25.783 1.00 10.56 O +ATOM 248 CB GLU A 33 6.966 -1.268 24.252 1.00 13.65 C +ATOM 249 CG GLU A 33 7.046 -1.953 22.906 1.00 19.93 C +ATOM 250 CD GLU A 33 7.301 -3.442 22.880 1.00 21.52 C +ATOM 251 OE1 GLU A 33 8.208 -4.092 23.476 1.00 21.90 O +ATOM 252 OE2 GLU A 33 6.554 -4.113 22.115 1.00 26.04 O +ATOM 253 N LEU A 34 7.571 0.992 26.482 1.00 9.24 N +ATOM 254 CA LEU A 34 7.290 1.599 27.772 1.00 8.92 C +ATOM 255 C LEU A 34 6.841 3.037 27.604 1.00 9.20 C +ATOM 256 O LEU A 34 5.933 3.493 28.307 1.00 9.70 O +ATOM 257 CB LEU A 34 8.542 1.505 28.634 1.00 9.44 C +ATOM 258 CG LEU A 34 8.414 2.094 30.039 1.00 8.51 C +ATOM 259 CD1 LEU A 34 7.221 1.523 30.786 1.00 10.30 C +ATOM 260 CD2 LEU A 34 9.723 1.887 30.769 1.00 10.81 C +ATOM 261 N LYS A 35 7.472 3.784 26.685 1.00 9.26 N +ATOM 262 CA LYS A 35 7.035 5.150 26.417 1.00 9.79 C +ATOM 263 C LYS A 35 5.600 5.201 25.929 1.00 11.32 C +ATOM 264 O LYS A 35 4.784 6.032 26.381 1.00 11.21 O +ATOM 265 CB LYS A 35 7.990 5.850 25.452 1.00 11.77 C +ATOM 266 CG LYS A 35 7.643 7.340 25.316 1.00 12.84 C +ATOM 267 CD LYS A 35 8.481 7.976 24.200 1.00 17.49 C +ATOM 268 CE LYS A 35 7.995 9.399 23.980 1.00 20.42 C +ATOM 269 NZ LYS A 35 8.478 10.013 22.719 1.00 20.71 N +ATOM 270 N GLU A 36 5.241 4.297 25.024 1.00 10.43 N +ATOM 271 CA GLU A 36 3.880 4.161 24.551 1.00 12.55 C +ATOM 272 C GLU A 36 2.930 3.810 25.684 1.00 11.03 C +ATOM 273 O GLU A 36 1.815 4.402 25.791 1.00 11.52 O +ATOM 274 CB AGLU A 36 3.790 3.086 23.465 0.50 15.26 C +ATOM 275 CB BGLU A 36 3.826 3.124 23.426 0.50 14.31 C +ATOM 276 CG AGLU A 36 4.652 3.277 22.233 0.50 18.72 C +ATOM 277 CG BGLU A 36 2.409 2.826 22.971 0.50 16.32 C +ATOM 278 CD AGLU A 36 4.940 1.961 21.528 0.50 21.42 C +ATOM 279 CD BGLU A 36 2.331 1.751 21.908 0.50 19.77 C +ATOM 280 OE1AGLU A 36 4.053 1.080 21.521 0.50 22.84 O +ATOM 281 OE1BGLU A 36 3.243 1.518 21.091 0.50 22.05 O +ATOM 282 OE2AGLU A 36 6.054 1.803 20.975 0.50 22.29 O +ATOM 283 OE2BGLU A 36 1.257 1.117 21.892 0.50 20.73 O +ATOM 284 N LEU A 37 3.309 2.866 26.553 1.00 10.55 N +ATOM 285 CA LEU A 37 2.514 2.498 27.702 1.00 9.44 C +ATOM 286 C LEU A 37 2.235 3.729 28.564 1.00 9.74 C +ATOM 287 O LEU A 37 1.069 4.003 28.966 1.00 9.97 O +ATOM 288 CB LEU A 37 3.300 1.405 28.453 1.00 10.09 C +ATOM 289 CG LEU A 37 2.691 0.823 29.739 1.00 9.79 C +ATOM 290 CD1 LEU A 37 3.486 -0.455 30.057 1.00 9.91 C +ATOM 291 CD2 LEU A 37 2.731 1.749 30.939 1.00 10.32 C +ATOM 292 N ILE A 38 3.242 4.503 28.906 1.00 9.40 N +ATOM 293 CA ILE A 38 3.006 5.687 29.750 1.00 9.71 C +ATOM 294 C ILE A 38 2.065 6.677 29.069 1.00 10.74 C +ATOM 295 O ILE A 38 1.148 7.203 29.742 1.00 11.24 O +ATOM 296 CB ILE A 38 4.362 6.354 30.080 1.00 12.12 C +ATOM 297 CG1 ILE A 38 5.222 5.429 30.942 1.00 12.96 C +ATOM 298 CG2 ILE A 38 4.194 7.757 30.689 1.00 13.21 C +ATOM 299 CD1 ILE A 38 4.665 4.980 32.239 1.00 16.53 C +ATOM 300 N GLN A 39 2.259 6.938 27.796 1.00 10.07 N +ATOM 301 CA GLN A 39 1.434 7.938 27.122 1.00 11.90 C +ATOM 302 C GLN A 39 0.010 7.466 26.946 1.00 11.28 C +ATOM 303 O GLN A 39 -0.951 8.287 26.948 1.00 14.18 O +ATOM 304 CB GLN A 39 2.056 8.251 25.759 1.00 13.66 C +ATOM 305 CG GLN A 39 3.373 8.989 25.802 1.00 16.95 C +ATOM 306 CD GLN A 39 4.093 9.116 24.471 1.00 21.11 C +ATOM 307 OE1 GLN A 39 3.922 8.281 23.581 1.00 23.98 O +ATOM 308 NE2 GLN A 39 4.928 10.134 24.327 1.00 25.01 N +ATOM 309 N LYS A 40 -0.234 6.169 26.813 1.00 10.70 N +ATOM 310 CA LYS A 40 -1.577 5.668 26.645 1.00 11.67 C +ATOM 311 C LYS A 40 -2.285 5.328 27.924 1.00 9.85 C +ATOM 312 O LYS A 40 -3.535 5.458 27.978 1.00 13.77 O +ATOM 313 CB LYS A 40 -1.527 4.419 25.720 1.00 14.02 C +ATOM 314 CG LYS A 40 -1.066 4.865 24.325 1.00 20.51 C +ATOM 315 CD LYS A 40 -1.239 3.828 23.240 1.00 24.41 C +ATOM 316 CE LYS A 40 -1.459 4.446 21.871 1.00 29.04 C +ATOM 317 NZ LYS A 40 -0.917 5.835 21.809 1.00 32.85 N +ATOM 318 N GLU A 41 -1.569 4.943 28.979 1.00 9.59 N +ATOM 319 CA GLU A 41 -2.203 4.403 30.161 1.00 8.85 C +ATOM 320 C GLU A 41 -2.338 5.403 31.280 1.00 8.28 C +ATOM 321 O GLU A 41 -2.994 5.096 32.284 1.00 9.81 O +ATOM 322 CB GLU A 41 -1.411 3.169 30.622 1.00 9.43 C +ATOM 323 CG GLU A 41 -1.379 2.042 29.599 1.00 10.66 C +ATOM 324 CD GLU A 41 -2.713 1.464 29.235 1.00 11.38 C +ATOM 325 OE1 GLU A 41 -3.653 1.493 30.038 1.00 11.85 O +ATOM 326 OE2 GLU A 41 -2.810 0.898 28.101 1.00 12.47 O +ATOM 327 N LEU A 42 -1.710 6.544 31.202 1.00 8.97 N +ATOM 328 CA LEU A 42 -1.808 7.600 32.207 1.00 8.87 C +ATOM 329 C LEU A 42 -2.396 8.869 31.548 1.00 8.39 C +ATOM 330 O LEU A 42 -2.085 9.134 30.383 1.00 9.77 O +ATOM 331 CB LEU A 42 -0.428 7.974 32.746 1.00 9.80 C +ATOM 332 CG LEU A 42 0.277 6.840 33.481 1.00 10.27 C +ATOM 333 CD1 LEU A 42 1.667 7.239 33.925 1.00 11.98 C +ATOM 334 CD2 LEU A 42 -0.531 6.396 34.694 1.00 10.80 C +ATOM 335 N THR A 43 -3.095 9.655 32.344 1.00 9.41 N +ATOM 336 CA THR A 43 -3.571 10.956 31.804 1.00 8.61 C +ATOM 337 C THR A 43 -2.431 11.945 31.977 1.00 9.63 C +ATOM 338 O THR A 43 -2.438 12.790 32.894 1.00 9.83 O +ATOM 339 CB THR A 43 -4.862 11.405 32.495 1.00 9.96 C +ATOM 340 OG1 THR A 43 -5.844 10.369 32.264 1.00 10.67 O +ATOM 341 CG2 THR A 43 -5.399 12.724 31.939 1.00 10.48 C +ATOM 342 N ILE A 44 -1.433 11.804 31.129 1.00 8.77 N +ATOM 343 CA ILE A 44 -0.194 12.577 31.267 1.00 9.87 C +ATOM 344 C ILE A 44 -0.064 13.608 30.167 1.00 9.30 C +ATOM 345 O ILE A 44 0.909 14.362 30.162 1.00 10.20 O +ATOM 346 CB ILE A 44 0.987 11.582 31.348 1.00 9.84 C +ATOM 347 CG1 ILE A 44 2.317 12.223 31.815 1.00 10.72 C +ATOM 348 CG2 ILE A 44 1.178 10.852 30.037 1.00 11.72 C +ATOM 349 CD1 ILE A 44 3.308 11.190 32.315 1.00 11.70 C +ATOM 350 N GLY A 45 -1.031 13.682 29.256 1.00 10.11 N +ATOM 351 CA GLY A 45 -0.876 14.581 28.122 1.00 11.05 C +ATOM 352 C GLY A 45 -0.688 16.028 28.518 1.00 12.14 C +ATOM 353 O GLY A 45 0.037 16.753 27.779 1.00 16.66 O +ATOM 354 N SER A 46 -1.201 16.534 29.595 1.00 10.75 N +ATOM 355 CA SER A 46 -1.015 17.939 29.973 1.00 11.74 C +ATOM 356 C SER A 46 0.342 18.173 30.592 1.00 10.72 C +ATOM 357 O SER A 46 0.726 19.352 30.820 1.00 12.13 O +ATOM 358 CB SER A 46 -2.121 18.364 30.940 1.00 12.30 C +ATOM 359 OG SER A 46 -1.908 17.866 32.207 1.00 12.89 O +ATOM 360 N LYS A 47 1.099 17.112 30.909 1.00 10.73 N +ATOM 361 CA LYS A 47 2.309 17.237 31.678 1.00 11.68 C +ATOM 362 C LYS A 47 3.565 16.835 30.941 1.00 11.35 C +ATOM 363 O LYS A 47 4.663 16.855 31.492 1.00 12.36 O +ATOM 364 CB LYS A 47 2.215 16.319 32.928 1.00 14.48 C +ATOM 365 CG LYS A 47 1.052 16.737 33.815 1.00 19.09 C +ATOM 366 CD LYS A 47 0.826 15.909 35.047 1.00 23.25 C +ATOM 367 CE LYS A 47 -0.553 16.280 35.582 1.00 26.98 C +ATOM 368 NZ LYS A 47 -0.631 17.701 36.001 1.00 29.76 N +ATOM 369 N LEU A 48 3.419 16.403 29.684 1.00 13.93 N +ATOM 370 CA LEU A 48 4.585 15.876 28.945 1.00 14.83 C +ATOM 371 C LEU A 48 5.673 16.906 28.698 1.00 16.10 C +ATOM 372 O LEU A 48 6.811 16.436 28.476 1.00 17.75 O +ATOM 373 CB LEU A 48 4.133 15.139 27.689 1.00 15.65 C +ATOM 374 CG LEU A 48 3.461 13.779 27.913 1.00 14.72 C +ATOM 375 CD1 LEU A 48 2.771 13.376 26.608 1.00 16.78 C +ATOM 376 CD2 LEU A 48 4.368 12.664 28.379 1.00 15.22 C +ATOM 377 N GLN A 49 5.397 18.200 28.771 1.00 15.08 N +ATOM 378 CA GLN A 49 6.431 19.199 28.612 1.00 16.62 C +ATOM 379 C GLN A 49 6.953 19.716 29.934 1.00 14.64 C +ATOM 380 O GLN A 49 7.816 20.620 29.909 1.00 16.03 O +ATOM 381 CB GLN A 49 5.876 20.356 27.772 1.00 19.78 C +ATOM 382 CG GLN A 49 5.367 19.898 26.416 1.00 26.23 C +ATOM 383 CD GLN A 49 6.382 19.885 25.307 1.00 29.48 C +ATOM 384 OE1 GLN A 49 7.570 19.614 25.501 1.00 32.75 O +ATOM 385 NE2 GLN A 49 5.910 20.188 24.095 1.00 30.41 N +ATOM 386 N ASP A 50 6.520 19.183 31.061 1.00 12.89 N +ATOM 387 CA ASP A 50 7.093 19.526 32.357 1.00 12.08 C +ATOM 388 C ASP A 50 8.552 19.156 32.281 1.00 9.92 C +ATOM 389 O ASP A 50 8.950 18.152 31.704 1.00 11.95 O +ATOM 390 CB ASP A 50 6.381 18.677 33.410 1.00 14.01 C +ATOM 391 CG ASP A 50 7.110 18.613 34.721 1.00 17.43 C +ATOM 392 OD1 ASP A 50 6.878 19.590 35.482 1.00 20.67 O +ATOM 393 OD2 ASP A 50 7.907 17.674 34.962 1.00 18.35 O +ATOM 394 N ALA A 51 9.399 19.986 32.896 1.00 10.99 N +ATOM 395 CA ALA A 51 10.830 19.806 32.740 1.00 12.06 C +ATOM 396 C ALA A 51 11.309 18.415 33.110 1.00 11.98 C +ATOM 397 O ALA A 51 12.061 17.761 32.363 1.00 13.23 O +ATOM 398 CB ALA A 51 11.610 20.847 33.520 1.00 12.71 C +ATOM 399 N GLU A 52 10.891 17.878 34.248 1.00 10.90 N +ATOM 400 CA GLU A 52 11.389 16.568 34.646 1.00 11.65 C +ATOM 401 C GLU A 52 10.754 15.435 33.867 1.00 10.18 C +ATOM 402 O GLU A 52 11.441 14.499 33.479 1.00 11.59 O +ATOM 403 CB GLU A 52 11.177 16.419 36.160 1.00 13.55 C +ATOM 404 CG GLU A 52 12.087 17.382 36.916 1.00 15.11 C +ATOM 405 CD GLU A 52 11.676 17.454 38.372 1.00 20.07 C +ATOM 406 OE1 GLU A 52 10.691 18.155 38.635 1.00 23.92 O +ATOM 407 OE2 GLU A 52 12.439 16.843 39.130 1.00 22.77 O +ATOM 408 N ILE A 53 9.445 15.519 33.600 1.00 10.19 N +ATOM 409 CA ILE A 53 8.811 14.418 32.854 1.00 10.60 C +ATOM 410 C ILE A 53 9.364 14.332 31.457 1.00 10.16 C +ATOM 411 O ILE A 53 9.622 13.236 30.952 1.00 10.91 O +ATOM 412 CB ILE A 53 7.303 14.586 32.852 1.00 10.34 C +ATOM 413 CG1 ILE A 53 6.744 14.356 34.246 1.00 11.56 C +ATOM 414 CG2 ILE A 53 6.611 13.655 31.859 1.00 12.05 C +ATOM 415 CD1 ILE A 53 5.258 14.634 34.392 1.00 12.75 C +ATOM 416 N ALA A 54 9.624 15.470 30.817 1.00 10.05 N +ATOM 417 CA ALA A 54 10.118 15.451 29.437 1.00 10.52 C +ATOM 418 C ALA A 54 11.473 14.767 29.392 1.00 11.00 C +ATOM 419 O ALA A 54 11.793 14.070 28.420 1.00 12.15 O +ATOM 420 CB ALA A 54 10.231 16.871 28.958 1.00 11.86 C +ATOM 421 N ARG A 55 12.302 14.895 30.401 1.00 11.04 N +ATOM 422 CA ARG A 55 13.602 14.235 30.397 1.00 11.69 C +ATOM 423 C ARG A 55 13.435 12.746 30.560 1.00 12.08 C +ATOM 424 O ARG A 55 14.195 11.958 29.972 1.00 12.67 O +ATOM 425 CB ARG A 55 14.499 14.781 31.492 1.00 14.20 C +ATOM 426 CG ARG A 55 15.427 15.868 30.918 1.00 15.63 C +ATOM 427 CD ARG A 55 14.649 17.139 30.650 1.00 17.82 C +ATOM 428 NE ARG A 55 14.221 17.324 29.268 1.00 17.02 N +ATOM 429 CZ ARG A 55 13.471 18.372 28.944 1.00 17.39 C +ATOM 430 NH1 ARG A 55 13.083 19.147 29.952 1.00 15.49 N +ATOM 431 NH2 ARG A 55 13.157 18.544 27.673 1.00 16.93 N +ATOM 432 N LEU A 56 12.469 12.258 31.342 1.00 12.26 N +ATOM 433 CA LEU A 56 12.247 10.805 31.436 1.00 13.39 C +ATOM 434 C LEU A 56 11.780 10.292 30.082 1.00 12.80 C +ATOM 435 O LEU A 56 12.227 9.200 29.626 1.00 14.17 O +ATOM 436 CB LEU A 56 11.139 10.577 32.457 1.00 16.62 C +ATOM 437 CG LEU A 56 11.417 10.607 33.944 1.00 20.81 C +ATOM 438 CD1 LEU A 56 10.347 9.741 34.648 1.00 23.46 C +ATOM 439 CD2 LEU A 56 12.801 10.156 34.360 1.00 23.20 C +ATOM 448 N GLU A 58 12.437 11.557 27.105 1.00 13.21 N +ATOM 449 CA GLU A 58 13.576 11.622 26.204 1.00 14.99 C +ATOM 450 C GLU A 58 14.497 10.460 26.484 1.00 13.45 C +ATOM 451 O GLU A 58 15.109 9.930 25.522 1.00 15.00 O +ATOM 452 CB GLU A 58 14.337 12.943 26.337 1.00 15.35 C +ATOM 453 CG GLU A 58 13.683 14.159 25.724 1.00 19.83 C +ATOM 454 CD GLU A 58 14.138 15.492 26.286 1.00 22.37 C +ATOM 455 OE1 GLU A 58 14.999 15.620 27.167 1.00 22.08 O +ATOM 456 OE2 GLU A 58 13.510 16.485 25.834 1.00 27.24 O +ATOM 457 N ASP A 59 14.701 10.107 27.737 1.00 12.08 N +ATOM 458 CA ASP A 59 15.609 8.991 28.019 1.00 14.59 C +ATOM 459 C ASP A 59 15.105 7.668 27.465 1.00 12.78 C +ATOM 460 O ASP A 59 15.868 6.871 26.931 1.00 13.92 O +ATOM 461 CB ASP A 59 15.931 8.902 29.516 1.00 18.14 C +ATOM 462 CG ASP A 59 17.233 8.089 29.638 1.00 24.10 C +ATOM 463 OD1 ASP A 59 18.328 8.509 29.168 1.00 27.27 O +ATOM 464 OD2 ASP A 59 17.182 6.993 30.190 1.00 28.61 O +ATOM 465 N LEU A 60 13.784 7.488 27.525 1.00 12.02 N +ATOM 466 CA LEU A 60 13.206 6.294 26.902 1.00 12.10 C +ATOM 467 C LEU A 60 13.480 6.311 25.410 1.00 12.17 C +ATOM 468 O LEU A 60 13.891 5.292 24.858 1.00 14.14 O +ATOM 469 CB LEU A 60 11.733 6.172 27.173 1.00 11.42 C +ATOM 470 CG LEU A 60 11.331 5.972 28.643 1.00 12.40 C +ATOM 471 CD1 LEU A 60 9.818 5.836 28.804 1.00 13.24 C +ATOM 472 CD2 LEU A 60 11.994 4.714 29.196 1.00 14.89 C +ATOM 473 N ASP A 61 13.248 7.413 24.722 1.00 13.65 N +ATOM 474 CA ASP A 61 13.506 7.457 23.277 1.00 13.91 C +ATOM 475 C ASP A 61 14.991 7.313 22.995 1.00 13.43 C +ATOM 476 O ASP A 61 15.294 6.539 22.057 1.00 14.06 O +ATOM 477 CB ASP A 61 13.040 8.808 22.741 1.00 18.75 C +ATOM 478 CG ASP A 61 11.573 8.917 22.384 1.00 23.60 C +ATOM 479 OD1 ASP A 61 10.916 7.939 21.986 1.00 28.67 O +ATOM 480 OD2 ASP A 61 11.030 10.035 22.459 1.00 27.28 O +ATOM 481 N ARG A 62 15.889 7.841 23.773 1.00 13.37 N +ATOM 482 CA ARG A 62 17.318 7.688 23.517 1.00 14.74 C +ATOM 483 C ARG A 62 17.776 6.257 23.692 1.00 13.14 C +ATOM 484 O ARG A 62 18.757 5.836 23.074 1.00 14.87 O +ATOM 485 CB ARG A 62 18.052 8.615 24.495 1.00 17.91 C +ATOM 486 CG ARG A 62 18.084 10.054 24.010 1.00 24.06 C +ATOM 487 CD ARG A 62 19.290 10.813 24.538 1.00 29.58 C +ATOM 488 NE ARG A 62 20.043 11.569 23.552 1.00 33.45 N +ATOM 489 CZ ARG A 62 19.601 12.363 22.587 1.00 34.68 C +ATOM 490 NH1 ARG A 62 18.311 12.586 22.375 1.00 36.48 N +ATOM 491 NH2 ARG A 62 20.470 12.965 21.779 1.00 36.36 N +ATOM 492 N ASN A 63 17.060 5.461 24.500 1.00 12.19 N +ATOM 493 CA ASN A 63 17.373 4.073 24.775 1.00 12.31 C +ATOM 494 C ASN A 63 16.262 3.159 24.318 1.00 11.50 C +ATOM 495 O ASN A 63 16.043 2.075 24.892 1.00 11.63 O +ATOM 496 CB ASN A 63 17.581 3.886 26.299 1.00 13.22 C +ATOM 497 CG ASN A 63 18.810 4.684 26.659 1.00 14.20 C +ATOM 498 OD1 ASN A 63 19.944 4.288 26.330 1.00 15.11 O +ATOM 499 ND2 ASN A 63 18.635 5.848 27.261 1.00 18.32 N +ATOM 500 N LYS A 64 15.597 3.509 23.229 1.00 11.57 N +ATOM 501 CA LYS A 64 14.360 2.874 22.790 1.00 11.42 C +ATOM 502 C LYS A 64 14.406 1.392 22.553 1.00 11.97 C +ATOM 503 O LYS A 64 13.391 0.696 22.704 1.00 11.94 O +ATOM 504 CB LYS A 64 13.901 3.583 21.490 1.00 13.52 C +ATOM 505 CG LYS A 64 14.879 3.429 20.324 1.00 13.24 C +ATOM 506 CD LYS A 64 14.382 4.236 19.121 1.00 14.96 C +ATOM 507 CE ALYS A 64 15.284 3.994 17.912 0.50 15.65 C +ATOM 508 CE BLYS A 64 15.476 4.331 18.044 0.50 13.53 C +ATOM 509 NZ ALYS A 64 15.050 5.052 16.892 0.50 17.56 N +ATOM 510 NZ BLYS A 64 15.643 3.020 17.353 0.50 14.70 N +ATOM 511 N ASP A 65 15.564 0.862 22.165 1.00 12.09 N +ATOM 512 CA ASP A 65 15.668 -0.572 21.862 1.00 13.12 C +ATOM 513 C ASP A 65 16.099 -1.402 23.059 1.00 12.89 C +ATOM 514 O ASP A 65 16.278 -2.629 22.876 1.00 17.23 O +ATOM 515 CB ASP A 65 16.600 -0.772 20.665 1.00 15.62 C +ATOM 516 CG ASP A 65 16.014 -0.129 19.416 1.00 18.19 C +ATOM 517 OD1 ASP A 65 14.844 -0.448 19.105 1.00 20.67 O +ATOM 518 OD2 ASP A 65 16.688 0.718 18.776 1.00 20.33 O +ATOM 519 N GLN A 66 16.416 -0.788 24.156 1.00 12.36 N +ATOM 520 CA GLN A 66 16.778 -1.538 25.352 1.00 12.99 C +ATOM 521 C GLN A 66 15.546 -2.187 25.969 1.00 12.28 C +ATOM 522 O GLN A 66 14.427 -1.622 25.924 1.00 13.90 O +ATOM 523 CB GLN A 66 17.434 -0.623 26.362 1.00 13.18 C +ATOM 524 CG GLN A 66 18.801 -0.142 25.866 1.00 15.78 C +ATOM 525 CD GLN A 66 19.495 0.662 26.931 1.00 19.01 C +ATOM 526 OE1 GLN A 66 18.969 1.205 27.877 1.00 18.42 O +ATOM 527 NE2 GLN A 66 20.831 0.735 26.826 1.00 21.06 N +ATOM 528 N GLU A 67 15.673 -3.385 26.503 1.00 12.89 N +ATOM 529 CA GLU A 67 14.581 -4.109 27.141 1.00 12.09 C +ATOM 530 C GLU A 67 14.481 -3.728 28.603 1.00 11.04 C +ATOM 531 O GLU A 67 15.445 -3.305 29.205 1.00 12.48 O +ATOM 532 CB GLU A 67 14.745 -5.639 27.026 1.00 14.49 C +ATOM 533 CG GLU A 67 14.496 -6.041 25.562 1.00 18.19 C +ATOM 534 CD GLU A 67 13.108 -5.907 24.998 1.00 20.54 C +ATOM 535 OE1 GLU A 67 12.107 -6.329 25.625 1.00 21.34 O +ATOM 536 OE2 GLU A 67 12.881 -5.422 23.852 1.00 23.12 O +ATOM 537 N VAL A 68 13.285 -3.931 29.158 1.00 10.37 N +ATOM 538 CA VAL A 68 12.939 -3.637 30.538 1.00 10.29 C +ATOM 539 C VAL A 68 12.204 -4.869 31.105 1.00 8.78 C +ATOM 540 O VAL A 68 11.252 -5.284 30.464 1.00 10.11 O +ATOM 541 CB VAL A 68 11.987 -2.406 30.506 1.00 12.30 C +ATOM 542 CG1 VAL A 68 11.558 -2.001 31.903 1.00 13.01 C +ATOM 543 CG2 VAL A 68 12.549 -1.226 29.724 1.00 13.38 C +ATOM 544 N ASN A 69 12.668 -5.325 32.252 1.00 7.93 N +ATOM 545 CA ASN A 69 11.946 -6.428 32.910 1.00 7.86 C +ATOM 546 C ASN A 69 10.912 -5.828 33.856 1.00 7.77 C +ATOM 547 O ASN A 69 10.763 -4.608 34.002 1.00 7.86 O +ATOM 548 CB ASN A 69 12.903 -7.386 33.573 1.00 8.49 C +ATOM 549 CG ASN A 69 13.689 -6.823 34.742 1.00 8.82 C +ATOM 550 OD1 ASN A 69 13.409 -5.720 35.201 1.00 9.81 O +ATOM 551 ND2 ASN A 69 14.658 -7.588 35.223 1.00 10.04 N +ATOM 552 N PHE A 70 10.129 -6.704 34.521 1.00 8.08 N +ATOM 553 CA PHE A 70 9.079 -6.240 35.412 1.00 8.10 C +ATOM 554 C PHE A 70 9.616 -5.398 36.559 1.00 7.65 C +ATOM 555 O PHE A 70 9.080 -4.296 36.851 1.00 8.10 O +ATOM 556 CB PHE A 70 8.261 -7.432 35.926 1.00 8.35 C +ATOM 557 CG PHE A 70 7.189 -6.980 36.879 1.00 8.25 C +ATOM 558 CD1 PHE A 70 6.017 -6.452 36.446 1.00 8.50 C +ATOM 559 CD2 PHE A 70 7.386 -7.071 38.238 1.00 9.70 C +ATOM 560 CE1 PHE A 70 5.026 -6.040 37.347 1.00 9.78 C +ATOM 561 CE2 PHE A 70 6.427 -6.661 39.137 1.00 10.52 C +ATOM 562 CZ PHE A 70 5.241 -6.146 38.701 1.00 10.44 C +ATOM 563 N GLN A 71 10.675 -5.825 37.190 1.00 7.44 N +ATOM 564 CA GLN A 71 11.257 -5.057 38.287 1.00 8.50 C +ATOM 565 C GLN A 71 11.651 -3.658 37.826 1.00 8.15 C +ATOM 566 O GLN A 71 11.373 -2.668 38.552 1.00 8.68 O +ATOM 567 CB GLN A 71 12.481 -5.790 38.853 1.00 8.52 C +ATOM 568 CG GLN A 71 13.318 -4.993 39.859 1.00 9.66 C +ATOM 569 CD GLN A 71 12.620 -4.812 41.178 1.00 9.39 C +ATOM 570 OE1 GLN A 71 12.824 -5.612 42.097 1.00 11.83 O +ATOM 571 NE2 GLN A 71 11.828 -3.771 41.357 1.00 10.27 N +ATOM 572 N GLU A 72 12.286 -3.537 36.680 1.00 8.44 N +ATOM 573 CA GLU A 72 12.720 -2.225 36.194 1.00 8.59 C +ATOM 574 C GLU A 72 11.523 -1.381 35.793 1.00 7.80 C +ATOM 575 O GLU A 72 11.557 -0.131 36.009 1.00 8.51 O +ATOM 576 CB GLU A 72 13.649 -2.470 34.983 1.00 9.07 C +ATOM 577 CG GLU A 72 14.964 -3.108 35.428 1.00 11.55 C +ATOM 578 CD GLU A 72 15.631 -3.850 34.284 1.00 13.09 C +ATOM 579 OE1 GLU A 72 15.181 -3.923 33.152 1.00 14.35 O +ATOM 580 OE2 GLU A 72 16.728 -4.452 34.507 1.00 16.81 O +ATOM 581 N TYR A 73 10.484 -1.951 35.246 1.00 7.43 N +ATOM 582 CA TYR A 73 9.226 -1.248 34.947 1.00 8.26 C +ATOM 583 C TYR A 73 8.645 -0.677 36.207 1.00 7.99 C +ATOM 584 O TYR A 73 8.229 0.500 36.222 1.00 8.33 O +ATOM 585 CB TYR A 73 8.294 -2.194 34.222 1.00 8.17 C +ATOM 586 CG TYR A 73 6.825 -1.940 34.396 1.00 7.76 C +ATOM 587 CD1 TYR A 73 6.112 -1.029 33.635 1.00 7.91 C +ATOM 588 CD2 TYR A 73 6.077 -2.714 35.302 1.00 7.70 C +ATOM 589 CE1 TYR A 73 4.746 -0.876 33.766 1.00 8.31 C +ATOM 590 CE2 TYR A 73 4.700 -2.548 35.425 1.00 8.04 C +ATOM 591 CZ TYR A 73 4.035 -1.659 34.641 1.00 7.92 C +ATOM 592 OH TYR A 73 2.666 -1.498 34.733 1.00 9.08 O +ATOM 593 N VAL A 74 8.534 -1.453 37.277 1.00 8.14 N +ATOM 594 CA VAL A 74 7.980 -0.965 38.530 1.00 7.65 C +ATOM 595 C VAL A 74 8.838 0.148 39.090 1.00 7.78 C +ATOM 596 O VAL A 74 8.323 1.207 39.530 1.00 8.44 O +ATOM 597 CB VAL A 74 7.771 -2.108 39.528 1.00 8.90 C +ATOM 598 CG1 VAL A 74 7.323 -1.547 40.854 1.00 10.18 C +ATOM 599 CG2 VAL A 74 6.724 -3.097 39.016 1.00 9.34 C +ATOM 600 N THR A 75 10.176 -0.043 39.111 1.00 7.64 N +ATOM 601 CA THR A 75 11.050 1.036 39.570 1.00 7.99 C +ATOM 602 C THR A 75 10.797 2.319 38.799 1.00 7.92 C +ATOM 603 O THR A 75 10.781 3.407 39.377 1.00 8.73 O +ATOM 604 CB THR A 75 12.527 0.589 39.525 1.00 8.77 C +ATOM 605 OG1 THR A 75 12.642 -0.526 40.468 1.00 8.59 O +ATOM 606 CG2 THR A 75 13.518 1.678 39.788 1.00 9.51 C +ATOM 607 N PHE A 76 10.705 2.214 37.491 1.00 8.08 N +ATOM 608 CA PHE A 76 10.460 3.375 36.622 1.00 9.10 C +ATOM 609 C PHE A 76 9.159 4.041 36.964 1.00 8.58 C +ATOM 610 O PHE A 76 9.072 5.277 37.028 1.00 9.09 O +ATOM 611 CB PHE A 76 10.475 2.890 35.150 1.00 9.77 C +ATOM 612 CG PHE A 76 10.127 4.015 34.206 1.00 11.80 C +ATOM 613 CD1 PHE A 76 11.108 4.834 33.726 1.00 14.45 C +ATOM 614 CD2 PHE A 76 8.826 4.316 33.822 1.00 14.68 C +ATOM 615 CE1 PHE A 76 10.842 5.898 32.856 1.00 17.24 C +ATOM 616 CE2 PHE A 76 8.526 5.349 32.943 1.00 17.37 C +ATOM 617 CZ PHE A 76 9.561 6.127 32.492 1.00 17.67 C +ATOM 618 N LEU A 77 8.088 3.276 37.209 1.00 8.54 N +ATOM 619 CA LEU A 77 6.828 3.898 37.610 1.00 9.64 C +ATOM 620 C LEU A 77 6.985 4.657 38.892 1.00 8.60 C +ATOM 621 O LEU A 77 6.326 5.701 39.080 1.00 9.38 O +ATOM 622 CB LEU A 77 5.719 2.879 37.765 1.00 9.87 C +ATOM 623 CG LEU A 77 5.226 2.263 36.445 1.00 12.68 C +ATOM 624 CD1 LEU A 77 4.106 1.264 36.768 1.00 14.71 C +ATOM 625 CD2 LEU A 77 4.777 3.305 35.441 1.00 13.76 C +ATOM 626 N GLY A 78 7.787 4.190 39.824 1.00 8.59 N +ATOM 627 CA GLY A 78 8.057 4.946 41.042 1.00 8.97 C +ATOM 628 C GLY A 78 8.765 6.263 40.752 1.00 8.00 C +ATOM 629 O GLY A 78 8.372 7.336 41.281 1.00 9.33 O +ATOM 630 N ALA A 79 9.744 6.236 39.860 1.00 8.79 N +ATOM 631 CA ALA A 79 10.443 7.459 39.474 1.00 8.66 C +ATOM 632 C ALA A 79 9.476 8.439 38.854 1.00 8.61 C +ATOM 633 O ALA A 79 9.523 9.660 39.149 1.00 9.83 O +ATOM 634 CB ALA A 79 11.568 7.102 38.520 1.00 9.74 C +ATOM 635 N LEU A 80 8.620 7.964 37.952 1.00 8.36 N +ATOM 636 CA LEU A 80 7.677 8.862 37.294 1.00 9.74 C +ATOM 637 C LEU A 80 6.681 9.376 38.291 1.00 9.04 C +ATOM 638 O LEU A 80 6.343 10.579 38.251 1.00 9.68 O +ATOM 639 CB LEU A 80 6.960 8.048 36.212 1.00 10.30 C +ATOM 640 CG LEU A 80 5.826 8.797 35.487 1.00 11.08 C +ATOM 641 CD1 LEU A 80 6.338 10.076 34.855 1.00 13.31 C +ATOM 642 CD2 LEU A 80 5.206 7.918 34.425 1.00 14.04 C +ATOM 643 N ALA A 81 6.126 8.537 39.174 1.00 9.24 N +ATOM 644 CA ALA A 81 5.159 9.033 40.154 1.00 9.03 C +ATOM 645 C ALA A 81 5.681 10.198 40.946 1.00 8.61 C +ATOM 646 O ALA A 81 4.939 11.154 41.243 1.00 9.31 O +ATOM 647 CB ALA A 81 4.704 7.913 41.061 1.00 9.52 C +ATOM 648 N LEU A 82 6.951 10.182 41.336 1.00 8.54 N +ATOM 649 CA LEU A 82 7.497 11.295 42.097 1.00 10.14 C +ATOM 650 C LEU A 82 7.377 12.636 41.389 1.00 10.49 C +ATOM 651 O LEU A 82 7.245 13.673 42.088 1.00 12.23 O +ATOM 652 CB LEU A 82 8.982 11.016 42.381 1.00 10.20 C +ATOM 653 CG LEU A 82 9.216 9.977 43.476 1.00 11.35 C +ATOM 654 CD1 LEU A 82 10.598 9.364 43.412 1.00 13.93 C +ATOM 655 CD2 LEU A 82 8.977 10.583 44.879 1.00 11.23 C +ATOM 656 N ILE A 83 7.406 12.666 40.082 1.00 9.56 N +ATOM 657 CA ILE A 83 7.341 13.917 39.336 1.00 12.13 C +ATOM 658 C ILE A 83 6.010 14.082 38.662 1.00 11.17 C +ATOM 659 O ILE A 83 5.781 15.111 37.985 1.00 14.41 O +ATOM 660 CB ILE A 83 8.480 14.006 38.310 1.00 13.02 C +ATOM 661 CG1 ILE A 83 8.511 12.822 37.334 1.00 11.71 C +ATOM 662 CG2 ILE A 83 9.818 14.095 39.067 1.00 14.70 C +ATOM 663 CD1 ILE A 83 9.585 12.945 36.264 1.00 13.83 C +ATOM 664 N TYR A 84 5.045 13.198 38.763 1.00 11.74 N +ATOM 665 CA TYR A 84 3.767 13.244 38.108 1.00 11.09 C +ATOM 666 C TYR A 84 2.614 13.243 39.059 1.00 11.96 C +ATOM 667 O TYR A 84 1.573 13.890 38.764 1.00 13.66 O +ATOM 668 CB TYR A 84 3.707 12.012 37.186 1.00 12.44 C +ATOM 669 CG TYR A 84 2.369 11.663 36.628 1.00 11.44 C +ATOM 670 CD1 TYR A 84 1.747 12.436 35.657 1.00 11.72 C +ATOM 671 CD2 TYR A 84 1.713 10.520 37.070 1.00 12.27 C +ATOM 672 CE1 TYR A 84 0.501 12.114 35.168 1.00 11.20 C +ATOM 673 CE2 TYR A 84 0.477 10.172 36.575 1.00 10.91 C +ATOM 674 CZ TYR A 84 -0.118 10.965 35.594 1.00 10.32 C +ATOM 675 OH TYR A 84 -1.360 10.664 35.077 1.00 12.37 O +ATOM 676 N ASN A 85 2.627 12.456 40.122 1.00 12.77 N +ATOM 677 CA ASN A 85 1.478 12.355 41.021 1.00 13.50 C +ATOM 678 C ASN A 85 1.401 13.518 41.957 1.00 13.18 C +ATOM 679 O ASN A 85 2.337 13.907 42.619 1.00 13.50 O +ATOM 680 CB ASN A 85 1.616 10.970 41.679 1.00 15.02 C +ATOM 681 CG ASN A 85 0.397 10.677 42.535 1.00 16.69 C +ATOM 682 OD1 ASN A 85 0.499 11.183 43.633 1.00 17.96 O +ATOM 683 ND2 ASN A 85 -0.560 9.937 41.988 1.00 17.57 N +ATOM 684 N GLU A 86 0.192 14.171 42.071 1.00 16.16 N +ATOM 685 CA GLU A 86 0.016 15.342 42.888 1.00 16.94 C +ATOM 686 C GLU A 86 0.289 15.281 44.398 1.00 15.76 C +ATOM 687 O GLU A 86 0.816 16.138 45.062 1.00 17.96 O +ATOM 688 CB GLU A 86 -1.366 16.015 42.847 1.00 19.63 C +ATOM 689 CG GLU A 86 -1.603 17.158 41.935 1.00 21.66 C +ATOM 690 CD GLU A 86 -0.578 18.034 41.303 1.00 23.27 C +ATOM 691 OE1 GLU A 86 0.326 17.611 40.552 1.00 27.97 O +ATOM 692 OE2 GLU A 86 -0.624 19.275 41.509 1.00 27.69 O +ATOM 693 N ALA A 87 -0.100 14.082 44.906 1.00 17.62 N +ATOM 694 CA ALA A 87 0.083 13.751 46.309 1.00 19.58 C +ATOM 695 C ALA A 87 1.544 13.621 46.693 1.00 19.67 C +ATOM 696 O ALA A 87 1.852 13.771 47.876 1.00 24.19 O +ATOM 697 CB ALA A 87 -0.717 12.508 46.701 1.00 20.78 C +ATOM 698 N LEU A 88 2.488 13.436 45.762 1.00 16.34 N +ATOM 699 CA LEU A 88 3.924 13.402 45.984 1.00 15.22 C +ATOM 700 C LEU A 88 4.610 14.767 45.852 1.00 16.09 C +ATOM 701 O LEU A 88 5.828 14.903 46.053 1.00 18.41 O +ATOM 702 CB LEU A 88 4.602 12.324 45.120 1.00 13.11 C +ATOM 703 CG LEU A 88 4.211 10.908 45.558 1.00 11.85 C +ATOM 704 CD1 LEU A 88 4.876 9.933 44.594 1.00 11.97 C +ATOM 705 CD2 LEU A 88 4.594 10.573 46.980 1.00 14.12 C +ATOM 706 N LYS A 89 3.805 15.821 45.628 1.00 19.47 N +ATOM 707 CA LYS A 89 4.363 17.189 45.618 1.00 21.36 C +ATOM 708 C LYS A 89 4.674 17.561 47.054 1.00 21.75 C +ATOM 709 O LYS A 89 4.063 17.102 48.024 1.00 23.03 O +ATOM 710 CB LYS A 89 3.334 18.123 44.980 1.00 23.67 C +ATOM 711 CG LYS A 89 3.085 17.860 43.507 1.00 26.66 C +ATOM 712 CD LYS A 89 4.332 18.038 42.658 1.00 29.13 C +ATOM 713 CE LYS A 89 4.019 18.180 41.186 1.00 31.65 C +ATOM 714 NZ LYS A 89 3.571 16.910 40.556 1.00 33.11 N +ATOM 715 N GLY A 90 5.748 18.309 47.284 1.00 22.07 N +ATOM 716 CA GLY A 90 6.179 18.724 48.606 1.00 22.22 C +ATOM 717 C GLY A 90 6.943 17.676 49.395 1.00 22.04 C +ATOM 718 O GLY A 90 7.364 17.953 50.544 1.00 24.65 O +ATOM 719 OXT GLY A 90 7.236 16.581 48.868 1.00 20.54 O Added: SwiftApps/modFTdock/input/1mfg-1.pdb =================================================================== --- SwiftApps/modFTdock/input/1mfg-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/1mfg-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,824 @@ +ATOM 1 N GLY A1277 22.555 0.906 38.283 1.00 27.48 N +ATOM 2 CA GLY A1277 21.337 0.415 38.914 1.00 27.43 C +ATOM 3 C GLY A1277 20.118 0.922 38.193 1.00 20.45 C +ATOM 4 O GLY A1277 20.234 1.631 37.187 1.00 30.48 O +ATOM 5 N SER A1278 18.899 0.570 38.576 1.00 24.21 N +ATOM 6 CA SER A1278 17.740 1.103 37.895 1.00 19.98 C +ATOM 7 C SER A1278 16.881 1.857 38.876 1.00 16.10 C +ATOM 8 O SER A1278 16.879 1.568 40.068 1.00 21.27 O +ATOM 9 CB ASER A1278 16.880 -0.001 37.287 0.65 23.68 C +ATOM 10 CB BSER A1278 16.856 -0.009 37.332 0.35 23.64 C +ATOM 11 OG ASER A1278 16.761 -0.973 38.299 0.65 30.25 O +ATOM 12 OG BSER A1278 17.476 -0.914 36.448 0.35 22.48 O +ATOM 13 N MET A1279 16.072 2.779 38.365 1.00 15.45 N +ATOM 14 CA MET A1279 15.146 3.546 39.174 1.00 14.66 C +ATOM 15 C MET A1279 13.804 3.667 38.444 1.00 9.98 C +ATOM 16 O MET A1279 13.804 3.924 37.245 1.00 10.33 O +ATOM 17 CB AMET A1279 15.725 4.934 39.397 0.48 19.05 C +ATOM 18 CB BMET A1279 15.639 4.940 39.552 0.52 20.28 C +ATOM 19 CG AMET A1279 14.810 5.775 40.272 0.48 25.06 C +ATOM 20 CG BMET A1279 16.246 5.868 38.540 0.52 29.80 C +ATOM 21 SD AMET A1279 15.584 7.370 40.608 0.48 34.08 S +ATOM 22 SD BMET A1279 16.844 7.460 39.179 0.52 32.99 S +ATOM 23 CE AMET A1279 17.051 6.847 41.473 0.48 68.69 C +ATOM 24 CE BMET A1279 15.574 7.809 40.386 0.52 48.00 C +ATOM 25 N GLU A1280 12.726 3.433 39.146 1.00 10.11 N +ATOM 26 CA GLU A1280 11.409 3.565 38.585 1.00 9.52 C +ATOM 27 C GLU A1280 10.863 4.928 38.953 1.00 10.00 C +ATOM 28 O GLU A1280 10.960 5.306 40.122 1.00 12.18 O +ATOM 29 CB AGLU A1280 10.644 2.432 39.275 0.64 13.66 C +ATOM 30 CB BGLU A1280 10.407 2.524 39.052 0.36 9.89 C +ATOM 31 CG AGLU A1280 9.335 2.213 38.565 0.64 10.62 C +ATOM 32 CG BGLU A1280 10.378 1.153 38.474 0.36 13.22 C +ATOM 33 CD AGLU A1280 8.545 1.095 39.192 0.64 9.00 C +ATOM 34 CD BGLU A1280 9.427 0.171 39.108 0.36 13.74 C +ATOM 35 OE1AGLU A1280 8.949 0.481 40.215 0.64 10.59 O +ATOM 36 OE1BGLU A1280 8.769 0.484 40.120 0.36 19.88 O +ATOM 37 OE2AGLU A1280 7.451 0.843 38.658 0.64 11.61 O +ATOM 38 OE2BGLU A1280 9.347 -0.971 38.599 0.36 20.92 O +ATOM 39 N ILE A1281 10.365 5.660 37.971 1.00 9.75 N +ATOM 40 CA ILE A1281 10.022 7.058 38.107 1.00 10.03 C +ATOM 41 C ILE A1281 8.676 7.349 37.484 1.00 9.85 C +ATOM 42 O ILE A1281 8.425 6.882 36.352 1.00 8.82 O +ATOM 43 CB ILE A1281 11.080 7.985 37.455 1.00 11.18 C +ATOM 44 CG1 ILE A1281 12.508 7.592 37.888 1.00 12.21 C +ATOM 45 CG2 ILE A1281 10.804 9.429 37.722 1.00 12.24 C +ATOM 46 CD1 ILE A1281 13.585 8.347 37.161 1.00 13.28 C +ATOM 47 N ARG A1282 7.859 8.131 38.156 1.00 9.55 N +ATOM 48 CA ARG A1282 6.590 8.604 37.594 1.00 9.36 C +ATOM 49 C ARG A1282 6.800 9.969 36.965 1.00 9.75 C +ATOM 50 O ARG A1282 7.343 10.862 37.634 1.00 12.00 O +ATOM 51 CB ARG A1282 5.532 8.647 38.711 1.00 10.30 C +ATOM 52 CG ARG A1282 4.087 8.929 38.281 1.00 14.74 C +ATOM 53 CD ARG A1282 3.064 9.036 39.419 1.00 16.24 C +ATOM 54 NE ARG A1282 3.024 7.828 40.288 1.00 12.92 N +ATOM 55 CZ ARG A1282 3.690 7.672 41.406 1.00 12.04 C +ATOM 56 NH1 ARG A1282 4.480 8.622 41.928 1.00 14.76 N +ATOM 57 NH2 ARG A1282 3.569 6.513 42.061 1.00 12.94 N +ATOM 58 N VAL A1283 6.371 10.104 35.742 1.00 8.96 N +ATOM 59 CA VAL A1283 6.606 11.319 34.949 1.00 10.47 C +ATOM 60 C VAL A1283 5.301 11.792 34.331 1.00 9.40 C +ATOM 61 O VAL A1283 4.676 10.994 33.631 1.00 12.59 O +ATOM 62 CB VAL A1283 7.698 11.072 33.849 1.00 12.67 C +ATOM 63 CG1 VAL A1283 8.068 12.338 33.081 1.00 13.35 C +ATOM 64 CG2 VAL A1283 8.936 10.475 34.504 1.00 13.28 C +ATOM 65 N ARG A1284 4.922 13.041 34.504 1.00 9.87 N +ATOM 66 CA ARG A1284 3.763 13.647 33.838 1.00 10.72 C +ATOM 67 C ARG A1284 4.201 14.484 32.651 1.00 9.40 C +ATOM 68 O ARG A1284 5.048 15.357 32.844 1.00 12.89 O +ATOM 69 CB ARG A1284 3.000 14.543 34.817 1.00 13.15 C +ATOM 70 CG ARG A1284 1.707 15.127 34.315 1.00 25.62 C +ATOM 71 CD ARG A1284 0.950 15.971 35.303 1.00 39.34 C +ATOM 72 NE ARG A1284 0.622 15.304 36.557 1.00 57.68 N +ATOM 73 CZ ARG A1284 0.076 15.945 37.589 1.00 56.78 C +ATOM 74 NH1 ARG A1284 -0.197 17.242 37.497 1.00 89.96 N +ATOM 75 NH2 ARG A1284 -0.219 15.324 38.732 1.00 83.24 N +ATOM 76 N VAL A1285 3.617 14.160 31.506 1.00 9.66 N +ATOM 77 CA VAL A1285 3.969 14.874 30.282 1.00 10.60 C +ATOM 78 C VAL A1285 2.692 15.412 29.684 1.00 11.05 C +ATOM 79 O VAL A1285 1.794 14.642 29.401 1.00 13.44 O +ATOM 80 CB VAL A1285 4.735 14.007 29.254 1.00 11.08 C +ATOM 81 CG1 VAL A1285 5.106 14.851 28.038 1.00 13.97 C +ATOM 82 CG2 VAL A1285 5.951 13.366 29.882 1.00 11.31 C +ATOM 83 N GLU A1286 2.668 16.756 29.491 1.00 11.69 N +ATOM 84 CA GLU A1286 1.498 17.403 28.922 1.00 14.25 C +ATOM 85 C GLU A1286 1.564 17.574 27.423 1.00 14.48 C +ATOM 86 O GLU A1286 2.331 18.372 26.923 1.00 15.20 O +ATOM 87 CB GLU A1286 1.349 18.814 29.504 1.00 20.97 C +ATOM 88 CG GLU A1286 1.675 18.949 30.973 1.00 49.35 C +ATOM 89 CD GLU A1286 0.850 20.038 31.624 1.00 65.75 C +ATOM 90 OE1 GLU A1286 0.798 21.149 31.055 1.00 94.48 O +ATOM 91 OE2 GLU A1286 0.269 19.763 32.702 1.00 86.03 O +ATOM 92 N LYS A1287 0.729 16.900 26.669 1.00 13.07 N +ATOM 93 CA LYS A1287 0.678 16.950 25.209 1.00 12.08 C +ATOM 94 C LYS A1287 0.388 18.336 24.661 1.00 14.21 C +ATOM 95 O LYS A1287 -0.435 19.060 25.176 1.00 20.00 O +ATOM 96 CB LYS A1287 -0.363 15.941 24.706 1.00 16.83 C +ATOM 97 CG LYS A1287 0.101 14.491 24.916 1.00 17.30 C +ATOM 98 CD LYS A1287 -0.841 13.467 24.268 1.00 24.61 C +ATOM 99 CE LYS A1287 -0.304 12.930 22.984 1.00 18.04 C +ATOM 100 NZ LYS A1287 -1.132 11.899 22.361 1.00 10.41 N +ATOM 101 N ASP A1288 1.141 18.740 23.626 1.00 15.11 N +ATOM 102 CA ASP A1288 0.941 20.112 23.161 1.00 20.93 C +ATOM 103 C ASP A1288 1.076 20.358 21.680 1.00 20.27 C +ATOM 104 O ASP A1288 1.643 21.386 21.244 1.00 29.05 O +ATOM 105 CB ASP A1288 1.938 21.021 23.911 1.00 31.62 C +ATOM 106 CG ASP A1288 3.346 20.824 23.387 1.00 42.72 C +ATOM 107 OD1 ASP A1288 3.579 19.702 22.876 1.00 63.12 O +ATOM 108 OD2 ASP A1288 4.164 21.776 23.492 1.00 81.84 O +ATOM 109 N PRO A1289 0.505 19.571 20.792 1.00 18.53 N +ATOM 110 CA PRO A1289 -0.316 18.399 21.028 1.00 15.09 C +ATOM 111 C PRO A1289 0.434 17.078 21.046 1.00 13.52 C +ATOM 112 O PRO A1289 -0.201 16.033 21.218 1.00 14.71 O +ATOM 113 CB PRO A1289 -1.226 18.448 19.789 1.00 20.33 C +ATOM 114 CG PRO A1289 -0.327 18.960 18.703 1.00 22.30 C +ATOM 115 CD PRO A1289 0.583 19.955 19.354 1.00 25.68 C +ATOM 116 N GLU A1290 1.741 17.085 20.884 1.00 13.98 N +ATOM 117 CA GLU A1290 2.561 15.875 20.989 1.00 12.05 C +ATOM 118 C GLU A1290 3.214 15.813 22.368 1.00 10.83 C +ATOM 119 O GLU A1290 3.237 16.789 23.146 1.00 12.33 O +ATOM 120 CB GLU A1290 3.638 15.826 19.899 1.00 16.90 C +ATOM 121 CG GLU A1290 3.015 15.767 18.492 1.00 30.56 C +ATOM 122 CD GLU A1290 3.979 15.842 17.344 1.00 49.27 C +ATOM 123 OE1 GLU A1290 5.055 16.470 17.501 1.00 70.14 O +ATOM 124 OE2 GLU A1290 3.700 15.291 16.257 1.00 85.76 O +ATOM 125 N LEU A1291 3.751 14.668 22.703 1.00 10.22 N +ATOM 126 CA LEU A1291 4.559 14.449 23.912 1.00 9.82 C +ATOM 127 C LEU A1291 5.955 15.003 23.795 1.00 9.28 C +ATOM 128 O LEU A1291 6.581 15.280 24.842 1.00 10.78 O +ATOM 129 CB LEU A1291 4.561 12.959 24.251 1.00 9.27 C +ATOM 130 CG LEU A1291 3.192 12.362 24.624 1.00 11.15 C +ATOM 131 CD1 LEU A1291 3.170 10.861 24.446 1.00 12.26 C +ATOM 132 CD2 LEU A1291 2.869 12.750 26.038 1.00 13.56 C +ATOM 133 N GLY A1292 6.494 15.127 22.606 1.00 9.66 N +ATOM 134 CA GLY A1292 7.832 15.645 22.420 1.00 9.39 C +ATOM 135 C GLY A1292 8.922 14.643 22.688 1.00 7.56 C +ATOM 136 O GLY A1292 10.047 15.031 23.090 1.00 8.70 O +ATOM 137 N PHE A1293 8.710 13.363 22.459 1.00 8.00 N +ATOM 138 CA PHE A1293 9.778 12.388 22.523 1.00 7.39 C +ATOM 139 C PHE A1293 9.487 11.315 21.497 1.00 6.77 C +ATOM 140 O PHE A1293 8.382 11.203 21.005 1.00 8.37 O +ATOM 141 CB PHE A1293 10.000 11.829 23.927 1.00 7.58 C +ATOM 142 CG PHE A1293 8.849 11.031 24.495 1.00 7.69 C +ATOM 143 CD1 PHE A1293 7.884 11.627 25.302 1.00 7.74 C +ATOM 144 CD2 PHE A1293 8.718 9.673 24.279 1.00 7.54 C +ATOM 145 CE1 PHE A1293 6.872 10.896 25.896 1.00 8.18 C +ATOM 146 CE2 PHE A1293 7.690 8.938 24.807 1.00 7.85 C +ATOM 147 CZ PHE A1293 6.761 9.542 25.618 1.00 7.85 C +ATOM 148 N SER A1294 10.524 10.521 21.182 1.00 7.33 N +ATOM 149 CA SER A1294 10.428 9.427 20.239 1.00 6.92 C +ATOM 150 C SER A1294 10.668 8.116 20.997 1.00 6.07 C +ATOM 151 O SER A1294 11.349 8.090 22.011 1.00 7.34 O +ATOM 152 CB ASER A1294 11.403 9.528 19.060 0.84 9.93 C +ATOM 153 CB BSER A1294 11.414 9.554 19.086 0.16 5.13 C +ATOM 154 OG ASER A1294 11.103 10.778 18.421 0.84 9.36 O +ATOM 155 OG BSER A1294 12.729 9.164 19.429 0.16 11.19 O +ATOM 156 N ILE A1295 10.111 7.037 20.455 1.00 7.12 N +ATOM 157 CA ILE A1295 10.249 5.710 20.998 1.00 7.05 C +ATOM 158 C ILE A1295 10.685 4.722 19.946 1.00 6.93 C +ATOM 159 O ILE A1295 10.494 4.903 18.750 1.00 8.20 O +ATOM 160 CB ILE A1295 8.942 5.217 21.653 1.00 7.13 C +ATOM 161 CG1 ILE A1295 7.762 5.092 20.690 1.00 8.63 C +ATOM 162 CG2 ILE A1295 8.597 6.066 22.859 1.00 8.94 C +ATOM 163 CD1 ILE A1295 6.586 4.308 21.217 1.00 10.21 C +ATOM 164 N SER A1296 11.212 3.592 20.434 1.00 6.94 N +ATOM 165 CA SER A1296 11.502 2.427 19.622 1.00 7.89 C +ATOM 166 C SER A1296 11.096 1.200 20.458 1.00 7.93 C +ATOM 167 O SER A1296 10.975 1.281 21.652 1.00 10.73 O +ATOM 168 CB SER A1296 12.967 2.289 19.178 1.00 13.09 C +ATOM 169 OG SER A1296 13.784 2.054 20.294 1.00 26.29 O +ATOM 170 N GLY A1297 10.956 0.080 19.790 1.00 7.29 N +ATOM 171 CA GLY A1297 10.808 -1.184 20.405 1.00 7.88 C +ATOM 172 C GLY A1297 9.472 -1.825 20.315 1.00 6.97 C +ATOM 173 O GLY A1297 8.706 -1.618 19.362 1.00 9.23 O +ATOM 174 N GLY A1298 9.113 -2.615 21.314 1.00 7.10 N +ATOM 175 CA GLY A1298 7.897 -3.346 21.356 1.00 7.79 C +ATOM 176 C GLY A1298 7.954 -4.751 20.799 1.00 8.35 C +ATOM 177 O GLY A1298 8.845 -5.077 20.007 1.00 9.37 O +ATOM 178 N VAL A1299 7.013 -5.571 21.257 1.00 8.73 N +ATOM 179 CA VAL A1299 6.865 -6.891 20.675 1.00 10.06 C +ATOM 180 C VAL A1299 6.555 -6.765 19.192 1.00 10.44 C +ATOM 181 O VAL A1299 5.710 -5.976 18.778 1.00 11.33 O +ATOM 182 CB VAL A1299 5.811 -7.720 21.402 1.00 11.21 C +ATOM 183 CG1 VAL A1299 5.545 -9.002 20.627 1.00 16.17 C +ATOM 184 CG2 VAL A1299 6.291 -8.002 22.825 1.00 13.39 C +ATOM 185 N GLY A1300 7.318 -7.530 18.360 1.00 13.03 N +ATOM 186 CA GLY A1300 7.067 -7.426 16.931 1.00 14.64 C +ATOM 187 C GLY A1300 7.858 -6.295 16.304 1.00 17.13 C +ATOM 188 O GLY A1300 7.831 -6.136 15.094 1.00 22.78 O +ATOM 189 N GLY A1301 8.518 -5.467 17.105 1.00 13.99 N +ATOM 190 CA GLY A1301 9.283 -4.316 16.698 1.00 13.85 C +ATOM 191 C GLY A1301 10.677 -4.676 16.220 1.00 12.91 C +ATOM 192 O GLY A1301 11.088 -5.823 16.135 1.00 15.82 O +ATOM 193 N ARG A1302 11.451 -3.671 15.925 1.00 12.05 N +ATOM 194 CA ARG A1302 12.807 -3.875 15.396 1.00 11.50 C +ATOM 195 C ARG A1302 13.852 -3.548 16.417 1.00 13.36 C +ATOM 196 O ARG A1302 14.987 -3.272 16.098 1.00 17.26 O +ATOM 197 CB ARG A1302 12.947 -3.042 14.108 1.00 17.25 C +ATOM 198 CG ARG A1302 12.005 -3.491 12.994 1.00 26.82 C +ATOM 199 CD ARG A1302 12.649 -4.691 12.290 1.00 37.88 C +ATOM 200 NE ARG A1302 14.070 -4.387 12.116 1.00 47.11 N +ATOM 201 CZ ARG A1302 14.476 -3.506 11.202 1.00 42.24 C +ATOM 202 NH1 ARG A1302 13.610 -2.883 10.418 1.00 59.84 N +ATOM 203 NH2 ARG A1302 15.767 -3.297 11.116 1.00 28.47 N +ATOM 204 N GLY A1303 13.486 -3.530 17.709 1.00 10.71 N +ATOM 205 CA GLY A1303 14.472 -3.337 18.749 1.00 10.41 C +ATOM 206 C GLY A1303 14.695 -1.925 19.178 1.00 8.56 C +ATOM 207 O GLY A1303 13.845 -1.036 18.987 1.00 10.02 O +ATOM 208 N ASN A1304 15.841 -1.695 19.795 1.00 8.58 N +ATOM 209 CA ASN A1304 16.181 -0.450 20.434 1.00 9.45 C +ATOM 210 C ASN A1304 17.682 -0.402 20.605 1.00 10.61 C +ATOM 211 O ASN A1304 18.377 -1.416 20.591 1.00 12.69 O +ATOM 212 CB ASN A1304 15.438 -0.317 21.793 1.00 8.91 C +ATOM 213 CG ASN A1304 16.057 -1.224 22.825 1.00 9.17 C +ATOM 214 OD1 ASN A1304 16.994 -0.837 23.501 1.00 10.82 O +ATOM 215 ND2 ASN A1304 15.535 -2.444 22.888 1.00 10.12 N +ATOM 216 N PRO A1305 18.264 0.781 20.814 1.00 12.70 N +ATOM 217 CA PRO A1305 19.743 0.853 20.977 1.00 14.11 C +ATOM 218 C PRO A1305 20.256 0.655 22.387 1.00 12.74 C +ATOM 219 O PRO A1305 21.501 0.649 22.570 1.00 15.64 O +ATOM 220 CB PRO A1305 19.994 2.269 20.470 1.00 15.18 C +ATOM 221 CG PRO A1305 18.821 3.041 20.961 1.00 14.70 C +ATOM 222 CD PRO A1305 17.647 2.086 20.807 1.00 11.97 C +ATOM 223 N PHE A1306 19.431 0.431 23.380 1.00 10.95 N +ATOM 224 CA PHE A1306 19.855 0.369 24.776 1.00 11.14 C +ATOM 225 C PHE A1306 20.037 -1.038 25.338 1.00 12.17 C +ATOM 226 O PHE A1306 21.078 -1.349 25.954 1.00 15.78 O +ATOM 227 CB PHE A1306 18.838 1.113 25.648 1.00 11.31 C +ATOM 228 CG PHE A1306 18.599 2.510 25.118 1.00 9.71 C +ATOM 229 CD1 PHE A1306 19.551 3.518 25.232 1.00 10.63 C +ATOM 230 CD2 PHE A1306 17.411 2.772 24.451 1.00 8.22 C +ATOM 231 CE1 PHE A1306 19.290 4.779 24.697 1.00 10.33 C +ATOM 232 CE2 PHE A1306 17.143 4.036 23.978 1.00 8.46 C +ATOM 233 CZ PHE A1306 18.088 5.036 24.070 1.00 9.23 C +ATOM 234 N ARG A1307 19.037 -1.886 25.156 1.00 13.20 N +ATOM 235 CA ARG A1307 18.972 -3.274 25.635 1.00 13.56 C +ATOM 236 C ARG A1307 18.507 -4.069 24.422 1.00 12.84 C +ATOM 237 O ARG A1307 17.317 -4.341 24.193 1.00 15.18 O +ATOM 238 CB ARG A1307 18.039 -3.447 26.803 1.00 16.41 C +ATOM 239 CG ARG A1307 18.423 -2.756 28.071 1.00 20.13 C +ATOM 240 CD ARG A1307 18.097 -3.237 29.449 1.00 48.00 C +ATOM 241 NE ARG A1307 18.727 -2.467 30.528 1.00 72.07 N +ATOM 242 CZ ARG A1307 20.005 -2.319 30.805 1.00 71.11 C +ATOM 243 NH1 ARG A1307 20.976 -2.886 30.103 1.00 41.17 N +ATOM 244 NH2 ARG A1307 20.415 -1.580 31.821 1.00 70.96 N +ATOM 245 N PRO A1308 19.447 -4.395 23.547 1.00 19.12 N +ATOM 246 CA PRO A1308 18.956 -4.875 22.247 1.00 20.50 C +ATOM 247 C PRO A1308 18.144 -6.156 22.238 1.00 23.77 C +ATOM 248 O PRO A1308 17.357 -6.271 21.272 1.00 21.59 O +ATOM 249 CB PRO A1308 20.246 -5.165 21.493 1.00 23.45 C +ATOM 250 CG PRO A1308 21.336 -5.190 22.504 1.00 29.70 C +ATOM 251 CD PRO A1308 20.915 -4.319 23.640 1.00 23.77 C +ATOM 252 N ASP A1309 18.367 -7.041 23.216 1.00 18.65 N +ATOM 253 CA ASP A1309 17.609 -8.302 23.241 1.00 28.97 C +ATOM 254 C ASP A1309 16.296 -8.207 24.021 1.00 27.45 C +ATOM 255 O ASP A1309 15.590 -9.190 24.268 1.00 33.73 O +ATOM 256 CB ASP A1309 18.439 -9.412 23.891 1.00 45.00 C +ATOM 257 CG ASP A1309 19.712 -9.765 23.152 1.00 58.98 C +ATOM 258 OD1 ASP A1309 19.801 -9.450 21.947 1.00 73.80 O +ATOM 259 OD2 ASP A1309 20.603 -10.362 23.804 1.00 72.75 O +ATOM 260 N ASP A1310 15.940 -7.008 24.449 1.00 21.69 N +ATOM 261 CA ASP A1310 14.714 -6.722 25.183 1.00 18.19 C +ATOM 262 C ASP A1310 13.624 -6.199 24.247 1.00 15.09 C +ATOM 263 O ASP A1310 13.889 -5.322 23.399 1.00 15.55 O +ATOM 264 CB ASP A1310 15.037 -5.724 26.286 1.00 17.91 C +ATOM 265 CG ASP A1310 14.073 -5.249 27.329 1.00 29.44 C +ATOM 266 OD1 ASP A1310 12.872 -5.115 27.049 1.00 16.52 O +ATOM 267 OD2 ASP A1310 14.487 -4.934 28.501 1.00 26.61 O +ATOM 268 N ASP A1311 12.412 -6.690 24.356 1.00 12.10 N +ATOM 269 CA ASP A1311 11.253 -6.296 23.557 1.00 10.60 C +ATOM 270 C ASP A1311 10.596 -5.013 24.034 1.00 8.99 C +ATOM 271 O ASP A1311 9.554 -4.658 23.491 1.00 9.91 O +ATOM 272 CB ASP A1311 10.223 -7.460 23.542 1.00 11.56 C +ATOM 273 CG ASP A1311 9.540 -7.790 24.823 1.00 13.49 C +ATOM 274 OD1 ASP A1311 9.547 -7.040 25.809 1.00 17.89 O +ATOM 275 OD2 ASP A1311 8.942 -8.893 24.904 1.00 20.20 O +ATOM 276 N GLY A1312 11.172 -4.331 25.006 1.00 10.41 N +ATOM 277 CA GLY A1312 10.465 -3.206 25.597 1.00 8.80 C +ATOM 278 C GLY A1312 10.410 -1.972 24.709 1.00 7.28 C +ATOM 279 O GLY A1312 10.982 -1.917 23.623 1.00 7.97 O +ATOM 280 N ILE A1313 9.642 -1.014 25.166 1.00 7.59 N +ATOM 281 CA ILE A1313 9.463 0.312 24.594 1.00 7.11 C +ATOM 282 C ILE A1313 10.413 1.273 25.271 1.00 7.28 C +ATOM 283 O ILE A1313 10.328 1.423 26.504 1.00 7.40 O +ATOM 284 CB ILE A1313 8.007 0.774 24.733 1.00 7.97 C +ATOM 285 CG1 ILE A1313 7.027 -0.106 23.960 1.00 8.61 C +ATOM 286 CG2 ILE A1313 7.848 2.232 24.347 1.00 7.71 C +ATOM 287 CD1 ILE A1313 7.156 -0.009 22.476 1.00 10.32 C +ATOM 288 N PHE A1314 11.280 1.900 24.516 1.00 6.65 N +ATOM 289 CA PHE A1314 12.299 2.795 25.025 1.00 6.94 C +ATOM 290 C PHE A1314 12.221 4.187 24.395 1.00 7.50 C +ATOM 291 O PHE A1314 12.006 4.319 23.202 1.00 7.90 O +ATOM 292 CB PHE A1314 13.716 2.234 24.731 1.00 7.61 C +ATOM 293 CG PHE A1314 13.994 0.932 25.437 1.00 7.67 C +ATOM 294 CD1 PHE A1314 13.549 -0.271 24.928 1.00 7.16 C +ATOM 295 CD2 PHE A1314 14.691 0.925 26.616 1.00 9.41 C +ATOM 296 CE1 PHE A1314 13.777 -1.468 25.563 1.00 8.29 C +ATOM 297 CE2 PHE A1314 14.936 -0.256 27.268 1.00 10.07 C +ATOM 298 CZ PHE A1314 14.466 -1.430 26.741 1.00 9.76 C +ATOM 299 N VAL A1315 12.392 5.186 25.230 1.00 7.91 N +ATOM 300 CA VAL A1315 12.584 6.549 24.760 1.00 7.86 C +ATOM 301 C VAL A1315 13.926 6.672 24.066 1.00 7.28 C +ATOM 302 O VAL A1315 14.928 6.324 24.665 1.00 8.10 O +ATOM 303 CB VAL A1315 12.507 7.518 25.931 1.00 8.46 C +ATOM 304 CG1 VAL A1315 12.722 8.959 25.489 1.00 9.09 C +ATOM 305 CG2 VAL A1315 11.156 7.447 26.659 1.00 8.83 C +ATOM 306 N THR A1316 13.912 7.166 22.820 1.00 7.71 N +ATOM 307 CA THR A1316 15.149 7.233 22.048 1.00 7.34 C +ATOM 308 C THR A1316 15.620 8.653 21.912 1.00 7.63 C +ATOM 309 O THR A1316 16.821 8.833 21.746 1.00 10.77 O +ATOM 310 CB THR A1316 14.971 6.621 20.642 1.00 9.51 C +ATOM 311 OG1 THR A1316 13.836 7.250 20.064 1.00 10.08 O +ATOM 312 CG2 THR A1316 14.787 5.129 20.740 1.00 10.89 C +ATOM 313 N ARG A1317 14.780 9.650 22.000 1.00 6.73 N +ATOM 314 CA ARG A1317 15.117 11.038 21.802 1.00 7.72 C +ATOM 315 C ARG A1317 14.090 11.908 22.499 1.00 7.48 C +ATOM 316 O ARG A1317 12.896 11.550 22.513 1.00 8.46 O +ATOM 317 CB ARG A1317 15.199 11.386 20.319 1.00 13.55 C +ATOM 318 CG ARG A1317 15.711 12.785 20.091 1.00 16.94 C +ATOM 319 CD ARG A1317 16.757 12.896 19.039 1.00 19.39 C +ATOM 320 NE ARG A1317 17.529 14.147 19.106 1.00 16.81 N +ATOM 321 CZ ARG A1317 18.766 14.270 19.510 1.00 15.87 C +ATOM 322 NH1 ARG A1317 19.535 13.279 19.939 1.00 15.23 N +ATOM 323 NH2 ARG A1317 19.278 15.510 19.476 1.00 26.52 N +ATOM 324 N VAL A1318 14.506 12.981 23.115 1.00 7.68 N +ATOM 325 CA VAL A1318 13.648 13.904 23.812 1.00 7.67 C +ATOM 326 C VAL A1318 13.883 15.278 23.216 1.00 8.83 C +ATOM 327 O VAL A1318 14.993 15.818 23.211 1.00 11.07 O +ATOM 328 CB VAL A1318 13.912 13.899 25.329 1.00 7.83 C +ATOM 329 CG1 VAL A1318 13.017 14.887 26.074 1.00 9.96 C +ATOM 330 CG2 VAL A1318 13.708 12.512 25.904 1.00 8.82 C +ATOM 331 N GLN A1319 12.843 15.922 22.722 1.00 8.55 N +ATOM 332 CA GLN A1319 12.925 17.277 22.150 1.00 10.46 C +ATOM 333 C GLN A1319 13.356 18.277 23.238 1.00 10.54 C +ATOM 334 O GLN A1319 12.669 18.318 24.258 1.00 11.72 O +ATOM 335 CB GLN A1319 11.621 17.716 21.535 1.00 13.51 C +ATOM 336 CG GLN A1319 11.077 17.008 20.334 1.00 27.76 C +ATOM 337 CD GLN A1319 9.676 17.468 19.952 1.00 39.94 C +ATOM 338 OE1 GLN A1319 9.003 18.277 20.604 1.00 36.77 O +ATOM 339 NE2 GLN A1319 9.168 16.976 18.825 1.00 52.32 N +ATOM 340 N PRO A1320 14.477 18.987 23.065 1.00 13.00 N +ATOM 341 CA PRO A1320 15.019 19.841 24.118 1.00 16.15 C +ATOM 342 C PRO A1320 14.118 20.926 24.639 1.00 19.33 C +ATOM 343 O PRO A1320 14.259 21.335 25.803 1.00 27.24 O +ATOM 344 CB PRO A1320 16.209 20.542 23.434 1.00 21.37 C +ATOM 345 CG PRO A1320 16.534 19.811 22.205 1.00 20.19 C +ATOM 346 CD PRO A1320 15.341 18.962 21.884 1.00 15.87 C +ATOM 347 N GLU A1321 13.189 21.392 23.827 1.00 23.13 N +ATOM 348 CA GLU A1321 12.279 22.404 24.413 1.00 26.68 C +ATOM 349 C GLU A1321 10.858 21.905 24.444 1.00 17.85 C +ATOM 350 O GLU A1321 9.926 22.673 24.603 1.00 27.62 O +ATOM 351 CB GLU A1321 12.418 23.714 23.630 1.00 31.15 C +ATOM 352 CG GLU A1321 13.861 24.261 23.695 1.00 43.20 C +ATOM 353 CD GLU A1321 14.351 24.176 25.139 1.00 55.90 C +ATOM 354 OE1 GLU A1321 13.509 24.614 25.967 1.00 43.97 O +ATOM 355 OE2 GLU A1321 15.483 23.744 25.410 1.00 91.32 O +ATOM 356 N GLY A1322 10.696 20.604 24.282 1.00 15.83 N +ATOM 357 CA GLY A1322 9.349 20.050 24.239 1.00 12.34 C +ATOM 358 C GLY A1322 8.831 19.674 25.610 1.00 10.51 C +ATOM 359 O GLY A1322 9.519 19.805 26.619 1.00 11.28 O +ATOM 360 N PRO A1323 7.622 19.125 25.649 1.00 10.45 N +ATOM 361 CA PRO A1323 6.976 18.846 26.945 1.00 11.55 C +ATOM 362 C PRO A1323 7.699 17.860 27.823 1.00 9.87 C +ATOM 363 O PRO A1323 7.386 17.838 29.018 1.00 10.82 O +ATOM 364 CB PRO A1323 5.607 18.315 26.502 1.00 13.10 C +ATOM 365 CG PRO A1323 5.357 18.889 25.148 1.00 13.32 C +ATOM 366 CD PRO A1323 6.710 18.896 24.513 1.00 11.35 C +ATOM 367 N ALA A1324 8.565 17.006 27.268 1.00 9.46 N +ATOM 368 CA ALA A1324 9.250 16.023 28.093 1.00 9.50 C +ATOM 369 C ALA A1324 10.639 16.469 28.488 1.00 9.86 C +ATOM 370 O ALA A1324 11.364 15.752 29.182 1.00 10.12 O +ATOM 371 CB ALA A1324 9.291 14.666 27.378 1.00 10.05 C +ATOM 372 N SER A1325 11.015 17.708 28.085 1.00 10.81 N +ATOM 373 CA SER A1325 12.396 18.100 28.416 1.00 10.42 C +ATOM 374 C SER A1325 12.574 18.250 29.937 1.00 10.90 C +ATOM 375 O SER A1325 11.659 18.656 30.681 1.00 10.10 O +ATOM 376 CB ASER A1325 12.890 19.328 27.689 0.64 13.13 C +ATOM 377 CB BSER A1325 12.670 19.397 27.671 0.36 20.01 C +ATOM 378 OG ASER A1325 11.991 20.354 27.975 0.64 10.27 O +ATOM 379 OG BSER A1325 13.579 20.328 28.205 0.36 13.17 O +ATOM 380 N LYS A1326 13.763 17.851 30.381 1.00 11.73 N +ATOM 381 CA LYS A1326 14.174 17.759 31.763 1.00 12.29 C +ATOM 382 C LYS A1326 13.443 16.649 32.500 1.00 11.34 C +ATOM 383 O LYS A1326 13.751 16.465 33.699 1.00 16.58 O +ATOM 384 CB LYS A1326 14.003 19.085 32.521 1.00 14.09 C +ATOM 385 CG LYS A1326 14.586 20.323 31.844 1.00 19.90 C +ATOM 386 CD LYS A1326 15.096 21.365 32.799 1.00 42.36 C +ATOM 387 CE LYS A1326 16.102 22.358 32.213 1.00 53.65 C +ATOM 388 NZ LYS A1326 16.624 23.260 33.259 1.00 51.19 N +ATOM 389 N LEU A1327 12.481 15.935 31.925 1.00 9.50 N +ATOM 390 CA LEU A1327 11.719 14.884 32.579 1.00 10.01 C +ATOM 391 C LEU A1327 12.058 13.493 32.094 1.00 8.66 C +ATOM 392 O LEU A1327 12.056 12.557 32.875 1.00 10.33 O +ATOM 393 CB LEU A1327 10.216 15.124 32.406 1.00 11.30 C +ATOM 394 CG LEU A1327 9.675 16.423 32.991 1.00 11.49 C +ATOM 395 CD1 LEU A1327 8.174 16.513 32.736 1.00 14.07 C +ATOM 396 CD2 LEU A1327 10.003 16.551 34.461 1.00 14.31 C +ATOM 397 N LEU A1328 12.255 13.325 30.810 1.00 8.91 N +ATOM 398 CA LEU A1328 12.631 12.053 30.202 1.00 8.46 C +ATOM 399 C LEU A1328 14.010 12.195 29.572 1.00 8.23 C +ATOM 400 O LEU A1328 14.490 13.275 29.248 1.00 10.59 O +ATOM 401 CB LEU A1328 11.633 11.599 29.159 1.00 9.15 C +ATOM 402 CG LEU A1328 10.205 11.307 29.615 1.00 8.86 C +ATOM 403 CD1 LEU A1328 9.330 10.986 28.413 1.00 10.03 C +ATOM 404 CD2 LEU A1328 10.226 10.198 30.640 1.00 10.64 C +ATOM 405 N GLN A1329 14.651 11.048 29.358 1.00 9.17 N +ATOM 406 CA GLN A1329 15.966 10.977 28.738 1.00 10.94 C +ATOM 407 C GLN A1329 16.033 9.742 27.866 1.00 8.13 C +ATOM 408 O GLN A1329 15.408 8.703 28.167 1.00 8.33 O +ATOM 409 CB GLN A1329 17.077 10.944 29.751 1.00 19.66 C +ATOM 410 CG GLN A1329 17.052 9.899 30.815 1.00 37.72 C +ATOM 411 CD GLN A1329 18.250 10.181 31.729 1.00 44.67 C +ATOM 412 OE1 GLN A1329 19.188 9.376 31.817 1.00 26.87 O +ATOM 413 NE2 GLN A1329 18.183 11.356 32.350 1.00 30.09 N +ATOM 414 N PRO A1330 16.821 9.783 26.806 1.00 7.72 N +ATOM 415 CA PRO A1330 17.070 8.564 26.033 1.00 7.97 C +ATOM 416 C PRO A1330 17.474 7.410 26.927 1.00 8.27 C +ATOM 417 O PRO A1330 18.301 7.556 27.826 1.00 12.31 O +ATOM 418 CB PRO A1330 18.236 8.980 25.127 1.00 10.14 C +ATOM 419 CG PRO A1330 18.010 10.452 24.957 1.00 12.64 C +ATOM 420 CD PRO A1330 17.539 10.963 26.292 1.00 9.20 C +ATOM 421 N GLY A1331 16.843 6.277 26.698 1.00 7.89 N +ATOM 422 CA GLY A1331 17.105 5.062 27.451 1.00 10.20 C +ATOM 423 C GLY A1331 15.972 4.713 28.399 1.00 10.49 C +ATOM 424 O GLY A1331 15.795 3.582 28.831 1.00 11.26 O +ATOM 425 N ASP A1332 15.181 5.692 28.784 1.00 9.19 N +ATOM 426 CA ASP A1332 14.087 5.435 29.676 1.00 8.56 C +ATOM 427 C ASP A1332 13.154 4.353 29.081 1.00 9.35 C +ATOM 428 O ASP A1332 12.664 4.488 27.950 1.00 11.23 O +ATOM 429 CB ASP A1332 13.240 6.699 29.943 1.00 8.37 C +ATOM 430 CG ASP A1332 13.951 7.740 30.795 1.00 8.37 C +ATOM 431 OD1 ASP A1332 14.971 7.418 31.413 1.00 8.32 O +ATOM 432 OD2 ASP A1332 13.428 8.871 30.859 1.00 9.36 O +ATOM 433 N LYS A1333 12.861 3.321 29.838 1.00 7.35 N +ATOM 434 CA LYS A1333 11.964 2.264 29.392 1.00 6.98 C +ATOM 435 C LYS A1333 10.568 2.541 29.907 1.00 7.94 C +ATOM 436 O LYS A1333 10.366 2.672 31.098 1.00 8.37 O +ATOM 437 CB LYS A1333 12.511 0.926 29.961 1.00 9.08 C +ATOM 438 CG LYS A1333 11.651 -0.253 29.437 1.00 12.19 C +ATOM 439 CD LYS A1333 12.235 -1.547 30.051 1.00 16.13 C +ATOM 440 CE LYS A1333 11.483 -2.786 29.664 1.00 22.96 C +ATOM 441 NZ LYS A1333 12.330 -3.924 30.221 1.00 31.78 N +ATOM 442 N ILE A1334 9.624 2.690 28.977 1.00 7.62 N +ATOM 443 CA ILE A1334 8.276 2.938 29.375 1.00 7.35 C +ATOM 444 C ILE A1334 7.610 1.654 29.825 1.00 7.39 C +ATOM 445 O ILE A1334 7.535 0.738 29.002 1.00 9.38 O +ATOM 446 CB ILE A1334 7.414 3.612 28.283 1.00 8.04 C +ATOM 447 CG1 ILE A1334 8.052 4.937 27.890 1.00 9.47 C +ATOM 448 CG2 ILE A1334 5.997 3.763 28.777 1.00 9.28 C +ATOM 449 CD1 ILE A1334 7.424 5.635 26.705 1.00 10.15 C +ATOM 450 N ILE A1335 7.153 1.573 31.075 1.00 7.53 N +ATOM 451 CA ILE A1335 6.500 0.328 31.526 1.00 8.57 C +ATOM 452 C ILE A1335 5.030 0.546 31.800 1.00 8.29 C +ATOM 453 O ILE A1335 4.328 -0.435 31.927 1.00 8.51 O +ATOM 454 CB ILE A1335 7.225 -0.283 32.731 1.00 9.18 C +ATOM 455 CG1 ILE A1335 7.209 0.570 34.009 1.00 9.14 C +ATOM 456 CG2 ILE A1335 8.654 -0.615 32.347 1.00 11.77 C +ATOM 457 CD1 ILE A1335 7.640 -0.119 35.292 1.00 10.78 C +ATOM 458 N GLN A1336 4.547 1.777 31.811 1.00 7.86 N +ATOM 459 CA GLN A1336 3.114 2.057 31.973 1.00 8.36 C +ATOM 460 C GLN A1336 2.823 3.469 31.483 1.00 7.68 C +ATOM 461 O GLN A1336 3.683 4.343 31.632 1.00 7.96 O +ATOM 462 CB GLN A1336 2.726 1.946 33.452 1.00 9.11 C +ATOM 463 CG GLN A1336 1.295 1.611 33.767 1.00 10.35 C +ATOM 464 CD GLN A1336 1.084 1.683 35.265 1.00 10.96 C +ATOM 465 OE1 GLN A1336 0.917 2.768 35.790 1.00 12.59 O +ATOM 466 NE2 GLN A1336 1.154 0.573 35.957 1.00 19.70 N +ATOM 467 N ALA A1337 1.630 3.653 30.939 1.00 7.02 N +ATOM 468 CA ALA A1337 1.203 4.996 30.516 1.00 7.34 C +ATOM 469 C ALA A1337 -0.280 5.121 30.792 1.00 7.33 C +ATOM 470 O ALA A1337 -1.071 4.296 30.293 1.00 7.94 O +ATOM 471 CB ALA A1337 1.515 5.239 29.048 1.00 8.61 C +ATOM 472 N ASN A1338 -0.666 6.109 31.566 1.00 8.12 N +ATOM 473 CA ASN A1338 -2.054 6.342 31.963 1.00 8.58 C +ATOM 474 C ASN A1338 -2.691 5.074 32.502 1.00 8.20 C +ATOM 475 O ASN A1338 -3.880 4.808 32.347 1.00 9.30 O +ATOM 476 CB ASN A1338 -2.875 6.961 30.832 1.00 10.16 C +ATOM 477 CG ASN A1338 -2.678 8.446 30.751 1.00 9.65 C +ATOM 478 OD1 ASN A1338 -1.926 9.048 31.511 1.00 12.06 O +ATOM 479 ND2 ASN A1338 -3.315 9.097 29.819 1.00 13.07 N +ATOM 480 N GLY A1339 -1.890 4.277 33.224 1.00 8.72 N +ATOM 481 CA GLY A1339 -2.390 3.070 33.823 1.00 9.41 C +ATOM 482 C GLY A1339 -2.439 1.839 32.953 1.00 9.24 C +ATOM 483 O GLY A1339 -2.781 0.769 33.431 1.00 10.77 O +ATOM 484 N TYR A1340 -2.055 1.989 31.689 1.00 8.33 N +ATOM 485 CA TYR A1340 -1.984 0.843 30.781 1.00 8.36 C +ATOM 486 C TYR A1340 -0.563 0.303 30.777 1.00 8.12 C +ATOM 487 O TYR A1340 0.419 1.024 30.647 1.00 9.14 O +ATOM 488 CB TYR A1340 -2.288 1.273 29.327 1.00 9.09 C +ATOM 489 CG TYR A1340 -3.763 1.622 29.237 1.00 8.42 C +ATOM 490 CD1 TYR A1340 -4.741 0.656 29.038 1.00 9.90 C +ATOM 491 CD2 TYR A1340 -4.089 2.964 29.399 1.00 11.69 C +ATOM 492 CE1 TYR A1340 -6.085 1.083 28.977 1.00 11.69 C +ATOM 493 CE2 TYR A1340 -5.374 3.341 29.349 1.00 11.69 C +ATOM 494 CZ TYR A1340 -6.388 2.441 29.137 1.00 12.02 C +ATOM 495 OH TYR A1340 -7.677 2.926 29.127 1.00 13.31 O +ATOM 496 N SER A1341 -0.418 -1.017 30.935 1.00 9.37 N +ATOM 497 CA SER A1341 0.878 -1.619 30.924 1.00 9.49 C +ATOM 498 C SER A1341 1.544 -1.577 29.569 1.00 8.90 C +ATOM 499 O SER A1341 0.920 -1.882 28.556 1.00 10.48 O +ATOM 500 CB SER A1341 0.715 -3.111 31.337 1.00 11.44 C +ATOM 501 OG SER A1341 2.009 -3.698 31.344 1.00 11.33 O +ATOM 502 N PHE A1342 2.802 -1.184 29.565 1.00 8.07 N +ATOM 503 CA PHE A1342 3.647 -1.227 28.376 1.00 8.28 C +ATOM 504 C PHE A1342 4.625 -2.374 28.460 1.00 8.98 C +ATOM 505 O PHE A1342 5.557 -2.487 27.657 1.00 9.80 O +ATOM 506 CB PHE A1342 4.375 0.112 28.129 1.00 8.78 C +ATOM 507 CG PHE A1342 3.518 1.123 27.381 1.00 7.66 C +ATOM 508 CD1 PHE A1342 2.235 1.410 27.779 1.00 9.47 C +ATOM 509 CD2 PHE A1342 4.023 1.738 26.231 1.00 8.99 C +ATOM 510 CE1 PHE A1342 1.470 2.282 27.043 1.00 10.35 C +ATOM 511 CE2 PHE A1342 3.289 2.634 25.509 1.00 10.81 C +ATOM 512 CZ PHE A1342 1.997 2.911 25.921 1.00 10.06 C +ATOM 513 N ILE A1343 4.451 -3.283 29.427 1.00 8.84 N +ATOM 514 CA ILE A1343 5.337 -4.443 29.510 1.00 9.54 C +ATOM 515 C ILE A1343 4.908 -5.508 28.475 1.00 7.87 C +ATOM 516 O ILE A1343 3.791 -5.958 28.444 1.00 9.52 O +ATOM 517 CB ILE A1343 5.373 -5.051 30.927 1.00 10.11 C +ATOM 518 CG1 ILE A1343 5.861 -4.025 31.960 1.00 12.60 C +ATOM 519 CG2 ILE A1343 6.221 -6.302 30.921 1.00 12.58 C +ATOM 520 CD1 ILE A1343 7.354 -3.694 31.826 1.00 20.74 C +ATOM 521 N ASN A1344 5.896 -5.794 27.598 1.00 8.51 N +ATOM 522 CA ASN A1344 5.676 -6.708 26.493 1.00 9.76 C +ATOM 523 C ASN A1344 4.522 -6.291 25.618 1.00 9.14 C +ATOM 524 O ASN A1344 3.861 -7.158 25.113 1.00 13.79 O +ATOM 525 CB ASN A1344 5.505 -8.152 26.992 1.00 9.95 C +ATOM 526 CG ASN A1344 6.667 -8.614 27.843 1.00 11.38 C +ATOM 527 OD1 ASN A1344 7.818 -8.358 27.487 1.00 16.84 O +ATOM 528 ND2 ASN A1344 6.377 -9.312 28.943 1.00 10.93 N +ATOM 529 N ILE A1345 4.339 -4.995 25.407 1.00 9.71 N +ATOM 530 CA ILE A1345 3.300 -4.493 24.526 1.00 9.15 C +ATOM 531 C ILE A1345 3.782 -4.608 23.083 1.00 8.83 C +ATOM 532 O ILE A1345 4.958 -4.419 22.805 1.00 9.63 O +ATOM 533 CB ILE A1345 2.998 -3.018 24.902 1.00 8.62 C +ATOM 534 CG1 ILE A1345 1.748 -2.492 24.203 1.00 10.34 C +ATOM 535 CG2 ILE A1345 4.200 -2.100 24.667 1.00 9.37 C +ATOM 536 CD1 ILE A1345 1.232 -1.209 24.842 1.00 12.76 C +ATOM 537 N GLU A1346 2.845 -4.846 22.167 1.00 9.71 N +ATOM 538 CA GLU A1346 3.144 -4.833 20.732 1.00 10.84 C +ATOM 539 C GLU A1346 3.519 -3.433 20.264 1.00 9.03 C +ATOM 540 O GLU A1346 2.938 -2.435 20.749 1.00 9.91 O +ATOM 541 CB GLU A1346 1.949 -5.353 19.950 1.00 14.25 C +ATOM 542 CG GLU A1346 2.205 -5.718 18.496 1.00 19.19 C +ATOM 543 CD GLU A1346 1.802 -4.572 17.569 1.00 19.58 C +ATOM 544 OE1 GLU A1346 0.872 -3.787 17.881 1.00 23.71 O +ATOM 545 OE2 GLU A1346 2.461 -4.438 16.509 1.00 23.39 O +ATOM 546 N HIS A1347 4.429 -3.356 19.280 1.00 10.32 N +ATOM 547 CA HIS A1347 4.916 -2.034 18.867 1.00 9.61 C +ATOM 548 C HIS A1347 3.824 -1.104 18.366 1.00 9.77 C +ATOM 549 O HIS A1347 3.812 0.079 18.769 1.00 9.65 O +ATOM 550 CB AHIS A1347 6.016 -2.214 17.831 0.69 10.53 C +ATOM 551 CB BHIS A1347 5.951 -2.206 17.735 0.31 11.20 C +ATOM 552 CG AHIS A1347 5.608 -2.847 16.536 0.69 13.44 C +ATOM 553 CG BHIS A1347 6.305 -0.949 17.003 0.31 12.01 C +ATOM 554 ND1AHIS A1347 5.419 -2.027 15.447 0.69 14.87 N +ATOM 555 ND1BHIS A1347 7.283 -0.084 17.436 0.31 15.21 N +ATOM 556 CD2AHIS A1347 5.379 -4.121 16.140 0.69 13.40 C +ATOM 557 CD2BHIS A1347 5.811 -0.373 15.872 0.31 12.04 C +ATOM 558 CE1AHIS A1347 5.074 -2.795 14.441 0.69 21.37 C +ATOM 559 CE1BHIS A1347 7.382 0.960 16.618 0.31 16.13 C +ATOM 560 NE2AHIS A1347 5.038 -4.053 14.804 0.69 18.95 N +ATOM 561 NE2BHIS A1347 6.487 0.796 15.656 0.31 17.25 N +ATOM 562 N GLY A1348 2.943 -1.594 17.461 1.00 10.99 N +ATOM 563 CA GLY A1348 1.948 -0.669 16.911 1.00 13.79 C +ATOM 564 C GLY A1348 0.968 -0.246 17.981 1.00 12.32 C +ATOM 565 O GLY A1348 0.436 0.868 18.034 1.00 12.55 O +ATOM 566 N GLN A1349 0.636 -1.149 18.894 1.00 12.10 N +ATOM 567 CA GLN A1349 -0.297 -0.814 19.965 1.00 12.11 C +ATOM 568 C GLN A1349 0.272 0.281 20.852 1.00 9.57 C +ATOM 569 O GLN A1349 -0.441 1.180 21.278 1.00 12.78 O +ATOM 570 CB AGLN A1349 -0.658 -2.043 20.791 0.53 13.64 C +ATOM 571 CB BGLN A1349 -0.594 -2.103 20.732 0.47 16.41 C +ATOM 572 CG AGLN A1349 -1.575 -2.968 19.991 0.53 17.23 C +ATOM 573 CG BGLN A1349 -1.221 -1.912 22.085 0.47 17.27 C +ATOM 574 CD AGLN A1349 -1.662 -4.335 20.643 0.53 31.68 C +ATOM 575 CD BGLN A1349 -1.627 -3.171 22.804 0.47 21.22 C +ATOM 576 OE1AGLN A1349 -1.448 -4.453 21.850 0.53 48.57 O +ATOM 577 OE1BGLN A1349 -1.642 -4.228 22.176 0.47 29.71 O +ATOM 578 NE2AGLN A1349 -1.969 -5.366 19.863 0.53 44.36 N +ATOM 579 NE2BGLN A1349 -1.970 -3.081 24.084 0.47 32.17 N +ATOM 580 N ALA A1350 1.573 0.226 21.145 1.00 9.95 N +ATOM 581 CA ALA A1350 2.216 1.221 21.973 1.00 8.78 C +ATOM 582 C ALA A1350 2.158 2.596 21.336 1.00 8.17 C +ATOM 583 O ALA A1350 1.836 3.597 22.000 1.00 8.71 O +ATOM 584 CB ALA A1350 3.677 0.853 22.245 1.00 9.21 C +ATOM 585 N VAL A1351 2.489 2.649 20.063 1.00 8.94 N +ATOM 586 CA VAL A1351 2.457 3.903 19.311 1.00 9.25 C +ATOM 587 C VAL A1351 1.051 4.460 19.297 1.00 10.14 C +ATOM 588 O VAL A1351 0.822 5.622 19.615 1.00 11.00 O +ATOM 589 CB VAL A1351 3.023 3.747 17.894 1.00 10.35 C +ATOM 590 CG1 VAL A1351 2.829 5.041 17.086 1.00 13.24 C +ATOM 591 CG2 VAL A1351 4.497 3.404 17.927 1.00 12.09 C +ATOM 592 N SER A1352 0.102 3.608 18.904 1.00 11.99 N +ATOM 593 CA SER A1352 -1.242 4.102 18.765 1.00 13.10 C +ATOM 594 C SER A1352 -1.766 4.595 20.107 1.00 14.52 C +ATOM 595 O SER A1352 -2.440 5.613 20.158 1.00 13.83 O +ATOM 596 CB SER A1352 -2.126 3.046 18.087 1.00 14.90 C +ATOM 597 OG SER A1352 -1.753 2.875 16.714 1.00 19.16 O +ATOM 598 N LEU A1353 -1.526 3.908 21.211 1.00 13.62 N +ATOM 599 CA LEU A1353 -1.944 4.314 22.561 1.00 12.85 C +ATOM 600 C LEU A1353 -1.386 5.680 22.933 1.00 9.75 C +ATOM 601 O LEU A1353 -2.137 6.581 23.351 1.00 9.94 O +ATOM 602 CB LEU A1353 -1.458 3.279 23.591 1.00 20.49 C +ATOM 603 CG LEU A1353 -2.442 2.408 24.281 1.00 25.60 C +ATOM 604 CD1 LEU A1353 -1.732 1.600 25.340 1.00 19.54 C +ATOM 605 CD2 LEU A1353 -3.594 3.216 24.897 1.00 25.70 C +ATOM 606 N LEU A1354 -0.086 5.871 22.827 1.00 8.98 N +ATOM 607 CA LEU A1354 0.532 7.149 23.151 1.00 8.57 C +ATOM 608 C LEU A1354 -0.028 8.250 22.281 1.00 9.44 C +ATOM 609 O LEU A1354 -0.251 9.339 22.791 1.00 10.45 O +ATOM 610 CB LEU A1354 2.062 7.078 23.009 1.00 8.66 C +ATOM 611 CG LEU A1354 2.758 6.202 24.064 1.00 8.69 C +ATOM 612 CD1 LEU A1354 4.213 6.091 23.707 1.00 12.84 C +ATOM 613 CD2 LEU A1354 2.616 6.791 25.443 1.00 11.55 C +ATOM 614 N LYS A1355 -0.339 7.998 21.022 1.00 8.98 N +ATOM 615 CA LYS A1355 -0.892 8.996 20.150 1.00 8.66 C +ATOM 616 C LYS A1355 -2.351 9.281 20.464 1.00 9.01 C +ATOM 617 O LYS A1355 -2.803 10.379 20.281 1.00 10.63 O +ATOM 618 CB LYS A1355 -0.749 8.584 18.681 1.00 10.01 C +ATOM 619 CG LYS A1355 0.688 8.623 18.173 1.00 11.28 C +ATOM 620 CD LYS A1355 0.793 8.435 16.707 1.00 15.19 C +ATOM 621 CE LYS A1355 2.201 8.808 16.244 1.00 19.93 C +ATOM 622 NZ LYS A1355 2.197 8.875 14.759 1.00 26.88 N +ATOM 623 N THR A1356 -3.087 8.326 21.013 1.00 9.09 N +ATOM 624 CA THR A1356 -4.509 8.454 21.272 1.00 8.93 C +ATOM 625 C THR A1356 -4.814 9.261 22.526 1.00 8.14 C +ATOM 626 O THR A1356 -5.805 9.961 22.628 1.00 8.63 O +ATOM 627 CB THR A1356 -5.152 7.066 21.290 1.00 9.86 C +ATOM 628 OG1 THR A1356 -4.940 6.416 20.012 1.00 10.88 O +ATOM 629 CG2 THR A1356 -6.669 7.135 21.501 1.00 10.07 C +ATOM 630 N PHE A1357 -3.936 9.150 23.534 1.00 8.87 N +ATOM 631 CA PHE A1357 -4.142 9.926 24.739 1.00 8.63 C +ATOM 632 C PHE A1357 -4.225 11.407 24.421 1.00 8.17 C +ATOM 633 O PHE A1357 -3.639 11.923 23.484 1.00 9.07 O +ATOM 634 CB PHE A1357 -3.000 9.697 25.719 1.00 8.80 C +ATOM 635 CG PHE A1357 -2.810 8.277 26.232 1.00 8.79 C +ATOM 636 CD1 PHE A1357 -3.874 7.497 26.577 1.00 10.34 C +ATOM 637 CD2 PHE A1357 -1.530 7.762 26.339 1.00 10.70 C +ATOM 638 CE1 PHE A1357 -3.688 6.240 27.096 1.00 12.26 C +ATOM 639 CE2 PHE A1357 -1.316 6.510 26.866 1.00 12.79 C +ATOM 640 CZ PHE A1357 -2.401 5.766 27.238 1.00 12.22 C +ATOM 641 N GLN A1358 -4.996 12.100 25.262 1.00 9.16 N +ATOM 642 CA GLN A1358 -5.138 13.550 25.166 1.00 9.29 C +ATOM 643 C GLN A1358 -4.643 14.182 26.466 1.00 11.28 C +ATOM 644 O GLN A1358 -4.677 13.569 27.514 1.00 11.92 O +ATOM 645 CB GLN A1358 -6.559 14.026 24.886 1.00 9.31 C +ATOM 646 CG GLN A1358 -6.995 13.683 23.471 1.00 10.21 C +ATOM 647 CD GLN A1358 -8.446 13.977 23.250 1.00 9.86 C +ATOM 648 OE1 GLN A1358 -9.304 13.140 23.450 1.00 11.70 O +ATOM 649 NE2 GLN A1358 -8.734 15.231 22.862 1.00 17.13 N +ATOM 650 N ASN A1359 -4.193 15.443 26.377 1.00 10.18 N +ATOM 651 CA ASN A1359 -3.785 16.239 27.526 1.00 13.62 C +ATOM 652 C ASN A1359 -2.680 15.539 28.294 1.00 14.11 C +ATOM 653 O ASN A1359 -1.578 15.247 27.833 1.00 16.17 O +ATOM 654 CB ASN A1359 -5.047 16.586 28.328 1.00 15.36 C +ATOM 655 CG ASN A1359 -6.198 17.150 27.479 1.00 18.18 C +ATOM 656 OD1 ASN A1359 -7.337 16.663 27.535 1.00 37.76 O +ATOM 657 ND2 ASN A1359 -5.847 18.127 26.668 1.00 28.87 N +ATOM 658 N THR A1360 -2.784 15.244 29.569 1.00 16.56 N +ATOM 659 CA THR A1360 -1.544 14.759 30.204 1.00 23.58 C +ATOM 660 C THR A1360 -1.478 13.253 30.163 1.00 21.24 C +ATOM 661 O THR A1360 -2.448 12.464 30.193 1.00 29.34 O +ATOM 662 CB THR A1360 -1.489 15.414 31.584 1.00 26.19 C +ATOM 663 OG1 THR A1360 -2.818 15.498 32.116 1.00 39.30 O +ATOM 664 CG2 THR A1360 -1.073 16.876 31.476 1.00 26.48 C +ATOM 665 N VAL A1361 -0.242 12.781 30.020 1.00 13.88 N +ATOM 666 CA VAL A1361 0.066 11.378 30.091 1.00 12.12 C +ATOM 667 C VAL A1361 0.960 11.165 31.312 1.00 10.80 C +ATOM 668 O VAL A1361 1.983 11.829 31.486 1.00 12.58 O +ATOM 669 CB VAL A1361 0.739 10.863 28.814 1.00 12.42 C +ATOM 670 CG1 VAL A1361 1.095 9.396 28.903 1.00 11.90 C +ATOM 671 CG2 VAL A1361 -0.187 11.106 27.635 1.00 13.49 C +ATOM 672 N GLU A1362 0.536 10.239 32.188 1.00 9.70 N +ATOM 673 CA GLU A1362 1.297 9.851 33.380 1.00 9.22 C +ATOM 674 C GLU A1362 2.048 8.571 33.046 1.00 8.22 C +ATOM 675 O GLU A1362 1.408 7.505 32.905 1.00 9.74 O +ATOM 676 CB GLU A1362 0.323 9.613 34.513 1.00 12.36 C +ATOM 677 CG GLU A1362 -0.237 10.871 35.121 1.00 26.31 C +ATOM 678 CD GLU A1362 0.767 11.691 35.913 1.00 34.24 C +ATOM 679 OE1 GLU A1362 1.842 11.190 36.300 1.00 36.80 O +ATOM 680 OE2 GLU A1362 0.422 12.857 36.123 1.00 44.58 O +ATOM 681 N LEU A1363 3.370 8.678 32.898 1.00 7.24 N +ATOM 682 CA LEU A1363 4.229 7.572 32.567 1.00 7.62 C +ATOM 683 C LEU A1363 4.882 6.986 33.819 1.00 7.28 C +ATOM 684 O LEU A1363 5.228 7.720 34.733 1.00 9.48 O +ATOM 685 CB LEU A1363 5.343 8.039 31.622 1.00 8.63 C +ATOM 686 CG LEU A1363 4.911 8.612 30.291 1.00 8.84 C +ATOM 687 CD1 LEU A1363 6.113 9.292 29.629 1.00 11.25 C +ATOM 688 CD2 LEU A1363 4.326 7.545 29.375 1.00 11.63 C +ATOM 689 N ILE A1364 5.088 5.700 33.807 1.00 7.30 N +ATOM 690 CA ILE A1364 6.063 5.043 34.698 1.00 7.09 C +ATOM 691 C ILE A1364 7.183 4.587 33.802 1.00 7.12 C +ATOM 692 O ILE A1364 6.961 3.844 32.845 1.00 7.37 O +ATOM 693 CB ILE A1364 5.495 3.888 35.518 1.00 8.35 C +ATOM 694 CG1 ILE A1364 4.241 4.257 36.328 1.00 10.62 C +ATOM 695 CG2 ILE A1364 6.582 3.329 36.427 1.00 10.27 C +ATOM 696 CD1 ILE A1364 4.481 5.356 37.349 1.00 12.40 C +ATOM 697 N ILE A1365 8.412 5.040 34.120 1.00 7.03 N +ATOM 698 CA ILE A1365 9.594 4.609 33.372 1.00 7.82 C +ATOM 699 C ILE A1365 10.561 3.910 34.309 1.00 7.66 C +ATOM 700 O ILE A1365 10.568 4.124 35.519 1.00 8.98 O +ATOM 701 CB ILE A1365 10.209 5.793 32.625 1.00 9.21 C +ATOM 702 CG1AILE A1365 10.818 6.889 33.488 0.54 10.25 C +ATOM 703 CG1BILE A1365 10.672 6.852 33.618 0.46 17.66 C +ATOM 704 CG2 ILE A1365 9.252 6.426 31.603 1.00 11.95 C +ATOM 705 CD1AILE A1365 12.273 6.672 33.784 0.54 9.79 C +ATOM 706 CD1BILE A1365 11.857 7.725 33.343 0.46 10.32 C +ATOM 707 N VAL A1366 11.439 3.130 33.733 1.00 8.09 N +ATOM 708 CA VAL A1366 12.612 2.565 34.399 1.00 8.02 C +ATOM 709 C VAL A1366 13.864 3.170 33.721 1.00 7.33 C +ATOM 710 O VAL A1366 14.039 3.056 32.528 1.00 8.55 O +ATOM 711 CB VAL A1366 12.642 1.038 34.352 1.00 9.69 C +ATOM 712 CG1 VAL A1366 13.874 0.511 35.074 1.00 15.25 C +ATOM 713 CG2 VAL A1366 11.390 0.442 34.979 1.00 18.97 C +ATOM 714 N ARG A1367 14.637 3.880 34.529 1.00 8.41 N +ATOM 715 CA ARG A1367 15.846 4.585 34.105 1.00 8.44 C +ATOM 716 C ARG A1367 17.063 3.888 34.690 1.00 8.47 C +ATOM 717 O ARG A1367 17.105 3.594 35.867 1.00 10.49 O +ATOM 718 CB ARG A1367 15.769 6.011 34.569 1.00 8.89 C +ATOM 719 CG ARG A1367 16.993 6.844 34.247 1.00 9.63 C +ATOM 720 CD ARG A1367 16.766 8.310 34.565 1.00 10.22 C +ATOM 721 NE ARG A1367 15.734 8.878 33.746 1.00 9.35 N +ATOM 722 CZ ARG A1367 15.099 10.004 34.007 1.00 10.16 C +ATOM 723 NH1 ARG A1367 15.380 10.719 35.055 1.00 11.99 N +ATOM 724 NH2 ARG A1367 14.165 10.385 33.159 1.00 12.03 N +ATOM 725 N GLU A1368 18.076 3.640 33.882 1.00 9.78 N +ATOM 726 CA GLU A1368 19.345 3.119 34.364 1.00 9.55 C +ATOM 727 C GLU A1368 20.108 4.312 34.970 1.00 13.09 C +ATOM 728 O GLU A1368 20.053 5.422 34.481 1.00 15.47 O +ATOM 729 CB GLU A1368 20.132 2.459 33.282 1.00 10.07 C +ATOM 730 CG GLU A1368 19.449 1.310 32.591 1.00 11.69 C +ATOM 731 CD GLU A1368 18.973 0.305 33.642 1.00 15.81 C +ATOM 732 OE1 GLU A1368 19.845 -0.257 34.316 1.00 19.39 O +ATOM 733 OE2 GLU A1368 17.755 0.093 33.782 1.00 20.78 O +ATOM 734 N VAL A1369 20.838 3.997 36.010 1.00 14.18 N +ATOM 735 CA VAL A1369 21.576 4.997 36.738 1.00 18.81 C +ATOM 736 C VAL A1369 23.013 4.542 36.948 1.00 15.18 C +ATOM 737 O VAL A1369 23.301 3.381 37.290 1.00 14.80 O +ATOM 738 CB VAL A1369 20.909 5.252 38.102 1.00 27.76 C +ATOM 739 CG1 VAL A1369 19.477 5.720 37.910 1.00 41.67 C +ATOM 740 CG2 VAL A1369 20.923 4.018 38.994 1.00 42.04 C +ATOM 741 N SER A1370 23.954 5.463 36.709 1.00 13.80 N +ATOM 742 CA SER A1370 25.352 5.164 36.906 1.00 11.86 C +ATOM 743 C SER A1370 25.652 4.604 38.288 1.00 12.70 C +ATOM 744 O SER A1370 25.082 5.070 39.276 1.00 13.95 O +ATOM 745 CB SER A1370 26.198 6.442 36.732 1.00 13.55 C +ATOM 746 OG SER A1370 27.585 6.157 36.750 1.00 12.87 O +ATOM 747 N SER A1371 26.619 3.701 38.335 1.00 12.72 N +ATOM 748 CA SER A1371 27.314 3.323 39.569 1.00 15.16 C +ATOM 749 C SER A1371 28.055 4.509 40.153 1.00 15.54 C +ATOM 750 O SER A1371 28.215 5.525 39.461 1.00 13.66 O +ATOM 751 CB SER A1371 28.307 2.207 39.276 1.00 16.89 C +ATOM 752 OG SER A1371 27.658 1.023 38.865 1.00 19.72 O +ATOM 753 OXT SER A1371 28.478 4.428 41.349 1.00 21.05 O +ATOM 755 N GLU B1247 17.824 -6.373 13.285 1.00 38.45 N +ATOM 756 CA GLU B1247 18.640 -5.506 14.115 1.00 30.17 C +ATOM 757 C GLU B1247 18.095 -4.072 14.116 1.00 22.43 C +ATOM 758 O GLU B1247 17.560 -3.650 13.068 1.00 18.79 O +ATOM 759 CB GLU B1247 20.079 -5.528 13.614 1.00 42.36 C +ATOM 760 CG GLU B1247 20.259 -5.166 12.145 1.00 51.47 C +ATOM 761 CD GLU B1247 21.737 -5.000 11.801 1.00 54.12 C +ATOM 762 OE1 GLU B1247 22.578 -5.028 12.723 1.00 93.99 O +ATOM 763 OE2 GLU B1247 22.055 -4.834 10.601 1.00 61.69 O +ATOM 764 N TYR B1248 18.219 -3.305 15.204 1.00 16.11 N +ATOM 765 CA TYR B1248 17.777 -1.933 15.289 1.00 11.54 C +ATOM 766 C TYR B1248 18.694 -1.035 14.473 1.00 10.38 C +ATOM 767 O TYR B1248 19.908 -1.122 14.660 1.00 12.64 O +ATOM 768 CB TYR B1248 17.813 -1.440 16.751 1.00 13.47 C +ATOM 769 CG TYR B1248 17.268 -0.024 16.868 1.00 11.81 C +ATOM 770 CD1 TYR B1248 15.948 0.254 16.567 1.00 11.90 C +ATOM 771 CD2 TYR B1248 18.106 1.025 17.286 1.00 12.85 C +ATOM 772 CE1 TYR B1248 15.442 1.550 16.688 1.00 11.97 C +ATOM 773 CE2 TYR B1248 17.618 2.317 17.394 1.00 12.65 C +ATOM 774 CZ TYR B1248 16.284 2.551 17.091 1.00 13.14 C +ATOM 775 OH TYR B1248 15.787 3.843 17.181 1.00 13.83 O +ATOM 776 N LEU B1249 18.146 -0.169 13.619 1.00 12.04 N +ATOM 777 CA LEU B1249 18.891 0.630 12.688 1.00 10.57 C +ATOM 778 C LEU B1249 18.564 2.124 12.839 1.00 9.98 C +ATOM 779 O LEU B1249 18.851 2.945 11.976 1.00 11.57 O +ATOM 780 CB LEU B1249 18.623 0.187 11.246 1.00 13.45 C +ATOM 781 CG LEU B1249 19.059 -1.226 10.857 1.00 13.33 C +ATOM 782 CD1 LEU B1249 18.686 -1.464 9.383 1.00 19.52 C +ATOM 783 CD2 LEU B1249 20.546 -1.393 11.133 1.00 15.83 C +ATOM 784 N GLY B1250 17.979 2.494 13.979 1.00 10.94 N +ATOM 785 CA GLY B1250 17.779 3.879 14.283 1.00 11.49 C +ATOM 786 C GLY B1250 16.459 4.506 13.937 1.00 11.07 C +ATOM 787 O GLY B1250 16.241 5.689 14.111 1.00 12.52 O +ATOM 788 N LEU B1251 15.511 3.712 13.427 1.00 10.21 N +ATOM 789 CA LEU B1251 14.198 4.241 13.124 1.00 9.59 C +ATOM 790 C LEU B1251 13.288 4.275 14.356 1.00 8.99 C +ATOM 791 O LEU B1251 12.772 3.241 14.793 1.00 11.11 O +ATOM 792 CB LEU B1251 13.501 3.464 11.994 1.00 10.41 C +ATOM 793 CG LEU B1251 12.203 4.143 11.529 1.00 10.50 C +ATOM 794 CD1 LEU B1251 12.478 5.427 10.790 1.00 11.81 C +ATOM 795 CD2 LEU B1251 11.402 3.220 10.631 1.00 10.72 C +ATOM 796 N ASP B1252 13.072 5.468 14.875 1.00 9.56 N +ATOM 797 CA ASP B1252 12.231 5.674 16.047 1.00 8.54 C +ATOM 798 C ASP B1252 10.977 6.389 15.563 1.00 8.25 C +ATOM 799 O ASP B1252 10.868 6.795 14.412 1.00 9.28 O +ATOM 800 CB ASP B1252 13.008 6.431 17.125 1.00 9.10 C +ATOM 801 CG ASP B1252 13.640 7.743 16.750 1.00 10.31 C +ATOM 802 OD1 ASP B1252 13.500 8.131 15.577 1.00 13.44 O +ATOM 803 OD2 ASP B1252 14.269 8.345 17.641 1.00 11.44 O +ATOM 804 N VAL B1253 10.034 6.542 16.473 1.00 8.72 N +ATOM 805 CA VAL B1253 8.726 7.073 16.200 1.00 8.67 C +ATOM 806 C VAL B1253 8.424 8.269 17.108 1.00 7.78 C +ATOM 807 O VAL B1253 8.294 8.059 18.329 1.00 8.04 O +ATOM 808 CB VAL B1253 7.596 6.030 16.380 1.00 10.25 C +ATOM 809 CG1 VAL B1253 6.223 6.657 16.088 1.00 12.03 C +ATOM 810 CG2 VAL B1253 7.850 4.825 15.485 1.00 12.54 C +ATOM 811 N PRO B1254 8.279 9.457 16.558 1.00 8.98 N +ATOM 812 CA PRO B1254 7.904 10.615 17.405 1.00 9.92 C +ATOM 813 C PRO B1254 6.462 10.541 17.853 1.00 9.63 C +ATOM 814 O PRO B1254 5.548 10.209 17.092 1.00 12.08 O +ATOM 815 CB PRO B1254 8.090 11.840 16.491 1.00 11.46 C +ATOM 816 CG PRO B1254 8.598 11.325 15.223 1.00 18.54 C +ATOM 817 CD PRO B1254 8.540 9.853 15.169 1.00 10.86 C +ATOM 818 N VAL B1255 6.244 10.824 19.133 1.00 8.98 N +ATOM 819 CA VAL B1255 4.914 10.886 19.698 1.00 9.62 C +ATOM 820 C VAL B1255 4.765 12.168 20.523 1.00 9.64 C +ATOM 821 O VAL B1255 3.629 12.416 20.987 1.00 12.35 O +ATOM 822 CB VAL B1255 4.645 9.655 20.598 1.00 10.11 C +ATOM 823 CG1 VAL B1255 4.648 8.370 19.777 1.00 12.09 C +ATOM 824 CG2 VAL B1255 5.678 9.536 21.728 1.00 10.10 C +ATOM 825 OXT VAL B1255 5.730 12.972 20.686 1.00 10.38 O Added: SwiftApps/modFTdock/input/1mil-1.pdb =================================================================== --- SwiftApps/modFTdock/input/1mil-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/1mil-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,810 @@ +ATOM 1 N GLY A 1 16.788 30.028 4.003 1.00 35.98 N +ATOM 2 CA GLY A 1 18.203 29.771 4.185 1.00 41.54 C +ATOM 3 C GLY A 1 18.616 30.084 5.603 1.00 45.54 C +ATOM 4 O GLY A 1 18.767 29.168 6.408 1.00 49.89 O +ATOM 5 N SER A 2 18.769 31.377 5.904 1.00 47.50 N +ATOM 6 CA SER A 2 19.155 31.867 7.236 1.00 45.04 C +ATOM 7 C SER A 2 18.061 31.646 8.285 1.00 46.04 C +ATOM 8 O SER A 2 17.596 32.596 8.929 1.00 45.54 O +ATOM 9 CB SER A 2 19.506 33.361 7.173 1.00 48.03 C +ATOM 10 OG SER A 2 18.507 34.107 6.483 1.00 54.01 O +ATOM 11 N GLN A 3 17.678 30.386 8.474 1.00 44.00 N +ATOM 12 CA GLN A 3 16.647 30.051 9.431 1.00 39.40 C +ATOM 13 C GLN A 3 16.334 28.575 9.353 1.00 35.05 C +ATOM 14 O GLN A 3 17.210 27.765 9.049 1.00 30.41 O +ATOM 15 N LEU A 4 15.069 28.243 9.599 1.00 32.40 N +ATOM 16 CA LEU A 4 14.575 26.869 9.577 1.00 31.51 C +ATOM 17 C LEU A 4 15.179 26.035 8.451 1.00 31.26 C +ATOM 18 O LEU A 4 15.528 24.872 8.651 1.00 28.07 O +ATOM 19 CB LEU A 4 13.050 26.867 9.429 1.00 26.48 C +ATOM 20 CG LEU A 4 12.394 25.492 9.285 1.00 20.39 C +ATOM 21 CD1 LEU A 4 12.629 24.725 10.562 1.00 16.79 C +ATOM 22 CD2 LEU A 4 10.903 25.611 9.003 1.00 19.56 C +ATOM 23 N ARG A 5 15.288 26.633 7.268 1.00 25.44 N +ATOM 24 CA ARG A 5 15.826 25.947 6.106 1.00 25.93 C +ATOM 25 C ARG A 5 17.344 25.847 6.166 1.00 32.60 C +ATOM 26 O ARG A 5 18.053 26.318 5.281 1.00 44.30 O +ATOM 27 CB ARG A 5 15.373 26.652 4.830 1.00 34.40 C +ATOM 28 N GLY A 6 17.829 25.195 7.211 1.00 38.27 N +ATOM 29 CA GLY A 6 19.253 25.011 7.402 1.00 36.74 C +ATOM 30 C GLY A 6 19.417 23.891 8.409 1.00 35.81 C +ATOM 31 O GLY A 6 20.355 23.085 8.330 1.00 29.19 O +ATOM 32 N GLU A 7 18.446 23.830 9.319 1.00 30.19 N +ATOM 33 CA GLU A 7 18.369 22.852 10.401 1.00 21.09 C +ATOM 34 C GLU A 7 18.592 21.428 9.949 1.00 18.36 C +ATOM 35 O GLU A 7 17.805 20.878 9.203 1.00 19.51 O +ATOM 36 CB GLU A 7 17.011 22.953 11.054 1.00 26.36 C +ATOM 37 CG GLU A 7 16.742 24.312 11.613 1.00 22.24 C +ATOM 38 CD GLU A 7 17.617 24.572 12.772 1.00 23.58 C +ATOM 39 OE1 GLU A 7 17.812 23.623 13.566 1.00 35.24 O +ATOM 40 OE2 GLU A 7 18.112 25.709 12.895 1.00 26.09 O +ATOM 41 N PRO A 8 19.599 20.770 10.521 1.00 17.92 N +ATOM 42 CA PRO A 8 19.978 19.387 10.202 1.00 16.11 C +ATOM 43 C PRO A 8 18.845 18.387 10.113 1.00 13.01 C +ATOM 44 O PRO A 8 18.941 17.428 9.366 1.00 13.22 O +ATOM 45 CB PRO A 8 20.967 19.045 11.315 1.00 8.97 C +ATOM 46 CG PRO A 8 20.569 19.948 12.425 1.00 11.71 C +ATOM 47 CD PRO A 8 20.310 21.242 11.716 1.00 8.09 C +ATOM 48 N TRP A 9 17.806 18.599 10.919 1.00 22.81 N +ATOM 49 CA TRP A 9 16.605 17.740 10.977 1.00 22.69 C +ATOM 50 C TRP A 9 15.500 18.152 9.992 1.00 17.20 C +ATOM 51 O TRP A 9 14.484 17.468 9.874 1.00 9.29 O +ATOM 52 CB TRP A 9 16.011 17.686 12.423 1.00 16.69 C +ATOM 53 CG TRP A 9 16.031 19.009 13.183 1.00 13.37 C +ATOM 54 CD1 TRP A 9 16.942 19.390 14.125 1.00 10.54 C +ATOM 55 CD2 TRP A 9 15.161 20.145 12.988 1.00 13.37 C +ATOM 56 NE1 TRP A 9 16.711 20.688 14.512 1.00 12.91 N +ATOM 57 CE2 TRP A 9 15.624 21.176 13.838 1.00 5.70 C +ATOM 58 CE3 TRP A 9 14.048 20.396 12.170 1.00 14.96 C +ATOM 59 CZ2 TRP A 9 15.017 22.431 13.897 1.00 5.66 C +ATOM 60 CZ3 TRP A 9 13.447 21.649 12.227 1.00 8.31 C +ATOM 61 CH2 TRP A 9 13.935 22.650 13.088 1.00 8.51 C +ATOM 62 N PHE A 10 15.667 19.288 9.328 1.00 9.27 N +ATOM 63 CA PHE A 10 14.654 19.735 8.397 1.00 13.48 C +ATOM 64 C PHE A 10 15.028 19.296 6.979 1.00 14.73 C +ATOM 65 O PHE A 10 15.986 19.820 6.413 1.00 16.93 O +ATOM 66 CB PHE A 10 14.453 21.245 8.488 1.00 5.57 C +ATOM 67 CG PHE A 10 13.576 21.782 7.403 1.00 10.84 C +ATOM 68 CD1 PHE A 10 14.110 22.124 6.163 1.00 11.42 C +ATOM 69 CD2 PHE A 10 12.214 21.865 7.578 1.00 15.43 C +ATOM 70 CE1 PHE A 10 13.307 22.529 5.121 1.00 5.40 C +ATOM 71 CE2 PHE A 10 11.394 22.272 6.527 1.00 24.90 C +ATOM 72 CZ PHE A 10 11.949 22.599 5.298 1.00 11.18 C +ATOM 73 N HIS A 11 14.229 18.390 6.396 1.00 7.56 N +ATOM 74 CA HIS A 11 14.483 17.826 5.073 1.00 2.70 C +ATOM 75 C HIS A 11 13.766 18.471 3.911 1.00 14.50 C +ATOM 76 O HIS A 11 13.501 17.800 2.907 1.00 19.81 O +ATOM 77 CB HIS A 11 14.157 16.332 5.047 1.00 4.94 C +ATOM 78 CG HIS A 11 14.889 15.528 6.072 1.00 5.40 C +ATOM 79 ND1 HIS A 11 15.470 14.312 5.788 1.00 11.27 N +ATOM 80 CD2 HIS A 11 15.066 15.724 7.401 1.00 13.04 C +ATOM 81 CE1 HIS A 11 15.962 13.788 6.900 1.00 6.07 C +ATOM 82 NE2 HIS A 11 15.729 14.625 7.893 1.00 2.76 N +ATOM 83 N GLY A 12 13.463 19.760 4.001 1.00 20.25 N +ATOM 84 CA GLY A 12 12.782 20.403 2.886 1.00 26.68 C +ATOM 85 C GLY A 12 11.472 19.701 2.592 1.00 27.79 C +ATOM 86 O GLY A 12 10.891 19.097 3.490 1.00 36.83 O +ATOM 87 N LYS A 13 11.013 19.750 1.345 1.00 27.96 N +ATOM 88 CA LYS A 13 9.755 19.105 0.963 1.00 17.10 C +ATOM 89 C LYS A 13 9.846 17.570 0.888 1.00 19.63 C +ATOM 90 O LYS A 13 9.865 16.980 -0.188 1.00 19.33 O +ATOM 91 CB LYS A 13 9.273 19.675 -0.375 1.00 13.85 C +ATOM 92 CG LYS A 13 7.978 20.446 -0.284 1.00 16.26 C +ATOM 93 CD LYS A 13 7.892 21.551 -1.325 1.00 18.50 C +ATOM 94 CE LYS A 13 8.869 22.682 -1.013 1.00 23.91 C +ATOM 95 NZ LYS A 13 8.466 23.962 -1.666 1.00 38.42 N +ATOM 96 N LEU A 14 9.899 16.908 2.031 1.00 29.77 N +ATOM 97 CA LEU A 14 9.963 15.454 2.005 1.00 29.97 C +ATOM 98 C LEU A 14 8.543 14.861 1.969 1.00 29.60 C +ATOM 99 O LEU A 14 7.635 15.329 2.660 1.00 21.57 O +ATOM 100 CB LEU A 14 10.783 14.898 3.185 1.00 14.81 C +ATOM 101 CG LEU A 14 11.249 13.466 2.934 1.00 9.70 C +ATOM 102 CD1 LEU A 14 12.159 13.449 1.718 1.00 6.00 C +ATOM 103 CD2 LEU A 14 11.926 12.876 4.175 1.00 8.16 C +ATOM 104 N SER A 15 8.357 13.867 1.106 1.00 26.51 N +ATOM 105 CA SER A 15 7.079 13.197 0.944 1.00 26.23 C +ATOM 106 C SER A 15 6.703 12.437 2.220 1.00 30.84 C +ATOM 107 O SER A 15 7.586 12.023 2.979 1.00 38.27 O +ATOM 108 CB SER A 15 7.170 12.265 -0.260 1.00 17.92 C +ATOM 109 OG SER A 15 6.200 11.249 -0.219 1.00 15.41 O +ATOM 110 N ARG A 16 5.405 12.241 2.448 1.00 22.99 N +ATOM 111 CA ARG A 16 4.914 11.534 3.631 1.00 14.79 C +ATOM 112 C ARG A 16 5.443 10.108 3.854 1.00 16.47 C +ATOM 113 O ARG A 16 5.870 9.760 4.961 1.00 20.10 O +ATOM 114 CB AARG A 16 3.412 11.500 3.487 0.49 16.17 C +ATOM 115 CB BARG A 16 3.386 11.488 3.700 0.51 18.33 C +ATOM 116 CG AARG A 16 2.598 10.842 4.568 0.49 23.36 C +ATOM 117 CG BARG A 16 2.891 10.587 4.870 0.51 22.83 C +ATOM 118 CD AARG A 16 1.146 11.068 4.198 0.49 13.62 C +ATOM 119 CD BARG A 16 1.424 10.200 4.793 0.51 18.04 C +ATOM 120 NE AARG A 16 0.954 12.426 3.678 0.49 20.80 N +ATOM 121 NE BARG A 16 0.544 11.080 5.567 0.51 27.86 N +ATOM 122 CZ AARG A 16 0.782 12.728 2.388 0.49 19.75 C +ATOM 123 CZ BARG A 16 0.117 10.833 6.809 0.51 23.63 C +ATOM 124 NH1AARG A 16 0.770 11.779 1.467 0.49 10.64 N +ATOM 125 NH1BARG A 16 0.494 9.732 7.453 0.51 19.07 N +ATOM 126 NH2AARG A 16 0.665 13.990 2.011 0.49 22.52 N +ATOM 127 NH2BARG A 16 -0.740 11.667 7.389 0.51 19.03 N +ATOM 128 N ARG A 17 5.335 9.269 2.827 1.00 15.30 N +ATOM 129 CA ARG A 17 5.756 7.869 2.892 1.00 15.90 C +ATOM 130 C ARG A 17 7.259 7.702 3.051 1.00 16.59 C +ATOM 131 O ARG A 17 7.720 6.801 3.749 1.00 22.31 O +ATOM 132 CB ARG A 17 5.279 7.121 1.642 1.00 26.26 C +ATOM 133 CG ARG A 17 3.799 7.361 1.310 1.00 35.74 C +ATOM 134 CD ARG A 17 3.421 6.877 -0.093 1.00 37.88 C +ATOM 135 NE ARG A 17 3.134 5.442 -0.141 1.00 31.89 N +ATOM 136 CZ ARG A 17 2.752 4.785 -1.234 1.00 33.07 C +ATOM 137 NH1 ARG A 17 2.608 5.418 -2.394 1.00 42.00 N +ATOM 138 NH2 ARG A 17 2.489 3.491 -1.163 1.00 34.74 N +ATOM 139 N GLU A 18 8.027 8.556 2.387 1.00 16.12 N +ATOM 140 CA GLU A 18 9.480 8.502 2.484 1.00 9.56 C +ATOM 141 C GLU A 18 9.834 8.758 3.939 1.00 12.24 C +ATOM 142 O GLU A 18 10.463 7.937 4.598 1.00 14.31 O +ATOM 143 CB GLU A 18 10.098 9.575 1.602 1.00 7.11 C +ATOM 144 CG GLU A 18 9.382 9.751 0.272 1.00 20.10 C +ATOM 145 CD GLU A 18 10.220 10.444 -0.773 1.00 17.64 C +ATOM 146 OE1 GLU A 18 10.258 11.694 -0.845 1.00 12.71 O +ATOM 147 OE2 GLU A 18 10.858 9.709 -1.538 1.00 27.81 O +ATOM 148 N ALA A 19 9.362 9.886 4.452 1.00 10.73 N +ATOM 149 CA ALA A 19 9.594 10.278 5.828 1.00 12.05 C +ATOM 150 C ALA A 19 9.414 9.140 6.849 1.00 12.63 C +ATOM 151 O ALA A 19 10.090 9.111 7.885 1.00 21.12 O +ATOM 152 CB ALA A 19 8.698 11.455 6.177 1.00 11.77 C +ATOM 153 N GLU A 20 8.492 8.223 6.569 1.00 13.62 N +ATOM 154 CA GLU A 20 8.223 7.093 7.477 1.00 16.77 C +ATOM 155 C GLU A 20 9.287 6.003 7.300 1.00 17.26 C +ATOM 156 O GLU A 20 9.505 5.168 8.177 1.00 14.17 O +ATOM 157 CB GLU A 20 6.809 6.520 7.250 1.00 6.35 C +ATOM 158 CG GLU A 20 5.654 7.502 7.516 1.00 8.75 C +ATOM 159 CD GLU A 20 4.257 6.889 7.268 1.00 25.64 C +ATOM 160 OE1 GLU A 20 4.177 5.657 7.013 1.00 26.82 O +ATOM 161 OE2 GLU A 20 3.235 7.634 7.331 1.00 22.67 O +ATOM 162 N ALA A 21 9.943 6.029 6.145 1.00 25.78 N +ATOM 163 CA ALA A 21 11.011 5.097 5.812 1.00 14.90 C +ATOM 164 C ALA A 21 12.355 5.637 6.294 1.00 21.17 C +ATOM 165 O ALA A 21 13.403 5.229 5.788 1.00 30.05 O +ATOM 166 CB ALA A 21 11.058 4.903 4.335 1.00 9.12 C +ATOM 167 N LEU A 22 12.335 6.618 7.192 1.00 11.10 N +ATOM 168 CA LEU A 22 13.569 7.173 7.710 1.00 8.70 C +ATOM 169 C LEU A 22 13.585 7.054 9.229 1.00 13.53 C +ATOM 170 O LEU A 22 14.555 7.449 9.885 1.00 15.20 O +ATOM 171 CB LEU A 22 13.723 8.635 7.281 1.00 10.71 C +ATOM 172 CG LEU A 22 14.495 8.998 6.015 1.00 2.00 C +ATOM 173 CD1 LEU A 22 14.226 8.037 4.897 1.00 2.30 C +ATOM 174 CD2 LEU A 22 14.146 10.441 5.624 1.00 2.00 C +ATOM 175 N LEU A 23 12.486 6.557 9.785 1.00 7.39 N +ATOM 176 CA LEU A 23 12.361 6.369 11.229 1.00 11.53 C +ATOM 177 C LEU A 23 12.745 4.913 11.514 1.00 12.88 C +ATOM 178 O LEU A 23 12.249 4.015 10.843 1.00 9.07 O +ATOM 179 CB LEU A 23 10.907 6.628 11.692 1.00 17.47 C +ATOM 180 CG LEU A 23 10.172 7.893 11.204 1.00 20.39 C +ATOM 181 CD1 LEU A 23 8.664 7.754 11.357 1.00 18.19 C +ATOM 182 CD2 LEU A 23 10.671 9.117 11.935 1.00 24.57 C +ATOM 183 N GLN A 24 13.655 4.690 12.464 1.00 15.01 N +ATOM 184 CA GLN A 24 14.098 3.342 12.819 1.00 19.40 C +ATOM 185 C GLN A 24 13.679 2.988 14.233 1.00 20.98 C +ATOM 186 O GLN A 24 13.158 1.903 14.465 1.00 28.07 O +ATOM 187 CB GLN A 24 15.623 3.212 12.662 1.00 24.65 C +ATOM 188 CG GLN A 24 16.197 1.799 12.927 1.00 40.41 C +ATOM 189 CD GLN A 24 17.670 1.619 12.463 1.00 52.60 C +ATOM 190 OE1 GLN A 24 17.976 1.738 11.269 1.00 55.07 O +ATOM 191 NE2 GLN A 24 18.568 1.290 13.406 1.00 46.17 N +ATOM 192 N LEU A 25 13.901 3.923 15.160 1.00 26.35 N +ATOM 193 CA LEU A 25 13.576 3.771 16.589 1.00 18.55 C +ATOM 194 C LEU A 25 12.543 4.812 16.998 1.00 15.97 C +ATOM 195 O LEU A 25 12.563 5.941 16.523 1.00 10.21 O +ATOM 196 CB LEU A 25 14.802 4.038 17.481 1.00 14.42 C +ATOM 197 CG LEU A 25 16.221 3.557 17.156 1.00 15.46 C +ATOM 198 CD1 LEU A 25 17.127 4.183 18.184 1.00 7.68 C +ATOM 199 CD2 LEU A 25 16.354 2.026 17.175 1.00 5.48 C +ATOM 200 N ASN A 26 11.724 4.456 17.975 1.00 18.15 N +ATOM 201 CA ASN A 26 10.699 5.344 18.495 1.00 18.48 C +ATOM 202 C ASN A 26 11.417 6.615 18.886 1.00 8.99 C +ATOM 203 O ASN A 26 12.607 6.591 19.124 1.00 22.81 O +ATOM 204 CB ASN A 26 9.991 4.690 19.695 1.00 20.73 C +ATOM 205 CG ASN A 26 9.159 3.477 19.292 1.00 21.70 C +ATOM 206 OD1 ASN A 26 8.235 3.597 18.495 1.00 26.49 O +ATOM 207 ND2 ASN A 26 9.495 2.308 19.820 1.00 20.29 N +ATOM 208 N GLY A 27 10.715 7.735 18.871 1.00 15.08 N +ATOM 209 CA GLY A 27 11.333 9.000 19.204 1.00 8.94 C +ATOM 210 C GLY A 27 12.101 9.615 18.052 1.00 7.06 C +ATOM 211 O GLY A 27 12.714 10.663 18.213 1.00 16.02 O +ATOM 212 N ASP A 28 12.097 8.950 16.907 1.00 6.02 N +ATOM 213 CA ASP A 28 12.768 9.439 15.700 1.00 15.36 C +ATOM 214 C ASP A 28 11.931 10.545 15.052 1.00 13.65 C +ATOM 215 O ASP A 28 10.778 10.316 14.726 1.00 26.55 O +ATOM 216 CB ASP A 28 12.958 8.294 14.665 1.00 12.42 C +ATOM 217 CG ASP A 28 14.412 7.813 14.551 1.00 17.91 C +ATOM 218 OD1 ASP A 28 15.297 8.361 15.231 1.00 25.66 O +ATOM 219 OD2 ASP A 28 14.694 6.882 13.769 1.00 20.29 O +ATOM 220 N PHE A 29 12.496 11.732 14.850 1.00 17.37 N +ATOM 221 CA PHE A 29 11.749 12.811 14.199 1.00 12.37 C +ATOM 222 C PHE A 29 12.503 13.535 13.098 1.00 9.39 C +ATOM 223 O PHE A 29 13.722 13.474 13.006 1.00 2.00 O +ATOM 224 CB PHE A 29 11.227 13.833 15.203 1.00 3.32 C +ATOM 225 CG PHE A 29 12.296 14.603 15.912 1.00 7.74 C +ATOM 226 CD1 PHE A 29 12.946 14.063 17.016 1.00 9.74 C +ATOM 227 CD2 PHE A 29 12.560 15.921 15.565 1.00 11.64 C +ATOM 228 CE1 PHE A 29 13.837 14.834 17.780 1.00 2.00 C +ATOM 229 CE2 PHE A 29 13.449 16.708 16.326 1.00 15.08 C +ATOM 230 CZ PHE A 29 14.084 16.163 17.434 1.00 5.82 C +ATOM 231 N LEU A 30 11.742 14.213 12.259 1.00 9.09 N +ATOM 232 CA LEU A 30 12.280 14.964 11.148 1.00 10.22 C +ATOM 233 C LEU A 30 11.111 15.824 10.628 1.00 13.60 C +ATOM 234 O LEU A 30 9.951 15.373 10.669 1.00 20.12 O +ATOM 235 CB LEU A 30 12.798 13.999 10.086 1.00 11.06 C +ATOM 236 CG LEU A 30 11.715 13.125 9.479 1.00 7.43 C +ATOM 237 CD1 LEU A 30 11.618 13.569 8.053 1.00 9.68 C +ATOM 238 CD2 LEU A 30 12.022 11.618 9.559 1.00 11.36 C +ATOM 239 N VAL A 31 11.406 17.070 10.227 1.00 2.90 N +ATOM 240 CA VAL A 31 10.400 18.008 9.749 1.00 2.00 C +ATOM 241 C VAL A 31 10.514 18.213 8.252 1.00 5.34 C +ATOM 242 O VAL A 31 11.599 18.170 7.690 1.00 2.58 O +ATOM 243 CB VAL A 31 10.521 19.385 10.464 1.00 5.74 C +ATOM 244 CG1 VAL A 31 9.518 20.383 9.885 1.00 2.00 C +ATOM 245 CG2 VAL A 31 10.306 19.244 11.976 1.00 2.00 C +ATOM 246 N ARG A 32 9.372 18.395 7.608 1.00 9.80 N +ATOM 247 CA ARG A 32 9.297 18.610 6.164 1.00 11.62 C +ATOM 248 C ARG A 32 8.098 19.529 5.895 1.00 13.63 C +ATOM 249 O ARG A 32 7.260 19.757 6.769 1.00 20.73 O +ATOM 250 CB ARG A 32 9.150 17.268 5.426 1.00 8.08 C +ATOM 251 CG ARG A 32 8.359 16.259 6.244 1.00 20.52 C +ATOM 252 CD ARG A 32 7.422 15.366 5.446 1.00 18.41 C +ATOM 253 NE ARG A 32 6.387 14.820 6.315 1.00 19.88 N +ATOM 254 CZ ARG A 32 5.119 14.620 5.965 1.00 21.60 C +ATOM 255 NH1 ARG A 32 4.702 14.910 4.740 1.00 8.95 N +ATOM 256 NH2 ARG A 32 4.256 14.159 6.870 1.00 14.04 N +ATOM 257 N GLU A 33 8.028 20.071 4.695 1.00 13.35 N +ATOM 258 CA GLU A 33 6.967 20.977 4.333 1.00 13.83 C +ATOM 259 C GLU A 33 5.882 20.292 3.551 1.00 22.83 C +ATOM 260 O GLU A 33 6.181 19.601 2.581 1.00 21.01 O +ATOM 261 CB GLU A 33 7.553 22.095 3.494 1.00 16.38 C +ATOM 262 CG GLU A 33 6.572 22.817 2.605 1.00 21.48 C +ATOM 263 CD GLU A 33 7.061 24.185 2.221 1.00 17.02 C +ATOM 264 OE1 GLU A 33 8.291 24.343 2.039 1.00 23.96 O +ATOM 265 OE2 GLU A 33 6.220 25.106 2.121 1.00 18.74 O +ATOM 266 N SER A 34 4.635 20.561 3.952 1.00 29.02 N +ATOM 267 CA SER A 34 3.397 20.039 3.353 1.00 34.91 C +ATOM 268 C SER A 34 3.583 19.470 1.959 1.00 38.02 C +ATOM 269 O SER A 34 3.960 20.218 1.058 1.00 44.77 O +ATOM 270 CB SER A 34 2.368 21.171 3.294 1.00 37.46 C +ATOM 271 OG SER A 34 1.394 20.961 2.284 1.00 27.00 O +ATOM 272 N THR A 35 3.230 18.199 1.746 1.00 41.07 N +ATOM 273 CA THR A 35 3.424 17.592 0.422 1.00 43.28 C +ATOM 274 C THR A 35 2.251 17.358 -0.548 1.00 49.25 C +ATOM 275 O THR A 35 2.416 17.622 -1.751 1.00 52.15 O +ATOM 276 CB THR A 35 4.330 16.346 0.508 1.00 35.69 C +ATOM 277 OG1 THR A 35 5.657 16.770 0.841 1.00 33.31 O +ATOM 278 CG2 THR A 35 4.384 15.600 -0.820 1.00 31.25 C +ATOM 279 N THR A 36 1.094 16.872 -0.073 1.00 45.83 N +ATOM 280 CA THR A 36 -0.049 16.651 -0.980 1.00 40.12 C +ATOM 281 C THR A 36 -0.266 17.936 -1.824 1.00 41.58 C +ATOM 282 O THR A 36 -0.353 17.885 -3.068 1.00 32.08 O +ATOM 283 CB THR A 36 -1.331 16.101 -0.208 1.00 32.74 C +ATOM 284 OG1 THR A 36 -1.312 14.663 -0.225 1.00 30.19 O +ATOM 285 CG2 THR A 36 -2.647 16.556 -0.836 1.00 27.91 C +ATOM 286 N THR A 37 -0.237 19.087 -1.153 1.00 33.52 N +ATOM 287 CA THR A 37 -0.352 20.365 -1.835 1.00 35.46 C +ATOM 288 C THR A 37 0.131 21.494 -0.936 1.00 39.57 C +ATOM 289 O THR A 37 -0.652 22.257 -0.359 1.00 31.01 O +ATOM 290 CB THR A 37 -1.744 20.601 -2.440 1.00 43.30 C +ATOM 291 OG1 THR A 37 -2.719 19.786 -1.769 1.00 51.35 O +ATOM 292 CG2 THR A 37 -1.718 20.254 -3.944 1.00 36.61 C +ATOM 293 N PRO A 38 1.465 21.624 -0.850 1.00 47.78 N +ATOM 294 CA PRO A 38 2.327 22.548 -0.110 1.00 51.58 C +ATOM 295 C PRO A 38 1.768 23.834 0.485 1.00 53.21 C +ATOM 296 O PRO A 38 1.134 24.647 -0.200 1.00 51.46 O +ATOM 297 CB PRO A 38 3.456 22.794 -1.092 1.00 57.45 C +ATOM 298 CG PRO A 38 3.684 21.404 -1.622 1.00 55.05 C +ATOM 299 CD PRO A 38 2.270 20.889 -1.853 1.00 50.83 C +ATOM 300 N GLY A 39 2.091 24.006 1.768 1.00 55.89 N +ATOM 301 CA GLY A 39 1.685 25.156 2.557 1.00 51.12 C +ATOM 302 C GLY A 39 2.547 25.299 3.814 1.00 48.07 C +ATOM 303 O GLY A 39 3.571 26.007 3.805 1.00 39.80 O +ATOM 304 N GLN A 40 2.135 24.643 4.900 1.00 40.27 N +ATOM 305 CA GLN A 40 2.892 24.715 6.143 1.00 33.18 C +ATOM 306 C GLN A 40 3.754 23.467 6.384 1.00 31.72 C +ATOM 307 O GLN A 40 4.011 22.690 5.450 1.00 26.87 O +ATOM 308 CB GLN A 40 1.994 25.036 7.353 1.00 38.10 C +ATOM 309 CG GLN A 40 1.347 23.843 8.066 1.00 26.98 C +ATOM 310 CD GLN A 40 0.035 23.456 7.456 1.00 31.40 C +ATOM 311 OE1 GLN A 40 -0.738 24.318 7.016 1.00 38.70 O +ATOM 312 NE2 GLN A 40 -0.230 22.156 7.403 1.00 24.54 N +ATOM 313 N TYR A 41 4.132 23.242 7.641 1.00 18.98 N +ATOM 314 CA TYR A 41 5.026 22.164 7.995 1.00 13.24 C +ATOM 315 C TYR A 41 4.497 21.077 8.863 1.00 14.24 C +ATOM 316 O TYR A 41 3.651 21.306 9.713 1.00 24.13 O +ATOM 317 CB TYR A 41 6.254 22.762 8.652 1.00 15.88 C +ATOM 318 CG TYR A 41 6.815 23.875 7.837 1.00 18.57 C +ATOM 319 CD1 TYR A 41 7.033 23.711 6.468 1.00 19.90 C +ATOM 320 CD2 TYR A 41 7.127 25.089 8.418 1.00 22.33 C +ATOM 321 CE1 TYR A 41 7.553 24.728 5.698 1.00 19.17 C +ATOM 322 CE2 TYR A 41 7.655 26.127 7.656 1.00 35.07 C +ATOM 323 CZ TYR A 41 7.868 25.936 6.293 1.00 28.58 C +ATOM 324 OH TYR A 41 8.427 26.945 5.542 1.00 37.50 O +ATOM 325 N VAL A 42 5.151 19.926 8.768 1.00 14.60 N +ATOM 326 CA VAL A 42 4.749 18.752 9.503 1.00 5.68 C +ATOM 327 C VAL A 42 5.897 18.148 10.316 1.00 13.53 C +ATOM 328 O VAL A 42 7.071 18.240 9.943 1.00 16.67 O +ATOM 329 CB VAL A 42 4.198 17.713 8.508 1.00 5.48 C +ATOM 330 CG1 VAL A 42 3.738 16.459 9.227 1.00 25.93 C +ATOM 331 CG2 VAL A 42 3.046 18.312 7.704 1.00 2.00 C +ATOM 332 N LEU A 43 5.539 17.551 11.446 1.00 17.03 N +ATOM 333 CA LEU A 43 6.469 16.884 12.329 1.00 12.87 C +ATOM 334 C LEU A 43 6.124 15.401 12.170 1.00 18.10 C +ATOM 335 O LEU A 43 4.982 14.990 12.390 1.00 19.06 O +ATOM 336 CB LEU A 43 6.205 17.302 13.765 1.00 11.53 C +ATOM 337 CG LEU A 43 7.222 16.988 14.853 1.00 24.74 C +ATOM 338 CD1 LEU A 43 7.484 15.506 14.975 1.00 19.81 C +ATOM 339 CD2 LEU A 43 8.501 17.741 14.540 1.00 30.51 C +ATOM 340 N THR A 44 7.088 14.606 11.736 1.00 14.18 N +ATOM 341 CA THR A 44 6.843 13.194 11.579 1.00 6.40 C +ATOM 342 C THR A 44 7.725 12.499 12.573 1.00 2.52 C +ATOM 343 O THR A 44 8.900 12.821 12.696 1.00 14.08 O +ATOM 344 CB THR A 44 7.182 12.712 10.157 1.00 13.80 C +ATOM 345 OG1 THR A 44 6.335 13.387 9.212 1.00 15.91 O +ATOM 346 CG2 THR A 44 6.987 11.192 10.041 1.00 2.00 C +ATOM 347 N GLY A 45 7.150 11.573 13.317 1.00 6.30 N +ATOM 348 CA GLY A 45 7.933 10.845 14.288 1.00 10.13 C +ATOM 349 C GLY A 45 7.385 9.454 14.522 1.00 8.40 C +ATOM 350 O GLY A 45 6.253 9.151 14.122 1.00 2.00 O +ATOM 351 N LEU A 46 8.204 8.598 15.123 1.00 6.38 N +ATOM 352 CA LEU A 46 7.796 7.242 15.426 1.00 14.75 C +ATOM 353 C LEU A 46 7.555 7.093 16.926 1.00 15.64 C +ATOM 354 O LEU A 46 8.251 7.674 17.741 1.00 17.12 O +ATOM 355 CB LEU A 46 8.840 6.220 14.975 1.00 9.26 C +ATOM 356 CG LEU A 46 8.200 4.835 14.832 1.00 12.46 C +ATOM 357 CD1 LEU A 46 7.390 4.791 13.518 1.00 8.65 C +ATOM 358 CD2 LEU A 46 9.250 3.738 14.854 1.00 2.96 C +ATOM 359 N GLN A 47 6.504 6.367 17.269 1.00 24.74 N +ATOM 360 CA GLN A 47 6.145 6.101 18.641 1.00 23.87 C +ATOM 361 C GLN A 47 5.316 4.840 18.606 1.00 21.63 C +ATOM 362 O GLN A 47 4.294 4.796 17.927 1.00 31.78 O +ATOM 363 CB GLN A 47 5.295 7.223 19.212 1.00 28.57 C +ATOM 364 CG GLN A 47 4.846 6.934 20.637 1.00 38.79 C +ATOM 365 CD GLN A 47 6.020 6.741 21.590 1.00 44.20 C +ATOM 366 OE1 GLN A 47 6.544 5.638 21.747 1.00 39.87 O +ATOM 367 NE2 GLN A 47 6.436 7.822 22.230 1.00 53.57 N +ATOM 368 N SER A 48 5.801 3.796 19.261 1.00 9.83 N +ATOM 369 CA SER A 48 5.097 2.534 19.337 1.00 7.79 C +ATOM 370 C SER A 48 5.156 1.786 18.018 1.00 13.83 C +ATOM 371 O SER A 48 4.423 0.812 17.797 1.00 27.00 O +ATOM 372 CB SER A 48 3.651 2.785 19.771 1.00 20.12 C +ATOM 373 OG SER A 48 3.177 1.758 20.607 1.00 29.02 O +ATOM 374 N GLY A 49 6.068 2.202 17.149 1.00 21.62 N +ATOM 375 CA GLY A 49 6.208 1.528 15.865 1.00 23.03 C +ATOM 376 C GLY A 49 5.206 1.988 14.830 1.00 19.17 C +ATOM 377 O GLY A 49 4.812 1.234 13.936 1.00 17.68 O +ATOM 378 N GLN A 50 4.798 3.241 14.949 1.00 11.38 N +ATOM 379 CA GLN A 50 3.849 3.808 14.024 1.00 16.49 C +ATOM 380 C GLN A 50 3.995 5.311 14.065 1.00 13.38 C +ATOM 381 O GLN A 50 3.852 5.945 15.109 1.00 15.76 O +ATOM 382 CB GLN A 50 2.442 3.377 14.399 1.00 29.44 C +ATOM 383 CG GLN A 50 2.145 3.549 15.845 1.00 31.00 C +ATOM 384 CD GLN A 50 0.849 2.921 16.208 1.00 33.32 C +ATOM 385 OE1 GLN A 50 -0.170 3.598 16.285 1.00 40.24 O +ATOM 386 NE2 GLN A 50 0.864 1.613 16.436 1.00 33.82 N +ATOM 387 N PRO A 51 4.253 5.904 12.904 1.00 13.27 N +ATOM 388 CA PRO A 51 4.436 7.346 12.792 1.00 9.94 C +ATOM 389 C PRO A 51 3.179 8.091 13.138 1.00 6.29 C +ATOM 390 O PRO A 51 2.090 7.555 13.014 1.00 10.00 O +ATOM 391 CB PRO A 51 4.791 7.534 11.308 1.00 4.35 C +ATOM 392 CG PRO A 51 5.224 6.151 10.847 1.00 6.08 C +ATOM 393 CD PRO A 51 4.250 5.271 11.577 1.00 6.78 C +ATOM 394 N LYS A 52 3.359 9.350 13.517 1.00 9.27 N +ATOM 395 CA LYS A 52 2.294 10.290 13.862 1.00 7.46 C +ATOM 396 C LYS A 52 2.618 11.474 12.933 1.00 8.85 C +ATOM 397 O LYS A 52 3.760 11.608 12.495 1.00 12.58 O +ATOM 398 CB LYS A 52 2.458 10.720 15.322 1.00 11.24 C +ATOM 399 CG LYS A 52 2.906 9.587 16.284 1.00 23.95 C +ATOM 400 CD LYS A 52 1.805 8.548 16.555 1.00 36.60 C +ATOM 401 CE LYS A 52 2.169 7.591 17.710 1.00 44.44 C +ATOM 402 NZ LYS A 52 1.155 6.490 17.962 1.00 33.89 N +ATOM 403 N HIS A 53 1.672 12.332 12.594 1.00 4.41 N +ATOM 404 CA HIS A 53 2.055 13.414 11.696 1.00 2.00 C +ATOM 405 C HIS A 53 1.449 14.720 12.140 1.00 5.63 C +ATOM 406 O HIS A 53 0.344 15.054 11.738 1.00 14.26 O +ATOM 407 CB HIS A 53 1.673 13.096 10.231 1.00 5.58 C +ATOM 408 CG HIS A 53 2.530 12.040 9.576 1.00 12.54 C +ATOM 409 ND1 HIS A 53 3.758 12.311 9.004 1.00 15.60 N +ATOM 410 CD2 HIS A 53 2.324 10.712 9.395 1.00 12.93 C +ATOM 411 CE1 HIS A 53 4.269 11.198 8.505 1.00 6.59 C +ATOM 412 NE2 HIS A 53 3.419 10.214 8.730 1.00 14.84 N +ATOM 413 N LEU A 54 2.206 15.462 12.948 1.00 7.80 N +ATOM 414 CA LEU A 54 1.780 16.742 13.530 1.00 11.23 C +ATOM 415 C LEU A 54 1.939 17.968 12.661 1.00 9.87 C +ATOM 416 O LEU A 54 2.907 18.095 11.934 1.00 18.58 O +ATOM 417 CB LEU A 54 2.508 17.000 14.860 1.00 21.21 C +ATOM 418 CG LEU A 54 2.115 16.340 16.193 1.00 21.00 C +ATOM 419 CD1 LEU A 54 1.303 17.319 17.036 1.00 28.54 C +ATOM 420 CD2 LEU A 54 1.373 15.026 15.997 1.00 15.29 C +ATOM 421 N LEU A 55 1.007 18.902 12.785 1.00 15.38 N +ATOM 422 CA LEU A 55 1.057 20.127 12.002 1.00 18.52 C +ATOM 423 C LEU A 55 1.711 21.230 12.827 1.00 23.17 C +ATOM 424 O LEU A 55 1.680 21.181 14.057 1.00 28.16 O +ATOM 425 CB LEU A 55 -0.352 20.545 11.611 1.00 21.22 C +ATOM 426 CG LEU A 55 -0.498 20.862 10.140 1.00 16.01 C +ATOM 427 CD1 LEU A 55 -0.070 19.659 9.306 1.00 24.09 C +ATOM 428 CD2 LEU A 55 -1.927 21.218 9.879 1.00 20.42 C +ATOM 429 N LEU A 56 2.277 22.225 12.145 1.00 17.83 N +ATOM 430 CA LEU A 56 2.956 23.344 12.790 1.00 19.01 C +ATOM 431 C LEU A 56 2.509 24.672 12.137 1.00 25.50 C +ATOM 432 O LEU A 56 2.885 24.993 11.004 1.00 26.06 O +ATOM 433 CB LEU A 56 4.486 23.144 12.676 1.00 14.35 C +ATOM 434 CG LEU A 56 4.966 21.739 13.095 1.00 21.24 C +ATOM 435 CD1 LEU A 56 6.449 21.519 12.908 1.00 3.63 C +ATOM 436 CD2 LEU A 56 4.582 21.481 14.547 1.00 18.60 C +ATOM 437 N VAL A 57 1.674 25.431 12.834 1.00 35.26 N +ATOM 438 CA VAL A 57 1.177 26.702 12.292 1.00 38.04 C +ATOM 439 C VAL A 57 1.469 27.972 13.172 1.00 46.02 C +ATOM 440 O VAL A 57 1.453 27.944 14.421 1.00 26.72 O +ATOM 441 CB VAL A 57 -0.334 26.571 11.913 1.00 18.42 C +ATOM 442 CG1 VAL A 57 -0.786 27.714 11.017 1.00 16.45 C +ATOM 443 CG2 VAL A 57 -0.566 25.260 11.211 1.00 10.34 C +ATOM 444 N ASP A 58 1.828 29.060 12.491 1.00 51.76 N +ATOM 445 CA ASP A 58 2.146 30.334 13.125 1.00 52.69 C +ATOM 446 C ASP A 58 0.917 30.908 13.808 1.00 56.73 C +ATOM 447 O ASP A 58 0.028 31.447 13.161 1.00 61.48 O +ATOM 448 CB ASP A 58 2.658 31.314 12.075 1.00 44.71 C +ATOM 449 CG ASP A 58 1.598 31.682 11.059 1.00 46.85 C +ATOM 450 OD1 ASP A 58 0.668 30.876 10.837 1.00 45.66 O +ATOM 451 OD2 ASP A 58 1.669 32.795 10.502 1.00 55.46 O +ATOM 452 N PRO A 59 0.853 30.809 15.132 1.00 58.52 N +ATOM 453 CA PRO A 59 -0.296 31.334 15.867 1.00 59.45 C +ATOM 454 C PRO A 59 -0.345 32.837 15.681 1.00 64.73 C +ATOM 455 O PRO A 59 -1.417 33.430 15.575 1.00 68.34 O +ATOM 456 CB PRO A 59 0.046 30.970 17.300 1.00 67.01 C +ATOM 457 CG PRO A 59 1.539 31.068 17.312 1.00 70.41 C +ATOM 458 CD PRO A 59 1.907 30.363 16.049 1.00 62.16 C +ATOM 459 N GLU A 60 0.845 33.428 15.654 1.00 66.49 N +ATOM 460 CA GLU A 60 1.019 34.855 15.468 1.00 66.61 C +ATOM 461 C GLU A 60 2.415 34.976 14.889 1.00 66.02 C +ATOM 462 O GLU A 60 3.348 35.402 15.579 1.00 61.73 O +ATOM 463 N GLY A 61 2.566 34.494 13.654 1.00 61.38 N +ATOM 464 CA GLY A 61 3.849 34.514 12.976 1.00 55.49 C +ATOM 465 C GLY A 61 4.884 33.575 13.584 1.00 55.91 C +ATOM 466 O GLY A 61 6.034 33.571 13.135 1.00 59.17 O +ATOM 467 N VAL A 62 4.483 32.780 14.585 1.00 46.70 N +ATOM 468 CA VAL A 62 5.403 31.862 15.245 1.00 24.78 C +ATOM 469 C VAL A 62 5.262 30.442 14.755 1.00 29.69 C +ATOM 470 O VAL A 62 5.701 30.125 13.650 1.00 38.02 O +ATOM 471 N VAL A 63 4.645 29.597 15.580 1.00 23.80 N +ATOM 472 CA VAL A 63 4.373 28.184 15.294 1.00 20.44 C +ATOM 473 C VAL A 63 3.868 27.636 16.618 1.00 21.58 C +ATOM 474 O VAL A 63 4.593 27.676 17.605 1.00 24.42 O +ATOM 475 CB VAL A 63 5.622 27.441 14.862 1.00 14.98 C +ATOM 476 CG1 VAL A 63 5.567 25.997 15.346 1.00 32.52 C +ATOM 477 CG2 VAL A 63 5.713 27.449 13.358 1.00 20.72 C +ATOM 478 N ARG A 64 2.646 27.109 16.643 1.00 27.54 N +ATOM 479 CA ARG A 64 2.035 26.639 17.894 1.00 22.67 C +ATOM 480 C ARG A 64 1.690 25.160 18.078 1.00 24.82 C +ATOM 481 O ARG A 64 1.804 24.343 17.155 1.00 28.21 O +ATOM 482 CB ARG A 64 0.770 27.438 18.154 1.00 29.24 C +ATOM 483 CG ARG A 64 -0.309 27.313 17.053 1.00 23.28 C +ATOM 484 CD ARG A 64 -1.713 27.564 17.620 1.00 22.39 C +ATOM 485 NE ARG A 64 -1.636 28.357 18.846 1.00 23.47 N +ATOM 486 CZ ARG A 64 -2.245 29.519 19.052 1.00 22.35 C +ATOM 487 NH1 ARG A 64 -3.022 30.055 18.118 1.00 25.02 N +ATOM 488 NH2 ARG A 64 -2.003 30.191 20.175 1.00 32.34 N +ATOM 489 N THR A 65 1.183 24.859 19.271 1.00 19.16 N +ATOM 490 CA THR A 65 0.779 23.511 19.678 1.00 24.52 C +ATOM 491 C THR A 65 -0.601 23.510 20.345 1.00 29.02 C +ATOM 492 O THR A 65 -1.347 24.495 20.282 1.00 33.02 O +ATOM 493 CB THR A 65 1.756 22.923 20.728 1.00 29.65 C +ATOM 494 OG1 THR A 65 2.510 23.991 21.334 1.00 29.97 O +ATOM 495 CG2 THR A 65 2.661 21.813 20.115 1.00 17.48 C +ATOM 496 N LYS A 66 -0.884 22.421 21.057 1.00 33.09 N +ATOM 497 CA LYS A 66 -2.139 22.243 21.772 1.00 35.98 C +ATOM 498 C LYS A 66 -2.212 23.077 23.061 1.00 38.45 C +ATOM 499 O LYS A 66 -3.198 22.986 23.798 1.00 34.46 O +ATOM 500 CB LYS A 66 -2.310 20.760 22.117 1.00 38.31 C +ATOM 501 CG LYS A 66 -3.758 20.280 22.126 1.00 46.65 C +ATOM 502 CD LYS A 66 -3.893 18.850 22.636 1.00 49.13 C +ATOM 503 CE LYS A 66 -5.309 18.332 22.419 1.00 52.71 C +ATOM 504 NZ LYS A 66 -5.468 16.941 22.917 1.00 57.10 N +ATOM 505 N ASP A 67 -1.174 23.874 23.334 1.00 43.57 N +ATOM 506 CA ASP A 67 -1.112 24.707 24.546 1.00 42.63 C +ATOM 507 C ASP A 67 0.008 25.782 24.553 1.00 43.94 C +ATOM 508 O ASP A 67 0.223 26.452 25.589 1.00 31.79 O +ATOM 509 CB ASP A 67 -0.952 23.803 25.773 1.00 31.32 C +ATOM 510 N HIS A 68 0.653 26.013 23.400 1.00 39.72 N +ATOM 511 CA HIS A 68 1.766 26.954 23.343 1.00 29.74 C +ATOM 512 C HIS A 68 2.066 27.524 21.991 1.00 26.54 C +ATOM 513 O HIS A 68 1.930 26.840 20.985 1.00 31.11 O +ATOM 514 CB HIS A 68 3.030 26.240 23.797 1.00 36.74 C +ATOM 515 CG HIS A 68 3.791 26.977 24.843 1.00 41.12 C +ATOM 516 ND1 HIS A 68 3.758 26.619 26.173 1.00 40.48 N +ATOM 517 CD2 HIS A 68 4.596 28.064 24.760 1.00 47.50 C +ATOM 518 CE1 HIS A 68 4.512 27.454 26.866 1.00 54.06 C +ATOM 519 NE2 HIS A 68 5.032 28.340 26.033 1.00 52.32 N +ATOM 520 N ARG A 69 2.520 28.773 21.983 1.00 33.96 N +ATOM 521 CA ARG A 69 2.926 29.453 20.745 1.00 41.24 C +ATOM 522 C ARG A 69 4.408 29.863 20.820 1.00 41.46 C +ATOM 523 O ARG A 69 4.853 30.503 21.787 1.00 41.04 O +ATOM 524 CB ARG A 69 2.042 30.657 20.418 1.00 34.43 C +ATOM 525 CG ARG A 69 1.319 31.269 21.589 1.00 36.92 C +ATOM 526 CD ARG A 69 0.242 32.194 21.081 1.00 30.83 C +ATOM 527 NE ARG A 69 0.802 33.182 20.172 1.00 16.49 N +ATOM 528 CZ ARG A 69 0.071 33.932 19.366 1.00 21.66 C +ATOM 529 NH1 ARG A 69 -1.250 33.790 19.351 1.00 10.29 N +ATOM 530 NH2 ARG A 69 0.661 34.855 18.620 1.00 21.26 N +ATOM 531 N PHE A 70 5.161 29.434 19.810 1.00 36.02 N +ATOM 532 CA PHE A 70 6.599 29.663 19.704 1.00 35.81 C +ATOM 533 C PHE A 70 6.931 30.743 18.668 1.00 32.08 C +ATOM 534 O PHE A 70 6.023 31.417 18.185 1.00 29.53 O +ATOM 535 CB PHE A 70 7.282 28.308 19.390 1.00 31.17 C +ATOM 536 CG PHE A 70 6.981 27.240 20.423 1.00 19.08 C +ATOM 537 CD1 PHE A 70 7.561 27.292 21.684 1.00 16.29 C +ATOM 538 CD2 PHE A 70 6.027 26.274 20.185 1.00 15.75 C +ATOM 539 CE1 PHE A 70 7.186 26.415 22.685 1.00 8.92 C +ATOM 540 CE2 PHE A 70 5.650 25.392 21.196 1.00 16.35 C +ATOM 541 CZ PHE A 70 6.230 25.470 22.442 1.00 6.05 C +ATOM 542 N GLU A 71 8.219 30.976 18.408 1.00 25.64 N +ATOM 543 CA GLU A 71 8.624 31.971 17.417 1.00 26.75 C +ATOM 544 C GLU A 71 8.741 31.287 16.057 1.00 31.24 C +ATOM 545 O GLU A 71 8.456 31.889 15.021 1.00 29.72 O +ATOM 546 CB GLU A 71 9.976 32.585 17.760 1.00 33.80 C +ATOM 547 CG GLU A 71 10.157 33.010 19.196 1.00 39.85 C +ATOM 548 CD GLU A 71 11.483 32.535 19.762 1.00 41.30 C +ATOM 549 OE1 GLU A 71 12.152 31.704 19.105 1.00 41.20 O +ATOM 550 OE2 GLU A 71 11.846 32.958 20.879 1.00 40.85 O +ATOM 551 N SER A 72 9.204 30.036 16.069 1.00 31.00 N +ATOM 552 CA SER A 72 9.360 29.249 14.849 1.00 22.50 C +ATOM 553 C SER A 72 9.394 27.765 15.167 1.00 21.79 C +ATOM 554 O SER A 72 9.157 27.345 16.317 1.00 21.88 O +ATOM 555 CB SER A 72 10.626 29.651 14.088 1.00 28.71 C +ATOM 556 OG SER A 72 10.788 28.893 12.895 1.00 26.17 O +ATOM 557 N VAL A 73 9.640 26.979 14.122 1.00 15.97 N +ATOM 558 CA VAL A 73 9.725 25.529 14.207 1.00 14.12 C +ATOM 559 C VAL A 73 10.946 25.196 15.065 1.00 19.17 C +ATOM 560 O VAL A 73 10.905 24.303 15.921 1.00 17.24 O +ATOM 561 CB VAL A 73 9.892 24.907 12.794 1.00 6.81 C +ATOM 562 CG1 VAL A 73 10.010 23.427 12.882 1.00 2.89 C +ATOM 563 CG2 VAL A 73 8.728 25.274 11.894 1.00 2.00 C +ATOM 564 N SER A 74 12.020 25.954 14.852 1.00 21.61 N +ATOM 565 CA SER A 74 13.258 25.753 15.596 1.00 21.90 C +ATOM 566 C SER A 74 13.011 25.898 17.091 1.00 16.25 C +ATOM 567 O SER A 74 13.450 25.033 17.861 1.00 17.12 O +ATOM 568 CB SER A 74 14.349 26.714 15.107 1.00 30.59 C +ATOM 569 OG SER A 74 14.581 26.555 13.709 1.00 35.37 O +ATOM 570 N HIS A 75 12.279 26.947 17.492 1.00 5.40 N +ATOM 571 CA HIS A 75 11.952 27.157 18.902 1.00 5.28 C +ATOM 572 C HIS A 75 11.081 26.021 19.445 1.00 7.37 C +ATOM 573 O HIS A 75 11.229 25.603 20.609 1.00 15.37 O +ATOM 574 CB HIS A 75 11.233 28.490 19.123 1.00 17.40 C +ATOM 575 CG HIS A 75 10.960 28.808 20.571 1.00 32.54 C +ATOM 576 ND1 HIS A 75 11.118 27.893 21.596 1.00 33.95 N +ATOM 577 CD2 HIS A 75 10.586 29.967 21.168 1.00 35.36 C +ATOM 578 CE1 HIS A 75 10.863 28.475 22.755 1.00 36.09 C +ATOM 579 NE2 HIS A 75 10.539 29.735 22.523 1.00 36.55 N +ATOM 580 N LEU A 76 10.159 25.535 18.625 1.00 7.90 N +ATOM 581 CA LEU A 76 9.284 24.447 19.064 1.00 14.22 C +ATOM 582 C LEU A 76 10.122 23.206 19.383 1.00 21.24 C +ATOM 583 O LEU A 76 9.989 22.618 20.463 1.00 25.67 O +ATOM 584 CB LEU A 76 8.195 24.144 18.010 1.00 12.84 C +ATOM 585 CG LEU A 76 7.332 22.885 18.168 1.00 8.95 C +ATOM 586 CD1 LEU A 76 6.485 22.957 19.396 1.00 17.85 C +ATOM 587 CD2 LEU A 76 6.450 22.726 16.989 1.00 20.61 C +ATOM 588 N ILE A 77 11.025 22.843 18.475 1.00 27.84 N +ATOM 589 CA ILE A 77 11.868 21.672 18.678 1.00 18.78 C +ATOM 590 C ILE A 77 12.661 21.677 19.992 1.00 21.88 C +ATOM 591 O ILE A 77 12.564 20.717 20.749 1.00 32.84 O +ATOM 592 CB ILE A 77 12.832 21.438 17.507 1.00 9.96 C +ATOM 593 CG1 ILE A 77 12.056 21.278 16.199 1.00 6.41 C +ATOM 594 CG2 ILE A 77 13.619 20.163 17.753 1.00 11.74 C +ATOM 595 CD1 ILE A 77 11.518 19.869 15.984 1.00 3.26 C +ATOM 596 N SER A 78 13.415 22.738 20.293 1.00 20.65 N +ATOM 597 CA SER A 78 14.207 22.747 21.534 1.00 17.39 C +ATOM 598 C SER A 78 13.360 22.716 22.802 1.00 20.28 C +ATOM 599 O SER A 78 13.701 22.019 23.746 1.00 17.12 O +ATOM 600 CB SER A 78 15.191 23.921 21.578 1.00 20.39 C +ATOM 601 OG SER A 78 14.533 25.176 21.586 1.00 23.99 O +ATOM 602 N TYR A 79 12.229 23.415 22.813 1.00 16.00 N +ATOM 603 CA TYR A 79 11.380 23.407 23.996 1.00 11.84 C +ATOM 604 C TYR A 79 11.051 21.980 24.403 1.00 14.27 C +ATOM 605 O TYR A 79 11.187 21.611 25.568 1.00 9.48 O +ATOM 606 CB TYR A 79 10.087 24.162 23.731 1.00 9.42 C +ATOM 607 CG TYR A 79 9.145 24.246 24.918 1.00 7.52 C +ATOM 608 CD1 TYR A 79 8.250 23.218 25.206 1.00 8.48 C +ATOM 609 CD2 TYR A 79 9.074 25.405 25.693 1.00 9.66 C +ATOM 610 CE1 TYR A 79 7.295 23.341 26.232 1.00 2.00 C +ATOM 611 CE2 TYR A 79 8.134 25.543 26.702 1.00 9.23 C +ATOM 612 CZ TYR A 79 7.241 24.507 26.971 1.00 12.67 C +ATOM 613 OH TYR A 79 6.291 24.663 27.980 1.00 19.25 O +ATOM 614 N HIS A 80 10.648 21.170 23.430 1.00 17.51 N +ATOM 615 CA HIS A 80 10.272 19.785 23.701 1.00 21.74 C +ATOM 616 C HIS A 80 11.472 18.875 23.817 1.00 24.61 C +ATOM 617 O HIS A 80 11.599 18.104 24.767 1.00 27.26 O +ATOM 618 CB HIS A 80 9.321 19.262 22.619 1.00 23.32 C +ATOM 619 CG HIS A 80 7.952 19.861 22.687 1.00 14.75 C +ATOM 620 ND1 HIS A 80 7.599 20.989 21.981 1.00 14.76 N +ATOM 621 CD2 HIS A 80 6.872 19.532 23.429 1.00 18.76 C +ATOM 622 CE1 HIS A 80 6.364 21.336 22.293 1.00 14.99 C +ATOM 623 NE2 HIS A 80 5.901 20.468 23.170 1.00 16.83 N +ATOM 624 N MET A 81 12.360 18.975 22.843 1.00 25.79 N +ATOM 625 CA MET A 81 13.553 18.159 22.826 1.00 20.81 C +ATOM 626 C MET A 81 14.424 18.382 24.045 1.00 17.08 C +ATOM 627 O MET A 81 14.476 17.536 24.925 1.00 18.67 O +ATOM 628 CB MET A 81 14.340 18.428 21.556 1.00 17.33 C +ATOM 629 CG MET A 81 15.699 17.798 21.541 1.00 21.51 C +ATOM 630 SD MET A 81 16.233 17.361 19.879 1.00 26.56 S +ATOM 631 CE MET A 81 16.967 15.715 20.320 1.00 19.82 C +ATOM 632 N ASP A 82 15.044 19.553 24.131 1.00 22.85 N +ATOM 633 CA ASP A 82 15.953 19.867 25.233 1.00 16.61 C +ATOM 634 C ASP A 82 15.299 19.580 26.540 1.00 14.80 C +ATOM 635 O ASP A 82 15.790 18.765 27.324 1.00 24.44 O +ATOM 636 CB ASP A 82 16.382 21.349 25.248 1.00 19.35 C +ATOM 637 CG ASP A 82 17.082 21.805 23.962 1.00 20.28 C +ATOM 638 OD1 ASP A 82 17.171 21.029 22.982 1.00 22.79 O +ATOM 639 OD2 ASP A 82 17.522 22.977 23.939 1.00 23.31 O +ATOM 640 N ASN A 83 14.160 20.227 26.742 1.00 15.34 N +ATOM 641 CA ASN A 83 13.412 20.111 27.979 1.00 12.16 C +ATOM 642 C ASN A 83 12.827 18.767 28.240 1.00 10.37 C +ATOM 643 O ASN A 83 12.496 18.473 29.385 1.00 23.52 O +ATOM 644 CB ASN A 83 12.304 21.127 28.022 1.00 13.40 C +ATOM 645 CG ASN A 83 12.807 22.494 28.162 1.00 3.96 C +ATOM 646 OD1 ASN A 83 13.173 22.909 29.246 1.00 18.88 O +ATOM 647 ND2 ASN A 83 12.848 23.221 27.068 1.00 14.98 N +ATOM 648 N HIS A 84 12.615 18.002 27.174 1.00 12.89 N +ATOM 649 CA HIS A 84 12.068 16.630 27.230 1.00 23.10 C +ATOM 650 C HIS A 84 10.576 16.442 27.544 1.00 16.56 C +ATOM 651 O HIS A 84 10.215 15.455 28.187 1.00 10.16 O +ATOM 652 CB HIS A 84 12.891 15.728 28.170 1.00 30.07 C +ATOM 653 CG HIS A 84 14.335 15.599 27.788 1.00 43.83 C +ATOM 654 ND1 HIS A 84 15.326 16.384 28.341 1.00 47.85 N +ATOM 655 CD2 HIS A 84 14.955 14.775 26.913 1.00 43.49 C +ATOM 656 CE1 HIS A 84 16.493 16.048 27.825 1.00 42.61 C +ATOM 657 NE2 HIS A 84 16.295 15.074 26.954 1.00 53.99 N +ATOM 658 N LEU A 85 9.726 17.372 27.098 1.00 13.59 N +ATOM 659 CA LEU A 85 8.275 17.285 27.302 1.00 4.42 C +ATOM 660 C LEU A 85 7.700 16.716 26.015 1.00 10.07 C +ATOM 661 O LEU A 85 7.929 17.270 24.941 1.00 10.79 O +ATOM 662 CB LEU A 85 7.685 18.660 27.501 1.00 2.00 C +ATOM 663 CG LEU A 85 8.285 19.442 28.650 1.00 11.85 C +ATOM 664 CD1 LEU A 85 8.041 20.945 28.446 1.00 10.31 C +ATOM 665 CD2 LEU A 85 7.695 18.934 29.935 1.00 2.17 C +ATOM 666 N PRO A 86 6.906 15.638 26.107 1.00 12.40 N +ATOM 667 CA PRO A 86 6.307 15.015 24.925 1.00 12.51 C +ATOM 668 C PRO A 86 5.185 15.848 24.371 1.00 11.97 C +ATOM 669 O PRO A 86 4.370 16.356 25.120 1.00 27.17 O +ATOM 670 CB PRO A 86 5.747 13.714 25.483 1.00 20.45 C +ATOM 671 CG PRO A 86 5.287 14.099 26.838 1.00 17.87 C +ATOM 672 CD PRO A 86 6.430 14.983 27.343 1.00 19.21 C +ATOM 673 N ILE A 87 5.150 16.034 23.062 1.00 24.33 N +ATOM 674 CA ILE A 87 4.056 16.784 22.455 1.00 19.56 C +ATOM 675 C ILE A 87 2.852 15.843 22.635 1.00 22.37 C +ATOM 676 O ILE A 87 2.916 14.656 22.289 1.00 17.25 O +ATOM 677 CB ILE A 87 4.308 17.031 20.931 1.00 19.63 C +ATOM 678 CG1 ILE A 87 5.615 17.805 20.738 1.00 10.66 C +ATOM 679 CG2 ILE A 87 3.124 17.798 20.268 1.00 14.05 C +ATOM 680 CD1 ILE A 87 5.971 18.000 19.299 1.00 2.00 C +ATOM 681 N ILE A 88 1.831 16.318 23.333 1.00 20.42 N +ATOM 682 CA ILE A 88 0.637 15.517 23.501 1.00 24.10 C +ATOM 683 C ILE A 88 -0.474 16.114 22.636 1.00 29.28 C +ATOM 684 O ILE A 88 -0.732 17.314 22.691 1.00 27.55 O +ATOM 685 CB ILE A 88 0.223 15.415 24.973 1.00 26.53 C +ATOM 686 CG1 ILE A 88 1.310 14.656 25.742 1.00 20.80 C +ATOM 687 CG2 ILE A 88 -1.093 14.668 25.095 1.00 13.76 C +ATOM 688 CD1 ILE A 88 1.428 15.072 27.178 1.00 30.87 C +ATOM 689 N SER A 89 -1.010 15.292 21.737 1.00 35.21 N +ATOM 690 CA SER A 89 -2.095 15.680 20.848 1.00 37.46 C +ATOM 691 C SER A 89 -3.113 14.538 20.808 1.00 41.20 C +ATOM 692 O SER A 89 -2.771 13.416 20.417 1.00 40.80 O +ATOM 693 CB SER A 89 -1.572 15.983 19.439 1.00 39.97 C +ATOM 694 OG SER A 89 -1.321 17.375 19.247 1.00 31.74 O +ATOM 695 N ALA A 90 -4.336 14.828 21.267 1.00 39.37 N +ATOM 696 CA ALA A 90 -5.455 13.872 21.311 1.00 36.84 C +ATOM 697 C ALA A 90 -5.249 12.619 22.212 1.00 38.67 C +ATOM 698 O ALA A 90 -5.721 11.505 21.893 1.00 35.41 O +ATOM 699 CB ALA A 90 -5.861 13.470 19.888 1.00 22.35 C +ATOM 700 N GLY A 91 -4.580 12.818 23.351 1.00 28.62 N +ATOM 701 CA GLY A 91 -4.322 11.728 24.280 1.00 24.18 C +ATOM 702 C GLY A 91 -3.079 10.947 23.901 1.00 29.28 C +ATOM 703 O GLY A 91 -2.591 10.115 24.670 1.00 25.85 O +ATOM 704 N SER A 92 -2.622 11.173 22.672 1.00 30.95 N +ATOM 705 CA SER A 92 -1.432 10.543 22.122 1.00 33.06 C +ATOM 706 C SER A 92 -0.291 11.522 22.380 1.00 29.49 C +ATOM 707 O SER A 92 -0.507 12.731 22.395 1.00 31.48 O +ATOM 708 CB SER A 92 -1.607 10.319 20.607 1.00 36.30 C +ATOM 709 OG SER A 92 -0.569 9.510 20.059 1.00 30.43 O +ATOM 710 N GLU A 93 0.915 11.003 22.581 1.00 32.44 N +ATOM 711 CA GLU A 93 2.083 11.841 22.848 1.00 34.40 C +ATOM 712 C GLU A 93 3.304 11.373 22.064 1.00 31.20 C +ATOM 713 O GLU A 93 3.623 10.178 22.031 1.00 21.72 O +ATOM 714 CB GLU A 93 2.390 11.875 24.343 1.00 34.49 C +ATOM 715 CG GLU A 93 2.198 10.540 25.042 1.00 43.28 C +ATOM 716 CD GLU A 93 3.454 10.056 25.716 1.00 48.10 C +ATOM 717 OE1 GLU A 93 3.757 10.532 26.841 1.00 39.97 O +ATOM 718 OE2 GLU A 93 4.135 9.194 25.111 1.00 55.39 O +ATOM 719 N LEU A 94 3.972 12.326 21.425 1.00 22.99 N +ATOM 720 CA LEU A 94 5.137 12.036 20.624 1.00 19.75 C +ATOM 721 C LEU A 94 6.392 12.687 21.190 1.00 18.69 C +ATOM 722 O LEU A 94 6.525 13.912 21.237 1.00 13.70 O +ATOM 723 CB LEU A 94 4.848 12.408 19.163 1.00 16.09 C +ATOM 724 CG LEU A 94 5.786 13.034 18.127 1.00 14.41 C +ATOM 725 CD1 LEU A 94 7.040 12.233 17.988 1.00 29.32 C +ATOM 726 CD2 LEU A 94 5.083 13.076 16.788 1.00 8.12 C +ATOM 727 N CYS A 95 7.285 11.823 21.669 1.00 30.07 N +ATOM 728 CA CYS A 95 8.572 12.206 22.261 1.00 34.70 C +ATOM 729 C CYS A 95 9.678 12.534 21.250 1.00 27.61 C +ATOM 730 O CYS A 95 10.153 11.662 20.531 1.00 28.45 O +ATOM 731 CB CYS A 95 9.094 11.094 23.191 1.00 35.48 C +ATOM 732 SG CYS A 95 8.461 11.081 24.903 1.00 39.13 S +ATOM 733 N LEU A 96 10.069 13.798 21.185 1.00 22.67 N +ATOM 734 CA LEU A 96 11.149 14.190 20.311 1.00 24.05 C +ATOM 735 C LEU A 96 12.410 13.785 21.054 1.00 19.47 C +ATOM 736 O LEU A 96 12.699 14.325 22.111 1.00 25.20 O +ATOM 737 CB LEU A 96 11.133 15.690 20.099 1.00 22.12 C +ATOM 738 CG LEU A 96 9.908 16.164 19.352 1.00 20.04 C +ATOM 739 CD1 LEU A 96 10.177 17.560 18.810 1.00 18.22 C +ATOM 740 CD2 LEU A 96 9.637 15.195 18.212 1.00 22.66 C +ATOM 741 N GLN A 97 13.129 12.796 20.543 1.00 21.01 N +ATOM 742 CA GLN A 97 14.334 12.332 21.221 1.00 21.54 C +ATOM 743 C GLN A 97 15.589 12.335 20.360 1.00 18.94 C +ATOM 744 O GLN A 97 16.647 12.729 20.840 1.00 17.83 O +ATOM 745 CB GLN A 97 14.100 10.942 21.845 1.00 21.98 C +ATOM 746 CG GLN A 97 12.792 10.858 22.626 1.00 18.44 C +ATOM 747 CD GLN A 97 12.727 9.690 23.560 1.00 22.83 C +ATOM 748 OE1 GLN A 97 12.773 8.544 23.124 1.00 28.05 O +ATOM 749 NE2 GLN A 97 12.606 9.965 24.865 1.00 14.39 N +ATOM 750 N GLN A 98 15.467 11.950 19.088 1.00 17.36 N +ATOM 751 CA GLN A 98 16.619 11.912 18.191 1.00 19.30 C +ATOM 752 C GLN A 98 16.285 12.425 16.795 1.00 13.31 C +ATOM 753 O GLN A 98 15.458 11.849 16.117 1.00 20.61 O +ATOM 754 CB GLN A 98 17.155 10.477 18.120 1.00 22.21 C +ATOM 755 CG GLN A 98 16.068 9.418 17.994 1.00 16.69 C +ATOM 756 CD GLN A 98 16.194 8.315 19.035 1.00 27.53 C +ATOM 757 OE1 GLN A 98 16.743 8.519 20.137 1.00 24.73 O +ATOM 758 NE2 GLN A 98 15.660 7.140 18.706 1.00 23.42 N +ATOM 759 N PRO A 99 16.913 13.524 16.352 1.00 10.41 N +ATOM 760 CA PRO A 99 16.600 14.032 15.009 1.00 6.64 C +ATOM 761 C PRO A 99 17.171 13.150 13.946 1.00 8.34 C +ATOM 762 O PRO A 99 18.327 12.752 14.040 1.00 25.75 O +ATOM 763 CB PRO A 99 17.321 15.375 14.947 1.00 3.90 C +ATOM 764 CG PRO A 99 17.516 15.746 16.387 1.00 25.16 C +ATOM 765 CD PRO A 99 17.827 14.432 17.058 1.00 17.86 C +ATOM 766 N VAL A 100 16.371 12.821 12.946 1.00 7.01 N +ATOM 767 CA VAL A 100 16.852 12.037 11.835 1.00 3.12 C +ATOM 768 C VAL A 100 17.426 13.076 10.881 1.00 6.94 C +ATOM 769 O VAL A 100 16.725 13.659 10.051 1.00 11.33 O +ATOM 770 CB VAL A 100 15.728 11.236 11.205 1.00 14.78 C +ATOM 771 CG1 VAL A 100 16.228 10.494 9.940 1.00 8.31 C +ATOM 772 CG2 VAL A 100 15.178 10.249 12.265 1.00 13.77 C +ATOM 773 N GLU A 101 18.715 13.329 11.076 1.00 14.83 N +ATOM 774 CA GLU A 101 19.497 14.307 10.335 1.00 11.54 C +ATOM 775 C GLU A 101 19.591 14.006 8.853 1.00 12.01 C +ATOM 776 O GLU A 101 19.760 12.855 8.445 1.00 8.07 O +ATOM 777 CB GLU A 101 20.944 14.338 10.856 1.00 20.72 C +ATOM 778 CG GLU A 101 21.160 14.211 12.358 1.00 14.69 C +ATOM 779 CD GLU A 101 20.906 15.505 13.100 1.00 18.52 C +ATOM 780 OE1 GLU A 101 20.470 16.490 12.479 1.00 21.68 O +ATOM 781 OE2 GLU A 101 21.144 15.540 14.319 1.00 30.97 O +ATOM 782 N ARG A 102 19.606 15.080 8.078 1.00 4.89 N +ATOM 783 CA ARG A 102 19.758 15.050 6.638 1.00 8.64 C +ATOM 784 C ARG A 102 21.148 14.423 6.360 1.00 17.14 C +ATOM 785 O ARG A 102 22.104 14.671 7.105 1.00 25.47 O +ATOM 786 CB ARG A 102 19.710 16.501 6.167 1.00 10.54 C +ATOM 787 CG ARG A 102 19.190 16.729 4.772 1.00 21.06 C +ATOM 788 CD ARG A 102 18.839 18.195 4.604 1.00 11.98 C +ATOM 789 NE ARG A 102 19.871 19.068 5.156 1.00 27.55 N +ATOM 790 CZ ARG A 102 19.708 20.372 5.380 1.00 38.80 C +ATOM 791 NH1 ARG A 102 18.552 20.972 5.085 1.00 37.97 N +ATOM 792 NH2 ARG A 102 20.678 21.073 5.957 1.00 36.12 N +ATOM 793 N LYS A 103 21.278 13.610 5.314 1.00 22.52 N +ATOM 794 CA LYS A 103 22.563 12.965 5.022 1.00 21.05 C +ATOM 795 C LYS A 103 23.564 13.854 4.298 1.00 19.87 C +ATOM 796 O LYS A 103 23.364 14.166 3.140 1.00 27.18 O +ATOM 797 CB LYS A 103 22.328 11.680 4.241 1.00 13.19 C +ATOM 798 CG LYS A 103 22.388 10.407 5.100 1.00 28.40 C +ATOM 799 CD LYS A 103 22.017 9.174 4.263 1.00 32.92 C +ATOM 800 CE LYS A 103 22.927 7.959 4.520 1.00 31.62 C +ATOM 801 NZ LYS A 103 22.613 6.813 3.588 1.00 32.00 N +ATOM 802 N LEU A 104 24.619 14.288 4.984 1.00 23.61 N +ATOM 803 CA LEU A 104 25.631 15.152 4.365 1.00 27.67 C +ATOM 804 C LEU A 104 26.971 15.204 5.122 1.00 30.03 C +ATOM 805 O LEU A 104 28.008 15.504 4.485 1.00 30.02 O +ATOM 806 CB LEU A 104 25.089 16.578 4.156 1.00 28.54 C +ATOM 807 CG LEU A 104 25.167 17.624 5.275 1.00 38.12 C +ATOM 808 CD1 LEU A 104 24.720 18.996 4.749 1.00 40.30 C +ATOM 809 CD2 LEU A 104 24.325 17.203 6.473 1.00 38.69 C +ATOM 810 OXT LEU A 104 26.974 14.934 6.340 1.00 29.45 O Added: SwiftApps/modFTdock/input/1mj4-1.pdb =================================================================== --- SwiftApps/modFTdock/input/1mj4-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/1mj4-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,623 @@ +ATOM 1 N SER A 3 -0.149 -1.284 20.986 1.00 33.55 N +ATOM 2 CA SER A 3 -0.627 -1.490 19.597 1.00 31.35 C +ATOM 3 C SER A 3 0.541 -1.414 18.656 1.00 29.35 C +ATOM 4 O SER A 3 1.644 -0.932 19.049 1.00 31.39 O +ATOM 5 CB SER A 3 -1.585 -0.396 19.178 1.00 32.09 C +ATOM 6 OG SER A 3 -1.048 0.862 19.386 1.00 32.78 O +ATOM 7 N THR A 4 0.337 -1.870 17.431 1.00 26.34 N +ATOM 8 CA THR A 4 1.440 -1.989 16.477 1.00 24.32 C +ATOM 9 C THR A 4 0.902 -1.720 15.122 1.00 20.66 C +ATOM 10 O THR A 4 -0.064 -2.359 14.730 1.00 21.33 O +ATOM 11 CB THR A 4 2.036 -3.403 16.531 1.00 26.25 C +ATOM 12 OG1 THR A 4 2.371 -3.746 17.876 1.00 32.65 O +ATOM 13 CG2 THR A 4 3.418 -3.456 15.817 1.00 29.12 C +ATOM 14 N HIS A 5 1.563 -0.893 14.305 1.00 18.86 N +ATOM 15 CA HIS A 5 1.276 -0.768 12.917 1.00 17.06 C +ATOM 16 C HIS A 5 1.951 -1.923 12.166 1.00 15.06 C +ATOM 17 O HIS A 5 3.154 -2.042 12.205 1.00 16.01 O +ATOM 18 CB HIS A 5 1.640 0.604 12.386 1.00 20.71 C +ATOM 19 CG HIS A 5 0.780 1.060 11.290 1.00 28.49 C +ATOM 20 ND1 HIS A 5 -0.348 1.853 11.494 1.00 32.51 N +ATOM 21 CD2 HIS A 5 0.851 0.848 9.959 1.00 36.52 C +ATOM 22 CE1 HIS A 5 -0.900 2.123 10.318 1.00 39.34 C +ATOM 23 NE2 HIS A 5 -0.178 1.552 9.370 1.00 40.75 N +ATOM 24 N ILE A 6 1.170 -2.755 11.483 1.00 14.96 N +ATOM 25 CA ILE A 6 1.656 -3.938 10.821 1.00 15.88 C +ATOM 26 C ILE A 6 1.634 -3.734 9.324 1.00 16.94 C +ATOM 27 O ILE A 6 0.624 -3.317 8.752 1.00 20.06 O +ATOM 28 CB ILE A 6 0.860 -5.212 11.251 1.00 16.66 C +ATOM 29 CG1 ILE A 6 0.958 -5.530 12.730 1.00 19.17 C +ATOM 30 CG2 ILE A 6 1.199 -6.395 10.364 1.00 19.91 C +ATOM 31 CD1 ILE A 6 2.296 -5.910 13.180 1.00 22.00 C +ATOM 32 N TYR A 7 2.767 -4.087 8.681 1.00 17.81 N +ATOM 33 CA TYR A 7 2.942 -4.040 7.237 1.00 17.76 C +ATOM 34 C TYR A 7 3.300 -5.421 6.752 1.00 18.38 C +ATOM 35 O TYR A 7 3.880 -6.263 7.433 1.00 22.30 O +ATOM 36 CB TYR A 7 4.165 -3.122 6.902 1.00 16.84 C +ATOM 37 CG TYR A 7 4.015 -1.736 7.338 1.00 15.94 C +ATOM 38 CD1 TYR A 7 4.467 -1.319 8.593 1.00 17.81 C +ATOM 39 CD2 TYR A 7 3.361 -0.768 6.542 1.00 20.42 C +ATOM 40 CE1 TYR A 7 4.253 -0.041 9.031 1.00 17.77 C +ATOM 41 CE2 TYR A 7 3.212 0.551 6.995 1.00 20.75 C +ATOM 42 CZ TYR A 7 3.661 0.916 8.250 1.00 21.64 C +ATOM 43 OH TYR A 7 3.522 2.254 8.709 1.00 25.27 O +ATOM 44 N THR A 8 2.889 -5.712 5.506 1.00 20.80 N +ATOM 45 CA THR A 8 3.347 -6.930 4.872 1.00 23.14 C +ATOM 46 C THR A 8 4.653 -6.705 4.139 1.00 23.21 C +ATOM 47 O THR A 8 5.003 -5.556 3.794 1.00 21.10 O +ATOM 48 CB THR A 8 2.381 -7.411 3.771 1.00 24.87 C +ATOM 49 OG1 THR A 8 2.217 -6.412 2.776 1.00 27.01 O +ATOM 50 CG2 THR A 8 0.901 -7.576 4.245 1.00 29.22 C +ATOM 51 N LYS A 9 5.395 -7.806 3.966 1.00 24.00 N +ATOM 52 CA LYS A 9 6.692 -7.760 3.270 1.00 24.09 C +ATOM 53 C LYS A 9 6.507 -7.209 1.881 1.00 24.88 C +ATOM 54 O LYS A 9 7.348 -6.485 1.355 1.00 22.64 O +ATOM 55 CB LYS A 9 7.312 -9.178 3.184 1.00 26.54 C +ATOM 56 CG LYS A 9 8.308 -9.605 4.264 1.00 33.02 C +ATOM 57 CD LYS A 9 8.627 -11.097 4.243 1.00 37.67 C +ATOM 58 CE LYS A 9 9.134 -11.547 5.653 1.00 40.63 C +ATOM 59 NZ LYS A 9 10.029 -12.714 5.609 1.00 43.28 N +ATOM 60 N GLU A 10 5.395 -7.520 1.252 1.00 25.71 N +ATOM 61 CA GLU A 10 5.062 -7.043 -0.054 1.00 26.62 C +ATOM 62 C GLU A 10 4.880 -5.536 -0.075 1.00 26.29 C +ATOM 63 O GLU A 10 5.348 -4.755 -0.944 1.00 26.69 O +ATOM 64 CB GLU A 10 3.759 -7.775 -0.469 1.00 28.87 C +ATOM 65 CG GLU A 10 3.897 -9.270 -0.759 1.00 36.67 C +ATOM 66 CD GLU A 10 4.146 -10.218 0.433 1.00 42.76 C +ATOM 67 OE1 GLU A 10 3.732 -9.944 1.629 1.00 39.25 O +ATOM 68 OE2 GLU A 10 4.768 -11.310 0.146 1.00 48.51 O +ATOM 69 N GLU A 11 4.270 -5.071 1.018 1.00 24.42 N +ATOM 70 C GLU A 11 5.530 -2.803 1.212 1.00 18.72 C +ATOM 71 O GLU A 11 5.834 -1.757 0.658 1.00 20.60 O +ATOM 72 OE1AGLU A 11 0.884 -4.124 4.253 0.50 28.85 O +ATOM 73 OE1BGLU A 11 1.357 -2.751 4.378 0.50 23.67 O +ATOM 74 OE2AGLU A 11 1.297 -1.588 3.658 0.50 30.29 O +ATOM 75 OE2BGLU A 11 1.896 0.252 2.939 0.50 34.00 O +ATOM 76 N VAL A 12 6.313 -3.404 2.117 1.00 16.99 N +ATOM 77 CA VAL A 12 7.641 -2.847 2.374 1.00 14.97 C +ATOM 78 C VAL A 12 8.406 -2.837 1.039 1.00 14.39 C +ATOM 79 O VAL A 12 9.175 -1.880 0.767 1.00 14.00 O +ATOM 80 CB VAL A 12 8.321 -3.677 3.412 1.00 15.12 C +ATOM 81 CG1 VAL A 12 9.754 -3.196 3.575 1.00 15.90 C +ATOM 82 CG2 VAL A 12 7.587 -3.501 4.708 1.00 15.22 C +ATOM 83 N SER A 13 8.305 -3.906 0.239 1.00 14.46 N +ATOM 84 CA SER A 13 9.087 -4.066 -0.965 1.00 14.78 C +ATOM 85 C SER A 13 8.855 -2.973 -2.004 1.00 15.60 C +ATOM 86 O SER A 13 9.717 -2.732 -2.824 1.00 18.15 O +ATOM 87 CB SER A 13 8.862 -5.476 -1.567 1.00 16.75 C +ATOM 88 OG SER A 13 7.685 -5.512 -2.284 1.00 22.50 O +ATOM 89 N SER A 14 7.737 -2.283 -1.918 1.00 15.07 N +ATOM 90 CA SER A 14 7.396 -1.196 -2.844 1.00 17.19 C +ATOM 91 C SER A 14 8.082 0.130 -2.463 1.00 16.70 C +ATOM 92 O SER A 14 8.118 1.054 -3.252 1.00 19.16 O +ATOM 93 CB SER A 14 5.875 -1.048 -2.944 1.00 19.77 C +ATOM 94 OG SER A 14 5.316 -0.389 -1.887 1.00 26.01 O +ATOM 95 N HIS A 15 8.713 0.205 -1.276 1.00 14.30 N +ATOM 96 CA HIS A 15 9.233 1.451 -0.781 1.00 13.67 C +ATOM 97 C HIS A 15 10.725 1.539 -0.962 1.00 12.76 C +ATOM 98 O HIS A 15 11.552 1.283 -0.035 1.00 12.96 O +ATOM 99 CB HIS A 15 8.831 1.599 0.699 1.00 15.68 C +ATOM 100 CG HIS A 15 7.383 1.998 0.822 1.00 17.52 C +ATOM 101 ND1 HIS A 15 6.337 1.107 0.934 1.00 22.02 N +ATOM 102 CD2 HIS A 15 6.828 3.222 0.800 1.00 21.50 C +ATOM 103 CE1 HIS A 15 5.177 1.779 0.998 1.00 20.14 C +ATOM 104 NE2 HIS A 15 5.466 3.064 0.930 1.00 23.93 N +ATOM 105 N THR A 16 11.089 1.926 -2.184 1.00 13.77 N +ATOM 106 CA THR A 16 12.450 1.885 -2.620 1.00 14.13 C +ATOM 107 C THR A 16 12.932 3.227 -3.151 1.00 15.08 C +ATOM 108 O THR A 16 14.063 3.295 -3.617 1.00 18.51 O +ATOM 109 CB THR A 16 12.695 0.775 -3.673 1.00 15.05 C +ATOM 110 OG1 THR A 16 11.858 1.063 -4.819 1.00 16.81 O +ATOM 111 CG2 THR A 16 12.368 -0.586 -3.180 1.00 18.05 C +ATOM 112 N SER A 17 12.143 4.267 -3.043 1.00 16.35 N +ATOM 113 CA SER A 17 12.498 5.616 -3.562 1.00 17.83 C +ATOM 114 C SER A 17 11.969 6.710 -2.614 1.00 18.13 C +ATOM 115 O SER A 17 11.021 6.509 -1.839 1.00 20.87 O +ATOM 116 CB SER A 17 11.900 5.827 -4.994 1.00 19.72 C +ATOM 117 OG SER A 17 10.508 5.967 -4.864 1.00 23.51 O +ATOM 118 N PRO A 18 12.473 7.910 -2.753 1.00 22.71 N +ATOM 119 CA PRO A 18 11.890 9.105 -2.023 1.00 25.42 C +ATOM 120 C PRO A 18 10.422 9.387 -2.227 1.00 28.55 C +ATOM 121 O PRO A 18 9.693 9.717 -1.236 1.00 28.65 O +ATOM 122 CB PRO A 18 12.650 10.239 -2.564 1.00 26.85 C +ATOM 123 CG PRO A 18 13.963 9.623 -2.915 1.00 24.45 C +ATOM 124 CD PRO A 18 13.708 8.216 -3.505 1.00 23.26 C +ATOM 125 N GLU A 19 9.958 9.205 -3.460 1.00 30.81 N +ATOM 126 CA GLU A 19 8.550 9.431 -3.783 1.00 33.11 C +ATOM 127 C GLU A 19 7.681 8.539 -2.917 1.00 31.24 C +ATOM 128 O GLU A 19 6.693 8.981 -2.297 1.00 32.60 O +ATOM 129 CB GLU A 19 8.293 9.214 -5.289 1.00 36.22 C +ATOM 130 CG GLU A 19 7.859 7.825 -5.745 1.00 43.78 C +ATOM 131 CD GLU A 19 7.768 7.644 -7.287 1.00 53.22 C +ATOM 132 OE1 GLU A 19 8.211 8.551 -8.063 1.00 56.87 O +ATOM 133 OE2 GLU A 19 7.255 6.564 -7.731 1.00 57.71 O +ATOM 134 N THR A 20 8.083 7.265 -2.806 1.00 28.23 N +ATOM 135 CA THR A 20 7.340 6.347 -2.019 1.00 26.43 C +ATOM 136 C THR A 20 7.751 6.391 -0.556 1.00 23.03 C +ATOM 137 O THR A 20 6.946 5.978 0.303 1.00 23.92 O +ATOM 138 CB THR A 20 7.579 4.921 -2.577 1.00 26.92 C +ATOM 139 OG1 THR A 20 6.819 3.957 -1.888 1.00 36.89 O +ATOM 140 CG2 THR A 20 8.920 4.492 -2.349 1.00 18.65 C +ATOM 141 N GLY A 21 8.981 6.849 -0.252 1.00 21.55 N +ATOM 142 CA GLY A 21 9.683 6.528 1.025 1.00 17.63 C +ATOM 143 C GLY A 21 10.535 5.284 0.799 1.00 14.49 C +ATOM 144 O GLY A 21 10.138 4.341 0.095 1.00 16.39 O +ATOM 145 N ILE A 22 11.720 5.324 1.420 1.00 10.65 N +ATOM 146 CA ILE A 22 12.697 4.255 1.386 1.00 9.45 C +ATOM 147 C ILE A 22 12.602 3.521 2.721 1.00 9.50 C +ATOM 148 O ILE A 22 12.932 4.108 3.760 1.00 9.61 O +ATOM 149 CB ILE A 22 14.123 4.834 1.189 1.00 10.93 C +ATOM 150 CG1 ILE A 22 14.194 5.666 -0.072 1.00 12.70 C +ATOM 151 CG2 ILE A 22 15.152 3.708 1.226 1.00 11.11 C +ATOM 152 CD1 ILE A 22 15.367 6.609 -0.183 1.00 13.64 C +ATOM 153 N TRP A 23 12.179 2.282 2.681 1.00 9.38 N +ATOM 154 CA TRP A 23 11.998 1.452 3.870 1.00 9.33 C +ATOM 155 C TRP A 23 12.920 0.260 3.866 1.00 8.56 C +ATOM 156 O TRP A 23 13.292 -0.248 2.829 1.00 10.47 O +ATOM 157 CB TRP A 23 10.582 0.955 4.004 1.00 9.52 C +ATOM 158 CG TRP A 23 9.456 2.000 4.067 1.00 11.08 C +ATOM 159 CD1 TRP A 23 9.534 3.370 3.979 1.00 10.37 C +ATOM 160 CD2 TRP A 23 8.072 1.687 4.212 1.00 12.11 C +ATOM 161 NE1 TRP A 23 8.259 3.900 4.045 1.00 12.52 N +ATOM 162 CE2 TRP A 23 7.379 2.898 4.214 1.00 12.41 C +ATOM 163 CE3 TRP A 23 7.373 0.517 4.417 1.00 13.09 C +ATOM 164 CZ2 TRP A 23 5.979 2.963 4.340 1.00 14.27 C +ATOM 165 CZ3 TRP A 23 5.998 0.562 4.521 1.00 16.90 C +ATOM 166 CH2 TRP A 23 5.334 1.775 4.451 1.00 16.44 C +ATOM 167 N VAL A 24 13.272 -0.176 5.066 1.00 8.61 N +ATOM 168 CA VAL A 24 14.011 -1.416 5.314 1.00 8.27 C +ATOM 169 C VAL A 24 13.418 -2.112 6.491 1.00 7.52 C +ATOM 170 O VAL A 24 12.659 -1.552 7.270 1.00 8.80 O +ATOM 171 CB VAL A 24 15.514 -1.182 5.528 1.00 8.09 C +ATOM 172 CG1 VAL A 24 16.182 -0.558 4.296 1.00 9.51 C +ATOM 173 CG2 VAL A 24 15.784 -0.334 6.758 1.00 9.48 C +ATOM 174 N THR A 25 13.804 -3.383 6.682 1.00 8.06 N +ATOM 175 CA THR A 25 13.479 -4.143 7.851 1.00 8.24 C +ATOM 176 C THR A 25 14.712 -4.683 8.585 1.00 7.95 C +ATOM 177 O THR A 25 15.763 -4.876 8.000 1.00 8.14 O +ATOM 178 CB THR A 25 12.462 -5.269 7.555 1.00 9.31 C +ATOM 179 OG1 THR A 25 13.102 -6.320 6.806 1.00 9.63 O +ATOM 180 CG2 THR A 25 11.255 -4.790 6.816 1.00 11.69 C +ATOM 181 N LEU A 26 14.516 -4.907 9.876 1.00 7.42 N +ATOM 182 CA LEU A 26 15.529 -5.542 10.697 1.00 7.71 C +ATOM 183 C LEU A 26 14.771 -6.334 11.731 1.00 8.50 C +ATOM 184 O LEU A 26 13.899 -5.793 12.436 1.00 8.92 O +ATOM 185 CB LEU A 26 16.490 -4.557 11.367 1.00 8.13 C +ATOM 186 CG LEU A 26 17.600 -5.218 12.191 1.00 8.81 C +ATOM 187 CD1 LEU A 26 18.619 -5.947 11.338 1.00 9.92 C +ATOM 188 CD2 LEU A 26 18.336 -4.216 13.015 1.00 10.81 C +ATOM 189 N GLY A 27 15.003 -7.629 11.803 1.00 9.26 N +ATOM 190 CA GLY A 27 14.086 -8.482 12.576 1.00 10.57 C +ATOM 191 C GLY A 27 12.715 -8.367 11.975 1.00 11.50 C +ATOM 192 O GLY A 27 12.532 -8.343 10.769 1.00 13.27 O +ATOM 193 N SER A 28 11.704 -8.220 12.843 1.00 12.29 N +ATOM 194 CA SER A 28 10.317 -7.963 12.401 1.00 13.38 C +ATOM 195 C SER A 28 9.994 -6.495 12.371 1.00 12.58 C +ATOM 196 O SER A 28 8.822 -6.149 12.185 1.00 18.46 O +ATOM 197 CB SER A 28 9.313 -8.682 13.346 1.00 16.11 C +ATOM 198 OG SER A 28 9.514 -10.040 13.097 1.00 24.74 O +ATOM 199 N GLU A 29 10.922 -5.599 12.556 1.00 9.62 N +ATOM 200 CA GLU A 29 10.640 -4.174 12.610 1.00 9.80 C +ATOM 201 C GLU A 29 10.833 -3.532 11.225 1.00 8.71 C +ATOM 202 O GLU A 29 11.717 -3.934 10.444 1.00 9.22 O +ATOM 203 CB GLU A 29 11.494 -3.501 13.671 1.00 9.47 C +ATOM 204 CG GLU A 29 11.210 -3.976 15.075 1.00 10.92 C +ATOM 205 CD GLU A 29 11.946 -3.233 16.141 1.00 13.02 C +ATOM 206 OE1 GLU A 29 13.154 -3.044 16.002 1.00 14.00 O +ATOM 207 OE2 GLU A 29 11.309 -2.820 17.121 1.00 16.99 O +ATOM 208 N VAL A 30 10.023 -2.514 10.943 1.00 8.56 N +ATOM 209 CA VAL A 30 9.980 -1.773 9.685 1.00 8.14 C +ATOM 210 C VAL A 30 10.403 -0.341 9.954 1.00 7.79 C +ATOM 211 O VAL A 30 9.887 0.273 10.915 1.00 9.07 O +ATOM 212 CB VAL A 30 8.593 -1.829 9.050 1.00 9.10 C +ATOM 213 CG1 VAL A 30 8.537 -1.109 7.724 1.00 10.44 C +ATOM 214 CG2 VAL A 30 8.142 -3.276 8.889 1.00 11.07 C +ATOM 215 N PHE A 31 11.287 0.215 9.100 1.00 8.41 N +ATOM 216 CA PHE A 31 11.863 1.531 9.305 1.00 7.65 C +ATOM 217 C PHE A 31 11.740 2.324 8.009 1.00 8.56 C +ATOM 218 O PHE A 31 12.046 1.819 6.930 1.00 9.57 O +ATOM 219 CB PHE A 31 13.358 1.402 9.663 1.00 7.32 C +ATOM 220 CG PHE A 31 13.600 0.534 10.837 1.00 7.09 C +ATOM 221 CD1 PHE A 31 13.787 -0.824 10.688 1.00 8.04 C +ATOM 222 CD2 PHE A 31 13.636 1.033 12.112 1.00 8.01 C +ATOM 223 CE1 PHE A 31 13.986 -1.670 11.763 1.00 8.53 C +ATOM 224 CE2 PHE A 31 13.811 0.224 13.205 1.00 8.44 C +ATOM 225 CZ PHE A 31 13.967 -1.151 13.019 1.00 8.65 C +ATOM 226 N ASP A 32 11.298 3.571 8.124 1.00 8.33 N +ATOM 227 CA ASP A 32 11.268 4.517 6.996 1.00 8.84 C +ATOM 228 C ASP A 32 12.504 5.420 7.151 1.00 7.54 C +ATOM 229 O ASP A 32 12.510 6.337 7.961 1.00 8.46 O +ATOM 230 CB ASP A 32 10.006 5.357 6.965 1.00 9.64 C +ATOM 231 CG ASP A 32 10.030 6.423 5.906 1.00 11.46 C +ATOM 232 OD1 ASP A 32 11.015 6.552 5.208 1.00 10.49 O +ATOM 233 OD2 ASP A 32 9.038 7.207 5.801 1.00 18.38 O +ATOM 234 N VAL A 33 13.566 5.107 6.401 1.00 7.47 N +ATOM 235 CA VAL A 33 14.863 5.710 6.568 1.00 7.80 C +ATOM 236 C VAL A 33 15.127 6.794 5.505 1.00 8.55 C +ATOM 237 O VAL A 33 16.262 7.285 5.411 1.00 9.54 O +ATOM 238 CB VAL A 33 16.012 4.682 6.572 1.00 8.10 C +ATOM 239 CG1 VAL A 33 15.874 3.765 7.779 1.00 8.57 C +ATOM 240 CG2 VAL A 33 16.082 3.895 5.292 1.00 8.06 C +ATOM 241 N THR A 34 14.106 7.239 4.802 1.00 8.82 N +ATOM 242 CA THR A 34 14.225 8.246 3.751 1.00 8.75 C +ATOM 243 C THR A 34 15.103 9.405 4.166 1.00 10.17 C +ATOM 244 O THR A 34 16.003 9.787 3.385 1.00 10.72 O +ATOM 245 CB THR A 34 12.823 8.742 3.375 1.00 10.32 C +ATOM 246 OG1 THR A 34 11.967 7.659 3.041 1.00 10.66 O +ATOM 247 CG2 THR A 34 12.873 9.646 2.150 1.00 13.12 C +ATOM 248 N GLU A 35 14.844 10.010 5.304 1.00 9.76 N +ATOM 249 CA GLU A 35 15.560 11.209 5.710 1.00 10.55 C +ATOM 250 C GLU A 35 16.966 10.967 6.162 1.00 10.41 C +ATOM 251 O GLU A 35 17.747 11.929 6.233 1.00 14.84 O +ATOM 252 CB GLU A 35 14.781 12.045 6.697 1.00 12.76 C +ATOM 253 CG GLU A 35 13.434 12.527 6.128 1.00 15.04 C +ATOM 254 CD GLU A 35 13.584 13.358 4.852 1.00 30.10 C +ATOM 255 OE1 GLU A 35 14.578 14.142 4.720 1.00 31.70 O +ATOM 256 OE2 GLU A 35 12.743 13.191 3.917 1.00 39.27 O +ATOM 257 N PHE A 36 17.366 9.738 6.431 1.00 8.93 N +ATOM 258 CA PHE A 36 18.728 9.407 6.796 1.00 8.40 C +ATOM 259 C PHE A 36 19.620 9.146 5.604 1.00 7.60 C +ATOM 260 O PHE A 36 20.843 9.285 5.745 1.00 8.42 O +ATOM 261 CB PHE A 36 18.752 8.173 7.716 1.00 8.52 C +ATOM 262 CG PHE A 36 20.112 7.755 8.140 1.00 8.38 C +ATOM 263 CD1 PHE A 36 20.871 8.538 9.024 1.00 9.85 C +ATOM 264 CD2 PHE A 36 20.683 6.608 7.619 1.00 8.92 C +ATOM 265 CE1 PHE A 36 22.159 8.186 9.328 1.00 10.83 C +ATOM 266 CE2 PHE A 36 21.989 6.281 7.949 1.00 10.20 C +ATOM 267 CZ PHE A 36 22.693 7.013 8.808 1.00 10.63 C +ATOM 268 N VAL A 37 19.130 8.632 4.489 1.00 8.44 N +ATOM 269 CA VAL A 37 20.003 7.982 3.523 1.00 8.37 C +ATOM 270 C VAL A 37 21.165 8.810 3.053 1.00 7.25 C +ATOM 271 O VAL A 37 22.266 8.296 2.951 1.00 7.89 O +ATOM 272 CG1AVAL A 37 18.157 6.522 2.789 0.50 11.74 C +ATOM 273 CG1BVAL A 37 19.782 7.200 1.030 0.50 15.69 C +ATOM 274 CG2AVAL A 37 18.708 8.322 1.405 0.50 12.01 C +ATOM 275 CG2BVAL A 37 18.082 6.400 2.790 0.50 19.98 C +ATOM 276 N ASP A 38 20.967 10.104 2.782 1.00 8.08 N +ATOM 277 CA ASP A 38 22.061 10.930 2.227 1.00 9.53 C +ATOM 278 C ASP A 38 23.202 11.081 3.243 1.00 8.83 C +ATOM 279 O ASP A 38 24.329 11.419 2.869 1.00 9.87 O +ATOM 280 CB ASP A 38 21.560 12.287 1.816 1.00 10.14 C +ATOM 281 CG ASP A 38 20.706 12.299 0.539 1.00 11.01 C +ATOM 282 OD1 ASP A 38 20.605 11.265 -0.115 1.00 12.67 O +ATOM 283 OD2 ASP A 38 20.206 13.410 0.276 1.00 14.14 O +ATOM 284 N LEU A 39 22.934 10.872 4.562 1.00 8.48 N +ATOM 285 CA LEU A 39 23.892 10.967 5.632 1.00 8.87 C +ATOM 286 C LEU A 39 24.585 9.655 5.901 1.00 8.90 C +ATOM 287 O LEU A 39 25.441 9.580 6.790 1.00 11.19 O +ATOM 288 CB LEU A 39 23.214 11.441 6.938 1.00 9.64 C +ATOM 289 CG LEU A 39 22.699 12.854 6.965 1.00 13.87 C +ATOM 290 CD1 LEU A 39 23.713 13.843 6.707 1.00 16.24 C +ATOM 291 CD2 LEU A 39 21.497 13.215 6.144 1.00 18.57 C +ATOM 292 N HIS A 40 24.281 8.608 5.189 1.00 8.21 N +ATOM 293 CA HIS A 40 24.912 7.330 5.440 1.00 8.59 C +ATOM 294 C HIS A 40 26.407 7.425 5.202 1.00 9.30 C +ATOM 295 O HIS A 40 26.823 7.870 4.124 1.00 11.28 O +ATOM 296 CB HIS A 40 24.340 6.249 4.526 1.00 7.71 C +ATOM 297 CG HIS A 40 24.895 4.890 4.786 1.00 7.37 C +ATOM 298 ND1 HIS A 40 25.663 4.211 3.882 1.00 7.73 N +ATOM 299 CD2 HIS A 40 24.870 4.116 5.904 1.00 7.91 C +ATOM 300 CE1 HIS A 40 26.033 3.051 4.422 1.00 8.48 C +ATOM 301 NE2 HIS A 40 25.558 2.945 5.663 1.00 7.08 N +ATOM 302 N PRO A 41 27.246 7.008 6.126 1.00 9.99 N +ATOM 303 CA PRO A 41 28.694 7.025 5.896 1.00 12.81 C +ATOM 304 C PRO A 41 29.139 6.317 4.576 1.00 17.39 C +ATOM 305 O PRO A 41 28.660 5.250 4.386 1.00 18.18 O +ATOM 306 CB PRO A 41 29.307 6.433 7.183 1.00 13.21 C +ATOM 307 CG PRO A 41 28.341 6.882 8.202 1.00 11.01 C +ATOM 308 CD PRO A 41 26.953 6.661 7.526 1.00 10.49 C +ATOM 309 N GLY A 42 29.918 7.031 3.712 1.00 19.48 N +ATOM 310 CA GLY A 42 30.307 6.601 2.349 1.00 19.88 C +ATOM 311 C GLY A 42 29.247 6.907 1.280 1.00 18.98 C +ATOM 312 O GLY A 42 29.414 6.648 0.076 1.00 21.51 O +ATOM 313 N GLY A 43 28.137 7.398 1.667 1.00 17.81 N +ATOM 314 CA GLY A 43 27.148 7.710 0.778 1.00 15.92 C +ATOM 315 C GLY A 43 26.002 6.719 0.760 1.00 11.41 C +ATOM 316 O GLY A 43 26.010 5.586 1.300 1.00 11.57 O +ATOM 317 N PRO A 44 24.960 7.215 0.188 1.00 9.71 N +ATOM 318 CA PRO A 44 23.692 6.527 0.176 1.00 8.47 C +ATOM 319 C PRO A 44 23.641 5.351 -0.712 1.00 7.55 C +ATOM 320 O PRO A 44 22.790 4.495 -0.490 1.00 8.51 O +ATOM 321 CB PRO A 44 22.711 7.615 -0.260 1.00 11.62 C +ATOM 322 CG PRO A 44 23.487 8.574 -0.977 1.00 13.39 C +ATOM 323 CD PRO A 44 24.820 8.646 -0.278 1.00 12.38 C +ATOM 324 N SER A 45 24.433 5.248 -1.777 1.00 7.58 N +ATOM 325 CA SER A 45 24.217 4.169 -2.737 1.00 7.51 C +ATOM 326 C SER A 45 24.424 2.789 -2.087 1.00 7.72 C +ATOM 327 O SER A 45 23.709 1.845 -2.465 1.00 8.23 O +ATOM 328 CB SER A 45 25.052 4.344 -4.000 1.00 8.71 C +ATOM 329 N LYS A 46 25.388 2.607 -1.185 1.00 7.68 N +ATOM 330 CA LYS A 46 25.534 1.313 -0.536 1.00 8.85 C +ATOM 331 C LYS A 46 24.303 0.961 0.263 1.00 8.69 C +ATOM 332 O LYS A 46 23.807 -0.181 0.208 1.00 9.20 O +ATOM 333 CB LYS A 46 26.749 1.334 0.349 1.00 13.15 C +ATOM 334 CG LYS A 46 27.950 0.961 -0.400 1.00 18.62 C +ATOM 335 CD LYS A 46 28.207 -0.491 0.028 1.00 27.42 C +ATOM 336 CE LYS A 46 29.697 -0.710 0.087 1.00 27.70 C +ATOM 337 NZ LYS A 46 29.983 -1.808 -0.942 1.00 23.04 N +ATOM 338 N LEU A 47 23.772 1.890 1.060 1.00 7.91 N +ATOM 339 CA LEU A 47 22.590 1.667 1.836 1.00 7.92 C +ATOM 340 C LEU A 47 21.459 1.215 0.949 1.00 7.84 C +ATOM 341 O LEU A 47 20.672 0.304 1.313 1.00 8.34 O +ATOM 342 CB LEU A 47 22.251 2.946 2.646 1.00 8.28 C +ATOM 343 CG LEU A 47 21.000 2.918 3.518 1.00 8.02 C +ATOM 344 CD1 LEU A 47 21.096 3.982 4.589 1.00 8.43 C +ATOM 345 CD2 LEU A 47 19.716 3.102 2.715 1.00 9.93 C +ATOM 346 N MET A 48 21.325 1.838 -0.220 1.00 7.39 N +ATOM 347 CA MET A 48 20.210 1.607 -1.107 1.00 7.72 C +ATOM 348 C MET A 48 20.180 0.193 -1.653 1.00 7.56 C +ATOM 349 O MET A 48 19.113 -0.233 -2.114 1.00 8.64 O +ATOM 350 CB MET A 48 20.189 2.600 -2.251 1.00 8.01 C +ATOM 351 CG MET A 48 19.826 3.997 -1.806 1.00 9.01 C +ATOM 352 SD MET A 48 18.229 4.170 -0.989 1.00 10.25 S +ATOM 353 CE MET A 48 17.117 3.816 -2.367 1.00 10.62 C +ATOM 354 N LEU A 49 21.279 -0.558 -1.597 1.00 7.90 N +ATOM 355 CA LEU A 49 21.236 -1.979 -1.957 1.00 8.78 C +ATOM 356 C LEU A 49 20.178 -2.731 -1.186 1.00 8.92 C +ATOM 357 O LEU A 49 19.641 -3.721 -1.701 1.00 9.66 O +ATOM 358 CB LEU A 49 22.599 -2.586 -1.773 1.00 8.51 C +ATOM 359 CG LEU A 49 23.704 -2.170 -2.699 1.00 10.24 C +ATOM 360 CD1 LEU A 49 25.050 -2.677 -2.226 1.00 10.82 C +ATOM 361 CD2 LEU A 49 23.390 -2.548 -4.162 1.00 11.88 C +ATOM 362 N ALA A 50 19.885 -2.313 0.029 1.00 8.35 N +ATOM 363 CA ALA A 50 18.933 -2.993 0.894 1.00 8.69 C +ATOM 364 C ALA A 50 17.537 -2.448 0.810 1.00 8.71 C +ATOM 365 O ALA A 50 16.643 -2.977 1.460 1.00 9.40 O +ATOM 366 CB ALA A 50 19.460 -2.938 2.354 1.00 9.70 C +ATOM 367 N ALA A 51 17.306 -1.371 0.056 1.00 8.87 N +ATOM 368 CA ALA A 51 15.985 -0.731 0.047 1.00 9.53 C +ATOM 369 C ALA A 51 14.881 -1.708 -0.253 1.00 9.09 C +ATOM 370 O ALA A 51 14.963 -2.522 -1.162 1.00 10.71 O +ATOM 371 CB ALA A 51 15.975 0.410 -0.974 1.00 10.72 C +ATOM 372 N GLY A 52 13.789 -1.588 0.493 1.00 9.29 N +ATOM 373 CA GLY A 52 12.627 -2.419 0.303 1.00 11.14 C +ATOM 374 C GLY A 52 12.689 -3.778 0.948 1.00 11.02 C +ATOM 375 O GLY A 52 11.719 -4.529 0.800 1.00 15.34 O +ATOM 376 N GLY A 53 13.712 -4.100 1.702 1.00 9.48 N +ATOM 377 CA GLY A 53 13.904 -5.416 2.234 1.00 10.30 C +ATOM 378 C GLY A 53 14.708 -5.457 3.505 1.00 8.53 C +ATOM 379 O GLY A 53 14.951 -4.416 4.143 1.00 8.54 O +ATOM 380 N PRO A 54 15.127 -6.651 3.899 1.00 8.85 N +ATOM 381 CA PRO A 54 15.821 -6.823 5.161 1.00 7.90 C +ATOM 382 C PRO A 54 17.263 -6.335 5.081 1.00 7.58 C +ATOM 383 O PRO A 54 18.003 -6.485 4.088 1.00 8.29 O +ATOM 384 CB PRO A 54 15.795 -8.339 5.335 1.00 9.80 C +ATOM 385 CG PRO A 54 15.788 -8.880 3.910 1.00 12.29 C +ATOM 386 CD PRO A 54 14.891 -7.944 3.180 1.00 10.01 C +ATOM 387 N LEU A 55 17.739 -5.799 6.193 1.00 7.07 N +ATOM 388 CA LEU A 55 19.139 -5.417 6.355 1.00 6.41 C +ATOM 389 C LEU A 55 20.031 -6.615 6.605 1.00 6.87 C +ATOM 390 O LEU A 55 21.239 -6.553 6.256 1.00 7.25 O +ATOM 391 CB LEU A 55 19.312 -4.415 7.515 1.00 7.47 C +ATOM 392 CG LEU A 55 18.665 -3.046 7.262 1.00 6.66 C +ATOM 393 CD1 LEU A 55 18.761 -2.194 8.500 1.00 7.94 C +ATOM 394 CD2 LEU A 55 19.363 -2.349 6.122 1.00 9.74 C +ATOM 395 N GLU A 56 19.543 -7.650 7.238 1.00 7.06 N +ATOM 396 CA GLU A 56 20.380 -8.754 7.680 1.00 7.80 C +ATOM 397 C GLU A 56 21.350 -9.293 6.639 1.00 7.21 C +ATOM 398 O GLU A 56 22.526 -9.496 6.981 1.00 7.60 O +ATOM 399 CB GLU A 56 19.579 -9.937 8.242 1.00 8.71 C +ATOM 400 CG GLU A 56 18.852 -9.658 9.543 1.00 9.64 C +ATOM 401 CD GLU A 56 17.473 -9.035 9.471 1.00 9.21 C +ATOM 402 OE1 GLU A 56 17.125 -8.352 8.522 1.00 8.85 O +ATOM 403 OE2 GLU A 56 16.753 -9.250 10.508 1.00 10.08 O +ATOM 404 N PRO A 57 20.960 -9.561 5.394 1.00 7.78 N +ATOM 405 CA PRO A 57 21.899 -10.203 4.471 1.00 8.76 C +ATOM 406 C PRO A 57 23.068 -9.279 4.126 1.00 8.57 C +ATOM 407 O PRO A 57 24.093 -9.785 3.639 1.00 10.87 O +ATOM 408 CB PRO A 57 21.086 -10.413 3.225 1.00 11.27 C +ATOM 409 CG PRO A 57 19.617 -10.305 3.589 1.00 13.99 C +ATOM 410 CD PRO A 57 19.636 -9.468 4.812 1.00 8.40 C +ATOM 411 N PHE A 58 22.926 -7.973 4.284 1.00 7.83 N +ATOM 412 CA PHE A 58 23.937 -6.962 3.979 1.00 8.08 C +ATOM 413 C PHE A 58 24.745 -6.627 5.201 1.00 7.79 C +ATOM 414 O PHE A 58 26.017 -6.636 5.191 1.00 8.66 O +ATOM 415 CB PHE A 58 23.297 -5.688 3.438 1.00 7.67 C +ATOM 416 CG PHE A 58 22.582 -5.894 2.139 1.00 8.74 C +ATOM 417 CD1 PHE A 58 21.228 -6.200 2.084 1.00 10.16 C +ATOM 418 CD2 PHE A 58 23.324 -5.831 0.919 1.00 9.05 C +ATOM 419 CE1 PHE A 58 20.612 -6.445 0.856 1.00 12.07 C +ATOM 420 CE2 PHE A 58 22.659 -6.075 -0.239 1.00 11.58 C +ATOM 421 CZ PHE A 58 21.324 -6.402 -0.304 1.00 11.88 C +ATOM 422 N TRP A 59 24.091 -6.359 6.342 1.00 7.92 N +ATOM 423 CA TRP A 59 24.753 -6.031 7.579 1.00 7.64 C +ATOM 424 C TRP A 59 25.656 -7.164 8.074 1.00 7.00 C +ATOM 425 O TRP A 59 26.630 -6.912 8.753 1.00 8.08 O +ATOM 426 CB TRP A 59 23.797 -5.611 8.648 1.00 7.60 C +ATOM 427 CG TRP A 59 23.353 -4.178 8.601 1.00 7.47 C +ATOM 428 CD1 TRP A 59 23.508 -3.278 7.581 1.00 7.63 C +ATOM 429 CD2 TRP A 59 22.705 -3.455 9.645 1.00 6.55 C +ATOM 430 NE1 TRP A 59 23.065 -2.053 7.933 1.00 8.01 N +ATOM 431 CE2 TRP A 59 22.581 -2.116 9.217 1.00 7.42 C +ATOM 432 CE3 TRP A 59 22.245 -3.775 10.915 1.00 7.51 C +ATOM 433 CZ2 TRP A 59 22.033 -1.137 10.005 1.00 7.93 C +ATOM 434 CZ3 TRP A 59 21.714 -2.815 11.719 1.00 8.21 C +ATOM 435 CH2 TRP A 59 21.631 -1.490 11.269 1.00 8.59 C +ATOM 436 N ALA A 60 25.372 -8.384 7.709 1.00 8.02 N +ATOM 437 CA ALA A 60 26.191 -9.517 8.056 1.00 8.23 C +ATOM 438 C ALA A 60 27.642 -9.321 7.653 1.00 8.11 C +ATOM 439 O ALA A 60 28.560 -9.792 8.344 1.00 9.34 O +ATOM 440 CB ALA A 60 25.687 -10.807 7.409 1.00 8.83 C +ATOM 441 N LEU A 61 27.875 -8.619 6.535 1.00 6.86 N +ATOM 442 CA LEU A 61 29.222 -8.374 6.002 1.00 7.38 C +ATOM 443 C LEU A 61 29.872 -7.126 6.529 1.00 7.27 C +ATOM 444 O LEU A 61 31.016 -6.870 6.208 1.00 8.82 O +ATOM 445 CD1ALEU A 61 30.487 -10.107 3.594 0.50 12.35 C +ATOM 446 CD1BLEU A 61 27.604 -10.235 3.889 0.50 17.98 C +ATOM 447 CD2ALEU A 61 27.840 -10.296 3.876 0.50 7.74 C +ATOM 448 CD2BLEU A 61 29.570 -9.625 2.385 0.50 10.29 C +ATOM 449 N TYR A 62 29.130 -6.351 7.331 1.00 7.12 N +ATOM 450 CA TYR A 62 29.574 -5.043 7.811 1.00 7.23 C +ATOM 451 C TYR A 62 29.320 -4.906 9.293 1.00 7.34 C +ATOM 452 O TYR A 62 28.354 -4.292 9.742 1.00 6.93 O +ATOM 453 CB TYR A 62 28.890 -3.933 6.997 1.00 8.13 C +ATOM 454 CG TYR A 62 29.341 -3.902 5.574 1.00 8.25 C +ATOM 455 CD1 TYR A 62 30.548 -3.254 5.248 1.00 11.56 C +ATOM 456 CD2 TYR A 62 28.660 -4.466 4.536 1.00 8.40 C +ATOM 457 CE1 TYR A 62 31.016 -3.251 3.955 1.00 12.44 C +ATOM 458 CE2 TYR A 62 29.095 -4.434 3.234 1.00 9.53 C +ATOM 459 CZ TYR A 62 30.255 -3.816 2.939 1.00 11.03 C +ATOM 460 OH TYR A 62 30.762 -3.710 1.641 1.00 13.53 O +ATOM 461 N ALA A 63 30.237 -5.498 10.080 1.00 8.33 N +ATOM 462 CA ALA A 63 30.122 -5.496 11.517 1.00 8.60 C +ATOM 463 C ALA A 63 30.288 -4.132 12.152 1.00 8.03 C +ATOM 464 O ALA A 63 29.921 -3.994 13.335 1.00 8.53 O +ATOM 465 CB ALA A 63 31.085 -6.484 12.135 1.00 9.53 C +ATOM 466 N VAL A 64 30.627 -3.098 11.440 1.00 8.03 N +ATOM 467 CA VAL A 64 30.558 -1.726 11.956 1.00 8.74 C +ATOM 468 C VAL A 64 29.107 -1.375 12.375 1.00 7.61 C +ATOM 469 O VAL A 64 28.943 -0.501 13.218 1.00 8.85 O +ATOM 470 CB VAL A 64 31.035 -0.748 10.865 1.00 11.13 C +ATOM 471 CG1 VAL A 64 30.096 -0.605 9.688 1.00 11.52 C +ATOM 472 CG2 VAL A 64 31.366 0.606 11.495 1.00 13.82 C +ATOM 473 N HIS A 65 28.093 -2.039 11.855 1.00 7.14 N +ATOM 474 CA HIS A 65 26.739 -1.790 12.295 1.00 6.51 C +ATOM 475 C HIS A 65 26.388 -2.405 13.652 1.00 7.03 C +ATOM 476 O HIS A 65 25.333 -2.138 14.199 1.00 7.32 O +ATOM 477 CB HIS A 65 25.711 -2.206 11.224 1.00 6.63 C +ATOM 478 CG HIS A 65 25.918 -1.553 9.923 1.00 5.98 C +ATOM 479 ND1 HIS A 65 26.682 -2.124 8.921 1.00 6.80 N +ATOM 480 CD2 HIS A 65 25.549 -0.332 9.441 1.00 6.73 C +ATOM 481 CE1 HIS A 65 26.685 -1.266 7.889 1.00 6.50 C +ATOM 482 NE2 HIS A 65 25.977 -0.181 8.141 1.00 6.81 N +ATOM 483 N ASN A 66 27.291 -3.259 14.173 1.00 7.39 N +ATOM 484 CA ASN A 66 27.054 -3.946 15.411 1.00 7.81 C +ATOM 485 C ASN A 66 27.544 -3.141 16.610 1.00 7.90 C +ATOM 486 O ASN A 66 28.469 -3.527 17.312 1.00 9.77 O +ATOM 487 CB ASN A 66 27.685 -5.353 15.369 1.00 8.52 C +ATOM 488 CG ASN A 66 27.171 -6.163 14.204 1.00 8.33 C +ATOM 489 OD1 ASN A 66 26.073 -5.876 13.680 1.00 10.80 O +ATOM 490 ND2 ASN A 66 27.847 -7.217 13.832 1.00 8.80 N +ATOM 491 N GLN A 67 26.933 -1.978 16.773 1.00 7.54 N +ATOM 492 CA GLN A 67 27.229 -1.013 17.817 1.00 7.40 C +ATOM 493 C GLN A 67 25.915 -0.505 18.358 1.00 7.01 C +ATOM 494 O GLN A 67 24.956 -0.309 17.601 1.00 7.34 O +ATOM 495 CB GLN A 67 28.039 0.151 17.336 1.00 8.80 C +ATOM 496 CG GLN A 67 29.418 -0.186 16.787 1.00 9.56 C +ATOM 497 CD GLN A 67 30.118 1.028 16.328 1.00 9.08 C +ATOM 498 OE1 GLN A 67 30.535 1.853 17.186 1.00 11.99 O +ATOM 499 NE2 GLN A 67 30.234 1.267 15.044 1.00 10.37 N +ATOM 500 N SER A 68 25.820 -0.255 19.672 1.00 7.02 N +ATOM 501 CA SER A 68 24.569 0.220 20.243 1.00 7.20 C +ATOM 502 C SER A 68 24.107 1.521 19.615 1.00 6.22 C +ATOM 503 O SER A 68 22.893 1.712 19.440 1.00 7.17 O +ATOM 504 CB SER A 68 24.667 0.357 21.760 1.00 8.18 C +ATOM 505 OG SER A 68 25.517 1.380 22.170 1.00 10.44 O +ATOM 506 N HIS A 69 25.010 2.421 19.244 1.00 6.42 N +ATOM 507 CA HIS A 69 24.568 3.705 18.696 1.00 6.52 C +ATOM 508 C HIS A 69 23.906 3.509 17.352 1.00 6.56 C +ATOM 509 O HIS A 69 22.903 4.170 17.036 1.00 6.99 O +ATOM 510 CB HIS A 69 25.695 4.733 18.594 1.00 7.11 C +ATOM 511 CG HIS A 69 26.519 4.665 17.345 1.00 8.55 C +ATOM 512 ND1 HIS A 69 26.154 5.385 16.229 1.00 8.94 N +ATOM 513 CD2 HIS A 69 27.694 4.090 17.045 1.00 9.42 C +ATOM 514 CE1 HIS A 69 27.077 5.180 15.294 1.00 9.07 C +ATOM 515 NE2 HIS A 69 28.031 4.409 15.787 1.00 9.87 N +ATOM 516 N VAL A 70 24.381 2.560 16.534 1.00 5.86 N +ATOM 517 CA VAL A 70 23.790 2.325 15.225 1.00 6.17 C +ATOM 518 C VAL A 70 22.385 1.803 15.353 1.00 6.15 C +ATOM 519 O VAL A 70 21.458 2.178 14.653 1.00 6.87 O +ATOM 520 CB VAL A 70 24.654 1.360 14.388 1.00 6.47 C +ATOM 521 CG1 VAL A 70 23.984 1.020 13.080 1.00 7.28 C +ATOM 522 CG2 VAL A 70 26.062 1.935 14.161 1.00 7.32 C +ATOM 523 N ARG A 71 22.213 0.878 16.313 1.00 6.88 N +ATOM 524 CA ARG A 71 20.882 0.280 16.497 1.00 7.22 C +ATOM 525 C ARG A 71 19.845 1.279 17.000 1.00 6.90 C +ATOM 526 O ARG A 71 18.696 1.235 16.577 1.00 7.69 O +ATOM 527 CB ARG A 71 20.979 -0.913 17.432 1.00 8.34 C +ATOM 528 CG ARG A 71 21.943 -1.974 16.946 1.00 9.85 C +ATOM 529 CD ARG A 71 21.895 -2.287 15.438 1.00 9.86 C +ATOM 530 NE ARG A 71 22.817 -3.317 15.023 1.00 9.94 N +ATOM 531 CZ ARG A 71 22.562 -4.606 15.026 1.00 10.61 C +ATOM 532 NH1 ARG A 71 21.375 -5.044 15.407 1.00 11.56 N +ATOM 533 NH2 ARG A 71 23.478 -5.460 14.617 1.00 11.95 N +ATOM 534 N GLU A 72 20.262 2.185 17.902 1.00 7.02 N +ATOM 535 CA GLU A 72 19.329 3.172 18.396 1.00 7.25 C +ATOM 536 C GLU A 72 19.086 4.267 17.342 1.00 6.60 C +ATOM 537 O GLU A 72 17.963 4.774 17.233 1.00 7.67 O +ATOM 538 CB GLU A 72 19.750 3.737 19.729 1.00 8.42 C +ATOM 539 CG GLU A 72 18.668 4.639 20.418 1.00 10.41 C +ATOM 540 CD GLU A 72 17.241 4.003 20.546 1.00 11.56 C +ATOM 541 OE1 GLU A 72 17.126 2.757 20.660 1.00 11.80 O +ATOM 542 OE2 GLU A 72 16.272 4.792 20.656 1.00 15.38 O +ATOM 543 N LEU A 73 20.095 4.586 16.516 1.00 6.20 N +ATOM 544 CA LEU A 73 19.888 5.493 15.415 1.00 6.81 C +ATOM 545 C LEU A 73 18.798 4.989 14.485 1.00 6.41 C +ATOM 546 O LEU A 73 17.842 5.661 14.157 1.00 7.21 O +ATOM 547 CB LEU A 73 21.205 5.735 14.668 1.00 7.81 C +ATOM 548 CG LEU A 73 21.135 6.645 13.439 1.00 9.27 C +ATOM 549 CD1 LEU A 73 22.568 7.257 13.202 1.00 11.59 C +ATOM 550 CD2 LEU A 73 20.711 5.956 12.194 1.00 9.63 C +ATOM 551 N LEU A 74 18.916 3.696 14.105 1.00 6.58 N +ATOM 552 CA LEU A 74 17.913 3.098 13.254 1.00 6.37 C +ATOM 553 C LEU A 74 16.530 3.145 13.893 1.00 6.68 C +ATOM 554 O LEU A 74 15.544 3.393 13.217 1.00 7.51 O +ATOM 555 CB LEU A 74 18.325 1.656 12.926 1.00 7.56 C +ATOM 556 CG LEU A 74 17.370 0.879 12.041 1.00 7.42 C +ATOM 557 CD1 LEU A 74 17.145 1.482 10.669 1.00 9.32 C +ATOM 558 CD2 LEU A 74 17.804 -0.590 11.916 1.00 9.95 C +ATOM 559 N ALA A 75 16.460 2.868 15.204 1.00 6.86 N +ATOM 560 CA ALA A 75 15.196 2.894 15.915 1.00 7.56 C +ATOM 561 C ALA A 75 14.464 4.196 15.801 1.00 7.18 C +ATOM 562 O ALA A 75 13.236 4.195 15.898 1.00 8.48 O +ATOM 563 CB ALA A 75 15.458 2.581 17.404 1.00 8.25 C +ATOM 564 N GLN A 76 15.127 5.330 15.547 1.00 7.39 N +ATOM 565 CA GLN A 76 14.441 6.581 15.417 1.00 7.63 C +ATOM 566 C GLN A 76 13.565 6.604 14.197 1.00 7.88 C +ATOM 567 O GLN A 76 12.653 7.452 14.118 1.00 11.04 O +ATOM 568 CB GLN A 76 15.459 7.751 15.333 1.00 8.27 C +ATOM 569 CG GLN A 76 16.419 7.841 16.474 1.00 9.09 C +ATOM 570 CD GLN A 76 15.801 7.718 17.804 1.00 9.19 C +ATOM 571 OE1 GLN A 76 14.983 8.587 18.182 1.00 11.73 O +ATOM 572 NE2 GLN A 76 16.120 6.657 18.536 1.00 9.64 N +ATOM 573 N TYR A 77 13.759 5.720 13.258 1.00 7.65 N +ATOM 574 CA TYR A 77 13.045 5.669 11.996 1.00 7.67 C +ATOM 575 C TYR A 77 11.988 4.583 11.956 1.00 8.29 C +ATOM 576 O TYR A 77 11.382 4.340 10.938 1.00 8.54 O +ATOM 577 CB TYR A 77 14.061 5.527 10.853 1.00 7.28 C +ATOM 578 CG TYR A 77 14.984 6.723 10.759 1.00 7.91 C +ATOM 579 CD1 TYR A 77 14.655 7.854 10.091 1.00 9.04 C +ATOM 580 CD2 TYR A 77 16.224 6.692 11.382 1.00 7.92 C +ATOM 581 CE1 TYR A 77 15.481 8.953 10.071 1.00 9.61 C +ATOM 582 CE2 TYR A 77 17.073 7.775 11.362 1.00 8.88 C +ATOM 583 CZ TYR A 77 16.700 8.900 10.705 1.00 7.97 C +ATOM 584 OH TYR A 77 17.571 9.993 10.675 1.00 9.51 O +ATOM 585 N LYS A 78 11.739 3.900 13.095 1.00 8.41 N +ATOM 586 CA LYS A 78 10.757 2.794 13.111 1.00 8.24 C +ATOM 587 C LYS A 78 9.379 3.324 12.815 1.00 9.66 C +ATOM 588 O LYS A 78 8.944 4.354 13.366 1.00 10.76 O +ATOM 589 CB LYS A 78 10.775 2.128 14.474 1.00 9.62 C +ATOM 590 CG LYS A 78 9.835 0.926 14.524 1.00 11.31 C +ATOM 591 CD LYS A 78 9.930 0.150 15.848 1.00 12.60 C +ATOM 592 CE LYS A 78 8.857 -0.917 15.874 1.00 15.57 C +ATOM 593 NZ LYS A 78 8.861 -1.661 17.210 1.00 16.15 N +ATOM 594 N ILE A 79 8.648 2.625 11.962 1.00 9.08 N +ATOM 595 CA ILE A 79 7.248 2.914 11.631 1.00 10.12 C +ATOM 596 C ILE A 79 6.299 1.796 11.974 1.00 10.46 C +ATOM 597 O ILE A 79 5.084 2.012 11.997 1.00 12.94 O +ATOM 598 CB ILE A 79 7.066 3.352 10.180 1.00 11.54 C +ATOM 599 CG1 ILE A 79 7.517 2.308 9.184 1.00 11.67 C +ATOM 600 CG2 ILE A 79 7.756 4.730 9.955 1.00 12.85 C +ATOM 601 CD1 ILE A 79 7.088 2.647 7.755 1.00 12.21 C +ATOM 602 N GLY A 80 6.775 0.586 12.258 1.00 10.35 N +ATOM 603 CA GLY A 80 5.898 -0.518 12.567 1.00 11.52 C +ATOM 604 C GLY A 80 6.627 -1.829 12.495 1.00 11.03 C +ATOM 605 O GLY A 80 7.839 -1.874 12.683 1.00 10.48 O +ATOM 606 N GLU A 81 5.864 -2.897 12.246 1.00 12.09 N +ATOM 607 CA GLU A 81 6.355 -4.225 12.267 1.00 12.88 C +ATOM 608 C GLU A 81 5.786 -5.035 11.138 1.00 12.91 C +ATOM 609 O GLU A 81 4.730 -4.700 10.608 1.00 14.10 O +ATOM 610 CB GLU A 81 6.104 -4.883 13.645 1.00 14.97 C +ATOM 611 CG GLU A 81 6.760 -4.121 14.751 1.00 16.03 C +ATOM 612 CD GLU A 81 6.672 -4.676 16.148 1.00 20.41 C +ATOM 613 OE1 GLU A 81 6.080 -5.788 16.346 1.00 25.35 O +ATOM 614 OE2 GLU A 81 7.169 -3.982 17.089 1.00 24.09 O +ATOM 615 N LEU A 82 6.410 -6.157 10.826 1.00 14.85 N +ATOM 616 CA LEU A 82 5.894 -7.196 9.940 1.00 17.68 C +ATOM 617 C LEU A 82 5.044 -8.139 10.810 1.00 21.87 C +ATOM 618 O LEU A 82 5.312 -8.365 11.987 1.00 23.22 O +ATOM 619 CB LEU A 82 7.036 -8.033 9.393 1.00 18.42 C +ATOM 620 CG LEU A 82 8.014 -7.304 8.481 1.00 17.87 C +ATOM 621 CD1 LEU A 82 9.156 -8.196 8.134 1.00 20.44 C +ATOM 622 CD2 LEU A 82 7.369 -6.837 7.330 1.00 21.70 C +ATOM 623 OXT LEU A 82 4.164 -8.746 10.255 1.00 29.03 O Added: SwiftApps/modFTdock/input/1oxn-1.pdb =================================================================== --- SwiftApps/modFTdock/input/1oxn-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/1oxn-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,788 @@ +ATOM 1 N ALA A 71 -2.567 77.643 -18.391 1.00 70.98 N +ATOM 2 CA ALA A 71 -1.956 76.920 -17.237 1.00 70.96 C +ATOM 3 C ALA A 71 -2.480 77.433 -15.896 1.00 69.43 C +ATOM 4 O ALA A 71 -2.650 78.645 -15.705 1.00 72.31 O +ATOM 5 CB ALA A 71 -0.431 77.026 -17.288 1.00 71.72 C +ATOM 6 N GLY A 72 -2.758 76.500 -14.985 1.00 64.45 N +ATOM 7 CA GLY A 72 -3.066 76.828 -13.602 1.00 57.13 C +ATOM 8 C GLY A 72 -4.524 76.882 -13.172 1.00 48.71 C +ATOM 9 O GLY A 72 -5.278 77.779 -13.564 1.00 46.06 O +ATOM 10 N ALA A 73 -4.908 75.920 -12.334 1.00 41.67 N +ATOM 11 CA ALA A 73 -6.179 75.964 -11.621 1.00 33.30 C +ATOM 12 C ALA A 73 -6.146 77.120 -10.642 1.00 29.33 C +ATOM 13 O ALA A 73 -5.084 77.568 -10.245 1.00 26.84 O +ATOM 14 CB ALA A 73 -6.401 74.680 -10.874 1.00 29.87 C +ATOM 15 N THR A 74 -7.316 77.591 -10.251 1.00 31.35 N +ATOM 16 CA THR A 74 -7.428 78.676 -9.287 1.00 34.41 C +ATOM 17 C THR A 74 -7.970 78.172 -7.944 1.00 31.70 C +ATOM 18 O THR A 74 -8.893 77.344 -7.883 1.00 27.28 O +ATOM 19 CB THR A 74 -8.342 79.796 -9.855 1.00 37.50 C +ATOM 20 OG1 THR A 74 -7.889 80.159 -11.160 1.00 42.14 O +ATOM 21 CG2 THR A 74 -8.164 81.091 -9.080 1.00 42.39 C +ATOM 22 N LEU A 75 -7.383 78.693 -6.875 1.00 27.58 N +ATOM 23 CA LEU A 75 -7.902 78.534 -5.536 1.00 29.62 C +ATOM 24 C LEU A 75 -9.330 79.027 -5.514 1.00 30.04 C +ATOM 25 O LEU A 75 -9.614 80.128 -5.989 1.00 32.48 O +ATOM 26 CB LEU A 75 -7.070 79.371 -4.578 1.00 32.24 C +ATOM 27 CG LEU A 75 -6.639 78.781 -3.245 1.00 37.39 C +ATOM 28 CD1 LEU A 75 -5.946 77.457 -3.419 1.00 37.07 C +ATOM 29 CD2 LEU A 75 -5.713 79.764 -2.578 1.00 38.68 C +ATOM 30 N SER A 76 -10.232 78.205 -4.989 1.00 27.62 N +ATOM 31 CA SER A 76 -11.620 78.607 -4.846 1.00 31.25 C +ATOM 32 C SER A 76 -11.719 79.668 -3.770 1.00 29.29 C +ATOM 33 O SER A 76 -10.929 79.678 -2.826 1.00 28.69 O +ATOM 34 CB SER A 76 -12.507 77.413 -4.499 1.00 32.24 C +ATOM 35 OG SER A 76 -12.464 76.462 -5.542 1.00 36.45 O +ATOM 36 N ARG A 77 -12.692 80.557 -3.918 1.00 29.49 N +ATOM 37 CA ARG A 77 -12.823 81.703 -3.026 1.00 36.15 C +ATOM 38 C ARG A 77 -13.744 81.448 -1.838 1.00 35.12 C +ATOM 39 O ARG A 77 -13.746 82.216 -0.889 1.00 36.76 O +ATOM 40 CB ARG A 77 -13.294 82.933 -3.810 1.00 43.31 C +ATOM 41 CG ARG A 77 -12.240 83.503 -4.763 1.00 50.53 C +ATOM 42 CD ARG A 77 -12.644 84.809 -5.426 1.00 60.54 C +ATOM 43 NE ARG A 77 -12.183 85.968 -4.658 1.00 71.19 N +ATOM 44 CZ ARG A 77 -12.895 86.599 -3.717 1.00 76.88 C +ATOM 45 NH1 ARG A 77 -14.125 86.198 -3.410 1.00 76.43 N +ATOM 46 NH2 ARG A 77 -12.371 87.644 -3.080 1.00 79.41 N +ATOM 47 N GLY A 78 -14.520 80.369 -1.888 1.00 35.35 N +ATOM 48 CA GLY A 78 -15.494 80.092 -0.848 1.00 33.49 C +ATOM 49 C GLY A 78 -14.838 79.602 0.425 1.00 33.74 C +ATOM 50 O GLY A 78 -14.029 78.684 0.372 1.00 34.99 O +ATOM 51 N PRO A 79 -15.158 80.218 1.566 1.00 34.11 N +ATOM 52 CA PRO A 79 -14.691 79.712 2.863 1.00 32.27 C +ATOM 53 C PRO A 79 -15.149 78.273 3.081 1.00 27.81 C +ATOM 54 O PRO A 79 -16.254 77.918 2.663 1.00 27.74 O +ATOM 55 CB PRO A 79 -15.374 80.647 3.866 1.00 33.50 C +ATOM 56 CG PRO A 79 -15.585 81.917 3.092 1.00 34.22 C +ATOM 57 CD PRO A 79 -15.958 81.448 1.711 1.00 34.18 C +ATOM 58 N ALA A 80 -14.308 77.456 3.707 1.00 23.49 N +ATOM 59 CA ALA A 80 -14.680 76.085 4.033 1.00 26.44 C +ATOM 60 C ALA A 80 -15.929 76.056 4.937 1.00 30.08 C +ATOM 61 O ALA A 80 -16.777 75.163 4.822 1.00 26.95 O +ATOM 62 CB ALA A 80 -13.545 75.389 4.695 1.00 24.02 C +ATOM 63 N PHE A 81 -16.035 77.054 5.812 1.00 26.72 N +ATOM 64 CA PHE A 81 -17.143 77.161 6.755 1.00 30.46 C +ATOM 65 C PHE A 81 -17.491 78.646 6.931 1.00 31.68 C +ATOM 66 O PHE A 81 -17.029 79.281 7.878 1.00 34.42 O +ATOM 67 CB PHE A 81 -16.738 76.519 8.087 1.00 30.95 C +ATOM 68 CG PHE A 81 -17.871 76.336 9.069 1.00 32.85 C +ATOM 69 CD1 PHE A 81 -19.160 76.775 8.787 1.00 31.27 C +ATOM 70 CD2 PHE A 81 -17.634 75.710 10.289 1.00 33.94 C +ATOM 71 CE1 PHE A 81 -20.186 76.603 9.703 1.00 32.36 C +ATOM 72 CE2 PHE A 81 -18.655 75.533 11.210 1.00 34.63 C +ATOM 73 CZ PHE A 81 -19.938 75.986 10.914 1.00 35.44 C +ATOM 74 N PRO A 82 -18.299 79.190 6.015 1.00 31.46 N +ATOM 75 CA PRO A 82 -18.622 80.627 5.996 1.00 30.38 C +ATOM 76 C PRO A 82 -19.232 81.162 7.292 1.00 34.43 C +ATOM 77 O PRO A 82 -18.969 82.315 7.625 1.00 34.35 O +ATOM 78 CB PRO A 82 -19.627 80.752 4.839 1.00 29.76 C +ATOM 79 CG PRO A 82 -19.337 79.569 3.962 1.00 31.45 C +ATOM 80 CD PRO A 82 -18.944 78.463 4.901 1.00 29.63 C +ATOM 81 N GLY A 83 -20.016 80.345 7.997 1.00 35.38 N +ATOM 82 CA GLY A 83 -20.616 80.739 9.263 1.00 37.33 C +ATOM 83 C GLY A 83 -19.581 81.088 10.320 1.00 37.94 C +ATOM 84 O GLY A 83 -19.761 82.019 11.115 1.00 41.84 O +ATOM 85 N MET A 84 -18.479 80.347 10.315 1.00 34.86 N +ATOM 86 CA MET A 84 -17.367 80.620 11.214 1.00 30.83 C +ATOM 87 C MET A 84 -16.475 81.743 10.670 1.00 30.57 C +ATOM 88 O MET A 84 -15.359 81.935 11.136 1.00 30.70 O +ATOM 89 CB MET A 84 -16.572 79.340 11.472 1.00 28.57 C +ATOM 90 CG MET A 84 -17.121 78.469 12.574 1.00 30.95 C +ATOM 91 SD MET A 84 -17.358 79.391 14.121 1.00 35.81 S +ATOM 92 CE MET A 84 -18.028 78.126 15.187 1.00 32.39 C +ATOM 93 N GLY A 85 -16.991 82.481 9.687 1.00 30.60 N +ATOM 94 CA GLY A 85 -16.331 83.658 9.150 1.00 35.22 C +ATOM 95 C GLY A 85 -16.239 84.811 10.135 1.00 39.50 C +ATOM 96 O GLY A 85 -15.500 85.766 9.911 1.00 38.91 O +ATOM 97 N SER A 86 -16.992 84.720 11.227 1.00 39.59 N +ATOM 98 CA SER A 86 -16.999 85.766 12.231 1.00 40.38 C +ATOM 99 C SER A 86 -16.066 85.405 13.369 1.00 38.80 C +ATOM 100 O SER A 86 -16.198 84.338 13.982 1.00 39.34 O +ATOM 101 CB SER A 86 -18.417 86.008 12.750 1.00 44.92 C +ATOM 102 OG SER A 86 -18.394 86.433 14.103 1.00 48.85 O +ATOM 103 N GLU A 87 -15.124 86.302 13.652 1.00 38.09 N +ATOM 104 CA GLU A 87 -14.213 86.118 14.776 1.00 37.63 C +ATOM 105 C GLU A 87 -14.977 85.925 16.077 1.00 30.20 C +ATOM 106 O GLU A 87 -14.633 85.061 16.874 1.00 30.58 O +ATOM 107 CB GLU A 87 -13.243 87.296 14.910 1.00 40.86 C +ATOM 108 CG GLU A 87 -12.054 86.975 15.805 1.00 44.46 C +ATOM 109 CD GLU A 87 -11.068 88.125 15.939 1.00 46.90 C +ATOM 110 OE1 GLU A 87 -10.847 88.858 14.948 1.00 47.39 O +ATOM 111 OE2 GLU A 87 -10.509 88.284 17.045 1.00 45.88 O +ATOM 112 N GLU A 88 -16.024 86.724 16.267 1.00 33.98 N +ATOM 113 CA GLU A 88 -16.874 86.643 17.449 1.00 38.81 C +ATOM 114 C GLU A 88 -17.456 85.237 17.600 1.00 35.39 C +ATOM 115 O GLU A 88 -17.398 84.645 18.676 1.00 36.70 O +ATOM 116 CB GLU A 88 -17.984 87.695 17.358 1.00 49.13 C +ATOM 117 CG GLU A 88 -18.984 87.657 18.503 1.00 58.94 C +ATOM 118 CD GLU A 88 -18.639 88.613 19.628 1.00 65.00 C +ATOM 119 OE1 GLU A 88 -17.474 89.074 19.706 1.00 68.24 O +ATOM 120 OE2 GLU A 88 -19.540 88.900 20.442 1.00 67.47 O +ATOM 121 N LEU A 89 -17.982 84.697 16.502 1.00 32.75 N +ATOM 122 CA LEU A 89 -18.523 83.344 16.498 1.00 32.00 C +ATOM 123 C LEU A 89 -17.421 82.309 16.683 1.00 32.16 C +ATOM 124 O LEU A 89 -17.608 81.317 17.389 1.00 33.07 O +ATOM 125 CB LEU A 89 -19.353 83.081 15.226 1.00 33.89 C +ATOM 126 CG LEU A 89 -20.566 84.005 14.980 1.00 33.41 C +ATOM 127 CD1 LEU A 89 -21.401 83.607 13.748 1.00 28.62 C +ATOM 128 CD2 LEU A 89 -21.453 84.107 16.214 1.00 34.54 C +ATOM 129 N ARG A 90 -16.259 82.548 16.078 1.00 31.25 N +ATOM 130 CA ARG A 90 -15.125 81.645 16.266 1.00 30.74 C +ATOM 131 C ARG A 90 -14.713 81.610 17.732 1.00 27.65 C +ATOM 132 O ARG A 90 -14.409 80.556 18.275 1.00 31.09 O +ATOM 133 CB ARG A 90 -13.945 82.080 15.404 1.00 32.48 C +ATOM 134 CG ARG A 90 -14.105 81.726 13.943 1.00 35.39 C +ATOM 135 CD ARG A 90 -12.806 81.734 13.159 1.00 34.13 C +ATOM 136 NE ARG A 90 -12.119 83.022 13.211 1.00 30.94 N +ATOM 137 CZ ARG A 90 -12.401 84.070 12.445 1.00 36.68 C +ATOM 138 NH1 ARG A 90 -13.386 84.024 11.555 1.00 34.30 N +ATOM 139 NH2 ARG A 90 -11.700 85.189 12.585 1.00 38.83 N +ATOM 140 N LEU A 91 -14.711 82.779 18.366 1.00 31.36 N +ATOM 141 CA LEU A 91 -14.414 82.899 19.790 1.00 35.66 C +ATOM 142 C LEU A 91 -15.378 82.089 20.659 1.00 33.26 C +ATOM 143 O LEU A 91 -14.954 81.446 21.618 1.00 34.37 O +ATOM 144 CB LEU A 91 -14.438 84.373 20.208 1.00 42.03 C +ATOM 145 CG LEU A 91 -13.154 84.989 20.765 1.00 46.30 C +ATOM 146 CD1 LEU A 91 -13.513 86.097 21.744 1.00 48.34 C +ATOM 147 CD2 LEU A 91 -12.252 83.944 21.430 1.00 46.83 C +ATOM 148 N ALA A 92 -16.666 82.104 20.311 1.00 30.85 N +ATOM 149 CA ALA A 92 -17.660 81.323 21.049 1.00 30.54 C +ATOM 150 C ALA A 92 -17.346 79.825 21.037 1.00 32.69 C +ATOM 151 O ALA A 92 -17.597 79.130 22.024 1.00 31.25 O +ATOM 152 CB ALA A 92 -19.074 81.587 20.511 1.00 31.59 C +ATOM 153 N SER A 93 -16.788 79.329 19.930 1.00 33.39 N +ATOM 154 CA SER A 93 -16.453 77.902 19.821 1.00 34.97 C +ATOM 155 C SER A 93 -15.445 77.440 20.884 1.00 34.14 C +ATOM 156 O SER A 93 -15.371 76.253 21.220 1.00 35.94 O +ATOM 157 CB SER A 93 -15.953 77.557 18.407 1.00 32.44 C +ATOM 158 OG SER A 93 -14.727 78.222 18.113 1.00 33.95 O +ATOM 159 N PHE A 94 -14.687 78.390 21.416 1.00 35.68 N +ATOM 160 CA PHE A 94 -13.657 78.099 22.407 1.00 41.01 C +ATOM 161 C PHE A 94 -14.182 78.148 23.844 1.00 45.77 C +ATOM 162 O PHE A 94 -13.398 78.241 24.793 1.00 46.07 O +ATOM 163 CB PHE A 94 -12.494 79.078 22.242 1.00 40.20 C +ATOM 164 CG PHE A 94 -11.698 78.869 20.985 1.00 37.27 C +ATOM 165 CD1 PHE A 94 -10.708 77.900 20.928 1.00 36.85 C +ATOM 166 CD2 PHE A 94 -11.937 79.652 19.859 1.00 35.66 C +ATOM 167 CE1 PHE A 94 -9.971 77.713 19.769 1.00 36.25 C +ATOM 168 CE2 PHE A 94 -11.211 79.465 18.695 1.00 37.36 C +ATOM 169 CZ PHE A 94 -10.224 78.489 18.650 1.00 34.50 C +ATOM 170 N TYR A 95 -15.504 78.078 23.998 1.00 45.55 N +ATOM 171 CA TYR A 95 -16.137 78.073 25.319 1.00 48.20 C +ATOM 172 C TYR A 95 -15.643 76.919 26.203 1.00 46.47 C +ATOM 173 O TYR A 95 -15.665 77.011 27.428 1.00 51.71 O +ATOM 174 CB TYR A 95 -17.670 78.034 25.187 1.00 44.84 C +ATOM 175 CG TYR A 95 -18.237 76.639 25.044 1.00 44.57 C +ATOM 176 CD1 TYR A 95 -18.085 75.923 23.854 1.00 43.76 C +ATOM 177 CD2 TYR A 95 -18.909 76.026 26.102 1.00 45.12 C +ATOM 178 CE1 TYR A 95 -18.593 74.641 23.715 1.00 44.32 C +ATOM 179 CE2 TYR A 95 -19.418 74.742 25.974 1.00 46.28 C +ATOM 180 CZ TYR A 95 -19.257 74.055 24.780 1.00 45.87 C +ATOM 181 OH TYR A 95 -19.765 72.786 24.643 1.00 47.07 O +ATOM 182 N ASP A 96 -15.211 75.835 25.574 1.00 42.87 N +ATOM 183 CA ASP A 96 -14.718 74.670 26.298 1.00 44.31 C +ATOM 184 C ASP A 96 -13.264 74.352 25.910 1.00 43.83 C +ATOM 185 O ASP A 96 -12.812 73.205 26.035 1.00 47.33 O +ATOM 186 CB ASP A 96 -15.632 73.471 26.035 1.00 41.63 C +ATOM 187 CG ASP A 96 -15.633 73.050 24.576 1.00 43.38 C +ATOM 188 OD1 ASP A 96 -15.247 73.870 23.715 1.00 44.84 O +ATOM 189 OD2 ASP A 96 -15.998 71.923 24.192 1.00 43.82 O +ATOM 190 N TRP A 97 -12.555 75.370 25.420 1.00 46.23 N +ATOM 191 CA TRP A 97 -11.128 75.279 25.120 1.00 52.83 C +ATOM 192 C TRP A 97 -10.366 74.915 26.403 1.00 57.85 C +ATOM 193 O TRP A 97 -10.373 75.685 27.372 1.00 58.09 O +ATOM 194 CB TRP A 97 -10.627 76.603 24.530 1.00 51.94 C +ATOM 195 CG TRP A 97 -9.198 76.578 24.066 1.00 53.90 C +ATOM 196 CD1 TRP A 97 -8.152 77.270 24.607 1.00 53.73 C +ATOM 197 CD2 TRP A 97 -8.654 75.827 22.969 1.00 53.07 C +ATOM 198 NE1 TRP A 97 -6.994 76.999 23.919 1.00 52.58 N +ATOM 199 CE2 TRP A 97 -7.271 76.118 22.906 1.00 53.17 C +ATOM 200 CE3 TRP A 97 -9.194 74.935 22.032 1.00 49.20 C +ATOM 201 CZ2 TRP A 97 -6.422 75.548 21.944 1.00 53.10 C +ATOM 202 CZ3 TRP A 97 -8.355 74.377 21.074 1.00 49.84 C +ATOM 203 CH2 TRP A 97 -6.981 74.688 21.038 1.00 53.16 C +ATOM 204 N PRO A 98 -9.719 73.745 26.397 1.00 60.65 N +ATOM 205 CA PRO A 98 -9.240 73.089 27.625 1.00 63.94 C +ATOM 206 C PRO A 98 -8.298 73.906 28.506 1.00 67.17 C +ATOM 207 O PRO A 98 -7.558 74.765 28.020 1.00 64.18 O +ATOM 208 CB PRO A 98 -8.503 71.853 27.096 1.00 62.23 C +ATOM 209 CG PRO A 98 -9.097 71.604 25.774 1.00 61.30 C +ATOM 210 CD PRO A 98 -9.377 72.961 25.198 1.00 60.13 C +ATOM 211 N LEU A 99 -8.353 73.617 29.807 1.00 74.11 N +ATOM 212 CA LEU A 99 -7.484 74.228 30.810 1.00 78.75 C +ATOM 213 C LEU A 99 -6.011 73.917 30.527 1.00 80.45 C +ATOM 214 O LEU A 99 -5.153 74.798 30.642 1.00 79.58 O +ATOM 215 CB LEU A 99 -7.869 73.742 32.215 1.00 81.34 C +ATOM 216 CG LEU A 99 -9.305 73.971 32.715 1.00 82.79 C +ATOM 217 CD1 LEU A 99 -10.103 72.667 32.726 1.00 83.01 C +ATOM 218 CD2 LEU A 99 -9.311 74.619 34.099 1.00 82.88 C +ATOM 219 N THR A 100 -5.739 72.666 30.143 1.00 83.50 N +ATOM 220 CA THR A 100 -4.387 72.205 29.802 1.00 84.66 C +ATOM 221 C THR A 100 -3.860 72.802 28.494 1.00 86.12 C +ATOM 222 O THR A 100 -2.646 72.834 28.276 1.00 87.73 O +ATOM 223 CB THR A 100 -4.312 70.654 29.737 1.00 84.55 C +ATOM 224 OG1 THR A 100 -5.246 70.160 28.769 1.00 84.30 O +ATOM 225 CG2 THR A 100 -4.777 70.023 31.047 1.00 84.64 C +ATOM 226 N ALA A 101 -4.768 73.255 27.628 1.00 86.01 N +ATOM 227 CA ALA A 101 -4.394 73.944 26.392 1.00 84.83 C +ATOM 228 C ALA A 101 -3.648 75.233 26.720 1.00 83.44 C +ATOM 229 O ALA A 101 -4.021 75.961 27.642 1.00 83.35 O +ATOM 230 CB ALA A 101 -5.617 74.230 25.538 1.00 85.35 C +ATOM 231 N GLU A 102 -2.597 75.508 25.954 1.00 82.35 N +ATOM 232 CA GLU A 102 -1.614 76.519 26.337 1.00 80.68 C +ATOM 233 C GLU A 102 -1.638 77.791 25.483 1.00 74.41 C +ATOM 234 O GLU A 102 -0.763 78.654 25.621 1.00 73.05 O +ATOM 235 CB GLU A 102 -0.210 75.901 26.341 1.00 85.55 C +ATOM 236 CG GLU A 102 -0.057 74.664 27.220 1.00 89.66 C +ATOM 237 CD GLU A 102 0.888 73.627 26.633 1.00 92.11 C +ATOM 238 OE1 GLU A 102 2.100 73.919 26.518 1.00 92.38 O +ATOM 239 OE2 GLU A 102 0.420 72.517 26.293 1.00 92.98 O +ATOM 240 N VAL A 103 -2.643 77.906 24.617 1.00 67.22 N +ATOM 241 CA VAL A 103 -2.764 79.048 23.708 1.00 60.22 C +ATOM 242 C VAL A 103 -4.104 79.770 23.935 1.00 58.64 C +ATOM 243 O VAL A 103 -5.131 79.119 24.132 1.00 59.26 O +ATOM 244 CB VAL A 103 -2.566 78.599 22.225 1.00 56.90 C +ATOM 245 CG1 VAL A 103 -2.781 79.741 21.238 1.00 53.08 C +ATOM 246 CG2 VAL A 103 -1.177 77.998 22.031 1.00 55.92 C +ATOM 247 N PRO A 104 -4.092 81.106 23.928 1.00 57.80 N +ATOM 248 CA PRO A 104 -5.307 81.894 24.169 1.00 57.52 C +ATOM 249 C PRO A 104 -6.289 81.857 22.994 1.00 57.91 C +ATOM 250 O PRO A 104 -5.899 82.195 21.868 1.00 57.70 O +ATOM 251 CB PRO A 104 -4.775 83.325 24.350 1.00 55.12 C +ATOM 252 CG PRO A 104 -3.299 83.192 24.476 1.00 58.42 C +ATOM 253 CD PRO A 104 -2.924 81.974 23.702 1.00 58.17 C +ATOM 254 N PRO A 105 -7.540 81.467 23.257 1.00 57.76 N +ATOM 255 CA PRO A 105 -8.581 81.417 22.222 1.00 54.54 C +ATOM 256 C PRO A 105 -8.643 82.672 21.364 1.00 52.71 C +ATOM 257 O PRO A 105 -8.816 82.553 20.149 1.00 51.25 O +ATOM 258 CB PRO A 105 -9.862 81.264 23.038 1.00 55.76 C +ATOM 259 CG PRO A 105 -9.437 80.498 24.223 1.00 56.61 C +ATOM 260 CD PRO A 105 -8.057 81.014 24.564 1.00 56.70 C +ATOM 261 N GLU A 106 -8.484 83.843 21.981 1.00 50.50 N +ATOM 262 CA GLU A 106 -8.522 85.116 21.262 1.00 49.70 C +ATOM 263 C GLU A 106 -7.515 85.155 20.125 1.00 48.03 C +ATOM 264 O GLU A 106 -7.802 85.700 19.066 1.00 52.33 O +ATOM 265 CB GLU A 106 -8.273 86.304 22.202 1.00 55.47 C +ATOM 266 CG GLU A 106 -9.206 86.374 23.403 1.00 59.02 C +ATOM 267 CD GLU A 106 -8.636 85.680 24.628 1.00 61.31 C +ATOM 268 OE1 GLU A 106 -8.446 84.442 24.588 1.00 58.30 O +ATOM 269 OE2 GLU A 106 -8.384 86.374 25.639 1.00 66.10 O +ATOM 270 N LEU A 107 -6.337 84.583 20.348 1.00 44.62 N +ATOM 271 CA LEU A 107 -5.300 84.551 19.320 1.00 45.09 C +ATOM 272 C LEU A 107 -5.674 83.555 18.233 1.00 40.60 C +ATOM 273 O LEU A 107 -5.458 83.802 17.047 1.00 39.88 O +ATOM 274 CB LEU A 107 -3.940 84.173 19.922 1.00 45.70 C +ATOM 275 CG LEU A 107 -3.159 85.204 20.744 1.00 48.51 C +ATOM 276 CD1 LEU A 107 -1.853 84.577 21.223 1.00 50.19 C +ATOM 277 CD2 LEU A 107 -2.880 86.478 19.956 1.00 48.73 C +ATOM 278 N LEU A 108 -6.233 82.427 18.656 1.00 39.74 N +ATOM 279 CA LEU A 108 -6.680 81.400 17.731 1.00 40.02 C +ATOM 280 C LEU A 108 -7.821 81.916 16.863 1.00 35.46 C +ATOM 281 O LEU A 108 -7.753 81.811 15.645 1.00 34.88 O +ATOM 282 CB LEU A 108 -7.080 80.134 18.482 1.00 37.07 C +ATOM 283 CG LEU A 108 -5.908 79.367 19.077 1.00 36.89 C +ATOM 284 CD1 LEU A 108 -6.368 78.581 20.275 1.00 36.79 C +ATOM 285 CD2 LEU A 108 -5.282 78.447 18.044 1.00 37.00 C +ATOM 286 N ALA A 109 -8.835 82.512 17.494 1.00 34.91 N +ATOM 287 CA ALA A 109 -9.992 83.057 16.781 1.00 34.52 C +ATOM 288 C ALA A 109 -9.585 84.175 15.843 1.00 35.41 C +ATOM 289 O ALA A 109 -10.105 84.292 14.728 1.00 33.48 O +ATOM 290 CB ALA A 109 -11.057 83.543 17.760 1.00 34.67 C +ATOM 291 N ALA A 110 -8.640 84.993 16.293 1.00 37.22 N +ATOM 292 CA ALA A 110 -8.129 86.069 15.458 1.00 36.78 C +ATOM 293 C ALA A 110 -7.453 85.495 14.217 1.00 32.95 C +ATOM 294 O ALA A 110 -7.616 86.028 13.123 1.00 34.07 O +ATOM 295 CB ALA A 110 -7.169 86.968 16.246 1.00 37.54 C +ATOM 296 N ALA A 111 -6.714 84.399 14.397 1.00 34.22 N +ATOM 297 CA ALA A 111 -6.001 83.756 13.286 1.00 36.51 C +ATOM 298 C ALA A 111 -6.903 82.871 12.396 1.00 37.40 C +ATOM 299 O ALA A 111 -6.404 82.133 11.544 1.00 35.15 O +ATOM 300 CB ALA A 111 -4.792 82.973 13.800 1.00 31.04 C +ATOM 301 N GLY A 112 -8.219 82.958 12.600 1.00 34.37 N +ATOM 302 CA GLY A 112 -9.189 82.317 11.726 1.00 33.29 C +ATOM 303 C GLY A 112 -9.620 80.946 12.199 1.00 32.87 C +ATOM 304 O GLY A 112 -10.452 80.298 11.568 1.00 29.47 O +ATOM 305 N PHE A 113 -9.057 80.503 13.316 1.00 30.73 N +ATOM 306 CA PHE A 113 -9.341 79.181 13.811 1.00 29.63 C +ATOM 307 C PHE A 113 -10.559 79.191 14.707 1.00 32.18 C +ATOM 308 O PHE A 113 -10.809 80.154 15.446 1.00 30.40 O +ATOM 309 CB PHE A 113 -8.161 78.628 14.589 1.00 29.73 C +ATOM 310 CG PHE A 113 -6.933 78.429 13.766 1.00 32.97 C +ATOM 311 CD1 PHE A 113 -6.898 77.458 12.771 1.00 29.93 C +ATOM 312 CD2 PHE A 113 -5.798 79.211 13.999 1.00 32.92 C +ATOM 313 CE1 PHE A 113 -5.748 77.270 12.016 1.00 33.16 C +ATOM 314 CE2 PHE A 113 -4.653 79.031 13.257 1.00 34.46 C +ATOM 315 CZ PHE A 113 -4.627 78.059 12.258 1.00 32.05 C +ATOM 316 N PHE A 114 -11.305 78.098 14.640 1.00 26.70 N +ATOM 317 CA PHE A 114 -12.390 77.854 15.567 1.00 26.98 C +ATOM 318 C PHE A 114 -12.148 76.475 16.134 1.00 29.80 C +ATOM 319 O PHE A 114 -11.497 75.648 15.508 1.00 28.96 O +ATOM 320 CB PHE A 114 -13.760 77.957 14.874 1.00 28.70 C +ATOM 321 CG PHE A 114 -14.008 76.896 13.834 1.00 31.12 C +ATOM 322 CD1 PHE A 114 -13.576 77.066 12.531 1.00 29.97 C +ATOM 323 CD2 PHE A 114 -14.682 75.731 14.162 1.00 32.87 C +ATOM 324 CE1 PHE A 114 -13.800 76.089 11.580 1.00 27.14 C +ATOM 325 CE2 PHE A 114 -14.915 74.761 13.210 1.00 30.94 C +ATOM 326 CZ PHE A 114 -14.467 74.941 11.921 1.00 30.24 C +ATOM 327 N HIS A 115 -12.671 76.243 17.326 1.00 31.85 N +ATOM 328 CA HIS A 115 -12.467 75.004 18.048 1.00 32.29 C +ATOM 329 C HIS A 115 -13.460 73.937 17.589 1.00 33.06 C +ATOM 330 O HIS A 115 -14.644 74.220 17.428 1.00 34.37 O +ATOM 331 CB HIS A 115 -12.639 75.302 19.545 1.00 32.40 C +ATOM 332 CG HIS A 115 -12.451 74.120 20.438 1.00 32.68 C +ATOM 333 ND1 HIS A 115 -13.199 73.931 21.580 1.00 36.25 N +ATOM 334 CD2 HIS A 115 -11.590 73.079 20.375 1.00 33.48 C +ATOM 335 CE1 HIS A 115 -12.816 72.815 22.174 1.00 37.61 C +ATOM 336 NE2 HIS A 115 -11.845 72.275 21.459 1.00 38.73 N +ATOM 337 N THR A 116 -12.963 72.724 17.350 1.00 37.95 N +ATOM 338 CA THR A 116 -13.809 71.560 17.068 1.00 42.93 C +ATOM 339 C THR A 116 -13.422 70.456 18.033 1.00 46.21 C +ATOM 340 O THR A 116 -12.273 70.393 18.477 1.00 47.19 O +ATOM 341 CB THR A 116 -13.604 71.004 15.641 1.00 43.08 C +ATOM 342 OG1 THR A 116 -12.250 70.560 15.495 1.00 45.65 O +ATOM 343 CG2 THR A 116 -13.749 72.071 14.586 1.00 44.77 C +ATOM 344 N GLY A 117 -14.366 69.563 18.318 1.00 47.97 N +ATOM 345 CA GLY A 117 -14.139 68.486 19.264 1.00 47.46 C +ATOM 346 C GLY A 117 -14.083 69.025 20.679 1.00 49.41 C +ATOM 347 O GLY A 117 -14.542 70.138 20.955 1.00 46.59 O +ATOM 348 N HIS A 118 -13.508 68.243 21.582 1.00 53.17 N +ATOM 349 CA HIS A 118 -13.476 68.633 22.984 1.00 58.26 C +ATOM 350 C HIS A 118 -12.055 68.742 23.534 1.00 58.80 C +ATOM 351 O HIS A 118 -11.850 69.290 24.623 1.00 58.80 O +ATOM 352 CB HIS A 118 -14.365 67.705 23.823 1.00 62.88 C +ATOM 353 CG HIS A 118 -15.834 67.890 23.568 1.00 66.09 C +ATOM 354 ND1 HIS A 118 -16.547 68.964 24.059 1.00 67.10 N +ATOM 355 CD2 HIS A 118 -16.718 67.144 22.863 1.00 67.14 C +ATOM 356 CE1 HIS A 118 -17.808 68.866 23.677 1.00 66.56 C +ATOM 357 NE2 HIS A 118 -17.938 67.772 22.949 1.00 66.94 N +ATOM 358 N GLN A 119 -11.084 68.240 22.765 1.00 58.04 N +ATOM 359 CA GLN A 119 -9.665 68.425 23.068 1.00 53.70 C +ATOM 360 C GLN A 119 -9.210 69.794 22.573 1.00 48.68 C +ATOM 361 O GLN A 119 -9.894 70.801 22.768 1.00 46.10 O +ATOM 362 CB GLN A 119 -8.815 67.331 22.419 1.00 58.85 C +ATOM 363 CG GLN A 119 -8.954 65.957 23.035 1.00 66.25 C +ATOM 364 CD GLN A 119 -9.203 64.887 21.989 1.00 71.26 C +ATOM 365 OE1 GLN A 119 -8.301 64.535 21.221 1.00 73.15 O +ATOM 366 NE2 GLN A 119 -10.430 64.373 21.949 1.00 72.95 N +ATOM 367 N ASP A 120 -8.060 69.836 21.912 1.00 45.23 N +ATOM 368 CA ASP A 120 -7.513 71.113 21.481 1.00 46.23 C +ATOM 369 C ASP A 120 -7.405 71.273 19.961 1.00 44.29 C +ATOM 370 O ASP A 120 -6.598 72.062 19.471 1.00 42.43 O +ATOM 371 CB ASP A 120 -6.177 71.392 22.187 1.00 48.04 C +ATOM 372 CG ASP A 120 -5.007 70.642 21.567 1.00 51.84 C +ATOM 373 OD1 ASP A 120 -5.159 69.455 21.167 1.00 50.78 O +ATOM 374 OD2 ASP A 120 -3.891 71.186 21.445 1.00 52.27 O +ATOM 375 N LYS A 121 -8.242 70.548 19.223 1.00 42.73 N +ATOM 376 CA LYS A 121 -8.244 70.648 17.760 1.00 38.31 C +ATOM 377 C LYS A 121 -8.943 71.911 17.294 1.00 36.46 C +ATOM 378 O LYS A 121 -9.973 72.294 17.841 1.00 36.15 O +ATOM 379 CB LYS A 121 -8.892 69.420 17.114 1.00 38.04 C +ATOM 380 CG LYS A 121 -8.346 68.117 17.629 1.00 35.64 C +ATOM 381 CD LYS A 121 -8.808 66.939 16.810 1.00 37.46 C +ATOM 382 CE LYS A 121 -8.008 65.720 17.204 1.00 40.39 C +ATOM 383 NZ LYS A 121 -8.856 64.513 17.303 1.00 48.21 N +ATOM 384 N VAL A 122 -8.351 72.571 16.300 1.00 36.30 N +ATOM 385 CA VAL A 122 -8.949 73.736 15.666 1.00 30.60 C +ATOM 386 C VAL A 122 -8.906 73.543 14.156 1.00 31.65 C +ATOM 387 O VAL A 122 -8.166 72.699 13.639 1.00 30.24 O +ATOM 388 CB VAL A 122 -8.260 75.095 16.058 1.00 33.69 C +ATOM 389 CG1 VAL A 122 -8.443 75.395 17.523 1.00 36.74 C +ATOM 390 CG2 VAL A 122 -6.779 75.128 15.684 1.00 29.99 C +ATOM 391 N ARG A 123 -9.738 74.296 13.455 1.00 27.71 N +ATOM 392 CA ARG A 123 -9.717 74.305 12.002 1.00 32.07 C +ATOM 393 C ARG A 123 -9.877 75.751 11.604 1.00 28.73 C +ATOM 394 O ARG A 123 -10.527 76.521 12.313 1.00 27.88 O +ATOM 395 CB ARG A 123 -10.814 73.396 11.409 1.00 32.21 C +ATOM 396 CG ARG A 123 -10.895 72.056 12.124 1.00 33.29 C +ATOM 397 CD ARG A 123 -10.979 70.782 11.287 1.00 35.00 C +ATOM 398 NE ARG A 123 -10.056 70.721 10.169 1.00 33.37 N +ATOM 399 CZ ARG A 123 -9.555 69.596 9.663 1.00 30.32 C +ATOM 400 NH1 ARG A 123 -9.846 68.414 10.196 1.00 24.60 N +ATOM 401 NH2 ARG A 123 -8.740 69.656 8.616 1.00 24.09 N +ATOM 402 N CYS A 124 -9.225 76.147 10.520 1.00 24.39 N +ATOM 403 CA CYS A 124 -9.455 77.475 9.994 1.00 25.75 C +ATOM 404 C CYS A 124 -10.779 77.484 9.243 1.00 28.05 C +ATOM 405 O CYS A 124 -11.078 76.564 8.471 1.00 23.32 O +ATOM 406 CB CYS A 124 -8.322 77.922 9.081 1.00 19.46 C +ATOM 407 SG CYS A 124 -8.707 79.424 8.180 1.00 27.80 S +ATOM 408 N PHE A 125 -11.553 78.540 9.467 1.00 29.00 N +ATOM 409 CA PHE A 125 -12.876 78.670 8.881 1.00 26.30 C +ATOM 410 C PHE A 125 -12.791 78.776 7.376 1.00 29.17 C +ATOM 411 O PHE A 125 -13.755 78.469 6.673 1.00 26.53 O +ATOM 412 CB PHE A 125 -13.591 79.893 9.440 1.00 24.61 C +ATOM 413 CG PHE A 125 -13.276 81.170 8.713 1.00 26.22 C +ATOM 414 CD1 PHE A 125 -12.191 81.959 9.104 1.00 28.53 C +ATOM 415 CD2 PHE A 125 -14.051 81.581 7.640 1.00 23.99 C +ATOM 416 CE1 PHE A 125 -11.887 83.134 8.438 1.00 28.38 C +ATOM 417 CE2 PHE A 125 -13.751 82.763 6.949 1.00 27.35 C +ATOM 418 CZ PHE A 125 -12.671 83.545 7.351 1.00 28.48 C +ATOM 419 N PHE A 126 -11.649 79.246 6.883 1.00 30.52 N +ATOM 420 CA PHE A 126 -11.506 79.460 5.454 1.00 29.40 C +ATOM 421 C PHE A 126 -10.880 78.279 4.737 1.00 28.61 C +ATOM 422 O PHE A 126 -11.501 77.715 3.844 1.00 26.27 O +ATOM 423 CB PHE A 126 -10.729 80.727 5.124 1.00 30.93 C +ATOM 424 CG PHE A 126 -10.888 81.139 3.700 1.00 31.85 C +ATOM 425 CD1 PHE A 126 -10.107 80.556 2.709 1.00 31.12 C +ATOM 426 CD2 PHE A 126 -11.865 82.069 3.340 1.00 34.18 C +ATOM 427 CE1 PHE A 126 -10.274 80.901 1.392 1.00 35.16 C +ATOM 428 CE2 PHE A 126 -12.046 82.430 2.016 1.00 34.87 C +ATOM 429 CZ PHE A 126 -11.249 81.843 1.035 1.00 37.73 C +ATOM 430 N CYS A 127 -9.647 77.935 5.111 1.00 23.66 N +ATOM 431 CA CYS A 127 -8.908 76.884 4.416 1.00 28.62 C +ATOM 432 C CYS A 127 -9.162 75.509 5.039 1.00 27.85 C +ATOM 433 O CYS A 127 -8.761 74.490 4.480 1.00 26.05 O +ATOM 434 CB CYS A 127 -7.402 77.190 4.422 1.00 23.97 C +ATOM 435 SG CYS A 127 -6.647 77.031 6.058 1.00 26.83 S +ATOM 436 N TYR A 128 -9.811 75.493 6.204 1.00 26.58 N +ATOM 437 CA TYR A 128 -10.073 74.254 6.949 1.00 25.54 C +ATOM 438 C TYR A 128 -8.831 73.504 7.422 1.00 25.87 C +ATOM 439 O TYR A 128 -8.889 72.313 7.781 1.00 24.79 O +ATOM 440 CB TYR A 128 -10.985 73.315 6.164 1.00 24.60 C +ATOM 441 CG TYR A 128 -11.893 72.557 7.085 1.00 24.46 C +ATOM 442 CD1 TYR A 128 -12.789 73.226 7.908 1.00 22.43 C +ATOM 443 CD2 TYR A 128 -11.829 71.171 7.157 1.00 25.81 C +ATOM 444 CE1 TYR A 128 -13.622 72.519 8.779 1.00 28.39 C +ATOM 445 CE2 TYR A 128 -12.640 70.460 8.022 1.00 28.09 C +ATOM 446 CZ TYR A 128 -13.536 71.137 8.819 1.00 27.55 C +ATOM 447 OH TYR A 128 -14.336 70.421 9.661 1.00 33.56 O +ATOM 448 N GLY A 129 -7.700 74.202 7.433 1.00 29.05 N +ATOM 449 CA GLY A 129 -6.503 73.649 8.034 1.00 22.65 C +ATOM 450 C GLY A 129 -6.787 73.251 9.464 1.00 22.93 C +ATOM 451 O GLY A 129 -7.291 74.053 10.230 1.00 24.43 O +ATOM 452 N GLY A 130 -6.500 72.001 9.804 1.00 25.38 N +ATOM 453 CA GLY A 130 -6.718 71.498 11.139 1.00 27.58 C +ATOM 454 C GLY A 130 -5.421 71.391 11.919 1.00 34.75 C +ATOM 455 O GLY A 130 -4.423 70.818 11.444 1.00 33.79 O +ATOM 456 N LEU A 131 -5.439 71.945 13.127 1.00 34.57 N +ATOM 457 CA LEU A 131 -4.275 71.906 14.003 1.00 34.44 C +ATOM 458 C LEU A 131 -4.666 71.557 15.428 1.00 38.36 C +ATOM 459 O LEU A 131 -5.754 71.923 15.903 1.00 38.73 O +ATOM 460 CB LEU A 131 -3.536 73.246 13.986 1.00 27.59 C +ATOM 461 CG LEU A 131 -2.809 73.638 12.697 1.00 26.63 C +ATOM 462 CD1 LEU A 131 -2.400 75.100 12.756 1.00 24.84 C +ATOM 463 CD2 LEU A 131 -1.596 72.749 12.474 1.00 30.71 C +ATOM 464 N GLN A 132 -3.767 70.845 16.097 1.00 37.63 N +ATOM 465 CA GLN A 132 -3.939 70.461 17.494 1.00 40.41 C +ATOM 466 C GLN A 132 -2.579 70.507 18.199 1.00 41.99 C +ATOM 467 O GLN A 132 -1.614 71.039 17.644 1.00 41.32 O +ATOM 468 CB GLN A 132 -4.557 69.072 17.585 1.00 40.69 C +ATOM 469 CG GLN A 132 -3.672 67.964 17.045 1.00 42.18 C +ATOM 470 CD GLN A 132 -4.437 66.704 16.798 1.00 46.05 C +ATOM 471 OE1 GLN A 132 -5.001 66.523 15.725 1.00 53.16 O +ATOM 472 NE2 GLN A 132 -4.472 65.826 17.786 1.00 49.03 N +ATOM 473 N SER A 133 -2.515 69.955 19.411 1.00 46.55 N +ATOM 474 CA SER A 133 -1.282 69.897 20.218 1.00 48.01 C +ATOM 475 C SER A 133 -0.634 71.264 20.394 1.00 47.53 C +ATOM 476 O SER A 133 0.583 71.417 20.264 1.00 52.74 O +ATOM 477 CB SER A 133 -0.285 68.875 19.654 1.00 48.36 C +ATOM 478 OG SER A 133 -0.962 67.718 19.189 1.00 51.63 O +ATOM 479 N TRP A 134 -1.471 72.249 20.695 1.00 46.74 N +ATOM 480 CA TRP A 134 -1.043 73.622 20.936 1.00 50.18 C +ATOM 481 C TRP A 134 -0.208 73.747 22.212 1.00 56.01 C +ATOM 482 O TRP A 134 -0.445 73.037 23.199 1.00 53.72 O +ATOM 483 CB TRP A 134 -2.265 74.539 20.990 1.00 47.69 C +ATOM 484 CG TRP A 134 -2.902 74.677 19.648 1.00 45.48 C +ATOM 485 CD1 TRP A 134 -3.908 73.908 19.133 1.00 43.20 C +ATOM 486 CD2 TRP A 134 -2.548 75.614 18.622 1.00 43.34 C +ATOM 487 NE1 TRP A 134 -4.209 74.319 17.857 1.00 43.87 N +ATOM 488 CE2 TRP A 134 -3.393 75.368 17.518 1.00 42.54 C +ATOM 489 CE3 TRP A 134 -1.603 76.647 18.524 1.00 40.90 C +ATOM 490 CZ2 TRP A 134 -3.324 76.116 16.338 1.00 41.37 C +ATOM 491 CZ3 TRP A 134 -1.536 77.390 17.353 1.00 40.04 C +ATOM 492 CH2 TRP A 134 -2.390 77.119 16.274 1.00 40.30 C +ATOM 493 N LYS A 135 0.773 74.647 22.177 1.00 60.61 N +ATOM 494 CA LYS A 135 1.728 74.795 23.276 1.00 63.51 C +ATOM 495 C LYS A 135 2.087 76.253 23.548 1.00 62.60 C +ATOM 496 O LYS A 135 2.055 77.090 22.641 1.00 58.72 O +ATOM 497 CB LYS A 135 2.994 73.978 22.996 1.00 66.12 C +ATOM 498 CG LYS A 135 2.927 72.541 23.510 1.00 70.69 C +ATOM 499 CD LYS A 135 4.014 71.676 22.891 1.00 73.69 C +ATOM 500 CE LYS A 135 3.423 70.538 22.074 1.00 75.96 C +ATOM 501 NZ LYS A 135 4.327 70.144 20.956 1.00 77.76 N +ATOM 502 N ARG A 136 2.424 76.544 24.805 1.00 63.54 N +ATOM 503 CA ARG A 136 2.852 77.875 25.222 1.00 63.53 C +ATOM 504 C ARG A 136 3.816 78.451 24.197 1.00 59.10 C +ATOM 505 O ARG A 136 4.807 77.808 23.839 1.00 56.76 O +ATOM 506 CB ARG A 136 3.552 77.795 26.576 1.00 71.17 C +ATOM 507 CG ARG A 136 2.794 78.426 27.724 1.00 79.31 C +ATOM 508 CD ARG A 136 3.466 78.221 29.075 1.00 85.00 C +ATOM 509 NE ARG A 136 3.003 79.186 30.070 1.00 90.42 N +ATOM 510 CZ ARG A 136 3.802 79.915 30.845 1.00 93.48 C +ATOM 511 NH1 ARG A 136 5.124 79.799 30.754 1.00 94.14 N +ATOM 512 NH2 ARG A 136 3.277 80.764 31.717 1.00 94.58 N +ATOM 513 N GLY A 137 3.514 79.649 23.711 1.00 55.12 N +ATOM 514 CA GLY A 137 4.368 80.303 22.737 1.00 56.28 C +ATOM 515 C GLY A 137 3.937 80.124 21.292 1.00 56.31 C +ATOM 516 O GLY A 137 4.169 81.018 20.471 1.00 53.21 O +ATOM 517 N ASP A 138 3.318 78.979 20.979 1.00 56.95 N +ATOM 518 CA ASP A 138 2.803 78.710 19.632 1.00 54.57 C +ATOM 519 C ASP A 138 2.020 79.904 19.131 1.00 49.97 C +ATOM 520 O ASP A 138 1.067 80.342 19.773 1.00 54.96 O +ATOM 521 CB ASP A 138 1.885 77.486 19.619 1.00 56.63 C +ATOM 522 CG ASP A 138 2.642 76.178 19.580 1.00 55.70 C +ATOM 523 OD1 ASP A 138 3.878 76.186 19.397 1.00 54.34 O +ATOM 524 OD2 ASP A 138 2.067 75.080 19.730 1.00 58.05 O +ATOM 525 N ASP A 139 2.445 80.452 18.003 1.00 47.88 N +ATOM 526 CA ASP A 139 1.740 81.571 17.410 1.00 46.74 C +ATOM 527 C ASP A 139 0.777 81.060 16.332 1.00 47.34 C +ATOM 528 O ASP A 139 1.211 80.503 15.323 1.00 46.63 O +ATOM 529 CB ASP A 139 2.713 82.604 16.845 1.00 42.80 C +ATOM 530 CG ASP A 139 2.010 83.829 16.324 1.00 44.17 C +ATOM 531 OD1 ASP A 139 1.232 84.516 17.022 1.00 46.66 O +ATOM 532 OD2 ASP A 139 2.211 84.171 15.139 1.00 44.72 O +ATOM 533 N PRO A 140 -0.523 81.245 16.572 1.00 47.48 N +ATOM 534 CA PRO A 140 -1.574 80.796 15.652 1.00 44.82 C +ATOM 535 C PRO A 140 -1.365 81.315 14.240 1.00 42.23 C +ATOM 536 O PRO A 140 -1.405 80.515 13.310 1.00 43.66 O +ATOM 537 CB PRO A 140 -2.841 81.408 16.255 1.00 44.00 C +ATOM 538 CG PRO A 140 -2.541 81.506 17.701 1.00 46.21 C +ATOM 539 CD PRO A 140 -1.089 81.902 17.767 1.00 45.49 C +ATOM 540 N TRP A 141 -1.139 82.617 14.083 1.00 38.05 N +ATOM 541 CA TRP A 141 -0.889 83.192 12.768 1.00 40.30 C +ATOM 542 C TRP A 141 0.293 82.527 12.049 1.00 42.19 C +ATOM 543 O TRP A 141 0.263 82.335 10.826 1.00 39.54 O +ATOM 544 CB TRP A 141 -0.636 84.687 12.877 1.00 43.89 C +ATOM 545 CG TRP A 141 -1.861 85.553 12.764 1.00 47.31 C +ATOM 546 CD1 TRP A 141 -2.182 86.610 13.562 1.00 47.47 C +ATOM 547 CD2 TRP A 141 -2.909 85.460 11.785 1.00 45.68 C +ATOM 548 NE1 TRP A 141 -3.362 87.179 13.148 1.00 47.91 N +ATOM 549 CE2 TRP A 141 -3.832 86.494 12.060 1.00 44.44 C +ATOM 550 CE3 TRP A 141 -3.169 84.601 10.703 1.00 45.80 C +ATOM 551 CZ2 TRP A 141 -4.992 86.694 11.300 1.00 43.80 C +ATOM 552 CZ3 TRP A 141 -4.321 84.804 9.942 1.00 44.16 C +ATOM 553 CH2 TRP A 141 -5.217 85.843 10.250 1.00 43.45 C +ATOM 554 N THR A 142 1.322 82.177 12.820 1.00 40.37 N +ATOM 555 CA THR A 142 2.539 81.589 12.285 1.00 39.63 C +ATOM 556 C THR A 142 2.281 80.154 11.888 1.00 39.15 C +ATOM 557 O THR A 142 2.640 79.743 10.787 1.00 41.07 O +ATOM 558 CB THR A 142 3.685 81.669 13.329 1.00 40.80 C +ATOM 559 OG1 THR A 142 3.948 83.040 13.642 1.00 36.58 O +ATOM 560 CG2 THR A 142 5.008 81.182 12.742 1.00 38.14 C +ATOM 561 N GLU A 143 1.673 79.396 12.800 1.00 40.63 N +ATOM 562 CA GLU A 143 1.245 78.029 12.520 1.00 44.00 C +ATOM 563 C GLU A 143 0.370 77.983 11.268 1.00 41.45 C +ATOM 564 O GLU A 143 0.517 77.092 10.434 1.00 40.24 O +ATOM 565 CB GLU A 143 0.495 77.440 13.715 1.00 46.83 C +ATOM 566 CG GLU A 143 1.337 77.280 14.975 1.00 50.86 C +ATOM 567 CD GLU A 143 2.394 76.190 14.875 1.00 54.99 C +ATOM 568 OE1 GLU A 143 2.791 75.814 13.754 1.00 54.40 O +ATOM 569 OE2 GLU A 143 2.839 75.701 15.935 1.00 59.48 O +ATOM 570 N HIS A 144 -0.512 78.972 11.143 1.00 37.97 N +ATOM 571 CA HIS A 144 -1.352 79.146 9.967 1.00 38.05 C +ATOM 572 C HIS A 144 -0.519 79.231 8.694 1.00 38.83 C +ATOM 573 O HIS A 144 -0.806 78.528 7.714 1.00 36.06 O +ATOM 574 CB HIS A 144 -2.229 80.390 10.112 1.00 32.93 C +ATOM 575 CG HIS A 144 -3.575 80.258 9.476 1.00 37.97 C +ATOM 576 ND1 HIS A 144 -4.676 80.963 9.914 1.00 36.82 N +ATOM 577 CD2 HIS A 144 -4.000 79.509 8.429 1.00 37.03 C +ATOM 578 CE1 HIS A 144 -5.719 80.656 9.165 1.00 34.53 C +ATOM 579 NE2 HIS A 144 -5.337 79.773 8.261 1.00 38.88 N +ATOM 580 N ALA A 145 0.506 80.086 8.723 1.00 32.15 N +ATOM 581 CA ALA A 145 1.388 80.296 7.573 1.00 35.55 C +ATOM 582 C ALA A 145 2.281 79.093 7.312 1.00 34.87 C +ATOM 583 O ALA A 145 2.603 78.787 6.166 1.00 38.78 O +ATOM 584 CB ALA A 145 2.230 81.555 7.765 1.00 35.36 C +ATOM 585 N LYS A 146 2.673 78.419 8.385 1.00 35.16 N +ATOM 586 CA LYS A 146 3.521 77.245 8.296 1.00 39.39 C +ATOM 587 C LYS A 146 2.805 76.114 7.563 1.00 42.34 C +ATOM 588 O LYS A 146 3.373 75.486 6.668 1.00 45.06 O +ATOM 589 CB LYS A 146 3.949 76.809 9.702 1.00 40.77 C +ATOM 590 CG LYS A 146 4.541 75.407 9.803 1.00 47.02 C +ATOM 591 CD LYS A 146 4.996 75.104 11.238 1.00 53.23 C +ATOM 592 CE LYS A 146 5.888 73.860 11.301 1.00 56.92 C +ATOM 593 NZ LYS A 146 6.410 73.583 12.680 1.00 58.88 N +ATOM 594 N TRP A 147 1.551 75.869 7.932 1.00 39.23 N +ATOM 595 CA TRP A 147 0.852 74.689 7.447 1.00 35.31 C +ATOM 596 C TRP A 147 -0.047 74.919 6.242 1.00 30.86 C +ATOM 597 O TRP A 147 -0.191 74.039 5.415 1.00 30.96 O +ATOM 598 CB TRP A 147 0.072 74.046 8.583 1.00 35.69 C +ATOM 599 CG TRP A 147 0.974 73.529 9.652 1.00 36.36 C +ATOM 600 CD1 TRP A 147 1.207 74.097 10.868 1.00 32.45 C +ATOM 601 CD2 TRP A 147 1.785 72.351 9.594 1.00 35.97 C +ATOM 602 NE1 TRP A 147 2.098 73.334 11.580 1.00 36.66 N +ATOM 603 CE2 TRP A 147 2.475 72.257 10.823 1.00 37.13 C +ATOM 604 CE3 TRP A 147 2.004 71.361 8.625 1.00 36.63 C +ATOM 605 CZ2 TRP A 147 3.362 71.210 11.116 1.00 39.68 C +ATOM 606 CZ3 TRP A 147 2.885 70.314 8.915 1.00 40.29 C +ATOM 607 CH2 TRP A 147 3.558 70.253 10.151 1.00 42.93 C +ATOM 608 N PHE A 148 -0.626 76.107 6.140 1.00 31.03 N +ATOM 609 CA PHE A 148 -1.662 76.384 5.146 1.00 30.76 C +ATOM 610 C PHE A 148 -1.355 77.672 4.408 1.00 30.44 C +ATOM 611 O PHE A 148 -2.154 78.611 4.434 1.00 30.99 O +ATOM 612 CB PHE A 148 -3.029 76.447 5.851 1.00 27.95 C +ATOM 613 CG PHE A 148 -3.201 75.372 6.881 1.00 27.60 C +ATOM 614 CD1 PHE A 148 -3.173 74.029 6.509 1.00 23.80 C +ATOM 615 CD2 PHE A 148 -3.322 75.688 8.226 1.00 28.23 C +ATOM 616 CE1 PHE A 148 -3.290 73.013 7.464 1.00 25.50 C +ATOM 617 CE2 PHE A 148 -3.451 74.673 9.187 1.00 25.69 C +ATOM 618 CZ PHE A 148 -3.436 73.337 8.799 1.00 23.04 C +ATOM 619 N PRO A 149 -0.198 77.722 3.740 1.00 30.58 N +ATOM 620 CA PRO A 149 0.306 78.981 3.188 1.00 30.36 C +ATOM 621 C PRO A 149 -0.597 79.578 2.124 1.00 32.30 C +ATOM 622 O PRO A 149 -0.510 80.780 1.874 1.00 32.05 O +ATOM 623 CB PRO A 149 1.659 78.579 2.566 1.00 31.98 C +ATOM 624 CG PRO A 149 1.558 77.094 2.335 1.00 31.57 C +ATOM 625 CD PRO A 149 0.715 76.599 3.457 1.00 30.58 C +ATOM 626 N SER A 150 -1.447 78.769 1.496 1.00 32.65 N +ATOM 627 CA SER A 150 -2.289 79.311 0.435 1.00 31.93 C +ATOM 628 C SER A 150 -3.647 79.833 0.933 1.00 31.17 C +ATOM 629 O SER A 150 -4.427 80.389 0.157 1.00 31.38 O +ATOM 630 CB SER A 150 -2.429 78.320 -0.721 1.00 33.85 C +ATOM 631 OG SER A 150 -3.218 77.212 -0.336 1.00 44.21 O +ATOM 632 N CYS A 151 -3.906 79.696 2.231 1.00 30.36 N +ATOM 633 CA CYS A 151 -5.171 80.158 2.806 1.00 31.42 C +ATOM 634 C CYS A 151 -5.397 81.617 2.484 1.00 36.31 C +ATOM 635 O CYS A 151 -4.566 82.469 2.824 1.00 36.93 O +ATOM 636 CB CYS A 151 -5.200 79.982 4.321 1.00 28.57 C +ATOM 637 SG CYS A 151 -6.714 80.652 5.077 1.00 30.97 S +ATOM 638 N GLN A 152 -6.526 81.913 1.843 1.00 36.94 N +ATOM 639 CA GLN A 152 -6.794 83.288 1.441 1.00 39.05 C +ATOM 640 C GLN A 152 -7.106 84.184 2.635 1.00 41.62 C +ATOM 641 O GLN A 152 -6.878 85.395 2.571 1.00 40.98 O +ATOM 642 CB GLN A 152 -7.899 83.359 0.392 1.00 38.63 C +ATOM 643 CG GLN A 152 -7.441 82.898 -0.976 1.00 42.39 C +ATOM 644 CD GLN A 152 -8.559 82.264 -1.777 1.00 45.27 C +ATOM 645 OE1 GLN A 152 -9.182 82.924 -2.616 1.00 47.71 O +ATOM 646 NE2 GLN A 152 -8.818 80.986 -1.525 1.00 41.77 N +ATOM 647 N PHE A 153 -7.627 83.599 3.716 1.00 39.88 N +ATOM 648 CA PHE A 153 -7.870 84.379 4.924 1.00 39.23 C +ATOM 649 C PHE A 153 -6.550 84.823 5.542 1.00 37.01 C +ATOM 650 O PHE A 153 -6.393 85.977 5.921 1.00 34.00 O +ATOM 651 CB PHE A 153 -8.682 83.622 5.978 1.00 35.44 C +ATOM 652 CG PHE A 153 -8.844 84.393 7.251 1.00 35.56 C +ATOM 653 CD1 PHE A 153 -9.633 85.546 7.282 1.00 37.66 C +ATOM 654 CD2 PHE A 153 -8.171 84.010 8.405 1.00 35.77 C +ATOM 655 CE1 PHE A 153 -9.780 86.280 8.459 1.00 34.47 C +ATOM 656 CE2 PHE A 153 -8.306 84.738 9.574 1.00 35.13 C +ATOM 657 CZ PHE A 153 -9.111 85.874 9.606 1.00 34.48 C +ATOM 658 N LEU A 154 -5.620 83.882 5.648 1.00 37.02 N +ATOM 659 CA LEU A 154 -4.308 84.142 6.188 1.00 38.31 C +ATOM 660 C LEU A 154 -3.617 85.230 5.367 1.00 42.08 C +ATOM 661 O LEU A 154 -2.994 86.135 5.923 1.00 43.68 O +ATOM 662 CB LEU A 154 -3.490 82.851 6.178 1.00 36.63 C +ATOM 663 CG LEU A 154 -1.976 82.937 6.365 1.00 35.67 C +ATOM 664 CD1 LEU A 154 -1.624 83.408 7.764 1.00 38.83 C +ATOM 665 CD2 LEU A 154 -1.346 81.590 6.069 1.00 33.40 C +ATOM 666 N LEU A 155 -3.764 85.146 4.049 1.00 42.31 N +ATOM 667 CA LEU A 155 -3.072 86.045 3.132 1.00 44.63 C +ATOM 668 C LEU A 155 -3.629 87.469 3.131 1.00 46.70 C +ATOM 669 O LEU A 155 -2.862 88.431 3.074 1.00 46.95 O +ATOM 670 CB LEU A 155 -3.034 85.458 1.716 1.00 41.34 C +ATOM 671 CG LEU A 155 -1.884 84.459 1.506 1.00 45.26 C +ATOM 672 CD1 LEU A 155 -2.169 83.525 0.344 1.00 43.10 C +ATOM 673 CD2 LEU A 155 -0.553 85.176 1.302 1.00 43.72 C +ATOM 674 N ARG A 156 -4.952 87.597 3.199 1.00 48.17 N +ATOM 675 CA ARG A 156 -5.594 88.906 3.296 1.00 51.44 C +ATOM 676 C ARG A 156 -5.269 89.590 4.620 1.00 50.37 C +ATOM 677 O ARG A 156 -5.146 90.814 4.678 1.00 51.91 O +ATOM 678 CB ARG A 156 -7.111 88.779 3.148 1.00 58.49 C +ATOM 679 CG ARG A 156 -7.632 89.147 1.775 1.00 66.63 C +ATOM 680 CD ARG A 156 -8.306 87.994 1.044 1.00 74.75 C +ATOM 681 NE ARG A 156 -8.275 88.167 -0.408 1.00 81.45 N +ATOM 682 CZ ARG A 156 -9.275 88.661 -1.131 1.00 84.94 C +ATOM 683 NH1 ARG A 156 -10.409 89.036 -0.547 1.00 85.99 N +ATOM 684 NH2 ARG A 156 -9.143 88.780 -2.447 1.00 85.71 N +ATOM 685 N SER A 157 -5.120 88.786 5.670 1.00 46.39 N +ATOM 686 CA SER A 157 -4.949 89.287 7.024 1.00 46.87 C +ATOM 687 C SER A 157 -3.501 89.628 7.352 1.00 49.47 C +ATOM 688 O SER A 157 -3.240 90.613 8.047 1.00 47.89 O +ATOM 689 CB SER A 157 -5.470 88.265 8.033 1.00 45.05 C +ATOM 690 OG SER A 157 -6.845 87.990 7.824 1.00 43.60 O +ATOM 691 N LYS A 158 -2.570 88.814 6.856 1.00 51.06 N +ATOM 692 CA LYS A 158 -1.158 88.944 7.214 1.00 52.86 C +ATOM 693 C LYS A 158 -0.254 89.365 6.055 1.00 56.86 C +ATOM 694 O LYS A 158 0.882 89.806 6.278 1.00 57.98 O +ATOM 695 CB LYS A 158 -0.635 87.641 7.826 1.00 50.19 C +ATOM 696 CG LYS A 158 -1.283 87.237 9.144 1.00 50.66 C +ATOM 697 CD LYS A 158 -1.127 88.303 10.221 1.00 51.43 C +ATOM 698 CE LYS A 158 0.207 88.180 10.946 1.00 52.81 C +ATOM 699 NZ LYS A 158 0.483 89.383 11.781 1.00 52.82 N +ATOM 700 N GLY A 159 -0.749 89.214 4.828 1.00 56.07 N +ATOM 701 CA GLY A 159 0.001 89.604 3.646 1.00 54.10 C +ATOM 702 C GLY A 159 0.944 88.549 3.099 1.00 51.81 C +ATOM 703 O GLY A 159 1.349 87.618 3.800 1.00 49.51 O +ATOM 704 N ARG A 160 1.296 88.723 1.829 1.00 57.35 N +ATOM 705 CA ARG A 160 2.177 87.821 1.093 1.00 61.98 C +ATOM 706 C ARG A 160 3.561 87.696 1.730 1.00 62.06 C +ATOM 707 O ARG A 160 4.123 86.595 1.795 1.00 61.09 O +ATOM 708 CB ARG A 160 2.302 88.298 -0.358 1.00 68.30 C +ATOM 709 CG ARG A 160 2.334 87.186 -1.395 1.00 76.43 C +ATOM 710 CD ARG A 160 0.952 86.674 -1.838 1.00 82.70 C +ATOM 711 NE ARG A 160 1.047 85.604 -2.839 1.00 86.94 N +ATOM 712 CZ ARG A 160 1.365 84.333 -2.577 1.00 87.84 C +ATOM 713 NH1 ARG A 160 1.624 83.936 -1.335 1.00 86.74 N +ATOM 714 NH2 ARG A 160 1.425 83.453 -3.569 1.00 88.60 N +ATOM 715 N ASP A 161 4.094 88.823 2.204 1.00 62.10 N +ATOM 716 CA ASP A 161 5.424 88.863 2.818 1.00 62.25 C +ATOM 717 C ASP A 161 5.519 87.962 4.049 1.00 58.42 C +ATOM 718 O ASP A 161 6.446 87.149 4.155 1.00 58.35 O +ATOM 719 CB ASP A 161 5.830 90.301 3.181 1.00 64.66 C +ATOM 720 CG ASP A 161 6.042 91.188 1.961 1.00 68.82 C +ATOM 721 OD1 ASP A 161 6.103 90.671 0.824 1.00 69.82 O +ATOM 722 OD2 ASP A 161 6.163 92.429 2.047 1.00 71.16 O +ATOM 723 N PHE A 162 4.559 88.101 4.964 1.00 53.75 N +ATOM 724 CA PHE A 162 4.544 87.320 6.203 1.00 51.98 C +ATOM 725 C PHE A 162 4.573 85.813 5.964 1.00 50.85 C +ATOM 726 O PHE A 162 5.333 85.088 6.614 1.00 51.98 O +ATOM 727 CB PHE A 162 3.329 87.686 7.064 1.00 51.89 C +ATOM 728 CG PHE A 162 3.164 86.816 8.276 1.00 52.64 C +ATOM 729 CD1 PHE A 162 3.929 87.038 9.418 1.00 54.82 C +ATOM 730 CD2 PHE A 162 2.251 85.768 8.275 1.00 52.11 C +ATOM 731 CE1 PHE A 162 3.783 86.228 10.547 1.00 56.29 C +ATOM 732 CE2 PHE A 162 2.098 84.953 9.394 1.00 53.53 C +ATOM 733 CZ PHE A 162 2.865 85.182 10.532 1.00 56.07 C +ATOM 734 N VAL A 163 3.733 85.351 5.039 1.00 50.95 N +ATOM 735 CA VAL A 163 3.589 83.923 4.753 1.00 51.30 C +ATOM 736 C VAL A 163 4.886 83.369 4.171 1.00 53.54 C +ATOM 737 O VAL A 163 5.388 82.337 4.633 1.00 51.29 O +ATOM 738 CB VAL A 163 2.384 83.639 3.803 1.00 48.81 C +ATOM 739 CG1 VAL A 163 2.251 82.155 3.518 1.00 45.45 C +ATOM 740 CG2 VAL A 163 1.091 84.166 4.404 1.00 48.78 C +ATOM 741 N HIS A 164 5.424 84.070 3.171 1.00 59.51 N +ATOM 742 CA HIS A 164 6.709 83.716 2.568 1.00 64.75 C +ATOM 743 C HIS A 164 7.791 83.643 3.644 1.00 64.92 C +ATOM 744 O HIS A 164 8.600 82.716 3.648 1.00 63.89 O +ATOM 745 CB HIS A 164 7.097 84.711 1.466 1.00 70.59 C +ATOM 746 CG HIS A 164 8.233 84.247 0.602 1.00 76.69 C +ATOM 747 ND1 HIS A 164 9.541 84.622 0.825 1.00 78.26 N +ATOM 748 CD2 HIS A 164 8.255 83.437 -0.484 1.00 78.84 C +ATOM 749 CE1 HIS A 164 10.320 84.064 -0.086 1.00 79.50 C +ATOM 750 NE2 HIS A 164 9.564 83.340 -0.892 1.00 79.95 N +ATOM 751 N SER A 165 7.765 84.604 4.570 1.00 65.47 N +ATOM 752 CA SER A 165 8.715 84.670 5.682 1.00 66.16 C +ATOM 753 C SER A 165 8.650 83.443 6.598 1.00 66.32 C +ATOM 754 O SER A 165 9.673 83.015 7.140 1.00 69.60 O +ATOM 755 CB SER A 165 8.506 85.960 6.489 1.00 66.68 C +ATOM 756 OG SER A 165 9.036 85.853 7.801 1.00 68.40 O +ATOM 757 N VAL A 166 7.456 82.882 6.769 1.00 63.13 N +ATOM 758 CA VAL A 166 7.292 81.684 7.590 1.00 58.48 C +ATOM 759 C VAL A 166 7.655 80.426 6.798 1.00 57.75 C +ATOM 760 O VAL A 166 8.254 79.502 7.347 1.00 56.67 O +ATOM 761 CB VAL A 166 5.867 81.588 8.199 1.00 55.88 C +ATOM 762 CG1 VAL A 166 5.653 80.256 8.922 1.00 53.91 C +ATOM 763 CG2 VAL A 166 5.630 82.738 9.159 1.00 57.71 C +ATOM 764 N GLN A 167 7.304 80.398 5.512 1.00 61.91 N +ATOM 765 CA GLN A 167 7.614 79.252 4.645 1.00 65.53 C +ATOM 766 C GLN A 167 9.121 79.088 4.403 1.00 71.64 C +ATOM 767 O GLN A 167 9.631 77.963 4.364 1.00 71.48 O +ATOM 768 CB GLN A 167 6.876 79.353 3.304 1.00 62.83 C +ATOM 769 CG GLN A 167 5.385 78.991 3.349 1.00 62.10 C +ATOM 770 CD GLN A 167 5.131 77.518 3.641 1.00 61.02 C +ATOM 771 OE1 GLN A 167 5.548 76.646 2.877 1.00 61.08 O +ATOM 772 NE2 GLN A 167 4.442 77.240 4.744 1.00 58.58 N +ATOM 773 N GLU A 168 9.822 80.214 4.254 1.00 77.86 N +ATOM 774 CA GLU A 168 11.264 80.222 3.986 1.00 83.00 C +ATOM 775 C GLU A 168 12.119 79.875 5.211 1.00 83.43 C +ATOM 776 O GLU A 168 13.348 79.856 5.121 1.00 85.30 O +ATOM 777 CB GLU A 168 11.703 81.573 3.396 1.00 87.25 C +ATOM 778 CG GLU A 168 12.648 81.465 2.200 1.00 92.88 C +ATOM 779 CD GLU A 168 13.542 82.689 2.025 1.00 95.54 C +ATOM 780 OE1 GLU A 168 13.028 83.752 1.611 1.00 96.68 O +ATOM 781 OE2 GLU A 168 14.764 82.590 2.293 1.00 95.77 O +ATOM 782 N THR A 169 11.475 79.608 6.348 1.00 83.03 N +ATOM 783 CA THR A 169 12.186 79.174 7.555 1.00 83.45 C +ATOM 784 C THR A 169 11.752 77.776 8.006 1.00 84.40 C +ATOM 785 O THR A 169 10.893 77.129 7.399 1.00 84.84 O +ATOM 786 CB THR A 169 12.035 80.199 8.715 1.00 82.92 C +ATOM 787 OG1 THR A 169 10.651 80.369 9.041 1.00 83.73 O +ATOM 788 CG2 THR A 169 12.480 81.596 8.284 1.00 82.63 C Added: SwiftApps/modFTdock/input/1oxn-2.pdb =================================================================== --- SwiftApps/modFTdock/input/1oxn-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/1oxn-2.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,804 @@ +ATOM 1 N ALA B 71 -47.698 88.452 10.247 1.00 76.61 N +ATOM 2 CA ALA B 71 -46.369 87.808 10.038 1.00 75.25 C +ATOM 3 C ALA B 71 -45.220 88.785 10.290 1.00 72.41 C +ATOM 4 O ALA B 71 -45.340 89.985 10.012 1.00 73.95 O +ATOM 5 CB ALA B 71 -46.277 87.210 8.628 1.00 75.88 C +ATOM 6 N GLY B 72 -44.114 88.260 10.817 1.00 65.90 N +ATOM 7 CA GLY B 72 -42.923 89.049 11.070 1.00 59.96 C +ATOM 8 C GLY B 72 -41.651 88.523 10.415 1.00 55.30 C +ATOM 9 O GLY B 72 -41.411 88.749 9.223 1.00 54.79 O +ATOM 10 N ALA B 73 -40.837 87.820 11.204 1.00 47.92 N +ATOM 11 CA ALA B 73 -39.521 87.349 10.775 1.00 36.69 C +ATOM 12 C ALA B 73 -39.628 86.396 9.598 1.00 32.21 C +ATOM 13 O ALA B 73 -40.673 85.803 9.343 1.00 30.69 O +ATOM 14 CB ALA B 73 -38.792 86.684 11.928 1.00 33.93 C +ATOM 15 N THR B 74 -38.534 86.244 8.881 1.00 30.46 N +ATOM 16 CA THR B 74 -38.534 85.395 7.708 1.00 32.51 C +ATOM 17 C THR B 74 -37.440 84.357 7.876 1.00 27.99 C +ATOM 18 O THR B 74 -36.378 84.656 8.403 1.00 25.53 O +ATOM 19 CB THR B 74 -38.315 86.281 6.448 1.00 38.20 C +ATOM 20 OG1 THR B 74 -39.568 86.864 6.055 1.00 39.22 O +ATOM 21 CG2 THR B 74 -37.913 85.458 5.234 1.00 41.95 C +ATOM 22 N LEU B 75 -37.730 83.137 7.449 1.00 29.01 N +ATOM 23 CA LEU B 75 -36.742 82.087 7.311 1.00 31.91 C +ATOM 24 C LEU B 75 -35.580 82.567 6.441 1.00 34.66 C +ATOM 25 O LEU B 75 -35.789 83.046 5.318 1.00 36.74 O +ATOM 26 CB LEU B 75 -37.397 80.896 6.618 1.00 30.08 C +ATOM 27 CG LEU B 75 -37.414 79.487 7.193 1.00 34.67 C +ATOM 28 CD1 LEU B 75 -37.360 79.436 8.717 1.00 31.88 C +ATOM 29 CD2 LEU B 75 -38.661 78.796 6.686 1.00 34.53 C +ATOM 30 N SER B 76 -34.364 82.444 6.960 1.00 29.03 N +ATOM 31 CA SER B 76 -33.168 82.646 6.149 1.00 29.73 C +ATOM 32 C SER B 76 -33.046 81.567 5.074 1.00 29.47 C +ATOM 33 O SER B 76 -33.458 80.423 5.282 1.00 25.39 O +ATOM 34 CB SER B 76 -31.936 82.672 7.045 1.00 26.85 C +ATOM 35 OG SER B 76 -32.017 83.795 7.913 1.00 30.23 O +ATOM 36 N ARG B 77 -32.462 81.934 3.935 1.00 30.62 N +ATOM 37 CA ARG B 77 -32.410 81.059 2.761 1.00 36.93 C +ATOM 38 C ARG B 77 -31.168 80.170 2.684 1.00 33.70 C +ATOM 39 O ARG B 77 -31.159 79.186 1.945 1.00 32.48 O +ATOM 40 CB ARG B 77 -32.567 81.872 1.465 1.00 42.93 C +ATOM 41 CG ARG B 77 -34.023 82.204 1.135 1.00 53.76 C +ATOM 42 CD ARG B 77 -34.257 82.689 -0.291 1.00 63.83 C +ATOM 43 NE ARG B 77 -35.491 82.136 -0.851 1.00 69.95 N +ATOM 44 CZ ARG B 77 -35.576 81.501 -2.016 1.00 74.15 C +ATOM 45 NH1 ARG B 77 -34.498 81.328 -2.773 1.00 75.60 N +ATOM 46 NH2 ARG B 77 -36.748 81.034 -2.430 1.00 75.43 N +ATOM 47 N GLY B 78 -30.135 80.514 3.448 1.00 31.77 N +ATOM 48 CA GLY B 78 -28.879 79.779 3.422 1.00 30.89 C +ATOM 49 C GLY B 78 -28.983 78.416 4.102 1.00 28.90 C +ATOM 50 O GLY B 78 -29.451 78.329 5.240 1.00 25.44 O +ATOM 51 N PRO B 79 -28.554 77.353 3.418 1.00 26.07 N +ATOM 52 CA PRO B 79 -28.468 76.026 4.047 1.00 23.73 C +ATOM 53 C PRO B 79 -27.482 76.096 5.208 1.00 22.09 C +ATOM 54 O PRO B 79 -26.521 76.859 5.141 1.00 27.69 O +ATOM 55 CB PRO B 79 -27.898 75.131 2.939 1.00 19.28 C +ATOM 56 CG PRO B 79 -28.058 75.903 1.668 1.00 22.38 C +ATOM 57 CD PRO B 79 -28.124 77.339 2.008 1.00 26.25 C +ATOM 58 N ALA B 80 -27.723 75.319 6.252 1.00 22.08 N +ATOM 59 CA ALA B 80 -26.807 75.235 7.376 1.00 21.45 C +ATOM 60 C ALA B 80 -25.414 74.805 6.914 1.00 24.40 C +ATOM 61 O ALA B 80 -24.411 75.328 7.388 1.00 28.63 O +ATOM 62 CB ALA B 80 -27.333 74.265 8.406 1.00 21.20 C +ATOM 63 N PHE B 81 -25.370 73.864 5.976 1.00 23.62 N +ATOM 64 CA PHE B 81 -24.121 73.288 5.502 1.00 22.46 C +ATOM 65 C PHE B 81 -24.199 73.171 3.977 1.00 23.41 C +ATOM 66 O PHE B 81 -24.514 72.099 3.442 1.00 23.86 O +ATOM 67 CB PHE B 81 -23.910 71.923 6.181 1.00 24.08 C +ATOM 68 CG PHE B 81 -22.507 71.380 6.080 1.00 24.03 C +ATOM 69 CD1 PHE B 81 -21.553 71.961 5.235 1.00 25.47 C +ATOM 70 CD2 PHE B 81 -22.144 70.266 6.828 1.00 25.56 C +ATOM 71 CE1 PHE B 81 -20.258 71.441 5.149 1.00 28.28 C +ATOM 72 CE2 PHE B 81 -20.846 69.736 6.753 1.00 30.05 C +ATOM 73 CZ PHE B 81 -19.906 70.318 5.911 1.00 29.42 C +ATOM 74 N PRO B 82 -23.942 74.285 3.281 1.00 20.83 N +ATOM 75 CA PRO B 82 -24.096 74.351 1.827 1.00 22.13 C +ATOM 76 C PRO B 82 -23.280 73.283 1.120 1.00 24.70 C +ATOM 77 O PRO B 82 -23.760 72.716 0.147 1.00 25.69 O +ATOM 78 CB PRO B 82 -23.586 75.766 1.481 1.00 20.64 C +ATOM 79 CG PRO B 82 -23.849 76.541 2.727 1.00 17.69 C +ATOM 80 CD PRO B 82 -23.552 75.592 3.848 1.00 20.52 C +ATOM 81 N GLY B 83 -22.097 72.984 1.637 1.00 25.80 N +ATOM 82 CA GLY B 83 -21.284 71.907 1.099 1.00 29.62 C +ATOM 83 C GLY B 83 -21.975 70.553 1.016 1.00 29.14 C +ATOM 84 O GLY B 83 -21.693 69.755 0.122 1.00 28.83 O +ATOM 85 N MET B 84 -22.881 70.278 1.948 1.00 26.49 N +ATOM 86 CA MET B 84 -23.566 68.998 1.937 1.00 22.82 C +ATOM 87 C MET B 84 -24.862 69.074 1.113 1.00 24.01 C +ATOM 88 O MET B 84 -25.722 68.205 1.220 1.00 21.85 O +ATOM 89 CB MET B 84 -23.815 68.506 3.370 1.00 23.25 C +ATOM 90 CG MET B 84 -22.615 67.850 4.026 1.00 27.84 C +ATOM 91 SD MET B 84 -22.072 66.362 3.154 1.00 32.39 S +ATOM 92 CE MET B 84 -21.245 65.427 4.464 1.00 32.66 C +ATOM 93 N GLY B 85 -24.972 70.113 0.284 1.00 24.16 N +ATOM 94 CA GLY B 85 -26.101 70.329 -0.605 1.00 27.56 C +ATOM 95 C GLY B 85 -26.205 69.345 -1.758 1.00 28.57 C +ATOM 96 O GLY B 85 -27.247 69.237 -2.415 1.00 33.62 O +ATOM 97 N SER B 86 -25.135 68.607 -1.991 1.00 26.35 N +ATOM 98 CA SER B 86 -25.124 67.584 -3.026 1.00 28.61 C +ATOM 99 C SER B 86 -25.429 66.228 -2.415 1.00 29.27 C +ATOM 100 O SER B 86 -24.823 65.831 -1.411 1.00 27.20 O +ATOM 101 CB SER B 86 -23.769 67.571 -3.746 1.00 29.88 C +ATOM 102 OG SER B 86 -23.489 66.295 -4.270 1.00 34.76 O +ATOM 103 N GLU B 87 -26.374 65.521 -3.028 1.00 29.04 N +ATOM 104 CA GLU B 87 -26.781 64.204 -2.560 1.00 27.09 C +ATOM 105 C GLU B 87 -25.629 63.200 -2.485 1.00 27.80 C +ATOM 106 O GLU B 87 -25.521 62.467 -1.492 1.00 24.65 O +ATOM 107 CB GLU B 87 -27.918 63.629 -3.417 1.00 25.95 C +ATOM 108 CG GLU B 87 -28.532 62.380 -2.799 1.00 28.45 C +ATOM 109 CD GLU B 87 -29.775 61.888 -3.522 1.00 36.29 C +ATOM 110 OE1 GLU B 87 -30.556 62.725 -4.039 1.00 33.85 O +ATOM 111 OE2 GLU B 87 -29.983 60.653 -3.558 1.00 40.02 O +ATOM 112 N GLU B 88 -24.776 63.163 -3.515 1.00 26.90 N +ATOM 113 CA GLU B 88 -23.668 62.206 -3.534 1.00 28.05 C +ATOM 114 C GLU B 88 -22.689 62.485 -2.403 1.00 21.22 C +ATOM 115 O GLU B 88 -22.131 61.560 -1.819 1.00 22.07 O +ATOM 116 CB GLU B 88 -22.951 62.172 -4.898 1.00 35.88 C +ATOM 117 CG GLU B 88 -22.552 60.763 -5.336 1.00 45.72 C +ATOM 118 CD GLU B 88 -21.301 60.250 -4.620 1.00 54.46 C +ATOM 119 OE1 GLU B 88 -20.219 60.855 -4.788 1.00 52.97 O +ATOM 120 OE2 GLU B 88 -21.395 59.240 -3.881 1.00 58.46 O +ATOM 121 N LEU B 89 -22.517 63.757 -2.057 1.00 18.90 N +ATOM 122 CA LEU B 89 -21.622 64.100 -0.954 1.00 19.82 C +ATOM 123 C LEU B 89 -22.252 63.620 0.345 1.00 21.92 C +ATOM 124 O LEU B 89 -21.587 63.043 1.197 1.00 22.70 O +ATOM 125 CB LEU B 89 -21.341 65.613 -0.922 1.00 24.69 C +ATOM 126 CG LEU B 89 -20.800 66.285 -2.204 1.00 27.11 C +ATOM 127 CD1 LEU B 89 -20.122 67.621 -1.930 1.00 25.11 C +ATOM 128 CD2 LEU B 89 -19.871 65.372 -3.009 1.00 25.30 C +ATOM 129 N ARG B 90 -23.558 63.827 0.475 1.00 22.60 N +ATOM 130 CA ARG B 90 -24.267 63.357 1.651 1.00 21.80 C +ATOM 131 C ARG B 90 -24.155 61.850 1.738 1.00 21.11 C +ATOM 132 O ARG B 90 -23.863 61.315 2.801 1.00 19.30 O +ATOM 133 CB ARG B 90 -25.722 63.806 1.604 1.00 20.35 C +ATOM 134 CG ARG B 90 -25.867 65.283 1.872 1.00 17.41 C +ATOM 135 CD ARG B 90 -27.271 65.688 2.295 1.00 21.60 C +ATOM 136 NE ARG B 90 -28.293 65.272 1.335 1.00 17.86 N +ATOM 137 CZ ARG B 90 -28.602 65.946 0.237 1.00 19.03 C +ATOM 138 NH1 ARG B 90 -27.955 67.074 -0.073 1.00 17.70 N +ATOM 139 NH2 ARG B 90 -29.562 65.494 -0.552 1.00 15.50 N +ATOM 140 N LEU B 91 -24.349 61.177 0.604 1.00 20.95 N +ATOM 141 CA LEU B 91 -24.239 59.722 0.531 1.00 26.57 C +ATOM 142 C LEU B 91 -22.876 59.228 0.993 1.00 27.19 C +ATOM 143 O LEU B 91 -22.779 58.225 1.709 1.00 29.48 O +ATOM 144 CB LEU B 91 -24.481 59.238 -0.907 1.00 30.57 C +ATOM 145 CG LEU B 91 -25.308 57.968 -1.151 1.00 35.52 C +ATOM 146 CD1 LEU B 91 -24.758 57.167 -2.320 1.00 33.37 C +ATOM 147 CD2 LEU B 91 -25.460 57.086 0.082 1.00 33.09 C +ATOM 148 N ALA B 92 -21.824 59.925 0.572 1.00 23.63 N +ATOM 149 CA ALA B 92 -20.462 59.531 0.912 1.00 23.05 C +ATOM 150 C ALA B 92 -20.246 59.557 2.418 1.00 24.33 C +ATOM 151 O ALA B 92 -19.438 58.792 2.941 1.00 23.84 O +ATOM 152 CB ALA B 92 -19.464 60.437 0.218 1.00 22.25 C +ATOM 153 N SER B 93 -20.994 60.418 3.113 1.00 24.08 N +ATOM 154 CA SER B 93 -20.871 60.555 4.563 1.00 21.51 C +ATOM 155 C SER B 93 -21.346 59.313 5.297 1.00 24.47 C +ATOM 156 O SER B 93 -21.016 59.114 6.469 1.00 24.61 O +ATOM 157 CB SER B 93 -21.622 61.799 5.067 1.00 24.09 C +ATOM 158 OG SER B 93 -23.019 61.569 5.136 1.00 21.21 O +ATOM 159 N PHE B 94 -22.115 58.479 4.603 1.00 22.95 N +ATOM 160 CA PHE B 94 -22.626 57.238 5.181 1.00 24.27 C +ATOM 161 C PHE B 94 -21.703 56.041 4.983 1.00 27.96 C +ATOM 162 O PHE B 94 -22.094 54.916 5.261 1.00 28.75 O +ATOM 163 CB PHE B 94 -24.029 56.936 4.627 1.00 23.29 C +ATOM 164 CG PHE B 94 -25.067 57.907 5.107 1.00 21.27 C +ATOM 165 CD1 PHE B 94 -25.642 57.750 6.359 1.00 18.71 C +ATOM 166 CD2 PHE B 94 -25.430 59.004 4.325 1.00 21.77 C +ATOM 167 CE1 PHE B 94 -26.577 58.662 6.830 1.00 24.54 C +ATOM 168 CE2 PHE B 94 -26.369 59.931 4.788 1.00 23.34 C +ATOM 169 CZ PHE B 94 -26.945 59.756 6.043 1.00 22.27 C +ATOM 170 N TYR B 95 -20.478 56.287 4.520 1.00 29.89 N +ATOM 171 CA TYR B 95 -19.499 55.213 4.322 1.00 34.76 C +ATOM 172 C TYR B 95 -19.359 54.339 5.566 1.00 32.92 C +ATOM 173 O TYR B 95 -19.169 53.137 5.450 1.00 32.72 O +ATOM 174 CB TYR B 95 -18.130 55.762 3.887 1.00 30.09 C +ATOM 175 CG TYR B 95 -17.274 56.235 5.035 1.00 30.42 C +ATOM 176 CD1 TYR B 95 -17.632 57.367 5.778 1.00 28.17 C +ATOM 177 CD2 TYR B 95 -16.105 55.549 5.392 1.00 29.85 C +ATOM 178 CE1 TYR B 95 -16.860 57.792 6.838 1.00 28.09 C +ATOM 179 CE2 TYR B 95 -15.326 55.974 6.449 1.00 29.19 C +ATOM 180 CZ TYR B 95 -15.708 57.092 7.170 1.00 31.14 C +ATOM 181 OH TYR B 95 -14.931 57.532 8.215 1.00 36.90 O +ATOM 182 N ASP B 96 -19.483 54.944 6.749 1.00 32.78 N +ATOM 183 CA ASP B 96 -19.384 54.199 8.002 1.00 32.35 C +ATOM 184 C ASP B 96 -20.728 54.112 8.725 1.00 30.23 C +ATOM 185 O ASP B 96 -20.773 54.047 9.955 1.00 30.85 O +ATOM 186 CB ASP B 96 -18.344 54.843 8.918 1.00 31.22 C +ATOM 187 CG ASP B 96 -18.671 56.278 9.243 1.00 34.52 C +ATOM 188 OD1 ASP B 96 -19.604 56.838 8.622 1.00 34.82 O +ATOM 189 OD2 ASP B 96 -18.050 56.930 10.101 1.00 37.38 O +ATOM 190 N TRP B 97 -21.818 54.147 7.964 1.00 31.14 N +ATOM 191 CA TRP B 97 -23.155 54.062 8.545 1.00 33.00 C +ATOM 192 C TRP B 97 -23.322 52.671 9.161 1.00 35.27 C +ATOM 193 O TRP B 97 -23.112 51.676 8.472 1.00 36.38 O +ATOM 194 CB TRP B 97 -24.210 54.327 7.465 1.00 27.67 C +ATOM 195 CG TRP B 97 -25.647 54.342 7.938 1.00 25.27 C +ATOM 196 CD1 TRP B 97 -26.634 53.489 7.554 1.00 23.69 C +ATOM 197 CD2 TRP B 97 -26.259 55.272 8.849 1.00 24.84 C +ATOM 198 NE1 TRP B 97 -27.822 53.825 8.156 1.00 23.02 N +ATOM 199 CE2 TRP B 97 -27.619 54.908 8.969 1.00 25.09 C +ATOM 200 CE3 TRP B 97 -25.795 56.372 9.581 1.00 21.71 C +ATOM 201 CZ2 TRP B 97 -28.516 55.598 9.787 1.00 20.06 C +ATOM 202 CZ3 TRP B 97 -26.681 57.058 10.389 1.00 25.28 C +ATOM 203 CH2 TRP B 97 -28.035 56.671 10.480 1.00 26.94 C +ATOM 204 N PRO B 98 -23.668 52.602 10.449 1.00 41.24 N +ATOM 205 CA PRO B 98 -23.805 51.321 11.161 1.00 44.86 C +ATOM 206 C PRO B 98 -24.778 50.334 10.509 1.00 51.31 C +ATOM 207 O PRO B 98 -25.892 50.700 10.135 1.00 51.35 O +ATOM 208 CB PRO B 98 -24.351 51.732 12.531 1.00 42.41 C +ATOM 209 CG PRO B 98 -23.962 53.137 12.699 1.00 44.12 C +ATOM 210 CD PRO B 98 -23.953 53.748 11.329 1.00 41.85 C +ATOM 211 N LEU B 99 -24.340 49.083 10.388 1.00 62.23 N +ATOM 212 CA LEU B 99 -25.189 47.981 9.925 1.00 68.16 C +ATOM 213 C LEU B 99 -26.460 47.868 10.775 1.00 67.31 C +ATOM 214 O LEU B 99 -27.543 47.595 10.247 1.00 66.74 O +ATOM 215 CB LEU B 99 -24.413 46.655 9.966 1.00 73.61 C +ATOM 216 CG LEU B 99 -23.211 46.451 9.030 1.00 78.11 C +ATOM 217 CD1 LEU B 99 -21.911 47.004 9.629 1.00 79.36 C +ATOM 218 CD2 LEU B 99 -23.048 44.971 8.677 1.00 79.63 C +ATOM 219 N THR B 100 -26.305 48.107 12.081 1.00 66.34 N +ATOM 220 CA THR B 100 -27.383 48.032 13.074 1.00 65.58 C +ATOM 221 C THR B 100 -28.476 49.085 12.882 1.00 65.38 C +ATOM 222 O THR B 100 -29.603 48.915 13.352 1.00 64.40 O +ATOM 223 CB THR B 100 -26.809 48.130 14.511 1.00 66.39 C +ATOM 224 OG1 THR B 100 -25.891 49.230 14.601 1.00 65.36 O +ATOM 225 CG2 THR B 100 -25.952 46.909 14.838 1.00 65.83 C +ATOM 226 N ALA B 101 -28.129 50.180 12.213 1.00 65.49 N +ATOM 227 CA ALA B 101 -29.105 51.171 11.787 1.00 63.24 C +ATOM 228 C ALA B 101 -29.737 50.671 10.491 1.00 63.61 C +ATOM 229 O ALA B 101 -29.084 50.656 9.436 1.00 66.08 O +ATOM 230 CB ALA B 101 -28.426 52.501 11.573 1.00 63.05 C +ATOM 231 N GLU B 102 -31.000 50.256 10.568 1.00 60.11 N +ATOM 232 CA GLU B 102 -31.636 49.551 9.450 1.00 57.99 C +ATOM 233 C GLU B 102 -32.404 50.494 8.522 1.00 51.70 C +ATOM 234 O GLU B 102 -33.497 50.186 8.047 1.00 49.99 O +ATOM 235 CB GLU B 102 -32.521 48.406 9.957 1.00 63.51 C +ATOM 236 CG GLU B 102 -31.836 47.492 10.966 1.00 68.81 C +ATOM 237 CD GLU B 102 -31.632 46.077 10.456 1.00 73.40 C +ATOM 238 OE1 GLU B 102 -32.559 45.523 9.819 1.00 75.78 O +ATOM 239 OE2 GLU B 102 -30.546 45.509 10.710 1.00 75.01 O +ATOM 240 N VAL B 103 -31.804 51.651 8.277 1.00 43.68 N +ATOM 241 CA VAL B 103 -32.320 52.619 7.330 1.00 37.09 C +ATOM 242 C VAL B 103 -31.221 52.842 6.293 1.00 32.08 C +ATOM 243 O VAL B 103 -30.108 53.205 6.652 1.00 32.90 O +ATOM 244 CB VAL B 103 -32.708 53.939 8.042 1.00 34.03 C +ATOM 245 CG1 VAL B 103 -33.067 55.006 7.034 1.00 35.90 C +ATOM 246 CG2 VAL B 103 -33.875 53.707 9.009 1.00 30.54 C +ATOM 247 N PRO B 104 -31.518 52.602 5.019 1.00 29.78 N +ATOM 248 CA PRO B 104 -30.499 52.730 3.965 1.00 30.50 C +ATOM 249 C PRO B 104 -30.004 54.179 3.803 1.00 29.71 C +ATOM 250 O PRO B 104 -30.821 55.094 3.689 1.00 35.32 O +ATOM 251 CB PRO B 104 -31.220 52.277 2.684 1.00 28.91 C +ATOM 252 CG PRO B 104 -32.589 51.832 3.079 1.00 31.48 C +ATOM 253 CD PRO B 104 -32.840 52.222 4.493 1.00 28.46 C +ATOM 254 N PRO B 105 -28.689 54.367 3.780 1.00 27.71 N +ATOM 255 CA PRO B 105 -28.071 55.684 3.573 1.00 26.67 C +ATOM 256 C PRO B 105 -28.649 56.432 2.389 1.00 24.37 C +ATOM 257 O PRO B 105 -28.799 57.649 2.465 1.00 24.01 O +ATOM 258 CB PRO B 105 -26.610 55.328 3.279 1.00 28.96 C +ATOM 259 CG PRO B 105 -26.379 54.083 4.079 1.00 27.97 C +ATOM 260 CD PRO B 105 -27.672 53.308 3.964 1.00 28.48 C +ATOM 261 N GLU B 106 -28.970 55.704 1.323 1.00 24.33 N +ATOM 262 CA GLU B 106 -29.547 56.268 0.111 1.00 27.78 C +ATOM 263 C GLU B 106 -30.800 57.078 0.427 1.00 25.14 C +ATOM 264 O GLU B 106 -30.956 58.185 -0.065 1.00 27.88 O +ATOM 265 CB GLU B 106 -29.872 55.163 -0.918 1.00 34.79 C +ATOM 266 CG GLU B 106 -28.689 54.282 -1.347 1.00 46.23 C +ATOM 267 CD GLU B 106 -28.140 53.381 -0.229 1.00 49.66 C +ATOM 268 OE1 GLU B 106 -28.926 52.884 0.609 1.00 48.01 O +ATOM 269 OE2 GLU B 106 -26.905 53.170 -0.181 1.00 53.79 O +ATOM 270 N LEU B 107 -31.690 56.534 1.250 1.00 24.71 N +ATOM 271 CA LEU B 107 -32.926 57.250 1.584 1.00 25.68 C +ATOM 272 C LEU B 107 -32.640 58.463 2.465 1.00 18.79 C +ATOM 273 O LEU B 107 -33.221 59.536 2.297 1.00 22.25 O +ATOM 274 CB LEU B 107 -33.922 56.313 2.281 1.00 29.27 C +ATOM 275 CG LEU B 107 -34.654 55.235 1.468 1.00 32.55 C +ATOM 276 CD1 LEU B 107 -35.697 54.549 2.361 1.00 31.68 C +ATOM 277 CD2 LEU B 107 -35.328 55.806 0.224 1.00 30.10 C +ATOM 278 N LEU B 108 -31.735 58.281 3.411 1.00 20.20 N +ATOM 279 CA LEU B 108 -31.354 59.358 4.299 1.00 20.68 C +ATOM 280 C LEU B 108 -30.725 60.502 3.523 1.00 17.96 C +ATOM 281 O LEU B 108 -31.094 61.663 3.717 1.00 20.23 O +ATOM 282 CB LEU B 108 -30.403 58.846 5.380 1.00 15.49 C +ATOM 283 CG LEU B 108 -31.102 58.041 6.452 1.00 19.60 C +ATOM 284 CD1 LEU B 108 -30.131 57.056 7.116 1.00 18.93 C +ATOM 285 CD2 LEU B 108 -31.705 58.984 7.460 1.00 21.24 C +ATOM 286 N ALA B 109 -29.798 60.172 2.628 1.00 20.91 N +ATOM 287 CA ALA B 109 -29.106 61.178 1.822 1.00 19.25 C +ATOM 288 C ALA B 109 -30.072 61.894 0.890 1.00 19.19 C +ATOM 289 O ALA B 109 -29.965 63.108 0.714 1.00 23.56 O +ATOM 290 CB ALA B 109 -27.945 60.545 1.022 1.00 17.91 C +ATOM 291 N ALA B 110 -31.014 61.144 0.302 1.00 16.66 N +ATOM 292 CA ALA B 110 -32.043 61.739 -0.567 1.00 20.33 C +ATOM 293 C ALA B 110 -32.901 62.693 0.242 1.00 14.52 C +ATOM 294 O ALA B 110 -33.338 63.720 -0.257 1.00 18.26 O +ATOM 295 CB ALA B 110 -32.940 60.636 -1.231 1.00 19.77 C +ATOM 296 N ALA B 111 -33.133 62.346 1.506 1.00 17.82 N +ATOM 297 CA ALA B 111 -33.946 63.184 2.370 1.00 16.79 C +ATOM 298 C ALA B 111 -33.178 64.356 2.975 1.00 16.14 C +ATOM 299 O ALA B 111 -33.687 65.035 3.853 1.00 17.64 O +ATOM 300 CB ALA B 111 -34.598 62.349 3.457 1.00 17.85 C +ATOM 301 N GLY B 112 -31.953 64.587 2.506 1.00 16.87 N +ATOM 302 CA GLY B 112 -31.208 65.776 2.886 1.00 13.32 C +ATOM 303 C GLY B 112 -30.220 65.547 4.002 1.00 17.37 C +ATOM 304 O GLY B 112 -29.527 66.471 4.413 1.00 17.73 O +ATOM 305 N PHE B 113 -30.141 64.312 4.487 1.00 15.45 N +ATOM 306 CA PHE B 113 -29.381 64.051 5.697 1.00 17.48 C +ATOM 307 C PHE B 113 -27.995 63.541 5.360 1.00 17.46 C +ATOM 308 O PHE B 113 -27.807 62.763 4.417 1.00 18.80 O +ATOM 309 CB PHE B 113 -30.068 63.003 6.573 1.00 12.69 C +ATOM 310 CG PHE B 113 -31.394 63.434 7.134 1.00 14.28 C +ATOM 311 CD1 PHE B 113 -31.468 64.381 8.152 1.00 10.40 C +ATOM 312 CD2 PHE B 113 -32.563 62.864 6.667 1.00 16.89 C +ATOM 313 CE1 PHE B 113 -32.700 64.763 8.687 1.00 17.85 C +ATOM 314 CE2 PHE B 113 -33.808 63.234 7.203 1.00 15.92 C +ATOM 315 CZ PHE B 113 -33.863 64.192 8.215 1.00 15.94 C +ATOM 316 N PHE B 114 -27.031 63.949 6.166 1.00 18.20 N +ATOM 317 CA PHE B 114 -25.689 63.398 6.066 1.00 20.82 C +ATOM 318 C PHE B 114 -25.289 62.921 7.435 1.00 19.59 C +ATOM 319 O PHE B 114 -25.773 63.421 8.448 1.00 21.07 O +ATOM 320 CB PHE B 114 -24.705 64.447 5.538 1.00 17.22 C +ATOM 321 CG PHE B 114 -24.483 65.597 6.475 1.00 20.13 C +ATOM 322 CD1 PHE B 114 -25.308 66.707 6.430 1.00 20.74 C +ATOM 323 CD2 PHE B 114 -23.442 65.572 7.397 1.00 22.44 C +ATOM 324 CE1 PHE B 114 -25.118 67.773 7.295 1.00 19.46 C +ATOM 325 CE2 PHE B 114 -23.229 66.639 8.266 1.00 23.08 C +ATOM 326 CZ PHE B 114 -24.076 67.741 8.225 1.00 21.30 C +ATOM 327 N HIS B 115 -24.406 61.937 7.461 1.00 24.02 N +ATOM 328 CA HIS B 115 -24.007 61.301 8.699 1.00 23.48 C +ATOM 329 C HIS B 115 -23.024 62.191 9.461 1.00 25.25 C +ATOM 330 O HIS B 115 -22.094 62.720 8.873 1.00 26.58 O +ATOM 331 CB HIS B 115 -23.355 59.975 8.348 1.00 24.89 C +ATOM 332 CG HIS B 115 -23.035 59.114 9.527 1.00 25.17 C +ATOM 333 ND1 HIS B 115 -22.114 58.093 9.465 1.00 26.81 N +ATOM 334 CD2 HIS B 115 -23.526 59.101 10.787 1.00 26.22 C +ATOM 335 CE1 HIS B 115 -22.039 57.496 10.640 1.00 23.54 C +ATOM 336 NE2 HIS B 115 -22.884 58.089 11.460 1.00 26.79 N +ATOM 337 N THR B 116 -23.252 62.373 10.758 1.00 26.83 N +ATOM 338 CA THR B 116 -22.248 62.973 11.650 1.00 32.60 C +ATOM 339 C THR B 116 -21.907 61.951 12.722 1.00 35.22 C +ATOM 340 O THR B 116 -22.769 61.172 13.129 1.00 36.53 O +ATOM 341 CB THR B 116 -22.766 64.253 12.330 1.00 31.73 C +ATOM 342 OG1 THR B 116 -23.909 63.936 13.133 1.00 34.57 O +ATOM 343 CG2 THR B 116 -23.322 65.232 11.308 1.00 32.90 C +ATOM 344 N GLY B 117 -20.660 61.960 13.188 1.00 38.02 N +ATOM 345 CA GLY B 117 -20.231 61.051 14.244 1.00 39.32 C +ATOM 346 C GLY B 117 -20.027 59.633 13.742 1.00 38.74 C +ATOM 347 O GLY B 117 -19.897 59.412 12.538 1.00 40.82 O +ATOM 348 N HIS B 118 -20.003 58.672 14.661 1.00 40.81 N +ATOM 349 CA HIS B 118 -19.727 57.277 14.315 1.00 46.77 C +ATOM 350 C HIS B 118 -20.830 56.344 14.790 1.00 48.12 C +ATOM 351 O HIS B 118 -20.677 55.115 14.766 1.00 50.23 O +ATOM 352 CB HIS B 118 -18.369 56.833 14.874 1.00 53.63 C +ATOM 353 CG HIS B 118 -17.204 57.489 14.206 1.00 58.29 C +ATOM 354 ND1 HIS B 118 -16.730 58.728 14.584 1.00 60.80 N +ATOM 355 CD2 HIS B 118 -16.432 57.092 13.167 1.00 60.85 C +ATOM 356 CE1 HIS B 118 -15.712 59.062 13.813 1.00 62.50 C +ATOM 357 NE2 HIS B 118 -15.510 58.087 12.944 1.00 63.84 N +ATOM 358 N GLN B 119 -21.938 56.933 15.233 1.00 44.32 N +ATOM 359 CA GLN B 119 -23.137 56.164 15.520 1.00 41.15 C +ATOM 360 C GLN B 119 -24.125 56.396 14.383 1.00 35.25 C +ATOM 361 O GLN B 119 -23.736 56.391 13.222 1.00 36.68 O +ATOM 362 CB GLN B 119 -23.718 56.549 16.877 1.00 45.49 C +ATOM 363 CG GLN B 119 -23.081 55.814 18.043 1.00 53.79 C +ATOM 364 CD GLN B 119 -22.339 56.745 18.984 1.00 58.77 C +ATOM 365 OE1 GLN B 119 -22.930 57.291 19.922 1.00 59.55 O +ATOM 366 NE2 GLN B 119 -21.043 56.933 18.736 1.00 62.64 N +ATOM 367 N ASP B 120 -25.391 56.610 14.706 1.00 30.64 N +ATOM 368 CA ASP B 120 -26.411 56.748 13.681 1.00 33.50 C +ATOM 369 C ASP B 120 -27.020 58.151 13.642 1.00 31.53 C +ATOM 370 O ASP B 120 -28.178 58.332 13.279 1.00 33.40 O +ATOM 371 CB ASP B 120 -27.483 55.667 13.850 1.00 34.46 C +ATOM 372 CG ASP B 120 -28.420 55.937 15.014 1.00 38.67 C +ATOM 373 OD1 ASP B 120 -28.020 56.609 15.993 1.00 39.05 O +ATOM 374 OD2 ASP B 120 -29.590 55.501 15.027 1.00 42.10 O +ATOM 375 N LYS B 121 -26.220 59.142 14.001 1.00 28.57 N +ATOM 376 CA LYS B 121 -26.683 60.515 14.012 1.00 30.29 C +ATOM 377 C LYS B 121 -26.618 61.086 12.611 1.00 29.84 C +ATOM 378 O LYS B 121 -25.655 60.849 11.884 1.00 24.99 O +ATOM 379 CB LYS B 121 -25.828 61.363 14.955 1.00 29.30 C +ATOM 380 CG LYS B 121 -26.126 61.147 16.426 1.00 28.34 C +ATOM 381 CD LYS B 121 -25.377 62.173 17.267 1.00 31.37 C +ATOM 382 CE LYS B 121 -25.346 61.766 18.735 1.00 34.04 C +ATOM 383 NZ LYS B 121 -23.970 61.873 19.260 1.00 42.53 N +ATOM 384 N VAL B 122 -27.659 61.822 12.235 1.00 24.56 N +ATOM 385 CA VAL B 122 -27.665 62.521 10.970 1.00 22.07 C +ATOM 386 C VAL B 122 -28.094 63.947 11.191 1.00 22.73 C +ATOM 387 O VAL B 122 -28.756 64.274 12.187 1.00 23.14 O +ATOM 388 CB VAL B 122 -28.598 61.870 9.898 1.00 21.84 C +ATOM 389 CG1 VAL B 122 -28.201 60.420 9.608 1.00 15.66 C +ATOM 390 CG2 VAL B 122 -30.071 62.003 10.274 1.00 20.34 C +ATOM 391 N ARG B 123 -27.709 64.790 10.244 1.00 20.64 N +ATOM 392 CA ARG B 123 -28.155 66.164 10.204 1.00 21.86 C +ATOM 393 C ARG B 123 -28.643 66.454 8.807 1.00 22.36 C +ATOM 394 O ARG B 123 -28.073 65.960 7.840 1.00 19.43 O +ATOM 395 CB ARG B 123 -26.985 67.100 10.510 1.00 26.01 C +ATOM 396 CG ARG B 123 -26.526 67.055 11.959 1.00 27.50 C +ATOM 397 CD ARG B 123 -27.247 68.044 12.829 1.00 25.66 C +ATOM 398 NE ARG B 123 -26.787 68.006 14.212 1.00 23.97 N +ATOM 399 CZ ARG B 123 -27.385 68.657 15.198 1.00 26.03 C +ATOM 400 NH1 ARG B 123 -28.467 69.391 14.954 1.00 24.59 N +ATOM 401 NH2 ARG B 123 -26.910 68.572 16.436 1.00 29.49 N +ATOM 402 N CYS B 124 -29.675 67.279 8.689 1.00 18.68 N +ATOM 403 CA CYS B 124 -30.036 67.796 7.385 1.00 18.35 C +ATOM 404 C CYS B 124 -29.075 68.899 6.979 1.00 20.00 C +ATOM 405 O CYS B 124 -28.788 69.791 7.772 1.00 20.56 O +ATOM 406 CB CYS B 124 -31.460 68.327 7.402 1.00 15.26 C +ATOM 407 SG CYS B 124 -31.908 69.179 5.894 1.00 18.47 S +ATOM 408 N PHE B 125 -28.579 68.857 5.746 1.00 18.71 N +ATOM 409 CA PHE B 125 -27.639 69.890 5.304 1.00 15.78 C +ATOM 410 C PHE B 125 -28.302 71.251 5.314 1.00 18.78 C +ATOM 411 O PHE B 125 -27.622 72.278 5.480 1.00 21.47 O +ATOM 412 CB PHE B 125 -27.096 69.605 3.894 1.00 15.88 C +ATOM 413 CG PHE B 125 -28.030 70.042 2.796 1.00 15.82 C +ATOM 414 CD1 PHE B 125 -29.064 69.210 2.387 1.00 17.59 C +ATOM 415 CD2 PHE B 125 -27.901 71.303 2.204 1.00 14.73 C +ATOM 416 CE1 PHE B 125 -29.951 69.609 1.384 1.00 19.10 C +ATOM 417 CE2 PHE B 125 -28.782 71.709 1.200 1.00 17.50 C +ATOM 418 CZ PHE B 125 -29.802 70.867 0.797 1.00 15.51 C +ATOM 419 N PHE B 126 -29.622 71.280 5.106 1.00 15.40 N +ATOM 420 CA PHE B 126 -30.299 72.573 5.022 1.00 18.34 C +ATOM 421 C PHE B 126 -30.728 73.122 6.373 1.00 21.24 C +ATOM 422 O PHE B 126 -30.286 74.208 6.758 1.00 24.07 O +ATOM 423 CB PHE B 126 -31.484 72.604 4.028 1.00 17.06 C +ATOM 424 CG PHE B 126 -31.955 73.995 3.763 1.00 24.05 C +ATOM 425 CD1 PHE B 126 -32.771 74.641 4.680 1.00 18.50 C +ATOM 426 CD2 PHE B 126 -31.499 74.702 2.652 1.00 24.18 C +ATOM 427 CE1 PHE B 126 -33.137 75.959 4.504 1.00 23.16 C +ATOM 428 CE2 PHE B 126 -31.882 76.025 2.456 1.00 25.91 C +ATOM 429 CZ PHE B 126 -32.697 76.655 3.387 1.00 24.35 C +ATOM 430 N CYS B 127 -31.592 72.397 7.090 1.00 15.05 N +ATOM 431 CA CYS B 127 -32.141 72.940 8.322 1.00 16.41 C +ATOM 432 C CYS B 127 -31.283 72.572 9.514 1.00 19.23 C +ATOM 433 O CYS B 127 -31.508 73.074 10.613 1.00 21.15 O +ATOM 434 CB CYS B 127 -33.603 72.491 8.547 1.00 14.73 C +ATOM 435 SG CYS B 127 -33.736 70.719 8.818 1.00 17.10 S +ATOM 436 N TYR B 128 -30.306 71.691 9.292 1.00 18.70 N +ATOM 437 CA TYR B 128 -29.457 71.186 10.364 1.00 19.82 C +ATOM 438 C TYR B 128 -30.229 70.407 11.430 1.00 20.09 C +ATOM 439 O TYR B 128 -29.736 70.213 12.537 1.00 18.49 O +ATOM 440 CB TYR B 128 -28.609 72.305 11.009 1.00 21.74 C +ATOM 441 CG TYR B 128 -27.263 71.788 11.450 1.00 21.60 C +ATOM 442 CD1 TYR B 128 -26.414 71.147 10.537 1.00 23.94 C +ATOM 443 CD2 TYR B 128 -26.843 71.898 12.781 1.00 19.89 C +ATOM 444 CE1 TYR B 128 -25.172 70.635 10.934 1.00 24.25 C +ATOM 445 CE2 TYR B 128 -25.598 71.387 13.189 1.00 25.29 C +ATOM 446 CZ TYR B 128 -24.768 70.762 12.249 1.00 25.68 C +ATOM 447 OH TYR B 128 -23.538 70.258 12.612 1.00 30.39 O +ATOM 448 N GLY B 129 -31.429 69.945 11.082 1.00 20.31 N +ATOM 449 CA GLY B 129 -32.191 69.077 11.958 1.00 16.32 C +ATOM 450 C GLY B 129 -31.399 67.815 12.251 1.00 20.32 C +ATOM 451 O GLY B 129 -30.885 67.181 11.339 1.00 20.58 O +ATOM 452 N GLY B 130 -31.311 67.447 13.523 1.00 19.85 N +ATOM 453 CA GLY B 130 -30.520 66.309 13.922 1.00 17.49 C +ATOM 454 C GLY B 130 -31.387 65.180 14.411 1.00 19.90 C +ATOM 455 O GLY B 130 -32.245 65.369 15.273 1.00 22.37 O +ATOM 456 N LEU B 131 -31.152 63.996 13.866 1.00 16.38 N +ATOM 457 CA LEU B 131 -31.941 62.829 14.215 1.00 21.59 C +ATOM 458 C LEU B 131 -31.042 61.614 14.364 1.00 24.36 C +ATOM 459 O LEU B 131 -30.025 61.478 13.675 1.00 23.10 O +ATOM 460 CB LEU B 131 -32.982 62.541 13.136 1.00 19.39 C +ATOM 461 CG LEU B 131 -34.113 63.548 12.938 1.00 18.69 C +ATOM 462 CD1 LEU B 131 -34.965 63.156 11.755 1.00 17.20 C +ATOM 463 CD2 LEU B 131 -34.960 63.629 14.198 1.00 15.04 C +ATOM 464 N GLN B 132 -31.439 60.723 15.256 1.00 19.28 N +ATOM 465 CA GLN B 132 -30.684 59.512 15.503 1.00 24.51 C +ATOM 466 C GLN B 132 -31.678 58.450 15.959 1.00 27.77 C +ATOM 467 O GLN B 132 -32.892 58.676 15.901 1.00 25.99 O +ATOM 468 CB GLN B 132 -29.627 59.772 16.583 1.00 24.68 C +ATOM 469 CG GLN B 132 -30.227 60.277 17.895 1.00 24.28 C +ATOM 470 CD GLN B 132 -29.175 60.620 18.902 1.00 30.48 C +ATOM 471 OE1 GLN B 132 -28.563 61.677 18.818 1.00 37.31 O +ATOM 472 NE2 GLN B 132 -28.935 59.717 19.847 1.00 33.46 N +ATOM 473 N SER B 133 -31.162 57.306 16.419 1.00 30.29 N +ATOM 474 CA SER B 133 -31.983 56.170 16.853 1.00 32.20 C +ATOM 475 C SER B 133 -32.876 55.688 15.730 1.00 34.36 C +ATOM 476 O SER B 133 -34.038 55.356 15.944 1.00 37.33 O +ATOM 477 CB SER B 133 -32.806 56.512 18.097 1.00 32.59 C +ATOM 478 OG SER B 133 -31.957 57.029 19.110 1.00 35.41 O +ATOM 479 N TRP B 134 -32.314 55.656 14.529 1.00 31.78 N +ATOM 480 CA TRP B 134 -33.010 55.156 13.359 1.00 32.10 C +ATOM 481 C TRP B 134 -33.304 53.664 13.484 1.00 36.41 C +ATOM 482 O TRP B 134 -32.426 52.864 13.830 1.00 36.75 O +ATOM 483 CB TRP B 134 -32.192 55.430 12.095 1.00 26.80 C +ATOM 484 CG TRP B 134 -32.082 56.887 11.799 1.00 26.56 C +ATOM 485 CD1 TRP B 134 -31.079 57.725 12.182 1.00 26.42 C +ATOM 486 CD2 TRP B 134 -33.024 57.689 11.081 1.00 23.52 C +ATOM 487 NE1 TRP B 134 -31.324 58.999 11.734 1.00 23.94 N +ATOM 488 CE2 TRP B 134 -32.517 59.005 11.054 1.00 22.70 C +ATOM 489 CE3 TRP B 134 -34.247 57.427 10.451 1.00 21.62 C +ATOM 490 CZ2 TRP B 134 -33.188 60.054 10.428 1.00 21.99 C +ATOM 491 CZ3 TRP B 134 -34.910 58.458 9.824 1.00 21.50 C +ATOM 492 CH2 TRP B 134 -34.380 59.765 9.819 1.00 25.61 C +ATOM 493 N LYS B 135 -34.548 53.307 13.188 1.00 38.58 N +ATOM 494 CA LYS B 135 -35.019 51.940 13.315 1.00 43.87 C +ATOM 495 C LYS B 135 -35.650 51.523 12.001 1.00 42.88 C +ATOM 496 O LYS B 135 -36.155 52.373 11.256 1.00 38.86 O +ATOM 497 CB LYS B 135 -36.057 51.853 14.436 1.00 50.06 C +ATOM 498 CG LYS B 135 -35.519 51.353 15.774 1.00 58.37 C +ATOM 499 CD LYS B 135 -36.572 50.501 16.481 1.00 65.49 C +ATOM 500 CE LYS B 135 -36.013 49.789 17.707 1.00 68.92 C +ATOM 501 NZ LYS B 135 -37.108 49.335 18.614 1.00 68.60 N +ATOM 502 N ARG B 136 -35.625 50.221 11.721 1.00 41.42 N +ATOM 503 CA ARG B 136 -36.240 49.666 10.516 1.00 42.01 C +ATOM 504 C ARG B 136 -37.633 50.256 10.278 1.00 36.71 C +ATOM 505 O ARG B 136 -38.439 50.372 11.208 1.00 34.24 O +ATOM 506 CB ARG B 136 -36.314 48.137 10.604 1.00 50.24 C +ATOM 507 CG ARG B 136 -36.744 47.452 9.309 1.00 57.80 C +ATOM 508 CD ARG B 136 -35.817 46.335 8.852 1.00 66.99 C +ATOM 509 NE ARG B 136 -35.874 45.167 9.733 1.00 74.89 N +ATOM 510 CZ ARG B 136 -36.381 43.983 9.391 1.00 80.41 C +ATOM 511 NH1 ARG B 136 -36.887 43.789 8.175 1.00 82.11 N +ATOM 512 NH2 ARG B 136 -36.386 42.985 10.269 1.00 81.12 N +ATOM 513 N GLY B 137 -37.879 50.663 9.038 1.00 31.94 N +ATOM 514 CA GLY B 137 -39.159 51.209 8.639 1.00 37.12 C +ATOM 515 C GLY B 137 -39.326 52.705 8.859 1.00 37.97 C +ATOM 516 O GLY B 137 -40.284 53.280 8.345 1.00 43.69 O +ATOM 517 N ASP B 138 -38.431 53.329 9.630 1.00 33.22 N +ATOM 518 CA ASP B 138 -38.430 54.788 9.765 1.00 33.72 C +ATOM 519 C ASP B 138 -38.170 55.380 8.392 1.00 29.26 C +ATOM 520 O ASP B 138 -37.204 55.013 7.727 1.00 33.20 O +ATOM 521 CB ASP B 138 -37.341 55.267 10.726 1.00 36.03 C +ATOM 522 CG ASP B 138 -37.676 55.008 12.175 1.00 38.81 C +ATOM 523 OD1 ASP B 138 -38.808 54.566 12.466 1.00 45.55 O +ATOM 524 OD2 ASP B 138 -36.859 55.211 13.097 1.00 39.38 O +ATOM 525 N ASP B 139 -39.052 56.267 7.956 1.00 26.97 N +ATOM 526 CA ASP B 139 -38.907 56.884 6.653 1.00 26.53 C +ATOM 527 C ASP B 139 -38.277 58.279 6.783 1.00 19.87 C +ATOM 528 O ASP B 139 -38.872 59.190 7.347 1.00 23.75 O +ATOM 529 CB ASP B 139 -40.246 56.951 5.932 1.00 26.19 C +ATOM 530 CG ASP B 139 -40.141 57.646 4.610 1.00 29.04 C +ATOM 531 OD1 ASP B 139 -39.595 57.139 3.603 1.00 34.20 O +ATOM 532 OD2 ASP B 139 -40.604 58.791 4.528 1.00 33.79 O +ATOM 533 N PRO B 140 -37.061 58.434 6.275 1.00 18.63 N +ATOM 534 CA PRO B 140 -36.322 59.700 6.418 1.00 18.48 C +ATOM 535 C PRO B 140 -37.130 60.953 6.060 1.00 18.44 C +ATOM 536 O PRO B 140 -37.077 61.911 6.829 1.00 18.91 O +ATOM 537 CB PRO B 140 -35.133 59.511 5.476 1.00 15.32 C +ATOM 538 CG PRO B 140 -34.871 58.029 5.577 1.00 20.21 C +ATOM 539 CD PRO B 140 -36.265 57.405 5.575 1.00 15.66 C +ATOM 540 N TRP B 141 -37.849 60.956 4.937 1.00 17.01 N +ATOM 541 CA TRP B 141 -38.658 62.116 4.563 1.00 17.41 C +ATOM 542 C TRP B 141 -39.759 62.372 5.571 1.00 17.41 C +ATOM 543 O TRP B 141 -40.018 63.515 5.922 1.00 15.65 O +ATOM 544 CB TRP B 141 -39.300 61.923 3.191 1.00 19.46 C +ATOM 545 CG TRP B 141 -38.459 62.319 2.045 1.00 19.41 C +ATOM 546 CD1 TRP B 141 -38.212 61.574 0.904 1.00 17.68 C +ATOM 547 CD2 TRP B 141 -37.744 63.548 1.885 1.00 19.02 C +ATOM 548 NE1 TRP B 141 -37.402 62.285 0.058 1.00 21.18 N +ATOM 549 CE2 TRP B 141 -37.095 63.495 0.633 1.00 20.22 C +ATOM 550 CE3 TRP B 141 -37.581 64.699 2.676 1.00 21.37 C +ATOM 551 CZ2 TRP B 141 -36.317 64.541 0.153 1.00 21.01 C +ATOM 552 CZ3 TRP B 141 -36.798 65.741 2.197 1.00 21.43 C +ATOM 553 CH2 TRP B 141 -36.184 65.657 0.948 1.00 19.67 C +ATOM 554 N THR B 142 -40.415 61.305 6.031 1.00 15.93 N +ATOM 555 CA THR B 142 -41.480 61.466 7.012 1.00 19.77 C +ATOM 556 C THR B 142 -40.927 62.094 8.306 1.00 16.02 C +ATOM 557 O THR B 142 -41.498 63.039 8.856 1.00 19.98 O +ATOM 558 CB THR B 142 -42.132 60.102 7.288 1.00 23.39 C +ATOM 559 OG1 THR B 142 -42.666 59.580 6.066 1.00 21.01 O +ATOM 560 CG2 THR B 142 -43.355 60.253 8.197 1.00 20.10 C +ATOM 561 N GLU B 143 -39.795 61.570 8.763 1.00 15.53 N +ATOM 562 CA GLU B 143 -39.136 62.078 9.959 1.00 16.00 C +ATOM 563 C GLU B 143 -38.729 63.523 9.771 1.00 17.38 C +ATOM 564 O GLU B 143 -38.902 64.338 10.669 1.00 18.02 O +ATOM 565 CB GLU B 143 -37.922 61.232 10.288 1.00 15.44 C +ATOM 566 CG GLU B 143 -38.263 59.801 10.635 1.00 17.46 C +ATOM 567 CD GLU B 143 -38.975 59.675 11.972 1.00 25.99 C +ATOM 568 OE1 GLU B 143 -39.126 60.686 12.687 1.00 27.50 O +ATOM 569 OE2 GLU B 143 -39.363 58.549 12.325 1.00 33.74 O +ATOM 570 N HIS B 144 -38.226 63.836 8.581 1.00 12.66 N +ATOM 571 CA HIS B 144 -37.855 65.199 8.237 1.00 14.69 C +ATOM 572 C HIS B 144 -39.050 66.123 8.422 1.00 15.97 C +ATOM 573 O HIS B 144 -38.940 67.157 9.058 1.00 17.02 O +ATOM 574 CB HIS B 144 -37.349 65.264 6.783 1.00 15.11 C +ATOM 575 CG HIS B 144 -36.284 66.292 6.552 1.00 14.35 C +ATOM 576 ND1 HIS B 144 -35.241 66.092 5.677 1.00 18.75 N +ATOM 577 CD2 HIS B 144 -36.098 67.527 7.079 1.00 17.27 C +ATOM 578 CE1 HIS B 144 -34.459 67.156 5.671 1.00 16.20 C +ATOM 579 NE2 HIS B 144 -34.950 68.037 6.523 1.00 20.66 N +ATOM 580 N ALA B 145 -40.194 65.742 7.852 1.00 15.24 N +ATOM 581 CA ALA B 145 -41.396 66.574 7.901 1.00 16.41 C +ATOM 582 C ALA B 145 -41.964 66.636 9.311 1.00 16.48 C +ATOM 583 O ALA B 145 -42.490 67.659 9.734 1.00 16.76 O +ATOM 584 CB ALA B 145 -42.458 66.040 6.902 1.00 9.85 C +ATOM 585 N LYS B 146 -41.827 65.537 10.042 1.00 16.32 N +ATOM 586 CA LYS B 146 -42.331 65.465 11.403 1.00 19.89 C +ATOM 587 C LYS B 146 -41.573 66.405 12.341 1.00 19.62 C +ATOM 588 O LYS B 146 -42.161 67.159 13.121 1.00 18.80 O +ATOM 589 CB LYS B 146 -42.259 64.017 11.900 1.00 16.99 C +ATOM 590 CG LYS B 146 -42.485 63.880 13.395 1.00 29.66 C +ATOM 591 CD LYS B 146 -42.315 62.436 13.860 1.00 35.37 C +ATOM 592 CE LYS B 146 -42.526 62.341 15.372 1.00 41.02 C +ATOM 593 NZ LYS B 146 -42.385 60.939 15.874 1.00 43.76 N +ATOM 594 N TRP B 147 -40.255 66.381 12.243 1.00 20.71 N +ATOM 595 CA TRP B 147 -39.438 67.141 13.172 1.00 17.41 C +ATOM 596 C TRP B 147 -39.077 68.528 12.694 1.00 17.02 C +ATOM 597 O TRP B 147 -38.936 69.447 13.503 1.00 16.27 O +ATOM 598 CB TRP B 147 -38.176 66.353 13.450 1.00 19.66 C +ATOM 599 CG TRP B 147 -38.461 65.075 14.126 1.00 19.34 C +ATOM 600 CD1 TRP B 147 -38.366 63.826 13.590 1.00 18.51 C +ATOM 601 CD2 TRP B 147 -38.890 64.903 15.480 1.00 21.91 C +ATOM 602 NE1 TRP B 147 -38.694 62.881 14.530 1.00 21.21 N +ATOM 603 CE2 TRP B 147 -39.019 63.515 15.704 1.00 25.28 C +ATOM 604 CE3 TRP B 147 -39.158 65.784 16.542 1.00 27.88 C +ATOM 605 CZ2 TRP B 147 -39.412 62.982 16.947 1.00 30.38 C +ATOM 606 CZ3 TRP B 147 -39.552 65.258 17.778 1.00 28.57 C +ATOM 607 CH2 TRP B 147 -39.682 63.866 17.965 1.00 29.11 C +ATOM 608 N PHE B 148 -38.904 68.690 11.380 1.00 17.88 N +ATOM 609 CA PHE B 148 -38.389 69.953 10.841 1.00 16.86 C +ATOM 610 C PHE B 148 -39.253 70.505 9.715 1.00 15.86 C +ATOM 611 O PHE B 148 -38.786 70.658 8.587 1.00 17.26 O +ATOM 612 CB PHE B 148 -36.928 69.765 10.402 1.00 17.99 C +ATOM 613 CG PHE B 148 -36.153 68.873 11.319 1.00 15.85 C +ATOM 614 CD1 PHE B 148 -35.904 69.257 12.635 1.00 17.00 C +ATOM 615 CD2 PHE B 148 -35.697 67.636 10.883 1.00 17.84 C +ATOM 616 CE1 PHE B 148 -35.219 68.410 13.508 1.00 12.44 C +ATOM 617 CE2 PHE B 148 -34.983 66.805 11.736 1.00 16.25 C +ATOM 618 CZ PHE B 148 -34.759 67.187 13.053 1.00 14.02 C +ATOM 619 N PRO B 149 -40.514 70.816 10.021 1.00 15.33 N +ATOM 620 CA PRO B 149 -41.495 71.122 8.972 1.00 16.31 C +ATOM 621 C PRO B 149 -41.170 72.379 8.167 1.00 19.43 C +ATOM 622 O PRO B 149 -41.621 72.485 7.040 1.00 20.24 O +ATOM 623 CB PRO B 149 -42.823 71.278 9.744 1.00 15.73 C +ATOM 624 CG PRO B 149 -42.398 71.643 11.134 1.00 15.06 C +ATOM 625 CD PRO B 149 -41.108 70.880 11.373 1.00 14.92 C +ATOM 626 N SER B 150 -40.376 73.300 8.704 1.00 21.22 N +ATOM 627 CA SER B 150 -40.097 74.524 7.959 1.00 17.40 C +ATOM 628 C SER B 150 -38.825 74.422 7.086 1.00 14.98 C +ATOM 629 O SER B 150 -38.451 75.371 6.418 1.00 17.66 O +ATOM 630 CB SER B 150 -40.035 75.715 8.912 1.00 22.40 C +ATOM 631 OG SER B 150 -38.710 75.852 9.391 1.00 33.34 O +ATOM 632 N CYS B 151 -38.164 73.270 7.098 1.00 16.49 N +ATOM 633 CA CYS B 151 -36.958 73.087 6.302 1.00 18.83 C +ATOM 634 C CYS B 151 -37.273 73.332 4.833 1.00 18.70 C +ATOM 635 O CYS B 151 -38.121 72.653 4.240 1.00 19.66 O +ATOM 636 CB CYS B 151 -36.415 71.673 6.469 1.00 16.85 C +ATOM 637 SG CYS B 151 -35.047 71.326 5.335 1.00 17.24 S +ATOM 638 N GLN B 152 -36.574 74.286 4.237 1.00 18.17 N +ATOM 639 CA GLN B 152 -36.859 74.671 2.851 1.00 21.49 C +ATOM 640 C GLN B 152 -36.499 73.565 1.864 1.00 19.81 C +ATOM 641 O GLN B 152 -37.148 73.416 0.828 1.00 17.73 O +ATOM 642 CB GLN B 152 -36.158 75.982 2.495 1.00 22.81 C +ATOM 643 CG GLN B 152 -36.858 77.206 3.096 1.00 27.78 C +ATOM 644 CD GLN B 152 -35.896 78.368 3.322 1.00 32.44 C +ATOM 645 OE1 GLN B 152 -35.605 79.123 2.393 1.00 38.08 O +ATOM 646 NE2 GLN B 152 -35.394 78.506 4.549 1.00 31.05 N +ATOM 647 N PHE B 153 -35.475 72.777 2.193 1.00 18.38 N +ATOM 648 CA PHE B 153 -35.083 71.685 1.321 1.00 17.60 C +ATOM 649 C PHE B 153 -36.164 70.616 1.332 1.00 13.82 C +ATOM 650 O PHE B 153 -36.520 70.048 0.299 1.00 18.49 O +ATOM 651 CB PHE B 153 -33.748 71.068 1.751 1.00 14.92 C +ATOM 652 CG PHE B 153 -33.408 69.808 0.986 1.00 16.24 C +ATOM 653 CD1 PHE B 153 -32.981 69.881 -0.338 1.00 17.75 C +ATOM 654 CD2 PHE B 153 -33.566 68.562 1.572 1.00 15.57 C +ATOM 655 CE1 PHE B 153 -32.669 68.727 -1.062 1.00 19.54 C +ATOM 656 CE2 PHE B 153 -33.265 67.391 0.855 1.00 18.54 C +ATOM 657 CZ PHE B 153 -32.818 67.482 -0.467 1.00 19.91 C +ATOM 658 N LEU B 154 -36.663 70.334 2.524 1.00 14.63 N +ATOM 659 CA LEU B 154 -37.761 69.414 2.684 1.00 18.79 C +ATOM 660 C LEU B 154 -38.964 69.935 1.893 1.00 17.34 C +ATOM 661 O LEU B 154 -39.551 69.201 1.104 1.00 17.07 O +ATOM 662 CB LEU B 154 -38.104 69.269 4.160 1.00 16.75 C +ATOM 663 CG LEU B 154 -39.523 68.782 4.477 1.00 21.35 C +ATOM 664 CD1 LEU B 154 -39.714 67.286 4.185 1.00 16.74 C +ATOM 665 CD2 LEU B 154 -39.841 69.098 5.934 1.00 21.09 C +ATOM 666 N LEU B 155 -39.303 71.211 2.094 1.00 18.20 N +ATOM 667 CA LEU B 155 -40.480 71.786 1.458 1.00 20.36 C +ATOM 668 C LEU B 155 -40.342 71.810 -0.066 1.00 21.50 C +ATOM 669 O LEU B 155 -41.288 71.516 -0.781 1.00 21.95 O +ATOM 670 CB LEU B 155 -40.775 73.177 2.013 1.00 21.36 C +ATOM 671 CG LEU B 155 -41.459 73.166 3.389 1.00 23.64 C +ATOM 672 CD1 LEU B 155 -41.341 74.544 4.068 1.00 19.47 C +ATOM 673 CD2 LEU B 155 -42.935 72.734 3.274 1.00 23.17 C +ATOM 674 N ARG B 156 -39.150 72.134 -0.548 1.00 20.67 N +ATOM 675 CA ARG B 156 -38.877 72.146 -1.974 1.00 19.79 C +ATOM 676 C ARG B 156 -39.002 70.747 -2.535 1.00 18.70 C +ATOM 677 O ARG B 156 -39.494 70.562 -3.648 1.00 18.14 O +ATOM 678 CB ARG B 156 -37.461 72.661 -2.225 1.00 25.29 C +ATOM 679 CG ARG B 156 -37.127 72.942 -3.668 1.00 40.73 C +ATOM 680 CD ARG B 156 -35.629 73.059 -3.936 1.00 50.40 C +ATOM 681 NE ARG B 156 -35.214 74.447 -4.135 1.00 56.22 N +ATOM 682 CZ ARG B 156 -34.020 74.824 -4.598 1.00 60.78 C +ATOM 683 NH1 ARG B 156 -33.098 73.917 -4.918 1.00 59.31 N +ATOM 684 NH2 ARG B 156 -33.745 76.116 -4.740 1.00 60.96 N +ATOM 685 N SER B 157 -38.533 69.758 -1.773 1.00 14.64 N +ATOM 686 CA SER B 157 -38.441 68.402 -2.289 1.00 18.35 C +ATOM 687 C SER B 157 -39.774 67.682 -2.228 1.00 20.72 C +ATOM 688 O SER B 157 -40.133 66.949 -3.160 1.00 17.62 O +ATOM 689 CB SER B 157 -37.423 67.570 -1.497 1.00 19.84 C +ATOM 690 OG SER B 157 -36.104 68.024 -1.658 1.00 23.18 O +ATOM 691 N LYS B 158 -40.491 67.877 -1.118 1.00 14.87 N +ATOM 692 CA LYS B 158 -41.666 67.064 -0.832 1.00 16.17 C +ATOM 693 C LYS B 158 -42.965 67.846 -0.960 1.00 14.29 C +ATOM 694 O LYS B 158 -44.014 67.249 -1.088 1.00 16.95 O +ATOM 695 CB LYS B 158 -41.545 66.441 0.565 1.00 15.26 C +ATOM 696 CG LYS B 158 -40.412 65.423 0.707 1.00 16.30 C +ATOM 697 CD LYS B 158 -40.590 64.227 -0.206 1.00 16.05 C +ATOM 698 CE LYS B 158 -41.758 63.372 0.285 1.00 21.54 C +ATOM 699 NZ LYS B 158 -42.082 62.322 -0.696 1.00 27.17 N +ATOM 700 N GLY B 159 -42.879 69.175 -0.918 1.00 14.60 N +ATOM 701 CA GLY B 159 -44.040 70.041 -1.052 1.00 19.90 C +ATOM 702 C GLY B 159 -44.696 70.334 0.286 1.00 21.51 C +ATOM 703 O GLY B 159 -44.535 69.569 1.242 1.00 17.65 O +ATOM 704 N ARG B 160 -45.439 71.436 0.343 1.00 19.76 N +ATOM 705 CA ARG B 160 -46.174 71.818 1.552 1.00 23.35 C +ATOM 706 C ARG B 160 -47.199 70.768 1.987 1.00 20.73 C +ATOM 707 O ARG B 160 -47.361 70.508 3.175 1.00 23.76 O +ATOM 708 CB ARG B 160 -46.871 73.161 1.352 1.00 29.51 C +ATOM 709 CG ARG B 160 -45.938 74.364 1.388 1.00 41.96 C +ATOM 710 CD ARG B 160 -46.588 75.661 0.913 1.00 54.15 C +ATOM 711 NE ARG B 160 -47.029 76.501 2.026 1.00 65.04 N +ATOM 712 CZ ARG B 160 -48.223 77.091 2.107 1.00 71.63 C +ATOM 713 NH1 ARG B 160 -49.123 76.946 1.138 1.00 72.75 N +ATOM 714 NH2 ARG B 160 -48.520 77.831 3.169 1.00 74.30 N +ATOM 715 N ASP B 161 -47.891 70.170 1.027 1.00 16.65 N +ATOM 716 CA ASP B 161 -48.938 69.196 1.347 1.00 19.32 C +ATOM 717 C ASP B 161 -48.392 68.028 2.141 1.00 18.15 C +ATOM 718 O ASP B 161 -48.963 67.639 3.169 1.00 19.65 O +ATOM 719 CB ASP B 161 -49.643 68.712 0.083 1.00 17.32 C +ATOM 720 CG ASP B 161 -50.427 69.813 -0.593 1.00 24.03 C +ATOM 721 OD1 ASP B 161 -50.489 70.930 -0.025 1.00 27.61 O +ATOM 722 OD2 ASP B 161 -51.028 69.656 -1.679 1.00 26.64 O +ATOM 723 N PHE B 162 -47.280 67.482 1.675 1.00 15.64 N +ATOM 724 CA PHE B 162 -46.642 66.380 2.364 1.00 15.26 C +ATOM 725 C PHE B 162 -46.325 66.741 3.809 1.00 16.87 C +ATOM 726 O PHE B 162 -46.617 65.984 4.741 1.00 20.81 O +ATOM 727 CB PHE B 162 -45.348 65.990 1.666 1.00 14.87 C +ATOM 728 CG PHE B 162 -44.597 64.886 2.363 1.00 13.69 C +ATOM 729 CD1 PHE B 162 -44.937 63.558 2.149 1.00 17.59 C +ATOM 730 CD2 PHE B 162 -43.550 65.181 3.239 1.00 13.54 C +ATOM 731 CE1 PHE B 162 -44.220 62.516 2.782 1.00 15.32 C +ATOM 732 CE2 PHE B 162 -42.842 64.155 3.875 1.00 15.69 C +ATOM 733 CZ PHE B 162 -43.192 62.825 3.653 1.00 14.93 C +ATOM 734 N VAL B 163 -45.715 67.901 3.985 1.00 18.21 N +ATOM 735 CA VAL B 163 -45.263 68.316 5.291 1.00 16.70 C +ATOM 736 C VAL B 163 -46.478 68.549 6.178 1.00 18.99 C +ATOM 737 O VAL B 163 -46.532 68.091 7.318 1.00 18.59 O +ATOM 738 CB VAL B 163 -44.406 69.586 5.188 1.00 18.61 C +ATOM 739 CG1 VAL B 163 -44.125 70.155 6.572 1.00 16.57 C +ATOM 740 CG2 VAL B 163 -43.102 69.270 4.452 1.00 15.65 C +ATOM 741 N HIS B 164 -47.454 69.268 5.644 1.00 19.49 N +ATOM 742 CA HIS B 164 -48.692 69.502 6.363 1.00 23.78 C +ATOM 743 C HIS B 164 -49.372 68.170 6.754 1.00 20.56 C +ATOM 744 O HIS B 164 -49.814 67.995 7.884 1.00 18.80 O +ATOM 745 CB HIS B 164 -49.615 70.352 5.504 1.00 27.98 C +ATOM 746 CG HIS B 164 -50.885 70.730 6.182 1.00 33.82 C +ATOM 747 ND1 HIS B 164 -52.067 70.060 5.965 1.00 35.73 N +ATOM 748 CD2 HIS B 164 -51.162 71.710 7.074 1.00 40.06 C +ATOM 749 CE1 HIS B 164 -53.023 70.621 6.685 1.00 39.01 C +ATOM 750 NE2 HIS B 164 -52.499 71.620 7.372 1.00 39.10 N +ATOM 751 N SER B 165 -49.419 67.229 5.819 1.00 16.75 N +ATOM 752 CA SER B 165 -50.024 65.926 6.074 1.00 19.20 C +ATOM 753 C SER B 165 -49.288 65.161 7.169 1.00 21.00 C +ATOM 754 O SER B 165 -49.912 64.579 8.056 1.00 16.56 O +ATOM 755 CB SER B 165 -50.055 65.099 4.796 1.00 13.57 C +ATOM 756 OG SER B 165 -50.933 65.710 3.871 1.00 19.48 O +ATOM 757 N VAL B 166 -47.963 65.164 7.102 1.00 17.25 N +ATOM 758 CA VAL B 166 -47.167 64.513 8.131 1.00 18.10 C +ATOM 759 C VAL B 166 -47.384 65.181 9.485 1.00 17.48 C +ATOM 760 O VAL B 166 -47.526 64.486 10.489 1.00 21.09 O +ATOM 761 CB VAL B 166 -45.660 64.472 7.778 1.00 17.70 C +ATOM 762 CG1 VAL B 166 -44.842 63.953 8.961 1.00 13.99 C +ATOM 763 CG2 VAL B 166 -45.447 63.568 6.574 1.00 13.97 C +ATOM 764 N GLN B 167 -47.438 66.512 9.518 1.00 20.44 N +ATOM 765 CA GLN B 167 -47.694 67.230 10.781 1.00 23.69 C +ATOM 766 C GLN B 167 -49.043 66.824 11.409 1.00 27.57 C +ATOM 767 O GLN B 167 -49.119 66.576 12.612 1.00 28.40 O +ATOM 768 CB GLN B 167 -47.614 68.756 10.592 1.00 23.03 C +ATOM 769 CG GLN B 167 -46.175 69.307 10.470 1.00 25.10 C +ATOM 770 CD GLN B 167 -45.394 69.201 11.772 1.00 25.74 C +ATOM 771 OE1 GLN B 167 -45.808 69.741 12.779 1.00 27.71 O +ATOM 772 NE2 GLN B 167 -44.267 68.507 11.746 1.00 26.67 N +ATOM 773 N GLU B 168 -50.095 66.731 10.591 1.00 26.11 N +ATOM 774 CA GLU B 168 -51.416 66.323 11.085 1.00 30.60 C +ATOM 775 C GLU B 168 -51.480 64.878 11.568 1.00 29.13 C +ATOM 776 O GLU B 168 -52.247 64.574 12.465 1.00 32.85 O +ATOM 777 CB GLU B 168 -52.496 66.467 10.014 1.00 35.17 C +ATOM 778 CG GLU B 168 -52.686 67.834 9.404 1.00 42.10 C +ATOM 779 CD GLU B 168 -53.702 67.768 8.284 1.00 49.48 C +ATOM 780 OE1 GLU B 168 -54.912 67.737 8.593 1.00 51.99 O +ATOM 781 OE2 GLU B 168 -53.293 67.702 7.101 1.00 54.63 O +ATOM 782 N THR B 169 -50.725 63.979 10.946 1.00 27.08 N +ATOM 783 CA THR B 169 -50.823 62.568 11.303 1.00 32.04 C +ATOM 784 C THR B 169 -49.797 62.129 12.342 1.00 39.98 C +ATOM 785 O THR B 169 -49.930 61.056 12.934 1.00 41.22 O +ATOM 786 CB THR B 169 -50.699 61.684 10.075 1.00 33.28 C +ATOM 787 OG1 THR B 169 -49.483 61.991 9.393 1.00 33.39 O +ATOM 788 CG2 THR B 169 -51.768 62.037 9.050 1.00 36.13 C +ATOM 789 N HIS B 170 -48.762 62.940 12.534 1.00 43.22 N +ATOM 790 CA HIS B 170 -47.675 62.596 13.444 1.00 49.80 C +ATOM 791 C HIS B 170 -47.542 63.674 14.514 1.00 57.58 C +ATOM 792 O HIS B 170 -46.478 64.286 14.661 1.00 60.18 O +ATOM 793 CB HIS B 170 -46.354 62.415 12.680 1.00 46.33 C +ATOM 794 CG HIS B 170 -46.359 61.267 11.721 1.00 44.73 C +ATOM 795 ND1 HIS B 170 -47.136 61.249 10.582 1.00 44.00 N +ATOM 796 CD2 HIS B 170 -45.672 60.101 11.724 1.00 46.97 C +ATOM 797 CE1 HIS B 170 -46.937 60.117 9.932 1.00 46.50 C +ATOM 798 NE2 HIS B 170 -46.053 59.401 10.603 1.00 48.05 N +ATOM 799 N SER B 171 -48.646 63.897 15.235 1.00 64.12 N +ATOM 800 CA SER B 171 -48.756 64.828 16.368 1.00 70.58 C +ATOM 801 C SER B 171 -49.979 65.736 16.221 1.00 74.17 C +ATOM 802 O SER B 171 -50.062 66.805 16.828 1.00 76.90 O +ATOM 803 CB SER B 171 -47.486 65.666 16.565 1.00 71.93 C +ATOM 804 OG SER B 171 -46.515 64.959 17.322 1.00 71.76 O Added: SwiftApps/modFTdock/input/1oxn-3.pdb =================================================================== --- SwiftApps/modFTdock/input/1oxn-3.pdb (rev 0) +++ SwiftApps/modFTdock/input/1oxn-3.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,804 @@ +ATOM 1 N ALA C 71 -41.578 56.818 18.630 1.00 76.22 N +ATOM 2 CA ALA C 71 -42.004 55.863 17.567 1.00 74.82 C +ATOM 3 C ALA C 71 -40.839 55.545 16.629 1.00 71.76 C +ATOM 4 O ALA C 71 -40.371 54.402 16.569 1.00 74.24 O +ATOM 5 CB ALA C 71 -43.198 56.426 16.786 1.00 76.07 C +ATOM 6 N GLY C 72 -40.373 56.564 15.910 1.00 64.01 N +ATOM 7 CA GLY C 72 -39.271 56.414 14.980 1.00 54.12 C +ATOM 8 C GLY C 72 -37.969 57.013 15.479 1.00 46.00 C +ATOM 9 O GLY C 72 -37.563 56.805 16.621 1.00 47.07 O +ATOM 10 N ALA C 73 -37.303 57.752 14.602 1.00 40.57 N +ATOM 11 CA ALA C 73 -36.050 58.410 14.934 1.00 29.81 C +ATOM 12 C ALA C 73 -36.297 59.423 16.036 1.00 29.28 C +ATOM 13 O ALA C 73 -37.437 59.868 16.245 1.00 26.85 O +ATOM 14 CB ALA C 73 -35.491 59.096 13.701 1.00 28.37 C +ATOM 15 N THR C 74 -35.242 59.796 16.751 1.00 27.24 N +ATOM 16 CA THR C 74 -35.394 60.797 17.804 1.00 27.88 C +ATOM 17 C THR C 74 -34.487 61.992 17.535 1.00 26.37 C +ATOM 18 O THR C 74 -33.453 61.861 16.875 1.00 27.08 O +ATOM 19 CB THR C 74 -35.067 60.186 19.183 1.00 31.19 C +ATOM 20 OG1 THR C 74 -33.765 59.597 19.132 1.00 37.42 O +ATOM 21 CG2 THR C 74 -35.962 58.980 19.490 1.00 33.50 C +ATOM 22 N LEU C 75 -34.889 63.150 18.051 1.00 22.63 N +ATOM 23 CA LEU C 75 -34.088 64.356 18.013 1.00 26.14 C +ATOM 24 C LEU C 75 -32.763 64.161 18.729 1.00 28.31 C +ATOM 25 O LEU C 75 -32.722 63.693 19.874 1.00 31.89 O +ATOM 26 CB LEU C 75 -34.832 65.479 18.722 1.00 29.19 C +ATOM 27 CG LEU C 75 -35.394 66.684 17.988 1.00 34.53 C +ATOM 28 CD1 LEU C 75 -35.678 66.429 16.519 1.00 32.72 C +ATOM 29 CD2 LEU C 75 -36.653 67.097 18.727 1.00 35.67 C +ATOM 30 N SER C 76 -31.681 64.546 18.067 1.00 26.78 N +ATOM 31 CA SER C 76 -30.377 64.571 18.712 1.00 27.33 C +ATOM 32 C SER C 76 -30.364 65.648 19.770 1.00 25.32 C +ATOM 33 O SER C 76 -31.091 66.634 19.668 1.00 26.88 O +ATOM 34 CB SER C 76 -29.286 64.801 17.676 1.00 29.31 C +ATOM 35 OG SER C 76 -29.164 63.639 16.879 1.00 33.27 O +ATOM 36 N ARG C 77 -29.545 65.447 20.789 1.00 25.71 N +ATOM 37 CA ARG C 77 -29.533 66.296 21.978 1.00 28.89 C +ATOM 38 C ARG C 77 -28.511 67.420 21.897 1.00 29.73 C +ATOM 39 O ARG C 77 -28.604 68.405 22.617 1.00 33.60 O +ATOM 40 CB ARG C 77 -29.254 65.451 23.222 1.00 34.37 C +ATOM 41 CG ARG C 77 -30.440 64.640 23.712 1.00 46.80 C +ATOM 42 CD ARG C 77 -30.215 63.984 25.080 1.00 59.47 C +ATOM 43 NE ARG C 77 -31.163 64.470 26.089 1.00 69.68 N +ATOM 44 CZ ARG C 77 -30.991 65.559 26.843 1.00 73.79 C +ATOM 45 NH1 ARG C 77 -29.897 66.308 26.728 1.00 73.82 N +ATOM 46 NH2 ARG C 77 -31.926 65.902 27.721 1.00 75.27 N +ATOM 47 N GLY C 78 -27.528 67.279 21.024 1.00 27.68 N +ATOM 48 CA GLY C 78 -26.507 68.300 20.915 1.00 32.55 C +ATOM 49 C GLY C 78 -27.012 69.605 20.319 1.00 28.83 C +ATOM 50 O GLY C 78 -27.696 69.589 19.302 1.00 31.76 O +ATOM 51 N PRO C 79 -26.664 70.732 20.937 1.00 28.50 N +ATOM 52 CA PRO C 79 -26.899 72.043 20.321 1.00 27.11 C +ATOM 53 C PRO C 79 -26.089 72.159 19.042 1.00 24.69 C +ATOM 54 O PRO C 79 -24.986 71.622 18.976 1.00 28.65 O +ATOM 55 CB PRO C 79 -26.350 73.025 21.357 1.00 26.13 C +ATOM 56 CG PRO C 79 -26.323 72.242 22.645 1.00 30.03 C +ATOM 57 CD PRO C 79 -26.011 70.844 22.257 1.00 29.32 C +ATOM 58 N ALA C 80 -26.627 72.847 18.043 1.00 20.72 N +ATOM 59 CA ALA C 80 -25.889 73.090 16.819 1.00 22.54 C +ATOM 60 C ALA C 80 -24.605 73.850 17.133 1.00 26.48 C +ATOM 61 O ALA C 80 -23.541 73.519 16.597 1.00 25.92 O +ATOM 62 CB ALA C 80 -26.723 73.875 15.846 1.00 20.98 C +ATOM 63 N PHE C 81 -24.721 74.868 17.994 1.00 22.39 N +ATOM 64 CA PHE C 81 -23.613 75.771 18.304 1.00 22.03 C +ATOM 65 C PHE C 81 -23.480 75.871 19.822 1.00 23.22 C +ATOM 66 O PHE C 81 -23.938 76.829 20.429 1.00 26.75 O +ATOM 67 CB PHE C 81 -23.830 77.143 17.643 1.00 22.35 C +ATOM 68 CG PHE C 81 -22.592 78.030 17.608 1.00 23.46 C +ATOM 69 CD1 PHE C 81 -21.448 77.720 18.348 1.00 25.24 C +ATOM 70 CD2 PHE C 81 -22.593 79.199 16.846 1.00 27.27 C +ATOM 71 CE1 PHE C 81 -20.312 78.553 18.319 1.00 28.46 C +ATOM 72 CE2 PHE C 81 -21.464 80.047 16.808 1.00 23.79 C +ATOM 73 CZ PHE C 81 -20.329 79.723 17.549 1.00 24.45 C +ATOM 74 N PRO C 82 -22.839 74.870 20.423 1.00 24.21 N +ATOM 75 CA PRO C 82 -22.766 74.744 21.882 1.00 27.94 C +ATOM 76 C PRO C 82 -22.158 75.994 22.523 1.00 30.17 C +ATOM 77 O PRO C 82 -22.645 76.455 23.553 1.00 31.49 O +ATOM 78 CB PRO C 82 -21.838 73.534 22.096 1.00 28.22 C +ATOM 79 CG PRO C 82 -21.867 72.779 20.795 1.00 29.82 C +ATOM 80 CD PRO C 82 -22.089 73.805 19.724 1.00 24.46 C +ATOM 81 N GLY C 83 -21.121 76.544 21.905 1.00 31.38 N +ATOM 82 CA GLY C 83 -20.518 77.771 22.388 1.00 33.35 C +ATOM 83 C GLY C 83 -21.545 78.857 22.646 1.00 36.61 C +ATOM 84 O GLY C 83 -21.406 79.637 23.591 1.00 39.43 O +ATOM 85 N MET C 84 -22.589 78.895 21.822 1.00 32.10 N +ATOM 86 CA MET C 84 -23.599 79.937 21.939 1.00 29.67 C +ATOM 87 C MET C 84 -24.742 79.561 22.898 1.00 29.45 C +ATOM 88 O MET C 84 -25.789 80.202 22.913 1.00 29.76 O +ATOM 89 CB MET C 84 -24.114 80.330 20.558 1.00 27.99 C +ATOM 90 CG MET C 84 -23.242 81.345 19.834 1.00 30.84 C +ATOM 91 SD MET C 84 -23.064 82.883 20.771 1.00 35.56 S +ATOM 92 CE MET C 84 -22.211 83.844 19.616 1.00 32.04 C +ATOM 93 N GLY C 85 -24.526 78.517 23.692 1.00 31.21 N +ATOM 94 CA GLY C 85 -25.445 78.136 24.753 1.00 35.16 C +ATOM 95 C GLY C 85 -25.559 79.208 25.824 1.00 37.43 C +ATOM 96 O GLY C 85 -26.605 79.363 26.461 1.00 38.25 O +ATOM 97 N SER C 86 -24.480 79.959 26.014 1.00 37.58 N +ATOM 98 CA SER C 86 -24.487 81.090 26.937 1.00 37.44 C +ATOM 99 C SER C 86 -25.239 82.269 26.339 1.00 31.35 C +ATOM 100 O SER C 86 -24.866 82.789 25.285 1.00 32.04 O +ATOM 101 CB SER C 86 -23.050 81.492 27.316 1.00 38.79 C +ATOM 102 OG SER C 86 -22.903 82.899 27.388 1.00 41.43 O +ATOM 103 N GLU C 87 -26.286 82.700 27.034 1.00 32.58 N +ATOM 104 CA GLU C 87 -27.066 83.868 26.641 1.00 37.11 C +ATOM 105 C GLU C 87 -26.189 85.113 26.547 1.00 38.14 C +ATOM 106 O GLU C 87 -26.378 85.958 25.663 1.00 36.12 O +ATOM 107 CB GLU C 87 -28.209 84.118 27.628 1.00 35.24 C +ATOM 108 CG GLU C 87 -29.100 85.278 27.226 1.00 39.50 C +ATOM 109 CD GLU C 87 -30.321 85.453 28.109 1.00 44.57 C +ATOM 110 OE1 GLU C 87 -30.611 84.586 28.964 1.00 46.47 O +ATOM 111 OE2 GLU C 87 -31.007 86.479 27.935 1.00 48.00 O +ATOM 112 N GLU C 88 -25.245 85.205 27.479 1.00 40.34 N +ATOM 113 CA GLU C 88 -24.272 86.282 27.531 1.00 44.55 C +ATOM 114 C GLU C 88 -23.505 86.367 26.216 1.00 38.47 C +ATOM 115 O GLU C 88 -23.413 87.443 25.619 1.00 35.30 O +ATOM 116 CB GLU C 88 -23.309 86.045 28.699 1.00 54.20 C +ATOM 117 CG GLU C 88 -22.753 87.307 29.335 1.00 64.94 C +ATOM 118 CD GLU C 88 -21.901 87.002 30.555 1.00 72.13 C +ATOM 119 OE1 GLU C 88 -22.479 86.687 31.619 1.00 76.01 O +ATOM 120 OE2 GLU C 88 -20.656 87.066 30.446 1.00 73.58 O +ATOM 121 N LEU C 89 -22.974 85.229 25.762 1.00 34.84 N +ATOM 122 CA LEU C 89 -22.272 85.178 24.470 1.00 36.07 C +ATOM 123 C LEU C 89 -23.190 85.503 23.291 1.00 36.48 C +ATOM 124 O LEU C 89 -22.773 86.172 22.345 1.00 40.96 O +ATOM 125 CB LEU C 89 -21.551 83.841 24.268 1.00 38.15 C +ATOM 126 CG LEU C 89 -20.363 83.514 25.186 1.00 41.98 C +ATOM 127 CD1 LEU C 89 -19.500 82.397 24.589 1.00 42.77 C +ATOM 128 CD2 LEU C 89 -19.505 84.749 25.490 1.00 43.19 C +ATOM 129 N ARG C 90 -24.448 85.065 23.363 1.00 34.74 N +ATOM 130 CA ARG C 90 -25.414 85.374 22.301 1.00 34.32 C +ATOM 131 C ARG C 90 -25.709 86.865 22.245 1.00 35.32 C +ATOM 132 O ARG C 90 -25.797 87.441 21.158 1.00 34.38 O +ATOM 133 CB ARG C 90 -26.721 84.609 22.490 1.00 27.03 C +ATOM 134 CG ARG C 90 -26.595 83.105 22.357 1.00 25.62 C +ATOM 135 CD ARG C 90 -27.934 82.409 22.106 1.00 25.80 C +ATOM 136 NE ARG C 90 -28.906 82.613 23.186 1.00 22.21 N +ATOM 137 CZ ARG C 90 -28.940 81.917 24.325 1.00 23.59 C +ATOM 138 NH1 ARG C 90 -28.043 80.959 24.558 1.00 18.00 N +ATOM 139 NH2 ARG C 90 -29.884 82.172 25.231 1.00 21.47 N +ATOM 140 N LEU C 91 -25.886 87.469 23.421 1.00 37.25 N +ATOM 141 CA LEU C 91 -26.121 88.906 23.531 1.00 37.76 C +ATOM 142 C LEU C 91 -24.940 89.685 22.957 1.00 33.15 C +ATOM 143 O LEU C 91 -25.131 90.581 22.140 1.00 34.55 O +ATOM 144 CB LEU C 91 -26.375 89.326 24.989 1.00 38.89 C +ATOM 145 CG LEU C 91 -27.485 90.354 25.267 1.00 42.42 C +ATOM 146 CD1 LEU C 91 -27.127 91.287 26.434 1.00 42.60 C +ATOM 147 CD2 LEU C 91 -27.883 91.177 24.040 1.00 40.63 C +ATOM 148 N ALA C 92 -23.729 89.325 23.376 1.00 30.99 N +ATOM 149 CA ALA C 92 -22.510 89.955 22.850 1.00 35.90 C +ATOM 150 C ALA C 92 -22.445 89.905 21.318 1.00 39.24 C +ATOM 151 O ALA C 92 -21.917 90.831 20.688 1.00 40.19 O +ATOM 152 CB ALA C 92 -21.272 89.318 23.457 1.00 35.33 C +ATOM 153 N SER C 93 -23.007 88.847 20.722 1.00 33.60 N +ATOM 154 CA SER C 93 -22.967 88.676 19.265 1.00 28.61 C +ATOM 155 C SER C 93 -23.721 89.775 18.561 1.00 28.30 C +ATOM 156 O SER C 93 -23.536 89.977 17.370 1.00 31.31 O +ATOM 157 CB SER C 93 -23.482 87.294 18.826 1.00 30.42 C +ATOM 158 OG SER C 93 -24.904 87.217 18.824 1.00 31.96 O +ATOM 159 N PHE C 94 -24.550 90.505 19.307 1.00 32.35 N +ATOM 160 CA PHE C 94 -25.343 91.591 18.734 1.00 35.36 C +ATOM 161 C PHE C 94 -24.672 92.977 18.817 1.00 42.43 C +ATOM 162 O PHE C 94 -25.324 94.000 18.587 1.00 40.77 O +ATOM 163 CB PHE C 94 -26.729 91.629 19.381 1.00 35.13 C +ATOM 164 CG PHE C 94 -27.607 90.460 19.006 1.00 33.23 C +ATOM 165 CD1 PHE C 94 -28.406 90.511 17.875 1.00 33.76 C +ATOM 166 CD2 PHE C 94 -27.624 89.310 19.784 1.00 30.84 C +ATOM 167 CE1 PHE C 94 -29.212 89.428 17.522 1.00 34.04 C +ATOM 168 CE2 PHE C 94 -28.430 88.231 19.444 1.00 31.92 C +ATOM 169 CZ PHE C 94 -29.219 88.290 18.307 1.00 30.44 C +ATOM 170 N TYR C 95 -23.378 93.008 19.127 1.00 48.51 N +ATOM 171 CA TYR C 95 -22.614 94.265 19.161 1.00 54.64 C +ATOM 172 C TYR C 95 -22.815 95.135 17.908 1.00 55.75 C +ATOM 173 O TYR C 95 -22.958 96.359 18.012 1.00 54.91 O +ATOM 174 CB TYR C 95 -21.124 93.991 19.402 1.00 58.48 C +ATOM 175 CG TYR C 95 -20.395 93.384 18.220 1.00 64.09 C +ATOM 176 CD1 TYR C 95 -20.405 92.007 18.004 1.00 66.07 C +ATOM 177 CD2 TYR C 95 -19.688 94.187 17.322 1.00 66.41 C +ATOM 178 CE1 TYR C 95 -19.741 91.444 16.924 1.00 68.38 C +ATOM 179 CE2 TYR C 95 -19.021 93.634 16.235 1.00 68.43 C +ATOM 180 CZ TYR C 95 -19.051 92.262 16.045 1.00 70.81 C +ATOM 181 OH TYR C 95 -18.393 91.702 14.976 1.00 73.26 O +ATOM 182 N ASP C 96 -22.853 94.489 16.742 1.00 57.80 N +ATOM 183 CA ASP C 96 -23.004 95.163 15.454 1.00 60.42 C +ATOM 184 C ASP C 96 -24.412 94.976 14.871 1.00 57.76 C +ATOM 185 O ASP C 96 -24.617 95.104 13.657 1.00 56.41 O +ATOM 186 CB ASP C 96 -21.936 94.645 14.475 1.00 68.47 C +ATOM 187 CG ASP C 96 -21.720 95.563 13.271 1.00 75.57 C +ATOM 188 OD1 ASP C 96 -22.173 96.733 13.289 1.00 77.22 O +ATOM 189 OD2 ASP C 96 -21.097 95.185 12.252 1.00 78.86 O +ATOM 190 N TRP C 97 -25.379 94.681 15.740 1.00 56.11 N +ATOM 191 CA TRP C 97 -26.777 94.515 15.332 1.00 56.69 C +ATOM 192 C TRP C 97 -27.272 95.796 14.666 1.00 61.77 C +ATOM 193 O TRP C 97 -27.134 96.878 15.241 1.00 64.10 O +ATOM 194 CB TRP C 97 -27.638 94.173 16.551 1.00 52.21 C +ATOM 195 CG TRP C 97 -29.090 93.825 16.288 1.00 48.17 C +ATOM 196 CD1 TRP C 97 -30.182 94.462 16.802 1.00 47.50 C +ATOM 197 CD2 TRP C 97 -29.602 92.735 15.502 1.00 48.44 C +ATOM 198 NE1 TRP C 97 -31.338 93.854 16.374 1.00 46.56 N +ATOM 199 CE2 TRP C 97 -31.013 92.789 15.576 1.00 45.71 C +ATOM 200 CE3 TRP C 97 -29.014 91.717 14.734 1.00 46.24 C +ATOM 201 CZ2 TRP C 97 -31.840 91.879 14.908 1.00 43.77 C +ATOM 202 CZ3 TRP C 97 -29.840 90.809 14.078 1.00 45.37 C +ATOM 203 CH2 TRP C 97 -31.237 90.898 14.172 1.00 43.40 C +ATOM 204 N PRO C 98 -27.830 95.680 13.459 1.00 66.09 N +ATOM 205 CA PRO C 98 -28.266 96.848 12.689 1.00 70.61 C +ATOM 206 C PRO C 98 -29.212 97.745 13.470 1.00 77.66 C +ATOM 207 O PRO C 98 -30.023 97.258 14.265 1.00 77.81 O +ATOM 208 CB PRO C 98 -29.002 96.226 11.503 1.00 68.91 C +ATOM 209 CG PRO C 98 -28.369 94.925 11.335 1.00 66.66 C +ATOM 210 CD PRO C 98 -28.090 94.430 12.725 1.00 65.68 C +ATOM 211 N LEU C 99 -29.083 99.050 13.243 1.00 84.76 N +ATOM 212 CA LEU C 99 -29.961 100.044 13.854 1.00 88.47 C +ATOM 213 C LEU C 99 -31.176 100.306 12.954 1.00 88.63 C +ATOM 214 O LEU C 99 -32.020 101.152 13.258 1.00 89.05 O +ATOM 215 CB LEU C 99 -29.182 101.327 14.186 1.00 90.95 C +ATOM 216 CG LEU C 99 -27.943 101.098 15.070 1.00 92.70 C +ATOM 217 CD1 LEU C 99 -26.773 101.998 14.663 1.00 93.00 C +ATOM 218 CD2 LEU C 99 -28.271 101.244 16.560 1.00 93.00 C +ATOM 219 N THR C 100 -31.241 99.561 11.847 1.00 88.51 N +ATOM 220 CA THR C 100 -32.450 99.430 11.031 1.00 88.45 C +ATOM 221 C THR C 100 -33.271 98.209 11.478 1.00 87.90 C +ATOM 222 O THR C 100 -34.350 97.946 10.938 1.00 88.16 O +ATOM 223 CB THR C 100 -32.108 99.318 9.514 1.00 89.34 C +ATOM 224 OG1 THR C 100 -31.026 98.398 9.318 1.00 88.41 O +ATOM 225 CG2 THR C 100 -31.569 100.644 8.965 1.00 90.39 C +ATOM 226 N ALA C 101 -32.751 97.471 12.462 1.00 86.41 N +ATOM 227 CA ALA C 101 -33.429 96.299 13.020 1.00 84.41 C +ATOM 228 C ALA C 101 -34.260 96.674 14.248 1.00 83.21 C +ATOM 229 O ALA C 101 -33.728 97.176 15.246 1.00 83.27 O +ATOM 230 CB ALA C 101 -32.422 95.218 13.360 1.00 83.92 C +ATOM 231 N GLU C 102 -35.563 96.406 14.168 1.00 80.26 N +ATOM 232 CA GLU C 102 -36.535 96.914 15.140 1.00 77.10 C +ATOM 233 C GLU C 102 -36.828 95.977 16.325 1.00 70.65 C +ATOM 234 O GLU C 102 -37.719 96.249 17.138 1.00 70.46 O +ATOM 235 CB GLU C 102 -37.837 97.293 14.422 1.00 81.16 C +ATOM 236 CG GLU C 102 -37.691 98.372 13.354 1.00 84.14 C +ATOM 237 CD GLU C 102 -37.696 97.825 11.930 1.00 85.62 C +ATOM 238 OE1 GLU C 102 -38.154 96.682 11.706 1.00 83.90 O +ATOM 239 OE2 GLU C 102 -37.243 98.553 11.019 1.00 88.26 O +ATOM 240 N VAL C 103 -36.078 94.882 16.421 1.00 60.61 N +ATOM 241 CA VAL C 103 -36.210 93.949 17.538 1.00 49.38 C +ATOM 242 C VAL C 103 -34.948 93.984 18.390 1.00 47.41 C +ATOM 243 O VAL C 103 -33.845 93.792 17.877 1.00 47.75 O +ATOM 244 CB VAL C 103 -36.492 92.513 17.051 1.00 44.33 C +ATOM 245 CG1 VAL C 103 -36.446 91.528 18.208 1.00 38.18 C +ATOM 246 CG2 VAL C 103 -37.833 92.454 16.349 1.00 42.98 C +ATOM 247 N PRO C 104 -35.108 94.237 19.687 1.00 48.13 N +ATOM 248 CA PRO C 104 -33.965 94.378 20.597 1.00 47.53 C +ATOM 249 C PRO C 104 -33.147 93.095 20.751 1.00 45.23 C +ATOM 250 O PRO C 104 -33.728 92.020 20.899 1.00 44.61 O +ATOM 251 CB PRO C 104 -34.623 94.749 21.932 1.00 49.17 C +ATOM 252 CG PRO C 104 -35.975 95.240 21.571 1.00 49.22 C +ATOM 253 CD PRO C 104 -36.394 94.425 20.384 1.00 48.15 C +ATOM 254 N PRO C 105 -31.818 93.217 20.729 1.00 44.58 N +ATOM 255 CA PRO C 105 -30.918 92.066 20.869 1.00 42.34 C +ATOM 256 C PRO C 105 -31.240 91.177 22.068 1.00 39.68 C +ATOM 257 O PRO C 105 -31.204 89.952 21.928 1.00 40.74 O +ATOM 258 CB PRO C 105 -29.554 92.725 21.073 1.00 42.37 C +ATOM 259 CG PRO C 105 -29.663 94.018 20.371 1.00 43.83 C +ATOM 260 CD PRO C 105 -31.072 94.477 20.561 1.00 43.68 C +ATOM 261 N GLU C 106 -31.543 91.785 23.215 1.00 35.13 N +ATOM 262 CA GLU C 106 -31.815 91.046 24.459 1.00 37.22 C +ATOM 263 C GLU C 106 -32.970 90.049 24.296 1.00 28.75 C +ATOM 264 O GLU C 106 -32.943 88.968 24.864 1.00 30.26 O +ATOM 265 CB GLU C 106 -32.102 91.994 25.642 1.00 41.78 C +ATOM 266 CG GLU C 106 -31.350 93.320 25.621 1.00 51.16 C +ATOM 267 CD GLU C 106 -32.008 94.359 24.724 1.00 57.85 C +ATOM 268 OE1 GLU C 106 -33.208 94.670 24.923 1.00 62.58 O +ATOM 269 OE2 GLU C 106 -31.322 94.867 23.811 1.00 60.36 O +ATOM 270 N LEU C 107 -33.976 90.440 23.524 1.00 24.94 N +ATOM 271 CA LEU C 107 -35.114 89.589 23.207 1.00 26.91 C +ATOM 272 C LEU C 107 -34.664 88.417 22.356 1.00 26.94 C +ATOM 273 O LEU C 107 -35.076 87.270 22.561 1.00 23.17 O +ATOM 274 CB LEU C 107 -36.137 90.394 22.422 1.00 25.05 C +ATOM 275 CG LEU C 107 -37.576 90.532 22.917 1.00 32.13 C +ATOM 276 CD1 LEU C 107 -37.637 90.886 24.387 1.00 30.20 C +ATOM 277 CD2 LEU C 107 -38.308 91.576 22.079 1.00 28.98 C +ATOM 278 N LEU C 108 -33.815 88.716 21.388 1.00 26.90 N +ATOM 279 CA LEU C 108 -33.366 87.699 20.459 1.00 25.57 C +ATOM 280 C LEU C 108 -32.490 86.693 21.165 1.00 24.94 C +ATOM 281 O LEU C 108 -32.696 85.499 21.020 1.00 24.13 O +ATOM 282 CB LEU C 108 -32.641 88.342 19.287 1.00 26.12 C +ATOM 283 CG LEU C 108 -33.643 88.990 18.347 1.00 26.11 C +ATOM 284 CD1 LEU C 108 -32.976 90.115 17.565 1.00 28.82 C +ATOM 285 CD2 LEU C 108 -34.225 87.958 17.426 1.00 23.52 C +ATOM 286 N ALA C 109 -31.533 87.183 21.949 1.00 25.58 N +ATOM 287 CA ALA C 109 -30.607 86.311 22.666 1.00 25.30 C +ATOM 288 C ALA C 109 -31.291 85.484 23.740 1.00 24.82 C +ATOM 289 O ALA C 109 -30.880 84.351 23.997 1.00 29.30 O +ATOM 290 CB ALA C 109 -29.441 87.115 23.276 1.00 27.81 C +ATOM 291 N ALA C 110 -32.307 86.046 24.392 1.00 26.31 N +ATOM 292 CA ALA C 110 -33.052 85.281 25.401 1.00 27.80 C +ATOM 293 C ALA C 110 -33.742 84.099 24.710 1.00 24.36 C +ATOM 294 O ALA C 110 -33.800 82.997 25.241 1.00 27.14 O +ATOM 295 CB ALA C 110 -34.076 86.170 26.137 1.00 23.62 C +ATOM 296 N ALA C 111 -34.220 84.345 23.498 1.00 24.22 N +ATOM 297 CA ALA C 111 -34.964 83.354 22.749 1.00 24.96 C +ATOM 298 C ALA C 111 -34.038 82.381 22.025 1.00 23.68 C +ATOM 299 O ALA C 111 -34.505 81.562 21.243 1.00 22.24 O +ATOM 300 CB ALA C 111 -35.922 84.028 21.780 1.00 21.89 C +ATOM 301 N GLY C 112 -32.737 82.469 22.306 1.00 21.98 N +ATOM 302 CA GLY C 112 -31.773 81.500 21.816 1.00 21.55 C +ATOM 303 C GLY C 112 -31.001 81.921 20.582 1.00 24.42 C +ATOM 304 O GLY C 112 -30.141 81.184 20.094 1.00 25.68 O +ATOM 305 N PHE C 113 -31.296 83.109 20.076 1.00 23.42 N +ATOM 306 CA PHE C 113 -30.710 83.529 18.823 1.00 23.67 C +ATOM 307 C PHE C 113 -29.405 84.280 19.041 1.00 25.44 C +ATOM 308 O PHE C 113 -29.239 85.008 20.023 1.00 23.97 O +ATOM 309 CB PHE C 113 -31.705 84.370 18.025 1.00 21.94 C +ATOM 310 CG PHE C 113 -32.969 83.634 17.670 1.00 21.26 C +ATOM 311 CD1 PHE C 113 -32.982 82.696 16.640 1.00 17.25 C +ATOM 312 CD2 PHE C 113 -34.142 83.873 18.372 1.00 20.13 C +ATOM 313 CE1 PHE C 113 -34.148 82.020 16.312 1.00 20.82 C +ATOM 314 CE2 PHE C 113 -35.311 83.200 18.047 1.00 21.24 C +ATOM 315 CZ PHE C 113 -35.310 82.269 17.016 1.00 19.44 C +ATOM 316 N PHE C 114 -28.470 84.061 18.129 1.00 25.62 N +ATOM 317 CA PHE C 114 -27.256 84.853 18.052 1.00 28.14 C +ATOM 318 C PHE C 114 -27.205 85.495 16.665 1.00 28.82 C +ATOM 319 O PHE C 114 -27.804 84.992 15.712 1.00 27.41 O +ATOM 320 CB PHE C 114 -26.019 83.993 18.340 1.00 25.51 C +ATOM 321 CG PHE C 114 -25.750 82.940 17.303 1.00 29.29 C +ATOM 322 CD1 PHE C 114 -25.052 83.255 16.134 1.00 27.14 C +ATOM 323 CD2 PHE C 114 -26.186 81.633 17.492 1.00 25.84 C +ATOM 324 CE1 PHE C 114 -24.804 82.289 15.177 1.00 25.03 C +ATOM 325 CE2 PHE C 114 -25.939 80.662 16.543 1.00 22.80 C +ATOM 326 CZ PHE C 114 -25.257 80.993 15.375 1.00 24.63 C +ATOM 327 N HIS C 115 -26.523 86.625 16.567 1.00 29.79 N +ATOM 328 CA HIS C 115 -26.359 87.327 15.297 1.00 31.07 C +ATOM 329 C HIS C 115 -25.307 86.612 14.469 1.00 28.87 C +ATOM 330 O HIS C 115 -24.255 86.242 14.997 1.00 26.79 O +ATOM 331 CB HIS C 115 -25.891 88.754 15.577 1.00 33.76 C +ATOM 332 CG HIS C 115 -26.016 89.677 14.409 1.00 35.82 C +ATOM 333 ND1 HIS C 115 -25.362 90.890 14.349 1.00 36.84 N +ATOM 334 CD2 HIS C 115 -26.712 89.565 13.254 1.00 32.22 C +ATOM 335 CE1 HIS C 115 -25.656 91.487 13.209 1.00 33.60 C +ATOM 336 NE2 HIS C 115 -26.472 90.704 12.526 1.00 33.13 N +ATOM 337 N THR C 116 -25.572 86.402 13.183 1.00 33.64 N +ATOM 338 CA THR C 116 -24.568 85.744 12.329 1.00 41.13 C +ATOM 339 C THR C 116 -23.472 86.722 11.916 1.00 46.64 C +ATOM 340 O THR C 116 -22.342 86.315 11.634 1.00 48.66 O +ATOM 341 CB THR C 116 -25.188 85.130 11.075 1.00 35.78 C +ATOM 342 OG1 THR C 116 -25.751 86.180 10.274 1.00 40.10 O +ATOM 343 CG2 THR C 116 -26.374 84.233 11.419 1.00 31.27 C +ATOM 344 N GLY C 117 -23.824 88.007 11.886 1.00 51.35 N +ATOM 345 CA GLY C 117 -22.913 89.070 11.495 1.00 53.56 C +ATOM 346 C GLY C 117 -23.440 89.825 10.289 1.00 55.45 C +ATOM 347 O GLY C 117 -23.158 91.010 10.111 1.00 56.48 O +ATOM 348 N HIS C 118 -24.229 89.132 9.472 1.00 58.48 N +ATOM 349 CA HIS C 118 -24.753 89.687 8.225 1.00 59.48 C +ATOM 350 C HIS C 118 -26.173 90.214 8.397 1.00 57.76 C +ATOM 351 O HIS C 118 -27.097 89.450 8.713 1.00 54.24 O +ATOM 352 CB HIS C 118 -24.701 88.636 7.110 1.00 61.80 C +ATOM 353 CG HIS C 118 -23.386 87.924 7.013 1.00 65.06 C +ATOM 354 ND1 HIS C 118 -22.510 88.119 5.967 1.00 66.78 N +ATOM 355 CD2 HIS C 118 -22.797 87.023 7.835 1.00 65.04 C +ATOM 356 CE1 HIS C 118 -21.438 87.367 6.148 1.00 66.72 C +ATOM 357 NE2 HIS C 118 -21.586 86.694 7.275 1.00 65.83 N +ATOM 358 N GLN C 119 -26.332 91.526 8.196 1.00 54.82 N +ATOM 359 CA GLN C 119 -27.629 92.196 8.286 1.00 49.09 C +ATOM 360 C GLN C 119 -28.303 91.852 9.611 1.00 43.40 C +ATOM 361 O GLN C 119 -27.674 91.917 10.662 1.00 37.48 O +ATOM 362 CB GLN C 119 -28.528 91.828 7.094 1.00 52.32 C +ATOM 363 CG GLN C 119 -27.993 92.267 5.737 1.00 58.34 C +ATOM 364 CD GLN C 119 -27.002 91.275 5.134 1.00 61.08 C +ATOM 365 OE1 GLN C 119 -27.094 90.067 5.371 1.00 61.39 O +ATOM 366 NE2 GLN C 119 -26.053 91.786 4.357 1.00 60.00 N +ATOM 367 N ASP C 120 -29.571 91.464 9.565 1.00 42.69 N +ATOM 368 CA ASP C 120 -30.278 91.099 10.787 1.00 40.93 C +ATOM 369 C ASP C 120 -30.526 89.592 10.901 1.00 40.02 C +ATOM 370 O ASP C 120 -31.519 89.145 11.495 1.00 36.47 O +ATOM 371 CB ASP C 120 -31.574 91.900 10.918 1.00 38.07 C +ATOM 372 CG ASP C 120 -32.590 91.566 9.839 1.00 41.56 C +ATOM 373 OD1 ASP C 120 -32.230 90.931 8.815 1.00 40.96 O +ATOM 374 OD2 ASP C 120 -33.789 91.912 9.946 1.00 46.57 O +ATOM 375 N LYS C 121 -29.609 88.815 10.334 1.00 34.62 N +ATOM 376 CA LYS C 121 -29.747 87.368 10.321 1.00 32.13 C +ATOM 377 C LYS C 121 -29.355 86.801 11.658 1.00 29.82 C +ATOM 378 O LYS C 121 -28.305 87.142 12.206 1.00 26.51 O +ATOM 379 CB LYS C 121 -28.905 86.741 9.209 1.00 30.11 C +ATOM 380 CG LYS C 121 -29.438 87.029 7.828 1.00 31.64 C +ATOM 381 CD LYS C 121 -28.495 86.525 6.744 1.00 35.98 C +ATOM 382 CE LYS C 121 -28.704 87.330 5.464 1.00 38.63 C +ATOM 383 NZ LYS C 121 -28.922 86.454 4.291 1.00 42.69 N +ATOM 384 N VAL C 122 -30.217 85.949 12.201 1.00 29.14 N +ATOM 385 CA VAL C 122 -29.897 85.258 13.450 1.00 23.41 C +ATOM 386 C VAL C 122 -30.038 83.761 13.258 1.00 24.33 C +ATOM 387 O VAL C 122 -30.743 83.302 12.363 1.00 26.93 O +ATOM 388 CB VAL C 122 -30.804 85.703 14.639 1.00 24.87 C +ATOM 389 CG1 VAL C 122 -30.599 87.175 14.977 1.00 25.79 C +ATOM 390 CG2 VAL C 122 -32.272 85.407 14.357 1.00 24.62 C +ATOM 391 N ARG C 123 -29.363 83.008 14.111 1.00 22.80 N +ATOM 392 CA ARG C 123 -29.550 81.583 14.178 1.00 21.00 C +ATOM 393 C ARG C 123 -29.700 81.206 15.626 1.00 24.49 C +ATOM 394 O ARG C 123 -29.146 81.860 16.521 1.00 23.12 O +ATOM 395 CB ARG C 123 -28.358 80.860 13.572 1.00 23.90 C +ATOM 396 CG ARG C 123 -28.319 80.956 12.049 1.00 27.09 C +ATOM 397 CD ARG C 123 -27.985 79.665 11.403 1.00 32.35 C +ATOM 398 NE ARG C 123 -27.682 79.793 9.985 1.00 32.72 N +ATOM 399 CZ ARG C 123 -28.412 79.246 9.034 1.00 33.51 C +ATOM 400 NH1 ARG C 123 -29.502 78.538 9.353 1.00 29.33 N +ATOM 401 NH2 ARG C 123 -28.058 79.405 7.762 1.00 29.53 N +ATOM 402 N CYS C 124 -30.460 80.149 15.857 1.00 20.18 N +ATOM 403 CA CYS C 124 -30.595 79.607 17.186 1.00 18.91 C +ATOM 404 C CYS C 124 -29.369 78.761 17.492 1.00 22.19 C +ATOM 405 O CYS C 124 -28.956 77.953 16.672 1.00 23.05 O +ATOM 406 CB CYS C 124 -31.857 78.762 17.262 1.00 16.79 C +ATOM 407 SG CYS C 124 -32.036 77.930 18.843 1.00 19.29 S +ATOM 408 N PHE C 125 -28.799 78.928 18.682 1.00 20.02 N +ATOM 409 CA PHE C 125 -27.620 78.168 19.050 1.00 20.43 C +ATOM 410 C PHE C 125 -27.939 76.690 19.085 1.00 22.04 C +ATOM 411 O PHE C 125 -27.046 75.852 18.924 1.00 22.99 O +ATOM 412 CB PHE C 125 -27.099 78.607 20.419 1.00 18.87 C +ATOM 413 CG PHE C 125 -27.793 77.935 21.577 1.00 20.24 C +ATOM 414 CD1 PHE C 125 -28.966 78.462 22.096 1.00 17.58 C +ATOM 415 CD2 PHE C 125 -27.270 76.778 22.141 1.00 19.99 C +ATOM 416 CE1 PHE C 125 -29.606 77.858 23.171 1.00 21.11 C +ATOM 417 CE2 PHE C 125 -27.902 76.163 23.208 1.00 20.18 C +ATOM 418 CZ PHE C 125 -29.082 76.698 23.724 1.00 20.01 C +ATOM 419 N PHE C 126 -29.202 76.361 19.341 1.00 19.43 N +ATOM 420 CA PHE C 126 -29.546 74.950 19.503 1.00 20.78 C +ATOM 421 C PHE C 126 -29.970 74.244 18.214 1.00 19.55 C +ATOM 422 O PHE C 126 -29.328 73.277 17.799 1.00 21.09 O +ATOM 423 CB PHE C 126 -30.587 74.708 20.600 1.00 19.80 C +ATOM 424 CG PHE C 126 -30.672 73.276 20.987 1.00 22.43 C +ATOM 425 CD1 PHE C 126 -31.371 72.372 20.193 1.00 21.05 C +ATOM 426 CD2 PHE C 126 -29.964 72.800 22.088 1.00 21.69 C +ATOM 427 CE1 PHE C 126 -31.389 71.025 20.515 1.00 22.36 C +ATOM 428 CE2 PHE C 126 -29.990 71.460 22.425 1.00 21.26 C +ATOM 429 CZ PHE C 126 -30.703 70.565 21.638 1.00 22.94 C +ATOM 430 N CYS C 127 -31.066 74.708 17.624 1.00 17.73 N +ATOM 431 CA CYS C 127 -31.631 74.092 16.430 1.00 18.87 C +ATOM 432 C CYS C 127 -31.037 74.700 15.164 1.00 20.60 C +ATOM 433 O CYS C 127 -31.256 74.186 14.087 1.00 22.24 O +ATOM 434 CB CYS C 127 -33.149 74.240 16.426 1.00 17.00 C +ATOM 435 SG CYS C 127 -33.716 75.931 16.138 1.00 19.46 S +ATOM 436 N TYR C 128 -30.285 75.796 15.312 1.00 21.07 N +ATOM 437 CA TYR C 128 -29.636 76.471 14.181 1.00 23.26 C +ATOM 438 C TYR C 128 -30.635 77.100 13.212 1.00 25.24 C +ATOM 439 O TYR C 128 -30.273 77.473 12.088 1.00 20.56 O +ATOM 440 CB TYR C 128 -28.662 75.526 13.443 1.00 22.28 C +ATOM 441 CG TYR C 128 -27.477 76.228 12.833 1.00 26.71 C +ATOM 442 CD1 TYR C 128 -26.556 76.902 13.630 1.00 26.41 C +ATOM 443 CD2 TYR C 128 -27.281 76.234 11.450 1.00 29.30 C +ATOM 444 CE1 TYR C 128 -25.479 77.558 13.072 1.00 29.55 C +ATOM 445 CE2 TYR C 128 -26.195 76.880 10.881 1.00 26.63 C +ATOM 446 CZ TYR C 128 -25.294 77.538 11.702 1.00 31.59 C +ATOM 447 OH TYR C 128 -24.211 78.190 11.156 1.00 35.57 O +ATOM 448 N GLY C 129 -31.890 77.214 13.655 1.00 20.05 N +ATOM 449 CA GLY C 129 -32.915 77.881 12.879 1.00 17.02 C +ATOM 450 C GLY C 129 -32.514 79.311 12.570 1.00 21.59 C +ATOM 451 O GLY C 129 -32.091 80.037 13.452 1.00 20.01 O +ATOM 452 N GLY C 130 -32.634 79.708 11.308 1.00 23.85 N +ATOM 453 CA GLY C 130 -32.194 81.023 10.889 1.00 20.26 C +ATOM 454 C GLY C 130 -33.346 81.923 10.518 1.00 22.60 C +ATOM 455 O GLY C 130 -34.247 81.538 9.766 1.00 22.97 O +ATOM 456 N LEU C 131 -33.315 83.134 11.055 1.00 20.18 N +ATOM 457 CA LEU C 131 -34.364 84.096 10.790 1.00 21.37 C +ATOM 458 C LEU C 131 -33.767 85.453 10.525 1.00 21.58 C +ATOM 459 O LEU C 131 -32.697 85.796 11.033 1.00 23.34 O +ATOM 460 CB LEU C 131 -35.310 84.184 11.984 1.00 25.28 C +ATOM 461 CG LEU C 131 -36.154 82.935 12.272 1.00 25.94 C +ATOM 462 CD1 LEU C 131 -36.847 83.076 13.622 1.00 19.84 C +ATOM 463 CD2 LEU C 131 -37.157 82.694 11.133 1.00 26.31 C +ATOM 464 N GLN C 132 -34.474 86.226 9.726 1.00 27.27 N +ATOM 465 CA GLN C 132 -34.049 87.581 9.393 1.00 30.37 C +ATOM 466 C GLN C 132 -35.289 88.389 9.114 1.00 29.78 C +ATOM 467 O GLN C 132 -36.398 87.863 9.231 1.00 29.69 O +ATOM 468 CB GLN C 132 -33.127 87.565 8.164 1.00 26.11 C +ATOM 469 CG GLN C 132 -33.810 87.155 6.892 1.00 27.70 C +ATOM 470 CD GLN C 132 -32.826 86.807 5.794 1.00 34.25 C +ATOM 471 OE1 GLN C 132 -32.043 85.856 5.918 1.00 35.76 O +ATOM 472 NE2 GLN C 132 -32.859 87.575 4.723 1.00 33.64 N +ATOM 473 N SER C 133 -35.097 89.650 8.713 1.00 34.42 N +ATOM 474 CA SER C 133 -36.189 90.575 8.392 1.00 34.49 C +ATOM 475 C SER C 133 -37.085 90.782 9.598 1.00 34.64 C +ATOM 476 O SER C 133 -38.311 90.767 9.484 1.00 37.65 O +ATOM 477 CB SER C 133 -37.018 90.106 7.188 1.00 34.51 C +ATOM 478 OG SER C 133 -36.199 89.588 6.158 1.00 44.51 O +ATOM 479 N TRP C 134 -36.449 90.958 10.748 1.00 36.56 N +ATOM 480 CA TRP C 134 -37.137 91.231 11.997 1.00 40.83 C +ATOM 481 C TRP C 134 -37.796 92.610 11.908 1.00 48.91 C +ATOM 482 O TRP C 134 -37.189 93.577 11.429 1.00 49.10 O +ATOM 483 CB TRP C 134 -36.148 91.166 13.164 1.00 36.26 C +ATOM 484 CG TRP C 134 -35.602 89.782 13.366 1.00 35.45 C +ATOM 485 CD1 TRP C 134 -34.461 89.256 12.817 1.00 35.30 C +ATOM 486 CD2 TRP C 134 -36.190 88.734 14.139 1.00 33.47 C +ATOM 487 NE1 TRP C 134 -34.304 87.948 13.207 1.00 33.61 N +ATOM 488 CE2 TRP C 134 -35.353 87.598 14.017 1.00 33.23 C +ATOM 489 CE3 TRP C 134 -37.350 88.630 14.920 1.00 29.74 C +ATOM 490 CZ2 TRP C 134 -35.634 86.388 14.657 1.00 27.55 C +ATOM 491 CZ3 TRP C 134 -37.618 87.423 15.563 1.00 27.44 C +ATOM 492 CH2 TRP C 134 -36.771 86.320 15.417 1.00 26.82 C +ATOM 493 N LYS C 135 -39.050 92.675 12.333 1.00 51.29 N +ATOM 494 CA LYS C 135 -39.796 93.923 12.353 1.00 53.89 C +ATOM 495 C LYS C 135 -40.286 94.201 13.764 1.00 53.80 C +ATOM 496 O LYS C 135 -40.414 93.276 14.575 1.00 49.28 O +ATOM 497 CB LYS C 135 -40.980 93.852 11.388 1.00 57.57 C +ATOM 498 CG LYS C 135 -40.620 94.128 9.933 1.00 61.85 C +ATOM 499 CD LYS C 135 -41.348 93.171 9.002 1.00 64.48 C +ATOM 500 CE LYS C 135 -41.035 93.469 7.545 1.00 66.91 C +ATOM 501 NZ LYS C 135 -40.224 92.380 6.931 1.00 67.90 N +ATOM 502 N ARG C 136 -40.549 95.477 14.050 1.00 54.43 N +ATOM 503 CA ARG C 136 -41.168 95.903 15.305 1.00 54.20 C +ATOM 504 C ARG C 136 -42.381 95.021 15.583 1.00 44.87 C +ATOM 505 O ARG C 136 -43.190 94.763 14.688 1.00 41.57 O +ATOM 506 CB ARG C 136 -41.589 97.379 15.227 1.00 60.43 C +ATOM 507 CG ARG C 136 -41.326 98.197 16.495 1.00 65.86 C +ATOM 508 CD ARG C 136 -41.347 99.715 16.268 1.00 71.83 C +ATOM 509 NE ARG C 136 -42.094 100.459 17.291 1.00 75.81 N +ATOM 510 CZ ARG C 136 -43.426 100.588 17.334 1.00 78.16 C +ATOM 511 NH1 ARG C 136 -44.203 100.012 16.419 1.00 77.13 N +ATOM 512 NH2 ARG C 136 -43.988 101.297 18.307 1.00 78.56 N +ATOM 513 N GLY C 137 -42.475 94.524 16.810 1.00 41.89 N +ATOM 514 CA GLY C 137 -43.595 93.686 17.197 1.00 42.05 C +ATOM 515 C GLY C 137 -43.380 92.191 17.041 1.00 40.46 C +ATOM 516 O GLY C 137 -44.225 91.400 17.463 1.00 45.61 O +ATOM 517 N ASP C 138 -42.271 91.800 16.424 1.00 36.12 N +ATOM 518 CA ASP C 138 -41.912 90.389 16.328 1.00 34.16 C +ATOM 519 C ASP C 138 -41.528 89.870 17.697 1.00 31.35 C +ATOM 520 O ASP C 138 -40.749 90.497 18.425 1.00 27.75 O +ATOM 521 CB ASP C 138 -40.741 90.177 15.376 1.00 35.85 C +ATOM 522 CG ASP C 138 -41.163 90.177 13.928 1.00 38.19 C +ATOM 523 OD1 ASP C 138 -42.383 90.182 13.654 1.00 37.31 O +ATOM 524 OD2 ASP C 138 -40.337 90.176 12.992 1.00 40.40 O +ATOM 525 N ASP C 139 -42.092 88.726 18.058 1.00 27.38 N +ATOM 526 CA ASP C 139 -41.690 88.084 19.293 1.00 24.70 C +ATOM 527 C ASP C 139 -40.779 86.906 18.965 1.00 24.86 C +ATOM 528 O ASP C 139 -41.227 85.910 18.410 1.00 26.36 O +ATOM 529 CB ASP C 139 -42.905 87.655 20.124 1.00 22.82 C +ATOM 530 CG ASP C 139 -42.508 87.139 21.494 1.00 20.40 C +ATOM 531 OD1 ASP C 139 -41.429 86.554 21.699 1.00 25.92 O +ATOM 532 OD2 ASP C 139 -43.271 87.314 22.468 1.00 26.51 O +ATOM 533 N PRO C 140 -39.493 87.032 19.283 1.00 26.24 N +ATOM 534 CA PRO C 140 -38.518 85.978 18.978 1.00 23.56 C +ATOM 535 C PRO C 140 -38.874 84.595 19.535 1.00 23.92 C +ATOM 536 O PRO C 140 -38.540 83.608 18.885 1.00 25.76 O +ATOM 537 CB PRO C 140 -37.214 86.527 19.581 1.00 22.89 C +ATOM 538 CG PRO C 140 -37.410 88.008 19.511 1.00 22.62 C +ATOM 539 CD PRO C 140 -38.849 88.202 19.907 1.00 23.58 C +ATOM 540 N TRP C 141 -39.538 84.510 20.685 1.00 22.28 N +ATOM 541 CA TRP C 141 -39.990 83.206 21.192 1.00 19.78 C +ATOM 542 C TRP C 141 -41.081 82.633 20.302 1.00 17.58 C +ATOM 543 O TRP C 141 -41.073 81.454 19.970 1.00 19.75 O +ATOM 544 CB TRP C 141 -40.546 83.334 22.612 1.00 17.97 C +ATOM 545 CG TRP C 141 -39.509 83.471 23.634 1.00 18.48 C +ATOM 546 CD1 TRP C 141 -39.301 84.546 24.447 1.00 18.71 C +ATOM 547 CD2 TRP C 141 -38.527 82.500 23.994 1.00 19.09 C +ATOM 548 NE1 TRP C 141 -38.248 84.300 25.290 1.00 19.08 N +ATOM 549 CE2 TRP C 141 -37.754 83.050 25.030 1.00 18.85 C +ATOM 550 CE3 TRP C 141 -38.210 81.217 23.535 1.00 19.28 C +ATOM 551 CZ2 TRP C 141 -36.702 82.360 25.627 1.00 23.80 C +ATOM 552 CZ3 TRP C 141 -37.160 80.543 24.125 1.00 18.38 C +ATOM 553 CH2 TRP C 141 -36.425 81.112 25.161 1.00 18.95 C +ATOM 554 N THR C 142 -42.021 83.486 19.928 1.00 17.18 N +ATOM 555 CA THR C 142 -43.128 83.100 19.064 1.00 19.86 C +ATOM 556 C THR C 142 -42.615 82.711 17.696 1.00 21.26 C +ATOM 557 O THR C 142 -43.044 81.703 17.127 1.00 20.21 O +ATOM 558 CB THR C 142 -44.081 84.264 18.950 1.00 18.95 C +ATOM 559 OG1 THR C 142 -44.557 84.584 20.262 1.00 19.42 O +ATOM 560 CG2 THR C 142 -45.336 83.886 18.171 1.00 20.08 C +ATOM 561 N GLU C 143 -41.676 83.501 17.183 1.00 19.92 N +ATOM 562 CA GLU C 143 -41.074 83.234 15.883 1.00 21.86 C +ATOM 563 C GLU C 143 -40.315 81.907 15.948 1.00 19.74 C +ATOM 564 O GLU C 143 -40.399 81.088 15.041 1.00 21.50 O +ATOM 565 CB GLU C 143 -40.140 84.375 15.479 1.00 22.99 C +ATOM 566 CG GLU C 143 -40.848 85.665 15.101 1.00 22.96 C +ATOM 567 CD GLU C 143 -41.956 85.456 14.078 1.00 29.25 C +ATOM 568 OE1 GLU C 143 -41.675 84.931 12.987 1.00 30.17 O +ATOM 569 OE2 GLU C 143 -43.117 85.813 14.358 1.00 32.99 O +ATOM 570 N HIS C 144 -39.603 81.700 17.049 1.00 17.95 N +ATOM 571 CA HIS C 144 -38.882 80.463 17.289 1.00 16.57 C +ATOM 572 C HIS C 144 -39.843 79.266 17.231 1.00 19.53 C +ATOM 573 O HIS C 144 -39.561 78.260 16.582 1.00 21.93 O +ATOM 574 CB HIS C 144 -38.166 80.545 18.646 1.00 15.14 C +ATOM 575 CG HIS C 144 -36.929 79.707 18.731 1.00 17.27 C +ATOM 576 ND1 HIS C 144 -35.863 80.045 19.533 1.00 15.81 N +ATOM 577 CD2 HIS C 144 -36.597 78.534 18.136 1.00 16.01 C +ATOM 578 CE1 HIS C 144 -34.917 79.134 19.412 1.00 18.72 C +ATOM 579 NE2 HIS C 144 -35.337 78.205 18.571 1.00 17.12 N +ATOM 580 N ALA C 145 -41.004 79.400 17.861 1.00 17.46 N +ATOM 581 CA ALA C 145 -41.995 78.317 17.874 1.00 18.76 C +ATOM 582 C ALA C 145 -42.685 78.127 16.537 1.00 18.08 C +ATOM 583 O ALA C 145 -43.081 77.020 16.183 1.00 17.71 O +ATOM 584 CB ALA C 145 -43.025 78.556 18.974 1.00 13.53 C +ATOM 585 N LYS C 146 -42.833 79.218 15.800 1.00 15.58 N +ATOM 586 CA LYS C 146 -43.493 79.186 14.515 1.00 19.06 C +ATOM 587 C LYS C 146 -42.674 78.393 13.506 1.00 19.86 C +ATOM 588 O LYS C 146 -43.220 77.601 12.728 1.00 21.79 O +ATOM 589 CB LYS C 146 -43.726 80.620 14.036 1.00 27.57 C +ATOM 590 CG LYS C 146 -44.405 80.758 12.690 1.00 36.70 C +ATOM 591 CD LYS C 146 -44.630 82.234 12.327 1.00 41.41 C +ATOM 592 CE LYS C 146 -44.803 82.381 10.808 1.00 49.92 C +ATOM 593 NZ LYS C 146 -45.142 83.765 10.352 1.00 52.92 N +ATOM 594 N TRP C 147 -41.364 78.590 13.535 1.00 18.43 N +ATOM 595 CA TRP C 147 -40.496 78.058 12.485 1.00 18.68 C +ATOM 596 C TRP C 147 -39.735 76.824 12.880 1.00 15.21 C +ATOM 597 O TRP C 147 -39.396 76.007 12.026 1.00 18.27 O +ATOM 598 CB TRP C 147 -39.500 79.121 12.038 1.00 16.67 C +ATOM 599 CG TRP C 147 -40.178 80.306 11.427 1.00 22.44 C +ATOM 600 CD1 TRP C 147 -40.289 81.556 11.962 1.00 18.10 C +ATOM 601 CD2 TRP C 147 -40.851 80.345 10.169 1.00 23.57 C +ATOM 602 NE1 TRP C 147 -40.993 82.370 11.113 1.00 22.33 N +ATOM 603 CE2 TRP C 147 -41.343 81.652 9.998 1.00 22.80 C +ATOM 604 CE3 TRP C 147 -41.084 79.401 9.157 1.00 23.28 C +ATOM 605 CZ2 TRP C 147 -42.047 82.046 8.856 1.00 26.10 C +ATOM 606 CZ3 TRP C 147 -41.788 79.789 8.019 1.00 25.98 C +ATOM 607 CH2 TRP C 147 -42.264 81.103 7.880 1.00 24.97 C +ATOM 608 N PHE C 148 -39.451 76.694 14.173 1.00 14.30 N +ATOM 609 CA PHE C 148 -38.621 75.601 14.659 1.00 16.30 C +ATOM 610 C PHE C 148 -39.258 74.908 15.864 1.00 18.12 C +ATOM 611 O PHE C 148 -38.682 74.880 16.937 1.00 13.81 O +ATOM 612 CB PHE C 148 -37.213 76.130 14.956 1.00 17.53 C +ATOM 613 CG PHE C 148 -36.733 77.125 13.936 1.00 16.10 C +ATOM 614 CD1 PHE C 148 -36.492 76.730 12.617 1.00 17.77 C +ATOM 615 CD2 PHE C 148 -36.545 78.453 14.281 1.00 19.27 C +ATOM 616 CE1 PHE C 148 -36.080 77.661 11.656 1.00 14.69 C +ATOM 617 CE2 PHE C 148 -36.104 79.384 13.340 1.00 17.35 C +ATOM 618 CZ PHE C 148 -35.893 78.988 12.019 1.00 18.45 C +ATOM 619 N PRO C 149 -40.452 74.352 15.663 1.00 16.49 N +ATOM 620 CA PRO C 149 -41.259 73.813 16.759 1.00 19.19 C +ATOM 621 C PRO C 149 -40.579 72.709 17.554 1.00 20.25 C +ATOM 622 O PRO C 149 -40.888 72.529 18.733 1.00 18.30 O +ATOM 623 CB PRO C 149 -42.522 73.275 16.052 1.00 14.40 C +ATOM 624 CG PRO C 149 -42.158 73.160 14.591 1.00 13.10 C +ATOM 625 CD PRO C 149 -41.137 74.227 14.361 1.00 18.83 C +ATOM 626 N SER C 150 -39.639 72.002 16.945 1.00 18.63 N +ATOM 627 CA SER C 150 -39.031 70.890 17.648 1.00 22.03 C +ATOM 628 C SER C 150 -37.693 71.259 18.298 1.00 18.79 C +ATOM 629 O SER C 150 -37.005 70.420 18.850 1.00 20.51 O +ATOM 630 CB SER C 150 -38.947 69.667 16.727 1.00 21.04 C +ATOM 631 OG SER C 150 -37.815 69.753 15.897 1.00 36.55 O +ATOM 632 N CYS C 151 -37.337 72.535 18.244 1.00 17.10 N +ATOM 633 CA CYS C 151 -36.122 72.996 18.886 1.00 18.43 C +ATOM 634 C CYS C 151 -36.196 72.683 20.377 1.00 20.28 C +ATOM 635 O CYS C 151 -37.124 73.132 21.064 1.00 15.86 O +ATOM 636 CB CYS C 151 -35.963 74.504 18.725 1.00 15.27 C +ATOM 637 SG CYS C 151 -34.537 75.055 19.683 1.00 17.67 S +ATOM 638 N GLN C 152 -35.228 71.930 20.880 1.00 18.08 N +ATOM 639 CA GLN C 152 -35.305 71.464 22.261 1.00 22.21 C +ATOM 640 C GLN C 152 -34.983 72.554 23.273 1.00 23.62 C +ATOM 641 O GLN C 152 -35.394 72.473 24.430 1.00 21.32 O +ATOM 642 CB GLN C 152 -34.386 70.276 22.496 1.00 24.63 C +ATOM 643 CG GLN C 152 -34.932 68.952 22.025 1.00 31.04 C +ATOM 644 CD GLN C 152 -33.805 67.988 21.731 1.00 38.08 C +ATOM 645 OE1 GLN C 152 -33.440 67.176 22.581 1.00 37.92 O +ATOM 646 NE2 GLN C 152 -33.222 68.101 20.538 1.00 40.44 N +ATOM 647 N PHE C 153 -34.235 73.563 22.845 1.00 21.83 N +ATOM 648 CA PHE C 153 -34.013 74.716 23.695 1.00 22.17 C +ATOM 649 C PHE C 153 -35.324 75.463 23.860 1.00 22.33 C +ATOM 650 O PHE C 153 -35.701 75.837 24.967 1.00 23.34 O +ATOM 651 CB PHE C 153 -32.989 75.671 23.096 1.00 18.72 C +ATOM 652 CG PHE C 153 -32.963 77.011 23.780 1.00 20.59 C +ATOM 653 CD1 PHE C 153 -32.382 77.149 25.047 1.00 21.70 C +ATOM 654 CD2 PHE C 153 -33.561 78.116 23.193 1.00 19.57 C +ATOM 655 CE1 PHE C 153 -32.358 78.380 25.693 1.00 17.70 C +ATOM 656 CE2 PHE C 153 -33.541 79.352 23.832 1.00 19.41 C +ATOM 657 CZ PHE C 153 -32.934 79.478 25.086 1.00 18.50 C +ATOM 658 N LEU C 154 -35.995 75.692 22.735 1.00 18.88 N +ATOM 659 CA LEU C 154 -37.285 76.344 22.723 1.00 18.14 C +ATOM 660 C LEU C 154 -38.256 75.561 23.597 1.00 18.32 C +ATOM 661 O LEU C 154 -38.924 76.143 24.434 1.00 14.92 O +ATOM 662 CB LEU C 154 -37.829 76.460 21.284 1.00 17.66 C +ATOM 663 CG LEU C 154 -39.321 76.773 21.127 1.00 19.53 C +ATOM 664 CD1 LEU C 154 -39.650 78.172 21.696 1.00 14.06 C +ATOM 665 CD2 LEU C 154 -39.733 76.670 19.670 1.00 17.99 C +ATOM 666 N LEU C 155 -38.332 74.246 23.396 1.00 16.08 N +ATOM 667 CA LEU C 155 -39.280 73.418 24.143 1.00 17.39 C +ATOM 668 C LEU C 155 -38.977 73.362 25.642 1.00 16.91 C +ATOM 669 O LEU C 155 -39.883 73.434 26.460 1.00 18.32 O +ATOM 670 CB LEU C 155 -39.345 72.002 23.555 1.00 16.41 C +ATOM 671 CG LEU C 155 -40.049 71.918 22.191 1.00 21.57 C +ATOM 672 CD1 LEU C 155 -39.762 70.577 21.535 1.00 15.77 C +ATOM 673 CD2 LEU C 155 -41.566 72.122 22.345 1.00 18.12 C +ATOM 674 N ARG C 156 -37.701 73.263 25.991 1.00 20.34 N +ATOM 675 CA ARG C 156 -37.286 73.241 27.388 1.00 24.90 C +ATOM 676 C ARG C 156 -37.690 74.539 28.074 1.00 20.87 C +ATOM 677 O ARG C 156 -38.205 74.522 29.187 1.00 21.07 O +ATOM 678 CB ARG C 156 -35.777 73.040 27.502 1.00 31.29 C +ATOM 679 CG ARG C 156 -35.361 71.593 27.684 1.00 49.56 C +ATOM 680 CD ARG C 156 -34.892 71.258 29.098 1.00 62.05 C +ATOM 681 NE ARG C 156 -33.442 71.067 29.180 1.00 70.93 N +ATOM 682 CZ ARG C 156 -32.557 72.028 29.454 1.00 76.58 C +ATOM 683 NH1 ARG C 156 -32.953 73.281 29.674 1.00 75.58 N +ATOM 684 NH2 ARG C 156 -31.262 71.731 29.508 1.00 78.20 N +ATOM 685 N SER C 157 -37.469 75.656 27.385 1.00 18.71 N +ATOM 686 CA SER C 157 -37.753 76.977 27.918 1.00 19.03 C +ATOM 687 C SER C 157 -39.240 77.226 28.012 1.00 20.94 C +ATOM 688 O SER C 157 -39.746 77.627 29.065 1.00 18.80 O +ATOM 689 CB SER C 157 -37.134 78.064 27.030 1.00 18.12 C +ATOM 690 OG SER C 157 -35.732 77.936 26.953 1.00 22.71 O +ATOM 691 N LYS C 158 -39.943 76.982 26.906 1.00 18.99 N +ATOM 692 CA LYS C 158 -41.300 77.488 26.763 1.00 17.46 C +ATOM 693 C LYS C 158 -42.380 76.427 26.825 1.00 16.65 C +ATOM 694 O LYS C 158 -43.564 76.740 27.031 1.00 16.56 O +ATOM 695 CB LYS C 158 -41.408 78.307 25.478 1.00 20.49 C +ATOM 696 CG LYS C 158 -40.589 79.615 25.526 1.00 21.22 C +ATOM 697 CD LYS C 158 -40.856 80.393 26.830 1.00 18.72 C +ATOM 698 CE LYS C 158 -40.135 81.740 26.865 1.00 22.12 C +ATOM 699 NZ LYS C 158 -40.102 82.316 28.266 1.00 22.74 N +ATOM 700 N GLY C 159 -41.977 75.176 26.627 1.00 18.11 N +ATOM 701 CA GLY C 159 -42.902 74.065 26.739 1.00 19.42 C +ATOM 702 C GLY C 159 -43.613 73.737 25.441 1.00 22.78 C +ATOM 703 O GLY C 159 -43.640 74.537 24.502 1.00 18.00 O +ATOM 704 N ARG C 160 -44.196 72.543 25.429 1.00 20.44 N +ATOM 705 CA ARG C 160 -44.900 71.960 24.301 1.00 25.45 C +ATOM 706 C ARG C 160 -46.189 72.709 23.982 1.00 21.58 C +ATOM 707 O ARG C 160 -46.503 72.950 22.808 1.00 21.77 O +ATOM 708 CB ARG C 160 -45.245 70.518 24.681 1.00 33.16 C +ATOM 709 CG ARG C 160 -45.595 69.566 23.569 1.00 44.28 C +ATOM 710 CD ARG C 160 -45.073 68.145 23.832 1.00 52.99 C +ATOM 711 NE ARG C 160 -43.616 68.160 23.975 1.00 58.64 N +ATOM 712 CZ ARG C 160 -42.820 67.097 23.885 1.00 64.12 C +ATOM 713 NH1 ARG C 160 -43.321 65.879 23.663 1.00 62.73 N +ATOM 714 NH2 ARG C 160 -41.507 67.258 24.030 1.00 65.75 N +ATOM 715 N ASP C 161 -46.953 73.050 25.022 1.00 17.46 N +ATOM 716 CA ASP C 161 -48.243 73.696 24.837 1.00 20.07 C +ATOM 717 C ASP C 161 -48.074 75.020 24.125 1.00 20.03 C +ATOM 718 O ASP C 161 -48.865 75.364 23.257 1.00 24.78 O +ATOM 719 CB ASP C 161 -48.945 73.959 26.168 1.00 25.95 C +ATOM 720 CG ASP C 161 -49.318 72.684 26.911 1.00 33.94 C +ATOM 721 OD1 ASP C 161 -49.101 71.556 26.401 1.00 34.20 O +ATOM 722 OD2 ASP C 161 -49.836 72.729 28.044 1.00 37.57 O +ATOM 723 N PHE C 162 -47.064 75.783 24.522 1.00 17.84 N +ATOM 724 CA PHE C 162 -46.831 77.066 23.896 1.00 16.91 C +ATOM 725 C PHE C 162 -46.484 76.882 22.417 1.00 18.62 C +ATOM 726 O PHE C 162 -46.987 77.613 21.562 1.00 17.49 O +ATOM 727 CB PHE C 162 -45.719 77.838 24.615 1.00 21.54 C +ATOM 728 CG PHE C 162 -45.220 79.010 23.846 1.00 24.99 C +ATOM 729 CD1 PHE C 162 -45.939 80.200 23.832 1.00 25.11 C +ATOM 730 CD2 PHE C 162 -44.058 78.913 23.091 1.00 20.53 C +ATOM 731 CE1 PHE C 162 -45.492 81.288 23.102 1.00 26.01 C +ATOM 732 CE2 PHE C 162 -43.608 79.995 22.361 1.00 24.10 C +ATOM 733 CZ PHE C 162 -44.326 81.185 22.367 1.00 23.29 C +ATOM 734 N VAL C 163 -45.619 75.914 22.122 1.00 18.49 N +ATOM 735 CA VAL C 163 -45.216 75.661 20.741 1.00 21.11 C +ATOM 736 C VAL C 163 -46.412 75.190 19.910 1.00 26.91 C +ATOM 737 O VAL C 163 -46.634 75.660 18.781 1.00 23.79 O +ATOM 738 CB VAL C 163 -44.064 74.641 20.661 1.00 18.50 C +ATOM 739 CG1 VAL C 163 -43.785 74.306 19.225 1.00 16.39 C +ATOM 740 CG2 VAL C 163 -42.805 75.238 21.283 1.00 17.33 C +ATOM 741 N HIS C 164 -47.182 74.267 20.484 1.00 23.78 N +ATOM 742 CA HIS C 164 -48.392 73.778 19.849 1.00 26.86 C +ATOM 743 C HIS C 164 -49.374 74.917 19.595 1.00 29.37 C +ATOM 744 O HIS C 164 -49.911 75.031 18.500 1.00 28.95 O +ATOM 745 CB HIS C 164 -49.025 72.686 20.706 1.00 32.86 C +ATOM 746 CG HIS C 164 -50.278 72.127 20.127 1.00 40.45 C +ATOM 747 ND1 HIS C 164 -51.530 72.507 20.563 1.00 44.60 N +ATOM 748 CD2 HIS C 164 -50.478 71.230 19.135 1.00 42.30 C +ATOM 749 CE1 HIS C 164 -52.448 71.860 19.867 1.00 46.51 C +ATOM 750 NE2 HIS C 164 -51.836 71.076 18.998 1.00 44.71 N +ATOM 751 N SER C 165 -49.586 75.781 20.589 1.00 25.90 N +ATOM 752 CA SER C 165 -50.469 76.929 20.398 1.00 27.83 C +ATOM 753 C SER C 165 -50.000 77.809 19.220 1.00 31.71 C +ATOM 754 O SER C 165 -50.793 78.166 18.341 1.00 30.79 O +ATOM 755 CB SER C 165 -50.567 77.740 21.679 1.00 28.10 C +ATOM 756 OG SER C 165 -51.220 78.960 21.440 1.00 40.36 O +ATOM 757 N VAL C 166 -48.710 78.143 19.205 1.00 27.49 N +ATOM 758 CA VAL C 166 -48.148 78.960 18.143 1.00 27.15 C +ATOM 759 C VAL C 166 -48.263 78.251 16.790 1.00 27.84 C +ATOM 760 O VAL C 166 -48.638 78.876 15.793 1.00 30.65 O +ATOM 761 CB VAL C 166 -46.684 79.343 18.428 1.00 25.58 C +ATOM 762 CG1 VAL C 166 -46.008 79.929 17.171 1.00 21.84 C +ATOM 763 CG2 VAL C 166 -46.614 80.328 19.587 1.00 21.21 C +ATOM 764 N GLN C 167 -47.969 76.954 16.767 1.00 26.87 N +ATOM 765 CA GLN C 167 -48.050 76.174 15.536 1.00 31.03 C +ATOM 766 C GLN C 167 -49.466 76.206 14.962 1.00 37.33 C +ATOM 767 O GLN C 167 -49.645 76.309 13.747 1.00 35.55 O +ATOM 768 CB GLN C 167 -47.580 74.726 15.739 1.00 26.43 C +ATOM 769 CG GLN C 167 -46.052 74.517 15.689 1.00 29.51 C +ATOM 770 CD GLN C 167 -45.429 74.785 14.310 1.00 33.33 C +ATOM 771 OE1 GLN C 167 -45.732 74.087 13.344 1.00 35.25 O +ATOM 772 NE2 GLN C 167 -44.553 75.792 14.227 1.00 25.99 N +ATOM 773 N GLU C 168 -50.471 76.149 15.830 1.00 39.92 N +ATOM 774 CA GLU C 168 -51.846 76.080 15.350 1.00 46.86 C +ATOM 775 C GLU C 168 -52.404 77.427 14.848 1.00 50.68 C +ATOM 776 O GLU C 168 -53.163 77.457 13.879 1.00 51.03 O +ATOM 777 CB GLU C 168 -52.757 75.378 16.374 1.00 52.63 C +ATOM 778 CG GLU C 168 -53.537 76.280 17.322 1.00 61.15 C +ATOM 779 CD GLU C 168 -54.167 75.512 18.476 1.00 67.99 C +ATOM 780 OE1 GLU C 168 -54.793 74.452 18.222 1.00 69.25 O +ATOM 781 OE2 GLU C 168 -54.036 75.968 19.639 1.00 69.12 O +ATOM 782 N THR C 169 -52.011 78.531 15.481 1.00 53.04 N +ATOM 783 CA THR C 169 -52.540 79.844 15.113 1.00 57.95 C +ATOM 784 C THR C 169 -51.688 80.558 14.063 1.00 63.30 C +ATOM 785 O THR C 169 -52.056 81.635 13.594 1.00 64.44 O +ATOM 786 CB THR C 169 -52.765 80.758 16.358 1.00 59.04 C +ATOM 787 OG1 THR C 169 -51.520 81.023 17.014 1.00 57.35 O +ATOM 788 CG2 THR C 169 -53.603 80.055 17.433 1.00 60.88 C +ATOM 789 N HIS C 170 -50.555 79.956 13.704 1.00 68.82 N +ATOM 790 CA HIS C 170 -49.676 80.484 12.659 1.00 74.57 C +ATOM 791 C HIS C 170 -49.373 79.392 11.633 1.00 79.56 C +ATOM 792 O HIS C 170 -48.207 79.062 11.387 1.00 80.57 O +ATOM 793 CB HIS C 170 -48.366 81.035 13.247 1.00 73.95 C +ATOM 794 CG HIS C 170 -48.546 82.215 14.154 1.00 74.06 C +ATOM 795 ND1 HIS C 170 -48.629 82.095 15.525 1.00 74.27 N +ATOM 796 CD2 HIS C 170 -48.641 83.540 13.887 1.00 76.18 C +ATOM 797 CE1 HIS C 170 -48.777 83.293 16.063 1.00 75.10 C +ATOM 798 NE2 HIS C 170 -48.787 84.188 15.091 1.00 76.38 N +ATOM 799 N SER C 171 -50.434 78.826 11.057 1.00 83.80 N +ATOM 800 CA SER C 171 -50.336 77.841 9.976 1.00 87.95 C +ATOM 801 C SER C 171 -51.724 77.531 9.405 1.00 90.07 C +ATOM 802 O SER C 171 -52.003 77.788 8.230 1.00 89.75 O +ATOM 803 CB SER C 171 -49.628 76.556 10.443 1.00 88.78 C +ATOM 804 OG SER C 171 -50.463 75.411 10.338 1.00 89.97 O Added: SwiftApps/modFTdock/input/1oxn-4.pdb =================================================================== --- SwiftApps/modFTdock/input/1oxn-4.pdb (rev 0) +++ SwiftApps/modFTdock/input/1oxn-4.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,798 @@ +ATOM 1 N ALA D 71 6.758 76.848 18.010 1.00 85.14 N +ATOM 2 CA ALA D 71 6.754 75.652 17.113 1.00 86.00 C +ATOM 3 C ALA D 71 6.484 74.360 17.890 1.00 84.57 C +ATOM 4 O ALA D 71 7.313 73.917 18.696 1.00 85.52 O +ATOM 5 CB ALA D 71 8.071 75.559 16.334 1.00 86.56 C +ATOM 6 N GLY D 72 5.317 73.766 17.643 1.00 80.86 N +ATOM 7 CA GLY D 72 4.902 72.562 18.344 1.00 76.61 C +ATOM 8 C GLY D 72 3.505 72.073 18.002 1.00 71.57 C +ATOM 9 O GLY D 72 3.178 70.905 18.250 1.00 71.23 O +ATOM 10 N ALA D 73 2.676 72.958 17.446 1.00 65.91 N +ATOM 11 CA ALA D 73 1.325 72.579 17.029 1.00 59.72 C +ATOM 12 C ALA D 73 1.412 71.621 15.856 1.00 55.06 C +ATOM 13 O ALA D 73 2.145 71.862 14.898 1.00 52.21 O +ATOM 14 CB ALA D 73 0.502 73.796 16.666 1.00 59.82 C +ATOM 15 N THR D 74 0.687 70.515 15.956 1.00 52.69 N +ATOM 16 CA THR D 74 0.738 69.483 14.936 1.00 52.11 C +ATOM 17 C THR D 74 -0.475 69.562 14.017 1.00 49.27 C +ATOM 18 O THR D 74 -1.535 70.064 14.401 1.00 48.62 O +ATOM 19 CB THR D 74 0.853 68.067 15.562 1.00 54.83 C +ATOM 20 OG1 THR D 74 -0.343 67.751 16.286 1.00 56.88 O +ATOM 21 CG2 THR D 74 1.944 68.022 16.636 1.00 58.75 C +ATOM 22 N LEU D 75 -0.287 69.068 12.798 1.00 44.80 N +ATOM 23 CA LEU D 75 -1.352 68.904 11.832 1.00 41.07 C +ATOM 24 C LEU D 75 -2.310 67.819 12.302 1.00 38.67 C +ATOM 25 O LEU D 75 -1.880 66.735 12.704 1.00 36.29 O +ATOM 26 CB LEU D 75 -0.746 68.490 10.501 1.00 43.48 C +ATOM 27 CG LEU D 75 -1.233 69.126 9.205 1.00 44.90 C +ATOM 28 CD1 LEU D 75 -1.404 70.623 9.309 1.00 42.87 C +ATOM 29 CD2 LEU D 75 -0.246 68.768 8.117 1.00 46.17 C +ATOM 30 N SER D 76 -3.608 68.109 12.263 1.00 35.79 N +ATOM 31 CA SER D 76 -4.606 67.094 12.581 1.00 35.11 C +ATOM 32 C SER D 76 -4.610 66.008 11.512 1.00 30.58 C +ATOM 33 O SER D 76 -4.456 66.302 10.324 1.00 29.10 O +ATOM 34 CB SER D 76 -5.988 67.718 12.744 1.00 40.07 C +ATOM 35 OG SER D 76 -6.002 68.582 13.867 1.00 43.64 O +ATOM 36 N ARG D 77 -4.785 64.762 11.943 1.00 28.91 N +ATOM 37 CA ARG D 77 -4.665 63.607 11.061 1.00 37.02 C +ATOM 38 C ARG D 77 -5.998 63.169 10.443 1.00 37.59 C +ATOM 39 O ARG D 77 -6.033 62.265 9.602 1.00 36.56 O +ATOM 40 CB ARG D 77 -3.981 62.443 11.796 1.00 45.54 C +ATOM 41 CG ARG D 77 -2.536 62.757 12.234 1.00 52.35 C +ATOM 42 CD ARG D 77 -1.752 61.565 12.751 1.00 60.32 C +ATOM 43 NE ARG D 77 -1.098 60.829 11.668 1.00 66.05 N +ATOM 44 CZ ARG D 77 -1.553 59.692 11.141 1.00 68.87 C +ATOM 45 NH1 ARG D 77 -2.677 59.137 11.588 1.00 69.15 N +ATOM 46 NH2 ARG D 77 -0.879 59.105 10.159 1.00 68.52 N +ATOM 47 N GLY D 78 -7.085 63.817 10.846 1.00 37.32 N +ATOM 48 CA GLY D 78 -8.400 63.463 10.341 1.00 37.09 C +ATOM 49 C GLY D 78 -8.670 64.074 8.977 1.00 32.07 C +ATOM 50 O GLY D 78 -8.502 65.282 8.803 1.00 33.26 O +ATOM 51 N PRO D 79 -9.092 63.263 8.006 1.00 29.73 N +ATOM 52 CA PRO D 79 -9.513 63.818 6.713 1.00 28.44 C +ATOM 53 C PRO D 79 -10.699 64.742 6.967 1.00 25.96 C +ATOM 54 O PRO D 79 -11.506 64.458 7.850 1.00 26.50 O +ATOM 55 CB PRO D 79 -9.940 62.592 5.902 1.00 27.82 C +ATOM 56 CG PRO D 79 -9.398 61.399 6.621 1.00 31.07 C +ATOM 57 CD PRO D 79 -9.235 61.797 8.067 1.00 32.92 C +ATOM 58 N ALA D 80 -10.760 65.859 6.254 1.00 25.78 N +ATOM 59 CA ALA D 80 -11.893 66.767 6.328 1.00 26.21 C +ATOM 60 C ALA D 80 -13.210 66.057 6.009 1.00 28.21 C +ATOM 61 O ALA D 80 -14.237 66.338 6.625 1.00 28.17 O +ATOM 62 CB ALA D 80 -11.689 67.920 5.380 1.00 26.51 C +ATOM 63 N PHE D 81 -13.161 65.141 5.043 1.00 26.85 N +ATOM 64 CA PHE D 81 -14.343 64.489 4.511 1.00 23.99 C +ATOM 65 C PHE D 81 -14.012 63.002 4.381 1.00 20.26 C +ATOM 66 O PHE D 81 -13.696 62.516 3.301 1.00 21.72 O +ATOM 67 CB PHE D 81 -14.725 65.134 3.162 1.00 24.11 C +ATOM 68 CG PHE D 81 -16.119 64.794 2.669 1.00 28.14 C +ATOM 69 CD1 PHE D 81 -16.810 63.678 3.138 1.00 26.52 C +ATOM 70 CD2 PHE D 81 -16.735 65.598 1.703 1.00 25.80 C +ATOM 71 CE1 PHE D 81 -18.096 63.380 2.671 1.00 28.11 C +ATOM 72 CE2 PHE D 81 -18.023 65.308 1.238 1.00 27.86 C +ATOM 73 CZ PHE D 81 -18.701 64.192 1.722 1.00 28.83 C +ATOM 74 N PRO D 82 -14.089 62.285 5.496 1.00 20.98 N +ATOM 75 CA PRO D 82 -13.698 60.882 5.540 1.00 21.20 C +ATOM 76 C PRO D 82 -14.382 60.023 4.484 1.00 22.52 C +ATOM 77 O PRO D 82 -13.720 59.145 3.929 1.00 23.08 O +ATOM 78 CB PRO D 82 -14.101 60.452 6.958 1.00 23.75 C +ATOM 79 CG PRO D 82 -14.040 61.690 7.747 1.00 21.76 C +ATOM 80 CD PRO D 82 -14.529 62.774 6.818 1.00 24.49 C +ATOM 81 N GLY D 83 -15.658 60.268 4.193 1.00 21.25 N +ATOM 82 CA GLY D 83 -16.386 59.417 3.261 1.00 19.45 C +ATOM 83 C GLY D 83 -15.855 59.507 1.851 1.00 22.48 C +ATOM 84 O GLY D 83 -15.971 58.572 1.061 1.00 22.52 O +ATOM 85 N MET D 84 -15.252 60.648 1.540 1.00 19.67 N +ATOM 86 CA MET D 84 -14.657 60.858 0.232 1.00 22.38 C +ATOM 87 C MET D 84 -13.224 60.313 0.143 1.00 25.97 C +ATOM 88 O MET D 84 -12.510 60.595 -0.805 1.00 25.78 O +ATOM 89 CB MET D 84 -14.751 62.337 -0.157 1.00 24.16 C +ATOM 90 CG MET D 84 -16.123 62.722 -0.715 1.00 20.12 C +ATOM 91 SD MET D 84 -16.587 61.632 -2.079 1.00 22.16 S +ATOM 92 CE MET D 84 -18.105 62.468 -2.630 1.00 20.99 C +ATOM 93 N GLY D 85 -12.822 59.522 1.138 1.00 27.88 N +ATOM 94 CA GLY D 85 -11.559 58.802 1.102 1.00 23.88 C +ATOM 95 C GLY D 85 -11.602 57.720 0.051 1.00 26.44 C +ATOM 96 O GLY D 85 -10.562 57.248 -0.419 1.00 23.48 O +ATOM 97 N SER D 86 -12.819 57.322 -0.317 1.00 21.94 N +ATOM 98 CA SER D 86 -13.023 56.387 -1.410 1.00 25.14 C +ATOM 99 C SER D 86 -12.878 57.119 -2.738 1.00 26.45 C +ATOM 100 O SER D 86 -13.617 58.064 -3.017 1.00 28.96 O +ATOM 101 CB SER D 86 -14.416 55.756 -1.312 1.00 29.24 C +ATOM 102 OG SER D 86 -14.739 55.049 -2.496 1.00 33.39 O +ATOM 103 N GLU D 87 -11.923 56.681 -3.552 1.00 26.97 N +ATOM 104 CA GLU D 87 -11.775 57.203 -4.905 1.00 26.79 C +ATOM 105 C GLU D 87 -13.047 56.960 -5.711 1.00 24.57 C +ATOM 106 O GLU D 87 -13.472 57.819 -6.481 1.00 23.69 O +ATOM 107 CB GLU D 87 -10.588 56.554 -5.610 1.00 28.33 C +ATOM 108 CG GLU D 87 -10.299 57.133 -6.987 1.00 34.02 C +ATOM 109 CD GLU D 87 -8.962 56.692 -7.549 1.00 39.62 C +ATOM 110 OE1 GLU D 87 -8.145 56.108 -6.806 1.00 47.26 O +ATOM 111 OE2 GLU D 87 -8.719 56.940 -8.742 1.00 41.15 O +ATOM 112 N GLU D 88 -13.651 55.791 -5.516 1.00 26.68 N +ATOM 113 CA GLU D 88 -14.899 55.441 -6.184 1.00 29.86 C +ATOM 114 C GLU D 88 -15.971 56.489 -5.924 1.00 24.59 C +ATOM 115 O GLU D 88 -16.640 56.945 -6.847 1.00 27.36 O +ATOM 116 CB GLU D 88 -15.374 54.055 -5.749 1.00 37.04 C +ATOM 117 CG GLU D 88 -15.692 53.136 -6.916 1.00 52.70 C +ATOM 118 CD GLU D 88 -15.702 51.665 -6.528 1.00 60.74 C +ATOM 119 OE1 GLU D 88 -16.713 51.213 -5.942 1.00 62.65 O +ATOM 120 OE2 GLU D 88 -14.702 50.964 -6.815 1.00 61.69 O +ATOM 121 N LEU D 89 -16.106 56.888 -4.665 1.00 25.96 N +ATOM 122 CA LEU D 89 -17.089 57.887 -4.283 1.00 22.06 C +ATOM 123 C LEU D 89 -16.714 59.274 -4.796 1.00 27.46 C +ATOM 124 O LEU D 89 -17.580 60.026 -5.238 1.00 30.72 O +ATOM 125 CB LEU D 89 -17.319 57.886 -2.766 1.00 21.20 C +ATOM 126 CG LEU D 89 -17.960 56.611 -2.193 1.00 29.85 C +ATOM 127 CD1 LEU D 89 -18.057 56.702 -0.678 1.00 28.34 C +ATOM 128 CD2 LEU D 89 -19.343 56.309 -2.824 1.00 28.98 C +ATOM 129 N ARG D 90 -15.425 59.600 -4.768 1.00 25.70 N +ATOM 130 CA ARG D 90 -14.963 60.866 -5.339 1.00 22.35 C +ATOM 131 C ARG D 90 -15.313 60.954 -6.820 1.00 21.60 C +ATOM 132 O ARG D 90 -15.857 61.965 -7.264 1.00 21.81 O +ATOM 133 CB ARG D 90 -13.462 61.054 -5.131 1.00 21.48 C +ATOM 134 CG ARG D 90 -13.064 61.216 -3.673 1.00 14.26 C +ATOM 135 CD ARG D 90 -11.674 61.818 -3.477 1.00 20.80 C +ATOM 136 NE ARG D 90 -10.622 61.027 -4.115 1.00 16.40 N +ATOM 137 CZ ARG D 90 -10.014 59.987 -3.537 1.00 17.26 C +ATOM 138 NH1 ARG D 90 -10.362 59.601 -2.322 1.00 16.89 N +ATOM 139 NH2 ARG D 90 -9.071 59.317 -4.175 1.00 16.83 N +ATOM 140 N LEU D 91 -15.031 59.885 -7.566 1.00 20.85 N +ATOM 141 CA LEU D 91 -15.314 59.842 -8.994 1.00 24.99 C +ATOM 142 C LEU D 91 -16.805 60.011 -9.268 1.00 23.63 C +ATOM 143 O LEU D 91 -17.187 60.751 -10.159 1.00 26.82 O +ATOM 144 CB LEU D 91 -14.859 58.516 -9.601 1.00 25.84 C +ATOM 145 CG LEU D 91 -14.171 58.520 -10.972 1.00 29.15 C +ATOM 146 CD1 LEU D 91 -14.427 57.238 -11.732 1.00 31.54 C +ATOM 147 CD2 LEU D 91 -14.457 59.745 -11.822 1.00 25.09 C +ATOM 148 N ALA D 92 -17.623 59.298 -8.503 1.00 23.42 N +ATOM 149 CA ALA D 92 -19.076 59.366 -8.615 1.00 23.57 C +ATOM 150 C ALA D 92 -19.572 60.789 -8.425 1.00 24.07 C +ATOM 151 O ALA D 92 -20.557 61.182 -9.033 1.00 30.68 O +ATOM 152 CB ALA D 92 -19.729 58.438 -7.597 1.00 21.01 C +ATOM 153 N SER D 93 -18.878 61.566 -7.595 1.00 20.64 N +ATOM 154 CA SER D 93 -19.260 62.957 -7.367 1.00 19.31 C +ATOM 155 C SER D 93 -19.184 63.804 -8.636 1.00 18.16 C +ATOM 156 O SER D 93 -19.756 64.874 -8.673 1.00 20.37 O +ATOM 157 CB SER D 93 -18.401 63.594 -6.268 1.00 25.07 C +ATOM 158 OG SER D 93 -17.084 63.843 -6.741 1.00 23.85 O +ATOM 159 N PHE D 94 -18.480 63.326 -9.664 1.00 16.84 N +ATOM 160 CA PHE D 94 -18.267 64.120 -10.874 1.00 22.69 C +ATOM 161 C PHE D 94 -19.314 63.868 -11.968 1.00 22.96 C +ATOM 162 O PHE D 94 -19.138 64.309 -13.103 1.00 23.28 O +ATOM 163 CB PHE D 94 -16.868 63.868 -11.449 1.00 20.31 C +ATOM 164 CG PHE D 94 -15.746 64.477 -10.649 1.00 21.40 C +ATOM 165 CD1 PHE D 94 -15.149 63.770 -9.607 1.00 20.68 C +ATOM 166 CD2 PHE D 94 -15.244 65.728 -10.976 1.00 22.29 C +ATOM 167 CE1 PHE D 94 -14.081 64.324 -8.878 1.00 21.47 C +ATOM 168 CE2 PHE D 94 -14.184 66.283 -10.261 1.00 21.36 C +ATOM 169 CZ PHE D 94 -13.613 65.575 -9.195 1.00 20.62 C +ATOM 170 N TYR D 95 -20.405 63.188 -11.627 1.00 23.83 N +ATOM 171 CA TYR D 95 -21.434 62.845 -12.606 1.00 26.09 C +ATOM 172 C TYR D 95 -21.897 64.082 -13.368 1.00 26.08 C +ATOM 173 O TYR D 95 -22.181 64.022 -14.571 1.00 23.24 O +ATOM 174 CB TYR D 95 -22.618 62.128 -11.937 1.00 32.66 C +ATOM 175 CG TYR D 95 -23.473 63.000 -11.038 1.00 43.59 C +ATOM 176 CD1 TYR D 95 -23.090 63.276 -9.718 1.00 47.86 C +ATOM 177 CD2 TYR D 95 -24.675 63.543 -11.501 1.00 49.60 C +ATOM 178 CE1 TYR D 95 -23.883 64.076 -8.888 1.00 50.69 C +ATOM 179 CE2 TYR D 95 -25.475 64.344 -10.677 1.00 51.07 C +ATOM 180 CZ TYR D 95 -25.074 64.605 -9.375 1.00 53.68 C +ATOM 181 OH TYR D 95 -25.865 65.398 -8.566 1.00 56.18 O +ATOM 182 N ASP D 96 -21.930 65.200 -12.651 1.00 21.76 N +ATOM 183 CA ASP D 96 -22.408 66.478 -13.159 1.00 26.15 C +ATOM 184 C ASP D 96 -21.269 67.419 -13.498 1.00 24.39 C +ATOM 185 O ASP D 96 -21.449 68.623 -13.481 1.00 21.80 O +ATOM 186 CB ASP D 96 -23.293 67.147 -12.101 1.00 34.63 C +ATOM 187 CG ASP D 96 -22.623 67.198 -10.701 1.00 39.84 C +ATOM 188 OD1 ASP D 96 -21.519 66.592 -10.495 1.00 30.85 O +ATOM 189 OD2 ASP D 96 -23.152 67.826 -9.747 1.00 41.78 O +ATOM 190 N TRP D 97 -20.089 66.870 -13.778 1.00 21.66 N +ATOM 191 CA TRP D 97 -18.939 67.672 -14.180 1.00 20.82 C +ATOM 192 C TRP D 97 -19.342 68.467 -15.426 1.00 25.39 C +ATOM 193 O TRP D 97 -19.999 67.923 -16.305 1.00 24.59 O +ATOM 194 CB TRP D 97 -17.784 66.726 -14.503 1.00 17.76 C +ATOM 195 CG TRP D 97 -16.433 67.330 -14.706 1.00 18.83 C +ATOM 196 CD1 TRP D 97 -15.635 67.173 -15.794 1.00 15.58 C +ATOM 197 CD2 TRP D 97 -15.694 68.135 -13.782 1.00 16.60 C +ATOM 198 NE1 TRP D 97 -14.453 67.847 -15.616 1.00 18.44 N +ATOM 199 CE2 TRP D 97 -14.464 68.445 -14.386 1.00 18.83 C +ATOM 200 CE3 TRP D 97 -15.958 68.648 -12.505 1.00 21.07 C +ATOM 201 CZ2 TRP D 97 -13.496 69.247 -13.763 1.00 20.85 C +ATOM 202 CZ3 TRP D 97 -14.997 69.432 -11.885 1.00 16.86 C +ATOM 203 CH2 TRP D 97 -13.786 69.725 -12.515 1.00 18.98 C +ATOM 204 N PRO D 98 -18.951 69.739 -15.512 1.00 27.06 N +ATOM 205 CA PRO D 98 -19.348 70.585 -16.647 1.00 24.59 C +ATOM 206 C PRO D 98 -18.819 70.039 -17.954 1.00 27.40 C +ATOM 207 O PRO D 98 -17.689 69.549 -18.015 1.00 25.34 O +ATOM 208 CB PRO D 98 -18.683 71.934 -16.342 1.00 24.40 C +ATOM 209 CG PRO D 98 -18.446 71.915 -14.879 1.00 29.47 C +ATOM 210 CD PRO D 98 -18.126 70.475 -14.540 1.00 22.58 C +ATOM 211 N LEU D 99 -19.634 70.130 -18.995 1.00 23.89 N +ATOM 212 CA LEU D 99 -19.207 69.709 -20.319 1.00 23.46 C +ATOM 213 C LEU D 99 -18.178 70.657 -20.902 1.00 22.56 C +ATOM 214 O LEU D 99 -17.486 70.318 -21.856 1.00 24.68 O +ATOM 215 CB LEU D 99 -20.408 69.527 -21.258 1.00 21.40 C +ATOM 216 CG LEU D 99 -21.535 68.707 -20.648 1.00 26.61 C +ATOM 217 CD1 LEU D 99 -22.637 68.494 -21.669 1.00 31.54 C +ATOM 218 CD2 LEU D 99 -21.028 67.355 -20.076 1.00 22.73 C +ATOM 219 N THR D 100 -18.054 71.841 -20.311 1.00 23.77 N +ATOM 220 CA THR D 100 -17.029 72.792 -20.735 1.00 26.10 C +ATOM 221 C THR D 100 -15.682 72.521 -20.072 1.00 25.25 C +ATOM 222 O THR D 100 -14.672 73.112 -20.459 1.00 26.06 O +ATOM 223 CB THR D 100 -17.454 74.214 -20.372 1.00 30.15 C +ATOM 224 OG1 THR D 100 -17.950 74.213 -19.024 1.00 32.14 O +ATOM 225 CG2 THR D 100 -18.647 74.665 -21.230 1.00 25.31 C +ATOM 226 N ALA D 101 -15.676 71.648 -19.067 1.00 23.49 N +ATOM 227 CA ALA D 101 -14.498 71.438 -18.216 1.00 24.64 C +ATOM 228 C ALA D 101 -13.319 70.878 -19.007 1.00 24.26 C +ATOM 229 O ALA D 101 -13.482 70.335 -20.102 1.00 25.01 O +ATOM 230 CB ALA D 101 -14.852 70.535 -17.042 1.00 21.56 C +ATOM 231 N GLU D 102 -12.120 71.032 -18.476 1.00 22.74 N +ATOM 232 CA GLU D 102 -10.942 70.780 -19.290 1.00 22.20 C +ATOM 233 C GLU D 102 -10.017 69.733 -18.682 1.00 23.57 C +ATOM 234 O GLU D 102 -9.019 69.340 -19.292 1.00 23.60 O +ATOM 235 CB GLU D 102 -10.200 72.094 -19.537 1.00 31.26 C +ATOM 236 CG GLU D 102 -10.626 72.795 -20.820 1.00 41.73 C +ATOM 237 CD GLU D 102 -10.231 74.258 -20.845 1.00 49.89 C +ATOM 238 OE1 GLU D 102 -9.017 74.562 -20.749 1.00 51.76 O +ATOM 239 OE2 GLU D 102 -11.136 75.112 -20.968 1.00 53.03 O +ATOM 240 N VAL D 103 -10.354 69.301 -17.472 1.00 21.67 N +ATOM 241 CA VAL D 103 -9.601 68.278 -16.765 1.00 23.09 C +ATOM 242 C VAL D 103 -10.599 67.198 -16.372 1.00 20.42 C +ATOM 243 O VAL D 103 -11.685 67.503 -15.878 1.00 22.10 O +ATOM 244 CB VAL D 103 -8.845 68.868 -15.544 1.00 21.31 C +ATOM 245 CG1 VAL D 103 -8.155 67.768 -14.707 1.00 18.90 C +ATOM 246 CG2 VAL D 103 -7.823 69.866 -16.021 1.00 24.61 C +ATOM 247 N PRO D 104 -10.251 65.946 -16.646 1.00 21.80 N +ATOM 248 CA PRO D 104 -11.181 64.826 -16.453 1.00 22.14 C +ATOM 249 C PRO D 104 -11.380 64.439 -15.001 1.00 21.06 C +ATOM 250 O PRO D 104 -10.436 64.471 -14.214 1.00 22.55 O +ATOM 251 CB PRO D 104 -10.518 63.673 -17.216 1.00 19.80 C +ATOM 252 CG PRO D 104 -9.043 64.010 -17.215 1.00 21.56 C +ATOM 253 CD PRO D 104 -8.947 65.507 -17.190 1.00 22.47 C +ATOM 254 N PRO D 105 -12.611 64.078 -14.662 1.00 21.26 N +ATOM 255 CA PRO D 105 -12.953 63.553 -13.336 1.00 19.03 C +ATOM 256 C PRO D 105 -12.003 62.477 -12.844 1.00 19.43 C +ATOM 257 O PRO D 105 -11.615 62.487 -11.667 1.00 21.14 O +ATOM 258 CB PRO D 105 -14.322 62.946 -13.573 1.00 19.71 C +ATOM 259 CG PRO D 105 -14.926 63.870 -14.595 1.00 20.28 C +ATOM 260 CD PRO D 105 -13.801 64.202 -15.526 1.00 20.78 C +ATOM 261 N GLU D 106 -11.641 61.545 -13.717 1.00 15.48 N +ATOM 262 CA GLU D 106 -10.878 60.405 -13.261 1.00 21.44 C +ATOM 263 C GLU D 106 -9.557 60.855 -12.655 1.00 23.04 C +ATOM 264 O GLU D 106 -9.144 60.353 -11.614 1.00 26.96 O +ATOM 265 CB GLU D 106 -10.675 59.409 -14.385 1.00 23.45 C +ATOM 266 CG GLU D 106 -10.150 58.082 -13.893 1.00 36.05 C +ATOM 267 CD GLU D 106 -8.646 58.094 -13.754 1.00 43.56 C +ATOM 268 OE1 GLU D 106 -7.973 58.780 -14.565 1.00 44.89 O +ATOM 269 OE2 GLU D 106 -8.141 57.434 -12.821 1.00 48.56 O +ATOM 270 N LEU D 107 -8.919 61.828 -13.300 1.00 22.97 N +ATOM 271 CA LEU D 107 -7.640 62.350 -12.847 1.00 24.76 C +ATOM 272 C LEU D 107 -7.826 63.159 -11.570 1.00 23.65 C +ATOM 273 O LEU D 107 -7.030 63.077 -10.644 1.00 23.72 O +ATOM 274 CB LEU D 107 -7.025 63.228 -13.932 1.00 23.38 C +ATOM 275 CG LEU D 107 -5.717 62.789 -14.587 1.00 34.33 C +ATOM 276 CD1 LEU D 107 -5.492 61.279 -14.548 1.00 36.01 C +ATOM 277 CD2 LEU D 107 -5.662 63.317 -16.023 1.00 35.81 C +ATOM 278 N LEU D 108 -8.899 63.932 -11.522 1.00 18.85 N +ATOM 279 CA LEU D 108 -9.173 64.742 -10.350 1.00 17.99 C +ATOM 280 C LEU D 108 -9.403 63.881 -9.134 1.00 16.92 C +ATOM 281 O LEU D 108 -8.813 64.122 -8.082 1.00 21.59 O +ATOM 282 CB LEU D 108 -10.374 65.640 -10.603 1.00 17.51 C +ATOM 283 CG LEU D 108 -9.951 66.746 -11.558 1.00 18.71 C +ATOM 284 CD1 LEU D 108 -11.163 67.320 -12.290 1.00 20.69 C +ATOM 285 CD2 LEU D 108 -9.212 67.838 -10.784 1.00 20.00 C +ATOM 286 N ALA D 109 -10.234 62.859 -9.299 1.00 17.91 N +ATOM 287 CA ALA D 109 -10.613 61.974 -8.202 1.00 20.89 C +ATOM 288 C ALA D 109 -9.428 61.158 -7.708 1.00 21.48 C +ATOM 289 O ALA D 109 -9.323 60.869 -6.512 1.00 20.19 O +ATOM 290 CB ALA D 109 -11.754 61.039 -8.629 1.00 19.28 C +ATOM 291 N ALA D 110 -8.557 60.770 -8.639 1.00 22.78 N +ATOM 292 CA ALA D 110 -7.338 60.041 -8.301 1.00 20.38 C +ATOM 293 C ALA D 110 -6.465 60.916 -7.406 1.00 22.31 C +ATOM 294 O ALA D 110 -5.840 60.419 -6.480 1.00 25.48 O +ATOM 295 CB ALA D 110 -6.583 59.619 -9.570 1.00 18.63 C +ATOM 296 N ALA D 111 -6.462 62.225 -7.657 1.00 23.42 N +ATOM 297 CA ALA D 111 -5.645 63.151 -6.871 1.00 21.88 C +ATOM 298 C ALA D 111 -6.320 63.621 -5.575 1.00 22.47 C +ATOM 299 O ALA D 111 -5.847 64.564 -4.949 1.00 21.52 O +ATOM 300 CB ALA D 111 -5.232 64.360 -7.729 1.00 22.89 C +ATOM 301 N GLY D 112 -7.439 62.995 -5.203 1.00 18.73 N +ATOM 302 CA GLY D 112 -8.071 63.251 -3.920 1.00 18.67 C +ATOM 303 C GLY D 112 -9.249 64.215 -3.976 1.00 23.17 C +ATOM 304 O GLY D 112 -9.870 64.492 -2.946 1.00 22.23 O +ATOM 305 N PHE D 113 -9.568 64.709 -5.172 1.00 18.77 N +ATOM 306 CA PHE D 113 -10.601 65.733 -5.311 1.00 18.40 C +ATOM 307 C PHE D 113 -11.966 65.118 -5.548 1.00 17.72 C +ATOM 308 O PHE D 113 -12.099 64.110 -6.245 1.00 16.91 O +ATOM 309 CB PHE D 113 -10.242 66.701 -6.442 1.00 18.20 C +ATOM 310 CG PHE D 113 -8.968 67.451 -6.198 1.00 19.79 C +ATOM 311 CD1 PHE D 113 -8.897 68.416 -5.208 1.00 21.23 C +ATOM 312 CD2 PHE D 113 -7.828 67.169 -6.936 1.00 20.56 C +ATOM 313 CE1 PHE D 113 -7.708 69.100 -4.966 1.00 21.73 C +ATOM 314 CE2 PHE D 113 -6.640 67.848 -6.700 1.00 19.76 C +ATOM 315 CZ PHE D 113 -6.580 68.808 -5.714 1.00 19.64 C +ATOM 316 N PHE D 114 -12.979 65.709 -4.931 1.00 17.02 N +ATOM 317 CA PHE D 114 -14.349 65.400 -5.293 1.00 22.70 C +ATOM 318 C PHE D 114 -14.977 66.686 -5.811 1.00 23.22 C +ATOM 319 O PHE D 114 -14.536 67.783 -5.476 1.00 25.00 O +ATOM 320 CB PHE D 114 -15.131 64.833 -4.101 1.00 18.25 C +ATOM 321 CG PHE D 114 -15.248 65.789 -2.951 1.00 22.28 C +ATOM 322 CD1 PHE D 114 -16.304 66.688 -2.890 1.00 20.03 C +ATOM 323 CD2 PHE D 114 -14.294 65.803 -1.933 1.00 24.37 C +ATOM 324 CE1 PHE D 114 -16.421 67.585 -1.832 1.00 22.93 C +ATOM 325 CE2 PHE D 114 -14.399 66.705 -0.871 1.00 24.35 C +ATOM 326 CZ PHE D 114 -15.469 67.595 -0.822 1.00 26.91 C +ATOM 327 N HIS D 115 -16.015 66.537 -6.617 1.00 22.35 N +ATOM 328 CA HIS D 115 -16.749 67.660 -7.166 1.00 21.89 C +ATOM 329 C HIS D 115 -17.747 68.207 -6.152 1.00 19.17 C +ATOM 330 O HIS D 115 -18.464 67.450 -5.520 1.00 22.75 O +ATOM 331 CB HIS D 115 -17.498 67.201 -8.420 1.00 23.21 C +ATOM 332 CG HIS D 115 -18.089 68.322 -9.212 1.00 24.23 C +ATOM 333 ND1 HIS D 115 -19.227 68.174 -9.976 1.00 22.17 N +ATOM 334 CD2 HIS D 115 -17.701 69.610 -9.357 1.00 23.40 C +ATOM 335 CE1 HIS D 115 -19.508 69.321 -10.564 1.00 24.25 C +ATOM 336 NE2 HIS D 115 -18.593 70.206 -10.212 1.00 28.20 N +ATOM 337 N THR D 116 -17.802 69.522 -5.998 1.00 21.76 N +ATOM 338 CA THR D 116 -18.771 70.123 -5.071 1.00 30.30 C +ATOM 339 C THR D 116 -20.176 70.156 -5.679 1.00 40.86 C +ATOM 340 O THR D 116 -21.177 70.269 -4.957 1.00 42.78 O +ATOM 341 CB THR D 116 -18.353 71.549 -4.680 1.00 29.29 C +ATOM 342 OG1 THR D 116 -18.273 72.354 -5.867 1.00 33.00 O +ATOM 343 CG2 THR D 116 -16.928 71.575 -4.137 1.00 29.10 C +ATOM 344 N GLY D 117 -20.241 70.058 -7.009 1.00 46.37 N +ATOM 345 CA GLY D 117 -21.499 70.101 -7.740 1.00 43.91 C +ATOM 346 C GLY D 117 -21.718 71.486 -8.314 1.00 44.22 C +ATOM 347 O GLY D 117 -22.773 71.796 -8.856 1.00 50.48 O +ATOM 348 N HIS D 118 -20.707 72.330 -8.182 1.00 45.47 N +ATOM 349 CA HIS D 118 -20.799 73.706 -8.639 1.00 46.69 C +ATOM 350 C HIS D 118 -19.655 73.979 -9.602 1.00 40.91 C +ATOM 351 O HIS D 118 -18.482 73.947 -9.206 1.00 34.91 O +ATOM 352 CB HIS D 118 -20.795 74.668 -7.441 1.00 51.90 C +ATOM 353 CG HIS D 118 -21.925 74.429 -6.486 1.00 59.66 C +ATOM 354 ND1 HIS D 118 -23.154 75.044 -6.614 1.00 61.55 N +ATOM 355 CD2 HIS D 118 -22.025 73.614 -5.407 1.00 62.21 C +ATOM 356 CE1 HIS D 118 -23.956 74.630 -5.648 1.00 62.30 C +ATOM 357 NE2 HIS D 118 -23.296 73.759 -4.904 1.00 62.51 N +ATOM 358 N GLN D 119 -20.007 74.201 -10.873 1.00 31.59 N +ATOM 359 CA GLN D 119 -19.029 74.474 -11.920 1.00 32.42 C +ATOM 360 C GLN D 119 -17.935 73.406 -11.892 1.00 26.81 C +ATOM 361 O GLN D 119 -18.221 72.230 -11.730 1.00 22.50 O +ATOM 362 CB GLN D 119 -18.438 75.876 -11.764 1.00 37.56 C +ATOM 363 CG GLN D 119 -19.441 76.994 -12.012 1.00 45.19 C +ATOM 364 CD GLN D 119 -20.196 77.375 -10.757 1.00 52.87 C +ATOM 365 OE1 GLN D 119 -19.653 78.055 -9.887 1.00 59.69 O +ATOM 366 NE2 GLN D 119 -21.446 76.932 -10.652 1.00 54.61 N +ATOM 367 N ASP D 120 -16.681 73.798 -12.032 1.00 22.85 N +ATOM 368 CA ASP D 120 -15.651 72.791 -12.016 1.00 24.01 C +ATOM 369 C ASP D 120 -14.886 72.827 -10.698 1.00 24.26 C +ATOM 370 O ASP D 120 -13.695 72.503 -10.650 1.00 18.97 O +ATOM 371 CB ASP D 120 -14.749 72.892 -13.254 1.00 25.45 C +ATOM 372 CG ASP D 120 -13.865 74.124 -13.251 1.00 27.18 C +ATOM 373 OD1 ASP D 120 -14.130 75.069 -12.478 1.00 25.71 O +ATOM 374 OD2 ASP D 120 -12.875 74.232 -14.003 1.00 32.74 O +ATOM 375 N LYS D 121 -15.592 73.217 -9.638 1.00 22.34 N +ATOM 376 CA LYS D 121 -15.006 73.317 -8.307 1.00 21.88 C +ATOM 377 C LYS D 121 -14.823 71.963 -7.687 1.00 22.27 C +ATOM 378 O LYS D 121 -15.728 71.131 -7.699 1.00 22.85 O +ATOM 379 CB LYS D 121 -15.864 74.179 -7.388 1.00 23.05 C +ATOM 380 CG LYS D 121 -15.921 75.619 -7.831 1.00 30.66 C +ATOM 381 CD LYS D 121 -16.831 76.437 -6.951 1.00 32.20 C +ATOM 382 CE LYS D 121 -17.251 77.704 -7.678 1.00 38.64 C +ATOM 383 NZ LYS D 121 -17.830 78.694 -6.732 1.00 45.65 N +ATOM 384 N VAL D 122 -13.642 71.745 -7.130 1.00 21.94 N +ATOM 385 CA VAL D 122 -13.360 70.506 -6.429 1.00 20.78 C +ATOM 386 C VAL D 122 -12.760 70.804 -5.063 1.00 22.50 C +ATOM 387 O VAL D 122 -12.215 71.879 -4.823 1.00 22.17 O +ATOM 388 CB VAL D 122 -12.413 69.579 -7.223 1.00 21.79 C +ATOM 389 CG1 VAL D 122 -13.030 69.194 -8.571 1.00 21.10 C +ATOM 390 CG2 VAL D 122 -11.050 70.218 -7.413 1.00 19.71 C +ATOM 391 N ARG D 123 -12.881 69.840 -4.168 1.00 22.67 N +ATOM 392 CA ARG D 123 -12.207 69.905 -2.897 1.00 19.14 C +ATOM 393 C ARG D 123 -11.562 68.571 -2.656 1.00 19.69 C +ATOM 394 O ARG D 123 -12.072 67.535 -3.086 1.00 20.68 O +ATOM 395 CB ARG D 123 -13.189 70.240 -1.781 1.00 20.98 C +ATOM 396 CG ARG D 123 -13.577 71.708 -1.761 1.00 24.07 C +ATOM 397 CD ARG D 123 -14.026 72.154 -0.418 1.00 28.96 C +ATOM 398 NE ARG D 123 -14.528 73.518 -0.412 1.00 28.81 N +ATOM 399 CZ ARG D 123 -13.839 74.588 -0.039 1.00 30.67 C +ATOM 400 NH1 ARG D 123 -12.571 74.493 0.373 1.00 25.27 N +ATOM 401 NH2 ARG D 123 -14.433 75.771 -0.081 1.00 30.20 N +ATOM 402 N CYS D 124 -10.414 68.599 -1.991 1.00 13.85 N +ATOM 403 CA CYS D 124 -9.727 67.381 -1.643 1.00 17.40 C +ATOM 404 C CYS D 124 -10.456 66.834 -0.445 1.00 18.23 C +ATOM 405 O CYS D 124 -10.805 67.602 0.437 1.00 18.16 O +ATOM 406 CB CYS D 124 -8.284 67.683 -1.253 1.00 15.90 C +ATOM 407 SG CYS D 124 -7.483 66.260 -0.511 1.00 21.93 S +ATOM 408 N PHE D 125 -10.685 65.524 -0.405 1.00 20.03 N +ATOM 409 CA PHE D 125 -11.362 64.914 0.746 1.00 21.98 C +ATOM 410 C PHE D 125 -10.547 65.087 2.025 1.00 27.07 C +ATOM 411 O PHE D 125 -11.110 65.191 3.127 1.00 25.11 O +ATOM 412 CB PHE D 125 -11.643 63.424 0.499 1.00 18.23 C +ATOM 413 CG PHE D 125 -10.470 62.524 0.767 1.00 20.59 C +ATOM 414 CD1 PHE D 125 -9.489 62.335 -0.200 1.00 18.48 C +ATOM 415 CD2 PHE D 125 -10.345 61.860 1.994 1.00 22.85 C +ATOM 416 CE1 PHE D 125 -8.388 61.515 0.046 1.00 22.86 C +ATOM 417 CE2 PHE D 125 -9.245 61.031 2.264 1.00 20.92 C +ATOM 418 CZ PHE D 125 -8.261 60.853 1.293 1.00 24.47 C +ATOM 419 N PHE D 126 -9.220 65.121 1.882 1.00 26.25 N +ATOM 420 CA PHE D 126 -8.354 65.217 3.049 1.00 21.46 C +ATOM 421 C PHE D 126 -8.155 66.612 3.590 1.00 21.34 C +ATOM 422 O PHE D 126 -8.565 66.897 4.709 1.00 22.72 O +ATOM 423 CB PHE D 126 -7.005 64.526 2.836 1.00 27.51 C +ATOM 424 CG PHE D 126 -6.389 64.086 4.113 1.00 26.68 C +ATOM 425 CD1 PHE D 126 -5.731 64.999 4.919 1.00 25.63 C +ATOM 426 CD2 PHE D 126 -6.541 62.782 4.556 1.00 27.63 C +ATOM 427 CE1 PHE D 126 -5.216 64.610 6.139 1.00 27.69 C +ATOM 428 CE2 PHE D 126 -6.011 62.386 5.777 1.00 27.90 C +ATOM 429 CZ PHE D 126 -5.348 63.313 6.562 1.00 25.87 C +ATOM 430 N CYS D 127 -7.523 67.480 2.802 1.00 19.90 N +ATOM 431 CA CYS D 127 -7.197 68.819 3.260 1.00 22.51 C +ATOM 432 C CYS D 127 -8.332 69.805 3.006 1.00 25.02 C +ATOM 433 O CYS D 127 -8.292 70.947 3.489 1.00 20.44 O +ATOM 434 CB CYS D 127 -5.915 69.320 2.577 1.00 23.18 C +ATOM 435 SG CYS D 127 -6.029 69.495 0.779 1.00 18.74 S +ATOM 436 N TYR D 128 -9.331 69.374 2.232 1.00 24.40 N +ATOM 437 CA TYR D 128 -10.452 70.237 1.862 1.00 22.47 C +ATOM 438 C TYR D 128 -10.033 71.419 0.992 1.00 22.08 C +ATOM 439 O TYR D 128 -10.791 72.371 0.822 1.00 22.23 O +ATOM 440 CB TYR D 128 -11.189 70.743 3.106 1.00 22.13 C +ATOM 441 CG TYR D 128 -12.669 70.911 2.892 1.00 27.07 C +ATOM 442 CD1 TYR D 128 -13.468 69.823 2.529 1.00 29.75 C +ATOM 443 CD2 TYR D 128 -13.273 72.153 3.055 1.00 30.45 C +ATOM 444 CE1 TYR D 128 -14.829 69.970 2.323 1.00 33.65 C +ATOM 445 CE2 TYR D 128 -14.637 72.317 2.859 1.00 32.05 C +ATOM 446 CZ TYR D 128 -15.410 71.219 2.492 1.00 34.96 C +ATOM 447 OH TYR D 128 -16.761 71.380 2.294 1.00 35.47 O +ATOM 448 N GLY D 129 -8.825 71.352 0.446 1.00 25.28 N +ATOM 449 CA GLY D 129 -8.352 72.348 -0.494 1.00 20.44 C +ATOM 450 C GLY D 129 -9.259 72.423 -1.711 1.00 24.06 C +ATOM 451 O GLY D 129 -9.548 71.407 -2.353 1.00 21.74 O +ATOM 452 N GLY D 130 -9.707 73.636 -2.009 1.00 22.68 N +ATOM 453 CA GLY D 130 -10.651 73.878 -3.071 1.00 24.57 C +ATOM 454 C GLY D 130 -9.990 74.506 -4.278 1.00 24.61 C +ATOM 455 O GLY D 130 -9.319 75.531 -4.170 1.00 23.75 O +ATOM 456 N LEU D 131 -10.194 73.883 -5.434 1.00 21.42 N +ATOM 457 CA LEU D 131 -9.640 74.371 -6.686 1.00 21.63 C +ATOM 458 C LEU D 131 -10.728 74.420 -7.734 1.00 25.59 C +ATOM 459 O LEU D 131 -11.669 73.630 -7.694 1.00 22.63 O +ATOM 460 CB LEU D 131 -8.509 73.462 -7.168 1.00 23.59 C +ATOM 461 CG LEU D 131 -7.214 73.435 -6.354 1.00 25.31 C +ATOM 462 CD1 LEU D 131 -6.204 72.489 -6.995 1.00 21.60 C +ATOM 463 CD2 LEU D 131 -6.625 74.839 -6.225 1.00 24.14 C +ATOM 464 N GLN D 132 -10.586 75.352 -8.675 1.00 26.15 N +ATOM 465 CA GLN D 132 -11.521 75.498 -9.777 1.00 28.55 C +ATOM 466 C GLN D 132 -10.803 76.088 -10.981 1.00 30.63 C +ATOM 467 O GLN D 132 -9.589 76.339 -10.922 1.00 28.47 O +ATOM 468 CB GLN D 132 -12.684 76.404 -9.369 1.00 32.12 C +ATOM 469 CG GLN D 132 -12.269 77.818 -9.002 1.00 33.69 C +ATOM 470 CD GLN D 132 -13.433 78.626 -8.489 1.00 38.12 C +ATOM 471 OE1 GLN D 132 -13.892 78.417 -7.370 1.00 39.36 O +ATOM 472 NE2 GLN D 132 -13.925 79.540 -9.310 1.00 36.68 N +ATOM 473 N SER D 133 -11.567 76.320 -12.053 1.00 26.97 N +ATOM 474 CA SER D 133 -11.071 76.913 -13.293 1.00 30.41 C +ATOM 475 C SER D 133 -9.905 76.085 -13.813 1.00 33.14 C +ATOM 476 O SER D 133 -8.820 76.610 -14.083 1.00 29.62 O +ATOM 477 CB SER D 133 -10.667 78.381 -13.099 1.00 33.15 C +ATOM 478 OG SER D 133 -11.655 79.112 -12.391 1.00 39.92 O +ATOM 479 N TRP D 134 -10.148 74.779 -13.939 1.00 32.60 N +ATOM 480 CA TRP D 134 -9.133 73.828 -14.376 1.00 28.38 C +ATOM 481 C TRP D 134 -8.878 74.025 -15.853 1.00 26.24 C +ATOM 482 O TRP D 134 -9.808 74.144 -16.624 1.00 28.00 O +ATOM 483 CB TRP D 134 -9.607 72.399 -14.108 1.00 26.65 C +ATOM 484 CG TRP D 134 -9.630 72.070 -12.656 1.00 24.24 C +ATOM 485 CD1 TRP D 134 -10.664 72.265 -11.774 1.00 24.01 C +ATOM 486 CD2 TRP D 134 -8.564 71.510 -11.906 1.00 21.21 C +ATOM 487 NE1 TRP D 134 -10.301 71.839 -10.520 1.00 21.54 N +ATOM 488 CE2 TRP D 134 -9.011 71.375 -10.574 1.00 18.90 C +ATOM 489 CE3 TRP D 134 -7.267 71.079 -12.230 1.00 22.65 C +ATOM 490 CZ2 TRP D 134 -8.211 70.849 -9.572 1.00 20.37 C +ATOM 491 CZ3 TRP D 134 -6.475 70.546 -11.234 1.00 25.28 C +ATOM 492 CH2 TRP D 134 -6.949 70.430 -9.920 1.00 25.24 C +ATOM 493 N LYS D 135 -7.611 74.068 -16.239 1.00 30.06 N +ATOM 494 CA LYS D 135 -7.242 74.295 -17.627 1.00 30.48 C +ATOM 495 C LYS D 135 -6.632 73.044 -18.216 1.00 29.42 C +ATOM 496 O LYS D 135 -6.057 72.214 -17.499 1.00 29.87 O +ATOM 497 CB LYS D 135 -6.254 75.458 -17.730 1.00 39.68 C +ATOM 498 CG LYS D 135 -6.889 76.825 -17.501 1.00 48.48 C +ATOM 499 CD LYS D 135 -5.987 77.714 -16.656 1.00 57.43 C +ATOM 500 CE LYS D 135 -6.486 79.159 -16.618 1.00 62.27 C +ATOM 501 NZ LYS D 135 -7.800 79.292 -15.926 1.00 63.45 N +ATOM 502 N ARG D 136 -6.761 72.914 -19.531 1.00 27.02 N +ATOM 503 CA ARG D 136 -6.259 71.766 -20.258 1.00 32.97 C +ATOM 504 C ARG D 136 -4.797 71.545 -19.898 1.00 32.72 C +ATOM 505 O ARG D 136 -4.001 72.481 -19.889 1.00 34.94 O +ATOM 506 CB ARG D 136 -6.430 71.988 -21.764 1.00 40.26 C +ATOM 507 CG ARG D 136 -5.827 70.898 -22.640 1.00 52.77 C +ATOM 508 CD ARG D 136 -5.659 71.303 -24.099 1.00 63.77 C +ATOM 509 NE ARG D 136 -4.816 70.361 -24.839 1.00 72.75 N +ATOM 510 CZ ARG D 136 -3.763 70.708 -25.574 1.00 78.86 C +ATOM 511 NH1 ARG D 136 -3.403 71.984 -25.681 1.00 80.84 N +ATOM 512 NH2 ARG D 136 -3.064 69.776 -26.209 1.00 81.56 N +ATOM 513 N GLY D 137 -4.458 70.304 -19.584 1.00 36.84 N +ATOM 514 CA GLY D 137 -3.103 69.967 -19.187 1.00 40.07 C +ATOM 515 C GLY D 137 -2.773 70.195 -17.718 1.00 38.78 C +ATOM 516 O GLY D 137 -1.697 69.785 -17.276 1.00 37.34 O +ATOM 517 N ASP D 138 -3.667 70.846 -16.963 1.00 33.98 N +ATOM 518 CA ASP D 138 -3.461 70.973 -15.520 1.00 34.67 C +ATOM 519 C ASP D 138 -3.382 69.580 -14.950 1.00 31.57 C +ATOM 520 O ASP D 138 -4.209 68.718 -15.263 1.00 35.67 O +ATOM 521 CB ASP D 138 -4.599 71.716 -14.826 1.00 33.22 C +ATOM 522 CG ASP D 138 -4.427 73.210 -14.856 1.00 35.26 C +ATOM 523 OD1 ASP D 138 -3.447 73.721 -15.449 1.00 39.20 O +ATOM 524 OD2 ASP D 138 -5.251 73.965 -14.325 1.00 36.56 O +ATOM 525 N ASP D 139 -2.368 69.358 -14.134 1.00 29.85 N +ATOM 526 CA ASP D 139 -2.203 68.075 -13.488 1.00 30.39 C +ATOM 527 C ASP D 139 -2.709 68.178 -12.044 1.00 26.93 C +ATOM 528 O ASP D 139 -2.140 68.906 -11.231 1.00 32.72 O +ATOM 529 CB ASP D 139 -0.743 67.641 -13.551 1.00 29.46 C +ATOM 530 CG ASP D 139 -0.505 66.343 -12.838 1.00 35.25 C +ATOM 531 OD1 ASP D 139 -0.989 65.263 -13.220 1.00 40.28 O +ATOM 532 OD2 ASP D 139 0.183 66.360 -11.802 1.00 39.66 O +ATOM 533 N PRO D 140 -3.788 67.467 -11.729 1.00 27.41 N +ATOM 534 CA PRO D 140 -4.391 67.543 -10.393 1.00 25.53 C +ATOM 535 C PRO D 140 -3.397 67.309 -9.247 1.00 26.91 C +ATOM 536 O PRO D 140 -3.420 68.082 -8.289 1.00 25.25 O +ATOM 537 CB PRO D 140 -5.482 66.483 -10.446 1.00 24.26 C +ATOM 538 CG PRO D 140 -5.874 66.474 -11.923 1.00 24.38 C +ATOM 539 CD PRO D 140 -4.546 66.575 -12.631 1.00 24.66 C +ATOM 540 N TRP D 141 -2.526 66.307 -9.354 1.00 24.34 N +ATOM 541 CA TRP D 141 -1.501 66.093 -8.329 1.00 23.49 C +ATOM 542 C TRP D 141 -0.614 67.319 -8.095 1.00 23.61 C +ATOM 543 O TRP D 141 -0.396 67.730 -6.958 1.00 26.05 O +ATOM 544 CB TRP D 141 -0.644 64.889 -8.693 1.00 24.71 C +ATOM 545 CG TRP D 141 -1.258 63.579 -8.298 1.00 22.73 C +ATOM 546 CD1 TRP D 141 -1.461 62.500 -9.103 1.00 25.20 C +ATOM 547 CD2 TRP D 141 -1.745 63.207 -7.000 1.00 22.06 C +ATOM 548 NE1 TRP D 141 -2.039 61.479 -8.387 1.00 26.15 N +ATOM 549 CE2 TRP D 141 -2.213 61.887 -7.090 1.00 22.48 C +ATOM 550 CE3 TRP D 141 -1.828 63.861 -5.763 1.00 23.12 C +ATOM 551 CZ2 TRP D 141 -2.747 61.203 -5.998 1.00 23.61 C +ATOM 552 CZ3 TRP D 141 -2.362 63.173 -4.675 1.00 22.41 C +ATOM 553 CH2 TRP D 141 -2.810 61.865 -4.805 1.00 21.86 C +ATOM 554 N THR D 142 -0.148 67.917 -9.188 1.00 21.94 N +ATOM 555 CA THR D 142 0.719 69.091 -9.159 1.00 23.14 C +ATOM 556 C THR D 142 0.016 70.292 -8.559 1.00 22.42 C +ATOM 557 O THR D 142 0.588 71.016 -7.737 1.00 24.79 O +ATOM 558 CB THR D 142 1.170 69.401 -10.595 1.00 22.46 C +ATOM 559 OG1 THR D 142 1.912 68.282 -11.083 1.00 26.51 O +ATOM 560 CG2 THR D 142 2.156 70.546 -10.629 1.00 23.36 C +ATOM 561 N GLU D 143 -1.233 70.494 -8.966 1.00 20.86 N +ATOM 562 CA GLU D 143 -2.043 71.571 -8.417 1.00 23.60 C +ATOM 563 C GLU D 143 -2.263 71.350 -6.932 1.00 24.91 C +ATOM 564 O GLU D 143 -2.197 72.286 -6.141 1.00 28.09 O +ATOM 565 CB GLU D 143 -3.396 71.625 -9.123 1.00 24.81 C +ATOM 566 CG GLU D 143 -3.319 72.063 -10.571 1.00 26.42 C +ATOM 567 CD GLU D 143 -2.593 73.378 -10.736 1.00 32.66 C +ATOM 568 OE1 GLU D 143 -2.906 74.342 -9.993 1.00 28.75 O +ATOM 569 OE2 GLU D 143 -1.692 73.430 -11.604 1.00 37.63 O +ATOM 570 N HIS D 144 -2.533 70.101 -6.567 1.00 21.86 N +ATOM 571 CA HIS D 144 -2.707 69.724 -5.175 1.00 22.60 C +ATOM 572 C HIS D 144 -1.449 70.101 -4.376 1.00 25.05 C +ATOM 573 O HIS D 144 -1.539 70.651 -3.285 1.00 28.75 O +ATOM 574 CB HIS D 144 -2.966 68.228 -5.108 1.00 16.67 C +ATOM 575 CG HIS D 144 -3.757 67.789 -3.914 1.00 18.74 C +ATOM 576 ND1 HIS D 144 -4.501 66.630 -3.915 1.00 20.41 N +ATOM 577 CD2 HIS D 144 -3.864 68.303 -2.667 1.00 17.72 C +ATOM 578 CE1 HIS D 144 -5.046 66.457 -2.726 1.00 21.51 C +ATOM 579 NE2 HIS D 144 -4.676 67.460 -1.951 1.00 19.57 N +ATOM 580 N ALA D 145 -0.281 69.830 -4.948 1.00 24.51 N +ATOM 581 CA ALA D 145 0.982 70.115 -4.276 1.00 26.86 C +ATOM 582 C ALA D 145 1.277 71.613 -4.229 1.00 25.72 C +ATOM 583 O ALA D 145 1.743 72.136 -3.219 1.00 27.29 O +ATOM 584 CB ALA D 145 2.114 69.355 -4.951 1.00 22.04 C +ATOM 585 N LYS D 146 0.966 72.301 -5.320 1.00 28.90 N +ATOM 586 CA LYS D 146 1.164 73.742 -5.413 1.00 30.64 C +ATOM 587 C LYS D 146 0.388 74.496 -4.336 1.00 32.78 C +ATOM 588 O LYS D 146 0.886 75.448 -3.737 1.00 33.09 O +ATOM 589 CB LYS D 146 0.740 74.222 -6.801 1.00 34.06 C +ATOM 590 CG LYS D 146 1.168 75.639 -7.132 1.00 41.91 C +ATOM 591 CD LYS D 146 0.490 76.167 -8.393 1.00 46.63 C +ATOM 592 CE LYS D 146 0.595 77.700 -8.457 1.00 50.17 C +ATOM 593 NZ LYS D 146 -0.022 78.284 -9.686 1.00 50.99 N +ATOM 594 N TRP D 147 -0.837 74.059 -4.084 1.00 31.47 N +ATOM 595 CA TRP D 147 -1.745 74.831 -3.254 1.00 26.34 C +ATOM 596 C TRP D 147 -1.876 74.326 -1.833 1.00 24.57 C +ATOM 597 O TRP D 147 -2.100 75.112 -0.922 1.00 27.34 O +ATOM 598 CB TRP D 147 -3.124 74.894 -3.922 1.00 28.59 C +ATOM 599 CG TRP D 147 -3.079 75.644 -5.200 1.00 29.73 C +ATOM 600 CD1 TRP D 147 -3.175 75.131 -6.453 1.00 27.56 C +ATOM 601 CD2 TRP D 147 -2.872 77.050 -5.353 1.00 29.53 C +ATOM 602 NE1 TRP D 147 -3.078 76.134 -7.384 1.00 31.75 N +ATOM 603 CE2 TRP D 147 -2.884 77.326 -6.735 1.00 31.11 C +ATOM 604 CE3 TRP D 147 -2.684 78.115 -4.456 1.00 30.57 C +ATOM 605 CZ2 TRP D 147 -2.719 78.619 -7.248 1.00 34.08 C +ATOM 606 CZ3 TRP D 147 -2.526 79.403 -4.959 1.00 31.67 C +ATOM 607 CH2 TRP D 147 -2.542 79.641 -6.346 1.00 35.78 C +ATOM 608 N PHE D 148 -1.758 73.016 -1.638 1.00 26.74 N +ATOM 609 CA PHE D 148 -2.008 72.431 -0.321 1.00 25.61 C +ATOM 610 C PHE D 148 -0.874 71.501 0.059 1.00 26.93 C +ATOM 611 O PHE D 148 -1.081 70.294 0.242 1.00 21.17 O +ATOM 612 CB PHE D 148 -3.369 71.719 -0.329 1.00 27.44 C +ATOM 613 CG PHE D 148 -4.416 72.457 -1.128 1.00 24.78 C +ATOM 614 CD1 PHE D 148 -4.856 73.715 -0.724 1.00 25.98 C +ATOM 615 CD2 PHE D 148 -4.943 71.909 -2.290 1.00 27.68 C +ATOM 616 CE1 PHE D 148 -5.798 74.420 -1.471 1.00 25.16 C +ATOM 617 CE2 PHE D 148 -5.904 72.593 -3.028 1.00 23.60 C +ATOM 618 CZ PHE D 148 -6.317 73.857 -2.628 1.00 21.64 C +ATOM 619 N PRO D 149 0.336 72.060 0.183 1.00 26.70 N +ATOM 620 CA PRO D 149 1.535 71.237 0.383 1.00 23.82 C +ATOM 621 C PRO D 149 1.495 70.371 1.645 1.00 25.69 C +ATOM 622 O PRO D 149 2.146 69.331 1.667 1.00 26.83 O +ATOM 623 CB PRO D 149 2.671 72.269 0.476 1.00 26.41 C +ATOM 624 CG PRO D 149 2.014 73.554 0.785 1.00 25.43 C +ATOM 625 CD PRO D 149 0.654 73.501 0.156 1.00 23.12 C +ATOM 626 N SER D 150 0.730 70.759 2.661 1.00 25.91 N +ATOM 627 CA SER D 150 0.719 69.991 3.906 1.00 25.74 C +ATOM 628 C SER D 150 -0.331 68.874 3.929 1.00 26.87 C +ATOM 629 O SER D 150 -0.454 68.135 4.917 1.00 24.15 O +ATOM 630 CB SER D 150 0.572 70.925 5.109 1.00 32.62 C +ATOM 631 OG SER D 150 -0.686 71.574 5.090 1.00 44.02 O +ATOM 632 N CYS D 151 -1.083 68.740 2.842 1.00 23.61 N +ATOM 633 CA CYS D 151 -2.092 67.689 2.749 1.00 20.27 C +ATOM 634 C CYS D 151 -1.474 66.318 2.921 1.00 23.38 C +ATOM 635 O CYS D 151 -0.609 65.913 2.141 1.00 24.04 O +ATOM 636 CB CYS D 151 -2.828 67.745 1.408 1.00 18.98 C +ATOM 637 SG CYS D 151 -3.962 66.358 1.264 1.00 23.58 S +ATOM 638 N GLN D 152 -1.954 65.585 3.921 1.00 25.41 N +ATOM 639 CA GLN D 152 -1.360 64.301 4.269 1.00 26.89 C +ATOM 640 C GLN D 152 -1.691 63.227 3.268 1.00 28.57 C +ATOM 641 O GLN D 152 -0.937 62.268 3.107 1.00 24.82 O +ATOM 642 CB GLN D 152 -1.783 63.872 5.670 1.00 29.36 C +ATOM 643 CG GLN D 152 -1.148 64.739 6.773 1.00 38.30 C +ATOM 644 CD GLN D 152 -1.852 64.584 8.107 1.00 41.46 C +ATOM 645 OE1 GLN D 152 -1.724 63.552 8.764 1.00 47.70 O +ATOM 646 NE2 GLN D 152 -2.608 65.597 8.500 1.00 43.36 N +ATOM 647 N PHE D 153 -2.824 63.381 2.588 1.00 26.67 N +ATOM 648 CA PHE D 153 -3.171 62.423 1.555 1.00 23.57 C +ATOM 649 C PHE D 153 -2.226 62.612 0.368 1.00 16.73 C +ATOM 650 O PHE D 153 -1.705 61.656 -0.178 1.00 21.58 O +ATOM 651 CB PHE D 153 -4.614 62.608 1.098 1.00 20.83 C +ATOM 652 CG PHE D 153 -4.931 61.848 -0.131 1.00 19.14 C +ATOM 653 CD1 PHE D 153 -5.028 60.455 -0.082 1.00 14.69 C +ATOM 654 CD2 PHE D 153 -5.070 62.504 -1.345 1.00 16.38 C +ATOM 655 CE1 PHE D 153 -5.305 59.727 -1.212 1.00 16.99 C +ATOM 656 CE2 PHE D 153 -5.352 61.781 -2.502 1.00 16.23 C +ATOM 657 CZ PHE D 153 -5.471 60.375 -2.431 1.00 16.40 C +ATOM 658 N LEU D 154 -2.041 63.865 -0.024 1.00 19.14 N +ATOM 659 CA LEU D 154 -1.068 64.222 -1.031 1.00 21.13 C +ATOM 660 C LEU D 154 0.301 63.675 -0.639 1.00 23.64 C +ATOM 661 O LEU D 154 0.911 62.929 -1.404 1.00 22.88 O +ATOM 662 CB LEU D 154 -1.041 65.744 -1.192 1.00 20.86 C +ATOM 663 CG LEU D 154 0.163 66.376 -1.888 1.00 23.07 C +ATOM 664 CD1 LEU D 154 0.190 66.033 -3.374 1.00 25.65 C +ATOM 665 CD2 LEU D 154 0.104 67.879 -1.686 1.00 24.06 C +ATOM 666 N LEU D 155 0.748 63.995 0.577 1.00 24.51 N +ATOM 667 CA LEU D 155 2.063 63.553 1.056 1.00 26.65 C +ATOM 668 C LEU D 155 2.237 62.036 1.080 1.00 27.18 C +ATOM 669 O LEU D 155 3.248 61.530 0.585 1.00 26.82 O +ATOM 670 CB LEU D 155 2.402 64.184 2.415 1.00 24.02 C +ATOM 671 CG LEU D 155 2.668 65.701 2.360 1.00 26.95 C +ATOM 672 CD1 LEU D 155 2.789 66.280 3.764 1.00 23.20 C +ATOM 673 CD2 LEU D 155 3.935 66.046 1.537 1.00 27.63 C +ATOM 674 N ARG D 156 1.249 61.314 1.607 1.00 26.21 N +ATOM 675 CA ARG D 156 1.293 59.852 1.627 1.00 29.89 C +ATOM 676 C ARG D 156 1.379 59.279 0.210 1.00 27.51 C +ATOM 677 O ARG D 156 2.105 58.312 -0.033 1.00 27.05 O +ATOM 678 CB ARG D 156 0.046 59.264 2.302 1.00 35.45 C +ATOM 679 CG ARG D 156 0.035 59.218 3.824 1.00 49.99 C +ATOM 680 CD ARG D 156 -1.162 58.428 4.418 1.00 55.99 C +ATOM 681 NE ARG D 156 -2.370 59.247 4.618 1.00 61.67 N +ATOM 682 CZ ARG D 156 -3.502 59.153 3.898 1.00 62.28 C +ATOM 683 NH1 ARG D 156 -3.623 58.282 2.900 1.00 58.28 N +ATOM 684 NH2 ARG D 156 -4.524 59.946 4.178 1.00 63.14 N +ATOM 685 N SER D 157 0.625 59.869 -0.717 1.00 24.37 N +ATOM 686 CA SER D 157 0.529 59.324 -2.067 1.00 25.25 C +ATOM 687 C SER D 157 1.749 59.687 -2.883 1.00 20.84 C +ATOM 688 O SER D 157 2.338 58.827 -3.517 1.00 21.57 O +ATOM 689 CB SER D 157 -0.723 59.836 -2.810 1.00 26.57 C +ATOM 690 OG SER D 157 -1.863 59.870 -1.981 1.00 28.32 O +ATOM 691 N LYS D 158 2.113 60.966 -2.863 1.00 23.02 N +ATOM 692 CA LYS D 158 3.107 61.497 -3.796 1.00 25.10 C +ATOM 693 C LYS D 158 4.472 61.747 -3.178 1.00 28.33 C +ATOM 694 O LYS D 158 5.442 61.902 -3.913 1.00 23.79 O +ATOM 695 CB LYS D 158 2.596 62.775 -4.473 1.00 26.73 C +ATOM 696 CG LYS D 158 1.394 62.544 -5.389 1.00 35.14 C +ATOM 697 CD LYS D 158 1.798 61.936 -6.731 1.00 38.03 C +ATOM 698 CE LYS D 158 1.569 60.432 -6.745 1.00 42.47 C +ATOM 699 NZ LYS D 158 0.832 59.929 -7.958 1.00 42.54 N +ATOM 700 N GLY D 159 4.534 61.795 -1.843 1.00 26.16 N +ATOM 701 CA GLY D 159 5.786 61.990 -1.129 1.00 28.92 C +ATOM 702 C GLY D 159 6.163 63.438 -0.920 1.00 27.85 C +ATOM 703 O GLY D 159 5.734 64.313 -1.669 1.00 25.15 O +ATOM 704 N ARG D 160 6.982 63.687 0.101 1.00 29.66 N +ATOM 705 CA ARG D 160 7.488 65.027 0.396 1.00 30.01 C +ATOM 706 C ARG D 160 8.349 65.576 -0.739 1.00 29.74 C +ATOM 707 O ARG D 160 8.323 66.783 -1.032 1.00 28.46 O +ATOM 708 CB ARG D 160 8.278 65.011 1.701 1.00 40.13 C +ATOM 709 CG ARG D 160 8.325 66.336 2.431 1.00 54.93 C +ATOM 710 CD ARG D 160 9.214 66.348 3.681 1.00 64.74 C +ATOM 711 NE ARG D 160 9.227 65.063 4.386 1.00 71.02 N +ATOM 712 CZ ARG D 160 10.304 64.292 4.533 1.00 74.84 C +ATOM 713 NH1 ARG D 160 11.476 64.664 4.021 1.00 75.22 N +ATOM 714 NH2 ARG D 160 10.209 63.142 5.191 1.00 75.82 N +ATOM 715 N ASP D 161 9.097 64.698 -1.400 1.00 25.70 N +ATOM 716 CA ASP D 161 9.962 65.164 -2.472 1.00 31.63 C +ATOM 717 C ASP D 161 9.178 65.818 -3.598 1.00 31.34 C +ATOM 718 O ASP D 161 9.541 66.904 -4.068 1.00 29.52 O +ATOM 719 CB ASP D 161 10.830 64.031 -3.007 1.00 40.11 C +ATOM 720 CG ASP D 161 11.986 63.714 -2.092 1.00 46.17 C +ATOM 721 OD1 ASP D 161 12.000 64.223 -0.937 1.00 47.98 O +ATOM 722 OD2 ASP D 161 12.919 62.960 -2.443 1.00 48.28 O +ATOM 723 N PHE D 162 8.107 65.154 -4.026 1.00 27.42 N +ATOM 724 CA PHE D 162 7.274 65.667 -5.109 1.00 26.11 C +ATOM 725 C PHE D 162 6.727 67.032 -4.740 1.00 23.86 C +ATOM 726 O PHE D 162 6.803 67.962 -5.525 1.00 29.55 O +ATOM 727 CB PHE D 162 6.134 64.700 -5.409 1.00 26.97 C +ATOM 728 CG PHE D 162 5.114 65.237 -6.374 1.00 28.05 C +ATOM 729 CD1 PHE D 162 5.353 65.212 -7.752 1.00 25.85 C +ATOM 730 CD2 PHE D 162 3.906 65.759 -5.906 1.00 27.42 C +ATOM 731 CE1 PHE D 162 4.393 65.695 -8.648 1.00 31.70 C +ATOM 732 CE2 PHE D 162 2.939 66.246 -6.795 1.00 25.84 C +ATOM 733 CZ PHE D 162 3.181 66.219 -8.160 1.00 25.81 C +ATOM 734 N VAL D 163 6.194 67.150 -3.532 1.00 23.75 N +ATOM 735 CA VAL D 163 5.576 68.392 -3.080 1.00 28.01 C +ATOM 736 C VAL D 163 6.603 69.519 -2.971 1.00 33.00 C +ATOM 737 O VAL D 163 6.351 70.660 -3.402 1.00 31.86 O +ATOM 738 CB VAL D 163 4.865 68.180 -1.729 1.00 29.12 C +ATOM 739 CG1 VAL D 163 4.243 69.469 -1.231 1.00 29.67 C +ATOM 740 CG2 VAL D 163 3.806 67.088 -1.855 1.00 28.22 C +ATOM 741 N HIS D 164 7.758 69.188 -2.397 1.00 32.58 N +ATOM 742 CA HIS D 164 8.866 70.127 -2.269 1.00 36.53 C +ATOM 743 C HIS D 164 9.297 70.621 -3.644 1.00 34.33 C +ATOM 744 O HIS D 164 9.497 71.816 -3.840 1.00 38.12 O +ATOM 745 CB HIS D 164 10.043 69.467 -1.548 1.00 41.54 C +ATOM 746 CG HIS D 164 11.138 70.417 -1.180 1.00 50.65 C +ATOM 747 ND1 HIS D 164 12.213 70.671 -2.007 1.00 55.13 N +ATOM 748 CD2 HIS D 164 11.328 71.172 -0.071 1.00 54.32 C +ATOM 749 CE1 HIS D 164 13.014 71.546 -1.425 1.00 57.75 C +ATOM 750 NE2 HIS D 164 12.500 71.867 -0.251 1.00 57.66 N +ATOM 751 N SER D 165 9.410 69.703 -4.596 1.00 31.09 N +ATOM 752 CA SER D 165 9.836 70.059 -5.943 1.00 36.04 C +ATOM 753 C SER D 165 8.814 70.976 -6.631 1.00 39.12 C +ATOM 754 O SER D 165 9.190 71.930 -7.313 1.00 41.31 O +ATOM 755 CB SER D 165 10.116 68.802 -6.765 1.00 38.09 C +ATOM 756 OG SER D 165 9.240 68.711 -7.869 1.00 49.46 O +ATOM 757 N VAL D 166 7.527 70.699 -6.425 1.00 35.74 N +ATOM 758 CA VAL D 166 6.460 71.547 -6.953 1.00 33.87 C +ATOM 759 C VAL D 166 6.464 72.921 -6.276 1.00 36.90 C +ATOM 760 O VAL D 166 6.265 73.934 -6.940 1.00 37.45 O +ATOM 761 CB VAL D 166 5.078 70.858 -6.822 1.00 32.25 C +ATOM 762 CG1 VAL D 166 3.931 71.832 -7.109 1.00 26.47 C +ATOM 763 CG2 VAL D 166 5.014 69.658 -7.748 1.00 27.14 C +ATOM 764 N GLN D 167 6.703 72.946 -4.965 1.00 41.34 N +ATOM 765 CA GLN D 167 6.705 74.192 -4.198 1.00 49.39 C +ATOM 766 C GLN D 167 7.837 75.123 -4.617 1.00 58.35 C +ATOM 767 O GLN D 167 7.711 76.345 -4.516 1.00 60.79 O +ATOM 768 CB GLN D 167 6.804 73.917 -2.694 1.00 46.86 C +ATOM 769 CG GLN D 167 5.487 73.552 -2.020 1.00 44.17 C +ATOM 770 CD GLN D 167 4.483 74.692 -2.019 1.00 45.87 C +ATOM 771 OE1 GLN D 167 4.729 75.741 -1.424 1.00 49.56 O +ATOM 772 NE2 GLN D 167 3.348 74.486 -2.680 1.00 43.19 N +ATOM 773 N GLU D 168 8.935 74.540 -5.089 1.00 65.86 N +ATOM 774 CA GLU D 168 10.113 75.308 -5.476 1.00 74.34 C +ATOM 775 C GLU D 168 10.007 75.891 -6.885 1.00 77.69 C +ATOM 776 O GLU D 168 10.599 76.935 -7.172 1.00 80.27 O +ATOM 777 CB GLU D 168 11.381 74.468 -5.330 1.00 77.79 C +ATOM 778 CG GLU D 168 12.237 74.874 -4.142 1.00 81.73 C +ATOM 779 CD GLU D 168 13.540 74.099 -4.050 1.00 85.06 C +ATOM 780 OE1 GLU D 168 13.777 73.197 -4.892 1.00 86.21 O +ATOM 781 OE2 GLU D 168 14.329 74.396 -3.127 1.00 85.21 O +ATOM 782 N THR D 169 9.269 75.214 -7.764 1.00 79.81 N +ATOM 783 CA THR D 169 8.906 75.791 -9.055 1.00 82.28 C +ATOM 784 C THR D 169 7.713 76.724 -8.829 1.00 85.54 C +ATOM 785 O THR D 169 6.632 76.518 -9.383 1.00 86.04 O +ATOM 786 CB THR D 169 8.596 74.692 -10.113 1.00 82.34 C +ATOM 787 OG1 THR D 169 7.442 73.942 -9.718 1.00 84.35 O +ATOM 788 CG2 THR D 169 9.699 73.637 -10.160 1.00 81.77 C +ATOM 789 N HIS D 170 7.945 77.744 -7.996 1.00 90.33 N +ATOM 790 CA HIS D 170 6.930 78.680 -7.481 1.00 95.19 C +ATOM 791 C HIS D 170 5.527 78.560 -8.085 1.00 95.71 C +ATOM 792 O HIS D 170 4.637 77.945 -7.492 1.00 95.73 O +ATOM 793 CB HIS D 170 7.428 80.137 -7.561 1.00 98.85 C +ATOM 794 CG HIS D 170 8.361 80.406 -8.705 1.00101.76 C +ATOM 795 ND1 HIS D 170 7.930 80.513 -10.011 1.00102.38 N +ATOM 796 CD2 HIS D 170 9.703 80.596 -8.736 1.00102.45 C +ATOM 797 CE1 HIS D 170 8.965 80.753 -10.797 1.00102.42 C +ATOM 798 NE2 HIS D 170 10.053 80.808 -10.048 1.00102.47 N Added: SwiftApps/modFTdock/input/1oxn-5.pdb =================================================================== --- SwiftApps/modFTdock/input/1oxn-5.pdb (rev 0) +++ SwiftApps/modFTdock/input/1oxn-5.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,784 @@ +ATOM 1 N GLY E 78 9.986 54.830 14.869 1.00 35.22 N +ATOM 2 CA GLY E 78 11.017 55.805 14.409 1.00 31.46 C +ATOM 3 C GLY E 78 12.138 55.125 13.646 1.00 26.73 C +ATOM 4 O GLY E 78 12.063 53.924 13.347 1.00 29.30 O +ATOM 5 N PRO E 79 13.191 55.881 13.353 1.00 26.68 N +ATOM 6 CA PRO E 79 14.327 55.362 12.584 1.00 24.15 C +ATOM 7 C PRO E 79 15.048 54.240 13.325 1.00 20.38 C +ATOM 8 O PRO E 79 15.119 54.251 14.550 1.00 21.62 O +ATOM 9 CB PRO E 79 15.247 56.579 12.459 1.00 23.56 C +ATOM 10 CG PRO E 79 14.374 57.767 12.729 1.00 25.91 C +ATOM 11 CD PRO E 79 13.384 57.296 13.734 1.00 27.21 C +ATOM 12 N ALA E 80 15.579 53.288 12.577 1.00 20.41 N +ATOM 13 CA ALA E 80 16.461 52.260 13.142 1.00 19.18 C +ATOM 14 C ALA E 80 17.693 52.899 13.761 1.00 21.56 C +ATOM 15 O ALA E 80 18.210 52.424 14.769 1.00 24.32 O +ATOM 16 CB ALA E 80 16.872 51.284 12.057 1.00 15.94 C +ATOM 17 N PHE E 81 18.143 53.999 13.164 1.00 23.01 N +ATOM 18 CA PHE E 81 19.397 54.623 13.555 1.00 21.37 C +ATOM 19 C PHE E 81 19.167 56.120 13.515 1.00 20.77 C +ATOM 20 O PHE E 81 19.520 56.789 12.539 1.00 19.05 O +ATOM 21 CB PHE E 81 20.495 54.183 12.577 1.00 21.51 C +ATOM 22 CG PHE E 81 21.871 54.714 12.880 1.00 22.24 C +ATOM 23 CD1 PHE E 81 22.136 55.473 14.016 1.00 20.38 C +ATOM 24 CD2 PHE E 81 22.914 54.445 12.001 1.00 21.80 C +ATOM 25 CE1 PHE E 81 23.430 55.958 14.269 1.00 19.63 C +ATOM 26 CE2 PHE E 81 24.197 54.919 12.243 1.00 18.67 C +ATOM 27 CZ PHE E 81 24.453 55.678 13.376 1.00 21.70 C +ATOM 28 N PRO E 82 18.553 56.648 14.574 1.00 20.86 N +ATOM 29 CA PRO E 82 18.226 58.070 14.642 1.00 21.71 C +ATOM 30 C PRO E 82 19.432 58.972 14.436 1.00 23.50 C +ATOM 31 O PRO E 82 19.280 60.054 13.861 1.00 26.58 O +ATOM 32 CB PRO E 82 17.671 58.241 16.062 1.00 22.07 C +ATOM 33 CG PRO E 82 17.173 56.908 16.419 1.00 21.06 C +ATOM 34 CD PRO E 82 18.107 55.926 15.781 1.00 19.91 C +ATOM 35 N GLY E 83 20.609 58.527 14.860 1.00 22.71 N +ATOM 36 CA GLY E 83 21.802 59.349 14.758 1.00 21.77 C +ATOM 37 C GLY E 83 22.196 59.683 13.322 1.00 23.03 C +ATOM 38 O GLY E 83 22.981 60.583 13.110 1.00 20.65 O +ATOM 39 N MET E 84 21.660 58.967 12.335 1.00 19.39 N +ATOM 40 CA MET E 84 21.944 59.299 10.948 1.00 17.97 C +ATOM 41 C MET E 84 20.733 59.926 10.264 1.00 20.43 C +ATOM 42 O MET E 84 20.610 59.898 9.038 1.00 21.94 O +ATOM 43 CB MET E 84 22.509 58.093 10.190 1.00 19.52 C +ATOM 44 CG MET E 84 24.032 57.966 10.334 1.00 30.08 C +ATOM 45 SD MET E 84 24.847 59.372 9.516 1.00 34.34 S +ATOM 46 CE MET E 84 26.263 58.715 9.067 1.00 36.75 C +ATOM 47 N GLY E 85 19.847 60.514 11.070 1.00 19.21 N +ATOM 48 CA GLY E 85 18.668 61.179 10.543 1.00 16.53 C +ATOM 49 C GLY E 85 18.983 62.467 9.795 1.00 23.10 C +ATOM 50 O GLY E 85 18.184 62.928 8.991 1.00 21.94 O +ATOM 51 N SER E 86 20.155 63.042 10.045 1.00 18.24 N +ATOM 52 CA SER E 86 20.565 64.259 9.359 1.00 19.35 C +ATOM 53 C SER E 86 21.154 63.938 7.980 1.00 20.09 C +ATOM 54 O SER E 86 22.162 63.222 7.861 1.00 19.99 O +ATOM 55 CB SER E 86 21.583 65.025 10.204 1.00 21.96 C +ATOM 56 OG SER E 86 22.326 65.911 9.396 1.00 27.44 O +ATOM 57 N GLU E 87 20.525 64.476 6.941 1.00 19.69 N +ATOM 58 CA GLU E 87 21.016 64.298 5.578 1.00 22.00 C +ATOM 59 C GLU E 87 22.455 64.794 5.408 1.00 21.24 C +ATOM 60 O GLU E 87 23.257 64.169 4.725 1.00 18.61 O +ATOM 61 CB GLU E 87 20.113 65.001 4.563 1.00 21.18 C +ATOM 62 CG GLU E 87 20.581 64.765 3.130 1.00 27.35 C +ATOM 63 CD GLU E 87 19.672 65.372 2.107 1.00 33.33 C +ATOM 64 OE1 GLU E 87 18.573 65.818 2.489 1.00 35.26 O +ATOM 65 OE2 GLU E 87 20.063 65.404 0.924 1.00 39.30 O +ATOM 66 N GLU E 88 22.754 65.925 6.033 1.00 25.06 N +ATOM 67 CA GLU E 88 24.083 66.518 6.023 1.00 28.88 C +ATOM 68 C GLU E 88 25.101 65.515 6.546 1.00 23.90 C +ATOM 69 O GLU E 88 26.132 65.261 5.914 1.00 25.82 O +ATOM 70 CB GLU E 88 24.077 67.781 6.895 1.00 35.71 C +ATOM 71 CG GLU E 88 25.054 68.855 6.447 1.00 51.07 C +ATOM 72 CD GLU E 88 25.261 69.932 7.501 1.00 58.46 C +ATOM 73 OE1 GLU E 88 24.267 70.609 7.867 1.00 62.15 O +ATOM 74 OE2 GLU E 88 26.419 70.109 7.955 1.00 58.60 O +ATOM 75 N LEU E 89 24.793 64.929 7.698 1.00 19.44 N +ATOM 76 CA LEU E 89 25.657 63.938 8.303 1.00 20.60 C +ATOM 77 C LEU E 89 25.773 62.703 7.404 1.00 18.32 C +ATOM 78 O LEU E 89 26.842 62.154 7.243 1.00 20.30 O +ATOM 79 CB LEU E 89 25.143 63.546 9.685 1.00 25.40 C +ATOM 80 CG LEU E 89 26.039 63.642 10.924 1.00 36.96 C +ATOM 81 CD1 LEU E 89 25.708 62.487 11.902 1.00 33.07 C +ATOM 82 CD2 LEU E 89 27.550 63.694 10.606 1.00 34.92 C +ATOM 83 N ARG E 90 24.676 62.280 6.795 1.00 17.56 N +ATOM 84 CA ARG E 90 24.752 61.141 5.886 1.00 17.15 C +ATOM 85 C ARG E 90 25.647 61.464 4.690 1.00 19.19 C +ATOM 86 O ARG E 90 26.379 60.611 4.213 1.00 20.45 O +ATOM 87 CB ARG E 90 23.369 60.746 5.407 1.00 14.68 C +ATOM 88 CG ARG E 90 22.482 60.129 6.471 1.00 18.18 C +ATOM 89 CD ARG E 90 21.304 59.350 5.889 1.00 17.06 C +ATOM 90 NE ARG E 90 20.437 60.185 5.042 1.00 17.85 N +ATOM 91 CZ ARG E 90 19.475 60.988 5.504 1.00 16.01 C +ATOM 92 NH1 ARG E 90 19.255 61.084 6.803 1.00 16.75 N +ATOM 93 NH2 ARG E 90 18.723 61.695 4.666 1.00 16.25 N +ATOM 94 N LEU E 91 25.574 62.699 4.201 1.00 20.18 N +ATOM 95 CA LEU E 91 26.416 63.112 3.093 1.00 19.69 C +ATOM 96 C LEU E 91 27.882 63.098 3.526 1.00 16.74 C +ATOM 97 O LEU E 91 28.751 62.648 2.782 1.00 16.50 O +ATOM 98 CB LEU E 91 26.028 64.511 2.626 1.00 21.26 C +ATOM 99 CG LEU E 91 26.095 64.894 1.136 1.00 24.75 C +ATOM 100 CD1 LEU E 91 26.515 66.369 0.979 1.00 21.36 C +ATOM 101 CD2 LEU E 91 26.940 63.969 0.277 1.00 20.77 C +ATOM 102 N ALA E 92 28.135 63.599 4.729 1.00 13.48 N +ATOM 103 CA ALA E 92 29.483 63.672 5.280 1.00 16.68 C +ATOM 104 C ALA E 92 30.105 62.287 5.331 1.00 20.65 C +ATOM 105 O ALA E 92 31.310 62.139 5.138 1.00 23.32 O +ATOM 106 CB ALA E 92 29.461 64.292 6.657 1.00 14.05 C +ATOM 107 N SER E 93 29.270 61.275 5.550 1.00 17.39 N +ATOM 108 CA SER E 93 29.747 59.900 5.661 1.00 18.99 C +ATOM 109 C SER E 93 30.368 59.409 4.365 1.00 15.39 C +ATOM 110 O SER E 93 31.061 58.395 4.359 1.00 22.96 O +ATOM 111 CB SER E 93 28.622 58.953 6.113 1.00 16.36 C +ATOM 112 OG SER E 93 27.753 58.619 5.027 1.00 16.73 O +ATOM 113 N PHE E 94 30.116 60.122 3.269 1.00 15.61 N +ATOM 114 CA PHE E 94 30.614 59.692 1.965 1.00 16.93 C +ATOM 115 C PHE E 94 31.974 60.289 1.622 1.00 19.07 C +ATOM 116 O PHE E 94 32.398 60.228 0.471 1.00 18.79 O +ATOM 117 CB PHE E 94 29.593 59.992 0.848 1.00 16.85 C +ATOM 118 CG PHE E 94 28.372 59.100 0.881 1.00 17.33 C +ATOM 119 CD1 PHE E 94 28.364 57.884 0.206 1.00 17.91 C +ATOM 120 CD2 PHE E 94 27.230 59.491 1.567 1.00 16.19 C +ATOM 121 CE1 PHE E 94 27.244 57.058 0.228 1.00 20.75 C +ATOM 122 CE2 PHE E 94 26.100 58.677 1.597 1.00 16.31 C +ATOM 123 CZ PHE E 94 26.112 57.448 0.938 1.00 16.57 C +ATOM 124 N TYR E 95 32.659 60.854 2.617 1.00 15.63 N +ATOM 125 CA TYR E 95 33.951 61.489 2.383 1.00 21.85 C +ATOM 126 C TYR E 95 34.999 60.561 1.711 1.00 24.22 C +ATOM 127 O TYR E 95 35.896 61.047 1.037 1.00 27.19 O +ATOM 128 CB TYR E 95 34.492 62.082 3.689 1.00 20.41 C +ATOM 129 CG TYR E 95 34.902 61.039 4.685 1.00 21.49 C +ATOM 130 CD1 TYR E 95 36.180 60.504 4.669 1.00 20.51 C +ATOM 131 CD2 TYR E 95 34.001 60.566 5.633 1.00 27.14 C +ATOM 132 CE1 TYR E 95 36.564 59.528 5.580 1.00 22.19 C +ATOM 133 CE2 TYR E 95 34.367 59.587 6.542 1.00 30.87 C +ATOM 134 CZ TYR E 95 35.651 59.071 6.511 1.00 29.67 C +ATOM 135 OH TYR E 95 36.015 58.106 7.425 1.00 35.34 O +ATOM 136 N ASP E 96 34.875 59.248 1.914 1.00 23.46 N +ATOM 137 CA ASP E 96 35.728 58.246 1.271 1.00 26.61 C +ATOM 138 C ASP E 96 34.930 57.304 0.359 1.00 24.84 C +ATOM 139 O ASP E 96 35.313 56.148 0.153 1.00 24.43 O +ATOM 140 CB ASP E 96 36.474 57.413 2.322 1.00 32.16 C +ATOM 141 CG ASP E 96 37.849 57.986 2.684 1.00 45.74 C +ATOM 142 OD1 ASP E 96 38.314 58.949 2.027 1.00 45.92 O +ATOM 143 OD2 ASP E 96 38.544 57.525 3.627 1.00 51.74 O +ATOM 144 N TRP E 97 33.807 57.783 -0.157 1.00 22.04 N +ATOM 145 CA TRP E 97 33.051 57.039 -1.165 1.00 22.23 C +ATOM 146 C TRP E 97 33.962 56.766 -2.361 1.00 26.90 C +ATOM 147 O TRP E 97 34.583 57.691 -2.895 1.00 28.43 O +ATOM 148 CB TRP E 97 31.865 57.871 -1.613 1.00 18.30 C +ATOM 149 CG TRP E 97 30.877 57.228 -2.542 1.00 17.68 C +ATOM 150 CD1 TRP E 97 30.519 57.674 -3.789 1.00 16.23 C +ATOM 151 CD2 TRP E 97 30.082 56.061 -2.294 1.00 16.42 C +ATOM 152 NE1 TRP E 97 29.552 56.857 -4.326 1.00 16.45 N +ATOM 153 CE2 TRP E 97 29.261 55.862 -3.429 1.00 15.75 C +ATOM 154 CE3 TRP E 97 29.969 55.164 -1.224 1.00 13.44 C +ATOM 155 CZ2 TRP E 97 28.365 54.800 -3.530 1.00 16.60 C +ATOM 156 CZ3 TRP E 97 29.068 54.114 -1.325 1.00 18.88 C +ATOM 157 CH2 TRP E 97 28.279 53.941 -2.469 1.00 17.14 C +ATOM 158 N PRO E 98 34.049 55.501 -2.774 1.00 28.90 N +ATOM 159 CA PRO E 98 34.916 55.127 -3.895 1.00 29.79 C +ATOM 160 C PRO E 98 34.425 55.757 -5.197 1.00 31.47 C +ATOM 161 O PRO E 98 33.223 55.739 -5.501 1.00 30.03 O +ATOM 162 CB PRO E 98 34.835 53.594 -3.922 1.00 26.09 C +ATOM 163 CG PRO E 98 33.587 53.257 -3.184 1.00 27.00 C +ATOM 164 CD PRO E 98 33.341 54.342 -2.202 1.00 25.07 C +ATOM 165 N LEU E 99 35.362 56.336 -5.942 1.00 33.80 N +ATOM 166 CA LEU E 99 35.058 56.952 -7.229 1.00 35.25 C +ATOM 167 C LEU E 99 34.507 55.941 -8.224 1.00 32.41 C +ATOM 168 O LEU E 99 33.700 56.292 -9.087 1.00 31.89 O +ATOM 169 CB LEU E 99 36.288 57.670 -7.805 1.00 40.96 C +ATOM 170 CG LEU E 99 36.456 59.185 -7.565 1.00 42.47 C +ATOM 171 CD1 LEU E 99 35.200 59.854 -7.016 1.00 41.95 C +ATOM 172 CD2 LEU E 99 37.625 59.444 -6.628 1.00 42.56 C +ATOM 173 N THR E 100 34.899 54.680 -8.070 1.00 31.70 N +ATOM 174 CA THR E 100 34.435 53.625 -8.973 1.00 30.23 C +ATOM 175 C THR E 100 32.942 53.339 -8.862 1.00 29.64 C +ATOM 176 O THR E 100 32.355 52.748 -9.775 1.00 28.65 O +ATOM 177 CB THR E 100 35.229 52.328 -8.754 1.00 29.80 C +ATOM 178 OG1 THR E 100 35.246 52.015 -7.361 1.00 28.91 O +ATOM 179 CG2 THR E 100 36.715 52.526 -9.113 1.00 32.82 C +ATOM 180 N ALA E 101 32.324 53.753 -7.756 1.00 31.64 N +ATOM 181 CA ALA E 101 30.894 53.487 -7.528 1.00 30.41 C +ATOM 182 C ALA E 101 30.014 54.176 -8.561 1.00 30.51 C +ATOM 183 O ALA E 101 29.063 53.581 -9.080 1.00 36.22 O +ATOM 184 CB ALA E 101 30.492 53.892 -6.131 1.00 31.50 C +ATOM 185 N GLU E 102 30.349 55.425 -8.858 1.00 26.24 N +ATOM 186 CA GLU E 102 29.695 56.207 -9.911 1.00 31.18 C +ATOM 187 C GLU E 102 28.223 56.518 -9.633 1.00 28.87 C +ATOM 188 O GLU E 102 27.433 56.709 -10.556 1.00 29.09 O +ATOM 189 CB GLU E 102 29.875 55.545 -11.284 1.00 35.91 C +ATOM 190 CG GLU E 102 30.775 56.331 -12.216 1.00 43.14 C +ATOM 191 CD GLU E 102 31.708 55.447 -13.021 1.00 44.86 C +ATOM 192 OE1 GLU E 102 31.218 54.544 -13.740 1.00 33.74 O +ATOM 193 OE2 GLU E 102 32.936 55.661 -12.921 1.00 50.15 O +ATOM 194 N VAL E 103 27.865 56.544 -8.354 1.00 25.14 N +ATOM 195 CA VAL E 103 26.555 56.991 -7.918 1.00 23.09 C +ATOM 196 C VAL E 103 26.828 58.156 -6.987 1.00 20.08 C +ATOM 197 O VAL E 103 27.622 58.023 -6.051 1.00 21.62 O +ATOM 198 CB VAL E 103 25.761 55.893 -7.166 1.00 23.11 C +ATOM 199 CG1 VAL E 103 24.436 56.434 -6.675 1.00 20.68 C +ATOM 200 CG2 VAL E 103 25.521 54.677 -8.057 1.00 21.88 C +ATOM 201 N PRO E 104 26.189 59.291 -7.264 1.00 18.24 N +ATOM 202 CA PRO E 104 26.387 60.508 -6.476 1.00 18.83 C +ATOM 203 C PRO E 104 26.009 60.304 -5.008 1.00 19.17 C +ATOM 204 O PRO E 104 24.892 59.891 -4.706 1.00 23.76 O +ATOM 205 CB PRO E 104 25.425 61.523 -7.129 1.00 16.01 C +ATOM 206 CG PRO E 104 25.095 60.962 -8.485 1.00 18.61 C +ATOM 207 CD PRO E 104 25.225 59.482 -8.371 1.00 16.02 C +ATOM 208 N PRO E 105 26.955 60.574 -4.120 1.00 18.64 N +ATOM 209 CA PRO E 105 26.704 60.631 -2.683 1.00 16.95 C +ATOM 210 C PRO E 105 25.505 61.504 -2.313 1.00 18.91 C +ATOM 211 O PRO E 105 24.732 61.127 -1.453 1.00 17.09 O +ATOM 212 CB PRO E 105 27.985 61.272 -2.157 1.00 16.22 C +ATOM 213 CG PRO E 105 29.027 60.757 -3.083 1.00 15.85 C +ATOM 214 CD PRO E 105 28.382 60.826 -4.434 1.00 19.51 C +ATOM 215 N GLU E 106 25.382 62.664 -2.940 1.00 14.62 N +ATOM 216 CA GLU E 106 24.297 63.569 -2.640 1.00 19.46 C +ATOM 217 C GLU E 106 22.953 62.875 -2.825 1.00 21.54 C +ATOM 218 O GLU E 106 22.071 63.036 -1.992 1.00 20.30 O +ATOM 219 CB GLU E 106 24.397 64.843 -3.475 1.00 21.67 C +ATOM 220 CG GLU E 106 25.423 65.832 -2.924 1.00 24.48 C +ATOM 221 CD GLU E 106 25.827 66.922 -3.917 1.00 32.31 C +ATOM 222 OE1 GLU E 106 25.005 67.293 -4.781 1.00 35.74 O +ATOM 223 OE2 GLU E 106 26.967 67.439 -3.819 1.00 30.96 O +ATOM 224 N LEU E 107 22.834 62.071 -3.878 1.00 18.46 N +ATOM 225 CA LEU E 107 21.623 61.297 -4.150 1.00 21.70 C +ATOM 226 C LEU E 107 21.441 60.185 -3.130 1.00 24.58 C +ATOM 227 O LEU E 107 20.327 59.943 -2.646 1.00 21.90 O +ATOM 228 CB LEU E 107 21.690 60.703 -5.553 1.00 21.06 C +ATOM 229 CG LEU E 107 20.801 61.258 -6.673 1.00 27.05 C +ATOM 230 CD1 LEU E 107 20.486 62.747 -6.545 1.00 24.83 C +ATOM 231 CD2 LEU E 107 21.363 60.917 -8.038 1.00 22.84 C +ATOM 232 N LEU E 108 22.542 59.516 -2.790 1.00 20.78 N +ATOM 233 CA LEU E 108 22.486 58.438 -1.821 1.00 20.18 C +ATOM 234 C LEU E 108 22.054 58.950 -0.452 1.00 19.87 C +ATOM 235 O LEU E 108 21.197 58.347 0.197 1.00 20.11 O +ATOM 236 CB LEU E 108 23.829 57.730 -1.727 1.00 19.64 C +ATOM 237 CG LEU E 108 24.117 56.797 -2.899 1.00 18.24 C +ATOM 238 CD1 LEU E 108 25.607 56.593 -3.017 1.00 18.84 C +ATOM 239 CD2 LEU E 108 23.416 55.473 -2.713 1.00 13.79 C +ATOM 240 N ALA E 109 22.628 60.071 -0.028 1.00 18.81 N +ATOM 241 CA ALA E 109 22.319 60.641 1.283 1.00 17.98 C +ATOM 242 C ALA E 109 20.880 61.164 1.350 1.00 20.30 C +ATOM 243 O ALA E 109 20.168 60.941 2.343 1.00 21.16 O +ATOM 244 CB ALA E 109 23.329 61.736 1.646 1.00 14.82 C +ATOM 245 N ALA E 110 20.447 61.844 0.290 1.00 20.38 N +ATOM 246 CA ALA E 110 19.054 62.272 0.178 1.00 21.68 C +ATOM 247 C ALA E 110 18.077 61.091 0.255 1.00 21.53 C +ATOM 248 O ALA E 110 16.995 61.238 0.795 1.00 21.78 O +ATOM 249 CB ALA E 110 18.835 63.059 -1.114 1.00 18.96 C +ATOM 250 N ALA E 111 18.470 59.935 -0.286 1.00 17.28 N +ATOM 251 CA ALA E 111 17.628 58.734 -0.288 1.00 19.67 C +ATOM 252 C ALA E 111 17.709 57.936 1.023 1.00 20.43 C +ATOM 253 O ALA E 111 17.193 56.822 1.114 1.00 16.60 O +ATOM 254 CB ALA E 111 17.972 57.832 -1.480 1.00 15.65 C +ATOM 255 N GLY E 112 18.350 58.517 2.031 1.00 16.66 N +ATOM 256 CA GLY E 112 18.346 57.953 3.370 1.00 18.58 C +ATOM 257 C GLY E 112 19.610 57.179 3.685 1.00 21.47 C +ATOM 258 O GLY E 112 19.769 56.666 4.798 1.00 20.05 O +ATOM 259 N PHE E 113 20.519 57.101 2.716 1.00 18.18 N +ATOM 260 CA PHE E 113 21.675 56.219 2.867 1.00 16.59 C +ATOM 261 C PHE E 113 22.897 56.924 3.409 1.00 19.24 C +ATOM 262 O PHE E 113 23.223 58.032 2.985 1.00 18.43 O +ATOM 263 CB PHE E 113 22.038 55.574 1.537 1.00 12.55 C +ATOM 264 CG PHE E 113 20.981 54.669 1.004 1.00 15.74 C +ATOM 265 CD1 PHE E 113 20.726 53.441 1.604 1.00 13.87 C +ATOM 266 CD2 PHE E 113 20.240 55.041 -0.101 1.00 17.36 C +ATOM 267 CE1 PHE E 113 19.737 52.604 1.094 1.00 15.33 C +ATOM 268 CE2 PHE E 113 19.247 54.201 -0.612 1.00 21.51 C +ATOM 269 CZ PHE E 113 19.007 52.983 -0.002 1.00 16.42 C +ATOM 270 N PHE E 114 23.602 56.254 4.311 1.00 19.71 N +ATOM 271 CA PHE E 114 24.935 56.691 4.681 1.00 17.77 C +ATOM 272 C PHE E 114 25.942 55.619 4.307 1.00 19.47 C +ATOM 273 O PHE E 114 25.601 54.447 4.158 1.00 21.48 O +ATOM 274 CB PHE E 114 25.029 57.023 6.177 1.00 20.23 C +ATOM 275 CG PHE E 114 24.754 55.856 7.073 1.00 21.40 C +ATOM 276 CD1 PHE E 114 25.791 55.017 7.479 1.00 20.52 C +ATOM 277 CD2 PHE E 114 23.453 55.587 7.509 1.00 20.19 C +ATOM 278 CE1 PHE E 114 25.534 53.904 8.305 1.00 21.35 C +ATOM 279 CE2 PHE E 114 23.187 54.483 8.338 1.00 20.26 C +ATOM 280 CZ PHE E 114 24.229 53.642 8.730 1.00 20.55 C +ATOM 281 N HIS E 115 27.192 56.034 4.166 1.00 15.86 N +ATOM 282 CA HIS E 115 28.261 55.124 3.804 1.00 20.45 C +ATOM 283 C HIS E 115 28.728 54.356 5.040 1.00 16.42 C +ATOM 284 O HIS E 115 29.008 54.954 6.073 1.00 19.04 O +ATOM 285 CB HIS E 115 29.413 55.919 3.192 1.00 18.72 C +ATOM 286 CG HIS E 115 30.485 55.071 2.600 1.00 19.60 C +ATOM 287 ND1 HIS E 115 31.760 55.541 2.376 1.00 18.56 N +ATOM 288 CD2 HIS E 115 30.470 53.790 2.160 1.00 16.48 C +ATOM 289 CE1 HIS E 115 32.488 54.583 1.832 1.00 20.64 C +ATOM 290 NE2 HIS E 115 31.723 53.515 1.677 1.00 18.90 N +ATOM 291 N THR E 116 28.796 53.035 4.946 1.00 19.53 N +ATOM 292 CA THR E 116 29.309 52.242 6.078 1.00 29.43 C +ATOM 293 C THR E 116 30.818 52.424 6.261 1.00 34.72 C +ATOM 294 O THR E 116 31.344 52.248 7.365 1.00 38.53 O +ATOM 295 CB THR E 116 29.025 50.773 5.885 1.00 28.92 C +ATOM 296 OG1 THR E 116 29.697 50.328 4.690 1.00 29.21 O +ATOM 297 CG2 THR E 116 27.522 50.531 5.639 1.00 28.01 C +ATOM 298 N GLY E 117 31.499 52.796 5.180 1.00 38.46 N +ATOM 299 CA GLY E 117 32.943 52.947 5.182 1.00 41.28 C +ATOM 300 C GLY E 117 33.601 51.776 4.487 1.00 43.60 C +ATOM 301 O GLY E 117 34.704 51.900 3.958 1.00 47.53 O +ATOM 302 N HIS E 118 32.925 50.633 4.494 1.00 45.35 N +ATOM 303 CA HIS E 118 33.427 49.450 3.809 1.00 49.38 C +ATOM 304 C HIS E 118 32.927 49.395 2.368 1.00 43.75 C +ATOM 305 O HIS E 118 31.715 49.364 2.118 1.00 36.83 O +ATOM 306 CB HIS E 118 33.067 48.178 4.585 1.00 59.87 C +ATOM 307 CG HIS E 118 33.716 48.097 5.936 1.00 68.59 C +ATOM 308 ND1 HIS E 118 34.868 48.788 6.253 1.00 71.37 N +ATOM 309 CD2 HIS E 118 33.370 47.412 7.053 1.00 69.89 C +ATOM 310 CE1 HIS E 118 35.201 48.535 7.507 1.00 71.77 C +ATOM 311 NE2 HIS E 118 34.310 47.701 8.014 1.00 71.75 N +ATOM 312 N GLN E 119 33.879 49.419 1.431 1.00 40.09 N +ATOM 313 CA GLN E 119 33.598 49.338 -0.002 1.00 37.75 C +ATOM 314 C GLN E 119 32.597 50.415 -0.413 1.00 33.13 C +ATOM 315 O GLN E 119 32.749 51.586 -0.055 1.00 29.80 O +ATOM 316 CB GLN E 119 33.081 47.937 -0.372 1.00 45.09 C +ATOM 317 CG GLN E 119 34.163 46.861 -0.475 1.00 54.23 C +ATOM 318 CD GLN E 119 34.503 46.237 0.867 1.00 59.86 C +ATOM 319 OE1 GLN E 119 33.717 45.457 1.416 1.00 62.91 O +ATOM 320 NE2 GLN E 119 35.674 46.578 1.398 1.00 60.20 N +ATOM 321 N ASP E 120 31.555 50.009 -1.132 1.00 29.42 N +ATOM 322 CA ASP E 120 30.499 50.924 -1.517 1.00 27.76 C +ATOM 323 C ASP E 120 29.190 50.558 -0.817 1.00 26.80 C +ATOM 324 O ASP E 120 28.096 50.793 -1.343 1.00 28.71 O +ATOM 325 CB ASP E 120 30.342 50.935 -3.044 1.00 25.30 C +ATOM 326 CG ASP E 120 29.785 49.643 -3.585 1.00 27.84 C +ATOM 327 OD1 ASP E 120 29.801 48.604 -2.872 1.00 29.36 O +ATOM 328 OD2 ASP E 120 29.293 49.581 -4.727 1.00 28.56 O +ATOM 329 N LYS E 121 29.314 49.970 0.367 1.00 23.34 N +ATOM 330 CA LYS E 121 28.159 49.579 1.153 1.00 25.65 C +ATOM 331 C LYS E 121 27.549 50.798 1.829 1.00 23.03 C +ATOM 332 O LYS E 121 28.230 51.557 2.527 1.00 24.14 O +ATOM 333 CB LYS E 121 28.532 48.529 2.200 1.00 32.74 C +ATOM 334 CG LYS E 121 27.404 47.534 2.508 1.00 42.78 C +ATOM 335 CD LYS E 121 27.387 47.107 3.975 1.00 48.40 C +ATOM 336 CE LYS E 121 27.769 45.646 4.144 1.00 52.72 C +ATOM 337 NZ LYS E 121 28.141 45.316 5.556 1.00 55.51 N +ATOM 338 N VAL E 122 26.262 51.000 1.589 1.00 18.89 N +ATOM 339 CA VAL E 122 25.530 52.053 2.263 1.00 21.48 C +ATOM 340 C VAL E 122 24.390 51.451 3.045 1.00 23.05 C +ATOM 341 O VAL E 122 24.011 50.290 2.847 1.00 22.91 O +ATOM 342 CB VAL E 122 24.976 53.115 1.292 1.00 21.05 C +ATOM 343 CG1 VAL E 122 26.091 53.709 0.468 1.00 16.34 C +ATOM 344 CG2 VAL E 122 23.883 52.535 0.421 1.00 20.73 C +ATOM 345 N ARG E 123 23.828 52.255 3.931 1.00 19.69 N +ATOM 346 CA ARG E 123 22.751 51.769 4.756 1.00 17.66 C +ATOM 347 C ARG E 123 21.777 52.895 5.011 1.00 16.40 C +ATOM 348 O ARG E 123 22.177 54.022 5.261 1.00 14.82 O +ATOM 349 CB ARG E 123 23.296 51.223 6.074 1.00 16.05 C +ATOM 350 CG ARG E 123 22.268 50.454 6.874 1.00 22.42 C +ATOM 351 CD ARG E 123 22.788 49.902 8.203 1.00 22.85 C +ATOM 352 NE ARG E 123 23.923 48.990 8.044 1.00 23.76 N +ATOM 353 CZ ARG E 123 23.850 47.757 7.544 1.00 27.76 C +ATOM 354 NH1 ARG E 123 22.683 47.256 7.130 1.00 25.98 N +ATOM 355 NH2 ARG E 123 24.956 47.019 7.452 1.00 26.60 N +ATOM 356 N CYS E 124 20.493 52.577 4.936 1.00 16.57 N +ATOM 357 CA CYS E 124 19.475 53.544 5.221 1.00 15.49 C +ATOM 358 C CYS E 124 19.383 53.749 6.720 1.00 17.47 C +ATOM 359 O CYS E 124 19.313 52.785 7.465 1.00 16.07 O +ATOM 360 CB CYS E 124 18.121 53.070 4.680 1.00 13.50 C +ATOM 361 SG CYS E 124 16.853 54.241 5.179 1.00 19.98 S +ATOM 362 N PHE E 125 19.391 55.002 7.158 1.00 15.10 N +ATOM 363 CA PHE E 125 19.270 55.319 8.579 1.00 17.40 C +ATOM 364 C PHE E 125 17.926 54.869 9.157 1.00 19.58 C +ATOM 365 O PHE E 125 17.824 54.586 10.355 1.00 17.80 O +ATOM 366 CB PHE E 125 19.442 56.826 8.826 1.00 14.19 C +ATOM 367 CG PHE E 125 18.173 57.632 8.656 1.00 18.18 C +ATOM 368 CD1 PHE E 125 17.792 58.088 7.408 1.00 19.39 C +ATOM 369 CD2 PHE E 125 17.379 57.953 9.752 1.00 16.78 C +ATOM 370 CE1 PHE E 125 16.629 58.846 7.240 1.00 19.32 C +ATOM 371 CE2 PHE E 125 16.225 58.705 9.603 1.00 18.60 C +ATOM 372 CZ PHE E 125 15.839 59.155 8.334 1.00 17.60 C +ATOM 373 N PHE E 126 16.898 54.825 8.314 1.00 19.86 N +ATOM 374 CA PHE E 126 15.561 54.578 8.820 1.00 17.78 C +ATOM 375 C PHE E 126 15.263 53.094 8.915 1.00 16.99 C +ATOM 376 O PHE E 126 14.927 52.611 9.988 1.00 18.31 O +ATOM 377 CB PHE E 126 14.472 55.347 8.063 1.00 18.54 C +ATOM 378 CG PHE E 126 13.171 55.429 8.829 1.00 19.26 C +ATOM 379 CD1 PHE E 126 12.300 54.342 8.858 1.00 19.71 C +ATOM 380 CD2 PHE E 126 12.851 56.563 9.569 1.00 19.30 C +ATOM 381 CE1 PHE E 126 11.121 54.384 9.616 1.00 19.54 C +ATOM 382 CE2 PHE E 126 11.663 56.622 10.320 1.00 21.86 C +ATOM 383 CZ PHE E 126 10.806 55.508 10.339 1.00 22.41 C +ATOM 384 N CYS E 127 15.423 52.373 7.810 1.00 17.23 N +ATOM 385 CA CYS E 127 15.082 50.956 7.780 1.00 21.84 C +ATOM 386 C CYS E 127 16.297 50.070 8.024 1.00 22.24 C +ATOM 387 O CYS E 127 16.154 48.857 8.188 1.00 22.70 O +ATOM 388 CB CYS E 127 14.408 50.586 6.456 1.00 19.98 C +ATOM 389 SG CYS E 127 15.487 50.665 4.994 1.00 21.68 S +ATOM 390 N TYR E 128 17.485 50.680 8.029 1.00 19.73 N +ATOM 391 CA TYR E 128 18.750 49.961 8.247 1.00 21.60 C +ATOM 392 C TYR E 128 19.065 48.975 7.119 1.00 18.96 C +ATOM 393 O TYR E 128 19.966 48.145 7.244 1.00 20.48 O +ATOM 394 CB TYR E 128 18.770 49.271 9.622 1.00 21.77 C +ATOM 395 CG TYR E 128 20.087 49.378 10.373 1.00 22.02 C +ATOM 396 CD1 TYR E 128 20.560 50.610 10.841 1.00 24.24 C +ATOM 397 CD2 TYR E 128 20.851 48.245 10.628 1.00 20.95 C +ATOM 398 CE1 TYR E 128 21.769 50.704 11.534 1.00 23.72 C +ATOM 399 CE2 TYR E 128 22.066 48.331 11.316 1.00 19.26 C +ATOM 400 CZ TYR E 128 22.513 49.549 11.768 1.00 21.57 C +ATOM 401 OH TYR E 128 23.698 49.613 12.453 1.00 21.91 O +ATOM 402 N GLY E 129 18.345 49.096 6.002 1.00 20.15 N +ATOM 403 CA GLY E 129 18.647 48.316 4.813 1.00 18.61 C +ATOM 404 C GLY E 129 20.007 48.681 4.204 1.00 20.93 C +ATOM 405 O GLY E 129 20.334 49.860 4.004 1.00 20.63 O +ATOM 406 N GLY E 130 20.797 47.658 3.927 1.00 21.29 N +ATOM 407 CA GLY E 130 22.132 47.812 3.382 1.00 19.94 C +ATOM 408 C GLY E 130 22.107 47.511 1.895 1.00 24.31 C +ATOM 409 O GLY E 130 21.434 46.579 1.450 1.00 23.77 O +ATOM 410 N LEU E 131 22.834 48.319 1.128 1.00 22.97 N +ATOM 411 CA LEU E 131 22.978 48.130 -0.309 1.00 23.62 C +ATOM 412 C LEU E 131 24.424 48.390 -0.707 1.00 27.38 C +ATOM 413 O LEU E 131 25.102 49.264 -0.144 1.00 26.12 O +ATOM 414 CB LEU E 131 22.045 49.070 -1.094 1.00 25.66 C +ATOM 415 CG LEU E 131 20.520 48.902 -0.978 1.00 27.59 C +ATOM 416 CD1 LEU E 131 19.801 50.106 -1.561 1.00 22.52 C +ATOM 417 CD2 LEU E 131 20.038 47.623 -1.651 1.00 26.54 C +ATOM 418 N GLN E 132 24.891 47.607 -1.669 1.00 29.50 N +ATOM 419 CA GLN E 132 26.265 47.667 -2.137 1.00 31.60 C +ATOM 420 C GLN E 132 26.271 47.337 -3.619 1.00 29.45 C +ATOM 421 O GLN E 132 25.208 47.082 -4.186 1.00 27.47 O +ATOM 422 CB GLN E 132 27.140 46.690 -1.343 1.00 35.84 C +ATOM 423 CG GLN E 132 26.931 45.223 -1.681 1.00 43.68 C +ATOM 424 CD GLN E 132 27.622 44.298 -0.695 1.00 50.85 C +ATOM 425 OE1 GLN E 132 26.972 43.464 -0.070 1.00 55.41 O +ATOM 426 NE2 GLN E 132 28.937 44.438 -0.560 1.00 52.20 N +ATOM 427 N SER E 133 27.460 47.339 -4.234 1.00 30.93 N +ATOM 428 CA SER E 133 27.626 47.070 -5.674 1.00 30.91 C +ATOM 429 C SER E 133 26.860 48.075 -6.516 1.00 29.01 C +ATOM 430 O SER E 133 26.083 47.718 -7.403 1.00 28.93 O +ATOM 431 CB SER E 133 27.228 45.635 -6.030 1.00 34.37 C +ATOM 432 OG SER E 133 27.670 44.740 -5.027 1.00 38.61 O +ATOM 433 N TRP E 134 27.086 49.346 -6.216 1.00 27.94 N +ATOM 434 CA TRP E 134 26.441 50.421 -6.937 1.00 28.22 C +ATOM 435 C TRP E 134 27.080 50.579 -8.302 1.00 30.59 C +ATOM 436 O TRP E 134 28.296 50.471 -8.444 1.00 30.48 O +ATOM 437 CB TRP E 134 26.537 51.711 -6.128 1.00 23.34 C +ATOM 438 CG TRP E 134 25.710 51.627 -4.898 1.00 21.88 C +ATOM 439 CD1 TRP E 134 26.084 51.103 -3.689 1.00 21.50 C +ATOM 440 CD2 TRP E 134 24.350 52.043 -4.749 1.00 21.93 C +ATOM 441 NE1 TRP E 134 25.043 51.183 -2.796 1.00 20.40 N +ATOM 442 CE2 TRP E 134 23.965 51.756 -3.420 1.00 21.32 C +ATOM 443 CE3 TRP E 134 23.408 52.631 -5.606 1.00 23.88 C +ATOM 444 CZ2 TRP E 134 22.688 52.039 -2.931 1.00 20.01 C +ATOM 445 CZ3 TRP E 134 22.147 52.909 -5.122 1.00 21.87 C +ATOM 446 CH2 TRP E 134 21.795 52.614 -3.791 1.00 19.89 C +ATOM 447 N LYS E 135 26.245 50.806 -9.307 1.00 33.09 N +ATOM 448 CA LYS E 135 26.708 50.978 -10.675 1.00 35.64 C +ATOM 449 C LYS E 135 26.163 52.289 -11.201 1.00 33.15 C +ATOM 450 O LYS E 135 25.076 52.721 -10.803 1.00 28.88 O +ATOM 451 CB LYS E 135 26.206 49.831 -11.552 1.00 41.23 C +ATOM 452 CG LYS E 135 26.874 48.491 -11.280 1.00 49.61 C +ATOM 453 CD LYS E 135 25.893 47.333 -11.470 1.00 57.05 C +ATOM 454 CE LYS E 135 26.398 46.046 -10.794 1.00 61.17 C +ATOM 455 NZ LYS E 135 25.488 45.554 -9.704 1.00 60.63 N +ATOM 456 N ARG E 136 26.913 52.917 -12.102 1.00 32.56 N +ATOM 457 CA ARG E 136 26.463 54.131 -12.776 1.00 31.66 C +ATOM 458 C ARG E 136 25.025 53.967 -13.263 1.00 29.58 C +ATOM 459 O ARG E 136 24.685 52.974 -13.897 1.00 29.54 O +ATOM 460 CB ARG E 136 27.387 54.456 -13.951 1.00 34.75 C +ATOM 461 CG ARG E 136 27.177 55.828 -14.538 1.00 39.51 C +ATOM 462 CD ARG E 136 28.088 56.148 -15.711 1.00 45.88 C +ATOM 463 NE ARG E 136 27.734 57.437 -16.297 1.00 50.78 N +ATOM 464 CZ ARG E 136 28.400 58.561 -16.083 1.00 54.90 C +ATOM 465 NH1 ARG E 136 29.476 58.561 -15.296 1.00 60.54 N +ATOM 466 NH2 ARG E 136 27.999 59.688 -16.655 1.00 53.27 N +ATOM 467 N GLY E 137 24.178 54.934 -12.937 1.00 27.92 N +ATOM 468 CA GLY E 137 22.795 54.874 -13.354 1.00 31.57 C +ATOM 469 C GLY E 137 21.854 54.311 -12.300 1.00 29.88 C +ATOM 470 O GLY E 137 20.652 54.469 -12.426 1.00 28.63 O +ATOM 471 N ASP E 138 22.385 53.649 -11.273 1.00 29.09 N +ATOM 472 CA ASP E 138 21.541 53.220 -10.161 1.00 27.50 C +ATOM 473 C ASP E 138 20.906 54.453 -9.545 1.00 28.94 C +ATOM 474 O ASP E 138 21.581 55.454 -9.293 1.00 29.70 O +ATOM 475 CB ASP E 138 22.340 52.465 -9.113 1.00 26.48 C +ATOM 476 CG ASP E 138 22.750 51.086 -9.576 1.00 32.42 C +ATOM 477 OD1 ASP E 138 22.242 50.631 -10.628 1.00 32.34 O +ATOM 478 OD2 ASP E 138 23.585 50.392 -8.951 1.00 31.28 O +ATOM 479 N ASP E 139 19.594 54.401 -9.359 1.00 26.72 N +ATOM 480 CA ASP E 139 18.911 55.476 -8.679 1.00 23.52 C +ATOM 481 C ASP E 139 18.676 55.050 -7.241 1.00 22.02 C +ATOM 482 O ASP E 139 17.935 54.098 -6.995 1.00 27.12 O +ATOM 483 CB ASP E 139 17.601 55.832 -9.373 1.00 26.39 C +ATOM 484 CG ASP E 139 16.894 56.982 -8.697 1.00 27.56 C +ATOM 485 OD1 ASP E 139 17.389 58.128 -8.600 1.00 32.62 O +ATOM 486 OD2 ASP E 139 15.784 56.771 -8.187 1.00 28.52 O +ATOM 487 N PRO E 140 19.333 55.723 -6.294 1.00 20.76 N +ATOM 488 CA PRO E 140 19.201 55.395 -4.866 1.00 18.97 C +ATOM 489 C PRO E 140 17.755 55.234 -4.385 1.00 19.52 C +ATOM 490 O PRO E 140 17.455 54.233 -3.739 1.00 18.30 O +ATOM 491 CB PRO E 140 19.893 56.572 -4.178 1.00 19.17 C +ATOM 492 CG PRO E 140 20.961 56.963 -5.171 1.00 21.68 C +ATOM 493 CD PRO E 140 20.293 56.819 -6.520 1.00 19.73 C +ATOM 494 N TRP E 141 16.871 56.174 -4.705 1.00 20.19 N +ATOM 495 CA TRP E 141 15.470 56.044 -4.288 1.00 21.71 C +ATOM 496 C TRP E 141 14.831 54.787 -4.859 1.00 22.15 C +ATOM 497 O TRP E 141 14.133 54.054 -4.153 1.00 26.25 O +ATOM 498 CB TRP E 141 14.658 57.244 -4.738 1.00 18.58 C +ATOM 499 CG TRP E 141 14.704 58.413 -3.826 1.00 19.06 C +ATOM 500 CD1 TRP E 141 14.940 59.713 -4.183 1.00 18.11 C +ATOM 501 CD2 TRP E 141 14.475 58.422 -2.411 1.00 12.59 C +ATOM 502 NE1 TRP E 141 14.868 60.520 -3.075 1.00 18.55 N +ATOM 503 CE2 TRP E 141 14.588 59.749 -1.977 1.00 15.66 C +ATOM 504 CE3 TRP E 141 14.193 57.435 -1.466 1.00 15.47 C +ATOM 505 CZ2 TRP E 141 14.415 60.117 -0.648 1.00 17.46 C +ATOM 506 CZ3 TRP E 141 14.032 57.794 -0.163 1.00 16.33 C +ATOM 507 CH2 TRP E 141 14.146 59.125 0.242 1.00 19.21 C +ATOM 508 N THR E 142 15.068 54.546 -6.142 1.00 24.20 N +ATOM 509 CA THR E 142 14.512 53.376 -6.825 1.00 26.33 C +ATOM 510 C THR E 142 15.027 52.089 -6.207 1.00 25.23 C +ATOM 511 O THR E 142 14.241 51.165 -5.930 1.00 26.60 O +ATOM 512 CB THR E 142 14.855 53.427 -8.324 1.00 26.81 C +ATOM 513 OG1 THR E 142 14.280 54.609 -8.888 1.00 27.71 O +ATOM 514 CG2 THR E 142 14.176 52.289 -9.083 1.00 24.44 C +ATOM 515 N GLU E 143 16.343 52.032 -5.980 1.00 23.67 N +ATOM 516 CA GLU E 143 16.960 50.896 -5.302 1.00 22.33 C +ATOM 517 C GLU E 143 16.374 50.742 -3.907 1.00 22.80 C +ATOM 518 O GLU E 143 16.086 49.636 -3.463 1.00 24.51 O +ATOM 519 CB GLU E 143 18.484 51.057 -5.214 1.00 23.10 C +ATOM 520 CG GLU E 143 19.209 51.007 -6.549 1.00 27.05 C +ATOM 521 CD GLU E 143 18.759 49.854 -7.423 1.00 24.60 C +ATOM 522 OE1 GLU E 143 18.873 48.700 -6.991 1.00 26.38 O +ATOM 523 OE2 GLU E 143 18.290 50.104 -8.548 1.00 32.65 O +ATOM 524 N HIS E 144 16.211 51.864 -3.219 1.00 24.67 N +ATOM 525 CA HIS E 144 15.604 51.873 -1.892 1.00 26.01 C +ATOM 526 C HIS E 144 14.213 51.236 -1.965 1.00 26.49 C +ATOM 527 O HIS E 144 13.853 50.421 -1.118 1.00 25.42 O +ATOM 528 CB HIS E 144 15.504 53.305 -1.368 1.00 15.45 C +ATOM 529 CG HIS E 144 15.521 53.414 0.126 1.00 19.55 C +ATOM 530 ND1 HIS E 144 16.010 54.529 0.779 1.00 18.52 N +ATOM 531 CD2 HIS E 144 15.097 52.562 1.094 1.00 15.55 C +ATOM 532 CE1 HIS E 144 15.893 54.353 2.084 1.00 19.96 C +ATOM 533 NE2 HIS E 144 15.352 53.164 2.301 1.00 20.13 N +ATOM 534 N ALA E 145 13.451 51.612 -2.992 1.00 25.96 N +ATOM 535 CA ALA E 145 12.092 51.099 -3.197 1.00 26.02 C +ATOM 536 C ALA E 145 12.071 49.634 -3.621 1.00 28.25 C +ATOM 537 O ALA E 145 11.198 48.876 -3.187 1.00 26.36 O +ATOM 538 CB ALA E 145 11.353 51.957 -4.195 1.00 20.01 C +ATOM 539 N LYS E 146 13.041 49.234 -4.447 1.00 29.06 N +ATOM 540 CA LYS E 146 13.152 47.842 -4.882 1.00 32.05 C +ATOM 541 C LYS E 146 13.337 46.942 -3.681 1.00 31.63 C +ATOM 542 O LYS E 146 12.646 45.939 -3.531 1.00 36.60 O +ATOM 543 CB LYS E 146 14.354 47.630 -5.819 1.00 34.01 C +ATOM 544 CG LYS E 146 14.205 48.140 -7.250 1.00 37.66 C +ATOM 545 CD LYS E 146 15.287 47.539 -8.149 1.00 38.61 C +ATOM 546 CE LYS E 146 15.386 48.268 -9.486 1.00 41.64 C +ATOM 547 NZ LYS E 146 16.769 48.204 -10.069 1.00 38.80 N +ATOM 548 N TRP E 147 14.274 47.322 -2.821 1.00 29.27 N +ATOM 549 CA TRP E 147 14.807 46.420 -1.813 1.00 29.17 C +ATOM 550 C TRP E 147 14.149 46.555 -0.452 1.00 29.12 C +ATOM 551 O TRP E 147 13.980 45.557 0.265 1.00 29.65 O +ATOM 552 CB TRP E 147 16.313 46.616 -1.704 1.00 32.20 C +ATOM 553 CG TRP E 147 17.025 46.145 -2.920 1.00 41.85 C +ATOM 554 CD1 TRP E 147 17.521 46.912 -3.932 1.00 41.28 C +ATOM 555 CD2 TRP E 147 17.316 44.790 -3.265 1.00 45.23 C +ATOM 556 NE1 TRP E 147 18.113 46.119 -4.883 1.00 43.91 N +ATOM 557 CE2 TRP E 147 17.999 44.809 -4.500 1.00 49.25 C +ATOM 558 CE3 TRP E 147 17.066 43.551 -2.653 1.00 50.99 C +ATOM 559 CZ2 TRP E 147 18.441 43.640 -5.135 1.00 54.48 C +ATOM 560 CZ3 TRP E 147 17.505 42.388 -3.282 1.00 55.60 C +ATOM 561 CH2 TRP E 147 18.188 42.443 -4.510 1.00 55.71 C +ATOM 562 N PHE E 148 13.777 47.781 -0.088 1.00 26.07 N +ATOM 563 CA PHE E 148 13.176 48.021 1.229 1.00 24.33 C +ATOM 564 C PHE E 148 11.896 48.855 1.109 1.00 24.77 C +ATOM 565 O PHE E 148 11.790 49.936 1.696 1.00 24.80 O +ATOM 566 CB PHE E 148 14.208 48.640 2.202 1.00 24.23 C +ATOM 567 CG PHE E 148 15.605 48.047 2.072 1.00 26.43 C +ATOM 568 CD1 PHE E 148 15.879 46.753 2.514 1.00 27.50 C +ATOM 569 CD2 PHE E 148 16.636 48.781 1.497 1.00 26.78 C +ATOM 570 CE1 PHE E 148 17.153 46.191 2.375 1.00 29.06 C +ATOM 571 CE2 PHE E 148 17.921 48.234 1.363 1.00 27.90 C +ATOM 572 CZ PHE E 148 18.176 46.933 1.793 1.00 27.17 C +ATOM 573 N PRO E 149 10.902 48.332 0.381 1.00 23.94 N +ATOM 574 CA PRO E 149 9.706 49.111 0.039 1.00 20.75 C +ATOM 575 C PRO E 149 8.901 49.569 1.250 1.00 20.80 C +ATOM 576 O PRO E 149 8.152 50.527 1.136 1.00 23.34 O +ATOM 577 CB PRO E 149 8.870 48.124 -0.809 1.00 23.19 C +ATOM 578 CG PRO E 149 9.336 46.770 -0.402 1.00 23.28 C +ATOM 579 CD PRO E 149 10.822 46.948 -0.145 1.00 25.71 C +ATOM 580 N SER E 150 9.055 48.903 2.386 1.00 22.44 N +ATOM 581 CA SER E 150 8.285 49.259 3.569 1.00 28.91 C +ATOM 582 C SER E 150 8.992 50.295 4.446 1.00 28.87 C +ATOM 583 O SER E 150 8.482 50.664 5.501 1.00 26.38 O +ATOM 584 CB SER E 150 7.937 48.008 4.380 1.00 35.66 C +ATOM 585 OG SER E 150 9.078 47.520 5.058 1.00 39.17 O +ATOM 586 N CYS E 151 10.155 50.776 4.007 1.00 27.03 N +ATOM 587 CA CYS E 151 10.869 51.810 4.748 1.00 23.76 C +ATOM 588 C CYS E 151 10.017 53.059 4.780 1.00 21.73 C +ATOM 589 O CYS E 151 9.621 53.579 3.729 1.00 22.86 O +ATOM 590 CB CYS E 151 12.219 52.130 4.090 1.00 22.52 C +ATOM 591 SG CYS E 151 13.014 53.559 4.837 1.00 19.69 S +ATOM 592 N GLN E 152 9.730 53.540 5.984 1.00 22.24 N +ATOM 593 CA GLN E 152 8.810 54.651 6.143 1.00 25.75 C +ATOM 594 C GLN E 152 9.445 55.955 5.716 1.00 26.54 C +ATOM 595 O GLN E 152 8.757 56.865 5.272 1.00 25.84 O +ATOM 596 CB GLN E 152 8.319 54.761 7.582 1.00 32.90 C +ATOM 597 CG GLN E 152 7.312 53.700 7.968 1.00 45.77 C +ATOM 598 CD GLN E 152 7.082 53.654 9.469 1.00 55.59 C +ATOM 599 OE1 GLN E 152 6.679 54.655 10.074 1.00 59.51 O +ATOM 600 NE2 GLN E 152 7.352 52.502 10.076 1.00 57.51 N +ATOM 601 N PHE E 153 10.762 56.053 5.848 1.00 21.38 N +ATOM 602 CA PHE E 153 11.423 57.253 5.384 1.00 22.67 C +ATOM 603 C PHE E 153 11.273 57.330 3.869 1.00 16.18 C +ATOM 604 O PHE E 153 10.977 58.371 3.328 1.00 19.92 O +ATOM 605 CB PHE E 153 12.902 57.261 5.786 1.00 18.64 C +ATOM 606 CG PHE E 153 13.677 58.351 5.144 1.00 17.07 C +ATOM 607 CD1 PHE E 153 13.559 59.663 5.604 1.00 19.70 C +ATOM 608 CD2 PHE E 153 14.493 58.083 4.057 1.00 15.56 C +ATOM 609 CE1 PHE E 153 14.271 60.694 5.007 1.00 21.08 C +ATOM 610 CE2 PHE E 153 15.218 59.103 3.449 1.00 17.40 C +ATOM 611 CZ PHE E 153 15.115 60.405 3.919 1.00 19.75 C +ATOM 612 N LEU E 154 11.484 56.206 3.197 1.00 17.31 N +ATOM 613 CA LEU E 154 11.259 56.128 1.763 1.00 19.55 C +ATOM 614 C LEU E 154 9.795 56.454 1.418 1.00 23.46 C +ATOM 615 O LEU E 154 9.518 57.217 0.479 1.00 21.53 O +ATOM 616 CB LEU E 154 11.625 54.730 1.264 1.00 16.58 C +ATOM 617 CG LEU E 154 11.022 54.308 -0.083 1.00 20.07 C +ATOM 618 CD1 LEU E 154 11.682 55.032 -1.253 1.00 19.23 C +ATOM 619 CD2 LEU E 154 11.153 52.813 -0.239 1.00 20.14 C +ATOM 620 N LEU E 155 8.866 55.890 2.189 1.00 23.64 N +ATOM 621 CA LEU E 155 7.454 56.095 1.894 1.00 25.30 C +ATOM 622 C LEU E 155 7.054 57.539 2.076 1.00 24.49 C +ATOM 623 O LEU E 155 6.355 58.081 1.234 1.00 26.29 O +ATOM 624 CB LEU E 155 6.559 55.165 2.700 1.00 24.44 C +ATOM 625 CG LEU E 155 6.581 53.723 2.177 1.00 24.86 C +ATOM 626 CD1 LEU E 155 6.175 52.772 3.302 1.00 23.87 C +ATOM 627 CD2 LEU E 155 5.671 53.546 0.949 1.00 23.47 C +ATOM 628 N ARG E 156 7.544 58.172 3.137 1.00 25.27 N +ATOM 629 CA ARG E 156 7.251 59.567 3.380 1.00 30.12 C +ATOM 630 C ARG E 156 7.894 60.440 2.322 1.00 27.37 C +ATOM 631 O ARG E 156 7.319 61.431 1.912 1.00 26.42 O +ATOM 632 CB ARG E 156 7.738 59.994 4.760 1.00 39.02 C +ATOM 633 CG ARG E 156 6.824 59.568 5.910 1.00 54.45 C +ATOM 634 CD ARG E 156 7.164 60.211 7.265 1.00 64.66 C +ATOM 635 NE ARG E 156 6.985 61.669 7.259 1.00 73.18 N +ATOM 636 CZ ARG E 156 7.145 62.466 8.318 1.00 77.14 C +ATOM 637 NH1 ARG E 156 7.496 61.965 9.499 1.00 76.66 N +ATOM 638 NH2 ARG E 156 6.953 63.776 8.193 1.00 78.01 N +ATOM 639 N SER E 157 9.103 60.078 1.898 1.00 22.35 N +ATOM 640 CA SER E 157 9.863 60.944 1.009 1.00 22.60 C +ATOM 641 C SER E 157 9.378 60.824 -0.414 1.00 18.29 C +ATOM 642 O SER E 157 9.272 61.823 -1.119 1.00 25.68 O +ATOM 643 CB SER E 157 11.350 60.603 1.074 1.00 19.06 C +ATOM 644 OG SER E 157 11.790 60.636 2.421 1.00 21.26 O +ATOM 645 N LYS E 158 9.075 59.599 -0.824 1.00 20.32 N +ATOM 646 CA LYS E 158 8.777 59.329 -2.225 1.00 24.84 C +ATOM 647 C LYS E 158 7.315 59.016 -2.488 1.00 26.57 C +ATOM 648 O LYS E 158 6.887 59.046 -3.637 1.00 25.71 O +ATOM 649 CB LYS E 158 9.654 58.201 -2.749 1.00 23.07 C +ATOM 650 CG LYS E 158 11.131 58.579 -2.843 1.00 25.32 C +ATOM 651 CD LYS E 158 11.369 59.722 -3.825 1.00 25.64 C +ATOM 652 CE LYS E 158 11.388 59.210 -5.266 1.00 21.99 C +ATOM 653 NZ LYS E 158 11.453 60.362 -6.174 1.00 27.43 N +ATOM 654 N GLY E 159 6.563 58.723 -1.427 1.00 24.88 N +ATOM 655 CA GLY E 159 5.150 58.397 -1.556 1.00 28.44 C +ATOM 656 C GLY E 159 4.891 56.944 -1.917 1.00 29.27 C +ATOM 657 O GLY E 159 5.732 56.260 -2.506 1.00 28.16 O +ATOM 658 N ARG E 160 3.701 56.482 -1.555 1.00 31.85 N +ATOM 659 CA ARG E 160 3.223 55.144 -1.874 1.00 32.12 C +ATOM 660 C ARG E 160 3.279 54.809 -3.362 1.00 28.72 C +ATOM 661 O ARG E 160 3.633 53.700 -3.725 1.00 27.89 O +ATOM 662 CB ARG E 160 1.771 55.006 -1.418 1.00 40.45 C +ATOM 663 CG ARG E 160 1.586 54.462 -0.024 1.00 51.51 C +ATOM 664 CD ARG E 160 0.194 53.900 0.212 1.00 61.06 C +ATOM 665 NE ARG E 160 -0.467 54.527 1.352 1.00 68.00 N +ATOM 666 CZ ARG E 160 -1.308 55.554 1.275 1.00 71.01 C +ATOM 667 NH1 ARG E 160 -1.614 56.107 0.102 1.00 69.49 N +ATOM 668 NH2 ARG E 160 -1.844 56.034 2.387 1.00 72.00 N +ATOM 669 N ASP E 161 2.909 55.755 -4.219 1.00 25.90 N +ATOM 670 CA ASP E 161 2.774 55.459 -5.647 1.00 29.94 C +ATOM 671 C ASP E 161 4.109 55.080 -6.258 1.00 31.98 C +ATOM 672 O ASP E 161 4.216 54.051 -6.938 1.00 29.83 O +ATOM 673 CB ASP E 161 2.154 56.638 -6.390 1.00 32.70 C +ATOM 674 CG ASP E 161 0.706 56.886 -5.988 1.00 33.78 C +ATOM 675 OD1 ASP E 161 0.147 56.106 -5.189 1.00 36.33 O +ATOM 676 OD2 ASP E 161 0.055 57.853 -6.412 1.00 33.90 O +ATOM 677 N PHE E 162 5.128 55.899 -5.973 1.00 32.81 N +ATOM 678 CA PHE E 162 6.498 55.615 -6.388 1.00 27.49 C +ATOM 679 C PHE E 162 6.908 54.212 -5.979 1.00 24.54 C +ATOM 680 O PHE E 162 7.395 53.436 -6.796 1.00 28.77 O +ATOM 681 CB PHE E 162 7.481 56.637 -5.798 1.00 30.91 C +ATOM 682 CG PHE E 162 8.916 56.355 -6.148 1.00 31.88 C +ATOM 683 CD1 PHE E 162 9.426 56.727 -7.395 1.00 29.49 C +ATOM 684 CD2 PHE E 162 9.745 55.681 -5.252 1.00 30.42 C +ATOM 685 CE1 PHE E 162 10.747 56.446 -7.737 1.00 30.55 C +ATOM 686 CE2 PHE E 162 11.078 55.395 -5.582 1.00 29.10 C +ATOM 687 CZ PHE E 162 11.575 55.777 -6.828 1.00 30.27 C +ATOM 688 N VAL E 163 6.697 53.879 -4.710 1.00 27.27 N +ATOM 689 CA VAL E 163 7.140 52.596 -4.184 1.00 26.52 C +ATOM 690 C VAL E 163 6.354 51.461 -4.832 1.00 29.78 C +ATOM 691 O VAL E 163 6.942 50.475 -5.280 1.00 29.59 O +ATOM 692 CB VAL E 163 7.021 52.528 -2.656 1.00 23.84 C +ATOM 693 CG1 VAL E 163 7.354 51.150 -2.178 1.00 20.69 C +ATOM 694 CG2 VAL E 163 7.959 53.558 -1.997 1.00 22.64 C +ATOM 695 N HIS E 164 5.032 51.611 -4.884 1.00 31.93 N +ATOM 696 CA HIS E 164 4.175 50.652 -5.575 1.00 37.55 C +ATOM 697 C HIS E 164 4.671 50.439 -7.000 1.00 36.34 C +ATOM 698 O HIS E 164 4.847 49.305 -7.439 1.00 38.37 O +ATOM 699 CB HIS E 164 2.729 51.142 -5.598 1.00 41.28 C +ATOM 700 CG HIS E 164 1.739 50.075 -5.948 1.00 52.36 C +ATOM 701 ND1 HIS E 164 1.416 49.757 -7.250 1.00 55.22 N +ATOM 702 CD2 HIS E 164 1.000 49.253 -5.165 1.00 56.28 C +ATOM 703 CE1 HIS E 164 0.523 48.784 -7.255 1.00 57.81 C +ATOM 704 NE2 HIS E 164 0.252 48.461 -6.003 1.00 59.28 N +ATOM 705 N SER E 165 4.918 51.546 -7.697 1.00 32.34 N +ATOM 706 CA SER E 165 5.359 51.520 -9.077 1.00 37.21 C +ATOM 707 C SER E 165 6.667 50.736 -9.253 1.00 38.93 C +ATOM 708 O SER E 165 6.777 49.901 -10.148 1.00 39.50 O +ATOM 709 CB SER E 165 5.484 52.953 -9.607 1.00 40.59 C +ATOM 710 OG SER E 165 6.230 52.996 -10.809 1.00 50.47 O +ATOM 711 N VAL E 166 7.648 51.006 -8.395 1.00 36.29 N +ATOM 712 CA VAL E 166 8.926 50.306 -8.437 1.00 31.36 C +ATOM 713 C VAL E 166 8.725 48.836 -8.081 1.00 34.11 C +ATOM 714 O VAL E 166 9.314 47.966 -8.705 1.00 33.25 O +ATOM 715 CB VAL E 166 9.958 50.946 -7.475 1.00 31.03 C +ATOM 716 CG1 VAL E 166 11.193 50.050 -7.295 1.00 25.23 C +ATOM 717 CG2 VAL E 166 10.352 52.350 -7.957 1.00 26.27 C +ATOM 718 N GLN E 167 7.886 48.564 -7.085 1.00 38.21 N +ATOM 719 CA GLN E 167 7.614 47.189 -6.671 1.00 46.64 C +ATOM 720 C GLN E 167 6.914 46.372 -7.759 1.00 52.54 C +ATOM 721 O GLN E 167 6.970 45.140 -7.745 1.00 51.79 O +ATOM 722 CB GLN E 167 6.790 47.163 -5.383 1.00 45.18 C +ATOM 723 CG GLN E 167 7.618 47.203 -4.112 1.00 46.26 C +ATOM 724 CD GLN E 167 8.678 46.118 -4.064 1.00 48.35 C +ATOM 725 OE1 GLN E 167 8.362 44.929 -4.148 1.00 52.35 O +ATOM 726 NE2 GLN E 167 9.936 46.521 -3.928 1.00 45.24 N +ATOM 727 N GLU E 168 6.267 47.066 -8.694 1.00 60.22 N +ATOM 728 CA GLU E 168 5.539 46.425 -9.787 1.00 69.48 C +ATOM 729 C GLU E 168 6.474 45.833 -10.841 1.00 72.99 C +ATOM 730 O GLU E 168 6.357 44.654 -11.182 1.00 72.56 O +ATOM 731 CB GLU E 168 4.563 47.406 -10.436 1.00 71.99 C +ATOM 732 CG GLU E 168 3.129 46.913 -10.468 1.00 78.95 C +ATOM 733 CD GLU E 168 2.183 47.912 -11.112 1.00 83.77 C +ATOM 734 OE1 GLU E 168 2.456 49.136 -11.046 1.00 84.67 O +ATOM 735 OE2 GLU E 168 1.161 47.470 -11.684 1.00 85.02 O +ATOM 736 N THR E 169 7.402 46.649 -11.347 1.00 77.54 N +ATOM 737 CA THR E 169 8.376 46.191 -12.341 1.00 82.43 C +ATOM 738 C THR E 169 9.451 45.310 -11.700 1.00 88.29 C +ATOM 739 O THR E 169 10.593 45.265 -12.166 1.00 89.29 O +ATOM 740 CB THR E 169 9.002 47.378 -13.114 1.00 81.24 C +ATOM 741 OG1 THR E 169 8.769 48.603 -12.410 1.00 79.61 O +ATOM 742 CG2 THR E 169 8.276 47.593 -14.438 1.00 81.97 C +ATOM 743 N HIS E 170 9.052 44.617 -10.630 1.00 94.22 N +ATOM 744 CA HIS E 170 9.871 43.664 -9.869 1.00 99.97 C +ATOM 745 C HIS E 170 11.081 44.254 -9.128 1.00102.08 C +ATOM 746 O HIS E 170 11.729 45.192 -9.602 1.00103.01 O +ATOM 747 CB HIS E 170 10.265 42.454 -10.728 1.00102.85 C +ATOM 748 CG HIS E 170 9.175 41.437 -10.865 1.00105.43 C +ATOM 749 ND1 HIS E 170 8.376 41.347 -11.985 1.00106.23 N +ATOM 750 CD2 HIS E 170 8.743 40.474 -10.016 1.00106.29 C +ATOM 751 CE1 HIS E 170 7.504 40.367 -11.823 1.00106.81 C +ATOM 752 NE2 HIS E 170 7.705 39.822 -10.637 1.00107.07 N +ATOM 753 N SER E 171 11.365 43.685 -7.958 1.00103.22 N +ATOM 754 CA SER E 171 12.405 44.182 -7.057 1.00104.32 C +ATOM 755 C SER E 171 13.812 43.682 -7.410 1.00104.73 C +ATOM 756 O SER E 171 14.648 43.371 -6.555 1.00103.53 O +ATOM 757 CB SER E 171 12.055 43.817 -5.611 1.00105.25 C +ATOM 758 OG SER E 171 11.657 42.461 -5.503 1.00106.16 O +ATOM 760 N ALA F 1 22.380 48.256 -7.698 1.00 42.78 N +ATOM 761 CA ALA F 1 22.661 47.903 -6.286 1.00 42.24 C +ATOM 762 C ALA F 1 22.084 46.538 -5.975 1.00 45.21 C +ATOM 763 O ALA F 1 21.133 46.102 -6.626 1.00 45.22 O +ATOM 764 CB ALA F 1 22.071 48.941 -5.352 1.00 40.09 C +ATOM 765 N GLU F 2 22.668 45.869 -4.984 1.00 44.23 N +ATOM 766 CA GLU F 2 22.122 44.623 -4.461 1.00 52.54 C +ATOM 767 C GLU F 2 22.170 44.598 -2.932 1.00 53.63 C +ATOM 768 O GLU F 2 23.052 45.213 -2.317 1.00 45.91 O +ATOM 769 CB GLU F 2 22.848 43.407 -5.043 1.00 59.29 C +ATOM 770 CG GLU F 2 24.352 43.560 -5.166 1.00 68.31 C +ATOM 771 CD GLU F 2 25.105 42.388 -4.570 1.00 74.94 C +ATOM 772 OE1 GLU F 2 25.269 42.355 -3.327 1.00 77.70 O +ATOM 773 OE2 GLU F 2 25.529 41.501 -5.349 1.00 77.31 O +ATOM 774 N ALA F 3 21.212 43.893 -2.332 1.00 57.59 N +ATOM 775 CA ALA F 3 21.144 43.744 -0.880 1.00 61.34 C +ATOM 776 C ALA F 3 22.351 42.970 -0.371 1.00 63.72 C +ATOM 777 O ALA F 3 22.946 42.185 -1.109 1.00 65.69 O +ATOM 778 CB ALA F 3 19.855 43.048 -0.481 1.00 61.11 C +ATOM 779 N VAL F 4 22.731 43.213 0.878 1.00 69.00 N +ATOM 780 CA VAL F 4 23.830 42.470 1.491 1.00 74.07 C +ATOM 781 C VAL F 4 23.301 41.202 2.174 1.00 77.88 C +ATOM 782 O VAL F 4 22.217 41.193 2.764 1.00 81.03 O +ATOM 783 CB VAL F 4 24.681 43.354 2.459 1.00 74.22 C +ATOM 784 CG1 VAL F 4 23.866 43.823 3.658 1.00 74.72 C +ATOM 785 CG2 VAL F 4 25.952 42.623 2.907 1.00 73.71 C Added: SwiftApps/modFTdock/input/1oxn-6.pdb =================================================================== --- SwiftApps/modFTdock/input/1oxn-6.pdb (rev 0) +++ SwiftApps/modFTdock/input/1oxn-6.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,784 @@ +ATOM 1 N GLY E 78 -11.092 52.914 -16.188 1.00 35.22 N +ATOM 2 CA GLY E 78 -12.452 53.319 -16.648 1.00 31.46 C +ATOM 3 C GLY E 78 -12.424 54.630 -17.411 1.00 26.73 C +ATOM 4 O GLY E 78 -11.346 55.166 -17.710 1.00 29.30 O +ATOM 5 N PRO E 79 -13.605 55.164 -17.704 1.00 26.68 N +ATOM 6 CA PRO E 79 -13.723 56.407 -18.473 1.00 24.15 C +ATOM 7 C PRO E 79 -13.112 57.593 -17.732 1.00 20.38 C +ATOM 8 O PRO E 79 -13.157 57.649 -16.507 1.00 21.62 O +ATOM 9 CB PRO E 79 -15.237 56.596 -18.598 1.00 23.56 C +ATOM 10 CG PRO E 79 -15.830 55.246 -18.328 1.00 25.91 C +ATOM 11 CD PRO E 79 -14.927 54.624 -17.323 1.00 27.21 C +ATOM 12 N ALA E 80 -12.553 58.529 -18.480 1.00 20.41 N +ATOM 13 CA ALA E 80 -12.104 59.807 -17.915 1.00 19.18 C +ATOM 14 C ALA E 80 -13.273 60.554 -17.296 1.00 21.56 C +ATOM 15 O ALA E 80 -13.120 61.239 -16.288 1.00 24.32 O +ATOM 16 CB ALA E 80 -11.464 60.651 -19.000 1.00 15.94 C +ATOM 17 N PHE E 81 -14.451 60.394 -17.893 1.00 23.01 N +ATOM 18 CA PHE E 81 -15.618 61.168 -17.502 1.00 21.37 C +ATOM 19 C PHE E 81 -16.800 60.220 -17.542 1.00 20.77 C +ATOM 20 O PHE E 81 -17.556 60.191 -18.518 1.00 19.05 O +ATOM 21 CB PHE E 81 -15.786 62.339 -18.480 1.00 21.51 C +ATOM 22 CG PHE E 81 -16.934 63.265 -18.177 1.00 22.24 C +ATOM 23 CD1 PHE E 81 -17.724 63.115 -17.041 1.00 20.38 C +ATOM 24 CD2 PHE E 81 -17.223 64.302 -19.056 1.00 21.80 C +ATOM 25 CE1 PHE E 81 -18.791 63.993 -16.788 1.00 19.63 C +ATOM 26 CE2 PHE E 81 -18.275 65.177 -18.814 1.00 18.67 C +ATOM 27 CZ PHE E 81 -19.060 65.019 -17.681 1.00 21.70 C +ATOM 28 N PRO E 82 -16.950 59.424 -16.483 1.00 20.86 N +ATOM 29 CA PRO E 82 -18.018 58.430 -16.415 1.00 21.71 C +ATOM 30 C PRO E 82 -19.402 59.023 -16.621 1.00 23.50 C +ATOM 31 O PRO E 82 -20.263 58.351 -17.196 1.00 26.58 O +ATOM 32 CB PRO E 82 -17.889 57.864 -14.995 1.00 22.07 C +ATOM 33 CG PRO E 82 -16.485 58.099 -14.638 1.00 21.06 C +ATOM 34 CD PRO E 82 -16.102 59.399 -15.276 1.00 19.91 C +ATOM 35 N GLY E 83 -19.605 60.265 -16.197 1.00 22.71 N +ATOM 36 CA GLY E 83 -20.914 60.888 -16.299 1.00 21.77 C +ATOM 37 C GLY E 83 -21.400 61.062 -17.735 1.00 23.03 C +ATOM 38 O GLY E 83 -22.572 61.292 -17.947 1.00 20.65 O +ATOM 39 N MET E 84 -20.512 60.956 -18.722 1.00 19.39 N +ATOM 40 CA MET E 84 -20.941 61.035 -20.109 1.00 17.97 C +ATOM 41 C MET E 84 -20.879 59.673 -20.793 1.00 20.43 C +ATOM 42 O MET E 84 -20.793 59.581 -22.019 1.00 21.94 O +ATOM 43 CB MET E 84 -20.180 62.128 -20.867 1.00 19.52 C +ATOM 44 CG MET E 84 -20.831 63.510 -20.723 1.00 30.08 C +ATOM 45 SD MET E 84 -22.456 63.513 -21.541 1.00 34.34 S +ATOM 46 CE MET E 84 -22.595 65.068 -21.990 1.00 36.75 C +ATOM 47 N GLY E 85 -20.945 58.612 -19.987 1.00 19.21 N +ATOM 48 CA GLY E 85 -20.932 57.258 -20.514 1.00 16.53 C +ATOM 49 C GLY E 85 -22.204 56.887 -21.262 1.00 23.10 C +ATOM 50 O GLY E 85 -22.204 55.965 -22.066 1.00 21.94 O +ATOM 51 N SER E 86 -23.288 57.615 -21.012 1.00 18.24 N +ATOM 52 CA SER E 86 -24.547 57.361 -21.698 1.00 19.35 C +ATOM 53 C SER E 86 -24.564 58.032 -23.077 1.00 20.09 C +ATOM 54 O SER E 86 -24.448 59.263 -23.196 1.00 19.99 O +ATOM 55 CB SER E 86 -25.720 57.860 -20.853 1.00 21.96 C +ATOM 56 OG SER E 86 -26.859 58.060 -21.661 1.00 27.44 O +ATOM 57 N GLU E 87 -24.715 57.218 -24.116 1.00 19.69 N +ATOM 58 CA GLU E 87 -24.807 57.732 -25.479 1.00 22.00 C +ATOM 59 C GLU E 87 -25.956 58.730 -25.649 1.00 21.24 C +ATOM 60 O GLU E 87 -25.816 59.738 -26.332 1.00 18.61 O +ATOM 61 CB GLU E 87 -24.964 56.599 -26.494 1.00 21.18 C +ATOM 62 CG GLU E 87 -24.994 57.122 -27.927 1.00 27.35 C +ATOM 63 CD GLU E 87 -25.065 56.031 -28.950 1.00 33.33 C +ATOM 64 OE1 GLU E 87 -24.902 54.857 -28.568 1.00 35.26 O +ATOM 65 OE2 GLU E 87 -25.288 56.354 -30.133 1.00 39.30 O +ATOM 66 N GLU E 88 -27.085 58.424 -25.024 1.00 25.06 N +ATOM 67 CA GLU E 88 -28.263 59.278 -25.034 1.00 28.88 C +ATOM 68 C GLU E 88 -27.903 60.661 -24.511 1.00 23.90 C +ATOM 69 O GLU E 88 -28.199 61.681 -25.143 1.00 25.82 O +ATOM 70 CB GLU E 88 -29.354 58.642 -24.162 1.00 35.71 C +ATOM 71 CG GLU E 88 -30.772 58.951 -24.610 1.00 51.07 C +ATOM 72 CD GLU E 88 -31.808 58.592 -23.556 1.00 58.46 C +ATOM 73 OE1 GLU E 88 -31.898 57.392 -23.190 1.00 62.15 O +ATOM 74 OE2 GLU E 88 -32.541 59.506 -23.102 1.00 58.60 O +ATOM 75 N LEU E 89 -27.242 60.688 -23.359 1.00 19.44 N +ATOM 76 CA LEU E 89 -26.815 61.931 -22.754 1.00 20.60 C +ATOM 77 C LEU E 89 -25.804 62.650 -23.653 1.00 18.32 C +ATOM 78 O LEU E 89 -25.863 63.850 -23.814 1.00 20.30 O +ATOM 79 CB LEU E 89 -26.219 61.682 -21.372 1.00 25.40 C +ATOM 80 CG LEU E 89 -26.750 62.410 -20.133 1.00 36.96 C +ATOM 81 CD1 LEU E 89 -25.584 62.701 -19.155 1.00 33.07 C +ATOM 82 CD2 LEU E 89 -27.551 63.693 -20.451 1.00 34.92 C +ATOM 83 N ARG E 90 -24.889 61.911 -24.262 1.00 17.56 N +ATOM 84 CA ARG E 90 -23.941 62.546 -25.171 1.00 17.15 C +ATOM 85 C ARG E 90 -24.668 63.160 -26.367 1.00 19.19 C +ATOM 86 O ARG E 90 -24.295 64.220 -26.844 1.00 20.45 O +ATOM 87 CB ARG E 90 -22.907 61.546 -25.650 1.00 14.68 C +ATOM 88 CG ARG E 90 -21.929 61.086 -24.586 1.00 18.18 C +ATOM 89 CD ARG E 90 -20.666 60.456 -25.168 1.00 17.06 C +ATOM 90 NE ARG E 90 -20.955 59.287 -26.015 1.00 17.85 N +ATOM 91 CZ ARG E 90 -21.170 58.053 -25.553 1.00 16.01 C +ATOM 92 NH1 ARG E 90 -21.143 57.814 -24.254 1.00 16.75 N +ATOM 93 NH2 ARG E 90 -21.406 57.048 -26.391 1.00 16.25 N +ATOM 94 N LEU E 91 -25.701 62.479 -26.856 1.00 20.18 N +ATOM 95 CA LEU E 91 -26.480 63.002 -27.964 1.00 19.69 C +ATOM 96 C LEU E 91 -27.201 64.278 -27.531 1.00 16.74 C +ATOM 97 O LEU E 91 -27.245 65.256 -28.275 1.00 16.50 O +ATOM 98 CB LEU E 91 -27.497 61.966 -28.431 1.00 21.26 C +ATOM 99 CG LEU E 91 -27.862 61.833 -29.921 1.00 24.75 C +ATOM 100 CD1 LEU E 91 -29.350 61.459 -30.078 1.00 21.36 C +ATOM 101 CD2 LEU E 91 -27.484 63.027 -30.780 1.00 20.77 C +ATOM 102 N ALA E 92 -27.761 64.247 -26.328 1.00 13.48 N +ATOM 103 CA ALA E 92 -28.498 65.378 -25.777 1.00 16.68 C +ATOM 104 C ALA E 92 -27.610 66.609 -25.726 1.00 20.65 C +ATOM 105 O ALA E 92 -28.084 67.727 -25.919 1.00 23.32 O +ATOM 106 CB ALA E 92 -29.024 65.049 -24.400 1.00 14.05 C +ATOM 107 N SER E 93 -26.316 66.392 -25.507 1.00 17.39 N +ATOM 108 CA SER E 93 -25.363 67.493 -25.396 1.00 18.99 C +ATOM 109 C SER E 93 -25.249 68.276 -26.692 1.00 15.39 C +ATOM 110 O SER E 93 -24.717 69.383 -26.698 1.00 22.96 O +ATOM 111 CB SER E 93 -23.981 66.992 -24.944 1.00 16.36 C +ATOM 112 OG SER E 93 -23.257 66.406 -26.030 1.00 16.73 O +ATOM 113 N PHE E 94 -25.740 67.701 -27.788 1.00 15.61 N +ATOM 114 CA PHE E 94 -25.617 68.347 -29.092 1.00 16.93 C +ATOM 115 C PHE E 94 -26.814 69.227 -29.435 1.00 19.07 C +ATOM 116 O PHE E 94 -26.973 69.624 -30.586 1.00 18.79 O +ATOM 117 CB PHE E 94 -25.366 67.313 -30.209 1.00 16.85 C +ATOM 118 CG PHE E 94 -23.983 66.702 -30.176 1.00 17.33 C +ATOM 119 CD1 PHE E 94 -22.926 67.303 -30.851 1.00 17.91 C +ATOM 120 CD2 PHE E 94 -23.751 65.517 -29.490 1.00 16.19 C +ATOM 121 CE1 PHE E 94 -21.651 66.746 -30.829 1.00 20.75 C +ATOM 122 CE2 PHE E 94 -22.481 64.946 -29.460 1.00 16.31 C +ATOM 123 CZ PHE E 94 -21.422 65.571 -30.119 1.00 16.57 C +ATOM 124 N TYR E 95 -27.646 69.537 -28.440 1.00 15.63 N +ATOM 125 CA TYR E 95 -28.841 70.339 -28.674 1.00 21.85 C +ATOM 126 C TYR E 95 -28.562 71.710 -29.346 1.00 24.22 C +ATOM 127 O TYR E 95 -29.431 72.244 -30.020 1.00 27.19 O +ATOM 128 CB TYR E 95 -29.626 70.511 -27.368 1.00 20.41 C +ATOM 129 CG TYR E 95 -28.927 71.387 -26.372 1.00 21.49 C +ATOM 130 CD1 TYR E 95 -29.103 72.762 -26.388 1.00 20.51 C +ATOM 131 CD2 TYR E 95 -28.067 70.844 -25.424 1.00 27.14 C +ATOM 132 CE1 TYR E 95 -28.450 73.582 -25.477 1.00 22.19 C +ATOM 133 CE2 TYR E 95 -27.402 71.650 -24.515 1.00 30.87 C +ATOM 134 CZ TYR E 95 -27.598 73.020 -24.546 1.00 29.67 C +ATOM 135 OH TYR E 95 -26.944 73.818 -23.632 1.00 35.34 O +ATOM 136 N ASP E 96 -27.363 72.260 -29.143 1.00 23.46 N +ATOM 137 CA ASP E 96 -26.922 73.499 -29.786 1.00 26.61 C +ATOM 138 C ASP E 96 -25.707 73.279 -30.698 1.00 24.84 C +ATOM 139 O ASP E 96 -24.897 74.189 -30.904 1.00 24.43 O +ATOM 140 CB ASP E 96 -26.573 74.562 -28.735 1.00 32.16 C +ATOM 141 CG ASP E 96 -27.757 75.466 -28.373 1.00 45.74 C +ATOM 142 OD1 ASP E 96 -28.823 75.387 -29.030 1.00 45.92 O +ATOM 143 OD2 ASP E 96 -27.705 76.299 -27.430 1.00 51.74 O +ATOM 144 N TRP E 97 -25.560 72.067 -31.214 1.00 22.04 N +ATOM 145 CA TRP E 97 -24.538 71.784 -32.222 1.00 22.23 C +ATOM 146 C TRP E 97 -24.757 72.710 -33.418 1.00 26.90 C +ATOM 147 O TRP E 97 -25.868 72.785 -33.952 1.00 28.43 O +ATOM 148 CB TRP E 97 -24.665 70.341 -32.670 1.00 18.30 C +ATOM 149 CG TRP E 97 -23.614 69.807 -33.599 1.00 17.68 C +ATOM 150 CD1 TRP E 97 -23.822 69.274 -34.846 1.00 16.23 C +ATOM 151 CD2 TRP E 97 -22.206 69.702 -33.351 1.00 16.42 C +ATOM 152 NE1 TRP E 97 -22.631 68.845 -35.383 1.00 16.45 N +ATOM 153 CE2 TRP E 97 -21.623 69.091 -34.486 1.00 15.75 C +ATOM 154 CE3 TRP E 97 -21.373 70.053 -32.281 1.00 13.44 C +ATOM 155 CZ2 TRP E 97 -20.256 68.846 -34.587 1.00 16.60 C +ATOM 156 CZ3 TRP E 97 -20.013 69.797 -32.382 1.00 18.88 C +ATOM 157 CH2 TRP E 97 -19.469 69.201 -33.526 1.00 17.14 C +ATOM 158 N PRO E 98 -23.705 73.418 -33.831 1.00 28.90 N +ATOM 159 CA PRO E 98 -23.814 74.356 -34.952 1.00 29.79 C +ATOM 160 C PRO E 98 -24.114 73.615 -36.254 1.00 31.47 C +ATOM 161 O PRO E 98 -23.498 72.583 -36.558 1.00 30.03 O +ATOM 162 CB PRO E 98 -22.446 75.052 -34.979 1.00 26.09 C +ATOM 163 CG PRO E 98 -21.530 74.140 -34.241 1.00 27.00 C +ATOM 164 CD PRO E 98 -22.347 73.384 -33.259 1.00 25.07 C +ATOM 165 N LEU E 99 -25.084 74.137 -36.999 1.00 33.80 N +ATOM 166 CA LEU E 99 -25.466 73.566 -38.286 1.00 35.25 C +ATOM 167 C LEU E 99 -24.315 73.594 -39.281 1.00 32.41 C +ATOM 168 O LEU E 99 -24.215 72.720 -40.144 1.00 31.89 O +ATOM 169 CB LEU E 99 -26.703 74.272 -38.862 1.00 40.96 C +ATOM 170 CG LEU E 99 -28.099 73.660 -38.622 1.00 42.47 C +ATOM 171 CD1 LEU E 99 -28.050 72.238 -38.073 1.00 41.95 C +ATOM 172 CD2 LEU E 99 -28.907 74.543 -37.685 1.00 42.56 C +ATOM 173 N THR E 100 -23.419 74.564 -39.127 1.00 31.70 N +ATOM 174 CA THR E 100 -22.273 74.690 -40.030 1.00 30.23 C +ATOM 175 C THR E 100 -21.279 73.540 -39.919 1.00 29.64 C +ATOM 176 O THR E 100 -20.474 73.327 -40.832 1.00 28.65 O +ATOM 177 CB THR E 100 -21.547 76.026 -39.811 1.00 29.80 C +ATOM 178 OG1 THR E 100 -21.284 76.197 -38.418 1.00 28.91 O +ATOM 179 CG2 THR E 100 -22.461 77.214 -40.170 1.00 32.82 C +ATOM 180 N ALA E 101 -21.328 72.798 -38.813 1.00 31.64 N +ATOM 181 CA ALA E 101 -20.383 71.692 -38.585 1.00 30.41 C +ATOM 182 C ALA E 101 -20.540 70.586 -39.618 1.00 30.51 C +ATOM 183 O ALA E 101 -19.549 70.060 -40.137 1.00 36.22 O +ATOM 184 CB ALA E 101 -20.533 71.142 -37.188 1.00 31.50 C +ATOM 185 N GLU E 102 -21.789 70.251 -39.915 1.00 26.24 N +ATOM 186 CA GLU E 102 -22.139 69.294 -40.968 1.00 31.18 C +ATOM 187 C GLU E 102 -21.672 67.864 -40.690 1.00 28.87 C +ATOM 188 O GLU E 102 -21.443 67.084 -41.613 1.00 29.09 O +ATOM 189 CB GLU E 102 -21.656 69.781 -42.341 1.00 35.91 C +ATOM 190 CG GLU E 102 -22.787 70.167 -43.273 1.00 43.14 C +ATOM 191 CD GLU E 102 -22.488 71.417 -44.078 1.00 44.86 C +ATOM 192 OE1 GLU E 102 -21.460 71.445 -44.797 1.00 33.74 O +ATOM 193 OE2 GLU E 102 -23.287 72.374 -43.978 1.00 50.15 O +ATOM 194 N VAL E 103 -21.516 67.541 -39.411 1.00 25.14 N +ATOM 195 CA VAL E 103 -21.248 66.183 -38.975 1.00 23.09 C +ATOM 196 C VAL E 103 -22.394 65.837 -38.044 1.00 20.08 C +ATOM 197 O VAL E 103 -22.675 66.591 -37.108 1.00 21.62 O +ATOM 198 CB VAL E 103 -19.900 66.044 -38.223 1.00 23.11 C +ATOM 199 CG1 VAL E 103 -19.706 64.626 -37.732 1.00 20.68 C +ATOM 200 CG2 VAL E 103 -18.727 66.444 -39.114 1.00 21.88 C +ATOM 201 N PRO E 104 -23.057 64.716 -38.321 1.00 18.24 N +ATOM 202 CA PRO E 104 -24.210 64.279 -37.533 1.00 18.83 C +ATOM 203 C PRO E 104 -23.844 64.053 -36.065 1.00 19.17 C +ATOM 204 O PRO E 104 -22.928 63.292 -35.763 1.00 23.76 O +ATOM 205 CB PRO E 104 -24.608 62.938 -38.186 1.00 16.01 C +ATOM 206 CG PRO E 104 -23.957 62.933 -39.542 1.00 18.61 C +ATOM 207 CD PRO E 104 -22.740 63.785 -39.428 1.00 16.02 C +ATOM 208 N PRO E 105 -24.551 64.738 -35.177 1.00 18.64 N +ATOM 209 CA PRO E 105 -24.475 64.492 -33.740 1.00 16.95 C +ATOM 210 C PRO E 105 -24.631 63.017 -33.370 1.00 18.91 C +ATOM 211 O PRO E 105 -23.919 62.536 -32.510 1.00 17.09 O +ATOM 212 CB PRO E 105 -25.671 65.281 -33.214 1.00 16.22 C +ATOM 213 CG PRO E 105 -25.746 66.441 -34.140 1.00 15.85 C +ATOM 214 CD PRO E 105 -25.483 65.847 -35.491 1.00 19.51 C +ATOM 215 N GLU E 106 -25.575 62.330 -33.997 1.00 14.62 N +ATOM 216 CA GLU E 106 -25.816 60.938 -33.697 1.00 19.46 C +ATOM 217 C GLU E 106 -24.543 60.121 -33.882 1.00 21.54 C +ATOM 218 O GLU E 106 -24.241 59.277 -33.049 1.00 20.30 O +ATOM 219 CB GLU E 106 -26.969 60.388 -34.532 1.00 21.67 C +ATOM 220 CG GLU E 106 -28.339 60.782 -33.981 1.00 24.48 C +ATOM 221 CD GLU E 106 -29.485 60.587 -34.974 1.00 32.31 C +ATOM 222 OE1 GLU E 106 -29.395 59.689 -35.838 1.00 35.74 O +ATOM 223 OE2 GLU E 106 -30.502 61.316 -34.876 1.00 30.96 O +ATOM 224 N LEU E 107 -23.787 60.420 -34.935 1.00 18.46 N +ATOM 225 CA LEU E 107 -22.511 59.758 -35.207 1.00 21.70 C +ATOM 226 C LEU E 107 -21.457 60.157 -34.187 1.00 24.58 C +ATOM 227 O LEU E 107 -20.691 59.313 -33.703 1.00 21.90 O +ATOM 228 CB LEU E 107 -22.030 60.114 -36.610 1.00 21.06 C +ATOM 229 CG LEU E 107 -22.067 59.066 -37.730 1.00 27.05 C +ATOM 230 CD1 LEU E 107 -23.198 58.049 -37.602 1.00 24.83 C +ATOM 231 CD2 LEU E 107 -22.052 59.723 -39.095 1.00 22.84 C +ATOM 232 N LEU E 108 -21.428 61.445 -33.847 1.00 20.78 N +ATOM 233 CA LEU E 108 -20.467 61.935 -32.878 1.00 20.18 C +ATOM 234 C LEU E 108 -20.694 61.305 -31.509 1.00 19.87 C +ATOM 235 O LEU E 108 -19.744 60.865 -30.860 1.00 20.11 O +ATOM 236 CB LEU E 108 -20.525 63.452 -32.784 1.00 19.64 C +ATOM 237 CG LEU E 108 -19.861 64.168 -33.956 1.00 18.24 C +ATOM 238 CD1 LEU E 108 -20.430 65.561 -34.074 1.00 18.84 C +ATOM 239 CD2 LEU E 108 -18.364 64.223 -33.770 1.00 13.79 C +ATOM 240 N ALA E 109 -21.952 61.242 -31.085 1.00 18.81 N +ATOM 241 CA ALA E 109 -22.291 60.689 -29.774 1.00 17.98 C +ATOM 242 C ALA E 109 -22.025 59.181 -29.707 1.00 20.30 C +ATOM 243 O ALA E 109 -21.476 58.676 -28.714 1.00 21.16 O +ATOM 244 CB ALA E 109 -23.744 61.016 -29.411 1.00 14.82 C +ATOM 245 N ALA E 110 -22.397 58.467 -30.767 1.00 20.38 N +ATOM 246 CA ALA E 110 -22.071 57.046 -30.879 1.00 21.68 C +ATOM 247 C ALA E 110 -20.560 56.791 -30.802 1.00 21.53 C +ATOM 248 O ALA E 110 -20.146 55.780 -30.262 1.00 21.78 O +ATOM 249 CB ALA E 110 -22.643 56.463 -32.171 1.00 18.96 C +ATOM 250 N ALA E 111 -19.755 57.709 -31.343 1.00 17.28 N +ATOM 251 CA ALA E 111 -18.294 57.580 -31.345 1.00 19.67 C +ATOM 252 C ALA E 111 -17.643 58.049 -30.034 1.00 20.43 C +ATOM 253 O ALA E 111 -16.421 58.160 -29.943 1.00 16.60 O +ATOM 254 CB ALA E 111 -17.685 58.329 -32.537 1.00 15.65 C +ATOM 255 N GLY E 112 -18.467 58.314 -29.026 1.00 16.66 N +ATOM 256 CA GLY E 112 -17.977 58.593 -27.687 1.00 18.58 C +ATOM 257 C GLY E 112 -17.939 60.074 -27.372 1.00 21.47 C +ATOM 258 O GLY E 112 -17.574 60.468 -26.259 1.00 20.05 O +ATOM 259 N PHE E 113 -18.325 60.900 -28.341 1.00 18.18 N +ATOM 260 CA PHE E 113 -18.140 62.343 -28.190 1.00 16.59 C +ATOM 261 C PHE E 113 -19.361 63.048 -27.648 1.00 19.24 C +ATOM 262 O PHE E 113 -20.484 62.777 -28.072 1.00 18.43 O +ATOM 263 CB PHE E 113 -17.762 62.979 -29.520 1.00 12.55 C +ATOM 264 CG PHE E 113 -16.450 62.517 -30.053 1.00 15.74 C +ATOM 265 CD1 PHE E 113 -15.259 62.910 -29.453 1.00 13.87 C +ATOM 266 CD2 PHE E 113 -16.402 61.689 -31.158 1.00 17.36 C +ATOM 267 CE1 PHE E 113 -14.040 62.472 -29.963 1.00 15.33 C +ATOM 268 CE2 PHE E 113 -15.178 61.249 -31.669 1.00 21.51 C +ATOM 269 CZ PHE E 113 -14.003 61.650 -31.059 1.00 16.42 C +ATOM 270 N PHE E 114 -19.133 63.994 -26.746 1.00 19.71 N +ATOM 271 CA PHE E 114 -20.178 64.930 -26.376 1.00 17.77 C +ATOM 272 C PHE E 114 -19.753 66.338 -26.750 1.00 19.47 C +ATOM 273 O PHE E 114 -18.568 66.629 -26.899 1.00 21.48 O +ATOM 274 CB PHE E 114 -20.513 64.845 -24.880 1.00 20.23 C +ATOM 275 CG PHE E 114 -19.365 65.191 -23.984 1.00 21.40 C +ATOM 276 CD1 PHE E 114 -19.157 66.508 -23.578 1.00 20.52 C +ATOM 277 CD2 PHE E 114 -18.481 64.198 -23.548 1.00 20.19 C +ATOM 278 CE1 PHE E 114 -18.064 66.842 -22.752 1.00 21.35 C +ATOM 279 CE2 PHE E 114 -17.392 64.520 -22.719 1.00 20.26 C +ATOM 280 CZ PHE E 114 -17.185 65.843 -22.327 1.00 20.55 C +ATOM 281 N HIS E 115 -20.738 67.213 -26.891 1.00 15.86 N +ATOM 282 CA HIS E 115 -20.484 68.594 -27.253 1.00 20.45 C +ATOM 283 C HIS E 115 -20.053 69.382 -26.017 1.00 16.42 C +ATOM 284 O HIS E 115 -20.711 69.326 -24.984 1.00 19.04 O +ATOM 285 CB HIS E 115 -21.749 69.194 -27.865 1.00 18.72 C +ATOM 286 CG HIS E 115 -21.550 70.546 -28.457 1.00 19.60 C +ATOM 287 ND1 HIS E 115 -22.595 71.415 -28.681 1.00 18.56 N +ATOM 288 CD2 HIS E 115 -20.433 71.174 -28.897 1.00 16.48 C +ATOM 289 CE1 HIS E 115 -22.129 72.525 -29.225 1.00 20.64 C +ATOM 290 NE2 HIS E 115 -20.822 72.396 -29.380 1.00 18.90 N +ATOM 291 N THR E 116 -18.943 70.102 -26.111 1.00 19.53 N +ATOM 292 CA THR E 116 -18.512 70.942 -24.979 1.00 29.43 C +ATOM 293 C THR E 116 -19.424 72.158 -24.796 1.00 34.72 C +ATOM 294 O THR E 116 -19.535 72.702 -23.692 1.00 38.53 O +ATOM 295 CB THR E 116 -17.098 71.431 -25.172 1.00 28.92 C +ATOM 296 OG1 THR E 116 -17.049 72.235 -26.367 1.00 29.21 O +ATOM 297 CG2 THR E 116 -16.137 70.250 -25.418 1.00 28.01 C +ATOM 298 N GLY E 117 -20.087 72.562 -25.877 1.00 38.46 N +ATOM 299 CA GLY E 117 -20.940 73.737 -25.875 1.00 41.28 C +ATOM 300 C GLY E 117 -20.255 74.892 -26.570 1.00 43.60 C +ATOM 301 O GLY E 117 -20.914 75.785 -27.099 1.00 47.53 O +ATOM 302 N HIS E 118 -18.927 74.878 -26.563 1.00 45.35 N +ATOM 303 CA HIS E 118 -18.154 75.905 -27.248 1.00 49.38 C +ATOM 304 C HIS E 118 -17.856 75.499 -28.689 1.00 43.75 C +ATOM 305 O HIS E 118 -17.223 74.465 -28.939 1.00 36.83 O +ATOM 306 CB HIS E 118 -16.872 76.229 -26.472 1.00 59.87 C +ATOM 307 CG HIS E 118 -17.126 76.831 -25.121 1.00 68.59 C +ATOM 308 ND1 HIS E 118 -18.301 77.484 -24.804 1.00 71.37 N +ATOM 309 CD2 HIS E 118 -16.360 76.874 -24.004 1.00 69.89 C +ATOM 310 CE1 HIS E 118 -18.248 77.898 -23.550 1.00 71.77 C +ATOM 311 NE2 HIS E 118 -17.080 77.544 -23.043 1.00 71.75 N +ATOM 312 N GLN E 119 -18.353 76.311 -29.626 1.00 40.09 N +ATOM 313 CA GLN E 119 -18.142 76.109 -31.059 1.00 37.75 C +ATOM 314 C GLN E 119 -18.574 74.703 -31.470 1.00 33.13 C +ATOM 315 O GLN E 119 -19.664 74.249 -31.112 1.00 29.80 O +ATOM 316 CB GLN E 119 -16.670 76.361 -31.429 1.00 45.09 C +ATOM 317 CG GLN E 119 -16.279 77.836 -31.532 1.00 54.23 C +ATOM 318 CD GLN E 119 -15.909 78.443 -30.190 1.00 59.86 C +ATOM 319 OE1 GLN E 119 -14.840 78.152 -29.641 1.00 62.91 O +ATOM 320 NE2 GLN E 119 -16.790 79.287 -29.659 1.00 60.20 N +ATOM 321 N ASP E 120 -17.702 74.004 -32.189 1.00 29.42 N +ATOM 322 CA ASP E 120 -17.966 72.632 -32.574 1.00 27.76 C +ATOM 323 C ASP E 120 -16.994 71.681 -31.874 1.00 26.80 C +ATOM 324 O ASP E 120 -16.651 70.616 -32.400 1.00 28.71 O +ATOM 325 CB ASP E 120 -17.897 72.490 -34.101 1.00 25.30 C +ATOM 326 CG ASP E 120 -16.500 72.654 -34.642 1.00 27.84 C +ATOM 327 OD1 ASP E 120 -15.608 73.187 -33.929 1.00 29.36 O +ATOM 328 OD2 ASP E 120 -16.200 72.259 -35.784 1.00 28.56 O +ATOM 329 N LYS E 121 -16.547 72.083 -30.690 1.00 23.34 N +ATOM 330 CA LYS E 121 -15.631 71.278 -29.904 1.00 25.65 C +ATOM 331 C LYS E 121 -16.382 70.140 -29.228 1.00 23.03 C +ATOM 332 O LYS E 121 -17.380 70.350 -28.530 1.00 24.14 O +ATOM 333 CB LYS E 121 -14.908 72.126 -28.857 1.00 32.74 C +ATOM 334 CG LYS E 121 -13.483 71.647 -28.549 1.00 42.78 C +ATOM 335 CD LYS E 121 -13.104 71.845 -27.082 1.00 48.40 C +ATOM 336 CE LYS E 121 -12.030 72.907 -26.913 1.00 52.72 C +ATOM 337 NZ LYS E 121 -11.930 73.394 -25.501 1.00 55.51 N +ATOM 338 N VAL E 122 -15.913 68.924 -29.468 1.00 18.89 N +ATOM 339 CA VAL E 122 -16.459 67.764 -28.794 1.00 21.48 C +ATOM 340 C VAL E 122 -15.368 67.078 -28.012 1.00 23.05 C +ATOM 341 O VAL E 122 -14.173 67.330 -28.210 1.00 22.91 O +ATOM 342 CB VAL E 122 -17.102 66.753 -29.765 1.00 21.05 C +ATOM 343 CG1 VAL E 122 -18.174 67.422 -30.589 1.00 16.34 C +ATOM 344 CG2 VAL E 122 -16.053 66.097 -30.636 1.00 20.73 C +ATOM 345 N ARG E 123 -15.783 66.189 -27.126 1.00 19.69 N +ATOM 346 CA ARG E 123 -14.824 65.499 -26.301 1.00 17.66 C +ATOM 347 C ARG E 123 -15.312 64.093 -26.046 1.00 16.40 C +ATOM 348 O ARG E 123 -16.488 63.876 -25.796 1.00 14.82 O +ATOM 349 CB ARG E 123 -14.623 66.244 -24.983 1.00 16.05 C +ATOM 350 CG ARG E 123 -13.443 65.739 -24.183 1.00 22.42 C +ATOM 351 CD ARG E 123 -13.225 66.465 -22.854 1.00 22.85 C +ATOM 352 NE ARG E 123 -13.003 67.904 -23.013 1.00 23.76 N +ATOM 353 CZ ARG E 123 -11.899 68.457 -23.513 1.00 27.76 C +ATOM 354 NH1 ARG E 123 -10.881 67.697 -23.927 1.00 25.98 N +ATOM 355 NH2 ARG E 123 -11.813 69.784 -23.605 1.00 26.60 N +ATOM 356 N CYS E 124 -14.395 63.140 -26.121 1.00 16.57 N +ATOM 357 CA CYS E 124 -14.723 61.775 -25.836 1.00 15.49 C +ATOM 358 C CYS E 124 -14.854 61.593 -24.337 1.00 17.47 C +ATOM 359 O CYS E 124 -13.985 62.014 -23.592 1.00 16.07 O +ATOM 360 CB CYS E 124 -13.636 60.839 -26.377 1.00 13.50 C +ATOM 361 SG CYS E 124 -14.016 59.156 -25.878 1.00 19.98 S +ATOM 362 N PHE E 125 -15.944 60.973 -23.899 1.00 15.10 N +ATOM 363 CA PHE E 125 -16.158 60.710 -22.478 1.00 17.40 C +ATOM 364 C PHE E 125 -15.096 59.771 -21.900 1.00 19.58 C +ATOM 365 O PHE E 125 -14.800 59.824 -20.702 1.00 17.80 O +ATOM 366 CB PHE E 125 -17.549 60.105 -22.231 1.00 14.19 C +ATOM 367 CG PHE E 125 -17.612 58.603 -22.401 1.00 18.18 C +ATOM 368 CD1 PHE E 125 -17.817 58.045 -23.649 1.00 19.39 C +ATOM 369 CD2 PHE E 125 -17.493 57.755 -21.305 1.00 16.78 C +ATOM 370 CE1 PHE E 125 -17.892 56.659 -23.817 1.00 19.32 C +ATOM 371 CE2 PHE E 125 -17.567 56.380 -21.454 1.00 18.60 C +ATOM 372 CZ PHE E 125 -17.764 55.820 -22.723 1.00 17.60 C +ATOM 373 N PHE E 126 -14.544 58.903 -22.743 1.00 19.86 N +ATOM 374 CA PHE E 126 -13.661 57.868 -22.237 1.00 17.78 C +ATOM 375 C PHE E 126 -12.227 58.352 -22.142 1.00 16.99 C +ATOM 376 O PHE E 126 -11.641 58.303 -21.069 1.00 18.31 O +ATOM 377 CB PHE E 126 -13.783 56.541 -22.994 1.00 18.54 C +ATOM 378 CG PHE E 126 -13.203 55.373 -22.228 1.00 19.26 C +ATOM 379 CD1 PHE E 126 -11.827 55.162 -22.199 1.00 19.71 C +ATOM 380 CD2 PHE E 126 -14.025 54.529 -21.488 1.00 19.30 C +ATOM 381 CE1 PHE E 126 -11.273 54.120 -21.441 1.00 19.54 C +ATOM 382 CE2 PHE E 126 -13.483 53.470 -20.737 1.00 21.86 C +ATOM 383 CZ PHE E 126 -12.089 53.285 -20.718 1.00 22.41 C +ATOM 384 N CYS E 127 -11.683 58.851 -23.247 1.00 17.23 N +ATOM 385 CA CYS E 127 -10.285 59.264 -23.277 1.00 21.84 C +ATOM 386 C CYS E 127 -10.125 60.760 -23.033 1.00 22.24 C +ATOM 387 O CYS E 127 -9.003 61.242 -22.869 1.00 22.70 O +ATOM 388 CB CYS E 127 -9.628 58.866 -24.601 1.00 19.98 C +ATOM 389 SG CYS E 127 -10.236 59.761 -26.063 1.00 21.68 S +ATOM 390 N TYR E 128 -11.248 61.483 -23.028 1.00 19.73 N +ATOM 391 CA TYR E 128 -11.258 62.938 -22.810 1.00 21.60 C +ATOM 392 C TYR E 128 -10.561 63.704 -23.938 1.00 18.96 C +ATOM 393 O TYR E 128 -10.293 64.900 -23.813 1.00 20.48 O +ATOM 394 CB TYR E 128 -10.670 63.301 -21.435 1.00 21.77 C +ATOM 395 CG TYR E 128 -11.421 64.388 -20.684 1.00 22.02 C +ATOM 396 CD1 TYR E 128 -12.725 64.181 -20.216 1.00 24.24 C +ATOM 397 CD2 TYR E 128 -10.822 65.616 -20.429 1.00 20.95 C +ATOM 398 CE1 TYR E 128 -13.411 65.181 -19.523 1.00 23.72 C +ATOM 399 CE2 TYR E 128 -11.504 66.625 -19.741 1.00 19.26 C +ATOM 400 CZ TYR E 128 -12.782 66.403 -19.289 1.00 21.57 C +ATOM 401 OH TYR E 128 -13.430 67.397 -18.604 1.00 21.91 O +ATOM 402 N GLY E 129 -10.306 63.020 -25.055 1.00 20.15 N +ATOM 403 CA GLY E 129 -9.781 63.672 -26.244 1.00 18.61 C +ATOM 404 C GLY E 129 -10.777 64.667 -26.853 1.00 20.93 C +ATOM 405 O GLY E 129 -11.962 64.361 -27.053 1.00 20.63 O +ATOM 406 N GLY E 130 -10.287 65.863 -27.130 1.00 21.29 N +ATOM 407 CA GLY E 130 -11.087 66.942 -27.675 1.00 19.94 C +ATOM 408 C GLY E 130 -10.814 67.071 -29.162 1.00 24.31 C +ATOM 409 O GLY E 130 -9.671 66.954 -29.607 1.00 23.77 O +ATOM 410 N LEU E 131 -11.877 67.296 -29.929 1.00 22.97 N +ATOM 411 CA LEU E 131 -11.786 67.516 -31.366 1.00 23.62 C +ATOM 412 C LEU E 131 -12.734 68.638 -31.764 1.00 27.38 C +ATOM 413 O LEU E 131 -13.830 68.788 -31.201 1.00 26.12 O +ATOM 414 CB LEU E 131 -12.133 66.237 -32.151 1.00 25.66 C +ATOM 415 CG LEU E 131 -11.225 65.001 -32.035 1.00 27.59 C +ATOM 416 CD1 LEU E 131 -11.909 63.776 -32.618 1.00 22.52 C +ATOM 417 CD2 LEU E 131 -9.877 65.223 -32.708 1.00 26.54 C +ATOM 418 N GLN E 132 -12.289 69.434 -32.726 1.00 29.50 N +ATOM 419 CA GLN E 132 -13.028 70.594 -33.194 1.00 31.60 C +ATOM 420 C GLN E 132 -12.745 70.764 -34.676 1.00 29.45 C +ATOM 421 O GLN E 132 -11.993 69.971 -35.243 1.00 27.47 O +ATOM 422 CB GLN E 132 -12.620 71.840 -32.400 1.00 35.84 C +ATOM 423 CG GLN E 132 -11.245 72.392 -32.738 1.00 43.68 C +ATOM 424 CD GLN E 132 -10.789 73.453 -31.752 1.00 50.85 C +ATOM 425 OE1 GLN E 132 -9.742 73.307 -31.127 1.00 55.41 O +ATOM 426 NE2 GLN E 132 -11.568 74.522 -31.617 1.00 52.20 N +ATOM 427 N SER E 133 -13.342 71.793 -35.291 1.00 30.93 N +ATOM 428 CA SER E 133 -13.192 72.071 -36.731 1.00 30.91 C +ATOM 429 C SER E 133 -13.679 70.905 -37.573 1.00 29.01 C +ATOM 430 O SER E 133 -12.982 70.410 -38.460 1.00 28.93 O +ATOM 431 CB SER E 133 -11.750 72.444 -37.087 1.00 34.37 C +ATOM 432 OG SER E 133 -11.196 73.274 -36.084 1.00 38.61 O +ATOM 433 N TRP E 134 -14.893 70.465 -37.273 1.00 27.94 N +ATOM 434 CA TRP E 134 -15.501 69.369 -37.994 1.00 28.22 C +ATOM 435 C TRP E 134 -15.958 69.843 -39.359 1.00 30.59 C +ATOM 436 O TRP E 134 -16.472 70.951 -39.501 1.00 30.48 O +ATOM 437 CB TRP E 134 -16.666 68.807 -37.185 1.00 23.34 C +ATOM 438 CG TRP E 134 -16.180 68.133 -35.955 1.00 21.88 C +ATOM 439 CD1 TRP E 134 -15.914 68.719 -34.746 1.00 21.50 C +ATOM 440 CD2 TRP E 134 -15.861 66.747 -35.806 1.00 21.93 C +ATOM 441 NE1 TRP E 134 -15.462 67.777 -33.853 1.00 20.40 N +ATOM 442 CE2 TRP E 134 -15.419 66.557 -34.477 1.00 21.32 C +ATOM 443 CE3 TRP E 134 -15.899 65.637 -36.663 1.00 23.88 C +ATOM 444 CZ2 TRP E 134 -15.026 65.310 -33.988 1.00 20.01 C +ATOM 445 CZ3 TRP E 134 -15.509 64.406 -36.179 1.00 21.87 C +ATOM 446 CH2 TRP E 134 -15.078 64.249 -34.848 1.00 19.89 C +ATOM 447 N LYS E 135 -15.737 69.007 -40.364 1.00 33.09 N +ATOM 448 CA LYS E 135 -16.117 69.322 -41.732 1.00 35.64 C +ATOM 449 C LYS E 135 -16.980 68.194 -42.258 1.00 33.15 C +ATOM 450 O LYS E 135 -16.811 67.037 -41.860 1.00 28.88 O +ATOM 451 CB LYS E 135 -14.873 69.460 -42.609 1.00 41.23 C +ATOM 452 CG LYS E 135 -14.046 70.709 -42.337 1.00 49.61 C +ATOM 453 CD LYS E 135 -12.553 70.438 -42.527 1.00 57.05 C +ATOM 454 CE LYS E 135 -11.691 71.519 -41.851 1.00 61.17 C +ATOM 455 NZ LYS E 135 -10.810 70.977 -40.761 1.00 60.63 N +ATOM 456 N ARG E 136 -17.899 68.530 -43.159 1.00 32.56 N +ATOM 457 CA ARG E 136 -18.725 67.533 -43.833 1.00 31.66 C +ATOM 458 C ARG E 136 -17.864 66.370 -44.320 1.00 29.58 C +ATOM 459 O ARG E 136 -16.834 66.572 -44.954 1.00 29.54 O +ATOM 460 CB ARG E 136 -19.469 68.171 -45.008 1.00 34.75 C +ATOM 461 CG ARG E 136 -20.552 67.303 -45.595 1.00 39.51 C +ATOM 462 CD ARG E 136 -21.285 67.932 -46.768 1.00 45.88 C +ATOM 463 NE ARG E 136 -22.224 66.981 -47.354 1.00 50.78 N +ATOM 464 CZ ARG E 136 -23.530 66.996 -47.140 1.00 54.90 C +ATOM 465 NH1 ARG E 136 -24.068 67.927 -46.353 1.00 60.54 N +ATOM 466 NH2 ARG E 136 -24.306 66.085 -47.712 1.00 53.27 N +ATOM 467 N GLY E 137 -18.278 65.153 -43.994 1.00 27.92 N +ATOM 468 CA GLY E 137 -17.535 63.985 -44.411 1.00 31.57 C +ATOM 469 C GLY E 137 -16.577 63.452 -43.357 1.00 29.88 C +ATOM 470 O GLY E 137 -16.113 62.332 -43.483 1.00 28.63 O +ATOM 471 N ASP E 138 -16.269 64.242 -42.330 1.00 29.09 N +ATOM 472 CA ASP E 138 -15.475 63.726 -41.218 1.00 27.50 C +ATOM 473 C ASP E 138 -16.226 62.559 -40.602 1.00 28.94 C +ATOM 474 O ASP E 138 -17.430 62.644 -40.350 1.00 29.70 O +ATOM 475 CB ASP E 138 -15.221 64.795 -40.170 1.00 26.48 C +ATOM 476 CG ASP E 138 -14.232 65.840 -40.633 1.00 32.42 C +ATOM 477 OD1 ASP E 138 -13.584 65.628 -41.685 1.00 32.34 O +ATOM 478 OD2 ASP E 138 -14.048 66.910 -40.008 1.00 31.28 O +ATOM 479 N ASP E 139 -15.525 61.449 -40.416 1.00 26.72 N +ATOM 480 CA ASP E 139 -16.114 60.320 -39.736 1.00 23.52 C +ATOM 481 C ASP E 139 -15.628 60.330 -38.298 1.00 22.02 C +ATOM 482 O ASP E 139 -14.433 60.164 -38.052 1.00 27.12 O +ATOM 483 CB ASP E 139 -15.767 59.008 -40.430 1.00 26.39 C +ATOM 484 CG ASP E 139 -16.410 57.821 -39.754 1.00 27.56 C +ATOM 485 OD1 ASP E 139 -17.650 57.676 -39.657 1.00 32.62 O +ATOM 486 OD2 ASP E 139 -15.672 56.965 -39.244 1.00 28.52 O +ATOM 487 N PRO E 140 -16.539 60.562 -37.351 1.00 20.76 N +ATOM 488 CA PRO E 140 -16.189 60.612 -35.923 1.00 18.97 C +ATOM 489 C PRO E 140 -15.326 59.440 -35.442 1.00 19.52 C +ATOM 490 O PRO E 140 -14.310 59.681 -34.796 1.00 18.30 O +ATOM 491 CB PRO E 140 -17.554 60.623 -35.235 1.00 19.17 C +ATOM 492 CG PRO E 140 -18.427 61.352 -36.228 1.00 21.68 C +ATOM 493 CD PRO E 140 -17.968 60.846 -37.577 1.00 19.73 C +ATOM 494 N TRP E 141 -15.699 58.205 -35.762 1.00 20.19 N +ATOM 495 CA TRP E 141 -14.886 57.056 -35.345 1.00 21.71 C +ATOM 496 C TRP E 141 -13.477 57.131 -35.916 1.00 22.15 C +ATOM 497 O TRP E 141 -12.494 56.894 -35.210 1.00 26.25 O +ATOM 498 CB TRP E 141 -15.519 55.753 -35.795 1.00 18.58 C +ATOM 499 CG TRP E 141 -16.554 55.209 -34.883 1.00 19.06 C +ATOM 500 CD1 TRP E 141 -17.798 54.763 -35.240 1.00 18.11 C +ATOM 501 CD2 TRP E 141 -16.447 55.006 -33.468 1.00 12.59 C +ATOM 502 NE1 TRP E 141 -18.461 54.297 -34.132 1.00 18.55 N +ATOM 503 CE2 TRP E 141 -17.653 54.440 -33.034 1.00 15.66 C +ATOM 504 CE3 TRP E 141 -15.452 55.255 -32.523 1.00 15.47 C +ATOM 505 CZ2 TRP E 141 -17.885 54.106 -31.705 1.00 17.46 C +ATOM 506 CZ3 TRP E 141 -15.682 54.936 -31.220 1.00 16.33 C +ATOM 507 CH2 TRP E 141 -16.892 54.369 -30.815 1.00 19.21 C +ATOM 508 N THR E 142 -13.387 57.457 -37.199 1.00 24.20 N +ATOM 509 CA THR E 142 -12.096 57.561 -37.882 1.00 26.33 C +ATOM 510 C THR E 142 -11.239 58.650 -37.264 1.00 25.23 C +ATOM 511 O THR E 142 -10.046 58.431 -36.987 1.00 26.60 O +ATOM 512 CB THR E 142 -12.312 57.832 -39.381 1.00 26.81 C +ATOM 513 OG1 THR E 142 -13.048 56.743 -39.945 1.00 27.71 O +ATOM 514 CG2 THR E 142 -10.987 57.813 -40.140 1.00 24.44 C +ATOM 515 N GLU E 143 -11.848 59.818 -37.037 1.00 23.67 N +ATOM 516 CA GLU E 143 -11.172 60.921 -36.359 1.00 22.33 C +ATOM 517 C GLU E 143 -10.746 60.490 -34.964 1.00 22.80 C +ATOM 518 O GLU E 143 -9.644 60.794 -34.520 1.00 24.51 O +ATOM 519 CB GLU E 143 -12.074 62.160 -36.271 1.00 23.10 C +ATOM 520 CG GLU E 143 -12.393 62.813 -37.606 1.00 27.05 C +ATOM 521 CD GLU E 143 -11.169 63.000 -38.480 1.00 24.60 C +ATOM 522 OE1 GLU E 143 -10.227 63.675 -38.048 1.00 26.38 O +ATOM 523 OE2 GLU E 143 -11.151 62.468 -39.605 1.00 32.65 O +ATOM 524 N HIS E 144 -11.636 59.788 -34.276 1.00 24.67 N +ATOM 525 CA HIS E 144 -11.340 59.258 -32.949 1.00 26.01 C +ATOM 526 C HIS E 144 -10.093 58.372 -33.022 1.00 26.49 C +ATOM 527 O HIS E 144 -9.207 58.468 -32.175 1.00 25.42 O +ATOM 528 CB HIS E 144 -12.530 58.455 -32.425 1.00 15.45 C +ATOM 529 CG HIS E 144 -12.633 58.416 -30.931 1.00 19.55 C +ATOM 530 ND1 HIS E 144 -13.844 58.282 -30.278 1.00 18.52 N +ATOM 531 CD2 HIS E 144 -11.684 58.474 -29.963 1.00 15.55 C +ATOM 532 CE1 HIS E 144 -13.633 58.268 -28.973 1.00 19.96 C +ATOM 533 NE2 HIS E 144 -12.332 58.394 -28.756 1.00 20.13 N +ATOM 534 N ALA E 145 -10.038 57.524 -34.049 1.00 25.96 N +ATOM 535 CA ALA E 145 -8.914 56.603 -34.254 1.00 26.02 C +ATOM 536 C ALA E 145 -7.635 57.318 -34.678 1.00 28.25 C +ATOM 537 O ALA E 145 -6.542 56.941 -34.244 1.00 26.36 O +ATOM 538 CB ALA E 145 -9.288 55.534 -35.252 1.00 20.01 C +ATOM 539 N LYS E 146 -7.773 58.358 -35.504 1.00 29.06 N +ATOM 540 CA LYS E 146 -6.623 59.150 -35.939 1.00 32.05 C +ATOM 541 C LYS E 146 -5.936 59.760 -34.738 1.00 31.63 C +ATOM 542 O LYS E 146 -4.722 59.663 -34.588 1.00 36.60 O +ATOM 543 CB LYS E 146 -7.041 60.297 -36.876 1.00 34.01 C +ATOM 544 CG LYS E 146 -7.408 59.913 -38.307 1.00 37.66 C +ATOM 545 CD LYS E 146 -7.428 61.150 -39.206 1.00 38.61 C +ATOM 546 CE LYS E 146 -8.109 60.872 -40.543 1.00 41.64 C +ATOM 547 NZ LYS E 146 -8.745 62.101 -41.126 1.00 38.80 N +ATOM 548 N TRP E 147 -6.734 60.382 -33.878 1.00 29.27 N +ATOM 549 CA TRP E 147 -6.219 61.294 -32.870 1.00 29.17 C +ATOM 550 C TRP E 147 -6.007 60.657 -31.509 1.00 29.12 C +ATOM 551 O TRP E 147 -5.059 61.010 -30.792 1.00 29.65 O +ATOM 552 CB TRP E 147 -7.142 62.500 -32.761 1.00 32.20 C +ATOM 553 CG TRP E 147 -7.090 63.352 -33.977 1.00 41.85 C +ATOM 554 CD1 TRP E 147 -8.002 63.399 -34.989 1.00 41.28 C +ATOM 555 CD2 TRP E 147 -6.062 64.282 -34.322 1.00 45.23 C +ATOM 556 NE1 TRP E 147 -7.612 64.308 -35.940 1.00 43.91 N +ATOM 557 CE2 TRP E 147 -6.420 64.864 -35.557 1.00 49.25 C +ATOM 558 CE3 TRP E 147 -4.864 64.685 -33.710 1.00 50.99 C +ATOM 559 CZ2 TRP E 147 -5.629 65.831 -36.192 1.00 54.48 C +ATOM 560 CZ3 TRP E 147 -4.077 65.647 -34.339 1.00 55.60 C +ATOM 561 CH2 TRP E 147 -4.466 66.211 -35.567 1.00 55.71 C +ATOM 562 N PHE E 148 -6.883 59.722 -31.145 1.00 26.07 N +ATOM 563 CA PHE E 148 -6.790 59.081 -29.828 1.00 24.33 C +ATOM 564 C PHE E 148 -6.873 57.556 -29.948 1.00 24.77 C +ATOM 565 O PHE E 148 -7.756 56.923 -29.361 1.00 24.80 O +ATOM 566 CB PHE E 148 -7.843 59.665 -28.855 1.00 24.23 C +ATOM 567 CG PHE E 148 -8.027 61.172 -28.985 1.00 26.43 C +ATOM 568 CD1 PHE E 148 -7.044 62.056 -28.543 1.00 27.50 C +ATOM 569 CD2 PHE E 148 -9.179 61.698 -29.560 1.00 26.78 C +ATOM 570 CE1 PHE E 148 -7.194 63.440 -28.682 1.00 29.06 C +ATOM 571 CE2 PHE E 148 -9.347 63.084 -29.694 1.00 27.90 C +ATOM 572 CZ PHE E 148 -8.348 63.955 -29.264 1.00 27.17 C +ATOM 573 N PRO E 149 -5.923 56.956 -30.676 1.00 23.94 N +ATOM 574 CA PRO E 149 -5.999 55.531 -31.018 1.00 20.75 C +ATOM 575 C PRO E 149 -5.994 54.605 -29.807 1.00 20.80 C +ATOM 576 O PRO E 149 -6.449 53.477 -29.921 1.00 23.34 O +ATOM 577 CB PRO E 149 -4.727 55.301 -31.866 1.00 23.19 C +ATOM 578 CG PRO E 149 -3.787 56.381 -31.459 1.00 23.28 C +ATOM 579 CD PRO E 149 -4.684 57.579 -31.202 1.00 25.71 C +ATOM 580 N SER E 150 -5.494 55.071 -28.671 1.00 22.44 N +ATOM 581 CA SER E 150 -5.417 54.226 -27.488 1.00 28.91 C +ATOM 582 C SER E 150 -6.668 54.321 -26.611 1.00 28.87 C +ATOM 583 O SER E 150 -6.732 53.695 -25.556 1.00 26.38 O +ATOM 584 CB SER E 150 -4.160 54.551 -26.677 1.00 35.66 C +ATOM 585 OG SER E 150 -4.308 55.783 -25.999 1.00 39.17 O +ATOM 586 N CYS E 151 -7.666 55.087 -27.050 1.00 27.03 N +ATOM 587 CA CYS E 151 -8.918 55.189 -26.309 1.00 23.76 C +ATOM 588 C CYS E 151 -9.574 53.826 -26.277 1.00 21.73 C +ATOM 589 O CYS E 151 -9.826 53.224 -27.328 1.00 22.86 O +ATOM 590 CB CYS E 151 -9.870 56.198 -26.967 1.00 22.52 C +ATOM 591 SG CYS E 151 -11.505 56.172 -26.220 1.00 19.69 S +ATOM 592 N GLN E 152 -9.847 53.337 -25.073 1.00 22.24 N +ATOM 593 CA GLN E 152 -10.349 51.985 -24.914 1.00 25.75 C +ATOM 594 C GLN E 152 -11.796 51.883 -25.341 1.00 26.54 C +ATOM 595 O GLN E 152 -12.240 50.832 -25.785 1.00 25.84 O +ATOM 596 CB GLN E 152 -10.199 51.505 -23.475 1.00 32.90 C +ATOM 597 CG GLN E 152 -8.777 51.163 -23.089 1.00 45.77 C +ATOM 598 CD GLN E 152 -8.622 50.987 -21.588 1.00 55.59 C +ATOM 599 OE1 GLN E 152 -9.287 50.138 -20.983 1.00 59.51 O +ATOM 600 NE2 GLN E 152 -7.759 51.797 -20.981 1.00 57.51 N +ATOM 601 N PHE E 153 -12.539 52.975 -25.209 1.00 21.38 N +ATOM 602 CA PHE E 153 -13.909 52.947 -25.673 1.00 22.67 C +ATOM 603 C PHE E 153 -13.901 52.779 -27.188 1.00 16.18 C +ATOM 604 O PHE E 153 -14.654 52.002 -27.729 1.00 19.92 O +ATOM 605 CB PHE E 153 -14.655 54.224 -25.271 1.00 18.64 C +ATOM 606 CG PHE E 153 -15.987 54.350 -25.913 1.00 17.07 C +ATOM 607 CD1 PHE E 153 -17.064 53.592 -25.453 1.00 19.70 C +ATOM 608 CD2 PHE E 153 -16.163 55.191 -27.000 1.00 15.56 C +ATOM 609 CE1 PHE E 153 -18.313 53.693 -26.050 1.00 21.08 C +ATOM 610 CE2 PHE E 153 -17.409 55.309 -27.608 1.00 17.40 C +ATOM 611 CZ PHE E 153 -18.485 54.568 -27.138 1.00 19.75 C +ATOM 612 N LEU E 154 -13.033 53.523 -27.860 1.00 17.31 N +ATOM 613 CA LEU E 154 -12.853 53.367 -29.294 1.00 19.55 C +ATOM 614 C LEU E 154 -12.403 51.937 -29.639 1.00 23.46 C +ATOM 615 O LEU E 154 -12.925 51.315 -30.578 1.00 21.53 O +ATOM 616 CB LEU E 154 -11.825 54.383 -29.793 1.00 16.58 C +ATOM 617 CG LEU E 154 -11.158 54.072 -31.140 1.00 20.07 C +ATOM 618 CD1 LEU E 154 -12.115 54.282 -32.310 1.00 19.23 C +ATOM 619 CD2 LEU E 154 -9.929 54.933 -31.296 1.00 20.14 C +ATOM 620 N LEU E 155 -11.450 51.414 -28.868 1.00 23.64 N +ATOM 621 CA LEU E 155 -10.922 50.089 -29.163 1.00 25.30 C +ATOM 622 C LEU E 155 -11.972 49.020 -28.981 1.00 24.49 C +ATOM 623 O LEU E 155 -12.092 48.144 -29.823 1.00 26.29 O +ATOM 624 CB LEU E 155 -9.669 49.779 -28.357 1.00 24.44 C +ATOM 625 CG LEU E 155 -8.431 50.519 -28.880 1.00 24.86 C +ATOM 626 CD1 LEU E 155 -7.404 50.643 -27.755 1.00 23.87 C +ATOM 627 CD2 LEU E 155 -7.823 49.819 -30.108 1.00 23.47 C +ATOM 628 N ARG E 156 -12.765 49.128 -27.920 1.00 25.27 N +ATOM 629 CA ARG E 156 -13.827 48.177 -27.677 1.00 30.12 C +ATOM 630 C ARG E 156 -14.905 48.297 -28.735 1.00 27.37 C +ATOM 631 O ARG E 156 -15.475 47.304 -29.145 1.00 26.42 O +ATOM 632 CB ARG E 156 -14.440 48.385 -26.297 1.00 39.02 C +ATOM 633 CG ARG E 156 -13.614 47.807 -25.147 1.00 54.45 C +ATOM 634 CD ARG E 156 -14.341 47.780 -23.792 1.00 64.66 C +ATOM 635 NE ARG E 156 -15.514 46.896 -23.798 1.00 73.18 N +ATOM 636 CZ ARG E 156 -16.285 46.636 -22.739 1.00 77.14 C +ATOM 637 NH1 ARG E 156 -16.026 47.190 -21.558 1.00 76.66 N +ATOM 638 NH2 ARG E 156 -17.323 45.814 -22.864 1.00 78.01 N +ATOM 639 N SER E 157 -15.196 49.525 -29.159 1.00 22.35 N +ATOM 640 CA SER E 157 -16.326 49.751 -30.048 1.00 22.60 C +ATOM 641 C SER E 157 -15.979 49.391 -31.471 1.00 18.29 C +ATOM 642 O SER E 157 -16.791 48.799 -32.176 1.00 25.68 O +ATOM 643 CB SER E 157 -16.774 51.209 -29.983 1.00 19.06 C +ATOM 644 OG SER E 157 -17.022 51.573 -28.636 1.00 21.26 O +ATOM 645 N LYS E 158 -14.767 49.741 -31.881 1.00 20.32 N +ATOM 646 CA LYS E 158 -14.384 49.617 -33.282 1.00 24.84 C +ATOM 647 C LYS E 158 -13.382 48.508 -33.545 1.00 26.57 C +ATOM 648 O LYS E 158 -13.194 48.122 -34.694 1.00 25.71 O +ATOM 649 CB LYS E 158 -13.845 50.941 -33.806 1.00 23.07 C +ATOM 650 CG LYS E 158 -14.911 52.031 -33.900 1.00 25.32 C +ATOM 651 CD LYS E 158 -16.020 51.666 -34.882 1.00 25.64 C +ATOM 652 CE LYS E 158 -15.586 51.938 -36.323 1.00 21.99 C +ATOM 653 NZ LYS E 158 -16.616 51.419 -37.231 1.00 27.43 N +ATOM 654 N GLY E 159 -12.752 48.003 -32.484 1.00 24.88 N +ATOM 655 CA GLY E 159 -11.763 46.943 -32.613 1.00 28.44 C +ATOM 656 C GLY E 159 -10.376 47.445 -32.974 1.00 29.27 C +ATOM 657 O GLY E 159 -10.204 48.515 -33.563 1.00 28.16 O +ATOM 658 N ARG E 160 -9.380 46.645 -32.612 1.00 31.85 N +ATOM 659 CA ARG E 160 -7.983 46.900 -32.931 1.00 32.12 C +ATOM 660 C ARG E 160 -7.721 47.116 -34.419 1.00 28.72 C +ATOM 661 O ARG E 160 -6.937 47.977 -34.782 1.00 27.89 O +ATOM 662 CB ARG E 160 -7.137 45.712 -32.475 1.00 40.45 C +ATOM 663 CG ARG E 160 -6.574 45.823 -31.081 1.00 51.51 C +ATOM 664 CD ARG E 160 -5.391 44.899 -30.845 1.00 61.06 C +ATOM 665 NE ARG E 160 -5.603 44.013 -29.705 1.00 68.00 N +ATOM 666 CZ ARG E 160 -6.072 42.771 -29.782 1.00 71.01 C +ATOM 667 NH1 ARG E 160 -6.398 42.230 -30.955 1.00 69.49 N +ATOM 668 NH2 ARG E 160 -6.220 42.067 -28.670 1.00 72.00 N +ATOM 669 N ASP E 161 -8.355 46.323 -35.276 1.00 25.90 N +ATOM 670 CA ASP E 161 -8.031 46.354 -36.704 1.00 29.94 C +ATOM 671 C ASP E 161 -8.370 47.699 -37.315 1.00 31.98 C +ATOM 672 O ASP E 161 -7.532 48.307 -37.995 1.00 29.83 O +ATOM 673 CB ASP E 161 -8.742 45.227 -37.447 1.00 32.70 C +ATOM 674 CG ASP E 161 -8.233 43.849 -37.045 1.00 33.78 C +ATOM 675 OD1 ASP E 161 -7.278 43.755 -36.246 1.00 36.33 O +ATOM 676 OD2 ASP E 161 -8.745 42.802 -37.469 1.00 33.90 O +ATOM 677 N PHE E 162 -9.589 48.172 -37.030 1.00 32.81 N +ATOM 678 CA PHE E 162 -10.028 49.501 -37.445 1.00 27.49 C +ATOM 679 C PHE E 162 -9.018 50.557 -37.036 1.00 24.54 C +ATOM 680 O PHE E 162 -8.589 51.367 -37.853 1.00 28.77 O +ATOM 681 CB PHE E 162 -11.405 49.841 -36.855 1.00 30.91 C +ATOM 682 CG PHE E 162 -11.878 51.225 -37.205 1.00 31.88 C +ATOM 683 CD1 PHE E 162 -12.455 51.481 -38.452 1.00 29.49 C +ATOM 684 CD2 PHE E 162 -11.709 52.280 -36.309 1.00 30.42 C +ATOM 685 CE1 PHE E 162 -12.872 52.765 -38.794 1.00 30.55 C +ATOM 686 CE2 PHE E 162 -12.127 53.577 -36.639 1.00 29.10 C +ATOM 687 CZ PHE E 162 -12.707 53.817 -37.885 1.00 30.27 C +ATOM 688 N VAL E 163 -8.624 50.541 -35.767 1.00 27.27 N +ATOM 689 CA VAL E 163 -7.734 51.566 -35.241 1.00 26.52 C +ATOM 690 C VAL E 163 -6.359 51.453 -35.889 1.00 29.78 C +ATOM 691 O VAL E 163 -5.799 52.455 -36.337 1.00 29.59 O +ATOM 692 CB VAL E 163 -7.616 51.497 -33.713 1.00 23.84 C +ATOM 693 CG1 VAL E 163 -6.589 52.475 -33.235 1.00 20.69 C +ATOM 694 CG2 VAL E 163 -8.977 51.795 -33.054 1.00 22.64 C +ATOM 695 N HIS E 164 -5.827 50.233 -35.941 1.00 31.93 N +ATOM 696 CA HIS E 164 -4.568 49.971 -36.632 1.00 37.55 C +ATOM 697 C HIS E 164 -4.632 50.507 -38.057 1.00 36.34 C +ATOM 698 O HIS E 164 -3.738 51.226 -38.496 1.00 38.37 O +ATOM 699 CB HIS E 164 -4.270 48.473 -36.655 1.00 41.28 C +ATOM 700 CG HIS E 164 -2.851 48.149 -37.005 1.00 52.36 C +ATOM 701 ND1 HIS E 164 -2.414 48.029 -38.307 1.00 55.22 N +ATOM 702 CD2 HIS E 164 -1.769 47.920 -36.222 1.00 56.28 C +ATOM 703 CE1 HIS E 164 -1.125 47.742 -38.312 1.00 57.81 C +ATOM 704 NE2 HIS E 164 -0.710 47.669 -37.060 1.00 59.28 N +ATOM 705 N SER E 165 -5.714 50.167 -38.754 1.00 32.34 N +ATOM 706 CA SER E 165 -5.912 50.562 -40.134 1.00 37.21 C +ATOM 707 C SER E 165 -5.887 52.087 -40.310 1.00 38.93 C +ATOM 708 O SER E 165 -5.219 52.599 -41.205 1.00 39.50 O +ATOM 709 CB SER E 165 -7.216 49.954 -40.664 1.00 40.59 C +ATOM 710 OG SER E 165 -7.626 50.578 -41.866 1.00 50.47 O +ATOM 711 N VAL E 166 -6.612 52.801 -39.452 1.00 36.29 N +ATOM 712 CA VAL E 166 -6.644 54.258 -39.494 1.00 31.36 C +ATOM 713 C VAL E 166 -5.271 54.819 -39.138 1.00 34.11 C +ATOM 714 O VAL E 166 -4.812 55.764 -39.762 1.00 33.25 O +ATOM 715 CB VAL E 166 -7.715 54.832 -38.532 1.00 31.03 C +ATOM 716 CG1 VAL E 166 -7.556 56.349 -38.352 1.00 25.23 C +ATOM 717 CG2 VAL E 166 -9.127 54.471 -39.014 1.00 26.27 C +ATOM 718 N GLN E 167 -4.616 54.228 -38.142 1.00 38.21 N +ATOM 719 CA GLN E 167 -3.289 54.680 -37.728 1.00 46.64 C +ATOM 720 C GLN E 167 -2.231 54.483 -38.816 1.00 52.54 C +ATOM 721 O GLN E 167 -1.192 55.147 -38.802 1.00 51.79 O +ATOM 722 CB GLN E 167 -2.854 53.980 -36.440 1.00 45.18 C +ATOM 723 CG GLN E 167 -3.303 54.677 -35.169 1.00 46.26 C +ATOM 724 CD GLN E 167 -2.893 56.137 -35.121 1.00 48.35 C +ATOM 725 OE1 GLN E 167 -1.706 56.458 -35.205 1.00 52.35 O +ATOM 726 NE2 GLN E 167 -3.871 57.025 -34.985 1.00 45.24 N +ATOM 727 N GLU E 168 -2.509 53.575 -39.751 1.00 60.22 N +ATOM 728 CA GLU E 168 -1.590 53.265 -40.844 1.00 69.48 C +ATOM 729 C GLU E 168 -1.544 54.371 -41.898 1.00 72.99 C +ATOM 730 O GLU E 168 -0.465 54.859 -42.239 1.00 72.56 O +ATOM 731 CB GLU E 168 -1.951 51.930 -41.493 1.00 71.99 C +ATOM 732 CG GLU E 168 -0.807 50.934 -41.525 1.00 78.95 C +ATOM 733 CD GLU E 168 -1.200 49.615 -42.169 1.00 83.77 C +ATOM 734 OE1 GLU E 168 -2.396 49.240 -42.103 1.00 84.67 O +ATOM 735 OE2 GLU E 168 -0.306 48.951 -42.741 1.00 85.02 O +ATOM 736 N THR E 169 -2.715 54.767 -42.404 1.00 77.54 N +ATOM 737 CA THR E 169 -2.806 55.839 -43.398 1.00 82.43 C +ATOM 738 C THR E 169 -2.580 57.211 -42.757 1.00 88.29 C +ATOM 739 O THR E 169 -3.112 58.222 -43.223 1.00 89.29 O +ATOM 740 CB THR E 169 -4.147 55.788 -44.171 1.00 81.24 C +ATOM 741 OG1 THR E 169 -5.091 54.974 -43.467 1.00 79.61 O +ATOM 742 CG2 THR E 169 -3.970 55.052 -45.495 1.00 81.97 C +ATOM 743 N HIS E 170 -1.780 57.212 -41.687 1.00 94.22 N +ATOM 744 CA HIS E 170 -1.365 58.398 -40.926 1.00 99.97 C +ATOM 745 C HIS E 170 -2.481 59.150 -40.185 1.00102.08 C +ATOM 746 O HIS E 170 -3.617 59.242 -40.659 1.00103.01 O +ATOM 747 CB HIS E 170 -0.514 59.344 -41.785 1.00102.85 C +ATOM 748 CG HIS E 170 0.912 58.908 -41.922 1.00105.43 C +ATOM 749 ND1 HIS E 170 1.389 58.261 -43.042 1.00106.23 N +ATOM 750 CD2 HIS E 170 1.962 59.016 -41.073 1.00106.29 C +ATOM 751 CE1 HIS E 170 2.674 57.996 -42.880 1.00106.81 C +ATOM 752 NE2 HIS E 170 3.046 58.443 -41.694 1.00107.07 N +ATOM 753 N SER E 171 -2.130 59.681 -39.015 1.00103.22 N +ATOM 754 CA SER E 171 -3.080 60.333 -38.114 1.00104.32 C +ATOM 755 C SER E 171 -3.351 61.801 -38.467 1.00104.73 C +ATOM 756 O SER E 171 -3.499 62.681 -37.612 1.00103.53 O +ATOM 757 CB SER E 171 -2.589 60.212 -36.668 1.00105.25 C +ATOM 758 OG SER E 171 -1.216 60.546 -36.560 1.00106.16 O +ATOM 760 N ALA F 1 -11.596 66.935 -38.755 1.00 42.78 N +ATOM 761 CA ALA F 1 -11.431 67.354 -37.343 1.00 42.24 C +ATOM 762 C ALA F 1 -9.960 67.537 -37.032 1.00 45.21 C +ATOM 763 O ALA F 1 -9.107 66.932 -37.683 1.00 45.22 O +ATOM 764 CB ALA F 1 -12.035 66.325 -36.409 1.00 40.09 C +ATOM 765 N GLU F 2 -9.673 68.377 -36.041 1.00 44.23 N +ATOM 766 CA GLU F 2 -8.321 68.528 -35.518 1.00 52.54 C +ATOM 767 C GLU F 2 -8.323 68.582 -33.989 1.00 53.63 C +ATOM 768 O GLU F 2 -9.297 69.038 -33.374 1.00 45.91 O +ATOM 769 CB GLU F 2 -7.631 69.764 -36.100 1.00 59.29 C +ATOM 770 CG GLU F 2 -8.515 70.990 -36.223 1.00 68.31 C +ATOM 771 CD GLU F 2 -7.877 72.228 -35.627 1.00 74.94 C +ATOM 772 OE1 GLU F 2 -7.930 72.387 -34.384 1.00 77.70 O +ATOM 773 OE2 GLU F 2 -7.320 73.039 -36.406 1.00 77.31 O +ATOM 774 N ALA F 3 -7.234 68.105 -33.389 1.00 57.59 N +ATOM 775 CA ALA F 3 -7.070 68.120 -31.937 1.00 61.34 C +ATOM 776 C ALA F 3 -7.004 69.552 -31.428 1.00 63.72 C +ATOM 777 O ALA F 3 -6.621 70.460 -32.166 1.00 65.69 O +ATOM 778 CB ALA F 3 -5.823 67.352 -31.538 1.00 61.11 C +ATOM 779 N VAL F 4 -7.404 69.760 -30.179 1.00 69.00 N +ATOM 780 CA VAL F 4 -7.310 71.083 -29.566 1.00 74.07 C +ATOM 781 C VAL F 4 -5.947 71.259 -28.883 1.00 77.88 C +ATOM 782 O VAL F 4 -5.398 70.325 -28.293 1.00 81.03 O +ATOM 783 CB VAL F 4 -8.501 71.378 -28.598 1.00 74.22 C +ATOM 784 CG1 VAL F 4 -8.500 70.438 -27.399 1.00 74.72 C +ATOM 785 CG2 VAL F 4 -8.504 72.844 -28.150 1.00 73.71 C Added: SwiftApps/modFTdock/input/1oxn-9.pdb =================================================================== --- SwiftApps/modFTdock/input/1oxn-9.pdb (rev 0) +++ SwiftApps/modFTdock/input/1oxn-9.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,798 @@ +ATOM 1 N ALA D 71 6.758 76.848 18.010 1.00 85.14 N +ATOM 2 CA ALA D 71 6.754 75.652 17.113 1.00 86.00 C +ATOM 3 C ALA D 71 6.484 74.360 17.890 1.00 84.57 C +ATOM 4 O ALA D 71 7.313 73.917 18.696 1.00 85.52 O +ATOM 5 CB ALA D 71 8.071 75.559 16.334 1.00 86.56 C +ATOM 6 N GLY D 72 5.317 73.766 17.643 1.00 80.86 N +ATOM 7 CA GLY D 72 4.902 72.562 18.344 1.00 76.61 C +ATOM 8 C GLY D 72 3.505 72.073 18.002 1.00 71.57 C +ATOM 9 O GLY D 72 3.178 70.905 18.250 1.00 71.23 O +ATOM 10 N ALA D 73 2.676 72.958 17.446 1.00 65.91 N +ATOM 11 CA ALA D 73 1.325 72.579 17.029 1.00 59.72 C +ATOM 12 C ALA D 73 1.412 71.621 15.856 1.00 55.06 C +ATOM 13 O ALA D 73 2.145 71.862 14.898 1.00 52.21 O +ATOM 14 CB ALA D 73 0.502 73.796 16.666 1.00 59.82 C +ATOM 15 N THR D 74 0.687 70.515 15.956 1.00 52.69 N +ATOM 16 CA THR D 74 0.738 69.483 14.936 1.00 52.11 C +ATOM 17 C THR D 74 -0.475 69.562 14.017 1.00 49.27 C +ATOM 18 O THR D 74 -1.535 70.064 14.401 1.00 48.62 O +ATOM 19 CB THR D 74 0.853 68.067 15.562 1.00 54.83 C +ATOM 20 OG1 THR D 74 -0.343 67.751 16.286 1.00 56.88 O +ATOM 21 CG2 THR D 74 1.944 68.022 16.636 1.00 58.75 C +ATOM 22 N LEU D 75 -0.287 69.068 12.798 1.00 44.80 N +ATOM 23 CA LEU D 75 -1.352 68.904 11.832 1.00 41.07 C +ATOM 24 C LEU D 75 -2.310 67.819 12.302 1.00 38.67 C +ATOM 25 O LEU D 75 -1.880 66.735 12.704 1.00 36.29 O +ATOM 26 CB LEU D 75 -0.746 68.490 10.501 1.00 43.48 C +ATOM 27 CG LEU D 75 -1.233 69.126 9.205 1.00 44.90 C +ATOM 28 CD1 LEU D 75 -1.404 70.623 9.309 1.00 42.87 C +ATOM 29 CD2 LEU D 75 -0.246 68.768 8.117 1.00 46.17 C +ATOM 30 N SER D 76 -3.608 68.109 12.263 1.00 35.79 N +ATOM 31 CA SER D 76 -4.606 67.094 12.581 1.00 35.11 C +ATOM 32 C SER D 76 -4.610 66.008 11.512 1.00 30.58 C +ATOM 33 O SER D 76 -4.456 66.302 10.324 1.00 29.10 O +ATOM 34 CB SER D 76 -5.988 67.718 12.744 1.00 40.07 C +ATOM 35 OG SER D 76 -6.002 68.582 13.867 1.00 43.64 O +ATOM 36 N ARG D 77 -4.785 64.762 11.943 1.00 28.91 N +ATOM 37 CA ARG D 77 -4.665 63.607 11.061 1.00 37.02 C +ATOM 38 C ARG D 77 -5.998 63.169 10.443 1.00 37.59 C +ATOM 39 O ARG D 77 -6.033 62.265 9.602 1.00 36.56 O +ATOM 40 CB ARG D 77 -3.981 62.443 11.796 1.00 45.54 C +ATOM 41 CG ARG D 77 -2.536 62.757 12.234 1.00 52.35 C +ATOM 42 CD ARG D 77 -1.752 61.565 12.751 1.00 60.32 C +ATOM 43 NE ARG D 77 -1.098 60.829 11.668 1.00 66.05 N +ATOM 44 CZ ARG D 77 -1.553 59.692 11.141 1.00 68.87 C +ATOM 45 NH1 ARG D 77 -2.677 59.137 11.588 1.00 69.15 N +ATOM 46 NH2 ARG D 77 -0.879 59.105 10.159 1.00 68.52 N +ATOM 47 N GLY D 78 -7.085 63.817 10.846 1.00 37.32 N +ATOM 48 CA GLY D 78 -8.400 63.463 10.341 1.00 37.09 C +ATOM 49 C GLY D 78 -8.670 64.074 8.977 1.00 32.07 C +ATOM 50 O GLY D 78 -8.502 65.282 8.803 1.00 33.26 O +ATOM 51 N PRO D 79 -9.092 63.263 8.006 1.00 29.73 N +ATOM 52 CA PRO D 79 -9.513 63.818 6.713 1.00 28.44 C +ATOM 53 C PRO D 79 -10.699 64.742 6.967 1.00 25.96 C +ATOM 54 O PRO D 79 -11.506 64.458 7.850 1.00 26.50 O +ATOM 55 CB PRO D 79 -9.940 62.592 5.902 1.00 27.82 C +ATOM 56 CG PRO D 79 -9.398 61.399 6.621 1.00 31.07 C +ATOM 57 CD PRO D 79 -9.235 61.797 8.067 1.00 32.92 C +ATOM 58 N ALA D 80 -10.760 65.859 6.254 1.00 25.78 N +ATOM 59 CA ALA D 80 -11.893 66.767 6.328 1.00 26.21 C +ATOM 60 C ALA D 80 -13.210 66.057 6.009 1.00 28.21 C +ATOM 61 O ALA D 80 -14.237 66.338 6.625 1.00 28.17 O +ATOM 62 CB ALA D 80 -11.689 67.920 5.380 1.00 26.51 C +ATOM 63 N PHE D 81 -13.161 65.141 5.043 1.00 26.85 N +ATOM 64 CA PHE D 81 -14.343 64.489 4.511 1.00 23.99 C +ATOM 65 C PHE D 81 -14.012 63.002 4.381 1.00 20.26 C +ATOM 66 O PHE D 81 -13.696 62.516 3.301 1.00 21.72 O +ATOM 67 CB PHE D 81 -14.725 65.134 3.162 1.00 24.11 C +ATOM 68 CG PHE D 81 -16.119 64.794 2.669 1.00 28.14 C +ATOM 69 CD1 PHE D 81 -16.810 63.678 3.138 1.00 26.52 C +ATOM 70 CD2 PHE D 81 -16.735 65.598 1.703 1.00 25.80 C +ATOM 71 CE1 PHE D 81 -18.096 63.380 2.671 1.00 28.11 C +ATOM 72 CE2 PHE D 81 -18.023 65.308 1.238 1.00 27.86 C +ATOM 73 CZ PHE D 81 -18.701 64.192 1.722 1.00 28.83 C +ATOM 74 N PRO D 82 -14.089 62.285 5.496 1.00 20.98 N +ATOM 75 CA PRO D 82 -13.698 60.882 5.540 1.00 21.20 C +ATOM 76 C PRO D 82 -14.382 60.023 4.484 1.00 22.52 C +ATOM 77 O PRO D 82 -13.720 59.145 3.929 1.00 23.08 O +ATOM 78 CB PRO D 82 -14.101 60.452 6.958 1.00 23.75 C +ATOM 79 CG PRO D 82 -14.040 61.690 7.747 1.00 21.76 C +ATOM 80 CD PRO D 82 -14.529 62.774 6.818 1.00 24.49 C +ATOM 81 N GLY D 83 -15.658 60.268 4.193 1.00 21.25 N +ATOM 82 CA GLY D 83 -16.386 59.417 3.261 1.00 19.45 C +ATOM 83 C GLY D 83 -15.855 59.507 1.851 1.00 22.48 C +ATOM 84 O GLY D 83 -15.971 58.572 1.061 1.00 22.52 O +ATOM 85 N MET D 84 -15.252 60.648 1.540 1.00 19.67 N +ATOM 86 CA MET D 84 -14.657 60.858 0.232 1.00 22.38 C +ATOM 87 C MET D 84 -13.224 60.313 0.143 1.00 25.97 C +ATOM 88 O MET D 84 -12.510 60.595 -0.805 1.00 25.78 O +ATOM 89 CB MET D 84 -14.751 62.337 -0.157 1.00 24.16 C +ATOM 90 CG MET D 84 -16.123 62.722 -0.715 1.00 20.12 C +ATOM 91 SD MET D 84 -16.587 61.632 -2.079 1.00 22.16 S +ATOM 92 CE MET D 84 -18.105 62.468 -2.630 1.00 20.99 C +ATOM 93 N GLY D 85 -12.822 59.522 1.138 1.00 27.88 N +ATOM 94 CA GLY D 85 -11.559 58.802 1.102 1.00 23.88 C +ATOM 95 C GLY D 85 -11.602 57.720 0.051 1.00 26.44 C +ATOM 96 O GLY D 85 -10.562 57.248 -0.419 1.00 23.48 O +ATOM 97 N SER D 86 -12.819 57.322 -0.317 1.00 21.94 N +ATOM 98 CA SER D 86 -13.023 56.387 -1.410 1.00 25.14 C +ATOM 99 C SER D 86 -12.878 57.119 -2.738 1.00 26.45 C +ATOM 100 O SER D 86 -13.617 58.064 -3.017 1.00 28.96 O +ATOM 101 CB SER D 86 -14.416 55.756 -1.312 1.00 29.24 C +ATOM 102 OG SER D 86 -14.739 55.049 -2.496 1.00 33.39 O +ATOM 103 N GLU D 87 -11.923 56.681 -3.552 1.00 26.97 N +ATOM 104 CA GLU D 87 -11.775 57.203 -4.905 1.00 26.79 C +ATOM 105 C GLU D 87 -13.047 56.960 -5.711 1.00 24.57 C +ATOM 106 O GLU D 87 -13.472 57.819 -6.481 1.00 23.69 O +ATOM 107 CB GLU D 87 -10.588 56.554 -5.610 1.00 28.33 C +ATOM 108 CG GLU D 87 -10.299 57.133 -6.987 1.00 34.02 C +ATOM 109 CD GLU D 87 -8.962 56.692 -7.549 1.00 39.62 C +ATOM 110 OE1 GLU D 87 -8.145 56.108 -6.806 1.00 47.26 O +ATOM 111 OE2 GLU D 87 -8.719 56.940 -8.742 1.00 41.15 O +ATOM 112 N GLU D 88 -13.651 55.791 -5.516 1.00 26.68 N +ATOM 113 CA GLU D 88 -14.899 55.441 -6.184 1.00 29.86 C +ATOM 114 C GLU D 88 -15.971 56.489 -5.924 1.00 24.59 C +ATOM 115 O GLU D 88 -16.640 56.945 -6.847 1.00 27.36 O +ATOM 116 CB GLU D 88 -15.374 54.055 -5.749 1.00 37.04 C +ATOM 117 CG GLU D 88 -15.692 53.136 -6.916 1.00 52.70 C +ATOM 118 CD GLU D 88 -15.702 51.665 -6.528 1.00 60.74 C +ATOM 119 OE1 GLU D 88 -16.713 51.213 -5.942 1.00 62.65 O +ATOM 120 OE2 GLU D 88 -14.702 50.964 -6.815 1.00 61.69 O +ATOM 121 N LEU D 89 -16.106 56.888 -4.665 1.00 25.96 N +ATOM 122 CA LEU D 89 -17.089 57.887 -4.283 1.00 22.06 C +ATOM 123 C LEU D 89 -16.714 59.274 -4.796 1.00 27.46 C +ATOM 124 O LEU D 89 -17.580 60.026 -5.238 1.00 30.72 O +ATOM 125 CB LEU D 89 -17.319 57.886 -2.766 1.00 21.20 C +ATOM 126 CG LEU D 89 -17.960 56.611 -2.193 1.00 29.85 C +ATOM 127 CD1 LEU D 89 -18.057 56.702 -0.678 1.00 28.34 C +ATOM 128 CD2 LEU D 89 -19.343 56.309 -2.824 1.00 28.98 C +ATOM 129 N ARG D 90 -15.425 59.600 -4.768 1.00 25.70 N +ATOM 130 CA ARG D 90 -14.963 60.866 -5.339 1.00 22.35 C +ATOM 131 C ARG D 90 -15.313 60.954 -6.820 1.00 21.60 C +ATOM 132 O ARG D 90 -15.857 61.965 -7.264 1.00 21.81 O +ATOM 133 CB ARG D 90 -13.462 61.054 -5.131 1.00 21.48 C +ATOM 134 CG ARG D 90 -13.064 61.216 -3.673 1.00 14.26 C +ATOM 135 CD ARG D 90 -11.674 61.818 -3.477 1.00 20.80 C +ATOM 136 NE ARG D 90 -10.622 61.027 -4.115 1.00 16.40 N +ATOM 137 CZ ARG D 90 -10.014 59.987 -3.537 1.00 17.26 C +ATOM 138 NH1 ARG D 90 -10.362 59.601 -2.322 1.00 16.89 N +ATOM 139 NH2 ARG D 90 -9.071 59.317 -4.175 1.00 16.83 N +ATOM 140 N LEU D 91 -15.031 59.885 -7.566 1.00 20.85 N +ATOM 141 CA LEU D 91 -15.314 59.842 -8.994 1.00 24.99 C +ATOM 142 C LEU D 91 -16.805 60.011 -9.268 1.00 23.63 C +ATOM 143 O LEU D 91 -17.187 60.751 -10.159 1.00 26.82 O +ATOM 144 CB LEU D 91 -14.859 58.516 -9.601 1.00 25.84 C +ATOM 145 CG LEU D 91 -14.171 58.520 -10.972 1.00 29.15 C +ATOM 146 CD1 LEU D 91 -14.427 57.238 -11.732 1.00 31.54 C +ATOM 147 CD2 LEU D 91 -14.457 59.745 -11.822 1.00 25.09 C +ATOM 148 N ALA D 92 -17.623 59.298 -8.503 1.00 23.42 N +ATOM 149 CA ALA D 92 -19.076 59.366 -8.615 1.00 23.57 C +ATOM 150 C ALA D 92 -19.572 60.789 -8.425 1.00 24.07 C +ATOM 151 O ALA D 92 -20.557 61.182 -9.033 1.00 30.68 O +ATOM 152 CB ALA D 92 -19.729 58.438 -7.597 1.00 21.01 C +ATOM 153 N SER D 93 -18.878 61.566 -7.595 1.00 20.64 N +ATOM 154 CA SER D 93 -19.260 62.957 -7.367 1.00 19.31 C +ATOM 155 C SER D 93 -19.184 63.804 -8.636 1.00 18.16 C +ATOM 156 O SER D 93 -19.756 64.874 -8.673 1.00 20.37 O +ATOM 157 CB SER D 93 -18.401 63.594 -6.268 1.00 25.07 C +ATOM 158 OG SER D 93 -17.084 63.843 -6.741 1.00 23.85 O +ATOM 159 N PHE D 94 -18.480 63.326 -9.664 1.00 16.84 N +ATOM 160 CA PHE D 94 -18.267 64.120 -10.874 1.00 22.69 C +ATOM 161 C PHE D 94 -19.314 63.868 -11.968 1.00 22.96 C +ATOM 162 O PHE D 94 -19.138 64.309 -13.103 1.00 23.28 O +ATOM 163 CB PHE D 94 -16.868 63.868 -11.449 1.00 20.31 C +ATOM 164 CG PHE D 94 -15.746 64.477 -10.649 1.00 21.40 C +ATOM 165 CD1 PHE D 94 -15.149 63.770 -9.607 1.00 20.68 C +ATOM 166 CD2 PHE D 94 -15.244 65.728 -10.976 1.00 22.29 C +ATOM 167 CE1 PHE D 94 -14.081 64.324 -8.878 1.00 21.47 C +ATOM 168 CE2 PHE D 94 -14.184 66.283 -10.261 1.00 21.36 C +ATOM 169 CZ PHE D 94 -13.613 65.575 -9.195 1.00 20.62 C +ATOM 170 N TYR D 95 -20.405 63.188 -11.627 1.00 23.83 N +ATOM 171 CA TYR D 95 -21.434 62.845 -12.606 1.00 26.09 C +ATOM 172 C TYR D 95 -21.897 64.082 -13.368 1.00 26.08 C +ATOM 173 O TYR D 95 -22.181 64.022 -14.571 1.00 23.24 O +ATOM 174 CB TYR D 95 -22.618 62.128 -11.937 1.00 32.66 C +ATOM 175 CG TYR D 95 -23.473 63.000 -11.038 1.00 43.59 C +ATOM 176 CD1 TYR D 95 -23.090 63.276 -9.718 1.00 47.86 C +ATOM 177 CD2 TYR D 95 -24.675 63.543 -11.501 1.00 49.60 C +ATOM 178 CE1 TYR D 95 -23.883 64.076 -8.888 1.00 50.69 C +ATOM 179 CE2 TYR D 95 -25.475 64.344 -10.677 1.00 51.07 C +ATOM 180 CZ TYR D 95 -25.074 64.605 -9.375 1.00 53.68 C +ATOM 181 OH TYR D 95 -25.865 65.398 -8.566 1.00 56.18 O +ATOM 182 N ASP D 96 -21.930 65.200 -12.651 1.00 21.76 N +ATOM 183 CA ASP D 96 -22.408 66.478 -13.159 1.00 26.15 C +ATOM 184 C ASP D 96 -21.269 67.419 -13.498 1.00 24.39 C +ATOM 185 O ASP D 96 -21.449 68.623 -13.481 1.00 21.80 O +ATOM 186 CB ASP D 96 -23.293 67.147 -12.101 1.00 34.63 C +ATOM 187 CG ASP D 96 -22.623 67.198 -10.701 1.00 39.84 C +ATOM 188 OD1 ASP D 96 -21.519 66.592 -10.495 1.00 30.85 O +ATOM 189 OD2 ASP D 96 -23.152 67.826 -9.747 1.00 41.78 O +ATOM 190 N TRP D 97 -20.089 66.870 -13.778 1.00 21.66 N +ATOM 191 CA TRP D 97 -18.939 67.672 -14.180 1.00 20.82 C +ATOM 192 C TRP D 97 -19.342 68.467 -15.426 1.00 25.39 C +ATOM 193 O TRP D 97 -19.999 67.923 -16.305 1.00 24.59 O +ATOM 194 CB TRP D 97 -17.784 66.726 -14.503 1.00 17.76 C +ATOM 195 CG TRP D 97 -16.433 67.330 -14.706 1.00 18.83 C +ATOM 196 CD1 TRP D 97 -15.635 67.173 -15.794 1.00 15.58 C +ATOM 197 CD2 TRP D 97 -15.694 68.135 -13.782 1.00 16.60 C +ATOM 198 NE1 TRP D 97 -14.453 67.847 -15.616 1.00 18.44 N +ATOM 199 CE2 TRP D 97 -14.464 68.445 -14.386 1.00 18.83 C +ATOM 200 CE3 TRP D 97 -15.958 68.648 -12.505 1.00 21.07 C +ATOM 201 CZ2 TRP D 97 -13.496 69.247 -13.763 1.00 20.85 C +ATOM 202 CZ3 TRP D 97 -14.997 69.432 -11.885 1.00 16.86 C +ATOM 203 CH2 TRP D 97 -13.786 69.725 -12.515 1.00 18.98 C +ATOM 204 N PRO D 98 -18.951 69.739 -15.512 1.00 27.06 N +ATOM 205 CA PRO D 98 -19.348 70.585 -16.647 1.00 24.59 C +ATOM 206 C PRO D 98 -18.819 70.039 -17.954 1.00 27.40 C +ATOM 207 O PRO D 98 -17.689 69.549 -18.015 1.00 25.34 O +ATOM 208 CB PRO D 98 -18.683 71.934 -16.342 1.00 24.40 C +ATOM 209 CG PRO D 98 -18.446 71.915 -14.879 1.00 29.47 C +ATOM 210 CD PRO D 98 -18.126 70.475 -14.540 1.00 22.58 C +ATOM 211 N LEU D 99 -19.634 70.130 -18.995 1.00 23.89 N +ATOM 212 CA LEU D 99 -19.207 69.709 -20.319 1.00 23.46 C +ATOM 213 C LEU D 99 -18.178 70.657 -20.902 1.00 22.56 C +ATOM 214 O LEU D 99 -17.486 70.318 -21.856 1.00 24.68 O +ATOM 215 CB LEU D 99 -20.408 69.527 -21.258 1.00 21.40 C +ATOM 216 CG LEU D 99 -21.535 68.707 -20.648 1.00 26.61 C +ATOM 217 CD1 LEU D 99 -22.637 68.494 -21.669 1.00 31.54 C +ATOM 218 CD2 LEU D 99 -21.028 67.355 -20.076 1.00 22.73 C +ATOM 219 N THR D 100 -18.054 71.841 -20.311 1.00 23.77 N +ATOM 220 CA THR D 100 -17.029 72.792 -20.735 1.00 26.10 C +ATOM 221 C THR D 100 -15.682 72.521 -20.072 1.00 25.25 C +ATOM 222 O THR D 100 -14.672 73.112 -20.459 1.00 26.06 O +ATOM 223 CB THR D 100 -17.454 74.214 -20.372 1.00 30.15 C +ATOM 224 OG1 THR D 100 -17.950 74.213 -19.024 1.00 32.14 O +ATOM 225 CG2 THR D 100 -18.647 74.665 -21.230 1.00 25.31 C +ATOM 226 N ALA D 101 -15.676 71.648 -19.067 1.00 23.49 N +ATOM 227 CA ALA D 101 -14.498 71.438 -18.216 1.00 24.64 C +ATOM 228 C ALA D 101 -13.319 70.878 -19.007 1.00 24.26 C +ATOM 229 O ALA D 101 -13.482 70.335 -20.102 1.00 25.01 O +ATOM 230 CB ALA D 101 -14.852 70.535 -17.042 1.00 21.56 C +ATOM 231 N GLU D 102 -12.120 71.032 -18.476 1.00 22.74 N +ATOM 232 CA GLU D 102 -10.942 70.780 -19.290 1.00 22.20 C +ATOM 233 C GLU D 102 -10.017 69.733 -18.682 1.00 23.57 C +ATOM 234 O GLU D 102 -9.019 69.340 -19.292 1.00 23.60 O +ATOM 235 CB GLU D 102 -10.200 72.094 -19.537 1.00 31.26 C +ATOM 236 CG GLU D 102 -10.626 72.795 -20.820 1.00 41.73 C +ATOM 237 CD GLU D 102 -10.231 74.258 -20.845 1.00 49.89 C +ATOM 238 OE1 GLU D 102 -9.017 74.562 -20.749 1.00 51.76 O +ATOM 239 OE2 GLU D 102 -11.136 75.112 -20.968 1.00 53.03 O +ATOM 240 N VAL D 103 -10.354 69.301 -17.472 1.00 21.67 N +ATOM 241 CA VAL D 103 -9.601 68.278 -16.765 1.00 23.09 C +ATOM 242 C VAL D 103 -10.599 67.198 -16.372 1.00 20.42 C +ATOM 243 O VAL D 103 -11.685 67.503 -15.878 1.00 22.10 O +ATOM 244 CB VAL D 103 -8.845 68.868 -15.544 1.00 21.31 C +ATOM 245 CG1 VAL D 103 -8.155 67.768 -14.707 1.00 18.90 C +ATOM 246 CG2 VAL D 103 -7.823 69.866 -16.021 1.00 24.61 C +ATOM 247 N PRO D 104 -10.251 65.946 -16.646 1.00 21.80 N +ATOM 248 CA PRO D 104 -11.181 64.826 -16.453 1.00 22.14 C +ATOM 249 C PRO D 104 -11.380 64.439 -15.001 1.00 21.06 C +ATOM 250 O PRO D 104 -10.436 64.471 -14.214 1.00 22.55 O +ATOM 251 CB PRO D 104 -10.518 63.673 -17.216 1.00 19.80 C +ATOM 252 CG PRO D 104 -9.043 64.010 -17.215 1.00 21.56 C +ATOM 253 CD PRO D 104 -8.947 65.507 -17.190 1.00 22.47 C +ATOM 254 N PRO D 105 -12.611 64.078 -14.662 1.00 21.26 N +ATOM 255 CA PRO D 105 -12.953 63.553 -13.336 1.00 19.03 C +ATOM 256 C PRO D 105 -12.003 62.477 -12.844 1.00 19.43 C +ATOM 257 O PRO D 105 -11.615 62.487 -11.667 1.00 21.14 O +ATOM 258 CB PRO D 105 -14.322 62.946 -13.573 1.00 19.71 C +ATOM 259 CG PRO D 105 -14.926 63.870 -14.595 1.00 20.28 C +ATOM 260 CD PRO D 105 -13.801 64.202 -15.526 1.00 20.78 C +ATOM 261 N GLU D 106 -11.641 61.545 -13.717 1.00 15.48 N +ATOM 262 CA GLU D 106 -10.878 60.405 -13.261 1.00 21.44 C +ATOM 263 C GLU D 106 -9.557 60.855 -12.655 1.00 23.04 C +ATOM 264 O GLU D 106 -9.144 60.353 -11.614 1.00 26.96 O +ATOM 265 CB GLU D 106 -10.675 59.409 -14.385 1.00 23.45 C +ATOM 266 CG GLU D 106 -10.150 58.082 -13.893 1.00 36.05 C +ATOM 267 CD GLU D 106 -8.646 58.094 -13.754 1.00 43.56 C +ATOM 268 OE1 GLU D 106 -7.973 58.780 -14.565 1.00 44.89 O +ATOM 269 OE2 GLU D 106 -8.141 57.434 -12.821 1.00 48.56 O +ATOM 270 N LEU D 107 -8.919 61.828 -13.300 1.00 22.97 N +ATOM 271 CA LEU D 107 -7.640 62.350 -12.847 1.00 24.76 C +ATOM 272 C LEU D 107 -7.826 63.159 -11.570 1.00 23.65 C +ATOM 273 O LEU D 107 -7.030 63.077 -10.644 1.00 23.72 O +ATOM 274 CB LEU D 107 -7.025 63.228 -13.932 1.00 23.38 C +ATOM 275 CG LEU D 107 -5.717 62.789 -14.587 1.00 34.33 C +ATOM 276 CD1 LEU D 107 -5.492 61.279 -14.548 1.00 36.01 C +ATOM 277 CD2 LEU D 107 -5.662 63.317 -16.023 1.00 35.81 C +ATOM 278 N LEU D 108 -8.899 63.932 -11.522 1.00 18.85 N +ATOM 279 CA LEU D 108 -9.173 64.742 -10.350 1.00 17.99 C +ATOM 280 C LEU D 108 -9.403 63.881 -9.134 1.00 16.92 C +ATOM 281 O LEU D 108 -8.813 64.122 -8.082 1.00 21.59 O +ATOM 282 CB LEU D 108 -10.374 65.640 -10.603 1.00 17.51 C +ATOM 283 CG LEU D 108 -9.951 66.746 -11.558 1.00 18.71 C +ATOM 284 CD1 LEU D 108 -11.163 67.320 -12.290 1.00 20.69 C +ATOM 285 CD2 LEU D 108 -9.212 67.838 -10.784 1.00 20.00 C +ATOM 286 N ALA D 109 -10.234 62.859 -9.299 1.00 17.91 N +ATOM 287 CA ALA D 109 -10.613 61.974 -8.202 1.00 20.89 C +ATOM 288 C ALA D 109 -9.428 61.158 -7.708 1.00 21.48 C +ATOM 289 O ALA D 109 -9.323 60.869 -6.512 1.00 20.19 O +ATOM 290 CB ALA D 109 -11.754 61.039 -8.629 1.00 19.28 C +ATOM 291 N ALA D 110 -8.557 60.770 -8.639 1.00 22.78 N +ATOM 292 CA ALA D 110 -7.338 60.041 -8.301 1.00 20.38 C +ATOM 293 C ALA D 110 -6.465 60.916 -7.406 1.00 22.31 C +ATOM 294 O ALA D 110 -5.840 60.419 -6.480 1.00 25.48 O +ATOM 295 CB ALA D 110 -6.583 59.619 -9.570 1.00 18.63 C +ATOM 296 N ALA D 111 -6.462 62.225 -7.657 1.00 23.42 N +ATOM 297 CA ALA D 111 -5.645 63.151 -6.871 1.00 21.88 C +ATOM 298 C ALA D 111 -6.320 63.621 -5.575 1.00 22.47 C +ATOM 299 O ALA D 111 -5.847 64.564 -4.949 1.00 21.52 O +ATOM 300 CB ALA D 111 -5.232 64.360 -7.729 1.00 22.89 C +ATOM 301 N GLY D 112 -7.439 62.995 -5.203 1.00 18.73 N +ATOM 302 CA GLY D 112 -8.071 63.251 -3.920 1.00 18.67 C +ATOM 303 C GLY D 112 -9.249 64.215 -3.976 1.00 23.17 C +ATOM 304 O GLY D 112 -9.870 64.492 -2.946 1.00 22.23 O +ATOM 305 N PHE D 113 -9.568 64.709 -5.172 1.00 18.77 N +ATOM 306 CA PHE D 113 -10.601 65.733 -5.311 1.00 18.40 C +ATOM 307 C PHE D 113 -11.966 65.118 -5.548 1.00 17.72 C +ATOM 308 O PHE D 113 -12.099 64.110 -6.245 1.00 16.91 O +ATOM 309 CB PHE D 113 -10.242 66.701 -6.442 1.00 18.20 C +ATOM 310 CG PHE D 113 -8.968 67.451 -6.198 1.00 19.79 C +ATOM 311 CD1 PHE D 113 -8.897 68.416 -5.208 1.00 21.23 C +ATOM 312 CD2 PHE D 113 -7.828 67.169 -6.936 1.00 20.56 C +ATOM 313 CE1 PHE D 113 -7.708 69.100 -4.966 1.00 21.73 C +ATOM 314 CE2 PHE D 113 -6.640 67.848 -6.700 1.00 19.76 C +ATOM 315 CZ PHE D 113 -6.580 68.808 -5.714 1.00 19.64 C +ATOM 316 N PHE D 114 -12.979 65.709 -4.931 1.00 17.02 N +ATOM 317 CA PHE D 114 -14.349 65.400 -5.293 1.00 22.70 C +ATOM 318 C PHE D 114 -14.977 66.686 -5.811 1.00 23.22 C +ATOM 319 O PHE D 114 -14.536 67.783 -5.476 1.00 25.00 O +ATOM 320 CB PHE D 114 -15.131 64.833 -4.101 1.00 18.25 C +ATOM 321 CG PHE D 114 -15.248 65.789 -2.951 1.00 22.28 C +ATOM 322 CD1 PHE D 114 -16.304 66.688 -2.890 1.00 20.03 C +ATOM 323 CD2 PHE D 114 -14.294 65.803 -1.933 1.00 24.37 C +ATOM 324 CE1 PHE D 114 -16.421 67.585 -1.832 1.00 22.93 C +ATOM 325 CE2 PHE D 114 -14.399 66.705 -0.871 1.00 24.35 C +ATOM 326 CZ PHE D 114 -15.469 67.595 -0.822 1.00 26.91 C +ATOM 327 N HIS D 115 -16.015 66.537 -6.617 1.00 22.35 N +ATOM 328 CA HIS D 115 -16.749 67.660 -7.166 1.00 21.89 C +ATOM 329 C HIS D 115 -17.747 68.207 -6.152 1.00 19.17 C +ATOM 330 O HIS D 115 -18.464 67.450 -5.520 1.00 22.75 O +ATOM 331 CB HIS D 115 -17.498 67.201 -8.420 1.00 23.21 C +ATOM 332 CG HIS D 115 -18.089 68.322 -9.212 1.00 24.23 C +ATOM 333 ND1 HIS D 115 -19.227 68.174 -9.976 1.00 22.17 N +ATOM 334 CD2 HIS D 115 -17.701 69.610 -9.357 1.00 23.40 C +ATOM 335 CE1 HIS D 115 -19.508 69.321 -10.564 1.00 24.25 C +ATOM 336 NE2 HIS D 115 -18.593 70.206 -10.212 1.00 28.20 N +ATOM 337 N THR D 116 -17.802 69.522 -5.998 1.00 21.76 N +ATOM 338 CA THR D 116 -18.771 70.123 -5.071 1.00 30.30 C +ATOM 339 C THR D 116 -20.176 70.156 -5.679 1.00 40.86 C +ATOM 340 O THR D 116 -21.177 70.269 -4.957 1.00 42.78 O +ATOM 341 CB THR D 116 -18.353 71.549 -4.680 1.00 29.29 C +ATOM 342 OG1 THR D 116 -18.273 72.354 -5.867 1.00 33.00 O +ATOM 343 CG2 THR D 116 -16.928 71.575 -4.137 1.00 29.10 C +ATOM 344 N GLY D 117 -20.241 70.058 -7.009 1.00 46.37 N +ATOM 345 CA GLY D 117 -21.499 70.101 -7.740 1.00 43.91 C +ATOM 346 C GLY D 117 -21.718 71.486 -8.314 1.00 44.22 C +ATOM 347 O GLY D 117 -22.773 71.796 -8.856 1.00 50.48 O +ATOM 348 N HIS D 118 -20.707 72.330 -8.182 1.00 45.47 N +ATOM 349 CA HIS D 118 -20.799 73.706 -8.639 1.00 46.69 C +ATOM 350 C HIS D 118 -19.655 73.979 -9.602 1.00 40.91 C +ATOM 351 O HIS D 118 -18.482 73.947 -9.206 1.00 34.91 O +ATOM 352 CB HIS D 118 -20.795 74.668 -7.441 1.00 51.90 C +ATOM 353 CG HIS D 118 -21.925 74.429 -6.486 1.00 59.66 C +ATOM 354 ND1 HIS D 118 -23.154 75.044 -6.614 1.00 61.55 N +ATOM 355 CD2 HIS D 118 -22.025 73.614 -5.407 1.00 62.21 C +ATOM 356 CE1 HIS D 118 -23.956 74.630 -5.648 1.00 62.30 C +ATOM 357 NE2 HIS D 118 -23.296 73.759 -4.904 1.00 62.51 N +ATOM 358 N GLN D 119 -20.007 74.201 -10.873 1.00 31.59 N +ATOM 359 CA GLN D 119 -19.029 74.474 -11.920 1.00 32.42 C +ATOM 360 C GLN D 119 -17.935 73.406 -11.892 1.00 26.81 C +ATOM 361 O GLN D 119 -18.221 72.230 -11.730 1.00 22.50 O +ATOM 362 CB GLN D 119 -18.438 75.876 -11.764 1.00 37.56 C +ATOM 363 CG GLN D 119 -19.441 76.994 -12.012 1.00 45.19 C +ATOM 364 CD GLN D 119 -20.196 77.375 -10.757 1.00 52.87 C +ATOM 365 OE1 GLN D 119 -19.653 78.055 -9.887 1.00 59.69 O +ATOM 366 NE2 GLN D 119 -21.446 76.932 -10.652 1.00 54.61 N +ATOM 367 N ASP D 120 -16.681 73.798 -12.032 1.00 22.85 N +ATOM 368 CA ASP D 120 -15.651 72.791 -12.016 1.00 24.01 C +ATOM 369 C ASP D 120 -14.886 72.827 -10.698 1.00 24.26 C +ATOM 370 O ASP D 120 -13.695 72.503 -10.650 1.00 18.97 O +ATOM 371 CB ASP D 120 -14.749 72.892 -13.254 1.00 25.45 C +ATOM 372 CG ASP D 120 -13.865 74.124 -13.251 1.00 27.18 C +ATOM 373 OD1 ASP D 120 -14.130 75.069 -12.478 1.00 25.71 O +ATOM 374 OD2 ASP D 120 -12.875 74.232 -14.003 1.00 32.74 O +ATOM 375 N LYS D 121 -15.592 73.217 -9.638 1.00 22.34 N +ATOM 376 CA LYS D 121 -15.006 73.317 -8.307 1.00 21.88 C +ATOM 377 C LYS D 121 -14.823 71.963 -7.687 1.00 22.27 C +ATOM 378 O LYS D 121 -15.728 71.131 -7.699 1.00 22.85 O +ATOM 379 CB LYS D 121 -15.864 74.179 -7.388 1.00 23.05 C +ATOM 380 CG LYS D 121 -15.921 75.619 -7.831 1.00 30.66 C +ATOM 381 CD LYS D 121 -16.831 76.437 -6.951 1.00 32.20 C +ATOM 382 CE LYS D 121 -17.251 77.704 -7.678 1.00 38.64 C +ATOM 383 NZ LYS D 121 -17.830 78.694 -6.732 1.00 45.65 N +ATOM 384 N VAL D 122 -13.642 71.745 -7.130 1.00 21.94 N +ATOM 385 CA VAL D 122 -13.360 70.506 -6.429 1.00 20.78 C +ATOM 386 C VAL D 122 -12.760 70.804 -5.063 1.00 22.50 C +ATOM 387 O VAL D 122 -12.215 71.879 -4.823 1.00 22.17 O +ATOM 388 CB VAL D 122 -12.413 69.579 -7.223 1.00 21.79 C +ATOM 389 CG1 VAL D 122 -13.030 69.194 -8.571 1.00 21.10 C +ATOM 390 CG2 VAL D 122 -11.050 70.218 -7.413 1.00 19.71 C +ATOM 391 N ARG D 123 -12.881 69.840 -4.168 1.00 22.67 N +ATOM 392 CA ARG D 123 -12.207 69.905 -2.897 1.00 19.14 C +ATOM 393 C ARG D 123 -11.562 68.571 -2.656 1.00 19.69 C +ATOM 394 O ARG D 123 -12.072 67.535 -3.086 1.00 20.68 O +ATOM 395 CB ARG D 123 -13.189 70.240 -1.781 1.00 20.98 C +ATOM 396 CG ARG D 123 -13.577 71.708 -1.761 1.00 24.07 C +ATOM 397 CD ARG D 123 -14.026 72.154 -0.418 1.00 28.96 C +ATOM 398 NE ARG D 123 -14.528 73.518 -0.412 1.00 28.81 N +ATOM 399 CZ ARG D 123 -13.839 74.588 -0.039 1.00 30.67 C +ATOM 400 NH1 ARG D 123 -12.571 74.493 0.373 1.00 25.27 N +ATOM 401 NH2 ARG D 123 -14.433 75.771 -0.081 1.00 30.20 N +ATOM 402 N CYS D 124 -10.414 68.599 -1.991 1.00 13.85 N +ATOM 403 CA CYS D 124 -9.727 67.381 -1.643 1.00 17.40 C +ATOM 404 C CYS D 124 -10.456 66.834 -0.445 1.00 18.23 C +ATOM 405 O CYS D 124 -10.805 67.602 0.437 1.00 18.16 O +ATOM 406 CB CYS D 124 -8.284 67.683 -1.253 1.00 15.90 C +ATOM 407 SG CYS D 124 -7.483 66.260 -0.511 1.00 21.93 S +ATOM 408 N PHE D 125 -10.685 65.524 -0.405 1.00 20.03 N +ATOM 409 CA PHE D 125 -11.362 64.914 0.746 1.00 21.98 C +ATOM 410 C PHE D 125 -10.547 65.087 2.025 1.00 27.07 C +ATOM 411 O PHE D 125 -11.110 65.191 3.127 1.00 25.11 O +ATOM 412 CB PHE D 125 -11.643 63.424 0.499 1.00 18.23 C +ATOM 413 CG PHE D 125 -10.470 62.524 0.767 1.00 20.59 C +ATOM 414 CD1 PHE D 125 -9.489 62.335 -0.200 1.00 18.48 C +ATOM 415 CD2 PHE D 125 -10.345 61.860 1.994 1.00 22.85 C +ATOM 416 CE1 PHE D 125 -8.388 61.515 0.046 1.00 22.86 C +ATOM 417 CE2 PHE D 125 -9.245 61.031 2.264 1.00 20.92 C +ATOM 418 CZ PHE D 125 -8.261 60.853 1.293 1.00 24.47 C +ATOM 419 N PHE D 126 -9.220 65.121 1.882 1.00 26.25 N +ATOM 420 CA PHE D 126 -8.354 65.217 3.049 1.00 21.46 C +ATOM 421 C PHE D 126 -8.155 66.612 3.590 1.00 21.34 C +ATOM 422 O PHE D 126 -8.565 66.897 4.709 1.00 22.72 O +ATOM 423 CB PHE D 126 -7.005 64.526 2.836 1.00 27.51 C +ATOM 424 CG PHE D 126 -6.389 64.086 4.113 1.00 26.68 C +ATOM 425 CD1 PHE D 126 -5.731 64.999 4.919 1.00 25.63 C +ATOM 426 CD2 PHE D 126 -6.541 62.782 4.556 1.00 27.63 C +ATOM 427 CE1 PHE D 126 -5.216 64.610 6.139 1.00 27.69 C +ATOM 428 CE2 PHE D 126 -6.011 62.386 5.777 1.00 27.90 C +ATOM 429 CZ PHE D 126 -5.348 63.313 6.562 1.00 25.87 C +ATOM 430 N CYS D 127 -7.523 67.480 2.802 1.00 19.90 N +ATOM 431 CA CYS D 127 -7.197 68.819 3.260 1.00 22.51 C +ATOM 432 C CYS D 127 -8.332 69.805 3.006 1.00 25.02 C +ATOM 433 O CYS D 127 -8.292 70.947 3.489 1.00 20.44 O +ATOM 434 CB CYS D 127 -5.915 69.320 2.577 1.00 23.18 C +ATOM 435 SG CYS D 127 -6.029 69.495 0.779 1.00 18.74 S +ATOM 436 N TYR D 128 -9.331 69.374 2.232 1.00 24.40 N +ATOM 437 CA TYR D 128 -10.452 70.237 1.862 1.00 22.47 C +ATOM 438 C TYR D 128 -10.033 71.419 0.992 1.00 22.08 C +ATOM 439 O TYR D 128 -10.791 72.371 0.822 1.00 22.23 O +ATOM 440 CB TYR D 128 -11.189 70.743 3.106 1.00 22.13 C +ATOM 441 CG TYR D 128 -12.669 70.911 2.892 1.00 27.07 C +ATOM 442 CD1 TYR D 128 -13.468 69.823 2.529 1.00 29.75 C +ATOM 443 CD2 TYR D 128 -13.273 72.153 3.055 1.00 30.45 C +ATOM 444 CE1 TYR D 128 -14.829 69.970 2.323 1.00 33.65 C +ATOM 445 CE2 TYR D 128 -14.637 72.317 2.859 1.00 32.05 C +ATOM 446 CZ TYR D 128 -15.410 71.219 2.492 1.00 34.96 C +ATOM 447 OH TYR D 128 -16.761 71.380 2.294 1.00 35.47 O +ATOM 448 N GLY D 129 -8.825 71.352 0.446 1.00 25.28 N +ATOM 449 CA GLY D 129 -8.352 72.348 -0.494 1.00 20.44 C +ATOM 450 C GLY D 129 -9.259 72.423 -1.711 1.00 24.06 C +ATOM 451 O GLY D 129 -9.548 71.407 -2.353 1.00 21.74 O +ATOM 452 N GLY D 130 -9.707 73.636 -2.009 1.00 22.68 N +ATOM 453 CA GLY D 130 -10.651 73.878 -3.071 1.00 24.57 C +ATOM 454 C GLY D 130 -9.990 74.506 -4.278 1.00 24.61 C +ATOM 455 O GLY D 130 -9.319 75.531 -4.170 1.00 23.75 O +ATOM 456 N LEU D 131 -10.194 73.883 -5.434 1.00 21.42 N +ATOM 457 CA LEU D 131 -9.640 74.371 -6.686 1.00 21.63 C +ATOM 458 C LEU D 131 -10.728 74.420 -7.734 1.00 25.59 C +ATOM 459 O LEU D 131 -11.669 73.630 -7.694 1.00 22.63 O +ATOM 460 CB LEU D 131 -8.509 73.462 -7.168 1.00 23.59 C +ATOM 461 CG LEU D 131 -7.214 73.435 -6.354 1.00 25.31 C +ATOM 462 CD1 LEU D 131 -6.204 72.489 -6.995 1.00 21.60 C +ATOM 463 CD2 LEU D 131 -6.625 74.839 -6.225 1.00 24.14 C +ATOM 464 N GLN D 132 -10.586 75.352 -8.675 1.00 26.15 N +ATOM 465 CA GLN D 132 -11.521 75.498 -9.777 1.00 28.55 C +ATOM 466 C GLN D 132 -10.803 76.088 -10.981 1.00 30.63 C +ATOM 467 O GLN D 132 -9.589 76.339 -10.922 1.00 28.47 O +ATOM 468 CB GLN D 132 -12.684 76.404 -9.369 1.00 32.12 C +ATOM 469 CG GLN D 132 -12.269 77.818 -9.002 1.00 33.69 C +ATOM 470 CD GLN D 132 -13.433 78.626 -8.489 1.00 38.12 C +ATOM 471 OE1 GLN D 132 -13.892 78.417 -7.370 1.00 39.36 O +ATOM 472 NE2 GLN D 132 -13.925 79.540 -9.310 1.00 36.68 N +ATOM 473 N SER D 133 -11.567 76.320 -12.053 1.00 26.97 N +ATOM 474 CA SER D 133 -11.071 76.913 -13.293 1.00 30.41 C +ATOM 475 C SER D 133 -9.905 76.085 -13.813 1.00 33.14 C +ATOM 476 O SER D 133 -8.820 76.610 -14.083 1.00 29.62 O +ATOM 477 CB SER D 133 -10.667 78.381 -13.099 1.00 33.15 C +ATOM 478 OG SER D 133 -11.655 79.112 -12.391 1.00 39.92 O +ATOM 479 N TRP D 134 -10.148 74.779 -13.939 1.00 32.60 N +ATOM 480 CA TRP D 134 -9.133 73.828 -14.376 1.00 28.38 C +ATOM 481 C TRP D 134 -8.878 74.025 -15.853 1.00 26.24 C +ATOM 482 O TRP D 134 -9.808 74.144 -16.624 1.00 28.00 O +ATOM 483 CB TRP D 134 -9.607 72.399 -14.108 1.00 26.65 C +ATOM 484 CG TRP D 134 -9.630 72.070 -12.656 1.00 24.24 C +ATOM 485 CD1 TRP D 134 -10.664 72.265 -11.774 1.00 24.01 C +ATOM 486 CD2 TRP D 134 -8.564 71.510 -11.906 1.00 21.21 C +ATOM 487 NE1 TRP D 134 -10.301 71.839 -10.520 1.00 21.54 N +ATOM 488 CE2 TRP D 134 -9.011 71.375 -10.574 1.00 18.90 C +ATOM 489 CE3 TRP D 134 -7.267 71.079 -12.230 1.00 22.65 C +ATOM 490 CZ2 TRP D 134 -8.211 70.849 -9.572 1.00 20.37 C +ATOM 491 CZ3 TRP D 134 -6.475 70.546 -11.234 1.00 25.28 C +ATOM 492 CH2 TRP D 134 -6.949 70.430 -9.920 1.00 25.24 C +ATOM 493 N LYS D 135 -7.611 74.068 -16.239 1.00 30.06 N +ATOM 494 CA LYS D 135 -7.242 74.295 -17.627 1.00 30.48 C +ATOM 495 C LYS D 135 -6.632 73.044 -18.216 1.00 29.42 C +ATOM 496 O LYS D 135 -6.057 72.214 -17.499 1.00 29.87 O +ATOM 497 CB LYS D 135 -6.254 75.458 -17.730 1.00 39.68 C +ATOM 498 CG LYS D 135 -6.889 76.825 -17.501 1.00 48.48 C +ATOM 499 CD LYS D 135 -5.987 77.714 -16.656 1.00 57.43 C +ATOM 500 CE LYS D 135 -6.486 79.159 -16.618 1.00 62.27 C +ATOM 501 NZ LYS D 135 -7.800 79.292 -15.926 1.00 63.45 N +ATOM 502 N ARG D 136 -6.761 72.914 -19.531 1.00 27.02 N +ATOM 503 CA ARG D 136 -6.259 71.766 -20.258 1.00 32.97 C +ATOM 504 C ARG D 136 -4.797 71.545 -19.898 1.00 32.72 C +ATOM 505 O ARG D 136 -4.001 72.481 -19.889 1.00 34.94 O +ATOM 506 CB ARG D 136 -6.430 71.988 -21.764 1.00 40.26 C +ATOM 507 CG ARG D 136 -5.827 70.898 -22.640 1.00 52.77 C +ATOM 508 CD ARG D 136 -5.659 71.303 -24.099 1.00 63.77 C +ATOM 509 NE ARG D 136 -4.816 70.361 -24.839 1.00 72.75 N +ATOM 510 CZ ARG D 136 -3.763 70.708 -25.574 1.00 78.86 C +ATOM 511 NH1 ARG D 136 -3.403 71.984 -25.681 1.00 80.84 N +ATOM 512 NH2 ARG D 136 -3.064 69.776 -26.209 1.00 81.56 N +ATOM 513 N GLY D 137 -4.458 70.304 -19.584 1.00 36.84 N +ATOM 514 CA GLY D 137 -3.103 69.967 -19.187 1.00 40.07 C +ATOM 515 C GLY D 137 -2.773 70.195 -17.718 1.00 38.78 C +ATOM 516 O GLY D 137 -1.697 69.785 -17.276 1.00 37.34 O +ATOM 517 N ASP D 138 -3.667 70.846 -16.963 1.00 33.98 N +ATOM 518 CA ASP D 138 -3.461 70.973 -15.520 1.00 34.67 C +ATOM 519 C ASP D 138 -3.382 69.580 -14.950 1.00 31.57 C +ATOM 520 O ASP D 138 -4.209 68.718 -15.263 1.00 35.67 O +ATOM 521 CB ASP D 138 -4.599 71.716 -14.826 1.00 33.22 C +ATOM 522 CG ASP D 138 -4.427 73.210 -14.856 1.00 35.26 C +ATOM 523 OD1 ASP D 138 -3.447 73.721 -15.449 1.00 39.20 O +ATOM 524 OD2 ASP D 138 -5.251 73.965 -14.325 1.00 36.56 O +ATOM 525 N ASP D 139 -2.368 69.358 -14.134 1.00 29.85 N +ATOM 526 CA ASP D 139 -2.203 68.075 -13.488 1.00 30.39 C +ATOM 527 C ASP D 139 -2.709 68.178 -12.044 1.00 26.93 C +ATOM 528 O ASP D 139 -2.140 68.906 -11.231 1.00 32.72 O +ATOM 529 CB ASP D 139 -0.743 67.641 -13.551 1.00 29.46 C +ATOM 530 CG ASP D 139 -0.505 66.343 -12.838 1.00 35.25 C +ATOM 531 OD1 ASP D 139 -0.989 65.263 -13.220 1.00 40.28 O +ATOM 532 OD2 ASP D 139 0.183 66.360 -11.802 1.00 39.66 O +ATOM 533 N PRO D 140 -3.788 67.467 -11.729 1.00 27.41 N +ATOM 534 CA PRO D 140 -4.391 67.543 -10.393 1.00 25.53 C +ATOM 535 C PRO D 140 -3.397 67.309 -9.247 1.00 26.91 C +ATOM 536 O PRO D 140 -3.420 68.082 -8.289 1.00 25.25 O +ATOM 537 CB PRO D 140 -5.482 66.483 -10.446 1.00 24.26 C +ATOM 538 CG PRO D 140 -5.874 66.474 -11.923 1.00 24.38 C +ATOM 539 CD PRO D 140 -4.546 66.575 -12.631 1.00 24.66 C +ATOM 540 N TRP D 141 -2.526 66.307 -9.354 1.00 24.34 N +ATOM 541 CA TRP D 141 -1.501 66.093 -8.329 1.00 23.49 C +ATOM 542 C TRP D 141 -0.614 67.319 -8.095 1.00 23.61 C +ATOM 543 O TRP D 141 -0.396 67.730 -6.958 1.00 26.05 O +ATOM 544 CB TRP D 141 -0.644 64.889 -8.693 1.00 24.71 C +ATOM 545 CG TRP D 141 -1.258 63.579 -8.298 1.00 22.73 C +ATOM 546 CD1 TRP D 141 -1.461 62.500 -9.103 1.00 25.20 C +ATOM 547 CD2 TRP D 141 -1.745 63.207 -7.000 1.00 22.06 C +ATOM 548 NE1 TRP D 141 -2.039 61.479 -8.387 1.00 26.15 N +ATOM 549 CE2 TRP D 141 -2.213 61.887 -7.090 1.00 22.48 C +ATOM 550 CE3 TRP D 141 -1.828 63.861 -5.763 1.00 23.12 C +ATOM 551 CZ2 TRP D 141 -2.747 61.203 -5.998 1.00 23.61 C +ATOM 552 CZ3 TRP D 141 -2.362 63.173 -4.675 1.00 22.41 C +ATOM 553 CH2 TRP D 141 -2.810 61.865 -4.805 1.00 21.86 C +ATOM 554 N THR D 142 -0.148 67.917 -9.188 1.00 21.94 N +ATOM 555 CA THR D 142 0.719 69.091 -9.159 1.00 23.14 C +ATOM 556 C THR D 142 0.016 70.292 -8.559 1.00 22.42 C +ATOM 557 O THR D 142 0.588 71.016 -7.737 1.00 24.79 O +ATOM 558 CB THR D 142 1.170 69.401 -10.595 1.00 22.46 C +ATOM 559 OG1 THR D 142 1.912 68.282 -11.083 1.00 26.51 O +ATOM 560 CG2 THR D 142 2.156 70.546 -10.629 1.00 23.36 C +ATOM 561 N GLU D 143 -1.233 70.494 -8.966 1.00 20.86 N +ATOM 562 CA GLU D 143 -2.043 71.571 -8.417 1.00 23.60 C +ATOM 563 C GLU D 143 -2.263 71.350 -6.932 1.00 24.91 C +ATOM 564 O GLU D 143 -2.197 72.286 -6.141 1.00 28.09 O +ATOM 565 CB GLU D 143 -3.396 71.625 -9.123 1.00 24.81 C +ATOM 566 CG GLU D 143 -3.319 72.063 -10.571 1.00 26.42 C +ATOM 567 CD GLU D 143 -2.593 73.378 -10.736 1.00 32.66 C +ATOM 568 OE1 GLU D 143 -2.906 74.342 -9.993 1.00 28.75 O +ATOM 569 OE2 GLU D 143 -1.692 73.430 -11.604 1.00 37.63 O +ATOM 570 N HIS D 144 -2.533 70.101 -6.567 1.00 21.86 N +ATOM 571 CA HIS D 144 -2.707 69.724 -5.175 1.00 22.60 C +ATOM 572 C HIS D 144 -1.449 70.101 -4.376 1.00 25.05 C +ATOM 573 O HIS D 144 -1.539 70.651 -3.285 1.00 28.75 O +ATOM 574 CB HIS D 144 -2.966 68.228 -5.108 1.00 16.67 C +ATOM 575 CG HIS D 144 -3.757 67.789 -3.914 1.00 18.74 C +ATOM 576 ND1 HIS D 144 -4.501 66.630 -3.915 1.00 20.41 N +ATOM 577 CD2 HIS D 144 -3.864 68.303 -2.667 1.00 17.72 C +ATOM 578 CE1 HIS D 144 -5.046 66.457 -2.726 1.00 21.51 C +ATOM 579 NE2 HIS D 144 -4.676 67.460 -1.951 1.00 19.57 N +ATOM 580 N ALA D 145 -0.281 69.830 -4.948 1.00 24.51 N +ATOM 581 CA ALA D 145 0.982 70.115 -4.276 1.00 26.86 C +ATOM 582 C ALA D 145 1.277 71.613 -4.229 1.00 25.72 C +ATOM 583 O ALA D 145 1.743 72.136 -3.219 1.00 27.29 O +ATOM 584 CB ALA D 145 2.114 69.355 -4.951 1.00 22.04 C +ATOM 585 N LYS D 146 0.966 72.301 -5.320 1.00 28.90 N +ATOM 586 CA LYS D 146 1.164 73.742 -5.413 1.00 30.64 C +ATOM 587 C LYS D 146 0.388 74.496 -4.336 1.00 32.78 C +ATOM 588 O LYS D 146 0.886 75.448 -3.737 1.00 33.09 O +ATOM 589 CB LYS D 146 0.740 74.222 -6.801 1.00 34.06 C +ATOM 590 CG LYS D 146 1.168 75.639 -7.132 1.00 41.91 C +ATOM 591 CD LYS D 146 0.490 76.167 -8.393 1.00 46.63 C +ATOM 592 CE LYS D 146 0.595 77.700 -8.457 1.00 50.17 C +ATOM 593 NZ LYS D 146 -0.022 78.284 -9.686 1.00 50.99 N +ATOM 594 N TRP D 147 -0.837 74.059 -4.084 1.00 31.47 N +ATOM 595 CA TRP D 147 -1.745 74.831 -3.254 1.00 26.34 C +ATOM 596 C TRP D 147 -1.876 74.326 -1.833 1.00 24.57 C +ATOM 597 O TRP D 147 -2.100 75.112 -0.922 1.00 27.34 O +ATOM 598 CB TRP D 147 -3.124 74.894 -3.922 1.00 28.59 C +ATOM 599 CG TRP D 147 -3.079 75.644 -5.200 1.00 29.73 C +ATOM 600 CD1 TRP D 147 -3.175 75.131 -6.453 1.00 27.56 C +ATOM 601 CD2 TRP D 147 -2.872 77.050 -5.353 1.00 29.53 C +ATOM 602 NE1 TRP D 147 -3.078 76.134 -7.384 1.00 31.75 N +ATOM 603 CE2 TRP D 147 -2.884 77.326 -6.735 1.00 31.11 C +ATOM 604 CE3 TRP D 147 -2.684 78.115 -4.456 1.00 30.57 C +ATOM 605 CZ2 TRP D 147 -2.719 78.619 -7.248 1.00 34.08 C +ATOM 606 CZ3 TRP D 147 -2.526 79.403 -4.959 1.00 31.67 C +ATOM 607 CH2 TRP D 147 -2.542 79.641 -6.346 1.00 35.78 C +ATOM 608 N PHE D 148 -1.758 73.016 -1.638 1.00 26.74 N +ATOM 609 CA PHE D 148 -2.008 72.431 -0.321 1.00 25.61 C +ATOM 610 C PHE D 148 -0.874 71.501 0.059 1.00 26.93 C +ATOM 611 O PHE D 148 -1.081 70.294 0.242 1.00 21.17 O +ATOM 612 CB PHE D 148 -3.369 71.719 -0.329 1.00 27.44 C +ATOM 613 CG PHE D 148 -4.416 72.457 -1.128 1.00 24.78 C +ATOM 614 CD1 PHE D 148 -4.856 73.715 -0.724 1.00 25.98 C +ATOM 615 CD2 PHE D 148 -4.943 71.909 -2.290 1.00 27.68 C +ATOM 616 CE1 PHE D 148 -5.798 74.420 -1.471 1.00 25.16 C +ATOM 617 CE2 PHE D 148 -5.904 72.593 -3.028 1.00 23.60 C +ATOM 618 CZ PHE D 148 -6.317 73.857 -2.628 1.00 21.64 C +ATOM 619 N PRO D 149 0.336 72.060 0.183 1.00 26.70 N +ATOM 620 CA PRO D 149 1.535 71.237 0.383 1.00 23.82 C +ATOM 621 C PRO D 149 1.495 70.371 1.645 1.00 25.69 C +ATOM 622 O PRO D 149 2.146 69.331 1.667 1.00 26.83 O +ATOM 623 CB PRO D 149 2.671 72.269 0.476 1.00 26.41 C +ATOM 624 CG PRO D 149 2.014 73.554 0.785 1.00 25.43 C +ATOM 625 CD PRO D 149 0.654 73.501 0.156 1.00 23.12 C +ATOM 626 N SER D 150 0.730 70.759 2.661 1.00 25.91 N +ATOM 627 CA SER D 150 0.719 69.991 3.906 1.00 25.74 C +ATOM 628 C SER D 150 -0.331 68.874 3.929 1.00 26.87 C +ATOM 629 O SER D 150 -0.454 68.135 4.917 1.00 24.15 O +ATOM 630 CB SER D 150 0.572 70.925 5.109 1.00 32.62 C +ATOM 631 OG SER D 150 -0.686 71.574 5.090 1.00 44.02 O +ATOM 632 N CYS D 151 -1.083 68.740 2.842 1.00 23.61 N +ATOM 633 CA CYS D 151 -2.092 67.689 2.749 1.00 20.27 C +ATOM 634 C CYS D 151 -1.474 66.318 2.921 1.00 23.38 C +ATOM 635 O CYS D 151 -0.609 65.913 2.141 1.00 24.04 O +ATOM 636 CB CYS D 151 -2.828 67.745 1.408 1.00 18.98 C +ATOM 637 SG CYS D 151 -3.962 66.358 1.264 1.00 23.58 S +ATOM 638 N GLN D 152 -1.954 65.585 3.921 1.00 25.41 N +ATOM 639 CA GLN D 152 -1.360 64.301 4.269 1.00 26.89 C +ATOM 640 C GLN D 152 -1.691 63.227 3.268 1.00 28.57 C +ATOM 641 O GLN D 152 -0.937 62.268 3.107 1.00 24.82 O +ATOM 642 CB GLN D 152 -1.783 63.872 5.670 1.00 29.36 C +ATOM 643 CG GLN D 152 -1.148 64.739 6.773 1.00 38.30 C +ATOM 644 CD GLN D 152 -1.852 64.584 8.107 1.00 41.46 C +ATOM 645 OE1 GLN D 152 -1.724 63.552 8.764 1.00 47.70 O +ATOM 646 NE2 GLN D 152 -2.608 65.597 8.500 1.00 43.36 N +ATOM 647 N PHE D 153 -2.824 63.381 2.588 1.00 26.67 N +ATOM 648 CA PHE D 153 -3.171 62.423 1.555 1.00 23.57 C +ATOM 649 C PHE D 153 -2.226 62.612 0.368 1.00 16.73 C +ATOM 650 O PHE D 153 -1.705 61.656 -0.178 1.00 21.58 O +ATOM 651 CB PHE D 153 -4.614 62.608 1.098 1.00 20.83 C +ATOM 652 CG PHE D 153 -4.931 61.848 -0.131 1.00 19.14 C +ATOM 653 CD1 PHE D 153 -5.028 60.455 -0.082 1.00 14.69 C +ATOM 654 CD2 PHE D 153 -5.070 62.504 -1.345 1.00 16.38 C +ATOM 655 CE1 PHE D 153 -5.305 59.727 -1.212 1.00 16.99 C +ATOM 656 CE2 PHE D 153 -5.352 61.781 -2.502 1.00 16.23 C +ATOM 657 CZ PHE D 153 -5.471 60.375 -2.431 1.00 16.40 C +ATOM 658 N LEU D 154 -2.041 63.865 -0.024 1.00 19.14 N +ATOM 659 CA LEU D 154 -1.068 64.222 -1.031 1.00 21.13 C +ATOM 660 C LEU D 154 0.301 63.675 -0.639 1.00 23.64 C +ATOM 661 O LEU D 154 0.911 62.929 -1.404 1.00 22.88 O +ATOM 662 CB LEU D 154 -1.041 65.744 -1.192 1.00 20.86 C +ATOM 663 CG LEU D 154 0.163 66.376 -1.888 1.00 23.07 C +ATOM 664 CD1 LEU D 154 0.190 66.033 -3.374 1.00 25.65 C +ATOM 665 CD2 LEU D 154 0.104 67.879 -1.686 1.00 24.06 C +ATOM 666 N LEU D 155 0.748 63.995 0.577 1.00 24.51 N +ATOM 667 CA LEU D 155 2.063 63.553 1.056 1.00 26.65 C +ATOM 668 C LEU D 155 2.237 62.036 1.080 1.00 27.18 C +ATOM 669 O LEU D 155 3.248 61.530 0.585 1.00 26.82 O +ATOM 670 CB LEU D 155 2.402 64.184 2.415 1.00 24.02 C +ATOM 671 CG LEU D 155 2.668 65.701 2.360 1.00 26.95 C +ATOM 672 CD1 LEU D 155 2.789 66.280 3.764 1.00 23.20 C +ATOM 673 CD2 LEU D 155 3.935 66.046 1.537 1.00 27.63 C +ATOM 674 N ARG D 156 1.249 61.314 1.607 1.00 26.21 N +ATOM 675 CA ARG D 156 1.293 59.852 1.627 1.00 29.89 C +ATOM 676 C ARG D 156 1.379 59.279 0.210 1.00 27.51 C +ATOM 677 O ARG D 156 2.105 58.312 -0.033 1.00 27.05 O +ATOM 678 CB ARG D 156 0.046 59.264 2.302 1.00 35.45 C +ATOM 679 CG ARG D 156 0.035 59.218 3.824 1.00 49.99 C +ATOM 680 CD ARG D 156 -1.162 58.428 4.418 1.00 55.99 C +ATOM 681 NE ARG D 156 -2.370 59.247 4.618 1.00 61.67 N +ATOM 682 CZ ARG D 156 -3.502 59.153 3.898 1.00 62.28 C +ATOM 683 NH1 ARG D 156 -3.623 58.282 2.900 1.00 58.28 N +ATOM 684 NH2 ARG D 156 -4.524 59.946 4.178 1.00 63.14 N +ATOM 685 N SER D 157 0.625 59.869 -0.717 1.00 24.37 N +ATOM 686 CA SER D 157 0.529 59.324 -2.067 1.00 25.25 C +ATOM 687 C SER D 157 1.749 59.687 -2.883 1.00 20.84 C +ATOM 688 O SER D 157 2.338 58.827 -3.517 1.00 21.57 O +ATOM 689 CB SER D 157 -0.723 59.836 -2.810 1.00 26.57 C +ATOM 690 OG SER D 157 -1.863 59.870 -1.981 1.00 28.32 O +ATOM 691 N LYS D 158 2.113 60.966 -2.863 1.00 23.02 N +ATOM 692 CA LYS D 158 3.107 61.497 -3.796 1.00 25.10 C +ATOM 693 C LYS D 158 4.472 61.747 -3.178 1.00 28.33 C +ATOM 694 O LYS D 158 5.442 61.902 -3.913 1.00 23.79 O +ATOM 695 CB LYS D 158 2.596 62.775 -4.473 1.00 26.73 C +ATOM 696 CG LYS D 158 1.394 62.544 -5.389 1.00 35.14 C +ATOM 697 CD LYS D 158 1.798 61.936 -6.731 1.00 38.03 C +ATOM 698 CE LYS D 158 1.569 60.432 -6.745 1.00 42.47 C +ATOM 699 NZ LYS D 158 0.832 59.929 -7.958 1.00 42.54 N +ATOM 700 N GLY D 159 4.534 61.795 -1.843 1.00 26.16 N +ATOM 701 CA GLY D 159 5.786 61.990 -1.129 1.00 28.92 C +ATOM 702 C GLY D 159 6.163 63.438 -0.920 1.00 27.85 C +ATOM 703 O GLY D 159 5.734 64.313 -1.669 1.00 25.15 O +ATOM 704 N ARG D 160 6.982 63.687 0.101 1.00 29.66 N +ATOM 705 CA ARG D 160 7.488 65.027 0.396 1.00 30.01 C +ATOM 706 C ARG D 160 8.349 65.576 -0.739 1.00 29.74 C +ATOM 707 O ARG D 160 8.323 66.783 -1.032 1.00 28.46 O +ATOM 708 CB ARG D 160 8.278 65.011 1.701 1.00 40.13 C +ATOM 709 CG ARG D 160 8.325 66.336 2.431 1.00 54.93 C +ATOM 710 CD ARG D 160 9.214 66.348 3.681 1.00 64.74 C +ATOM 711 NE ARG D 160 9.227 65.063 4.386 1.00 71.02 N +ATOM 712 CZ ARG D 160 10.304 64.292 4.533 1.00 74.84 C +ATOM 713 NH1 ARG D 160 11.476 64.664 4.021 1.00 75.22 N +ATOM 714 NH2 ARG D 160 10.209 63.142 5.191 1.00 75.82 N +ATOM 715 N ASP D 161 9.097 64.698 -1.400 1.00 25.70 N +ATOM 716 CA ASP D 161 9.962 65.164 -2.472 1.00 31.63 C +ATOM 717 C ASP D 161 9.178 65.818 -3.598 1.00 31.34 C +ATOM 718 O ASP D 161 9.541 66.904 -4.068 1.00 29.52 O +ATOM 719 CB ASP D 161 10.830 64.031 -3.007 1.00 40.11 C +ATOM 720 CG ASP D 161 11.986 63.714 -2.092 1.00 46.17 C +ATOM 721 OD1 ASP D 161 12.000 64.223 -0.937 1.00 47.98 O +ATOM 722 OD2 ASP D 161 12.919 62.960 -2.443 1.00 48.28 O +ATOM 723 N PHE D 162 8.107 65.154 -4.026 1.00 27.42 N +ATOM 724 CA PHE D 162 7.274 65.667 -5.109 1.00 26.11 C +ATOM 725 C PHE D 162 6.727 67.032 -4.740 1.00 23.86 C +ATOM 726 O PHE D 162 6.803 67.962 -5.525 1.00 29.55 O +ATOM 727 CB PHE D 162 6.134 64.700 -5.409 1.00 26.97 C +ATOM 728 CG PHE D 162 5.114 65.237 -6.374 1.00 28.05 C +ATOM 729 CD1 PHE D 162 5.353 65.212 -7.752 1.00 25.85 C +ATOM 730 CD2 PHE D 162 3.906 65.759 -5.906 1.00 27.42 C +ATOM 731 CE1 PHE D 162 4.393 65.695 -8.648 1.00 31.70 C +ATOM 732 CE2 PHE D 162 2.939 66.246 -6.795 1.00 25.84 C +ATOM 733 CZ PHE D 162 3.181 66.219 -8.160 1.00 25.81 C +ATOM 734 N VAL D 163 6.194 67.150 -3.532 1.00 23.75 N +ATOM 735 CA VAL D 163 5.576 68.392 -3.080 1.00 28.01 C +ATOM 736 C VAL D 163 6.603 69.519 -2.971 1.00 33.00 C +ATOM 737 O VAL D 163 6.351 70.660 -3.402 1.00 31.86 O +ATOM 738 CB VAL D 163 4.865 68.180 -1.729 1.00 29.12 C +ATOM 739 CG1 VAL D 163 4.243 69.469 -1.231 1.00 29.67 C +ATOM 740 CG2 VAL D 163 3.806 67.088 -1.855 1.00 28.22 C +ATOM 741 N HIS D 164 7.758 69.188 -2.397 1.00 32.58 N +ATOM 742 CA HIS D 164 8.866 70.127 -2.269 1.00 36.53 C +ATOM 743 C HIS D 164 9.297 70.621 -3.644 1.00 34.33 C +ATOM 744 O HIS D 164 9.497 71.816 -3.840 1.00 38.12 O +ATOM 745 CB HIS D 164 10.043 69.467 -1.548 1.00 41.54 C +ATOM 746 CG HIS D 164 11.138 70.417 -1.180 1.00 50.65 C +ATOM 747 ND1 HIS D 164 12.213 70.671 -2.007 1.00 55.13 N +ATOM 748 CD2 HIS D 164 11.328 71.172 -0.071 1.00 54.32 C +ATOM 749 CE1 HIS D 164 13.014 71.546 -1.425 1.00 57.75 C +ATOM 750 NE2 HIS D 164 12.500 71.867 -0.251 1.00 57.66 N +ATOM 751 N SER D 165 9.410 69.703 -4.596 1.00 31.09 N +ATOM 752 CA SER D 165 9.836 70.059 -5.943 1.00 36.04 C +ATOM 753 C SER D 165 8.814 70.976 -6.631 1.00 39.12 C +ATOM 754 O SER D 165 9.190 71.930 -7.313 1.00 41.31 O +ATOM 755 CB SER D 165 10.116 68.802 -6.765 1.00 38.09 C +ATOM 756 OG SER D 165 9.240 68.711 -7.869 1.00 49.46 O +ATOM 757 N VAL D 166 7.527 70.699 -6.425 1.00 35.74 N +ATOM 758 CA VAL D 166 6.460 71.547 -6.953 1.00 33.87 C +ATOM 759 C VAL D 166 6.464 72.921 -6.276 1.00 36.90 C +ATOM 760 O VAL D 166 6.265 73.934 -6.940 1.00 37.45 O +ATOM 761 CB VAL D 166 5.078 70.858 -6.822 1.00 32.25 C +ATOM 762 CG1 VAL D 166 3.931 71.832 -7.109 1.00 26.47 C +ATOM 763 CG2 VAL D 166 5.014 69.658 -7.748 1.00 27.14 C +ATOM 764 N GLN D 167 6.703 72.946 -4.965 1.00 41.34 N +ATOM 765 CA GLN D 167 6.705 74.192 -4.198 1.00 49.39 C +ATOM 766 C GLN D 167 7.837 75.123 -4.617 1.00 58.35 C +ATOM 767 O GLN D 167 7.711 76.345 -4.516 1.00 60.79 O +ATOM 768 CB GLN D 167 6.804 73.917 -2.694 1.00 46.86 C +ATOM 769 CG GLN D 167 5.487 73.552 -2.020 1.00 44.17 C +ATOM 770 CD GLN D 167 4.483 74.692 -2.019 1.00 45.87 C +ATOM 771 OE1 GLN D 167 4.729 75.741 -1.424 1.00 49.56 O +ATOM 772 NE2 GLN D 167 3.348 74.486 -2.680 1.00 43.19 N +ATOM 773 N GLU D 168 8.935 74.540 -5.089 1.00 65.86 N +ATOM 774 CA GLU D 168 10.113 75.308 -5.476 1.00 74.34 C +ATOM 775 C GLU D 168 10.007 75.891 -6.885 1.00 77.69 C +ATOM 776 O GLU D 168 10.599 76.935 -7.172 1.00 80.27 O +ATOM 777 CB GLU D 168 11.381 74.468 -5.330 1.00 77.79 C +ATOM 778 CG GLU D 168 12.237 74.874 -4.142 1.00 81.73 C +ATOM 779 CD GLU D 168 13.540 74.099 -4.050 1.00 85.06 C +ATOM 780 OE1 GLU D 168 13.777 73.197 -4.892 1.00 86.21 O +ATOM 781 OE2 GLU D 168 14.329 74.396 -3.127 1.00 85.21 O +ATOM 782 N THR D 169 9.269 75.214 -7.764 1.00 79.81 N +ATOM 783 CA THR D 169 8.906 75.791 -9.055 1.00 82.28 C +ATOM 784 C THR D 169 7.713 76.724 -8.829 1.00 85.54 C +ATOM 785 O THR D 169 6.632 76.518 -9.383 1.00 86.04 O +ATOM 786 CB THR D 169 8.596 74.692 -10.113 1.00 82.34 C +ATOM 787 OG1 THR D 169 7.442 73.942 -9.718 1.00 84.35 O +ATOM 788 CG2 THR D 169 9.699 73.637 -10.160 1.00 81.77 C +ATOM 789 N HIS D 170 7.945 77.744 -7.996 1.00 90.33 N +ATOM 790 CA HIS D 170 6.930 78.680 -7.481 1.00 95.19 C +ATOM 791 C HIS D 170 5.527 78.560 -8.085 1.00 95.71 C +ATOM 792 O HIS D 170 4.637 77.945 -7.492 1.00 95.73 O +ATOM 793 CB HIS D 170 7.428 80.137 -7.561 1.00 98.85 C +ATOM 794 CG HIS D 170 8.361 80.406 -8.705 1.00101.76 C +ATOM 795 ND1 HIS D 170 7.930 80.513 -10.011 1.00102.38 N +ATOM 796 CD2 HIS D 170 9.703 80.596 -8.736 1.00102.45 C +ATOM 797 CE1 HIS D 170 8.965 80.753 -10.797 1.00102.42 C +ATOM 798 NE2 HIS D 170 10.053 80.808 -10.048 1.00102.47 N Added: SwiftApps/modFTdock/input/1q02-1.pdb =================================================================== --- SwiftApps/modFTdock/input/1q02-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/1q02-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,795 @@ +ATOM 1 N GLY A 1 22.381 14.241 2.970 1.00 0.00 N +ATOM 2 CA GLY A 1 21.096 14.737 2.405 1.00 0.00 C +ATOM 3 C GLY A 1 19.937 13.907 2.963 1.00 0.00 C +ATOM 4 O GLY A 1 20.093 12.748 3.291 1.00 0.00 O +ATOM 5 H1 GLY A 1 22.233 13.933 3.952 1.00 0.00 H +ATOM 6 H2 GLY A 1 23.087 15.006 2.948 1.00 0.00 H +ATOM 7 H3 GLY A 1 22.722 13.437 2.406 1.00 0.00 H +ATOM 8 HA2 GLY A 1 20.960 15.775 2.675 1.00 0.00 H +ATOM 9 HA3 GLY A 1 21.115 14.644 1.330 1.00 0.00 H +ATOM 10 N SER A 2 18.775 14.490 3.073 1.00 0.00 N +ATOM 11 CA SER A 2 17.607 13.732 3.609 1.00 0.00 C +ATOM 12 C SER A 2 16.307 14.485 3.317 1.00 0.00 C +ATOM 13 O SER A 2 15.732 15.099 4.195 1.00 0.00 O +ATOM 14 CB SER A 2 17.848 13.643 5.115 1.00 0.00 C +ATOM 15 OG SER A 2 16.960 12.686 5.677 1.00 0.00 O +ATOM 16 H SER A 2 18.668 15.426 2.802 1.00 0.00 H +ATOM 17 HA SER A 2 17.573 12.743 3.182 1.00 0.00 H +ATOM 18 HB2 SER A 2 18.863 13.336 5.302 1.00 0.00 H +ATOM 19 HB3 SER A 2 17.679 14.613 5.564 1.00 0.00 H +ATOM 20 HG SER A 2 16.254 13.161 6.121 1.00 0.00 H +ATOM 21 N PRO A 3 15.886 14.410 2.083 1.00 0.00 N +ATOM 22 CA PRO A 3 14.638 15.093 1.661 1.00 0.00 C +ATOM 23 C PRO A 3 13.413 14.352 2.209 1.00 0.00 C +ATOM 24 O PRO A 3 13.251 13.170 1.983 1.00 0.00 O +ATOM 25 CB PRO A 3 14.686 15.012 0.138 1.00 0.00 C +ATOM 26 CG PRO A 3 15.550 13.827 -0.162 1.00 0.00 C +ATOM 27 CD PRO A 3 16.528 13.692 0.977 1.00 0.00 C +ATOM 28 HA PRO A 3 14.640 16.122 1.977 1.00 0.00 H +ATOM 29 HB2 PRO A 3 13.691 14.865 -0.259 1.00 0.00 H +ATOM 30 HB3 PRO A 3 15.129 15.905 -0.273 1.00 0.00 H +ATOM 31 HG2 PRO A 3 14.940 12.937 -0.236 1.00 0.00 H +ATOM 32 HG3 PRO A 3 16.086 13.986 -1.084 1.00 0.00 H +ATOM 33 HD2 PRO A 3 16.671 12.650 1.230 1.00 0.00 H +ATOM 34 HD3 PRO A 3 17.468 14.157 0.727 1.00 0.00 H +ATOM 35 N PRO A 4 12.588 15.079 2.915 1.00 0.00 N +ATOM 36 CA PRO A 4 11.363 14.484 3.502 1.00 0.00 C +ATOM 37 C PRO A 4 10.312 14.240 2.416 1.00 0.00 C +ATOM 38 O PRO A 4 9.228 13.760 2.684 1.00 0.00 O +ATOM 39 CB PRO A 4 10.887 15.547 4.487 1.00 0.00 C +ATOM 40 CG PRO A 4 11.447 16.835 3.972 1.00 0.00 C +ATOM 41 CD PRO A 4 12.717 16.506 3.231 1.00 0.00 C +ATOM 42 HA PRO A 4 11.593 13.571 4.024 1.00 0.00 H +ATOM 43 HB2 PRO A 4 9.807 15.584 4.506 1.00 0.00 H +ATOM 44 HB3 PRO A 4 11.275 15.345 5.475 1.00 0.00 H +ATOM 45 HG2 PRO A 4 10.737 17.301 3.302 1.00 0.00 H +ATOM 46 HG3 PRO A 4 11.668 17.498 4.794 1.00 0.00 H +ATOM 47 HD2 PRO A 4 12.788 17.093 2.325 1.00 0.00 H +ATOM 48 HD3 PRO A 4 13.578 16.671 3.860 1.00 0.00 H +ATOM 49 N GLU A 5 10.624 14.565 1.191 1.00 0.00 N +ATOM 50 CA GLU A 5 9.643 14.352 0.090 1.00 0.00 C +ATOM 51 C GLU A 5 10.030 13.126 -0.741 1.00 0.00 C +ATOM 52 O GLU A 5 9.871 13.106 -1.946 1.00 0.00 O +ATOM 53 CB GLU A 5 9.716 15.612 -0.756 1.00 0.00 C +ATOM 54 CG GLU A 5 8.345 16.290 -0.785 1.00 0.00 C +ATOM 55 CD GLU A 5 8.032 16.753 -2.210 1.00 0.00 C +ATOM 56 OE1 GLU A 5 8.773 16.389 -3.107 1.00 0.00 O +ATOM 57 OE2 GLU A 5 7.055 17.464 -2.378 1.00 0.00 O +ATOM 58 H GLU A 5 11.503 14.950 0.998 1.00 0.00 H +ATOM 59 HA GLU A 5 8.654 14.244 0.482 1.00 0.00 H +ATOM 60 HB2 GLU A 5 10.441 16.282 -0.329 1.00 0.00 H +ATOM 61 HB3 GLU A 5 10.006 15.350 -1.756 1.00 0.00 H +ATOM 62 HG2 GLU A 5 7.590 15.590 -0.460 1.00 0.00 H +ATOM 63 HG3 GLU A 5 8.352 17.145 -0.125 1.00 0.00 H +ATOM 64 N ALA A 6 10.537 12.105 -0.108 1.00 0.00 N +ATOM 65 CA ALA A 6 10.933 10.883 -0.865 1.00 0.00 C +ATOM 66 C ALA A 6 9.931 9.754 -0.612 1.00 0.00 C +ATOM 67 O ALA A 6 9.848 8.805 -1.366 1.00 0.00 O +ATOM 68 CB ALA A 6 12.312 10.509 -0.320 1.00 0.00 C +ATOM 69 H ALA A 6 10.657 12.140 0.863 1.00 0.00 H +ATOM 70 HA ALA A 6 11.000 11.099 -1.920 1.00 0.00 H +ATOM 71 HB1 ALA A 6 12.276 9.513 0.096 1.00 0.00 H +ATOM 72 HB2 ALA A 6 12.597 11.210 0.451 1.00 0.00 H +ATOM 73 HB3 ALA A 6 13.036 10.540 -1.120 1.00 0.00 H +ATOM 74 N ASP A 7 9.171 9.847 0.446 1.00 0.00 N +ATOM 75 CA ASP A 7 8.179 8.776 0.744 1.00 0.00 C +ATOM 76 C ASP A 7 8.883 7.418 0.819 1.00 0.00 C +ATOM 77 O ASP A 7 8.487 6.474 0.165 1.00 0.00 O +ATOM 78 CB ASP A 7 7.198 8.806 -0.428 1.00 0.00 C +ATOM 79 CG ASP A 7 5.805 9.181 0.079 1.00 0.00 C +ATOM 80 OD1 ASP A 7 5.719 9.732 1.164 1.00 0.00 O +ATOM 81 OD2 ASP A 7 4.846 8.910 -0.625 1.00 0.00 O +ATOM 82 H ASP A 7 9.255 10.619 1.044 1.00 0.00 H +ATOM 83 HA ASP A 7 7.661 8.985 1.667 1.00 0.00 H +ATOM 84 HB2 ASP A 7 7.526 9.537 -1.153 1.00 0.00 H +ATOM 85 HB3 ASP A 7 7.160 7.832 -0.891 1.00 0.00 H +ATOM 86 N PRO A 8 9.915 7.373 1.617 1.00 0.00 N +ATOM 87 CA PRO A 8 10.699 6.124 1.784 1.00 0.00 C +ATOM 88 C PRO A 8 9.910 5.093 2.596 1.00 0.00 C +ATOM 89 O PRO A 8 10.273 3.936 2.663 1.00 0.00 O +ATOM 90 CB PRO A 8 11.940 6.580 2.546 1.00 0.00 C +ATOM 91 CG PRO A 8 11.516 7.821 3.268 1.00 0.00 C +ATOM 92 CD PRO A 8 10.445 8.471 2.433 1.00 0.00 C +ATOM 93 HA PRO A 8 10.982 5.721 0.825 1.00 0.00 H +ATOM 94 HB2 PRO A 8 12.248 5.819 3.250 1.00 0.00 H +ATOM 95 HB3 PRO A 8 12.741 6.808 1.861 1.00 0.00 H +ATOM 96 HG2 PRO A 8 11.124 7.562 4.242 1.00 0.00 H +ATOM 97 HG3 PRO A 8 12.354 8.492 3.371 1.00 0.00 H +ATOM 98 HD2 PRO A 8 9.672 8.885 3.066 1.00 0.00 H +ATOM 99 HD3 PRO A 8 10.868 9.235 1.799 1.00 0.00 H +ATOM 100 N ARG A 9 8.836 5.500 3.218 1.00 0.00 N +ATOM 101 CA ARG A 9 8.038 4.543 4.023 1.00 0.00 C +ATOM 102 C ARG A 9 7.016 3.835 3.142 1.00 0.00 C +ATOM 103 O ARG A 9 6.469 2.812 3.504 1.00 0.00 O +ATOM 104 CB ARG A 9 7.347 5.407 5.076 1.00 0.00 C +ATOM 105 CG ARG A 9 6.649 6.590 4.401 1.00 0.00 C +ATOM 106 CD ARG A 9 7.413 7.880 4.712 1.00 0.00 C +ATOM 107 NE ARG A 9 6.429 8.749 5.416 1.00 0.00 N +ATOM 108 CZ ARG A 9 6.311 8.682 6.714 1.00 0.00 C +ATOM 109 NH1 ARG A 9 7.361 8.829 7.474 1.00 0.00 N +ATOM 110 NH2 ARG A 9 5.141 8.468 7.252 1.00 0.00 N +ATOM 111 H ARG A 9 8.556 6.433 3.161 1.00 0.00 H +ATOM 112 HA ARG A 9 8.681 3.824 4.493 1.00 0.00 H +ATOM 113 HB2 ARG A 9 6.620 4.816 5.593 1.00 0.00 H +ATOM 114 HB3 ARG A 9 8.080 5.776 5.777 1.00 0.00 H +ATOM 115 HG2 ARG A 9 6.627 6.433 3.332 1.00 0.00 H +ATOM 116 HG3 ARG A 9 5.641 6.673 4.773 1.00 0.00 H +ATOM 117 HD2 ARG A 9 8.259 7.669 5.353 1.00 0.00 H +ATOM 118 HD3 ARG A 9 7.739 8.354 3.799 1.00 0.00 H +ATOM 119 HE ARG A 9 5.872 9.371 4.904 1.00 0.00 H +ATOM 120 HH11 ARG A 9 8.258 8.995 7.062 1.00 0.00 H +ATOM 121 HH12 ARG A 9 7.270 8.777 8.469 1.00 0.00 H +ATOM 122 HH21 ARG A 9 4.336 8.355 6.670 1.00 0.00 H +ATOM 123 HH22 ARG A 9 5.050 8.417 8.246 1.00 0.00 H +ATOM 124 N LEU A 10 6.768 4.360 1.981 1.00 0.00 N +ATOM 125 CA LEU A 10 5.795 3.701 1.069 1.00 0.00 C +ATOM 126 C LEU A 10 6.446 2.445 0.492 1.00 0.00 C +ATOM 127 O LEU A 10 5.842 1.397 0.424 1.00 0.00 O +ATOM 128 CB LEU A 10 5.485 4.742 -0.020 1.00 0.00 C +ATOM 129 CG LEU A 10 5.233 4.056 -1.368 1.00 0.00 C +ATOM 130 CD1 LEU A 10 4.112 4.784 -2.110 1.00 0.00 C +ATOM 131 CD2 LEU A 10 6.512 4.102 -2.210 1.00 0.00 C +ATOM 132 H LEU A 10 7.232 5.175 1.706 1.00 0.00 H +ATOM 133 HA LEU A 10 4.894 3.445 1.605 1.00 0.00 H +ATOM 134 HB2 LEU A 10 4.602 5.299 0.264 1.00 0.00 H +ATOM 135 HB3 LEU A 10 6.321 5.421 -0.114 1.00 0.00 H +ATOM 136 HG LEU A 10 4.946 3.029 -1.202 1.00 0.00 H +ATOM 137 HD11 LEU A 10 3.328 5.042 -1.415 1.00 0.00 H +ATOM 138 HD12 LEU A 10 3.713 4.141 -2.881 1.00 0.00 H +ATOM 139 HD13 LEU A 10 4.504 5.685 -2.561 1.00 0.00 H +ATOM 140 HD21 LEU A 10 7.137 4.915 -1.871 1.00 0.00 H +ATOM 141 HD22 LEU A 10 6.255 4.254 -3.247 1.00 0.00 H +ATOM 142 HD23 LEU A 10 7.046 3.170 -2.104 1.00 0.00 H +ATOM 143 N ILE A 11 7.687 2.543 0.099 1.00 0.00 N +ATOM 144 CA ILE A 11 8.383 1.351 -0.450 1.00 0.00 C +ATOM 145 C ILE A 11 8.330 0.224 0.587 1.00 0.00 C +ATOM 146 O ILE A 11 8.054 -0.915 0.263 1.00 0.00 O +ATOM 147 CB ILE A 11 9.820 1.833 -0.730 1.00 0.00 C +ATOM 148 CG1 ILE A 11 10.050 1.879 -2.245 1.00 0.00 C +ATOM 149 CG2 ILE A 11 10.853 0.896 -0.095 1.00 0.00 C +ATOM 150 CD1 ILE A 11 9.820 0.489 -2.840 1.00 0.00 C +ATOM 151 H ILE A 11 8.165 3.394 0.179 1.00 0.00 H +ATOM 152 HA ILE A 11 7.911 1.035 -1.368 1.00 0.00 H +ATOM 153 HB ILE A 11 9.946 2.826 -0.324 1.00 0.00 H +ATOM 154 HG12 ILE A 11 9.361 2.581 -2.692 1.00 0.00 H +ATOM 155 HG13 ILE A 11 11.064 2.192 -2.446 1.00 0.00 H +ATOM 156 HG21 ILE A 11 10.809 0.991 0.979 1.00 0.00 H +ATOM 157 HG22 ILE A 11 11.841 1.161 -0.439 1.00 0.00 H +ATOM 158 HG23 ILE A 11 10.635 -0.124 -0.375 1.00 0.00 H +ATOM 159 HD11 ILE A 11 10.560 0.298 -3.605 1.00 0.00 H +ATOM 160 HD12 ILE A 11 8.833 0.442 -3.275 1.00 0.00 H +ATOM 161 HD13 ILE A 11 9.907 -0.255 -2.062 1.00 0.00 H +ATOM 162 N GLU A 12 8.577 0.532 1.834 1.00 0.00 N +ATOM 163 CA GLU A 12 8.520 -0.527 2.869 1.00 0.00 C +ATOM 164 C GLU A 12 7.176 -1.242 2.781 1.00 0.00 C +ATOM 165 O GLU A 12 7.106 -2.426 2.519 1.00 0.00 O +ATOM 166 CB GLU A 12 8.666 0.194 4.198 1.00 0.00 C +ATOM 167 CG GLU A 12 9.880 -0.355 4.951 1.00 0.00 C +ATOM 168 CD GLU A 12 10.464 0.741 5.844 1.00 0.00 C +ATOM 169 OE1 GLU A 12 10.246 1.902 5.542 1.00 0.00 O +ATOM 170 OE2 GLU A 12 11.121 0.400 6.813 1.00 0.00 O +ATOM 171 H GLU A 12 8.789 1.454 2.086 1.00 0.00 H +ATOM 172 HA GLU A 12 9.322 -1.216 2.741 1.00 0.00 H +ATOM 173 HB2 GLU A 12 8.798 1.246 4.017 1.00 0.00 H +ATOM 174 HB3 GLU A 12 7.781 0.035 4.785 1.00 0.00 H +ATOM 175 HG2 GLU A 12 9.576 -1.193 5.561 1.00 0.00 H +ATOM 176 HG3 GLU A 12 10.628 -0.676 4.242 1.00 0.00 H +ATOM 177 N SER A 13 6.102 -0.527 2.977 1.00 0.00 N +ATOM 178 CA SER A 13 4.772 -1.161 2.880 1.00 0.00 C +ATOM 179 C SER A 13 4.622 -1.786 1.494 1.00 0.00 C +ATOM 180 O SER A 13 4.095 -2.871 1.346 1.00 0.00 O +ATOM 181 CB SER A 13 3.778 -0.020 3.093 1.00 0.00 C +ATOM 182 OG SER A 13 3.255 -0.092 4.413 1.00 0.00 O +ATOM 183 H SER A 13 6.171 0.427 3.174 1.00 0.00 H +ATOM 184 HA SER A 13 4.661 -1.909 3.645 1.00 0.00 H +ATOM 185 HB2 SER A 13 4.281 0.924 2.964 1.00 0.00 H +ATOM 186 HB3 SER A 13 2.978 -0.099 2.372 1.00 0.00 H +ATOM 187 HG SER A 13 3.471 0.727 4.864 1.00 0.00 H +ATOM 188 N LEU A 14 5.108 -1.124 0.475 1.00 0.00 N +ATOM 189 CA LEU A 14 5.015 -1.710 -0.890 1.00 0.00 C +ATOM 190 C LEU A 14 5.857 -2.981 -0.944 1.00 0.00 C +ATOM 191 O LEU A 14 5.551 -3.914 -1.658 1.00 0.00 O +ATOM 192 CB LEU A 14 5.573 -0.651 -1.833 1.00 0.00 C +ATOM 193 CG LEU A 14 4.632 -0.525 -3.028 1.00 0.00 C +ATOM 194 CD1 LEU A 14 4.618 0.919 -3.515 1.00 0.00 C +ATOM 195 CD2 LEU A 14 5.111 -1.448 -4.146 1.00 0.00 C +ATOM 196 H LEU A 14 5.551 -0.258 0.612 1.00 0.00 H +ATOM 197 HA LEU A 14 3.992 -1.924 -1.149 1.00 0.00 H +ATOM 198 HB2 LEU A 14 5.639 0.296 -1.320 1.00 0.00 H +ATOM 199 HB3 LEU A 14 6.551 -0.949 -2.177 1.00 0.00 H +ATOM 200 HG LEU A 14 3.634 -0.810 -2.727 1.00 0.00 H +ATOM 201 HD11 LEU A 14 4.509 0.936 -4.588 1.00 0.00 H +ATOM 202 HD12 LEU A 14 5.542 1.401 -3.237 1.00 0.00 H +ATOM 203 HD13 LEU A 14 3.789 1.439 -3.060 1.00 0.00 H +ATOM 204 HD21 LEU A 14 5.110 -2.468 -3.789 1.00 0.00 H +ATOM 205 HD22 LEU A 14 6.111 -1.169 -4.442 1.00 0.00 H +ATOM 206 HD23 LEU A 14 4.447 -1.364 -4.994 1.00 0.00 H +ATOM 207 N SER A 15 6.916 -3.026 -0.179 1.00 0.00 N +ATOM 208 CA SER A 15 7.771 -4.235 -0.173 1.00 0.00 C +ATOM 209 C SER A 15 6.985 -5.421 0.384 1.00 0.00 C +ATOM 210 O SER A 15 7.029 -6.511 -0.150 1.00 0.00 O +ATOM 211 CB SER A 15 8.947 -3.887 0.738 1.00 0.00 C +ATOM 212 OG SER A 15 10.127 -4.503 0.237 1.00 0.00 O +ATOM 213 H SER A 15 7.146 -2.269 0.392 1.00 0.00 H +ATOM 214 HA SER A 15 8.120 -4.445 -1.165 1.00 0.00 H +ATOM 215 HB2 SER A 15 9.086 -2.820 0.760 1.00 0.00 H +ATOM 216 HB3 SER A 15 8.741 -4.241 1.740 1.00 0.00 H +ATOM 217 HG SER A 15 10.816 -3.836 0.202 1.00 0.00 H +ATOM 218 N GLN A 16 6.265 -5.223 1.457 1.00 0.00 N +ATOM 219 CA GLN A 16 5.488 -6.338 2.034 1.00 0.00 C +ATOM 220 C GLN A 16 4.364 -6.743 1.080 1.00 0.00 C +ATOM 221 O GLN A 16 3.954 -7.885 1.042 1.00 0.00 O +ATOM 222 CB GLN A 16 4.958 -5.789 3.365 1.00 0.00 C +ATOM 223 CG GLN A 16 3.609 -5.090 3.166 1.00 0.00 C +ATOM 224 CD GLN A 16 2.476 -6.067 3.487 1.00 0.00 C +ATOM 225 OE1 GLN A 16 2.288 -6.445 4.626 1.00 0.00 O +ATOM 226 NE2 GLN A 16 1.706 -6.493 2.524 1.00 0.00 N +ATOM 227 H GLN A 16 6.235 -4.346 1.885 1.00 0.00 H +ATOM 228 HA GLN A 16 6.135 -7.176 2.210 1.00 0.00 H +ATOM 229 HB2 GLN A 16 4.842 -6.600 4.059 1.00 0.00 H +ATOM 230 HB3 GLN A 16 5.668 -5.079 3.763 1.00 0.00 H +ATOM 231 HG2 GLN A 16 3.548 -4.238 3.827 1.00 0.00 H +ATOM 232 HG3 GLN A 16 3.519 -4.759 2.144 1.00 0.00 H +ATOM 233 HE21 GLN A 16 1.857 -6.187 1.605 1.00 0.00 H +ATOM 234 HE22 GLN A 16 0.977 -7.117 2.720 1.00 0.00 H +ATOM 235 N MET A 17 3.879 -5.827 0.290 1.00 0.00 N +ATOM 236 CA MET A 17 2.811 -6.185 -0.668 1.00 0.00 C +ATOM 237 C MET A 17 3.445 -6.902 -1.854 1.00 0.00 C +ATOM 238 O MET A 17 2.807 -7.667 -2.549 1.00 0.00 O +ATOM 239 CB MET A 17 2.200 -4.856 -1.087 1.00 0.00 C +ATOM 240 CG MET A 17 1.083 -4.485 -0.118 1.00 0.00 C +ATOM 241 SD MET A 17 0.283 -2.972 -0.690 1.00 0.00 S +ATOM 242 CE MET A 17 1.734 -1.895 -0.609 1.00 0.00 C +ATOM 243 H MET A 17 4.229 -4.912 0.313 1.00 0.00 H +ATOM 244 HA MET A 17 2.068 -6.808 -0.196 1.00 0.00 H +ATOM 245 HB2 MET A 17 2.957 -4.091 -1.078 1.00 0.00 H +ATOM 246 HB3 MET A 17 1.798 -4.945 -2.077 1.00 0.00 H +ATOM 247 HG2 MET A 17 0.358 -5.285 -0.079 1.00 0.00 H +ATOM 248 HG3 MET A 17 1.497 -4.325 0.867 1.00 0.00 H +ATOM 249 HE1 MET A 17 1.450 -0.940 -0.188 1.00 0.00 H +ATOM 250 HE2 MET A 17 2.128 -1.746 -1.601 1.00 0.00 H +ATOM 251 HE3 MET A 17 2.491 -2.358 0.011 1.00 0.00 H +ATOM 252 N LEU A 18 4.713 -6.672 -2.075 1.00 0.00 N +ATOM 253 CA LEU A 18 5.401 -7.358 -3.197 1.00 0.00 C +ATOM 254 C LEU A 18 5.481 -8.846 -2.885 1.00 0.00 C +ATOM 255 O LEU A 18 5.490 -9.684 -3.765 1.00 0.00 O +ATOM 256 CB LEU A 18 6.796 -6.737 -3.262 1.00 0.00 C +ATOM 257 CG LEU A 18 7.685 -7.571 -4.185 1.00 0.00 C +ATOM 258 CD1 LEU A 18 8.283 -6.672 -5.269 1.00 0.00 C +ATOM 259 CD2 LEU A 18 8.813 -8.207 -3.370 1.00 0.00 C +ATOM 260 H LEU A 18 5.213 -6.063 -1.490 1.00 0.00 H +ATOM 261 HA LEU A 18 4.873 -7.196 -4.115 1.00 0.00 H +ATOM 262 HB2 LEU A 18 6.724 -5.729 -3.644 1.00 0.00 H +ATOM 263 HB3 LEU A 18 7.227 -6.717 -2.272 1.00 0.00 H +ATOM 264 HG LEU A 18 7.092 -8.346 -4.649 1.00 0.00 H +ATOM 265 HD11 LEU A 18 9.236 -7.072 -5.583 1.00 0.00 H +ATOM 266 HD12 LEU A 18 8.425 -5.678 -4.871 1.00 0.00 H +ATOM 267 HD13 LEU A 18 7.612 -6.630 -6.113 1.00 0.00 H +ATOM 268 HD21 LEU A 18 9.444 -8.789 -4.023 1.00 0.00 H +ATOM 269 HD22 LEU A 18 8.391 -8.848 -2.610 1.00 0.00 H +ATOM 270 HD23 LEU A 18 9.399 -7.429 -2.901 1.00 0.00 H +ATOM 271 N SER A 19 5.517 -9.174 -1.627 1.00 0.00 N +ATOM 272 CA SER A 19 5.570 -10.608 -1.233 1.00 0.00 C +ATOM 273 C SER A 19 4.179 -11.058 -0.793 1.00 0.00 C +ATOM 274 O SER A 19 4.020 -12.033 -0.084 1.00 0.00 O +ATOM 275 CB SER A 19 6.557 -10.671 -0.068 1.00 0.00 C +ATOM 276 OG SER A 19 7.855 -10.323 -0.534 1.00 0.00 O +ATOM 277 H SER A 19 5.492 -8.471 -0.939 1.00 0.00 H +ATOM 278 HA SER A 19 5.919 -11.213 -2.054 1.00 0.00 H +ATOM 279 HB2 SER A 19 6.258 -9.976 0.698 1.00 0.00 H +ATOM 280 HB3 SER A 19 6.566 -11.673 0.341 1.00 0.00 H +ATOM 281 HG SER A 19 8.439 -10.275 0.226 1.00 0.00 H +ATOM 282 N MET A 20 3.170 -10.345 -1.209 1.00 0.00 N +ATOM 283 CA MET A 20 1.782 -10.711 -0.823 1.00 0.00 C +ATOM 284 C MET A 20 1.060 -11.382 -1.985 1.00 0.00 C +ATOM 285 O MET A 20 0.661 -12.528 -1.914 1.00 0.00 O +ATOM 286 CB MET A 20 1.115 -9.391 -0.472 1.00 0.00 C +ATOM 287 CG MET A 20 0.810 -9.355 1.025 1.00 0.00 C +ATOM 288 SD MET A 20 -0.705 -10.288 1.356 1.00 0.00 S +ATOM 289 CE MET A 20 0.085 -11.783 1.997 1.00 0.00 C +ATOM 290 H MET A 20 3.328 -9.562 -1.777 1.00 0.00 H +ATOM 291 HA MET A 20 1.782 -11.338 0.026 1.00 0.00 H +ATOM 292 HB2 MET A 20 1.778 -8.584 -0.724 1.00 0.00 H +ATOM 293 HB3 MET A 20 0.197 -9.296 -1.027 1.00 0.00 H +ATOM 294 HG2 MET A 20 1.631 -9.797 1.572 1.00 0.00 H +ATOM 295 HG3 MET A 20 0.679 -8.332 1.341 1.00 0.00 H +ATOM 296 HE1 MET A 20 1.158 -11.700 1.884 1.00 0.00 H +ATOM 297 HE2 MET A 20 -0.265 -12.641 1.446 1.00 0.00 H +ATOM 298 HE3 MET A 20 -0.164 -11.902 3.042 1.00 0.00 H +ATOM 299 N GLY A 21 0.870 -10.659 -3.041 1.00 0.00 N +ATOM 300 CA GLY A 21 0.156 -11.206 -4.213 1.00 0.00 C +ATOM 301 C GLY A 21 -1.039 -10.312 -4.454 1.00 0.00 C +ATOM 302 O GLY A 21 -2.152 -10.756 -4.653 1.00 0.00 O +ATOM 303 H GLY A 21 1.178 -9.743 -3.053 1.00 0.00 H +ATOM 304 HA2 GLY A 21 0.802 -11.206 -5.075 1.00 0.00 H +ATOM 305 HA3 GLY A 21 -0.173 -12.189 -3.997 1.00 0.00 H +ATOM 306 N PHE A 22 -0.807 -9.043 -4.380 1.00 0.00 N +ATOM 307 CA PHE A 22 -1.901 -8.070 -4.536 1.00 0.00 C +ATOM 308 C PHE A 22 -2.093 -7.619 -5.975 1.00 0.00 C +ATOM 309 O PHE A 22 -1.429 -8.060 -6.892 1.00 0.00 O +ATOM 310 CB PHE A 22 -1.486 -6.903 -3.658 1.00 0.00 C +ATOM 311 CG PHE A 22 -1.905 -7.202 -2.251 1.00 0.00 C +ATOM 312 CD1 PHE A 22 -3.193 -7.674 -2.005 1.00 0.00 C +ATOM 313 CD2 PHE A 22 -1.005 -7.021 -1.197 1.00 0.00 C +ATOM 314 CE1 PHE A 22 -3.590 -7.958 -0.699 1.00 0.00 C +ATOM 315 CE2 PHE A 22 -1.404 -7.307 0.111 1.00 0.00 C +ATOM 316 CZ PHE A 22 -2.701 -7.774 0.357 1.00 0.00 C +ATOM 317 H PHE A 22 0.095 -8.731 -4.178 1.00 0.00 H +ATOM 318 HA PHE A 22 -2.817 -8.489 -4.159 1.00 0.00 H +ATOM 319 HB2 PHE A 22 -0.418 -6.768 -3.697 1.00 0.00 H +ATOM 320 HB3 PHE A 22 -1.973 -6.012 -3.999 1.00 0.00 H +ATOM 321 HD1 PHE A 22 -3.888 -7.804 -2.824 1.00 0.00 H +ATOM 322 HD2 PHE A 22 -0.005 -6.665 -1.392 1.00 0.00 H +ATOM 323 HE1 PHE A 22 -4.578 -8.326 -0.506 1.00 0.00 H +ATOM 324 HE2 PHE A 22 -0.714 -7.163 0.926 1.00 0.00 H +ATOM 325 HZ PHE A 22 -3.020 -7.988 1.361 1.00 0.00 H +ATOM 326 N SER A 23 -3.034 -6.744 -6.154 1.00 0.00 N +ATOM 327 CA SER A 23 -3.359 -6.225 -7.498 1.00 0.00 C +ATOM 328 C SER A 23 -2.851 -4.796 -7.678 1.00 0.00 C +ATOM 329 O SER A 23 -1.956 -4.345 -6.990 1.00 0.00 O +ATOM 330 CB SER A 23 -4.885 -6.236 -7.553 1.00 0.00 C +ATOM 331 OG SER A 23 -5.320 -7.236 -8.466 1.00 0.00 O +ATOM 332 H SER A 23 -3.540 -6.441 -5.389 1.00 0.00 H +ATOM 333 HA SER A 23 -2.960 -6.870 -8.246 1.00 0.00 H +ATOM 334 HB2 SER A 23 -5.281 -6.449 -6.575 1.00 0.00 H +ATOM 335 HB3 SER A 23 -5.237 -5.264 -7.869 1.00 0.00 H +ATOM 336 HG SER A 23 -5.859 -7.865 -7.982 1.00 0.00 H +ATOM 337 N ASP A 24 -3.430 -4.084 -8.606 1.00 0.00 N +ATOM 338 CA ASP A 24 -3.010 -2.681 -8.854 1.00 0.00 C +ATOM 339 C ASP A 24 -3.918 -2.053 -9.916 1.00 0.00 C +ATOM 340 O ASP A 24 -3.470 -1.304 -10.761 1.00 0.00 O +ATOM 341 CB ASP A 24 -1.576 -2.787 -9.362 1.00 0.00 C +ATOM 342 CG ASP A 24 -0.765 -1.591 -8.861 1.00 0.00 C +ATOM 343 OD1 ASP A 24 -1.279 -0.856 -8.035 1.00 0.00 O +ATOM 344 OD2 ASP A 24 0.358 -1.431 -9.313 1.00 0.00 O +ATOM 345 H ASP A 24 -4.148 -4.476 -9.142 1.00 0.00 H +ATOM 346 HA ASP A 24 -3.041 -2.108 -7.941 1.00 0.00 H +ATOM 347 HB2 ASP A 24 -1.134 -3.701 -8.997 1.00 0.00 H +ATOM 348 HB3 ASP A 24 -1.577 -2.794 -10.442 1.00 0.00 H +ATOM 349 N GLU A 25 -5.193 -2.359 -9.877 1.00 0.00 N +ATOM 350 CA GLU A 25 -6.140 -1.785 -10.880 1.00 0.00 C +ATOM 351 C GLU A 25 -5.781 -0.332 -11.161 1.00 0.00 C +ATOM 352 O GLU A 25 -5.276 0.011 -12.212 1.00 0.00 O +ATOM 353 CB GLU A 25 -7.519 -1.880 -10.228 1.00 0.00 C +ATOM 354 CG GLU A 25 -7.964 -3.343 -10.183 1.00 0.00 C +ATOM 355 CD GLU A 25 -8.486 -3.760 -11.559 1.00 0.00 C +ATOM 356 OE1 GLU A 25 -9.351 -3.073 -12.077 1.00 0.00 O +ATOM 357 OE2 GLU A 25 -8.013 -4.761 -12.072 1.00 0.00 O +ATOM 358 H GLU A 25 -5.527 -2.968 -9.185 1.00 0.00 H +ATOM 359 HA GLU A 25 -6.122 -2.352 -11.785 1.00 0.00 H +ATOM 360 HB2 GLU A 25 -7.469 -1.487 -9.222 1.00 0.00 H +ATOM 361 HB3 GLU A 25 -8.230 -1.306 -10.803 1.00 0.00 H +ATOM 362 HG2 GLU A 25 -7.123 -3.966 -9.912 1.00 0.00 H +ATOM 363 HG3 GLU A 25 -8.750 -3.458 -9.452 1.00 0.00 H +ATOM 364 N GLY A 26 -6.019 0.513 -10.212 1.00 0.00 N +ATOM 365 CA GLY A 26 -5.678 1.951 -10.385 1.00 0.00 C +ATOM 366 C GLY A 26 -4.239 2.170 -9.914 1.00 0.00 C +ATOM 367 O GLY A 26 -3.918 3.172 -9.307 1.00 0.00 O +ATOM 368 H GLY A 26 -6.411 0.196 -9.377 1.00 0.00 H +ATOM 369 HA2 GLY A 26 -5.767 2.223 -11.428 1.00 0.00 H +ATOM 370 HA3 GLY A 26 -6.345 2.557 -9.792 1.00 0.00 H +ATOM 371 N GLY A 27 -3.373 1.230 -10.188 1.00 0.00 N +ATOM 372 CA GLY A 27 -1.957 1.368 -9.758 1.00 0.00 C +ATOM 373 C GLY A 27 -1.907 1.857 -8.311 1.00 0.00 C +ATOM 374 O GLY A 27 -1.179 2.773 -7.985 1.00 0.00 O +ATOM 375 H GLY A 27 -3.654 0.433 -10.675 1.00 0.00 H +ATOM 376 HA2 GLY A 27 -1.463 0.410 -9.835 1.00 0.00 H +ATOM 377 HA3 GLY A 27 -1.459 2.081 -10.393 1.00 0.00 H +ATOM 378 N TRP A 28 -2.682 1.267 -7.437 1.00 0.00 N +ATOM 379 CA TRP A 28 -2.670 1.721 -6.030 1.00 0.00 C +ATOM 380 C TRP A 28 -1.498 1.117 -5.261 1.00 0.00 C +ATOM 381 O TRP A 28 -1.085 1.647 -4.256 1.00 0.00 O +ATOM 382 CB TRP A 28 -4.008 1.269 -5.447 1.00 0.00 C +ATOM 383 CG TRP A 28 -4.159 -0.211 -5.503 1.00 0.00 C +ATOM 384 CD1 TRP A 28 -5.048 -0.859 -6.271 1.00 0.00 C +ATOM 385 CD2 TRP A 28 -3.455 -1.222 -4.756 1.00 0.00 C +ATOM 386 NE1 TRP A 28 -4.920 -2.222 -6.058 1.00 0.00 N +ATOM 387 CE2 TRP A 28 -3.947 -2.493 -5.127 1.00 0.00 C +ATOM 388 CE3 TRP A 28 -2.443 -1.160 -3.807 1.00 0.00 C +ATOM 389 CZ2 TRP A 28 -3.445 -3.662 -4.566 1.00 0.00 C +ATOM 390 CZ3 TRP A 28 -1.940 -2.313 -3.242 1.00 0.00 C +ATOM 391 CH2 TRP A 28 -2.431 -3.569 -3.612 1.00 0.00 C +ATOM 392 H TRP A 28 -3.275 0.538 -7.705 1.00 0.00 H +ATOM 393 HA TRP A 28 -2.613 2.797 -5.996 1.00 0.00 H +ATOM 394 HB2 TRP A 28 -4.076 1.589 -4.436 1.00 0.00 H +ATOM 395 HB3 TRP A 28 -4.798 1.714 -6.001 1.00 0.00 H +ATOM 396 HD1 TRP A 28 -5.737 -0.388 -6.938 1.00 0.00 H +ATOM 397 HE1 TRP A 28 -5.445 -2.924 -6.500 1.00 0.00 H +ATOM 398 HE3 TRP A 28 -2.045 -0.212 -3.507 1.00 0.00 H +ATOM 399 HZ2 TRP A 28 -3.835 -4.625 -4.866 1.00 0.00 H +ATOM 400 HZ3 TRP A 28 -1.173 -2.228 -2.516 1.00 0.00 H +ATOM 401 HH2 TRP A 28 -2.028 -4.459 -3.155 1.00 0.00 H +ATOM 402 N LEU A 29 -0.936 0.028 -5.703 1.00 0.00 N +ATOM 403 CA LEU A 29 0.211 -0.530 -4.939 1.00 0.00 C +ATOM 404 C LEU A 29 1.199 0.604 -4.640 1.00 0.00 C +ATOM 405 O LEU A 29 1.950 0.556 -3.687 1.00 0.00 O +ATOM 406 CB LEU A 29 0.822 -1.604 -5.841 1.00 0.00 C +ATOM 407 CG LEU A 29 0.489 -2.988 -5.264 1.00 0.00 C +ATOM 408 CD1 LEU A 29 1.207 -4.079 -6.058 1.00 0.00 C +ATOM 409 CD2 LEU A 29 0.943 -3.060 -3.804 1.00 0.00 C +ATOM 410 H LEU A 29 -1.252 -0.408 -6.520 1.00 0.00 H +ATOM 411 HA LEU A 29 -0.135 -0.974 -4.018 1.00 0.00 H +ATOM 412 HB2 LEU A 29 0.408 -1.518 -6.835 1.00 0.00 H +ATOM 413 HB3 LEU A 29 1.889 -1.477 -5.881 1.00 0.00 H +ATOM 414 HG LEU A 29 -0.577 -3.151 -5.317 1.00 0.00 H +ATOM 415 HD11 LEU A 29 2.231 -3.789 -6.228 1.00 0.00 H +ATOM 416 HD12 LEU A 29 0.709 -4.222 -7.006 1.00 0.00 H +ATOM 417 HD13 LEU A 29 1.183 -5.005 -5.496 1.00 0.00 H +ATOM 418 HD21 LEU A 29 1.260 -2.082 -3.475 1.00 0.00 H +ATOM 419 HD22 LEU A 29 1.766 -3.755 -3.718 1.00 0.00 H +ATOM 420 HD23 LEU A 29 0.122 -3.399 -3.190 1.00 0.00 H +ATOM 421 N THR A 30 1.173 1.643 -5.440 1.00 0.00 N +ATOM 422 CA THR A 30 2.076 2.807 -5.201 1.00 0.00 C +ATOM 423 C THR A 30 1.296 3.953 -4.533 1.00 0.00 C +ATOM 424 O THR A 30 1.758 4.566 -3.591 1.00 0.00 O +ATOM 425 CB THR A 30 2.561 3.225 -6.590 1.00 0.00 C +ATOM 426 OG1 THR A 30 3.536 2.299 -7.046 1.00 0.00 O +ATOM 427 CG2 THR A 30 3.174 4.625 -6.523 1.00 0.00 C +ATOM 428 H THR A 30 0.543 1.665 -6.189 1.00 0.00 H +ATOM 429 HA THR A 30 2.915 2.515 -4.589 1.00 0.00 H +ATOM 430 HB THR A 30 1.727 3.235 -7.275 1.00 0.00 H +ATOM 431 HG1 THR A 30 3.243 1.417 -6.806 1.00 0.00 H +ATOM 432 HG21 THR A 30 4.146 4.615 -6.996 1.00 0.00 H +ATOM 433 HG22 THR A 30 3.281 4.922 -5.490 1.00 0.00 H +ATOM 434 HG23 THR A 30 2.531 5.325 -7.035 1.00 0.00 H +ATOM 435 N ARG A 31 0.117 4.248 -5.024 1.00 0.00 N +ATOM 436 CA ARG A 31 -0.700 5.356 -4.432 1.00 0.00 C +ATOM 437 C ARG A 31 -1.509 4.851 -3.236 1.00 0.00 C +ATOM 438 O ARG A 31 -1.744 5.581 -2.294 1.00 0.00 O +ATOM 439 CB ARG A 31 -1.632 5.802 -5.562 1.00 0.00 C +ATOM 440 CG ARG A 31 -2.742 6.689 -4.994 1.00 0.00 C +ATOM 441 CD ARG A 31 -4.103 6.045 -5.276 1.00 0.00 C +ATOM 442 NE ARG A 31 -5.064 7.182 -5.323 1.00 0.00 N +ATOM 443 CZ ARG A 31 -5.353 7.746 -6.464 1.00 0.00 C +ATOM 444 NH1 ARG A 31 -6.098 7.118 -7.332 1.00 0.00 N +ATOM 445 NH2 ARG A 31 -4.897 8.938 -6.736 1.00 0.00 N +ATOM 446 H ARG A 31 -0.231 3.741 -5.787 1.00 0.00 H +ATOM 447 HA ARG A 31 -0.068 6.182 -4.130 1.00 0.00 H +ATOM 448 HB2 ARG A 31 -1.066 6.358 -6.295 1.00 0.00 H +ATOM 449 HB3 ARG A 31 -2.071 4.933 -6.029 1.00 0.00 H +ATOM 450 HG2 ARG A 31 -2.608 6.797 -3.928 1.00 0.00 H +ATOM 451 HG3 ARG A 31 -2.702 7.660 -5.463 1.00 0.00 H +ATOM 452 HD2 ARG A 31 -4.082 5.527 -6.226 1.00 0.00 H +ATOM 453 HD3 ARG A 31 -4.370 5.366 -4.482 1.00 0.00 H +ATOM 454 HE ARG A 31 -5.480 7.506 -4.497 1.00 0.00 H +ATOM 455 HH11 ARG A 31 -6.448 6.205 -7.124 1.00 0.00 H +ATOM 456 HH12 ARG A 31 -6.318 7.550 -8.208 1.00 0.00 H +ATOM 457 HH21 ARG A 31 -4.326 9.419 -6.070 1.00 0.00 H +ATOM 458 HH22 ARG A 31 -5.119 9.371 -7.610 1.00 0.00 H +ATOM 459 N LEU A 32 -1.935 3.611 -3.260 1.00 0.00 N +ATOM 460 CA LEU A 32 -2.718 3.067 -2.110 1.00 0.00 C +ATOM 461 C LEU A 32 -2.101 3.580 -0.811 1.00 0.00 C +ATOM 462 O LEU A 32 -2.703 4.330 -0.078 1.00 0.00 O +ATOM 463 CB LEU A 32 -2.568 1.554 -2.176 1.00 0.00 C +ATOM 464 CG LEU A 32 -3.183 0.923 -0.925 1.00 0.00 C +ATOM 465 CD1 LEU A 32 -4.648 0.579 -1.194 1.00 0.00 C +ATOM 466 CD2 LEU A 32 -2.417 -0.353 -0.572 1.00 0.00 C +ATOM 467 H LEU A 32 -1.732 3.041 -4.027 1.00 0.00 H +ATOM 468 HA LEU A 32 -3.761 3.338 -2.201 1.00 0.00 H +ATOM 469 HB2 LEU A 32 -3.077 1.184 -3.049 1.00 0.00 H +ATOM 470 HB3 LEU A 32 -1.522 1.296 -2.230 1.00 0.00 H +ATOM 471 HG LEU A 32 -3.123 1.620 -0.102 1.00 0.00 H +ATOM 472 HD11 LEU A 32 -4.957 -0.219 -0.536 1.00 0.00 H +ATOM 473 HD12 LEU A 32 -4.761 0.265 -2.221 1.00 0.00 H +ATOM 474 HD13 LEU A 32 -5.259 1.451 -1.015 1.00 0.00 H +ATOM 475 HD21 LEU A 32 -3.092 -1.063 -0.117 1.00 0.00 H +ATOM 476 HD22 LEU A 32 -1.624 -0.117 0.122 1.00 0.00 H +ATOM 477 HD23 LEU A 32 -1.996 -0.781 -1.469 1.00 0.00 H +ATOM 478 N LEU A 33 -0.876 3.195 -0.550 1.00 0.00 N +ATOM 479 CA LEU A 33 -0.178 3.674 0.674 1.00 0.00 C +ATOM 480 C LEU A 33 -0.475 5.159 0.852 1.00 0.00 C +ATOM 481 O LEU A 33 -0.966 5.599 1.873 1.00 0.00 O +ATOM 482 CB LEU A 33 1.309 3.467 0.364 1.00 0.00 C +ATOM 483 CG LEU A 33 1.916 2.400 1.280 1.00 0.00 C +ATOM 484 CD1 LEU A 33 0.925 1.252 1.486 1.00 0.00 C +ATOM 485 CD2 LEU A 33 3.187 1.851 0.631 1.00 0.00 C +ATOM 486 H LEU A 33 -0.405 2.609 -1.177 1.00 0.00 H +ATOM 487 HA LEU A 33 -0.472 3.108 1.542 1.00 0.00 H +ATOM 488 HB2 LEU A 33 1.415 3.154 -0.664 1.00 0.00 H +ATOM 489 HB3 LEU A 33 1.833 4.399 0.507 1.00 0.00 H +ATOM 490 HG LEU A 33 2.162 2.840 2.234 1.00 0.00 H +ATOM 491 HD11 LEU A 33 1.432 0.311 1.336 1.00 0.00 H +ATOM 492 HD12 LEU A 33 0.116 1.344 0.775 1.00 0.00 H +ATOM 493 HD13 LEU A 33 0.531 1.294 2.490 1.00 0.00 H +ATOM 494 HD21 LEU A 33 3.471 2.485 -0.196 1.00 0.00 H +ATOM 495 HD22 LEU A 33 3.004 0.850 0.269 1.00 0.00 H +ATOM 496 HD23 LEU A 33 3.984 1.831 1.358 1.00 0.00 H +ATOM 497 N GLN A 34 -0.184 5.924 -0.157 1.00 0.00 N +ATOM 498 CA GLN A 34 -0.441 7.377 -0.109 1.00 0.00 C +ATOM 499 C GLN A 34 -1.914 7.647 0.225 1.00 0.00 C +ATOM 500 O GLN A 34 -2.233 8.525 1.002 1.00 0.00 O +ATOM 501 CB GLN A 34 -0.099 7.838 -1.522 1.00 0.00 C +ATOM 502 CG GLN A 34 1.347 8.328 -1.562 1.00 0.00 C +ATOM 503 CD GLN A 34 1.434 9.612 -2.390 1.00 0.00 C +ATOM 504 OE1 GLN A 34 1.078 10.676 -1.924 1.00 0.00 O +ATOM 505 NE2 GLN A 34 1.897 9.556 -3.610 1.00 0.00 N +ATOM 506 H GLN A 34 0.204 5.538 -0.964 1.00 0.00 H +ATOM 507 HA GLN A 34 0.210 7.851 0.602 1.00 0.00 H +ATOM 508 HB2 GLN A 34 -0.214 7.009 -2.206 1.00 0.00 H +ATOM 509 HB3 GLN A 34 -0.758 8.630 -1.812 1.00 0.00 H +ATOM 510 HG2 GLN A 34 1.686 8.521 -0.556 1.00 0.00 H +ATOM 511 HG3 GLN A 34 1.972 7.570 -2.012 1.00 0.00 H +ATOM 512 HE21 GLN A 34 2.184 8.697 -3.985 1.00 0.00 H +ATOM 513 HE22 GLN A 34 1.958 10.370 -4.150 1.00 0.00 H +ATOM 514 N THR A 35 -2.813 6.898 -0.359 1.00 0.00 N +ATOM 515 CA THR A 35 -4.259 7.107 -0.084 1.00 0.00 C +ATOM 516 C THR A 35 -4.657 6.457 1.245 1.00 0.00 C +ATOM 517 O THR A 35 -5.284 7.068 2.086 1.00 0.00 O +ATOM 518 CB THR A 35 -4.992 6.435 -1.243 1.00 0.00 C +ATOM 519 OG1 THR A 35 -4.051 5.876 -2.149 1.00 0.00 O +ATOM 520 CG2 THR A 35 -5.855 7.466 -1.972 1.00 0.00 C +ATOM 521 H THR A 35 -2.539 6.202 -0.982 1.00 0.00 H +ATOM 522 HA THR A 35 -4.484 8.148 -0.074 1.00 0.00 H +ATOM 523 HB THR A 35 -5.623 5.659 -0.854 1.00 0.00 H +ATOM 524 HG1 THR A 35 -4.449 5.097 -2.546 1.00 0.00 H +ATOM 525 HG21 THR A 35 -6.648 7.797 -1.318 1.00 0.00 H +ATOM 526 HG22 THR A 35 -6.281 7.016 -2.856 1.00 0.00 H +ATOM 527 HG23 THR A 35 -5.244 8.310 -2.255 1.00 0.00 H +ATOM 528 N LYS A 36 -4.297 5.217 1.434 1.00 0.00 N +ATOM 529 CA LYS A 36 -4.647 4.514 2.698 1.00 0.00 C +ATOM 530 C LYS A 36 -3.567 4.763 3.751 1.00 0.00 C +ATOM 531 O LYS A 36 -3.192 3.876 4.486 1.00 0.00 O +ATOM 532 CB LYS A 36 -4.699 3.031 2.325 1.00 0.00 C +ATOM 533 CG LYS A 36 -5.837 2.352 3.088 1.00 0.00 C +ATOM 534 CD LYS A 36 -7.032 2.156 2.155 1.00 0.00 C +ATOM 535 CE LYS A 36 -8.313 2.037 2.983 1.00 0.00 C +ATOM 536 NZ LYS A 36 -9.095 0.954 2.326 1.00 0.00 N +ATOM 537 H LYS A 36 -3.791 4.748 0.740 1.00 0.00 H +ATOM 538 HA LYS A 36 -5.610 4.838 3.058 1.00 0.00 H +ATOM 539 HB2 LYS A 36 -4.869 2.935 1.262 1.00 0.00 H +ATOM 540 HB3 LYS A 36 -3.762 2.561 2.584 1.00 0.00 H +ATOM 541 HG2 LYS A 36 -5.501 1.392 3.452 1.00 0.00 H +ATOM 542 HG3 LYS A 36 -6.131 2.971 3.923 1.00 0.00 H +ATOM 543 HD2 LYS A 36 -7.110 3.003 1.489 1.00 0.00 H +ATOM 544 HD3 LYS A 36 -6.895 1.255 1.577 1.00 0.00 H +ATOM 545 HE2 LYS A 36 -8.077 1.769 4.004 1.00 0.00 H +ATOM 546 HE3 LYS A 36 -8.868 2.962 2.954 1.00 0.00 H +ATOM 547 HZ1 LYS A 36 -8.506 0.102 2.242 1.00 0.00 H +ATOM 548 HZ2 LYS A 36 -9.393 1.266 1.379 1.00 0.00 H +ATOM 549 HZ3 LYS A 36 -9.934 0.735 2.899 1.00 0.00 H +ATOM 550 N ASN A 37 -3.077 5.967 3.823 1.00 0.00 N +ATOM 551 CA ASN A 37 -2.025 6.312 4.825 1.00 0.00 C +ATOM 552 C ASN A 37 -1.072 5.136 5.086 1.00 0.00 C +ATOM 553 O ASN A 37 -0.802 4.791 6.219 1.00 0.00 O +ATOM 554 CB ASN A 37 -2.798 6.660 6.096 1.00 0.00 C +ATOM 555 CG ASN A 37 -1.814 7.074 7.191 1.00 0.00 C +ATOM 556 OD1 ASN A 37 -1.695 6.409 8.201 1.00 0.00 O +ATOM 557 ND2 ASN A 37 -1.098 8.153 7.032 1.00 0.00 N +ATOM 558 H ASN A 37 -3.408 6.660 3.215 1.00 0.00 H +ATOM 559 HA ASN A 37 -1.469 7.172 4.495 1.00 0.00 H +ATOM 560 HB2 ASN A 37 -3.477 7.475 5.892 1.00 0.00 H +ATOM 561 HB3 ASN A 37 -3.357 5.798 6.424 1.00 0.00 H +ATOM 562 HD21 ASN A 37 -1.193 8.689 6.217 1.00 0.00 H +ATOM 563 HD22 ASN A 37 -0.464 8.427 7.727 1.00 0.00 H +ATOM 564 N TYR A 38 -0.536 4.538 4.054 1.00 0.00 N +ATOM 565 CA TYR A 38 0.422 3.415 4.266 1.00 0.00 C +ATOM 566 C TYR A 38 -0.183 2.377 5.213 1.00 0.00 C +ATOM 567 O TYR A 38 0.512 1.581 5.814 1.00 0.00 O +ATOM 568 CB TYR A 38 1.653 4.083 4.882 1.00 0.00 C +ATOM 569 CG TYR A 38 2.224 5.079 3.894 1.00 0.00 C +ATOM 570 CD1 TYR A 38 1.462 6.182 3.473 1.00 0.00 C +ATOM 571 CD2 TYR A 38 3.513 4.894 3.386 1.00 0.00 C +ATOM 572 CE1 TYR A 38 1.986 7.085 2.556 1.00 0.00 C +ATOM 573 CE2 TYR A 38 4.037 5.805 2.464 1.00 0.00 C +ATOM 574 CZ TYR A 38 3.274 6.900 2.047 1.00 0.00 C +ATOM 575 OH TYR A 38 3.793 7.798 1.137 1.00 0.00 O +ATOM 576 H TYR A 38 -0.740 4.842 3.145 1.00 0.00 H +ATOM 577 HA TYR A 38 0.684 2.959 3.325 1.00 0.00 H +ATOM 578 HB2 TYR A 38 1.370 4.594 5.789 1.00 0.00 H +ATOM 579 HB3 TYR A 38 2.396 3.333 5.106 1.00 0.00 H +ATOM 580 HD1 TYR A 38 0.472 6.343 3.859 1.00 0.00 H +ATOM 581 HD2 TYR A 38 4.105 4.049 3.704 1.00 0.00 H +ATOM 582 HE1 TYR A 38 1.390 7.921 2.237 1.00 0.00 H +ATOM 583 HE2 TYR A 38 5.029 5.662 2.072 1.00 0.00 H +ATOM 584 HH TYR A 38 3.789 8.668 1.544 1.00 0.00 H +ATOM 585 N ASP A 39 -1.479 2.379 5.334 1.00 0.00 N +ATOM 586 CA ASP A 39 -2.162 1.390 6.229 1.00 0.00 C +ATOM 587 C ASP A 39 -2.376 0.067 5.489 1.00 0.00 C +ATOM 588 O ASP A 39 -3.402 -0.565 5.631 1.00 0.00 O +ATOM 589 CB ASP A 39 -3.506 2.033 6.579 1.00 0.00 C +ATOM 590 CG ASP A 39 -3.783 1.863 8.073 1.00 0.00 C +ATOM 591 OD1 ASP A 39 -2.900 1.391 8.770 1.00 0.00 O +ATOM 592 OD2 ASP A 39 -4.874 2.208 8.497 1.00 0.00 O +ATOM 593 H ASP A 39 -2.008 3.033 4.827 1.00 0.00 H +ATOM 594 HA ASP A 39 -1.599 1.224 7.130 1.00 0.00 H +ATOM 595 HB2 ASP A 39 -3.475 3.085 6.342 1.00 0.00 H +ATOM 596 HB3 ASP A 39 -4.293 1.559 6.011 1.00 0.00 H +ATOM 597 N ILE A 40 -1.426 -0.365 4.693 1.00 0.00 N +ATOM 598 CA ILE A 40 -1.633 -1.653 3.960 1.00 0.00 C +ATOM 599 C ILE A 40 -2.131 -2.726 4.917 1.00 0.00 C +ATOM 600 O ILE A 40 -2.739 -3.679 4.504 1.00 0.00 O +ATOM 601 CB ILE A 40 -0.301 -2.086 3.339 1.00 0.00 C +ATOM 602 CG1 ILE A 40 0.891 -1.517 4.108 1.00 0.00 C +ATOM 603 CG2 ILE A 40 -0.250 -1.611 1.891 1.00 0.00 C +ATOM 604 CD1 ILE A 40 2.146 -2.304 3.720 1.00 0.00 C +ATOM 605 H ILE A 40 -0.603 0.153 4.575 1.00 0.00 H +ATOM 606 HA ILE A 40 -2.360 -1.506 3.176 1.00 0.00 H +ATOM 607 HB ILE A 40 -0.248 -3.166 3.351 1.00 0.00 H +ATOM 608 HG12 ILE A 40 1.021 -0.474 3.855 1.00 0.00 H +ATOM 609 HG13 ILE A 40 0.720 -1.615 5.170 1.00 0.00 H +ATOM 610 HG21 ILE A 40 0.743 -1.764 1.496 1.00 0.00 H +ATOM 611 HG22 ILE A 40 -0.501 -0.562 1.847 1.00 0.00 H +ATOM 612 HG23 ILE A 40 -0.962 -2.175 1.306 1.00 0.00 H +ATOM 613 HD11 ILE A 40 1.902 -3.354 3.648 1.00 0.00 H +ATOM 614 HD12 ILE A 40 2.909 -2.161 4.468 1.00 0.00 H +ATOM 615 HD13 ILE A 40 2.507 -1.954 2.763 1.00 0.00 H +ATOM 616 N GLY A 41 -1.905 -2.580 6.191 1.00 0.00 N +ATOM 617 CA GLY A 41 -2.425 -3.610 7.132 1.00 0.00 C +ATOM 618 C GLY A 41 -3.939 -3.467 7.133 1.00 0.00 C +ATOM 619 O GLY A 41 -4.676 -4.415 6.945 1.00 0.00 O +ATOM 620 H GLY A 41 -1.423 -1.796 6.527 1.00 0.00 H +ATOM 621 HA2 GLY A 41 -2.149 -4.594 6.781 1.00 0.00 H +ATOM 622 HA3 GLY A 41 -2.040 -3.442 8.124 1.00 0.00 H +ATOM 623 N ALA A 42 -4.399 -2.261 7.294 1.00 0.00 N +ATOM 624 CA ALA A 42 -5.850 -1.992 7.253 1.00 0.00 C +ATOM 625 C ALA A 42 -6.288 -2.077 5.801 1.00 0.00 C +ATOM 626 O ALA A 42 -7.320 -2.628 5.476 1.00 0.00 O +ATOM 627 CB ALA A 42 -5.980 -0.566 7.789 1.00 0.00 C +ATOM 628 H ALA A 42 -3.781 -1.520 7.408 1.00 0.00 H +ATOM 629 HA ALA A 42 -6.395 -2.692 7.859 1.00 0.00 H +ATOM 630 HB1 ALA A 42 -6.737 -0.038 7.229 1.00 0.00 H +ATOM 631 HB2 ALA A 42 -5.025 -0.054 7.682 1.00 0.00 H +ATOM 632 HB3 ALA A 42 -6.256 -0.597 8.833 1.00 0.00 H +ATOM 633 N ALA A 43 -5.475 -1.569 4.920 1.00 0.00 N +ATOM 634 CA ALA A 43 -5.804 -1.655 3.482 1.00 0.00 C +ATOM 635 C ALA A 43 -5.770 -3.126 3.083 1.00 0.00 C +ATOM 636 O ALA A 43 -6.497 -3.559 2.221 1.00 0.00 O +ATOM 637 CB ALA A 43 -4.704 -0.869 2.766 1.00 0.00 C +ATOM 638 H ALA A 43 -4.633 -1.158 5.208 1.00 0.00 H +ATOM 639 HA ALA A 43 -6.771 -1.222 3.281 1.00 0.00 H +ATOM 640 HB1 ALA A 43 -4.033 -1.557 2.272 1.00 0.00 H +ATOM 641 HB2 ALA A 43 -4.152 -0.284 3.487 1.00 0.00 H +ATOM 642 HB3 ALA A 43 -5.149 -0.212 2.034 1.00 0.00 H +ATOM 643 N LEU A 44 -4.938 -3.903 3.732 1.00 0.00 N +ATOM 644 CA LEU A 44 -4.871 -5.354 3.411 1.00 0.00 C +ATOM 645 C LEU A 44 -6.283 -5.884 3.253 1.00 0.00 C +ATOM 646 O LEU A 44 -6.589 -6.623 2.343 1.00 0.00 O +ATOM 647 CB LEU A 44 -4.201 -6.010 4.617 1.00 0.00 C +ATOM 648 CG LEU A 44 -3.109 -6.983 4.162 1.00 0.00 C +ATOM 649 CD1 LEU A 44 -3.760 -8.222 3.547 1.00 0.00 C +ATOM 650 CD2 LEU A 44 -2.201 -6.313 3.124 1.00 0.00 C +ATOM 651 H LEU A 44 -4.368 -3.533 4.444 1.00 0.00 H +ATOM 652 HA LEU A 44 -4.298 -5.528 2.528 1.00 0.00 H +ATOM 653 HB2 LEU A 44 -3.772 -5.254 5.253 1.00 0.00 H +ATOM 654 HB3 LEU A 44 -4.945 -6.552 5.165 1.00 0.00 H +ATOM 655 HG LEU A 44 -2.518 -7.280 5.018 1.00 0.00 H +ATOM 656 HD11 LEU A 44 -4.320 -8.748 4.306 1.00 0.00 H +ATOM 657 HD12 LEU A 44 -2.994 -8.871 3.150 1.00 0.00 H +ATOM 658 HD13 LEU A 44 -4.426 -7.921 2.752 1.00 0.00 H +ATOM 659 HD21 LEU A 44 -1.268 -6.852 3.063 1.00 0.00 H +ATOM 660 HD22 LEU A 44 -2.007 -5.293 3.418 1.00 0.00 H +ATOM 661 HD23 LEU A 44 -2.685 -6.322 2.160 1.00 0.00 H +ATOM 662 N ASP A 45 -7.149 -5.498 4.137 1.00 0.00 N +ATOM 663 CA ASP A 45 -8.549 -5.967 4.054 1.00 0.00 C +ATOM 664 C ASP A 45 -9.159 -5.537 2.721 1.00 0.00 C +ATOM 665 O ASP A 45 -9.990 -6.217 2.153 1.00 0.00 O +ATOM 666 CB ASP A 45 -9.233 -5.326 5.284 1.00 0.00 C +ATOM 667 CG ASP A 45 -10.473 -4.524 4.868 1.00 0.00 C +ATOM 668 OD1 ASP A 45 -10.304 -3.496 4.233 1.00 0.00 O +ATOM 669 OD2 ASP A 45 -11.568 -4.953 5.191 1.00 0.00 O +ATOM 670 H ASP A 45 -6.875 -4.895 4.859 1.00 0.00 H +ATOM 671 HA ASP A 45 -8.571 -7.033 4.120 1.00 0.00 H +ATOM 672 HB2 ASP A 45 -9.530 -6.106 5.969 1.00 0.00 H +ATOM 673 HB3 ASP A 45 -8.526 -4.660 5.785 1.00 0.00 H +ATOM 674 N THR A 46 -8.724 -4.435 2.208 1.00 0.00 N +ATOM 675 CA THR A 46 -9.232 -3.972 0.901 1.00 0.00 C +ATOM 676 C THR A 46 -8.268 -4.449 -0.185 1.00 0.00 C +ATOM 677 O THR A 46 -8.628 -4.599 -1.335 1.00 0.00 O +ATOM 678 CB THR A 46 -9.290 -2.433 1.008 1.00 0.00 C +ATOM 679 OG1 THR A 46 -10.614 -1.997 0.734 1.00 0.00 O +ATOM 680 CG2 THR A 46 -8.325 -1.766 0.013 1.00 0.00 C +ATOM 681 H THR A 46 -8.044 -3.928 2.669 1.00 0.00 H +ATOM 682 HA THR A 46 -10.208 -4.374 0.733 1.00 0.00 H +ATOM 683 HB THR A 46 -9.021 -2.137 2.011 1.00 0.00 H +ATOM 684 HG1 THR A 46 -11.049 -1.828 1.572 1.00 0.00 H +ATOM 685 HG21 THR A 46 -8.595 -2.046 -0.995 1.00 0.00 H +ATOM 686 HG22 THR A 46 -7.316 -2.091 0.217 1.00 0.00 H +ATOM 687 HG23 THR A 46 -8.384 -0.693 0.117 1.00 0.00 H +ATOM 688 N ILE A 47 -7.041 -4.696 0.187 1.00 0.00 N +ATOM 689 CA ILE A 47 -6.046 -5.167 -0.796 1.00 0.00 C +ATOM 690 C ILE A 47 -6.131 -6.693 -0.928 1.00 0.00 C +ATOM 691 O ILE A 47 -5.729 -7.259 -1.923 1.00 0.00 O +ATOM 692 CB ILE A 47 -4.720 -4.703 -0.234 1.00 0.00 C +ATOM 693 CG1 ILE A 47 -4.791 -3.193 -0.082 1.00 0.00 C +ATOM 694 CG2 ILE A 47 -3.588 -5.046 -1.199 1.00 0.00 C +ATOM 695 CD1 ILE A 47 -4.809 -2.540 -1.465 1.00 0.00 C +ATOM 696 H ILE A 47 -6.774 -4.571 1.122 1.00 0.00 H +ATOM 697 HA ILE A 47 -6.209 -4.689 -1.743 1.00 0.00 H +ATOM 698 HB ILE A 47 -4.541 -5.162 0.726 1.00 0.00 H +ATOM 699 HG12 ILE A 47 -5.685 -2.925 0.453 1.00 0.00 H +ATOM 700 HG13 ILE A 47 -3.940 -2.859 0.455 1.00 0.00 H +ATOM 701 HG21 ILE A 47 -3.058 -4.144 -1.459 1.00 0.00 H +ATOM 702 HG22 ILE A 47 -3.998 -5.492 -2.091 1.00 0.00 H +ATOM 703 HG23 ILE A 47 -2.908 -5.735 -0.727 1.00 0.00 H +ATOM 704 HD11 ILE A 47 -3.898 -1.980 -1.612 1.00 0.00 H +ATOM 705 HD12 ILE A 47 -5.657 -1.875 -1.538 1.00 0.00 H +ATOM 706 HD13 ILE A 47 -4.887 -3.305 -2.224 1.00 0.00 H +ATOM 707 N GLN A 48 -6.680 -7.375 0.053 1.00 0.00 N +ATOM 708 CA GLN A 48 -6.806 -8.845 -0.081 1.00 0.00 C +ATOM 709 C GLN A 48 -8.228 -9.189 -0.512 1.00 0.00 C +ATOM 710 O GLN A 48 -8.538 -10.322 -0.825 1.00 0.00 O +ATOM 711 CB GLN A 48 -6.473 -9.432 1.281 1.00 0.00 C +ATOM 712 CG GLN A 48 -5.117 -10.142 1.207 1.00 0.00 C +ATOM 713 CD GLN A 48 -5.144 -11.182 0.084 1.00 0.00 C +ATOM 714 OE1 GLN A 48 -6.048 -11.990 0.013 1.00 0.00 O +ATOM 715 NE2 GLN A 48 -4.184 -11.200 -0.808 1.00 0.00 N +ATOM 716 H GLN A 48 -7.027 -6.927 0.853 1.00 0.00 H +ATOM 717 HA GLN A 48 -6.113 -9.197 -0.798 1.00 0.00 H +ATOM 718 HB2 GLN A 48 -6.427 -8.643 2.004 1.00 0.00 H +ATOM 719 HB3 GLN A 48 -7.234 -10.141 1.562 1.00 0.00 H +ATOM 720 HG2 GLN A 48 -4.342 -9.416 1.010 1.00 0.00 H +ATOM 721 HG3 GLN A 48 -4.918 -10.636 2.147 1.00 0.00 H +ATOM 722 HE21 GLN A 48 -3.450 -10.551 -0.759 1.00 0.00 H +ATOM 723 HE22 GLN A 48 -4.200 -11.865 -1.527 1.00 0.00 H +ATOM 724 N TYR A 49 -9.086 -8.202 -0.559 1.00 0.00 N +ATOM 725 CA TYR A 49 -10.487 -8.437 -0.998 1.00 0.00 C +ATOM 726 C TYR A 49 -11.000 -9.788 -0.487 1.00 0.00 C +ATOM 727 O TYR A 49 -10.924 -10.791 -1.168 1.00 0.00 O +ATOM 728 CB TYR A 49 -10.396 -8.432 -2.522 1.00 0.00 C +ATOM 729 CG TYR A 49 -9.654 -7.196 -2.986 1.00 0.00 C +ATOM 730 CD1 TYR A 49 -8.256 -7.128 -2.874 1.00 0.00 C +ATOM 731 CD2 TYR A 49 -10.363 -6.120 -3.534 1.00 0.00 C +ATOM 732 CE1 TYR A 49 -7.570 -5.983 -3.311 1.00 0.00 C +ATOM 733 CE2 TYR A 49 -9.679 -4.978 -3.969 1.00 0.00 C +ATOM 734 CZ TYR A 49 -8.285 -4.909 -3.858 1.00 0.00 C +ATOM 735 OH TYR A 49 -7.613 -3.783 -4.288 1.00 0.00 O +ATOM 736 H TYR A 49 -8.800 -7.296 -0.322 1.00 0.00 H +ATOM 737 HA TYR A 49 -11.128 -7.636 -0.666 1.00 0.00 H +ATOM 738 HB2 TYR A 49 -9.860 -9.309 -2.845 1.00 0.00 H +ATOM 739 HB3 TYR A 49 -11.389 -8.436 -2.945 1.00 0.00 H +ATOM 740 HD1 TYR A 49 -7.708 -7.956 -2.451 1.00 0.00 H +ATOM 741 HD2 TYR A 49 -11.439 -6.170 -3.620 1.00 0.00 H +ATOM 742 HE1 TYR A 49 -6.490 -5.928 -3.226 1.00 0.00 H +ATOM 743 HE2 TYR A 49 -10.227 -4.149 -4.392 1.00 0.00 H +ATOM 744 HH TYR A 49 -6.990 -3.529 -3.605 1.00 0.00 H +ATOM 745 N SER A 50 -11.523 -9.822 0.709 1.00 0.00 N +ATOM 746 CA SER A 50 -12.042 -11.108 1.260 1.00 0.00 C +ATOM 747 C SER A 50 -13.558 -11.026 1.453 1.00 0.00 C +ATOM 748 O SER A 50 -14.142 -11.795 2.191 1.00 0.00 O +ATOM 749 CB SER A 50 -11.340 -11.273 2.607 1.00 0.00 C +ATOM 750 OG SER A 50 -11.339 -12.648 2.970 1.00 0.00 O +ATOM 751 H SER A 50 -11.577 -9.003 1.243 1.00 0.00 H +ATOM 752 HA SER A 50 -11.786 -11.927 0.608 1.00 0.00 H +ATOM 753 HB2 SER A 50 -10.323 -10.927 2.531 1.00 0.00 H +ATOM 754 HB3 SER A 50 -11.861 -10.693 3.357 1.00 0.00 H +ATOM 755 HG SER A 50 -11.205 -13.166 2.173 1.00 0.00 H +ATOM 756 N LYS A 51 -14.200 -10.099 0.796 1.00 0.00 N +ATOM 757 CA LYS A 51 -15.678 -9.968 0.941 1.00 0.00 C +ATOM 758 C LYS A 51 -16.388 -10.646 -0.234 1.00 0.00 C +ATOM 759 O LYS A 51 -15.804 -10.872 -1.276 1.00 0.00 O +ATOM 760 CB LYS A 51 -15.942 -8.462 0.933 1.00 0.00 C +ATOM 761 CG LYS A 51 -15.138 -7.796 2.051 1.00 0.00 C +ATOM 762 CD LYS A 51 -14.140 -6.808 1.443 1.00 0.00 C +ATOM 763 CE LYS A 51 -13.986 -5.599 2.369 1.00 0.00 C +ATOM 764 NZ LYS A 51 -13.008 -6.031 3.407 1.00 0.00 N +ATOM 765 H LYS A 51 -13.710 -9.488 0.207 1.00 0.00 H +ATOM 766 HA LYS A 51 -16.005 -10.395 1.877 1.00 0.00 H +ATOM 767 HB2 LYS A 51 -15.646 -8.050 -0.020 1.00 0.00 H +ATOM 768 HB3 LYS A 51 -16.996 -8.281 1.092 1.00 0.00 H +ATOM 769 HG2 LYS A 51 -15.811 -7.268 2.713 1.00 0.00 H +ATOM 770 HG3 LYS A 51 -14.602 -8.549 2.608 1.00 0.00 H +ATOM 771 HD2 LYS A 51 -13.183 -7.294 1.323 1.00 0.00 H +ATOM 772 HD3 LYS A 51 -14.500 -6.478 0.481 1.00 0.00 H +ATOM 773 HE2 LYS A 51 -13.604 -4.751 1.818 1.00 0.00 H +ATOM 774 HE3 LYS A 51 -14.931 -5.356 2.830 1.00 0.00 H +ATOM 775 HZ1 LYS A 51 -13.435 -6.771 4.000 1.00 0.00 H +ATOM 776 HZ2 LYS A 51 -12.751 -5.216 4.001 1.00 0.00 H +ATOM 777 HZ3 LYS A 51 -12.157 -6.408 2.945 1.00 0.00 H +ATOM 778 N HIS A 52 -17.641 -10.972 -0.076 1.00 0.00 N +ATOM 779 CA HIS A 52 -18.385 -11.635 -1.186 1.00 0.00 C +ATOM 780 C HIS A 52 -19.762 -10.988 -1.360 1.00 0.00 C +ATOM 781 O HIS A 52 -20.079 -10.609 -2.475 1.00 0.00 O +ATOM 782 CB HIS A 52 -18.528 -13.095 -0.753 1.00 0.00 C +ATOM 783 CG HIS A 52 -18.310 -13.994 -1.940 1.00 0.00 C +ATOM 784 ND1 HIS A 52 -18.002 -15.338 -1.802 1.00 0.00 N +ATOM 785 CD2 HIS A 52 -18.351 -13.755 -3.291 1.00 0.00 C +ATOM 786 CE1 HIS A 52 -17.869 -15.852 -3.039 1.00 0.00 C +ATOM 787 NE2 HIS A 52 -18.072 -14.930 -3.983 1.00 0.00 N +ATOM 788 OXT HIS A 52 -20.475 -10.885 -0.376 1.00 0.00 O +ATOM 789 H HIS A 52 -18.094 -10.781 0.772 1.00 0.00 H +ATOM 790 HA HIS A 52 -17.822 -11.577 -2.105 1.00 0.00 H +ATOM 791 HB2 HIS A 52 -17.796 -13.318 0.008 1.00 0.00 H +ATOM 792 HB3 HIS A 52 -19.520 -13.257 -0.357 1.00 0.00 H +ATOM 793 HD1 HIS A 52 -17.899 -15.826 -0.958 1.00 0.00 H +ATOM 794 HD2 HIS A 52 -18.566 -12.801 -3.747 1.00 0.00 H +ATOM 795 HE1 HIS A 52 -17.629 -16.885 -3.243 1.00 0.00 H Added: SwiftApps/modFTdock/input/1waq-1.pdb =================================================================== --- SwiftApps/modFTdock/input/1waq-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/1waq-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,830 @@ +ATOM 1 N ALA A 17 83.826 83.353 79.469 1.00 49.79 N +ATOM 2 CA ALA A 17 83.237 82.753 80.726 1.00 48.45 C +ATOM 3 C ALA A 17 84.339 82.212 81.648 1.00 34.17 C +ATOM 4 O ALA A 17 84.125 82.102 82.878 1.00 14.21 O +ATOM 5 CB ALA A 17 82.215 81.638 80.370 1.00 50.27 C +ATOM 6 N ARG A 18 85.510 81.885 81.048 1.00 27.51 N +ATOM 7 CA ARG A 18 86.577 81.250 81.816 1.00 72.93 C +ATOM 8 C ARG A 18 87.584 82.253 82.389 1.00 43.82 C +ATOM 9 O ARG A 18 87.678 83.363 81.892 1.00 61.73 O +ATOM 10 CB ARG A 18 87.318 80.199 80.972 1.00 81.50 C +ATOM 11 CG ARG A 18 86.506 78.949 80.623 1.00 76.83 C +ATOM 12 CD ARG A 18 85.676 78.386 81.816 1.00 80.51 C +ATOM 13 NE ARG A 18 85.148 77.065 81.475 1.00 93.82 N +ATOM 14 CZ ARG A 18 85.801 75.930 81.681 1.00 84.55 C +ATOM 15 NH1 ARG A 18 87.019 75.952 82.234 1.00 84.71 N +ATOM 16 NH2 ARG A 18 85.235 74.772 81.336 1.00 93.00 N +ATOM 17 N CYS A 19 88.331 81.857 83.417 1.00 55.24 N +ATOM 18 CA CYS A 19 89.391 82.712 83.970 1.00 49.17 C +ATOM 19 C CYS A 19 90.205 83.329 82.807 1.00 70.18 C +ATOM 20 O CYS A 19 90.857 82.599 82.056 1.00 71.09 O +ATOM 21 CB CYS A 19 90.314 81.920 84.889 1.00 55.19 C +ATOM 22 SG CYS A 19 91.612 82.946 85.690 1.00 61.72 S +ATOM 23 N SER A 20 90.104 84.665 82.598 1.00 47.33 N +ATOM 24 CA SER A 20 90.958 85.344 81.635 1.00 50.23 C +ATOM 25 C SER A 20 91.180 86.799 82.012 1.00 58.89 C +ATOM 26 O SER A 20 90.716 87.253 83.111 1.00 56.79 O +ATOM 27 CB SER A 20 90.479 85.154 80.165 1.00 84.33 C +ATOM 28 OG SER A 20 89.128 85.664 79.862 1.00 84.72 O +ATOM 29 N ARG A 21 91.967 87.498 81.192 1.00 53.69 N +ATOM 30 CA ARG A 21 92.402 88.872 81.551 1.00 61.47 C +ATOM 31 C ARG A 21 91.480 89.846 80.839 1.00 52.36 C +ATOM 32 O ARG A 21 91.372 89.841 79.598 1.00 65.84 O +ATOM 33 CB ARG A 21 93.866 89.146 81.149 1.00 56.62 C +ATOM 34 CG ARG A 21 94.600 90.167 82.050 1.00 53.28 C +ATOM 35 CD ARG A 21 95.989 90.585 81.534 1.00 46.65 C +ATOM 36 NE ARG A 21 95.985 90.818 80.087 1.00 60.22 N +ATOM 37 CZ ARG A 21 96.963 91.396 79.411 1.00 48.95 C +ATOM 38 NH1 ARG A 21 98.057 91.817 80.024 1.00 56.55 N +ATOM 39 NH2 ARG A 21 96.846 91.546 78.108 1.00 64.24 N +ATOM 40 N LYS A 22 90.777 90.661 81.630 1.00 54.03 N +ATOM 41 CA LYS A 22 89.879 91.623 81.048 1.00 29.55 C +ATOM 42 C LYS A 22 90.475 92.982 81.357 1.00 64.47 C +ATOM 43 O LYS A 22 91.409 93.101 82.175 1.00 61.42 O +ATOM 44 CB LYS A 22 88.478 91.492 81.632 1.00 21.15 C +ATOM 45 CG LYS A 22 87.830 90.085 81.361 1.00 70.46 C +ATOM 46 CD LYS A 22 87.178 90.002 79.940 1.00 93.13 C +ATOM 47 CE LYS A 22 86.886 88.442 79.724 1.00127.31 C +ATOM 48 NZ LYS A 22 87.087 88.123 78.240 1.00 90.45 N +ATOM 49 N ALA A 23 89.950 94.009 80.711 1.00 48.93 N +ATOM 50 CA ALA A 23 90.493 95.329 80.960 1.00 87.23 C +ATOM 51 C ALA A 23 90.144 95.871 82.380 1.00 75.26 C +ATOM 52 O ALA A 23 89.042 95.559 82.967 1.00105.82 O +ATOM 53 CB ALA A 23 89.998 96.339 79.866 1.00 37.75 C +ATOM 54 N LEU A 24 91.053 96.782 82.825 1.00 45.94 N +ATOM 55 CA LEU A 24 90.743 97.767 83.862 1.00 56.69 C +ATOM 56 C LEU A 24 91.484 99.084 83.575 1.00 55.19 C +ATOM 57 O LEU A 24 92.714 99.142 83.679 1.00 57.35 O +ATOM 58 CB LEU A 24 91.134 97.239 85.255 1.00 53.51 C +ATOM 59 CG LEU A 24 90.563 98.025 86.432 1.00 38.75 C +ATOM 60 CD1 LEU A 24 89.053 97.984 86.465 1.00 52.91 C +ATOM 61 CD2 LEU A 24 91.127 97.518 87.726 1.00 58.66 C +ATOM 62 N HIS A 25 90.717 100.124 83.226 1.00 46.75 N +ATOM 63 CA HIS A 25 91.240 101.473 82.904 1.00 50.01 C +ATOM 64 C HIS A 25 91.284 102.374 84.168 1.00 35.30 C +ATOM 65 O HIS A 25 90.243 102.804 84.678 1.00 47.04 O +ATOM 66 CB HIS A 25 90.309 102.133 81.849 1.00 55.03 C +ATOM 67 CG AHIS A 25 90.294 101.391 80.488 0.50 87.47 C +ATOM 68 CG BHIS A 25 90.813 103.443 81.321 0.50 65.59 C +ATOM 69 ND1AHIS A 25 91.118 101.780 79.357 0.50 63.93 N +ATOM 70 ND1BHIS A 25 92.008 103.567 80.640 0.50 71.67 N +ATOM 71 CD2AHIS A 25 89.515 100.332 80.027 0.50 93.26 C +ATOM 72 CD2BHIS A 25 90.271 104.686 81.362 0.50 56.13 C +ATOM 73 CE1AHIS A 25 90.860 100.974 78.288 0.50 84.77 C +ATOM 74 CE1BHIS A 25 92.186 104.834 80.296 0.50 63.53 C +ATOM 75 NE2AHIS A 25 89.897 100.083 78.664 0.50 89.40 N +ATOM 76 NE2BHIS A 25 91.146 105.532 80.721 0.50 45.81 N +ATOM 77 N VAL A 26 92.499 102.619 84.690 1.00 46.49 N +ATOM 78 CA VAL A 26 92.679 103.334 85.956 1.00 47.91 C +ATOM 79 C VAL A 26 92.865 104.824 85.640 1.00 47.70 C +ATOM 80 O VAL A 26 93.793 105.194 84.932 1.00 48.07 O +ATOM 81 CB VAL A 26 93.902 102.796 86.777 1.00 52.91 C +ATOM 82 CG1 VAL A 26 94.185 103.664 88.023 1.00 44.63 C +ATOM 83 CG2 VAL A 26 93.711 101.324 87.179 1.00 49.24 C +ATOM 84 N ASN A 27 91.984 105.658 86.177 1.00 44.74 N +ATOM 85 CA ASN A 27 92.050 107.113 85.985 1.00 39.61 C +ATOM 86 C ASN A 27 92.596 107.855 87.219 1.00 50.17 C +ATOM 87 O ASN A 27 91.875 108.050 88.200 1.00 62.08 O +ATOM 88 CB ASN A 27 90.669 107.659 85.631 1.00 29.77 C +ATOM 89 CG ASN A 27 90.716 109.116 85.189 1.00 57.66 C +ATOM 90 OD1 ASN A 27 91.777 109.750 85.229 1.00 71.09 O +ATOM 91 ND2 ASN A 27 89.569 109.664 84.775 1.00 35.90 N +ATOM 92 N PHE A 28 93.859 108.268 87.169 1.00 46.40 N +ATOM 93 CA PHE A 28 94.475 108.955 88.298 1.00 52.55 C +ATOM 94 C PHE A 28 93.882 110.333 88.572 1.00 74.51 C +ATOM 95 O PHE A 28 94.192 110.934 89.600 1.00 78.02 O +ATOM 96 CB PHE A 28 95.992 109.075 88.123 1.00 53.65 C +ATOM 97 CG PHE A 28 96.740 107.818 88.401 1.00 53.60 C +ATOM 98 CD1 PHE A 28 96.299 106.916 89.355 1.00 56.32 C +ATOM 99 CD2 PHE A 28 97.899 107.531 87.708 1.00 61.67 C +ATOM 100 CE1 PHE A 28 97.020 105.758 89.610 1.00 55.52 C +ATOM 101 CE2 PHE A 28 98.611 106.365 87.963 1.00 56.63 C +ATOM 102 CZ PHE A 28 98.170 105.489 88.903 1.00 59.62 C +ATOM 103 N LYS A 29 93.028 110.823 87.667 1.00 71.37 N +ATOM 104 CA LYS A 29 92.426 112.148 87.794 1.00 67.16 C +ATOM 105 C LYS A 29 91.255 112.191 88.775 1.00 75.28 C +ATOM 106 O LYS A 29 90.717 113.255 89.064 1.00 83.43 O +ATOM 107 CB LYS A 29 91.986 112.675 86.425 1.00 85.60 C +ATOM 108 CG LYS A 29 93.125 113.156 85.543 1.00 74.87 C +ATOM 109 CD LYS A 29 92.604 114.096 84.460 1.00 73.97 C +ATOM 110 CE LYS A 29 93.450 115.361 84.374 1.00 66.58 C +ATOM 111 NZ LYS A 29 93.029 116.209 83.218 1.00 81.63 N +ATOM 112 N ASP A 30 90.846 111.033 89.270 1.00 83.57 N +ATOM 113 CA ASP A 30 89.908 110.985 90.386 1.00 94.90 C +ATOM 114 C ASP A 30 90.720 111.164 91.660 1.00 97.55 C +ATOM 115 O ASP A 30 90.336 111.923 92.564 1.00 88.67 O +ATOM 116 CB ASP A 30 89.171 109.637 90.418 1.00 93.79 C +ATOM 117 CG ASP A 30 88.304 109.431 89.173 1.00 91.74 C +ATOM 118 OD1 ASP A 30 87.986 110.429 88.453 1.00 84.66 O +ATOM 119 OD2 ASP A 30 87.894 108.302 88.833 1.00 85.81 O +ATOM 120 N MET A 31 91.866 110.471 91.672 1.00 89.64 N +ATOM 121 CA MET A 31 92.779 110.308 92.804 1.00 76.11 C +ATOM 122 C MET A 31 93.033 111.526 93.682 1.00 61.83 C +ATOM 123 O MET A 31 93.374 111.380 94.842 1.00 66.74 O +ATOM 124 CB MET A 31 94.128 109.780 92.293 1.00 55.15 C +ATOM 125 CG MET A 31 94.470 108.367 92.751 1.00 77.06 C +ATOM 126 SD MET A 31 93.082 107.232 92.911 1.00 70.79 S +ATOM 127 CE MET A 31 93.721 105.769 92.072 1.00 67.70 C +ATOM 128 N GLY A 32 92.896 112.715 93.121 1.00 61.49 N +ATOM 129 CA GLY A 32 93.097 113.938 93.872 1.00 49.80 C +ATOM 130 C GLY A 32 94.571 114.286 93.935 1.00 57.16 C +ATOM 131 O GLY A 32 95.066 114.817 94.938 1.00 55.17 O +ATOM 132 N TRP A 33 95.272 114.021 92.837 1.00 62.53 N +ATOM 133 CA TRP A 33 96.704 114.245 92.764 1.00 59.34 C +ATOM 134 C TRP A 33 97.083 115.344 91.775 1.00 84.98 C +ATOM 135 O TRP A 33 98.259 115.452 91.368 1.00 75.07 O +ATOM 136 CB TRP A 33 97.378 112.939 92.356 1.00 61.79 C +ATOM 137 CG TRP A 33 97.284 111.873 93.415 1.00 55.28 C +ATOM 138 CD1 TRP A 33 96.973 112.048 94.748 1.00 59.98 C +ATOM 139 CD2 TRP A 33 97.507 110.473 93.243 1.00 68.67 C +ATOM 140 NE1 TRP A 33 96.983 110.837 95.398 1.00 48.50 N +ATOM 141 CE2 TRP A 33 97.311 109.854 94.501 1.00 49.81 C +ATOM 142 CE3 TRP A 33 97.862 109.672 92.153 1.00 71.07 C +ATOM 143 CZ2 TRP A 33 97.461 108.477 94.693 1.00 58.21 C +ATOM 144 CZ3 TRP A 33 98.001 108.302 92.348 1.00 62.37 C +ATOM 145 CH2 TRP A 33 97.802 107.721 93.608 1.00 66.43 C +ATOM 146 N ASP A 34 96.104 116.181 91.421 1.00 63.63 N +ATOM 147 CA ASP A 34 96.222 117.005 90.211 1.00 69.77 C +ATOM 148 C ASP A 34 97.336 118.027 90.262 1.00 77.53 C +ATOM 149 O ASP A 34 97.996 118.287 89.250 1.00 77.88 O +ATOM 150 CB ASP A 34 94.877 117.638 89.812 1.00 83.20 C +ATOM 151 CG ASP A 34 94.094 116.764 88.819 1.00112.65 C +ATOM 152 OD1 ASP A 34 92.936 117.124 88.488 1.00 95.81 O +ATOM 153 OD2 ASP A 34 94.560 115.699 88.322 1.00 78.36 O +ATOM 154 N ASP A 35 97.567 118.584 91.445 1.00 69.57 N +ATOM 155 CA ASP A 35 98.687 119.490 91.624 1.00 71.66 C +ATOM 156 C ASP A 35 100.054 118.803 91.540 1.00 76.57 C +ATOM 157 O ASP A 35 101.076 119.482 91.388 1.00 74.51 O +ATOM 158 CB ASP A 35 98.537 120.296 92.921 1.00 74.86 C +ATOM 159 CG ASP A 35 97.704 121.559 92.717 1.00 84.47 C +ATOM 160 OD1 ASP A 35 97.839 122.194 91.643 1.00 82.89 O +ATOM 161 OD2 ASP A 35 96.882 121.985 93.556 1.00 89.81 O +ATOM 162 N TRP A 36 100.084 117.471 91.606 1.00 54.33 N +ATOM 163 CA TRP A 36 101.369 116.800 91.671 1.00 53.39 C +ATOM 164 C TRP A 36 101.701 115.899 90.488 1.00 50.06 C +ATOM 165 O TRP A 36 102.813 115.950 89.997 1.00 53.33 O +ATOM 166 CB TRP A 36 101.550 116.112 93.030 1.00 57.27 C +ATOM 167 CG TRP A 36 101.335 117.112 94.121 1.00 62.61 C +ATOM 168 CD1 TRP A 36 102.210 118.082 94.523 1.00 60.23 C +ATOM 169 CD2 TRP A 36 100.134 117.323 94.871 1.00 45.67 C +ATOM 170 NE1 TRP A 36 101.640 118.850 95.509 1.00 60.13 N +ATOM 171 CE2 TRP A 36 100.364 118.405 95.739 1.00 55.65 C +ATOM 172 CE3 TRP A 36 98.893 116.692 94.908 1.00 52.38 C +ATOM 173 CZ2 TRP A 36 99.399 118.865 96.643 1.00 58.61 C +ATOM 174 CZ3 TRP A 36 97.942 117.140 95.808 1.00 61.90 C +ATOM 175 CH2 TRP A 36 98.199 118.217 96.660 1.00 53.88 C +ATOM 176 N ILE A 37 100.739 115.135 89.988 1.00 47.20 N +ATOM 177 CA ILE A 37 101.044 114.117 88.989 1.00 53.37 C +ATOM 178 C ILE A 37 101.192 114.653 87.542 1.00 53.91 C +ATOM 179 O ILE A 37 100.360 115.391 87.043 1.00 54.65 O +ATOM 180 CB ILE A 37 100.048 112.944 89.116 1.00 52.54 C +ATOM 181 CG1 ILE A 37 100.491 111.751 88.283 1.00 59.15 C +ATOM 182 CG2 ILE A 37 98.666 113.377 88.724 1.00 64.61 C +ATOM 183 CD1 ILE A 37 99.854 110.467 88.797 1.00 67.50 C +ATOM 184 N ILE A 38 102.292 114.314 86.895 1.00 55.22 N +ATOM 185 CA ILE A 38 102.488 114.744 85.525 1.00 50.93 C +ATOM 186 C ILE A 38 102.025 113.667 84.546 1.00 44.60 C +ATOM 187 O ILE A 38 101.190 113.926 83.691 1.00 51.22 O +ATOM 188 CB ILE A 38 103.957 115.155 85.268 1.00 54.01 C +ATOM 189 CG1 ILE A 38 104.360 116.297 86.207 1.00 53.04 C +ATOM 190 CG2 ILE A 38 104.150 115.544 83.786 1.00 46.62 C +ATOM 191 CD1 ILE A 38 105.850 116.569 86.260 1.00 58.09 C +ATOM 192 N ALA A 39 102.536 112.456 84.693 1.00 46.44 N +ATOM 193 CA ALA A 39 102.198 111.386 83.765 1.00 47.92 C +ATOM 194 C ALA A 39 102.546 110.082 84.439 1.00 53.20 C +ATOM 195 O ALA A 39 103.434 110.085 85.272 1.00 61.73 O +ATOM 196 CB ALA A 39 102.985 111.569 82.460 1.00 56.29 C +ATOM 197 N PRO A 40 101.834 108.978 84.152 1.00 54.95 N +ATOM 198 CA PRO A 40 100.635 108.982 83.303 1.00 53.76 C +ATOM 199 C PRO A 40 99.408 109.396 84.110 1.00 54.01 C +ATOM 200 O PRO A 40 99.387 109.229 85.307 1.00 48.56 O +ATOM 201 CB PRO A 40 100.518 107.531 82.879 1.00 48.48 C +ATOM 202 CG PRO A 40 101.036 106.764 84.053 1.00 55.74 C +ATOM 203 CD PRO A 40 102.142 107.626 84.649 1.00 55.02 C +ATOM 204 N LEU A 41 98.402 109.941 83.459 1.00 44.99 N +ATOM 205 CA LEU A 41 97.215 110.329 84.173 1.00 45.57 C +ATOM 206 C LEU A 41 96.198 109.210 84.108 1.00 41.43 C +ATOM 207 O LEU A 41 95.196 109.227 84.809 1.00 43.80 O +ATOM 208 CB LEU A 41 96.651 111.625 83.596 1.00 43.61 C +ATOM 209 CG LEU A 41 97.026 112.947 84.276 1.00 62.33 C +ATOM 210 CD1 LEU A 41 98.352 112.905 84.993 1.00 58.95 C +ATOM 211 CD2 LEU A 41 97.072 114.025 83.226 1.00 56.40 C +ATOM 212 N GLU A 42 96.474 108.237 83.254 1.00 45.14 N +ATOM 213 CA GLU A 42 95.631 107.066 83.109 1.00 46.56 C +ATOM 214 C GLU A 42 96.534 105.913 82.703 1.00 46.69 C +ATOM 215 O GLU A 42 97.552 106.123 82.041 1.00 48.97 O +ATOM 216 CB GLU A 42 94.514 107.311 82.062 1.00 41.71 C +ATOM 217 CG GLU A 42 94.746 106.692 80.685 1.00 53.01 C +ATOM 218 CD GLU A 42 94.355 107.611 79.530 1.00123.05 C +ATOM 219 OE1 GLU A 42 93.255 107.436 78.944 1.00102.15 O +ATOM 220 OE2 GLU A 42 95.155 108.509 79.182 1.00124.57 O +ATOM 221 N TYR A 43 96.167 104.701 83.105 1.00 44.16 N +ATOM 222 CA TYR A 43 96.860 103.499 82.619 1.00 47.81 C +ATOM 223 C TYR A 43 95.962 102.259 82.634 1.00 47.58 C +ATOM 224 O TYR A 43 94.959 102.203 83.332 1.00 46.96 O +ATOM 225 CB TYR A 43 98.181 103.254 83.369 1.00 45.35 C +ATOM 226 CG TYR A 43 98.053 102.487 84.666 1.00 55.32 C +ATOM 227 CD1 TYR A 43 97.549 103.093 85.802 1.00 51.62 C +ATOM 228 CD2 TYR A 43 98.445 101.151 84.755 1.00 55.43 C +ATOM 229 CE1 TYR A 43 97.432 102.392 87.007 1.00 50.04 C +ATOM 230 CE2 TYR A 43 98.330 100.442 85.949 1.00 53.23 C +ATOM 231 CZ TYR A 43 97.822 101.072 87.073 1.00 62.40 C +ATOM 232 OH TYR A 43 97.708 100.373 88.256 1.00 58.20 O +ATOM 233 N GLU A 44 96.325 101.302 81.801 1.00 47.23 N +ATOM 234 CA GLU A 44 95.608 100.045 81.683 1.00 46.45 C +ATOM 235 C GLU A 44 96.180 99.023 82.703 1.00 50.81 C +ATOM 236 O GLU A 44 97.297 98.536 82.551 1.00 54.17 O +ATOM 237 CB GLU A 44 95.720 99.543 80.238 1.00 49.44 C +ATOM 238 CG GLU A 44 95.081 98.187 79.989 1.00 74.22 C +ATOM 239 CD GLU A 44 93.634 98.139 80.447 1.00 99.56 C +ATOM 240 OE1 GLU A 44 92.824 98.942 79.918 1.00116.43 O +ATOM 241 OE2 GLU A 44 93.313 97.315 81.339 1.00 69.48 O +ATOM 242 N ALA A 45 95.424 98.734 83.755 1.00 45.01 N +ATOM 243 CA ALA A 45 95.899 97.818 84.793 1.00 52.53 C +ATOM 244 C ALA A 45 95.492 96.380 84.546 1.00 52.53 C +ATOM 245 O ALA A 45 96.168 95.466 85.022 1.00 54.37 O +ATOM 246 CB ALA A 45 95.420 98.259 86.181 1.00 47.19 C +ATOM 247 N PHE A 46 94.386 96.181 83.829 1.00 42.86 N +ATOM 248 CA PHE A 46 93.741 94.862 83.714 1.00 55.48 C +ATOM 249 C PHE A 46 93.212 94.293 85.050 1.00 54.94 C +ATOM 250 O PHE A 46 93.553 94.776 86.146 1.00 52.97 O +ATOM 251 CB PHE A 46 94.677 93.839 83.059 1.00 50.33 C +ATOM 252 CG PHE A 46 95.174 94.252 81.700 1.00 61.11 C +ATOM 253 CD1 PHE A 46 94.331 94.198 80.593 1.00 46.01 C +ATOM 254 CD2 PHE A 46 96.483 94.681 81.524 1.00 45.61 C +ATOM 255 CE1 PHE A 46 94.784 94.564 79.333 1.00 66.72 C +ATOM 256 CE2 PHE A 46 96.946 95.046 80.263 1.00 56.09 C +ATOM 257 CZ PHE A 46 96.091 94.994 79.164 1.00 54.54 C +ATOM 258 N HIS A 47 92.350 93.289 84.940 1.00 57.37 N +ATOM 259 CA HIS A 47 91.903 92.497 86.082 1.00 50.18 C +ATOM 260 C HIS A 47 91.524 91.086 85.621 1.00 49.50 C +ATOM 261 O HIS A 47 91.273 90.842 84.445 1.00 54.69 O +ATOM 262 CB HIS A 47 90.732 93.160 86.834 1.00 42.44 C +ATOM 263 CG HIS A 47 89.434 93.158 86.082 1.00 40.80 C +ATOM 264 ND1 HIS A 47 88.400 92.292 86.384 1.00 58.71 N +ATOM 265 CD2 HIS A 47 88.989 93.936 85.062 1.00 58.65 C +ATOM 266 CE1 HIS A 47 87.381 92.523 85.572 1.00 34.97 C +ATOM 267 NE2 HIS A 47 87.716 93.514 84.755 1.00 54.78 N +ATOM 268 N CYS A 48 91.475 90.176 86.574 1.00 50.48 N +ATOM 269 CA CYS A 48 91.237 88.761 86.315 1.00 56.34 C +ATOM 270 C CYS A 48 89.830 88.426 86.709 1.00 56.12 C +ATOM 271 O CYS A 48 89.370 88.833 87.777 1.00 64.92 O +ATOM 272 CB CYS A 48 92.187 87.936 87.153 1.00 44.44 C +ATOM 273 SG CYS A 48 93.890 88.176 86.644 1.00 60.01 S +ATOM 274 N GLU A 49 89.148 87.684 85.845 1.00 47.35 N +ATOM 275 CA GLU A 49 87.753 87.389 86.045 1.00 48.23 C +ATOM 276 C GLU A 49 87.432 86.081 85.341 1.00 51.70 C +ATOM 277 O GLU A 49 87.942 85.820 84.258 1.00 54.45 O +ATOM 278 CB GLU A 49 86.930 88.528 85.430 1.00 53.45 C +ATOM 279 CG GLU A 49 85.440 88.507 85.701 1.00 43.95 C +ATOM 280 CD GLU A 49 84.763 89.784 85.232 1.00 76.07 C +ATOM 281 OE1 GLU A 49 84.845 90.800 85.960 1.00 92.75 O +ATOM 282 OE2 GLU A 49 84.158 89.787 84.124 1.00109.05 O +ATOM 283 N GLY A 50 86.602 85.256 85.964 1.00 55.29 N +ATOM 284 CA GLY A 50 86.005 84.121 85.276 1.00 53.34 C +ATOM 285 C GLY A 50 86.132 82.826 86.040 1.00 47.66 C +ATOM 286 O GLY A 50 86.873 82.754 87.022 1.00 54.38 O +ATOM 287 N LEU A 51 85.438 81.801 85.545 1.00 44.27 N +ATOM 288 CA LEU A 51 85.350 80.507 86.217 1.00 63.34 C +ATOM 289 C LEU A 51 86.690 79.770 86.303 1.00 51.83 C +ATOM 290 O LEU A 51 87.548 79.852 85.410 1.00 56.57 O +ATOM 291 CB LEU A 51 84.303 79.604 85.548 1.00 46.02 C +ATOM 292 CG LEU A 51 82.829 80.006 85.872 1.00 93.52 C +ATOM 293 CD1 LEU A 51 81.838 79.235 85.000 1.00 71.73 C +ATOM 294 CD2 LEU A 51 82.535 79.758 87.397 1.00106.12 C +ATOM 295 N CYS A 52 86.837 79.043 87.402 1.00 47.10 N +ATOM 296 CA CYS A 52 88.031 78.240 87.634 1.00 62.47 C +ATOM 297 C CYS A 52 87.620 76.814 87.804 1.00 56.36 C +ATOM 298 O CYS A 52 87.311 76.375 88.907 1.00 65.07 O +ATOM 299 CB CYS A 52 88.744 78.703 88.898 1.00 52.67 C +ATOM 300 SG CYS A 52 89.842 80.066 88.524 1.00 64.64 S +ATOM 301 N GLU A 53 87.614 76.076 86.715 1.00 51.50 N +ATOM 302 CA GLU A 53 87.144 74.723 86.804 1.00 54.39 C +ATOM 303 C GLU A 53 87.799 73.891 85.730 1.00 49.66 C +ATOM 304 O GLU A 53 88.398 74.430 84.786 1.00 47.45 O +ATOM 305 CB GLU A 53 85.617 74.701 86.717 1.00 53.42 C +ATOM 306 CG GLU A 53 85.076 74.977 85.332 1.00 70.08 C +ATOM 307 CD GLU A 53 83.638 75.468 85.341 1.00101.75 C +ATOM 308 OE1 GLU A 53 83.150 75.926 86.398 1.00109.36 O +ATOM 309 OE2 GLU A 53 82.992 75.397 84.280 1.00 63.29 O +ATOM 310 N PHE A 54 87.707 72.572 85.896 1.00 49.70 N +ATOM 311 CA PHE A 54 88.161 71.672 84.860 1.00 56.30 C +ATOM 312 C PHE A 54 87.455 72.129 83.535 1.00 41.92 C +ATOM 313 O PHE A 54 86.237 72.436 83.516 1.00 65.74 O +ATOM 314 CB PHE A 54 87.948 70.200 85.263 1.00 42.72 C +ATOM 315 CG PHE A 54 88.808 69.760 86.434 1.00 42.54 C +ATOM 316 CD1 PHE A 54 88.230 69.262 87.597 1.00 52.27 C +ATOM 317 CD2 PHE A 54 90.182 69.870 86.386 1.00 45.99 C +ATOM 318 CE1 PHE A 54 89.018 68.851 88.673 1.00 44.18 C +ATOM 319 CE2 PHE A 54 90.965 69.494 87.459 1.00 46.56 C +ATOM 320 CZ PHE A 54 90.369 68.961 88.607 1.00 44.16 C +ATOM 321 N PRO A 55 88.197 72.217 82.429 1.00 50.55 N +ATOM 322 CA PRO A 55 89.633 71.881 82.453 1.00 42.12 C +ATOM 323 C PRO A 55 90.468 73.075 82.755 1.00 64.24 C +ATOM 324 O PRO A 55 90.188 74.185 82.273 1.00 70.98 O +ATOM 325 CB PRO A 55 89.895 71.451 81.013 1.00 77.93 C +ATOM 326 CG PRO A 55 88.840 72.224 80.117 1.00 77.52 C +ATOM 327 CD PRO A 55 87.700 72.585 81.060 1.00 73.16 C +ATOM 328 N LEU A 56 91.498 72.859 83.558 1.00 52.57 N +ATOM 329 CA LEU A 56 92.446 73.902 83.835 1.00 55.59 C +ATOM 330 C LEU A 56 93.464 73.983 82.694 1.00 64.91 C +ATOM 331 O LEU A 56 94.408 73.170 82.605 1.00 65.62 O +ATOM 332 CB LEU A 56 93.132 73.641 85.169 1.00 53.97 C +ATOM 333 CG LEU A 56 92.167 73.638 86.351 1.00 54.37 C +ATOM 334 CD1 LEU A 56 92.825 73.052 87.586 1.00 57.57 C +ATOM 335 CD2 LEU A 56 91.646 75.032 86.633 1.00 63.11 C +ATOM 336 N ARG A 57 93.250 74.947 81.807 1.00 56.10 N +ATOM 337 CA ARG A 57 94.156 75.155 80.685 1.00 73.99 C +ATOM 338 C ARG A 57 95.568 75.454 81.180 1.00 59.80 C +ATOM 339 O ARG A 57 95.754 76.007 82.253 1.00 54.30 O +ATOM 340 CB ARG A 57 93.634 76.252 79.753 1.00 62.32 C +ATOM 341 CG ARG A 57 92.101 76.160 79.555 1.00 80.89 C +ATOM 342 CD ARG A 57 91.701 76.484 78.037 1.00113.37 C +ATOM 343 NE ARG A 57 90.962 75.318 77.424 1.00105.83 N +ATOM 344 CZ ARG A 57 89.738 74.932 77.899 1.00102.83 C +ATOM 345 NH1 ARG A 57 89.068 75.644 78.993 1.00 61.02 N +ATOM 346 NH2 ARG A 57 89.169 73.831 77.275 1.00 86.22 N +ATOM 347 N SER A 58 96.562 75.053 80.388 1.00 78.47 N +ATOM 348 CA SER A 58 97.957 75.201 80.806 1.00 89.22 C +ATOM 349 C SER A 58 98.366 76.646 81.145 1.00 98.27 C +ATOM 350 O SER A 58 99.268 76.856 82.000 1.00 90.53 O +ATOM 351 CB SER A 58 98.882 74.631 79.744 1.00 70.53 C +ATOM 352 OG SER A 58 99.797 75.641 79.341 1.00 92.39 O +ATOM 353 N HIS A 59 97.697 77.636 80.513 1.00 82.86 N +ATOM 354 CA HIS A 59 98.015 79.040 80.797 1.00 61.91 C +ATOM 355 C HIS A 59 97.533 79.520 82.176 1.00 74.55 C +ATOM 356 O HIS A 59 97.991 80.545 82.688 1.00 64.89 O +ATOM 357 CB HIS A 59 97.550 79.973 79.653 1.00 81.40 C +ATOM 358 CG HIS A 59 96.058 80.053 79.473 1.00105.69 C +ATOM 359 ND1 HIS A 59 95.349 79.228 78.592 1.00125.92 N +ATOM 360 CD2 HIS A 59 95.131 80.893 80.028 1.00 88.88 C +ATOM 361 CE1 HIS A 59 94.063 79.540 78.632 1.00122.09 C +ATOM 362 NE2 HIS A 59 93.896 80.549 79.499 1.00 76.77 N +ATOM 363 N LEU A 60 96.636 78.771 82.807 1.00 63.97 N +ATOM 364 CA LEU A 60 96.266 79.107 84.167 1.00 56.91 C +ATOM 365 C LEU A 60 97.357 78.681 85.170 1.00 59.55 C +ATOM 366 O LEU A 60 97.241 78.990 86.367 1.00 67.07 O +ATOM 367 CB LEU A 60 94.947 78.425 84.550 1.00 72.67 C +ATOM 368 CG LEU A 60 93.597 79.105 84.264 1.00 88.34 C +ATOM 369 CD1 LEU A 60 93.738 80.319 83.332 1.00 65.51 C +ATOM 370 CD2 LEU A 60 92.601 78.081 83.703 1.00 60.72 C +ATOM 371 N GLU A 61 98.365 77.948 84.679 1.00 57.52 N +ATOM 372 CA GLU A 61 99.482 77.384 85.463 1.00 62.71 C +ATOM 373 C GLU A 61 99.142 77.041 86.918 1.00 65.66 C +ATOM 374 O GLU A 61 99.716 77.602 87.851 1.00 66.48 O +ATOM 375 CB GLU A 61 100.677 78.333 85.399 1.00 70.01 C +ATOM 376 CG GLU A 61 101.032 78.698 83.965 1.00 74.47 C +ATOM 377 CD GLU A 61 102.283 79.533 83.853 1.00105.09 C +ATOM 378 OE1 GLU A 61 102.268 80.667 84.372 1.00 74.75 O +ATOM 379 OE2 GLU A 61 103.269 79.059 83.237 1.00 97.71 O +ATOM 380 N PRO A 62 98.182 76.148 87.118 1.00 62.97 N +ATOM 381 CA PRO A 62 97.682 75.887 88.464 1.00 55.93 C +ATOM 382 C PRO A 62 98.779 75.289 89.362 1.00 49.20 C +ATOM 383 O PRO A 62 99.615 74.540 88.895 1.00 50.38 O +ATOM 384 CB PRO A 62 96.558 74.876 88.218 1.00 53.35 C +ATOM 385 CG PRO A 62 96.890 74.227 86.921 1.00 49.83 C +ATOM 386 CD PRO A 62 97.529 75.294 86.106 1.00 61.89 C +ATOM 387 N THR A 63 98.794 75.666 90.624 1.00 49.60 N +ATOM 388 CA THR A 63 99.635 75.002 91.605 1.00 50.44 C +ATOM 389 C THR A 63 99.046 73.626 91.883 1.00 52.07 C +ATOM 390 O THR A 63 97.892 73.367 91.538 1.00 50.71 O +ATOM 391 CB THR A 63 99.628 75.822 92.907 1.00 58.92 C +ATOM 392 OG1 THR A 63 98.269 76.155 93.239 1.00 52.17 O +ATOM 393 CG2 THR A 63 100.299 77.212 92.673 1.00 57.37 C +ATOM 394 N ASN A 64 99.830 72.743 92.497 1.00 48.28 N +ATOM 395 CA ASN A 64 99.313 71.473 92.998 1.00 48.23 C +ATOM 396 C ASN A 64 98.116 71.664 93.893 1.00 49.41 C +ATOM 397 O ASN A 64 97.138 70.941 93.765 1.00 46.64 O +ATOM 398 CB ASN A 64 100.392 70.716 93.762 1.00 44.74 C +ATOM 399 CG ASN A 64 101.458 70.177 92.848 1.00 52.77 C +ATOM 400 OD1 ASN A 64 101.154 69.749 91.752 1.00 56.29 O +ATOM 401 ND2 ASN A 64 102.712 70.216 93.278 1.00 43.52 N +ATOM 402 N HIS A 65 98.198 72.645 94.797 1.00 50.69 N +ATOM 403 CA HIS A 65 97.097 72.945 95.701 1.00 46.92 C +ATOM 404 C HIS A 65 95.824 73.283 94.941 1.00 51.26 C +ATOM 405 O HIS A 65 94.754 72.815 95.308 1.00 49.02 O +ATOM 406 CB HIS A 65 97.438 74.089 96.667 1.00 51.46 C +ATOM 407 CG HIS A 65 96.381 74.307 97.693 1.00 51.89 C +ATOM 408 ND1 HIS A 65 95.257 75.068 97.452 1.00 43.76 N +ATOM 409 CD2 HIS A 65 96.232 73.795 98.936 1.00 42.64 C +ATOM 410 CE1 HIS A 65 94.474 75.035 98.516 1.00 46.20 C +ATOM 411 NE2 HIS A 65 95.044 74.269 99.428 1.00 50.53 N +ATOM 412 N ALA A 66 95.929 74.111 93.906 1.00 50.03 N +ATOM 413 CA ALA A 66 94.755 74.482 93.100 1.00 55.55 C +ATOM 414 C ALA A 66 94.119 73.302 92.349 1.00 50.17 C +ATOM 415 O ALA A 66 92.904 73.265 92.195 1.00 47.63 O +ATOM 416 CB ALA A 66 95.117 75.597 92.087 1.00 48.99 C +ATOM 417 N VAL A 67 94.938 72.386 91.829 1.00 48.47 N +ATOM 418 CA VAL A 67 94.413 71.195 91.160 1.00 51.32 C +ATOM 419 C VAL A 67 93.596 70.375 92.162 1.00 53.67 C +ATOM 420 O VAL A 67 92.470 69.994 91.871 1.00 50.69 O +ATOM 421 CB VAL A 67 95.528 70.343 90.559 1.00 55.47 C +ATOM 422 CG1 VAL A 67 94.982 68.984 90.098 1.00 53.32 C +ATOM 423 CG2 VAL A 67 96.217 71.103 89.395 1.00 46.34 C +ATOM 424 N ILE A 68 94.161 70.159 93.347 1.00 48.75 N +ATOM 425 CA ILE A 68 93.530 69.388 94.409 1.00 50.75 C +ATOM 426 C ILE A 68 92.244 70.039 94.887 1.00 54.57 C +ATOM 427 O ILE A 68 91.224 69.361 95.047 1.00 53.22 O +ATOM 428 CB ILE A 68 94.498 69.197 95.611 1.00 56.45 C +ATOM 429 CG1 ILE A 68 95.632 68.249 95.225 1.00 58.84 C +ATOM 430 CG2 ILE A 68 93.759 68.611 96.819 1.00 54.19 C +ATOM 431 CD1 ILE A 68 96.826 68.306 96.145 1.00 60.49 C +ATOM 432 N GLN A 69 92.283 71.352 95.120 1.00 54.00 N +ATOM 433 CA GLN A 69 91.061 72.065 95.465 1.00 59.41 C +ATOM 434 C GLN A 69 90.006 71.989 94.366 1.00 47.56 C +ATOM 435 O GLN A 69 88.816 71.813 94.645 1.00 47.77 O +ATOM 436 CB GLN A 69 91.330 73.516 95.849 1.00 55.14 C +ATOM 437 CG GLN A 69 90.115 74.136 96.525 1.00 49.42 C +ATOM 438 CD GLN A 69 90.315 75.574 96.971 1.00 59.65 C +ATOM 439 OE1 GLN A 69 91.390 75.943 97.441 1.00 54.82 O +ATOM 440 NE2 GLN A 69 89.281 76.391 96.812 1.00 56.42 N +ATOM 441 N THR A 70 90.429 72.127 93.119 1.00 48.67 N +ATOM 442 CA THR A 70 89.478 72.078 92.016 1.00 56.72 C +ATOM 443 C THR A 70 88.832 70.686 91.972 1.00 52.47 C +ATOM 444 O THR A 70 87.643 70.581 91.692 1.00 47.56 O +ATOM 445 CB THR A 70 90.182 72.386 90.698 1.00 52.86 C +ATOM 446 OG1 THR A 70 90.686 73.713 90.764 1.00 50.72 O +ATOM 447 CG2 THR A 70 89.203 72.378 89.478 1.00 44.16 C +ATOM 448 N LEU A 71 89.616 69.644 92.250 1.00 49.60 N +ATOM 449 CA LEU A 71 89.107 68.260 92.187 1.00 57.98 C +ATOM 450 C LEU A 71 88.080 68.060 93.289 1.00 51.87 C +ATOM 451 O LEU A 71 86.989 67.601 93.033 1.00 53.28 O +ATOM 452 CB LEU A 71 90.223 67.215 92.304 1.00 50.38 C +ATOM 453 CG LEU A 71 89.821 65.728 92.425 1.00 58.43 C +ATOM 454 CD1 LEU A 71 89.150 65.131 91.145 1.00 48.78 C +ATOM 455 CD2 LEU A 71 91.043 64.921 92.776 1.00 57.06 C +ATOM 456 N MET A 72 88.416 68.484 94.495 1.00 54.00 N +ATOM 457 CA MET A 72 87.515 68.350 95.626 1.00 55.39 C +ATOM 458 C MET A 72 86.198 69.106 95.424 1.00 56.16 C +ATOM 459 O MET A 72 85.132 68.570 95.710 1.00 63.03 O +ATOM 460 CB MET A 72 88.234 68.767 96.907 1.00 51.92 C +ATOM 461 CG MET A 72 89.230 67.661 97.374 1.00 51.84 C +ATOM 462 SD MET A 72 90.140 68.243 98.805 1.00 61.58 S +ATOM 463 CE MET A 72 88.849 67.978 100.154 1.00 65.25 C +ATOM 464 N ASN A 73 86.268 70.329 94.905 1.00 50.77 N +ATOM 465 CA ASN A 73 85.068 71.085 94.528 1.00 47.62 C +ATOM 466 C ASN A 73 84.247 70.354 93.478 1.00 51.15 C +ATOM 467 O ASN A 73 83.037 70.392 93.516 1.00 58.30 O +ATOM 468 CB ASN A 73 85.438 72.505 94.053 1.00 44.95 C +ATOM 469 CG ASN A 73 84.293 73.219 93.335 1.00 50.12 C +ATOM 470 OD1 ASN A 73 83.420 73.819 93.959 1.00 51.83 O +ATOM 471 ND2 ASN A 73 84.307 73.165 92.022 1.00 49.78 N +ATOM 472 N SER A 74 84.913 69.651 92.566 1.00 51.38 N +ATOM 473 CA SER A 74 84.210 68.904 91.517 1.00 49.97 C +ATOM 474 C SER A 74 83.536 67.653 92.044 1.00 58.19 C +ATOM 475 O SER A 74 82.441 67.314 91.619 1.00 55.98 O +ATOM 476 CB SER A 74 85.168 68.514 90.409 1.00 53.86 C +ATOM 477 OG SER A 74 84.459 67.914 89.351 1.00 62.08 O +ATOM 478 N MET A 75 84.198 66.954 92.959 1.00 61.26 N +ATOM 479 CA MET A 75 83.598 65.780 93.574 1.00 64.88 C +ATOM 480 C MET A 75 82.427 66.155 94.492 1.00 62.79 C +ATOM 481 O MET A 75 81.421 65.476 94.491 1.00 72.84 O +ATOM 482 CB MET A 75 84.645 64.969 94.330 1.00 53.64 C +ATOM 483 CG MET A 75 85.785 64.482 93.445 1.00 68.92 C +ATOM 484 SD MET A 75 87.025 63.636 94.447 1.00 70.51 S +ATOM 485 CE MET A 75 86.351 61.922 94.314 1.00 90.98 C +ATOM 486 N ASP A 76 82.545 67.242 95.257 1.00 64.68 N +ATOM 487 CA ASP A 76 81.465 67.628 96.192 1.00 64.02 C +ATOM 488 C ASP A 76 81.463 69.138 96.486 1.00 37.33 C +ATOM 489 O ASP A 76 82.056 69.581 97.516 1.00 68.17 O +ATOM 490 CB ASP A 76 81.598 66.839 97.524 1.00 67.67 C +ATOM 491 CG ASP A 76 80.385 67.012 98.482 1.00 85.17 C +ATOM 492 OD1 ASP A 76 79.462 67.880 98.271 1.00 93.82 O +ATOM 493 OD2 ASP A 76 80.302 66.312 99.525 1.00 71.71 O +ATOM 494 N PRO A 77 80.793 69.906 95.586 1.00 36.17 N +ATOM 495 CA PRO A 77 80.829 71.384 95.614 1.00 53.96 C +ATOM 496 C PRO A 77 80.284 72.004 96.892 1.00 61.19 C +ATOM 497 O PRO A 77 80.585 73.177 97.174 1.00 73.13 O +ATOM 498 CB PRO A 77 79.973 71.791 94.403 1.00 60.46 C +ATOM 499 CG PRO A 77 79.159 70.604 94.083 1.00 56.34 C +ATOM 500 CD PRO A 77 79.985 69.411 94.426 1.00 48.89 C +ATOM 501 N GLU A 78 79.518 71.219 97.650 1.00 64.47 N +ATOM 502 CA GLU A 78 78.986 71.661 98.930 1.00 79.73 C +ATOM 503 C GLU A 78 80.099 71.769 99.976 1.00 68.90 C +ATOM 504 O GLU A 78 80.126 72.714 100.766 1.00 76.57 O +ATOM 505 CB GLU A 78 77.864 70.719 99.406 1.00 82.03 C +ATOM 506 CG GLU A 78 77.004 71.288 100.533 1.00105.90 C +ATOM 507 CD GLU A 78 75.519 71.316 100.180 1.00125.90 C +ATOM 508 OE1 GLU A 78 74.923 72.422 100.183 1.00111.26 O +ATOM 509 OE2 GLU A 78 74.944 70.232 99.910 1.00127.69 O +ATOM 510 N SER A 79 81.010 70.800 99.969 1.00 62.92 N +ATOM 511 CA SER A 79 82.119 70.756 100.919 1.00 70.48 C +ATOM 512 C SER A 79 83.162 71.832 100.653 1.00 73.54 C +ATOM 513 O SER A 79 83.528 72.583 101.560 1.00 80.64 O +ATOM 514 CB SER A 79 82.816 69.392 100.863 1.00 80.82 C +ATOM 515 OG SER A 79 81.911 68.329 101.143 1.00 85.71 O +ATOM 516 N THR A 80 83.618 71.901 99.399 1.00 58.77 N +ATOM 517 CA THR A 80 84.777 72.709 98.992 1.00 58.13 C +ATOM 518 C THR A 80 84.482 73.722 97.884 1.00 49.78 C +ATOM 519 O THR A 80 84.031 73.341 96.803 1.00 55.72 O +ATOM 520 CB THR A 80 85.836 71.752 98.415 1.00 63.44 C +ATOM 521 OG1 THR A 80 86.130 70.726 99.368 1.00 62.61 O +ATOM 522 CG2 THR A 80 87.163 72.470 98.171 1.00 47.81 C +ATOM 523 N PRO A 81 84.786 74.998 98.108 1.00 59.49 N +ATOM 524 CA PRO A 81 84.609 76.002 97.053 1.00 57.56 C +ATOM 525 C PRO A 81 85.651 75.881 95.939 1.00 59.46 C +ATOM 526 O PRO A 81 86.708 75.235 96.125 1.00 52.78 O +ATOM 527 CB PRO A 81 84.769 77.325 97.804 1.00 57.78 C +ATOM 528 CG PRO A 81 85.691 77.009 98.896 1.00 55.23 C +ATOM 529 CD PRO A 81 85.314 75.600 99.350 1.00 66.03 C +ATOM 530 N PRO A 82 85.353 76.478 94.783 1.00 57.30 N +ATOM 531 CA PRO A 82 86.317 76.519 93.676 1.00 50.60 C +ATOM 532 C PRO A 82 87.466 77.435 94.003 1.00 57.90 C +ATOM 533 O PRO A 82 87.338 78.312 94.861 1.00 57.60 O +ATOM 534 CB PRO A 82 85.508 77.129 92.521 1.00 65.97 C +ATOM 535 CG PRO A 82 84.413 77.910 93.183 1.00 58.54 C +ATOM 536 CD PRO A 82 84.079 77.141 94.430 1.00 61.37 C +ATOM 537 N THR A 83 88.583 77.240 93.315 1.00 51.10 N +ATOM 538 CA THR A 83 89.650 78.196 93.399 1.00 57.75 C +ATOM 539 C THR A 83 89.200 79.471 92.696 1.00 54.08 C +ATOM 540 O THR A 83 88.107 79.564 92.134 1.00 55.23 O +ATOM 541 CB THR A 83 90.917 77.677 92.709 1.00 59.14 C +ATOM 542 OG1 THR A 83 90.588 77.339 91.366 1.00 63.88 O +ATOM 543 CG2 THR A 83 91.381 76.383 93.320 1.00 61.26 C +ATOM 544 N CYS A 84 90.096 80.441 92.698 1.00 57.71 N +ATOM 545 CA CYS A 84 89.773 81.750 92.212 1.00 57.07 C +ATOM 546 C CYS A 84 90.726 82.285 91.155 1.00 55.49 C +ATOM 547 O CYS A 84 91.929 82.023 91.207 1.00 51.32 O +ATOM 548 CB CYS A 84 89.817 82.676 93.389 1.00 62.35 C +ATOM 549 SG CYS A 84 88.281 83.515 93.405 1.00 79.57 S +ATOM 550 N CYS A 85 90.167 83.058 90.229 1.00 48.09 N +ATOM 551 CA CYS A 85 90.901 83.650 89.126 1.00 53.34 C +ATOM 552 C CYS A 85 91.620 84.930 89.583 1.00 52.30 C +ATOM 553 O CYS A 85 90.964 85.892 89.936 1.00 57.37 O +ATOM 554 CB CYS A 85 89.896 84.007 88.009 1.00 47.04 C +ATOM 555 SG CYS A 85 90.736 84.605 86.520 1.00 62.59 S +ATOM 556 N VAL A 86 92.951 84.940 89.582 1.00 53.58 N +ATOM 557 CA VAL A 86 93.728 86.067 90.102 1.00 51.62 C +ATOM 558 C VAL A 86 94.997 86.338 89.299 1.00 56.27 C +ATOM 559 O VAL A 86 95.410 85.497 88.531 1.00 53.11 O +ATOM 560 CB VAL A 86 94.155 85.829 91.559 1.00 57.56 C +ATOM 561 CG1 VAL A 86 92.933 85.821 92.477 1.00 54.19 C +ATOM 562 CG2 VAL A 86 95.036 84.558 91.684 1.00 53.59 C +ATOM 563 N PRO A 87 95.618 87.511 89.467 1.00 61.23 N +ATOM 564 CA PRO A 87 96.881 87.792 88.775 1.00 55.09 C +ATOM 565 C PRO A 87 97.997 86.898 89.257 1.00 59.62 C +ATOM 566 O PRO A 87 98.177 86.791 90.455 1.00 56.98 O +ATOM 567 CB PRO A 87 97.184 89.243 89.162 1.00 54.80 C +ATOM 568 CG PRO A 87 95.807 89.824 89.567 1.00 58.92 C +ATOM 569 CD PRO A 87 95.146 88.673 90.261 1.00 56.24 C +ATOM 570 N THR A 88 98.746 86.288 88.345 1.00 55.76 N +ATOM 571 CA THR A 88 99.896 85.461 88.738 1.00 59.65 C +ATOM 572 C THR A 88 101.223 86.120 88.374 1.00 62.50 C +ATOM 573 O THR A 88 102.267 85.741 88.893 1.00 63.13 O +ATOM 574 CB THR A 88 99.824 84.087 88.072 1.00 55.27 C +ATOM 575 OG1 THR A 88 99.618 84.253 86.670 1.00 55.36 O +ATOM 576 CG2 THR A 88 98.563 83.353 88.509 1.00 59.62 C +ATOM 577 N ARG A 89 101.181 87.092 87.469 1.00 51.07 N +ATOM 578 CA ARG A 89 102.363 87.883 87.148 1.00 59.89 C +ATOM 579 C ARG A 89 101.943 89.328 87.060 1.00 59.46 C +ATOM 580 O ARG A 89 100.948 89.650 86.421 1.00 58.24 O +ATOM 581 CB ARG A 89 102.932 87.500 85.793 1.00 61.72 C +ATOM 582 CG ARG A 89 103.926 86.361 85.793 1.00 75.48 C +ATOM 583 CD ARG A 89 104.360 85.920 84.376 1.00 79.93 C +ATOM 584 NE ARG A 89 104.914 84.559 84.354 1.00 85.56 N +ATOM 585 CZ ARG A 89 104.187 83.438 84.409 1.00 87.79 C +ATOM 586 NH1 ARG A 89 102.861 83.493 84.474 1.00 68.78 N +ATOM 587 NH2 ARG A 89 104.786 82.251 84.394 1.00 69.05 N +ATOM 588 N LEU A 90 102.689 90.203 87.712 1.00 60.34 N +ATOM 589 CA LEU A 90 102.419 91.622 87.576 1.00 63.72 C +ATOM 590 C LEU A 90 103.679 92.371 87.215 1.00 59.28 C +ATOM 591 O LEU A 90 104.797 91.885 87.441 1.00 58.70 O +ATOM 592 CB LEU A 90 101.790 92.190 88.848 1.00 65.23 C +ATOM 593 CG LEU A 90 100.493 91.494 89.270 1.00 61.01 C +ATOM 594 CD1 LEU A 90 100.730 90.757 90.555 1.00 62.38 C +ATOM 595 CD2 LEU A 90 99.364 92.480 89.431 1.00 60.75 C +ATOM 596 N SER A 91 103.502 93.547 86.629 1.00 54.52 N +ATOM 597 CA SER A 91 104.654 94.360 86.255 1.00 57.94 C +ATOM 598 C SER A 91 104.530 95.805 86.768 1.00 53.57 C +ATOM 599 O SER A 91 103.433 96.263 87.120 1.00 59.59 O +ATOM 600 CB SER A 91 104.916 94.258 84.750 1.00 64.58 C +ATOM 601 OG SER A 91 103.821 94.738 83.999 1.00 75.76 O +ATOM 602 N PRO A 92 105.652 96.504 86.899 1.00 61.67 N +ATOM 603 CA PRO A 92 105.608 97.850 87.474 1.00 59.04 C +ATOM 604 C PRO A 92 105.141 98.898 86.473 1.00 45.86 C +ATOM 605 O PRO A 92 105.080 98.619 85.287 1.00 56.80 O +ATOM 606 CB PRO A 92 107.059 98.097 87.866 1.00 51.76 C +ATOM 607 CG PRO A 92 107.853 97.329 86.836 1.00 60.60 C +ATOM 608 CD PRO A 92 107.030 96.105 86.541 1.00 58.28 C +ATOM 609 N ILE A 93 104.753 100.066 86.969 1.00 54.64 N +ATOM 610 CA ILE A 93 104.771 101.266 86.154 1.00 59.10 C +ATOM 611 C ILE A 93 105.516 102.345 86.897 1.00 58.52 C +ATOM 612 O ILE A 93 105.725 102.256 88.116 1.00 53.69 O +ATOM 613 CB ILE A 93 103.367 101.796 85.768 1.00 59.71 C +ATOM 614 CG1 ILE A 93 102.569 102.179 87.002 1.00 63.44 C +ATOM 615 CG2 ILE A 93 102.627 100.844 84.841 1.00 72.47 C +ATOM 616 CD1 ILE A 93 101.518 103.201 86.679 1.00 66.01 C +ATOM 617 N SER A 94 105.910 103.370 86.145 1.00 60.92 N +ATOM 618 CA SER A 94 106.597 104.499 86.712 1.00 54.80 C +ATOM 619 C SER A 94 105.717 105.748 86.634 1.00 56.06 C +ATOM 620 O SER A 94 104.999 105.950 85.653 1.00 57.28 O +ATOM 621 CB SER A 94 107.915 104.705 85.974 1.00 48.32 C +ATOM 622 OG SER A 94 108.832 103.695 86.323 1.00 67.94 O +ATOM 623 N ILE A 95 105.750 106.565 87.683 1.00 45.43 N +ATOM 624 CA ILE A 95 104.954 107.778 87.707 1.00 53.85 C +ATOM 625 C ILE A 95 105.791 109.040 87.856 1.00 48.91 C +ATOM 626 O ILE A 95 106.608 109.145 88.764 1.00 50.09 O +ATOM 627 CB ILE A 95 103.925 107.713 88.856 1.00 51.27 C +ATOM 628 CG1 ILE A 95 102.959 106.532 88.654 1.00 64.64 C +ATOM 629 CG2 ILE A 95 103.183 109.017 88.925 1.00 49.88 C +ATOM 630 CD1 ILE A 95 102.020 106.280 89.843 1.00 60.53 C +ATOM 631 N LEU A 96 105.548 110.001 86.975 1.00 52.50 N +ATOM 632 CA LEU A 96 106.269 111.264 86.984 1.00 51.97 C +ATOM 633 C LEU A 96 105.420 112.278 87.706 1.00 54.73 C +ATOM 634 O LEU A 96 104.287 112.541 87.297 1.00 52.54 O +ATOM 635 CB LEU A 96 106.591 111.732 85.554 1.00 50.55 C +ATOM 636 CG LEU A 96 107.461 112.983 85.389 1.00 51.73 C +ATOM 637 CD1 LEU A 96 108.909 112.675 85.758 1.00 59.21 C +ATOM 638 CD2 LEU A 96 107.408 113.511 83.967 1.00 44.35 C +ATOM 639 N PHE A 97 105.961 112.835 88.790 1.00 48.48 N +ATOM 640 CA PHE A 97 105.234 113.816 89.585 1.00 54.61 C +ATOM 641 C PHE A 97 106.158 114.815 90.269 1.00 56.45 C +ATOM 642 O PHE A 97 107.369 114.600 90.386 1.00 61.34 O +ATOM 643 CB PHE A 97 104.339 113.139 90.640 1.00 50.29 C +ATOM 644 CG PHE A 97 105.097 112.329 91.640 1.00 49.49 C +ATOM 645 CD1 PHE A 97 105.526 112.897 92.827 1.00 53.93 C +ATOM 646 CD2 PHE A 97 105.410 110.999 91.389 1.00 59.83 C +ATOM 647 CE1 PHE A 97 106.232 112.140 93.769 1.00 56.20 C +ATOM 648 CE2 PHE A 97 106.134 110.247 92.315 1.00 54.88 C +ATOM 649 CZ PHE A 97 106.529 110.816 93.508 1.00 49.48 C +ATOM 650 N ILE A 98 105.552 115.907 90.718 1.00 51.47 N +ATOM 651 CA ILE A 98 106.209 116.925 91.511 1.00 56.29 C +ATOM 652 C ILE A 98 105.906 116.652 92.982 1.00 57.76 C +ATOM 653 O ILE A 98 104.759 116.466 93.343 1.00 64.45 O +ATOM 654 CB ILE A 98 105.659 118.284 91.069 1.00 62.92 C +ATOM 655 CG1 ILE A 98 106.326 118.692 89.760 1.00 58.40 C +ATOM 656 CG2 ILE A 98 105.867 119.354 92.133 1.00 80.76 C +ATOM 657 CD1 ILE A 98 105.369 119.269 88.798 1.00 80.83 C +ATOM 658 N ASP A 99 106.921 116.599 93.832 1.00 61.19 N +ATOM 659 CA ASP A 99 106.655 116.420 95.255 1.00 62.00 C +ATOM 660 C ASP A 99 106.409 117.768 95.940 1.00 61.98 C +ATOM 661 O ASP A 99 106.396 118.806 95.273 1.00 60.77 O +ATOM 662 CB ASP A 99 107.748 115.580 95.943 1.00 56.45 C +ATOM 663 CG ASP A 99 109.118 116.276 95.981 1.00 72.86 C +ATOM 664 OD1 ASP A 99 109.242 117.483 95.647 1.00 59.27 O +ATOM 665 OD2 ASP A 99 110.149 115.667 96.340 1.00 65.33 O +ATOM 666 N SER A 100 106.204 117.750 97.259 1.00 77.41 N +ATOM 667 CA SER A 100 105.963 118.972 98.045 1.00 69.10 C +ATOM 668 C SER A 100 107.121 119.973 97.988 1.00 81.79 C +ATOM 669 O SER A 100 106.901 121.194 97.908 1.00 80.99 O +ATOM 670 CB SER A 100 105.673 118.618 99.506 1.00 67.96 C +ATOM 671 OG SER A 100 105.766 117.209 99.708 1.00 92.00 O +ATOM 672 N ALA A 101 108.350 119.453 98.034 1.00 79.98 N +ATOM 673 CA ALA A 101 109.553 120.284 97.927 1.00 74.28 C +ATOM 674 C ALA A 101 109.740 120.843 96.514 1.00 75.86 C +ATOM 675 O ALA A 101 110.662 121.627 96.269 1.00 68.21 O +ATOM 676 CB ALA A 101 110.785 119.495 98.354 1.00 72.02 C +ATOM 677 N ASN A 102 108.877 120.424 95.583 1.00 64.78 N +ATOM 678 CA ASN A 102 108.925 120.943 94.225 1.00 69.61 C +ATOM 679 C ASN A 102 110.030 120.299 93.372 1.00 50.35 C +ATOM 680 O ASN A 102 110.515 120.884 92.400 1.00 56.07 O +ATOM 681 CB ASN A 102 109.073 122.468 94.258 1.00 64.49 C +ATOM 682 CG ASN A 102 108.411 123.132 93.093 1.00 93.57 C +ATOM 683 OD1 ASN A 102 107.250 122.835 92.777 1.00 87.22 O +ATOM 684 ND2 ASN A 102 109.142 124.033 92.428 1.00 73.55 N +ATOM 685 N ASN A 103 110.434 119.100 93.773 1.00 53.69 N +ATOM 686 CA ASN A 103 111.342 118.282 92.993 1.00 53.94 C +ATOM 687 C ASN A 103 110.537 117.467 91.994 1.00 58.57 C +ATOM 688 O ASN A 103 109.425 117.037 92.306 1.00 48.91 O +ATOM 689 CB ASN A 103 112.110 117.318 93.900 1.00 47.08 C +ATOM 690 CG ASN A 103 112.905 118.029 94.973 1.00 45.70 C +ATOM 691 OD1 ASN A 103 113.324 119.172 94.803 1.00 48.34 O +ATOM 692 ND2 ASN A 103 113.136 117.342 96.081 1.00 60.77 N +ATOM 693 N VAL A 104 111.104 117.259 90.803 1.00 55.58 N +ATOM 694 CA VAL A 104 110.514 116.350 89.822 1.00 44.02 C +ATOM 695 C VAL A 104 111.008 114.942 90.074 1.00 41.72 C +ATOM 696 O VAL A 104 112.183 114.637 89.906 1.00 39.01 O +ATOM 697 CB VAL A 104 110.806 116.768 88.367 1.00 49.78 C +ATOM 698 CG1 VAL A 104 109.934 115.987 87.416 1.00 44.84 C +ATOM 699 CG2 VAL A 104 110.596 118.273 88.177 1.00 46.64 C +ATOM 700 N VAL A 105 110.073 114.075 90.456 1.00 46.70 N +ATOM 701 CA VAL A 105 110.370 112.704 90.813 1.00 39.55 C +ATOM 702 C VAL A 105 109.805 111.769 89.755 1.00 51.66 C +ATOM 703 O VAL A 105 108.733 112.020 89.195 1.00 53.58 O +ATOM 704 CB VAL A 105 109.726 112.359 92.193 1.00 50.67 C +ATOM 705 CG1 VAL A 105 110.202 111.018 92.685 1.00 53.37 C +ATOM 706 CG2 VAL A 105 110.082 113.431 93.227 1.00 56.45 C +ATOM 707 N TYR A 106 110.517 110.678 89.496 1.00 51.08 N +ATOM 708 CA TYR A 106 110.034 109.655 88.596 1.00 50.02 C +ATOM 709 C TYR A 106 110.217 108.345 89.308 1.00 58.57 C +ATOM 710 O TYR A 106 111.337 107.830 89.374 1.00 59.68 O +ATOM 711 CB TYR A 106 110.831 109.653 87.285 1.00 52.00 C +ATOM 712 CG TYR A 106 110.290 108.582 86.289 1.00 47.97 C +ATOM 713 CD1 TYR A 106 108.909 108.233 86.190 1.00 43.34 C +ATOM 714 CD2 TYR A 106 111.198 108.035 85.356 1.00 47.75 C +ATOM 715 CE1 TYR A 106 108.392 107.290 85.265 1.00 40.44 C +ATOM 716 CE2 TYR A 106 110.653 106.928 84.412 1.00 86.78 C +ATOM 717 CZ TYR A 106 109.222 106.618 84.407 1.00 56.69 C +ATOM 718 OH TYR A 106 108.668 105.737 83.482 1.00 71.53 O +ATOM 719 N LYS A 107 109.117 107.805 89.833 1.00 54.22 N +ATOM 720 CA LYS A 107 109.166 106.666 90.744 1.00 62.20 C +ATOM 721 C LYS A 107 108.467 105.409 90.211 1.00 62.85 C +ATOM 722 O LYS A 107 107.373 105.464 89.623 1.00 51.00 O +ATOM 723 CB LYS A 107 108.585 107.044 92.111 1.00 58.49 C +ATOM 724 CG LYS A 107 109.093 106.170 93.262 1.00 75.18 C +ATOM 725 CD LYS A 107 108.401 106.495 94.600 1.00 73.02 C +ATOM 726 CE LYS A 107 108.184 105.228 95.464 1.00 90.58 C +ATOM 727 NZ LYS A 107 109.361 104.288 95.486 1.00 70.58 N +ATOM 728 N GLN A 108 109.132 104.279 90.394 1.00 51.11 N +ATOM 729 CA GLN A 108 108.565 103.012 89.995 1.00 59.51 C +ATOM 730 C GLN A 108 107.714 102.421 91.115 1.00 57.10 C +ATOM 731 O GLN A 108 108.115 102.381 92.279 1.00 58.25 O +ATOM 732 CB GLN A 108 109.649 102.030 89.605 1.00 61.90 C +ATOM 733 CG GLN A 108 109.134 100.939 88.714 1.00 68.42 C +ATOM 734 CD GLN A 108 110.228 100.031 88.239 1.00 65.54 C +ATOM 735 OE1 GLN A 108 110.716 99.192 88.996 1.00 70.23 O +ATOM 736 NE2 GLN A 108 110.617 100.185 86.983 1.00 64.36 N +ATOM 737 N TYR A 109 106.525 101.981 90.743 1.00 54.30 N +ATOM 738 CA TYR A 109 105.648 101.286 91.666 1.00 53.25 C +ATOM 739 C TYR A 109 105.491 99.864 91.184 1.00 49.56 C +ATOM 740 O TYR A 109 105.131 99.641 90.030 1.00 54.66 O +ATOM 741 CB TYR A 109 104.292 101.992 91.718 1.00 55.41 C +ATOM 742 CG TYR A 109 104.420 103.350 92.341 1.00 53.30 C +ATOM 743 CD1 TYR A 109 104.725 104.457 91.557 1.00 61.97 C +ATOM 744 CD2 TYR A 109 104.318 103.522 93.710 1.00 56.14 C +ATOM 745 CE1 TYR A 109 104.889 105.708 92.116 1.00 61.47 C +ATOM 746 CE2 TYR A 109 104.482 104.770 94.286 1.00 58.07 C +ATOM 747 CZ TYR A 109 104.759 105.857 93.479 1.00 55.02 C +ATOM 748 OH TYR A 109 104.927 107.100 94.034 1.00 69.56 O +ATOM 749 N GLU A 110 105.762 98.902 92.068 1.00 57.42 N +ATOM 750 CA GLU A 110 105.620 97.489 91.721 1.00 55.96 C +ATOM 751 C GLU A 110 104.151 97.052 91.668 1.00 55.99 C +ATOM 752 O GLU A 110 103.286 97.695 92.277 1.00 59.93 O +ATOM 753 CB GLU A 110 106.377 96.619 92.727 1.00 52.84 C +ATOM 754 CG GLU A 110 107.825 97.042 92.946 1.00 64.91 C +ATOM 755 CD GLU A 110 108.654 96.971 91.675 1.00 68.58 C +ATOM 756 OE1 GLU A 110 108.672 95.898 91.029 1.00 73.84 O +ATOM 757 OE2 GLU A 110 109.283 97.995 91.319 1.00 74.79 O +ATOM 758 N ASP A 111 103.885 95.970 90.932 1.00 51.18 N +ATOM 759 CA ASP A 111 102.604 95.262 90.950 1.00 53.61 C +ATOM 760 C ASP A 111 101.442 96.127 90.533 1.00 58.99 C +ATOM 761 O ASP A 111 100.421 96.149 91.215 1.00 55.84 O +ATOM 762 CB ASP A 111 102.306 94.698 92.348 1.00 62.05 C +ATOM 763 CG ASP A 111 103.423 93.813 92.859 1.00 70.68 C +ATOM 764 OD1 ASP A 111 103.948 93.013 92.054 1.00 61.62 O +ATOM 765 OD2 ASP A 111 103.857 93.877 94.026 1.00 67.17 O +ATOM 766 N MET A 112 101.587 96.812 89.407 1.00 56.59 N +ATOM 767 CA MET A 112 100.567 97.730 88.957 1.00 54.51 C +ATOM 768 C MET A 112 99.738 97.203 87.798 1.00 49.82 C +ATOM 769 O MET A 112 98.576 97.563 87.662 1.00 55.76 O +ATOM 770 CB MET A 112 101.216 99.074 88.582 1.00 61.22 C +ATOM 771 CG MET A 112 101.816 99.816 89.777 1.00 47.81 C +ATOM 772 SD MET A 112 100.582 100.451 90.901 1.00 59.05 S +ATOM 773 CE MET A 112 100.162 102.012 90.093 1.00 58.66 C +ATOM 774 N VAL A 113 100.338 96.361 86.966 1.00 47.65 N +ATOM 775 CA VAL A 113 99.695 95.910 85.734 1.00 52.80 C +ATOM 776 C VAL A 113 99.656 94.386 85.757 1.00 62.59 C +ATOM 777 O VAL A 113 100.678 93.743 85.995 1.00 56.72 O +ATOM 778 CB VAL A 113 100.480 96.388 84.478 1.00 54.99 C +ATOM 779 CG1 VAL A 113 99.829 95.913 83.189 1.00 46.22 C +ATOM 780 CG2 VAL A 113 100.576 97.894 84.451 1.00 51.42 C +ATOM 781 N VAL A 114 98.478 93.814 85.536 1.00 55.02 N +ATOM 782 CA VAL A 114 98.344 92.375 85.449 1.00 54.13 C +ATOM 783 C VAL A 114 98.929 91.890 84.128 1.00 53.75 C +ATOM 784 O VAL A 114 98.506 92.345 83.063 1.00 58.37 O +ATOM 785 CB VAL A 114 96.871 91.942 85.558 1.00 63.53 C +ATOM 786 CG1 VAL A 114 96.721 90.431 85.304 1.00 60.37 C +ATOM 787 CG2 VAL A 114 96.323 92.316 86.914 1.00 50.36 C +ATOM 788 N GLU A 115 99.916 90.992 84.188 1.00 51.55 N +ATOM 789 CA GLU A 115 100.455 90.412 82.947 1.00 58.65 C +ATOM 790 C GLU A 115 99.885 89.040 82.634 1.00 57.65 C +ATOM 791 O GLU A 115 99.776 88.675 81.469 1.00 69.45 O +ATOM 792 CB GLU A 115 101.984 90.379 82.938 1.00 56.88 C +ATOM 793 CG GLU A 115 102.658 91.734 83.143 1.00 72.61 C +ATOM 794 CD GLU A 115 102.635 92.675 81.925 1.00 78.54 C +ATOM 795 OE1 GLU A 115 101.966 92.396 80.906 1.00 72.04 O +ATOM 796 OE2 GLU A 115 103.301 93.733 81.990 1.00 73.29 O +ATOM 797 N SER A 116 99.526 88.278 83.663 1.00 55.72 N +ATOM 798 CA SER A 116 98.899 86.977 83.459 1.00 57.91 C +ATOM 799 C SER A 116 97.949 86.622 84.598 1.00 50.20 C +ATOM 800 O SER A 116 98.148 87.046 85.731 1.00 57.24 O +ATOM 801 CB SER A 116 99.952 85.863 83.258 1.00 59.52 C +ATOM 802 OG SER A 116 100.650 85.601 84.466 1.00 64.44 O +ATOM 803 N CYS A 117 96.910 85.859 84.252 1.00 59.03 N +ATOM 804 CA CYS A 117 95.878 85.400 85.175 1.00 56.44 C +ATOM 805 C CYS A 117 96.023 83.897 85.421 1.00 63.61 C +ATOM 806 O CYS A 117 96.603 83.163 84.612 1.00 59.81 O +ATOM 807 CB CYS A 117 94.474 85.729 84.626 1.00 53.65 C +ATOM 808 SG CYS A 117 94.067 87.517 84.714 1.00 76.83 S +ATOM 809 N GLY A 118 95.517 83.436 86.553 1.00 56.22 N +ATOM 810 CA GLY A 118 95.597 82.027 86.865 1.00 58.67 C +ATOM 811 C GLY A 118 94.617 81.673 87.951 1.00 58.91 C +ATOM 812 O GLY A 118 94.077 82.549 88.623 1.00 54.53 O +ATOM 813 N CYS A 119 94.399 80.379 88.116 1.00 54.07 N +ATOM 814 CA CYS A 119 93.459 79.862 89.094 1.00 64.76 C +ATOM 815 C CYS A 119 94.253 79.485 90.327 1.00 54.82 C +ATOM 816 O CYS A 119 95.243 78.751 90.225 1.00 66.27 O +ATOM 817 CB CYS A 119 92.702 78.654 88.504 1.00 58.96 C +ATOM 818 SG CYS A 119 91.365 79.233 87.399 1.00 68.25 S +ATOM 819 N ARG A 120 93.855 80.016 91.479 1.00 58.10 N +ATOM 820 CA ARG A 120 94.612 79.832 92.715 1.00 57.02 C +ATOM 821 C ARG A 120 93.758 79.531 93.946 1.00 68.39 C +ATOM 822 O ARG A 120 94.261 78.795 94.815 1.00 67.47 O +ATOM 823 CB ARG A 120 95.521 81.032 93.005 1.00 55.09 C +ATOM 824 CG ARG A 120 96.635 81.286 91.965 1.00 59.51 C +ATOM 825 CD ARG A 120 97.796 80.315 92.100 1.00 72.03 C +ATOM 826 NE ARG A 120 98.961 80.555 91.244 1.00 61.97 N +ATOM 827 CZ ARG A 120 99.062 80.123 89.991 1.00 72.64 C +ATOM 828 NH1 ARG A 120 98.045 79.484 89.421 1.00 71.46 N +ATOM 829 NH2 ARG A 120 100.171 80.334 89.294 1.00 63.33 N +ATOM 830 OXT ARG A 120 92.619 80.014 94.121 1.00 67.98 O Added: SwiftApps/modFTdock/input/1wgl-1.pdb =================================================================== --- SwiftApps/modFTdock/input/1wgl-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/1wgl-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,828 @@ +ATOM 1 N GLY A 1 -19.856 -0.820 8.533 1.00 0.00 N +ATOM 2 CA GLY A 1 -19.288 -2.127 8.252 1.00 0.00 C +ATOM 3 C GLY A 1 -18.089 -2.013 7.308 1.00 0.00 C +ATOM 4 O GLY A 1 -18.136 -1.275 6.325 1.00 0.00 O +ATOM 5 H1 GLY A 1 -19.381 -0.052 8.104 1.00 0.00 H +ATOM 6 HA2 GLY A 1 -18.978 -2.601 9.183 1.00 0.00 H +ATOM 7 HA3 GLY A 1 -20.047 -2.770 7.805 1.00 0.00 H +ATOM 8 N SER A 2 -17.042 -2.755 7.640 1.00 0.00 N +ATOM 9 CA SER A 2 -15.833 -2.746 6.835 1.00 0.00 C +ATOM 10 C SER A 2 -15.296 -1.318 6.712 1.00 0.00 C +ATOM 11 O SER A 2 -15.539 -0.644 5.713 1.00 0.00 O +ATOM 12 CB SER A 2 -16.091 -3.336 5.447 1.00 0.00 C +ATOM 13 OG SER A 2 -15.040 -3.034 4.534 1.00 0.00 O +ATOM 14 H SER A 2 -17.012 -3.352 8.442 1.00 0.00 H +ATOM 15 HA SER A 2 -15.124 -3.376 7.371 1.00 0.00 H +ATOM 16 HB2 SER A 2 -16.201 -4.418 5.528 1.00 0.00 H +ATOM 17 HB3 SER A 2 -17.033 -2.949 5.058 1.00 0.00 H +ATOM 18 HG SER A 2 -15.260 -3.394 3.628 1.00 0.00 H +ATOM 19 N SER A 3 -14.577 -0.900 7.744 1.00 0.00 N +ATOM 20 CA SER A 3 -14.004 0.435 7.764 1.00 0.00 C +ATOM 21 C SER A 3 -12.584 0.387 8.331 1.00 0.00 C +ATOM 22 O SER A 3 -11.634 0.802 7.670 1.00 0.00 O +ATOM 23 CB SER A 3 -14.871 1.394 8.584 1.00 0.00 C +ATOM 24 OG SER A 3 -14.856 2.715 8.050 1.00 0.00 O +ATOM 25 H SER A 3 -14.385 -1.455 8.553 1.00 0.00 H +ATOM 26 HA SER A 3 -13.990 0.759 6.723 1.00 0.00 H +ATOM 27 HB2 SER A 3 -15.896 1.025 8.609 1.00 0.00 H +ATOM 28 HB3 SER A 3 -14.514 1.414 9.613 1.00 0.00 H +ATOM 29 HG SER A 3 -15.550 3.275 8.503 1.00 0.00 H +ATOM 30 N GLY A 4 -12.485 -0.124 9.550 1.00 0.00 N +ATOM 31 CA GLY A 4 -11.197 -0.232 10.213 1.00 0.00 C +ATOM 32 C GLY A 4 -11.256 -1.239 11.364 1.00 0.00 C +ATOM 33 O GLY A 4 -11.600 -0.881 12.489 1.00 0.00 O +ATOM 34 H GLY A 4 -13.263 -0.459 10.081 1.00 0.00 H +ATOM 35 HA2 GLY A 4 -10.438 -0.541 9.494 1.00 0.00 H +ATOM 36 HA3 GLY A 4 -10.897 0.744 10.594 1.00 0.00 H +ATOM 37 N SER A 5 -10.914 -2.478 11.042 1.00 0.00 N +ATOM 38 CA SER A 5 -10.924 -3.539 12.035 1.00 0.00 C +ATOM 39 C SER A 5 -10.250 -3.058 13.321 1.00 0.00 C +ATOM 40 O SER A 5 -10.891 -2.973 14.368 1.00 0.00 O +ATOM 41 CB SER A 5 -10.225 -4.793 11.507 1.00 0.00 C +ATOM 42 OG SER A 5 -10.475 -5.930 12.330 1.00 0.00 O +ATOM 43 H SER A 5 -10.635 -2.760 10.124 1.00 0.00 H +ATOM 44 HA SER A 5 -11.977 -3.758 12.213 1.00 0.00 H +ATOM 45 HB2 SER A 5 -10.566 -4.999 10.492 1.00 0.00 H +ATOM 46 HB3 SER A 5 -9.151 -4.615 11.452 1.00 0.00 H +ATOM 47 HG SER A 5 -9.661 -6.149 12.867 1.00 0.00 H +ATOM 48 N SER A 6 -8.965 -2.755 13.201 1.00 0.00 N +ATOM 49 CA SER A 6 -8.198 -2.285 14.342 1.00 0.00 C +ATOM 50 C SER A 6 -6.828 -1.783 13.879 1.00 0.00 C +ATOM 51 O SER A 6 -5.878 -2.558 13.787 1.00 0.00 O +ATOM 52 CB SER A 6 -8.033 -3.389 15.388 1.00 0.00 C +ATOM 53 OG SER A 6 -8.110 -2.881 16.717 1.00 0.00 O +ATOM 54 H SER A 6 -8.452 -2.827 12.346 1.00 0.00 H +ATOM 55 HA SER A 6 -8.782 -1.468 14.765 1.00 0.00 H +ATOM 56 HB2 SER A 6 -8.806 -4.144 15.243 1.00 0.00 H +ATOM 57 HB3 SER A 6 -7.073 -3.884 15.244 1.00 0.00 H +ATOM 58 HG SER A 6 -8.088 -3.635 17.373 1.00 0.00 H +ATOM 59 N GLY A 7 -6.771 -0.489 13.602 1.00 0.00 N +ATOM 60 CA GLY A 7 -5.533 0.126 13.151 1.00 0.00 C +ATOM 61 C GLY A 7 -4.876 -0.709 12.050 1.00 0.00 C +ATOM 62 O GLY A 7 -5.559 -1.231 11.171 1.00 0.00 O +ATOM 63 H GLY A 7 -7.548 0.135 13.680 1.00 0.00 H +ATOM 64 HA2 GLY A 7 -5.736 1.130 12.780 1.00 0.00 H +ATOM 65 HA3 GLY A 7 -4.848 0.230 13.992 1.00 0.00 H +ATOM 66 N CYS A 8 -3.557 -0.807 12.134 1.00 0.00 N +ATOM 67 CA CYS A 8 -2.800 -1.569 11.156 1.00 0.00 C +ATOM 68 C CYS A 8 -3.457 -2.942 11.003 1.00 0.00 C +ATOM 69 O CYS A 8 -4.321 -3.313 11.796 1.00 0.00 O +ATOM 70 CB CYS A 8 -1.325 -1.683 11.546 1.00 0.00 C +ATOM 71 SG CYS A 8 -1.172 -2.451 13.200 1.00 0.00 S +ATOM 72 H CYS A 8 -3.009 -0.379 12.853 1.00 0.00 H +ATOM 73 HA CYS A 8 -2.846 -1.011 10.221 1.00 0.00 H +ATOM 74 HB2 CYS A 8 -0.790 -2.280 10.808 1.00 0.00 H +ATOM 75 HB3 CYS A 8 -0.864 -0.695 11.551 1.00 0.00 H +ATOM 76 HG CYS A 8 -0.286 -3.376 12.842 1.00 0.00 H +ATOM 77 N SER A 9 -3.023 -3.660 9.978 1.00 0.00 N +ATOM 78 CA SER A 9 -3.558 -4.984 9.711 1.00 0.00 C +ATOM 79 C SER A 9 -2.609 -5.757 8.792 1.00 0.00 C +ATOM 80 O SER A 9 -1.866 -5.158 8.016 1.00 0.00 O +ATOM 81 CB SER A 9 -4.951 -4.899 9.084 1.00 0.00 C +ATOM 82 OG SER A 9 -5.982 -5.125 10.041 1.00 0.00 O +ATOM 83 H SER A 9 -2.319 -3.351 9.337 1.00 0.00 H +ATOM 84 HA SER A 9 -3.627 -5.469 10.684 1.00 0.00 H +ATOM 85 HB2 SER A 9 -5.086 -3.916 8.632 1.00 0.00 H +ATOM 86 HB3 SER A 9 -5.033 -5.632 8.282 1.00 0.00 H +ATOM 87 HG SER A 9 -5.624 -5.655 10.811 1.00 0.00 H +ATOM 88 N GLU A 10 -2.665 -7.075 8.911 1.00 0.00 N +ATOM 89 CA GLU A 10 -1.820 -7.936 8.101 1.00 0.00 C +ATOM 90 C GLU A 10 -2.520 -8.281 6.785 1.00 0.00 C +ATOM 91 O GLU A 10 -1.864 -8.597 5.793 1.00 0.00 O +ATOM 92 CB GLU A 10 -1.434 -9.203 8.866 1.00 0.00 C +ATOM 93 CG GLU A 10 -0.132 -9.000 9.642 1.00 0.00 C +ATOM 94 CD GLU A 10 -0.412 -8.525 11.070 1.00 0.00 C +ATOM 95 OE1 GLU A 10 -1.323 -7.682 11.218 1.00 0.00 O +ATOM 96 OE2 GLU A 10 0.291 -9.016 11.979 1.00 0.00 O +ATOM 97 H GLU A 10 -3.272 -7.554 9.545 1.00 0.00 H +ATOM 98 HA GLU A 10 -0.921 -7.353 7.900 1.00 0.00 H +ATOM 99 HB2 GLU A 10 -2.234 -9.474 9.555 1.00 0.00 H +ATOM 100 HB3 GLU A 10 -1.321 -10.033 8.169 1.00 0.00 H +ATOM 101 HG2 GLU A 10 0.429 -9.935 9.670 1.00 0.00 H +ATOM 102 HG3 GLU A 10 0.492 -8.270 9.128 1.00 0.00 H +ATOM 103 N GLU A 11 -3.842 -8.209 6.819 1.00 0.00 N +ATOM 104 CA GLU A 11 -4.639 -8.510 5.641 1.00 0.00 C +ATOM 105 C GLU A 11 -4.528 -7.375 4.621 1.00 0.00 C +ATOM 106 O GLU A 11 -4.009 -7.572 3.523 1.00 0.00 O +ATOM 107 CB GLU A 11 -6.099 -8.768 6.018 1.00 0.00 C +ATOM 108 CG GLU A 11 -6.400 -10.267 6.054 1.00 0.00 C +ATOM 109 CD GLU A 11 -7.884 -10.523 6.323 1.00 0.00 C +ATOM 110 OE1 GLU A 11 -8.469 -9.720 7.082 1.00 0.00 O +ATOM 111 OE2 GLU A 11 -8.400 -11.514 5.764 1.00 0.00 O +ATOM 112 H GLU A 11 -4.368 -7.951 7.630 1.00 0.00 H +ATOM 113 HA GLU A 11 -4.210 -9.423 5.228 1.00 0.00 H +ATOM 114 HB2 GLU A 11 -6.310 -8.328 6.993 1.00 0.00 H +ATOM 115 HB3 GLU A 11 -6.756 -8.279 5.299 1.00 0.00 H +ATOM 116 HG2 GLU A 11 -6.115 -10.722 5.105 1.00 0.00 H +ATOM 117 HG3 GLU A 11 -5.799 -10.744 6.828 1.00 0.00 H +ATOM 118 N ASP A 12 -5.023 -6.213 5.020 1.00 0.00 N +ATOM 119 CA ASP A 12 -4.986 -5.047 4.154 1.00 0.00 C +ATOM 120 C ASP A 12 -3.578 -4.890 3.577 1.00 0.00 C +ATOM 121 O ASP A 12 -3.416 -4.523 2.414 1.00 0.00 O +ATOM 122 CB ASP A 12 -5.324 -3.773 4.931 1.00 0.00 C +ATOM 123 CG ASP A 12 -6.789 -3.339 4.855 1.00 0.00 C +ATOM 124 OD1 ASP A 12 -7.553 -4.039 4.156 1.00 0.00 O +ATOM 125 OD2 ASP A 12 -7.112 -2.317 5.498 1.00 0.00 O +ATOM 126 H ASP A 12 -5.444 -6.062 5.914 1.00 0.00 H +ATOM 127 HA ASP A 12 -5.733 -5.239 3.383 1.00 0.00 H +ATOM 128 HB2 ASP A 12 -5.058 -3.923 5.977 1.00 0.00 H +ATOM 129 HB3 ASP A 12 -4.700 -2.961 4.557 1.00 0.00 H +ATOM 130 N LEU A 13 -2.594 -5.175 4.418 1.00 0.00 N +ATOM 131 CA LEU A 13 -1.204 -5.070 4.006 1.00 0.00 C +ATOM 132 C LEU A 13 -0.958 -5.998 2.815 1.00 0.00 C +ATOM 133 O LEU A 13 -0.769 -5.536 1.692 1.00 0.00 O +ATOM 134 CB LEU A 13 -0.273 -5.330 5.192 1.00 0.00 C +ATOM 135 CG LEU A 13 0.667 -4.184 5.571 1.00 0.00 C +ATOM 136 CD1 LEU A 13 1.304 -4.427 6.940 1.00 0.00 C +ATOM 137 CD2 LEU A 13 1.717 -3.953 4.483 1.00 0.00 C +ATOM 138 H LEU A 13 -2.734 -5.472 5.362 1.00 0.00 H +ATOM 139 HA LEU A 13 -1.036 -4.042 3.684 1.00 0.00 H +ATOM 140 HB2 LEU A 13 -0.884 -5.575 6.061 1.00 0.00 H +ATOM 141 HB3 LEU A 13 0.331 -6.210 4.968 1.00 0.00 H +ATOM 142 HG LEU A 13 0.077 -3.270 5.649 1.00 0.00 H +ATOM 143 HD11 LEU A 13 0.574 -4.220 7.723 1.00 0.00 H +ATOM 144 HD12 LEU A 13 1.627 -5.466 7.011 1.00 0.00 H +ATOM 145 HD13 LEU A 13 2.165 -3.770 7.063 1.00 0.00 H +ATOM 146 HD21 LEU A 13 2.504 -4.702 4.573 1.00 0.00 H +ATOM 147 HD22 LEU A 13 1.248 -4.035 3.502 1.00 0.00 H +ATOM 148 HD23 LEU A 13 2.147 -2.958 4.598 1.00 0.00 H +ATOM 149 N LYS A 14 -0.968 -7.292 3.103 1.00 0.00 N +ATOM 150 CA LYS A 14 -0.748 -8.289 2.069 1.00 0.00 C +ATOM 151 C LYS A 14 -1.460 -7.855 0.787 1.00 0.00 C +ATOM 152 O LYS A 14 -0.916 -7.993 -0.307 1.00 0.00 O +ATOM 153 CB LYS A 14 -1.164 -9.675 2.565 1.00 0.00 C +ATOM 154 CG LYS A 14 -0.254 -10.761 1.988 1.00 0.00 C +ATOM 155 CD LYS A 14 -0.619 -11.066 0.534 1.00 0.00 C +ATOM 156 CE LYS A 14 0.628 -11.405 -0.285 1.00 0.00 C +ATOM 157 NZ LYS A 14 1.196 -12.701 0.147 1.00 0.00 N +ATOM 158 H LYS A 14 -1.122 -7.660 4.019 1.00 0.00 H +ATOM 159 HA LYS A 14 0.324 -8.326 1.874 1.00 0.00 H +ATOM 160 HB2 LYS A 14 -1.124 -9.704 3.654 1.00 0.00 H +ATOM 161 HB3 LYS A 14 -2.198 -9.872 2.280 1.00 0.00 H +ATOM 162 HG2 LYS A 14 0.785 -10.438 2.045 1.00 0.00 H +ATOM 163 HG3 LYS A 14 -0.339 -11.668 2.586 1.00 0.00 H +ATOM 164 HD2 LYS A 14 -1.319 -11.901 0.498 1.00 0.00 H +ATOM 165 HD3 LYS A 14 -1.125 -10.207 0.094 1.00 0.00 H +ATOM 166 HE2 LYS A 14 0.374 -11.448 -1.344 1.00 0.00 H +ATOM 167 HE3 LYS A 14 1.372 -10.617 -0.167 1.00 0.00 H +ATOM 168 HZ1 LYS A 14 1.168 -13.348 -0.614 1.00 0.00 H +ATOM 169 HZ2 LYS A 14 2.144 -12.569 0.438 1.00 0.00 H +ATOM 170 HZ3 LYS A 14 0.661 -13.061 0.911 1.00 0.00 H +ATOM 171 N ALA A 15 -2.668 -7.340 0.965 1.00 0.00 N +ATOM 172 CA ALA A 15 -3.461 -6.885 -0.165 1.00 0.00 C +ATOM 173 C ALA A 15 -2.616 -5.948 -1.030 1.00 0.00 C +ATOM 174 O ALA A 15 -2.507 -6.144 -2.240 1.00 0.00 O +ATOM 175 CB ALA A 15 -4.738 -6.214 0.345 1.00 0.00 C +ATOM 176 H ALA A 15 -3.104 -7.231 1.858 1.00 0.00 H +ATOM 177 HA ALA A 15 -3.735 -7.761 -0.752 1.00 0.00 H +ATOM 178 HB1 ALA A 15 -4.711 -6.160 1.434 1.00 0.00 H +ATOM 179 HB2 ALA A 15 -4.810 -5.208 -0.067 1.00 0.00 H +ATOM 180 HB3 ALA A 15 -5.604 -6.797 0.032 1.00 0.00 H +ATOM 181 N ILE A 16 -2.041 -4.949 -0.377 1.00 0.00 N +ATOM 182 CA ILE A 16 -1.209 -3.981 -1.073 1.00 0.00 C +ATOM 183 C ILE A 16 -0.035 -4.705 -1.734 1.00 0.00 C +ATOM 184 O ILE A 16 0.214 -4.532 -2.926 1.00 0.00 O +ATOM 185 CB ILE A 16 -0.784 -2.859 -0.123 1.00 0.00 C +ATOM 186 CG1 ILE A 16 -2.003 -2.189 0.514 1.00 0.00 C +ATOM 187 CG2 ILE A 16 0.119 -1.850 -0.835 1.00 0.00 C +ATOM 188 CD1 ILE A 16 -1.590 -1.311 1.697 1.00 0.00 C +ATOM 189 H ILE A 16 -2.134 -4.796 0.606 1.00 0.00 H +ATOM 190 HA ILE A 16 -1.819 -3.528 -1.854 1.00 0.00 H +ATOM 191 HB ILE A 16 -0.200 -3.300 0.685 1.00 0.00 H +ATOM 192 HG12 ILE A 16 -2.519 -1.583 -0.230 1.00 0.00 H +ATOM 193 HG13 ILE A 16 -2.707 -2.950 0.850 1.00 0.00 H +ATOM 194 HG21 ILE A 16 -0.460 -1.311 -1.585 1.00 0.00 H +ATOM 195 HG22 ILE A 16 0.519 -1.144 -0.108 1.00 0.00 H +ATOM 196 HG23 ILE A 16 0.940 -2.377 -1.320 1.00 0.00 H +ATOM 197 HD11 ILE A 16 -1.155 -0.383 1.326 1.00 0.00 H +ATOM 198 HD12 ILE A 16 -2.466 -1.084 2.305 1.00 0.00 H +ATOM 199 HD13 ILE A 16 -0.855 -1.840 2.303 1.00 0.00 H +ATOM 200 N GLN A 17 0.656 -5.501 -0.930 1.00 0.00 N +ATOM 201 CA GLN A 17 1.798 -6.252 -1.422 1.00 0.00 C +ATOM 202 C GLN A 17 1.505 -6.812 -2.816 1.00 0.00 C +ATOM 203 O GLN A 17 2.285 -6.614 -3.745 1.00 0.00 O +ATOM 204 CB GLN A 17 2.178 -7.371 -0.451 1.00 0.00 C +ATOM 205 CG GLN A 17 3.608 -7.189 0.063 1.00 0.00 C +ATOM 206 CD GLN A 17 4.579 -8.108 -0.681 1.00 0.00 C +ATOM 207 OE1 GLN A 17 4.677 -9.295 -0.417 1.00 0.00 O +ATOM 208 NE2 GLN A 17 5.290 -7.495 -1.624 1.00 0.00 N +ATOM 209 H GLN A 17 0.447 -5.636 0.038 1.00 0.00 H +ATOM 210 HA GLN A 17 2.616 -5.534 -1.477 1.00 0.00 H +ATOM 211 HB2 GLN A 17 1.485 -7.379 0.390 1.00 0.00 H +ATOM 212 HB3 GLN A 17 2.087 -8.337 -0.948 1.00 0.00 H +ATOM 213 HG2 GLN A 17 3.915 -6.151 -0.065 1.00 0.00 H +ATOM 214 HG3 GLN A 17 3.645 -7.404 1.131 1.00 0.00 H +ATOM 215 HE21 GLN A 17 5.161 -6.517 -1.790 1.00 0.00 H +ATOM 216 HE22 GLN A 17 5.953 -8.012 -2.166 1.00 0.00 H +ATOM 217 N ASP A 18 0.377 -7.501 -2.916 1.00 0.00 N +ATOM 218 CA ASP A 18 -0.029 -8.091 -4.181 1.00 0.00 C +ATOM 219 C ASP A 18 -0.012 -7.016 -5.269 1.00 0.00 C +ATOM 220 O ASP A 18 0.528 -7.233 -6.353 1.00 0.00 O +ATOM 221 CB ASP A 18 -1.449 -8.655 -4.095 1.00 0.00 C +ATOM 222 CG ASP A 18 -1.702 -9.902 -4.943 1.00 0.00 C +ATOM 223 OD1 ASP A 18 -0.796 -10.244 -5.734 1.00 0.00 O +ATOM 224 OD2 ASP A 18 -2.795 -10.486 -4.782 1.00 0.00 O +ATOM 225 H ASP A 18 -0.252 -7.658 -2.155 1.00 0.00 H +ATOM 226 HA ASP A 18 0.691 -8.887 -4.369 1.00 0.00 H +ATOM 227 HB2 ASP A 18 -1.667 -8.891 -3.053 1.00 0.00 H +ATOM 228 HB3 ASP A 18 -2.151 -7.878 -4.399 1.00 0.00 H +ATOM 229 N MET A 19 -0.610 -5.879 -4.943 1.00 0.00 N +ATOM 230 CA MET A 19 -0.670 -4.770 -5.879 1.00 0.00 C +ATOM 231 C MET A 19 0.729 -4.230 -6.180 1.00 0.00 C +ATOM 232 O MET A 19 1.052 -3.936 -7.330 1.00 0.00 O +ATOM 233 CB MET A 19 -1.534 -3.652 -5.292 1.00 0.00 C +ATOM 234 CG MET A 19 -3.021 -3.927 -5.529 1.00 0.00 C +ATOM 235 SD MET A 19 -3.592 -3.009 -6.949 1.00 0.00 S +ATOM 236 CE MET A 19 -3.525 -1.350 -6.294 1.00 0.00 C +ATOM 237 H MET A 19 -1.046 -5.711 -4.059 1.00 0.00 H +ATOM 238 HA MET A 19 -1.113 -5.178 -6.788 1.00 0.00 H +ATOM 239 HB2 MET A 19 -1.343 -3.564 -4.223 1.00 0.00 H +ATOM 240 HB3 MET A 19 -1.260 -2.700 -5.745 1.00 0.00 H +ATOM 241 HG2 MET A 19 -3.182 -4.993 -5.686 1.00 0.00 H +ATOM 242 HG3 MET A 19 -3.596 -3.644 -4.647 1.00 0.00 H +ATOM 243 HE1 MET A 19 -3.178 -1.381 -5.261 1.00 0.00 H +ATOM 244 HE2 MET A 19 -2.836 -0.751 -6.890 1.00 0.00 H +ATOM 245 HE3 MET A 19 -4.519 -0.904 -6.330 1.00 0.00 H +ATOM 246 N PHE A 20 1.523 -4.114 -5.126 1.00 0.00 N +ATOM 247 CA PHE A 20 2.881 -3.614 -5.262 1.00 0.00 C +ATOM 248 C PHE A 20 3.888 -4.584 -4.641 1.00 0.00 C +ATOM 249 O PHE A 20 4.399 -4.339 -3.550 1.00 0.00 O +ATOM 250 CB PHE A 20 2.944 -2.282 -4.512 1.00 0.00 C +ATOM 251 CG PHE A 20 1.863 -1.282 -4.926 1.00 0.00 C +ATOM 252 CD1 PHE A 20 1.830 -0.804 -6.199 1.00 0.00 C +ATOM 253 CD2 PHE A 20 0.934 -0.872 -4.021 1.00 0.00 C +ATOM 254 CE1 PHE A 20 0.826 0.124 -6.583 1.00 0.00 C +ATOM 255 CE2 PHE A 20 -0.070 0.056 -4.405 1.00 0.00 C +ATOM 256 CZ PHE A 20 -0.103 0.534 -5.678 1.00 0.00 C +ATOM 257 H PHE A 20 1.254 -4.355 -4.193 1.00 0.00 H +ATOM 258 HA PHE A 20 3.084 -3.516 -6.329 1.00 0.00 H +ATOM 259 HB2 PHE A 20 2.857 -2.474 -3.443 1.00 0.00 H +ATOM 260 HB3 PHE A 20 3.923 -1.831 -4.675 1.00 0.00 H +ATOM 261 HD1 PHE A 20 2.574 -1.133 -6.924 1.00 0.00 H +ATOM 262 HD2 PHE A 20 0.960 -1.255 -3.001 1.00 0.00 H +ATOM 263 HE1 PHE A 20 0.800 0.507 -7.603 1.00 0.00 H +ATOM 264 HE2 PHE A 20 -0.814 0.386 -3.680 1.00 0.00 H +ATOM 265 HZ PHE A 20 -0.873 1.247 -5.973 1.00 0.00 H +ATOM 266 N PRO A 21 4.149 -5.694 -5.383 1.00 0.00 N +ATOM 267 CA PRO A 21 5.085 -6.702 -4.916 1.00 0.00 C +ATOM 268 C PRO A 21 6.530 -6.220 -5.066 1.00 0.00 C +ATOM 269 O PRO A 21 7.375 -6.509 -4.221 1.00 0.00 O +ATOM 270 CB PRO A 21 4.782 -7.937 -5.750 1.00 0.00 C +ATOM 271 CG PRO A 21 4.011 -7.441 -6.962 1.00 0.00 C +ATOM 272 CD PRO A 21 3.562 -6.017 -6.680 1.00 0.00 C +ATOM 273 HA PRO A 21 4.954 -6.873 -3.940 1.00 0.00 H +ATOM 274 HB2 PRO A 21 5.700 -8.441 -6.050 1.00 0.00 H +ATOM 275 HB3 PRO A 21 4.194 -8.657 -5.181 1.00 0.00 H +ATOM 276 HG2 PRO A 21 4.638 -7.474 -7.853 1.00 0.00 H +ATOM 277 HG3 PRO A 21 3.150 -8.082 -7.155 1.00 0.00 H +ATOM 278 HD2 PRO A 21 3.908 -5.332 -7.453 1.00 0.00 H +ATOM 279 HD3 PRO A 21 2.474 -5.943 -6.652 1.00 0.00 H +ATOM 280 N ASN A 22 6.768 -5.494 -6.148 1.00 0.00 N +ATOM 281 CA ASN A 22 8.095 -4.969 -6.420 1.00 0.00 C +ATOM 282 C ASN A 22 8.542 -4.091 -5.249 1.00 0.00 C +ATOM 283 O ASN A 22 9.682 -4.184 -4.798 1.00 0.00 O +ATOM 284 CB ASN A 22 8.099 -4.107 -7.684 1.00 0.00 C +ATOM 285 CG ASN A 22 6.918 -3.135 -7.688 1.00 0.00 C +ATOM 286 OD1 ASN A 22 7.002 -2.012 -7.217 1.00 0.00 O +ATOM 287 ND2 ASN A 22 5.815 -3.626 -8.245 1.00 0.00 N +ATOM 288 H ASN A 22 6.075 -5.263 -6.831 1.00 0.00 H +ATOM 289 HA ASN A 22 8.729 -5.846 -6.549 1.00 0.00 H +ATOM 290 HB2 ASN A 22 9.034 -3.550 -7.746 1.00 0.00 H +ATOM 291 HB3 ASN A 22 8.051 -4.747 -8.565 1.00 0.00 H +ATOM 292 HD21 ASN A 22 5.812 -4.556 -8.614 1.00 0.00 H +ATOM 293 HD22 ASN A 22 4.988 -3.066 -8.296 1.00 0.00 H +ATOM 294 N MET A 23 7.619 -3.259 -4.789 1.00 0.00 N +ATOM 295 CA MET A 23 7.903 -2.366 -3.679 1.00 0.00 C +ATOM 296 C MET A 23 8.508 -3.131 -2.500 1.00 0.00 C +ATOM 297 O MET A 23 8.616 -4.356 -2.540 1.00 0.00 O +ATOM 298 CB MET A 23 6.610 -1.679 -3.232 1.00 0.00 C +ATOM 299 CG MET A 23 6.181 -0.610 -4.239 1.00 0.00 C +ATOM 300 SD MET A 23 7.222 0.831 -4.080 1.00 0.00 S +ATOM 301 CE MET A 23 6.416 1.645 -2.711 1.00 0.00 C +ATOM 302 H MET A 23 6.693 -3.190 -5.161 1.00 0.00 H +ATOM 303 HA MET A 23 8.624 -1.644 -4.061 1.00 0.00 H +ATOM 304 HB2 MET A 23 5.819 -2.421 -3.124 1.00 0.00 H +ATOM 305 HB3 MET A 23 6.756 -1.224 -2.253 1.00 0.00 H +ATOM 306 HG2 MET A 23 6.247 -1.006 -5.253 1.00 0.00 H +ATOM 307 HG3 MET A 23 5.139 -0.338 -4.071 1.00 0.00 H +ATOM 308 HE1 MET A 23 5.484 1.129 -2.479 1.00 0.00 H +ATOM 309 HE2 MET A 23 7.070 1.623 -1.839 1.00 0.00 H +ATOM 310 HE3 MET A 23 6.201 2.680 -2.978 1.00 0.00 H +ATOM 311 N ASP A 24 8.886 -2.378 -1.478 1.00 0.00 N +ATOM 312 CA ASP A 24 9.477 -2.970 -0.290 1.00 0.00 C +ATOM 313 C ASP A 24 8.413 -3.079 0.804 1.00 0.00 C +ATOM 314 O ASP A 24 7.658 -2.136 1.037 1.00 0.00 O +ATOM 315 CB ASP A 24 10.619 -2.105 0.246 1.00 0.00 C +ATOM 316 CG ASP A 24 12.023 -2.665 0.005 1.00 0.00 C +ATOM 317 OD1 ASP A 24 12.102 -3.752 -0.607 1.00 0.00 O +ATOM 318 OD2 ASP A 24 12.984 -1.993 0.438 1.00 0.00 O +ATOM 319 H ASP A 24 8.794 -1.382 -1.453 1.00 0.00 H +ATOM 320 HA ASP A 24 9.848 -3.943 -0.610 1.00 0.00 H +ATOM 321 HB2 ASP A 24 10.554 -1.118 -0.213 1.00 0.00 H +ATOM 322 HB3 ASP A 24 10.479 -1.967 1.318 1.00 0.00 H +ATOM 323 N GLN A 25 8.387 -4.237 1.446 1.00 0.00 N +ATOM 324 CA GLN A 25 7.428 -4.482 2.510 1.00 0.00 C +ATOM 325 C GLN A 25 7.568 -3.422 3.605 1.00 0.00 C +ATOM 326 O GLN A 25 6.621 -2.690 3.891 1.00 0.00 O +ATOM 327 CB GLN A 25 7.594 -5.889 3.086 1.00 0.00 C +ATOM 328 CG GLN A 25 7.005 -6.940 2.143 1.00 0.00 C +ATOM 329 CD GLN A 25 7.947 -8.137 1.999 1.00 0.00 C +ATOM 330 OE1 GLN A 25 9.115 -8.005 1.672 1.00 0.00 O +ATOM 331 NE2 GLN A 25 7.375 -9.310 2.260 1.00 0.00 N +ATOM 332 H GLN A 25 9.005 -4.999 1.251 1.00 0.00 H +ATOM 333 HA GLN A 25 6.448 -4.401 2.041 1.00 0.00 H +ATOM 334 HB2 GLN A 25 8.652 -6.096 3.251 1.00 0.00 H +ATOM 335 HB3 GLN A 25 7.102 -5.950 4.056 1.00 0.00 H +ATOM 336 HG2 GLN A 25 6.040 -7.276 2.523 1.00 0.00 H +ATOM 337 HG3 GLN A 25 6.824 -6.495 1.164 1.00 0.00 H +ATOM 338 HE21 GLN A 25 6.411 -9.349 2.523 1.00 0.00 H +ATOM 339 HE22 GLN A 25 7.910 -10.152 2.193 1.00 0.00 H +ATOM 340 N GLU A 26 8.757 -3.373 4.188 1.00 0.00 N +ATOM 341 CA GLU A 26 9.033 -2.415 5.245 1.00 0.00 C +ATOM 342 C GLU A 26 8.463 -1.042 4.880 1.00 0.00 C +ATOM 343 O GLU A 26 8.035 -0.291 5.754 1.00 0.00 O +ATOM 344 CB GLU A 26 10.534 -2.327 5.528 1.00 0.00 C +ATOM 345 CG GLU A 26 10.982 -3.453 6.462 1.00 0.00 C +ATOM 346 CD GLU A 26 12.292 -3.092 7.166 1.00 0.00 C +ATOM 347 OE1 GLU A 26 12.354 -1.967 7.707 1.00 0.00 O +ATOM 348 OE2 GLU A 26 13.202 -3.950 7.146 1.00 0.00 O +ATOM 349 H GLU A 26 9.522 -3.971 3.950 1.00 0.00 H +ATOM 350 HA GLU A 26 8.525 -2.803 6.128 1.00 0.00 H +ATOM 351 HB2 GLU A 26 11.088 -2.386 4.591 1.00 0.00 H +ATOM 352 HB3 GLU A 26 10.768 -1.362 5.977 1.00 0.00 H +ATOM 353 HG2 GLU A 26 10.207 -3.644 7.205 1.00 0.00 H +ATOM 354 HG3 GLU A 26 11.112 -4.373 5.893 1.00 0.00 H +ATOM 355 N VAL A 27 8.476 -0.757 3.586 1.00 0.00 N +ATOM 356 CA VAL A 27 7.966 0.512 3.094 1.00 0.00 C +ATOM 357 C VAL A 27 6.437 0.485 3.118 1.00 0.00 C +ATOM 358 O VAL A 27 5.808 1.319 3.767 1.00 0.00 O +ATOM 359 CB VAL A 27 8.538 0.802 1.705 1.00 0.00 C +ATOM 360 CG1 VAL A 27 7.954 2.095 1.132 1.00 0.00 C +ATOM 361 CG2 VAL A 27 10.066 0.860 1.742 1.00 0.00 C +ATOM 362 H VAL A 27 8.827 -1.373 2.881 1.00 0.00 H +ATOM 363 HA VAL A 27 8.314 1.291 3.772 1.00 0.00 H +ATOM 364 HB VAL A 27 8.250 -0.017 1.046 1.00 0.00 H +ATOM 365 HG11 VAL A 27 8.757 2.812 0.961 1.00 0.00 H +ATOM 366 HG12 VAL A 27 7.453 1.880 0.188 1.00 0.00 H +ATOM 367 HG13 VAL A 27 7.237 2.514 1.837 1.00 0.00 H +ATOM 368 HG21 VAL A 27 10.456 -0.079 2.137 1.00 0.00 H +ATOM 369 HG22 VAL A 27 10.449 1.016 0.733 1.00 0.00 H +ATOM 370 HG23 VAL A 27 10.384 1.683 2.382 1.00 0.00 H +ATOM 371 N ILE A 28 5.882 -0.482 2.401 1.00 0.00 N +ATOM 372 CA ILE A 28 4.438 -0.628 2.332 1.00 0.00 C +ATOM 373 C ILE A 28 3.842 -0.421 3.725 1.00 0.00 C +ATOM 374 O ILE A 28 2.913 0.368 3.896 1.00 0.00 O +ATOM 375 CB ILE A 28 4.066 -1.969 1.696 1.00 0.00 C +ATOM 376 CG1 ILE A 28 4.519 -2.028 0.236 1.00 0.00 C +ATOM 377 CG2 ILE A 28 2.569 -2.248 1.843 1.00 0.00 C +ATOM 378 CD1 ILE A 28 4.570 -3.474 -0.264 1.00 0.00 C +ATOM 379 H ILE A 28 6.401 -1.156 1.876 1.00 0.00 H +ATOM 380 HA ILE A 28 4.062 0.156 1.675 1.00 0.00 H +ATOM 381 HB ILE A 28 4.594 -2.759 2.230 1.00 0.00 H +ATOM 382 HG12 ILE A 28 3.836 -1.449 -0.385 1.00 0.00 H +ATOM 383 HG13 ILE A 28 5.504 -1.571 0.138 1.00 0.00 H +ATOM 384 HG21 ILE A 28 2.378 -3.307 1.669 1.00 0.00 H +ATOM 385 HG22 ILE A 28 2.246 -1.982 2.850 1.00 0.00 H +ATOM 386 HG23 ILE A 28 2.015 -1.654 1.116 1.00 0.00 H +ATOM 387 HD11 ILE A 28 3.558 -3.823 -0.468 1.00 0.00 H +ATOM 388 HD12 ILE A 28 5.162 -3.521 -1.178 1.00 0.00 H +ATOM 389 HD13 ILE A 28 5.027 -4.106 0.498 1.00 0.00 H +ATOM 390 N ARG A 29 4.399 -1.144 4.686 1.00 0.00 N +ATOM 391 CA ARG A 29 3.933 -1.049 6.059 1.00 0.00 C +ATOM 392 C ARG A 29 4.200 0.351 6.615 1.00 0.00 C +ATOM 393 O ARG A 29 3.363 0.913 7.320 1.00 0.00 O +ATOM 394 CB ARG A 29 4.627 -2.083 6.948 1.00 0.00 C +ATOM 395 CG ARG A 29 4.670 -3.452 6.266 1.00 0.00 C +ATOM 396 CD ARG A 29 4.660 -4.581 7.299 1.00 0.00 C +ATOM 397 NE ARG A 29 4.492 -5.886 6.622 1.00 0.00 N +ATOM 398 CZ ARG A 29 4.108 -7.010 7.242 1.00 0.00 C +ATOM 399 NH1 ARG A 29 3.852 -6.996 8.557 1.00 0.00 N +ATOM 400 NH2 ARG A 29 3.982 -8.149 6.547 1.00 0.00 N +ATOM 401 H ARG A 29 5.154 -1.783 4.539 1.00 0.00 H +ATOM 402 HA ARG A 29 2.864 -1.253 6.005 1.00 0.00 H +ATOM 403 HB2 ARG A 29 5.641 -1.753 7.174 1.00 0.00 H +ATOM 404 HB3 ARG A 29 4.099 -2.163 7.899 1.00 0.00 H +ATOM 405 HG2 ARG A 29 3.814 -3.557 5.599 1.00 0.00 H +ATOM 406 HG3 ARG A 29 5.565 -3.527 5.649 1.00 0.00 H +ATOM 407 HD2 ARG A 29 5.591 -4.573 7.866 1.00 0.00 H +ATOM 408 HD3 ARG A 29 3.851 -4.425 8.012 1.00 0.00 H +ATOM 409 HE ARG A 29 4.675 -5.931 5.640 1.00 0.00 H +ATOM 410 HH11 ARG A 29 3.946 -6.146 9.076 1.00 0.00 H +ATOM 411 HH12 ARG A 29 3.566 -7.835 9.020 1.00 0.00 H +ATOM 412 HH21 ARG A 29 4.173 -8.159 5.565 1.00 0.00 H +ATOM 413 HH22 ARG A 29 3.696 -8.988 7.010 1.00 0.00 H +ATOM 414 N SER A 30 5.369 0.875 6.276 1.00 0.00 N +ATOM 415 CA SER A 30 5.756 2.199 6.732 1.00 0.00 C +ATOM 416 C SER A 30 4.730 3.234 6.265 1.00 0.00 C +ATOM 417 O SER A 30 4.681 4.345 6.790 1.00 0.00 O +ATOM 418 CB SER A 30 7.152 2.570 6.227 1.00 0.00 C +ATOM 419 OG SER A 30 7.609 3.802 6.777 1.00 0.00 O +ATOM 420 H SER A 30 6.044 0.412 5.702 1.00 0.00 H +ATOM 421 HA SER A 30 5.768 2.137 7.821 1.00 0.00 H +ATOM 422 HB2 SER A 30 7.853 1.776 6.485 1.00 0.00 H +ATOM 423 HB3 SER A 30 7.137 2.640 5.140 1.00 0.00 H +ATOM 424 HG SER A 30 7.018 4.079 7.535 1.00 0.00 H +ATOM 425 N VAL A 31 3.937 2.833 5.283 1.00 0.00 N +ATOM 426 CA VAL A 31 2.916 3.711 4.740 1.00 0.00 C +ATOM 427 C VAL A 31 1.588 3.446 5.453 1.00 0.00 C +ATOM 428 O VAL A 31 0.992 4.359 6.022 1.00 0.00 O +ATOM 429 CB VAL A 31 2.825 3.533 3.223 1.00 0.00 C +ATOM 430 CG1 VAL A 31 1.647 4.322 2.647 1.00 0.00 C +ATOM 431 CG2 VAL A 31 4.137 3.933 2.545 1.00 0.00 C +ATOM 432 H VAL A 31 3.983 1.927 4.862 1.00 0.00 H +ATOM 433 HA VAL A 31 3.223 4.737 4.941 1.00 0.00 H +ATOM 434 HB VAL A 31 2.652 2.476 3.019 1.00 0.00 H +ATOM 435 HG11 VAL A 31 1.113 3.703 1.926 1.00 0.00 H +ATOM 436 HG12 VAL A 31 0.972 4.606 3.454 1.00 0.00 H +ATOM 437 HG13 VAL A 31 2.019 5.219 2.151 1.00 0.00 H +ATOM 438 HG21 VAL A 31 4.024 3.860 1.463 1.00 0.00 H +ATOM 439 HG22 VAL A 31 4.388 4.959 2.815 1.00 0.00 H +ATOM 440 HG23 VAL A 31 4.934 3.266 2.873 1.00 0.00 H +ATOM 441 N LEU A 32 1.164 2.192 5.398 1.00 0.00 N +ATOM 442 CA LEU A 32 -0.082 1.795 6.032 1.00 0.00 C +ATOM 443 C LEU A 32 -0.094 2.292 7.479 1.00 0.00 C +ATOM 444 O LEU A 32 -1.120 2.762 7.969 1.00 0.00 O +ATOM 445 CB LEU A 32 -0.294 0.286 5.898 1.00 0.00 C +ATOM 446 CG LEU A 32 -1.352 -0.327 6.817 1.00 0.00 C +ATOM 447 CD1 LEU A 32 -2.736 -0.281 6.167 1.00 0.00 C +ATOM 448 CD2 LEU A 32 -0.961 -1.747 7.233 1.00 0.00 C +ATOM 449 H LEU A 32 1.655 1.455 4.933 1.00 0.00 H +ATOM 450 HA LEU A 32 -0.893 2.284 5.492 1.00 0.00 H +ATOM 451 HB2 LEU A 32 -0.568 0.067 4.866 1.00 0.00 H +ATOM 452 HB3 LEU A 32 0.657 -0.213 6.088 1.00 0.00 H +ATOM 453 HG LEU A 32 -1.403 0.272 7.726 1.00 0.00 H +ATOM 454 HD11 LEU A 32 -3.048 -1.292 5.905 1.00 0.00 H +ATOM 455 HD12 LEU A 32 -3.452 0.150 6.867 1.00 0.00 H +ATOM 456 HD13 LEU A 32 -2.695 0.332 5.267 1.00 0.00 H +ATOM 457 HD21 LEU A 32 -1.211 -1.899 8.284 1.00 0.00 H +ATOM 458 HD22 LEU A 32 -1.505 -2.467 6.623 1.00 0.00 H +ATOM 459 HD23 LEU A 32 0.110 -1.885 7.091 1.00 0.00 H +ATOM 460 N GLU A 33 1.058 2.171 8.122 1.00 0.00 N +ATOM 461 CA GLU A 33 1.193 2.602 9.503 1.00 0.00 C +ATOM 462 C GLU A 33 1.122 4.127 9.592 1.00 0.00 C +ATOM 463 O GLU A 33 0.536 4.671 10.527 1.00 0.00 O +ATOM 464 CB GLU A 33 2.492 2.076 10.117 1.00 0.00 C +ATOM 465 CG GLU A 33 2.234 0.827 10.961 1.00 0.00 C +ATOM 466 CD GLU A 33 2.228 1.165 12.454 1.00 0.00 C +ATOM 467 OE1 GLU A 33 3.220 1.782 12.900 1.00 0.00 O +ATOM 468 OE2 GLU A 33 1.232 0.800 13.115 1.00 0.00 O +ATOM 469 H GLU A 33 1.888 1.787 7.716 1.00 0.00 H +ATOM 470 HA GLU A 33 0.346 2.160 10.028 1.00 0.00 H +ATOM 471 HB2 GLU A 33 3.205 1.844 9.325 1.00 0.00 H +ATOM 472 HB3 GLU A 33 2.945 2.851 10.736 1.00 0.00 H +ATOM 473 HG2 GLU A 33 1.277 0.386 10.681 1.00 0.00 H +ATOM 474 HG3 GLU A 33 3.001 0.081 10.757 1.00 0.00 H +ATOM 475 N ALA A 34 1.726 4.775 8.607 1.00 0.00 N +ATOM 476 CA ALA A 34 1.739 6.227 8.563 1.00 0.00 C +ATOM 477 C ALA A 34 0.411 6.727 7.989 1.00 0.00 C +ATOM 478 O ALA A 34 0.153 7.929 7.969 1.00 0.00 O +ATOM 479 CB ALA A 34 2.943 6.703 7.747 1.00 0.00 C +ATOM 480 H ALA A 34 2.200 4.325 7.850 1.00 0.00 H +ATOM 481 HA ALA A 34 1.842 6.590 9.586 1.00 0.00 H +ATOM 482 HB1 ALA A 34 2.719 7.672 7.301 1.00 0.00 H +ATOM 483 HB2 ALA A 34 3.810 6.796 8.401 1.00 0.00 H +ATOM 484 HB3 ALA A 34 3.156 5.980 6.960 1.00 0.00 H +ATOM 485 N GLN A 35 -0.395 5.779 7.536 1.00 0.00 N +ATOM 486 CA GLN A 35 -1.690 6.108 6.963 1.00 0.00 C +ATOM 487 C GLN A 35 -2.815 5.627 7.882 1.00 0.00 C +ATOM 488 O GLN A 35 -3.792 5.042 7.419 1.00 0.00 O +ATOM 489 CB GLN A 35 -1.836 5.513 5.561 1.00 0.00 C +ATOM 490 CG GLN A 35 -0.838 6.147 4.590 1.00 0.00 C +ATOM 491 CD GLN A 35 -1.237 7.585 4.254 1.00 0.00 C +ATOM 492 OE1 GLN A 35 -2.404 7.938 4.207 1.00 0.00 O +ATOM 493 NE2 GLN A 35 -0.206 8.393 4.024 1.00 0.00 N +ATOM 494 H GLN A 35 -0.178 4.803 7.556 1.00 0.00 H +ATOM 495 HA GLN A 35 -1.708 7.195 6.894 1.00 0.00 H +ATOM 496 HB2 GLN A 35 -1.676 4.436 5.601 1.00 0.00 H +ATOM 497 HB3 GLN A 35 -2.851 5.672 5.199 1.00 0.00 H +ATOM 498 HG2 GLN A 35 0.160 6.136 5.030 1.00 0.00 H +ATOM 499 HG3 GLN A 35 -0.789 5.556 3.676 1.00 0.00 H +ATOM 500 HE21 GLN A 35 0.728 8.040 4.079 1.00 0.00 H +ATOM 501 HE22 GLN A 35 -0.365 9.354 3.797 1.00 0.00 H +ATOM 502 N ARG A 36 -2.638 5.892 9.169 1.00 0.00 N +ATOM 503 CA ARG A 36 -3.627 5.494 10.157 1.00 0.00 C +ATOM 504 C ARG A 36 -4.189 4.112 9.818 1.00 0.00 C +ATOM 505 O ARG A 36 -5.339 3.812 10.134 1.00 0.00 O +ATOM 506 CB ARG A 36 -4.775 6.502 10.224 1.00 0.00 C +ATOM 507 CG ARG A 36 -4.332 7.794 10.914 1.00 0.00 C +ATOM 508 CD ARG A 36 -4.913 7.889 12.326 1.00 0.00 C +ATOM 509 NE ARG A 36 -4.251 8.980 13.074 1.00 0.00 N +ATOM 510 CZ ARG A 36 -3.094 8.843 13.737 1.00 0.00 C +ATOM 511 NH1 ARG A 36 -2.465 7.660 13.748 1.00 0.00 N +ATOM 512 NH2 ARG A 36 -2.566 9.889 14.388 1.00 0.00 N +ATOM 513 H ARG A 36 -1.840 6.368 9.537 1.00 0.00 H +ATOM 514 HA ARG A 36 -3.084 5.476 11.102 1.00 0.00 H +ATOM 515 HB2 ARG A 36 -5.127 6.726 9.217 1.00 0.00 H +ATOM 516 HB3 ARG A 36 -5.615 6.067 10.765 1.00 0.00 H +ATOM 517 HG2 ARG A 36 -3.243 7.829 10.962 1.00 0.00 H +ATOM 518 HG3 ARG A 36 -4.653 8.654 10.326 1.00 0.00 H +ATOM 519 HD2 ARG A 36 -5.986 8.071 12.275 1.00 0.00 H +ATOM 520 HD3 ARG A 36 -4.775 6.942 12.850 1.00 0.00 H +ATOM 521 HE ARG A 36 -4.694 9.877 13.086 1.00 0.00 H +ATOM 522 HH11 ARG A 36 -2.858 6.880 13.262 1.00 0.00 H +ATOM 523 HH12 ARG A 36 -1.602 7.558 14.243 1.00 0.00 H +ATOM 524 HH21 ARG A 36 -3.036 10.772 14.379 1.00 0.00 H +ATOM 525 HH22 ARG A 36 -1.703 9.786 14.882 1.00 0.00 H +ATOM 526 N GLY A 37 -3.352 3.308 9.180 1.00 0.00 N +ATOM 527 CA GLY A 37 -3.751 1.965 8.795 1.00 0.00 C +ATOM 528 C GLY A 37 -4.896 2.003 7.780 1.00 0.00 C +ATOM 529 O GLY A 37 -5.899 1.311 7.944 1.00 0.00 O +ATOM 530 H GLY A 37 -2.418 3.560 8.927 1.00 0.00 H +ATOM 531 HA2 GLY A 37 -2.899 1.437 8.368 1.00 0.00 H +ATOM 532 HA3 GLY A 37 -4.062 1.407 9.678 1.00 0.00 H +ATOM 533 N ASN A 38 -4.707 2.819 6.753 1.00 0.00 N +ATOM 534 CA ASN A 38 -5.711 2.956 5.712 1.00 0.00 C +ATOM 535 C ASN A 38 -5.120 2.498 4.377 1.00 0.00 C +ATOM 536 O ASN A 38 -4.450 3.270 3.693 1.00 0.00 O +ATOM 537 CB ASN A 38 -6.150 4.414 5.559 1.00 0.00 C +ATOM 538 CG ASN A 38 -7.675 4.534 5.603 1.00 0.00 C +ATOM 539 OD1 ASN A 38 -8.275 4.775 6.637 1.00 0.00 O +ATOM 540 ND2 ASN A 38 -8.265 4.354 4.425 1.00 0.00 N +ATOM 541 H ASN A 38 -3.888 3.379 6.627 1.00 0.00 H +ATOM 542 HA ASN A 38 -6.545 2.334 6.035 1.00 0.00 H +ATOM 543 HB2 ASN A 38 -5.712 5.015 6.356 1.00 0.00 H +ATOM 544 HB3 ASN A 38 -5.777 4.813 4.616 1.00 0.00 H +ATOM 545 HD21 ASN A 38 -7.714 4.159 3.614 1.00 0.00 H +ATOM 546 HD22 ASN A 38 -9.261 4.413 4.350 1.00 0.00 H +ATOM 547 N LYS A 39 -5.391 1.244 4.046 1.00 0.00 N +ATOM 548 CA LYS A 39 -4.895 0.675 2.805 1.00 0.00 C +ATOM 549 C LYS A 39 -5.103 1.678 1.669 1.00 0.00 C +ATOM 550 O LYS A 39 -4.147 2.077 1.005 1.00 0.00 O +ATOM 551 CB LYS A 39 -5.539 -0.689 2.546 1.00 0.00 C +ATOM 552 CG LYS A 39 -5.165 -1.218 1.160 1.00 0.00 C +ATOM 553 CD LYS A 39 -6.397 -1.751 0.426 1.00 0.00 C +ATOM 554 CE LYS A 39 -6.067 -3.034 -0.340 1.00 0.00 C +ATOM 555 NZ LYS A 39 -6.730 -3.033 -1.663 1.00 0.00 N +ATOM 556 H LYS A 39 -5.937 0.623 4.607 1.00 0.00 H +ATOM 557 HA LYS A 39 -3.825 0.508 2.926 1.00 0.00 H +ATOM 558 HB2 LYS A 39 -5.217 -1.398 3.309 1.00 0.00 H +ATOM 559 HB3 LYS A 39 -6.622 -0.605 2.627 1.00 0.00 H +ATOM 560 HG2 LYS A 39 -4.705 -0.422 0.575 1.00 0.00 H +ATOM 561 HG3 LYS A 39 -4.424 -2.011 1.257 1.00 0.00 H +ATOM 562 HD2 LYS A 39 -7.195 -1.947 1.142 1.00 0.00 H +ATOM 563 HD3 LYS A 39 -6.768 -0.995 -0.266 1.00 0.00 H +ATOM 564 HE2 LYS A 39 -4.988 -3.120 -0.468 1.00 0.00 H +ATOM 565 HE3 LYS A 39 -6.390 -3.901 0.235 1.00 0.00 H +ATOM 566 HZ1 LYS A 39 -6.057 -2.831 -2.374 1.00 0.00 H +ATOM 567 HZ2 LYS A 39 -7.136 -3.931 -1.833 1.00 0.00 H +ATOM 568 HZ3 LYS A 39 -7.447 -2.335 -1.676 1.00 0.00 H +ATOM 569 N ASP A 40 -6.358 2.057 1.479 1.00 0.00 N +ATOM 570 CA ASP A 40 -6.704 3.006 0.435 1.00 0.00 C +ATOM 571 C ASP A 40 -5.688 4.150 0.435 1.00 0.00 C +ATOM 572 O ASP A 40 -4.992 4.367 -0.556 1.00 0.00 O +ATOM 573 CB ASP A 40 -8.091 3.606 0.673 1.00 0.00 C +ATOM 574 CG ASP A 40 -9.234 2.902 -0.061 1.00 0.00 C +ATOM 575 OD1 ASP A 40 -8.953 2.335 -1.139 1.00 0.00 O +ATOM 576 OD2 ASP A 40 -10.364 2.947 0.473 1.00 0.00 O +ATOM 577 H ASP A 40 -7.130 1.728 2.023 1.00 0.00 H +ATOM 578 HA ASP A 40 -6.686 2.432 -0.491 1.00 0.00 H +ATOM 579 HB2 ASP A 40 -8.300 3.588 1.743 1.00 0.00 H +ATOM 580 HB3 ASP A 40 -8.075 4.653 0.370 1.00 0.00 H +ATOM 581 N ALA A 41 -5.635 4.852 1.557 1.00 0.00 N +ATOM 582 CA ALA A 41 -4.716 5.969 1.699 1.00 0.00 C +ATOM 583 C ALA A 41 -3.306 5.515 1.315 1.00 0.00 C +ATOM 584 O ALA A 41 -2.607 6.206 0.577 1.00 0.00 O +ATOM 585 CB ALA A 41 -4.785 6.509 3.129 1.00 0.00 C +ATOM 586 H ALA A 41 -6.205 4.670 2.358 1.00 0.00 H +ATOM 587 HA ALA A 41 -5.036 6.752 1.012 1.00 0.00 H +ATOM 588 HB1 ALA A 41 -4.262 5.828 3.800 1.00 0.00 H +ATOM 589 HB2 ALA A 41 -4.316 7.492 3.169 1.00 0.00 H +ATOM 590 HB3 ALA A 41 -5.828 6.592 3.436 1.00 0.00 H +ATOM 591 N ALA A 42 -2.930 4.355 1.835 1.00 0.00 N +ATOM 592 CA ALA A 42 -1.617 3.801 1.555 1.00 0.00 C +ATOM 593 C ALA A 42 -1.452 3.627 0.044 1.00 0.00 C +ATOM 594 O ALA A 42 -0.588 4.255 -0.566 1.00 0.00 O +ATOM 595 CB ALA A 42 -1.446 2.484 2.316 1.00 0.00 C +ATOM 596 H ALA A 42 -3.505 3.799 2.435 1.00 0.00 H +ATOM 597 HA ALA A 42 -0.873 4.512 1.914 1.00 0.00 H +ATOM 598 HB1 ALA A 42 -1.270 1.675 1.607 1.00 0.00 H +ATOM 599 HB2 ALA A 42 -0.596 2.564 2.994 1.00 0.00 H +ATOM 600 HB3 ALA A 42 -2.349 2.276 2.889 1.00 0.00 H +ATOM 601 N ILE A 43 -2.294 2.771 -0.516 1.00 0.00 N +ATOM 602 CA ILE A 43 -2.252 2.507 -1.944 1.00 0.00 C +ATOM 603 C ILE A 43 -2.010 3.818 -2.694 1.00 0.00 C +ATOM 604 O ILE A 43 -1.092 3.912 -3.507 1.00 0.00 O +ATOM 605 CB ILE A 43 -3.516 1.768 -2.389 1.00 0.00 C +ATOM 606 CG1 ILE A 43 -3.486 0.307 -1.934 1.00 0.00 C +ATOM 607 CG2 ILE A 43 -3.721 1.894 -3.900 1.00 0.00 C +ATOM 608 CD1 ILE A 43 -4.854 -0.352 -2.119 1.00 0.00 C +ATOM 609 H ILE A 43 -2.994 2.264 -0.013 1.00 0.00 H +ATOM 610 HA ILE A 43 -1.408 1.842 -2.129 1.00 0.00 H +ATOM 611 HB ILE A 43 -4.374 2.238 -1.908 1.00 0.00 H +ATOM 612 HG12 ILE A 43 -2.735 -0.240 -2.505 1.00 0.00 H +ATOM 613 HG13 ILE A 43 -3.191 0.255 -0.886 1.00 0.00 H +ATOM 614 HG21 ILE A 43 -4.550 2.572 -4.099 1.00 0.00 H +ATOM 615 HG22 ILE A 43 -2.813 2.285 -4.359 1.00 0.00 H +ATOM 616 HG23 ILE A 43 -3.946 0.913 -4.319 1.00 0.00 H +ATOM 617 HD11 ILE A 43 -4.982 -0.639 -3.162 1.00 0.00 H +ATOM 618 HD12 ILE A 43 -4.918 -1.239 -1.488 1.00 0.00 H +ATOM 619 HD13 ILE A 43 -5.638 0.351 -1.836 1.00 0.00 H +ATOM 620 N ASN A 44 -2.850 4.798 -2.395 1.00 0.00 N +ATOM 621 CA ASN A 44 -2.738 6.100 -3.031 1.00 0.00 C +ATOM 622 C ASN A 44 -1.357 6.689 -2.739 1.00 0.00 C +ATOM 623 O ASN A 44 -0.696 7.207 -3.638 1.00 0.00 O +ATOM 624 CB ASN A 44 -3.790 7.069 -2.488 1.00 0.00 C +ATOM 625 CG ASN A 44 -3.612 8.464 -3.091 1.00 0.00 C +ATOM 626 OD1 ASN A 44 -2.614 8.774 -3.721 1.00 0.00 O +ATOM 627 ND2 ASN A 44 -4.633 9.286 -2.864 1.00 0.00 N +ATOM 628 H ASN A 44 -3.594 4.713 -1.732 1.00 0.00 H +ATOM 629 HA ASN A 44 -2.897 5.914 -4.093 1.00 0.00 H +ATOM 630 HB2 ASN A 44 -4.788 6.695 -2.717 1.00 0.00 H +ATOM 631 HB3 ASN A 44 -3.712 7.126 -1.402 1.00 0.00 H +ATOM 632 HD21 ASN A 44 -5.423 8.969 -2.339 1.00 0.00 H +ATOM 633 HD22 ASN A 44 -4.611 10.221 -3.217 1.00 0.00 H +ATOM 634 N SER A 45 -0.961 6.589 -1.478 1.00 0.00 N +ATOM 635 CA SER A 45 0.330 7.106 -1.056 1.00 0.00 C +ATOM 636 C SER A 45 1.450 6.419 -1.840 1.00 0.00 C +ATOM 637 O SER A 45 2.312 7.085 -2.411 1.00 0.00 O +ATOM 638 CB SER A 45 0.537 6.910 0.447 1.00 0.00 C +ATOM 639 OG SER A 45 1.486 7.830 0.979 1.00 0.00 O +ATOM 640 H SER A 45 -1.504 6.166 -0.753 1.00 0.00 H +ATOM 641 HA SER A 45 0.302 8.172 -1.283 1.00 0.00 H +ATOM 642 HB2 SER A 45 -0.415 7.033 0.963 1.00 0.00 H +ATOM 643 HB3 SER A 45 0.874 5.891 0.637 1.00 0.00 H +ATOM 644 HG SER A 45 1.631 8.582 0.337 1.00 0.00 H +ATOM 645 N LEU A 46 1.401 5.095 -1.843 1.00 0.00 N +ATOM 646 CA LEU A 46 2.401 4.310 -2.547 1.00 0.00 C +ATOM 647 C LEU A 46 2.403 4.704 -4.026 1.00 0.00 C +ATOM 648 O LEU A 46 3.456 4.992 -4.593 1.00 0.00 O +ATOM 649 CB LEU A 46 2.174 2.816 -2.310 1.00 0.00 C +ATOM 650 CG LEU A 46 2.435 2.316 -0.887 1.00 0.00 C +ATOM 651 CD1 LEU A 46 1.411 1.254 -0.483 1.00 0.00 C +ATOM 652 CD2 LEU A 46 3.872 1.813 -0.738 1.00 0.00 C +ATOM 653 H LEU A 46 0.696 4.560 -1.376 1.00 0.00 H +ATOM 654 HA LEU A 46 3.372 4.561 -2.121 1.00 0.00 H +ATOM 655 HB2 LEU A 46 1.144 2.578 -2.574 1.00 0.00 H +ATOM 656 HB3 LEU A 46 2.815 2.259 -2.993 1.00 0.00 H +ATOM 657 HG LEU A 46 2.315 3.156 -0.203 1.00 0.00 H +ATOM 658 HD11 LEU A 46 1.859 0.264 -0.573 1.00 0.00 H +ATOM 659 HD12 LEU A 46 1.102 1.421 0.549 1.00 0.00 H +ATOM 660 HD13 LEU A 46 0.542 1.320 -1.138 1.00 0.00 H +ATOM 661 HD21 LEU A 46 4.122 1.735 0.320 1.00 0.00 H +ATOM 662 HD22 LEU A 46 3.965 0.833 -1.206 1.00 0.00 H +ATOM 663 HD23 LEU A 46 4.554 2.512 -1.221 1.00 0.00 H +ATOM 664 N LEU A 47 1.212 4.705 -4.607 1.00 0.00 N +ATOM 665 CA LEU A 47 1.064 5.059 -6.008 1.00 0.00 C +ATOM 666 C LEU A 47 1.916 6.293 -6.311 1.00 0.00 C +ATOM 667 O LEU A 47 2.814 6.242 -7.150 1.00 0.00 O +ATOM 668 CB LEU A 47 -0.414 5.230 -6.364 1.00 0.00 C +ATOM 669 CG LEU A 47 -0.990 4.208 -7.347 1.00 0.00 C +ATOM 670 CD1 LEU A 47 -2.403 4.601 -7.781 1.00 0.00 C +ATOM 671 CD2 LEU A 47 -0.056 4.012 -8.544 1.00 0.00 C +ATOM 672 H LEU A 47 0.361 4.470 -4.138 1.00 0.00 H +ATOM 673 HA LEU A 47 1.443 4.224 -6.598 1.00 0.00 H +ATOM 674 HB2 LEU A 47 -0.996 5.187 -5.444 1.00 0.00 H +ATOM 675 HB3 LEU A 47 -0.554 6.226 -6.783 1.00 0.00 H +ATOM 676 HG LEU A 47 -1.065 3.248 -6.837 1.00 0.00 H +ATOM 677 HD11 LEU A 47 -2.378 5.582 -8.257 1.00 0.00 H +ATOM 678 HD12 LEU A 47 -2.785 3.864 -8.488 1.00 0.00 H +ATOM 679 HD13 LEU A 47 -3.055 4.638 -6.908 1.00 0.00 H +ATOM 680 HD21 LEU A 47 0.714 4.783 -8.533 1.00 0.00 H +ATOM 681 HD22 LEU A 47 0.411 3.030 -8.482 1.00 0.00 H +ATOM 682 HD23 LEU A 47 -0.630 4.085 -9.468 1.00 0.00 H +ATOM 683 N GLN A 48 1.604 7.374 -5.611 1.00 0.00 N +ATOM 684 CA GLN A 48 2.330 8.620 -5.795 1.00 0.00 C +ATOM 685 C GLN A 48 3.812 8.424 -5.466 1.00 0.00 C +ATOM 686 O GLN A 48 4.675 8.676 -6.305 1.00 0.00 O +ATOM 687 CB GLN A 48 1.723 9.738 -4.945 1.00 0.00 C +ATOM 688 CG GLN A 48 1.094 10.817 -5.828 1.00 0.00 C +ATOM 689 CD GLN A 48 1.228 12.199 -5.185 1.00 0.00 C +ATOM 690 OE1 GLN A 48 0.935 12.400 -4.018 1.00 0.00 O +ATOM 691 NE2 GLN A 48 1.687 13.137 -6.009 1.00 0.00 N +ATOM 692 H GLN A 48 0.872 7.408 -4.931 1.00 0.00 H +ATOM 693 HA GLN A 48 2.215 8.870 -6.849 1.00 0.00 H +ATOM 694 HB2 GLN A 48 0.968 9.324 -4.277 1.00 0.00 H +ATOM 695 HB3 GLN A 48 2.495 10.182 -4.317 1.00 0.00 H +ATOM 696 HG2 GLN A 48 1.576 10.819 -6.806 1.00 0.00 H +ATOM 697 HG3 GLN A 48 0.041 10.590 -5.992 1.00 0.00 H +ATOM 698 HE21 GLN A 48 1.909 12.906 -6.956 1.00 0.00 H +ATOM 699 HE22 GLN A 48 1.809 14.074 -5.681 1.00 0.00 H +ATOM 700 N MET A 49 4.060 7.976 -4.244 1.00 0.00 N +ATOM 701 CA MET A 49 5.422 7.744 -3.795 1.00 0.00 C +ATOM 702 C MET A 49 6.230 6.998 -4.858 1.00 0.00 C +ATOM 703 O MET A 49 5.745 6.035 -5.450 1.00 0.00 O +ATOM 704 CB MET A 49 5.401 6.926 -2.502 1.00 0.00 C +ATOM 705 CG MET A 49 4.895 7.767 -1.329 1.00 0.00 C +ATOM 706 SD MET A 49 6.256 8.205 -0.260 1.00 0.00 S +ATOM 707 CE MET A 49 6.750 6.581 0.293 1.00 0.00 C +ATOM 708 H MET A 49 3.351 7.774 -3.568 1.00 0.00 H +ATOM 709 HA MET A 49 5.849 8.733 -3.631 1.00 0.00 H +ATOM 710 HB2 MET A 49 4.761 6.053 -2.631 1.00 0.00 H +ATOM 711 HB3 MET A 49 6.403 6.557 -2.284 1.00 0.00 H +ATOM 712 HG2 MET A 49 4.409 8.670 -1.700 1.00 0.00 H +ATOM 713 HG3 MET A 49 4.145 7.210 -0.767 1.00 0.00 H +ATOM 714 HE1 MET A 49 6.921 6.600 1.369 1.00 0.00 H +ATOM 715 HE2 MET A 49 5.962 5.863 0.062 1.00 0.00 H +ATOM 716 HE3 MET A 49 7.668 6.288 -0.215 1.00 0.00 H +ATOM 717 N GLY A 50 7.450 7.471 -5.068 1.00 0.00 N +ATOM 718 CA GLY A 50 8.331 6.861 -6.050 1.00 0.00 C +ATOM 719 C GLY A 50 8.052 7.408 -7.452 1.00 0.00 C +ATOM 720 O GLY A 50 7.503 8.499 -7.598 1.00 0.00 O +ATOM 721 H GLY A 50 7.837 8.255 -4.583 1.00 0.00 H +ATOM 722 HA2 GLY A 50 9.369 7.053 -5.781 1.00 0.00 H +ATOM 723 HA3 GLY A 50 8.194 5.780 -6.044 1.00 0.00 H +ATOM 724 N GLU A 51 8.442 6.624 -8.446 1.00 0.00 N +ATOM 725 CA GLU A 51 8.241 7.016 -9.831 1.00 0.00 C +ATOM 726 C GLU A 51 7.776 5.817 -10.660 1.00 0.00 C +ATOM 727 O GLU A 51 8.449 4.788 -10.700 1.00 0.00 O +ATOM 728 CB GLU A 51 9.514 7.628 -10.418 1.00 0.00 C +ATOM 729 CG GLU A 51 10.619 6.578 -10.544 1.00 0.00 C +ATOM 730 CD GLU A 51 11.989 7.183 -10.227 1.00 0.00 C +ATOM 731 OE1 GLU A 51 12.616 7.697 -11.178 1.00 0.00 O +ATOM 732 OE2 GLU A 51 12.377 7.117 -9.041 1.00 0.00 O +ATOM 733 H GLU A 51 8.887 5.738 -8.318 1.00 0.00 H +ATOM 734 HA GLU A 51 7.458 7.774 -9.806 1.00 0.00 H +ATOM 735 HB2 GLU A 51 9.299 8.055 -11.398 1.00 0.00 H +ATOM 736 HB3 GLU A 51 9.855 8.446 -9.783 1.00 0.00 H +ATOM 737 HG2 GLU A 51 10.418 5.749 -9.866 1.00 0.00 H +ATOM 738 HG3 GLU A 51 10.624 6.170 -11.555 1.00 0.00 H +ATOM 739 N GLU A 52 6.630 5.990 -11.301 1.00 0.00 N +ATOM 740 CA GLU A 52 6.068 4.934 -12.127 1.00 0.00 C +ATOM 741 C GLU A 52 6.430 5.161 -13.596 1.00 0.00 C +ATOM 742 O GLU A 52 6.609 6.299 -14.027 1.00 0.00 O +ATOM 743 CB GLU A 52 4.552 4.844 -11.943 1.00 0.00 C +ATOM 744 CG GLU A 52 4.185 3.747 -10.942 1.00 0.00 C +ATOM 745 CD GLU A 52 2.826 3.130 -11.277 1.00 0.00 C +ATOM 746 OE1 GLU A 52 1.973 3.884 -11.793 1.00 0.00 O +ATOM 747 OE2 GLU A 52 2.670 1.919 -11.008 1.00 0.00 O +ATOM 748 H GLU A 52 6.089 6.830 -11.263 1.00 0.00 H +ATOM 749 HA GLU A 52 6.527 4.012 -11.770 1.00 0.00 H +ATOM 750 HB2 GLU A 52 4.166 5.802 -11.596 1.00 0.00 H +ATOM 751 HB3 GLU A 52 4.077 4.638 -12.903 1.00 0.00 H +ATOM 752 HG2 GLU A 52 4.952 2.972 -10.949 1.00 0.00 H +ATOM 753 HG3 GLU A 52 4.162 4.162 -9.934 1.00 0.00 H +ATOM 754 N PRO A 53 6.529 4.029 -14.344 1.00 0.00 N +ATOM 755 CA PRO A 53 6.866 4.093 -15.756 1.00 0.00 C +ATOM 756 C PRO A 53 5.674 4.577 -16.584 1.00 0.00 C +ATOM 757 O PRO A 53 4.760 3.806 -16.873 1.00 0.00 O +ATOM 758 CB PRO A 53 7.308 2.684 -16.119 1.00 0.00 C +ATOM 759 CG PRO A 53 6.763 1.782 -15.024 1.00 0.00 C +ATOM 760 CD PRO A 53 6.323 2.665 -13.868 1.00 0.00 C +ATOM 761 HA PRO A 53 7.594 4.761 -15.909 1.00 0.00 H +ATOM 762 HB2 PRO A 53 6.920 2.393 -17.095 1.00 0.00 H +ATOM 763 HB3 PRO A 53 8.395 2.618 -16.175 1.00 0.00 H +ATOM 764 HG2 PRO A 53 5.924 1.194 -15.396 1.00 0.00 H +ATOM 765 HG3 PRO A 53 7.526 1.076 -14.696 1.00 0.00 H +ATOM 766 HD2 PRO A 53 5.279 2.488 -13.610 1.00 0.00 H +ATOM 767 HD3 PRO A 53 6.911 2.465 -12.972 1.00 0.00 H +ATOM 768 N SER A 54 5.721 5.852 -16.941 1.00 0.00 N +ATOM 769 CA SER A 54 4.656 6.448 -17.730 1.00 0.00 C +ATOM 770 C SER A 54 4.450 5.650 -19.019 1.00 0.00 C +ATOM 771 O SER A 54 5.318 4.876 -19.420 1.00 0.00 O +ATOM 772 CB SER A 54 4.964 7.911 -18.054 1.00 0.00 C +ATOM 773 OG SER A 54 5.225 8.675 -16.880 1.00 0.00 O +ATOM 774 H SER A 54 6.468 6.472 -16.702 1.00 0.00 H +ATOM 775 HA SER A 54 3.767 6.395 -17.101 1.00 0.00 H +ATOM 776 HB2 SER A 54 5.827 7.961 -18.718 1.00 0.00 H +ATOM 777 HB3 SER A 54 4.122 8.348 -18.591 1.00 0.00 H +ATOM 778 HG SER A 54 6.184 8.579 -16.616 1.00 0.00 H +ATOM 779 N GLY A 55 3.296 5.867 -19.633 1.00 0.00 N +ATOM 780 CA GLY A 55 2.965 5.178 -20.868 1.00 0.00 C +ATOM 781 C GLY A 55 1.451 5.018 -21.018 1.00 0.00 C +ATOM 782 O GLY A 55 0.681 5.773 -20.427 1.00 0.00 O +ATOM 783 H GLY A 55 2.595 6.498 -19.300 1.00 0.00 H +ATOM 784 HA2 GLY A 55 3.361 5.735 -21.717 1.00 0.00 H +ATOM 785 HA3 GLY A 55 3.441 4.197 -20.881 1.00 0.00 H +ATOM 786 N PRO A 56 1.058 4.003 -21.834 1.00 0.00 N +ATOM 787 CA PRO A 56 -0.350 3.734 -22.069 1.00 0.00 C +ATOM 788 C PRO A 56 -0.989 3.053 -20.857 1.00 0.00 C +ATOM 789 O PRO A 56 -0.378 2.184 -20.236 1.00 0.00 O +ATOM 790 CB PRO A 56 -0.383 2.872 -23.321 1.00 0.00 C +ATOM 791 CG PRO A 56 1.020 2.305 -23.473 1.00 0.00 C +ATOM 792 CD PRO A 56 1.941 3.088 -22.552 1.00 0.00 C +ATOM 793 HA PRO A 56 -0.851 4.591 -22.196 1.00 0.00 H +ATOM 794 HB2 PRO A 56 -1.119 2.074 -23.226 1.00 0.00 H +ATOM 795 HB3 PRO A 56 -0.663 3.461 -24.194 1.00 0.00 H +ATOM 796 HG2 PRO A 56 1.033 1.246 -23.216 1.00 0.00 H +ATOM 797 HG3 PRO A 56 1.354 2.387 -24.507 1.00 0.00 H +ATOM 798 HD2 PRO A 56 2.469 2.427 -21.864 1.00 0.00 H +ATOM 799 HD3 PRO A 56 2.699 3.631 -23.117 1.00 0.00 H +ATOM 800 N SER A 57 -2.209 3.473 -20.557 1.00 0.00 N +ATOM 801 CA SER A 57 -2.936 2.914 -19.430 1.00 0.00 C +ATOM 802 C SER A 57 -4.391 2.650 -19.825 1.00 0.00 C +ATOM 803 O SER A 57 -5.081 3.549 -20.303 1.00 0.00 O +ATOM 804 CB SER A 57 -2.876 3.846 -18.219 1.00 0.00 C +ATOM 805 OG SER A 57 -3.333 5.159 -18.532 1.00 0.00 O +ATOM 806 H SER A 57 -2.698 4.179 -21.067 1.00 0.00 H +ATOM 807 HA SER A 57 -2.428 1.979 -19.194 1.00 0.00 H +ATOM 808 HB2 SER A 57 -3.484 3.434 -17.413 1.00 0.00 H +ATOM 809 HB3 SER A 57 -1.852 3.897 -17.851 1.00 0.00 H +ATOM 810 HG SER A 57 -4.304 5.246 -18.309 1.00 0.00 H +ATOM 811 N SER A 58 -4.813 1.412 -19.611 1.00 0.00 N +ATOM 812 CA SER A 58 -6.173 1.019 -19.939 1.00 0.00 C +ATOM 813 C SER A 58 -6.780 0.220 -18.784 1.00 0.00 C +ATOM 814 O SER A 58 -7.806 0.608 -18.227 1.00 0.00 O +ATOM 815 CB SER A 58 -6.213 0.199 -21.230 1.00 0.00 C +ATOM 816 OG SER A 58 -7.544 0.021 -21.708 1.00 0.00 O +ATOM 817 H SER A 58 -4.246 0.687 -19.222 1.00 0.00 H +ATOM 818 HA SER A 58 -6.716 1.952 -20.085 1.00 0.00 H +ATOM 819 HB2 SER A 58 -5.616 0.697 -21.994 1.00 0.00 H +ATOM 820 HB3 SER A 58 -5.758 -0.776 -21.055 1.00 0.00 H +ATOM 821 HG SER A 58 -7.576 0.180 -22.695 1.00 0.00 H +ATOM 822 N GLY A 59 -6.120 -0.881 -18.457 1.00 0.00 N +ATOM 823 CA GLY A 59 -6.581 -1.738 -17.378 1.00 0.00 C +ATOM 824 C GLY A 59 -7.648 -2.717 -17.873 1.00 0.00 C +ATOM 825 O GLY A 59 -8.686 -2.302 -18.385 1.00 0.00 O +ATOM 826 H GLY A 59 -5.286 -1.190 -18.915 1.00 0.00 H +ATOM 827 HA2 GLY A 59 -5.739 -2.292 -16.963 1.00 0.00 H +ATOM 828 HA3 GLY A 59 -6.988 -1.127 -16.572 1.00 0.00 H Added: SwiftApps/modFTdock/input/1wm2-1.pdb =================================================================== --- SwiftApps/modFTdock/input/1wm2-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/1wm2-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,633 @@ +ATOM 1 N THR A 12 18.553 -11.857 20.939 1.00 47.27 N +ATOM 2 CA THR A 12 18.143 -12.863 21.973 1.00 46.30 C +ATOM 3 C THR A 12 17.457 -12.196 23.178 1.00 45.53 C +ATOM 4 O THR A 12 17.266 -10.973 23.217 1.00 44.85 O +ATOM 5 CB THR A 12 19.370 -13.669 22.515 1.00 46.84 C +ATOM 6 OG1 THR A 12 20.155 -12.828 23.369 1.00 46.39 O +ATOM 7 CG2 THR A 12 20.245 -14.167 21.372 1.00 46.71 C +ATOM 8 N GLU A 13 17.103 -13.011 24.167 1.00 44.28 N +ATOM 9 CA GLU A 13 16.459 -12.503 25.376 1.00 42.81 C +ATOM 10 C GLU A 13 17.464 -11.814 26.312 1.00 40.00 C +ATOM 11 O GLU A 13 17.088 -11.213 27.346 1.00 39.30 O +ATOM 12 CB GLU A 13 15.788 -13.651 26.109 1.00 45.14 C +ATOM 13 CG GLU A 13 14.432 -13.295 26.638 1.00 48.55 C +ATOM 14 CD GLU A 13 13.641 -14.529 26.970 1.00 50.48 C +ATOM 15 OE1 GLU A 13 12.406 -14.409 27.201 1.00 51.17 O +ATOM 16 OE2 GLU A 13 14.272 -15.618 26.998 1.00 52.27 O +ATOM 17 N ASN A 14 18.741 -11.911 25.946 1.00 36.54 N +ATOM 18 CA ASN A 14 19.804 -11.318 26.745 1.00 33.19 C +ATOM 19 C ASN A 14 20.253 -9.954 26.226 1.00 33.32 C +ATOM 20 O ASN A 14 21.295 -9.423 26.671 1.00 33.77 O +ATOM 21 CB ASN A 14 21.008 -12.266 26.822 1.00 30.37 C +ATOM 22 CG ASN A 14 20.680 -13.539 27.569 1.00 27.28 C +ATOM 23 OD1 ASN A 14 20.815 -14.628 27.034 1.00 23.73 O +ATOM 24 ND2 ASN A 14 20.204 -13.393 28.810 1.00 24.83 N +ATOM 25 N ASN A 15 19.509 -9.406 25.266 1.00 31.40 N +ATOM 26 CA ASN A 15 19.834 -8.070 24.751 1.00 31.87 C +ATOM 27 C ASN A 15 18.887 -7.101 25.458 1.00 31.10 C +ATOM 28 O ASN A 15 17.980 -7.545 26.164 1.00 33.04 O +ATOM 29 CB ASN A 15 19.591 -7.971 23.236 1.00 33.53 C +ATOM 30 CG ASN A 15 20.515 -8.870 22.429 1.00 34.58 C +ATOM 31 OD1 ASN A 15 20.082 -9.882 21.869 1.00 37.17 O +ATOM 32 ND2 ASN A 15 21.793 -8.501 22.363 1.00 35.98 N +ATOM 33 N ASP A 16 19.129 -5.789 25.316 1.00 28.69 N +ATOM 34 CA ASP A 16 18.223 -4.764 25.899 1.00 27.03 C +ATOM 35 C ASP A 16 17.364 -4.414 24.696 1.00 26.51 C +ATOM 36 O ASP A 16 17.916 -3.925 23.707 1.00 24.33 O +ATOM 37 CB ASP A 16 18.955 -3.453 26.280 1.00 28.20 C +ATOM 38 CG ASP A 16 19.205 -3.318 27.774 1.00 29.35 C +ATOM 39 OD1 ASP A 16 19.488 -4.340 28.397 1.00 27.17 O +ATOM 40 OD2 ASP A 16 19.133 -2.172 28.319 1.00 31.72 O +ATOM 41 N HIS A 17 16.059 -4.666 24.756 1.00 25.01 N +ATOM 42 CA HIS A 17 15.208 -4.300 23.611 1.00 24.85 C +ATOM 43 C HIS A 17 14.526 -3.046 24.086 1.00 23.23 C +ATOM 44 O HIS A 17 14.204 -2.889 25.276 1.00 23.77 O +ATOM 45 CB HIS A 17 14.175 -5.369 23.266 1.00 26.21 C +ATOM 46 CG HIS A 17 14.749 -6.566 22.578 1.00 31.71 C +ATOM 47 ND1 HIS A 17 15.507 -7.515 23.236 1.00 33.32 N +ATOM 48 CD2 HIS A 17 14.704 -6.952 21.280 1.00 32.39 C +ATOM 49 CE1 HIS A 17 15.907 -8.432 22.370 1.00 34.08 C +ATOM 50 NE2 HIS A 17 15.433 -8.113 21.176 1.00 34.87 N +ATOM 51 N ILE A 18 14.365 -2.122 23.173 1.00 19.23 N +ATOM 52 CA ILE A 18 13.777 -0.871 23.532 1.00 18.10 C +ATOM 53 C ILE A 18 12.485 -0.763 22.739 1.00 17.30 C +ATOM 54 O ILE A 18 12.459 -1.126 21.590 1.00 16.01 O +ATOM 55 CB ILE A 18 14.776 0.314 23.212 1.00 17.83 C +ATOM 56 CG1 ILE A 18 14.160 1.679 23.617 1.00 19.98 C +ATOM 57 CG2 ILE A 18 15.152 0.314 21.781 1.00 21.11 C +ATOM 58 CD1 ILE A 18 15.122 2.803 23.540 1.00 23.08 C +ATOM 59 N ASN A 19 11.404 -0.360 23.409 1.00 15.76 N +ATOM 60 CA ASN A 19 10.135 -0.131 22.730 1.00 14.65 C +ATOM 61 C ASN A 19 10.165 1.292 22.286 1.00 13.81 C +ATOM 62 O ASN A 19 10.525 2.182 23.080 1.00 15.69 O +ATOM 63 CB ASN A 19 8.976 -0.292 23.712 1.00 18.30 C +ATOM 64 CG ASN A 19 8.829 -1.695 24.160 1.00 23.10 C +ATOM 65 OD1 ASN A 19 8.342 -2.541 23.409 1.00 25.67 O +ATOM 66 ND2 ASN A 19 9.287 -1.988 25.378 1.00 25.66 N +ATOM 67 N LEU A 20 9.810 1.561 21.031 1.00 11.19 N +ATOM 68 CA LEU A 20 9.810 2.926 20.550 1.00 11.84 C +ATOM 69 C LEU A 20 8.483 3.252 19.894 1.00 12.48 C +ATOM 70 O LEU A 20 7.840 2.351 19.312 1.00 14.27 O +ATOM 71 CB LEU A 20 10.933 3.210 19.527 1.00 11.14 C +ATOM 72 CG LEU A 20 12.350 2.988 20.083 1.00 13.52 C +ATOM 73 CD1 LEU A 20 13.404 2.988 18.972 1.00 15.83 C +ATOM 74 CD2 LEU A 20 12.663 4.131 21.101 1.00 14.59 C +ATOM 75 N LYS A 21 8.047 4.508 20.004 1.00 11.52 N +ATOM 76 CA LYS A 21 6.820 4.925 19.310 1.00 13.58 C +ATOM 77 C LYS A 21 7.206 5.852 18.196 1.00 14.02 C +ATOM 78 O LYS A 21 8.011 6.745 18.419 1.00 15.14 O +ATOM 79 CB LYS A 21 5.870 5.688 20.252 1.00 15.98 C +ATOM 80 CG LYS A 21 5.379 4.866 21.394 1.00 21.41 C +ATOM 81 CD LYS A 21 4.542 5.672 22.342 1.00 26.81 C +ATOM 82 CE LYS A 21 4.424 4.919 23.627 1.00 29.62 C +ATOM 83 NZ LYS A 21 2.994 4.804 24.013 1.00 32.88 N +ATOM 84 N VAL A 22 6.643 5.696 16.994 1.00 11.30 N +ATOM 85 CA VAL A 22 6.959 6.629 15.908 1.00 11.62 C +ATOM 86 C VAL A 22 5.658 7.423 15.700 1.00 11.49 C +ATOM 87 O VAL A 22 4.638 6.857 15.355 1.00 9.97 O +ATOM 88 CB VAL A 22 7.337 5.837 14.645 1.00 11.95 C +ATOM 89 CG1 VAL A 22 7.684 6.842 13.500 1.00 12.39 C +ATOM 90 CG2 VAL A 22 8.517 4.872 14.990 1.00 14.07 C +ATOM 91 N ALA A 23 5.690 8.733 15.939 1.00 9.60 N +ATOM 92 CA ALA A 23 4.487 9.560 15.889 1.00 11.78 C +ATOM 93 C ALA A 23 4.526 10.465 14.721 1.00 12.04 C +ATOM 94 O ALA A 23 5.394 11.349 14.639 1.00 13.70 O +ATOM 95 CB ALA A 23 4.412 10.365 17.180 1.00 13.06 C +ATOM 96 N GLY A 24 3.581 10.286 13.820 1.00 12.08 N +ATOM 97 CA GLY A 24 3.539 11.130 12.637 1.00 13.66 C +ATOM 98 C GLY A 24 2.868 12.475 12.886 1.00 15.99 C +ATOM 99 O GLY A 24 2.141 12.644 13.854 1.00 15.98 O +ATOM 100 N GLN A 25 3.055 13.434 11.977 1.00 16.27 N +ATOM 101 CA GLN A 25 2.392 14.713 12.169 1.00 19.13 C +ATOM 102 C GLN A 25 0.908 14.528 11.878 1.00 19.04 C +ATOM 103 O GLN A 25 0.098 15.443 12.146 1.00 20.25 O +ATOM 104 CB GLN A 25 3.017 15.808 11.280 1.00 23.01 C +ATOM 105 CG GLN A 25 4.439 16.158 11.766 1.00 24.85 C +ATOM 106 CD GLN A 25 4.621 16.193 13.299 1.00 29.37 C +ATOM 107 OE1 GLN A 25 3.990 17.002 14.003 1.00 30.92 O +ATOM 108 NE2 GLN A 25 5.493 15.294 13.825 1.00 27.76 N +ATOM 109 N ASP A 26 0.554 13.362 11.343 1.00 15.49 N +ATOM 110 CA ASP A 26 -0.847 13.087 11.065 1.00 15.27 C +ATOM 111 C ASP A 26 -1.590 12.461 12.223 1.00 14.95 C +ATOM 112 O ASP A 26 -2.773 12.066 12.074 1.00 16.11 O +ATOM 113 CB ASP A 26 -1.033 12.260 9.812 1.00 17.33 C +ATOM 114 CG ASP A 26 -0.418 10.863 9.905 1.00 14.31 C +ATOM 115 OD1 ASP A 26 -0.441 10.167 8.867 1.00 17.79 O +ATOM 116 OD2 ASP A 26 0.095 10.470 10.983 1.00 13.88 O +ATOM 117 N GLY A 27 -0.917 12.345 13.364 1.00 12.82 N +ATOM 118 CA GLY A 27 -1.596 11.797 14.531 1.00 12.27 C +ATOM 119 C GLY A 27 -1.337 10.315 14.758 1.00 11.30 C +ATOM 120 O GLY A 27 -1.548 9.778 15.838 1.00 11.29 O +ATOM 121 N SER A 28 -0.837 9.650 13.722 1.00 11.97 N +ATOM 122 CA SER A 28 -0.582 8.201 13.849 1.00 10.57 C +ATOM 123 C SER A 28 0.540 7.872 14.839 1.00 10.39 C +ATOM 124 O SER A 28 1.506 8.622 14.970 1.00 11.28 O +ATOM 125 CB SER A 28 -0.235 7.631 12.459 1.00 12.38 C +ATOM 126 OG SER A 28 1.021 8.151 11.997 1.00 15.93 O +ATOM 127 N VAL A 29 0.383 6.774 15.585 1.00 8.60 N +ATOM 128 CA VAL A 29 1.449 6.320 16.507 1.00 10.38 C +ATOM 129 C VAL A 29 1.676 4.835 16.196 1.00 11.08 C +ATOM 130 O VAL A 29 0.754 4.023 16.410 1.00 15.33 O +ATOM 131 CB VAL A 29 1.035 6.485 17.978 1.00 11.50 C +ATOM 132 CG1 VAL A 29 2.203 6.011 18.894 1.00 15.67 C +ATOM 133 CG2 VAL A 29 0.775 7.956 18.261 1.00 12.68 C +ATOM 134 N VAL A 30 2.860 4.499 15.677 1.00 10.49 N +ATOM 135 CA VAL A 30 3.229 3.147 15.276 1.00 12.18 C +ATOM 136 C VAL A 30 4.335 2.642 16.204 1.00 11.74 C +ATOM 137 O VAL A 30 5.257 3.392 16.514 1.00 16.32 O +ATOM 138 CB VAL A 30 3.734 3.179 13.811 1.00 14.66 C +ATOM 139 CG1 VAL A 30 4.223 1.794 13.372 1.00 18.81 C +ATOM 140 CG2 VAL A 30 2.593 3.728 12.901 1.00 17.71 C +ATOM 141 N GLN A 31 4.234 1.392 16.684 1.00 10.85 N +ATOM 142 CA GLN A 31 5.192 0.869 17.672 1.00 11.13 C +ATOM 143 C GLN A 31 6.235 -0.061 17.057 1.00 10.18 C +ATOM 144 O GLN A 31 5.942 -0.771 16.115 1.00 10.24 O +ATOM 145 CB GLN A 31 4.396 0.135 18.776 1.00 16.72 C +ATOM 146 CG GLN A 31 5.137 -0.842 19.694 1.00 25.61 C +ATOM 147 CD GLN A 31 6.127 -0.339 20.812 1.00 28.91 C +ATOM 148 OE1 GLN A 31 6.111 0.804 21.283 1.00 31.74 O +ATOM 149 NE2 GLN A 31 6.960 -1.285 21.269 1.00 26.64 N +ATOM 150 N PHE A 32 7.470 0.044 17.584 1.00 10.23 N +ATOM 151 CA PHE A 32 8.571 -0.794 17.195 1.00 10.14 C +ATOM 152 C PHE A 32 9.271 -1.342 18.428 1.00 9.78 C +ATOM 153 O PHE A 32 9.137 -0.763 19.514 1.00 11.20 O +ATOM 154 CB PHE A 32 9.613 -0.007 16.372 1.00 11.39 C +ATOM 155 CG PHE A 32 9.247 0.140 14.956 1.00 11.32 C +ATOM 156 CD1 PHE A 32 8.331 1.131 14.541 1.00 15.55 C +ATOM 157 CD2 PHE A 32 9.764 -0.756 14.007 1.00 12.87 C +ATOM 158 CE1 PHE A 32 7.947 1.196 13.160 1.00 14.88 C +ATOM 159 CE2 PHE A 32 9.382 -0.683 12.664 1.00 16.00 C +ATOM 160 CZ PHE A 32 8.477 0.283 12.256 1.00 15.02 C +ATOM 161 N LYS A 33 9.948 -2.487 18.270 1.00 9.96 N +ATOM 162 CA LYS A 33 10.743 -2.987 19.407 1.00 11.98 C +ATOM 163 C LYS A 33 12.004 -3.444 18.735 1.00 11.81 C +ATOM 164 O LYS A 33 11.957 -4.354 17.898 1.00 13.65 O +ATOM 165 CB LYS A 33 10.053 -4.153 20.120 1.00 16.26 C +ATOM 166 CG LYS A 33 10.736 -4.456 21.484 1.00 20.22 C +ATOM 167 CD LYS A 33 10.152 -5.717 22.109 1.00 25.31 C +ATOM 168 CE LYS A 33 8.682 -5.566 22.455 1.00 29.34 C +ATOM 169 NZ LYS A 33 8.075 -6.909 22.749 1.00 32.83 N +ATOM 170 N ILE A 34 13.146 -2.845 19.087 1.00 12.09 N +ATOM 171 CA ILE A 34 14.380 -3.302 18.458 1.00 12.49 C +ATOM 172 C ILE A 34 15.469 -3.352 19.542 1.00 13.38 C +ATOM 173 O ILE A 34 15.299 -2.784 20.598 1.00 12.62 O +ATOM 174 CB ILE A 34 14.871 -2.370 17.324 1.00 11.77 C +ATOM 175 CG1 ILE A 34 15.099 -0.972 17.840 1.00 12.29 C +ATOM 176 CG2 ILE A 34 13.871 -2.404 16.115 1.00 13.28 C +ATOM 177 CD1 ILE A 34 15.672 0.036 16.803 1.00 14.02 C +ATOM 178 N LYS A 35 16.591 -4.006 19.268 1.00 11.89 N +ATOM 179 CA LYS A 35 17.657 -4.072 20.283 1.00 11.62 C +ATOM 180 C LYS A 35 18.255 -2.638 20.378 1.00 10.77 C +ATOM 181 O LYS A 35 18.278 -1.867 19.386 1.00 11.36 O +ATOM 182 CB LYS A 35 18.772 -5.071 19.880 1.00 14.60 C +ATOM 183 CG LYS A 35 18.362 -6.536 19.841 1.00 18.05 C +ATOM 184 CD LYS A 35 19.503 -7.366 19.257 1.00 23.52 C +ATOM 185 CE LYS A 35 19.173 -8.849 19.103 1.00 25.86 C +ATOM 186 NZ LYS A 35 20.384 -9.603 18.512 1.00 26.34 N +ATOM 187 N ARG A 36 18.809 -2.305 21.543 1.00 12.24 N +ATOM 188 CA ARG A 36 19.340 -0.969 21.798 1.00 12.52 C +ATOM 189 C ARG A 36 20.502 -0.556 20.845 1.00 11.56 C +ATOM 190 O ARG A 36 20.697 0.624 20.549 1.00 11.78 O +ATOM 191 CB ARG A 36 19.829 -0.961 23.267 1.00 16.03 C +ATOM 192 CG ARG A 36 19.746 0.304 23.975 1.00 22.58 C +ATOM 193 CD ARG A 36 20.084 0.064 25.475 1.00 20.83 C +ATOM 194 NE ARG A 36 21.485 -0.262 25.687 1.00 21.63 N +ATOM 195 CZ ARG A 36 22.393 0.654 26.027 1.00 17.87 C +ATOM 196 NH1 ARG A 36 21.999 1.939 26.168 1.00 18.35 N +ATOM 197 NH2 ARG A 36 23.640 0.269 26.219 1.00 19.94 N +ATOM 198 N HIS A 37 21.237 -1.534 20.301 1.00 12.46 N +ATOM 199 CA HIS A 37 22.354 -1.236 19.405 1.00 10.62 C +ATOM 200 C HIS A 37 22.026 -1.455 17.940 1.00 11.44 C +ATOM 201 O HIS A 37 22.911 -1.529 17.121 1.00 12.16 O +ATOM 202 CB HIS A 37 23.590 -2.073 19.805 1.00 12.79 C +ATOM 203 CG HIS A 37 24.127 -1.722 21.139 1.00 13.27 C +ATOM 204 ND1 HIS A 37 24.834 -0.560 21.365 1.00 15.31 N +ATOM 205 CD2 HIS A 37 24.029 -2.355 22.336 1.00 15.63 C +ATOM 206 CE1 HIS A 37 25.152 -0.492 22.653 1.00 16.27 C +ATOM 207 NE2 HIS A 37 24.679 -1.571 23.260 1.00 15.59 N +ATOM 208 N THR A 38 20.744 -1.555 17.635 1.00 10.88 N +ATOM 209 CA THR A 38 20.347 -1.726 16.224 1.00 10.20 C +ATOM 210 C THR A 38 20.217 -0.392 15.517 1.00 10.37 C +ATOM 211 O THR A 38 19.605 0.535 16.032 1.00 9.98 O +ATOM 212 CB THR A 38 19.009 -2.441 16.203 1.00 9.16 C +ATOM 213 OG1 THR A 38 19.199 -3.736 16.780 1.00 10.35 O +ATOM 214 CG2 THR A 38 18.487 -2.618 14.702 1.00 10.58 C +ATOM 215 N PRO A 39 20.778 -0.273 14.309 1.00 10.00 N +ATOM 216 CA PRO A 39 20.681 0.979 13.540 1.00 10.72 C +ATOM 217 C PRO A 39 19.223 1.294 13.213 1.00 9.89 C +ATOM 218 O PRO A 39 18.457 0.430 12.816 1.00 9.83 O +ATOM 219 CB PRO A 39 21.500 0.692 12.289 1.00 12.36 C +ATOM 220 CG PRO A 39 21.370 -0.818 12.114 1.00 13.90 C +ATOM 221 CD PRO A 39 21.561 -1.281 13.559 1.00 12.49 C +ATOM 222 N LEU A 40 18.888 2.579 13.307 1.00 9.17 N +ATOM 223 CA LEU A 40 17.508 2.974 13.139 1.00 9.77 C +ATOM 224 C LEU A 40 17.074 2.849 11.696 1.00 9.91 C +ATOM 225 O LEU A 40 15.871 2.967 11.406 1.00 10.37 O +ATOM 226 CB LEU A 40 17.262 4.367 13.731 1.00 9.83 C +ATOM 227 CG LEU A 40 17.210 4.258 15.283 1.00 10.84 C +ATOM 228 CD1 LEU A 40 17.611 5.584 16.008 1.00 12.36 C +ATOM 229 CD2 LEU A 40 15.844 3.801 15.690 1.00 11.33 C +ATOM 230 N SER A 41 18.017 2.619 10.784 1.00 10.08 N +ATOM 231 CA SER A 41 17.633 2.325 9.392 1.00 9.83 C +ATOM 232 C SER A 41 16.628 1.157 9.359 1.00 11.23 C +ATOM 233 O SER A 41 15.750 1.106 8.464 1.00 12.63 O +ATOM 234 CB SER A 41 18.885 1.969 8.575 1.00 12.75 C +ATOM 235 OG SER A 41 19.557 0.851 9.167 1.00 16.22 O +ATOM 236 N LYS A 42 16.749 0.236 10.328 1.00 10.31 N +ATOM 237 CA LYS A 42 15.860 -0.918 10.369 1.00 10.03 C +ATOM 238 C LYS A 42 14.419 -0.444 10.523 1.00 11.92 C +ATOM 239 O LYS A 42 13.511 -0.865 9.813 1.00 11.66 O +ATOM 240 CB LYS A 42 16.230 -1.818 11.540 1.00 11.31 C +ATOM 241 CG LYS A 42 15.451 -3.150 11.573 1.00 13.38 C +ATOM 242 CD LYS A 42 15.827 -3.958 12.818 1.00 13.75 C +ATOM 243 CE LYS A 42 15.212 -5.361 12.793 1.00 14.52 C +ATOM 244 NZ LYS A 42 15.814 -6.266 11.742 1.00 16.73 N +ATOM 245 N LEU A 43 14.245 0.453 11.486 1.00 10.06 N +ATOM 246 CA LEU A 43 12.922 1.019 11.779 1.00 9.45 C +ATOM 247 C LEU A 43 12.460 1.942 10.676 1.00 9.46 C +ATOM 248 O LEU A 43 11.296 1.873 10.303 1.00 10.42 O +ATOM 249 CB LEU A 43 13.009 1.775 13.113 1.00 9.22 C +ATOM 250 CG LEU A 43 11.788 2.536 13.627 1.00 9.57 C +ATOM 251 CD1 LEU A 43 11.856 2.643 15.137 1.00 12.49 C +ATOM 252 CD2 LEU A 43 11.733 3.932 13.033 1.00 12.00 C +ATOM 253 N MET A 44 13.357 2.789 10.147 1.00 9.36 N +ATOM 254 CA MET A 44 12.893 3.733 9.133 1.00 9.62 C +ATOM 255 C MET A 44 12.453 3.010 7.868 1.00 13.01 C +ATOM 256 O MET A 44 11.427 3.379 7.282 1.00 13.51 O +ATOM 257 CB MET A 44 13.967 4.765 8.858 1.00 13.56 C +ATOM 258 CG MET A 44 14.232 5.611 10.113 1.00 14.32 C +ATOM 259 SD MET A 44 15.420 6.980 9.768 1.00 17.29 S +ATOM 260 CE MET A 44 16.928 6.082 9.664 1.00 18.74 C +ATOM 261 N LYS A 45 13.206 2.008 7.446 1.00 12.33 N +ATOM 262 CA LYS A 45 12.787 1.268 6.239 1.00 15.01 C +ATOM 263 C LYS A 45 11.467 0.547 6.445 1.00 15.91 C +ATOM 264 O LYS A 45 10.595 0.567 5.563 1.00 16.27 O +ATOM 265 CB LYS A 45 13.844 0.256 5.866 1.00 18.73 C +ATOM 266 CG LYS A 45 15.144 0.904 5.433 1.00 24.56 C +ATOM 267 CD LYS A 45 15.733 0.181 4.204 1.00 28.73 C +ATOM 268 CE LYS A 45 16.051 -1.282 4.490 1.00 30.96 C +ATOM 269 NZ LYS A 45 14.877 -2.213 4.381 1.00 31.41 N +ATOM 270 N ALA A 46 11.324 -0.114 7.585 1.00 14.01 N +ATOM 271 CA ALA A 46 10.103 -0.861 7.933 1.00 13.80 C +ATOM 272 C ALA A 46 8.905 0.063 7.969 1.00 13.56 C +ATOM 273 O ALA A 46 7.841 -0.291 7.473 1.00 13.18 O +ATOM 274 CB ALA A 46 10.263 -1.548 9.316 1.00 15.38 C +ATOM 275 N TYR A 47 9.086 1.226 8.587 1.00 11.29 N +ATOM 276 CA TYR A 47 8.013 2.198 8.724 1.00 11.49 C +ATOM 277 C TYR A 47 7.557 2.657 7.339 1.00 12.97 C +ATOM 278 O TYR A 47 6.331 2.689 7.047 1.00 12.68 O +ATOM 279 CB TYR A 47 8.515 3.377 9.560 1.00 10.40 C +ATOM 280 CG TYR A 47 7.464 4.463 9.780 1.00 10.24 C +ATOM 281 CD1 TYR A 47 6.647 4.430 10.910 1.00 12.39 C +ATOM 282 CD2 TYR A 47 7.334 5.517 8.895 1.00 10.51 C +ATOM 283 CE1 TYR A 47 5.730 5.457 11.177 1.00 14.70 C +ATOM 284 CE2 TYR A 47 6.400 6.545 9.159 1.00 12.87 C +ATOM 285 CZ TYR A 47 5.626 6.492 10.304 1.00 15.64 C +ATOM 286 OH TYR A 47 4.782 7.542 10.603 1.00 14.15 O +ATOM 287 N CYS A 48 8.504 3.001 6.484 1.00 12.63 N +ATOM 288 CA CYS A 48 8.111 3.493 5.144 1.00 16.00 C +ATOM 289 C CYS A 48 7.419 2.368 4.389 1.00 15.27 C +ATOM 290 O CYS A 48 6.373 2.591 3.754 1.00 17.99 O +ATOM 291 CB CYS A 48 9.338 3.979 4.364 1.00 15.13 C +ATOM 292 SG CYS A 48 10.011 5.478 5.028 1.00 17.34 S +ATOM 293 N GLU A 49 7.926 1.146 4.478 1.00 14.97 N +ATOM 294 CA GLU A 49 7.251 0.066 3.746 1.00 17.23 C +ATOM 295 C GLU A 49 5.807 -0.235 4.177 1.00 18.30 C +ATOM 296 O GLU A 49 4.862 -0.356 3.335 1.00 18.90 O +ATOM 297 CB GLU A 49 8.062 -1.220 3.871 1.00 19.85 C +ATOM 298 CG GLU A 49 9.416 -1.098 3.188 1.00 22.89 C +ATOM 299 CD GLU A 49 10.371 -2.217 3.525 1.00 28.48 C +ATOM 300 OE1 GLU A 49 10.062 -3.023 4.429 1.00 29.22 O +ATOM 301 OE2 GLU A 49 11.463 -2.282 2.906 1.00 27.94 O +ATOM 302 N ARG A 50 5.644 -0.366 5.490 1.00 15.98 N +ATOM 303 CA ARG A 50 4.384 -0.716 6.101 1.00 16.53 C +ATOM 304 C ARG A 50 3.331 0.368 6.148 1.00 18.12 C +ATOM 305 O ARG A 50 2.131 0.078 6.108 1.00 17.13 O +ATOM 306 CB ARG A 50 4.656 -1.231 7.497 1.00 17.33 C +ATOM 307 CG ARG A 50 5.338 -2.569 7.487 1.00 15.89 C +ATOM 308 CD ARG A 50 5.940 -2.901 8.886 1.00 16.01 C +ATOM 309 NE ARG A 50 6.476 -4.271 8.977 1.00 16.71 N +ATOM 310 CZ ARG A 50 5.752 -5.362 9.240 1.00 16.89 C +ATOM 311 NH1 ARG A 50 4.446 -5.262 9.449 1.00 17.97 N +ATOM 312 NH2 ARG A 50 6.364 -6.575 9.296 1.00 17.77 N +ATOM 313 N GLN A 51 3.764 1.613 6.272 1.00 17.30 N +ATOM 314 CA GLN A 51 2.792 2.698 6.369 1.00 17.87 C +ATOM 315 C GLN A 51 2.514 3.340 5.002 1.00 19.32 C +ATOM 316 O GLN A 51 1.745 4.318 4.900 1.00 21.29 O +ATOM 317 CB GLN A 51 3.307 3.744 7.357 1.00 18.28 C +ATOM 318 CG GLN A 51 3.546 3.171 8.778 1.00 18.83 C +ATOM 319 CD GLN A 51 2.225 2.836 9.445 1.00 19.10 C +ATOM 320 OE1 GLN A 51 1.341 3.682 9.528 1.00 18.14 O +ATOM 321 NE2 GLN A 51 2.075 1.591 9.914 1.00 20.19 N +ATOM 322 N GLY A 52 3.102 2.776 3.954 1.00 17.66 N +ATOM 323 CA GLY A 52 2.855 3.296 2.615 1.00 20.98 C +ATOM 324 C GLY A 52 3.458 4.657 2.359 1.00 23.34 C +ATOM 325 O GLY A 52 2.863 5.479 1.641 1.00 24.26 O +ATOM 326 N LEU A 53 4.651 4.892 2.896 1.00 23.56 N +ATOM 327 CA LEU A 53 5.331 6.169 2.737 1.00 25.86 C +ATOM 328 C LEU A 53 6.650 5.944 2.021 1.00 27.65 C +ATOM 329 O LEU A 53 7.151 4.818 1.976 1.00 30.18 O +ATOM 330 CB LEU A 53 5.590 6.796 4.101 1.00 26.38 C +ATOM 331 CG LEU A 53 4.317 7.111 4.862 1.00 27.68 C +ATOM 332 CD1 LEU A 53 4.649 7.296 6.333 1.00 28.70 C +ATOM 333 CD2 LEU A 53 3.644 8.358 4.271 1.00 28.69 C +ATOM 334 N SER A 54 7.213 6.988 1.433 1.00 27.64 N +ATOM 335 CA SER A 54 8.505 6.844 0.736 1.00 27.93 C +ATOM 336 C SER A 54 9.535 7.589 1.578 1.00 28.93 C +ATOM 337 O SER A 54 9.212 8.619 2.143 1.00 28.36 O +ATOM 338 CB SER A 54 8.430 7.452 -0.651 1.00 30.15 C +ATOM 339 OG SER A 54 7.564 8.570 -0.682 1.00 33.34 O +ATOM 340 N MET A 55 10.758 7.075 1.663 1.00 27.02 N +ATOM 341 CA MET A 55 11.783 7.677 2.499 1.00 29.28 C +ATOM 342 C MET A 55 12.084 9.116 2.130 1.00 31.11 C +ATOM 343 O MET A 55 12.335 9.966 2.991 1.00 30.59 O +ATOM 344 CB MET A 55 13.056 6.844 2.406 1.00 30.19 C +ATOM 345 CG MET A 55 14.056 7.071 3.471 1.00 31.35 C +ATOM 346 SD MET A 55 13.573 6.202 5.012 1.00 30.93 S +ATOM 347 CE MET A 55 14.261 4.481 4.690 1.00 30.13 C +ATOM 348 N ARG A 56 12.083 9.401 0.837 1.00 30.69 N +ATOM 349 CA ARG A 56 12.390 10.751 0.440 1.00 32.12 C +ATOM 350 C ARG A 56 11.325 11.749 0.834 1.00 31.61 C +ATOM 351 O ARG A 56 11.585 12.944 0.854 1.00 33.67 O +ATOM 352 CB ARG A 56 12.618 10.806 -1.070 1.00 32.98 C +ATOM 353 CG ARG A 56 13.037 12.197 -1.552 1.00 33.76 C +ATOM 354 CD ARG A 56 13.262 12.202 -3.061 1.00 34.27 C +ATOM 355 NE ARG A 56 14.136 11.098 -3.398 1.00 33.04 N +ATOM 356 CZ ARG A 56 15.366 10.954 -2.921 1.00 32.34 C +ATOM 357 NH1 ARG A 56 15.865 11.869 -2.099 1.00 33.87 N +ATOM 358 NH2 ARG A 56 16.060 9.860 -3.192 1.00 30.12 N +ATOM 359 N GLN A 57 10.128 11.286 1.151 1.00 30.90 N +ATOM 360 CA GLN A 57 9.073 12.205 1.511 1.00 32.07 C +ATOM 361 C GLN A 57 8.863 12.393 3.002 1.00 30.43 C +ATOM 362 O GLN A 57 8.092 13.260 3.400 1.00 31.87 O +ATOM 363 CB GLN A 57 7.766 11.789 0.877 1.00 35.17 C +ATOM 364 CG GLN A 57 7.034 10.699 1.587 1.00 39.05 C +ATOM 365 CD GLN A 57 5.696 10.427 0.945 1.00 42.16 C +ATOM 366 OE1 GLN A 57 4.956 11.368 0.627 1.00 44.78 O +ATOM 367 NE2 GLN A 57 5.366 9.150 0.747 1.00 42.60 N +ATOM 368 N ILE A 58 9.512 11.578 3.825 1.00 27.43 N +ATOM 369 CA ILE A 58 9.361 11.763 5.259 1.00 24.44 C +ATOM 370 C ILE A 58 10.702 11.993 5.922 1.00 23.12 C +ATOM 371 O ILE A 58 11.776 11.659 5.375 1.00 22.34 O +ATOM 372 CB ILE A 58 8.614 10.618 5.927 1.00 25.92 C +ATOM 373 CG1 ILE A 58 9.327 9.309 5.701 1.00 26.02 C +ATOM 374 CG2 ILE A 58 7.214 10.503 5.375 1.00 23.13 C +ATOM 375 CD1 ILE A 58 8.713 8.199 6.564 1.00 26.88 C +ATOM 376 N ARG A 59 10.671 12.618 7.089 1.00 19.69 N +ATOM 377 CA ARG A 59 11.897 12.904 7.819 1.00 19.07 C +ATOM 378 C ARG A 59 11.705 12.408 9.248 1.00 16.94 C +ATOM 379 O ARG A 59 10.644 12.642 9.841 1.00 17.27 O +ATOM 380 CB ARG A 59 12.202 14.415 7.853 1.00 22.09 C +ATOM 381 CG ARG A 59 12.469 15.035 6.469 1.00 25.43 C +ATOM 382 CD ARG A 59 13.776 14.514 5.851 1.00 30.68 C +ATOM 383 NE ARG A 59 14.027 14.973 4.469 1.00 34.40 N +ATOM 384 CZ ARG A 59 13.428 14.495 3.370 1.00 36.10 C +ATOM 385 NH1 ARG A 59 12.518 13.535 3.450 1.00 35.63 N +ATOM 386 NH2 ARG A 59 13.758 14.967 2.162 1.00 37.31 N +ATOM 387 N PHE A 60 12.684 11.649 9.761 1.00 15.33 N +ATOM 388 CA PHE A 60 12.606 11.140 11.119 1.00 13.36 C +ATOM 389 C PHE A 60 13.486 11.942 12.032 1.00 15.04 C +ATOM 390 O PHE A 60 14.668 12.153 11.718 1.00 16.27 O +ATOM 391 CB PHE A 60 13.070 9.673 11.220 1.00 12.86 C +ATOM 392 CG PHE A 60 12.249 8.713 10.418 1.00 13.58 C +ATOM 393 CD1 PHE A 60 12.482 8.523 9.050 1.00 13.14 C +ATOM 394 CD2 PHE A 60 11.291 7.934 11.049 1.00 12.98 C +ATOM 395 CE1 PHE A 60 11.760 7.568 8.329 1.00 11.68 C +ATOM 396 CE2 PHE A 60 10.550 6.972 10.333 1.00 13.20 C +ATOM 397 CZ PHE A 60 10.797 6.798 8.959 1.00 11.47 C +ATOM 398 N ARG A 61 12.937 12.370 13.165 1.00 14.09 N +ATOM 399 CA ARG A 61 13.725 13.139 14.129 1.00 16.67 C +ATOM 400 C ARG A 61 13.539 12.621 15.533 1.00 15.32 C +ATOM 401 O ARG A 61 12.506 12.034 15.873 1.00 13.43 O +ATOM 402 CB ARG A 61 13.305 14.608 14.116 1.00 19.68 C +ATOM 403 CG ARG A 61 13.482 15.225 12.747 1.00 24.26 C +ATOM 404 CD ARG A 61 13.351 16.751 12.720 1.00 30.81 C +ATOM 405 NE ARG A 61 13.997 17.235 11.497 1.00 35.81 N +ATOM 406 CZ ARG A 61 15.092 17.980 11.501 1.00 37.55 C +ATOM 407 NH1 ARG A 61 15.629 18.323 12.670 1.00 38.60 N +ATOM 408 NH2 ARG A 61 15.661 18.356 10.356 1.00 39.29 N +ATOM 409 N PHE A 62 14.549 12.861 16.361 1.00 14.14 N +ATOM 410 CA PHE A 62 14.428 12.482 17.770 1.00 14.86 C +ATOM 411 C PHE A 62 14.926 13.674 18.550 1.00 18.54 C +ATOM 412 O PHE A 62 16.060 14.078 18.351 1.00 19.29 O +ATOM 413 CB PHE A 62 15.312 11.309 18.143 1.00 15.28 C +ATOM 414 CG PHE A 62 15.248 10.979 19.596 1.00 16.96 C +ATOM 415 CD1 PHE A 62 16.412 11.020 20.366 1.00 18.46 C +ATOM 416 CD2 PHE A 62 14.021 10.675 20.192 1.00 18.05 C +ATOM 417 CE1 PHE A 62 16.368 10.753 21.747 1.00 19.24 C +ATOM 418 CE2 PHE A 62 13.963 10.409 21.570 1.00 19.55 C +ATOM 419 CZ PHE A 62 15.142 10.448 22.340 1.00 20.76 C +ATOM 420 N ASP A 63 14.083 14.179 19.444 1.00 20.79 N +ATOM 421 CA ASP A 63 14.459 15.324 20.272 1.00 25.21 C +ATOM 422 C ASP A 63 15.035 16.430 19.357 1.00 26.78 C +ATOM 423 O ASP A 63 16.075 17.062 19.646 1.00 28.78 O +ATOM 424 CB ASP A 63 15.437 14.846 21.350 1.00 28.32 C +ATOM 425 CG ASP A 63 15.484 15.779 22.536 1.00 31.72 C +ATOM 426 OD1 ASP A 63 16.473 15.720 23.319 1.00 35.03 O +ATOM 427 OD2 ASP A 63 14.524 16.571 22.675 1.00 32.52 O +ATOM 428 N GLY A 64 14.362 16.612 18.222 1.00 27.84 N +ATOM 429 CA GLY A 64 14.706 17.637 17.240 1.00 28.30 C +ATOM 430 C GLY A 64 15.822 17.415 16.239 1.00 29.26 C +ATOM 431 O GLY A 64 15.992 18.185 15.270 1.00 30.19 O +ATOM 432 N GLN A 65 16.593 16.369 16.457 1.00 27.06 N +ATOM 433 CA GLN A 65 17.693 16.081 15.593 1.00 27.01 C +ATOM 434 C GLN A 65 17.353 15.017 14.574 1.00 24.50 C +ATOM 435 O GLN A 65 16.665 14.045 14.888 1.00 20.44 O +ATOM 436 CB GLN A 65 18.883 15.636 16.440 1.00 30.26 C +ATOM 437 CG GLN A 65 19.548 16.822 17.117 1.00 33.11 C +ATOM 438 CD GLN A 65 19.694 16.724 18.651 1.00 35.96 C +ATOM 439 OE1 GLN A 65 20.341 17.587 19.242 1.00 32.56 O +ATOM 440 NE2 GLN A 65 19.087 15.700 19.290 1.00 35.01 N +ATOM 441 N PRO A 66 17.807 15.187 13.327 1.00 23.15 N +ATOM 442 CA PRO A 66 17.466 14.124 12.391 1.00 23.48 C +ATOM 443 C PRO A 66 18.211 12.842 12.776 1.00 22.22 C +ATOM 444 O PRO A 66 19.291 12.879 13.389 1.00 23.18 O +ATOM 445 CB PRO A 66 17.913 14.667 11.022 1.00 26.02 C +ATOM 446 CG PRO A 66 18.849 15.793 11.357 1.00 24.54 C +ATOM 447 CD PRO A 66 18.272 16.395 12.622 1.00 25.55 C +ATOM 448 N ILE A 67 17.597 11.715 12.463 1.00 18.57 N +ATOM 449 CA ILE A 67 18.185 10.399 12.756 1.00 16.16 C +ATOM 450 C ILE A 67 18.917 9.894 11.522 1.00 16.11 C +ATOM 451 O ILE A 67 18.339 9.853 10.448 1.00 18.55 O +ATOM 452 CB ILE A 67 17.065 9.405 13.106 1.00 15.41 C +ATOM 453 CG1 ILE A 67 16.329 9.925 14.355 1.00 13.74 C +ATOM 454 CG2 ILE A 67 17.648 7.982 13.318 1.00 15.25 C +ATOM 455 CD1 ILE A 67 15.081 9.091 14.759 1.00 13.61 C +ATOM 456 N ASN A 68 20.189 9.536 11.653 1.00 14.59 N +ATOM 457 CA ASN A 68 20.948 8.997 10.530 1.00 15.80 C +ATOM 458 C ASN A 68 20.810 7.464 10.475 1.00 15.10 C +ATOM 459 O ASN A 68 20.449 6.829 11.472 1.00 13.53 O +ATOM 460 CB ASN A 68 22.438 9.299 10.664 1.00 21.34 C +ATOM 461 CG ASN A 68 22.736 10.769 10.674 1.00 26.96 C +ATOM 462 OD1 ASN A 68 22.323 11.507 9.784 1.00 30.25 O +ATOM 463 ND2 ASN A 68 23.465 11.207 11.689 1.00 30.05 N +ATOM 464 N GLU A 69 21.075 6.895 9.291 1.00 13.83 N +ATOM 465 CA GLU A 69 20.968 5.464 9.036 1.00 14.96 C +ATOM 466 C GLU A 69 21.587 4.617 10.129 1.00 14.21 C +ATOM 467 O GLU A 69 20.938 3.666 10.608 1.00 13.54 O +ATOM 468 CB GLU A 69 21.679 5.058 7.704 1.00 17.42 C +ATOM 469 CG GLU A 69 21.862 3.534 7.529 1.00 19.90 C +ATOM 470 CD GLU A 69 23.061 3.121 6.605 1.00 21.39 C +ATOM 471 OE1 GLU A 69 23.679 3.992 5.957 1.00 24.29 O +ATOM 472 OE2 GLU A 69 23.381 1.919 6.576 1.00 19.57 O +ATOM 473 N THR A 70 22.822 4.963 10.532 1.00 13.96 N +ATOM 474 CA THR A 70 23.473 4.085 11.481 1.00 12.52 C +ATOM 475 C THR A 70 23.371 4.519 12.923 1.00 13.24 C +ATOM 476 O THR A 70 24.018 3.922 13.774 1.00 14.57 O +ATOM 477 CB THR A 70 24.936 3.895 11.156 1.00 14.51 C +ATOM 478 OG1 THR A 70 25.538 5.172 11.142 1.00 15.21 O +ATOM 479 CG2 THR A 70 25.155 3.235 9.797 1.00 14.96 C +ATOM 480 N ASP A 71 22.553 5.520 13.206 1.00 12.67 N +ATOM 481 CA ASP A 71 22.320 5.923 14.584 1.00 12.80 C +ATOM 482 C ASP A 71 21.538 4.803 15.220 1.00 11.80 C +ATOM 483 O ASP A 71 20.697 4.168 14.608 1.00 12.86 O +ATOM 484 CB ASP A 71 21.455 7.172 14.651 1.00 12.81 C +ATOM 485 CG ASP A 71 22.217 8.454 14.329 1.00 17.16 C +ATOM 486 OD1 ASP A 71 21.525 9.469 14.087 1.00 14.35 O +ATOM 487 OD2 ASP A 71 23.490 8.447 14.337 1.00 19.60 O +ATOM 488 N THR A 72 21.858 4.504 16.469 1.00 12.09 N +ATOM 489 CA THR A 72 21.121 3.487 17.193 1.00 9.98 C +ATOM 490 C THR A 72 20.416 4.108 18.415 1.00 9.36 C +ATOM 491 O THR A 72 20.755 5.229 18.849 1.00 10.62 O +ATOM 492 CB THR A 72 22.060 2.393 17.744 1.00 10.12 C +ATOM 493 OG1 THR A 72 22.886 2.940 18.800 1.00 11.49 O +ATOM 494 CG2 THR A 72 22.943 1.880 16.629 1.00 9.86 C +ATOM 495 N PRO A 73 19.382 3.428 18.950 1.00 8.06 N +ATOM 496 CA PRO A 73 18.731 4.019 20.131 1.00 9.45 C +ATOM 497 C PRO A 73 19.743 4.296 21.237 1.00 10.21 C +ATOM 498 O PRO A 73 19.723 5.338 21.889 1.00 12.41 O +ATOM 499 CB PRO A 73 17.743 2.933 20.587 1.00 10.39 C +ATOM 500 CG PRO A 73 17.344 2.288 19.263 1.00 10.53 C +ATOM 501 CD PRO A 73 18.633 2.264 18.425 1.00 9.88 C +ATOM 502 N ALA A 74 20.678 3.369 21.443 1.00 10.97 N +ATOM 503 CA ALA A 74 21.674 3.574 22.501 1.00 10.18 C +ATOM 504 C ALA A 74 22.573 4.795 22.219 1.00 9.55 C +ATOM 505 O ALA A 74 22.895 5.620 23.107 1.00 9.84 O +ATOM 506 CB ALA A 74 22.521 2.330 22.626 1.00 9.44 C +ATOM 507 N GLN A 75 23.004 4.923 20.969 1.00 8.17 N +ATOM 508 CA GLN A 75 23.841 6.041 20.612 1.00 10.95 C +ATOM 509 C GLN A 75 23.137 7.373 20.782 1.00 11.41 C +ATOM 510 O GLN A 75 23.756 8.369 21.147 1.00 12.80 O +ATOM 511 CB GLN A 75 24.271 5.898 19.172 1.00 13.56 C +ATOM 512 CG GLN A 75 25.276 6.963 18.750 1.00 19.71 C +ATOM 513 CD GLN A 75 25.949 6.617 17.449 1.00 25.68 C +ATOM 514 OE1 GLN A 75 26.813 5.708 17.375 1.00 30.55 O +ATOM 515 NE2 GLN A 75 25.564 7.311 16.405 1.00 27.70 N +ATOM 516 N LEU A 76 21.830 7.404 20.515 1.00 11.19 N +ATOM 517 CA LEU A 76 21.089 8.647 20.648 1.00 11.99 C +ATOM 518 C LEU A 76 20.588 8.859 22.076 1.00 11.91 C +ATOM 519 O LEU A 76 19.886 9.830 22.354 1.00 15.10 O +ATOM 520 CB LEU A 76 19.909 8.696 19.636 1.00 12.22 C +ATOM 521 CG LEU A 76 20.348 8.752 18.184 1.00 13.91 C +ATOM 522 CD1 LEU A 76 19.092 8.788 17.293 1.00 15.42 C +ATOM 523 CD2 LEU A 76 21.221 9.997 17.986 1.00 15.78 C +ATOM 524 N GLU A 77 20.949 7.942 22.974 1.00 11.11 N +ATOM 525 CA GLU A 77 20.578 8.006 24.385 1.00 12.71 C +ATOM 526 C GLU A 77 19.062 7.953 24.571 1.00 14.72 C +ATOM 527 O GLU A 77 18.439 8.598 25.426 1.00 16.15 O +ATOM 528 CB GLU A 77 21.264 9.231 25.084 1.00 11.11 C +ATOM 529 CG GLU A 77 22.834 9.201 24.879 1.00 14.64 C +ATOM 530 CD GLU A 77 23.625 10.120 25.813 1.00 16.30 C +ATOM 531 OE1 GLU A 77 24.587 9.629 26.452 1.00 14.33 O +ATOM 532 OE2 GLU A 77 23.267 11.315 25.890 1.00 17.34 O +ATOM 533 N MET A 78 18.428 7.163 23.699 1.00 12.66 N +ATOM 534 CA MET A 78 17.014 6.894 23.865 1.00 15.49 C +ATOM 535 C MET A 78 16.741 5.974 25.061 1.00 16.67 C +ATOM 536 O MET A 78 17.588 5.148 25.504 1.00 18.94 O +ATOM 537 CB MET A 78 16.493 6.201 22.627 1.00 13.02 C +ATOM 538 CG MET A 78 16.442 7.131 21.439 1.00 12.40 C +ATOM 539 SD MET A 78 15.791 6.194 19.983 1.00 14.65 S +ATOM 540 CE MET A 78 15.840 7.436 18.764 1.00 18.01 C +ATOM 541 N GLU A 79 15.530 6.103 25.581 1.00 15.77 N +ATOM 542 CA GLU A 79 15.065 5.294 26.697 1.00 18.69 C +ATOM 543 C GLU A 79 13.829 4.562 26.232 1.00 18.67 C +ATOM 544 O GLU A 79 13.181 4.943 25.251 1.00 18.37 O +ATOM 545 CB GLU A 79 14.667 6.157 27.918 1.00 21.92 C +ATOM 546 CG GLU A 79 15.766 7.034 28.561 1.00 27.84 C +ATOM 547 CD GLU A 79 16.738 6.253 29.428 1.00 29.44 C +ATOM 548 OE1 GLU A 79 16.406 5.136 29.839 1.00 31.70 O +ATOM 549 OE2 GLU A 79 17.850 6.767 29.706 1.00 33.73 O +ATOM 550 N ASP A 80 13.514 3.479 26.932 1.00 18.75 N +ATOM 551 CA ASP A 80 12.348 2.671 26.621 1.00 17.81 C +ATOM 552 C ASP A 80 11.121 3.608 26.575 1.00 17.37 C +ATOM 553 O ASP A 80 10.964 4.509 27.413 1.00 16.12 O +ATOM 554 CB ASP A 80 12.205 1.612 27.729 1.00 20.82 C +ATOM 555 CG ASP A 80 11.235 0.526 27.384 1.00 23.86 C +ATOM 556 OD1 ASP A 80 11.263 0.056 26.242 1.00 22.11 O +ATOM 557 OD2 ASP A 80 10.454 0.107 28.262 1.00 26.54 O +ATOM 558 N GLU A 81 10.255 3.356 25.592 1.00 16.04 N +ATOM 559 CA GLU A 81 9.041 4.129 25.319 1.00 17.35 C +ATOM 560 C GLU A 81 9.248 5.571 24.821 1.00 14.73 C +ATOM 561 O GLU A 81 8.322 6.396 24.844 1.00 18.02 O +ATOM 562 CB GLU A 81 8.097 4.093 26.536 1.00 19.68 C +ATOM 563 CG GLU A 81 7.648 2.652 26.883 1.00 26.49 C +ATOM 564 CD GLU A 81 6.845 1.946 25.793 1.00 28.26 C +ATOM 565 OE1 GLU A 81 6.691 0.705 25.891 1.00 31.19 O +ATOM 566 OE2 GLU A 81 6.368 2.594 24.831 1.00 29.92 O +ATOM 567 N ASP A 82 10.449 5.877 24.311 1.00 13.65 N +ATOM 568 CA ASP A 82 10.665 7.197 23.756 1.00 12.39 C +ATOM 569 C ASP A 82 9.903 7.276 22.426 1.00 12.63 C +ATOM 570 O ASP A 82 9.540 6.252 21.831 1.00 13.64 O +ATOM 571 CB ASP A 82 12.158 7.453 23.479 1.00 13.87 C +ATOM 572 CG ASP A 82 12.823 8.252 24.571 1.00 16.53 C +ATOM 573 OD1 ASP A 82 12.099 8.886 25.350 1.00 18.10 O +ATOM 574 OD2 ASP A 82 14.062 8.242 24.637 1.00 17.24 O +ATOM 575 N THR A 83 9.694 8.505 21.969 1.00 12.34 N +ATOM 576 CA THR A 83 8.974 8.763 20.707 1.00 13.30 C +ATOM 577 C THR A 83 9.872 9.396 19.659 1.00 11.83 C +ATOM 578 O THR A 83 10.676 10.310 19.934 1.00 13.27 O +ATOM 579 CB THR A 83 7.822 9.746 20.922 1.00 16.42 C +ATOM 580 OG1 THR A 83 6.879 9.175 21.811 1.00 19.56 O +ATOM 581 CG2 THR A 83 7.088 10.027 19.612 1.00 17.01 C +ATOM 582 N ILE A 84 9.803 8.842 18.462 1.00 9.99 N +ATOM 583 CA ILE A 84 10.486 9.407 17.319 1.00 10.07 C +ATOM 584 C ILE A 84 9.415 10.186 16.547 1.00 11.06 C +ATOM 585 O ILE A 84 8.310 9.701 16.358 1.00 12.25 O +ATOM 586 CB ILE A 84 11.042 8.251 16.427 1.00 10.89 C +ATOM 587 CG1 ILE A 84 12.259 7.613 17.138 1.00 10.85 C +ATOM 588 CG2 ILE A 84 11.378 8.775 14.990 1.00 12.32 C +ATOM 589 CD1 ILE A 84 12.612 6.232 16.567 1.00 11.86 C +ATOM 590 N ASP A 85 9.721 11.403 16.129 1.00 11.40 N +ATOM 591 CA ASP A 85 8.778 12.198 15.345 1.00 12.85 C +ATOM 592 C ASP A 85 8.988 12.058 13.843 1.00 13.46 C +ATOM 593 O ASP A 85 10.128 11.981 13.355 1.00 14.29 O +ATOM 594 CB ASP A 85 8.914 13.662 15.721 1.00 14.38 C +ATOM 595 CG ASP A 85 8.689 13.882 17.167 1.00 18.93 C +ATOM 596 OD1 ASP A 85 9.653 14.287 17.852 1.00 22.59 O +ATOM 597 OD2 ASP A 85 7.570 13.637 17.612 1.00 22.71 O +ATOM 598 N VAL A 86 7.887 11.975 13.105 1.00 13.49 N +ATOM 599 CA VAL A 86 7.930 11.867 11.639 1.00 15.32 C +ATOM 600 C VAL A 86 7.228 13.062 11.004 1.00 18.26 C +ATOM 601 O VAL A 86 6.134 13.427 11.422 1.00 19.16 O +ATOM 602 CB VAL A 86 7.220 10.558 11.169 1.00 14.38 C +ATOM 603 CG1 VAL A 86 6.911 10.596 9.670 1.00 20.15 C +ATOM 604 CG2 VAL A 86 8.157 9.381 11.449 1.00 18.19 C +ATOM 605 N PHE A 87 7.896 13.699 10.042 1.00 17.80 N +ATOM 606 CA PHE A 87 7.309 14.848 9.330 1.00 22.85 C +ATOM 607 C PHE A 87 7.199 14.429 7.875 1.00 26.23 C +ATOM 608 O PHE A 87 8.077 13.721 7.389 1.00 22.08 O +ATOM 609 CB PHE A 87 8.223 16.062 9.408 1.00 24.58 C +ATOM 610 CG PHE A 87 8.446 16.536 10.784 1.00 26.54 C +ATOM 611 CD1 PHE A 87 9.385 15.917 11.605 1.00 27.22 C +ATOM 612 CD2 PHE A 87 7.666 17.586 11.301 1.00 29.51 C +ATOM 613 CE1 PHE A 87 9.553 16.328 12.933 1.00 29.82 C +ATOM 614 CE2 PHE A 87 7.822 18.010 12.634 1.00 30.96 C +ATOM 615 CZ PHE A 87 8.768 17.378 13.449 1.00 30.62 C +ATOM 616 N GLN A 88 6.121 14.849 7.191 1.00 30.18 N +ATOM 617 CA GLN A 88 5.973 14.528 5.762 1.00 36.37 C +ATOM 618 C GLN A 88 6.504 15.712 4.916 1.00 39.41 C +ATOM 619 O GLN A 88 6.256 16.868 5.234 1.00 39.74 O +ATOM 620 CB GLN A 88 4.507 14.252 5.396 1.00 39.28 C +ATOM 621 CG GLN A 88 3.956 12.854 5.810 1.00 42.39 C +ATOM 622 CD GLN A 88 3.257 12.113 4.635 1.00 44.83 C +ATOM 623 OE1 GLN A 88 3.879 11.324 3.915 1.00 45.61 O +ATOM 624 NE2 GLN A 88 1.970 12.389 4.439 1.00 45.30 N +ATOM 625 N GLN A 89 7.236 15.409 3.844 1.00 41.68 N +ATOM 626 CA GLN A 89 7.820 16.426 2.961 1.00 43.74 C +ATOM 627 C GLN A 89 7.238 16.453 1.553 1.00 44.15 C +ATOM 628 O GLN A 89 7.598 17.398 0.814 1.00 44.69 O +ATOM 629 CB GLN A 89 9.323 16.196 2.885 1.00 45.93 C +ATOM 630 CG GLN A 89 9.901 16.004 4.248 1.00 48.24 C +ATOM 631 CD GLN A 89 9.687 17.230 5.096 1.00 50.01 C +ATOM 632 OE1 GLN A 89 10.455 18.193 5.011 1.00 51.71 O +ATOM 633 NE2 GLN A 89 8.624 17.223 5.904 1.00 50.73 N Added: SwiftApps/modFTdock/input/1xed-3.pdb =================================================================== --- SwiftApps/modFTdock/input/1xed-3.pdb (rev 0) +++ SwiftApps/modFTdock/input/1xed-3.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,803 @@ +ATOM 1 N PRO C 3 51.577 34.692 0.042 1.00 54.26 N +ATOM 2 CA PRO C 3 51.458 33.380 -0.646 1.00 53.56 C +ATOM 3 C PRO C 3 50.077 33.216 -1.288 1.00 52.92 C +ATOM 4 O PRO C 3 49.945 32.668 -2.387 1.00 52.82 O +ATOM 5 CB PRO C 3 51.686 32.302 0.407 1.00 52.62 C +ATOM 6 CG PRO C 3 52.464 33.065 1.480 1.00 53.63 C +ATOM 7 CD PRO C 3 51.872 34.483 1.471 1.00 54.43 C +ATOM 8 N ILE C 4 49.054 33.699 -0.589 1.00 51.37 N +ATOM 9 CA ILE C 4 47.670 33.617 -1.052 1.00 48.12 C +ATOM 10 C ILE C 4 47.172 35.036 -1.317 1.00 48.50 C +ATOM 11 O ILE C 4 46.968 35.802 -0.373 1.00 51.07 O +ATOM 12 CB ILE C 4 46.785 32.977 0.031 1.00 44.85 C +ATOM 13 CG1 ILE C 4 47.598 31.927 0.790 1.00 42.52 C +ATOM 14 CG2 ILE C 4 45.567 32.332 -0.606 1.00 43.27 C +ATOM 15 CD1 ILE C 4 46.914 31.370 1.997 1.00 41.35 C +ATOM 16 N PHE C 5 46.987 35.380 -2.592 1.00 46.01 N +ATOM 17 CA PHE C 5 46.526 36.711 -2.991 1.00 45.02 C +ATOM 18 C PHE C 5 45.146 36.685 -3.656 1.00 44.68 C +ATOM 19 O PHE C 5 44.769 35.708 -4.296 1.00 43.90 O +ATOM 20 CB PHE C 5 47.553 37.347 -3.944 1.00 49.35 C +ATOM 21 CG PHE C 5 46.939 38.125 -5.091 1.00 54.26 C +ATOM 22 CD1 PHE C 5 46.299 39.345 -4.872 1.00 57.29 C +ATOM 23 CD2 PHE C 5 46.981 37.620 -6.392 1.00 56.20 C +ATOM 24 CE1 PHE C 5 45.706 40.047 -5.935 1.00 59.85 C +ATOM 25 CE2 PHE C 5 46.393 38.314 -7.460 1.00 57.63 C +ATOM 26 CZ PHE C 5 45.754 39.527 -7.230 1.00 58.85 C +ATOM 27 N GLY C 6 44.407 37.781 -3.507 1.00 43.88 N +ATOM 28 CA GLY C 6 43.083 37.905 -4.093 1.00 42.53 C +ATOM 29 C GLY C 6 42.582 39.337 -3.981 1.00 41.83 C +ATOM 30 O GLY C 6 43.389 40.251 -3.776 1.00 41.70 O +ATOM 31 N PRO C 7 41.260 39.570 -4.104 1.00 39.44 N +ATOM 32 CA PRO C 7 40.664 40.907 -4.014 1.00 37.91 C +ATOM 33 C PRO C 7 40.451 41.283 -2.559 1.00 37.29 C +ATOM 34 O PRO C 7 39.603 40.702 -1.888 1.00 37.86 O +ATOM 35 CB PRO C 7 39.327 40.759 -4.739 1.00 39.02 C +ATOM 36 CG PRO C 7 39.257 39.291 -5.179 1.00 42.16 C +ATOM 37 CD PRO C 7 40.213 38.559 -4.301 1.00 39.32 C +ATOM 38 N GLU C 8 41.209 42.255 -2.069 1.00 39.11 N +ATOM 39 CA GLU C 8 41.075 42.666 -0.681 1.00 38.90 C +ATOM 40 C GLU C 8 39.652 43.143 -0.405 1.00 38.31 C +ATOM 41 O GLU C 8 39.125 42.951 0.692 1.00 35.12 O +ATOM 42 CB GLU C 8 42.082 43.767 -0.353 1.00 42.85 C +ATOM 43 CG GLU C 8 42.703 43.625 1.027 1.00 54.51 C +ATOM 44 CD GLU C 8 44.235 43.662 1.000 1.00 60.84 C +ATOM 45 OE1 GLU C 8 44.853 42.799 0.333 1.00 62.68 O +ATOM 46 OE2 GLU C 8 44.822 44.557 1.650 1.00 63.69 O +ATOM 47 N GLU C 9 39.027 43.753 -1.407 1.00 38.23 N +ATOM 48 CA GLU C 9 37.665 44.254 -1.260 1.00 39.25 C +ATOM 49 C GLU C 9 36.897 44.068 -2.566 1.00 37.80 C +ATOM 50 O GLU C 9 37.440 44.280 -3.647 1.00 38.73 O +ATOM 51 CB GLU C 9 37.701 45.735 -0.870 1.00 41.62 C +ATOM 52 CG GLU C 9 38.755 46.047 0.182 1.00 49.01 C +ATOM 53 CD GLU C 9 38.797 47.506 0.580 1.00 54.30 C +ATOM 54 OE1 GLU C 9 38.717 48.376 -0.315 1.00 57.84 O +ATOM 55 OE2 GLU C 9 38.928 47.783 1.793 1.00 59.45 O +ATOM 56 N VAL C 10 35.636 43.661 -2.452 1.00 34.82 N +ATOM 57 CA VAL C 10 34.767 43.435 -3.604 1.00 31.96 C +ATOM 58 C VAL C 10 33.429 44.112 -3.339 1.00 33.23 C +ATOM 59 O VAL C 10 32.799 43.873 -2.310 1.00 34.45 O +ATOM 60 CB VAL C 10 34.491 41.929 -3.810 1.00 28.88 C +ATOM 61 CG1 VAL C 10 33.683 41.713 -5.072 1.00 22.74 C +ATOM 62 CG2 VAL C 10 35.794 41.169 -3.868 1.00 29.24 C +ATOM 63 N ASN C 11 32.992 44.955 -4.265 1.00 34.71 N +ATOM 64 CA ASN C 11 31.721 45.653 -4.107 1.00 35.76 C +ATOM 65 C ASN C 11 30.809 45.204 -5.226 1.00 33.20 C +ATOM 66 O ASN C 11 31.259 45.000 -6.344 1.00 33.60 O +ATOM 67 CB ASN C 11 31.902 47.177 -4.218 1.00 36.10 C +ATOM 68 CG ASN C 11 33.097 47.700 -3.427 1.00 38.67 C +ATOM 69 OD1 ASN C 11 33.204 47.498 -2.214 1.00 37.79 O +ATOM 70 ND2 ASN C 11 33.997 48.388 -4.118 1.00 34.62 N +ATOM 71 N SER C 12 29.529 45.055 -4.924 1.00 32.76 N +ATOM 72 CA SER C 12 28.562 44.647 -5.923 1.00 33.87 C +ATOM 73 C SER C 12 27.212 45.262 -5.574 1.00 35.29 C +ATOM 74 O SER C 12 27.080 45.972 -4.569 1.00 37.86 O +ATOM 75 CB SER C 12 28.466 43.121 -5.968 1.00 35.69 C +ATOM 76 OG SER C 12 27.763 42.681 -7.119 1.00 38.76 O +ATOM 77 N VAL C 13 26.223 45.011 -6.424 1.00 33.83 N +ATOM 78 CA VAL C 13 24.886 45.536 -6.207 1.00 33.41 C +ATOM 79 C VAL C 13 23.937 44.372 -6.026 1.00 33.41 C +ATOM 80 O VAL C 13 24.028 43.372 -6.739 1.00 34.41 O +ATOM 81 CB VAL C 13 24.406 46.377 -7.394 1.00 33.08 C +ATOM 82 CG1 VAL C 13 23.076 47.008 -7.055 1.00 31.77 C +ATOM 83 CG2 VAL C 13 25.436 47.442 -7.737 1.00 33.91 C +ATOM 84 N GLU C 14 23.025 44.509 -5.072 1.00 32.00 N +ATOM 85 CA GLU C 14 22.069 43.455 -4.786 1.00 33.55 C +ATOM 86 C GLU C 14 21.362 42.972 -6.047 1.00 30.58 C +ATOM 87 O GLU C 14 20.883 43.768 -6.849 1.00 32.32 O +ATOM 88 CB GLU C 14 21.045 43.944 -3.761 1.00 35.19 C +ATOM 89 CG GLU C 14 20.196 42.831 -3.171 1.00 36.34 C +ATOM 90 CD GLU C 14 19.526 43.247 -1.884 1.00 36.74 C +ATOM 91 OE1 GLU C 14 19.016 42.364 -1.163 1.00 39.85 O +ATOM 92 OE2 GLU C 14 19.511 44.458 -1.595 1.00 39.20 O +ATOM 93 N GLY C 15 21.314 41.659 -6.221 1.00 28.06 N +ATOM 94 CA GLY C 15 20.660 41.105 -7.385 1.00 26.56 C +ATOM 95 C GLY C 15 21.621 40.650 -8.457 1.00 26.56 C +ATOM 96 O GLY C 15 21.236 39.908 -9.361 1.00 26.66 O +ATOM 97 N ASN C 16 22.872 41.089 -8.363 1.00 26.46 N +ATOM 98 CA ASN C 16 23.877 40.710 -9.349 1.00 26.56 C +ATOM 99 C ASN C 16 24.633 39.441 -8.979 1.00 25.74 C +ATOM 100 O ASN C 16 24.386 38.825 -7.940 1.00 24.56 O +ATOM 101 CB ASN C 16 24.900 41.834 -9.543 1.00 25.38 C +ATOM 102 CG ASN C 16 24.339 43.016 -10.295 1.00 26.36 C +ATOM 103 OD1 ASN C 16 23.266 42.933 -10.903 1.00 27.42 O +ATOM 104 ND2 ASN C 16 25.070 44.131 -10.271 1.00 23.57 N +ATOM 105 N SER C 17 25.557 39.065 -9.859 1.00 25.12 N +ATOM 106 CA SER C 17 26.414 37.908 -9.652 1.00 23.74 C +ATOM 107 C SER C 17 27.829 38.478 -9.609 1.00 24.61 C +ATOM 108 O SER C 17 28.117 39.476 -10.280 1.00 22.26 O +ATOM 109 CB SER C 17 26.292 36.934 -10.823 1.00 25.86 C +ATOM 110 OG SER C 17 24.944 36.546 -11.022 1.00 25.26 O +ATOM 111 N VAL C 18 28.704 37.866 -8.820 1.00 18.89 N +ATOM 112 CA VAL C 18 30.083 38.322 -8.725 1.00 18.68 C +ATOM 113 C VAL C 18 31.005 37.097 -8.707 1.00 20.28 C +ATOM 114 O VAL C 18 30.583 36.002 -8.341 1.00 21.58 O +ATOM 115 CB VAL C 18 30.292 39.193 -7.446 1.00 19.26 C +ATOM 116 CG1 VAL C 18 30.364 38.320 -6.216 1.00 16.41 C +ATOM 117 CG2 VAL C 18 31.541 40.054 -7.589 1.00 20.18 C +ATOM 118 N SER C 19 32.246 37.281 -9.147 1.00 21.87 N +ATOM 119 CA SER C 19 33.249 36.212 -9.174 1.00 22.15 C +ATOM 120 C SER C 19 34.475 36.706 -8.400 1.00 25.79 C +ATOM 121 O SER C 19 34.923 37.845 -8.607 1.00 26.57 O +ATOM 122 CB SER C 19 33.675 35.888 -10.614 1.00 18.81 C +ATOM 123 OG SER C 19 32.599 35.422 -11.406 1.00 20.26 O +ATOM 124 N ILE C 20 35.011 35.859 -7.519 1.00 24.34 N +ATOM 125 CA ILE C 20 36.184 36.209 -6.730 1.00 25.46 C +ATOM 126 C ILE C 20 37.298 35.214 -7.027 1.00 24.53 C +ATOM 127 O ILE C 20 37.130 34.004 -6.872 1.00 27.31 O +ATOM 128 CB ILE C 20 35.821 36.258 -5.240 1.00 25.29 C +ATOM 129 CG1 ILE C 20 34.559 37.117 -5.072 1.00 26.15 C +ATOM 130 CG2 ILE C 20 36.957 36.875 -4.447 1.00 25.46 C +ATOM 131 CD1 ILE C 20 34.035 37.202 -3.662 1.00 31.28 C +ATOM 132 N THR C 21 38.431 35.736 -7.488 1.00 24.46 N +ATOM 133 CA THR C 21 39.554 34.889 -7.856 1.00 24.56 C +ATOM 134 C THR C 21 40.721 35.000 -6.902 1.00 27.97 C +ATOM 135 O THR C 21 41.218 36.092 -6.628 1.00 26.66 O +ATOM 136 CB THR C 21 40.046 35.214 -9.269 1.00 24.51 C +ATOM 137 OG1 THR C 21 38.922 35.250 -10.157 1.00 25.19 O +ATOM 138 CG2 THR C 21 41.038 34.149 -9.747 1.00 21.87 C +ATOM 139 N CYS C 22 41.156 33.852 -6.398 1.00 28.21 N +ATOM 140 CA CYS C 22 42.274 33.815 -5.479 1.00 30.09 C +ATOM 141 C CYS C 22 43.436 33.017 -6.070 1.00 28.17 C +ATOM 142 O CYS C 22 43.240 31.980 -6.702 1.00 27.95 O +ATOM 143 CB CYS C 22 41.807 33.246 -4.136 1.00 32.66 C +ATOM 144 SG CYS C 22 40.885 34.450 -3.111 1.00 30.11 S +ATOM 145 N TYR C 23 44.645 33.533 -5.882 1.00 30.09 N +ATOM 146 CA TYR C 23 45.847 32.901 -6.407 1.00 28.27 C +ATOM 147 C TYR C 23 46.698 32.277 -5.323 1.00 28.22 C +ATOM 148 O TYR C 23 46.768 32.777 -4.200 1.00 29.05 O +ATOM 149 CB TYR C 23 46.683 33.916 -7.179 1.00 29.68 C +ATOM 150 CG TYR C 23 45.971 34.487 -8.378 1.00 30.05 C +ATOM 151 CD1 TYR C 23 44.845 35.290 -8.231 1.00 31.03 C +ATOM 152 CD2 TYR C 23 46.425 34.225 -9.660 1.00 32.88 C +ATOM 153 CE1 TYR C 23 44.190 35.819 -9.341 1.00 33.34 C +ATOM 154 CE2 TYR C 23 45.780 34.746 -10.776 1.00 32.61 C +ATOM 155 CZ TYR C 23 44.665 35.541 -10.614 1.00 33.32 C +ATOM 156 OH TYR C 23 44.036 36.058 -11.730 1.00 30.04 O +ATOM 157 N TYR C 24 47.336 31.169 -5.673 1.00 26.99 N +ATOM 158 CA TYR C 24 48.206 30.449 -4.753 1.00 28.84 C +ATOM 159 C TYR C 24 49.373 29.849 -5.543 1.00 30.68 C +ATOM 160 O TYR C 24 49.323 29.760 -6.773 1.00 28.32 O +ATOM 161 CB TYR C 24 47.419 29.345 -4.013 1.00 25.68 C +ATOM 162 CG TYR C 24 46.883 28.225 -4.888 1.00 25.02 C +ATOM 163 CD1 TYR C 24 47.729 27.236 -5.388 1.00 23.06 C +ATOM 164 CD2 TYR C 24 45.524 28.164 -5.229 1.00 27.92 C +ATOM 165 CE1 TYR C 24 47.243 26.209 -6.211 1.00 26.25 C +ATOM 166 CE2 TYR C 24 45.021 27.137 -6.055 1.00 28.57 C +ATOM 167 CZ TYR C 24 45.890 26.165 -6.543 1.00 26.69 C +ATOM 168 OH TYR C 24 45.421 25.163 -7.373 1.00 28.41 O +ATOM 169 N PRO C 25 50.448 29.449 -4.850 1.00 31.57 N +ATOM 170 CA PRO C 25 51.608 28.859 -5.534 1.00 33.85 C +ATOM 171 C PRO C 25 51.211 27.523 -6.168 1.00 33.82 C +ATOM 172 O PRO C 25 50.881 26.571 -5.461 1.00 35.36 O +ATOM 173 CB PRO C 25 52.617 28.683 -4.401 1.00 36.15 C +ATOM 174 CG PRO C 25 52.262 29.808 -3.450 1.00 36.76 C +ATOM 175 CD PRO C 25 50.751 29.704 -3.431 1.00 34.81 C +ATOM 176 N PRO C 26 51.243 27.434 -7.510 1.00 33.14 N +ATOM 177 CA PRO C 26 50.869 26.198 -8.200 1.00 33.20 C +ATOM 178 C PRO C 26 51.851 25.047 -8.009 1.00 34.21 C +ATOM 179 O PRO C 26 52.190 24.343 -8.958 1.00 35.21 O +ATOM 180 CB PRO C 26 50.768 26.642 -9.650 1.00 30.65 C +ATOM 181 CG PRO C 26 51.875 27.616 -9.740 1.00 32.52 C +ATOM 182 CD PRO C 26 51.710 28.440 -8.478 1.00 31.81 C +ATOM 183 N THR C 27 52.313 24.866 -6.779 1.00 32.86 N +ATOM 184 CA THR C 27 53.222 23.779 -6.482 1.00 34.52 C +ATOM 185 C THR C 27 52.385 22.510 -6.589 1.00 37.48 C +ATOM 186 O THR C 27 51.151 22.567 -6.557 1.00 37.40 O +ATOM 187 CB THR C 27 53.777 23.878 -5.061 1.00 32.60 C +ATOM 188 OG1 THR C 27 52.766 23.485 -4.127 1.00 33.97 O +ATOM 189 CG2 THR C 27 54.212 25.298 -4.761 1.00 32.54 C +ATOM 190 N SER C 28 53.063 21.374 -6.714 1.00 38.85 N +ATOM 191 CA SER C 28 52.419 20.071 -6.847 1.00 39.12 C +ATOM 192 C SER C 28 51.387 19.783 -5.759 1.00 38.92 C +ATOM 193 O SER C 28 50.257 19.395 -6.049 1.00 38.47 O +ATOM 194 CB SER C 28 53.489 18.971 -6.842 1.00 40.35 C +ATOM 195 OG SER C 28 52.911 17.687 -6.980 1.00 41.58 O +ATOM 196 N VAL C 29 51.780 19.967 -4.504 1.00 39.75 N +ATOM 197 CA VAL C 29 50.882 19.709 -3.386 1.00 38.94 C +ATOM 198 C VAL C 29 49.663 20.625 -3.376 1.00 37.61 C +ATOM 199 O VAL C 29 48.536 20.152 -3.231 1.00 37.91 O +ATOM 200 CB VAL C 29 51.622 19.847 -2.049 1.00 39.73 C +ATOM 201 CG1 VAL C 29 52.575 18.680 -1.858 1.00 42.09 C +ATOM 202 CG2 VAL C 29 52.391 21.146 -2.029 1.00 43.36 C +ATOM 203 N ASN C 30 49.887 21.930 -3.538 1.00 39.22 N +ATOM 204 CA ASN C 30 48.796 22.908 -3.536 1.00 35.93 C +ATOM 205 C ASN C 30 47.714 22.607 -4.570 1.00 34.89 C +ATOM 206 O ASN C 30 46.528 22.822 -4.310 1.00 33.60 O +ATOM 207 CB ASN C 30 49.331 24.331 -3.771 1.00 33.59 C +ATOM 208 CG ASN C 30 50.057 24.899 -2.563 1.00 34.07 C +ATOM 209 OD1 ASN C 30 49.712 24.596 -1.418 1.00 36.25 O +ATOM 210 ND2 ASN C 30 51.056 25.747 -2.812 1.00 33.85 N +ATOM 211 N ARG C 31 48.126 22.113 -5.735 1.00 35.04 N +ATOM 212 CA ARG C 31 47.195 21.791 -6.812 1.00 36.01 C +ATOM 213 C ARG C 31 46.155 20.736 -6.452 1.00 36.32 C +ATOM 214 O ARG C 31 45.149 20.589 -7.147 1.00 38.09 O +ATOM 215 CB ARG C 31 47.957 21.356 -8.059 1.00 35.14 C +ATOM 216 CG ARG C 31 48.753 22.472 -8.699 1.00 35.82 C +ATOM 217 CD ARG C 31 49.357 22.007 -9.997 1.00 37.41 C +ATOM 218 NE ARG C 31 50.070 23.076 -10.683 1.00 41.53 N +ATOM 219 CZ ARG C 31 50.702 22.916 -11.839 1.00 43.89 C +ATOM 220 NH1 ARG C 31 50.702 21.731 -12.427 1.00 46.90 N +ATOM 221 NH2 ARG C 31 51.333 23.936 -12.405 1.00 47.06 N +ATOM 222 N HIS C 32 46.396 19.982 -5.388 1.00 36.98 N +ATOM 223 CA HIS C 32 45.414 18.999 -4.966 1.00 36.59 C +ATOM 224 C HIS C 32 45.128 19.111 -3.473 1.00 35.70 C +ATOM 225 O HIS C 32 44.733 18.139 -2.829 1.00 33.72 O +ATOM 226 CB HIS C 32 45.831 17.571 -5.346 1.00 39.19 C +ATOM 227 CG HIS C 32 47.127 17.122 -4.749 1.00 38.88 C +ATOM 228 ND1 HIS C 32 48.303 17.090 -5.466 1.00 38.34 N +ATOM 229 CD2 HIS C 32 47.421 16.639 -3.518 1.00 38.88 C +ATOM 230 CE1 HIS C 32 49.266 16.603 -4.703 1.00 40.69 C +ATOM 231 NE2 HIS C 32 48.757 16.321 -3.516 1.00 40.20 N +ATOM 232 N THR C 33 45.330 20.321 -2.944 1.00 36.34 N +ATOM 233 CA THR C 33 45.062 20.650 -1.539 1.00 33.31 C +ATOM 234 C THR C 33 43.737 21.419 -1.501 1.00 33.38 C +ATOM 235 O THR C 33 43.505 22.315 -2.317 1.00 32.13 O +ATOM 236 CB THR C 33 46.143 21.565 -0.941 1.00 32.99 C +ATOM 237 OG1 THR C 33 47.428 20.949 -1.086 1.00 36.68 O +ATOM 238 CG2 THR C 33 45.864 21.818 0.539 1.00 28.99 C +ATOM 239 N ARG C 34 42.884 21.065 -0.546 1.00 32.29 N +ATOM 240 CA ARG C 34 41.565 21.672 -0.370 1.00 32.65 C +ATOM 241 C ARG C 34 41.503 23.189 -0.601 1.00 31.79 C +ATOM 242 O ARG C 34 42.366 23.924 -0.124 1.00 31.70 O +ATOM 243 CB ARG C 34 41.070 21.325 1.034 1.00 28.96 C +ATOM 244 CG ARG C 34 39.797 21.996 1.490 1.00 29.20 C +ATOM 245 CD ARG C 34 39.491 21.545 2.921 1.00 28.62 C +ATOM 246 NE ARG C 34 38.601 22.458 3.629 1.00 27.59 N +ATOM 247 CZ ARG C 34 37.282 22.439 3.520 1.00 27.54 C +ATOM 248 NH1 ARG C 34 36.700 21.548 2.734 1.00 33.11 N +ATOM 249 NH2 ARG C 34 36.546 23.311 4.193 1.00 30.17 N +ATOM 250 N LYS C 35 40.496 23.646 -1.352 1.00 31.26 N +ATOM 251 CA LYS C 35 40.326 25.078 -1.604 1.00 29.30 C +ATOM 252 C LYS C 35 39.025 25.443 -0.898 1.00 26.20 C +ATOM 253 O LYS C 35 38.046 24.716 -1.017 1.00 27.48 O +ATOM 254 CB LYS C 35 40.185 25.358 -3.108 1.00 31.21 C +ATOM 255 CG LYS C 35 41.089 24.544 -4.043 1.00 33.89 C +ATOM 256 CD LYS C 35 42.543 24.986 -4.004 1.00 31.68 C +ATOM 257 CE LYS C 35 43.377 24.279 -5.076 1.00 34.81 C +ATOM 258 NZ LYS C 35 43.401 22.790 -4.957 1.00 30.84 N +ATOM 259 N TYR C 36 39.002 26.552 -0.166 1.00 25.07 N +ATOM 260 CA TYR C 36 37.788 26.930 0.542 1.00 24.20 C +ATOM 261 C TYR C 36 37.456 28.414 0.526 1.00 22.23 C +ATOM 262 O TYR C 36 38.315 29.262 0.290 1.00 20.58 O +ATOM 263 CB TYR C 36 37.861 26.435 1.990 1.00 24.80 C +ATOM 264 CG TYR C 36 38.928 27.085 2.853 1.00 24.45 C +ATOM 265 CD1 TYR C 36 38.747 28.366 3.384 1.00 26.20 C +ATOM 266 CD2 TYR C 36 40.099 26.399 3.178 1.00 23.56 C +ATOM 267 CE1 TYR C 36 39.705 28.947 4.227 1.00 25.91 C +ATOM 268 CE2 TYR C 36 41.063 26.970 4.016 1.00 25.75 C +ATOM 269 CZ TYR C 36 40.859 28.241 4.539 1.00 26.34 C +ATOM 270 OH TYR C 36 41.804 28.794 5.379 1.00 24.42 O +ATOM 271 N TRP C 37 36.185 28.696 0.784 1.00 23.24 N +ATOM 272 CA TRP C 37 35.643 30.041 0.840 1.00 23.27 C +ATOM 273 C TRP C 37 34.779 30.050 2.096 1.00 24.42 C +ATOM 274 O TRP C 37 33.801 29.314 2.178 1.00 27.21 O +ATOM 275 CB TRP C 37 34.791 30.276 -0.399 1.00 22.15 C +ATOM 276 CG TRP C 37 34.031 31.549 -0.399 1.00 21.99 C +ATOM 277 CD1 TRP C 37 32.671 31.686 -0.411 1.00 20.87 C +ATOM 278 CD2 TRP C 37 34.571 32.872 -0.478 1.00 19.27 C +ATOM 279 NE1 TRP C 37 32.331 33.011 -0.505 1.00 23.64 N +ATOM 280 CE2 TRP C 37 33.478 33.764 -0.549 1.00 23.86 C +ATOM 281 CE3 TRP C 37 35.870 33.392 -0.501 1.00 18.40 C +ATOM 282 CZ2 TRP C 37 33.649 35.158 -0.646 1.00 21.29 C +ATOM 283 CZ3 TRP C 37 36.037 34.779 -0.597 1.00 18.27 C +ATOM 284 CH2 TRP C 37 34.933 35.640 -0.670 1.00 18.93 C +ATOM 285 N CYS C 38 35.147 30.855 3.085 1.00 26.90 N +ATOM 286 CA CYS C 38 34.377 30.907 4.327 1.00 29.80 C +ATOM 287 C CYS C 38 34.076 32.327 4.764 1.00 29.77 C +ATOM 288 O CYS C 38 34.696 33.287 4.306 1.00 31.14 O +ATOM 289 CB CYS C 38 35.120 30.203 5.464 1.00 29.76 C +ATOM 290 SG CYS C 38 36.659 31.052 5.929 1.00 41.42 S +ATOM 291 N ARG C 39 33.108 32.449 5.659 1.00 32.03 N +ATOM 292 CA ARG C 39 32.723 33.745 6.173 1.00 36.97 C +ATOM 293 C ARG C 39 33.155 33.883 7.624 1.00 38.78 C +ATOM 294 O ARG C 39 32.989 32.960 8.423 1.00 41.65 O +ATOM 295 CB ARG C 39 31.217 33.950 6.052 1.00 35.09 C +ATOM 296 CG ARG C 39 30.779 35.276 6.624 1.00 40.16 C +ATOM 297 CD ARG C 39 29.493 35.779 6.008 1.00 41.90 C +ATOM 298 NE ARG C 39 29.150 37.088 6.551 1.00 46.26 N +ATOM 299 CZ ARG C 39 28.106 37.812 6.167 1.00 46.90 C +ATOM 300 NH1 ARG C 39 27.285 37.361 5.225 1.00 45.58 N +ATOM 301 NH2 ARG C 39 27.879 38.988 6.739 1.00 49.78 N +ATOM 302 N GLN C 40 33.710 35.044 7.958 1.00 39.02 N +ATOM 303 CA GLN C 40 34.175 35.301 9.313 1.00 39.26 C +ATOM 304 C GLN C 40 32.996 35.672 10.206 1.00 38.05 C +ATOM 305 O GLN C 40 31.930 36.049 9.714 1.00 37.82 O +ATOM 306 CB GLN C 40 35.214 36.427 9.303 1.00 39.61 C +ATOM 307 CG GLN C 40 36.375 36.193 8.334 1.00 39.83 C +ATOM 308 CD GLN C 40 37.417 37.308 8.361 1.00 43.72 C +ATOM 309 OE1 GLN C 40 38.068 37.541 9.381 1.00 41.90 O +ATOM 310 NE2 GLN C 40 37.578 38.001 7.232 1.00 42.50 N +ATOM 311 N CYS C 46 35.591 31.256 11.243 1.00 36.68 N +ATOM 312 CA CYS C 46 35.228 31.320 9.830 1.00 37.79 C +ATOM 313 C CYS C 46 34.527 30.036 9.402 1.00 35.03 C +ATOM 314 O CYS C 46 35.091 28.947 9.480 1.00 39.52 O +ATOM 315 CB CYS C 46 36.471 31.545 8.968 1.00 36.70 C +ATOM 316 SG CYS C 46 36.134 32.385 7.381 1.00 45.18 S +ATOM 317 N ILE C 47 33.295 30.179 8.939 1.00 31.80 N +ATOM 318 CA ILE C 47 32.475 29.049 8.515 1.00 34.15 C +ATOM 319 C ILE C 47 32.526 28.778 7.014 1.00 32.65 C +ATOM 320 O ILE C 47 32.252 29.665 6.205 1.00 29.90 O +ATOM 321 CB ILE C 47 30.998 29.251 8.873 1.00 35.86 C +ATOM 322 CG1 ILE C 47 30.866 29.711 10.323 1.00 41.42 C +ATOM 323 CG2 ILE C 47 30.238 27.951 8.648 1.00 36.40 C +ATOM 324 CD1 ILE C 47 31.233 31.173 10.543 1.00 45.32 C +ATOM 325 N THR C 48 32.844 27.539 6.646 1.00 29.68 N +ATOM 326 CA THR C 48 32.926 27.176 5.238 1.00 27.15 C +ATOM 327 C THR C 48 31.590 27.303 4.522 1.00 24.84 C +ATOM 328 O THR C 48 30.563 26.815 4.987 1.00 24.44 O +ATOM 329 CB THR C 48 33.485 25.753 5.048 1.00 27.35 C +ATOM 330 OG1 THR C 48 34.843 25.720 5.506 1.00 32.06 O +ATOM 331 CG2 THR C 48 33.465 25.356 3.569 1.00 27.54 C +ATOM 332 N LEU C 49 31.622 27.988 3.385 1.00 23.47 N +ATOM 333 CA LEU C 49 30.446 28.217 2.563 1.00 23.56 C +ATOM 334 C LEU C 49 30.472 27.255 1.390 1.00 23.57 C +ATOM 335 O LEU C 49 29.442 26.728 0.969 1.00 24.88 O +ATOM 336 CB LEU C 49 30.462 29.645 2.030 1.00 20.71 C +ATOM 337 CG LEU C 49 30.113 30.703 3.066 1.00 24.67 C +ATOM 338 CD1 LEU C 49 30.503 32.084 2.571 1.00 21.90 C +ATOM 339 CD2 LEU C 49 28.617 30.607 3.355 1.00 22.23 C +ATOM 340 N ILE C 50 31.669 27.050 0.855 1.00 23.20 N +ATOM 341 CA ILE C 50 31.875 26.152 -0.271 1.00 22.29 C +ATOM 342 C ILE C 50 33.339 25.747 -0.347 1.00 22.10 C +ATOM 343 O ILE C 50 34.225 26.550 -0.085 1.00 20.76 O +ATOM 344 CB ILE C 50 31.451 26.803 -1.614 1.00 24.22 C +ATOM 345 CG1 ILE C 50 31.627 25.789 -2.753 1.00 20.76 C +ATOM 346 CG2 ILE C 50 32.251 28.085 -1.862 1.00 20.30 C +ATOM 347 CD1 ILE C 50 30.749 26.060 -3.952 1.00 19.62 C +ATOM 348 N SER C 51 33.587 24.494 -0.708 1.00 24.02 N +ATOM 349 CA SER C 51 34.946 23.958 -0.803 1.00 25.59 C +ATOM 350 C SER C 51 35.138 23.146 -2.095 1.00 23.59 C +ATOM 351 O SER C 51 34.164 22.707 -2.695 1.00 26.76 O +ATOM 352 CB SER C 51 35.224 23.083 0.427 1.00 28.66 C +ATOM 353 OG SER C 51 36.527 22.538 0.405 1.00 36.19 O +ATOM 354 N SER C 52 36.402 22.944 -2.496 1.00 27.03 N +ATOM 355 CA SER C 52 36.775 22.239 -3.744 1.00 24.29 C +ATOM 356 C SER C 52 36.752 20.710 -3.794 1.00 24.74 C +ATOM 357 O SER C 52 36.989 20.134 -4.852 1.00 22.15 O +ATOM 358 CB SER C 52 38.154 22.715 -4.242 1.00 23.04 C +ATOM 359 OG SER C 52 39.222 22.265 -3.416 1.00 17.50 O +ATOM 360 N GLU C 53 36.495 20.047 -2.671 1.00 26.14 N +ATOM 361 CA GLU C 53 36.417 18.588 -2.688 1.00 29.41 C +ATOM 362 C GLU C 53 34.979 18.195 -3.008 1.00 27.51 C +ATOM 363 O GLU C 53 34.649 17.007 -3.091 1.00 28.05 O +ATOM 364 CB GLU C 53 36.841 17.969 -1.342 1.00 31.96 C +ATOM 365 CG GLU C 53 37.187 18.946 -0.229 1.00 39.57 C +ATOM 366 CD GLU C 53 35.965 19.512 0.475 1.00 39.76 C +ATOM 367 OE1 GLU C 53 35.198 20.265 -0.162 1.00 36.38 O +ATOM 368 OE2 GLU C 53 35.779 19.201 1.674 1.00 45.01 O +ATOM 369 N GLY C 54 34.131 19.210 -3.183 1.00 27.37 N +ATOM 370 CA GLY C 54 32.728 18.987 -3.502 1.00 26.76 C +ATOM 371 C GLY C 54 31.738 19.515 -2.472 1.00 25.99 C +ATOM 372 O GLY C 54 30.528 19.374 -2.640 1.00 21.93 O +ATOM 373 N TYR C 55 32.255 20.125 -1.408 1.00 26.16 N +ATOM 374 CA TYR C 55 31.425 20.669 -0.343 1.00 26.12 C +ATOM 375 C TYR C 55 30.830 22.055 -0.626 1.00 25.77 C +ATOM 376 O TYR C 55 31.502 22.952 -1.131 1.00 26.51 O +ATOM 377 CB TYR C 55 32.225 20.745 0.958 1.00 26.80 C +ATOM 378 CG TYR C 55 31.372 21.078 2.159 1.00 28.07 C +ATOM 379 CD1 TYR C 55 30.557 20.110 2.740 1.00 29.04 C +ATOM 380 CD2 TYR C 55 31.333 22.373 2.677 1.00 26.60 C +ATOM 381 CE1 TYR C 55 29.724 20.416 3.795 1.00 27.31 C +ATOM 382 CE2 TYR C 55 30.505 22.690 3.734 1.00 26.78 C +ATOM 383 CZ TYR C 55 29.700 21.704 4.286 1.00 28.14 C +ATOM 384 OH TYR C 55 28.854 22.002 5.323 1.00 30.04 O +ATOM 385 N VAL C 56 29.557 22.207 -0.284 1.00 22.79 N +ATOM 386 CA VAL C 56 28.840 23.461 -0.439 1.00 25.76 C +ATOM 387 C VAL C 56 27.832 23.465 0.690 1.00 26.52 C +ATOM 388 O VAL C 56 27.040 22.528 0.825 1.00 27.87 O +ATOM 389 CB VAL C 56 28.091 23.565 -1.804 1.00 25.39 C +ATOM 390 CG1 VAL C 56 27.149 22.398 -1.987 1.00 25.79 C +ATOM 391 CG2 VAL C 56 27.314 24.868 -1.876 1.00 21.69 C +ATOM 392 N SER C 57 27.882 24.499 1.523 1.00 27.98 N +ATOM 393 CA SER C 57 26.953 24.598 2.639 1.00 29.03 C +ATOM 394 C SER C 57 25.541 24.823 2.101 1.00 28.80 C +ATOM 395 O SER C 57 25.357 25.201 0.945 1.00 29.26 O +ATOM 396 CB SER C 57 27.331 25.758 3.551 1.00 28.62 C +ATOM 397 OG SER C 57 26.646 26.932 3.159 1.00 33.20 O +ATOM 398 N SER C 58 24.545 24.585 2.941 1.00 30.80 N +ATOM 399 CA SER C 58 23.160 24.767 2.535 1.00 32.59 C +ATOM 400 C SER C 58 22.868 26.225 2.163 1.00 31.47 C +ATOM 401 O SER C 58 21.901 26.502 1.466 1.00 33.54 O +ATOM 402 CB SER C 58 22.219 24.305 3.658 1.00 34.44 C +ATOM 403 OG SER C 58 22.519 24.958 4.881 1.00 31.76 O +ATOM 404 N LYS C 59 23.707 27.151 2.624 1.00 33.16 N +ATOM 405 CA LYS C 59 23.530 28.574 2.327 1.00 31.74 C +ATOM 406 C LYS C 59 23.968 28.923 0.901 1.00 32.63 C +ATOM 407 O LYS C 59 23.377 29.796 0.266 1.00 32.81 O +ATOM 408 CB LYS C 59 24.319 29.429 3.330 1.00 33.63 C +ATOM 409 N TYR C 60 24.998 28.246 0.396 1.00 28.56 N +ATOM 410 CA TYR C 60 25.480 28.530 -0.949 1.00 27.85 C +ATOM 411 C TYR C 60 24.936 27.601 -2.021 1.00 27.48 C +ATOM 412 O TYR C 60 25.035 27.895 -3.209 1.00 31.88 O +ATOM 413 CB TYR C 60 27.013 28.508 -0.985 1.00 26.73 C +ATOM 414 CG TYR C 60 27.637 29.881 -0.881 1.00 27.72 C +ATOM 415 CD1 TYR C 60 28.859 30.157 -1.481 1.00 26.16 C +ATOM 416 CD2 TYR C 60 26.982 30.921 -0.218 1.00 27.49 C +ATOM 417 CE1 TYR C 60 29.409 31.437 -1.431 1.00 24.89 C +ATOM 418 CE2 TYR C 60 27.526 32.194 -0.165 1.00 26.55 C +ATOM 419 CZ TYR C 60 28.736 32.444 -0.773 1.00 21.97 C +ATOM 420 OH TYR C 60 29.270 33.706 -0.718 1.00 23.42 O +ATOM 421 N ALA C 61 24.368 26.479 -1.608 1.00 27.61 N +ATOM 422 CA ALA C 61 23.819 25.528 -2.559 1.00 27.09 C +ATOM 423 C ALA C 61 22.810 26.208 -3.478 1.00 27.55 C +ATOM 424 O ALA C 61 21.839 26.809 -3.015 1.00 23.71 O +ATOM 425 CB ALA C 61 23.158 24.370 -1.821 1.00 28.45 C +ATOM 426 N GLY C 62 23.060 26.123 -4.782 1.00 29.10 N +ATOM 427 CA GLY C 62 22.156 26.711 -5.752 1.00 28.18 C +ATOM 428 C GLY C 62 22.426 28.151 -6.146 1.00 28.88 C +ATOM 429 O GLY C 62 22.004 28.574 -7.218 1.00 31.51 O +ATOM 430 N ARG C 63 23.129 28.910 -5.310 1.00 28.37 N +ATOM 431 CA ARG C 63 23.400 30.307 -5.636 1.00 28.78 C +ATOM 432 C ARG C 63 24.868 30.602 -5.835 1.00 27.62 C +ATOM 433 O ARG C 63 25.240 31.752 -6.046 1.00 27.70 O +ATOM 434 CB ARG C 63 22.844 31.232 -4.546 1.00 31.02 C +ATOM 435 CG ARG C 63 23.442 31.025 -3.152 1.00 36.76 C +ATOM 436 CD ARG C 63 24.822 31.656 -3.016 1.00 38.68 C +ATOM 437 NE ARG C 63 24.768 33.115 -3.058 1.00 40.32 N +ATOM 438 CZ ARG C 63 24.478 33.883 -2.013 1.00 38.19 C +ATOM 439 NH1 ARG C 63 24.218 33.329 -0.837 1.00 36.93 N +ATOM 440 NH2 ARG C 63 24.449 35.204 -2.146 1.00 38.77 N +ATOM 441 N ALA C 64 25.702 29.569 -5.764 1.00 26.13 N +ATOM 442 CA ALA C 64 27.137 29.751 -5.938 1.00 26.11 C +ATOM 443 C ALA C 64 27.861 28.439 -6.218 1.00 26.80 C +ATOM 444 O ALA C 64 27.352 27.357 -5.911 1.00 29.36 O +ATOM 445 CB ALA C 64 27.729 30.404 -4.686 1.00 22.80 C +ATOM 446 N ASN C 65 29.044 28.540 -6.817 1.00 25.33 N +ATOM 447 CA ASN C 65 29.867 27.365 -7.078 1.00 22.60 C +ATOM 448 C ASN C 65 31.341 27.756 -7.049 1.00 24.31 C +ATOM 449 O ASN C 65 31.683 28.934 -6.874 1.00 25.27 O +ATOM 450 CB ASN C 65 29.478 26.659 -8.406 1.00 22.59 C +ATOM 451 CG ASN C 65 30.019 27.341 -9.664 1.00 22.77 C +ATOM 452 OD1 ASN C 65 30.273 26.672 -10.662 1.00 25.06 O +ATOM 453 ND2 ASN C 65 30.166 28.656 -9.635 1.00 24.66 N +ATOM 454 N LEU C 66 32.219 26.771 -7.178 1.00 23.35 N +ATOM 455 CA LEU C 66 33.647 27.041 -7.153 1.00 24.46 C +ATOM 456 C LEU C 66 34.340 26.443 -8.366 1.00 23.88 C +ATOM 457 O LEU C 66 34.134 25.273 -8.683 1.00 25.39 O +ATOM 458 CB LEU C 66 34.258 26.475 -5.864 1.00 22.38 C +ATOM 459 CG LEU C 66 35.760 26.678 -5.653 1.00 22.73 C +ATOM 460 CD1 LEU C 66 36.078 26.707 -4.166 1.00 24.84 C +ATOM 461 CD2 LEU C 66 36.530 25.588 -6.359 1.00 21.44 C +ATOM 462 N THR C 67 35.142 27.252 -9.052 1.00 23.52 N +ATOM 463 CA THR C 67 35.901 26.777 -10.210 1.00 23.23 C +ATOM 464 C THR C 67 37.370 26.589 -9.777 1.00 24.53 C +ATOM 465 O THR C 67 38.022 27.524 -9.296 1.00 19.80 O +ATOM 466 CB THR C 67 35.809 27.770 -11.396 1.00 23.25 C +ATOM 467 OG1 THR C 67 34.450 27.870 -11.836 1.00 22.39 O +ATOM 468 CG2 THR C 67 36.647 27.287 -12.553 1.00 20.74 C +ATOM 469 N ASN C 68 37.881 25.370 -9.935 1.00 27.32 N +ATOM 470 CA ASN C 68 39.253 25.050 -9.523 1.00 31.14 C +ATOM 471 C ASN C 68 40.179 24.934 -10.731 1.00 30.15 C +ATOM 472 O ASN C 68 39.978 24.095 -11.609 1.00 29.56 O +ATOM 473 CB ASN C 68 39.264 23.743 -8.711 1.00 32.25 C +ATOM 474 CG ASN C 68 40.542 23.551 -7.903 1.00 31.51 C +ATOM 475 OD1 ASN C 68 40.734 22.505 -7.283 1.00 36.04 O +ATOM 476 ND2 ASN C 68 41.413 24.559 -7.900 1.00 31.81 N +ATOM 477 N PHE C 69 41.192 25.793 -10.757 1.00 30.78 N +ATOM 478 CA PHE C 69 42.161 25.844 -11.846 1.00 30.79 C +ATOM 479 C PHE C 69 43.573 25.677 -11.277 1.00 34.82 C +ATOM 480 O PHE C 69 44.346 26.637 -11.229 1.00 32.78 O +ATOM 481 CB PHE C 69 42.074 27.205 -12.547 1.00 28.16 C +ATOM 482 CG PHE C 69 40.813 27.425 -13.343 1.00 25.36 C +ATOM 483 CD1 PHE C 69 40.219 28.690 -13.377 1.00 25.48 C +ATOM 484 CD2 PHE C 69 40.283 26.416 -14.146 1.00 25.23 C +ATOM 485 CE1 PHE C 69 39.130 28.950 -14.202 1.00 22.35 C +ATOM 486 CE2 PHE C 69 39.194 26.664 -14.975 1.00 23.01 C +ATOM 487 CZ PHE C 69 38.619 27.935 -15.005 1.00 25.91 C +ATOM 488 N PRO C 70 43.925 24.457 -10.833 1.00 38.34 N +ATOM 489 CA PRO C 70 45.245 24.159 -10.261 1.00 39.78 C +ATOM 490 C PRO C 70 46.404 24.562 -11.170 1.00 41.68 C +ATOM 491 O PRO C 70 47.336 25.253 -10.744 1.00 41.40 O +ATOM 492 CB PRO C 70 45.192 22.650 -10.051 1.00 40.55 C +ATOM 493 CG PRO C 70 43.742 22.399 -9.790 1.00 41.20 C +ATOM 494 CD PRO C 70 43.075 23.255 -10.833 1.00 40.29 C +ATOM 495 N GLU C 71 46.328 24.118 -12.422 1.00 42.40 N +ATOM 496 CA GLU C 71 47.352 24.392 -13.426 1.00 44.09 C +ATOM 497 C GLU C 71 47.784 25.854 -13.447 1.00 45.11 C +ATOM 498 O GLU C 71 48.905 26.177 -13.837 1.00 46.81 O +ATOM 499 CB GLU C 71 46.839 23.987 -14.801 1.00 42.14 C +ATOM 500 N ASN C 72 46.886 26.731 -13.014 1.00 45.80 N +ATOM 501 CA ASN C 72 47.130 28.167 -12.995 1.00 42.30 C +ATOM 502 C ASN C 72 47.335 28.712 -11.580 1.00 40.23 C +ATOM 503 O ASN C 72 47.644 29.887 -11.399 1.00 39.90 O +ATOM 504 CB ASN C 72 45.947 28.862 -13.675 1.00 46.28 C +ATOM 505 CG ASN C 72 46.031 30.363 -13.612 1.00 48.52 C +ATOM 506 OD1 ASN C 72 47.084 30.949 -13.861 1.00 54.64 O +ATOM 507 ND2 ASN C 72 44.913 31.001 -13.295 1.00 47.28 N +ATOM 508 N GLY C 73 47.173 27.854 -10.578 1.00 36.57 N +ATOM 509 CA GLY C 73 47.339 28.297 -9.206 1.00 34.48 C +ATOM 510 C GLY C 73 46.225 29.246 -8.803 1.00 32.09 C +ATOM 511 O GLY C 73 46.397 30.138 -7.981 1.00 31.22 O +ATOM 512 N THR C 74 45.063 29.066 -9.403 1.00 30.81 N +ATOM 513 CA THR C 74 43.941 29.919 -9.072 1.00 30.68 C +ATOM 514 C THR C 74 42.649 29.135 -8.928 1.00 29.08 C +ATOM 515 O THR C 74 42.508 28.027 -9.445 1.00 28.94 O +ATOM 516 CB THR C 74 43.716 30.951 -10.169 1.00 30.68 C +ATOM 517 OG1 THR C 74 43.252 30.292 -11.358 1.00 28.41 O +ATOM 518 CG2 THR C 74 45.010 31.659 -10.477 1.00 32.15 C +ATOM 519 N PHE C 75 41.710 29.709 -8.195 1.00 26.79 N +ATOM 520 CA PHE C 75 40.394 29.114 -8.061 1.00 24.10 C +ATOM 521 C PHE C 75 39.416 30.276 -7.995 1.00 26.62 C +ATOM 522 O PHE C 75 39.744 31.355 -7.478 1.00 20.58 O +ATOM 523 CB PHE C 75 40.281 28.167 -6.845 1.00 23.04 C +ATOM 524 CG PHE C 75 40.369 28.830 -5.496 1.00 20.75 C +ATOM 525 CD1 PHE C 75 39.214 29.075 -4.753 1.00 23.80 C +ATOM 526 CD2 PHE C 75 41.605 29.070 -4.902 1.00 21.00 C +ATOM 527 CE1 PHE C 75 39.289 29.535 -3.434 1.00 21.43 C +ATOM 528 CE2 PHE C 75 41.694 29.531 -3.581 1.00 19.69 C +ATOM 529 CZ PHE C 75 40.534 29.759 -2.847 1.00 20.75 C +ATOM 530 N VAL C 76 38.233 30.069 -8.571 1.00 24.43 N +ATOM 531 CA VAL C 76 37.209 31.104 -8.622 1.00 22.63 C +ATOM 532 C VAL C 76 35.920 30.716 -7.917 1.00 24.49 C +ATOM 533 O VAL C 76 35.395 29.608 -8.095 1.00 21.94 O +ATOM 534 CB VAL C 76 36.808 31.460 -10.092 1.00 23.43 C +ATOM 535 CG1 VAL C 76 35.975 32.747 -10.112 1.00 16.18 C +ATOM 536 CG2 VAL C 76 38.047 31.574 -10.974 1.00 21.63 C +ATOM 537 N VAL C 77 35.414 31.643 -7.112 1.00 22.23 N +ATOM 538 CA VAL C 77 34.150 31.443 -6.426 1.00 22.70 C +ATOM 539 C VAL C 77 33.135 32.357 -7.120 1.00 22.25 C +ATOM 540 O VAL C 77 33.316 33.575 -7.184 1.00 23.76 O +ATOM 541 CB VAL C 77 34.219 31.813 -4.923 1.00 21.24 C +ATOM 542 CG1 VAL C 77 32.829 31.731 -4.314 1.00 17.20 C +ATOM 543 CG2 VAL C 77 35.147 30.853 -4.191 1.00 21.52 C +ATOM 544 N ASN C 78 32.088 31.761 -7.674 1.00 19.31 N +ATOM 545 CA ASN C 78 31.044 32.527 -8.341 1.00 22.87 C +ATOM 546 C ASN C 78 29.853 32.553 -7.385 1.00 24.94 C +ATOM 547 O ASN C 78 29.411 31.509 -6.912 1.00 24.51 O +ATOM 548 CB ASN C 78 30.604 31.856 -9.646 1.00 21.87 C +ATOM 549 CG ASN C 78 31.754 31.590 -10.592 1.00 21.58 C +ATOM 550 OD1 ASN C 78 31.927 30.463 -11.069 1.00 21.56 O +ATOM 551 ND2 ASN C 78 32.537 32.622 -10.886 1.00 17.64 N +ATOM 552 N ILE C 79 29.338 33.748 -7.111 1.00 25.36 N +ATOM 553 CA ILE C 79 28.209 33.931 -6.208 1.00 24.51 C +ATOM 554 C ILE C 79 27.105 34.661 -6.955 1.00 23.73 C +ATOM 555 O ILE C 79 27.295 35.791 -7.386 1.00 22.83 O +ATOM 556 CB ILE C 79 28.618 34.797 -5.000 1.00 26.34 C +ATOM 557 CG1 ILE C 79 29.791 34.143 -4.271 1.00 25.78 C +ATOM 558 CG2 ILE C 79 27.436 34.992 -4.066 1.00 26.82 C +ATOM 559 CD1 ILE C 79 30.460 35.051 -3.287 1.00 18.95 C +ATOM 560 N ALA C 80 25.957 34.003 -7.098 1.00 23.26 N +ATOM 561 CA ALA C 80 24.818 34.568 -7.809 1.00 19.85 C +ATOM 562 C ALA C 80 23.747 35.138 -6.882 1.00 22.00 C +ATOM 563 O ALA C 80 23.708 34.829 -5.682 1.00 18.50 O +ATOM 564 CB ALA C 80 24.203 33.507 -8.713 1.00 18.67 C +ATOM 565 N GLN C 81 22.882 35.973 -7.462 1.00 21.80 N +ATOM 566 CA GLN C 81 21.781 36.607 -6.745 1.00 24.78 C +ATOM 567 C GLN C 81 22.259 37.257 -5.438 1.00 25.02 C +ATOM 568 O GLN C 81 21.757 36.965 -4.350 1.00 21.71 O +ATOM 569 CB GLN C 81 20.690 35.561 -6.474 1.00 31.20 C +ATOM 570 CG GLN C 81 19.366 36.116 -5.949 1.00 40.41 C +ATOM 571 CD GLN C 81 18.609 36.954 -6.972 1.00 42.62 C +ATOM 572 OE1 GLN C 81 19.063 38.024 -7.382 1.00 43.23 O +ATOM 573 NE2 GLN C 81 17.444 36.465 -7.388 1.00 45.09 N +ATOM 574 N LEU C 82 23.242 38.141 -5.555 1.00 25.95 N +ATOM 575 CA LEU C 82 23.780 38.817 -4.385 1.00 30.90 C +ATOM 576 C LEU C 82 22.701 39.508 -3.563 1.00 33.47 C +ATOM 577 O LEU C 82 21.726 40.029 -4.100 1.00 32.75 O +ATOM 578 CB LEU C 82 24.840 39.828 -4.802 1.00 26.96 C +ATOM 579 CG LEU C 82 26.028 39.147 -5.475 1.00 30.20 C +ATOM 580 CD1 LEU C 82 27.004 40.210 -5.956 1.00 31.58 C +ATOM 581 CD2 LEU C 82 26.703 38.182 -4.497 1.00 26.01 C +ATOM 582 N SER C 83 22.892 39.488 -2.249 1.00 36.31 N +ATOM 583 CA SER C 83 21.966 40.096 -1.310 1.00 37.42 C +ATOM 584 C SER C 83 22.732 40.897 -0.265 1.00 38.09 C +ATOM 585 O SER C 83 23.910 40.638 -0.005 1.00 36.49 O +ATOM 586 CB SER C 83 21.146 39.015 -0.615 1.00 39.49 C +ATOM 587 OG SER C 83 20.510 39.547 0.529 1.00 43.00 O +ATOM 588 N GLN C 84 22.060 41.870 0.338 1.00 38.93 N +ATOM 589 CA GLN C 84 22.698 42.696 1.349 1.00 39.16 C +ATOM 590 C GLN C 84 23.138 41.839 2.516 1.00 36.86 C +ATOM 591 O GLN C 84 23.974 42.252 3.317 1.00 39.80 O +ATOM 592 CB GLN C 84 21.743 43.793 1.813 1.00 41.17 C +ATOM 593 CG GLN C 84 21.444 44.799 0.719 1.00 45.93 C +ATOM 594 CD GLN C 84 20.586 45.945 1.196 1.00 51.23 C +ATOM 595 OE1 GLN C 84 20.886 46.579 2.213 1.00 55.32 O +ATOM 596 NE2 GLN C 84 19.514 46.229 0.461 1.00 51.75 N +ATOM 597 N ASP C 85 22.574 40.637 2.596 1.00 33.90 N +ATOM 598 CA ASP C 85 22.909 39.692 3.654 1.00 31.76 C +ATOM 599 C ASP C 85 24.313 39.149 3.413 1.00 28.91 C +ATOM 600 O ASP C 85 24.974 38.659 4.331 1.00 28.14 O +ATOM 601 CB ASP C 85 21.907 38.534 3.656 1.00 37.21 C +ATOM 602 CG ASP C 85 20.501 38.968 4.050 1.00 41.86 C +ATOM 603 OD1 ASP C 85 20.129 40.137 3.793 1.00 45.50 O +ATOM 604 OD2 ASP C 85 19.757 38.125 4.602 1.00 43.72 O +ATOM 605 N ASP C 86 24.753 39.232 2.163 1.00 24.17 N +ATOM 606 CA ASP C 86 26.074 38.764 1.757 1.00 26.45 C +ATOM 607 C ASP C 86 27.210 39.706 2.152 1.00 25.08 C +ATOM 608 O ASP C 86 28.375 39.316 2.131 1.00 20.67 O +ATOM 609 CB ASP C 86 26.129 38.564 0.241 1.00 25.41 C +ATOM 610 CG ASP C 86 25.264 37.425 -0.227 1.00 27.53 C +ATOM 611 OD1 ASP C 86 25.367 36.324 0.351 1.00 30.45 O +ATOM 612 OD2 ASP C 86 24.485 37.625 -1.178 1.00 28.29 O +ATOM 613 N SER C 87 26.879 40.949 2.491 1.00 25.74 N +ATOM 614 CA SER C 87 27.903 41.914 2.897 1.00 28.56 C +ATOM 615 C SER C 87 28.627 41.363 4.124 1.00 27.35 C +ATOM 616 O SER C 87 27.989 40.949 5.087 1.00 32.16 O +ATOM 617 CB SER C 87 27.278 43.275 3.261 1.00 27.71 C +ATOM 618 OG SER C 87 26.844 44.002 2.121 1.00 29.18 O +ATOM 619 N GLY C 88 29.953 41.355 4.094 1.00 26.08 N +ATOM 620 CA GLY C 88 30.692 40.843 5.231 1.00 24.44 C +ATOM 621 C GLY C 88 32.145 40.528 4.934 1.00 25.14 C +ATOM 622 O GLY C 88 32.674 40.900 3.887 1.00 24.96 O +ATOM 623 N ARG C 89 32.791 39.842 5.872 1.00 25.90 N +ATOM 624 CA ARG C 89 34.188 39.458 5.735 1.00 25.46 C +ATOM 625 C ARG C 89 34.287 37.972 5.444 1.00 26.09 C +ATOM 626 O ARG C 89 33.643 37.156 6.104 1.00 28.49 O +ATOM 627 CB ARG C 89 34.956 39.735 7.021 1.00 29.60 C +ATOM 628 CG ARG C 89 35.076 41.185 7.416 1.00 39.50 C +ATOM 629 CD ARG C 89 35.833 41.283 8.735 1.00 44.57 C +ATOM 630 NE ARG C 89 35.776 42.624 9.307 1.00 55.62 N +ATOM 631 CZ ARG C 89 36.274 42.955 10.496 1.00 59.85 C +ATOM 632 NH1 ARG C 89 36.874 42.040 11.250 1.00 62.56 N +ATOM 633 NH2 ARG C 89 36.162 44.203 10.939 1.00 60.39 N +ATOM 634 N TYR C 90 35.111 37.622 4.467 1.00 26.50 N +ATOM 635 CA TYR C 90 35.298 36.232 4.081 1.00 25.91 C +ATOM 636 C TYR C 90 36.779 35.945 3.923 1.00 25.64 C +ATOM 637 O TYR C 90 37.615 36.831 4.073 1.00 26.31 O +ATOM 638 CB TYR C 90 34.603 35.935 2.741 1.00 25.54 C +ATOM 639 CG TYR C 90 33.108 36.194 2.687 1.00 21.85 C +ATOM 640 CD1 TYR C 90 32.600 37.496 2.626 1.00 20.79 C +ATOM 641 CD2 TYR C 90 32.204 35.136 2.672 1.00 19.62 C +ATOM 642 CE1 TYR C 90 31.226 37.737 2.549 1.00 17.15 C +ATOM 643 CE2 TYR C 90 30.831 35.368 2.595 1.00 20.12 C +ATOM 644 CZ TYR C 90 30.353 36.667 2.535 1.00 18.21 C +ATOM 645 OH TYR C 90 29.002 36.883 2.478 1.00 21.38 O +ATOM 646 N LYS C 91 37.088 34.692 3.613 1.00 27.01 N +ATOM 647 CA LYS C 91 38.459 34.262 3.406 1.00 26.92 C +ATOM 648 C LYS C 91 38.475 33.152 2.364 1.00 29.50 C +ATOM 649 O LYS C 91 37.571 32.310 2.316 1.00 24.32 O +ATOM 650 CB LYS C 91 39.063 33.692 4.690 1.00 30.37 C +ATOM 651 CG LYS C 91 39.183 34.619 5.887 1.00 33.28 C +ATOM 652 CD LYS C 91 39.822 33.841 7.042 1.00 35.97 C +ATOM 653 CE LYS C 91 40.172 34.713 8.240 1.00 41.02 C +ATOM 654 NZ LYS C 91 40.999 33.960 9.237 1.00 40.81 N +ATOM 655 N CYS C 92 39.497 33.166 1.521 1.00 27.95 N +ATOM 656 CA CYS C 92 39.670 32.115 0.533 1.00 32.29 C +ATOM 657 C CYS C 92 41.006 31.527 0.962 1.00 32.46 C +ATOM 658 O CYS C 92 41.915 32.268 1.330 1.00 34.55 O +ATOM 659 CB CYS C 92 39.759 32.683 -0.894 1.00 29.57 C +ATOM 660 SG CYS C 92 41.182 33.774 -1.215 1.00 34.64 S +ATOM 661 N GLY C 93 41.128 30.206 0.952 1.00 32.36 N +ATOM 662 CA GLY C 93 42.385 29.610 1.356 1.00 29.69 C +ATOM 663 C GLY C 93 42.551 28.176 0.912 1.00 30.85 C +ATOM 664 O GLY C 93 41.713 27.631 0.192 1.00 27.60 O +ATOM 665 N LEU C 94 43.653 27.569 1.338 1.00 35.12 N +ATOM 666 CA LEU C 94 43.937 26.172 1.015 1.00 40.38 C +ATOM 667 C LEU C 94 44.083 25.352 2.306 1.00 39.79 C +ATOM 668 O LEU C 94 44.484 25.880 3.341 1.00 40.00 O +ATOM 669 CB LEU C 94 45.208 26.055 0.167 1.00 41.63 C +ATOM 670 CG LEU C 94 45.253 26.854 -1.141 1.00 41.99 C +ATOM 671 CD1 LEU C 94 46.271 26.199 -2.069 1.00 42.86 C +ATOM 672 CD2 LEU C 94 43.886 26.894 -1.806 1.00 40.08 C +ATOM 673 N GLY C 95 43.725 24.072 2.248 1.00 40.18 N +ATOM 674 CA GLY C 95 43.822 23.214 3.416 1.00 42.25 C +ATOM 675 C GLY C 95 42.632 23.371 4.342 1.00 45.39 C +ATOM 676 O GLY C 95 41.486 23.386 3.892 1.00 41.62 O +ATOM 677 N ILE C 96 42.900 23.479 5.641 1.00 49.57 N +ATOM 678 CA ILE C 96 41.840 23.656 6.632 1.00 52.62 C +ATOM 679 C ILE C 96 41.697 25.141 6.989 1.00 55.52 C +ATOM 680 O ILE C 96 42.671 25.904 6.959 1.00 53.73 O +ATOM 681 CB ILE C 96 42.127 22.837 7.910 1.00 51.65 C +ATOM 682 CG1 ILE C 96 42.091 21.346 7.583 1.00 50.81 C +ATOM 683 CG2 ILE C 96 41.097 23.147 8.978 1.00 53.53 C +ATOM 684 CD1 ILE C 96 42.263 20.460 8.792 1.00 52.69 C +ATOM 685 N ASN C 97 40.470 25.538 7.319 1.00 58.29 N +ATOM 686 CA ASN C 97 40.149 26.923 7.657 1.00 62.39 C +ATOM 687 C ASN C 97 41.006 27.534 8.774 1.00 65.29 C +ATOM 688 O ASN C 97 41.876 28.373 8.519 1.00 66.12 O +ATOM 689 CB ASN C 97 38.661 27.029 8.026 1.00 60.93 C +ATOM 690 CG ASN C 97 37.740 26.585 6.893 1.00 60.58 C +ATOM 691 OD1 ASN C 97 37.878 25.483 6.358 1.00 58.93 O +ATOM 692 ND2 ASN C 97 36.788 27.439 6.534 1.00 55.48 N +ATOM 693 N SER C 98 40.754 27.114 10.009 1.00 68.40 N +ATOM 694 CA SER C 98 41.483 27.626 11.168 1.00 69.20 C +ATOM 695 C SER C 98 43.003 27.597 11.020 1.00 68.92 C +ATOM 696 O SER C 98 43.707 28.296 11.753 1.00 70.62 O +ATOM 697 CB SER C 98 41.072 26.855 12.421 1.00 69.54 C +ATOM 698 N ARG C 99 43.509 26.793 10.083 1.00 66.91 N +ATOM 699 CA ARG C 99 44.953 26.692 9.863 1.00 62.22 C +ATOM 700 C ARG C 99 45.526 28.057 9.483 1.00 59.26 C +ATOM 701 O ARG C 99 46.734 28.208 9.307 1.00 57.65 O +ATOM 702 CB ARG C 99 45.254 25.666 8.770 1.00 61.54 C +ATOM 703 N GLY C 100 44.642 29.043 9.355 1.00 55.55 N +ATOM 704 CA GLY C 100 45.056 30.393 9.026 1.00 53.73 C +ATOM 705 C GLY C 100 45.789 30.559 7.713 1.00 53.46 C +ATOM 706 O GLY C 100 46.419 31.592 7.483 1.00 54.42 O +ATOM 707 N LEU C 101 45.708 29.552 6.848 1.00 53.29 N +ATOM 708 CA LEU C 101 46.366 29.602 5.546 1.00 51.25 C +ATOM 709 C LEU C 101 45.376 30.136 4.500 1.00 51.57 C +ATOM 710 O LEU C 101 44.801 29.368 3.725 1.00 48.67 O +ATOM 711 CB LEU C 101 46.851 28.200 5.172 1.00 50.77 C +ATOM 712 CG LEU C 101 47.685 28.029 3.902 1.00 52.18 C +ATOM 713 CD1 LEU C 101 48.792 29.069 3.858 1.00 49.44 C +ATOM 714 CD2 LEU C 101 48.253 26.607 3.864 1.00 52.32 C +ATOM 715 N SER C 102 45.188 31.458 4.483 1.00 50.23 N +ATOM 716 CA SER C 102 44.242 32.084 3.558 1.00 49.23 C +ATOM 717 C SER C 102 44.458 33.588 3.284 1.00 46.52 C +ATOM 718 O SER C 102 45.519 34.139 3.576 1.00 45.78 O +ATOM 719 CB SER C 102 42.823 31.856 4.083 1.00 49.19 C +ATOM 720 OG SER C 102 42.729 32.259 5.437 1.00 47.60 O +ATOM 721 N PHE C 103 43.440 34.223 2.700 1.00 43.20 N +ATOM 722 CA PHE C 103 43.443 35.655 2.367 1.00 38.61 C +ATOM 723 C PHE C 103 42.084 36.253 2.754 1.00 36.23 C +ATOM 724 O PHE C 103 41.037 35.630 2.547 1.00 31.36 O +ATOM 725 CB PHE C 103 43.672 35.858 0.865 1.00 38.24 C +ATOM 726 CG PHE C 103 43.810 37.300 0.456 1.00 37.85 C +ATOM 727 CD1 PHE C 103 44.987 38.000 0.701 1.00 38.06 C +ATOM 728 CD2 PHE C 103 42.766 37.958 -0.193 1.00 39.29 C +ATOM 729 CE1 PHE C 103 45.124 39.336 0.301 1.00 38.74 C +ATOM 730 CE2 PHE C 103 42.895 39.298 -0.596 1.00 35.47 C +ATOM 731 CZ PHE C 103 44.074 39.982 -0.350 1.00 38.48 C +ATOM 732 N ASP C 104 42.096 37.460 3.309 1.00 34.33 N +ATOM 733 CA ASP C 104 40.850 38.096 3.729 1.00 33.96 C +ATOM 734 C ASP C 104 40.207 38.960 2.664 1.00 32.12 C +ATOM 735 O ASP C 104 40.835 39.870 2.126 1.00 35.69 O +ATOM 736 CB ASP C 104 41.071 38.927 4.996 1.00 34.91 C +ATOM 737 CG ASP C 104 41.100 38.074 6.247 1.00 39.44 C +ATOM 738 OD1 ASP C 104 42.046 37.272 6.416 1.00 42.61 O +ATOM 739 OD2 ASP C 104 40.163 38.194 7.058 1.00 44.17 O +ATOM 740 N VAL C 105 38.943 38.670 2.370 1.00 29.02 N +ATOM 741 CA VAL C 105 38.206 39.417 1.373 1.00 30.36 C +ATOM 742 C VAL C 105 36.972 40.050 1.994 1.00 31.66 C +ATOM 743 O VAL C 105 36.190 39.376 2.659 1.00 35.85 O +ATOM 744 CB VAL C 105 37.770 38.506 0.198 1.00 31.04 C +ATOM 745 CG1 VAL C 105 36.960 39.312 -0.823 1.00 29.80 C +ATOM 746 CG2 VAL C 105 38.998 37.892 -0.460 1.00 25.86 C +ATOM 747 N SER C 106 36.812 41.355 1.792 1.00 31.43 N +ATOM 748 CA SER C 106 35.647 42.069 2.304 1.00 31.10 C +ATOM 749 C SER C 106 34.663 42.274 1.167 1.00 28.88 C +ATOM 750 O SER C 106 35.006 42.857 0.136 1.00 26.80 O +ATOM 751 CB SER C 106 36.034 43.425 2.898 1.00 31.99 C +ATOM 752 OG SER C 106 36.421 43.285 4.255 1.00 38.24 O +ATOM 753 N LEU C 107 33.445 41.777 1.362 1.00 26.99 N +ATOM 754 CA LEU C 107 32.395 41.892 0.358 1.00 26.85 C +ATOM 755 C LEU C 107 31.324 42.886 0.782 1.00 27.17 C +ATOM 756 O LEU C 107 30.762 42.773 1.869 1.00 28.32 O +ATOM 757 CB LEU C 107 31.737 40.529 0.107 1.00 25.74 C +ATOM 758 CG LEU C 107 30.579 40.496 -0.902 1.00 25.22 C +ATOM 759 CD1 LEU C 107 31.040 40.979 -2.277 1.00 26.66 C +ATOM 760 CD2 LEU C 107 30.046 39.083 -0.994 1.00 23.14 C +ATOM 761 N GLU C 108 31.049 43.856 -0.085 1.00 24.67 N +ATOM 762 CA GLU C 108 30.036 44.874 0.173 1.00 27.04 C +ATOM 763 C GLU C 108 28.971 44.778 -0.907 1.00 26.60 C +ATOM 764 O GLU C 108 29.265 44.967 -2.091 1.00 27.41 O +ATOM 765 CB GLU C 108 30.665 46.277 0.142 1.00 29.92 C +ATOM 766 CG GLU C 108 29.676 47.445 0.215 1.00 30.84 C +ATOM 767 CD GLU C 108 28.935 47.500 1.537 1.00 35.60 C +ATOM 768 OE1 GLU C 108 29.600 47.334 2.585 1.00 39.24 O +ATOM 769 OE2 GLU C 108 27.698 47.715 1.526 1.00 32.40 O +ATOM 770 N VAL C 109 27.740 44.473 -0.510 1.00 25.70 N +ATOM 771 CA VAL C 109 26.654 44.376 -1.479 1.00 26.02 C +ATOM 772 C VAL C 109 25.796 45.612 -1.324 1.00 26.61 C +ATOM 773 O VAL C 109 25.118 45.772 -0.308 1.00 29.32 O +ATOM 774 CB VAL C 109 25.775 43.126 -1.243 1.00 21.97 C +ATOM 775 CG1 VAL C 109 24.665 43.072 -2.286 1.00 17.94 C +ATOM 776 CG2 VAL C 109 26.634 41.869 -1.305 1.00 21.78 C +ATOM 777 N LEU C 110 25.840 46.489 -2.321 1.00 25.93 N +ATOM 778 CA LEU C 110 25.063 47.720 -2.270 1.00 31.14 C +ATOM 779 C LEU C 110 23.595 47.526 -2.615 1.00 33.92 C +ATOM 780 O LEU C 110 23.211 46.586 -3.312 1.00 33.75 O +ATOM 781 CB LEU C 110 25.663 48.795 -3.189 1.00 28.33 C +ATOM 782 CG LEU C 110 27.006 49.430 -2.812 1.00 27.08 C +ATOM 783 CD1 LEU C 110 27.301 50.526 -3.811 1.00 24.55 C +ATOM 784 CD2 LEU C 110 26.977 50.006 -1.393 1.00 21.49 C +ATOM 785 N GLU C 111 22.782 48.438 -2.100 1.00 40.02 N +ATOM 786 CA GLU C 111 21.349 48.430 -2.317 1.00 46.20 C +ATOM 787 C GLU C 111 21.070 48.775 -3.776 1.00 48.86 C +ATOM 788 O GLU C 111 21.252 49.916 -4.208 1.00 46.97 O +ATOM 789 CB GLU C 111 20.691 49.445 -1.380 1.00 49.82 C +ATOM 790 CG GLU C 111 20.891 49.132 0.109 1.00 57.58 C +ATOM 791 CD GLU C 111 22.364 48.988 0.519 1.00 60.44 C +ATOM 792 OE1 GLU C 111 23.116 49.987 0.460 1.00 58.26 O +ATOM 793 OE2 GLU C 111 22.772 47.868 0.902 1.00 64.46 O +ATOM 794 N HIS C 112 20.653 47.754 -4.521 1.00 52.61 N +ATOM 795 CA HIS C 112 20.323 47.827 -5.947 1.00 55.48 C +ATOM 796 C HIS C 112 19.839 49.183 -6.459 1.00 56.71 C +ATOM 797 O HIS C 112 20.695 50.061 -6.706 1.00 57.33 O +ATOM 798 CB HIS C 112 19.279 46.752 -6.247 1.00 55.78 C +ATOM 799 CG HIS C 112 18.313 46.539 -5.122 1.00 58.35 C +ATOM 800 ND1 HIS C 112 18.719 46.420 -3.809 1.00 56.79 N +ATOM 801 CD2 HIS C 112 16.962 46.449 -5.107 1.00 59.18 C +ATOM 802 CE1 HIS C 112 17.661 46.269 -3.034 1.00 58.48 C +ATOM 803 NE2 HIS C 112 16.582 46.284 -3.797 1.00 59.54 N Added: SwiftApps/modFTdock/input/1xed-4.pdb =================================================================== --- SwiftApps/modFTdock/input/1xed-4.pdb (rev 0) +++ SwiftApps/modFTdock/input/1xed-4.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,804 @@ +ATOM 1 N PRO D 3 11.157 7.311 9.657 1.00 67.05 N +ATOM 2 CA PRO D 3 11.757 8.665 9.583 1.00 67.99 C +ATOM 3 C PRO D 3 12.938 8.667 8.614 1.00 66.92 C +ATOM 4 O PRO D 3 12.770 8.374 7.429 1.00 66.84 O +ATOM 5 CB PRO D 3 12.204 9.028 10.995 1.00 68.07 C +ATOM 6 CG PRO D 3 11.272 8.163 11.840 1.00 67.22 C +ATOM 7 CD PRO D 3 11.149 6.847 11.055 1.00 66.51 C +ATOM 8 N ILE D 4 14.124 9.006 9.118 1.00 65.38 N +ATOM 9 CA ILE D 4 15.328 9.019 8.294 1.00 64.07 C +ATOM 10 C ILE D 4 15.785 7.587 8.081 1.00 62.16 C +ATOM 11 O ILE D 4 16.153 6.905 9.034 1.00 63.26 O +ATOM 12 CB ILE D 4 16.485 9.796 8.959 1.00 64.55 C +ATOM 13 CG1 ILE D 4 16.302 11.295 8.745 1.00 64.89 C +ATOM 14 CG2 ILE D 4 17.815 9.353 8.373 1.00 63.92 C +ATOM 15 CD1 ILE D 4 17.450 12.113 9.271 1.00 66.34 C +ATOM 16 N PHE D 5 15.766 7.145 6.829 1.00 58.66 N +ATOM 17 CA PHE D 5 16.164 5.788 6.475 1.00 55.66 C +ATOM 18 C PHE D 5 17.557 5.766 5.851 1.00 52.93 C +ATOM 19 O PHE D 5 17.943 6.702 5.155 1.00 53.89 O +ATOM 20 CB PHE D 5 15.135 5.202 5.502 1.00 57.30 C +ATOM 21 CG PHE D 5 15.540 3.886 4.896 1.00 59.63 C +ATOM 22 CD1 PHE D 5 15.986 2.836 5.699 1.00 59.30 C +ATOM 23 CD2 PHE D 5 15.446 3.688 3.516 1.00 59.25 C +ATOM 24 CE1 PHE D 5 16.332 1.606 5.135 1.00 59.61 C +ATOM 25 CE2 PHE D 5 15.788 2.461 2.941 1.00 58.97 C +ATOM 26 CZ PHE D 5 16.231 1.418 3.751 1.00 59.26 C +ATOM 27 N GLY D 6 18.313 4.701 6.105 1.00 47.97 N +ATOM 28 CA GLY D 6 19.645 4.603 5.538 1.00 44.10 C +ATOM 29 C GLY D 6 20.203 3.196 5.634 1.00 41.44 C +ATOM 30 O GLY D 6 19.441 2.251 5.845 1.00 41.12 O +ATOM 31 N PRO D 7 21.528 3.018 5.478 1.00 39.32 N +ATOM 32 CA PRO D 7 22.162 1.697 5.553 1.00 38.50 C +ATOM 33 C PRO D 7 22.444 1.336 7.004 1.00 36.85 C +ATOM 34 O PRO D 7 23.287 1.955 7.648 1.00 38.30 O +ATOM 35 CB PRO D 7 23.465 1.873 4.766 1.00 39.18 C +ATOM 36 CG PRO D 7 23.329 3.221 4.079 1.00 41.73 C +ATOM 37 CD PRO D 7 22.509 4.022 5.045 1.00 39.88 C +ATOM 38 N GLU D 8 21.741 0.338 7.519 1.00 34.79 N +ATOM 39 CA GLU D 8 21.935 -0.072 8.900 1.00 33.97 C +ATOM 40 C GLU D 8 23.378 -0.481 9.126 1.00 32.47 C +ATOM 41 O GLU D 8 23.932 -0.260 10.199 1.00 31.35 O +ATOM 42 CB GLU D 8 20.998 -1.229 9.247 1.00 37.42 C +ATOM 43 CG GLU D 8 21.156 -1.790 10.648 1.00 42.46 C +ATOM 44 CD GLU D 8 20.153 -2.899 10.926 1.00 46.34 C +ATOM 45 OE1 GLU D 8 18.944 -2.594 11.008 1.00 48.86 O +ATOM 46 OE2 GLU D 8 20.567 -4.074 11.045 1.00 45.34 O +ATOM 47 N GLU D 9 23.994 -1.067 8.109 1.00 32.83 N +ATOM 48 CA GLU D 9 25.378 -1.501 8.222 1.00 35.20 C +ATOM 49 C GLU D 9 26.102 -1.309 6.887 1.00 33.33 C +ATOM 50 O GLU D 9 25.539 -1.548 5.814 1.00 30.31 O +ATOM 51 CB GLU D 9 25.407 -2.969 8.663 1.00 38.87 C +ATOM 52 CG GLU D 9 24.588 -3.209 9.934 1.00 46.28 C +ATOM 53 CD GLU D 9 23.893 -4.555 9.946 1.00 49.54 C +ATOM 54 OE1 GLU D 9 23.587 -5.068 8.851 1.00 51.96 O +ATOM 55 OE2 GLU D 9 23.634 -5.089 11.046 1.00 50.48 O +ATOM 56 N VAL D 10 27.344 -0.846 6.963 1.00 31.02 N +ATOM 57 CA VAL D 10 28.148 -0.623 5.772 1.00 30.48 C +ATOM 58 C VAL D 10 29.540 -1.186 6.019 1.00 29.74 C +ATOM 59 O VAL D 10 30.168 -0.897 7.041 1.00 30.37 O +ATOM 60 CB VAL D 10 28.264 0.901 5.423 1.00 28.76 C +ATOM 61 CG1 VAL D 10 28.944 1.089 4.073 1.00 27.50 C +ATOM 62 CG2 VAL D 10 26.887 1.541 5.403 1.00 30.14 C +ATOM 63 N ASN D 11 30.018 -2.020 5.105 1.00 31.24 N +ATOM 64 CA ASN D 11 31.360 -2.547 5.271 1.00 31.49 C +ATOM 65 C ASN D 11 32.191 -2.160 4.079 1.00 29.79 C +ATOM 66 O ASN D 11 31.689 -2.021 2.972 1.00 33.92 O +ATOM 67 CB ASN D 11 31.382 -4.059 5.482 1.00 31.52 C +ATOM 68 CG ASN D 11 30.735 -4.802 4.375 1.00 27.27 C +ATOM 69 OD1 ASN D 11 29.535 -4.705 4.182 1.00 32.48 O +ATOM 70 ND2 ASN D 11 31.522 -5.565 3.635 1.00 30.45 N +ATOM 71 N SER D 12 33.470 -1.941 4.330 1.00 30.96 N +ATOM 72 CA SER D 12 34.392 -1.540 3.290 1.00 32.50 C +ATOM 73 C SER D 12 35.773 -2.078 3.626 1.00 32.58 C +ATOM 74 O SER D 12 35.954 -2.784 4.621 1.00 33.80 O +ATOM 75 CB SER D 12 34.428 -0.009 3.179 1.00 33.44 C +ATOM 76 OG SER D 12 35.193 0.410 2.061 1.00 36.03 O +ATOM 77 N VAL D 13 36.743 -1.767 2.776 1.00 29.74 N +ATOM 78 CA VAL D 13 38.099 -2.219 3.006 1.00 31.14 C +ATOM 79 C VAL D 13 39.015 -1.023 3.183 1.00 31.95 C +ATOM 80 O VAL D 13 38.743 0.060 2.661 1.00 29.16 O +ATOM 81 CB VAL D 13 38.611 -3.074 1.843 1.00 31.10 C +ATOM 82 CG1 VAL D 13 39.995 -3.619 2.177 1.00 31.45 C +ATOM 83 CG2 VAL D 13 37.647 -4.215 1.578 1.00 32.69 C +ATOM 84 N GLU D 14 40.089 -1.222 3.942 1.00 32.34 N +ATOM 85 CA GLU D 14 41.065 -0.169 4.193 1.00 37.05 C +ATOM 86 C GLU D 14 41.531 0.495 2.903 1.00 35.51 C +ATOM 87 O GLU D 14 41.864 -0.186 1.931 1.00 36.80 O +ATOM 88 CB GLU D 14 42.295 -0.737 4.893 1.00 39.77 C +ATOM 89 CG GLU D 14 42.061 -1.299 6.265 1.00 46.10 C +ATOM 90 CD GLU D 14 43.372 -1.627 6.954 1.00 49.64 C +ATOM 91 OE1 GLU D 14 44.101 -2.516 6.451 1.00 45.95 O +ATOM 92 OE2 GLU D 14 43.673 -0.983 7.990 1.00 51.30 O +ATOM 93 N GLY D 15 41.568 1.824 2.904 1.00 35.31 N +ATOM 94 CA GLY D 15 42.021 2.551 1.732 1.00 34.27 C +ATOM 95 C GLY D 15 40.926 2.894 0.745 1.00 35.19 C +ATOM 96 O GLY D 15 41.100 3.772 -0.101 1.00 37.65 O +ATOM 97 N ASN D 16 39.799 2.201 0.851 1.00 31.93 N +ATOM 98 CA ASN D 16 38.666 2.426 -0.039 1.00 28.13 C +ATOM 99 C ASN D 16 37.951 3.706 0.366 1.00 25.32 C +ATOM 100 O ASN D 16 38.317 4.355 1.342 1.00 23.63 O +ATOM 101 CB ASN D 16 37.673 1.249 0.059 1.00 28.60 C +ATOM 102 CG ASN D 16 37.955 0.119 -0.946 1.00 27.57 C +ATOM 103 OD1 ASN D 16 39.040 0.016 -1.518 1.00 28.32 O +ATOM 104 ND2 ASN D 16 36.963 -0.743 -1.146 1.00 29.44 N +ATOM 105 N SER D 17 36.950 4.078 -0.421 1.00 25.04 N +ATOM 106 CA SER D 17 36.102 5.226 -0.112 1.00 23.99 C +ATOM 107 C SER D 17 34.729 4.583 -0.018 1.00 23.23 C +ATOM 108 O SER D 17 34.542 3.438 -0.429 1.00 23.40 O +ATOM 109 CB SER D 17 36.077 6.266 -1.246 1.00 18.09 C +ATOM 110 OG SER D 17 37.240 7.078 -1.255 1.00 20.53 O +ATOM 111 N VAL D 18 33.771 5.300 0.540 1.00 25.40 N +ATOM 112 CA VAL D 18 32.421 4.779 0.604 1.00 27.01 C +ATOM 113 C VAL D 18 31.453 5.949 0.746 1.00 28.70 C +ATOM 114 O VAL D 18 31.798 7.005 1.301 1.00 28.01 O +ATOM 115 CB VAL D 18 32.251 3.746 1.756 1.00 27.59 C +ATOM 116 CG1 VAL D 18 32.571 4.380 3.097 1.00 25.37 C +ATOM 117 CG2 VAL D 18 30.833 3.179 1.731 1.00 26.30 C +ATOM 118 N SER D 19 30.259 5.778 0.193 1.00 29.32 N +ATOM 119 CA SER D 19 29.246 6.816 0.264 1.00 32.09 C +ATOM 120 C SER D 19 28.045 6.247 1.016 1.00 33.15 C +ATOM 121 O SER D 19 27.635 5.110 0.785 1.00 34.17 O +ATOM 122 CB SER D 19 28.852 7.277 -1.145 1.00 31.40 C +ATOM 123 OG SER D 19 28.086 6.301 -1.828 1.00 37.97 O +ATOM 124 N ILE D 20 27.509 7.035 1.939 1.00 31.91 N +ATOM 125 CA ILE D 20 26.372 6.622 2.743 1.00 30.00 C +ATOM 126 C ILE D 20 25.214 7.555 2.455 1.00 27.68 C +ATOM 127 O ILE D 20 25.329 8.766 2.608 1.00 27.74 O +ATOM 128 CB ILE D 20 26.743 6.641 4.228 1.00 32.46 C +ATOM 129 CG1 ILE D 20 28.042 5.845 4.413 1.00 32.57 C +ATOM 130 CG2 ILE D 20 25.608 6.051 5.064 1.00 32.73 C +ATOM 131 CD1 ILE D 20 28.629 5.911 5.787 1.00 35.52 C +ATOM 132 N THR D 21 24.101 6.976 2.018 1.00 28.13 N +ATOM 133 CA THR D 21 22.919 7.757 1.674 1.00 31.82 C +ATOM 134 C THR D 21 21.781 7.603 2.668 1.00 33.29 C +ATOM 135 O THR D 21 21.322 6.491 2.940 1.00 31.88 O +ATOM 136 CB THR D 21 22.380 7.376 0.288 1.00 30.10 C +ATOM 137 OG1 THR D 21 23.441 7.477 -0.672 1.00 33.30 O +ATOM 138 CG2 THR D 21 21.224 8.304 -0.112 1.00 26.32 C +ATOM 139 N CYS D 22 21.321 8.735 3.194 1.00 34.46 N +ATOM 140 CA CYS D 22 20.228 8.751 4.155 1.00 33.48 C +ATOM 141 C CYS D 22 19.016 9.479 3.583 1.00 32.23 C +ATOM 142 O CYS D 22 19.150 10.526 2.952 1.00 28.80 O +ATOM 143 CB CYS D 22 20.706 9.398 5.463 1.00 33.44 C +ATOM 144 SG CYS D 22 21.761 8.264 6.418 1.00 31.11 S +ATOM 145 N TYR D 23 17.834 8.901 3.793 1.00 35.14 N +ATOM 146 CA TYR D 23 16.592 9.478 3.295 1.00 34.84 C +ATOM 147 C TYR D 23 15.755 10.070 4.409 1.00 35.71 C +ATOM 148 O TYR D 23 15.752 9.576 5.537 1.00 36.27 O +ATOM 149 CB TYR D 23 15.761 8.432 2.545 1.00 33.55 C +ATOM 150 CG TYR D 23 16.371 7.973 1.237 1.00 36.44 C +ATOM 151 CD1 TYR D 23 17.532 7.196 1.216 1.00 35.72 C +ATOM 152 CD2 TYR D 23 15.793 8.327 0.014 1.00 35.05 C +ATOM 153 CE1 TYR D 23 18.107 6.783 0.004 1.00 37.40 C +ATOM 154 CE2 TYR D 23 16.359 7.919 -1.202 1.00 37.00 C +ATOM 155 CZ TYR D 23 17.517 7.149 -1.204 1.00 36.91 C +ATOM 156 OH TYR D 23 18.088 6.757 -2.405 1.00 28.72 O +ATOM 157 N TYR D 24 15.058 11.150 4.078 1.00 36.58 N +ATOM 158 CA TYR D 24 14.190 11.827 5.026 1.00 34.88 C +ATOM 159 C TYR D 24 12.965 12.336 4.277 1.00 37.29 C +ATOM 160 O TYR D 24 12.999 12.521 3.058 1.00 35.90 O +ATOM 161 CB TYR D 24 14.937 12.975 5.722 1.00 35.49 C +ATOM 162 CG TYR D 24 15.381 14.106 4.817 1.00 31.40 C +ATOM 163 CD1 TYR D 24 14.460 15.009 4.293 1.00 29.59 C +ATOM 164 CD2 TYR D 24 16.720 14.267 4.483 1.00 30.33 C +ATOM 165 CE1 TYR D 24 14.860 16.044 3.458 1.00 32.22 C +ATOM 166 CE2 TYR D 24 17.130 15.299 3.647 1.00 36.09 C +ATOM 167 CZ TYR D 24 16.191 16.183 3.137 1.00 32.19 C +ATOM 168 OH TYR D 24 16.587 17.198 2.301 1.00 38.40 O +ATOM 169 N PRO D 25 11.847 12.525 4.990 1.00 40.91 N +ATOM 170 CA PRO D 25 10.630 13.013 4.338 1.00 42.48 C +ATOM 171 C PRO D 25 10.891 14.440 3.867 1.00 44.71 C +ATOM 172 O PRO D 25 11.117 15.338 4.676 1.00 45.85 O +ATOM 173 CB PRO D 25 9.597 12.935 5.452 1.00 40.88 C +ATOM 174 CG PRO D 25 10.415 13.281 6.668 1.00 42.88 C +ATOM 175 CD PRO D 25 11.678 12.468 6.455 1.00 41.69 C +ATOM 176 N PRO D 26 10.875 14.661 2.548 1.00 46.64 N +ATOM 177 CA PRO D 26 11.119 15.979 1.955 1.00 50.02 C +ATOM 178 C PRO D 26 10.060 17.053 2.208 1.00 53.06 C +ATOM 179 O PRO D 26 9.224 17.312 1.343 1.00 54.18 O +ATOM 180 CB PRO D 26 11.263 15.658 0.473 1.00 50.01 C +ATOM 181 CG PRO D 26 10.301 14.520 0.306 1.00 49.92 C +ATOM 182 CD PRO D 26 10.602 13.659 1.504 1.00 47.12 C +ATOM 183 N THR D 27 10.099 17.677 3.386 1.00 55.74 N +ATOM 184 CA THR D 27 9.149 18.739 3.716 1.00 56.41 C +ATOM 185 C THR D 27 9.886 20.067 3.600 1.00 58.82 C +ATOM 186 O THR D 27 11.051 20.102 3.203 1.00 57.66 O +ATOM 187 CB THR D 27 8.589 18.614 5.162 1.00 54.76 C +ATOM 188 OG1 THR D 27 9.625 18.896 6.112 1.00 55.56 O +ATOM 189 CG2 THR D 27 8.042 17.220 5.410 1.00 53.26 C +ATOM 190 N SER D 28 9.205 21.159 3.933 1.00 63.13 N +ATOM 191 CA SER D 28 9.826 22.475 3.870 1.00 66.86 C +ATOM 192 C SER D 28 10.904 22.511 4.942 1.00 68.08 C +ATOM 193 O SER D 28 12.027 22.953 4.699 1.00 69.31 O +ATOM 194 CB SER D 28 8.785 23.580 4.118 1.00 68.99 C +ATOM 195 OG SER D 28 8.142 23.436 5.377 1.00 70.85 O +ATOM 196 N VAL D 29 10.548 22.026 6.128 1.00 69.78 N +ATOM 197 CA VAL D 29 11.470 21.981 7.254 1.00 70.09 C +ATOM 198 C VAL D 29 12.680 21.137 6.888 1.00 70.12 C +ATOM 199 O VAL D 29 13.774 21.661 6.680 1.00 70.93 O +ATOM 200 CB VAL D 29 10.797 21.367 8.505 1.00 70.50 C +ATOM 201 CG1 VAL D 29 11.836 21.132 9.603 1.00 70.23 C +ATOM 202 CG2 VAL D 29 9.696 22.292 9.003 1.00 70.57 C +ATOM 203 N ASN D 30 12.465 19.828 6.802 1.00 69.26 N +ATOM 204 CA ASN D 30 13.523 18.879 6.474 1.00 68.48 C +ATOM 205 C ASN D 30 14.554 19.406 5.468 1.00 67.60 C +ATOM 206 O ASN D 30 15.742 19.098 5.580 1.00 68.01 O +ATOM 207 CB ASN D 30 12.903 17.572 5.962 1.00 68.30 C +ATOM 208 CG ASN D 30 12.099 16.846 7.032 1.00 67.35 C +ATOM 209 OD1 ASN D 30 12.645 16.401 8.039 1.00 67.53 O +ATOM 210 ND2 ASN D 30 10.796 16.726 6.816 1.00 68.18 N +ATOM 211 N ARG D 31 14.110 20.197 4.492 1.00 66.26 N +ATOM 212 CA ARG D 31 15.027 20.747 3.495 1.00 63.89 C +ATOM 213 C ARG D 31 15.942 21.781 4.133 1.00 62.16 C +ATOM 214 O ARG D 31 17.163 21.657 4.069 1.00 63.09 O +ATOM 215 CB ARG D 31 14.261 21.403 2.347 1.00 64.75 C +ATOM 216 CG ARG D 31 13.434 20.454 1.498 1.00 65.23 C +ATOM 217 CD ARG D 31 12.800 21.225 0.357 1.00 66.78 C +ATOM 218 NE ARG D 31 12.050 22.379 0.851 1.00 69.59 N +ATOM 219 CZ ARG D 31 11.613 23.381 0.090 1.00 70.77 C +ATOM 220 NH1 ARG D 31 11.848 23.382 -1.216 1.00 69.22 N +ATOM 221 NH2 ARG D 31 10.942 24.388 0.636 1.00 70.62 N +ATOM 222 N HIS D 32 15.347 22.799 4.750 1.00 59.56 N +ATOM 223 CA HIS D 32 16.118 23.860 5.399 1.00 57.32 C +ATOM 224 C HIS D 32 16.925 23.335 6.585 1.00 52.79 C +ATOM 225 O HIS D 32 17.991 23.865 6.904 1.00 53.25 O +ATOM 226 CB HIS D 32 15.194 24.974 5.906 1.00 59.56 C +ATOM 227 CG HIS D 32 14.225 25.482 4.885 1.00 61.08 C +ATOM 228 ND1 HIS D 32 14.604 25.840 3.609 1.00 62.01 N +ATOM 229 CD2 HIS D 32 12.897 25.733 4.968 1.00 61.50 C +ATOM 230 CE1 HIS D 32 13.551 26.291 2.950 1.00 63.47 C +ATOM 231 NE2 HIS D 32 12.502 26.237 3.752 1.00 64.18 N +ATOM 232 N THR D 33 16.398 22.301 7.235 1.00 47.44 N +ATOM 233 CA THR D 33 17.024 21.686 8.407 1.00 43.65 C +ATOM 234 C THR D 33 18.481 21.318 8.159 1.00 40.65 C +ATOM 235 O THR D 33 18.849 20.967 7.040 1.00 40.85 O +ATOM 236 CB THR D 33 16.290 20.387 8.813 1.00 43.22 C +ATOM 237 OG1 THR D 33 14.873 20.567 8.696 1.00 45.41 O +ATOM 238 CG2 THR D 33 16.618 20.026 10.240 1.00 41.67 C +ATOM 239 N ARG D 34 19.315 21.389 9.192 1.00 35.01 N +ATOM 240 CA ARG D 34 20.707 21.014 9.001 1.00 34.68 C +ATOM 241 C ARG D 34 20.775 19.489 8.933 1.00 33.86 C +ATOM 242 O ARG D 34 19.946 18.796 9.522 1.00 34.71 O +ATOM 243 CB ARG D 34 21.587 21.517 10.144 1.00 33.63 C +ATOM 244 CG ARG D 34 21.607 20.623 11.355 1.00 35.76 C +ATOM 245 CD ARG D 34 22.959 20.665 12.042 1.00 35.43 C +ATOM 246 NE ARG D 34 23.061 19.627 13.066 1.00 37.42 N +ATOM 247 CZ ARG D 34 24.200 19.242 13.634 1.00 35.95 C +ATOM 248 NH1 ARG D 34 25.347 19.804 13.281 1.00 33.65 N +ATOM 249 NH2 ARG D 34 24.191 18.288 14.555 1.00 39.52 N +ATOM 250 N LYS D 35 21.754 18.973 8.198 1.00 32.43 N +ATOM 251 CA LYS D 35 21.937 17.533 8.044 1.00 29.42 C +ATOM 252 C LYS D 35 23.267 17.221 8.698 1.00 27.37 C +ATOM 253 O LYS D 35 24.213 17.992 8.564 1.00 28.75 O +ATOM 254 CB LYS D 35 21.994 17.164 6.560 1.00 30.63 C +ATOM 255 CG LYS D 35 20.923 17.814 5.702 1.00 25.47 C +ATOM 256 CD LYS D 35 19.548 17.503 6.222 1.00 27.12 C +ATOM 257 CE LYS D 35 18.479 17.973 5.256 1.00 30.55 C +ATOM 258 NZ LYS D 35 18.585 19.427 4.965 1.00 32.43 N +ATOM 259 N TYR D 36 23.360 16.105 9.409 1.00 28.35 N +ATOM 260 CA TYR D 36 24.619 15.787 10.065 1.00 26.64 C +ATOM 261 C TYR D 36 24.996 14.318 10.027 1.00 24.57 C +ATOM 262 O TYR D 36 24.164 13.440 9.802 1.00 21.98 O +ATOM 263 CB TYR D 36 24.589 16.257 11.530 1.00 32.64 C +ATOM 264 CG TYR D 36 23.626 15.468 12.391 1.00 36.58 C +ATOM 265 CD1 TYR D 36 23.945 14.173 12.828 1.00 38.34 C +ATOM 266 CD2 TYR D 36 22.361 15.974 12.691 1.00 36.44 C +ATOM 267 CE1 TYR D 36 23.024 13.397 13.531 1.00 40.10 C +ATOM 268 CE2 TYR D 36 21.433 15.210 13.397 1.00 42.25 C +ATOM 269 CZ TYR D 36 21.769 13.922 13.809 1.00 42.63 C +ATOM 270 OH TYR D 36 20.837 13.158 14.468 1.00 44.26 O +ATOM 271 N TRP D 37 26.279 14.082 10.261 1.00 23.89 N +ATOM 272 CA TRP D 37 26.863 12.758 10.301 1.00 24.01 C +ATOM 273 C TRP D 37 27.750 12.788 11.537 1.00 23.44 C +ATOM 274 O TRP D 37 28.702 13.564 11.599 1.00 28.10 O +ATOM 275 CB TRP D 37 27.690 12.533 9.036 1.00 20.04 C +ATOM 276 CG TRP D 37 28.536 11.302 9.055 1.00 20.11 C +ATOM 277 CD1 TRP D 37 29.887 11.251 9.151 1.00 19.83 C +ATOM 278 CD2 TRP D 37 28.088 9.944 8.958 1.00 19.22 C +ATOM 279 NE1 TRP D 37 30.318 9.951 9.116 1.00 19.78 N +ATOM 280 CE2 TRP D 37 29.234 9.125 8.998 1.00 16.99 C +ATOM 281 CE3 TRP D 37 26.829 9.340 8.841 1.00 18.19 C +ATOM 282 CZ2 TRP D 37 29.165 7.728 8.924 1.00 18.69 C +ATOM 283 CZ3 TRP D 37 26.759 7.948 8.768 1.00 17.82 C +ATOM 284 CH2 TRP D 37 27.921 7.160 8.809 1.00 16.50 C +ATOM 285 N CYS D 38 27.428 11.970 12.529 1.00 25.50 N +ATOM 286 CA CYS D 38 28.220 11.944 13.756 1.00 32.12 C +ATOM 287 C CYS D 38 28.617 10.538 14.186 1.00 31.91 C +ATOM 288 O CYS D 38 28.037 9.545 13.742 1.00 31.37 O +ATOM 289 CB CYS D 38 27.447 12.621 14.894 1.00 38.76 C +ATOM 290 SG CYS D 38 25.803 11.903 15.261 1.00 49.99 S +ATOM 291 N ARG D 39 29.608 10.467 15.065 1.00 31.26 N +ATOM 292 CA ARG D 39 30.086 9.193 15.565 1.00 35.97 C +ATOM 293 C ARG D 39 29.729 9.011 17.041 1.00 36.94 C +ATOM 294 O ARG D 39 29.805 9.956 17.830 1.00 35.97 O +ATOM 295 CB ARG D 39 31.597 9.109 15.375 1.00 34.01 C +ATOM 296 CG ARG D 39 32.178 7.759 15.700 1.00 35.35 C +ATOM 297 CD ARG D 39 33.581 7.666 15.175 1.00 35.38 C +ATOM 298 NE ARG D 39 34.092 6.312 15.286 1.00 36.41 N +ATOM 299 CZ ARG D 39 35.258 5.921 14.792 1.00 39.61 C +ATOM 300 NH1 ARG D 39 36.039 6.789 14.153 1.00 37.46 N +ATOM 301 NH2 ARG D 39 35.639 4.658 14.933 1.00 42.39 N +ATOM 302 N GLN D 40 29.370 7.783 17.407 1.00 39.14 N +ATOM 303 CA GLN D 40 29.010 7.450 18.783 1.00 42.48 C +ATOM 304 C GLN D 40 30.125 7.751 19.782 1.00 40.38 C +ATOM 305 O GLN D 40 31.222 7.205 19.683 1.00 41.17 O +ATOM 306 CB GLN D 40 28.634 5.975 18.866 1.00 45.93 C +ATOM 307 CG GLN D 40 27.304 5.659 18.211 1.00 52.58 C +ATOM 308 CD GLN D 40 26.122 6.113 19.047 1.00 57.20 C +ATOM 309 OE1 GLN D 40 25.818 5.521 20.087 1.00 60.52 O +ATOM 310 NE2 GLN D 40 25.454 7.174 18.603 1.00 59.12 N +ATOM 311 N CYS D 46 27.081 11.805 20.497 1.00 47.46 N +ATOM 312 CA CYS D 46 27.311 11.656 19.065 1.00 48.22 C +ATOM 313 C CYS D 46 28.055 12.887 18.556 1.00 48.37 C +ATOM 314 O CYS D 46 27.465 13.944 18.343 1.00 48.42 O +ATOM 315 CB CYS D 46 25.983 11.498 18.319 1.00 46.85 C +ATOM 316 SG CYS D 46 26.145 10.558 16.763 1.00 53.87 S +ATOM 317 N ILE D 47 29.358 12.731 18.357 1.00 46.42 N +ATOM 318 CA ILE D 47 30.224 13.815 17.908 1.00 44.27 C +ATOM 319 C ILE D 47 30.084 14.121 16.417 1.00 42.44 C +ATOM 320 O ILE D 47 30.366 13.261 15.587 1.00 41.00 O +ATOM 321 CB ILE D 47 31.722 13.462 18.167 1.00 45.26 C +ATOM 322 CG1 ILE D 47 31.909 12.903 19.581 1.00 44.77 C +ATOM 323 CG2 ILE D 47 32.594 14.683 17.952 1.00 43.31 C +ATOM 324 CD1 ILE D 47 31.810 11.378 19.664 1.00 45.39 C +ATOM 325 N THR D 48 29.687 15.346 16.074 1.00 40.69 N +ATOM 326 CA THR D 48 29.549 15.709 14.662 1.00 37.86 C +ATOM 327 C THR D 48 30.880 15.648 13.921 1.00 34.70 C +ATOM 328 O THR D 48 31.889 16.192 14.369 1.00 35.30 O +ATOM 329 CB THR D 48 28.921 17.120 14.470 1.00 35.11 C +ATOM 330 OG1 THR D 48 27.499 17.043 14.645 1.00 33.66 O +ATOM 331 CG2 THR D 48 29.203 17.646 13.077 1.00 34.84 C +ATOM 332 N LEU D 49 30.872 14.956 12.786 1.00 33.44 N +ATOM 333 CA LEU D 49 32.062 14.827 11.961 1.00 29.40 C +ATOM 334 C LEU D 49 31.951 15.762 10.755 1.00 29.16 C +ATOM 335 O LEU D 49 32.948 16.318 10.287 1.00 27.70 O +ATOM 336 CB LEU D 49 32.232 13.376 11.511 1.00 28.85 C +ATOM 337 CG LEU D 49 32.695 12.439 12.628 1.00 26.46 C +ATOM 338 CD1 LEU D 49 32.711 11.007 12.133 1.00 27.13 C +ATOM 339 CD2 LEU D 49 34.072 12.855 13.085 1.00 23.65 C +ATOM 340 N ILE D 50 30.725 15.943 10.273 1.00 26.33 N +ATOM 341 CA ILE D 50 30.467 16.813 9.138 1.00 27.08 C +ATOM 342 C ILE D 50 28.976 17.156 9.089 1.00 26.95 C +ATOM 343 O ILE D 50 28.134 16.305 9.368 1.00 28.62 O +ATOM 344 CB ILE D 50 30.910 16.128 7.813 1.00 25.60 C +ATOM 345 CG1 ILE D 50 30.703 17.084 6.633 1.00 28.28 C +ATOM 346 CG2 ILE D 50 30.155 14.821 7.620 1.00 21.82 C +ATOM 347 CD1 ILE D 50 31.232 16.557 5.311 1.00 26.72 C +ATOM 348 N SER D 51 28.655 18.408 8.761 1.00 27.79 N +ATOM 349 CA SER D 51 27.257 18.852 8.667 1.00 26.01 C +ATOM 350 C SER D 51 27.053 19.714 7.424 1.00 26.84 C +ATOM 351 O SER D 51 28.017 20.155 6.803 1.00 26.43 O +ATOM 352 CB SER D 51 26.847 19.665 9.902 1.00 27.95 C +ATOM 353 OG SER D 51 27.326 21.001 9.830 1.00 28.40 O +ATOM 354 N SER D 52 25.796 19.975 7.076 1.00 28.50 N +ATOM 355 CA SER D 52 25.487 20.783 5.900 1.00 30.51 C +ATOM 356 C SER D 52 25.431 22.274 6.218 1.00 32.77 C +ATOM 357 O SER D 52 25.019 23.074 5.375 1.00 35.16 O +ATOM 358 CB SER D 52 24.151 20.344 5.298 1.00 28.88 C +ATOM 359 OG SER D 52 23.084 20.566 6.200 1.00 28.43 O +ATOM 360 N GLU D 53 25.856 22.646 7.424 1.00 32.66 N +ATOM 361 CA GLU D 53 25.829 24.043 7.848 1.00 34.96 C +ATOM 362 C GLU D 53 27.174 24.774 7.873 1.00 35.82 C +ATOM 363 O GLU D 53 27.292 25.825 8.496 1.00 36.47 O +ATOM 364 CB GLU D 53 25.182 24.146 9.226 1.00 36.71 C +ATOM 365 CG GLU D 53 23.774 23.610 9.284 1.00 40.44 C +ATOM 366 CD GLU D 53 22.797 24.449 8.492 1.00 43.81 C +ATOM 367 OE1 GLU D 53 23.000 24.612 7.271 1.00 47.19 O +ATOM 368 OE2 GLU D 53 21.820 24.947 9.091 1.00 47.37 O +ATOM 369 N GLY D 54 28.187 24.226 7.213 1.00 34.49 N +ATOM 370 CA GLY D 54 29.479 24.898 7.181 1.00 35.65 C +ATOM 371 C GLY D 54 30.561 24.370 8.105 1.00 34.12 C +ATOM 372 O GLY D 54 31.585 25.031 8.308 1.00 32.40 O +ATOM 373 N TYR D 55 30.344 23.174 8.643 1.00 33.84 N +ATOM 374 CA TYR D 55 31.287 22.554 9.563 1.00 33.26 C +ATOM 375 C TYR D 55 31.790 21.184 9.112 1.00 33.87 C +ATOM 376 O TYR D 55 31.028 20.348 8.629 1.00 32.28 O +ATOM 377 CB TYR D 55 30.638 22.414 10.948 1.00 31.50 C +ATOM 378 CG TYR D 55 31.484 21.671 11.958 1.00 32.17 C +ATOM 379 CD1 TYR D 55 32.635 22.252 12.493 1.00 33.92 C +ATOM 380 CD2 TYR D 55 31.145 20.379 12.366 1.00 30.10 C +ATOM 381 CE1 TYR D 55 33.435 21.564 13.411 1.00 34.56 C +ATOM 382 CE2 TYR D 55 31.935 19.682 13.284 1.00 31.66 C +ATOM 383 CZ TYR D 55 33.080 20.282 13.802 1.00 32.99 C +ATOM 384 OH TYR D 55 33.868 19.609 14.708 1.00 33.15 O +ATOM 385 N VAL D 56 33.090 20.976 9.277 1.00 39.02 N +ATOM 386 CA VAL D 56 33.737 19.711 8.951 1.00 42.90 C +ATOM 387 C VAL D 56 34.944 19.608 9.875 1.00 43.94 C +ATOM 388 O VAL D 56 35.846 20.443 9.830 1.00 46.09 O +ATOM 389 CB VAL D 56 34.189 19.640 7.459 1.00 43.64 C +ATOM 390 CG1 VAL D 56 35.356 20.581 7.200 1.00 46.21 C +ATOM 391 CG2 VAL D 56 34.562 18.212 7.102 1.00 43.64 C +ATOM 392 N SER D 57 34.937 18.604 10.744 1.00 45.73 N +ATOM 393 CA SER D 57 36.038 18.408 11.679 1.00 47.46 C +ATOM 394 C SER D 57 37.352 18.240 10.919 1.00 50.01 C +ATOM 395 O SER D 57 37.387 17.602 9.866 1.00 51.58 O +ATOM 396 CB SER D 57 35.775 17.172 12.541 1.00 46.17 C +ATOM 397 OG SER D 57 35.450 16.054 11.732 1.00 45.46 O +ATOM 398 N SER D 58 38.429 18.822 11.444 1.00 51.23 N +ATOM 399 CA SER D 58 39.736 18.706 10.804 1.00 50.15 C +ATOM 400 C SER D 58 40.015 17.222 10.569 1.00 49.28 C +ATOM 401 O SER D 58 40.785 16.854 9.675 1.00 50.68 O +ATOM 402 CB SER D 58 40.834 19.320 11.689 1.00 53.25 C +ATOM 403 OG SER D 58 41.004 18.610 12.909 1.00 52.94 O +ATOM 404 N LYS D 59 39.374 16.378 11.377 1.00 45.22 N +ATOM 405 CA LYS D 59 39.516 14.933 11.271 1.00 42.03 C +ATOM 406 C LYS D 59 38.940 14.464 9.932 1.00 41.70 C +ATOM 407 O LYS D 59 39.415 13.487 9.351 1.00 45.36 O +ATOM 408 CB LYS D 59 38.790 14.251 12.430 1.00 41.70 C +ATOM 409 N TYR D 60 37.917 15.163 9.444 1.00 36.95 N +ATOM 410 CA TYR D 60 37.296 14.815 8.171 1.00 33.85 C +ATOM 411 C TYR D 60 37.756 15.727 7.053 1.00 32.93 C +ATOM 412 O TYR D 60 37.996 15.276 5.937 1.00 33.86 O +ATOM 413 CB TYR D 60 35.771 14.890 8.268 1.00 32.66 C +ATOM 414 CG TYR D 60 35.091 13.552 8.450 1.00 32.64 C +ATOM 415 CD1 TYR D 60 33.754 13.373 8.086 1.00 33.70 C +ATOM 416 CD2 TYR D 60 35.781 12.458 8.978 1.00 34.79 C +ATOM 417 CE1 TYR D 60 33.118 12.127 8.240 1.00 34.10 C +ATOM 418 CE2 TYR D 60 35.157 11.208 9.136 1.00 33.64 C +ATOM 419 CZ TYR D 60 33.830 11.051 8.764 1.00 32.18 C +ATOM 420 OH TYR D 60 33.224 9.821 8.898 1.00 28.68 O +ATOM 421 N ALA D 61 37.872 17.015 7.359 1.00 33.87 N +ATOM 422 CA ALA D 61 38.289 18.012 6.380 1.00 31.62 C +ATOM 423 C ALA D 61 39.238 17.432 5.340 1.00 33.65 C +ATOM 424 O ALA D 61 40.328 16.955 5.666 1.00 36.78 O +ATOM 425 CB ALA D 61 38.942 19.202 7.084 1.00 32.10 C +ATOM 426 N GLY D 62 38.809 17.458 4.083 1.00 32.42 N +ATOM 427 CA GLY D 62 39.646 16.942 3.021 1.00 31.13 C +ATOM 428 C GLY D 62 39.384 15.500 2.640 1.00 31.83 C +ATOM 429 O GLY D 62 39.567 15.133 1.480 1.00 31.85 O +ATOM 430 N ARG D 63 38.955 14.676 3.592 1.00 27.25 N +ATOM 431 CA ARG D 63 38.699 13.269 3.290 1.00 27.59 C +ATOM 432 C ARG D 63 37.227 12.902 3.311 1.00 25.20 C +ATOM 433 O ARG D 63 36.891 11.724 3.350 1.00 23.49 O +ATOM 434 CB ARG D 63 39.434 12.369 4.284 1.00 27.98 C +ATOM 435 CG ARG D 63 39.038 12.617 5.736 1.00 31.75 C +ATOM 436 CD ARG D 63 39.673 11.623 6.691 1.00 31.69 C +ATOM 437 NE ARG D 63 39.318 10.241 6.376 1.00 30.19 N +ATOM 438 CZ ARG D 63 38.807 9.382 7.252 1.00 29.06 C +ATOM 439 NH1 ARG D 63 38.587 9.761 8.503 1.00 31.00 N +ATOM 440 NH2 ARG D 63 38.520 8.142 6.878 1.00 29.65 N +ATOM 441 N ALA D 64 36.353 13.900 3.275 1.00 23.26 N +ATOM 442 CA ALA D 64 34.924 13.634 3.330 1.00 23.78 C +ATOM 443 C ALA D 64 34.066 14.788 2.835 1.00 23.69 C +ATOM 444 O ALA D 64 34.499 15.942 2.803 1.00 24.37 O +ATOM 445 CB ALA D 64 34.528 13.286 4.766 1.00 25.48 C +ATOM 446 N ASN D 65 32.829 14.466 2.481 1.00 24.32 N +ATOM 447 CA ASN D 65 31.888 15.460 1.986 1.00 24.60 C +ATOM 448 C ASN D 65 30.442 15.064 2.297 1.00 26.77 C +ATOM 449 O ASN D 65 30.101 13.874 2.346 1.00 25.75 O +ATOM 450 CB ASN D 65 32.080 15.637 0.467 1.00 23.94 C +ATOM 451 CG ASN D 65 31.177 16.709 -0.120 1.00 23.52 C +ATOM 452 OD1 ASN D 65 30.850 17.688 0.545 1.00 26.17 O +ATOM 453 ND2 ASN D 65 30.782 16.532 -1.379 1.00 23.13 N +ATOM 454 N LEU D 66 29.601 16.068 2.532 1.00 24.45 N +ATOM 455 CA LEU D 66 28.186 15.840 2.794 1.00 24.42 C +ATOM 456 C LEU D 66 27.423 16.685 1.784 1.00 20.62 C +ATOM 457 O LEU D 66 27.646 17.887 1.682 1.00 23.36 O +ATOM 458 CB LEU D 66 27.816 16.241 4.230 1.00 22.30 C +ATOM 459 CG LEU D 66 26.398 15.898 4.733 1.00 21.48 C +ATOM 460 CD1 LEU D 66 26.432 15.679 6.250 1.00 19.59 C +ATOM 461 CD2 LEU D 66 25.418 17.005 4.375 1.00 19.27 C +ATOM 462 N THR D 67 26.544 16.039 1.027 1.00 24.72 N +ATOM 463 CA THR D 67 25.743 16.705 -0.002 1.00 28.16 C +ATOM 464 C THR D 67 24.268 16.462 0.273 1.00 28.98 C +ATOM 465 O THR D 67 23.874 15.336 0.577 1.00 30.13 O +ATOM 466 CB THR D 67 26.056 16.143 -1.414 1.00 28.93 C +ATOM 467 OG1 THR D 67 27.473 16.128 -1.624 1.00 31.14 O +ATOM 468 CG2 THR D 67 25.400 16.999 -2.487 1.00 30.62 C +ATOM 469 N ASN D 68 23.452 17.508 0.160 1.00 29.98 N +ATOM 470 CA ASN D 68 22.009 17.384 0.399 1.00 29.01 C +ATOM 471 C ASN D 68 21.234 17.585 -0.904 1.00 25.58 C +ATOM 472 O ASN D 68 21.558 18.454 -1.716 1.00 22.63 O +ATOM 473 CB ASN D 68 21.538 18.418 1.440 1.00 29.70 C +ATOM 474 CG ASN D 68 20.114 18.157 1.940 1.00 30.11 C +ATOM 475 OD1 ASN D 68 19.425 19.078 2.370 1.00 33.44 O +ATOM 476 ND2 ASN D 68 19.683 16.903 1.899 1.00 28.26 N +ATOM 477 N PHE D 69 20.214 16.761 -1.096 1.00 26.60 N +ATOM 478 CA PHE D 69 19.369 16.836 -2.276 1.00 28.35 C +ATOM 479 C PHE D 69 17.919 16.943 -1.821 1.00 30.31 C +ATOM 480 O PHE D 69 17.208 15.940 -1.737 1.00 31.38 O +ATOM 481 CB PHE D 69 19.553 15.595 -3.166 1.00 27.08 C +ATOM 482 CG PHE D 69 20.922 15.491 -3.804 1.00 29.02 C +ATOM 483 CD1 PHE D 69 21.845 14.547 -3.358 1.00 26.39 C +ATOM 484 CD2 PHE D 69 21.281 16.331 -4.859 1.00 27.27 C +ATOM 485 CE1 PHE D 69 23.104 14.440 -3.955 1.00 31.51 C +ATOM 486 CE2 PHE D 69 22.537 16.234 -5.462 1.00 27.76 C +ATOM 487 CZ PHE D 69 23.451 15.285 -5.010 1.00 29.45 C +ATOM 488 N PRO D 70 17.466 18.169 -1.508 1.00 33.33 N +ATOM 489 CA PRO D 70 16.097 18.431 -1.057 1.00 32.10 C +ATOM 490 C PRO D 70 15.078 17.954 -2.083 1.00 33.30 C +ATOM 491 O PRO D 70 13.977 17.536 -1.726 1.00 37.17 O +ATOM 492 CB PRO D 70 16.069 19.948 -0.898 1.00 32.55 C +ATOM 493 CG PRO D 70 17.483 20.279 -0.578 1.00 34.02 C +ATOM 494 CD PRO D 70 18.248 19.416 -1.538 1.00 32.84 C +ATOM 495 N GLU D 71 15.445 18.037 -3.359 1.00 32.68 N +ATOM 496 CA GLU D 71 14.568 17.603 -4.435 1.00 31.45 C +ATOM 497 C GLU D 71 13.962 16.223 -4.127 1.00 31.97 C +ATOM 498 O GLU D 71 12.747 16.040 -4.232 1.00 29.42 O +ATOM 499 CB GLU D 71 15.340 17.565 -5.741 1.00 35.28 C +ATOM 500 N ASN D 72 14.797 15.251 -3.751 1.00 30.56 N +ATOM 501 CA ASN D 72 14.275 13.924 -3.420 1.00 29.62 C +ATOM 502 C ASN D 72 14.554 13.467 -1.977 1.00 30.47 C +ATOM 503 O ASN D 72 14.680 12.270 -1.706 1.00 29.49 O +ATOM 504 CB ASN D 72 14.784 12.867 -4.409 1.00 29.43 C +ATOM 505 CG ASN D 72 16.257 12.582 -4.262 1.00 29.38 C +ATOM 506 OD1 ASN D 72 16.755 11.575 -4.781 1.00 24.79 O +ATOM 507 ND2 ASN D 72 16.971 13.464 -3.564 1.00 28.62 N +ATOM 508 N GLY D 73 14.644 14.432 -1.062 1.00 29.68 N +ATOM 509 CA GLY D 73 14.866 14.137 0.345 1.00 29.92 C +ATOM 510 C GLY D 73 15.931 13.116 0.691 1.00 30.67 C +ATOM 511 O GLY D 73 15.658 12.088 1.312 1.00 31.46 O +ATOM 512 N THR D 74 17.158 13.411 0.290 1.00 31.33 N +ATOM 513 CA THR D 74 18.301 12.552 0.554 1.00 32.31 C +ATOM 514 C THR D 74 19.558 13.399 0.721 1.00 30.58 C +ATOM 515 O THR D 74 19.626 14.515 0.220 1.00 31.44 O +ATOM 516 CB THR D 74 18.584 11.626 -0.655 1.00 33.10 C +ATOM 517 OG1 THR D 74 19.093 12.412 -1.746 1.00 30.32 O +ATOM 518 CG2 THR D 74 17.320 10.933 -1.112 1.00 34.16 C +ATOM 519 N PHE D 75 20.543 12.869 1.440 1.00 29.49 N +ATOM 520 CA PHE D 75 21.833 13.524 1.562 1.00 26.73 C +ATOM 521 C PHE D 75 22.868 12.408 1.584 1.00 27.96 C +ATOM 522 O PHE D 75 22.598 11.314 2.087 1.00 28.94 O +ATOM 523 CB PHE D 75 21.923 14.486 2.777 1.00 29.23 C +ATOM 524 CG PHE D 75 21.759 13.853 4.134 1.00 24.91 C +ATOM 525 CD1 PHE D 75 22.870 13.520 4.896 1.00 27.94 C +ATOM 526 CD2 PHE D 75 20.499 13.715 4.705 1.00 27.27 C +ATOM 527 CE1 PHE D 75 22.728 13.068 6.218 1.00 26.75 C +ATOM 528 CE2 PHE D 75 20.350 13.263 6.022 1.00 25.49 C +ATOM 529 CZ PHE D 75 21.468 12.944 6.776 1.00 25.98 C +ATOM 530 N VAL D 76 24.025 12.670 0.979 1.00 25.17 N +ATOM 531 CA VAL D 76 25.097 11.682 0.864 1.00 22.65 C +ATOM 532 C VAL D 76 26.377 12.101 1.546 1.00 17.00 C +ATOM 533 O VAL D 76 26.845 13.222 1.381 1.00 18.90 O +ATOM 534 CB VAL D 76 25.449 11.413 -0.628 1.00 23.38 C +ATOM 535 CG1 VAL D 76 26.573 10.402 -0.725 1.00 22.83 C +ATOM 536 CG2 VAL D 76 24.222 10.931 -1.382 1.00 25.44 C +ATOM 537 N VAL D 77 26.946 11.175 2.302 1.00 20.16 N +ATOM 538 CA VAL D 77 28.194 11.399 3.002 1.00 17.97 C +ATOM 539 C VAL D 77 29.231 10.559 2.277 1.00 22.13 C +ATOM 540 O VAL D 77 29.081 9.339 2.198 1.00 27.29 O +ATOM 541 CB VAL D 77 28.087 10.915 4.459 1.00 16.59 C +ATOM 542 CG1 VAL D 77 29.467 10.813 5.095 1.00 18.39 C +ATOM 543 CG2 VAL D 77 27.205 11.872 5.241 1.00 19.77 C +ATOM 544 N ASN D 78 30.256 11.198 1.721 1.00 20.89 N +ATOM 545 CA ASN D 78 31.315 10.464 1.040 1.00 21.17 C +ATOM 546 C ASN D 78 32.530 10.508 1.949 1.00 24.44 C +ATOM 547 O ASN D 78 32.921 11.572 2.433 1.00 22.23 O +ATOM 548 CB ASN D 78 31.666 11.113 -0.289 1.00 21.02 C +ATOM 549 CG ASN D 78 30.482 11.221 -1.207 1.00 25.34 C +ATOM 550 OD1 ASN D 78 30.177 12.295 -1.717 1.00 27.30 O +ATOM 551 ND2 ASN D 78 29.806 10.107 -1.430 1.00 26.87 N +ATOM 552 N ILE D 79 33.119 9.345 2.198 1.00 26.68 N +ATOM 553 CA ILE D 79 34.295 9.266 3.050 1.00 25.36 C +ATOM 554 C ILE D 79 35.398 8.513 2.324 1.00 24.75 C +ATOM 555 O ILE D 79 35.183 7.409 1.831 1.00 24.47 O +ATOM 556 CB ILE D 79 33.985 8.544 4.377 1.00 27.27 C +ATOM 557 CG1 ILE D 79 32.791 9.211 5.058 1.00 29.36 C +ATOM 558 CG2 ILE D 79 35.202 8.600 5.290 1.00 24.80 C +ATOM 559 CD1 ILE D 79 32.389 8.568 6.357 1.00 32.62 C +ATOM 560 N ALA D 80 36.585 9.108 2.284 1.00 25.70 N +ATOM 561 CA ALA D 80 37.722 8.502 1.600 1.00 27.81 C +ATOM 562 C ALA D 80 38.835 8.029 2.526 1.00 30.13 C +ATOM 563 O ALA D 80 38.840 8.342 3.719 1.00 31.04 O +ATOM 564 CB ALA D 80 38.283 9.479 0.594 1.00 30.87 C +ATOM 565 N GLN D 81 39.774 7.272 1.954 1.00 30.81 N +ATOM 566 CA GLN D 81 40.922 6.733 2.680 1.00 32.12 C +ATOM 567 C GLN D 81 40.528 6.064 4.011 1.00 30.03 C +ATOM 568 O GLN D 81 41.019 6.430 5.079 1.00 27.03 O +ATOM 569 CB GLN D 81 41.935 7.864 2.906 1.00 38.37 C +ATOM 570 CG GLN D 81 43.216 7.498 3.668 1.00 46.61 C +ATOM 571 CD GLN D 81 44.255 6.795 2.812 1.00 48.59 C +ATOM 572 OE1 GLN D 81 44.541 7.214 1.684 1.00 50.71 O +ATOM 573 NE2 GLN D 81 44.845 5.731 3.355 1.00 49.75 N +ATOM 574 N LEU D 82 39.644 5.074 3.927 1.00 30.12 N +ATOM 575 CA LEU D 82 39.164 4.342 5.101 1.00 30.26 C +ATOM 576 C LEU D 82 40.233 3.474 5.770 1.00 31.07 C +ATOM 577 O LEU D 82 41.057 2.850 5.109 1.00 29.45 O +ATOM 578 CB LEU D 82 37.975 3.455 4.717 1.00 26.91 C +ATOM 579 CG LEU D 82 36.658 4.131 4.327 1.00 25.98 C +ATOM 580 CD1 LEU D 82 35.810 3.145 3.545 1.00 29.02 C +ATOM 581 CD2 LEU D 82 35.923 4.614 5.565 1.00 26.53 C +ATOM 582 N SER D 83 40.200 3.445 7.096 1.00 34.53 N +ATOM 583 CA SER D 83 41.135 2.657 7.889 1.00 37.43 C +ATOM 584 C SER D 83 40.330 1.988 8.989 1.00 38.39 C +ATOM 585 O SER D 83 39.215 2.413 9.290 1.00 36.58 O +ATOM 586 CB SER D 83 42.198 3.556 8.524 1.00 37.26 C +ATOM 587 OG SER D 83 41.629 4.405 9.508 1.00 38.31 O +ATOM 588 N GLN D 84 40.888 0.946 9.592 1.00 41.22 N +ATOM 589 CA GLN D 84 40.182 0.258 10.661 1.00 42.47 C +ATOM 590 C GLN D 84 39.658 1.251 11.692 1.00 40.33 C +ATOM 591 O GLN D 84 38.620 1.021 12.307 1.00 39.71 O +ATOM 592 CB GLN D 84 41.099 -0.751 11.335 1.00 45.96 C +ATOM 593 CG GLN D 84 41.484 -1.900 10.444 1.00 50.85 C +ATOM 594 CD GLN D 84 42.141 -3.021 11.221 1.00 55.24 C +ATOM 595 OE1 GLN D 84 43.227 -2.855 11.778 1.00 57.01 O +ATOM 596 NE2 GLN D 84 41.477 -4.170 11.271 1.00 57.51 N +ATOM 597 N ASP D 85 40.375 2.357 11.871 1.00 39.83 N +ATOM 598 CA ASP D 85 39.968 3.383 12.822 1.00 41.75 C +ATOM 599 C ASP D 85 38.534 3.829 12.623 1.00 39.82 C +ATOM 600 O ASP D 85 37.806 4.013 13.591 1.00 41.73 O +ATOM 601 CB ASP D 85 40.856 4.617 12.713 1.00 48.91 C +ATOM 602 CG ASP D 85 40.182 5.865 13.284 1.00 55.55 C +ATOM 603 OD1 ASP D 85 39.195 6.352 12.675 1.00 55.53 O +ATOM 604 OD2 ASP D 85 40.634 6.353 14.347 1.00 59.46 O +ATOM 605 N ASP D 86 38.153 4.040 11.366 1.00 36.78 N +ATOM 606 CA ASP D 86 36.803 4.472 11.007 1.00 34.95 C +ATOM 607 C ASP D 86 35.719 3.471 11.409 1.00 31.41 C +ATOM 608 O ASP D 86 34.536 3.809 11.420 1.00 30.85 O +ATOM 609 CB ASP D 86 36.712 4.744 9.498 1.00 35.97 C +ATOM 610 CG ASP D 86 37.673 5.824 9.043 1.00 38.43 C +ATOM 611 OD1 ASP D 86 37.592 6.954 9.566 1.00 40.03 O +ATOM 612 OD2 ASP D 86 38.513 5.543 8.166 1.00 39.96 O +ATOM 613 N SER D 87 36.114 2.240 11.723 1.00 30.27 N +ATOM 614 CA SER D 87 35.148 1.224 12.143 1.00 28.57 C +ATOM 615 C SER D 87 34.431 1.749 13.387 1.00 29.73 C +ATOM 616 O SER D 87 35.075 2.201 14.333 1.00 31.33 O +ATOM 617 CB SER D 87 35.848 -0.101 12.491 1.00 25.17 C +ATOM 618 OG SER D 87 36.281 -0.800 11.337 1.00 23.83 O +ATOM 619 N GLY D 88 33.105 1.698 13.391 1.00 28.63 N +ATOM 620 CA GLY D 88 32.379 2.185 14.544 1.00 30.58 C +ATOM 621 C GLY D 88 30.910 2.426 14.285 1.00 31.71 C +ATOM 622 O GLY D 88 30.373 2.020 13.256 1.00 32.60 O +ATOM 623 N ARG D 89 30.261 3.091 15.233 1.00 32.28 N +ATOM 624 CA ARG D 89 28.846 3.399 15.124 1.00 33.94 C +ATOM 625 C ARG D 89 28.661 4.886 14.861 1.00 35.22 C +ATOM 626 O ARG D 89 29.289 5.728 15.512 1.00 38.03 O +ATOM 627 CB ARG D 89 28.118 3.016 16.414 1.00 35.40 C +ATOM 628 CG ARG D 89 28.432 1.624 16.906 1.00 42.11 C +ATOM 629 CD ARG D 89 27.539 1.207 18.067 1.00 47.10 C +ATOM 630 NE ARG D 89 28.025 -0.032 18.671 1.00 57.98 N +ATOM 631 CZ ARG D 89 27.351 -0.774 19.549 1.00 62.61 C +ATOM 632 NH1 ARG D 89 26.135 -0.415 19.943 1.00 65.61 N +ATOM 633 NH2 ARG D 89 27.906 -1.875 20.049 1.00 62.66 N +ATOM 634 N TYR D 90 27.800 5.204 13.899 1.00 34.43 N +ATOM 635 CA TYR D 90 27.526 6.589 13.548 1.00 31.63 C +ATOM 636 C TYR D 90 26.032 6.815 13.415 1.00 30.44 C +ATOM 637 O TYR D 90 25.230 5.897 13.573 1.00 31.51 O +ATOM 638 CB TYR D 90 28.178 6.965 12.216 1.00 30.52 C +ATOM 639 CG TYR D 90 29.668 6.766 12.137 1.00 29.01 C +ATOM 640 CD1 TYR D 90 30.214 5.487 12.031 1.00 28.29 C +ATOM 641 CD2 TYR D 90 30.537 7.859 12.120 1.00 27.87 C +ATOM 642 CE1 TYR D 90 31.593 5.295 11.901 1.00 26.84 C +ATOM 643 CE2 TYR D 90 31.915 7.679 11.993 1.00 26.93 C +ATOM 644 CZ TYR D 90 32.432 6.392 11.882 1.00 26.06 C +ATOM 645 OH TYR D 90 33.780 6.200 11.741 1.00 27.26 O +ATOM 646 N LYS D 91 25.670 8.054 13.112 1.00 28.24 N +ATOM 647 CA LYS D 91 24.282 8.423 12.921 1.00 27.81 C +ATOM 648 C LYS D 91 24.196 9.538 11.902 1.00 26.45 C +ATOM 649 O LYS D 91 25.060 10.406 11.847 1.00 27.43 O +ATOM 650 CB LYS D 91 23.650 8.902 14.234 1.00 26.09 C +ATOM 651 CG LYS D 91 23.334 7.797 15.206 1.00 29.97 C +ATOM 652 CD LYS D 91 22.889 8.342 16.556 1.00 33.35 C +ATOM 653 CE LYS D 91 22.790 7.213 17.583 1.00 35.08 C +ATOM 654 NZ LYS D 91 22.429 7.663 18.953 1.00 37.46 N +ATOM 655 N CYS D 92 23.167 9.488 11.070 1.00 25.83 N +ATOM 656 CA CYS D 92 22.933 10.542 10.106 1.00 28.88 C +ATOM 657 C CYS D 92 21.576 11.062 10.554 1.00 29.85 C +ATOM 658 O CYS D 92 20.694 10.279 10.920 1.00 32.60 O +ATOM 659 CB CYS D 92 22.875 9.997 8.673 1.00 28.14 C +ATOM 660 SG CYS D 92 21.522 8.826 8.356 1.00 36.14 S +ATOM 661 N GLY D 93 21.408 12.375 10.564 1.00 31.69 N +ATOM 662 CA GLY D 93 20.138 12.922 10.997 1.00 32.00 C +ATOM 663 C GLY D 93 19.890 14.346 10.560 1.00 32.11 C +ATOM 664 O GLY D 93 20.690 14.936 9.824 1.00 28.73 O +ATOM 665 N LEU D 94 18.765 14.888 11.022 1.00 35.43 N +ATOM 666 CA LEU D 94 18.366 16.254 10.710 1.00 39.61 C +ATOM 667 C LEU D 94 18.233 17.086 11.977 1.00 42.32 C +ATOM 668 O LEU D 94 17.966 16.562 13.067 1.00 42.21 O +ATOM 669 CB LEU D 94 17.014 16.286 9.994 1.00 38.66 C +ATOM 670 CG LEU D 94 16.711 15.386 8.797 1.00 38.81 C +ATOM 671 CD1 LEU D 94 15.352 15.767 8.251 1.00 38.51 C +ATOM 672 CD2 LEU D 94 17.758 15.533 7.726 1.00 37.59 C +ATOM 673 N GLY D 95 18.409 18.393 11.800 1.00 43.86 N +ATOM 674 CA GLY D 95 18.285 19.344 12.882 1.00 46.30 C +ATOM 675 C GLY D 95 19.342 19.293 13.953 1.00 47.88 C +ATOM 676 O GLY D 95 20.468 18.863 13.720 1.00 45.33 O +ATOM 677 N ILE D 96 18.959 19.762 15.137 1.00 53.36 N +ATOM 678 CA ILE D 96 19.841 19.782 16.291 1.00 57.14 C +ATOM 679 C ILE D 96 20.428 18.392 16.493 1.00 58.38 C +ATOM 680 O ILE D 96 19.715 17.385 16.450 1.00 59.14 O +ATOM 681 CB ILE D 96 19.082 20.240 17.566 1.00 58.23 C +ATOM 682 CG1 ILE D 96 17.572 20.024 17.396 1.00 57.11 C +ATOM 683 CG2 ILE D 96 19.375 21.706 17.838 1.00 59.23 C +ATOM 684 CD1 ILE D 96 16.745 20.394 18.623 1.00 55.35 C +ATOM 685 N ASN D 97 21.738 18.350 16.695 1.00 58.32 N +ATOM 686 CA ASN D 97 22.459 17.102 16.876 1.00 59.31 C +ATOM 687 C ASN D 97 21.688 16.080 17.718 1.00 61.47 C +ATOM 688 O ASN D 97 21.791 14.873 17.484 1.00 63.20 O +ATOM 689 CB ASN D 97 23.826 17.395 17.505 1.00 58.13 C +ATOM 690 CG ASN D 97 24.873 16.360 17.140 1.00 56.10 C +ATOM 691 OD1 ASN D 97 25.203 16.176 15.968 1.00 53.65 O +ATOM 692 ND2 ASN D 97 25.406 15.682 18.147 1.00 55.57 N +ATOM 693 N SER D 98 20.906 16.556 18.686 1.00 63.16 N +ATOM 694 CA SER D 98 20.139 15.656 19.549 1.00 63.15 C +ATOM 695 C SER D 98 18.618 15.790 19.442 1.00 64.53 C +ATOM 696 O SER D 98 17.896 15.510 20.400 1.00 65.48 O +ATOM 697 CB SER D 98 20.572 15.832 21.008 1.00 60.20 C +ATOM 698 OG SER D 98 20.519 17.190 21.396 1.00 58.68 O +ATOM 699 N ARG D 99 18.135 16.218 18.277 1.00 66.16 N +ATOM 700 CA ARG D 99 16.699 16.352 18.044 1.00 65.16 C +ATOM 701 C ARG D 99 16.134 14.932 17.923 1.00 64.42 C +ATOM 702 O ARG D 99 14.919 14.731 17.851 1.00 62.46 O +ATOM 703 CB ARG D 99 16.439 17.138 16.756 1.00 63.60 C +ATOM 704 N GLY D 100 17.043 13.958 17.896 1.00 62.91 N +ATOM 705 CA GLY D 100 16.659 12.562 17.793 1.00 60.86 C +ATOM 706 C GLY D 100 16.236 12.097 16.410 1.00 59.64 C +ATOM 707 O GLY D 100 16.035 10.900 16.199 1.00 61.71 O +ATOM 708 N LEU D 101 16.095 13.024 15.467 1.00 56.02 N +ATOM 709 CA LEU D 101 15.683 12.673 14.109 1.00 51.98 C +ATOM 710 C LEU D 101 16.836 12.060 13.321 1.00 50.86 C +ATOM 711 O LEU D 101 17.146 12.516 12.220 1.00 50.96 O +ATOM 712 CB LEU D 101 15.190 13.915 13.376 1.00 51.02 C +ATOM 713 CG LEU D 101 14.228 14.812 14.147 1.00 52.50 C +ATOM 714 CD1 LEU D 101 13.937 16.057 13.328 1.00 52.43 C +ATOM 715 CD2 LEU D 101 12.951 14.048 14.464 1.00 53.70 C +ATOM 716 N SER D 102 17.462 11.024 13.876 1.00 49.27 N +ATOM 717 CA SER D 102 18.593 10.370 13.216 1.00 46.47 C +ATOM 718 C SER D 102 18.320 8.932 12.776 1.00 43.97 C +ATOM 719 O SER D 102 17.170 8.503 12.661 1.00 45.35 O +ATOM 720 CB SER D 102 19.811 10.379 14.141 1.00 45.23 C +ATOM 721 OG SER D 102 19.631 9.476 15.217 1.00 48.27 O +ATOM 722 N PHE D 103 19.406 8.204 12.523 1.00 39.74 N +ATOM 723 CA PHE D 103 19.366 6.804 12.106 1.00 36.19 C +ATOM 724 C PHE D 103 20.754 6.243 12.372 1.00 36.07 C +ATOM 725 O PHE D 103 21.755 6.854 11.995 1.00 35.89 O +ATOM 726 CB PHE D 103 19.057 6.673 10.614 1.00 31.43 C +ATOM 727 CG PHE D 103 18.948 5.247 10.141 1.00 32.75 C +ATOM 728 CD1 PHE D 103 17.706 4.622 10.045 1.00 32.99 C +ATOM 729 CD2 PHE D 103 20.088 4.523 9.799 1.00 30.62 C +ATOM 730 CE1 PHE D 103 17.600 3.297 9.612 1.00 30.95 C +ATOM 731 CE2 PHE D 103 19.994 3.199 9.367 1.00 31.28 C +ATOM 732 CZ PHE D 103 18.749 2.586 9.272 1.00 32.04 C +ATOM 733 N ASP D 104 20.821 5.084 13.016 1.00 36.42 N +ATOM 734 CA ASP D 104 22.111 4.480 13.321 1.00 34.56 C +ATOM 735 C ASP D 104 22.703 3.764 12.128 1.00 33.09 C +ATOM 736 O ASP D 104 22.009 3.038 11.413 1.00 31.59 O +ATOM 737 CB ASP D 104 21.998 3.472 14.468 1.00 35.65 C +ATOM 738 CG ASP D 104 21.584 4.112 15.767 1.00 40.56 C +ATOM 739 OD1 ASP D 104 21.927 5.291 15.976 1.00 43.38 O +ATOM 740 OD2 ASP D 104 20.927 3.432 16.587 1.00 44.83 O +ATOM 741 N VAL D 105 23.996 3.984 11.919 1.00 33.16 N +ATOM 742 CA VAL D 105 24.728 3.323 10.850 1.00 33.16 C +ATOM 743 C VAL D 105 25.995 2.719 11.445 1.00 30.75 C +ATOM 744 O VAL D 105 26.766 3.411 12.108 1.00 30.75 O +ATOM 745 CB VAL D 105 25.136 4.302 9.726 1.00 35.38 C +ATOM 746 CG1 VAL D 105 25.799 3.525 8.587 1.00 33.66 C +ATOM 747 CG2 VAL D 105 23.915 5.056 9.215 1.00 34.20 C +ATOM 748 N SER D 106 26.192 1.424 11.219 1.00 28.48 N +ATOM 749 CA SER D 106 27.377 0.732 11.712 1.00 27.80 C +ATOM 750 C SER D 106 28.346 0.580 10.558 1.00 27.86 C +ATOM 751 O SER D 106 28.012 -0.001 9.527 1.00 28.16 O +ATOM 752 CB SER D 106 27.019 -0.643 12.265 1.00 26.25 C +ATOM 753 OG SER D 106 26.415 -0.520 13.536 1.00 30.64 O +ATOM 754 N LEU D 107 29.546 1.114 10.742 1.00 29.45 N +ATOM 755 CA LEU D 107 30.575 1.068 9.721 1.00 31.04 C +ATOM 756 C LEU D 107 31.688 0.102 10.110 1.00 33.67 C +ATOM 757 O LEU D 107 32.290 0.233 11.178 1.00 35.05 O +ATOM 758 CB LEU D 107 31.154 2.469 9.523 1.00 31.27 C +ATOM 759 CG LEU D 107 32.309 2.603 8.539 1.00 30.89 C +ATOM 760 CD1 LEU D 107 31.909 2.089 7.165 1.00 33.09 C +ATOM 761 CD2 LEU D 107 32.702 4.055 8.480 1.00 35.31 C +ATOM 762 N GLU D 108 31.941 -0.869 9.236 1.00 31.83 N +ATOM 763 CA GLU D 108 32.981 -1.873 9.441 1.00 32.24 C +ATOM 764 C GLU D 108 34.013 -1.779 8.313 1.00 31.14 C +ATOM 765 O GLU D 108 33.701 -2.081 7.158 1.00 27.07 O +ATOM 766 CB GLU D 108 32.352 -3.276 9.449 1.00 35.19 C +ATOM 767 CG GLU D 108 33.342 -4.442 9.340 1.00 32.63 C +ATOM 768 CD GLU D 108 34.260 -4.554 10.541 1.00 31.74 C +ATOM 769 OE1 GLU D 108 33.786 -4.338 11.675 1.00 30.92 O +ATOM 770 OE2 GLU D 108 35.451 -4.871 10.351 1.00 32.35 O +ATOM 771 N VAL D 109 35.233 -1.363 8.645 1.00 28.02 N +ATOM 772 CA VAL D 109 36.291 -1.242 7.645 1.00 30.23 C +ATOM 773 C VAL D 109 37.291 -2.385 7.790 1.00 30.66 C +ATOM 774 O VAL D 109 38.129 -2.357 8.695 1.00 33.68 O +ATOM 775 CB VAL D 109 37.038 0.104 7.787 1.00 29.34 C +ATOM 776 CG1 VAL D 109 38.195 0.172 6.788 1.00 28.73 C +ATOM 777 CG2 VAL D 109 36.063 1.258 7.572 1.00 26.50 C +ATOM 778 N LEU D 110 37.206 -3.374 6.896 1.00 28.15 N +ATOM 779 CA LEU D 110 38.090 -4.544 6.934 1.00 32.65 C +ATOM 780 C LEU D 110 39.563 -4.276 6.662 1.00 35.85 C +ATOM 781 O LEU D 110 39.928 -3.395 5.884 1.00 37.13 O +ATOM 782 CB LEU D 110 37.594 -5.641 5.980 1.00 29.98 C +ATOM 783 CG LEU D 110 36.296 -6.346 6.385 1.00 33.05 C +ATOM 784 CD1 LEU D 110 35.984 -7.448 5.390 1.00 34.91 C +ATOM 785 CD2 LEU D 110 36.433 -6.932 7.795 1.00 33.99 C +ATOM 786 N GLU D 111 40.400 -5.072 7.313 1.00 39.96 N +ATOM 787 CA GLU D 111 41.841 -4.958 7.210 1.00 47.63 C +ATOM 788 C GLU D 111 42.387 -5.427 5.866 1.00 53.68 C +ATOM 789 O GLU D 111 41.826 -6.322 5.231 1.00 53.53 O +ATOM 790 CB GLU D 111 42.484 -5.780 8.323 1.00 49.54 C +ATOM 791 CG GLU D 111 43.787 -5.222 8.851 1.00 49.14 C +ATOM 792 CD GLU D 111 44.573 -6.264 9.609 1.00 48.79 C +ATOM 793 OE1 GLU D 111 45.319 -7.027 8.957 1.00 47.27 O +ATOM 794 OE2 GLU D 111 44.427 -6.330 10.848 1.00 45.73 O +ATOM 795 N HIS D 112 43.497 -4.816 5.455 1.00 59.56 N +ATOM 796 CA HIS D 112 44.181 -5.136 4.203 1.00 67.44 C +ATOM 797 C HIS D 112 44.573 -6.620 4.154 1.00 70.78 C +ATOM 798 O HIS D 112 45.758 -6.939 4.421 1.00 72.74 O +ATOM 799 CB HIS D 112 45.428 -4.251 4.069 1.00 70.46 C +ATOM 800 CG HIS D 112 46.221 -4.482 2.817 1.00 74.11 C +ATOM 801 ND1 HIS D 112 46.736 -5.715 2.474 1.00 74.74 N +ATOM 802 CD2 HIS D 112 46.628 -3.624 1.851 1.00 74.88 C +ATOM 803 CE1 HIS D 112 47.427 -5.607 1.353 1.00 75.25 C +ATOM 804 NE2 HIS D 112 47.378 -4.348 0.955 1.00 76.01 N Added: SwiftApps/modFTdock/input/1zt3-1.pdb =================================================================== --- SwiftApps/modFTdock/input/1zt3-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/1zt3-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,642 @@ +ATOM 1 N TRP A 172 -39.136 -21.997 24.415 1.00 34.43 N +ATOM 2 CA TRP A 172 -40.108 -20.907 24.729 1.00 34.28 C +ATOM 3 C TRP A 172 -41.403 -21.065 23.944 1.00 33.46 C +ATOM 4 O TRP A 172 -41.385 -21.496 22.789 1.00 33.48 O +ATOM 5 CB TRP A 172 -39.506 -19.534 24.418 1.00 35.12 C +ATOM 6 CG TRP A 172 -38.161 -19.292 25.025 1.00 36.34 C +ATOM 7 CD1 TRP A 172 -37.773 -19.568 26.306 1.00 37.69 C +ATOM 8 CD2 TRP A 172 -37.032 -18.693 24.384 1.00 37.47 C +ATOM 9 NE1 TRP A 172 -36.465 -19.190 26.497 1.00 37.97 N +ATOM 10 CE2 TRP A 172 -35.985 -18.650 25.334 1.00 37.83 C +ATOM 11 CE3 TRP A 172 -36.799 -18.192 23.097 1.00 37.57 C +ATOM 12 CZ2 TRP A 172 -34.725 -18.128 25.037 1.00 37.51 C +ATOM 13 CZ3 TRP A 172 -35.545 -17.671 22.802 1.00 37.85 C +ATOM 14 CH2 TRP A 172 -34.523 -17.646 23.769 1.00 37.43 C +ATOM 15 N LYS A 173 -42.516 -20.697 24.576 1.00 32.18 N +ATOM 16 CA LYS A 173 -43.842 -20.728 23.949 1.00 31.37 C +ATOM 17 C LYS A 173 -44.028 -19.604 22.914 1.00 29.85 C +ATOM 18 O LYS A 173 -44.831 -19.725 21.976 1.00 30.15 O +ATOM 19 CB LYS A 173 -44.935 -20.645 25.024 1.00 31.31 C +ATOM 20 CG LYS A 173 -46.343 -20.964 24.519 1.00 32.53 C +ATOM 21 CD LYS A 173 -47.425 -20.459 25.479 1.00 32.89 C +ATOM 22 CE LYS A 173 -48.818 -20.684 24.901 1.00 33.96 C +ATOM 23 NZ LYS A 173 -49.893 -20.189 25.806 1.00 34.66 N +ATOM 24 N GLU A 174 -43.280 -18.518 23.090 1.00 27.67 N +ATOM 25 CA GLU A 174 -43.337 -17.366 22.191 1.00 25.77 C +ATOM 26 C GLU A 174 -41.922 -17.014 21.728 1.00 23.54 C +ATOM 27 O GLU A 174 -41.381 -15.977 22.138 1.00 23.23 O +ATOM 28 CB GLU A 174 -43.933 -16.148 22.913 1.00 25.76 C +ATOM 29 CG GLU A 174 -45.376 -16.258 23.359 1.00 26.89 C +ATOM 30 CD GLU A 174 -45.777 -15.061 24.206 1.00 27.42 C +ATOM 31 OE1 GLU A 174 -46.102 -14.001 23.639 1.00 29.42 O +ATOM 32 OE2 GLU A 174 -45.756 -15.182 25.445 1.00 30.63 O +ATOM 33 N PRO A 175 -41.313 -17.867 20.872 1.00 21.55 N +ATOM 34 CA PRO A 175 -39.891 -17.705 20.564 1.00 20.10 C +ATOM 35 C PRO A 175 -39.565 -16.385 19.866 1.00 18.58 C +ATOM 36 O PRO A 175 -38.520 -15.781 20.142 1.00 18.18 O +ATOM 37 CB PRO A 175 -39.594 -18.893 19.632 1.00 20.52 C +ATOM 38 CG PRO A 175 -40.909 -19.247 19.043 1.00 19.77 C +ATOM 39 CD PRO A 175 -41.896 -19.015 20.148 1.00 21.28 C +ATOM 40 N CYS A 176 -40.455 -15.942 18.986 1.00 16.73 N +ATOM 41 CA CYS A 176 -40.212 -14.710 18.226 1.00 16.80 C +ATOM 42 C CYS A 176 -40.222 -13.501 19.159 1.00 16.78 C +ATOM 43 O CYS A 176 -39.363 -12.626 19.053 1.00 16.20 O +ATOM 44 CB CYS A 176 -41.244 -14.528 17.116 1.00 16.50 C +ATOM 45 SG CYS A 176 -40.885 -13.084 16.044 1.00 15.20 S +ATOM 46 N ARG A 177 -41.200 -13.469 20.062 1.00 17.53 N +ATOM 47 CA ARG A 177 -41.351 -12.338 20.984 1.00 18.15 C +ATOM 48 C ARG A 177 -40.135 -12.196 21.880 1.00 18.13 C +ATOM 49 O ARG A 177 -39.608 -11.088 22.053 1.00 17.51 O +ATOM 50 CB ARG A 177 -42.634 -12.450 21.807 1.00 18.62 C +ATOM 51 CG ARG A 177 -42.872 -11.237 22.713 1.00 20.72 C +ATOM 52 CD ARG A 177 -44.227 -11.292 23.368 1.00 22.66 C +ATOM 53 NE ARG A 177 -44.366 -10.263 24.391 1.00 24.94 N +ATOM 54 CZ ARG A 177 -43.848 -10.348 25.616 1.00 25.91 C +ATOM 55 NH1 ARG A 177 -43.147 -11.413 25.983 1.00 25.04 N +ATOM 56 NH2 ARG A 177 -44.030 -9.360 26.477 1.00 26.28 N +ATOM 57 N ILE A 178 -39.676 -13.324 22.435 1.00 18.26 N +ATOM 58 CA ILE A 178 -38.446 -13.332 23.221 1.00 18.88 C +ATOM 59 C ILE A 178 -37.252 -12.846 22.394 1.00 18.95 C +ATOM 60 O ILE A 178 -36.503 -11.962 22.843 1.00 19.62 O +ATOM 61 CB ILE A 178 -38.154 -14.721 23.862 1.00 18.59 C +ATOM 62 CG1 ILE A 178 -39.319 -15.180 24.759 1.00 18.73 C +ATOM 63 CG2 ILE A 178 -36.838 -14.687 24.621 1.00 19.59 C +ATOM 64 CD1 ILE A 178 -39.754 -14.186 25.865 1.00 20.15 C +ATOM 65 N GLU A 179 -37.088 -13.386 21.187 1.00 19.21 N +ATOM 66 CA GLU A 179 -35.993 -12.950 20.327 1.00 19.54 C +ATOM 67 C GLU A 179 -36.080 -11.449 20.043 1.00 19.29 C +ATOM 68 O GLU A 179 -35.075 -10.745 20.146 1.00 19.32 O +ATOM 69 CB GLU A 179 -35.948 -13.726 19.020 1.00 19.69 C +ATOM 70 CG GLU A 179 -34.670 -13.469 18.245 1.00 21.79 C +ATOM 71 CD GLU A 179 -34.657 -14.096 16.879 1.00 24.88 C +ATOM 72 OE1 GLU A 179 -33.547 -14.390 16.389 1.00 26.52 O +ATOM 73 OE2 GLU A 179 -35.742 -14.303 16.292 1.00 27.10 O +ATOM 74 N LEU A 180 -37.277 -10.979 19.702 1.00 19.29 N +ATOM 75 CA LEU A 180 -37.497 -9.560 19.389 1.00 19.26 C +ATOM 76 C LEU A 180 -36.979 -8.650 20.508 1.00 19.08 C +ATOM 77 O LEU A 180 -36.226 -7.704 20.241 1.00 18.14 O +ATOM 78 CB LEU A 180 -38.974 -9.273 19.106 1.00 19.11 C +ATOM 79 CG LEU A 180 -39.319 -7.798 18.847 1.00 19.07 C +ATOM 80 CD1 LEU A 180 -38.510 -7.233 17.675 1.00 21.29 C +ATOM 81 CD2 LEU A 180 -40.830 -7.649 18.614 1.00 19.74 C +ATOM 82 N TYR A 181 -37.358 -8.954 21.751 1.00 19.10 N +ATOM 83 CA TYR A 181 -36.842 -8.229 22.914 1.00 19.73 C +ATOM 84 C TYR A 181 -35.318 -8.230 22.972 1.00 19.86 C +ATOM 85 O TYR A 181 -34.698 -7.175 23.148 1.00 19.98 O +ATOM 86 CB TYR A 181 -37.467 -8.751 24.227 1.00 20.16 C +ATOM 87 CG TYR A 181 -38.814 -8.123 24.527 1.00 20.84 C +ATOM 88 CD1 TYR A 181 -38.915 -7.004 25.358 1.00 21.48 C +ATOM 89 CD2 TYR A 181 -39.990 -8.645 23.977 1.00 20.81 C +ATOM 90 CE1 TYR A 181 -40.147 -6.422 25.633 1.00 22.34 C +ATOM 91 CE2 TYR A 181 -41.230 -8.068 24.244 1.00 21.91 C +ATOM 92 CZ TYR A 181 -41.300 -6.959 25.082 1.00 22.24 C +ATOM 93 OH TYR A 181 -42.516 -6.373 25.347 1.00 22.89 O +ATOM 94 N ARG A 182 -34.717 -9.406 22.797 1.00 19.68 N +ATOM 95 CA ARG A 182 -33.268 -9.544 22.849 1.00 20.05 C +ATOM 96 C ARG A 182 -32.593 -8.739 21.743 1.00 19.42 C +ATOM 97 O ARG A 182 -31.576 -8.072 21.990 1.00 19.22 O +ATOM 98 CB ARG A 182 -32.874 -11.019 22.769 1.00 20.66 C +ATOM 99 CG ARG A 182 -33.592 -11.864 23.806 1.00 23.33 C +ATOM 100 CD ARG A 182 -32.691 -12.324 24.917 1.00 31.08 C +ATOM 101 NE ARG A 182 -32.238 -13.693 24.676 1.00 34.53 N +ATOM 102 CZ ARG A 182 -32.720 -14.777 25.285 1.00 36.34 C +ATOM 103 NH1 ARG A 182 -33.684 -14.685 26.205 1.00 37.09 N +ATOM 104 NH2 ARG A 182 -32.223 -15.966 24.975 1.00 37.59 N +ATOM 105 N VAL A 183 -33.164 -8.795 20.537 1.00 18.69 N +ATOM 106 CA VAL A 183 -32.586 -8.101 19.374 1.00 18.83 C +ATOM 107 C VAL A 183 -32.670 -6.583 19.560 1.00 18.48 C +ATOM 108 O VAL A 183 -31.693 -5.875 19.310 1.00 18.13 O +ATOM 109 CB VAL A 183 -33.244 -8.550 18.037 1.00 18.63 C +ATOM 110 CG1 VAL A 183 -32.873 -7.606 16.895 1.00 19.70 C +ATOM 111 CG2 VAL A 183 -32.804 -9.975 17.689 1.00 18.64 C +ATOM 112 N VAL A 184 -33.822 -6.106 20.034 1.00 18.63 N +ATOM 113 CA VAL A 184 -34.017 -4.667 20.304 1.00 19.03 C +ATOM 114 C VAL A 184 -32.987 -4.148 21.330 1.00 19.24 C +ATOM 115 O VAL A 184 -32.377 -3.081 21.136 1.00 18.61 O +ATOM 116 CB VAL A 184 -35.483 -4.352 20.725 1.00 19.12 C +ATOM 117 CG1 VAL A 184 -35.606 -2.937 21.314 1.00 20.37 C +ATOM 118 CG2 VAL A 184 -36.407 -4.486 19.532 1.00 18.87 C +ATOM 119 N GLU A 185 -32.767 -4.919 22.395 1.00 19.25 N +ATOM 120 CA GLU A 185 -31.793 -4.545 23.423 1.00 20.57 C +ATOM 121 C GLU A 185 -30.359 -4.498 22.870 1.00 20.10 C +ATOM 122 O GLU A 185 -29.614 -3.546 23.140 1.00 19.76 O +ATOM 123 CB GLU A 185 -31.888 -5.488 24.630 1.00 20.14 C +ATOM 124 CG GLU A 185 -30.953 -5.110 25.786 1.00 22.36 C +ATOM 125 CD GLU A 185 -31.034 -6.061 26.975 1.00 22.80 C +ATOM 126 OE1 GLU A 185 -31.853 -7.002 26.951 1.00 27.18 O +ATOM 127 OE2 GLU A 185 -30.273 -5.858 27.948 1.00 27.24 O +ATOM 128 N SER A 186 -29.973 -5.517 22.106 1.00 19.89 N +ATOM 129 CA SER A 186 -28.627 -5.563 21.508 1.00 20.02 C +ATOM 130 C SER A 186 -28.397 -4.432 20.505 1.00 19.66 C +ATOM 131 O SER A 186 -27.329 -3.816 20.487 1.00 18.81 O +ATOM 132 CB SER A 186 -28.373 -6.909 20.830 1.00 20.39 C +ATOM 133 OG SER A 186 -28.358 -7.942 21.792 1.00 23.17 O +ATOM 134 N LEU A 187 -29.406 -4.171 19.676 1.00 19.21 N +ATOM 135 CA LEU A 187 -29.344 -3.070 18.706 1.00 19.74 C +ATOM 136 C LEU A 187 -29.183 -1.718 19.393 1.00 19.37 C +ATOM 137 O LEU A 187 -28.362 -0.905 18.973 1.00 19.34 O +ATOM 138 CB LEU A 187 -30.593 -3.047 17.833 1.00 19.81 C +ATOM 139 CG LEU A 187 -30.623 -3.969 16.619 1.00 21.86 C +ATOM 140 CD1 LEU A 187 -32.032 -3.991 16.073 1.00 24.65 C +ATOM 141 CD2 LEU A 187 -29.626 -3.520 15.538 1.00 24.78 C +ATOM 142 N ALA A 188 -29.985 -1.490 20.431 1.00 19.16 N +ATOM 143 CA ALA A 188 -29.906 -0.273 21.249 1.00 19.62 C +ATOM 144 C ALA A 188 -28.484 -0.122 21.790 1.00 19.76 C +ATOM 145 O ALA A 188 -27.877 0.958 21.708 1.00 19.78 O +ATOM 146 CB ALA A 188 -30.914 -0.334 22.398 1.00 19.86 C +ATOM 147 N LYS A 189 -27.943 -1.219 22.313 1.00 19.72 N +ATOM 148 CA LYS A 189 -26.592 -1.220 22.859 1.00 19.83 C +ATOM 149 C LYS A 189 -25.535 -0.931 21.783 1.00 19.51 C +ATOM 150 O LYS A 189 -24.637 -0.121 22.008 1.00 19.20 O +ATOM 151 CB LYS A 189 -26.300 -2.544 23.584 1.00 19.67 C +ATOM 152 CG LYS A 189 -24.980 -2.573 24.353 1.00 21.18 C +ATOM 153 CD LYS A 189 -24.991 -1.568 25.500 1.00 23.97 C +ATOM 154 CE LYS A 189 -23.703 -1.601 26.298 1.00 25.23 C +ATOM 155 NZ LYS A 189 -23.673 -0.401 27.204 1.00 25.98 N +ATOM 156 N ALA A 190 -25.651 -1.581 20.618 1.00 19.73 N +ATOM 157 CA ALA A 190 -24.689 -1.402 19.528 1.00 20.13 C +ATOM 158 C ALA A 190 -24.697 0.033 19.011 1.00 20.31 C +ATOM 159 O ALA A 190 -23.654 0.575 18.652 1.00 20.46 O +ATOM 160 CB ALA A 190 -24.972 -2.370 18.386 1.00 20.01 C +ATOM 161 N GLN A 191 -25.879 0.633 18.973 1.00 20.86 N +ATOM 162 CA GLN A 191 -26.024 2.004 18.459 1.00 22.02 C +ATOM 163 C GLN A 191 -25.233 3.028 19.288 1.00 21.64 C +ATOM 164 O GLN A 191 -24.787 4.046 18.754 1.00 21.77 O +ATOM 165 CB GLN A 191 -27.500 2.393 18.374 1.00 22.25 C +ATOM 166 CG GLN A 191 -28.199 1.933 17.086 1.00 25.97 C +ATOM 167 CD GLN A 191 -27.735 2.695 15.851 1.00 30.74 C +ATOM 168 OE1 GLN A 191 -28.111 3.853 15.635 1.00 33.63 O +ATOM 169 NE2 GLN A 191 -26.910 2.047 15.035 1.00 32.02 N +ATOM 170 N GLU A 192 -25.051 2.742 20.577 1.00 21.46 N +ATOM 171 CA GLU A 192 -24.277 3.615 21.482 1.00 21.62 C +ATOM 172 C GLU A 192 -22.849 3.877 20.973 1.00 21.84 C +ATOM 173 O GLU A 192 -22.341 5.002 21.037 1.00 20.87 O +ATOM 174 CB GLU A 192 -24.256 3.024 22.902 1.00 21.24 C +ATOM 175 CG GLU A 192 -25.645 2.977 23.531 1.00 21.99 C +ATOM 176 CD GLU A 192 -25.689 2.475 24.965 1.00 22.37 C +ATOM 177 OE1 GLU A 192 -24.668 1.990 25.496 1.00 22.90 O +ATOM 178 OE2 GLU A 192 -26.783 2.565 25.568 1.00 25.93 O +ATOM 179 N THR A 193 -22.217 2.832 20.450 1.00 22.20 N +ATOM 180 CA THR A 193 -20.820 2.910 20.040 1.00 23.10 C +ATOM 181 C THR A 193 -20.673 2.774 18.526 1.00 24.43 C +ATOM 182 O THR A 193 -19.560 2.654 18.023 1.00 23.91 O +ATOM 183 CB THR A 193 -20.006 1.791 20.694 1.00 23.11 C +ATOM 184 OG1 THR A 193 -20.622 0.538 20.378 1.00 22.12 O +ATOM 185 CG2 THR A 193 -19.949 1.957 22.207 1.00 22.37 C +ATOM 186 N SER A 194 -21.792 2.789 17.806 1.00 26.17 N +ATOM 187 CA SER A 194 -21.785 2.502 16.374 1.00 28.66 C +ATOM 188 C SER A 194 -20.976 3.535 15.607 1.00 30.43 C +ATOM 189 O SER A 194 -21.196 4.739 15.764 1.00 30.63 O +ATOM 190 CB SER A 194 -23.206 2.411 15.808 1.00 28.78 C +ATOM 191 OG SER A 194 -23.179 2.059 14.427 1.00 29.52 O +ATOM 192 N GLY A 195 -20.043 3.045 14.791 1.00 32.35 N +ATOM 193 CA GLY A 195 -19.179 3.890 13.965 1.00 34.45 C +ATOM 194 C GLY A 195 -19.806 4.280 12.636 1.00 36.12 C +ATOM 195 O GLY A 195 -19.172 4.964 11.819 1.00 36.57 O +ATOM 196 N GLU A 196 -21.044 3.837 12.413 1.00 37.26 N +ATOM 197 CA GLU A 196 -21.822 4.225 11.232 1.00 38.38 C +ATOM 198 C GLU A 196 -23.273 4.535 11.614 1.00 38.59 C +ATOM 199 O GLU A 196 -23.676 4.309 12.751 1.00 38.87 O +ATOM 200 CB GLU A 196 -21.760 3.138 10.144 1.00 38.61 C +ATOM 201 CG GLU A 196 -22.511 1.843 10.474 1.00 40.20 C +ATOM 202 CD GLU A 196 -21.760 0.951 11.457 1.00 42.45 C +ATOM 203 OE1 GLU A 196 -22.418 0.352 12.338 0.50 42.52 O +ATOM 204 OE2 GLU A 196 -20.513 0.856 11.354 1.00 43.56 O +ATOM 205 N GLU A 197 -24.042 5.069 10.667 1.00 38.83 N +ATOM 206 CA GLU A 197 -25.464 5.336 10.878 1.00 38.88 C +ATOM 207 C GLU A 197 -26.270 4.317 10.074 1.00 38.33 C +ATOM 208 O GLU A 197 -26.494 4.507 8.877 1.00 38.98 O +ATOM 209 CB GLU A 197 -25.821 6.766 10.445 1.00 39.07 C +ATOM 210 CG GLU A 197 -27.249 7.230 10.822 1.00 40.48 C +ATOM 211 CD GLU A 197 -27.277 8.390 11.820 1.00 42.86 C +ATOM 212 OE1 GLU A 197 -26.348 9.232 11.792 1.00 43.40 O +ATOM 213 OE2 GLU A 197 -28.241 8.474 12.621 1.00 43.51 O +ATOM 214 N ILE A 198 -26.691 3.231 10.722 1.00 37.57 N +ATOM 215 CA ILE A 198 -27.447 2.184 10.020 1.00 36.57 C +ATOM 216 C ILE A 198 -28.889 2.619 9.745 1.00 35.29 C +ATOM 217 O ILE A 198 -29.574 3.164 10.616 1.00 36.01 O +ATOM 218 CB ILE A 198 -27.389 0.782 10.718 1.00 36.84 C +ATOM 219 CG1 ILE A 198 -28.057 0.812 12.097 1.00 37.53 C +ATOM 220 CG2 ILE A 198 -25.941 0.265 10.792 1.00 36.74 C +ATOM 221 CD1 ILE A 198 -28.621 -0.537 12.539 1.00 38.43 C +ATOM 222 N SER A 199 -29.326 2.382 8.516 1.00 33.45 N +ATOM 223 CA SER A 199 -30.640 2.811 8.054 1.00 31.29 C +ATOM 224 C SER A 199 -31.578 1.620 7.892 1.00 29.24 C +ATOM 225 O SER A 199 -32.790 1.798 7.759 1.00 28.70 O +ATOM 226 CB SER A 199 -30.505 3.555 6.726 1.00 31.53 C +ATOM 227 OG SER A 199 -29.665 2.841 5.830 1.00 33.46 O +ATOM 228 N LYS A 200 -30.993 0.420 7.874 1.00 26.73 N +ATOM 229 CA LYS A 200 -31.745 -0.835 7.833 1.00 24.20 C +ATOM 230 C LYS A 200 -31.208 -1.820 8.880 1.00 23.56 C +ATOM 231 O LYS A 200 -30.014 -1.861 9.160 1.00 23.03 O +ATOM 232 CB LYS A 200 -31.682 -1.479 6.440 1.00 24.17 C +ATOM 233 CG LYS A 200 -32.216 -0.609 5.294 1.00 23.41 C +ATOM 234 CD LYS A 200 -32.263 -1.375 3.981 1.00 22.93 C +ATOM 235 CE LYS A 200 -32.479 -0.443 2.786 1.00 21.93 C +ATOM 236 NZ LYS A 200 -31.331 0.512 2.647 1.00 19.78 N +ATOM 237 N PHE A 201 -32.102 -2.617 9.451 1.00 22.85 N +ATOM 238 CA PHE A 201 -31.709 -3.640 10.421 1.00 22.70 C +ATOM 239 C PHE A 201 -32.776 -4.707 10.497 1.00 22.14 C +ATOM 240 O PHE A 201 -33.918 -4.481 10.100 1.00 21.35 O +ATOM 241 CB PHE A 201 -31.465 -3.033 11.816 1.00 23.03 C +ATOM 242 CG PHE A 201 -32.527 -2.059 12.254 1.00 24.17 C +ATOM 243 CD1 PHE A 201 -32.345 -0.689 12.083 1.00 25.93 C +ATOM 244 CD2 PHE A 201 -33.708 -2.505 12.838 1.00 24.45 C +ATOM 245 CE1 PHE A 201 -33.325 0.217 12.483 1.00 26.21 C +ATOM 246 CE2 PHE A 201 -34.694 -1.603 13.243 1.00 24.70 C +ATOM 247 CZ PHE A 201 -34.501 -0.237 13.057 1.00 25.38 C +ATOM 248 N TYR A 202 -32.410 -5.870 11.024 1.00 22.49 N +ATOM 249 CA TYR A 202 -33.382 -6.937 11.146 1.00 22.70 C +ATOM 250 C TYR A 202 -33.967 -7.006 12.549 1.00 22.40 C +ATOM 251 O TYR A 202 -33.256 -7.283 13.524 1.00 22.87 O +ATOM 252 CB TYR A 202 -32.802 -8.292 10.713 1.00 23.34 C +ATOM 253 CG TYR A 202 -33.761 -9.446 10.948 1.00 23.98 C +ATOM 254 CD1 TYR A 202 -33.433 -10.488 11.816 1.00 24.52 C +ATOM 255 CD2 TYR A 202 -35.011 -9.476 10.324 1.00 23.91 C +ATOM 256 CE1 TYR A 202 -34.317 -11.546 12.043 1.00 24.21 C +ATOM 257 CE2 TYR A 202 -35.907 -10.524 10.551 1.00 23.70 C +ATOM 258 CZ TYR A 202 -35.546 -11.561 11.403 1.00 24.61 C +ATOM 259 OH TYR A 202 -36.433 -12.599 11.626 1.00 24.07 O +ATOM 260 N LEU A 203 -35.259 -6.706 12.635 1.00 21.56 N +ATOM 261 CA LEU A 203 -36.079 -6.988 13.807 1.00 21.32 C +ATOM 262 C LEU A 203 -36.996 -8.155 13.453 1.00 20.36 C +ATOM 263 O LEU A 203 -37.763 -8.042 12.499 1.00 19.87 O +ATOM 264 CB LEU A 203 -36.957 -5.782 14.148 1.00 21.26 C +ATOM 265 CG LEU A 203 -36.545 -4.765 15.215 1.00 23.82 C +ATOM 266 CD1 LEU A 203 -35.059 -4.627 15.328 1.00 23.04 C +ATOM 267 CD2 LEU A 203 -37.210 -3.428 14.951 1.00 22.01 C +ATOM 268 N PRO A 204 -36.946 -9.257 14.232 1.00 19.91 N +ATOM 269 CA PRO A 204 -37.883 -10.360 14.000 1.00 19.27 C +ATOM 270 C PRO A 204 -39.312 -9.861 13.831 1.00 18.61 C +ATOM 271 O PRO A 204 -39.777 -9.035 14.618 1.00 18.10 O +ATOM 272 CB PRO A 204 -37.765 -11.194 15.284 1.00 19.29 C +ATOM 273 CG PRO A 204 -36.357 -10.992 15.708 1.00 19.73 C +ATOM 274 CD PRO A 204 -36.032 -9.548 15.352 1.00 19.59 C +ATOM 275 N ASN A 205 -39.969 -10.324 12.769 1.00 17.90 N +ATOM 276 CA ASN A 205 -41.355 -9.968 12.495 1.00 18.10 C +ATOM 277 C ASN A 205 -42.247 -11.006 13.181 1.00 18.05 C +ATOM 278 O ASN A 205 -42.411 -12.113 12.655 1.00 17.42 O +ATOM 279 CB ASN A 205 -41.669 -9.983 10.987 1.00 18.39 C +ATOM 280 CG ASN A 205 -40.668 -9.188 10.107 1.00 18.94 C +ATOM 281 OD1 ASN A 205 -40.832 -9.161 8.884 1.00 22.20 O +ATOM 282 ND2 ASN A 205 -39.657 -8.569 10.698 1.00 19.63 N +ATOM 283 N CYS A 206 -42.818 -10.663 14.336 1.00 17.84 N +ATOM 284 CA CYS A 206 -43.625 -11.622 15.106 1.00 17.83 C +ATOM 285 C CYS A 206 -45.118 -11.479 14.845 1.00 18.36 C +ATOM 286 O CYS A 206 -45.623 -10.361 14.652 1.00 18.35 O +ATOM 287 CB CYS A 206 -43.376 -11.456 16.612 1.00 17.73 C +ATOM 288 SG CYS A 206 -41.654 -11.522 17.121 1.00 17.34 S +ATOM 289 N ASN A 207 -45.824 -12.610 14.844 1.00 18.54 N +ATOM 290 CA ASN A 207 -47.282 -12.593 14.923 1.00 18.73 C +ATOM 291 C ASN A 207 -47.713 -12.386 16.381 1.00 19.14 C +ATOM 292 O ASN A 207 -46.874 -12.401 17.293 1.00 19.85 O +ATOM 293 CB ASN A 207 -47.916 -13.848 14.274 1.00 18.43 C +ATOM 294 CG ASN A 207 -47.609 -15.147 15.029 1.00 18.66 C +ATOM 295 OD1 ASN A 207 -47.546 -15.180 16.254 1.00 18.06 O +ATOM 296 ND2 ASN A 207 -47.442 -16.236 14.278 1.00 19.03 N +ATOM 297 N LYS A 208 -49.012 -12.189 16.590 1.00 19.70 N +ATOM 298 CA LYS A 208 -49.580 -11.893 17.916 1.00 20.21 C +ATOM 299 C LYS A 208 -49.491 -13.063 18.913 1.00 20.08 C +ATOM 300 O LYS A 208 -49.635 -12.860 20.118 1.00 20.32 O +ATOM 301 CB LYS A 208 -51.043 -11.459 17.773 1.00 20.47 C +ATOM 302 CG LYS A 208 -51.935 -12.512 17.115 1.00 20.38 C +ATOM 303 CD LYS A 208 -53.396 -12.222 17.359 1.00 22.10 C +ATOM 304 CE LYS A 208 -54.291 -13.221 16.642 1.00 20.94 C +ATOM 305 NZ LYS A 208 -54.187 -14.607 17.174 1.00 20.34 N +ATOM 306 N ASN A 209 -49.280 -14.275 18.399 1.00 19.57 N +ATOM 307 CA ASN A 209 -49.083 -15.465 19.242 1.00 19.88 C +ATOM 308 C ASN A 209 -47.633 -15.638 19.679 1.00 19.32 C +ATOM 309 O ASN A 209 -47.304 -16.579 20.421 1.00 19.64 O +ATOM 310 CB ASN A 209 -49.550 -16.730 18.508 1.00 19.75 C +ATOM 311 CG ASN A 209 -50.776 -16.486 17.661 1.00 21.13 C +ATOM 312 OD1 ASN A 209 -50.811 -16.838 16.468 1.00 23.95 O +ATOM 313 ND2 ASN A 209 -51.778 -15.856 18.251 1.00 17.82 N +ATOM 314 N GLY A 210 -46.771 -14.739 19.205 1.00 19.30 N +ATOM 315 CA GLY A 210 -45.353 -14.753 19.536 1.00 18.56 C +ATOM 316 C GLY A 210 -44.513 -15.719 18.713 1.00 18.50 C +ATOM 317 O GLY A 210 -43.364 -15.993 19.062 1.00 17.75 O +ATOM 318 N PHE A 211 -45.091 -16.250 17.638 1.00 18.35 N +ATOM 319 CA PHE A 211 -44.325 -16.984 16.632 1.00 18.84 C +ATOM 320 C PHE A 211 -43.945 -16.063 15.478 1.00 18.62 C +ATOM 321 O PHE A 211 -44.212 -14.856 15.535 1.00 19.06 O +ATOM 322 CB PHE A 211 -45.076 -18.238 16.160 1.00 19.06 C +ATOM 323 CG PHE A 211 -44.992 -19.373 17.138 1.00 19.94 C +ATOM 324 CD1 PHE A 211 -43.859 -20.175 17.187 1.00 20.48 C +ATOM 325 CD2 PHE A 211 -46.021 -19.604 18.044 1.00 22.97 C +ATOM 326 CE1 PHE A 211 -43.759 -21.224 18.112 1.00 20.71 C +ATOM 327 CE2 PHE A 211 -45.933 -20.643 18.976 1.00 21.29 C +ATOM 328 CZ PHE A 211 -44.800 -21.450 19.005 1.00 20.87 C +ATOM 329 N TYR A 212 -43.285 -16.622 14.463 1.00 18.56 N +ATOM 330 CA TYR A 212 -42.776 -15.843 13.332 1.00 18.09 C +ATOM 331 C TYR A 212 -43.769 -15.774 12.184 1.00 18.14 C +ATOM 332 O TYR A 212 -44.280 -16.800 11.744 1.00 18.14 O +ATOM 333 CB TYR A 212 -41.449 -16.441 12.834 1.00 18.04 C +ATOM 334 CG TYR A 212 -40.365 -16.422 13.885 1.00 17.57 C +ATOM 335 CD1 TYR A 212 -40.225 -17.467 14.801 1.00 17.30 C +ATOM 336 CD2 TYR A 212 -39.485 -15.344 13.975 1.00 17.57 C +ATOM 337 CE1 TYR A 212 -39.221 -17.434 15.777 1.00 18.28 C +ATOM 338 CE2 TYR A 212 -38.501 -15.298 14.936 1.00 14.95 C +ATOM 339 CZ TYR A 212 -38.363 -16.344 15.829 1.00 16.70 C +ATOM 340 OH TYR A 212 -37.375 -16.282 16.786 1.00 18.15 O +ATOM 341 N HIS A 213 -44.028 -14.572 11.673 1.00 17.97 N +ATOM 342 CA HIS A 213 -44.678 -14.469 10.366 1.00 18.14 C +ATOM 343 C HIS A 213 -43.859 -15.264 9.348 1.00 17.86 C +ATOM 344 O HIS A 213 -42.635 -15.316 9.449 1.00 17.33 O +ATOM 345 CB HIS A 213 -44.804 -13.005 9.931 1.00 18.71 C +ATOM 346 CG HIS A 213 -45.862 -12.251 10.673 1.00 19.72 C +ATOM 347 ND1 HIS A 213 -47.197 -12.594 10.619 1.00 20.89 N +ATOM 348 CD2 HIS A 213 -45.784 -11.167 11.480 1.00 20.60 C +ATOM 349 CE1 HIS A 213 -47.894 -11.761 11.371 1.00 21.53 C +ATOM 350 NE2 HIS A 213 -47.060 -10.888 11.907 1.00 21.26 N +ATOM 351 N SER A 214 -44.533 -15.922 8.401 1.00 17.92 N +ATOM 352 CA SER A 214 -43.835 -16.637 7.317 1.00 19.10 C +ATOM 353 C SER A 214 -42.890 -15.727 6.548 1.00 18.52 C +ATOM 354 O SER A 214 -41.765 -16.093 6.253 1.00 18.58 O +ATOM 355 CB SER A 214 -44.830 -17.290 6.356 1.00 19.46 C +ATOM 356 OG SER A 214 -45.258 -18.530 6.890 1.00 23.83 O +ATOM 357 N ARG A 215 -43.344 -14.515 6.254 1.00 18.42 N +ATOM 358 CA ARG A 215 -42.464 -13.537 5.651 1.00 18.42 C +ATOM 359 C ARG A 215 -41.666 -12.820 6.745 1.00 17.97 C +ATOM 360 O ARG A 215 -42.240 -12.338 7.726 1.00 19.04 O +ATOM 361 CB ARG A 215 -43.275 -12.525 4.835 1.00 18.99 C +ATOM 362 CG ARG A 215 -42.421 -11.489 4.100 1.00 19.30 C +ATOM 363 CD ARG A 215 -43.301 -10.359 3.594 1.00 20.84 C +ATOM 364 NE ARG A 215 -43.854 -9.573 4.697 1.00 20.02 N +ATOM 365 CZ ARG A 215 -44.864 -8.706 4.586 1.00 22.74 C +ATOM 366 NH1 ARG A 215 -45.467 -8.510 3.418 1.00 23.51 N +ATOM 367 NH2 ARG A 215 -45.282 -8.040 5.656 1.00 23.60 N +ATOM 368 N GLN A 216 -40.348 -12.761 6.573 1.00 17.58 N +ATOM 369 CA GLN A 216 -39.487 -11.936 7.424 1.00 16.83 C +ATOM 370 C GLN A 216 -38.810 -10.882 6.577 1.00 16.91 C +ATOM 371 O GLN A 216 -38.184 -11.199 5.561 1.00 16.53 O +ATOM 372 CB GLN A 216 -38.417 -12.769 8.150 1.00 16.94 C +ATOM 373 CG GLN A 216 -38.974 -13.769 9.161 1.00 16.52 C +ATOM 374 CD GLN A 216 -39.640 -13.095 10.339 1.00 16.09 C +ATOM 375 OE1 GLN A 216 -39.027 -12.252 11.022 1.00 15.64 O +ATOM 376 NE2 GLN A 216 -40.893 -13.457 10.589 1.00 14.49 N +ATOM 377 N CYS A 217 -38.912 -9.625 7.014 1.00 16.94 N +ATOM 378 CA CYS A 217 -38.270 -8.525 6.294 1.00 16.91 C +ATOM 379 C CYS A 217 -37.384 -7.678 7.198 1.00 16.97 C +ATOM 380 O CYS A 217 -37.647 -7.538 8.411 1.00 16.75 O +ATOM 381 CB CYS A 217 -39.320 -7.622 5.639 1.00 17.22 C +ATOM 382 SG CYS A 217 -40.478 -8.464 4.537 1.00 18.26 S +ATOM 383 N GLU A 218 -36.340 -7.121 6.592 1.00 16.79 N +ATOM 384 CA GLU A 218 -35.546 -6.069 7.216 1.00 18.15 C +ATOM 385 C GLU A 218 -36.422 -4.859 7.451 1.00 17.77 C +ATOM 386 O GLU A 218 -37.338 -4.577 6.663 1.00 17.55 O +ATOM 387 CB GLU A 218 -34.398 -5.636 6.313 1.00 18.22 C +ATOM 388 CG GLU A 218 -33.270 -6.626 6.156 1.00 21.61 C +ATOM 389 CD GLU A 218 -32.200 -6.090 5.225 1.00 24.73 C +ATOM 390 OE1 GLU A 218 -31.004 -6.339 5.502 1.00 27.34 O +ATOM 391 OE2 GLU A 218 -32.550 -5.418 4.222 1.00 24.10 O +ATOM 392 N THR A 219 -36.117 -4.151 8.538 1.00 17.82 N +ATOM 393 CA THR A 219 -36.720 -2.866 8.838 1.00 17.58 C +ATOM 394 C THR A 219 -35.901 -1.783 8.146 1.00 17.52 C +ATOM 395 O THR A 219 -34.672 -1.758 8.234 1.00 17.92 O +ATOM 396 CB THR A 219 -36.804 -2.634 10.359 1.00 17.50 C +ATOM 397 OG1 THR A 219 -37.707 -3.591 10.934 1.00 17.69 O +ATOM 398 CG2 THR A 219 -37.329 -1.232 10.673 1.00 16.71 C +ATOM 399 N SER A 220 -36.592 -0.905 7.431 1.00 18.10 N +ATOM 400 CA SER A 220 -35.936 0.177 6.727 1.00 18.76 C +ATOM 401 C SER A 220 -36.502 1.537 7.156 1.00 18.01 C +ATOM 402 O SER A 220 -37.695 1.670 7.389 1.00 17.11 O +ATOM 403 CB SER A 220 -36.107 -0.010 5.226 1.00 19.04 C +ATOM 404 OG SER A 220 -35.857 1.208 4.553 1.00 22.71 O +ATOM 405 N MET A 221 -35.635 2.537 7.222 1.00 18.98 N +ATOM 406 CA MET A 221 -36.036 3.903 7.580 1.00 21.13 C +ATOM 407 C MET A 221 -35.385 4.915 6.636 1.00 20.38 C +ATOM 408 O MET A 221 -35.168 6.072 7.002 1.00 19.76 O +ATOM 409 CB MET A 221 -35.626 4.216 9.027 1.00 20.63 C +ATOM 410 CG MET A 221 -36.286 3.349 10.096 1.00 22.82 C +ATOM 411 SD MET A 221 -35.787 3.830 11.765 1.00 26.61 S +ATOM 412 CE MET A 221 -36.444 5.490 11.874 1.00 25.56 C +ATOM 413 N ASP A 222 -35.073 4.478 5.418 1.00 20.40 N +ATOM 414 CA ASP A 222 -34.270 5.298 4.508 1.00 20.45 C +ATOM 415 C ASP A 222 -34.877 5.473 3.121 1.00 20.58 C +ATOM 416 O ASP A 222 -34.208 5.977 2.228 1.00 20.57 O +ATOM 417 CB ASP A 222 -32.856 4.725 4.386 1.00 20.76 C +ATOM 418 CG ASP A 222 -32.849 3.279 3.882 1.00 20.03 C +ATOM 419 OD1 ASP A 222 -31.774 2.660 3.934 1.00 22.26 O +ATOM 420 OD2 ASP A 222 -33.911 2.768 3.445 1.00 21.53 O +ATOM 421 N GLY A 223 -36.125 5.041 2.943 1.00 20.55 N +ATOM 422 CA GLY A 223 -36.815 5.170 1.658 1.00 21.58 C +ATOM 423 C GLY A 223 -36.480 4.069 0.668 1.00 21.57 C +ATOM 424 O GLY A 223 -36.861 4.134 -0.498 1.00 21.96 O +ATOM 425 N GLU A 224 -35.766 3.053 1.141 1.00 21.38 N +ATOM 426 CA GLU A 224 -35.450 1.891 0.324 1.00 21.72 C +ATOM 427 C GLU A 224 -36.126 0.661 0.914 1.00 21.14 C +ATOM 428 O GLU A 224 -36.255 0.536 2.135 1.00 20.93 O +ATOM 429 CB GLU A 224 -33.948 1.673 0.260 1.00 22.09 C +ATOM 430 CG GLU A 224 -33.177 2.741 -0.500 1.00 24.47 C +ATOM 431 CD GLU A 224 -31.682 2.620 -0.299 1.00 28.43 C +ATOM 432 OE1 GLU A 224 -31.207 1.510 0.038 1.00 30.43 O +ATOM 433 OE2 GLU A 224 -30.980 3.638 -0.483 1.00 31.11 O +ATOM 434 N ALA A 225 -36.575 -0.234 0.039 1.00 20.59 N +ATOM 435 CA ALA A 225 -37.186 -1.492 0.463 1.00 20.30 C +ATOM 436 C ALA A 225 -36.151 -2.361 1.188 1.00 19.93 C +ATOM 437 O ALA A 225 -35.013 -2.494 0.724 1.00 19.69 O +ATOM 438 CB ALA A 225 -37.732 -2.226 -0.750 1.00 20.55 C +ATOM 439 N GLY A 226 -36.537 -2.937 2.327 1.00 19.20 N +ATOM 440 CA GLY A 226 -35.705 -3.955 2.980 1.00 18.85 C +ATOM 441 C GLY A 226 -35.821 -5.315 2.294 1.00 18.42 C +ATOM 442 O GLY A 226 -36.804 -5.578 1.596 1.00 18.31 O +ATOM 443 N LEU A 227 -34.808 -6.166 2.487 1.00 18.11 N +ATOM 444 CA LEU A 227 -34.812 -7.532 1.968 1.00 17.92 C +ATOM 445 C LEU A 227 -35.853 -8.348 2.738 1.00 17.33 C +ATOM 446 O LEU A 227 -36.002 -8.161 3.945 1.00 16.48 O +ATOM 447 CB LEU A 227 -33.431 -8.175 2.139 1.00 18.26 C +ATOM 448 CG LEU A 227 -32.270 -7.657 1.283 1.00 20.78 C +ATOM 449 CD1 LEU A 227 -30.917 -8.132 1.816 1.00 23.35 C +ATOM 450 CD2 LEU A 227 -32.451 -8.046 -0.194 1.00 21.98 C +ATOM 451 N CYS A 228 -36.584 -9.216 2.037 1.00 16.71 N +ATOM 452 CA CYS A 228 -37.472 -10.166 2.703 1.00 17.38 C +ATOM 453 C CYS A 228 -37.100 -11.586 2.299 1.00 17.41 C +ATOM 454 O CYS A 228 -36.573 -11.806 1.216 1.00 17.14 O +ATOM 455 CB CYS A 228 -38.947 -9.920 2.362 1.00 17.03 C +ATOM 456 SG CYS A 228 -39.619 -8.273 2.708 1.00 18.75 S +ATOM 457 N TRP A 229 -37.406 -12.535 3.178 1.00 17.59 N +ATOM 458 CA TRP A 229 -37.214 -13.963 2.910 1.00 18.64 C +ATOM 459 C TRP A 229 -38.313 -14.754 3.622 1.00 18.91 C +ATOM 460 O TRP A 229 -39.155 -14.171 4.325 1.00 18.74 O +ATOM 461 CB TRP A 229 -35.820 -14.414 3.366 1.00 19.05 C +ATOM 462 CG TRP A 229 -35.545 -14.189 4.825 1.00 19.34 C +ATOM 463 CD1 TRP A 229 -35.685 -15.100 5.834 1.00 19.36 C +ATOM 464 CD2 TRP A 229 -35.086 -12.975 5.440 1.00 19.75 C +ATOM 465 NE1 TRP A 229 -35.345 -14.530 7.042 1.00 19.95 N +ATOM 466 CE2 TRP A 229 -34.964 -13.230 6.829 1.00 19.97 C +ATOM 467 CE3 TRP A 229 -34.763 -11.698 4.953 1.00 19.95 C +ATOM 468 CZ2 TRP A 229 -34.541 -12.251 7.739 1.00 20.31 C +ATOM 469 CZ3 TRP A 229 -34.324 -10.728 5.858 1.00 19.00 C +ATOM 470 CH2 TRP A 229 -34.228 -11.008 7.234 1.00 19.70 C +ATOM 471 N CYS A 230 -38.301 -16.079 3.450 1.00 18.85 N +ATOM 472 CA CYS A 230 -39.332 -16.931 4.016 1.00 18.94 C +ATOM 473 C CYS A 230 -38.794 -17.854 5.106 1.00 18.50 C +ATOM 474 O CYS A 230 -37.736 -18.464 4.946 1.00 18.93 O +ATOM 475 CB CYS A 230 -40.004 -17.763 2.915 1.00 19.33 C +ATOM 476 SG CYS A 230 -40.630 -16.761 1.539 1.00 21.95 S +ATOM 477 N VAL A 231 -39.537 -17.962 6.205 1.00 18.37 N +ATOM 478 CA VAL A 231 -39.114 -18.795 7.338 1.00 17.92 C +ATOM 479 C VAL A 231 -40.202 -19.788 7.737 1.00 17.70 C +ATOM 480 O VAL A 231 -41.346 -19.646 7.344 1.00 17.73 O +ATOM 481 CB VAL A 231 -38.723 -17.944 8.571 1.00 18.29 C +ATOM 482 CG1 VAL A 231 -37.542 -17.009 8.238 1.00 18.20 C +ATOM 483 CG2 VAL A 231 -39.946 -17.177 9.121 1.00 18.39 C +ATOM 484 N TYR A 232 -39.826 -20.793 8.525 1.00 18.07 N +ATOM 485 CA TYR A 232 -40.801 -21.624 9.208 1.00 18.02 C +ATOM 486 C TYR A 232 -41.359 -20.832 10.407 1.00 17.80 C +ATOM 487 O TYR A 232 -40.593 -20.347 11.239 1.00 17.24 O +ATOM 488 CB TYR A 232 -40.142 -22.912 9.681 1.00 18.50 C +ATOM 489 CG TYR A 232 -39.552 -23.774 8.570 1.00 18.40 C +ATOM 490 CD1 TYR A 232 -40.379 -24.437 7.660 1.00 20.13 C +ATOM 491 CD2 TYR A 232 -38.167 -23.966 8.470 1.00 18.40 C +ATOM 492 CE1 TYR A 232 -39.841 -25.241 6.655 1.00 19.48 C +ATOM 493 CE2 TYR A 232 -37.617 -24.774 7.465 1.00 18.57 C +ATOM 494 CZ TYR A 232 -38.465 -25.404 6.570 1.00 19.11 C +ATOM 495 OH TYR A 232 -37.938 -26.204 5.592 1.00 18.92 O +ATOM 496 N PRO A 233 -42.695 -20.681 10.497 1.00 18.03 N +ATOM 497 CA PRO A 233 -43.253 -19.870 11.598 1.00 17.74 C +ATOM 498 C PRO A 233 -42.902 -20.308 13.024 1.00 17.82 C +ATOM 499 O PRO A 233 -42.882 -19.469 13.932 1.00 17.24 O +ATOM 500 CB PRO A 233 -44.765 -19.946 11.362 1.00 17.97 C +ATOM 501 CG PRO A 233 -44.897 -20.256 9.893 1.00 18.42 C +ATOM 502 CD PRO A 233 -43.756 -21.183 9.606 1.00 18.27 C +ATOM 503 N TRP A 234 -42.624 -21.598 13.224 1.00 17.63 N +ATOM 504 CA TRP A 234 -42.345 -22.098 14.563 1.00 17.85 C +ATOM 505 C TRP A 234 -40.928 -21.831 15.057 1.00 17.77 C +ATOM 506 O TRP A 234 -40.704 -21.864 16.260 1.00 18.60 O +ATOM 507 CB TRP A 234 -42.687 -23.593 14.706 1.00 17.64 C +ATOM 508 CG TRP A 234 -41.958 -24.497 13.754 1.00 16.96 C +ATOM 509 CD1 TRP A 234 -40.786 -25.170 13.983 1.00 17.91 C +ATOM 510 CD2 TRP A 234 -42.363 -24.836 12.425 1.00 17.13 C +ATOM 511 NE1 TRP A 234 -40.439 -25.906 12.866 1.00 16.95 N +ATOM 512 CE2 TRP A 234 -41.387 -25.721 11.899 1.00 17.40 C +ATOM 513 CE3 TRP A 234 -43.459 -24.480 11.625 1.00 17.41 C +ATOM 514 CZ2 TRP A 234 -41.478 -26.259 10.606 1.00 17.51 C +ATOM 515 CZ3 TRP A 234 -43.546 -25.004 10.342 1.00 17.72 C +ATOM 516 CH2 TRP A 234 -42.555 -25.887 9.843 1.00 17.50 C +ATOM 517 N ASN A 235 -39.983 -21.554 14.152 1.00 17.27 N +ATOM 518 CA ASN A 235 -38.590 -21.315 14.560 1.00 17.29 C +ATOM 519 C ASN A 235 -37.885 -20.097 13.941 1.00 17.16 C +ATOM 520 O ASN A 235 -36.793 -19.751 14.367 1.00 16.87 O +ATOM 521 CB ASN A 235 -37.726 -22.587 14.409 1.00 17.29 C +ATOM 522 CG ASN A 235 -37.407 -22.934 12.950 1.00 17.80 C +ATOM 523 OD1 ASN A 235 -37.834 -22.248 12.018 1.00 17.44 O +ATOM 524 ND2 ASN A 235 -36.651 -24.020 12.754 1.00 18.23 N +ATOM 525 N GLY A 236 -38.506 -19.473 12.940 1.00 17.50 N +ATOM 526 CA GLY A 236 -37.957 -18.276 12.295 1.00 18.22 C +ATOM 527 C GLY A 236 -36.688 -18.500 11.480 1.00 19.13 C +ATOM 528 O GLY A 236 -35.952 -17.548 11.210 1.00 18.66 O +ATOM 529 N LYS A 237 -36.427 -19.755 11.099 1.00 18.90 N +ATOM 530 CA LYS A 237 -35.253 -20.079 10.303 1.00 20.07 C +ATOM 531 C LYS A 237 -35.652 -20.086 8.836 1.00 20.62 C +ATOM 532 O LYS A 237 -36.709 -20.607 8.487 1.00 20.15 O +ATOM 533 CB LYS A 237 -34.658 -21.438 10.712 1.00 20.03 C +ATOM 534 CG LYS A 237 -34.152 -21.504 12.151 1.00 19.85 C +ATOM 535 CD LYS A 237 -33.395 -22.819 12.393 1.00 20.64 C +ATOM 536 CE LYS A 237 -32.887 -22.927 13.828 1.00 20.64 C +ATOM 537 NZ LYS A 237 -32.303 -24.281 14.128 1.00 19.43 N +ATOM 538 N ARG A 238 -34.811 -19.483 7.993 1.00 21.63 N +ATOM 539 CA ARG A 238 -35.054 -19.421 6.556 1.00 22.74 C +ATOM 540 C ARG A 238 -35.290 -20.815 5.978 1.00 23.18 C +ATOM 541 O ARG A 238 -34.580 -21.765 6.321 1.00 23.36 O +ATOM 542 CB ARG A 238 -33.882 -18.738 5.842 1.00 23.15 C +ATOM 543 CG ARG A 238 -34.126 -18.455 4.367 1.00 24.78 C +ATOM 544 CD ARG A 238 -32.909 -17.817 3.729 1.00 29.07 C +ATOM 545 NE ARG A 238 -33.127 -17.584 2.305 1.00 32.71 N +ATOM 546 CZ ARG A 238 -32.328 -16.860 1.525 1.00 33.80 C +ATOM 547 NH1 ARG A 238 -31.254 -16.265 2.028 1.00 35.30 N +ATOM 548 NH2 ARG A 238 -32.617 -16.721 0.240 1.00 34.89 N +ATOM 549 N ILE A 239 -36.322 -20.928 5.150 1.00 23.39 N +ATOM 550 CA ILE A 239 -36.608 -22.157 4.423 1.00 24.14 C +ATOM 551 C ILE A 239 -35.552 -22.319 3.324 1.00 25.20 C +ATOM 552 O ILE A 239 -35.352 -21.409 2.518 1.00 25.16 O +ATOM 553 CB ILE A 239 -38.055 -22.159 3.856 1.00 23.81 C +ATOM 554 CG1 ILE A 239 -39.067 -21.960 4.997 1.00 24.06 C +ATOM 555 CG2 ILE A 239 -38.335 -23.450 3.074 1.00 23.17 C +ATOM 556 CD1 ILE A 239 -40.505 -21.711 4.571 1.00 23.96 C +ATOM 557 N PRO A 240 -34.847 -23.471 3.301 1.00 26.03 N +ATOM 558 CA PRO A 240 -33.817 -23.658 2.275 1.00 26.67 C +ATOM 559 C PRO A 240 -34.410 -23.482 0.877 1.00 26.91 C +ATOM 560 O PRO A 240 -35.524 -23.932 0.615 1.00 27.37 O +ATOM 561 CB PRO A 240 -33.340 -25.096 2.513 1.00 26.80 C +ATOM 562 CG PRO A 240 -33.660 -25.369 3.954 1.00 26.50 C +ATOM 563 CD PRO A 240 -34.952 -24.638 4.200 1.00 26.11 C +ATOM 564 N GLY A 241 -33.693 -22.777 0.010 1.00 27.81 N +ATOM 565 CA GLY A 241 -34.199 -22.463 -1.334 1.00 28.67 C +ATOM 566 C GLY A 241 -35.099 -21.232 -1.404 1.00 29.09 C +ATOM 567 O GLY A 241 -35.506 -20.821 -2.500 1.00 29.78 O +ATOM 568 N SER A 242 -35.406 -20.646 -0.245 1.00 29.22 N +ATOM 569 CA SER A 242 -36.237 -19.436 -0.167 1.00 28.62 C +ATOM 570 C SER A 242 -35.646 -18.301 -0.992 1.00 28.58 C +ATOM 571 O SER A 242 -34.427 -18.089 -0.985 1.00 28.71 O +ATOM 572 CB SER A 242 -36.433 -18.977 1.290 1.00 28.97 C +ATOM 573 OG SER A 242 -36.756 -17.583 1.376 1.00 27.17 O +ATOM 574 N PRO A 243 -36.506 -17.572 -1.722 1.00 28.39 N +ATOM 575 CA PRO A 243 -36.007 -16.356 -2.349 1.00 28.39 C +ATOM 576 C PRO A 243 -35.683 -15.295 -1.290 1.00 28.20 C +ATOM 577 O PRO A 243 -36.259 -15.313 -0.194 1.00 27.71 O +ATOM 578 CB PRO A 243 -37.167 -15.904 -3.244 1.00 28.46 C +ATOM 579 CG PRO A 243 -38.367 -16.600 -2.761 1.00 28.86 C +ATOM 580 CD PRO A 243 -37.933 -17.820 -2.003 1.00 28.47 C +ATOM 581 N GLU A 244 -34.736 -14.419 -1.613 1.00 27.80 N +ATOM 582 CA GLU A 244 -34.478 -13.212 -0.837 1.00 28.29 C +ATOM 583 C GLU A 244 -34.515 -12.022 -1.795 1.00 27.43 C +ATOM 584 O GLU A 244 -33.620 -11.854 -2.622 1.00 27.85 O +ATOM 585 CB GLU A 244 -33.138 -13.293 -0.100 1.00 28.06 C +ATOM 586 CG GLU A 244 -32.866 -12.110 0.845 1.00 29.84 C +ATOM 587 CD GLU A 244 -31.803 -12.400 1.897 1.00 30.20 C +ATOM 588 OE1 GLU A 244 -31.390 -13.572 2.032 1.00 33.67 O +ATOM 589 OE2 GLU A 244 -31.387 -11.453 2.609 1.00 34.03 O +ATOM 590 N ILE A 245 -35.563 -11.214 -1.682 1.00 26.43 N +ATOM 591 CA ILE A 245 -35.780 -10.075 -2.583 1.00 25.65 C +ATOM 592 C ILE A 245 -36.217 -8.832 -1.801 1.00 25.29 C +ATOM 593 O ILE A 245 -36.768 -8.951 -0.700 1.00 25.02 O +ATOM 594 CB ILE A 245 -36.850 -10.402 -3.671 1.00 25.53 C +ATOM 595 CG1 ILE A 245 -38.173 -10.846 -3.033 1.00 25.35 C +ATOM 596 CG2 ILE A 245 -36.325 -11.466 -4.663 1.00 24.89 C +ATOM 597 CD1 ILE A 245 -39.407 -10.707 -3.934 1.00 26.20 C +ATOM 598 N ARG A 246 -36.004 -7.648 -2.381 1.00 24.57 N +ATOM 599 CA ARG A 246 -36.526 -6.407 -1.793 1.00 24.09 C +ATOM 600 C ARG A 246 -37.988 -6.209 -2.186 1.00 23.73 C +ATOM 601 O ARG A 246 -38.334 -5.370 -3.019 1.00 22.92 O +ATOM 602 CB ARG A 246 -35.657 -5.200 -2.156 1.00 24.34 C +ATOM 603 CG ARG A 246 -34.232 -5.365 -1.662 1.00 25.49 C +ATOM 604 CD ARG A 246 -33.359 -4.136 -1.804 1.00 25.90 C +ATOM 605 NE ARG A 246 -32.020 -4.466 -1.317 1.00 27.00 N +ATOM 606 CZ ARG A 246 -31.617 -4.321 -0.057 1.00 28.42 C +ATOM 607 NH1 ARG A 246 -32.447 -3.835 0.870 1.00 27.71 N +ATOM 608 NH2 ARG A 246 -30.378 -4.676 0.281 1.00 29.27 N +ATOM 609 N GLY A 247 -38.835 -7.026 -1.580 1.00 23.42 N +ATOM 610 CA GLY A 247 -40.259 -7.039 -1.851 1.00 24.01 C +ATOM 611 C GLY A 247 -40.829 -8.273 -1.197 1.00 24.50 C +ATOM 612 O GLY A 247 -40.080 -9.077 -0.649 1.00 24.29 O +ATOM 613 N ASP A 248 -42.149 -8.408 -1.235 1.00 25.16 N +ATOM 614 CA ASP A 248 -42.824 -9.555 -0.633 1.00 26.30 C +ATOM 615 C ASP A 248 -42.603 -10.798 -1.502 1.00 26.46 C +ATOM 616 O ASP A 248 -43.038 -10.830 -2.651 1.00 26.50 O +ATOM 617 CB ASP A 248 -44.319 -9.255 -0.467 1.00 26.46 C +ATOM 618 CG ASP A 248 -45.036 -10.274 0.400 1.00 27.46 C +ATOM 619 OD1 ASP A 248 -45.923 -9.862 1.176 1.00 29.63 O +ATOM 620 OD2 ASP A 248 -44.724 -11.481 0.312 1.00 29.49 O +ATOM 621 N PRO A 249 -41.919 -11.825 -0.954 1.00 27.01 N +ATOM 622 CA PRO A 249 -41.616 -13.040 -1.719 1.00 27.12 C +ATOM 623 C PRO A 249 -42.839 -13.935 -1.935 1.00 27.58 C +ATOM 624 O PRO A 249 -42.747 -14.917 -2.670 1.00 27.69 O +ATOM 625 CB PRO A 249 -40.575 -13.763 -0.842 1.00 27.25 C +ATOM 626 CG PRO A 249 -40.172 -12.767 0.229 1.00 26.22 C +ATOM 627 CD PRO A 249 -41.376 -11.906 0.415 1.00 26.82 C +ATOM 628 N ASN A 250 -43.965 -13.578 -1.315 1.00 28.06 N +ATOM 629 CA ASN A 250 -45.188 -14.384 -1.319 1.00 28.66 C +ATOM 630 C ASN A 250 -44.915 -15.766 -0.728 1.00 28.70 C +ATOM 631 O ASN A 250 -44.998 -16.798 -1.417 1.00 29.19 O +ATOM 632 CB ASN A 250 -45.827 -14.456 -2.721 1.00 29.27 C +ATOM 633 CG ASN A 250 -46.426 -13.126 -3.167 1.00 31.00 C +ATOM 634 OD1 ASN A 250 -46.227 -12.687 -4.308 1.00 34.38 O +ATOM 635 ND2 ASN A 250 -47.167 -12.478 -2.272 1.00 31.93 N +ATOM 636 N CYS A 251 -44.571 -15.756 0.557 1.00 28.18 N +ATOM 637 CA CYS A 251 -44.118 -16.941 1.273 1.00 27.85 C +ATOM 638 C CYS A 251 -45.248 -17.940 1.495 1.00 28.66 C +ATOM 639 O CYS A 251 -46.370 -17.574 1.840 1.00 29.40 O +ATOM 640 CB CYS A 251 -43.484 -16.541 2.607 1.00 27.05 C +ATOM 641 SG CYS A 251 -41.988 -15.536 2.435 1.00 22.88 S +ATOM 642 OXT CYS A 251 -45.044 -19.143 1.329 1.00 29.75 O Added: SwiftApps/modFTdock/input/2c60-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2c60-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2c60-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,681 @@ +ATOM 1 N GLY A -10 5.672 41.889 10.411 1.00 32.96 N +ATOM 2 CA GLY A -10 6.271 43.253 10.313 1.00 32.76 C +ATOM 3 C GLY A -10 5.378 44.263 10.995 1.00 32.40 C +ATOM 4 O GLY A -10 5.619 44.648 12.146 1.00 32.58 O +ATOM 5 N THR A -9 4.331 44.678 10.287 1.00 31.46 N +ATOM 6 CA THR A -9 3.258 45.456 10.892 1.00 31.06 C +ATOM 7 C THR A -9 2.474 44.565 11.860 1.00 31.44 C +ATOM 8 O THR A -9 2.021 45.022 12.914 1.00 31.32 O +ATOM 9 CB THR A -9 2.318 46.048 9.816 1.00 30.66 C +ATOM 10 OG1 THR A -9 3.090 46.805 8.877 1.00 29.93 O +ATOM 11 CG2 THR A -9 1.277 46.963 10.441 1.00 30.34 C +ATOM 12 N GLU A -8 2.317 43.291 11.490 1.00 31.96 N +ATOM 13 CA GLU A -8 1.741 42.281 12.378 1.00 31.79 C +ATOM 14 C GLU A -8 2.607 42.086 13.617 1.00 31.52 C +ATOM 15 O GLU A -8 2.093 42.036 14.734 1.00 31.42 O +ATOM 16 CB GLU A -8 1.583 40.950 11.641 1.00 31.93 C +ATOM 17 N ASN A -7 3.922 41.988 13.422 1.00 31.21 N +ATOM 18 CA ASN A -7 4.869 41.879 14.539 1.00 30.77 C +ATOM 19 C ASN A -7 4.789 43.068 15.491 1.00 30.00 C +ATOM 20 O ASN A -7 4.865 42.892 16.709 1.00 30.84 O +ATOM 21 CB ASN A -7 6.306 41.714 14.037 1.00 30.75 C +ATOM 22 N LEU A -6 4.632 44.277 14.943 1.00 28.62 N +ATOM 23 CA LEU A -6 4.432 45.464 15.781 1.00 27.79 C +ATOM 24 C LEU A -6 3.059 45.400 16.436 1.00 27.60 C +ATOM 25 O LEU A -6 2.923 45.692 17.627 1.00 28.01 O +ATOM 26 CB LEU A -6 4.570 46.748 14.958 1.00 27.08 C +ATOM 27 CG LEU A -6 4.193 48.064 15.660 1.00 26.09 C +ATOM 28 CD1 LEU A -6 4.995 48.291 16.938 1.00 26.02 C +ATOM 29 CD2 LEU A -6 4.363 49.214 14.690 1.00 26.34 C +ATOM 30 N SER A 43 9.871 34.845 21.974 1.00 21.30 N +ATOM 31 CA SER A 43 10.641 33.843 21.245 1.00 20.25 C +ATOM 32 C SER A 43 11.585 34.472 20.234 1.00 18.39 C +ATOM 33 O SER A 43 12.241 33.746 19.510 1.00 18.35 O +ATOM 34 CB SER A 43 9.734 32.839 20.511 1.00 21.07 C +ATOM 35 OG SER A 43 9.045 33.453 19.427 1.00 23.97 O +ATOM 36 N ASP A 44 11.648 35.800 20.147 1.00 17.44 N +ATOM 37 CA ASP A 44 12.587 36.430 19.213 1.00 16.32 C +ATOM 38 C ASP A 44 14.019 36.033 19.550 1.00 14.98 C +ATOM 39 O ASP A 44 14.364 35.780 20.733 1.00 16.42 O +ATOM 40 CB ASP A 44 12.512 37.960 19.270 1.00 16.98 C +ATOM 41 CG ASP A 44 11.221 38.540 18.675 1.00 19.56 C +ATOM 42 OD1 ASP A 44 10.360 37.806 18.155 1.00 21.88 O +ATOM 43 OD2 ASP A 44 11.086 39.784 18.708 1.00 24.89 O +ATOM 44 N VAL A 45 14.841 35.993 18.508 1.00 13.42 N +ATOM 45 CA VAL A 45 16.267 35.758 18.651 1.00 12.32 C +ATOM 46 C VAL A 45 16.970 37.102 18.760 1.00 11.89 C +ATOM 47 O VAL A 45 16.834 37.944 17.862 1.00 12.68 O +ATOM 48 CB VAL A 45 16.819 34.982 17.436 1.00 13.00 C +ATOM 49 CG1 VAL A 45 18.324 34.910 17.498 1.00 13.56 C +ATOM 50 CG2 VAL A 45 16.201 33.581 17.343 1.00 13.51 C +ATOM 51 N ARG A 46 17.657 37.334 19.875 1.00 12.46 N +ATOM 52 CA ARG A 46 18.418 38.552 20.084 1.00 13.49 C +ATOM 53 C ARG A 46 19.838 38.311 19.593 1.00 12.11 C +ATOM 54 O ARG A 46 20.506 37.395 20.052 1.00 13.40 O +ATOM 55 CB ARG A 46 18.412 38.916 21.569 1.00 13.98 C +ATOM 56 CG ARG A 46 17.022 39.248 22.076 1.00 18.06 C +ATOM 57 CD ARG A 46 16.968 39.290 23.614 1.00 21.39 C +ATOM 58 NE ARG A 46 17.668 40.453 24.141 1.00 26.48 N +ATOM 59 CZ ARG A 46 18.755 40.440 24.923 1.00 28.45 C +ATOM 60 NH1 ARG A 46 19.353 39.307 25.298 1.00 29.87 N +ATOM 61 NH2 ARG A 46 19.262 41.593 25.337 1.00 29.93 N +ATOM 62 N ILE A 47 20.280 39.111 18.641 1.00 10.76 N +ATOM 63 CA ILE A 47 21.637 39.018 18.120 1.00 11.34 C +ATOM 64 C ILE A 47 22.433 40.195 18.628 1.00 11.49 C +ATOM 65 O ILE A 47 22.028 41.339 18.487 1.00 12.54 O +ATOM 66 CB ILE A 47 21.647 38.945 16.598 1.00 11.37 C +ATOM 67 CG1 ILE A 47 20.843 37.729 16.111 1.00 12.71 C +ATOM 68 CG2 ILE A 47 23.079 38.891 16.119 1.00 12.46 C +ATOM 69 CD1 ILE A 47 20.866 37.517 14.560 1.00 13.56 C +ATOM 70 N LYS A 48 23.558 39.888 19.262 1.00 11.93 N +ATOM 71 CA LYS A 48 24.472 40.910 19.749 1.00 12.49 C +ATOM 72 C LYS A 48 25.578 41.081 18.714 1.00 12.27 C +ATOM 73 O LYS A 48 26.503 40.256 18.627 1.00 13.21 O +ATOM 74 CB LYS A 48 25.061 40.519 21.115 1.00 13.72 C +ATOM 75 CG LYS A 48 25.913 41.611 21.710 1.00 14.81 C +ATOM 76 CD LYS A 48 26.519 41.211 23.056 1.00 18.67 C +ATOM 77 CE LYS A 48 25.537 41.216 24.177 1.00 22.44 C +ATOM 78 NZ LYS A 48 26.214 40.877 25.469 1.00 25.91 N +ATOM 79 N PHE A 49 25.456 42.142 17.917 1.00 11.49 N +ATOM 80 CA PHE A 49 26.418 42.454 16.868 1.00 11.76 C +ATOM 81 C PHE A 49 27.561 43.268 17.440 1.00 12.53 C +ATOM 82 O PHE A 49 27.326 44.236 18.143 1.00 15.12 O +ATOM 83 CB PHE A 49 25.762 43.260 15.761 1.00 12.11 C +ATOM 84 CG PHE A 49 24.744 42.502 14.972 1.00 11.29 C +ATOM 85 CD1 PHE A 49 25.135 41.525 14.085 1.00 12.41 C +ATOM 86 CD2 PHE A 49 23.390 42.803 15.047 1.00 12.25 C +ATOM 87 CE1 PHE A 49 24.228 40.859 13.309 1.00 12.70 C +ATOM 88 CE2 PHE A 49 22.463 42.120 14.280 1.00 13.88 C +ATOM 89 CZ PHE A 49 22.880 41.149 13.412 1.00 13.18 C +ATOM 90 N GLU A 50 28.788 42.905 17.077 1.00 13.15 N +ATOM 91 CA GLU A 50 29.957 43.694 17.415 1.00 14.34 C +ATOM 92 C GLU A 50 30.617 44.184 16.132 1.00 14.31 C +ATOM 93 O GLU A 50 30.972 43.389 15.272 1.00 14.21 O +ATOM 94 CB GLU A 50 30.955 42.868 18.233 1.00 15.28 C +ATOM 95 CG GLU A 50 32.216 43.636 18.577 1.00 17.58 C +ATOM 96 CD GLU A 50 33.226 42.823 19.352 1.00 19.25 C +ATOM 97 OE1 GLU A 50 32.837 42.083 20.281 1.00 24.42 O +ATOM 98 OE2 GLU A 50 34.424 42.945 19.023 1.00 22.72 O +ATOM 99 N HIS A 51 30.799 45.493 16.013 1.00 14.50 N +ATOM 100 CA HIS A 51 31.513 46.058 14.886 1.00 15.60 C +ATOM 101 C HIS A 51 32.498 47.089 15.398 1.00 16.00 C +ATOM 102 O HIS A 51 32.104 48.056 16.063 1.00 17.39 O +ATOM 103 CB HIS A 51 30.586 46.702 13.874 1.00 16.05 C +ATOM 104 CG HIS A 51 31.295 47.104 12.627 1.00 17.56 C +ATOM 105 ND1 HIS A 51 31.147 48.349 12.057 1.00 21.54 N +ATOM 106 CD2 HIS A 51 32.202 46.443 11.866 1.00 18.72 C +ATOM 107 CE1 HIS A 51 31.915 48.425 10.986 1.00 21.69 C +ATOM 108 NE2 HIS A 51 32.574 47.289 10.853 1.00 20.79 N +ATOM 109 N ASN A 52 33.785 46.884 15.112 1.00 16.06 N +ATOM 110 CA ASN A 52 34.864 47.773 15.556 1.00 17.50 C +ATOM 111 C ASN A 52 34.765 48.070 17.047 1.00 18.33 C +ATOM 112 O ASN A 52 34.934 49.207 17.479 1.00 20.27 O +ATOM 113 CB ASN A 52 34.916 49.051 14.714 1.00 17.99 C +ATOM 114 CG ASN A 52 35.329 48.782 13.281 1.00 19.91 C +ATOM 115 OD1 ASN A 52 36.087 47.858 13.001 1.00 22.04 O +ATOM 116 ND2 ASN A 52 34.839 49.599 12.368 1.00 25.26 N +ATOM 117 N GLY A 53 34.553 47.019 17.830 1.00 19.18 N +ATOM 118 CA GLY A 53 34.529 47.067 19.295 1.00 20.79 C +ATOM 119 C GLY A 53 33.240 47.559 19.932 1.00 21.83 C +ATOM 120 O GLY A 53 33.130 47.560 21.163 1.00 24.88 O +ATOM 121 N GLU A 54 32.271 47.983 19.118 1.00 21.60 N +ATOM 122 CA GLU A 54 30.998 48.511 19.599 1.00 21.51 C +ATOM 123 C GLU A 54 29.940 47.433 19.437 1.00 20.77 C +ATOM 124 O GLU A 54 29.896 46.759 18.404 1.00 20.26 O +ATOM 125 CB GLU A 54 30.589 49.734 18.789 1.00 22.03 C +ATOM 126 N ARG A 55 29.119 47.254 20.460 1.00 19.88 N +ATOM 127 CA ARG A 55 28.112 46.198 20.455 1.00 20.20 C +ATOM 128 C ARG A 55 26.708 46.762 20.532 1.00 18.87 C +ATOM 129 O ARG A 55 26.457 47.791 21.183 1.00 20.60 O +ATOM 130 CB ARG A 55 28.364 45.234 21.619 1.00 20.69 C +ATOM 131 CG ARG A 55 29.734 44.596 21.557 1.00 23.28 C +ATOM 132 CD ARG A 55 30.017 43.618 22.686 1.00 25.37 C +ATOM 133 NE ARG A 55 31.410 43.179 22.618 1.00 29.25 N +ATOM 134 CZ ARG A 55 32.445 43.799 23.187 1.00 30.72 C +ATOM 135 NH1 ARG A 55 32.288 44.914 23.896 1.00 29.86 N +ATOM 136 NH2 ARG A 55 33.665 43.290 23.048 1.00 30.74 N +ATOM 137 N ARG A 56 25.784 46.091 19.856 1.00 17.27 N +ATOM 138 CA ARG A 56 24.370 46.401 19.999 1.00 17.42 C +ATOM 139 C ARG A 56 23.547 45.166 19.763 1.00 16.30 C +ATOM 140 O ARG A 56 23.956 44.271 19.046 1.00 17.30 O +ATOM 141 CB ARG A 56 23.982 47.470 19.010 1.00 17.91 C +ATOM 142 CG ARG A 56 23.988 47.010 17.580 1.00 18.72 C +ATOM 143 CD ARG A 56 23.696 48.144 16.638 1.00 22.14 C +ATOM 144 NE ARG A 56 24.849 49.022 16.511 1.00 23.09 N +ATOM 145 CZ ARG A 56 24.866 50.157 15.831 1.00 24.58 C +ATOM 146 NH1 ARG A 56 23.776 50.604 15.207 1.00 23.33 N +ATOM 147 NH2 ARG A 56 25.986 50.861 15.796 1.00 26.35 N +ATOM 148 N ILE A 57 22.374 45.142 20.357 1.00 14.92 N +ATOM 149 CA ILE A 57 21.492 43.992 20.269 1.00 14.23 C +ATOM 150 C ILE A 57 20.332 44.340 19.350 1.00 13.32 C +ATOM 151 O ILE A 57 19.701 45.396 19.504 1.00 15.00 O +ATOM 152 CB ILE A 57 20.974 43.583 21.651 1.00 16.20 C +ATOM 153 CG1 ILE A 57 22.170 43.165 22.532 1.00 20.07 C +ATOM 154 CG2 ILE A 57 19.937 42.462 21.497 1.00 17.61 C +ATOM 155 CD1 ILE A 57 21.856 42.958 23.958 1.00 23.10 C +ATOM 156 N ILE A 58 20.068 43.456 18.394 1.00 11.86 N +ATOM 157 CA ILE A 58 18.934 43.584 17.512 1.00 12.55 C +ATOM 158 C ILE A 58 18.164 42.267 17.550 1.00 12.42 C +ATOM 159 O ILE A 58 18.748 41.204 17.444 1.00 12.30 O +ATOM 160 CB ILE A 58 19.402 43.931 16.072 1.00 13.17 C +ATOM 161 CG1 ILE A 58 20.184 45.249 16.090 1.00 14.84 C +ATOM 162 CG2 ILE A 58 18.209 44.001 15.156 1.00 14.02 C +ATOM 163 CD1 ILE A 58 20.728 45.662 14.762 1.00 15.26 C +ATOM 164 N ALA A 59 16.850 42.362 17.723 1.00 12.43 N +ATOM 165 CA ALA A 59 15.966 41.217 17.794 1.00 13.35 C +ATOM 166 C ALA A 59 15.387 40.858 16.437 1.00 12.55 C +ATOM 167 O ALA A 59 15.052 41.737 15.635 1.00 14.83 O +ATOM 168 CB ALA A 59 14.849 41.484 18.813 1.00 14.31 C +ATOM 169 N PHE A 60 15.282 39.556 16.187 1.00 12.83 N +ATOM 170 CA PHE A 60 14.705 39.013 14.962 1.00 13.29 C +ATOM 171 C PHE A 60 13.611 38.001 15.299 1.00 13.82 C +ATOM 172 O PHE A 60 13.824 37.090 16.100 1.00 14.24 O +ATOM 173 CB PHE A 60 15.793 38.312 14.118 1.00 12.84 C +ATOM 174 CG PHE A 60 16.828 39.250 13.552 1.00 12.80 C +ATOM 175 CD1 PHE A 60 16.714 39.769 12.278 1.00 13.63 C +ATOM 176 CD2 PHE A 60 17.909 39.645 14.327 1.00 13.50 C +ATOM 177 CE1 PHE A 60 17.658 40.664 11.810 1.00 13.46 C +ATOM 178 CE2 PHE A 60 18.843 40.519 13.834 1.00 13.43 C +ATOM 179 CZ PHE A 60 18.704 41.042 12.590 1.00 13.31 C +ATOM 180 N SER A 61 12.456 38.118 14.654 1.00 15.50 N +ATOM 181 CA SER A 61 11.407 37.121 14.822 1.00 16.79 C +ATOM 182 C SER A 61 11.767 35.799 14.153 1.00 16.13 C +ATOM 183 O SER A 61 12.394 35.780 13.089 1.00 16.33 O +ATOM 184 CB ASER A 61 10.086 37.652 14.283 0.50 17.77 C +ATOM 185 CB BSER A 61 10.104 37.628 14.199 0.50 17.85 C +ATOM 186 OG ASER A 61 10.205 37.927 12.910 0.50 19.50 O +ATOM 187 OG BSER A 61 9.596 38.741 14.901 0.50 20.22 O +ATOM 188 N ARG A 62 11.348 34.700 14.772 1.00 15.77 N +ATOM 189 CA ARG A 62 11.539 33.369 14.188 1.00 15.75 C +ATOM 190 C ARG A 62 10.442 33.067 13.171 1.00 16.81 C +ATOM 191 O ARG A 62 9.301 33.537 13.336 1.00 18.72 O +ATOM 192 CB ARG A 62 11.521 32.298 15.267 1.00 15.75 C +ATOM 193 CG ARG A 62 12.544 32.456 16.365 1.00 15.32 C +ATOM 194 CD ARG A 62 12.409 31.330 17.355 1.00 15.62 C +ATOM 195 NE ARG A 62 13.289 31.495 18.500 1.00 15.26 N +ATOM 196 CZ ARG A 62 14.379 30.792 18.758 1.00 13.61 C +ATOM 197 NH1 ARG A 62 14.817 29.867 17.929 1.00 14.31 N +ATOM 198 NH2 ARG A 62 15.041 31.056 19.873 1.00 14.15 N +ATOM 199 N PRO A 63 10.777 32.282 12.126 1.00 17.47 N +ATOM 200 CA PRO A 63 12.105 31.770 11.793 1.00 17.16 C +ATOM 201 C PRO A 63 13.007 32.873 11.250 1.00 16.56 C +ATOM 202 O PRO A 63 12.577 33.685 10.423 1.00 17.95 O +ATOM 203 CB PRO A 63 11.838 30.707 10.710 1.00 17.73 C +ATOM 204 CG PRO A 63 10.413 30.641 10.532 1.00 20.04 C +ATOM 205 CD PRO A 63 9.751 31.795 11.192 1.00 17.73 C +ATOM 206 N VAL A 64 14.241 32.925 11.726 1.00 14.98 N +ATOM 207 CA VAL A 64 15.173 33.965 11.312 1.00 13.98 C +ATOM 208 C VAL A 64 15.772 33.573 9.966 1.00 14.18 C +ATOM 209 O VAL A 64 16.398 32.510 9.848 1.00 15.03 O +ATOM 210 CB VAL A 64 16.284 34.143 12.361 1.00 13.62 C +ATOM 211 CG1 VAL A 64 17.194 35.267 11.959 1.00 13.97 C +ATOM 212 CG2 VAL A 64 15.699 34.421 13.747 1.00 13.73 C +ATOM 213 N LYS A 65 15.591 34.435 8.972 1.00 14.60 N +ATOM 214 CA LYS A 65 16.106 34.211 7.626 1.00 14.23 C +ATOM 215 C LYS A 65 17.455 34.885 7.435 1.00 13.42 C +ATOM 216 O LYS A 65 17.617 36.048 7.759 1.00 13.44 O +ATOM 217 CB LYS A 65 15.127 34.715 6.564 1.00 16.30 C +ATOM 218 CG LYS A 65 13.793 34.023 6.621 1.00 19.97 C +ATOM 219 CD LYS A 65 13.886 32.517 6.595 1.00 23.88 C +ATOM 220 N TYR A 66 18.406 34.140 6.905 1.00 13.17 N +ATOM 221 CA TYR A 66 19.753 34.649 6.643 1.00 13.50 C +ATOM 222 C TYR A 66 19.716 35.951 5.854 1.00 13.32 C +ATOM 223 O TYR A 66 20.375 36.909 6.210 1.00 12.65 O +ATOM 224 CB TYR A 66 20.524 33.578 5.882 1.00 14.06 C +ATOM 225 CG TYR A 66 21.954 33.917 5.611 1.00 13.70 C +ATOM 226 CD1 TYR A 66 22.917 33.764 6.599 1.00 13.85 C +ATOM 227 CD2 TYR A 66 22.360 34.385 4.370 1.00 13.20 C +ATOM 228 CE1 TYR A 66 24.214 34.053 6.363 1.00 14.43 C +ATOM 229 CE2 TYR A 66 23.682 34.685 4.127 1.00 14.57 C +ATOM 230 CZ TYR A 66 24.607 34.507 5.137 1.00 14.93 C +ATOM 231 OH TYR A 66 25.935 34.790 4.898 1.00 16.77 O +ATOM 232 N GLU A 67 18.906 35.999 4.800 1.00 14.44 N +ATOM 233 CA GLU A 67 18.868 37.176 3.954 1.00 15.74 C +ATOM 234 C GLU A 67 18.321 38.397 4.712 1.00 15.42 C +ATOM 235 O GLU A 67 18.724 39.537 4.444 1.00 15.41 O +ATOM 236 CB AGLU A 67 18.115 36.865 2.658 0.50 16.60 C +ATOM 237 CB BGLU A 67 18.033 36.925 2.695 0.50 16.48 C +ATOM 238 CG AGLU A 67 18.830 35.792 1.775 0.50 18.51 C +ATOM 239 CG BGLU A 67 16.555 36.593 2.940 0.50 17.96 C +ATOM 240 CD AGLU A 67 18.775 34.364 2.348 0.50 19.97 C +ATOM 241 CD BGLU A 67 16.240 35.087 3.005 0.50 19.08 C +ATOM 242 OE1AGLU A 67 17.826 34.062 3.108 0.50 19.12 O +ATOM 243 OE1BGLU A 67 17.135 34.281 3.351 0.50 19.17 O +ATOM 244 OE2AGLU A 67 19.671 33.537 2.029 0.50 21.61 O +ATOM 245 OE2BGLU A 67 15.071 34.705 2.726 0.50 21.31 O +ATOM 246 N ASP A 68 17.473 38.161 5.702 1.00 15.06 N +ATOM 247 CA ASP A 68 16.935 39.243 6.509 1.00 15.50 C +ATOM 248 C ASP A 68 17.975 39.786 7.484 1.00 14.10 C +ATOM 249 O ASP A 68 18.060 40.994 7.710 1.00 13.55 O +ATOM 250 CB ASP A 68 15.694 38.769 7.274 1.00 16.65 C +ATOM 251 CG ASP A 68 14.471 38.578 6.383 1.00 19.35 C +ATOM 252 OD1 ASP A 68 14.458 39.034 5.227 1.00 22.68 O +ATOM 253 OD2 ASP A 68 13.493 37.995 6.861 1.00 22.43 O +ATOM 254 N VAL A 69 18.788 38.903 8.060 1.00 12.39 N +ATOM 255 CA VAL A 69 19.877 39.360 8.922 1.00 12.04 C +ATOM 256 C VAL A 69 20.883 40.164 8.098 1.00 11.89 C +ATOM 257 O VAL A 69 21.300 41.240 8.503 1.00 11.38 O +ATOM 258 CB VAL A 69 20.552 38.169 9.620 1.00 12.14 C +ATOM 259 CG1 VAL A 69 21.729 38.648 10.453 1.00 13.05 C +ATOM 260 CG2 VAL A 69 19.546 37.392 10.482 1.00 12.83 C +ATOM 261 N GLU A 70 21.265 39.653 6.936 1.00 12.24 N +ATOM 262 CA GLU A 70 22.220 40.355 6.088 1.00 12.98 C +ATOM 263 C GLU A 70 21.687 41.745 5.724 1.00 12.29 C +ATOM 264 O GLU A 70 22.396 42.738 5.784 1.00 12.50 O +ATOM 265 CB AGLU A 70 22.458 39.539 4.833 0.80 14.70 C +ATOM 266 CB BGLU A 70 22.445 39.628 4.756 0.20 12.80 C +ATOM 267 CG AGLU A 70 23.533 39.992 3.920 0.80 17.99 C +ATOM 268 CG BGLU A 70 23.148 38.295 4.817 0.20 12.23 C +ATOM 269 CD AGLU A 70 23.759 38.944 2.853 0.80 22.36 C +ATOM 270 CD BGLU A 70 23.447 37.743 3.425 0.20 12.78 C +ATOM 271 OE1AGLU A 70 24.685 38.127 3.000 0.80 25.29 O +ATOM 272 OE1BGLU A 70 22.510 37.612 2.603 0.20 12.46 O +ATOM 273 OE2AGLU A 70 22.951 38.887 1.906 0.80 26.82 O +ATOM 274 OE2BGLU A 70 24.620 37.423 3.154 0.20 13.68 O +ATOM 275 N HIS A 71 20.431 41.812 5.313 1.00 12.50 N +ATOM 276 CA HIS A 71 19.836 43.088 4.956 1.00 13.22 C +ATOM 277 C HIS A 71 19.793 44.059 6.130 1.00 12.57 C +ATOM 278 O HIS A 71 20.067 45.257 5.962 1.00 12.37 O +ATOM 279 CB HIS A 71 18.431 42.866 4.422 1.00 14.78 C +ATOM 280 CG HIS A 71 17.675 44.129 4.174 1.00 18.35 C +ATOM 281 ND1 HIS A 71 17.987 44.981 3.150 1.00 21.24 N +ATOM 282 CD2 HIS A 71 16.636 44.691 4.834 1.00 20.73 C +ATOM 283 CE1 HIS A 71 17.147 46.006 3.158 1.00 20.38 C +ATOM 284 NE2 HIS A 71 16.326 45.859 4.185 1.00 21.49 N +ATOM 285 N LYS A 72 19.446 43.567 7.314 1.00 11.64 N +ATOM 286 CA LYS A 72 19.399 44.441 8.479 1.00 11.87 C +ATOM 287 C LYS A 72 20.783 44.974 8.801 1.00 11.38 C +ATOM 288 O LYS A 72 20.942 46.139 9.111 1.00 11.93 O +ATOM 289 CB LYS A 72 18.832 43.690 9.671 1.00 11.44 C +ATOM 290 CG LYS A 72 18.563 44.566 10.892 1.00 11.70 C +ATOM 291 CD LYS A 72 17.385 45.511 10.713 1.00 12.24 C +ATOM 292 CE LYS A 72 16.974 46.161 12.023 1.00 12.34 C +ATOM 293 NZ LYS A 72 15.686 46.901 11.872 1.00 12.49 N +ATOM 294 N VAL A 73 21.805 44.125 8.717 1.00 11.48 N +ATOM 295 CA VAL A 73 23.171 44.568 8.964 1.00 11.67 C +ATOM 296 C VAL A 73 23.588 45.653 7.979 1.00 12.45 C +ATOM 297 O VAL A 73 24.096 46.695 8.397 1.00 12.43 O +ATOM 298 CB VAL A 73 24.129 43.374 8.921 1.00 11.60 C +ATOM 299 CG1 VAL A 73 25.586 43.808 8.890 1.00 13.28 C +ATOM 300 CG2 VAL A 73 23.918 42.494 10.168 1.00 12.99 C +ATOM 301 N THR A 74 23.350 45.444 6.697 1.00 12.59 N +ATOM 302 CA THR A 74 23.728 46.436 5.716 1.00 13.30 C +ATOM 303 C THR A 74 23.008 47.771 5.976 1.00 13.86 C +ATOM 304 O THR A 74 23.585 48.855 5.876 1.00 15.19 O +ATOM 305 CB THR A 74 23.437 45.884 4.323 1.00 14.26 C +ATOM 306 OG1 THR A 74 24.222 44.697 4.109 1.00 15.65 O +ATOM 307 CG2 THR A 74 23.760 46.899 3.265 1.00 16.31 C +ATOM 308 N THR A 75 21.736 47.671 6.326 1.00 12.93 N +ATOM 309 CA THR A 75 20.927 48.860 6.576 1.00 13.45 C +ATOM 310 C THR A 75 21.401 49.619 7.820 1.00 13.48 C +ATOM 311 O THR A 75 21.552 50.842 7.806 1.00 15.40 O +ATOM 312 CB THR A 75 19.460 48.420 6.763 1.00 13.81 C +ATOM 313 OG1 THR A 75 18.976 47.806 5.556 1.00 15.58 O +ATOM 314 CG2 THR A 75 18.572 49.577 7.155 1.00 14.41 C +ATOM 315 N VAL A 76 21.624 48.892 8.910 1.00 14.19 N +ATOM 316 CA VAL A 76 22.002 49.518 10.169 1.00 15.38 C +ATOM 317 C VAL A 76 23.409 50.087 10.186 1.00 16.07 C +ATOM 318 O VAL A 76 23.620 51.160 10.743 1.00 17.61 O +ATOM 319 CB VAL A 76 21.852 48.530 11.334 1.00 16.09 C +ATOM 320 CG1 VAL A 76 22.564 49.042 12.613 1.00 16.91 C +ATOM 321 CG2 VAL A 76 20.377 48.228 11.561 1.00 16.02 C +ATOM 322 N PHE A 77 24.368 49.358 9.616 1.00 16.07 N +ATOM 323 CA PHE A 77 25.771 49.733 9.657 1.00 17.64 C +ATOM 324 C PHE A 77 26.190 50.512 8.424 1.00 19.04 C +ATOM 325 O PHE A 77 27.301 51.037 8.387 1.00 21.75 O +ATOM 326 CB PHE A 77 26.637 48.483 9.882 1.00 17.66 C +ATOM 327 CG PHE A 77 26.443 47.888 11.243 1.00 16.26 C +ATOM 328 CD1 PHE A 77 27.116 48.401 12.332 1.00 16.47 C +ATOM 329 CD2 PHE A 77 25.545 46.865 11.461 1.00 15.96 C +ATOM 330 CE1 PHE A 77 26.929 47.884 13.594 1.00 16.82 C +ATOM 331 CE2 PHE A 77 25.351 46.367 12.743 1.00 16.22 C +ATOM 332 CZ PHE A 77 26.041 46.884 13.799 1.00 17.37 C +ATOM 333 N GLY A 78 25.312 50.605 7.427 1.00 20.16 N +ATOM 334 CA GLY A 78 25.580 51.429 6.252 1.00 20.93 C +ATOM 335 C GLY A 78 26.584 50.843 5.287 1.00 20.91 C +ATOM 336 O GLY A 78 27.083 51.544 4.407 1.00 22.52 O +ATOM 337 N GLN A 79 26.882 49.552 5.438 1.00 20.12 N +ATOM 338 CA GLN A 79 27.815 48.845 4.566 1.00 20.33 C +ATOM 339 C GLN A 79 27.597 47.362 4.793 1.00 19.28 C +ATOM 340 O GLN A 79 27.183 46.982 5.894 1.00 18.22 O +ATOM 341 CB GLN A 79 29.260 49.214 4.905 1.00 21.11 C +ATOM 342 CG GLN A 79 29.655 48.955 6.361 1.00 22.45 C +ATOM 343 CD GLN A 79 31.094 49.335 6.675 1.00 23.38 C +ATOM 344 OE1 GLN A 79 32.014 49.000 5.929 1.00 27.57 O +ATOM 345 NE2 GLN A 79 31.292 50.026 7.790 1.00 26.01 N +ATOM 346 N PRO A 80 27.875 46.531 3.774 1.00 19.35 N +ATOM 347 CA PRO A 80 27.779 45.083 4.002 1.00 18.84 C +ATOM 348 C PRO A 80 28.912 44.616 4.884 1.00 17.98 C +ATOM 349 O PRO A 80 30.052 45.069 4.743 1.00 19.42 O +ATOM 350 CB PRO A 80 27.922 44.479 2.606 1.00 19.53 C +ATOM 351 CG PRO A 80 28.516 45.557 1.757 1.00 20.96 C +ATOM 352 CD PRO A 80 28.253 46.871 2.386 1.00 20.08 C +ATOM 353 N LEU A 81 28.593 43.704 5.786 1.00 15.87 N +ATOM 354 CA LEU A 81 29.572 43.125 6.708 1.00 15.27 C +ATOM 355 C LEU A 81 29.339 41.647 6.838 1.00 15.26 C +ATOM 356 O LEU A 81 28.194 41.205 6.943 1.00 16.72 O +ATOM 357 CB LEU A 81 29.429 43.787 8.077 1.00 15.25 C +ATOM 358 CG LEU A 81 29.724 45.293 8.091 1.00 16.10 C +ATOM 359 CD1 LEU A 81 29.304 45.923 9.404 1.00 15.53 C +ATOM 360 CD2 LEU A 81 31.209 45.524 7.859 1.00 17.44 C +ATOM 361 N ASP A 82 30.420 40.874 6.895 1.00 14.93 N +ATOM 362 CA ASP A 82 30.321 39.432 7.062 1.00 14.98 C +ATOM 363 C ASP A 82 29.958 39.085 8.500 1.00 13.41 C +ATOM 364 O ASP A 82 30.416 39.741 9.417 1.00 13.77 O +ATOM 365 CB ASP A 82 31.666 38.781 6.745 1.00 16.26 C +ATOM 366 CG ASP A 82 32.047 38.867 5.282 1.00 19.86 C +ATOM 367 OD1 ASP A 82 31.150 38.945 4.422 1.00 22.68 O +ATOM 368 OD2 ASP A 82 33.265 38.797 4.991 1.00 25.00 O +ATOM 369 N LEU A 83 29.158 38.037 8.660 1.00 13.06 N +ATOM 370 CA LEU A 83 28.696 37.561 9.963 1.00 13.03 C +ATOM 371 C LEU A 83 29.587 36.430 10.477 1.00 12.90 C +ATOM 372 O LEU A 83 29.674 35.388 9.859 1.00 13.16 O +ATOM 373 CB LEU A 83 27.292 36.969 9.859 1.00 14.04 C +ATOM 374 CG LEU A 83 26.225 37.769 9.132 1.00 16.16 C +ATOM 375 CD1 LEU A 83 25.014 36.891 8.840 1.00 17.79 C +ATOM 376 CD2 LEU A 83 25.845 38.990 9.935 1.00 18.11 C +ATOM 377 N HIS A 84 30.204 36.631 11.622 1.00 12.92 N +ATOM 378 CA HIS A 84 31.010 35.592 12.234 1.00 13.19 C +ATOM 379 C HIS A 84 30.445 35.253 13.611 1.00 12.64 C +ATOM 380 O HIS A 84 30.468 36.088 14.500 1.00 14.11 O +ATOM 381 CB HIS A 84 32.454 36.070 12.363 1.00 13.66 C +ATOM 382 CG HIS A 84 33.138 36.363 11.062 1.00 15.03 C +ATOM 383 ND1 HIS A 84 34.051 35.501 10.487 1.00 14.51 N +ATOM 384 CD2 HIS A 84 33.062 37.438 10.238 1.00 15.71 C +ATOM 385 CE1 HIS A 84 34.482 36.021 9.350 1.00 15.49 C +ATOM 386 NE2 HIS A 84 33.900 37.200 9.176 1.00 16.54 N +ATOM 387 N TYR A 85 29.912 34.055 13.778 1.00 12.12 N +ATOM 388 CA TYR A 85 29.492 33.590 15.094 1.00 11.69 C +ATOM 389 C TYR A 85 30.728 33.514 15.944 1.00 11.56 C +ATOM 390 O TYR A 85 31.715 32.968 15.518 1.00 12.37 O +ATOM 391 CB TYR A 85 28.809 32.183 15.043 1.00 13.55 C +ATOM 392 CG TYR A 85 28.676 31.580 16.444 1.00 15.38 C +ATOM 393 CD1 TYR A 85 27.692 32.047 17.324 1.00 14.23 C +ATOM 394 CD2 TYR A 85 29.618 30.647 16.938 1.00 18.35 C +ATOM 395 CE1 TYR A 85 27.609 31.555 18.627 1.00 16.38 C +ATOM 396 CE2 TYR A 85 29.540 30.152 18.256 1.00 18.98 C +ATOM 397 CZ TYR A 85 28.548 30.624 19.085 1.00 17.13 C +ATOM 398 OH TYR A 85 28.475 30.154 20.380 1.00 18.82 O +ATOM 415 N ASN A 87 32.467 32.776 19.960 1.00 14.71 N +ATOM 416 CA ASN A 87 32.501 32.588 21.393 1.00 16.83 C +ATOM 417 C ASN A 87 33.814 33.142 21.936 1.00 18.27 C +ATOM 418 O ASN A 87 34.486 33.890 21.265 1.00 19.24 O +ATOM 419 CB ASN A 87 32.167 31.135 21.762 1.00 17.65 C +ATOM 420 CG ASN A 87 33.185 30.136 21.282 1.00 16.82 C +ATOM 421 OD1 ASN A 87 34.374 30.425 21.205 1.00 18.94 O +ATOM 422 ND2 ASN A 87 32.722 28.910 20.989 1.00 20.36 N +ATOM 423 N ASN A 88 34.194 32.811 23.153 1.00 20.34 N +ATOM 424 CA ASN A 88 35.409 33.415 23.694 1.00 21.92 C +ATOM 425 C ASN A 88 36.692 32.956 23.012 1.00 22.22 C +ATOM 426 O ASN A 88 37.723 33.663 23.078 1.00 24.52 O +ATOM 427 CB ASN A 88 35.470 33.177 25.207 1.00 23.36 C +ATOM 428 CG ASN A 88 34.381 33.913 25.945 1.00 26.20 C +ATOM 429 OD1 ASN A 88 34.068 35.061 25.621 1.00 26.68 O +ATOM 430 ND2 ASN A 88 33.816 33.274 26.969 1.00 30.90 N +ATOM 431 N GLU A 89 36.639 31.794 22.363 1.00 20.55 N +ATOM 432 CA GLU A 89 37.826 31.207 21.745 1.00 20.23 C +ATOM 433 C GLU A 89 37.782 31.096 20.224 1.00 17.34 C +ATOM 434 O GLU A 89 38.819 31.134 19.609 1.00 17.73 O +ATOM 435 CB GLU A 89 38.065 29.819 22.309 1.00 21.50 C +ATOM 436 CG GLU A 89 38.075 29.762 23.830 1.00 26.31 C +ATOM 437 CD GLU A 89 39.437 29.562 24.392 1.00 28.45 C +ATOM 438 OE1 GLU A 89 40.070 28.544 24.052 1.00 35.91 O +ATOM 439 OE2 GLU A 89 39.874 30.421 25.187 1.00 36.80 O +ATOM 440 N LEU A 90 36.607 30.909 19.628 1.00 15.07 N +ATOM 441 CA LEU A 90 36.494 30.559 18.212 1.00 15.10 C +ATOM 442 C LEU A 90 35.522 31.513 17.535 1.00 13.66 C +ATOM 443 O LEU A 90 34.586 32.004 18.154 1.00 15.25 O +ATOM 444 CB LEU A 90 35.952 29.133 18.064 1.00 17.52 C +ATOM 445 CG LEU A 90 36.785 28.023 18.668 1.00 22.04 C +ATOM 446 CD1 LEU A 90 36.031 26.706 18.513 1.00 24.81 C +ATOM 447 CD2 LEU A 90 38.154 27.984 18.027 1.00 23.44 C +ATOM 448 N SER A 91 35.731 31.764 16.247 1.00 12.01 N +ATOM 449 CA SER A 91 34.679 32.340 15.443 1.00 12.34 C +ATOM 450 C SER A 91 34.539 31.563 14.149 1.00 11.69 C +ATOM 451 O SER A 91 35.493 30.956 13.668 1.00 11.97 O +ATOM 452 CB SER A 91 34.849 33.830 15.162 1.00 13.34 C +ATOM 453 OG SER A 91 35.823 34.085 14.172 1.00 15.46 O +ATOM 454 N ILE A 92 33.337 31.619 13.574 1.00 10.97 N +ATOM 455 CA ILE A 92 33.025 30.892 12.365 1.00 12.64 C +ATOM 456 C ILE A 92 32.148 31.760 11.480 1.00 10.24 C +ATOM 457 O ILE A 92 31.120 32.240 11.911 1.00 11.15 O +ATOM 458 CB ILE A 92 32.287 29.561 12.722 1.00 14.48 C +ATOM 459 CG1 ILE A 92 33.046 28.703 13.762 1.00 18.12 C +ATOM 460 CG2 ILE A 92 31.995 28.786 11.444 1.00 17.83 C +ATOM 461 CD1 ILE A 92 32.205 27.646 14.418 1.00 18.85 C +ATOM 462 N LEU A 93 32.550 31.913 10.225 1.00 10.47 N +ATOM 463 CA LEU A 93 31.770 32.659 9.261 1.00 11.62 C +ATOM 464 C LEU A 93 30.459 31.951 9.009 1.00 11.82 C +ATOM 465 O LEU A 93 30.430 30.762 8.730 1.00 13.22 O +ATOM 466 CB LEU A 93 32.562 32.740 7.947 1.00 12.68 C +ATOM 467 CG LEU A 93 31.904 33.436 6.769 1.00 14.33 C +ATOM 468 CD1 LEU A 93 31.785 34.910 6.965 1.00 16.76 C +ATOM 469 CD2 LEU A 93 32.662 33.164 5.496 1.00 15.29 C +ATOM 470 N LEU A 94 29.369 32.706 9.044 1.00 10.70 N +ATOM 471 CA LEU A 94 28.041 32.182 8.697 1.00 11.34 C +ATOM 472 C LEU A 94 27.747 32.544 7.247 1.00 11.73 C +ATOM 473 O LEU A 94 27.589 33.724 6.914 1.00 12.71 O +ATOM 474 CB LEU A 94 26.980 32.758 9.630 1.00 11.56 C +ATOM 475 CG LEU A 94 27.236 32.550 11.124 1.00 10.68 C +ATOM 476 CD1 LEU A 94 26.106 33.156 11.914 1.00 12.47 C +ATOM 477 CD2 LEU A 94 27.438 31.111 11.496 1.00 12.68 C +ATOM 478 N LYS A 95 27.699 31.517 6.396 1.00 12.34 N +ATOM 479 CA LYS A 95 27.682 31.695 4.954 1.00 13.62 C +ATOM 480 C LYS A 95 26.289 31.605 4.362 1.00 13.03 C +ATOM 481 O LYS A 95 26.063 32.039 3.225 1.00 13.21 O +ATOM 482 CB LYS A 95 28.553 30.623 4.275 1.00 14.31 C +ATOM 483 CG LYS A 95 29.962 30.573 4.777 1.00 16.40 C +ATOM 484 CD LYS A 95 30.805 29.454 4.210 1.00 18.01 C +ATOM 485 CE LYS A 95 30.336 28.078 4.588 1.00 21.19 C +ATOM 486 NZ LYS A 95 30.306 27.809 6.041 1.00 23.38 N +ATOM 487 N ASN A 96 25.354 31.018 5.104 1.00 11.79 N +ATOM 488 CA ASN A 96 24.060 30.667 4.541 1.00 12.31 C +ATOM 489 C ASN A 96 23.076 30.343 5.667 1.00 11.84 C +ATOM 490 O ASN A 96 23.429 30.338 6.847 1.00 11.19 O +ATOM 491 CB ASN A 96 24.217 29.490 3.561 1.00 12.84 C +ATOM 492 CG ASN A 96 24.892 28.302 4.186 1.00 13.36 C +ATOM 493 OD1 ASN A 96 24.638 27.973 5.333 1.00 15.35 O +ATOM 494 ND2 ASN A 96 25.821 27.686 3.452 1.00 19.22 N +ATOM 495 N GLN A 97 21.848 30.049 5.278 1.00 12.08 N +ATOM 496 CA GLN A 97 20.788 29.716 6.213 1.00 12.41 C +ATOM 497 C GLN A 97 21.150 28.540 7.109 1.00 12.62 C +ATOM 498 O GLN A 97 20.852 28.545 8.303 1.00 12.86 O +ATOM 499 CB GLN A 97 19.495 29.412 5.443 1.00 13.10 C +ATOM 500 CG GLN A 97 18.313 29.237 6.334 1.00 12.55 C +ATOM 501 CD GLN A 97 17.893 30.526 7.003 1.00 12.96 C +ATOM 502 OE1 GLN A 97 17.694 31.533 6.330 1.00 15.37 O +ATOM 503 NE2 GLN A 97 17.787 30.522 8.329 1.00 14.54 N +ATOM 504 N ASP A 98 21.767 27.507 6.551 1.00 13.17 N +ATOM 505 CA ASP A 98 22.105 26.324 7.356 1.00 14.45 C +ATOM 506 C ASP A 98 23.077 26.688 8.465 1.00 13.12 C +ATOM 507 O ASP A 98 22.929 26.246 9.602 1.00 13.06 O +ATOM 508 CB ASP A 98 22.705 25.206 6.470 1.00 16.41 C +ATOM 509 CG ASP A 98 21.682 24.516 5.589 1.00 21.96 C +ATOM 510 OD1 ASP A 98 20.462 24.605 5.836 1.00 26.75 O +ATOM 511 OD2 ASP A 98 22.120 23.859 4.624 1.00 30.97 O +ATOM 512 N ASP A 99 24.086 27.493 8.138 1.00 11.57 N +ATOM 513 CA ASP A 99 25.038 27.922 9.164 1.00 11.91 C +ATOM 514 C ASP A 99 24.331 28.741 10.239 1.00 10.77 C +ATOM 515 O ASP A 99 24.580 28.576 11.422 1.00 10.38 O +ATOM 516 CB ASP A 99 26.158 28.793 8.567 1.00 11.92 C +ATOM 517 CG ASP A 99 27.123 28.055 7.643 1.00 13.92 C +ATOM 518 OD1 ASP A 99 27.180 26.805 7.633 1.00 17.42 O +ATOM 519 OD2 ASP A 99 27.879 28.801 6.961 1.00 15.87 O +ATOM 520 N LEU A 100 23.477 29.660 9.824 1.00 10.28 N +ATOM 521 CA LEU A 100 22.748 30.494 10.779 1.00 9.94 C +ATOM 522 C LEU A 100 21.848 29.642 11.686 1.00 9.58 C +ATOM 523 O LEU A 100 21.794 29.837 12.903 1.00 9.66 O +ATOM 524 CB LEU A 100 21.929 31.564 10.064 1.00 10.43 C +ATOM 525 CG LEU A 100 21.067 32.462 10.955 1.00 11.28 C +ATOM 526 CD1 LEU A 100 21.893 33.267 11.979 1.00 12.89 C +ATOM 527 CD2 LEU A 100 20.256 33.395 10.106 1.00 12.93 C +ATOM 528 N ASP A 101 21.162 28.664 11.088 1.00 10.92 N +ATOM 529 CA ASP A 101 20.294 27.781 11.880 1.00 11.17 C +ATOM 530 C ASP A 101 21.097 27.017 12.938 1.00 10.48 C +ATOM 531 O ASP A 101 20.651 26.845 14.082 1.00 10.74 O +ATOM 532 CB ASP A 101 19.548 26.775 10.988 1.00 12.21 C +ATOM 533 CG ASP A 101 18.562 27.416 10.055 1.00 16.06 C +ATOM 534 OD1 ASP A 101 18.127 28.546 10.319 1.00 17.10 O +ATOM 535 OD2 ASP A 101 18.193 26.755 9.059 1.00 19.35 O +ATOM 536 N LYS A 102 22.300 26.570 12.586 1.00 10.95 N +ATOM 537 CA LYS A 102 23.145 25.850 13.538 1.00 11.70 C +ATOM 538 C LYS A 102 23.634 26.773 14.635 1.00 10.78 C +ATOM 539 O LYS A 102 23.698 26.358 15.793 1.00 11.78 O +ATOM 540 CB LYS A 102 24.320 25.190 12.798 1.00 13.03 C +ATOM 541 CG LYS A 102 23.887 23.964 12.002 1.00 15.92 C +ATOM 542 CD LYS A 102 23.460 22.849 12.936 1.00 20.89 C +ATOM 543 N ALA A 103 23.922 28.027 14.316 1.00 9.82 N +ATOM 544 CA ALA A 103 24.321 28.973 15.347 1.00 10.50 C +ATOM 545 C ALA A 103 23.171 29.281 16.305 1.00 10.56 C +ATOM 546 O ALA A 103 23.362 29.289 17.525 1.00 10.75 O +ATOM 547 CB ALA A 103 24.858 30.226 14.706 1.00 10.83 C +ATOM 548 N ILE A 104 21.963 29.448 15.765 1.00 10.40 N +ATOM 549 CA ILE A 104 20.798 29.669 16.600 1.00 11.21 C +ATOM 550 C ILE A 104 20.533 28.451 17.478 1.00 11.13 C +ATOM 551 O ILE A 104 20.066 28.585 18.624 1.00 12.32 O +ATOM 552 CB ILE A 104 19.579 30.103 15.760 1.00 10.84 C +ATOM 553 CG1 ILE A 104 19.815 31.521 15.203 1.00 12.91 C +ATOM 554 CG2 ILE A 104 18.303 30.027 16.595 1.00 12.31 C +ATOM 555 CD1 ILE A 104 18.844 31.990 14.130 1.00 14.17 C +ATOM 556 N ASP A 105 20.832 27.265 16.969 1.00 11.63 N +ATOM 557 CA ASP A 105 20.655 26.096 17.787 1.00 12.45 C +ATOM 558 C ASP A 105 21.607 26.041 18.967 1.00 12.76 C +ATOM 559 O ASP A 105 21.239 25.541 20.016 1.00 13.46 O +ATOM 560 CB ASP A 105 20.700 24.808 17.004 1.00 13.22 C +ATOM 561 CG ASP A 105 20.015 23.675 17.768 1.00 16.47 C +ATOM 562 OD1 ASP A 105 18.892 23.886 18.305 1.00 19.69 O +ATOM 563 OD2 ASP A 105 20.601 22.593 17.884 1.00 21.50 O +ATOM 564 N ILE A 106 22.825 26.569 18.820 1.00 12.50 N +ATOM 565 CA ILE A 106 23.724 26.695 19.972 1.00 13.38 C +ATOM 566 C ILE A 106 23.084 27.556 21.044 1.00 13.27 C +ATOM 567 O ILE A 106 23.028 27.192 22.231 1.00 13.90 O +ATOM 568 CB ILE A 106 25.080 27.275 19.588 1.00 14.66 C +ATOM 569 CG1 ILE A 106 25.783 26.350 18.619 1.00 15.60 C +ATOM 570 CG2 ILE A 106 25.942 27.514 20.831 1.00 16.59 C +ATOM 571 CD1 ILE A 106 27.061 26.992 18.037 1.00 17.47 C +ATOM 572 N LEU A 107 22.598 28.709 20.626 1.00 12.62 N +ATOM 573 CA LEU A 107 21.872 29.619 21.494 1.00 13.16 C +ATOM 574 C LEU A 107 20.728 28.902 22.211 1.00 12.62 C +ATOM 575 O LEU A 107 20.588 28.971 23.432 1.00 13.58 O +ATOM 576 CB LEU A 107 21.328 30.791 20.676 1.00 12.94 C +ATOM 577 CG LEU A 107 20.334 31.702 21.369 1.00 13.10 C +ATOM 578 CD1 LEU A 107 20.947 32.502 22.491 1.00 14.95 C +ATOM 579 CD2 LEU A 107 19.658 32.610 20.375 1.00 14.74 C +ATOM 580 N ASP A 108 19.924 28.174 21.462 1.00 12.59 N +ATOM 581 CA ASP A 108 18.752 27.545 22.038 1.00 14.21 C +ATOM 582 C ASP A 108 19.080 26.394 22.974 1.00 14.20 C +ATOM 583 O ASP A 108 18.335 26.135 23.933 1.00 16.05 O +ATOM 584 CB ASP A 108 17.807 27.069 20.944 1.00 14.06 C +ATOM 585 CG ASP A 108 17.151 28.212 20.186 1.00 13.72 C +ATOM 586 OD1 ASP A 108 17.153 29.374 20.688 1.00 14.45 O +ATOM 587 OD2 ASP A 108 16.641 27.951 19.065 1.00 14.07 O +ATOM 588 N ARG A 109 20.181 25.703 22.733 1.00 14.84 N +ATOM 589 CA ARG A 109 20.591 24.613 23.610 1.00 16.76 C +ATOM 590 C ARG A 109 21.269 25.077 24.881 1.00 17.64 C +ATOM 591 O ARG A 109 21.387 24.303 25.830 1.00 20.48 O +ATOM 592 CB ARG A 109 21.486 23.626 22.882 1.00 17.22 C +ATOM 593 CG ARG A 109 20.722 22.837 21.871 1.00 19.81 C +ATOM 594 CD ARG A 109 21.645 21.991 21.024 1.00 25.26 C +ATOM 595 NE ARG A 109 20.862 21.079 20.202 1.00 27.52 N +ATOM 596 CZ ARG A 109 20.505 19.851 20.561 1.00 29.31 C +ATOM 597 NH1 ARG A 109 20.836 19.355 21.751 1.00 30.27 N +ATOM 598 NH2 ARG A 109 19.789 19.124 19.718 1.00 29.92 N +ATOM 599 N SER A 110 21.712 26.327 24.927 1.00 16.80 N +ATOM 600 CA SER A 110 22.422 26.833 26.097 1.00 18.26 C +ATOM 601 C SER A 110 21.469 27.505 27.063 1.00 18.47 C +ATOM 602 O SER A 110 20.746 28.418 26.694 1.00 19.41 O +ATOM 603 CB SER A 110 23.467 27.854 25.677 1.00 18.10 C +ATOM 604 OG SER A 110 23.948 28.527 26.833 1.00 19.38 O +ATOM 605 N SER A 111 21.499 27.104 28.326 1.00 19.46 N +ATOM 606 CA SER A 111 20.669 27.777 29.333 1.00 20.16 C +ATOM 607 C SER A 111 21.158 29.188 29.685 1.00 18.73 C +ATOM 608 O SER A 111 20.362 30.068 30.014 1.00 20.61 O +ATOM 609 CB SER A 111 20.549 26.950 30.622 1.00 21.55 C +ATOM 610 OG SER A 111 21.809 26.543 31.090 1.00 25.18 O +ATOM 611 N SER A 112 22.457 29.422 29.577 1.00 18.10 N +ATOM 612 CA SER A 112 23.009 30.708 29.971 1.00 18.60 C +ATOM 613 C SER A 112 23.065 31.743 28.874 1.00 17.85 C +ATOM 614 O SER A 112 23.060 32.938 29.181 1.00 19.02 O +ATOM 615 CB SER A 112 24.415 30.523 30.530 1.00 19.66 C +ATOM 616 OG SER A 112 25.207 29.826 29.607 1.00 23.37 O +ATOM 629 N LYS A 114 21.844 34.196 26.231 1.00 15.05 N +ATOM 630 CA LYS A 114 20.610 34.945 26.049 1.00 15.03 C +ATOM 631 C LYS A 114 20.608 35.775 24.755 1.00 14.55 C +ATOM 632 O LYS A 114 19.569 36.347 24.371 1.00 14.89 O +ATOM 633 CB LYS A 114 20.326 35.837 27.269 1.00 16.56 C +ATOM 634 CG LYS A 114 20.249 35.106 28.629 1.00 18.91 C +ATOM 635 CD LYS A 114 19.114 34.136 28.671 1.00 18.90 C +ATOM 636 CE LYS A 114 18.971 33.443 30.045 1.00 18.65 C +ATOM 637 NZ LYS A 114 18.474 34.281 31.187 1.00 17.86 N +ATOM 638 N SER A 115 21.765 35.837 24.097 1.00 13.86 N +ATOM 639 CA SER A 115 21.861 36.461 22.791 1.00 13.15 C +ATOM 640 C SER A 115 22.917 35.740 21.969 1.00 12.68 C +ATOM 641 O SER A 115 23.797 35.049 22.512 1.00 14.34 O +ATOM 642 CB SER A 115 22.173 37.954 22.905 1.00 14.52 C +ATOM 643 OG SER A 115 23.411 38.186 23.510 1.00 16.95 O +ATOM 644 N LEU A 116 22.807 35.877 20.665 1.00 12.22 N +ATOM 645 CA LEU A 116 23.710 35.261 19.734 1.00 12.58 C +ATOM 646 C LEU A 116 24.834 36.243 19.409 1.00 12.87 C +ATOM 647 O LEU A 116 24.572 37.297 18.850 1.00 12.55 O +ATOM 648 CB LEU A 116 22.962 34.874 18.466 1.00 13.65 C +ATOM 649 CG LEU A 116 23.787 34.042 17.496 1.00 14.23 C +ATOM 650 CD1 LEU A 116 24.058 32.657 18.074 1.00 16.19 C +ATOM 651 CD2 LEU A 116 23.087 33.961 16.161 1.00 15.63 C +ATOM 652 N ARG A 117 26.074 35.900 19.753 1.00 13.21 N +ATOM 653 CA ARG A 117 27.205 36.802 19.531 1.00 14.45 C +ATOM 654 C ARG A 117 27.688 36.715 18.086 1.00 12.72 C +ATOM 655 O ARG A 117 28.195 35.669 17.666 1.00 12.62 O +ATOM 656 CB AARG A 117 28.377 36.473 20.469 0.50 15.48 C +ATOM 657 CB BARG A 117 28.323 36.441 20.520 0.50 15.53 C +ATOM 658 CG AARG A 117 28.146 36.859 21.920 0.50 17.88 C +ATOM 659 CG BARG A 117 29.580 37.274 20.416 0.50 17.88 C +ATOM 660 CD AARG A 117 29.274 36.386 22.833 0.50 18.46 C +ATOM 661 CD BARG A 117 30.218 37.568 21.779 0.50 20.92 C +ATOM 662 NE AARG A 117 30.553 37.072 22.602 0.50 21.80 N +ATOM 663 NE BARG A 117 30.393 36.394 22.633 0.50 24.36 N +ATOM 664 CZ AARG A 117 31.734 36.643 23.057 0.50 22.95 C +ATOM 665 CZ BARG A 117 31.549 35.967 23.156 0.50 23.87 C +ATOM 666 NH1AARG A 117 31.827 35.509 23.748 0.50 22.82 N +ATOM 667 NH1BARG A 117 32.702 36.592 22.936 0.50 23.49 N +ATOM 668 NH2AARG A 117 32.838 37.332 22.801 0.50 22.80 N +ATOM 669 NH2BARG A 117 31.544 34.882 23.918 0.50 22.18 N +ATOM 670 N ILE A 118 27.615 37.817 17.360 1.00 11.62 N +ATOM 671 CA ILE A 118 28.075 37.903 15.988 1.00 12.44 C +ATOM 672 C ILE A 118 29.078 39.035 15.833 1.00 12.62 C +ATOM 673 O ILE A 118 28.754 40.195 16.110 1.00 14.29 O +ATOM 674 CB ILE A 118 26.894 38.128 15.013 1.00 12.58 C +ATOM 675 CG1AILE A 118 25.873 36.995 15.087 0.50 12.49 C +ATOM 676 CG1BILE A 118 25.962 36.896 15.060 0.50 13.81 C +ATOM 677 CG2 ILE A 118 27.424 38.389 13.606 1.00 13.27 C +ATOM 678 CD1AILE A 118 26.361 35.693 14.594 0.50 10.68 C +ATOM 679 CD1BILE A 118 24.953 36.715 13.879 0.50 14.43 C +ATOM 680 N LEU A 119 30.290 38.683 15.415 1.00 11.89 N +ATOM 681 CA LEU A 119 31.324 39.650 15.083 1.00 12.73 C +ATOM 682 C LEU A 119 31.155 40.024 13.615 1.00 11.87 C +ATOM 683 O LEU A 119 31.058 39.142 12.757 1.00 12.79 O +ATOM 684 CB LEU A 119 32.692 39.009 15.306 1.00 13.49 C +ATOM 685 CG LEU A 119 33.878 39.838 14.850 1.00 14.76 C +ATOM 686 CD1 LEU A 119 34.034 41.095 15.670 1.00 15.43 C +ATOM 687 CD2 LEU A 119 35.135 38.995 14.993 1.00 17.10 C +ATOM 688 N LEU A 120 31.076 41.325 13.324 1.00 11.66 N +ATOM 689 CA LEU A 120 30.945 41.823 11.964 1.00 11.59 C +ATOM 690 C LEU A 120 32.298 42.299 11.458 1.00 12.60 C +ATOM 691 O LEU A 120 32.977 43.102 12.117 1.00 14.44 O +ATOM 692 CB LEU A 120 29.969 42.995 11.962 1.00 11.71 C +ATOM 693 CG LEU A 120 28.537 42.609 12.356 1.00 11.78 C +ATOM 694 CD1 LEU A 120 27.681 43.854 12.443 1.00 12.04 C +ATOM 695 CD2 LEU A 120 27.912 41.641 11.388 1.00 10.92 C +ATOM 696 N LEU A 121 32.683 41.798 10.300 1.00 13.45 N +ATOM 697 CA LEU A 121 33.952 42.182 9.677 1.00 15.36 C +ATOM 698 C LEU A 121 33.725 42.571 8.235 1.00 17.77 C +ATOM 699 O LEU A 121 32.951 41.923 7.526 1.00 17.87 O +ATOM 700 CB LEU A 121 34.948 41.018 9.739 1.00 15.63 C +ATOM 701 CG LEU A 121 35.451 40.631 11.138 1.00 16.20 C +ATOM 702 CD1 LEU A 121 36.303 39.367 11.083 1.00 18.72 C +ATOM 703 CD2 LEU A 121 36.189 41.781 11.813 1.00 17.53 C +ATOM 704 N SER A 122 34.402 43.629 7.797 1.00 20.49 N +ATOM 705 CA SER A 122 34.335 44.047 6.403 1.00 22.73 C +ATOM 706 C SER A 122 35.216 43.094 5.632 1.00 23.88 C +ATOM 707 O SER A 122 36.364 42.838 6.041 1.00 25.05 O +ATOM 708 CB SER A 122 34.807 45.494 6.240 1.00 24.13 C +ATOM 709 OG SER A 122 34.476 45.994 4.954 1.00 27.72 O Added: SwiftApps/modFTdock/input/2cq7-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2cq7-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2cq7-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,660 @@ +ATOM 1 N GLY A 1 -11.642 -13.062 17.137 1.00 0.00 N +ATOM 2 CA GLY A 1 -10.894 -13.062 15.891 1.00 0.00 C +ATOM 3 C GLY A 1 -10.087 -11.771 15.736 1.00 0.00 C +ATOM 4 O GLY A 1 -10.650 -10.712 15.465 1.00 0.00 O +ATOM 5 H1 GLY A 1 -11.083 -13.062 17.966 1.00 0.00 H +ATOM 6 HA2 GLY A 1 -10.222 -13.920 15.866 1.00 0.00 H +ATOM 7 HA3 GLY A 1 -11.580 -13.169 15.051 1.00 0.00 H +ATOM 8 N SER A 2 -8.781 -11.902 15.916 1.00 0.00 N +ATOM 9 CA SER A 2 -7.891 -10.760 15.800 1.00 0.00 C +ATOM 10 C SER A 2 -7.377 -10.641 14.363 1.00 0.00 C +ATOM 11 O SER A 2 -7.469 -9.576 13.754 1.00 0.00 O +ATOM 12 CB SER A 2 -6.717 -10.874 16.775 1.00 0.00 C +ATOM 13 OG SER A 2 -6.050 -12.128 16.663 1.00 0.00 O +ATOM 14 H SER A 2 -8.331 -12.768 16.137 1.00 0.00 H +ATOM 15 HA SER A 2 -8.498 -9.893 16.062 1.00 0.00 H +ATOM 16 HB2 SER A 2 -6.009 -10.068 16.585 1.00 0.00 H +ATOM 17 HB3 SER A 2 -7.080 -10.746 17.795 1.00 0.00 H +ATOM 18 HG SER A 2 -5.526 -12.161 15.812 1.00 0.00 H +ATOM 19 N SER A 3 -6.848 -11.748 13.864 1.00 0.00 N +ATOM 20 CA SER A 3 -6.320 -11.781 12.511 1.00 0.00 C +ATOM 21 C SER A 3 -7.454 -12.018 11.512 1.00 0.00 C +ATOM 22 O SER A 3 -7.907 -13.149 11.339 1.00 0.00 O +ATOM 23 CB SER A 3 -5.248 -12.863 12.364 1.00 0.00 C +ATOM 24 OG SER A 3 -4.045 -12.519 13.046 1.00 0.00 O +ATOM 25 H SER A 3 -6.778 -12.610 14.366 1.00 0.00 H +ATOM 26 HA SER A 3 -5.870 -10.801 12.353 1.00 0.00 H +ATOM 27 HB2 SER A 3 -5.630 -13.806 12.755 1.00 0.00 H +ATOM 28 HB3 SER A 3 -5.034 -13.020 11.307 1.00 0.00 H +ATOM 29 HG SER A 3 -4.075 -11.560 13.329 1.00 0.00 H +ATOM 30 N GLY A 4 -7.881 -10.934 10.880 1.00 0.00 N +ATOM 31 CA GLY A 4 -8.954 -11.011 9.903 1.00 0.00 C +ATOM 32 C GLY A 4 -8.841 -9.883 8.876 1.00 0.00 C +ATOM 33 O GLY A 4 -7.991 -9.003 9.005 1.00 0.00 O +ATOM 34 H GLY A 4 -7.507 -10.019 11.027 1.00 0.00 H +ATOM 35 HA2 GLY A 4 -8.920 -11.975 9.396 1.00 0.00 H +ATOM 36 HA3 GLY A 4 -9.917 -10.951 10.410 1.00 0.00 H +ATOM 37 N SER A 5 -9.710 -9.945 7.878 1.00 0.00 N +ATOM 38 CA SER A 5 -9.719 -8.940 6.829 1.00 0.00 C +ATOM 39 C SER A 5 -10.695 -7.818 7.187 1.00 0.00 C +ATOM 40 O SER A 5 -11.909 -8.013 7.157 1.00 0.00 O +ATOM 41 CB SER A 5 -10.090 -9.556 5.479 1.00 0.00 C +ATOM 42 OG SER A 5 -11.433 -10.032 5.461 1.00 0.00 O +ATOM 43 H SER A 5 -10.398 -10.664 7.780 1.00 0.00 H +ATOM 44 HA SER A 5 -8.698 -8.560 6.785 1.00 0.00 H +ATOM 45 HB2 SER A 5 -9.959 -8.813 4.692 1.00 0.00 H +ATOM 46 HB3 SER A 5 -9.411 -10.379 5.256 1.00 0.00 H +ATOM 47 HG SER A 5 -11.924 -9.703 6.268 1.00 0.00 H +ATOM 48 N SER A 6 -10.128 -6.667 7.519 1.00 0.00 N +ATOM 49 CA SER A 6 -10.934 -5.514 7.882 1.00 0.00 C +ATOM 50 C SER A 6 -10.400 -4.261 7.184 1.00 0.00 C +ATOM 51 O SER A 6 -9.190 -4.100 7.032 1.00 0.00 O +ATOM 52 CB SER A 6 -10.951 -5.310 9.399 1.00 0.00 C +ATOM 53 OG SER A 6 -11.695 -4.154 9.774 1.00 0.00 O +ATOM 54 H SER A 6 -9.140 -6.516 7.541 1.00 0.00 H +ATOM 55 HA SER A 6 -11.941 -5.744 7.536 1.00 0.00 H +ATOM 56 HB2 SER A 6 -11.381 -6.189 9.878 1.00 0.00 H +ATOM 57 HB3 SER A 6 -9.928 -5.217 9.763 1.00 0.00 H +ATOM 58 HG SER A 6 -12.306 -3.885 9.030 1.00 0.00 H +ATOM 59 N GLY A 7 -11.328 -3.407 6.779 1.00 0.00 N +ATOM 60 CA GLY A 7 -10.966 -2.175 6.101 1.00 0.00 C +ATOM 61 C GLY A 7 -10.090 -2.458 4.878 1.00 0.00 C +ATOM 62 O GLY A 7 -8.876 -2.608 5.001 1.00 0.00 O +ATOM 63 H GLY A 7 -12.310 -3.546 6.907 1.00 0.00 H +ATOM 64 HA2 GLY A 7 -11.868 -1.647 5.792 1.00 0.00 H +ATOM 65 HA3 GLY A 7 -10.433 -1.519 6.790 1.00 0.00 H +ATOM 66 N SER A 8 -10.742 -2.523 3.726 1.00 0.00 N +ATOM 67 CA SER A 8 -10.038 -2.786 2.482 1.00 0.00 C +ATOM 68 C SER A 8 -10.756 -2.099 1.319 1.00 0.00 C +ATOM 69 O SER A 8 -11.973 -2.212 1.183 1.00 0.00 O +ATOM 70 CB SER A 8 -9.923 -4.289 2.222 1.00 0.00 C +ATOM 71 OG SER A 8 -8.569 -4.733 2.249 1.00 0.00 O +ATOM 72 H SER A 8 -11.730 -2.400 3.635 1.00 0.00 H +ATOM 73 HA SER A 8 -9.042 -2.364 2.620 1.00 0.00 H +ATOM 74 HB2 SER A 8 -10.498 -4.832 2.972 1.00 0.00 H +ATOM 75 HB3 SER A 8 -10.362 -4.523 1.252 1.00 0.00 H +ATOM 76 HG SER A 8 -8.046 -4.283 1.526 1.00 0.00 H +ATOM 77 N CYS A 9 -9.972 -1.401 0.510 1.00 0.00 N +ATOM 78 CA CYS A 9 -10.518 -0.696 -0.637 1.00 0.00 C +ATOM 79 C CYS A 9 -10.709 -1.703 -1.773 1.00 0.00 C +ATOM 80 O CYS A 9 -11.837 -2.006 -2.156 1.00 0.00 O +ATOM 81 CB CYS A 9 -9.629 0.476 -1.056 1.00 0.00 C +ATOM 82 SG CYS A 9 -9.035 1.521 0.325 1.00 0.00 S +ATOM 83 H CYS A 9 -8.983 -1.314 0.628 1.00 0.00 H +ATOM 84 HA CYS A 9 -11.476 -0.282 -0.322 1.00 0.00 H +ATOM 85 HB2 CYS A 9 -8.766 0.085 -1.594 1.00 0.00 H +ATOM 86 HB3 CYS A 9 -10.184 1.103 -1.754 1.00 0.00 H +ATOM 87 N GLN A 10 -9.587 -2.193 -2.281 1.00 0.00 N +ATOM 88 CA GLN A 10 -9.616 -3.159 -3.366 1.00 0.00 C +ATOM 89 C GLN A 10 -8.290 -3.919 -3.436 1.00 0.00 C +ATOM 90 O GLN A 10 -8.258 -5.135 -3.256 1.00 0.00 O +ATOM 91 CB GLN A 10 -9.928 -2.476 -4.699 1.00 0.00 C +ATOM 92 CG GLN A 10 -10.945 -3.286 -5.506 1.00 0.00 C +ATOM 93 CD GLN A 10 -11.933 -2.366 -6.225 1.00 0.00 C +ATOM 94 OE1 GLN A 10 -12.446 -1.408 -5.669 1.00 0.00 O +ATOM 95 NE2 GLN A 10 -12.170 -2.707 -7.488 1.00 0.00 N +ATOM 96 H GLN A 10 -8.673 -1.941 -1.964 1.00 0.00 H +ATOM 97 HA GLN A 10 -10.425 -3.847 -3.120 1.00 0.00 H +ATOM 98 HB2 GLN A 10 -10.318 -1.475 -4.517 1.00 0.00 H +ATOM 99 HB3 GLN A 10 -9.010 -2.361 -5.276 1.00 0.00 H +ATOM 100 HG2 GLN A 10 -10.424 -3.907 -6.235 1.00 0.00 H +ATOM 101 HG3 GLN A 10 -11.487 -3.960 -4.842 1.00 0.00 H +ATOM 102 HE21 GLN A 10 -11.715 -3.506 -7.884 1.00 0.00 H +ATOM 103 HE22 GLN A 10 -12.802 -2.166 -8.042 1.00 0.00 H +ATOM 104 N TYR A 11 -7.229 -3.170 -3.697 1.00 0.00 N +ATOM 105 CA TYR A 11 -5.904 -3.759 -3.793 1.00 0.00 C +ATOM 106 C TYR A 11 -5.458 -4.328 -2.445 1.00 0.00 C +ATOM 107 O TYR A 11 -5.958 -3.919 -1.398 1.00 0.00 O +ATOM 108 CB TYR A 11 -4.963 -2.618 -4.187 1.00 0.00 C +ATOM 109 CG TYR A 11 -5.174 -2.101 -5.611 1.00 0.00 C +ATOM 110 CD1 TYR A 11 -4.564 -2.738 -6.673 1.00 0.00 C +ATOM 111 CD2 TYR A 11 -5.974 -0.999 -5.835 1.00 0.00 C +ATOM 112 CE1 TYR A 11 -4.762 -2.252 -8.014 1.00 0.00 C +ATOM 113 CE2 TYR A 11 -6.172 -0.513 -7.176 1.00 0.00 C +ATOM 114 CZ TYR A 11 -5.557 -1.164 -8.199 1.00 0.00 C +ATOM 115 OH TYR A 11 -5.744 -0.705 -9.466 1.00 0.00 O +ATOM 116 H TYR A 11 -7.264 -2.182 -3.842 1.00 0.00 H +ATOM 117 HA TYR A 11 -5.946 -4.566 -4.524 1.00 0.00 H +ATOM 118 HB2 TYR A 11 -5.098 -1.792 -3.488 1.00 0.00 H +ATOM 119 HB3 TYR A 11 -3.933 -2.957 -4.083 1.00 0.00 H +ATOM 120 HD1 TYR A 11 -3.932 -3.608 -6.497 1.00 0.00 H +ATOM 121 HD2 TYR A 11 -6.456 -0.497 -4.996 1.00 0.00 H +ATOM 122 HE1 TYR A 11 -4.286 -2.745 -8.862 1.00 0.00 H +ATOM 123 HE2 TYR A 11 -6.802 0.356 -7.366 1.00 0.00 H +ATOM 124 HH TYR A 11 -4.897 -0.302 -9.812 1.00 0.00 H +ATOM 125 N GLN A 12 -4.523 -5.264 -2.514 1.00 0.00 N +ATOM 126 CA GLN A 12 -4.004 -5.894 -1.312 1.00 0.00 C +ATOM 127 C GLN A 12 -2.475 -5.849 -1.306 1.00 0.00 C +ATOM 128 O GLN A 12 -1.822 -6.736 -1.854 1.00 0.00 O +ATOM 129 CB GLN A 12 -4.510 -7.333 -1.185 1.00 0.00 C +ATOM 130 CG GLN A 12 -5.025 -7.610 0.229 1.00 0.00 C +ATOM 131 CD GLN A 12 -6.061 -8.736 0.224 1.00 0.00 C +ATOM 132 OE1 GLN A 12 -5.888 -9.770 -0.399 1.00 0.00 O +ATOM 133 NE2 GLN A 12 -7.143 -8.479 0.953 1.00 0.00 N +ATOM 134 H GLN A 12 -4.121 -5.591 -3.369 1.00 0.00 H +ATOM 135 HA GLN A 12 -4.395 -5.304 -0.483 1.00 0.00 H +ATOM 136 HB2 GLN A 12 -5.308 -7.506 -1.907 1.00 0.00 H +ATOM 137 HB3 GLN A 12 -3.706 -8.028 -1.425 1.00 0.00 H +ATOM 138 HG2 GLN A 12 -4.191 -7.880 0.877 1.00 0.00 H +ATOM 139 HG3 GLN A 12 -5.470 -6.704 0.642 1.00 0.00 H +ATOM 140 HE21 GLN A 12 -7.222 -7.610 1.441 1.00 0.00 H +ATOM 141 HE22 GLN A 12 -7.878 -9.155 1.013 1.00 0.00 H +ATOM 142 N ASP A 13 -1.948 -4.807 -0.681 1.00 0.00 N +ATOM 143 CA ASP A 13 -0.508 -4.634 -0.596 1.00 0.00 C +ATOM 144 C ASP A 13 0.150 -5.990 -0.334 1.00 0.00 C +ATOM 145 O ASP A 13 -0.258 -6.717 0.570 1.00 0.00 O +ATOM 146 CB ASP A 13 -0.132 -3.696 0.553 1.00 0.00 C +ATOM 147 CG ASP A 13 -1.191 -3.559 1.648 1.00 0.00 C +ATOM 148 OD1 ASP A 13 -1.685 -4.616 2.097 1.00 0.00 O +ATOM 149 OD2 ASP A 13 -1.483 -2.399 2.012 1.00 0.00 O +ATOM 150 H ASP A 13 -2.486 -4.090 -0.237 1.00 0.00 H +ATOM 151 HA ASP A 13 -0.214 -4.206 -1.555 1.00 0.00 H +ATOM 152 HB2 ASP A 13 0.793 -4.054 1.006 1.00 0.00 H +ATOM 153 HB3 ASP A 13 0.076 -2.708 0.143 1.00 0.00 H +ATOM 154 N LEU A 14 1.156 -6.290 -1.142 1.00 0.00 N +ATOM 155 CA LEU A 14 1.874 -7.546 -1.009 1.00 0.00 C +ATOM 156 C LEU A 14 2.751 -7.498 0.244 1.00 0.00 C +ATOM 157 O LEU A 14 2.965 -8.518 0.896 1.00 0.00 O +ATOM 158 CB LEU A 14 2.650 -7.859 -2.290 1.00 0.00 C +ATOM 159 CG LEU A 14 1.818 -8.364 -3.471 1.00 0.00 C +ATOM 160 CD1 LEU A 14 1.552 -9.866 -3.351 1.00 0.00 C +ATOM 161 CD2 LEU A 14 0.524 -7.561 -3.614 1.00 0.00 C +ATOM 162 H LEU A 14 1.482 -5.693 -1.876 1.00 0.00 H +ATOM 163 HA LEU A 14 1.132 -8.335 -0.881 1.00 0.00 H +ATOM 164 HB2 LEU A 14 3.176 -6.956 -2.602 1.00 0.00 H +ATOM 165 HB3 LEU A 14 3.408 -8.607 -2.059 1.00 0.00 H +ATOM 166 HG LEU A 14 2.394 -8.211 -4.384 1.00 0.00 H +ATOM 167 HD11 LEU A 14 2.443 -10.364 -2.971 1.00 0.00 H +ATOM 168 HD12 LEU A 14 0.721 -10.033 -2.666 1.00 0.00 H +ATOM 169 HD13 LEU A 14 1.301 -10.269 -4.332 1.00 0.00 H +ATOM 170 HD21 LEU A 14 0.749 -6.496 -3.566 1.00 0.00 H +ATOM 171 HD22 LEU A 14 0.057 -7.791 -4.572 1.00 0.00 H +ATOM 172 HD23 LEU A 14 -0.158 -7.825 -2.805 1.00 0.00 H +ATOM 173 N LEU A 15 3.235 -6.301 0.543 1.00 0.00 N +ATOM 174 CA LEU A 15 4.083 -6.106 1.706 1.00 0.00 C +ATOM 175 C LEU A 15 3.208 -5.958 2.952 1.00 0.00 C +ATOM 176 O LEU A 15 2.008 -6.227 2.907 1.00 0.00 O +ATOM 177 CB LEU A 15 5.037 -4.930 1.482 1.00 0.00 C +ATOM 178 CG LEU A 15 5.959 -5.037 0.265 1.00 0.00 C +ATOM 179 CD1 LEU A 15 6.387 -3.651 -0.221 1.00 0.00 C +ATOM 180 CD2 LEU A 15 7.160 -5.936 0.564 1.00 0.00 C +ATOM 181 H LEU A 15 3.056 -5.476 0.007 1.00 0.00 H +ATOM 182 HA LEU A 15 4.695 -7.001 1.817 1.00 0.00 H +ATOM 183 HB2 LEU A 15 4.445 -4.021 1.386 1.00 0.00 H +ATOM 184 HB3 LEU A 15 5.655 -4.815 2.372 1.00 0.00 H +ATOM 185 HG LEU A 15 5.401 -5.504 -0.546 1.00 0.00 H +ATOM 186 HD11 LEU A 15 5.922 -3.444 -1.184 1.00 0.00 H +ATOM 187 HD12 LEU A 15 6.074 -2.899 0.504 1.00 0.00 H +ATOM 188 HD13 LEU A 15 7.472 -3.623 -0.328 1.00 0.00 H +ATOM 189 HD21 LEU A 15 8.004 -5.322 0.878 1.00 0.00 H +ATOM 190 HD22 LEU A 15 6.902 -6.634 1.361 1.00 0.00 H +ATOM 191 HD23 LEU A 15 7.429 -6.493 -0.333 1.00 0.00 H +ATOM 192 N SER A 16 3.841 -5.532 4.034 1.00 0.00 N +ATOM 193 CA SER A 16 3.135 -5.345 5.290 1.00 0.00 C +ATOM 194 C SER A 16 3.401 -3.941 5.837 1.00 0.00 C +ATOM 195 O SER A 16 2.482 -3.266 6.297 1.00 0.00 O +ATOM 196 CB SER A 16 3.548 -6.402 6.317 1.00 0.00 C +ATOM 197 OG SER A 16 2.574 -6.557 7.345 1.00 0.00 O +ATOM 198 H SER A 16 4.817 -5.315 4.062 1.00 0.00 H +ATOM 199 HA SER A 16 2.079 -5.468 5.048 1.00 0.00 H +ATOM 200 HB2 SER A 16 3.699 -7.357 5.813 1.00 0.00 H +ATOM 201 HB3 SER A 16 4.503 -6.122 6.761 1.00 0.00 H +ATOM 202 HG SER A 16 2.802 -7.345 7.916 1.00 0.00 H +ATOM 203 N ASN A 17 4.663 -3.544 5.768 1.00 0.00 N +ATOM 204 CA ASN A 17 5.062 -2.232 6.251 1.00 0.00 C +ATOM 205 C ASN A 17 4.945 -1.217 5.112 1.00 0.00 C +ATOM 206 O ASN A 17 5.827 -0.380 4.929 1.00 0.00 O +ATOM 207 CB ASN A 17 6.514 -2.240 6.730 1.00 0.00 C +ATOM 208 CG ASN A 17 7.423 -2.936 5.715 1.00 0.00 C +ATOM 209 OD1 ASN A 17 7.138 -4.017 5.226 1.00 0.00 O +ATOM 210 ND2 ASN A 17 8.530 -2.258 5.425 1.00 0.00 N +ATOM 211 H ASN A 17 5.405 -4.099 5.392 1.00 0.00 H +ATOM 212 HA ASN A 17 4.384 -2.013 7.076 1.00 0.00 H +ATOM 213 HB2 ASN A 17 6.855 -1.216 6.887 1.00 0.00 H +ATOM 214 HB3 ASN A 17 6.581 -2.749 7.692 1.00 0.00 H +ATOM 215 HD21 ASN A 17 8.704 -1.375 5.862 1.00 0.00 H +ATOM 216 HD22 ASN A 17 9.188 -2.631 4.771 1.00 0.00 H +ATOM 217 N CYS A 18 3.849 -1.325 4.376 1.00 0.00 N +ATOM 218 CA CYS A 18 3.605 -0.428 3.259 1.00 0.00 C +ATOM 219 C CYS A 18 3.505 0.999 3.803 1.00 0.00 C +ATOM 220 O CYS A 18 4.264 1.877 3.396 1.00 0.00 O +ATOM 221 CB CYS A 18 2.354 -0.828 2.474 1.00 0.00 C +ATOM 222 SG CYS A 18 2.598 -2.203 1.292 1.00 0.00 S +ATOM 223 H CYS A 18 3.136 -2.009 4.531 1.00 0.00 H +ATOM 224 HA CYS A 18 4.457 -0.526 2.587 1.00 0.00 H +ATOM 225 HB2 CYS A 18 1.573 -1.109 3.180 1.00 0.00 H +ATOM 226 HB3 CYS A 18 1.992 0.043 1.927 1.00 0.00 H +ATOM 227 N ASP A 19 2.563 1.186 4.716 1.00 0.00 N +ATOM 228 CA ASP A 19 2.354 2.491 5.320 1.00 0.00 C +ATOM 229 C ASP A 19 3.678 3.001 5.892 1.00 0.00 C +ATOM 230 O ASP A 19 4.237 3.978 5.396 1.00 0.00 O +ATOM 231 CB ASP A 19 1.344 2.412 6.466 1.00 0.00 C +ATOM 232 CG ASP A 19 0.263 3.494 6.451 1.00 0.00 C +ATOM 233 OD1 ASP A 19 0.638 4.673 6.630 1.00 0.00 O +ATOM 234 OD2 ASP A 19 -0.914 3.119 6.260 1.00 0.00 O +ATOM 235 H ASP A 19 1.950 0.466 5.042 1.00 0.00 H +ATOM 236 HA ASP A 19 1.976 3.121 4.516 1.00 0.00 H +ATOM 237 HB2 ASP A 19 0.859 1.436 6.437 1.00 0.00 H +ATOM 238 HB3 ASP A 19 1.883 2.471 7.411 1.00 0.00 H +ATOM 239 N SER A 20 4.142 2.317 6.927 1.00 0.00 N +ATOM 240 CA SER A 20 5.390 2.688 7.572 1.00 0.00 C +ATOM 241 C SER A 20 6.415 3.116 6.519 1.00 0.00 C +ATOM 242 O SER A 20 7.214 4.021 6.757 1.00 0.00 O +ATOM 243 CB SER A 20 5.942 1.535 8.411 1.00 0.00 C +ATOM 244 OG SER A 20 5.060 1.177 9.472 1.00 0.00 O +ATOM 245 H SER A 20 3.681 1.523 7.325 1.00 0.00 H +ATOM 246 HA SER A 20 5.140 3.525 8.224 1.00 0.00 H +ATOM 247 HB2 SER A 20 6.109 0.668 7.771 1.00 0.00 H +ATOM 248 HB3 SER A 20 6.910 1.817 8.825 1.00 0.00 H +ATOM 249 HG SER A 20 4.120 1.425 9.234 1.00 0.00 H +ATOM 250 N LEU A 21 6.360 2.446 5.378 1.00 0.00 N +ATOM 251 CA LEU A 21 7.273 2.745 4.289 1.00 0.00 C +ATOM 252 C LEU A 21 6.830 4.036 3.598 1.00 0.00 C +ATOM 253 O LEU A 21 7.476 5.074 3.740 1.00 0.00 O +ATOM 254 CB LEU A 21 7.388 1.549 3.342 1.00 0.00 C +ATOM 255 CG LEU A 21 8.234 0.376 3.842 1.00 0.00 C +ATOM 256 CD1 LEU A 21 7.945 -0.891 3.035 1.00 0.00 C +ATOM 257 CD2 LEU A 21 9.722 0.732 3.836 1.00 0.00 C +ATOM 258 H LEU A 21 5.707 1.711 5.193 1.00 0.00 H +ATOM 259 HA LEU A 21 8.259 2.907 4.725 1.00 0.00 H +ATOM 260 HB2 LEU A 21 6.384 1.182 3.128 1.00 0.00 H +ATOM 261 HB3 LEU A 21 7.807 1.897 2.398 1.00 0.00 H +ATOM 262 HG LEU A 21 7.956 0.171 4.875 1.00 0.00 H +ATOM 263 HD11 LEU A 21 8.882 -1.402 2.813 1.00 0.00 H +ATOM 264 HD12 LEU A 21 7.300 -1.552 3.615 1.00 0.00 H +ATOM 265 HD13 LEU A 21 7.447 -0.624 2.104 1.00 0.00 H +ATOM 266 HD21 LEU A 21 9.837 1.814 3.908 1.00 0.00 H +ATOM 267 HD22 LEU A 21 10.212 0.258 4.686 1.00 0.00 H +ATOM 268 HD23 LEU A 21 10.177 0.379 2.911 1.00 0.00 H +ATOM 269 N LYS A 22 5.732 3.931 2.865 1.00 0.00 N +ATOM 270 CA LYS A 22 5.195 5.077 2.151 1.00 0.00 C +ATOM 271 C LYS A 22 5.279 6.314 3.047 1.00 0.00 C +ATOM 272 O LYS A 22 5.659 7.391 2.590 1.00 0.00 O +ATOM 273 CB LYS A 22 3.783 4.779 1.644 1.00 0.00 C +ATOM 274 CG LYS A 22 3.170 6.011 0.975 1.00 0.00 C +ATOM 275 CD LYS A 22 1.850 6.399 1.644 1.00 0.00 C +ATOM 276 CE LYS A 22 0.656 6.010 0.770 1.00 0.00 C +ATOM 277 NZ LYS A 22 0.279 7.131 -0.120 1.00 0.00 N +ATOM 278 H LYS A 22 5.213 3.083 2.754 1.00 0.00 H +ATOM 279 HA LYS A 22 5.824 5.241 1.276 1.00 0.00 H +ATOM 280 HB2 LYS A 22 3.814 3.953 0.934 1.00 0.00 H +ATOM 281 HB3 LYS A 22 3.153 4.461 2.475 1.00 0.00 H +ATOM 282 HG2 LYS A 22 3.869 6.845 1.030 1.00 0.00 H +ATOM 283 HG3 LYS A 22 2.999 5.808 -0.083 1.00 0.00 H +ATOM 284 HD2 LYS A 22 1.771 5.906 2.613 1.00 0.00 H +ATOM 285 HD3 LYS A 22 1.834 7.473 1.831 1.00 0.00 H +ATOM 286 HE2 LYS A 22 0.905 5.133 0.173 1.00 0.00 H +ATOM 287 HE3 LYS A 22 -0.190 5.737 1.400 1.00 0.00 H +ATOM 288 HZ1 LYS A 22 -0.586 7.526 0.190 1.00 0.00 H +ATOM 289 HZ2 LYS A 22 0.992 7.831 -0.095 1.00 0.00 H +ATOM 290 HZ3 LYS A 22 0.175 6.794 -1.056 1.00 0.00 H +ATOM 291 N ASN A 23 4.917 6.119 4.307 1.00 0.00 N +ATOM 292 CA ASN A 23 4.946 7.206 5.270 1.00 0.00 C +ATOM 293 C ASN A 23 6.207 8.044 5.051 1.00 0.00 C +ATOM 294 O ASN A 23 6.170 9.268 5.157 1.00 0.00 O +ATOM 295 CB ASN A 23 4.977 6.671 6.703 1.00 0.00 C +ATOM 296 CG ASN A 23 3.633 6.890 7.401 1.00 0.00 C +ATOM 297 OD1 ASN A 23 3.018 7.939 7.304 1.00 0.00 O +ATOM 298 ND2 ASN A 23 3.213 5.844 8.107 1.00 0.00 N +ATOM 299 H ASN A 23 4.608 5.240 4.670 1.00 0.00 H +ATOM 300 HA ASN A 23 4.032 7.773 5.091 1.00 0.00 H +ATOM 301 HB2 ASN A 23 5.217 5.607 6.693 1.00 0.00 H +ATOM 302 HB3 ASN A 23 5.768 7.170 7.264 1.00 0.00 H +ATOM 303 HD21 ASN A 23 3.767 5.012 8.145 1.00 0.00 H +ATOM 304 HD22 ASN A 23 2.344 5.890 8.600 1.00 0.00 H +ATOM 305 N THR A 24 7.294 7.349 4.748 1.00 0.00 N +ATOM 306 CA THR A 24 8.565 8.014 4.512 1.00 0.00 C +ATOM 307 C THR A 24 9.092 7.675 3.116 1.00 0.00 C +ATOM 308 O THR A 24 9.034 8.504 2.209 1.00 0.00 O +ATOM 309 CB THR A 24 9.523 7.615 5.636 1.00 0.00 C +ATOM 310 OG1 THR A 24 9.678 6.208 5.478 1.00 0.00 O +ATOM 311 CG2 THR A 24 8.893 7.767 7.023 1.00 0.00 C +ATOM 312 H THR A 24 7.316 6.353 4.663 1.00 0.00 H +ATOM 313 HA THR A 24 8.400 9.091 4.539 1.00 0.00 H +ATOM 314 HB THR A 24 10.456 8.174 5.569 1.00 0.00 H +ATOM 315 HG1 THR A 24 8.830 5.740 5.729 1.00 0.00 H +ATOM 316 HG21 THR A 24 8.667 8.818 7.206 1.00 0.00 H +ATOM 317 HG22 THR A 24 7.974 7.184 7.070 1.00 0.00 H +ATOM 318 HG23 THR A 24 9.591 7.408 7.780 1.00 0.00 H +ATOM 319 N ALA A 25 9.596 6.456 2.988 1.00 0.00 N +ATOM 320 CA ALA A 25 10.133 5.998 1.718 1.00 0.00 C +ATOM 321 C ALA A 25 9.235 6.490 0.582 1.00 0.00 C +ATOM 322 O ALA A 25 9.726 6.913 -0.464 1.00 0.00 O +ATOM 323 CB ALA A 25 10.264 4.474 1.739 1.00 0.00 C +ATOM 324 H ALA A 25 9.639 5.788 3.731 1.00 0.00 H +ATOM 325 HA ALA A 25 11.125 6.434 1.601 1.00 0.00 H +ATOM 326 HB1 ALA A 25 10.906 4.153 0.918 1.00 0.00 H +ATOM 327 HB2 ALA A 25 10.702 4.160 2.687 1.00 0.00 H +ATOM 328 HB3 ALA A 25 9.278 4.023 1.627 1.00 0.00 H +ATOM 329 N GLY A 26 7.934 6.419 0.825 1.00 0.00 N +ATOM 330 CA GLY A 26 6.963 6.852 -0.165 1.00 0.00 C +ATOM 331 C GLY A 26 6.823 5.818 -1.285 1.00 0.00 C +ATOM 332 O GLY A 26 7.814 5.237 -1.725 1.00 0.00 O +ATOM 333 H GLY A 26 7.543 6.073 1.678 1.00 0.00 H +ATOM 334 HA2 GLY A 26 5.996 7.008 0.313 1.00 0.00 H +ATOM 335 HA3 GLY A 26 7.269 7.810 -0.586 1.00 0.00 H +ATOM 336 N CYS A 27 5.585 5.621 -1.714 1.00 0.00 N +ATOM 337 CA CYS A 27 5.303 4.668 -2.773 1.00 0.00 C +ATOM 338 C CYS A 27 6.384 4.810 -3.847 1.00 0.00 C +ATOM 339 O CYS A 27 6.725 3.839 -4.521 1.00 0.00 O +ATOM 340 CB CYS A 27 3.898 4.861 -3.349 1.00 0.00 C +ATOM 341 SG CYS A 27 2.552 4.127 -2.350 1.00 0.00 S +ATOM 342 H CYS A 27 4.785 6.099 -1.350 1.00 0.00 H +ATOM 343 HA CYS A 27 5.335 3.678 -2.320 1.00 0.00 H +ATOM 344 HB2 CYS A 27 3.709 5.929 -3.458 1.00 0.00 H +ATOM 345 HB3 CYS A 27 3.868 4.428 -4.349 1.00 0.00 H +ATOM 346 N GLU A 28 6.892 6.027 -3.973 1.00 0.00 N +ATOM 347 CA GLU A 28 7.927 6.308 -4.953 1.00 0.00 C +ATOM 348 C GLU A 28 8.941 5.162 -4.998 1.00 0.00 C +ATOM 349 O GLU A 28 9.490 4.855 -6.055 1.00 0.00 O +ATOM 350 CB GLU A 28 8.618 7.640 -4.655 1.00 0.00 C +ATOM 351 CG GLU A 28 8.635 8.538 -5.893 1.00 0.00 C +ATOM 352 CD GLU A 28 10.007 8.513 -6.570 1.00 0.00 C +ATOM 353 OE1 GLU A 28 10.974 8.945 -5.908 1.00 0.00 O +ATOM 354 OE2 GLU A 28 10.056 8.062 -7.735 1.00 0.00 O +ATOM 355 H GLU A 28 6.609 6.811 -3.421 1.00 0.00 H +ATOM 356 HA GLU A 28 7.409 6.380 -5.909 1.00 0.00 H +ATOM 357 HB2 GLU A 28 8.101 8.147 -3.840 1.00 0.00 H +ATOM 358 HB3 GLU A 28 9.639 7.457 -4.320 1.00 0.00 H +ATOM 359 HG2 GLU A 28 7.872 8.207 -6.598 1.00 0.00 H +ATOM 360 HG3 GLU A 28 8.384 9.560 -5.609 1.00 0.00 H +ATOM 361 N HIS A 29 9.159 4.562 -3.837 1.00 0.00 N +ATOM 362 CA HIS A 29 10.097 3.457 -3.730 1.00 0.00 C +ATOM 363 C HIS A 29 9.807 2.430 -4.826 1.00 0.00 C +ATOM 364 O HIS A 29 8.860 2.588 -5.596 1.00 0.00 O +ATOM 365 CB HIS A 29 10.064 2.851 -2.326 1.00 0.00 C +ATOM 366 CG HIS A 29 11.257 1.983 -2.004 1.00 0.00 C +ATOM 367 ND1 HIS A 29 11.357 0.664 -2.413 1.00 0.00 N +ATOM 368 CD2 HIS A 29 12.399 2.259 -1.311 1.00 0.00 C +ATOM 369 CE1 HIS A 29 12.511 0.178 -1.978 1.00 0.00 C +ATOM 370 NE2 HIS A 29 13.154 1.168 -1.295 1.00 0.00 N +ATOM 371 H HIS A 29 8.708 4.817 -2.982 1.00 0.00 H +ATOM 372 HA HIS A 29 11.091 3.875 -3.889 1.00 0.00 H +ATOM 373 HB2 HIS A 29 10.006 3.657 -1.594 1.00 0.00 H +ATOM 374 HB3 HIS A 29 9.156 2.257 -2.219 1.00 0.00 H +ATOM 375 HD2 HIS A 29 12.648 3.214 -0.848 1.00 0.00 H +ATOM 376 HE1 HIS A 29 12.880 -0.835 -2.139 1.00 0.00 H +ATOM 377 HE2 HIS A 29 14.073 1.102 -0.904 1.00 0.00 H +ATOM 378 N GLU A 30 10.640 1.400 -4.863 1.00 0.00 N +ATOM 379 CA GLU A 30 10.485 0.347 -5.852 1.00 0.00 C +ATOM 380 C GLU A 30 9.857 -0.893 -5.213 1.00 0.00 C +ATOM 381 O GLU A 30 9.350 -1.768 -5.914 1.00 0.00 O +ATOM 382 CB GLU A 30 11.826 0.008 -6.506 1.00 0.00 C +ATOM 383 CG GLU A 30 11.869 0.499 -7.955 1.00 0.00 C +ATOM 384 CD GLU A 30 13.098 -0.050 -8.683 1.00 0.00 C +ATOM 385 OE1 GLU A 30 13.104 -1.272 -8.943 1.00 0.00 O +ATOM 386 OE2 GLU A 30 14.002 0.766 -8.964 1.00 0.00 O +ATOM 387 H GLU A 30 11.407 1.279 -4.234 1.00 0.00 H +ATOM 388 HA GLU A 30 9.812 0.755 -6.607 1.00 0.00 H +ATOM 389 HB2 GLU A 30 12.637 0.464 -5.939 1.00 0.00 H +ATOM 390 HB3 GLU A 30 11.985 -1.070 -6.479 1.00 0.00 H +ATOM 391 HG2 GLU A 30 10.964 0.187 -8.475 1.00 0.00 H +ATOM 392 HG3 GLU A 30 11.888 1.589 -7.972 1.00 0.00 H +ATOM 393 N LEU A 31 9.911 -0.930 -3.890 1.00 0.00 N +ATOM 394 CA LEU A 31 9.354 -2.048 -3.149 1.00 0.00 C +ATOM 395 C LEU A 31 7.864 -1.801 -2.903 1.00 0.00 C +ATOM 396 O LEU A 31 7.055 -2.722 -2.997 1.00 0.00 O +ATOM 397 CB LEU A 31 10.155 -2.295 -1.869 1.00 0.00 C +ATOM 398 CG LEU A 31 10.925 -3.616 -1.804 1.00 0.00 C +ATOM 399 CD1 LEU A 31 11.744 -3.710 -0.515 1.00 0.00 C +ATOM 400 CD2 LEU A 31 9.983 -4.809 -1.973 1.00 0.00 C +ATOM 401 H LEU A 31 10.325 -0.214 -3.327 1.00 0.00 H +ATOM 402 HA LEU A 31 9.459 -2.937 -3.771 1.00 0.00 H +ATOM 403 HB2 LEU A 31 10.865 -1.477 -1.744 1.00 0.00 H +ATOM 404 HB3 LEU A 31 9.471 -2.255 -1.022 1.00 0.00 H +ATOM 405 HG LEU A 31 11.630 -3.642 -2.635 1.00 0.00 H +ATOM 406 HD11 LEU A 31 12.597 -4.370 -0.674 1.00 0.00 H +ATOM 407 HD12 LEU A 31 12.099 -2.718 -0.236 1.00 0.00 H +ATOM 408 HD13 LEU A 31 11.120 -4.110 0.284 1.00 0.00 H +ATOM 409 HD21 LEU A 31 10.516 -5.628 -2.457 1.00 0.00 H +ATOM 410 HD22 LEU A 31 9.629 -5.134 -0.994 1.00 0.00 H +ATOM 411 HD23 LEU A 31 9.132 -4.516 -2.588 1.00 0.00 H +ATOM 412 N LEU A 32 7.548 -0.552 -2.594 1.00 0.00 N +ATOM 413 CA LEU A 32 6.170 -0.172 -2.335 1.00 0.00 C +ATOM 414 C LEU A 32 5.649 0.669 -3.502 1.00 0.00 C +ATOM 415 O LEU A 32 4.903 1.626 -3.298 1.00 0.00 O +ATOM 416 CB LEU A 32 6.052 0.522 -0.976 1.00 0.00 C +ATOM 417 CG LEU A 32 6.929 1.760 -0.777 1.00 0.00 C +ATOM 418 CD1 LEU A 32 6.178 2.846 -0.004 1.00 0.00 C +ATOM 419 CD2 LEU A 32 8.254 1.391 -0.106 1.00 0.00 C +ATOM 420 H LEU A 32 8.212 0.192 -2.520 1.00 0.00 H +ATOM 421 HA LEU A 32 5.582 -1.088 -2.280 1.00 0.00 H +ATOM 422 HB2 LEU A 32 5.011 0.811 -0.827 1.00 0.00 H +ATOM 423 HB3 LEU A 32 6.297 -0.201 -0.199 1.00 0.00 H +ATOM 424 HG LEU A 32 7.169 2.171 -1.758 1.00 0.00 H +ATOM 425 HD11 LEU A 32 6.065 2.538 1.036 1.00 0.00 H +ATOM 426 HD12 LEU A 32 6.741 3.778 -0.048 1.00 0.00 H +ATOM 427 HD13 LEU A 32 5.194 2.994 -0.448 1.00 0.00 H +ATOM 428 HD21 LEU A 32 8.877 0.840 -0.811 1.00 0.00 H +ATOM 429 HD22 LEU A 32 8.771 2.299 0.202 1.00 0.00 H +ATOM 430 HD23 LEU A 32 8.058 0.769 0.768 1.00 0.00 H +ATOM 431 N LYS A 33 6.063 0.282 -4.700 1.00 0.00 N +ATOM 432 CA LYS A 33 5.647 0.989 -5.899 1.00 0.00 C +ATOM 433 C LYS A 33 4.326 0.401 -6.400 1.00 0.00 C +ATOM 434 O LYS A 33 3.374 1.137 -6.658 1.00 0.00 O +ATOM 435 CB LYS A 33 6.763 0.970 -6.945 1.00 0.00 C +ATOM 436 CG LYS A 33 6.601 -0.214 -7.900 1.00 0.00 C +ATOM 437 CD LYS A 33 7.647 -0.166 -9.016 1.00 0.00 C +ATOM 438 CE LYS A 33 8.304 -1.534 -9.211 1.00 0.00 C +ATOM 439 NZ LYS A 33 8.436 -1.845 -10.652 1.00 0.00 N +ATOM 440 H LYS A 33 6.669 -0.497 -4.857 1.00 0.00 H +ATOM 441 HA LYS A 33 5.480 2.030 -5.624 1.00 0.00 H +ATOM 442 HB2 LYS A 33 6.753 1.902 -7.511 1.00 0.00 H +ATOM 443 HB3 LYS A 33 7.732 0.912 -6.448 1.00 0.00 H +ATOM 444 HG2 LYS A 33 6.698 -1.148 -7.346 1.00 0.00 H +ATOM 445 HG3 LYS A 33 5.601 -0.202 -8.333 1.00 0.00 H +ATOM 446 HD2 LYS A 33 7.176 0.151 -9.947 1.00 0.00 H +ATOM 447 HD3 LYS A 33 8.408 0.576 -8.775 1.00 0.00 H +ATOM 448 HE2 LYS A 33 9.287 -1.542 -8.739 1.00 0.00 H +ATOM 449 HE3 LYS A 33 7.708 -2.303 -8.720 1.00 0.00 H +ATOM 450 HZ1 LYS A 33 8.241 -1.025 -11.189 1.00 0.00 H +ATOM 451 HZ2 LYS A 33 9.368 -2.154 -10.842 1.00 0.00 H +ATOM 452 HZ3 LYS A 33 7.789 -2.567 -10.898 1.00 0.00 H +ATOM 453 N GLU A 34 4.310 -0.918 -6.522 1.00 0.00 N +ATOM 454 CA GLU A 34 3.121 -1.612 -6.987 1.00 0.00 C +ATOM 455 C GLU A 34 2.633 -2.599 -5.924 1.00 0.00 C +ATOM 456 O GLU A 34 1.430 -2.749 -5.717 1.00 0.00 O +ATOM 457 CB GLU A 34 3.386 -2.323 -8.315 1.00 0.00 C +ATOM 458 CG GLU A 34 2.886 -1.486 -9.494 1.00 0.00 C +ATOM 459 CD GLU A 34 2.969 -2.276 -10.802 1.00 0.00 C +ATOM 460 OE1 GLU A 34 4.108 -2.622 -11.185 1.00 0.00 O +ATOM 461 OE2 GLU A 34 1.892 -2.516 -11.389 1.00 0.00 O +ATOM 462 H GLU A 34 5.088 -1.508 -6.310 1.00 0.00 H +ATOM 463 HA GLU A 34 2.373 -0.834 -7.141 1.00 0.00 H +ATOM 464 HB2 GLU A 34 4.454 -2.511 -8.425 1.00 0.00 H +ATOM 465 HB3 GLU A 34 2.889 -3.294 -8.318 1.00 0.00 H +ATOM 466 HG2 GLU A 34 1.856 -1.178 -9.316 1.00 0.00 H +ATOM 467 HG3 GLU A 34 3.481 -0.576 -9.577 1.00 0.00 H +ATOM 468 N LYS A 35 3.592 -3.247 -5.279 1.00 0.00 N +ATOM 469 CA LYS A 35 3.275 -4.215 -4.243 1.00 0.00 C +ATOM 470 C LYS A 35 2.533 -3.512 -3.104 1.00 0.00 C +ATOM 471 O LYS A 35 1.893 -4.164 -2.280 1.00 0.00 O +ATOM 472 CB LYS A 35 4.538 -4.950 -3.792 1.00 0.00 C +ATOM 473 CG LYS A 35 4.906 -6.063 -4.777 1.00 0.00 C +ATOM 474 CD LYS A 35 6.387 -6.429 -4.662 1.00 0.00 C +ATOM 475 CE LYS A 35 7.151 -6.024 -5.924 1.00 0.00 C +ATOM 476 NZ LYS A 35 8.252 -6.977 -6.191 1.00 0.00 N +ATOM 477 H LYS A 35 4.568 -3.119 -5.454 1.00 0.00 H +ATOM 478 HA LYS A 35 2.609 -4.958 -4.683 1.00 0.00 H +ATOM 479 HB2 LYS A 35 5.365 -4.245 -3.710 1.00 0.00 H +ATOM 480 HB3 LYS A 35 4.382 -5.374 -2.800 1.00 0.00 H +ATOM 481 HG2 LYS A 35 4.294 -6.943 -4.581 1.00 0.00 H +ATOM 482 HG3 LYS A 35 4.685 -5.740 -5.794 1.00 0.00 H +ATOM 483 HD2 LYS A 35 6.822 -5.932 -3.794 1.00 0.00 H +ATOM 484 HD3 LYS A 35 6.489 -7.502 -4.499 1.00 0.00 H +ATOM 485 HE2 LYS A 35 6.471 -5.998 -6.775 1.00 0.00 H +ATOM 486 HE3 LYS A 35 7.554 -5.018 -5.806 1.00 0.00 H +ATOM 487 HZ1 LYS A 35 8.168 -7.764 -5.580 1.00 0.00 H +ATOM 488 HZ2 LYS A 35 8.203 -7.286 -7.141 1.00 0.00 H +ATOM 489 HZ3 LYS A 35 9.130 -6.524 -6.033 1.00 0.00 H +ATOM 490 N CYS A 36 2.643 -2.192 -3.095 1.00 0.00 N +ATOM 491 CA CYS A 36 1.990 -1.394 -2.071 1.00 0.00 C +ATOM 492 C CYS A 36 0.911 -0.542 -2.741 1.00 0.00 C +ATOM 493 O CYS A 36 0.715 0.617 -2.378 1.00 0.00 O +ATOM 494 CB CYS A 36 2.994 -0.538 -1.295 1.00 0.00 C +ATOM 495 SG CYS A 36 3.989 -1.452 -0.061 1.00 0.00 S +ATOM 496 H CYS A 36 3.165 -1.670 -3.769 1.00 0.00 H +ATOM 497 HA CYS A 36 1.546 -2.095 -1.364 1.00 0.00 H +ATOM 498 HB2 CYS A 36 3.669 -0.062 -2.006 1.00 0.00 H +ATOM 499 HB3 CYS A 36 2.453 0.259 -0.786 1.00 0.00 H +ATOM 500 N LYS A 37 0.238 -1.148 -3.708 1.00 0.00 N +ATOM 501 CA LYS A 37 -0.816 -0.459 -4.433 1.00 0.00 C +ATOM 502 C LYS A 37 -1.814 0.130 -3.434 1.00 0.00 C +ATOM 503 O LYS A 37 -2.167 1.305 -3.524 1.00 0.00 O +ATOM 504 CB LYS A 37 -1.455 -1.392 -5.463 1.00 0.00 C +ATOM 505 CG LYS A 37 -0.804 -1.219 -6.837 1.00 0.00 C +ATOM 506 CD LYS A 37 -1.165 -2.381 -7.765 1.00 0.00 C +ATOM 507 CE LYS A 37 -1.604 -1.870 -9.139 1.00 0.00 C +ATOM 508 NZ LYS A 37 -0.467 -1.888 -10.086 1.00 0.00 N +ATOM 509 H LYS A 37 0.404 -2.091 -3.998 1.00 0.00 H +ATOM 510 HA LYS A 37 -0.353 0.360 -4.983 1.00 0.00 H +ATOM 511 HB2 LYS A 37 -1.354 -2.427 -5.136 1.00 0.00 H +ATOM 512 HB3 LYS A 37 -2.523 -1.184 -5.534 1.00 0.00 H +ATOM 513 HG2 LYS A 37 -1.130 -0.279 -7.282 1.00 0.00 H +ATOM 514 HG3 LYS A 37 0.279 -1.161 -6.726 1.00 0.00 H +ATOM 515 HD2 LYS A 37 -0.306 -3.043 -7.877 1.00 0.00 H +ATOM 516 HD3 LYS A 37 -1.966 -2.971 -7.320 1.00 0.00 H +ATOM 517 HE2 LYS A 37 -2.415 -2.489 -9.522 1.00 0.00 H +ATOM 518 HE3 LYS A 37 -1.993 -0.856 -9.048 1.00 0.00 H +ATOM 519 HZ1 LYS A 37 0.300 -2.382 -9.676 1.00 0.00 H +ATOM 520 HZ2 LYS A 37 -0.745 -2.346 -10.931 1.00 0.00 H +ATOM 521 HZ3 LYS A 37 -0.189 -0.950 -10.291 1.00 0.00 H +ATOM 522 N ALA A 38 -2.240 -0.713 -2.505 1.00 0.00 N +ATOM 523 CA ALA A 38 -3.190 -0.290 -1.490 1.00 0.00 C +ATOM 524 C ALA A 38 -2.717 1.026 -0.870 1.00 0.00 C +ATOM 525 O ALA A 38 -3.301 2.079 -1.119 1.00 0.00 O +ATOM 526 CB ALA A 38 -3.353 -1.400 -0.449 1.00 0.00 C +ATOM 527 H ALA A 38 -1.948 -1.667 -2.438 1.00 0.00 H +ATOM 528 HA ALA A 38 -4.150 -0.127 -1.981 1.00 0.00 H +ATOM 529 HB1 ALA A 38 -3.976 -1.041 0.370 1.00 0.00 H +ATOM 530 HB2 ALA A 38 -3.825 -2.266 -0.912 1.00 0.00 H +ATOM 531 HB3 ALA A 38 -2.374 -1.682 -0.063 1.00 0.00 H +ATOM 532 N THR A 39 -1.662 0.923 -0.075 1.00 0.00 N +ATOM 533 CA THR A 39 -1.103 2.092 0.582 1.00 0.00 C +ATOM 534 C THR A 39 -1.056 3.276 -0.386 1.00 0.00 C +ATOM 535 O THR A 39 -1.289 4.417 0.011 1.00 0.00 O +ATOM 536 CB THR A 39 0.269 1.710 1.141 1.00 0.00 C +ATOM 537 OG1 THR A 39 0.005 1.362 2.498 1.00 0.00 O +ATOM 538 CG2 THR A 39 1.215 2.907 1.241 1.00 0.00 C +ATOM 539 H THR A 39 -1.192 0.062 0.122 1.00 0.00 H +ATOM 540 HA THR A 39 -1.764 2.375 1.401 1.00 0.00 H +ATOM 541 HB THR A 39 0.717 0.906 0.557 1.00 0.00 H +ATOM 542 HG1 THR A 39 0.860 1.331 3.015 1.00 0.00 H +ATOM 543 HG21 THR A 39 0.699 3.740 1.719 1.00 0.00 H +ATOM 544 HG22 THR A 39 2.088 2.633 1.833 1.00 0.00 H +ATOM 545 HG23 THR A 39 1.533 3.203 0.241 1.00 0.00 H +ATOM 546 N CYS A 40 -0.752 2.964 -1.638 1.00 0.00 N +ATOM 547 CA CYS A 40 -0.671 3.988 -2.665 1.00 0.00 C +ATOM 548 C CYS A 40 -2.081 4.520 -2.926 1.00 0.00 C +ATOM 549 O CYS A 40 -2.415 5.632 -2.518 1.00 0.00 O +ATOM 550 CB CYS A 40 -0.016 3.458 -3.942 1.00 0.00 C +ATOM 551 SG CYS A 40 1.701 2.859 -3.733 1.00 0.00 S +ATOM 552 H CYS A 40 -0.563 2.034 -1.952 1.00 0.00 H +ATOM 553 HA CYS A 40 -0.027 4.775 -2.273 1.00 0.00 H +ATOM 554 HB2 CYS A 40 -0.625 2.643 -4.335 1.00 0.00 H +ATOM 555 HB3 CYS A 40 -0.020 4.249 -4.692 1.00 0.00 H +ATOM 556 N LEU A 41 -2.872 3.701 -3.603 1.00 0.00 N +ATOM 557 CA LEU A 41 -4.239 4.075 -3.923 1.00 0.00 C +ATOM 558 C LEU A 41 -5.094 3.997 -2.657 1.00 0.00 C +ATOM 559 O LEU A 41 -5.439 5.023 -2.072 1.00 0.00 O +ATOM 560 CB LEU A 41 -4.771 3.224 -5.078 1.00 0.00 C +ATOM 561 CG LEU A 41 -3.784 2.938 -6.211 1.00 0.00 C +ATOM 562 CD1 LEU A 41 -3.768 1.449 -6.562 1.00 0.00 C +ATOM 563 CD2 LEU A 41 -4.082 3.811 -7.432 1.00 0.00 C +ATOM 564 H LEU A 41 -2.593 2.799 -3.931 1.00 0.00 H +ATOM 565 HA LEU A 41 -4.223 5.110 -4.266 1.00 0.00 H +ATOM 566 HB2 LEU A 41 -5.115 2.272 -4.673 1.00 0.00 H +ATOM 567 HB3 LEU A 41 -5.643 3.724 -5.500 1.00 0.00 H +ATOM 568 HG LEU A 41 -2.783 3.198 -5.866 1.00 0.00 H +ATOM 569 HD11 LEU A 41 -3.748 1.331 -7.645 1.00 0.00 H +ATOM 570 HD12 LEU A 41 -2.882 0.983 -6.129 1.00 0.00 H +ATOM 571 HD13 LEU A 41 -4.662 0.972 -6.160 1.00 0.00 H +ATOM 572 HD21 LEU A 41 -4.672 4.675 -7.125 1.00 0.00 H +ATOM 573 HD22 LEU A 41 -3.145 4.149 -7.874 1.00 0.00 H +ATOM 574 HD23 LEU A 41 -4.642 3.231 -8.165 1.00 0.00 H +ATOM 575 N CYS A 42 -5.412 2.770 -2.270 1.00 0.00 N +ATOM 576 CA CYS A 42 -6.220 2.545 -1.084 1.00 0.00 C +ATOM 577 C CYS A 42 -5.710 3.466 0.026 1.00 0.00 C +ATOM 578 O CYS A 42 -4.527 3.798 0.069 1.00 0.00 O +ATOM 579 CB CYS A 42 -6.203 1.075 -0.659 1.00 0.00 C +ATOM 580 SG CYS A 42 -7.212 0.693 0.819 1.00 0.00 S +ATOM 581 H CYS A 42 -5.127 1.941 -2.751 1.00 0.00 H +ATOM 582 HA CYS A 42 -7.246 2.794 -1.353 1.00 0.00 H +ATOM 583 HB2 CYS A 42 -6.557 0.467 -1.491 1.00 0.00 H +ATOM 584 HB3 CYS A 42 -5.172 0.780 -0.464 1.00 0.00 H +ATOM 585 N GLU A 43 -6.630 3.854 0.898 1.00 0.00 N +ATOM 586 CA GLU A 43 -6.289 4.731 2.005 1.00 0.00 C +ATOM 587 C GLU A 43 -7.311 4.583 3.134 1.00 0.00 C +ATOM 588 O GLU A 43 -6.952 4.245 4.261 1.00 0.00 O +ATOM 589 CB GLU A 43 -6.190 6.186 1.543 1.00 0.00 C +ATOM 590 CG GLU A 43 -5.311 7.004 2.490 1.00 0.00 C +ATOM 591 CD GLU A 43 -4.050 7.499 1.779 1.00 0.00 C +ATOM 592 OE1 GLU A 43 -3.445 6.676 1.058 1.00 0.00 O +ATOM 593 OE2 GLU A 43 -3.719 8.689 1.972 1.00 0.00 O +ATOM 594 H GLU A 43 -7.591 3.580 0.856 1.00 0.00 H +ATOM 595 HA GLU A 43 -5.309 4.398 2.347 1.00 0.00 H +ATOM 596 HB2 GLU A 43 -5.777 6.224 0.534 1.00 0.00 H +ATOM 597 HB3 GLU A 43 -7.187 6.625 1.495 1.00 0.00 H +ATOM 598 HG2 GLU A 43 -5.875 7.855 2.872 1.00 0.00 H +ATOM 599 HG3 GLU A 43 -5.032 6.395 3.351 1.00 0.00 H +ATOM 600 N SER A 44 -8.564 4.842 2.792 1.00 0.00 N +ATOM 601 CA SER A 44 -9.641 4.742 3.763 1.00 0.00 C +ATOM 602 C SER A 44 -10.994 4.872 3.059 1.00 0.00 C +ATOM 603 O SER A 44 -11.829 3.973 3.143 1.00 0.00 O +ATOM 604 CB SER A 44 -9.504 5.810 4.850 1.00 0.00 C +ATOM 605 OG SER A 44 -10.599 5.788 5.761 1.00 0.00 O +ATOM 606 H SER A 44 -8.848 5.116 1.873 1.00 0.00 H +ATOM 607 HA SER A 44 -9.536 3.754 4.209 1.00 0.00 H +ATOM 608 HB2 SER A 44 -8.574 5.653 5.397 1.00 0.00 H +ATOM 609 HB3 SER A 44 -9.438 6.794 4.385 1.00 0.00 H +ATOM 610 HG SER A 44 -10.762 4.853 6.077 1.00 0.00 H +ATOM 611 N GLY A 45 -11.167 5.997 2.382 1.00 0.00 N +ATOM 612 CA GLY A 45 -12.403 6.256 1.664 1.00 0.00 C +ATOM 613 C GLY A 45 -12.225 7.393 0.656 1.00 0.00 C +ATOM 614 O GLY A 45 -11.155 7.543 0.067 1.00 0.00 O +ATOM 615 H GLY A 45 -10.482 6.723 2.319 1.00 0.00 H +ATOM 616 HA2 GLY A 45 -12.723 5.352 1.146 1.00 0.00 H +ATOM 617 HA3 GLY A 45 -13.192 6.513 2.372 1.00 0.00 H +ATOM 618 N PRO A 46 -13.317 8.184 0.483 1.00 0.00 N +ATOM 619 CA PRO A 46 -13.291 9.303 -0.444 1.00 0.00 C +ATOM 620 C PRO A 46 -12.490 10.473 0.131 1.00 0.00 C +ATOM 621 O PRO A 46 -13.065 11.413 0.678 1.00 0.00 O +ATOM 622 CB PRO A 46 -14.751 9.645 -0.689 1.00 0.00 C +ATOM 623 CG PRO A 46 -15.524 9.018 0.460 1.00 0.00 C +ATOM 624 CD PRO A 46 -14.600 8.037 1.162 1.00 0.00 C +ATOM 625 HA PRO A 46 -12.825 9.042 -1.290 1.00 0.00 H +ATOM 626 HB2 PRO A 46 -14.900 10.725 -0.716 1.00 0.00 H +ATOM 627 HB3 PRO A 46 -15.090 9.253 -1.648 1.00 0.00 H +ATOM 628 HG2 PRO A 46 -15.866 9.785 1.155 1.00 0.00 H +ATOM 629 HG3 PRO A 46 -16.412 8.507 0.088 1.00 0.00 H +ATOM 630 HD2 PRO A 46 -14.514 8.265 2.225 1.00 0.00 H +ATOM 631 HD3 PRO A 46 -14.974 7.016 1.085 1.00 0.00 H +ATOM 632 N SER A 47 -11.177 10.377 -0.013 1.00 0.00 N +ATOM 633 CA SER A 47 -10.292 11.416 0.485 1.00 0.00 C +ATOM 634 C SER A 47 -10.403 12.665 -0.393 1.00 0.00 C +ATOM 635 O SER A 47 -10.701 13.751 0.102 1.00 0.00 O +ATOM 636 CB SER A 47 -8.842 10.929 0.532 1.00 0.00 C +ATOM 637 OG SER A 47 -8.201 11.279 1.756 1.00 0.00 O +ATOM 638 H SER A 47 -10.718 9.610 -0.460 1.00 0.00 H +ATOM 639 HA SER A 47 -10.636 11.628 1.497 1.00 0.00 H +ATOM 640 HB2 SER A 47 -8.819 9.846 0.407 1.00 0.00 H +ATOM 641 HB3 SER A 47 -8.288 11.358 -0.303 1.00 0.00 H +ATOM 642 HG SER A 47 -8.834 11.158 2.520 1.00 0.00 H +ATOM 643 N SER A 48 -10.160 12.468 -1.680 1.00 0.00 N +ATOM 644 CA SER A 48 -10.229 13.564 -2.632 1.00 0.00 C +ATOM 645 C SER A 48 -11.645 13.673 -3.201 1.00 0.00 C +ATOM 646 O SER A 48 -12.294 14.709 -3.067 1.00 0.00 O +ATOM 647 CB SER A 48 -9.215 13.377 -3.762 1.00 0.00 C +ATOM 648 OG SER A 48 -8.880 14.613 -4.388 1.00 0.00 O +ATOM 649 H SER A 48 -9.919 11.581 -2.074 1.00 0.00 H +ATOM 650 HA SER A 48 -9.976 14.457 -2.061 1.00 0.00 H +ATOM 651 HB2 SER A 48 -8.311 12.915 -3.365 1.00 0.00 H +ATOM 652 HB3 SER A 48 -9.623 12.693 -4.506 1.00 0.00 H +ATOM 653 HG SER A 48 -9.707 15.055 -4.736 1.00 0.00 H +ATOM 654 N GLY A 49 -12.082 12.589 -3.826 1.00 0.00 N +ATOM 655 CA GLY A 49 -13.409 12.550 -4.416 1.00 0.00 C +ATOM 656 C GLY A 49 -14.458 13.094 -3.444 1.00 0.00 C +ATOM 657 O GLY A 49 -15.625 13.242 -3.804 1.00 0.00 O +ATOM 658 H GLY A 49 -11.548 11.750 -3.931 1.00 0.00 H +ATOM 659 HA2 GLY A 49 -13.420 13.138 -5.335 1.00 0.00 H +ATOM 660 HA3 GLY A 49 -13.659 11.526 -4.691 1.00 0.00 H Added: SwiftApps/modFTdock/input/2cwb-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2cwb-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2cwb-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,680 @@ +ATOM 1 N GLY A 63 -1.058 9.975 -5.840 1.00 5.47 N +ATOM 2 CA GLY A 63 -1.761 9.244 -4.760 1.00 4.70 C +ATOM 3 C GLY A 63 -2.102 10.147 -3.596 1.00 3.99 C +ATOM 4 O GLY A 63 -1.218 10.590 -2.863 1.00 4.42 O +ATOM 5 H GLY A 63 -0.160 10.372 -5.481 1.00 5.75 H +ATOM 6 HA2 GLY A 63 -2.674 8.824 -5.157 1.00 4.83 H +ATOM 7 HA3 GLY A 63 -1.128 8.442 -4.408 1.00 4.79 H +ATOM 8 N SER A 64 -3.384 10.426 -3.426 1.00 3.07 N +ATOM 9 CA SER A 64 -3.839 11.296 -2.357 1.00 2.52 C +ATOM 10 C SER A 64 -4.460 10.472 -1.239 1.00 1.59 C +ATOM 11 O SER A 64 -5.450 9.767 -1.455 1.00 2.18 O +ATOM 12 CB SER A 64 -4.836 12.324 -2.903 1.00 3.08 C +ATOM 13 OG SER A 64 -5.816 11.709 -3.726 1.00 3.62 O +ATOM 14 H SER A 64 -4.049 10.023 -4.032 1.00 2.97 H +ATOM 15 HA SER A 64 -2.977 11.817 -1.966 1.00 2.84 H +ATOM 16 HB2 SER A 64 -5.335 12.812 -2.077 1.00 3.22 H +ATOM 17 HB3 SER A 64 -4.305 13.060 -3.485 1.00 3.62 H +ATOM 18 HG SER A 64 -6.485 12.369 -3.974 1.00 4.19 H +ATOM 19 N GLN A 65 -3.837 10.530 -0.057 1.00 0.84 N +ATOM 20 CA GLN A 65 -4.258 9.752 1.119 1.00 1.24 C +ATOM 21 C GLN A 65 -3.941 8.268 0.941 1.00 1.23 C +ATOM 22 O GLN A 65 -4.039 7.485 1.883 1.00 2.20 O +ATOM 23 CB GLN A 65 -5.749 9.952 1.413 1.00 2.00 C +ATOM 24 CG GLN A 65 -6.126 11.403 1.641 1.00 2.37 C +ATOM 25 CD GLN A 65 -7.568 11.572 2.071 1.00 3.23 C +ATOM 26 OE1 GLN A 65 -7.876 11.528 3.263 1.00 3.81 O +ATOM 27 NE2 GLN A 65 -8.457 11.781 1.115 1.00 3.73 N +ATOM 28 H GLN A 65 -3.058 11.124 0.033 1.00 1.18 H +ATOM 29 HA GLN A 65 -3.690 10.117 1.962 1.00 1.94 H +ATOM 30 HB2 GLN A 65 -6.322 9.582 0.577 1.00 2.15 H +ATOM 31 HB3 GLN A 65 -6.011 9.389 2.297 1.00 2.72 H +ATOM 32 HG2 GLN A 65 -5.485 11.811 2.409 1.00 2.82 H +ATOM 33 HG3 GLN A 65 -5.973 11.946 0.720 1.00 2.10 H +ATOM 34 HE21 GLN A 65 -8.143 11.819 0.185 1.00 3.58 H +ATOM 35 HE22 GLN A 65 -9.399 11.890 1.372 1.00 4.43 H +ATOM 36 N TRP A 66 -3.565 7.908 -0.287 1.00 0.32 N +ATOM 37 CA TRP A 66 -3.152 6.552 -0.646 1.00 0.17 C +ATOM 38 C TRP A 66 -4.259 5.525 -0.421 1.00 0.15 C +ATOM 39 O TRP A 66 -4.016 4.330 -0.493 1.00 0.16 O +ATOM 40 CB TRP A 66 -1.896 6.147 0.129 1.00 0.37 C +ATOM 41 CG TRP A 66 -0.719 7.044 -0.134 1.00 0.29 C +ATOM 42 CD1 TRP A 66 0.065 7.051 -1.247 1.00 0.60 C +ATOM 43 CD2 TRP A 66 -0.193 8.058 0.734 1.00 0.73 C +ATOM 44 NE1 TRP A 66 1.048 8.005 -1.129 1.00 0.61 N +ATOM 45 CE2 TRP A 66 0.909 8.638 0.077 1.00 0.47 C +ATOM 46 CE3 TRP A 66 -0.548 8.535 1.998 1.00 1.45 C +ATOM 47 CZ2 TRP A 66 1.659 9.666 0.644 1.00 0.75 C +ATOM 48 CZ3 TRP A 66 0.197 9.555 2.560 1.00 1.79 C +ATOM 49 CH2 TRP A 66 1.290 10.110 1.882 1.00 1.41 C +ATOM 50 H TRP A 66 -3.563 8.593 -0.984 1.00 0.78 H +ATOM 51 HA TRP A 66 -2.909 6.562 -1.700 1.00 0.34 H +ATOM 52 HB2 TRP A 66 -2.112 6.176 1.188 1.00 0.59 H +ATOM 53 HB3 TRP A 66 -1.623 5.137 -0.151 1.00 0.60 H +ATOM 54 HD1 TRP A 66 -0.074 6.394 -2.091 1.00 1.05 H +ATOM 55 HE1 TRP A 66 1.734 8.204 -1.801 1.00 0.99 H +ATOM 56 HE3 TRP A 66 -1.387 8.118 2.537 1.00 1.77 H +ATOM 57 HZ2 TRP A 66 2.505 10.104 0.134 1.00 0.62 H +ATOM 58 HZ3 TRP A 66 -0.062 9.935 3.537 1.00 2.36 H +ATOM 59 HH2 TRP A 66 1.844 10.905 2.359 1.00 1.69 H +ATOM 60 N GLN A 67 -5.476 5.991 -0.186 1.00 0.25 N +ATOM 61 CA GLN A 67 -6.592 5.096 0.095 1.00 0.32 C +ATOM 62 C GLN A 67 -7.104 4.370 -1.154 1.00 0.31 C +ATOM 63 O GLN A 67 -7.484 3.204 -1.057 1.00 0.34 O +ATOM 64 CB GLN A 67 -7.714 5.838 0.807 1.00 0.42 C +ATOM 65 CG GLN A 67 -7.400 6.071 2.272 1.00 0.77 C +ATOM 66 CD GLN A 67 -8.394 6.987 2.956 1.00 1.15 C +ATOM 67 OE1 GLN A 67 -9.565 7.047 2.591 1.00 1.69 O +ATOM 68 NE2 GLN A 67 -7.926 7.710 3.961 1.00 1.75 N +ATOM 69 H GLN A 67 -5.627 6.956 -0.195 1.00 0.31 H +ATOM 70 HA GLN A 67 -6.216 4.343 0.773 1.00 0.34 H +ATOM 71 HB2 GLN A 67 -7.864 6.795 0.328 1.00 0.86 H +ATOM 72 HB3 GLN A 67 -8.622 5.258 0.739 1.00 0.76 H +ATOM 73 HG2 GLN A 67 -7.403 5.112 2.779 1.00 1.25 H +ATOM 74 HG3 GLN A 67 -6.416 6.509 2.347 1.00 1.16 H +ATOM 75 HE21 GLN A 67 -6.983 7.611 4.203 1.00 2.20 H +ATOM 76 HE22 GLN A 67 -8.546 8.323 4.423 1.00 2.05 H +ATOM 77 N PRO A 68 -7.137 5.013 -2.345 1.00 0.33 N +ATOM 78 CA PRO A 68 -7.392 4.285 -3.593 1.00 0.38 C +ATOM 79 C PRO A 68 -6.361 3.179 -3.786 1.00 0.31 C +ATOM 80 O PRO A 68 -6.653 2.110 -4.327 1.00 0.34 O +ATOM 81 CB PRO A 68 -7.243 5.352 -4.681 1.00 0.48 C +ATOM 82 CG PRO A 68 -7.475 6.648 -3.986 1.00 0.49 C +ATOM 83 CD PRO A 68 -6.990 6.464 -2.576 1.00 0.37 C +ATOM 84 HA PRO A 68 -8.389 3.865 -3.615 1.00 0.43 H +ATOM 85 HB2 PRO A 68 -6.249 5.302 -5.102 1.00 0.48 H +ATOM 86 HB3 PRO A 68 -7.976 5.184 -5.456 1.00 0.57 H +ATOM 87 HG2 PRO A 68 -6.913 7.431 -4.475 1.00 0.55 H +ATOM 88 HG3 PRO A 68 -8.529 6.883 -3.991 1.00 0.57 H +ATOM 89 HD2 PRO A 68 -5.956 6.765 -2.491 1.00 0.35 H +ATOM 90 HD3 PRO A 68 -7.605 7.025 -1.889 1.00 0.43 H +ATOM 91 N GLN A 69 -5.155 3.456 -3.302 1.00 0.26 N +ATOM 92 CA GLN A 69 -4.054 2.506 -3.330 1.00 0.24 C +ATOM 93 C GLN A 69 -4.271 1.427 -2.276 1.00 0.23 C +ATOM 94 O GLN A 69 -4.036 0.250 -2.529 1.00 0.32 O +ATOM 95 CB GLN A 69 -2.723 3.228 -3.084 1.00 0.22 C +ATOM 96 CG GLN A 69 -2.229 4.091 -4.244 1.00 0.30 C +ATOM 97 CD GLN A 69 -3.162 5.233 -4.605 1.00 0.69 C +ATOM 98 OE1 GLN A 69 -3.103 6.311 -4.014 1.00 1.47 O +ATOM 99 NE2 GLN A 69 -3.997 5.014 -5.606 1.00 1.45 N +ATOM 100 H GLN A 69 -5.004 4.339 -2.905 1.00 0.28 H +ATOM 101 HA GLN A 69 -4.029 2.033 -4.308 1.00 0.30 H +ATOM 102 HB2 GLN A 69 -2.832 3.865 -2.223 1.00 0.19 H +ATOM 103 HB3 GLN A 69 -1.965 2.491 -2.871 1.00 0.28 H +ATOM 104 HG2 GLN A 69 -1.270 4.506 -3.979 1.00 0.78 H +ATOM 105 HG3 GLN A 69 -2.112 3.459 -5.110 1.00 0.63 H +ATOM 106 HE21 GLN A 69 -3.965 4.137 -6.056 1.00 2.02 H +ATOM 107 HE22 GLN A 69 -4.610 5.736 -5.871 1.00 1.78 H +ATOM 108 N LEU A 70 -4.720 1.825 -1.091 1.00 0.20 N +ATOM 109 CA LEU A 70 -5.119 0.853 -0.076 1.00 0.25 C +ATOM 110 C LEU A 70 -6.126 -0.094 -0.685 1.00 0.25 C +ATOM 111 O LEU A 70 -5.995 -1.309 -0.589 1.00 0.28 O +ATOM 112 CB LEU A 70 -5.753 1.528 1.147 1.00 0.29 C +ATOM 113 CG LEU A 70 -4.923 2.621 1.786 1.00 0.30 C +ATOM 114 CD1 LEU A 70 -5.512 3.026 3.125 1.00 0.42 C +ATOM 115 CD2 LEU A 70 -3.466 2.199 1.934 1.00 0.35 C +ATOM 116 H LEU A 70 -4.760 2.787 -0.885 1.00 0.18 H +ATOM 117 HA LEU A 70 -4.245 0.297 0.227 1.00 0.30 H +ATOM 118 HB2 LEU A 70 -6.693 1.961 0.841 1.00 0.31 H +ATOM 119 HB3 LEU A 70 -5.954 0.780 1.894 1.00 0.37 H +ATOM 120 HG LEU A 70 -4.962 3.473 1.140 1.00 0.23 H +ATOM 121 HD11 LEU A 70 -5.530 2.171 3.785 1.00 0.99 H +ATOM 122 HD12 LEU A 70 -6.516 3.392 2.980 1.00 0.98 H +ATOM 123 HD13 LEU A 70 -4.904 3.804 3.563 1.00 1.12 H +ATOM 124 HD21 LEU A 70 -3.398 1.362 2.612 1.00 1.06 H +ATOM 125 HD22 LEU A 70 -2.889 3.026 2.322 1.00 1.08 H +ATOM 126 HD23 LEU A 70 -3.076 1.914 0.968 1.00 0.92 H +ATOM 127 N GLN A 71 -7.114 0.488 -1.353 1.00 0.26 N +ATOM 128 CA GLN A 71 -8.177 -0.268 -1.970 1.00 0.28 C +ATOM 129 C GLN A 71 -7.628 -1.198 -3.056 1.00 0.23 C +ATOM 130 O GLN A 71 -8.228 -2.222 -3.366 1.00 0.23 O +ATOM 131 CB GLN A 71 -9.211 0.691 -2.555 1.00 0.35 C +ATOM 132 CG GLN A 71 -10.480 0.014 -3.031 1.00 1.25 C +ATOM 133 CD GLN A 71 -11.202 -0.717 -1.917 1.00 1.82 C +ATOM 134 OE1 GLN A 71 -11.122 -0.332 -0.749 1.00 2.46 O +ATOM 135 NE2 GLN A 71 -11.919 -1.771 -2.267 1.00 2.48 N +ATOM 136 H GLN A 71 -7.132 1.469 -1.422 1.00 0.28 H +ATOM 137 HA GLN A 71 -8.642 -0.857 -1.197 1.00 0.35 H +ATOM 138 HB2 GLN A 71 -9.480 1.416 -1.802 1.00 0.69 H +ATOM 139 HB3 GLN A 71 -8.768 1.208 -3.395 1.00 0.97 H +ATOM 140 HG2 GLN A 71 -11.137 0.764 -3.437 1.00 1.98 H +ATOM 141 HG3 GLN A 71 -10.222 -0.697 -3.802 1.00 1.83 H +ATOM 142 HE21 GLN A 71 -11.943 -2.022 -3.214 1.00 2.67 H +ATOM 143 HE22 GLN A 71 -12.405 -2.257 -1.561 1.00 3.13 H +ATOM 144 N GLN A 72 -6.473 -0.840 -3.608 1.00 0.25 N +ATOM 145 CA GLN A 72 -5.807 -1.648 -4.613 1.00 0.27 C +ATOM 146 C GLN A 72 -5.349 -2.969 -4.011 1.00 0.29 C +ATOM 147 O GLN A 72 -5.316 -4.000 -4.681 1.00 0.42 O +ATOM 148 CB GLN A 72 -4.620 -0.872 -5.168 1.00 0.33 C +ATOM 149 CG GLN A 72 -4.938 -0.028 -6.387 1.00 1.05 C +ATOM 150 CD GLN A 72 -5.281 -0.867 -7.601 1.00 1.27 C +ATOM 151 OE1 GLN A 72 -4.401 -1.237 -8.377 1.00 2.02 O +ATOM 152 NE2 GLN A 72 -6.556 -1.176 -7.780 1.00 1.32 N +ATOM 153 H GLN A 72 -6.036 -0.016 -3.315 1.00 0.30 H +ATOM 154 HA GLN A 72 -6.504 -1.842 -5.406 1.00 0.29 H +ATOM 155 HB2 GLN A 72 -4.269 -0.210 -4.399 1.00 0.79 H +ATOM 156 HB3 GLN A 72 -3.836 -1.552 -5.419 1.00 0.88 H +ATOM 157 HG2 GLN A 72 -5.771 0.614 -6.155 1.00 1.44 H +ATOM 158 HG3 GLN A 72 -4.075 0.579 -6.620 1.00 1.50 H +ATOM 159 HE21 GLN A 72 -7.214 -0.850 -7.123 1.00 1.72 H +ATOM 160 HE22 GLN A 72 -6.796 -1.721 -8.564 1.00 1.45 H +ATOM 161 N LEU A 73 -5.011 -2.929 -2.730 1.00 0.23 N +ATOM 162 CA LEU A 73 -4.590 -4.121 -2.017 1.00 0.28 C +ATOM 163 C LEU A 73 -5.779 -4.755 -1.306 1.00 0.28 C +ATOM 164 O LEU A 73 -5.872 -5.976 -1.193 1.00 0.31 O +ATOM 165 CB LEU A 73 -3.482 -3.782 -1.019 1.00 0.38 C +ATOM 166 CG LEU A 73 -2.265 -3.077 -1.624 1.00 0.44 C +ATOM 167 CD1 LEU A 73 -1.105 -3.065 -0.642 1.00 0.83 C +ATOM 168 CD2 LEU A 73 -1.858 -3.736 -2.933 1.00 0.55 C +ATOM 169 H LEU A 73 -5.040 -2.070 -2.255 1.00 0.24 H +ATOM 170 HA LEU A 73 -4.208 -4.822 -2.744 1.00 0.30 H +ATOM 171 HB2 LEU A 73 -3.900 -3.143 -0.254 1.00 0.41 H +ATOM 172 HB3 LEU A 73 -3.148 -4.698 -0.558 1.00 0.42 H +ATOM 173 HG LEU A 73 -2.525 -2.049 -1.835 1.00 0.41 H +ATOM 174 HD11 LEU A 73 -1.407 -2.560 0.265 1.00 1.19 H +ATOM 175 HD12 LEU A 73 -0.268 -2.543 -1.081 1.00 1.60 H +ATOM 176 HD13 LEU A 73 -0.819 -4.080 -0.411 1.00 1.29 H +ATOM 177 HD21 LEU A 73 -2.673 -3.655 -3.640 1.00 0.95 H +ATOM 178 HD22 LEU A 73 -1.632 -4.776 -2.759 1.00 1.23 H +ATOM 179 HD23 LEU A 73 -0.987 -3.237 -3.331 1.00 1.13 H +ATOM 180 N ARG A 74 -6.698 -3.917 -0.841 1.00 0.29 N +ATOM 181 CA ARG A 74 -7.951 -4.383 -0.255 1.00 0.36 C +ATOM 182 C ARG A 74 -8.754 -5.166 -1.294 1.00 0.35 C +ATOM 183 O ARG A 74 -9.597 -5.998 -0.958 1.00 0.43 O +ATOM 184 CB ARG A 74 -8.749 -3.188 0.280 1.00 0.42 C +ATOM 185 CG ARG A 74 -8.015 -2.447 1.389 1.00 0.48 C +ATOM 186 CD ARG A 74 -8.427 -0.984 1.483 1.00 0.55 C +ATOM 187 NE ARG A 74 -9.734 -0.790 2.105 1.00 0.95 N +ATOM 188 CZ ARG A 74 -9.926 -0.037 3.188 1.00 1.09 C +ATOM 189 NH1 ARG A 74 -8.888 0.427 3.871 1.00 1.36 N +ATOM 190 NH2 ARG A 74 -11.153 0.217 3.616 1.00 1.50 N +ATOM 191 H ARG A 74 -6.519 -2.948 -0.876 1.00 0.28 H +ATOM 192 HA ARG A 74 -7.707 -5.039 0.566 1.00 0.41 H +ATOM 193 HB2 ARG A 74 -8.937 -2.498 -0.530 1.00 0.41 H +ATOM 194 HB3 ARG A 74 -9.692 -3.541 0.672 1.00 0.49 H +ATOM 195 HG2 ARG A 74 -8.232 -2.928 2.330 1.00 0.59 H +ATOM 196 HG3 ARG A 74 -6.953 -2.502 1.198 1.00 0.41 H +ATOM 197 HD2 ARG A 74 -7.681 -0.442 2.054 1.00 0.55 H +ATOM 198 HD3 ARG A 74 -8.460 -0.580 0.481 1.00 0.63 H +ATOM 199 HE ARG A 74 -10.510 -1.204 1.667 1.00 1.40 H +ATOM 200 HH11 ARG A 74 -7.945 0.201 3.584 1.00 1.47 H +ATOM 201 HH12 ARG A 74 -9.033 1.000 4.678 1.00 1.74 H +ATOM 202 HH21 ARG A 74 -11.950 -0.164 3.136 1.00 1.85 H +ATOM 203 HH22 ARG A 74 -11.293 0.794 4.430 1.00 1.65 H +ATOM 204 N ASP A 75 -8.462 -4.895 -2.561 1.00 0.32 N +ATOM 205 CA ASP A 75 -9.021 -5.654 -3.676 1.00 0.38 C +ATOM 206 C ASP A 75 -8.432 -7.061 -3.722 1.00 0.36 C +ATOM 207 O ASP A 75 -9.143 -8.036 -3.952 1.00 0.41 O +ATOM 208 CB ASP A 75 -8.734 -4.933 -4.996 1.00 0.45 C +ATOM 209 CG ASP A 75 -9.100 -5.761 -6.211 1.00 0.66 C +ATOM 210 OD1 ASP A 75 -10.258 -5.674 -6.667 1.00 0.83 O +ATOM 211 OD2 ASP A 75 -8.228 -6.494 -6.724 1.00 0.75 O +ATOM 212 H ASP A 75 -7.858 -4.145 -2.756 1.00 0.30 H +ATOM 213 HA ASP A 75 -10.091 -5.724 -3.534 1.00 0.45 H +ATOM 214 HB2 ASP A 75 -9.301 -4.014 -5.028 1.00 0.49 H +ATOM 215 HB3 ASP A 75 -7.679 -4.700 -5.047 1.00 0.40 H +ATOM 216 N MET A 76 -7.128 -7.160 -3.476 1.00 0.33 N +ATOM 217 CA MET A 76 -6.423 -8.434 -3.549 1.00 0.38 C +ATOM 218 C MET A 76 -6.666 -9.259 -2.290 1.00 0.46 C +ATOM 219 O MET A 76 -6.388 -10.457 -2.254 1.00 0.65 O +ATOM 220 CB MET A 76 -4.924 -8.193 -3.729 1.00 0.46 C +ATOM 221 CG MET A 76 -4.576 -7.432 -4.998 1.00 0.97 C +ATOM 222 SD MET A 76 -2.826 -7.009 -5.103 1.00 0.79 S +ATOM 223 CE MET A 76 -2.067 -8.633 -5.047 1.00 1.44 C +ATOM 224 H MET A 76 -6.626 -6.355 -3.228 1.00 0.33 H +ATOM 225 HA MET A 76 -6.798 -8.977 -4.404 1.00 0.40 H +ATOM 226 HB2 MET A 76 -4.560 -7.625 -2.885 1.00 1.19 H +ATOM 227 HB3 MET A 76 -4.416 -9.146 -3.755 1.00 1.13 H +ATOM 228 HG2 MET A 76 -4.835 -8.044 -5.849 1.00 1.60 H +ATOM 229 HG3 MET A 76 -5.154 -6.521 -5.024 1.00 1.67 H +ATOM 230 HE1 MET A 76 -0.992 -8.530 -5.080 1.00 1.97 H +ATOM 231 HE2 MET A 76 -2.397 -9.215 -5.895 1.00 1.71 H +ATOM 232 HE3 MET A 76 -2.354 -9.134 -4.133 1.00 2.11 H +ATOM 233 N GLY A 77 -7.192 -8.608 -1.264 1.00 0.40 N +ATOM 234 CA GLY A 77 -7.450 -9.279 -0.008 1.00 0.49 C +ATOM 235 C GLY A 77 -6.382 -8.981 1.020 1.00 0.43 C +ATOM 236 O GLY A 77 -6.198 -9.728 1.980 1.00 0.55 O +ATOM 237 H GLY A 77 -7.407 -7.659 -1.364 1.00 0.38 H +ATOM 238 HA2 GLY A 77 -8.405 -8.951 0.375 1.00 0.54 H +ATOM 239 HA3 GLY A 77 -7.486 -10.344 -0.178 1.00 0.61 H +ATOM 240 N ILE A 78 -5.666 -7.886 0.813 1.00 0.32 N +ATOM 241 CA ILE A 78 -4.609 -7.480 1.726 1.00 0.29 C +ATOM 242 C ILE A 78 -5.198 -6.644 2.855 1.00 0.30 C +ATOM 243 O ILE A 78 -5.809 -5.603 2.607 1.00 0.43 O +ATOM 244 CB ILE A 78 -3.511 -6.661 1.006 1.00 0.33 C +ATOM 245 CG1 ILE A 78 -3.105 -7.336 -0.312 1.00 0.52 C +ATOM 246 CG2 ILE A 78 -2.297 -6.479 1.909 1.00 0.47 C +ATOM 247 CD1 ILE A 78 -2.674 -8.779 -0.164 1.00 0.50 C +ATOM 248 H ILE A 78 -5.856 -7.330 0.027 1.00 0.32 H +ATOM 249 HA ILE A 78 -4.159 -8.372 2.140 1.00 0.33 H +ATOM 250 HB ILE A 78 -3.913 -5.682 0.787 1.00 0.40 H +ATOM 251 HG12 ILE A 78 -3.943 -7.313 -0.992 1.00 0.82 H +ATOM 252 HG13 ILE A 78 -2.282 -6.787 -0.748 1.00 0.94 H +ATOM 253 HG21 ILE A 78 -1.884 -7.446 2.156 1.00 1.11 H +ATOM 254 HG22 ILE A 78 -2.596 -5.974 2.816 1.00 1.13 H +ATOM 255 HG23 ILE A 78 -1.551 -5.889 1.398 1.00 1.02 H +ATOM 256 HD11 ILE A 78 -1.809 -8.833 0.479 1.00 0.98 H +ATOM 257 HD12 ILE A 78 -2.429 -9.180 -1.135 1.00 1.14 H +ATOM 258 HD13 ILE A 78 -3.484 -9.350 0.268 1.00 1.11 H +ATOM 259 N GLN A 79 -5.024 -7.103 4.084 1.00 0.31 N +ATOM 260 CA GLN A 79 -5.580 -6.411 5.239 1.00 0.43 C +ATOM 261 C GLN A 79 -4.551 -5.477 5.856 1.00 0.34 C +ATOM 262 O GLN A 79 -4.871 -4.680 6.739 1.00 0.42 O +ATOM 263 CB GLN A 79 -6.044 -7.407 6.295 1.00 0.64 C +ATOM 264 CG GLN A 79 -4.887 -8.083 6.989 1.00 1.08 C +ATOM 265 CD GLN A 79 -5.319 -9.023 8.095 1.00 1.99 C +ATOM 266 OE1 GLN A 79 -4.659 -10.021 8.371 1.00 2.78 O +ATOM 267 NE2 GLN A 79 -6.427 -8.705 8.742 1.00 2.43 N +ATOM 268 H GLN A 79 -4.499 -7.929 4.219 1.00 0.33 H +ATOM 269 HA GLN A 79 -6.420 -5.836 4.913 1.00 0.53 H +ATOM 270 HB2 GLN A 79 -6.635 -6.888 7.036 1.00 0.88 H +ATOM 271 HB3 GLN A 79 -6.651 -8.166 5.824 1.00 0.85 H +ATOM 272 HG2 GLN A 79 -4.334 -8.639 6.252 1.00 1.48 H +ATOM 273 HG3 GLN A 79 -4.255 -7.312 7.408 1.00 1.32 H +ATOM 274 HE21 GLN A 79 -6.902 -7.887 8.476 1.00 2.37 H +ATOM 275 HE22 GLN A 79 -6.732 -9.299 9.459 1.00 3.12 H +ATOM 276 N ASP A 80 -3.313 -5.586 5.396 1.00 0.34 N +ATOM 277 CA ASP A 80 -2.206 -4.846 5.978 1.00 0.33 C +ATOM 278 C ASP A 80 -2.193 -3.400 5.486 1.00 0.34 C +ATOM 279 O ASP A 80 -1.261 -2.963 4.816 1.00 0.37 O +ATOM 280 CB ASP A 80 -0.882 -5.545 5.649 1.00 0.45 C +ATOM 281 CG ASP A 80 -0.886 -7.007 6.041 1.00 0.60 C +ATOM 282 OD1 ASP A 80 -0.557 -7.311 7.208 1.00 0.77 O +ATOM 283 OD2 ASP A 80 -1.226 -7.852 5.189 1.00 0.76 O +ATOM 284 H ASP A 80 -3.134 -6.190 4.647 1.00 0.45 H +ATOM 285 HA ASP A 80 -2.341 -4.844 7.049 1.00 0.38 H +ATOM 286 HB2 ASP A 80 -0.694 -5.477 4.587 1.00 0.54 H +ATOM 287 HB3 ASP A 80 -0.084 -5.056 6.184 1.00 0.49 H +ATOM 288 N ASP A 81 -3.246 -2.670 5.827 1.00 0.41 N +ATOM 289 CA ASP A 81 -3.375 -1.256 5.479 1.00 0.52 C +ATOM 290 C ASP A 81 -2.284 -0.432 6.151 1.00 0.48 C +ATOM 291 O ASP A 81 -1.713 0.471 5.538 1.00 0.53 O +ATOM 292 CB ASP A 81 -4.746 -0.716 5.899 1.00 0.72 C +ATOM 293 CG ASP A 81 -5.880 -1.168 4.995 1.00 1.09 C +ATOM 294 OD1 ASP A 81 -6.341 -2.320 5.142 1.00 1.38 O +ATOM 295 OD2 ASP A 81 -6.329 -0.360 4.151 1.00 1.68 O +ATOM 296 H ASP A 81 -3.972 -3.103 6.320 1.00 0.44 H +ATOM 297 HA ASP A 81 -3.273 -1.165 4.407 1.00 0.58 H +ATOM 298 HB2 ASP A 81 -4.960 -1.054 6.901 1.00 1.41 H +ATOM 299 HB3 ASP A 81 -4.714 0.364 5.891 1.00 1.36 H +ATOM 300 N GLU A 82 -1.988 -0.763 7.409 1.00 0.44 N +ATOM 301 CA GLU A 82 -0.961 -0.055 8.178 1.00 0.52 C +ATOM 302 C GLU A 82 0.377 -0.204 7.462 1.00 0.40 C +ATOM 303 O GLU A 82 1.147 0.744 7.319 1.00 0.52 O +ATOM 304 CB GLU A 82 -0.890 -0.642 9.595 1.00 0.68 C +ATOM 305 CG GLU A 82 -0.260 0.271 10.642 1.00 1.52 C +ATOM 306 CD GLU A 82 1.242 0.408 10.512 1.00 2.05 C +ATOM 307 OE1 GLU A 82 1.958 -0.581 10.766 1.00 2.55 O +ATOM 308 OE2 GLU A 82 1.717 1.515 10.182 1.00 2.65 O +ATOM 309 H GLU A 82 -2.465 -1.517 7.828 1.00 0.43 H +ATOM 310 HA GLU A 82 -1.229 0.990 8.228 1.00 0.65 H +ATOM 311 HB2 GLU A 82 -1.893 -0.875 9.921 1.00 0.94 H +ATOM 312 HB3 GLU A 82 -0.316 -1.557 9.558 1.00 1.31 H +ATOM 313 HG2 GLU A 82 -0.698 1.254 10.548 1.00 2.13 H +ATOM 314 HG3 GLU A 82 -0.484 -0.125 11.621 1.00 2.15 H +ATOM 315 N LEU A 83 0.616 -1.419 7.006 1.00 0.29 N +ATOM 316 CA LEU A 83 1.775 -1.754 6.205 1.00 0.27 C +ATOM 317 C LEU A 83 1.752 -0.973 4.883 1.00 0.25 C +ATOM 318 O LEU A 83 2.684 -0.226 4.570 1.00 0.32 O +ATOM 319 CB LEU A 83 1.747 -3.280 5.980 1.00 0.27 C +ATOM 320 CG LEU A 83 2.672 -3.885 4.912 1.00 0.38 C +ATOM 321 CD1 LEU A 83 1.987 -3.845 3.553 1.00 0.41 C +ATOM 322 CD2 LEU A 83 4.026 -3.182 4.873 1.00 0.48 C +ATOM 323 H LEU A 83 -0.024 -2.128 7.218 1.00 0.35 H +ATOM 324 HA LEU A 83 2.661 -1.490 6.762 1.00 0.36 H +ATOM 325 HB2 LEU A 83 1.966 -3.763 6.918 1.00 0.32 H +ATOM 326 HB3 LEU A 83 0.732 -3.533 5.710 1.00 0.23 H +ATOM 327 HG LEU A 83 2.848 -4.925 5.154 1.00 0.42 H +ATOM 328 HD11 LEU A 83 1.070 -4.419 3.597 1.00 0.97 H +ATOM 329 HD12 LEU A 83 2.641 -4.264 2.803 1.00 1.07 H +ATOM 330 HD13 LEU A 83 1.751 -2.820 3.298 1.00 1.09 H +ATOM 331 HD21 LEU A 83 4.518 -3.297 5.829 1.00 1.00 H +ATOM 332 HD22 LEU A 83 3.879 -2.133 4.668 1.00 0.94 H +ATOM 333 HD23 LEU A 83 4.637 -3.619 4.098 1.00 1.05 H +ATOM 334 N SER A 84 0.665 -1.135 4.137 1.00 0.26 N +ATOM 335 CA SER A 84 0.545 -0.589 2.792 1.00 0.36 C +ATOM 336 C SER A 84 0.758 0.919 2.766 1.00 0.28 C +ATOM 337 O SER A 84 1.579 1.410 2.001 1.00 0.24 O +ATOM 338 CB SER A 84 -0.820 -0.955 2.211 1.00 0.55 C +ATOM 339 OG SER A 84 -1.065 -0.296 0.981 1.00 0.84 O +ATOM 340 H SER A 84 -0.091 -1.645 4.508 1.00 0.26 H +ATOM 341 HA SER A 84 1.310 -1.050 2.184 1.00 0.45 H +ATOM 342 HB2 SER A 84 -0.857 -2.021 2.039 1.00 0.54 H +ATOM 343 HB3 SER A 84 -1.586 -0.683 2.913 1.00 0.56 H +ATOM 344 HG SER A 84 -0.790 -0.861 0.253 1.00 0.80 H +ATOM 345 N LEU A 85 0.047 1.641 3.626 1.00 0.28 N +ATOM 346 CA LEU A 85 0.131 3.102 3.669 1.00 0.27 C +ATOM 347 C LEU A 85 1.594 3.551 3.772 1.00 0.23 C +ATOM 348 O LEU A 85 1.995 4.543 3.165 1.00 0.24 O +ATOM 349 CB LEU A 85 -0.674 3.620 4.869 1.00 0.31 C +ATOM 350 CG LEU A 85 -1.306 5.015 4.731 1.00 0.33 C +ATOM 351 CD1 LEU A 85 -0.250 6.092 4.565 1.00 0.36 C +ATOM 352 CD2 LEU A 85 -2.279 5.047 3.568 1.00 0.33 C +ATOM 353 H LEU A 85 -0.556 1.180 4.254 1.00 0.31 H +ATOM 354 HA LEU A 85 -0.293 3.495 2.754 1.00 0.28 H +ATOM 355 HB2 LEU A 85 -1.467 2.915 5.068 1.00 0.35 H +ATOM 356 HB3 LEU A 85 -0.016 3.636 5.721 1.00 0.32 H +ATOM 357 HG LEU A 85 -1.860 5.235 5.631 1.00 0.37 H +ATOM 358 HD11 LEU A 85 0.362 5.861 3.706 1.00 1.14 H +ATOM 359 HD12 LEU A 85 0.367 6.132 5.450 1.00 1.04 H +ATOM 360 HD13 LEU A 85 -0.731 7.048 4.417 1.00 0.95 H +ATOM 361 HD21 LEU A 85 -1.756 4.801 2.654 1.00 0.99 H +ATOM 362 HD22 LEU A 85 -2.708 6.034 3.482 1.00 1.00 H +ATOM 363 HD23 LEU A 85 -3.065 4.325 3.737 1.00 0.92 H +ATOM 364 N ARG A 86 2.401 2.778 4.492 1.00 0.20 N +ATOM 365 CA ARG A 86 3.800 3.132 4.703 1.00 0.19 C +ATOM 366 C ARG A 86 4.632 2.814 3.467 1.00 0.16 C +ATOM 367 O ARG A 86 5.515 3.584 3.088 1.00 0.20 O +ATOM 368 CB ARG A 86 4.373 2.425 5.933 1.00 0.24 C +ATOM 369 CG ARG A 86 3.993 3.097 7.243 1.00 0.41 C +ATOM 370 CD ARG A 86 4.680 2.441 8.429 1.00 0.53 C +ATOM 371 NE ARG A 86 4.069 1.163 8.785 1.00 1.09 N +ATOM 372 CZ ARG A 86 4.719 0.001 8.820 1.00 1.46 C +ATOM 373 NH1 ARG A 86 6.002 -0.062 8.482 1.00 1.35 N +ATOM 374 NH2 ARG A 86 4.085 -1.094 9.210 1.00 2.37 N +ATOM 375 H ARG A 86 2.054 1.936 4.857 1.00 0.22 H +ATOM 376 HA ARG A 86 3.840 4.199 4.870 1.00 0.24 H +ATOM 377 HB2 ARG A 86 4.008 1.408 5.953 1.00 0.31 H +ATOM 378 HB3 ARG A 86 5.450 2.410 5.859 1.00 0.29 H +ATOM 379 HG2 ARG A 86 4.284 4.135 7.201 1.00 0.47 H +ATOM 380 HG3 ARG A 86 2.922 3.027 7.374 1.00 0.50 H +ATOM 381 HD2 ARG A 86 5.717 2.274 8.180 1.00 1.15 H +ATOM 382 HD3 ARG A 86 4.618 3.106 9.277 1.00 1.02 H +ATOM 383 HE ARG A 86 3.111 1.179 9.037 1.00 1.65 H +ATOM 384 HH11 ARG A 86 6.492 0.763 8.201 1.00 1.30 H +ATOM 385 HH12 ARG A 86 6.493 -0.946 8.517 1.00 1.79 H +ATOM 386 HH21 ARG A 86 3.115 -1.044 9.490 1.00 2.85 H +ATOM 387 HH22 ARG A 86 4.561 -1.982 9.232 1.00 2.69 H +ATOM 388 N ALA A 87 4.338 1.688 2.829 1.00 0.16 N +ATOM 389 CA ALA A 87 4.980 1.338 1.572 1.00 0.19 C +ATOM 390 C ALA A 87 4.612 2.357 0.502 1.00 0.16 C +ATOM 391 O ALA A 87 5.383 2.642 -0.413 1.00 0.19 O +ATOM 392 CB ALA A 87 4.563 -0.061 1.149 1.00 0.25 C +ATOM 393 H ALA A 87 3.669 1.078 3.210 1.00 0.18 H +ATOM 394 HA ALA A 87 6.049 1.348 1.722 1.00 0.22 H +ATOM 395 HB1 ALA A 87 4.997 -0.293 0.188 1.00 0.87 H +ATOM 396 HB2 ALA A 87 3.483 -0.112 1.081 1.00 1.07 H +ATOM 397 HB3 ALA A 87 4.908 -0.776 1.882 1.00 0.92 H +ATOM 398 N LEU A 88 3.418 2.903 0.643 1.00 0.14 N +ATOM 399 CA LEU A 88 2.920 3.943 -0.238 1.00 0.14 C +ATOM 400 C LEU A 88 3.660 5.258 -0.015 1.00 0.15 C +ATOM 401 O LEU A 88 4.093 5.904 -0.970 1.00 0.18 O +ATOM 402 CB LEU A 88 1.427 4.134 -0.002 1.00 0.17 C +ATOM 403 CG LEU A 88 0.504 3.290 -0.880 1.00 0.19 C +ATOM 404 CD1 LEU A 88 0.566 3.779 -2.316 1.00 0.25 C +ATOM 405 CD2 LEU A 88 0.864 1.813 -0.825 1.00 0.18 C +ATOM 406 H LEU A 88 2.833 2.578 1.367 1.00 0.16 H +ATOM 407 HA LEU A 88 3.078 3.620 -1.255 1.00 0.16 H +ATOM 408 HB2 LEU A 88 1.217 3.899 1.030 1.00 0.17 H +ATOM 409 HB3 LEU A 88 1.189 5.174 -0.170 1.00 0.19 H +ATOM 410 HG LEU A 88 -0.506 3.401 -0.518 1.00 0.21 H +ATOM 411 HD11 LEU A 88 1.577 3.687 -2.684 1.00 1.04 H +ATOM 412 HD12 LEU A 88 0.261 4.814 -2.358 1.00 0.93 H +ATOM 413 HD13 LEU A 88 -0.095 3.183 -2.929 1.00 0.98 H +ATOM 414 HD21 LEU A 88 0.180 1.251 -1.444 1.00 0.93 H +ATOM 415 HD22 LEU A 88 0.797 1.463 0.195 1.00 1.02 H +ATOM 416 HD23 LEU A 88 1.872 1.675 -1.187 1.00 0.87 H +ATOM 417 N GLN A 89 3.794 5.651 1.246 1.00 0.17 N +ATOM 418 CA GLN A 89 4.557 6.838 1.607 1.00 0.21 C +ATOM 419 C GLN A 89 5.994 6.734 1.100 1.00 0.20 C +ATOM 420 O GLN A 89 6.562 7.709 0.607 1.00 0.27 O +ATOM 421 CB GLN A 89 4.554 7.024 3.125 1.00 0.28 C +ATOM 422 CG GLN A 89 3.182 7.320 3.707 1.00 0.83 C +ATOM 423 CD GLN A 89 3.180 7.328 5.226 1.00 1.19 C +ATOM 424 OE1 GLN A 89 2.965 6.295 5.864 1.00 1.95 O +ATOM 425 NE2 GLN A 89 3.411 8.488 5.818 1.00 1.51 N +ATOM 426 H GLN A 89 3.350 5.137 1.957 1.00 0.18 H +ATOM 427 HA GLN A 89 4.084 7.692 1.145 1.00 0.25 H +ATOM 428 HB2 GLN A 89 4.930 6.123 3.586 1.00 0.69 H +ATOM 429 HB3 GLN A 89 5.208 7.842 3.371 1.00 0.85 H +ATOM 430 HG2 GLN A 89 2.858 8.287 3.357 1.00 1.15 H +ATOM 431 HG3 GLN A 89 2.490 6.563 3.364 1.00 1.21 H +ATOM 432 HE21 GLN A 89 3.571 9.279 5.255 1.00 1.99 H +ATOM 433 HE22 GLN A 89 3.410 8.516 6.799 1.00 1.73 H +ATOM 434 N ALA A 90 6.562 5.538 1.206 1.00 0.18 N +ATOM 435 CA ALA A 90 7.937 5.295 0.789 1.00 0.22 C +ATOM 436 C ALA A 90 8.106 5.413 -0.724 1.00 0.23 C +ATOM 437 O ALA A 90 9.145 5.862 -1.206 1.00 0.36 O +ATOM 438 CB ALA A 90 8.389 3.924 1.262 1.00 0.28 C +ATOM 439 H ALA A 90 6.045 4.798 1.594 1.00 0.18 H +ATOM 440 HA ALA A 90 8.563 6.033 1.266 1.00 0.26 H +ATOM 441 HB1 ALA A 90 9.440 3.794 1.042 1.00 1.01 H +ATOM 442 HB2 ALA A 90 7.819 3.162 0.753 1.00 1.03 H +ATOM 443 HB3 ALA A 90 8.232 3.840 2.326 1.00 0.95 H +ATOM 444 N THR A 91 7.087 5.012 -1.468 1.00 0.20 N +ATOM 445 CA THR A 91 7.160 5.032 -2.921 1.00 0.22 C +ATOM 446 C THR A 91 6.737 6.386 -3.479 1.00 0.25 C +ATOM 447 O THR A 91 7.275 6.850 -4.484 1.00 0.50 O +ATOM 448 CB THR A 91 6.282 3.926 -3.533 1.00 0.27 C +ATOM 449 OG1 THR A 91 4.950 4.009 -3.010 1.00 0.30 O +ATOM 450 CG2 THR A 91 6.860 2.560 -3.222 1.00 0.32 C +ATOM 451 H THR A 91 6.270 4.692 -1.033 1.00 0.25 H +ATOM 452 HA THR A 91 8.186 4.843 -3.203 1.00 0.24 H +ATOM 453 HB THR A 91 6.255 4.055 -4.605 1.00 0.31 H +ATOM 454 HG1 THR A 91 4.824 3.308 -2.357 1.00 0.56 H +ATOM 455 HG21 THR A 91 6.930 2.436 -2.151 1.00 0.93 H +ATOM 456 HG22 THR A 91 7.843 2.476 -3.659 1.00 0.94 H +ATOM 457 HG23 THR A 91 6.217 1.795 -3.632 1.00 1.05 H +ATOM 458 N GLY A 92 5.781 7.018 -2.815 1.00 0.25 N +ATOM 459 CA GLY A 92 5.271 8.290 -3.277 1.00 0.26 C +ATOM 460 C GLY A 92 3.825 8.186 -3.710 1.00 0.29 C +ATOM 461 O GLY A 92 3.160 9.194 -3.946 1.00 0.60 O +ATOM 462 H GLY A 92 5.411 6.610 -1.998 1.00 0.40 H +ATOM 463 HA2 GLY A 92 5.348 9.013 -2.477 1.00 0.27 H +ATOM 464 HA3 GLY A 92 5.865 8.625 -4.114 1.00 0.31 H +ATOM 465 N GLY A 93 3.331 6.960 -3.787 1.00 0.19 N +ATOM 466 CA GLY A 93 1.964 6.739 -4.201 1.00 0.20 C +ATOM 467 C GLY A 93 1.856 5.741 -5.333 1.00 0.22 C +ATOM 468 O GLY A 93 1.092 5.943 -6.278 1.00 0.37 O +ATOM 469 H GLY A 93 3.901 6.197 -3.551 1.00 0.37 H +ATOM 470 HA2 GLY A 93 1.401 6.368 -3.357 1.00 0.22 H +ATOM 471 HA3 GLY A 93 1.538 7.678 -4.519 1.00 0.23 H +ATOM 472 N ASP A 94 2.619 4.660 -5.245 1.00 0.16 N +ATOM 473 CA ASP A 94 2.549 3.605 -6.242 1.00 0.20 C +ATOM 474 C ASP A 94 2.381 2.259 -5.558 1.00 0.19 C +ATOM 475 O ASP A 94 3.030 1.974 -4.554 1.00 0.26 O +ATOM 476 CB ASP A 94 3.799 3.580 -7.126 1.00 0.24 C +ATOM 477 CG ASP A 94 3.614 2.674 -8.330 1.00 0.33 C +ATOM 478 OD1 ASP A 94 2.872 3.060 -9.262 1.00 0.56 O +ATOM 479 OD2 ASP A 94 4.182 1.568 -8.341 1.00 0.29 O +ATOM 480 H ASP A 94 3.234 4.561 -4.489 1.00 0.15 H +ATOM 481 HA ASP A 94 1.682 3.792 -6.860 1.00 0.25 H +ATOM 482 HB2 ASP A 94 4.013 4.577 -7.474 1.00 0.27 H +ATOM 483 HB3 ASP A 94 4.634 3.214 -6.549 1.00 0.22 H +ATOM 484 N ILE A 95 1.505 1.444 -6.117 1.00 0.19 N +ATOM 485 CA ILE A 95 1.171 0.147 -5.554 1.00 0.21 C +ATOM 486 C ILE A 95 2.164 -0.908 -5.989 1.00 0.21 C +ATOM 487 O ILE A 95 2.687 -1.664 -5.175 1.00 0.22 O +ATOM 488 CB ILE A 95 -0.243 -0.263 -5.996 1.00 0.26 C +ATOM 489 CG1 ILE A 95 -1.264 0.562 -5.230 1.00 0.27 C +ATOM 490 CG2 ILE A 95 -0.486 -1.756 -5.792 1.00 0.31 C +ATOM 491 CD1 ILE A 95 -1.347 0.189 -3.773 1.00 0.29 C +ATOM 492 H ILE A 95 1.074 1.716 -6.958 1.00 0.24 H +ATOM 493 HA ILE A 95 1.183 0.228 -4.478 1.00 0.21 H +ATOM 494 HB ILE A 95 -0.343 -0.050 -7.050 1.00 0.28 H +ATOM 495 HG12 ILE A 95 -0.987 1.609 -5.281 1.00 0.26 H +ATOM 496 HG13 ILE A 95 -2.234 0.424 -5.673 1.00 0.31 H +ATOM 497 HG21 ILE A 95 -1.477 -2.011 -6.136 1.00 1.06 H +ATOM 498 HG22 ILE A 95 -0.398 -1.995 -4.743 1.00 1.08 H +ATOM 499 HG23 ILE A 95 0.247 -2.320 -6.352 1.00 0.95 H +ATOM 500 HD11 ILE A 95 -2.126 0.771 -3.299 1.00 0.82 H +ATOM 501 HD12 ILE A 95 -0.400 0.390 -3.297 1.00 1.02 H +ATOM 502 HD13 ILE A 95 -1.579 -0.863 -3.688 1.00 0.97 H +ATOM 503 N GLN A 96 2.426 -0.940 -7.275 1.00 0.21 N +ATOM 504 CA GLN A 96 3.340 -1.914 -7.846 1.00 0.25 C +ATOM 505 C GLN A 96 4.738 -1.774 -7.249 1.00 0.19 C +ATOM 506 O GLN A 96 5.445 -2.765 -7.063 1.00 0.23 O +ATOM 507 CB GLN A 96 3.370 -1.756 -9.356 1.00 0.36 C +ATOM 508 CG GLN A 96 2.050 -2.121 -10.010 1.00 0.45 C +ATOM 509 CD GLN A 96 2.029 -1.853 -11.496 1.00 1.22 C +ATOM 510 OE1 GLN A 96 3.056 -1.926 -12.172 1.00 1.89 O +ATOM 511 NE2 GLN A 96 0.853 -1.533 -12.011 1.00 2.05 N +ATOM 512 H GLN A 96 1.986 -0.283 -7.864 1.00 0.21 H +ATOM 513 HA GLN A 96 2.959 -2.898 -7.607 1.00 0.29 H +ATOM 514 HB2 GLN A 96 3.595 -0.724 -9.590 1.00 0.39 H +ATOM 515 HB3 GLN A 96 4.142 -2.389 -9.763 1.00 0.45 H +ATOM 516 HG2 GLN A 96 1.863 -3.173 -9.849 1.00 0.90 H +ATOM 517 HG3 GLN A 96 1.262 -1.545 -9.546 1.00 0.95 H +ATOM 518 HE21 GLN A 96 0.079 -1.494 -11.403 1.00 2.38 H +ATOM 519 HE22 GLN A 96 0.801 -1.341 -12.973 1.00 2.65 H +ATOM 520 N ALA A 97 5.126 -0.542 -6.946 1.00 0.19 N +ATOM 521 CA ALA A 97 6.383 -0.281 -6.257 1.00 0.16 C +ATOM 522 C ALA A 97 6.247 -0.572 -4.763 1.00 0.14 C +ATOM 523 O ALA A 97 7.214 -0.949 -4.102 1.00 0.15 O +ATOM 524 CB ALA A 97 6.824 1.158 -6.486 1.00 0.19 C +ATOM 525 H ALA A 97 4.558 0.219 -7.216 1.00 0.24 H +ATOM 526 HA ALA A 97 7.134 -0.936 -6.676 1.00 0.18 H +ATOM 527 HB1 ALA A 97 7.751 1.339 -5.963 1.00 0.86 H +ATOM 528 HB2 ALA A 97 6.064 1.835 -6.116 1.00 0.93 H +ATOM 529 HB3 ALA A 97 6.968 1.327 -7.542 1.00 0.77 H +ATOM 530 N ALA A 98 5.038 -0.408 -4.233 1.00 0.15 N +ATOM 531 CA ALA A 98 4.786 -0.648 -2.816 1.00 0.16 C +ATOM 532 C ALA A 98 5.021 -2.108 -2.461 1.00 0.18 C +ATOM 533 O ALA A 98 5.666 -2.402 -1.463 1.00 0.24 O +ATOM 534 CB ALA A 98 3.373 -0.235 -2.436 1.00 0.22 C +ATOM 535 H ALA A 98 4.298 -0.121 -4.810 1.00 0.19 H +ATOM 536 HA ALA A 98 5.477 -0.040 -2.250 1.00 0.19 H +ATOM 537 HB1 ALA A 98 3.208 0.792 -2.728 1.00 0.90 H +ATOM 538 HB2 ALA A 98 3.246 -0.328 -1.366 1.00 1.00 H +ATOM 539 HB3 ALA A 98 2.661 -0.873 -2.939 1.00 0.99 H +ATOM 540 N LEU A 99 4.512 -3.021 -3.291 1.00 0.22 N +ATOM 541 CA LEU A 99 4.705 -4.456 -3.082 1.00 0.28 C +ATOM 542 C LEU A 99 6.183 -4.839 -3.068 1.00 0.27 C +ATOM 543 O LEU A 99 6.541 -5.927 -2.631 1.00 0.36 O +ATOM 544 CB LEU A 99 3.973 -5.266 -4.158 1.00 0.35 C +ATOM 545 CG LEU A 99 2.483 -5.509 -3.897 1.00 0.74 C +ATOM 546 CD1 LEU A 99 1.674 -4.231 -4.033 1.00 1.61 C +ATOM 547 CD2 LEU A 99 1.946 -6.581 -4.831 1.00 1.21 C +ATOM 548 H LEU A 99 3.976 -2.723 -4.059 1.00 0.26 H +ATOM 549 HA LEU A 99 4.284 -4.704 -2.122 1.00 0.34 H +ATOM 550 HB2 LEU A 99 4.072 -4.745 -5.100 1.00 0.42 H +ATOM 551 HB3 LEU A 99 4.459 -6.225 -4.247 1.00 0.39 H +ATOM 552 HG LEU A 99 2.366 -5.859 -2.886 1.00 1.63 H +ATOM 553 HD11 LEU A 99 0.629 -4.447 -3.858 1.00 2.02 H +ATOM 554 HD12 LEU A 99 1.796 -3.832 -5.030 1.00 2.17 H +ATOM 555 HD13 LEU A 99 2.016 -3.507 -3.310 1.00 2.23 H +ATOM 556 HD21 LEU A 99 2.065 -6.256 -5.854 1.00 1.72 H +ATOM 557 HD22 LEU A 99 0.899 -6.748 -4.626 1.00 1.89 H +ATOM 558 HD23 LEU A 99 2.495 -7.498 -4.679 1.00 1.73 H +ATOM 559 N GLU A 100 7.033 -3.929 -3.518 1.00 0.24 N +ATOM 560 CA GLU A 100 8.466 -4.166 -3.565 1.00 0.28 C +ATOM 561 C GLU A 100 9.095 -3.631 -2.291 1.00 0.32 C +ATOM 562 O GLU A 100 9.988 -4.245 -1.707 1.00 0.40 O +ATOM 563 CB GLU A 100 9.074 -3.489 -4.793 1.00 0.29 C +ATOM 564 CG GLU A 100 8.386 -3.884 -6.089 1.00 0.35 C +ATOM 565 CD GLU A 100 8.983 -3.207 -7.301 1.00 1.21 C +ATOM 566 OE1 GLU A 100 8.591 -2.066 -7.610 1.00 2.20 O +ATOM 567 OE2 GLU A 100 9.846 -3.822 -7.963 1.00 1.22 O +ATOM 568 H GLU A 100 6.686 -3.060 -3.792 1.00 0.21 H +ATOM 569 HA GLU A 100 8.631 -5.232 -3.622 1.00 0.33 H +ATOM 570 HB2 GLU A 100 8.995 -2.418 -4.679 1.00 0.25 H +ATOM 571 HB3 GLU A 100 10.116 -3.762 -4.865 1.00 0.37 H +ATOM 572 HG2 GLU A 100 8.475 -4.953 -6.216 1.00 0.89 H +ATOM 573 HG3 GLU A 100 7.342 -3.617 -6.023 1.00 0.90 H +ATOM 574 N LEU A 101 8.595 -2.483 -1.859 1.00 0.31 N +ATOM 575 CA LEU A 101 8.956 -1.917 -0.573 1.00 0.35 C +ATOM 576 C LEU A 101 8.522 -2.862 0.539 1.00 0.39 C +ATOM 577 O LEU A 101 9.252 -3.080 1.504 1.00 0.50 O +ATOM 578 CB LEU A 101 8.295 -0.545 -0.402 1.00 0.37 C +ATOM 579 CG LEU A 101 9.106 0.655 -0.909 1.00 0.74 C +ATOM 580 CD1 LEU A 101 10.273 0.937 0.018 1.00 1.41 C +ATOM 581 CD2 LEU A 101 9.615 0.414 -2.322 1.00 1.16 C +ATOM 582 H LEU A 101 7.961 -1.995 -2.429 1.00 0.30 H +ATOM 583 HA LEU A 101 10.028 -1.804 -0.545 1.00 0.38 H +ATOM 584 HB2 LEU A 101 7.353 -0.559 -0.930 1.00 0.47 H +ATOM 585 HB3 LEU A 101 8.095 -0.398 0.644 1.00 0.68 H +ATOM 586 HG LEU A 101 8.473 1.529 -0.924 1.00 1.49 H +ATOM 587 HD11 LEU A 101 10.848 1.765 -0.371 1.00 2.17 H +ATOM 588 HD12 LEU A 101 10.902 0.062 0.083 1.00 1.62 H +ATOM 589 HD13 LEU A 101 9.901 1.188 1.000 1.00 1.91 H +ATOM 590 HD21 LEU A 101 8.779 0.230 -2.980 1.00 1.65 H +ATOM 591 HD22 LEU A 101 10.273 -0.443 -2.324 1.00 1.66 H +ATOM 592 HD23 LEU A 101 10.157 1.284 -2.663 1.00 1.77 H +ATOM 593 N ILE A 102 7.330 -3.430 0.379 1.00 0.35 N +ATOM 594 CA ILE A 102 6.809 -4.423 1.306 1.00 0.41 C +ATOM 595 C ILE A 102 7.635 -5.701 1.233 1.00 0.49 C +ATOM 596 O ILE A 102 7.974 -6.305 2.250 1.00 0.54 O +ATOM 597 CB ILE A 102 5.338 -4.766 0.993 1.00 0.40 C +ATOM 598 CG1 ILE A 102 4.473 -3.511 1.062 1.00 0.34 C +ATOM 599 CG2 ILE A 102 4.810 -5.817 1.965 1.00 0.49 C +ATOM 600 CD1 ILE A 102 3.161 -3.654 0.326 1.00 0.36 C +ATOM 601 H ILE A 102 6.777 -3.159 -0.389 1.00 0.30 H +ATOM 602 HA ILE A 102 6.863 -4.014 2.297 1.00 0.42 H +ATOM 603 HB ILE A 102 5.290 -5.175 -0.004 1.00 0.40 H +ATOM 604 HG12 ILE A 102 4.250 -3.294 2.094 1.00 0.36 H +ATOM 605 HG13 ILE A 102 5.013 -2.680 0.630 1.00 0.30 H +ATOM 606 HG21 ILE A 102 4.820 -5.417 2.970 1.00 1.15 H +ATOM 607 HG22 ILE A 102 5.436 -6.696 1.921 1.00 1.11 H +ATOM 608 HG23 ILE A 102 3.798 -6.081 1.694 1.00 1.14 H +ATOM 609 HD11 ILE A 102 3.358 -3.880 -0.710 1.00 1.00 H +ATOM 610 HD12 ILE A 102 2.605 -2.732 0.399 1.00 1.04 H +ATOM 611 HD13 ILE A 102 2.590 -4.458 0.768 1.00 0.97 H +ATOM 612 N PHE A 103 7.940 -6.103 0.007 1.00 0.54 N +ATOM 613 CA PHE A 103 8.750 -7.290 -0.253 1.00 0.67 C +ATOM 614 C PHE A 103 10.093 -7.215 0.473 1.00 0.69 C +ATOM 615 O PHE A 103 10.512 -8.173 1.125 1.00 0.80 O +ATOM 616 CB PHE A 103 8.980 -7.436 -1.761 1.00 0.82 C +ATOM 617 CG PHE A 103 9.647 -8.716 -2.162 1.00 1.35 C +ATOM 618 CD1 PHE A 103 8.897 -9.855 -2.387 1.00 1.43 C +ATOM 619 CD2 PHE A 103 11.021 -8.775 -2.327 1.00 2.00 C +ATOM 620 CE1 PHE A 103 9.504 -11.036 -2.760 1.00 1.97 C +ATOM 621 CE2 PHE A 103 11.634 -9.953 -2.699 1.00 2.61 C +ATOM 622 CZ PHE A 103 10.875 -11.084 -2.918 1.00 2.55 C +ATOM 623 H PHE A 103 7.588 -5.592 -0.757 1.00 0.51 H +ATOM 624 HA PHE A 103 8.206 -8.151 0.104 1.00 0.74 H +ATOM 625 HB2 PHE A 103 8.028 -7.389 -2.267 1.00 0.70 H +ATOM 626 HB3 PHE A 103 9.601 -6.619 -2.099 1.00 1.02 H +ATOM 627 HD1 PHE A 103 7.826 -9.818 -2.263 1.00 1.28 H +ATOM 628 HD2 PHE A 103 11.613 -7.890 -2.154 1.00 2.10 H +ATOM 629 HE1 PHE A 103 8.908 -11.920 -2.933 1.00 2.05 H +ATOM 630 HE2 PHE A 103 12.707 -9.990 -2.823 1.00 3.18 H +ATOM 631 HZ PHE A 103 11.353 -12.007 -3.211 1.00 3.03 H +ATOM 632 N ALA A 104 10.750 -6.067 0.376 1.00 0.78 N +ATOM 633 CA ALA A 104 12.064 -5.890 0.974 1.00 0.92 C +ATOM 634 C ALA A 104 11.917 -5.621 2.457 1.00 1.48 C +ATOM 635 O ALA A 104 12.713 -6.079 3.275 1.00 1.80 O +ATOM 636 CB ALA A 104 12.812 -4.754 0.291 1.00 1.54 C +ATOM 637 H ALA A 104 10.328 -5.312 -0.085 1.00 0.85 H +ATOM 638 HA ALA A 104 12.626 -6.802 0.832 1.00 0.83 H +ATOM 639 HB1 ALA A 104 12.265 -3.831 0.419 1.00 2.09 H +ATOM 640 HB2 ALA A 104 12.913 -4.971 -0.762 1.00 1.73 H +ATOM 641 HB3 ALA A 104 13.793 -4.654 0.731 1.00 2.02 H +ATOM 642 N GLY A 105 10.879 -4.873 2.786 1.00 1.85 N +ATOM 643 CA GLY A 105 10.539 -4.622 4.162 1.00 2.70 C +ATOM 644 C GLY A 105 10.999 -3.260 4.640 1.00 2.11 C +ATOM 645 O GLY A 105 10.797 -2.897 5.799 1.00 2.71 O +ATOM 646 H GLY A 105 10.326 -4.485 2.074 1.00 1.64 H +ATOM 647 HA2 GLY A 105 9.467 -4.686 4.255 1.00 3.46 H +ATOM 648 HA3 GLY A 105 10.993 -5.381 4.781 1.00 3.30 H +ATOM 649 N GLY A 106 11.611 -2.500 3.744 1.00 1.17 N +ATOM 650 CA GLY A 106 12.108 -1.188 4.106 1.00 1.09 C +ATOM 651 C GLY A 106 12.314 -0.290 2.904 1.00 1.46 C +ATOM 652 O GLY A 106 11.678 0.760 2.794 1.00 2.04 O +ATOM 653 H GLY A 106 11.719 -2.831 2.831 1.00 1.05 H +ATOM 654 HA2 GLY A 106 11.404 -0.719 4.779 1.00 1.54 H +ATOM 655 HA3 GLY A 106 13.051 -1.307 4.616 1.00 1.10 H +ATOM 656 N ALA A 107 13.201 -0.709 2.007 1.00 1.87 N +ATOM 657 CA ALA A 107 13.527 0.051 0.808 1.00 2.61 C +ATOM 658 C ALA A 107 14.439 -0.773 -0.094 1.00 3.35 C +ATOM 659 O ALA A 107 15.203 -1.604 0.396 1.00 3.92 O +ATOM 660 CB ALA A 107 14.204 1.366 1.174 1.00 3.42 C +ATOM 661 H ALA A 107 13.660 -1.560 2.158 1.00 2.04 H +ATOM 662 HA ALA A 107 12.609 0.271 0.282 1.00 2.38 H +ATOM 663 HB1 ALA A 107 13.551 1.939 1.814 1.00 3.44 H +ATOM 664 HB2 ALA A 107 14.411 1.927 0.274 1.00 3.93 H +ATOM 665 HB3 ALA A 107 15.129 1.161 1.692 1.00 3.93 H +ATOM 666 N PRO A 108 14.349 -0.579 -1.419 1.00 3.64 N +ATOM 667 CA PRO A 108 15.213 -1.268 -2.380 1.00 4.62 C +ATOM 668 C PRO A 108 16.670 -0.835 -2.239 1.00 5.27 C +ATOM 669 O PRO A 108 16.964 0.361 -2.455 1.00 5.78 O +ATOM 670 CB PRO A 108 14.649 -0.854 -3.745 1.00 4.83 C +ATOM 671 CG PRO A 108 13.920 0.420 -3.491 1.00 4.05 C +ATOM 672 CD PRO A 108 13.395 0.324 -2.086 1.00 3.34 C +ATOM 673 OXT PRO A 108 17.519 -1.682 -1.894 1.00 5.53 O +ATOM 674 HA PRO A 108 15.146 -2.343 -2.270 1.00 4.91 H +ATOM 675 HB2 PRO A 108 15.460 -0.713 -4.445 1.00 5.24 H +ATOM 676 HB3 PRO A 108 13.983 -1.623 -4.112 1.00 5.32 H +ATOM 677 HG2 PRO A 108 14.598 1.257 -3.581 1.00 4.26 H +ATOM 678 HG3 PRO A 108 13.103 0.523 -4.189 1.00 4.07 H +ATOM 679 HD2 PRO A 108 13.393 1.295 -1.616 1.00 3.46 H +ATOM 680 HD3 PRO A 108 12.401 -0.100 -2.084 1.00 2.82 H Added: SwiftApps/modFTdock/input/2did-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2did-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2did-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,732 @@ +ATOM 1 N GLY A 1 -12.589 -21.432 -0.186 1.00 0.00 N +ATOM 2 CA GLY A 1 -11.422 -21.873 -0.928 1.00 0.00 C +ATOM 3 C GLY A 1 -10.137 -21.269 -0.397 1.00 0.00 C +ATOM 4 O GLY A 1 -10.142 -20.573 0.618 1.00 0.00 O +ATOM 5 H1 GLY A 1 -13.445 -21.896 -0.302 1.00 0.00 H +ATOM 6 HA2 GLY A 1 -11.355 -22.949 -0.866 1.00 0.00 H +ATOM 7 HA3 GLY A 1 -11.539 -21.588 -1.963 1.00 0.00 H +ATOM 8 N SER A 2 -9.031 -21.537 -1.085 1.00 0.00 N +ATOM 9 CA SER A 2 -7.731 -21.020 -0.674 1.00 0.00 C +ATOM 10 C SER A 2 -7.802 -19.519 -0.411 1.00 0.00 C +ATOM 11 O SER A 2 -7.452 -19.050 0.672 1.00 0.00 O +ATOM 12 CB SER A 2 -6.680 -21.312 -1.747 1.00 0.00 C +ATOM 13 OG SER A 2 -6.062 -22.568 -1.527 1.00 0.00 O +ATOM 14 H SER A 2 -9.091 -22.099 -1.886 1.00 0.00 H +ATOM 15 HA SER A 2 -7.449 -21.521 0.240 1.00 0.00 H +ATOM 16 HB2 SER A 2 -7.153 -21.322 -2.717 1.00 0.00 H +ATOM 17 HB3 SER A 2 -5.922 -20.542 -1.723 1.00 0.00 H +ATOM 18 HG SER A 2 -5.532 -22.803 -2.292 1.00 0.00 H +ATOM 19 N SER A 3 -8.258 -18.770 -1.410 1.00 0.00 N +ATOM 20 CA SER A 3 -8.372 -17.322 -1.289 1.00 0.00 C +ATOM 21 C SER A 3 -9.801 -16.916 -0.940 1.00 0.00 C +ATOM 22 O SER A 3 -10.747 -17.665 -1.181 1.00 0.00 O +ATOM 23 CB SER A 3 -7.942 -16.645 -2.591 1.00 0.00 C +ATOM 24 OG SER A 3 -7.981 -15.233 -2.470 1.00 0.00 O +ATOM 25 H SER A 3 -8.522 -19.203 -2.249 1.00 0.00 H +ATOM 26 HA SER A 3 -7.716 -17.003 -0.493 1.00 0.00 H +ATOM 27 HB2 SER A 3 -6.934 -16.945 -2.834 1.00 0.00 H +ATOM 28 HB3 SER A 3 -8.608 -16.945 -3.387 1.00 0.00 H +ATOM 29 HG SER A 3 -8.834 -14.965 -2.121 1.00 0.00 H +ATOM 30 N GLY A 4 -9.950 -15.724 -0.371 1.00 0.00 N +ATOM 31 CA GLY A 4 -11.265 -15.239 0.003 1.00 0.00 C +ATOM 32 C GLY A 4 -11.781 -14.175 -0.946 1.00 0.00 C +ATOM 33 O GLY A 4 -12.739 -14.403 -1.684 1.00 0.00 O +ATOM 34 H GLY A 4 -9.159 -15.169 -0.203 1.00 0.00 H +ATOM 35 HA2 GLY A 4 -11.956 -16.069 0.006 1.00 0.00 H +ATOM 36 HA3 GLY A 4 -11.214 -14.822 0.998 1.00 0.00 H +ATOM 37 N SER A 5 -11.146 -13.007 -0.925 1.00 0.00 N +ATOM 38 CA SER A 5 -11.550 -11.902 -1.786 1.00 0.00 C +ATOM 39 C SER A 5 -10.415 -11.500 -2.723 1.00 0.00 C +ATOM 40 O SER A 5 -9.608 -10.629 -2.401 1.00 0.00 O +ATOM 41 CB SER A 5 -11.978 -10.700 -0.941 1.00 0.00 C +ATOM 42 OG SER A 5 -13.129 -11.002 -0.172 1.00 0.00 O +ATOM 43 H SER A 5 -10.389 -12.886 -0.314 1.00 0.00 H +ATOM 44 HA SER A 5 -12.390 -12.233 -2.378 1.00 0.00 H +ATOM 45 HB2 SER A 5 -11.175 -10.428 -0.273 1.00 0.00 H +ATOM 46 HB3 SER A 5 -12.203 -9.868 -1.592 1.00 0.00 H +ATOM 47 HG SER A 5 -12.862 -11.367 0.675 1.00 0.00 H +ATOM 48 N SER A 6 -10.361 -12.143 -3.886 1.00 0.00 N +ATOM 49 CA SER A 6 -9.324 -11.856 -4.870 1.00 0.00 C +ATOM 50 C SER A 6 -9.634 -10.569 -5.627 1.00 0.00 C +ATOM 51 O SER A 6 -10.184 -10.600 -6.727 1.00 0.00 O +ATOM 52 CB SER A 6 -9.189 -13.020 -5.853 1.00 0.00 C +ATOM 53 OG SER A 6 -8.409 -14.067 -5.301 1.00 0.00 O +ATOM 54 H SER A 6 -11.034 -12.827 -4.085 1.00 0.00 H +ATOM 55 HA SER A 6 -8.391 -11.733 -4.341 1.00 0.00 H +ATOM 56 HB2 SER A 6 -10.170 -13.405 -6.089 1.00 0.00 H +ATOM 57 HB3 SER A 6 -8.713 -12.671 -6.758 1.00 0.00 H +ATOM 58 HG SER A 6 -7.580 -13.710 -4.975 1.00 0.00 H +ATOM 59 N GLY A 7 -9.277 -9.437 -5.029 1.00 0.00 N +ATOM 60 CA GLY A 7 -9.524 -8.154 -5.660 1.00 0.00 C +ATOM 61 C GLY A 7 -8.251 -7.365 -5.890 1.00 0.00 C +ATOM 62 O GLY A 7 -7.879 -7.093 -7.031 1.00 0.00 O +ATOM 63 H GLY A 7 -8.841 -9.473 -4.152 1.00 0.00 H +ATOM 64 HA2 GLY A 7 -10.009 -8.320 -6.611 1.00 0.00 H +ATOM 65 HA3 GLY A 7 -10.183 -7.576 -5.028 1.00 0.00 H +ATOM 66 N GLU A 8 -7.581 -6.995 -4.803 1.00 0.00 N +ATOM 67 CA GLU A 8 -6.343 -6.231 -4.892 1.00 0.00 C +ATOM 68 C GLU A 8 -5.415 -6.559 -3.726 1.00 0.00 C +ATOM 69 O GLU A 8 -5.868 -6.945 -2.648 1.00 0.00 O +ATOM 70 CB GLU A 8 -6.644 -4.731 -4.912 1.00 0.00 C +ATOM 71 CG GLU A 8 -7.255 -4.216 -3.620 1.00 0.00 C +ATOM 72 CD GLU A 8 -8.708 -4.618 -3.461 1.00 0.00 C +ATOM 73 OE1 GLU A 8 -9.391 -4.792 -4.492 1.00 0.00 O +ATOM 74 OE2 GLU A 8 -9.163 -4.758 -2.306 1.00 0.00 O +ATOM 75 H GLU A 8 -7.928 -7.242 -3.920 1.00 0.00 H +ATOM 76 HA GLU A 8 -5.851 -6.502 -5.814 1.00 0.00 H +ATOM 77 HB2 GLU A 8 -5.724 -4.193 -5.091 1.00 0.00 H +ATOM 78 HB3 GLU A 8 -7.333 -4.525 -5.718 1.00 0.00 H +ATOM 79 HG2 GLU A 8 -6.695 -4.614 -2.787 1.00 0.00 H +ATOM 80 HG3 GLU A 8 -7.192 -3.137 -3.611 1.00 0.00 H +ATOM 81 N SER A 9 -4.114 -6.403 -3.950 1.00 0.00 N +ATOM 82 CA SER A 9 -3.121 -6.686 -2.920 1.00 0.00 C +ATOM 83 C SER A 9 -2.968 -5.501 -1.972 1.00 0.00 C +ATOM 84 O SER A 9 -3.691 -4.509 -2.077 1.00 0.00 O +ATOM 85 CB SER A 9 -1.772 -7.020 -3.560 1.00 0.00 C +ATOM 86 OG SER A 9 -1.780 -8.323 -4.116 1.00 0.00 O +ATOM 87 H SER A 9 -3.815 -6.091 -4.830 1.00 0.00 H +ATOM 88 HA SER A 9 -3.464 -7.541 -2.356 1.00 0.00 H +ATOM 89 HB2 SER A 9 -1.563 -6.308 -4.345 1.00 0.00 H +ATOM 90 HB3 SER A 9 -0.998 -6.965 -2.809 1.00 0.00 H +ATOM 91 HG SER A 9 -2.430 -8.862 -3.659 1.00 0.00 H +ATOM 92 N LEU A 10 -2.022 -5.610 -1.046 1.00 0.00 N +ATOM 93 CA LEU A 10 -1.772 -4.548 -0.078 1.00 0.00 C +ATOM 94 C LEU A 10 -0.296 -4.496 0.305 1.00 0.00 C +ATOM 95 O LEU A 10 0.287 -5.502 0.711 1.00 0.00 O +ATOM 96 CB LEU A 10 -2.628 -4.759 1.172 1.00 0.00 C +ATOM 97 CG LEU A 10 -4.141 -4.768 0.955 1.00 0.00 C +ATOM 98 CD1 LEU A 10 -4.855 -5.283 2.195 1.00 0.00 C +ATOM 99 CD2 LEU A 10 -4.637 -3.376 0.592 1.00 0.00 C +ATOM 100 H LEU A 10 -1.477 -6.424 -1.012 1.00 0.00 H +ATOM 101 HA LEU A 10 -2.045 -3.610 -0.538 1.00 0.00 H +ATOM 102 HB2 LEU A 10 -2.350 -5.707 1.606 1.00 0.00 H +ATOM 103 HB3 LEU A 10 -2.397 -3.964 1.867 1.00 0.00 H +ATOM 104 HG LEU A 10 -4.377 -5.432 0.135 1.00 0.00 H +ATOM 105 HD11 LEU A 10 -4.182 -5.247 3.039 1.00 0.00 H +ATOM 106 HD12 LEU A 10 -5.171 -6.303 2.031 1.00 0.00 H +ATOM 107 HD13 LEU A 10 -5.719 -4.666 2.396 1.00 0.00 H +ATOM 108 HD21 LEU A 10 -4.691 -3.282 -0.482 1.00 0.00 H +ATOM 109 HD22 LEU A 10 -3.952 -2.637 0.984 1.00 0.00 H +ATOM 110 HD23 LEU A 10 -5.617 -3.220 1.018 1.00 0.00 H +ATOM 111 N CYS A 11 0.303 -3.317 0.174 1.00 0.00 N +ATOM 112 CA CYS A 11 1.710 -3.133 0.508 1.00 0.00 C +ATOM 113 C CYS A 11 2.063 -3.863 1.800 1.00 0.00 C +ATOM 114 O CYS A 11 1.347 -3.791 2.799 1.00 0.00 O +ATOM 115 CB CYS A 11 2.032 -1.644 0.647 1.00 0.00 C +ATOM 116 SG CYS A 11 3.770 -1.223 0.300 1.00 0.00 S +ATOM 117 H CYS A 11 -0.214 -2.552 -0.155 1.00 0.00 H +ATOM 118 HA CYS A 11 2.299 -3.546 -0.297 1.00 0.00 H +ATOM 119 HB2 CYS A 11 1.415 -1.084 -0.042 1.00 0.00 H +ATOM 120 HB3 CYS A 11 1.811 -1.328 1.656 1.00 0.00 H +ATOM 121 N PRO A 12 3.194 -4.585 1.782 1.00 0.00 N +ATOM 122 CA PRO A 12 3.668 -5.342 2.944 1.00 0.00 C +ATOM 123 C PRO A 12 4.150 -4.434 4.070 1.00 0.00 C +ATOM 124 O PRO A 12 4.528 -4.907 5.142 1.00 0.00 O +ATOM 125 CB PRO A 12 4.833 -6.161 2.382 1.00 0.00 C +ATOM 126 CG PRO A 12 5.313 -5.380 1.208 1.00 0.00 C +ATOM 127 CD PRO A 12 4.096 -4.716 0.626 1.00 0.00 C +ATOM 128 HA PRO A 12 2.906 -6.009 3.322 1.00 0.00 H +ATOM 129 HB2 PRO A 12 5.603 -6.259 3.134 1.00 0.00 H +ATOM 130 HB3 PRO A 12 4.482 -7.139 2.089 1.00 0.00 H +ATOM 131 HG2 PRO A 12 6.028 -4.638 1.528 1.00 0.00 H +ATOM 132 HG3 PRO A 12 5.760 -6.045 0.483 1.00 0.00 H +ATOM 133 HD2 PRO A 12 4.351 -3.747 0.223 1.00 0.00 H +ATOM 134 HD3 PRO A 12 3.655 -5.340 -0.137 1.00 0.00 H +ATOM 135 N GLN A 13 4.133 -3.129 3.820 1.00 0.00 N +ATOM 136 CA GLN A 13 4.569 -2.155 4.814 1.00 0.00 C +ATOM 137 C GLN A 13 3.494 -1.100 5.051 1.00 0.00 C +ATOM 138 O GLN A 13 3.293 -0.645 6.177 1.00 0.00 O +ATOM 139 CB GLN A 13 5.869 -1.484 4.367 1.00 0.00 C +ATOM 140 CG GLN A 13 6.301 -0.335 5.263 1.00 0.00 C +ATOM 141 CD GLN A 13 7.130 -0.797 6.445 1.00 0.00 C +ATOM 142 OE1 GLN A 13 7.913 -1.742 6.337 1.00 0.00 O +ATOM 143 NE2 GLN A 13 6.964 -0.132 7.582 1.00 0.00 N +ATOM 144 H GLN A 13 3.821 -2.813 2.947 1.00 0.00 H +ATOM 145 HA GLN A 13 4.747 -2.683 5.739 1.00 0.00 H +ATOM 146 HB2 GLN A 13 6.657 -2.223 4.359 1.00 0.00 H +ATOM 147 HB3 GLN A 13 5.735 -1.101 3.366 1.00 0.00 H +ATOM 148 HG2 GLN A 13 6.888 0.358 4.680 1.00 0.00 H +ATOM 149 HG3 GLN A 13 5.419 0.165 5.635 1.00 0.00 H +ATOM 150 HE21 GLN A 13 6.322 0.609 7.594 1.00 0.00 H +ATOM 151 HE22 GLN A 13 7.487 -0.410 8.362 1.00 0.00 H +ATOM 152 N HIS A 14 2.805 -0.714 3.981 1.00 0.00 N +ATOM 153 CA HIS A 14 1.749 0.288 4.073 1.00 0.00 C +ATOM 154 C HIS A 14 0.374 -0.372 4.105 1.00 0.00 C +ATOM 155 O HIS A 14 -0.603 0.226 4.555 1.00 0.00 O +ATOM 156 CB HIS A 14 1.834 1.258 2.894 1.00 0.00 C +ATOM 157 CG HIS A 14 3.131 2.006 2.826 1.00 0.00 C +ATOM 158 ND1 HIS A 14 4.153 1.662 1.967 1.00 0.00 N +ATOM 159 CD2 HIS A 14 3.567 3.085 3.516 1.00 0.00 C +ATOM 160 CE1 HIS A 14 5.163 2.497 2.132 1.00 0.00 C +ATOM 161 NE2 HIS A 14 4.833 3.371 3.066 1.00 0.00 N +ATOM 162 H HIS A 14 3.011 -1.113 3.111 1.00 0.00 H +ATOM 163 HA HIS A 14 1.892 0.837 4.991 1.00 0.00 H +ATOM 164 HB2 HIS A 14 1.722 0.706 1.973 1.00 0.00 H +ATOM 165 HB3 HIS A 14 1.037 1.983 2.974 1.00 0.00 H +ATOM 166 HD2 HIS A 14 3.022 3.623 4.279 1.00 0.00 H +ATOM 167 HE1 HIS A 14 6.100 2.471 1.595 1.00 0.00 H +ATOM 168 HE2 HIS A 14 5.433 4.048 3.443 1.00 0.00 H +ATOM 169 N HIS A 15 0.306 -1.610 3.623 1.00 0.00 N +ATOM 170 CA HIS A 15 -0.950 -2.352 3.597 1.00 0.00 C +ATOM 171 C HIS A 15 -2.028 -1.569 2.853 1.00 0.00 C +ATOM 172 O HIS A 15 -3.187 -1.547 3.265 1.00 0.00 O +ATOM 173 CB HIS A 15 -1.416 -2.658 5.020 1.00 0.00 C +ATOM 174 CG HIS A 15 -0.900 -3.959 5.552 1.00 0.00 C +ATOM 175 ND1 HIS A 15 -0.677 -4.188 6.894 1.00 0.00 N +ATOM 176 CD2 HIS A 15 -0.564 -5.105 4.916 1.00 0.00 C +ATOM 177 CE1 HIS A 15 -0.225 -5.419 7.059 1.00 0.00 C +ATOM 178 NE2 HIS A 15 -0.148 -5.997 5.874 1.00 0.00 N +ATOM 179 H HIS A 15 1.119 -2.034 3.279 1.00 0.00 H +ATOM 180 HA HIS A 15 -0.775 -3.281 3.077 1.00 0.00 H +ATOM 181 HB2 HIS A 15 -1.077 -1.873 5.680 1.00 0.00 H +ATOM 182 HB3 HIS A 15 -2.496 -2.696 5.038 1.00 0.00 H +ATOM 183 HD1 HIS A 15 -0.827 -3.545 7.617 1.00 0.00 H +ATOM 184 HD2 HIS A 15 -0.614 -5.286 3.851 1.00 0.00 H +ATOM 185 HE1 HIS A 15 0.036 -5.875 8.002 1.00 0.00 H +ATOM 186 N GLU A 16 -1.636 -0.927 1.756 1.00 0.00 N +ATOM 187 CA GLU A 16 -2.569 -0.142 0.957 1.00 0.00 C +ATOM 188 C GLU A 16 -2.758 -0.761 -0.425 1.00 0.00 C +ATOM 189 O GLU A 16 -1.830 -1.342 -0.987 1.00 0.00 O +ATOM 190 CB GLU A 16 -2.071 1.298 0.819 1.00 0.00 C +ATOM 191 CG GLU A 16 -2.192 2.109 2.098 1.00 0.00 C +ATOM 192 CD GLU A 16 -3.581 2.686 2.294 1.00 0.00 C +ATOM 193 OE1 GLU A 16 -4.564 1.933 2.129 1.00 0.00 O +ATOM 194 OE2 GLU A 16 -3.685 3.889 2.611 1.00 0.00 O +ATOM 195 H GLU A 16 -0.698 -0.983 1.479 1.00 0.00 H +ATOM 196 HA GLU A 16 -3.520 -0.136 1.468 1.00 0.00 H +ATOM 197 HB2 GLU A 16 -1.032 1.280 0.525 1.00 0.00 H +ATOM 198 HB3 GLU A 16 -2.645 1.792 0.049 1.00 0.00 H +ATOM 199 HG2 GLU A 16 -1.964 1.470 2.938 1.00 0.00 H +ATOM 200 HG3 GLU A 16 -1.483 2.923 2.062 1.00 0.00 H +ATOM 201 N ALA A 17 -3.965 -0.633 -0.965 1.00 0.00 N +ATOM 202 CA ALA A 17 -4.275 -1.178 -2.281 1.00 0.00 C +ATOM 203 C ALA A 17 -3.154 -0.888 -3.273 1.00 0.00 C +ATOM 204 O ALA A 17 -2.920 0.264 -3.642 1.00 0.00 O +ATOM 205 CB ALA A 17 -5.593 -0.613 -2.789 1.00 0.00 C +ATOM 206 H ALA A 17 -4.663 -0.159 -0.467 1.00 0.00 H +ATOM 207 HA ALA A 17 -4.386 -2.249 -2.181 1.00 0.00 H +ATOM 208 HB1 ALA A 17 -5.580 0.464 -2.699 1.00 0.00 H +ATOM 209 HB2 ALA A 17 -5.726 -0.886 -3.825 1.00 0.00 H +ATOM 210 HB3 ALA A 17 -6.406 -1.013 -2.203 1.00 0.00 H +ATOM 211 N LEU A 18 -2.464 -1.939 -3.702 1.00 0.00 N +ATOM 212 CA LEU A 18 -1.366 -1.796 -4.653 1.00 0.00 C +ATOM 213 C LEU A 18 -1.895 -1.621 -6.073 1.00 0.00 C +ATOM 214 O LEU A 18 -2.440 -2.553 -6.663 1.00 0.00 O +ATOM 215 CB LEU A 18 -0.446 -3.017 -4.586 1.00 0.00 C +ATOM 216 CG LEU A 18 0.115 -3.359 -3.206 1.00 0.00 C +ATOM 217 CD1 LEU A 18 0.862 -4.684 -3.246 1.00 0.00 C +ATOM 218 CD2 LEU A 18 1.027 -2.246 -2.709 1.00 0.00 C +ATOM 219 H LEU A 18 -2.697 -2.831 -3.373 1.00 0.00 H +ATOM 220 HA LEU A 18 -0.803 -0.916 -4.379 1.00 0.00 H +ATOM 221 HB2 LEU A 18 -1.005 -3.871 -4.937 1.00 0.00 H +ATOM 222 HB3 LEU A 18 0.388 -2.837 -5.249 1.00 0.00 H +ATOM 223 HG LEU A 18 -0.703 -3.459 -2.506 1.00 0.00 H +ATOM 224 HD11 LEU A 18 0.212 -5.451 -3.638 1.00 0.00 H +ATOM 225 HD12 LEU A 18 1.174 -4.952 -2.248 1.00 0.00 H +ATOM 226 HD13 LEU A 18 1.730 -4.588 -3.881 1.00 0.00 H +ATOM 227 HD21 LEU A 18 2.025 -2.635 -2.570 1.00 0.00 H +ATOM 228 HD22 LEU A 18 0.653 -1.867 -1.769 1.00 0.00 H +ATOM 229 HD23 LEU A 18 1.049 -1.448 -3.437 1.00 0.00 H +ATOM 230 N SER A 19 -1.727 -0.419 -6.617 1.00 0.00 N +ATOM 231 CA SER A 19 -2.189 -0.121 -7.967 1.00 0.00 C +ATOM 232 C SER A 19 -1.042 0.396 -8.831 1.00 0.00 C +ATOM 233 O SER A 19 -1.111 0.361 -10.060 1.00 0.00 O +ATOM 234 CB SER A 19 -3.318 0.911 -7.927 1.00 0.00 C +ATOM 235 OG SER A 19 -3.619 1.388 -9.227 1.00 0.00 O +ATOM 236 H SER A 19 -1.285 0.283 -6.096 1.00 0.00 H +ATOM 237 HA SER A 19 -2.565 -1.036 -8.399 1.00 0.00 H +ATOM 238 HB2 SER A 19 -4.203 0.457 -7.509 1.00 0.00 H +ATOM 239 HB3 SER A 19 -3.016 1.746 -7.310 1.00 0.00 H +ATOM 240 HG SER A 19 -4.560 1.567 -9.292 1.00 0.00 H +ATOM 241 N LEU A 20 0.011 0.876 -8.179 1.00 0.00 N +ATOM 242 CA LEU A 20 1.174 1.401 -8.887 1.00 0.00 C +ATOM 243 C LEU A 20 2.291 0.363 -8.944 1.00 0.00 C +ATOM 244 O LEU A 20 2.223 -0.674 -8.284 1.00 0.00 O +ATOM 245 CB LEU A 20 1.679 2.673 -8.204 1.00 0.00 C +ATOM 246 CG LEU A 20 0.795 3.912 -8.354 1.00 0.00 C +ATOM 247 CD1 LEU A 20 1.177 4.968 -7.329 1.00 0.00 C +ATOM 248 CD2 LEU A 20 0.899 4.473 -9.764 1.00 0.00 C +ATOM 249 H LEU A 20 0.008 0.878 -7.200 1.00 0.00 H +ATOM 250 HA LEU A 20 0.869 1.640 -9.894 1.00 0.00 H +ATOM 251 HB2 LEU A 20 1.780 2.465 -7.150 1.00 0.00 H +ATOM 252 HB3 LEU A 20 2.650 2.906 -8.617 1.00 0.00 H +ATOM 253 HG LEU A 20 -0.235 3.634 -8.178 1.00 0.00 H +ATOM 254 HD11 LEU A 20 1.830 4.531 -6.588 1.00 0.00 H +ATOM 255 HD12 LEU A 20 0.286 5.342 -6.848 1.00 0.00 H +ATOM 256 HD13 LEU A 20 1.687 5.782 -7.823 1.00 0.00 H +ATOM 257 HD21 LEU A 20 0.157 4.004 -10.394 1.00 0.00 H +ATOM 258 HD22 LEU A 20 1.884 4.273 -10.160 1.00 0.00 H +ATOM 259 HD23 LEU A 20 0.729 5.539 -9.741 1.00 0.00 H +ATOM 260 N PHE A 21 3.319 0.651 -9.735 1.00 0.00 N +ATOM 261 CA PHE A 21 4.451 -0.256 -9.878 1.00 0.00 C +ATOM 262 C PHE A 21 5.700 0.498 -10.324 1.00 0.00 C +ATOM 263 O PHE A 21 5.696 1.174 -11.354 1.00 0.00 O +ATOM 264 CB PHE A 21 4.123 -1.362 -10.884 1.00 0.00 C +ATOM 265 CG PHE A 21 5.315 -2.185 -11.280 1.00 0.00 C +ATOM 266 CD1 PHE A 21 6.176 -1.748 -12.272 1.00 0.00 C +ATOM 267 CD2 PHE A 21 5.573 -3.397 -10.659 1.00 0.00 C +ATOM 268 CE1 PHE A 21 7.273 -2.504 -12.639 1.00 0.00 C +ATOM 269 CE2 PHE A 21 6.669 -4.157 -11.022 1.00 0.00 C +ATOM 270 CZ PHE A 21 7.521 -3.709 -12.013 1.00 0.00 C +ATOM 271 H PHE A 21 3.315 1.494 -10.236 1.00 0.00 H +ATOM 272 HA PHE A 21 4.640 -0.703 -8.914 1.00 0.00 H +ATOM 273 HB2 PHE A 21 3.390 -2.026 -10.451 1.00 0.00 H +ATOM 274 HB3 PHE A 21 3.714 -0.915 -11.777 1.00 0.00 H +ATOM 275 HD1 PHE A 21 5.985 -0.804 -12.763 1.00 0.00 H +ATOM 276 HD2 PHE A 21 4.907 -3.748 -9.883 1.00 0.00 H +ATOM 277 HE1 PHE A 21 7.938 -2.151 -13.414 1.00 0.00 H +ATOM 278 HE2 PHE A 21 6.859 -5.099 -10.529 1.00 0.00 H +ATOM 279 HZ PHE A 21 8.377 -4.302 -12.298 1.00 0.00 H +ATOM 280 N CYS A 22 6.768 0.378 -9.543 1.00 0.00 N +ATOM 281 CA CYS A 22 8.024 1.049 -9.855 1.00 0.00 C +ATOM 282 C CYS A 22 8.714 0.385 -11.043 1.00 0.00 C +ATOM 283 O CYS A 22 8.597 -0.824 -11.247 1.00 0.00 O +ATOM 284 CB CYS A 22 8.951 1.032 -8.638 1.00 0.00 C +ATOM 285 SG CYS A 22 10.343 2.202 -8.748 1.00 0.00 S +ATOM 286 H CYS A 22 6.709 -0.175 -8.735 1.00 0.00 H +ATOM 287 HA CYS A 22 7.799 2.073 -10.111 1.00 0.00 H +ATOM 288 HB2 CYS A 22 8.380 1.285 -7.756 1.00 0.00 H +ATOM 289 HB3 CYS A 22 9.362 0.040 -8.522 1.00 0.00 H +ATOM 290 N TYR A 23 9.433 1.183 -11.824 1.00 0.00 N +ATOM 291 CA TYR A 23 10.140 0.675 -12.993 1.00 0.00 C +ATOM 292 C TYR A 23 11.544 0.208 -12.620 1.00 0.00 C +ATOM 293 O TYR A 23 11.889 -0.960 -12.798 1.00 0.00 O +ATOM 294 CB TYR A 23 10.220 1.752 -14.076 1.00 0.00 C +ATOM 295 CG TYR A 23 10.390 1.196 -15.472 1.00 0.00 C +ATOM 296 CD1 TYR A 23 9.294 0.753 -16.202 1.00 0.00 C +ATOM 297 CD2 TYR A 23 11.646 1.113 -16.060 1.00 0.00 C +ATOM 298 CE1 TYR A 23 9.445 0.244 -17.478 1.00 0.00 C +ATOM 299 CE2 TYR A 23 11.806 0.607 -17.335 1.00 0.00 C +ATOM 300 CZ TYR A 23 10.703 0.173 -18.040 1.00 0.00 C +ATOM 301 OH TYR A 23 10.858 -0.333 -19.310 1.00 0.00 O +ATOM 302 H TYR A 23 9.488 2.138 -11.610 1.00 0.00 H +ATOM 303 HA TYR A 23 9.583 -0.167 -13.377 1.00 0.00 H +ATOM 304 HB2 TYR A 23 9.313 2.336 -14.061 1.00 0.00 H +ATOM 305 HB3 TYR A 23 11.061 2.398 -13.871 1.00 0.00 H +ATOM 306 HD1 TYR A 23 8.311 0.809 -15.759 1.00 0.00 H +ATOM 307 HD2 TYR A 23 12.508 1.454 -15.504 1.00 0.00 H +ATOM 308 HE1 TYR A 23 8.581 -0.096 -18.030 1.00 0.00 H +ATOM 309 HE2 TYR A 23 12.791 0.551 -17.775 1.00 0.00 H +ATOM 310 HH TYR A 23 10.217 -1.033 -19.456 1.00 0.00 H +ATOM 311 N GLU A 24 12.349 1.130 -12.101 1.00 0.00 N +ATOM 312 CA GLU A 24 13.715 0.814 -11.702 1.00 0.00 C +ATOM 313 C GLU A 24 13.751 -0.433 -10.823 1.00 0.00 C +ATOM 314 O GLU A 24 14.323 -1.456 -11.200 1.00 0.00 O +ATOM 315 CB GLU A 24 14.340 1.995 -10.957 1.00 0.00 C +ATOM 316 CG GLU A 24 15.857 2.027 -11.029 1.00 0.00 C +ATOM 317 CD GLU A 24 16.367 2.721 -12.277 1.00 0.00 C +ATOM 318 OE1 GLU A 24 16.010 3.898 -12.490 1.00 0.00 O +ATOM 319 OE2 GLU A 24 17.125 2.086 -13.040 1.00 0.00 O +ATOM 320 H GLU A 24 12.016 2.044 -11.983 1.00 0.00 H +ATOM 321 HA GLU A 24 14.286 0.623 -12.599 1.00 0.00 H +ATOM 322 HB2 GLU A 24 13.960 2.913 -11.380 1.00 0.00 H +ATOM 323 HB3 GLU A 24 14.051 1.942 -9.918 1.00 0.00 H +ATOM 324 HG2 GLU A 24 16.235 2.552 -10.164 1.00 0.00 H +ATOM 325 HG3 GLU A 24 16.226 1.012 -11.022 1.00 0.00 H +ATOM 326 N ASP A 25 13.137 -0.339 -9.649 1.00 0.00 N +ATOM 327 CA ASP A 25 13.097 -1.458 -8.715 1.00 0.00 C +ATOM 328 C ASP A 25 12.443 -2.678 -9.356 1.00 0.00 C +ATOM 329 O ASP A 25 12.721 -3.815 -8.975 1.00 0.00 O +ATOM 330 CB ASP A 25 12.338 -1.065 -7.447 1.00 0.00 C +ATOM 331 CG ASP A 25 12.909 0.177 -6.792 1.00 0.00 C +ATOM 332 OD1 ASP A 25 12.936 1.237 -7.452 1.00 0.00 O +ATOM 333 OD2 ASP A 25 13.327 0.090 -5.619 1.00 0.00 O +ATOM 334 H ASP A 25 12.699 0.503 -9.405 1.00 0.00 H +ATOM 335 HA ASP A 25 14.114 -1.707 -8.452 1.00 0.00 H +ATOM 336 HB2 ASP A 25 11.304 -0.874 -7.698 1.00 0.00 H +ATOM 337 HB3 ASP A 25 12.387 -1.879 -6.739 1.00 0.00 H +ATOM 338 N GLN A 26 11.573 -2.433 -10.331 1.00 0.00 N +ATOM 339 CA GLN A 26 10.879 -3.512 -11.024 1.00 0.00 C +ATOM 340 C GLN A 26 9.983 -4.288 -10.064 1.00 0.00 C +ATOM 341 O GLN A 26 9.944 -5.517 -10.093 1.00 0.00 O +ATOM 342 CB GLN A 26 11.887 -4.460 -11.677 1.00 0.00 C +ATOM 343 CG GLN A 26 11.319 -5.237 -12.853 1.00 0.00 C +ATOM 344 CD GLN A 26 11.499 -4.512 -14.173 1.00 0.00 C +ATOM 345 OE1 GLN A 26 12.337 -4.890 -14.992 1.00 0.00 O +ATOM 346 NE2 GLN A 26 10.712 -3.464 -14.386 1.00 0.00 N +ATOM 347 H GLN A 26 11.394 -1.506 -10.590 1.00 0.00 H +ATOM 348 HA GLN A 26 10.264 -3.071 -11.793 1.00 0.00 H +ATOM 349 HB2 GLN A 26 12.731 -3.883 -12.027 1.00 0.00 H +ATOM 350 HB3 GLN A 26 12.229 -5.168 -10.937 1.00 0.00 H +ATOM 351 HG2 GLN A 26 11.820 -6.191 -12.913 1.00 0.00 H +ATOM 352 HG3 GLN A 26 10.263 -5.395 -12.687 1.00 0.00 H +ATOM 353 HE21 GLN A 26 10.068 -3.220 -13.687 1.00 0.00 H +ATOM 354 HE22 GLN A 26 10.808 -2.977 -15.229 1.00 0.00 H +ATOM 355 N GLU A 27 9.265 -3.560 -9.214 1.00 0.00 N +ATOM 356 CA GLU A 27 8.371 -4.181 -8.244 1.00 0.00 C +ATOM 357 C GLU A 27 7.094 -3.361 -8.078 1.00 0.00 C +ATOM 358 O GLU A 27 6.982 -2.255 -8.606 1.00 0.00 O +ATOM 359 CB GLU A 27 9.072 -4.331 -6.893 1.00 0.00 C +ATOM 360 CG GLU A 27 10.241 -5.302 -6.918 1.00 0.00 C +ATOM 361 CD GLU A 27 9.811 -6.725 -7.220 1.00 0.00 C +ATOM 362 OE1 GLU A 27 8.714 -7.121 -6.773 1.00 0.00 O +ATOM 363 OE2 GLU A 27 10.572 -7.442 -7.902 1.00 0.00 O +ATOM 364 H GLU A 27 9.340 -2.583 -9.239 1.00 0.00 H +ATOM 365 HA GLU A 27 8.109 -5.161 -8.614 1.00 0.00 H +ATOM 366 HB2 GLU A 27 9.441 -3.365 -6.582 1.00 0.00 H +ATOM 367 HB3 GLU A 27 8.355 -4.683 -6.166 1.00 0.00 H +ATOM 368 HG2 GLU A 27 10.939 -4.986 -7.678 1.00 0.00 H +ATOM 369 HG3 GLU A 27 10.728 -5.286 -5.954 1.00 0.00 H +ATOM 370 N ALA A 28 6.135 -3.912 -7.341 1.00 0.00 N +ATOM 371 CA ALA A 28 4.868 -3.233 -7.104 1.00 0.00 C +ATOM 372 C ALA A 28 4.957 -2.311 -5.893 1.00 0.00 C +ATOM 373 O ALA A 28 5.674 -2.598 -4.933 1.00 0.00 O +ATOM 374 CB ALA A 28 3.751 -4.249 -6.916 1.00 0.00 C +ATOM 375 H ALA A 28 6.285 -4.797 -6.947 1.00 0.00 H +ATOM 376 HA ALA A 28 4.639 -2.640 -7.978 1.00 0.00 H +ATOM 377 HB1 ALA A 28 3.347 -4.158 -5.918 1.00 0.00 H +ATOM 378 HB2 ALA A 28 2.971 -4.064 -7.639 1.00 0.00 H +ATOM 379 HB3 ALA A 28 4.144 -5.245 -7.056 1.00 0.00 H +ATOM 380 N VAL A 29 4.226 -1.203 -5.943 1.00 0.00 N +ATOM 381 CA VAL A 29 4.222 -0.239 -4.849 1.00 0.00 C +ATOM 382 C VAL A 29 2.813 0.272 -4.571 1.00 0.00 C +ATOM 383 O VAL A 29 1.852 -0.140 -5.221 1.00 0.00 O +ATOM 384 CB VAL A 29 5.141 0.960 -5.153 1.00 0.00 C +ATOM 385 CG1 VAL A 29 6.577 0.497 -5.347 1.00 0.00 C +ATOM 386 CG2 VAL A 29 4.645 1.712 -6.378 1.00 0.00 C +ATOM 387 H VAL A 29 3.675 -1.029 -6.734 1.00 0.00 H +ATOM 388 HA VAL A 29 4.595 -0.736 -3.965 1.00 0.00 H +ATOM 389 HB VAL A 29 5.113 1.632 -4.308 1.00 0.00 H +ATOM 390 HG11 VAL A 29 7.202 0.938 -4.585 1.00 0.00 H +ATOM 391 HG12 VAL A 29 6.621 -0.580 -5.273 1.00 0.00 H +ATOM 392 HG13 VAL A 29 6.926 0.805 -6.321 1.00 0.00 H +ATOM 393 HG21 VAL A 29 4.051 2.558 -6.065 1.00 0.00 H +ATOM 394 HG22 VAL A 29 5.490 2.060 -6.955 1.00 0.00 H +ATOM 395 HG23 VAL A 29 4.042 1.054 -6.986 1.00 0.00 H +ATOM 396 N CYS A 30 2.697 1.173 -3.601 1.00 0.00 N +ATOM 397 CA CYS A 30 1.405 1.742 -3.236 1.00 0.00 C +ATOM 398 C CYS A 30 1.434 3.265 -3.335 1.00 0.00 C +ATOM 399 O CYS A 30 2.470 3.859 -3.637 1.00 0.00 O +ATOM 400 CB CYS A 30 1.021 1.319 -1.817 1.00 0.00 C +ATOM 401 SG CYS A 30 1.991 2.135 -0.509 1.00 0.00 S +ATOM 402 H CYS A 30 3.500 1.463 -3.119 1.00 0.00 H +ATOM 403 HA CYS A 30 0.668 1.363 -3.928 1.00 0.00 H +ATOM 404 HB2 CYS A 30 -0.020 1.555 -1.649 1.00 0.00 H +ATOM 405 HB3 CYS A 30 1.163 0.253 -1.717 1.00 0.00 H +ATOM 406 N LEU A 31 0.291 3.890 -3.077 1.00 0.00 N +ATOM 407 CA LEU A 31 0.184 5.344 -3.136 1.00 0.00 C +ATOM 408 C LEU A 31 1.282 6.005 -2.308 1.00 0.00 C +ATOM 409 O LEU A 31 1.938 6.942 -2.764 1.00 0.00 O +ATOM 410 CB LEU A 31 -1.189 5.795 -2.634 1.00 0.00 C +ATOM 411 CG LEU A 31 -2.348 4.832 -2.893 1.00 0.00 C +ATOM 412 CD1 LEU A 31 -2.499 3.855 -1.737 1.00 0.00 C +ATOM 413 CD2 LEU A 31 -3.641 5.601 -3.117 1.00 0.00 C +ATOM 414 H LEU A 31 -0.500 3.364 -2.842 1.00 0.00 H +ATOM 415 HA LEU A 31 0.298 5.643 -4.167 1.00 0.00 H +ATOM 416 HB2 LEU A 31 -1.118 5.947 -1.568 1.00 0.00 H +ATOM 417 HB3 LEU A 31 -1.424 6.734 -3.115 1.00 0.00 H +ATOM 418 HG LEU A 31 -2.139 4.260 -3.787 1.00 0.00 H +ATOM 419 HD11 LEU A 31 -2.218 2.865 -2.063 1.00 0.00 H +ATOM 420 HD12 LEU A 31 -3.527 3.847 -1.405 1.00 0.00 H +ATOM 421 HD13 LEU A 31 -1.860 4.162 -0.922 1.00 0.00 H +ATOM 422 HD21 LEU A 31 -3.415 6.644 -3.284 1.00 0.00 H +ATOM 423 HD22 LEU A 31 -4.272 5.506 -2.245 1.00 0.00 H +ATOM 424 HD23 LEU A 31 -4.154 5.201 -3.978 1.00 0.00 H +ATOM 425 N ILE A 32 1.478 5.509 -1.091 1.00 0.00 N +ATOM 426 CA ILE A 32 2.499 6.048 -0.202 1.00 0.00 C +ATOM 427 C ILE A 32 3.885 5.944 -0.829 1.00 0.00 C +ATOM 428 O ILE A 32 4.515 6.955 -1.142 1.00 0.00 O +ATOM 429 CB ILE A 32 2.506 5.320 1.155 1.00 0.00 C +ATOM 430 CG1 ILE A 32 1.082 4.930 1.556 1.00 0.00 C +ATOM 431 CG2 ILE A 32 3.142 6.197 2.223 1.00 0.00 C +ATOM 432 CD1 ILE A 32 0.054 5.995 1.246 1.00 0.00 C +ATOM 433 H ILE A 32 0.924 4.761 -0.784 1.00 0.00 H +ATOM 434 HA ILE A 32 2.272 7.090 -0.028 1.00 0.00 H +ATOM 435 HB ILE A 32 3.103 4.426 1.056 1.00 0.00 H +ATOM 436 HG12 ILE A 32 0.800 4.033 1.029 1.00 0.00 H +ATOM 437 HG13 ILE A 32 1.055 4.741 2.620 1.00 0.00 H +ATOM 438 HG21 ILE A 32 3.734 5.584 2.887 1.00 0.00 H +ATOM 439 HG22 ILE A 32 3.777 6.934 1.754 1.00 0.00 H +ATOM 440 HG23 ILE A 32 2.368 6.696 2.788 1.00 0.00 H +ATOM 441 HD11 ILE A 32 0.545 6.951 1.142 1.00 0.00 H +ATOM 442 HD12 ILE A 32 -0.455 5.748 0.327 1.00 0.00 H +ATOM 443 HD13 ILE A 32 -0.665 6.046 2.052 1.00 0.00 H +ATOM 444 N CYS A 33 4.355 4.715 -1.012 1.00 0.00 N +ATOM 445 CA CYS A 33 5.666 4.477 -1.604 1.00 0.00 C +ATOM 446 C CYS A 33 5.960 5.493 -2.704 1.00 0.00 C +ATOM 447 O CYS A 33 6.988 6.168 -2.680 1.00 0.00 O +ATOM 448 CB CYS A 33 5.743 3.058 -2.172 1.00 0.00 C +ATOM 449 SG CYS A 33 5.871 1.756 -0.904 1.00 0.00 S +ATOM 450 H CYS A 33 3.806 3.948 -0.743 1.00 0.00 H +ATOM 451 HA CYS A 33 6.406 4.584 -0.825 1.00 0.00 H +ATOM 452 HB2 CYS A 33 4.853 2.863 -2.753 1.00 0.00 H +ATOM 453 HB3 CYS A 33 6.609 2.981 -2.812 1.00 0.00 H +ATOM 454 N ALA A 34 5.048 5.595 -3.665 1.00 0.00 N +ATOM 455 CA ALA A 34 5.207 6.530 -4.772 1.00 0.00 C +ATOM 456 C ALA A 34 5.762 7.866 -4.288 1.00 0.00 C +ATOM 457 O ALA A 34 6.705 8.404 -4.868 1.00 0.00 O +ATOM 458 CB ALA A 34 3.879 6.736 -5.485 1.00 0.00 C +ATOM 459 H ALA A 34 4.249 5.030 -3.629 1.00 0.00 H +ATOM 460 HA ALA A 34 5.903 6.098 -5.477 1.00 0.00 H +ATOM 461 HB1 ALA A 34 3.596 7.777 -5.425 1.00 0.00 H +ATOM 462 HB2 ALA A 34 3.978 6.448 -6.521 1.00 0.00 H +ATOM 463 HB3 ALA A 34 3.120 6.129 -5.014 1.00 0.00 H +ATOM 464 N ILE A 35 5.170 8.395 -3.222 1.00 0.00 N +ATOM 465 CA ILE A 35 5.606 9.667 -2.660 1.00 0.00 C +ATOM 466 C ILE A 35 6.428 9.456 -1.394 1.00 0.00 C +ATOM 467 O ILE A 35 6.282 10.191 -0.417 1.00 0.00 O +ATOM 468 CB ILE A 35 4.407 10.579 -2.335 1.00 0.00 C +ATOM 469 CG1 ILE A 35 3.506 9.920 -1.289 1.00 0.00 C +ATOM 470 CG2 ILE A 35 3.621 10.891 -3.599 1.00 0.00 C +ATOM 471 CD1 ILE A 35 2.346 10.789 -0.857 1.00 0.00 C +ATOM 472 H ILE A 35 4.423 7.918 -2.804 1.00 0.00 H +ATOM 473 HA ILE A 35 6.220 10.164 -3.397 1.00 0.00 H +ATOM 474 HB ILE A 35 4.788 11.508 -1.938 1.00 0.00 H +ATOM 475 HG12 ILE A 35 3.102 9.006 -1.696 1.00 0.00 H +ATOM 476 HG13 ILE A 35 4.094 9.690 -0.412 1.00 0.00 H +ATOM 477 HG21 ILE A 35 4.121 10.454 -4.451 1.00 0.00 H +ATOM 478 HG22 ILE A 35 2.627 10.477 -3.516 1.00 0.00 H +ATOM 479 HG23 ILE A 35 3.556 11.961 -3.729 1.00 0.00 H +ATOM 480 HD11 ILE A 35 1.422 10.360 -1.216 1.00 0.00 H +ATOM 481 HD12 ILE A 35 2.322 10.849 0.220 1.00 0.00 H +ATOM 482 HD13 ILE A 35 2.466 11.780 -1.270 1.00 0.00 H +ATOM 483 N SER A 36 7.293 8.448 -1.418 1.00 0.00 N +ATOM 484 CA SER A 36 8.138 8.138 -0.270 1.00 0.00 C +ATOM 485 C SER A 36 9.614 8.295 -0.624 1.00 0.00 C +ATOM 486 O SER A 36 9.982 8.332 -1.799 1.00 0.00 O +ATOM 487 CB SER A 36 7.869 6.713 0.219 1.00 0.00 C +ATOM 488 OG SER A 36 8.411 6.507 1.511 1.00 0.00 O +ATOM 489 H SER A 36 7.363 7.897 -2.226 1.00 0.00 H +ATOM 490 HA SER A 36 7.893 8.833 0.519 1.00 0.00 H +ATOM 491 HB2 SER A 36 6.803 6.545 0.258 1.00 0.00 H +ATOM 492 HB3 SER A 36 8.320 6.010 -0.466 1.00 0.00 H +ATOM 493 HG SER A 36 8.329 5.580 1.749 1.00 0.00 H +ATOM 494 N HIS A 37 10.455 8.389 0.401 1.00 0.00 N +ATOM 495 CA HIS A 37 11.892 8.542 0.199 1.00 0.00 C +ATOM 496 C HIS A 37 12.452 7.383 -0.620 1.00 0.00 C +ATOM 497 O HIS A 37 13.346 7.568 -1.447 1.00 0.00 O +ATOM 498 CB HIS A 37 12.611 8.624 1.546 1.00 0.00 C +ATOM 499 CG HIS A 37 12.671 7.317 2.274 1.00 0.00 C +ATOM 500 ND1 HIS A 37 11.708 6.911 3.174 1.00 0.00 N +ATOM 501 CD2 HIS A 37 13.586 6.320 2.230 1.00 0.00 C +ATOM 502 CE1 HIS A 37 12.029 5.723 3.653 1.00 0.00 C +ATOM 503 NE2 HIS A 37 13.165 5.342 3.096 1.00 0.00 N +ATOM 504 H HIS A 37 10.101 8.353 1.314 1.00 0.00 H +ATOM 505 HA HIS A 37 12.054 9.461 -0.343 1.00 0.00 H +ATOM 506 HB2 HIS A 37 13.624 8.961 1.385 1.00 0.00 H +ATOM 507 HB3 HIS A 37 12.097 9.334 2.179 1.00 0.00 H +ATOM 508 HD1 HIS A 37 10.910 7.420 3.425 1.00 0.00 H +ATOM 509 HD2 HIS A 37 14.483 6.298 1.626 1.00 0.00 H +ATOM 510 HE1 HIS A 37 11.461 5.158 4.376 1.00 0.00 H +ATOM 511 N THR A 38 11.922 6.187 -0.384 1.00 0.00 N +ATOM 512 CA THR A 38 12.370 4.998 -1.098 1.00 0.00 C +ATOM 513 C THR A 38 12.245 5.182 -2.606 1.00 0.00 C +ATOM 514 O THR A 38 13.241 5.159 -3.329 1.00 0.00 O +ATOM 515 CB THR A 38 11.566 3.753 -0.676 1.00 0.00 C +ATOM 516 OG1 THR A 38 11.558 3.636 0.751 1.00 0.00 O +ATOM 517 CG2 THR A 38 12.159 2.493 -1.289 1.00 0.00 C +ATOM 518 H THR A 38 11.213 6.103 0.287 1.00 0.00 H +ATOM 519 HA THR A 38 13.408 4.831 -0.850 1.00 0.00 H +ATOM 520 HB THR A 38 10.550 3.863 -1.027 1.00 0.00 H +ATOM 521 HG1 THR A 38 10.685 3.363 1.045 1.00 0.00 H +ATOM 522 HG21 THR A 38 11.685 2.299 -2.240 1.00 0.00 H +ATOM 523 HG22 THR A 38 11.992 1.657 -0.626 1.00 0.00 H +ATOM 524 HG23 THR A 38 13.219 2.630 -1.437 1.00 0.00 H +ATOM 525 N HIS A 39 11.015 5.366 -3.075 1.00 0.00 N +ATOM 526 CA HIS A 39 10.760 5.556 -4.499 1.00 0.00 C +ATOM 527 C HIS A 39 10.314 6.986 -4.784 1.00 0.00 C +ATOM 528 O HIS A 39 9.369 7.213 -5.541 1.00 0.00 O +ATOM 529 CB HIS A 39 9.696 4.571 -4.984 1.00 0.00 C +ATOM 530 CG HIS A 39 9.939 3.161 -4.541 1.00 0.00 C +ATOM 531 ND1 HIS A 39 10.678 2.258 -5.275 1.00 0.00 N +ATOM 532 CD2 HIS A 39 9.536 2.500 -3.430 1.00 0.00 C +ATOM 533 CE1 HIS A 39 10.719 1.102 -4.636 1.00 0.00 C +ATOM 534 NE2 HIS A 39 10.034 1.223 -3.513 1.00 0.00 N +ATOM 535 H HIS A 39 10.261 5.374 -2.449 1.00 0.00 H +ATOM 536 HA HIS A 39 11.681 5.367 -5.028 1.00 0.00 H +ATOM 537 HB2 HIS A 39 8.732 4.876 -4.603 1.00 0.00 H +ATOM 538 HB3 HIS A 39 9.671 4.580 -6.064 1.00 0.00 H +ATOM 539 HD2 HIS A 39 8.935 2.902 -2.627 1.00 0.00 H +ATOM 540 HE1 HIS A 39 11.226 0.211 -4.974 1.00 0.00 H +ATOM 541 HE2 HIS A 39 9.833 0.491 -2.894 1.00 0.00 H +ATOM 542 N ARG A 40 10.998 7.948 -4.174 1.00 0.00 N +ATOM 543 CA ARG A 40 10.671 9.356 -4.362 1.00 0.00 C +ATOM 544 C ARG A 40 10.978 9.801 -5.789 1.00 0.00 C +ATOM 545 O ARG A 40 10.091 10.246 -6.516 1.00 0.00 O +ATOM 546 CB ARG A 40 11.451 10.220 -3.368 1.00 0.00 C +ATOM 547 CG ARG A 40 10.728 11.498 -2.974 1.00 0.00 C +ATOM 548 CD ARG A 40 10.734 12.512 -4.107 1.00 0.00 C +ATOM 549 NE ARG A 40 12.057 13.095 -4.314 1.00 0.00 N +ATOM 550 CZ ARG A 40 12.257 14.283 -4.875 1.00 0.00 C +ATOM 551 NH1 ARG A 40 11.226 15.009 -5.283 1.00 0.00 N +ATOM 552 NH2 ARG A 40 13.491 14.746 -5.028 1.00 0.00 N +ATOM 553 H ARG A 40 11.741 7.705 -3.583 1.00 0.00 H +ATOM 554 HA ARG A 40 9.614 9.478 -4.179 1.00 0.00 H +ATOM 555 HB2 ARG A 40 11.631 9.644 -2.472 1.00 0.00 H +ATOM 556 HB3 ARG A 40 12.398 10.489 -3.810 1.00 0.00 H +ATOM 557 HG2 ARG A 40 9.705 11.260 -2.724 1.00 0.00 H +ATOM 558 HG3 ARG A 40 11.220 11.928 -2.115 1.00 0.00 H +ATOM 559 HD2 ARG A 40 10.423 12.019 -5.016 1.00 0.00 H +ATOM 560 HD3 ARG A 40 10.036 13.301 -3.869 1.00 0.00 H +ATOM 561 HE ARG A 40 12.833 12.575 -4.019 1.00 0.00 H +ATOM 562 HH11 ARG A 40 10.295 14.663 -5.168 1.00 0.00 H +ATOM 563 HH12 ARG A 40 11.379 15.903 -5.704 1.00 0.00 H +ATOM 564 HH21 ARG A 40 14.271 14.201 -4.721 1.00 0.00 H +ATOM 565 HH22 ARG A 40 13.641 15.639 -5.451 1.00 0.00 H +ATOM 566 N ALA A 41 12.242 9.677 -6.182 1.00 0.00 N +ATOM 567 CA ALA A 41 12.666 10.064 -7.522 1.00 0.00 C +ATOM 568 C ALA A 41 12.756 8.851 -8.441 1.00 0.00 C +ATOM 569 O ALA A 41 13.694 8.724 -9.229 1.00 0.00 O +ATOM 570 CB ALA A 41 14.004 10.785 -7.464 1.00 0.00 C +ATOM 571 H ALA A 41 12.904 9.315 -5.557 1.00 0.00 H +ATOM 572 HA ALA A 41 11.932 10.750 -7.919 1.00 0.00 H +ATOM 573 HB1 ALA A 41 14.020 11.572 -8.205 1.00 0.00 H +ATOM 574 HB2 ALA A 41 14.140 11.212 -6.482 1.00 0.00 H +ATOM 575 HB3 ALA A 41 14.800 10.084 -7.666 1.00 0.00 H +ATOM 576 N HIS A 42 11.775 7.959 -8.336 1.00 0.00 N +ATOM 577 CA HIS A 42 11.745 6.755 -9.158 1.00 0.00 C +ATOM 578 C HIS A 42 10.632 6.837 -10.200 1.00 0.00 C +ATOM 579 O HIS A 42 9.667 7.584 -10.036 1.00 0.00 O +ATOM 580 CB HIS A 42 11.548 5.518 -8.281 1.00 0.00 C +ATOM 581 CG HIS A 42 12.800 5.067 -7.593 1.00 0.00 C +ATOM 582 ND1 HIS A 42 12.891 3.878 -6.901 1.00 0.00 N +ATOM 583 CD2 HIS A 42 14.016 5.651 -7.496 1.00 0.00 C +ATOM 584 CE1 HIS A 42 14.109 3.752 -6.406 1.00 0.00 C +ATOM 585 NE2 HIS A 42 14.812 4.815 -6.753 1.00 0.00 N +ATOM 586 H HIS A 42 11.055 8.116 -7.690 1.00 0.00 H +ATOM 587 HA HIS A 42 12.693 6.677 -9.668 1.00 0.00 H +ATOM 588 HB2 HIS A 42 10.813 5.737 -7.521 1.00 0.00 H +ATOM 589 HB3 HIS A 42 11.193 4.703 -8.895 1.00 0.00 H +ATOM 590 HD2 HIS A 42 14.308 6.601 -7.922 1.00 0.00 H +ATOM 591 HE1 HIS A 42 14.469 2.921 -5.818 1.00 0.00 H +ATOM 592 HE2 HIS A 42 15.720 5.015 -6.445 1.00 0.00 H +ATOM 593 N THR A 43 10.774 6.064 -11.272 1.00 0.00 N +ATOM 594 CA THR A 43 9.784 6.050 -12.341 1.00 0.00 C +ATOM 595 C THR A 43 8.666 5.058 -12.041 1.00 0.00 C +ATOM 596 O THR A 43 8.768 3.875 -12.366 1.00 0.00 O +ATOM 597 CB THR A 43 10.424 5.691 -13.695 1.00 0.00 C +ATOM 598 OG1 THR A 43 11.504 6.587 -13.979 1.00 0.00 O +ATOM 599 CG2 THR A 43 9.395 5.758 -14.814 1.00 0.00 C +ATOM 600 H THR A 43 11.565 5.490 -11.345 1.00 0.00 H +ATOM 601 HA THR A 43 9.362 7.042 -12.417 1.00 0.00 H +ATOM 602 HB THR A 43 10.808 4.683 -13.639 1.00 0.00 H +ATOM 603 HG1 THR A 43 11.892 6.362 -14.828 1.00 0.00 H +ATOM 604 HG21 THR A 43 8.411 5.570 -14.411 1.00 0.00 H +ATOM 605 HG22 THR A 43 9.627 5.013 -15.561 1.00 0.00 H +ATOM 606 HG23 THR A 43 9.418 6.739 -15.265 1.00 0.00 H +ATOM 607 N VAL A 44 7.597 5.548 -11.420 1.00 0.00 N +ATOM 608 CA VAL A 44 6.458 4.704 -11.079 1.00 0.00 C +ATOM 609 C VAL A 44 5.402 4.734 -12.178 1.00 0.00 C +ATOM 610 O VAL A 44 5.091 5.792 -12.727 1.00 0.00 O +ATOM 611 CB VAL A 44 5.813 5.143 -9.751 1.00 0.00 C +ATOM 612 CG1 VAL A 44 4.601 4.280 -9.435 1.00 0.00 C +ATOM 613 CG2 VAL A 44 6.829 5.085 -8.620 1.00 0.00 C +ATOM 614 H VAL A 44 7.574 6.499 -11.187 1.00 0.00 H +ATOM 615 HA VAL A 44 6.815 3.691 -10.964 1.00 0.00 H +ATOM 616 HB VAL A 44 5.481 6.166 -9.856 1.00 0.00 H +ATOM 617 HG11 VAL A 44 3.984 4.780 -8.703 1.00 0.00 H +ATOM 618 HG12 VAL A 44 4.030 4.116 -10.337 1.00 0.00 H +ATOM 619 HG13 VAL A 44 4.930 3.330 -9.038 1.00 0.00 H +ATOM 620 HG21 VAL A 44 7.479 4.235 -8.765 1.00 0.00 H +ATOM 621 HG22 VAL A 44 7.418 5.991 -8.617 1.00 0.00 H +ATOM 622 HG23 VAL A 44 6.313 4.988 -7.677 1.00 0.00 H +ATOM 623 N VAL A 45 4.854 3.566 -12.496 1.00 0.00 N +ATOM 624 CA VAL A 45 3.831 3.458 -13.530 1.00 0.00 C +ATOM 625 C VAL A 45 2.585 2.759 -12.999 1.00 0.00 C +ATOM 626 O VAL A 45 2.659 1.839 -12.183 1.00 0.00 O +ATOM 627 CB VAL A 45 4.353 2.690 -14.758 1.00 0.00 C +ATOM 628 CG1 VAL A 45 5.693 3.252 -15.209 1.00 0.00 C +ATOM 629 CG2 VAL A 45 4.465 1.205 -14.449 1.00 0.00 C +ATOM 630 H VAL A 45 5.143 2.758 -12.024 1.00 0.00 H +ATOM 631 HA VAL A 45 3.565 4.458 -13.843 1.00 0.00 H +ATOM 632 HB VAL A 45 3.645 2.816 -15.564 1.00 0.00 H +ATOM 633 HG11 VAL A 45 5.896 4.169 -14.676 1.00 0.00 H +ATOM 634 HG12 VAL A 45 6.473 2.533 -15.003 1.00 0.00 H +ATOM 635 HG13 VAL A 45 5.660 3.453 -16.270 1.00 0.00 H +ATOM 636 HG21 VAL A 45 3.618 0.685 -14.871 1.00 0.00 H +ATOM 637 HG22 VAL A 45 5.376 0.815 -14.880 1.00 0.00 H +ATOM 638 HG23 VAL A 45 4.482 1.059 -13.380 1.00 0.00 H +ATOM 639 N PRO A 46 1.410 3.202 -13.472 1.00 0.00 N +ATOM 640 CA PRO A 46 0.125 2.632 -13.059 1.00 0.00 C +ATOM 641 C PRO A 46 -0.082 1.219 -13.595 1.00 0.00 C +ATOM 642 O PRO A 46 0.313 0.907 -14.719 1.00 0.00 O +ATOM 643 CB PRO A 46 -0.901 3.590 -13.670 1.00 0.00 C +ATOM 644 CG PRO A 46 -0.202 4.200 -14.835 1.00 0.00 C +ATOM 645 CD PRO A 46 1.248 4.294 -14.446 1.00 0.00 C +ATOM 646 HA PRO A 46 0.020 2.626 -11.984 1.00 0.00 H +ATOM 647 HB2 PRO A 46 -1.776 3.036 -13.978 1.00 0.00 H +ATOM 648 HB3 PRO A 46 -1.179 4.337 -12.941 1.00 0.00 H +ATOM 649 HG2 PRO A 46 -0.317 3.570 -15.704 1.00 0.00 H +ATOM 650 HG3 PRO A 46 -0.602 5.185 -15.028 1.00 0.00 H +ATOM 651 HD2 PRO A 46 1.880 4.140 -15.308 1.00 0.00 H +ATOM 652 HD3 PRO A 46 1.455 5.251 -13.990 1.00 0.00 H +ATOM 653 N LEU A 47 -0.702 0.369 -12.784 1.00 0.00 N +ATOM 654 CA LEU A 47 -0.961 -1.012 -13.177 1.00 0.00 C +ATOM 655 C LEU A 47 -2.396 -1.179 -13.667 1.00 0.00 C +ATOM 656 O LEU A 47 -2.996 -2.242 -13.512 1.00 0.00 O +ATOM 657 CB LEU A 47 -0.699 -1.956 -12.002 1.00 0.00 C +ATOM 658 CG LEU A 47 0.731 -1.970 -11.459 1.00 0.00 C +ATOM 659 CD1 LEU A 47 0.818 -2.832 -10.209 1.00 0.00 C +ATOM 660 CD2 LEU A 47 1.700 -2.467 -12.521 1.00 0.00 C +ATOM 661 H LEU A 47 -0.992 0.675 -11.900 1.00 0.00 H +ATOM 662 HA LEU A 47 -0.287 -1.259 -13.984 1.00 0.00 H +ATOM 663 HB2 LEU A 47 -1.356 -1.669 -11.195 1.00 0.00 H +ATOM 664 HB3 LEU A 47 -0.941 -2.958 -12.324 1.00 0.00 H +ATOM 665 HG LEU A 47 1.016 -0.962 -11.189 1.00 0.00 H +ATOM 666 HD11 LEU A 47 0.120 -3.652 -10.288 1.00 0.00 H +ATOM 667 HD12 LEU A 47 0.577 -2.235 -9.342 1.00 0.00 H +ATOM 668 HD13 LEU A 47 1.821 -3.221 -10.110 1.00 0.00 H +ATOM 669 HD21 LEU A 47 2.242 -1.628 -12.933 1.00 0.00 H +ATOM 670 HD22 LEU A 47 1.149 -2.961 -13.308 1.00 0.00 H +ATOM 671 HD23 LEU A 47 2.396 -3.162 -12.076 1.00 0.00 H +ATOM 672 N SER A 48 -2.939 -0.121 -14.261 1.00 0.00 N +ATOM 673 CA SER A 48 -4.305 -0.149 -14.773 1.00 0.00 C +ATOM 674 C SER A 48 -4.313 -0.136 -16.298 1.00 0.00 C +ATOM 675 O SER A 48 -3.349 0.292 -16.932 1.00 0.00 O +ATOM 676 CB SER A 48 -5.097 1.044 -14.236 1.00 0.00 C +ATOM 677 OG SER A 48 -5.585 0.788 -12.931 1.00 0.00 O +ATOM 678 H SER A 48 -2.410 0.699 -14.355 1.00 0.00 H +ATOM 679 HA SER A 48 -4.768 -1.062 -14.430 1.00 0.00 H +ATOM 680 HB2 SER A 48 -4.458 1.913 -14.204 1.00 0.00 H +ATOM 681 HB3 SER A 48 -5.936 1.239 -14.890 1.00 0.00 H +ATOM 682 HG SER A 48 -5.218 1.430 -12.319 1.00 0.00 H +ATOM 683 N GLY A 49 -5.411 -0.608 -16.882 1.00 0.00 N +ATOM 684 CA GLY A 49 -5.526 -0.642 -18.328 1.00 0.00 C +ATOM 685 C GLY A 49 -6.851 -0.092 -18.818 1.00 0.00 C +ATOM 686 O GLY A 49 -7.870 -0.165 -18.130 1.00 0.00 O +ATOM 687 H GLY A 49 -6.148 -0.935 -16.326 1.00 0.00 H +ATOM 688 HA2 GLY A 49 -4.725 -0.057 -18.756 1.00 0.00 H +ATOM 689 HA3 GLY A 49 -5.429 -1.665 -18.661 1.00 0.00 H +ATOM 690 N PRO A 50 -6.848 0.477 -20.032 1.00 0.00 N +ATOM 691 CA PRO A 50 -8.051 1.054 -20.640 1.00 0.00 C +ATOM 692 C PRO A 50 -9.069 -0.011 -21.033 1.00 0.00 C +ATOM 693 O PRO A 50 -10.175 0.306 -21.471 1.00 0.00 O +ATOM 694 CB PRO A 50 -7.514 1.765 -21.884 1.00 0.00 C +ATOM 695 CG PRO A 50 -6.254 1.043 -22.220 1.00 0.00 C +ATOM 696 CD PRO A 50 -5.669 0.599 -20.907 1.00 0.00 C +ATOM 697 HA PRO A 50 -8.519 1.774 -19.985 1.00 0.00 H +ATOM 698 HB2 PRO A 50 -8.237 1.692 -22.684 1.00 0.00 H +ATOM 699 HB3 PRO A 50 -7.324 2.803 -21.656 1.00 0.00 H +ATOM 700 HG2 PRO A 50 -6.476 0.188 -22.840 1.00 0.00 H +ATOM 701 HG3 PRO A 50 -5.573 1.710 -22.727 1.00 0.00 H +ATOM 702 HD2 PRO A 50 -5.171 -0.353 -21.019 1.00 0.00 H +ATOM 703 HD3 PRO A 50 -4.985 1.344 -20.528 1.00 0.00 H +ATOM 704 N SER A 51 -8.690 -1.274 -20.872 1.00 0.00 N +ATOM 705 CA SER A 51 -9.570 -2.386 -21.213 1.00 0.00 C +ATOM 706 C SER A 51 -10.714 -2.500 -20.211 1.00 0.00 C +ATOM 707 O SER A 51 -11.873 -2.255 -20.546 1.00 0.00 O +ATOM 708 CB SER A 51 -8.780 -3.696 -21.253 1.00 0.00 C +ATOM 709 OG SER A 51 -9.640 -4.805 -21.445 1.00 0.00 O +ATOM 710 H SER A 51 -7.796 -1.463 -20.517 1.00 0.00 H +ATOM 711 HA SER A 51 -9.982 -2.194 -22.192 1.00 0.00 H +ATOM 712 HB2 SER A 51 -8.071 -3.661 -22.066 1.00 0.00 H +ATOM 713 HB3 SER A 51 -8.251 -3.823 -20.319 1.00 0.00 H +ATOM 714 HG SER A 51 -9.117 -5.605 -21.535 1.00 0.00 H +ATOM 715 N SER A 52 -10.380 -2.874 -18.980 1.00 0.00 N +ATOM 716 CA SER A 52 -11.380 -3.025 -17.929 1.00 0.00 C +ATOM 717 C SER A 52 -12.242 -1.772 -17.816 1.00 0.00 C +ATOM 718 O SER A 52 -13.422 -1.783 -18.164 1.00 0.00 O +ATOM 719 CB SER A 52 -10.701 -3.313 -16.589 1.00 0.00 C +ATOM 720 OG SER A 52 -11.588 -3.970 -15.699 1.00 0.00 O +ATOM 721 H SER A 52 -9.439 -3.055 -18.775 1.00 0.00 H +ATOM 722 HA SER A 52 -12.012 -3.860 -18.190 1.00 0.00 H +ATOM 723 HB2 SER A 52 -9.841 -3.945 -16.752 1.00 0.00 H +ATOM 724 HB3 SER A 52 -10.385 -2.382 -16.141 1.00 0.00 H +ATOM 725 HG SER A 52 -12.199 -3.331 -15.326 1.00 0.00 H +ATOM 726 N GLY A 53 -11.643 -0.690 -17.326 1.00 0.00 N +ATOM 727 CA GLY A 53 -12.370 0.557 -17.175 1.00 0.00 C +ATOM 728 C GLY A 53 -11.704 1.708 -17.902 1.00 0.00 C +ATOM 729 O GLY A 53 -10.766 1.474 -18.662 1.00 0.00 O +ATOM 730 H GLY A 53 -10.700 -0.740 -17.065 1.00 0.00 H +ATOM 731 HA2 GLY A 53 -13.369 0.428 -17.565 1.00 0.00 H +ATOM 732 HA3 GLY A 53 -12.434 0.798 -16.124 1.00 0.00 H Added: SwiftApps/modFTdock/input/2dk1-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2dk1-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2dk1-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,715 @@ +ATOM 1 N GLY A 1 -10.054 5.331 -23.582 1.00 0.00 N +ATOM 2 CA GLY A 1 -9.680 5.856 -24.884 1.00 0.00 C +ATOM 3 C GLY A 1 -8.285 5.376 -25.288 1.00 0.00 C +ATOM 4 O GLY A 1 -8.147 4.362 -25.971 1.00 0.00 O +ATOM 5 H1 GLY A 1 -10.816 5.804 -23.139 1.00 0.00 H +ATOM 6 HA2 GLY A 1 -10.408 5.541 -25.630 1.00 0.00 H +ATOM 7 HA3 GLY A 1 -9.700 6.946 -24.859 1.00 0.00 H +ATOM 8 N SER A 2 -7.285 6.126 -24.848 1.00 0.00 N +ATOM 9 CA SER A 2 -5.905 5.789 -25.156 1.00 0.00 C +ATOM 10 C SER A 2 -5.213 5.228 -23.912 1.00 0.00 C +ATOM 11 O SER A 2 -4.741 4.092 -23.918 1.00 0.00 O +ATOM 12 CB SER A 2 -5.145 7.007 -25.682 1.00 0.00 C +ATOM 13 OG SER A 2 -4.878 6.908 -27.078 1.00 0.00 O +ATOM 14 H SER A 2 -7.405 6.948 -24.293 1.00 0.00 H +ATOM 15 HA SER A 2 -5.961 5.031 -25.937 1.00 0.00 H +ATOM 16 HB2 SER A 2 -5.725 7.909 -25.487 1.00 0.00 H +ATOM 17 HB3 SER A 2 -4.205 7.110 -25.140 1.00 0.00 H +ATOM 18 HG SER A 2 -5.501 6.249 -27.500 1.00 0.00 H +ATOM 19 N SER A 3 -5.175 6.050 -22.874 1.00 0.00 N +ATOM 20 CA SER A 3 -4.549 5.651 -21.625 1.00 0.00 C +ATOM 21 C SER A 3 -5.472 5.978 -20.449 1.00 0.00 C +ATOM 22 O SER A 3 -6.358 6.823 -20.567 1.00 0.00 O +ATOM 23 CB SER A 3 -3.194 6.338 -21.443 1.00 0.00 C +ATOM 24 OG SER A 3 -3.334 7.729 -21.169 1.00 0.00 O +ATOM 25 H SER A 3 -5.562 6.973 -22.876 1.00 0.00 H +ATOM 26 HA SER A 3 -4.402 4.574 -21.708 1.00 0.00 H +ATOM 27 HB2 SER A 3 -2.652 5.860 -20.627 1.00 0.00 H +ATOM 28 HB3 SER A 3 -2.596 6.204 -22.345 1.00 0.00 H +ATOM 29 HG SER A 3 -2.607 8.242 -21.626 1.00 0.00 H +ATOM 30 N GLY A 4 -5.233 5.291 -19.341 1.00 0.00 N +ATOM 31 CA GLY A 4 -6.031 5.497 -18.145 1.00 0.00 C +ATOM 32 C GLY A 4 -5.679 6.826 -17.474 1.00 0.00 C +ATOM 33 O GLY A 4 -4.507 7.114 -17.235 1.00 0.00 O +ATOM 34 H GLY A 4 -4.510 4.605 -19.254 1.00 0.00 H +ATOM 35 HA2 GLY A 4 -7.090 5.486 -18.404 1.00 0.00 H +ATOM 36 HA3 GLY A 4 -5.864 4.677 -17.446 1.00 0.00 H +ATOM 37 N SER A 5 -6.715 7.601 -17.189 1.00 0.00 N +ATOM 38 CA SER A 5 -6.530 8.893 -16.550 1.00 0.00 C +ATOM 39 C SER A 5 -6.673 8.752 -15.033 1.00 0.00 C +ATOM 40 O SER A 5 -7.444 7.922 -14.554 1.00 0.00 O +ATOM 41 CB SER A 5 -7.530 9.920 -17.084 1.00 0.00 C +ATOM 42 OG SER A 5 -7.014 11.247 -17.027 1.00 0.00 O +ATOM 43 H SER A 5 -7.665 7.360 -17.387 1.00 0.00 H +ATOM 44 HA SER A 5 -5.518 9.202 -16.811 1.00 0.00 H +ATOM 45 HB2 SER A 5 -7.786 9.675 -18.115 1.00 0.00 H +ATOM 46 HB3 SER A 5 -8.452 9.864 -16.505 1.00 0.00 H +ATOM 47 HG SER A 5 -7.258 11.745 -17.860 1.00 0.00 H +ATOM 48 N SER A 6 -5.919 9.576 -14.320 1.00 0.00 N +ATOM 49 CA SER A 6 -5.953 9.553 -12.868 1.00 0.00 C +ATOM 50 C SER A 6 -5.364 8.239 -12.351 1.00 0.00 C +ATOM 51 O SER A 6 -5.255 7.267 -13.098 1.00 0.00 O +ATOM 52 CB SER A 6 -7.379 9.736 -12.347 1.00 0.00 C +ATOM 53 OG SER A 6 -7.432 10.630 -11.239 1.00 0.00 O +ATOM 54 H SER A 6 -5.295 10.248 -14.718 1.00 0.00 H +ATOM 55 HA SER A 6 -5.340 10.397 -12.552 1.00 0.00 H +ATOM 56 HB2 SER A 6 -8.012 10.116 -13.149 1.00 0.00 H +ATOM 57 HB3 SER A 6 -7.785 8.769 -12.052 1.00 0.00 H +ATOM 58 HG SER A 6 -6.507 10.832 -10.917 1.00 0.00 H +ATOM 59 N GLY A 7 -4.999 8.251 -11.078 1.00 0.00 N +ATOM 60 CA GLY A 7 -4.424 7.072 -10.452 1.00 0.00 C +ATOM 61 C GLY A 7 -5.518 6.156 -9.900 1.00 0.00 C +ATOM 62 O GLY A 7 -6.617 6.613 -9.589 1.00 0.00 O +ATOM 63 H GLY A 7 -5.091 9.045 -10.477 1.00 0.00 H +ATOM 64 HA2 GLY A 7 -3.822 6.528 -11.180 1.00 0.00 H +ATOM 65 HA3 GLY A 7 -3.755 7.373 -9.646 1.00 0.00 H +ATOM 66 N ARG A 8 -5.179 4.879 -9.794 1.00 0.00 N +ATOM 67 CA ARG A 8 -6.118 3.895 -9.285 1.00 0.00 C +ATOM 68 C ARG A 8 -5.448 3.022 -8.222 1.00 0.00 C +ATOM 69 O ARG A 8 -4.695 2.106 -8.549 1.00 0.00 O +ATOM 70 CB ARG A 8 -6.644 3.002 -10.410 1.00 0.00 C +ATOM 71 CG ARG A 8 -6.498 3.689 -11.769 1.00 0.00 C +ATOM 72 CD ARG A 8 -7.468 4.865 -11.897 1.00 0.00 C +ATOM 73 NE ARG A 8 -8.357 4.664 -13.063 1.00 0.00 N +ATOM 74 CZ ARG A 8 -7.924 4.527 -14.323 1.00 0.00 C +ATOM 75 NH1 ARG A 8 -6.611 4.569 -14.588 1.00 0.00 N +ATOM 76 NH2 ARG A 8 -8.803 4.349 -15.318 1.00 0.00 N +ATOM 77 H ARG A 8 -4.282 4.516 -10.049 1.00 0.00 H +ATOM 78 HA ARG A 8 -6.931 4.481 -8.856 1.00 0.00 H +ATOM 79 HB2 ARG A 8 -6.099 2.058 -10.415 1.00 0.00 H +ATOM 80 HB3 ARG A 8 -7.693 2.764 -10.230 1.00 0.00 H +ATOM 81 HG2 ARG A 8 -5.474 4.042 -11.894 1.00 0.00 H +ATOM 82 HG3 ARG A 8 -6.686 2.970 -12.566 1.00 0.00 H +ATOM 83 HD2 ARG A 8 -8.062 4.957 -10.987 1.00 0.00 H +ATOM 84 HD3 ARG A 8 -6.912 5.796 -12.009 1.00 0.00 H +ATOM 85 HE ARG A 8 -9.343 4.628 -12.900 1.00 0.00 H +ATOM 86 HH11 ARG A 8 -5.955 4.702 -13.845 1.00 0.00 H +ATOM 87 HH12 ARG A 8 -6.287 4.467 -15.529 1.00 0.00 H +ATOM 88 HH21 ARG A 8 -9.783 4.317 -15.120 1.00 0.00 H +ATOM 89 HH22 ARG A 8 -8.479 4.247 -16.259 1.00 0.00 H +ATOM 90 N TRP A 9 -5.746 3.337 -6.970 1.00 0.00 N +ATOM 91 CA TRP A 9 -5.181 2.593 -5.856 1.00 0.00 C +ATOM 92 C TRP A 9 -6.292 2.363 -4.830 1.00 0.00 C +ATOM 93 O TRP A 9 -7.292 3.080 -4.820 1.00 0.00 O +ATOM 94 CB TRP A 9 -3.968 3.318 -5.271 1.00 0.00 C +ATOM 95 CG TRP A 9 -2.869 3.617 -6.293 1.00 0.00 C +ATOM 96 CD1 TRP A 9 -2.951 4.375 -7.394 1.00 0.00 C +ATOM 97 CD2 TRP A 9 -1.511 3.130 -6.262 1.00 0.00 C +ATOM 98 NE1 TRP A 9 -1.750 4.412 -8.073 1.00 0.00 N +ATOM 99 CE2 TRP A 9 -0.846 3.630 -7.362 1.00 0.00 C +ATOM 100 CE3 TRP A 9 -0.865 2.293 -5.334 1.00 0.00 C +ATOM 101 CZ2 TRP A 9 0.497 3.352 -7.639 1.00 0.00 C +ATOM 102 CZ3 TRP A 9 0.477 2.024 -5.625 1.00 0.00 C +ATOM 103 CH2 TRP A 9 1.161 2.520 -6.729 1.00 0.00 C +ATOM 104 H TRP A 9 -6.359 4.084 -6.711 1.00 0.00 H +ATOM 105 HA TRP A 9 -4.825 1.638 -6.241 1.00 0.00 H +ATOM 106 HB2 TRP A 9 -4.299 4.256 -4.824 1.00 0.00 H +ATOM 107 HB3 TRP A 9 -3.548 2.713 -4.468 1.00 0.00 H +ATOM 108 HD1 TRP A 9 -3.852 4.897 -7.714 1.00 0.00 H +ATOM 109 HE1 TRP A 9 -1.547 4.954 -8.997 1.00 0.00 H +ATOM 110 HE3 TRP A 9 -1.368 1.885 -4.457 1.00 0.00 H +ATOM 111 HZ2 TRP A 9 1.000 3.760 -8.516 1.00 0.00 H +ATOM 112 HZ3 TRP A 9 1.025 1.380 -4.937 1.00 0.00 H +ATOM 113 HH2 TRP A 9 2.208 2.263 -6.885 1.00 0.00 H +ATOM 114 N VAL A 10 -6.081 1.359 -3.991 1.00 0.00 N +ATOM 115 CA VAL A 10 -7.052 1.025 -2.963 1.00 0.00 C +ATOM 116 C VAL A 10 -6.316 0.656 -1.674 1.00 0.00 C +ATOM 117 O VAL A 10 -5.312 -0.053 -1.709 1.00 0.00 O +ATOM 118 CB VAL A 10 -7.980 -0.084 -3.461 1.00 0.00 C +ATOM 119 CG1 VAL A 10 -9.086 0.485 -4.352 1.00 0.00 C +ATOM 120 CG2 VAL A 10 -7.191 -1.171 -4.194 1.00 0.00 C +ATOM 121 H VAL A 10 -5.265 0.781 -4.006 1.00 0.00 H +ATOM 122 HA VAL A 10 -7.656 1.914 -2.780 1.00 0.00 H +ATOM 123 HB VAL A 10 -8.452 -0.541 -2.592 1.00 0.00 H +ATOM 124 HG11 VAL A 10 -9.857 -0.271 -4.501 1.00 0.00 H +ATOM 125 HG12 VAL A 10 -9.524 1.361 -3.873 1.00 0.00 H +ATOM 126 HG13 VAL A 10 -8.666 0.770 -5.316 1.00 0.00 H +ATOM 127 HG21 VAL A 10 -6.619 -0.721 -5.005 1.00 0.00 H +ATOM 128 HG22 VAL A 10 -6.510 -1.659 -3.496 1.00 0.00 H +ATOM 129 HG23 VAL A 10 -7.882 -1.909 -4.602 1.00 0.00 H +ATOM 130 N GLU A 11 -6.846 1.153 -0.565 1.00 0.00 N +ATOM 131 CA GLU A 11 -6.252 0.884 0.733 1.00 0.00 C +ATOM 132 C GLU A 11 -6.807 -0.420 1.311 1.00 0.00 C +ATOM 133 O GLU A 11 -8.021 -0.585 1.426 1.00 0.00 O +ATOM 134 CB GLU A 11 -6.483 2.051 1.695 1.00 0.00 C +ATOM 135 CG GLU A 11 -5.731 1.836 3.010 1.00 0.00 C +ATOM 136 CD GLU A 11 -5.606 3.146 3.790 1.00 0.00 C +ATOM 137 OE1 GLU A 11 -6.552 3.957 3.693 1.00 0.00 O +ATOM 138 OE2 GLU A 11 -4.567 3.307 4.466 1.00 0.00 O +ATOM 139 H GLU A 11 -7.663 1.728 -0.545 1.00 0.00 H +ATOM 140 HA GLU A 11 -5.183 0.780 0.548 1.00 0.00 H +ATOM 141 HB2 GLU A 11 -6.152 2.980 1.230 1.00 0.00 H +ATOM 142 HB3 GLU A 11 -7.549 2.157 1.895 1.00 0.00 H +ATOM 143 HG2 GLU A 11 -6.255 1.096 3.615 1.00 0.00 H +ATOM 144 HG3 GLU A 11 -4.739 1.435 2.804 1.00 0.00 H +ATOM 145 N GLY A 12 -5.892 -1.313 1.659 1.00 0.00 N +ATOM 146 CA GLY A 12 -6.275 -2.597 2.221 1.00 0.00 C +ATOM 147 C GLY A 12 -5.412 -2.942 3.437 1.00 0.00 C +ATOM 148 O GLY A 12 -5.077 -2.067 4.233 1.00 0.00 O +ATOM 149 H GLY A 12 -4.907 -1.171 1.562 1.00 0.00 H +ATOM 150 HA2 GLY A 12 -7.325 -2.572 2.511 1.00 0.00 H +ATOM 151 HA3 GLY A 12 -6.171 -3.375 1.465 1.00 0.00 H +ATOM 152 N ILE A 13 -5.077 -4.220 3.541 1.00 0.00 N +ATOM 153 CA ILE A 13 -4.260 -4.691 4.646 1.00 0.00 C +ATOM 154 C ILE A 13 -3.398 -5.864 4.173 1.00 0.00 C +ATOM 155 O ILE A 13 -3.761 -6.564 3.229 1.00 0.00 O +ATOM 156 CB ILE A 13 -5.135 -5.020 5.857 1.00 0.00 C +ATOM 157 CG1 ILE A 13 -5.815 -3.761 6.400 1.00 0.00 C +ATOM 158 CG2 ILE A 13 -4.328 -5.746 6.936 1.00 0.00 C +ATOM 159 CD1 ILE A 13 -4.784 -2.783 6.969 1.00 0.00 C +ATOM 160 H ILE A 13 -5.354 -4.925 2.889 1.00 0.00 H +ATOM 161 HA ILE A 13 -3.600 -3.874 4.937 1.00 0.00 H +ATOM 162 HB ILE A 13 -5.924 -5.698 5.534 1.00 0.00 H +ATOM 163 HG12 ILE A 13 -6.380 -3.277 5.604 1.00 0.00 H +ATOM 164 HG13 ILE A 13 -6.528 -4.035 7.177 1.00 0.00 H +ATOM 165 HG21 ILE A 13 -3.480 -5.129 7.232 1.00 0.00 H +ATOM 166 HG22 ILE A 13 -4.963 -5.931 7.802 1.00 0.00 H +ATOM 167 HG23 ILE A 13 -3.966 -6.695 6.541 1.00 0.00 H +ATOM 168 HD11 ILE A 13 -4.899 -1.813 6.485 1.00 0.00 H +ATOM 169 HD12 ILE A 13 -4.939 -2.675 8.042 1.00 0.00 H +ATOM 170 HD13 ILE A 13 -3.780 -3.165 6.783 1.00 0.00 H +ATOM 171 N THR A 14 -2.274 -6.042 4.851 1.00 0.00 N +ATOM 172 CA THR A 14 -1.358 -7.118 4.513 1.00 0.00 C +ATOM 173 C THR A 14 -1.011 -7.935 5.759 1.00 0.00 C +ATOM 174 O THR A 14 -1.650 -7.789 6.799 1.00 0.00 O +ATOM 175 CB THR A 14 -0.136 -6.501 3.830 1.00 0.00 C +ATOM 176 OG1 THR A 14 0.512 -5.774 4.870 1.00 0.00 O +ATOM 177 CG2 THR A 14 -0.516 -5.429 2.807 1.00 0.00 C +ATOM 178 H THR A 14 -1.987 -5.468 5.618 1.00 0.00 H +ATOM 179 HA THR A 14 -1.861 -7.792 3.819 1.00 0.00 H +ATOM 180 HB THR A 14 0.486 -7.272 3.375 1.00 0.00 H +ATOM 181 HG1 THR A 14 1.088 -6.389 5.410 1.00 0.00 H +ATOM 182 HG21 THR A 14 -1.329 -5.796 2.181 1.00 0.00 H +ATOM 183 HG22 THR A 14 -0.836 -4.527 3.328 1.00 0.00 H +ATOM 184 HG23 THR A 14 0.348 -5.201 2.183 1.00 0.00 H +ATOM 185 N SER A 15 0.001 -8.777 5.612 1.00 0.00 N +ATOM 186 CA SER A 15 0.441 -9.617 6.713 1.00 0.00 C +ATOM 187 C SER A 15 0.485 -8.803 8.007 1.00 0.00 C +ATOM 188 O SER A 15 1.002 -7.687 8.026 1.00 0.00 O +ATOM 189 CB SER A 15 1.814 -10.229 6.424 1.00 0.00 C +ATOM 190 OG SER A 15 2.124 -11.292 7.322 1.00 0.00 O +ATOM 191 H SER A 15 0.516 -8.890 4.762 1.00 0.00 H +ATOM 192 HA SER A 15 -0.302 -10.411 6.785 1.00 0.00 H +ATOM 193 HB2 SER A 15 1.836 -10.602 5.400 1.00 0.00 H +ATOM 194 HB3 SER A 15 2.578 -9.456 6.499 1.00 0.00 H +ATOM 195 HG SER A 15 1.284 -11.746 7.617 1.00 0.00 H +ATOM 196 N GLU A 16 -0.065 -9.394 9.059 1.00 0.00 N +ATOM 197 CA GLU A 16 -0.095 -8.737 10.354 1.00 0.00 C +ATOM 198 C GLU A 16 -1.306 -7.807 10.450 1.00 0.00 C +ATOM 199 O GLU A 16 -2.234 -8.067 11.215 1.00 0.00 O +ATOM 200 CB GLU A 16 1.205 -7.972 10.612 1.00 0.00 C +ATOM 201 CG GLU A 16 1.487 -7.861 12.112 1.00 0.00 C +ATOM 202 CD GLU A 16 2.706 -8.699 12.504 1.00 0.00 C +ATOM 203 OE1 GLU A 16 2.771 -9.858 12.040 1.00 0.00 O +ATOM 204 OE2 GLU A 16 3.545 -8.162 13.259 1.00 0.00 O +ATOM 205 H GLU A 16 -0.483 -10.302 9.035 1.00 0.00 H +ATOM 206 HA GLU A 16 -0.187 -9.541 11.085 1.00 0.00 H +ATOM 207 HB2 GLU A 16 2.034 -8.481 10.120 1.00 0.00 H +ATOM 208 HB3 GLU A 16 1.137 -6.976 10.176 1.00 0.00 H +ATOM 209 HG2 GLU A 16 1.658 -6.818 12.377 1.00 0.00 H +ATOM 210 HG3 GLU A 16 0.616 -8.194 12.676 1.00 0.00 H +ATOM 211 N GLY A 17 -1.259 -6.743 9.663 1.00 0.00 N +ATOM 212 CA GLY A 17 -2.341 -5.773 9.649 1.00 0.00 C +ATOM 213 C GLY A 17 -1.831 -4.389 9.241 1.00 0.00 C +ATOM 214 O GLY A 17 -2.197 -3.385 9.850 1.00 0.00 O +ATOM 215 H GLY A 17 -0.501 -6.539 9.043 1.00 0.00 H +ATOM 216 HA2 GLY A 17 -3.116 -6.098 8.956 1.00 0.00 H +ATOM 217 HA3 GLY A 17 -2.798 -5.720 10.637 1.00 0.00 H +ATOM 218 N TYR A 18 -0.995 -4.381 8.213 1.00 0.00 N +ATOM 219 CA TYR A 18 -0.432 -3.137 7.717 1.00 0.00 C +ATOM 220 C TYR A 18 -1.290 -2.557 6.591 1.00 0.00 C +ATOM 221 O TYR A 18 -1.590 -3.246 5.617 1.00 0.00 O +ATOM 222 CB TYR A 18 0.948 -3.491 7.160 1.00 0.00 C +ATOM 223 CG TYR A 18 1.855 -4.215 8.158 1.00 0.00 C +ATOM 224 CD1 TYR A 18 1.969 -3.747 9.451 1.00 0.00 C +ATOM 225 CD2 TYR A 18 2.558 -5.335 7.764 1.00 0.00 C +ATOM 226 CE1 TYR A 18 2.822 -4.428 10.390 1.00 0.00 C +ATOM 227 CE2 TYR A 18 3.411 -6.016 8.703 1.00 0.00 C +ATOM 228 CZ TYR A 18 3.501 -5.529 9.970 1.00 0.00 C +ATOM 229 OH TYR A 18 4.307 -6.173 10.857 1.00 0.00 O +ATOM 230 H TYR A 18 -0.703 -5.202 7.724 1.00 0.00 H +ATOM 231 HA TYR A 18 -0.403 -2.427 8.544 1.00 0.00 H +ATOM 232 HB2 TYR A 18 0.822 -4.119 6.278 1.00 0.00 H +ATOM 233 HB3 TYR A 18 1.443 -2.577 6.833 1.00 0.00 H +ATOM 234 HD1 TYR A 18 1.414 -2.862 9.762 1.00 0.00 H +ATOM 235 HD2 TYR A 18 2.467 -5.705 6.743 1.00 0.00 H +ATOM 236 HE1 TYR A 18 2.922 -4.070 11.415 1.00 0.00 H +ATOM 237 HE2 TYR A 18 3.972 -6.902 8.406 1.00 0.00 H +ATOM 238 HH TYR A 18 5.031 -5.558 11.169 1.00 0.00 H +ATOM 239 N HIS A 19 -1.661 -1.297 6.761 1.00 0.00 N +ATOM 240 CA HIS A 19 -2.479 -0.617 5.771 1.00 0.00 C +ATOM 241 C HIS A 19 -1.626 -0.279 4.546 1.00 0.00 C +ATOM 242 O HIS A 19 -0.801 0.632 4.592 1.00 0.00 O +ATOM 243 CB HIS A 19 -3.158 0.612 6.378 1.00 0.00 C +ATOM 244 CG HIS A 19 -3.953 0.320 7.628 1.00 0.00 C +ATOM 245 ND1 HIS A 19 -5.106 1.008 7.961 1.00 0.00 N +ATOM 246 CD2 HIS A 19 -3.748 -0.593 8.621 1.00 0.00 C +ATOM 247 CE1 HIS A 19 -5.567 0.523 9.105 1.00 0.00 C +ATOM 248 NE2 HIS A 19 -4.724 -0.468 9.513 1.00 0.00 N +ATOM 249 H HIS A 19 -1.413 -0.744 7.556 1.00 0.00 H +ATOM 250 HA HIS A 19 -3.260 -1.317 5.476 1.00 0.00 H +ATOM 251 HB2 HIS A 19 -2.397 1.358 6.609 1.00 0.00 H +ATOM 252 HB3 HIS A 19 -3.820 1.053 5.633 1.00 0.00 H +ATOM 253 HD1 HIS A 19 -5.522 1.745 7.428 1.00 0.00 H +ATOM 254 HD2 HIS A 19 -2.924 -1.304 8.673 1.00 0.00 H +ATOM 255 HE1 HIS A 19 -6.463 0.858 9.628 1.00 0.00 H +ATOM 256 N TYR A 20 -1.855 -1.031 3.479 1.00 0.00 N +ATOM 257 CA TYR A 20 -1.119 -0.823 2.245 1.00 0.00 C +ATOM 258 C TYR A 20 -2.060 -0.431 1.104 1.00 0.00 C +ATOM 259 O TYR A 20 -3.277 -0.560 1.227 1.00 0.00 O +ATOM 260 CB TYR A 20 -0.465 -2.166 1.912 1.00 0.00 C +ATOM 261 CG TYR A 20 -1.359 -3.110 1.106 1.00 0.00 C +ATOM 262 CD1 TYR A 20 -2.409 -3.760 1.721 1.00 0.00 C +ATOM 263 CD2 TYR A 20 -1.115 -3.312 -0.238 1.00 0.00 C +ATOM 264 CE1 TYR A 20 -3.250 -4.649 0.963 1.00 0.00 C +ATOM 265 CE2 TYR A 20 -1.956 -4.201 -0.997 1.00 0.00 C +ATOM 266 CZ TYR A 20 -2.982 -4.826 -0.359 1.00 0.00 C +ATOM 267 OH TYR A 20 -3.776 -5.665 -1.076 1.00 0.00 O +ATOM 268 H TYR A 20 -2.528 -1.770 3.451 1.00 0.00 H +ATOM 269 HA TYR A 20 -0.405 -0.016 2.410 1.00 0.00 H +ATOM 270 HB2 TYR A 20 0.452 -1.983 1.351 1.00 0.00 H +ATOM 271 HB3 TYR A 20 -0.178 -2.658 2.841 1.00 0.00 H +ATOM 272 HD1 TYR A 20 -2.602 -3.600 2.782 1.00 0.00 H +ATOM 273 HD2 TYR A 20 -0.285 -2.799 -0.724 1.00 0.00 H +ATOM 274 HE1 TYR A 20 -4.083 -5.168 1.437 1.00 0.00 H +ATOM 275 HE2 TYR A 20 -1.774 -4.370 -2.058 1.00 0.00 H +ATOM 276 HH TYR A 20 -3.252 -6.080 -1.820 1.00 0.00 H +ATOM 277 N TYR A 21 -1.461 0.040 0.020 1.00 0.00 N +ATOM 278 CA TYR A 21 -2.231 0.451 -1.142 1.00 0.00 C +ATOM 279 C TYR A 21 -1.863 -0.386 -2.368 1.00 0.00 C +ATOM 280 O TYR A 21 -0.692 -0.476 -2.734 1.00 0.00 O +ATOM 281 CB TYR A 21 -1.852 1.910 -1.403 1.00 0.00 C +ATOM 282 CG TYR A 21 -2.063 2.833 -0.201 1.00 0.00 C +ATOM 283 CD1 TYR A 21 -3.331 3.022 0.310 1.00 0.00 C +ATOM 284 CD2 TYR A 21 -0.984 3.476 0.372 1.00 0.00 C +ATOM 285 CE1 TYR A 21 -3.529 3.891 1.442 1.00 0.00 C +ATOM 286 CE2 TYR A 21 -1.182 4.345 1.504 1.00 0.00 C +ATOM 287 CZ TYR A 21 -2.445 4.509 1.983 1.00 0.00 C +ATOM 288 OH TYR A 21 -2.632 5.329 3.051 1.00 0.00 O +ATOM 289 H TYR A 21 -0.471 0.142 -0.072 1.00 0.00 H +ATOM 290 HA TYR A 21 -3.287 0.305 -0.914 1.00 0.00 H +ATOM 291 HB2 TYR A 21 -0.805 1.955 -1.704 1.00 0.00 H +ATOM 292 HB3 TYR A 21 -2.440 2.283 -2.242 1.00 0.00 H +ATOM 293 HD1 TYR A 21 -4.182 2.514 -0.143 1.00 0.00 H +ATOM 294 HD2 TYR A 21 0.017 3.327 -0.031 1.00 0.00 H +ATOM 295 HE1 TYR A 21 -4.525 4.049 1.855 1.00 0.00 H +ATOM 296 HE2 TYR A 21 -0.340 4.859 1.966 1.00 0.00 H +ATOM 297 HH TYR A 21 -2.513 4.816 3.901 1.00 0.00 H +ATOM 298 N TYR A 22 -2.885 -0.978 -2.968 1.00 0.00 N +ATOM 299 CA TYR A 22 -2.684 -1.806 -4.146 1.00 0.00 C +ATOM 300 C TYR A 22 -3.045 -1.041 -5.421 1.00 0.00 C +ATOM 301 O TYR A 22 -3.733 -0.023 -5.365 1.00 0.00 O +ATOM 302 CB TYR A 22 -3.634 -2.995 -3.992 1.00 0.00 C +ATOM 303 CG TYR A 22 -4.004 -3.671 -5.315 1.00 0.00 C +ATOM 304 CD1 TYR A 22 -3.213 -4.684 -5.817 1.00 0.00 C +ATOM 305 CD2 TYR A 22 -5.128 -3.266 -6.005 1.00 0.00 C +ATOM 306 CE1 TYR A 22 -3.561 -5.320 -7.061 1.00 0.00 C +ATOM 307 CE2 TYR A 22 -5.477 -3.902 -7.249 1.00 0.00 C +ATOM 308 CZ TYR A 22 -4.676 -4.897 -7.716 1.00 0.00 C +ATOM 309 OH TYR A 22 -5.005 -5.498 -8.891 1.00 0.00 O +ATOM 310 H TYR A 22 -3.834 -0.900 -2.664 1.00 0.00 H +ATOM 311 HA TYR A 22 -1.632 -2.086 -4.184 1.00 0.00 H +ATOM 312 HB2 TYR A 22 -3.173 -3.733 -3.336 1.00 0.00 H +ATOM 313 HB3 TYR A 22 -4.546 -2.658 -3.501 1.00 0.00 H +ATOM 314 HD1 TYR A 22 -2.325 -5.004 -5.271 1.00 0.00 H +ATOM 315 HD2 TYR A 22 -5.753 -2.466 -5.608 1.00 0.00 H +ATOM 316 HE1 TYR A 22 -2.946 -6.122 -7.469 1.00 0.00 H +ATOM 317 HE2 TYR A 22 -6.362 -3.592 -7.805 1.00 0.00 H +ATOM 318 HH TYR A 22 -4.380 -5.201 -9.613 1.00 0.00 H +ATOM 319 N ASP A 23 -2.565 -1.562 -6.541 1.00 0.00 N +ATOM 320 CA ASP A 23 -2.828 -0.941 -7.828 1.00 0.00 C +ATOM 321 C ASP A 23 -3.652 -1.898 -8.692 1.00 0.00 C +ATOM 322 O ASP A 23 -3.277 -3.055 -8.874 1.00 0.00 O +ATOM 323 CB ASP A 23 -1.525 -0.638 -8.570 1.00 0.00 C +ATOM 324 CG ASP A 23 -1.147 0.843 -8.635 1.00 0.00 C +ATOM 325 OD1 ASP A 23 -2.079 1.671 -8.539 1.00 0.00 O +ATOM 326 OD2 ASP A 23 0.064 1.114 -8.779 1.00 0.00 O +ATOM 327 H ASP A 23 -2.006 -2.391 -6.578 1.00 0.00 H +ATOM 328 HA ASP A 23 -3.364 -0.021 -7.598 1.00 0.00 H +ATOM 329 HB2 ASP A 23 -0.714 -1.183 -8.087 1.00 0.00 H +ATOM 330 HB3 ASP A 23 -1.606 -1.022 -9.587 1.00 0.00 H +ATOM 331 N LEU A 24 -4.760 -1.380 -9.201 1.00 0.00 N +ATOM 332 CA LEU A 24 -5.640 -2.174 -10.041 1.00 0.00 C +ATOM 333 C LEU A 24 -5.227 -2.009 -11.505 1.00 0.00 C +ATOM 334 O LEU A 24 -5.436 -2.908 -12.317 1.00 0.00 O +ATOM 335 CB LEU A 24 -7.104 -1.817 -9.772 1.00 0.00 C +ATOM 336 CG LEU A 24 -7.365 -0.399 -9.259 1.00 0.00 C +ATOM 337 CD1 LEU A 24 -8.762 0.080 -9.658 1.00 0.00 C +ATOM 338 CD2 LEU A 24 -7.139 -0.312 -7.748 1.00 0.00 C +ATOM 339 H LEU A 24 -5.058 -0.438 -9.048 1.00 0.00 H +ATOM 340 HA LEU A 24 -5.507 -3.218 -9.759 1.00 0.00 H +ATOM 341 HB2 LEU A 24 -7.667 -1.958 -10.694 1.00 0.00 H +ATOM 342 HB3 LEU A 24 -7.502 -2.524 -9.044 1.00 0.00 H +ATOM 343 HG LEU A 24 -6.647 0.273 -9.731 1.00 0.00 H +ATOM 344 HD11 LEU A 24 -9.268 -0.705 -10.221 1.00 0.00 H +ATOM 345 HD12 LEU A 24 -9.337 0.312 -8.761 1.00 0.00 H +ATOM 346 HD13 LEU A 24 -8.677 0.974 -10.276 1.00 0.00 H +ATOM 347 HD21 LEU A 24 -6.644 0.630 -7.509 1.00 0.00 H +ATOM 348 HD22 LEU A 24 -8.099 -0.359 -7.234 1.00 0.00 H +ATOM 349 HD23 LEU A 24 -6.512 -1.143 -7.426 1.00 0.00 H +ATOM 350 N ILE A 25 -4.646 -0.854 -11.796 1.00 0.00 N +ATOM 351 CA ILE A 25 -4.201 -0.561 -13.147 1.00 0.00 C +ATOM 352 C ILE A 25 -3.644 -1.835 -13.785 1.00 0.00 C +ATOM 353 O ILE A 25 -4.223 -2.364 -14.732 1.00 0.00 O +ATOM 354 CB ILE A 25 -3.213 0.608 -13.144 1.00 0.00 C +ATOM 355 CG1 ILE A 25 -3.873 1.883 -12.615 1.00 0.00 C +ATOM 356 CG2 ILE A 25 -2.601 0.813 -14.531 1.00 0.00 C +ATOM 357 CD1 ILE A 25 -3.411 2.189 -11.189 1.00 0.00 C +ATOM 358 H ILE A 25 -4.479 -0.128 -11.129 1.00 0.00 H +ATOM 359 HA ILE A 25 -5.074 -0.243 -13.717 1.00 0.00 H +ATOM 360 HB ILE A 25 -2.396 0.363 -12.465 1.00 0.00 H +ATOM 361 HG12 ILE A 25 -3.630 2.721 -13.268 1.00 0.00 H +ATOM 362 HG13 ILE A 25 -4.957 1.769 -12.633 1.00 0.00 H +ATOM 363 HG21 ILE A 25 -2.116 1.788 -14.574 1.00 0.00 H +ATOM 364 HG22 ILE A 25 -1.865 0.032 -14.723 1.00 0.00 H +ATOM 365 HG23 ILE A 25 -3.386 0.764 -15.286 1.00 0.00 H +ATOM 366 HD11 ILE A 25 -4.220 2.672 -10.641 1.00 0.00 H +ATOM 367 HD12 ILE A 25 -3.136 1.260 -10.689 1.00 0.00 H +ATOM 368 HD13 ILE A 25 -2.547 2.853 -11.222 1.00 0.00 H +ATOM 369 N SER A 26 -2.525 -2.291 -13.240 1.00 0.00 N +ATOM 370 CA SER A 26 -1.884 -3.493 -13.743 1.00 0.00 C +ATOM 371 C SER A 26 -1.767 -4.531 -12.625 1.00 0.00 C +ATOM 372 O SER A 26 -1.930 -5.727 -12.864 1.00 0.00 O +ATOM 373 CB SER A 26 -0.503 -3.179 -14.322 1.00 0.00 C +ATOM 374 OG SER A 26 -0.441 -3.433 -15.723 1.00 0.00 O +ATOM 375 H SER A 26 -2.060 -1.854 -12.470 1.00 0.00 H +ATOM 376 HA SER A 26 -2.536 -3.858 -14.537 1.00 0.00 H +ATOM 377 HB2 SER A 26 -0.259 -2.134 -14.132 1.00 0.00 H +ATOM 378 HB3 SER A 26 0.250 -3.780 -13.811 1.00 0.00 H +ATOM 379 HG SER A 26 0.385 -3.023 -16.109 1.00 0.00 H +ATOM 380 N GLY A 27 -1.484 -4.036 -11.429 1.00 0.00 N +ATOM 381 CA GLY A 27 -1.343 -4.906 -10.273 1.00 0.00 C +ATOM 382 C GLY A 27 -0.045 -4.611 -9.520 1.00 0.00 C +ATOM 383 O GLY A 27 0.751 -5.515 -9.270 1.00 0.00 O +ATOM 384 H GLY A 27 -1.353 -3.063 -11.243 1.00 0.00 H +ATOM 385 HA2 GLY A 27 -2.194 -4.770 -9.606 1.00 0.00 H +ATOM 386 HA3 GLY A 27 -1.353 -5.948 -10.594 1.00 0.00 H +ATOM 387 N ALA A 28 0.130 -3.343 -9.180 1.00 0.00 N +ATOM 388 CA ALA A 28 1.318 -2.917 -8.460 1.00 0.00 C +ATOM 389 C ALA A 28 0.999 -2.826 -6.967 1.00 0.00 C +ATOM 390 O ALA A 28 -0.153 -2.979 -6.564 1.00 0.00 O +ATOM 391 CB ALA A 28 1.814 -1.588 -9.033 1.00 0.00 C +ATOM 392 H ALA A 28 -0.523 -2.613 -9.387 1.00 0.00 H +ATOM 393 HA ALA A 28 2.087 -3.674 -8.614 1.00 0.00 H +ATOM 394 HB1 ALA A 28 2.456 -1.095 -8.304 1.00 0.00 H +ATOM 395 HB2 ALA A 28 2.378 -1.774 -9.947 1.00 0.00 H +ATOM 396 HB3 ALA A 28 0.960 -0.948 -9.257 1.00 0.00 H +ATOM 397 N SER A 29 2.041 -2.577 -6.186 1.00 0.00 N +ATOM 398 CA SER A 29 1.886 -2.463 -4.746 1.00 0.00 C +ATOM 399 C SER A 29 2.949 -1.519 -4.178 1.00 0.00 C +ATOM 400 O SER A 29 4.043 -1.408 -4.729 1.00 0.00 O +ATOM 401 CB SER A 29 1.979 -3.833 -4.072 1.00 0.00 C +ATOM 402 OG SER A 29 3.239 -4.457 -4.302 1.00 0.00 O +ATOM 403 H SER A 29 2.974 -2.453 -6.522 1.00 0.00 H +ATOM 404 HA SER A 29 0.888 -2.051 -4.594 1.00 0.00 H +ATOM 405 HB2 SER A 29 1.820 -3.721 -2.999 1.00 0.00 H +ATOM 406 HB3 SER A 29 1.182 -4.476 -4.446 1.00 0.00 H +ATOM 407 HG SER A 29 3.733 -3.973 -5.024 1.00 0.00 H +ATOM 408 N GLN A 30 2.589 -0.864 -3.084 1.00 0.00 N +ATOM 409 CA GLN A 30 3.498 0.066 -2.436 1.00 0.00 C +ATOM 410 C GLN A 30 3.020 0.371 -1.015 1.00 0.00 C +ATOM 411 O GLN A 30 1.818 0.416 -0.756 1.00 0.00 O +ATOM 412 CB GLN A 30 3.643 1.351 -3.254 1.00 0.00 C +ATOM 413 CG GLN A 30 4.021 2.531 -2.358 1.00 0.00 C +ATOM 414 CD GLN A 30 4.541 3.706 -3.189 1.00 0.00 C +ATOM 415 OE1 GLN A 30 5.140 3.540 -4.239 1.00 0.00 O +ATOM 416 NE2 GLN A 30 4.280 4.899 -2.662 1.00 0.00 N +ATOM 417 H GLN A 30 1.697 -0.961 -2.643 1.00 0.00 H +ATOM 418 HA GLN A 30 4.460 -0.446 -2.401 1.00 0.00 H +ATOM 419 HB2 GLN A 30 4.404 1.213 -4.022 1.00 0.00 H +ATOM 420 HB3 GLN A 30 2.706 1.566 -3.769 1.00 0.00 H +ATOM 421 HG2 GLN A 30 3.153 2.847 -1.780 1.00 0.00 H +ATOM 422 HG3 GLN A 30 4.784 2.221 -1.644 1.00 0.00 H +ATOM 423 HE21 GLN A 30 3.784 4.966 -1.797 1.00 0.00 H +ATOM 424 HE22 GLN A 30 4.579 5.730 -3.132 1.00 0.00 H +ATOM 425 N TRP A 31 3.986 0.574 -0.131 1.00 0.00 N +ATOM 426 CA TRP A 31 3.679 0.874 1.257 1.00 0.00 C +ATOM 427 C TRP A 31 3.269 2.345 1.343 1.00 0.00 C +ATOM 428 O TRP A 31 2.164 2.660 1.783 1.00 0.00 O +ATOM 429 CB TRP A 31 4.860 0.529 2.166 1.00 0.00 C +ATOM 430 CG TRP A 31 5.554 -0.788 1.813 1.00 0.00 C +ATOM 431 CD1 TRP A 31 6.823 -0.973 1.423 1.00 0.00 C +ATOM 432 CD2 TRP A 31 4.962 -2.104 1.833 1.00 0.00 C +ATOM 433 NE1 TRP A 31 7.091 -2.307 1.191 1.00 0.00 N +ATOM 434 CE2 TRP A 31 5.923 -3.016 1.449 1.00 0.00 C +ATOM 435 CE3 TRP A 31 3.658 -2.510 2.165 1.00 0.00 C +ATOM 436 CZ2 TRP A 31 5.682 -4.393 1.360 1.00 0.00 C +ATOM 437 CZ3 TRP A 31 3.432 -3.888 2.072 1.00 0.00 C +ATOM 438 CH2 TRP A 31 4.389 -4.820 1.686 1.00 0.00 C +ATOM 439 H TRP A 31 4.961 0.536 -0.350 1.00 0.00 H +ATOM 440 HA TRP A 31 2.849 0.237 1.560 1.00 0.00 H +ATOM 441 HB2 TRP A 31 5.591 1.337 2.118 1.00 0.00 H +ATOM 442 HB3 TRP A 31 4.509 0.478 3.197 1.00 0.00 H +ATOM 443 HD1 TRP A 31 7.551 -0.172 1.304 1.00 0.00 H +ATOM 444 HE1 TRP A 31 8.043 -2.727 0.867 1.00 0.00 H +ATOM 445 HE3 TRP A 31 2.881 -1.809 2.472 1.00 0.00 H +ATOM 446 HZ2 TRP A 31 6.458 -5.093 1.054 1.00 0.00 H +ATOM 447 HZ3 TRP A 31 2.437 -4.257 2.318 1.00 0.00 H +ATOM 448 HH2 TRP A 31 4.134 -5.879 1.638 1.00 0.00 H +ATOM 449 N GLU A 32 4.179 3.207 0.915 1.00 0.00 N +ATOM 450 CA GLU A 32 3.926 4.638 0.938 1.00 0.00 C +ATOM 451 C GLU A 32 2.588 4.950 0.264 1.00 0.00 C +ATOM 452 O GLU A 32 2.014 4.096 -0.410 1.00 0.00 O +ATOM 453 CB GLU A 32 5.068 5.408 0.274 1.00 0.00 C +ATOM 454 CG GLU A 32 5.873 6.197 1.310 1.00 0.00 C +ATOM 455 CD GLU A 32 6.465 7.466 0.693 1.00 0.00 C +ATOM 456 OE1 GLU A 32 7.398 7.317 -0.125 1.00 0.00 O +ATOM 457 OE2 GLU A 32 5.971 8.556 1.054 1.00 0.00 O +ATOM 458 H GLU A 32 5.075 2.943 0.558 1.00 0.00 H +ATOM 459 HA GLU A 32 3.879 4.907 1.994 1.00 0.00 H +ATOM 460 HB2 GLU A 32 5.725 4.713 -0.249 1.00 0.00 H +ATOM 461 HB3 GLU A 32 4.665 6.090 -0.475 1.00 0.00 H +ATOM 462 HG2 GLU A 32 5.230 6.462 2.149 1.00 0.00 H +ATOM 463 HG3 GLU A 32 6.673 5.572 1.706 1.00 0.00 H +ATOM 464 N LYS A 33 2.131 6.177 0.468 1.00 0.00 N +ATOM 465 CA LYS A 33 0.873 6.613 -0.112 1.00 0.00 C +ATOM 466 C LYS A 33 1.124 7.146 -1.524 1.00 0.00 C +ATOM 467 O LYS A 33 2.083 7.882 -1.752 1.00 0.00 O +ATOM 468 CB LYS A 33 0.177 7.617 0.810 1.00 0.00 C +ATOM 469 CG LYS A 33 -1.299 7.771 0.438 1.00 0.00 C +ATOM 470 CD LYS A 33 -1.984 8.808 1.331 1.00 0.00 C +ATOM 471 CE LYS A 33 -2.112 8.297 2.767 1.00 0.00 C +ATOM 472 NZ LYS A 33 -1.492 9.250 3.714 1.00 0.00 N +ATOM 473 H LYS A 33 2.605 6.866 1.017 1.00 0.00 H +ATOM 474 HA LYS A 33 0.225 5.739 -0.183 1.00 0.00 H +ATOM 475 HB2 LYS A 33 0.263 7.287 1.845 1.00 0.00 H +ATOM 476 HB3 LYS A 33 0.675 8.584 0.742 1.00 0.00 H +ATOM 477 HG2 LYS A 33 -1.386 8.070 -0.606 1.00 0.00 H +ATOM 478 HG3 LYS A 33 -1.805 6.810 0.537 1.00 0.00 H +ATOM 479 HD2 LYS A 33 -1.412 9.736 1.321 1.00 0.00 H +ATOM 480 HD3 LYS A 33 -2.972 9.039 0.933 1.00 0.00 H +ATOM 481 HE2 LYS A 33 -3.164 8.158 3.017 1.00 0.00 H +ATOM 482 HE3 LYS A 33 -1.632 7.322 2.856 1.00 0.00 H +ATOM 483 HZ1 LYS A 33 -0.631 8.871 4.053 1.00 0.00 H +ATOM 484 HZ2 LYS A 33 -1.314 10.116 3.246 1.00 0.00 H +ATOM 485 HZ3 LYS A 33 -2.113 9.408 4.482 1.00 0.00 H +ATOM 486 N PRO A 34 0.223 6.744 -2.459 1.00 0.00 N +ATOM 487 CA PRO A 34 0.338 7.173 -3.843 1.00 0.00 C +ATOM 488 C PRO A 34 -0.096 8.632 -4.002 1.00 0.00 C +ATOM 489 O PRO A 34 -0.782 9.177 -3.139 1.00 0.00 O +ATOM 490 CB PRO A 34 -0.532 6.206 -4.629 1.00 0.00 C +ATOM 491 CG PRO A 34 -1.464 5.564 -3.613 1.00 0.00 C +ATOM 492 CD PRO A 34 -0.925 5.873 -2.226 1.00 0.00 C +ATOM 493 HA PRO A 34 1.292 7.138 -4.139 1.00 0.00 H +ATOM 494 HB2 PRO A 34 -1.096 6.727 -5.402 1.00 0.00 H +ATOM 495 HB3 PRO A 34 0.076 5.453 -5.131 1.00 0.00 H +ATOM 496 HG2 PRO A 34 -2.476 5.953 -3.725 1.00 0.00 H +ATOM 497 HG3 PRO A 34 -1.517 4.487 -3.771 1.00 0.00 H +ATOM 498 HD2 PRO A 34 -1.677 6.366 -1.610 1.00 0.00 H +ATOM 499 HD3 PRO A 34 -0.632 4.962 -1.704 1.00 0.00 H +ATOM 500 N GLU A 35 0.322 9.222 -5.112 1.00 0.00 N +ATOM 501 CA GLU A 35 -0.015 10.607 -5.396 1.00 0.00 C +ATOM 502 C GLU A 35 -1.533 10.780 -5.467 1.00 0.00 C +ATOM 503 O GLU A 35 -2.220 10.001 -6.127 1.00 0.00 O +ATOM 504 CB GLU A 35 0.653 11.080 -6.688 1.00 0.00 C +ATOM 505 CG GLU A 35 1.382 12.408 -6.475 1.00 0.00 C +ATOM 506 CD GLU A 35 2.823 12.174 -6.016 1.00 0.00 C +ATOM 507 OE1 GLU A 35 3.634 11.769 -6.876 1.00 0.00 O +ATOM 508 OE2 GLU A 35 3.081 12.406 -4.815 1.00 0.00 O +ATOM 509 H GLU A 35 0.880 8.772 -5.809 1.00 0.00 H +ATOM 510 HA GLU A 35 0.384 11.179 -4.558 1.00 0.00 H +ATOM 511 HB2 GLU A 35 1.358 10.325 -7.035 1.00 0.00 H +ATOM 512 HB3 GLU A 35 -0.099 11.196 -7.469 1.00 0.00 H +ATOM 513 HG2 GLU A 35 1.381 12.981 -7.402 1.00 0.00 H +ATOM 514 HG3 GLU A 35 0.852 13.003 -5.731 1.00 0.00 H +ATOM 515 N GLY A 36 -2.013 11.806 -4.779 1.00 0.00 N +ATOM 516 CA GLY A 36 -3.438 12.091 -4.757 1.00 0.00 C +ATOM 517 C GLY A 36 -4.255 10.798 -4.704 1.00 0.00 C +ATOM 518 O GLY A 36 -5.075 10.541 -5.584 1.00 0.00 O +ATOM 519 H GLY A 36 -1.448 12.434 -4.245 1.00 0.00 H +ATOM 520 HA2 GLY A 36 -3.675 12.710 -3.892 1.00 0.00 H +ATOM 521 HA3 GLY A 36 -3.712 12.662 -5.643 1.00 0.00 H +ATOM 522 N PHE A 37 -4.002 10.018 -3.663 1.00 0.00 N +ATOM 523 CA PHE A 37 -4.704 8.759 -3.484 1.00 0.00 C +ATOM 524 C PHE A 37 -6.183 8.995 -3.167 1.00 0.00 C +ATOM 525 O PHE A 37 -7.059 8.444 -3.832 1.00 0.00 O +ATOM 526 CB PHE A 37 -4.049 8.046 -2.299 1.00 0.00 C +ATOM 527 CG PHE A 37 -4.853 6.860 -1.764 1.00 0.00 C +ATOM 528 CD1 PHE A 37 -5.389 5.957 -2.629 1.00 0.00 C +ATOM 529 CD2 PHE A 37 -5.032 6.708 -0.425 1.00 0.00 C +ATOM 530 CE1 PHE A 37 -6.136 4.855 -2.132 1.00 0.00 C +ATOM 531 CE2 PHE A 37 -5.779 5.606 0.072 1.00 0.00 C +ATOM 532 CZ PHE A 37 -6.315 4.703 -0.793 1.00 0.00 C +ATOM 533 H PHE A 37 -3.334 10.235 -2.951 1.00 0.00 H +ATOM 534 HA PHE A 37 -4.619 8.205 -4.419 1.00 0.00 H +ATOM 535 HB2 PHE A 37 -3.061 7.697 -2.599 1.00 0.00 H +ATOM 536 HB3 PHE A 37 -3.901 8.765 -1.492 1.00 0.00 H +ATOM 537 HD1 PHE A 37 -5.246 6.078 -3.702 1.00 0.00 H +ATOM 538 HD2 PHE A 37 -4.603 7.431 0.268 1.00 0.00 H +ATOM 539 HE1 PHE A 37 -6.565 4.132 -2.825 1.00 0.00 H +ATOM 540 HE2 PHE A 37 -5.922 5.484 1.145 1.00 0.00 H +ATOM 541 HZ PHE A 37 -6.888 3.858 -0.412 1.00 0.00 H +ATOM 542 N GLN A 38 -6.414 9.815 -2.152 1.00 0.00 N +ATOM 543 CA GLN A 38 -7.771 10.130 -1.740 1.00 0.00 C +ATOM 544 C GLN A 38 -8.641 8.873 -1.770 1.00 0.00 C +ATOM 545 O GLN A 38 -9.326 8.611 -2.759 1.00 0.00 O +ATOM 546 CB GLN A 38 -8.368 11.232 -2.617 1.00 0.00 C +ATOM 547 CG GLN A 38 -8.171 10.918 -4.102 1.00 0.00 C +ATOM 548 CD GLN A 38 -8.841 11.977 -4.980 1.00 0.00 C +ATOM 549 OE1 GLN A 38 -8.213 12.634 -5.794 1.00 0.00 O +ATOM 550 NE2 GLN A 38 -10.148 12.106 -4.770 1.00 0.00 N +ATOM 551 H GLN A 38 -5.695 10.258 -1.617 1.00 0.00 H +ATOM 552 HA GLN A 38 -7.685 10.496 -0.717 1.00 0.00 H +ATOM 553 HB2 GLN A 38 -9.432 11.337 -2.402 1.00 0.00 H +ATOM 554 HB3 GLN A 38 -7.899 12.187 -2.378 1.00 0.00 H +ATOM 555 HG2 GLN A 38 -7.106 10.873 -4.329 1.00 0.00 H +ATOM 556 HG3 GLN A 38 -8.588 9.937 -4.328 1.00 0.00 H +ATOM 557 HE21 GLN A 38 -10.603 11.536 -4.086 1.00 0.00 H +ATOM 558 HE22 GLN A 38 -10.675 12.773 -5.296 1.00 0.00 H +ATOM 559 N GLY A 39 -8.587 8.127 -0.676 1.00 0.00 N +ATOM 560 CA GLY A 39 -9.362 6.903 -0.565 1.00 0.00 C +ATOM 561 C GLY A 39 -9.613 6.544 0.900 1.00 0.00 C +ATOM 562 O GLY A 39 -8.961 5.654 1.445 1.00 0.00 O +ATOM 563 H GLY A 39 -8.028 8.347 0.123 1.00 0.00 H +ATOM 564 HA2 GLY A 39 -10.314 7.023 -1.082 1.00 0.00 H +ATOM 565 HA3 GLY A 39 -8.833 6.088 -1.058 1.00 0.00 H +ATOM 566 N ASP A 40 -10.559 7.254 1.497 1.00 0.00 N +ATOM 567 CA ASP A 40 -10.903 7.021 2.889 1.00 0.00 C +ATOM 568 C ASP A 40 -11.978 8.022 3.318 1.00 0.00 C +ATOM 569 O ASP A 40 -11.668 9.156 3.679 1.00 0.00 O +ATOM 570 CB ASP A 40 -9.688 7.215 3.798 1.00 0.00 C +ATOM 571 CG ASP A 40 -9.934 6.923 5.279 1.00 0.00 C +ATOM 572 OD1 ASP A 40 -9.776 5.743 5.659 1.00 0.00 O +ATOM 573 OD2 ASP A 40 -10.275 7.887 5.999 1.00 0.00 O +ATOM 574 H ASP A 40 -11.084 7.976 1.047 1.00 0.00 H +ATOM 575 HA ASP A 40 -11.254 5.990 2.929 1.00 0.00 H +ATOM 576 HB2 ASP A 40 -8.883 6.570 3.445 1.00 0.00 H +ATOM 577 HB3 ASP A 40 -9.339 8.243 3.699 1.00 0.00 H +ATOM 578 N LEU A 41 -13.221 7.565 3.266 1.00 0.00 N +ATOM 579 CA LEU A 41 -14.344 8.406 3.644 1.00 0.00 C +ATOM 580 C LEU A 41 -15.499 7.523 4.120 1.00 0.00 C +ATOM 581 O LEU A 41 -15.737 6.453 3.563 1.00 0.00 O +ATOM 582 CB LEU A 41 -14.720 9.347 2.497 1.00 0.00 C +ATOM 583 CG LEU A 41 -15.900 10.285 2.759 1.00 0.00 C +ATOM 584 CD1 LEU A 41 -15.431 11.585 3.415 1.00 0.00 C +ATOM 585 CD2 LEU A 41 -16.690 10.543 1.474 1.00 0.00 C +ATOM 586 H LEU A 41 -13.466 6.641 2.972 1.00 0.00 H +ATOM 587 HA LEU A 41 -14.019 9.029 4.478 1.00 0.00 H +ATOM 588 HB2 LEU A 41 -13.848 9.952 2.249 1.00 0.00 H +ATOM 589 HB3 LEU A 41 -14.949 8.743 1.619 1.00 0.00 H +ATOM 590 HG LEU A 41 -16.576 9.796 3.460 1.00 0.00 H +ATOM 591 HD11 LEU A 41 -14.800 12.137 2.718 1.00 0.00 H +ATOM 592 HD12 LEU A 41 -16.298 12.192 3.679 1.00 0.00 H +ATOM 593 HD13 LEU A 41 -14.862 11.353 4.315 1.00 0.00 H +ATOM 594 HD21 LEU A 41 -17.720 10.212 1.608 1.00 0.00 H +ATOM 595 HD22 LEU A 41 -16.678 11.610 1.249 1.00 0.00 H +ATOM 596 HD23 LEU A 41 -16.235 9.993 0.651 1.00 0.00 H +ATOM 597 N LYS A 42 -16.187 8.005 5.145 1.00 0.00 N +ATOM 598 CA LYS A 42 -17.312 7.273 5.701 1.00 0.00 C +ATOM 599 C LYS A 42 -16.896 5.823 5.955 1.00 0.00 C +ATOM 600 O LYS A 42 -17.377 4.909 5.287 1.00 0.00 O +ATOM 601 CB LYS A 42 -18.541 7.411 4.799 1.00 0.00 C +ATOM 602 CG LYS A 42 -19.304 8.701 5.106 1.00 0.00 C +ATOM 603 CD LYS A 42 -20.681 8.396 5.698 1.00 0.00 C +ATOM 604 CE LYS A 42 -21.260 9.625 6.402 1.00 0.00 C +ATOM 605 NZ LYS A 42 -22.662 9.849 5.984 1.00 0.00 N +ATOM 606 H LYS A 42 -15.988 8.877 5.592 1.00 0.00 H +ATOM 607 HA LYS A 42 -17.561 7.734 6.657 1.00 0.00 H +ATOM 608 HB2 LYS A 42 -18.232 7.407 3.754 1.00 0.00 H +ATOM 609 HB3 LYS A 42 -19.198 6.553 4.940 1.00 0.00 H +ATOM 610 HG2 LYS A 42 -18.730 9.310 5.805 1.00 0.00 H +ATOM 611 HG3 LYS A 42 -19.418 9.286 4.193 1.00 0.00 H +ATOM 612 HD2 LYS A 42 -21.358 8.074 4.906 1.00 0.00 H +ATOM 613 HD3 LYS A 42 -20.602 7.571 6.405 1.00 0.00 H +ATOM 614 HE2 LYS A 42 -21.214 9.488 7.482 1.00 0.00 H +ATOM 615 HE3 LYS A 42 -20.659 10.503 6.166 1.00 0.00 H +ATOM 616 HZ1 LYS A 42 -22.759 9.634 5.012 1.00 0.00 H +ATOM 617 HZ2 LYS A 42 -23.267 9.258 6.518 1.00 0.00 H +ATOM 618 HZ3 LYS A 42 -22.908 10.806 6.141 1.00 0.00 H +ATOM 619 N LYS A 43 -16.006 5.657 6.923 1.00 0.00 N +ATOM 620 CA LYS A 43 -15.520 4.334 7.274 1.00 0.00 C +ATOM 621 C LYS A 43 -16.633 3.556 7.978 1.00 0.00 C +ATOM 622 O LYS A 43 -17.121 3.974 9.026 1.00 0.00 O +ATOM 623 CB LYS A 43 -14.230 4.436 8.091 1.00 0.00 C +ATOM 624 CG LYS A 43 -14.494 5.080 9.454 1.00 0.00 C +ATOM 625 CD LYS A 43 -14.250 4.082 10.588 1.00 0.00 C +ATOM 626 CE LYS A 43 -12.903 4.341 11.266 1.00 0.00 C +ATOM 627 NZ LYS A 43 -12.927 3.862 12.666 1.00 0.00 N +ATOM 628 H LYS A 43 -15.620 6.406 7.462 1.00 0.00 H +ATOM 629 HA LYS A 43 -15.273 3.820 6.345 1.00 0.00 H +ATOM 630 HB2 LYS A 43 -13.803 3.443 8.230 1.00 0.00 H +ATOM 631 HB3 LYS A 43 -13.494 5.025 7.543 1.00 0.00 H +ATOM 632 HG2 LYS A 43 -13.847 5.947 9.582 1.00 0.00 H +ATOM 633 HG3 LYS A 43 -15.522 5.440 9.497 1.00 0.00 H +ATOM 634 HD2 LYS A 43 -15.052 4.158 11.323 1.00 0.00 H +ATOM 635 HD3 LYS A 43 -14.275 3.066 10.194 1.00 0.00 H +ATOM 636 HE2 LYS A 43 -12.110 3.835 10.716 1.00 0.00 H +ATOM 637 HE3 LYS A 43 -12.677 5.407 11.243 1.00 0.00 H +ATOM 638 HZ1 LYS A 43 -13.756 4.194 13.117 1.00 0.00 H +ATOM 639 HZ2 LYS A 43 -12.919 2.862 12.677 1.00 0.00 H +ATOM 640 HZ3 LYS A 43 -12.123 4.208 13.150 1.00 0.00 H +ATOM 641 N THR A 44 -17.003 2.437 7.372 1.00 0.00 N +ATOM 642 CA THR A 44 -18.050 1.596 7.927 1.00 0.00 C +ATOM 643 C THR A 44 -19.308 2.423 8.201 1.00 0.00 C +ATOM 644 O THR A 44 -19.679 2.632 9.355 1.00 0.00 O +ATOM 645 CB THR A 44 -17.492 0.907 9.174 1.00 0.00 C +ATOM 646 OG1 THR A 44 -16.539 -0.019 8.662 1.00 0.00 O +ATOM 647 CG2 THR A 44 -18.531 0.027 9.871 1.00 0.00 C +ATOM 648 H THR A 44 -16.602 2.103 6.519 1.00 0.00 H +ATOM 649 HA THR A 44 -18.317 0.844 7.185 1.00 0.00 H +ATOM 650 HB THR A 44 -17.073 1.637 9.867 1.00 0.00 H +ATOM 651 HG1 THR A 44 -15.854 -0.227 9.360 1.00 0.00 H +ATOM 652 HG21 THR A 44 -18.365 0.051 10.948 1.00 0.00 H +ATOM 653 HG22 THR A 44 -19.531 0.399 9.649 1.00 0.00 H +ATOM 654 HG23 THR A 44 -18.438 -0.999 9.512 1.00 0.00 H +ATOM 655 N SER A 45 -19.931 2.871 7.121 1.00 0.00 N +ATOM 656 CA SER A 45 -21.139 3.670 7.230 1.00 0.00 C +ATOM 657 C SER A 45 -22.078 3.362 6.062 1.00 0.00 C +ATOM 658 O SER A 45 -21.649 2.822 5.043 1.00 0.00 O +ATOM 659 CB SER A 45 -20.811 5.163 7.267 1.00 0.00 C +ATOM 660 OG SER A 45 -21.890 5.935 7.788 1.00 0.00 O +ATOM 661 H SER A 45 -19.623 2.696 6.185 1.00 0.00 H +ATOM 662 HA SER A 45 -21.595 3.375 8.175 1.00 0.00 H +ATOM 663 HB2 SER A 45 -19.922 5.324 7.879 1.00 0.00 H +ATOM 664 HB3 SER A 45 -20.572 5.507 6.261 1.00 0.00 H +ATOM 665 HG SER A 45 -22.289 5.473 8.580 1.00 0.00 H +ATOM 666 N GLY A 46 -23.340 3.718 6.248 1.00 0.00 N +ATOM 667 CA GLY A 46 -24.343 3.486 5.223 1.00 0.00 C +ATOM 668 C GLY A 46 -24.687 1.999 5.118 1.00 0.00 C +ATOM 669 O GLY A 46 -24.442 1.234 6.050 1.00 0.00 O +ATOM 670 H GLY A 46 -23.680 4.156 7.080 1.00 0.00 H +ATOM 671 HA2 GLY A 46 -25.243 4.056 5.453 1.00 0.00 H +ATOM 672 HA3 GLY A 46 -23.975 3.846 4.262 1.00 0.00 H +ATOM 673 N PRO A 47 -25.265 1.624 3.946 1.00 0.00 N +ATOM 674 CA PRO A 47 -25.646 0.242 3.707 1.00 0.00 C +ATOM 675 C PRO A 47 -24.417 -0.623 3.418 1.00 0.00 C +ATOM 676 O PRO A 47 -24.315 -1.746 3.909 1.00 0.00 O +ATOM 677 CB PRO A 47 -26.621 0.298 2.542 1.00 0.00 C +ATOM 678 CG PRO A 47 -26.394 1.644 1.874 1.00 0.00 C +ATOM 679 CD PRO A 47 -25.571 2.502 2.820 1.00 0.00 C +ATOM 680 HA PRO A 47 -26.068 -0.148 4.526 1.00 0.00 H +ATOM 681 HB2 PRO A 47 -26.442 -0.520 1.844 1.00 0.00 H +ATOM 682 HB3 PRO A 47 -27.650 0.202 2.889 1.00 0.00 H +ATOM 683 HG2 PRO A 47 -25.874 1.516 0.924 1.00 0.00 H +ATOM 684 HG3 PRO A 47 -27.347 2.125 1.653 1.00 0.00 H +ATOM 685 HD2 PRO A 47 -24.661 2.861 2.339 1.00 0.00 H +ATOM 686 HD3 PRO A 47 -26.128 3.381 3.144 1.00 0.00 H +ATOM 687 N SER A 48 -23.516 -0.067 2.623 1.00 0.00 N +ATOM 688 CA SER A 48 -22.298 -0.773 2.262 1.00 0.00 C +ATOM 689 C SER A 48 -21.303 -0.726 3.423 1.00 0.00 C +ATOM 690 O SER A 48 -20.757 0.331 3.735 1.00 0.00 O +ATOM 691 CB SER A 48 -21.670 -0.179 1.000 1.00 0.00 C +ATOM 692 OG SER A 48 -20.433 -0.807 0.673 1.00 0.00 O +ATOM 693 H SER A 48 -23.606 0.848 2.228 1.00 0.00 H +ATOM 694 HA SER A 48 -22.608 -1.799 2.065 1.00 0.00 H +ATOM 695 HB2 SER A 48 -22.363 -0.287 0.165 1.00 0.00 H +ATOM 696 HB3 SER A 48 -21.508 0.889 1.144 1.00 0.00 H +ATOM 697 HG SER A 48 -19.770 -0.659 1.407 1.00 0.00 H +ATOM 698 N SER A 49 -21.097 -1.885 4.032 1.00 0.00 N +ATOM 699 CA SER A 49 -20.176 -1.989 5.151 1.00 0.00 C +ATOM 700 C SER A 49 -18.777 -2.348 4.647 1.00 0.00 C +ATOM 701 O SER A 49 -18.632 -2.944 3.580 1.00 0.00 O +ATOM 702 CB SER A 49 -20.658 -3.029 6.165 1.00 0.00 C +ATOM 703 OG SER A 49 -21.011 -4.260 5.541 1.00 0.00 O +ATOM 704 H SER A 49 -21.545 -2.740 3.772 1.00 0.00 H +ATOM 705 HA SER A 49 -20.174 -1.003 5.616 1.00 0.00 H +ATOM 706 HB2 SER A 49 -19.874 -3.207 6.902 1.00 0.00 H +ATOM 707 HB3 SER A 49 -21.520 -2.636 6.705 1.00 0.00 H +ATOM 708 HG SER A 49 -20.188 -4.728 5.218 1.00 0.00 H +ATOM 709 N GLY A 50 -17.783 -1.971 5.437 1.00 0.00 N +ATOM 710 CA GLY A 50 -16.401 -2.246 5.084 1.00 0.00 C +ATOM 711 C GLY A 50 -16.167 -2.043 3.586 1.00 0.00 C +ATOM 712 O GLY A 50 -16.178 -3.003 2.817 1.00 0.00 O +ATOM 713 H GLY A 50 -17.910 -1.487 6.303 1.00 0.00 H +ATOM 714 HA2 GLY A 50 -15.740 -1.591 5.652 1.00 0.00 H +ATOM 715 HA3 GLY A 50 -16.148 -3.270 5.360 1.00 0.00 H Added: SwiftApps/modFTdock/input/2do1-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2do1-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2do1-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,828 @@ +ATOM 1 N GLY A -2 15.267 5.033 -18.791 1.00 0.00 N +ATOM 2 CA GLY A -2 16.009 5.034 -20.038 1.00 0.00 C +ATOM 3 C GLY A -2 16.181 3.641 -20.611 1.00 0.00 C +ATOM 4 O GLY A -2 15.734 3.360 -21.723 1.00 0.00 O +ATOM 5 H1 GLY A -2 15.748 5.033 -17.937 1.00 0.00 H +ATOM 6 HA2 GLY A -2 15.483 5.645 -20.757 1.00 0.00 H +ATOM 7 HA3 GLY A -2 16.985 5.462 -19.863 1.00 0.00 H +ATOM 8 N SER A -1 16.833 2.767 -19.851 1.00 0.00 N +ATOM 9 CA SER A -1 17.069 1.398 -20.292 1.00 0.00 C +ATOM 10 C SER A -1 17.044 0.434 -19.109 1.00 0.00 C +ATOM 11 O SER A -1 17.514 0.760 -18.019 1.00 0.00 O +ATOM 12 CB SER A -1 18.412 1.297 -21.018 1.00 0.00 C +ATOM 13 OG SER A -1 18.335 1.866 -22.314 1.00 0.00 O +ATOM 14 H SER A -1 17.166 3.051 -18.974 1.00 0.00 H +ATOM 15 HA SER A -1 16.278 1.129 -20.977 1.00 0.00 H +ATOM 16 HB2 SER A -1 19.165 1.824 -20.452 1.00 0.00 H +ATOM 17 HB3 SER A -1 18.692 0.258 -21.110 1.00 0.00 H +ATOM 18 HG SER A -1 18.088 1.188 -22.947 1.00 0.00 H +ATOM 19 N SER A 0 16.493 -0.754 -19.334 1.00 0.00 N +ATOM 20 CA SER A 0 16.403 -1.765 -18.287 1.00 0.00 C +ATOM 21 C SER A 0 15.980 -1.138 -16.962 1.00 0.00 C +ATOM 22 O SER A 0 16.516 -1.471 -15.906 1.00 0.00 O +ATOM 23 CB SER A 0 17.746 -2.479 -18.121 1.00 0.00 C +ATOM 24 OG SER A 0 17.572 -3.765 -17.552 1.00 0.00 O +ATOM 25 H SER A 0 16.136 -0.955 -20.225 1.00 0.00 H +ATOM 26 HA SER A 0 15.656 -2.486 -18.585 1.00 0.00 H +ATOM 27 HB2 SER A 0 18.215 -2.587 -19.087 1.00 0.00 H +ATOM 28 HB3 SER A 0 18.383 -1.895 -17.473 1.00 0.00 H +ATOM 29 HG SER A 0 18.203 -4.376 -17.941 1.00 0.00 H +ATOM 30 N GLY A 1 15.014 -0.227 -17.027 1.00 0.00 N +ATOM 31 CA GLY A 1 14.534 0.433 -15.826 1.00 0.00 C +ATOM 32 C GLY A 1 13.156 -0.045 -15.413 1.00 0.00 C +ATOM 33 O GLY A 1 12.541 -0.858 -16.102 1.00 0.00 O +ATOM 34 H GLY A 1 14.623 -0.002 -17.897 1.00 0.00 H +ATOM 35 HA2 GLY A 1 15.228 0.239 -15.021 1.00 0.00 H +ATOM 36 HA3 GLY A 1 14.495 1.497 -16.006 1.00 0.00 H +ATOM 37 N SER A 2 12.671 0.460 -14.283 1.00 0.00 N +ATOM 38 CA SER A 2 11.359 0.076 -13.776 1.00 0.00 C +ATOM 39 C SER A 2 10.473 1.302 -13.576 1.00 0.00 C +ATOM 40 O SER A 2 10.684 2.090 -12.654 1.00 0.00 O +ATOM 41 CB SER A 2 11.502 -0.685 -12.456 1.00 0.00 C +ATOM 42 OG SER A 2 10.237 -1.086 -11.959 1.00 0.00 O +ATOM 43 H SER A 2 13.210 1.104 -13.778 1.00 0.00 H +ATOM 44 HA SER A 2 10.898 -0.572 -14.506 1.00 0.00 H +ATOM 45 HB2 SER A 2 12.108 -1.564 -12.614 1.00 0.00 H +ATOM 46 HB3 SER A 2 11.977 -0.046 -11.725 1.00 0.00 H +ATOM 47 HG SER A 2 10.285 -1.997 -11.659 1.00 0.00 H +ATOM 48 N SER A 3 9.482 1.456 -14.447 1.00 0.00 N +ATOM 49 CA SER A 3 8.565 2.588 -14.370 1.00 0.00 C +ATOM 50 C SER A 3 7.236 2.169 -13.750 1.00 0.00 C +ATOM 51 O SER A 3 6.331 1.709 -14.445 1.00 0.00 O +ATOM 52 CB SER A 3 8.329 3.176 -15.762 1.00 0.00 C +ATOM 53 OG SER A 3 9.462 3.901 -16.209 1.00 0.00 O +ATOM 54 H SER A 3 9.365 0.794 -15.160 1.00 0.00 H +ATOM 55 HA SER A 3 9.020 3.340 -13.743 1.00 0.00 H +ATOM 56 HB2 SER A 3 8.131 2.376 -16.459 1.00 0.00 H +ATOM 57 HB3 SER A 3 7.480 3.843 -15.729 1.00 0.00 H +ATOM 58 HG SER A 3 9.195 4.786 -16.465 1.00 0.00 H +ATOM 59 N GLY A 4 7.125 2.332 -12.435 1.00 0.00 N +ATOM 60 CA GLY A 4 5.904 1.967 -11.742 1.00 0.00 C +ATOM 61 C GLY A 4 6.171 1.223 -10.448 1.00 0.00 C +ATOM 62 O GLY A 4 6.830 0.183 -10.446 1.00 0.00 O +ATOM 63 H GLY A 4 7.880 2.704 -11.931 1.00 0.00 H +ATOM 64 HA2 GLY A 4 5.346 2.864 -11.520 1.00 0.00 H +ATOM 65 HA3 GLY A 4 5.311 1.337 -12.389 1.00 0.00 H +ATOM 66 N VAL A 5 5.660 1.758 -9.344 1.00 0.00 N +ATOM 67 CA VAL A 5 5.848 1.138 -8.037 1.00 0.00 C +ATOM 68 C VAL A 5 4.631 0.310 -7.641 1.00 0.00 C +ATOM 69 O VAL A 5 3.491 0.723 -7.855 1.00 0.00 O +ATOM 70 CB VAL A 5 6.113 2.195 -6.948 1.00 0.00 C +ATOM 71 CG1 VAL A 5 7.390 2.965 -7.250 1.00 0.00 C +ATOM 72 CG2 VAL A 5 4.927 3.140 -6.824 1.00 0.00 C +ATOM 73 H VAL A 5 5.144 2.588 -9.409 1.00 0.00 H +ATOM 74 HA VAL A 5 6.709 0.489 -8.096 1.00 0.00 H +ATOM 75 HB VAL A 5 6.241 1.685 -6.004 1.00 0.00 H +ATOM 76 HG11 VAL A 5 7.522 3.037 -8.319 1.00 0.00 H +ATOM 77 HG12 VAL A 5 7.321 3.956 -6.826 1.00 0.00 H +ATOM 78 HG13 VAL A 5 8.233 2.445 -6.818 1.00 0.00 H +ATOM 79 HG21 VAL A 5 5.227 4.133 -7.123 1.00 0.00 H +ATOM 80 HG22 VAL A 5 4.125 2.798 -7.462 1.00 0.00 H +ATOM 81 HG23 VAL A 5 4.588 3.159 -5.799 1.00 0.00 H +ATOM 82 N GLU A 6 4.880 -0.860 -7.063 1.00 0.00 N +ATOM 83 CA GLU A 6 3.803 -1.746 -6.637 1.00 0.00 C +ATOM 84 C GLU A 6 3.972 -2.144 -5.174 1.00 0.00 C +ATOM 85 O GLU A 6 5.075 -2.467 -4.729 1.00 0.00 O +ATOM 86 CB GLU A 6 3.766 -2.998 -7.516 1.00 0.00 C +ATOM 87 CG GLU A 6 3.246 -2.741 -8.920 1.00 0.00 C +ATOM 88 CD GLU A 6 3.054 -4.018 -9.715 1.00 0.00 C +ATOM 89 OE1 GLU A 6 4.042 -4.763 -9.886 1.00 0.00 O +ATOM 90 OE2 GLU A 6 1.918 -4.272 -10.166 1.00 0.00 O +ATOM 91 H GLU A 6 5.810 -1.134 -6.919 1.00 0.00 H +ATOM 92 HA GLU A 6 2.872 -1.213 -6.747 1.00 0.00 H +ATOM 93 HB2 GLU A 6 4.765 -3.400 -7.592 1.00 0.00 H +ATOM 94 HB3 GLU A 6 3.127 -3.733 -7.048 1.00 0.00 H +ATOM 95 HG2 GLU A 6 2.296 -2.232 -8.851 1.00 0.00 H +ATOM 96 HG3 GLU A 6 3.952 -2.112 -9.442 1.00 0.00 H +ATOM 97 N LEU A 7 2.873 -2.118 -4.429 1.00 0.00 N +ATOM 98 CA LEU A 7 2.897 -2.475 -3.015 1.00 0.00 C +ATOM 99 C LEU A 7 3.305 -3.933 -2.828 1.00 0.00 C +ATOM 100 O LEU A 7 4.145 -4.250 -1.986 1.00 0.00 O +ATOM 101 CB LEU A 7 1.525 -2.232 -2.383 1.00 0.00 C +ATOM 102 CG LEU A 7 0.940 -0.831 -2.566 1.00 0.00 C +ATOM 103 CD1 LEU A 7 -0.532 -0.814 -2.187 1.00 0.00 C +ATOM 104 CD2 LEU A 7 1.717 0.183 -1.740 1.00 0.00 C +ATOM 105 H LEU A 7 2.023 -1.852 -4.839 1.00 0.00 H +ATOM 106 HA LEU A 7 3.626 -1.844 -2.527 1.00 0.00 H +ATOM 107 HB2 LEU A 7 0.833 -2.938 -2.815 1.00 0.00 H +ATOM 108 HB3 LEU A 7 1.613 -2.419 -1.322 1.00 0.00 H +ATOM 109 HG LEU A 7 1.020 -0.548 -3.607 1.00 0.00 H +ATOM 110 HD11 LEU A 7 -0.881 -1.827 -2.053 1.00 0.00 H +ATOM 111 HD12 LEU A 7 -1.101 -0.339 -2.973 1.00 0.00 H +ATOM 112 HD13 LEU A 7 -0.661 -0.263 -1.267 1.00 0.00 H +ATOM 113 HD21 LEU A 7 1.163 1.109 -1.693 1.00 0.00 H +ATOM 114 HD22 LEU A 7 2.678 0.362 -2.200 1.00 0.00 H +ATOM 115 HD23 LEU A 7 1.862 -0.201 -0.741 1.00 0.00 H +ATOM 116 N HIS A 8 2.706 -4.815 -3.622 1.00 0.00 N +ATOM 117 CA HIS A 8 3.010 -6.240 -3.546 1.00 0.00 C +ATOM 118 C HIS A 8 4.500 -6.467 -3.313 1.00 0.00 C +ATOM 119 O HIS A 8 4.893 -7.208 -2.412 1.00 0.00 O +ATOM 120 CB HIS A 8 2.569 -6.946 -4.829 1.00 0.00 C +ATOM 121 CG HIS A 8 1.237 -6.487 -5.338 1.00 0.00 C +ATOM 122 ND1 HIS A 8 1.072 -5.342 -6.089 1.00 0.00 N +ATOM 123 CD2 HIS A 8 0.003 -7.026 -5.201 1.00 0.00 C +ATOM 124 CE1 HIS A 8 -0.206 -5.197 -6.391 1.00 0.00 C +ATOM 125 NE2 HIS A 8 -0.876 -6.206 -5.864 1.00 0.00 N +ATOM 126 H HIS A 8 2.046 -4.501 -4.273 1.00 0.00 H +ATOM 127 HA HIS A 8 2.461 -6.652 -2.712 1.00 0.00 H +ATOM 128 HB2 HIS A 8 3.300 -6.762 -5.602 1.00 0.00 H +ATOM 129 HB3 HIS A 8 2.506 -8.008 -4.644 1.00 0.00 H +ATOM 130 HD2 HIS A 8 -0.245 -7.934 -4.668 1.00 0.00 H +ATOM 131 HE1 HIS A 8 -0.631 -4.391 -6.970 1.00 0.00 H +ATOM 132 HE2 HIS A 8 -1.851 -6.297 -5.864 1.00 0.00 H +ATOM 133 N LYS A 9 5.326 -5.824 -4.131 1.00 0.00 N +ATOM 134 CA LYS A 9 6.774 -5.954 -4.015 1.00 0.00 C +ATOM 135 C LYS A 9 7.230 -5.698 -2.582 1.00 0.00 C +ATOM 136 O LYS A 9 8.073 -6.422 -2.049 1.00 0.00 O +ATOM 137 CB LYS A 9 7.472 -4.979 -4.965 1.00 0.00 C +ATOM 138 CG LYS A 9 7.351 -5.364 -6.429 1.00 0.00 C +ATOM 139 CD LYS A 9 8.372 -4.633 -7.285 1.00 0.00 C +ATOM 140 CE LYS A 9 8.023 -3.160 -7.433 1.00 0.00 C +ATOM 141 NZ LYS A 9 9.004 -2.441 -8.292 1.00 0.00 N +ATOM 142 H LYS A 9 4.953 -5.246 -4.830 1.00 0.00 H +ATOM 143 HA LYS A 9 7.040 -6.964 -4.290 1.00 0.00 H +ATOM 144 HB2 LYS A 9 7.041 -3.997 -4.835 1.00 0.00 H +ATOM 145 HB3 LYS A 9 8.522 -4.937 -4.711 1.00 0.00 H +ATOM 146 HG2 LYS A 9 7.511 -6.427 -6.527 1.00 0.00 H +ATOM 147 HG3 LYS A 9 6.358 -5.114 -6.776 1.00 0.00 H +ATOM 148 HD2 LYS A 9 9.343 -4.716 -6.820 1.00 0.00 H +ATOM 149 HD3 LYS A 9 8.399 -5.088 -8.265 1.00 0.00 H +ATOM 150 HE2 LYS A 9 7.042 -3.079 -7.875 1.00 0.00 H +ATOM 151 HE3 LYS A 9 8.015 -2.705 -6.453 1.00 0.00 H +ATOM 152 HZ1 LYS A 9 8.685 -1.465 -8.458 1.00 0.00 H +ATOM 153 HZ2 LYS A 9 9.097 -2.923 -9.209 1.00 0.00 H +ATOM 154 HZ3 LYS A 9 9.935 -2.417 -7.829 1.00 0.00 H +ATOM 155 N LEU A 10 6.668 -4.667 -1.962 1.00 0.00 N +ATOM 156 CA LEU A 10 7.015 -4.317 -0.589 1.00 0.00 C +ATOM 157 C LEU A 10 6.762 -5.490 0.353 1.00 0.00 C +ATOM 158 O LEU A 10 5.792 -6.230 0.193 1.00 0.00 O +ATOM 159 CB LEU A 10 6.210 -3.099 -0.133 1.00 0.00 C +ATOM 160 CG LEU A 10 6.497 -1.790 -0.870 1.00 0.00 C +ATOM 161 CD1 LEU A 10 5.458 -0.738 -0.514 1.00 0.00 C +ATOM 162 CD2 LEU A 10 7.897 -1.291 -0.544 1.00 0.00 C +ATOM 163 H LEU A 10 6.003 -4.127 -2.438 1.00 0.00 H +ATOM 164 HA LEU A 10 8.067 -4.072 -0.566 1.00 0.00 H +ATOM 165 HB2 LEU A 10 5.163 -3.328 -0.261 1.00 0.00 H +ATOM 166 HB3 LEU A 10 6.416 -2.941 0.916 1.00 0.00 H +ATOM 167 HG LEU A 10 6.443 -1.965 -1.935 1.00 0.00 H +ATOM 168 HD11 LEU A 10 4.995 -0.370 -1.417 1.00 0.00 H +ATOM 169 HD12 LEU A 10 5.936 0.080 0.004 1.00 0.00 H +ATOM 170 HD13 LEU A 10 4.705 -1.177 0.125 1.00 0.00 H +ATOM 171 HD21 LEU A 10 8.309 -0.787 -1.406 1.00 0.00 H +ATOM 172 HD22 LEU A 10 8.527 -2.129 -0.283 1.00 0.00 H +ATOM 173 HD23 LEU A 10 7.850 -0.603 0.287 1.00 0.00 H +ATOM 174 N LYS A 11 7.641 -5.652 1.336 1.00 0.00 N +ATOM 175 CA LYS A 11 7.512 -6.732 2.307 1.00 0.00 C +ATOM 176 C LYS A 11 6.523 -6.360 3.407 1.00 0.00 C +ATOM 177 O LYS A 11 5.992 -5.249 3.429 1.00 0.00 O +ATOM 178 CB LYS A 11 8.875 -7.058 2.922 1.00 0.00 C +ATOM 179 CG LYS A 11 9.920 -7.472 1.900 1.00 0.00 C +ATOM 180 CD LYS A 11 11.131 -8.104 2.565 1.00 0.00 C +ATOM 181 CE LYS A 11 12.270 -8.302 1.577 1.00 0.00 C +ATOM 182 NZ LYS A 11 11.915 -9.277 0.509 1.00 0.00 N +ATOM 183 H LYS A 11 8.394 -5.029 1.412 1.00 0.00 H +ATOM 184 HA LYS A 11 7.144 -7.603 1.787 1.00 0.00 H +ATOM 185 HB2 LYS A 11 9.239 -6.186 3.444 1.00 0.00 H +ATOM 186 HB3 LYS A 11 8.754 -7.866 3.629 1.00 0.00 H +ATOM 187 HG2 LYS A 11 9.482 -8.188 1.221 1.00 0.00 H +ATOM 188 HG3 LYS A 11 10.238 -6.598 1.349 1.00 0.00 H +ATOM 189 HD2 LYS A 11 11.470 -7.460 3.363 1.00 0.00 H +ATOM 190 HD3 LYS A 11 10.848 -9.065 2.972 1.00 0.00 H +ATOM 191 HE2 LYS A 11 12.504 -7.352 1.122 1.00 0.00 H +ATOM 192 HE3 LYS A 11 13.134 -8.667 2.113 1.00 0.00 H +ATOM 193 HZ1 LYS A 11 10.965 -9.665 0.681 1.00 0.00 H +ATOM 194 HZ2 LYS A 11 12.599 -10.059 0.497 1.00 0.00 H +ATOM 195 HZ3 LYS A 11 11.923 -8.809 -0.420 1.00 0.00 H +ATOM 196 N LEU A 12 6.280 -7.295 4.319 1.00 0.00 N +ATOM 197 CA LEU A 12 5.355 -7.065 5.423 1.00 0.00 C +ATOM 198 C LEU A 12 5.768 -5.841 6.234 1.00 0.00 C +ATOM 199 O LEU A 12 4.936 -5.005 6.582 1.00 0.00 O +ATOM 200 CB LEU A 12 5.296 -8.296 6.330 1.00 0.00 C +ATOM 201 CG LEU A 12 4.205 -8.289 7.401 1.00 0.00 C +ATOM 202 CD1 LEU A 12 2.828 -8.376 6.762 1.00 0.00 C +ATOM 203 CD2 LEU A 12 4.413 -9.433 8.382 1.00 0.00 C +ATOM 204 H LEU A 12 6.733 -8.161 4.249 1.00 0.00 H +ATOM 205 HA LEU A 12 4.375 -6.890 5.003 1.00 0.00 H +ATOM 206 HB2 LEU A 12 5.139 -9.161 5.704 1.00 0.00 H +ATOM 207 HB3 LEU A 12 6.251 -8.384 6.829 1.00 0.00 H +ATOM 208 HG LEU A 12 4.258 -7.360 7.954 1.00 0.00 H +ATOM 209 HD11 LEU A 12 2.934 -8.511 5.696 1.00 0.00 H +ATOM 210 HD12 LEU A 12 2.283 -7.464 6.957 1.00 0.00 H +ATOM 211 HD13 LEU A 12 2.290 -9.213 7.180 1.00 0.00 H +ATOM 212 HD21 LEU A 12 5.468 -9.651 8.461 1.00 0.00 H +ATOM 213 HD22 LEU A 12 3.891 -10.310 8.028 1.00 0.00 H +ATOM 214 HD23 LEU A 12 4.030 -9.152 9.351 1.00 0.00 H +ATOM 215 N ALA A 13 7.060 -5.742 6.529 1.00 0.00 N +ATOM 216 CA ALA A 13 7.585 -4.619 7.294 1.00 0.00 C +ATOM 217 C ALA A 13 7.390 -3.305 6.545 1.00 0.00 C +ATOM 218 O ALA A 13 7.076 -2.278 7.147 1.00 0.00 O +ATOM 219 CB ALA A 13 9.058 -4.835 7.608 1.00 0.00 C +ATOM 220 H ALA A 13 7.675 -6.441 6.223 1.00 0.00 H +ATOM 221 HA ALA A 13 7.046 -4.571 8.230 1.00 0.00 H +ATOM 222 HB1 ALA A 13 9.210 -5.855 7.931 1.00 0.00 H +ATOM 223 HB2 ALA A 13 9.646 -4.646 6.722 1.00 0.00 H +ATOM 224 HB3 ALA A 13 9.362 -4.160 8.394 1.00 0.00 H +ATOM 225 N GLU A 14 7.578 -3.345 5.230 1.00 0.00 N +ATOM 226 CA GLU A 14 7.423 -2.156 4.400 1.00 0.00 C +ATOM 227 C GLU A 14 5.970 -1.691 4.381 1.00 0.00 C +ATOM 228 O GLU A 14 5.687 -0.498 4.496 1.00 0.00 O +ATOM 229 CB GLU A 14 7.899 -2.438 2.973 1.00 0.00 C +ATOM 230 CG GLU A 14 9.400 -2.642 2.860 1.00 0.00 C +ATOM 231 CD GLU A 14 10.171 -1.337 2.901 1.00 0.00 C +ATOM 232 OE1 GLU A 14 10.156 -0.671 3.957 1.00 0.00 O +ATOM 233 OE2 GLU A 14 10.789 -0.982 1.875 1.00 0.00 O +ATOM 234 H GLU A 14 7.827 -4.194 4.808 1.00 0.00 H +ATOM 235 HA GLU A 14 8.034 -1.374 4.824 1.00 0.00 H +ATOM 236 HB2 GLU A 14 7.406 -3.329 2.612 1.00 0.00 H +ATOM 237 HB3 GLU A 14 7.622 -1.605 2.344 1.00 0.00 H +ATOM 238 HG2 GLU A 14 9.729 -3.262 3.681 1.00 0.00 H +ATOM 239 HG3 GLU A 14 9.614 -3.141 1.926 1.00 0.00 H +ATOM 240 N LEU A 15 5.053 -2.641 4.235 1.00 0.00 N +ATOM 241 CA LEU A 15 3.628 -2.330 4.200 1.00 0.00 C +ATOM 242 C LEU A 15 3.176 -1.703 5.515 1.00 0.00 C +ATOM 243 O LEU A 15 2.442 -0.714 5.525 1.00 0.00 O +ATOM 244 CB LEU A 15 2.816 -3.595 3.919 1.00 0.00 C +ATOM 245 CG LEU A 15 3.102 -4.294 2.589 1.00 0.00 C +ATOM 246 CD1 LEU A 15 2.491 -5.686 2.576 1.00 0.00 C +ATOM 247 CD2 LEU A 15 2.573 -3.466 1.427 1.00 0.00 C +ATOM 248 H LEU A 15 5.340 -3.573 4.148 1.00 0.00 H +ATOM 249 HA LEU A 15 3.463 -1.621 3.402 1.00 0.00 H +ATOM 250 HB2 LEU A 15 3.017 -4.299 4.712 1.00 0.00 H +ATOM 251 HB3 LEU A 15 1.770 -3.326 3.934 1.00 0.00 H +ATOM 252 HG LEU A 15 4.171 -4.398 2.467 1.00 0.00 H +ATOM 253 HD11 LEU A 15 2.715 -6.169 1.637 1.00 0.00 H +ATOM 254 HD12 LEU A 15 1.420 -5.611 2.695 1.00 0.00 H +ATOM 255 HD13 LEU A 15 2.903 -6.268 3.388 1.00 0.00 H +ATOM 256 HD21 LEU A 15 1.619 -3.861 1.109 1.00 0.00 H +ATOM 257 HD22 LEU A 15 3.273 -3.510 0.605 1.00 0.00 H +ATOM 258 HD23 LEU A 15 2.451 -2.440 1.742 1.00 0.00 H +ATOM 259 N LYS A 16 3.619 -2.284 6.625 1.00 0.00 N +ATOM 260 CA LYS A 16 3.264 -1.782 7.947 1.00 0.00 C +ATOM 261 C LYS A 16 3.792 -0.365 8.151 1.00 0.00 C +ATOM 262 O LYS A 16 3.119 0.478 8.743 1.00 0.00 O +ATOM 263 CB LYS A 16 3.820 -2.706 9.032 1.00 0.00 C +ATOM 264 CG LYS A 16 2.971 -3.943 9.271 1.00 0.00 C +ATOM 265 CD LYS A 16 3.271 -4.573 10.621 1.00 0.00 C +ATOM 266 CE LYS A 16 2.060 -5.309 11.174 1.00 0.00 C +ATOM 267 NZ LYS A 16 2.308 -5.833 12.546 1.00 0.00 N +ATOM 268 H LYS A 16 4.202 -3.070 6.553 1.00 0.00 H +ATOM 269 HA LYS A 16 2.187 -1.765 8.017 1.00 0.00 H +ATOM 270 HB2 LYS A 16 4.811 -3.025 8.744 1.00 0.00 H +ATOM 271 HB3 LYS A 16 3.883 -2.155 9.960 1.00 0.00 H +ATOM 272 HG2 LYS A 16 1.928 -3.665 9.239 1.00 0.00 H +ATOM 273 HG3 LYS A 16 3.177 -4.665 8.494 1.00 0.00 H +ATOM 274 HD2 LYS A 16 4.084 -5.274 10.509 1.00 0.00 H +ATOM 275 HD3 LYS A 16 3.557 -3.795 11.316 1.00 0.00 H +ATOM 276 HE2 LYS A 16 1.223 -4.627 11.204 1.00 0.00 H +ATOM 277 HE3 LYS A 16 1.827 -6.135 10.518 1.00 0.00 H +ATOM 278 HZ1 LYS A 16 2.944 -5.193 13.062 1.00 0.00 H +ATOM 279 HZ2 LYS A 16 2.747 -6.774 12.495 1.00 0.00 H +ATOM 280 HZ3 LYS A 16 1.411 -5.908 13.067 1.00 0.00 H +ATOM 281 N GLN A 17 4.999 -0.111 7.655 1.00 0.00 N +ATOM 282 CA GLN A 17 5.615 1.204 7.783 1.00 0.00 C +ATOM 283 C GLN A 17 4.785 2.266 7.071 1.00 0.00 C +ATOM 284 O GLN A 17 4.585 3.363 7.591 1.00 0.00 O +ATOM 285 CB GLN A 17 7.035 1.182 7.214 1.00 0.00 C +ATOM 286 CG GLN A 17 7.853 2.412 7.573 1.00 0.00 C +ATOM 287 CD GLN A 17 8.172 2.490 9.053 1.00 0.00 C +ATOM 288 OE1 GLN A 17 7.364 2.971 9.849 1.00 0.00 O +ATOM 289 NE2 GLN A 17 9.354 2.017 9.430 1.00 0.00 N +ATOM 290 H GLN A 17 5.486 -0.825 7.194 1.00 0.00 H +ATOM 291 HA GLN A 17 5.662 1.447 8.834 1.00 0.00 H +ATOM 292 HB2 GLN A 17 7.549 0.311 7.593 1.00 0.00 H +ATOM 293 HB3 GLN A 17 6.978 1.116 6.138 1.00 0.00 H +ATOM 294 HG2 GLN A 17 8.781 2.385 7.022 1.00 0.00 H +ATOM 295 HG3 GLN A 17 7.295 3.294 7.292 1.00 0.00 H +ATOM 296 HE21 GLN A 17 9.946 1.651 8.740 1.00 0.00 H +ATOM 297 HE22 GLN A 17 9.586 2.056 10.380 1.00 0.00 H +ATOM 298 N GLU A 18 4.305 1.932 5.876 1.00 0.00 N +ATOM 299 CA GLU A 18 3.498 2.859 5.092 1.00 0.00 C +ATOM 300 C GLU A 18 2.190 3.183 5.810 1.00 0.00 C +ATOM 301 O GLU A 18 1.765 4.338 5.857 1.00 0.00 O +ATOM 302 CB GLU A 18 3.202 2.271 3.711 1.00 0.00 C +ATOM 303 CG GLU A 18 4.390 2.314 2.764 1.00 0.00 C +ATOM 304 CD GLU A 18 4.505 3.638 2.034 1.00 0.00 C +ATOM 305 OE1 GLU A 18 5.170 4.553 2.563 1.00 0.00 O +ATOM 306 OE2 GLU A 18 3.930 3.759 0.932 1.00 0.00 O +ATOM 307 H GLU A 18 4.499 1.043 5.514 1.00 0.00 H +ATOM 308 HA GLU A 18 4.063 3.771 4.971 1.00 0.00 H +ATOM 309 HB2 GLU A 18 2.899 1.241 3.829 1.00 0.00 H +ATOM 310 HB3 GLU A 18 2.391 2.825 3.263 1.00 0.00 H +ATOM 311 HG2 GLU A 18 5.294 2.155 3.333 1.00 0.00 H +ATOM 312 HG3 GLU A 18 4.281 1.525 2.034 1.00 0.00 H +ATOM 313 N CYS A 19 1.558 2.156 6.366 1.00 0.00 N +ATOM 314 CA CYS A 19 0.298 2.330 7.080 1.00 0.00 C +ATOM 315 C CYS A 19 0.489 3.205 8.314 1.00 0.00 C +ATOM 316 O CYS A 19 -0.386 3.997 8.669 1.00 0.00 O +ATOM 317 CB CYS A 19 -0.273 0.971 7.487 1.00 0.00 C +ATOM 318 SG CYS A 19 -0.709 -0.095 6.093 1.00 0.00 S +ATOM 319 H CYS A 19 1.947 1.259 6.295 1.00 0.00 H +ATOM 320 HA CYS A 19 -0.396 2.817 6.412 1.00 0.00 H +ATOM 321 HB2 CYS A 19 0.458 0.446 8.084 1.00 0.00 H +ATOM 322 HB3 CYS A 19 -1.165 1.125 8.076 1.00 0.00 H +ATOM 323 HG CYS A 19 -2.030 -0.162 6.028 1.00 0.00 H +ATOM 324 N LEU A 20 1.637 3.057 8.966 1.00 0.00 N +ATOM 325 CA LEU A 20 1.942 3.833 10.163 1.00 0.00 C +ATOM 326 C LEU A 20 2.062 5.318 9.833 1.00 0.00 C +ATOM 327 O LEU A 20 1.505 6.166 10.530 1.00 0.00 O +ATOM 328 CB LEU A 20 3.240 3.334 10.801 1.00 0.00 C +ATOM 329 CG LEU A 20 3.347 3.494 12.318 1.00 0.00 C +ATOM 330 CD1 LEU A 20 4.462 2.619 12.869 1.00 0.00 C +ATOM 331 CD2 LEU A 20 3.580 4.953 12.685 1.00 0.00 C +ATOM 332 H LEU A 20 2.295 2.411 8.636 1.00 0.00 H +ATOM 333 HA LEU A 20 1.131 3.697 10.863 1.00 0.00 H +ATOM 334 HB2 LEU A 20 3.339 2.285 10.571 1.00 0.00 H +ATOM 335 HB3 LEU A 20 4.059 3.878 10.351 1.00 0.00 H +ATOM 336 HG LEU A 20 2.419 3.178 12.773 1.00 0.00 H +ATOM 337 HD11 LEU A 20 4.445 1.660 12.374 1.00 0.00 H +ATOM 338 HD12 LEU A 20 4.318 2.479 13.930 1.00 0.00 H +ATOM 339 HD13 LEU A 20 5.415 3.098 12.696 1.00 0.00 H +ATOM 340 HD21 LEU A 20 3.184 5.143 13.671 1.00 0.00 H +ATOM 341 HD22 LEU A 20 3.082 5.589 11.968 1.00 0.00 H +ATOM 342 HD23 LEU A 20 4.640 5.161 12.676 1.00 0.00 H +ATOM 343 N ALA A 21 2.792 5.624 8.765 1.00 0.00 N +ATOM 344 CA ALA A 21 2.981 7.006 8.340 1.00 0.00 C +ATOM 345 C ALA A 21 1.663 7.627 7.890 1.00 0.00 C +ATOM 346 O ALA A 21 1.409 8.808 8.129 1.00 0.00 O +ATOM 347 CB ALA A 21 4.011 7.078 7.222 1.00 0.00 C +ATOM 348 H ALA A 21 3.211 4.904 8.250 1.00 0.00 H +ATOM 349 HA ALA A 21 3.361 7.565 9.183 1.00 0.00 H +ATOM 350 HB1 ALA A 21 4.882 6.502 7.499 1.00 0.00 H +ATOM 351 HB2 ALA A 21 3.585 6.674 6.315 1.00 0.00 H +ATOM 352 HB3 ALA A 21 4.295 8.107 7.061 1.00 0.00 H +ATOM 353 N ARG A 22 0.830 6.825 7.235 1.00 0.00 N +ATOM 354 CA ARG A 22 -0.461 7.298 6.749 1.00 0.00 C +ATOM 355 C ARG A 22 -1.450 7.459 7.900 1.00 0.00 C +ATOM 356 O ARG A 22 -2.290 8.357 7.890 1.00 0.00 O +ATOM 357 CB ARG A 22 -1.025 6.327 5.710 1.00 0.00 C +ATOM 358 CG ARG A 22 -0.240 6.303 4.409 1.00 0.00 C +ATOM 359 CD ARG A 22 -1.028 5.631 3.295 1.00 0.00 C +ATOM 360 NE ARG A 22 -0.199 5.366 2.122 1.00 0.00 N +ATOM 361 CZ ARG A 22 0.185 6.305 1.266 1.00 0.00 C +ATOM 362 NH1 ARG A 22 -0.183 7.566 1.450 1.00 0.00 N +ATOM 363 NH2 ARG A 22 0.939 5.985 0.222 1.00 0.00 N +ATOM 364 H ARG A 22 1.089 5.894 7.075 1.00 0.00 H +ATOM 365 HA ARG A 22 -0.309 8.260 6.284 1.00 0.00 H +ATOM 366 HB2 ARG A 22 -1.021 5.330 6.126 1.00 0.00 H +ATOM 367 HB3 ARG A 22 -2.043 6.610 5.486 1.00 0.00 H +ATOM 368 HG2 ARG A 22 -0.016 7.318 4.116 1.00 0.00 H +ATOM 369 HG3 ARG A 22 0.680 5.760 4.566 1.00 0.00 H +ATOM 370 HD2 ARG A 22 -1.422 4.697 3.665 1.00 0.00 H +ATOM 371 HD3 ARG A 22 -1.843 6.278 3.010 1.00 0.00 H +ATOM 372 HE ARG A 22 0.084 4.441 1.967 1.00 0.00 H +ATOM 373 HH11 ARG A 22 -0.751 7.810 2.236 1.00 0.00 H +ATOM 374 HH12 ARG A 22 0.108 8.271 0.804 1.00 0.00 H +ATOM 375 HH21 ARG A 22 1.218 5.036 0.079 1.00 0.00 H +ATOM 376 HH22 ARG A 22 1.227 6.693 -0.423 1.00 0.00 H +ATOM 377 N GLY A 23 -1.343 6.580 8.893 1.00 0.00 N +ATOM 378 CA GLY A 23 -2.234 6.642 10.037 1.00 0.00 C +ATOM 379 C GLY A 23 -3.377 5.652 9.936 1.00 0.00 C +ATOM 380 O GLY A 23 -4.500 5.945 10.347 1.00 0.00 O +ATOM 381 H GLY A 23 -0.654 5.885 8.848 1.00 0.00 H +ATOM 382 HA2 GLY A 23 -1.667 6.432 10.932 1.00 0.00 H +ATOM 383 HA3 GLY A 23 -2.642 7.639 10.107 1.00 0.00 H +ATOM 384 N LEU A 24 -3.092 4.476 9.386 1.00 0.00 N +ATOM 385 CA LEU A 24 -4.106 3.439 9.229 1.00 0.00 C +ATOM 386 C LEU A 24 -3.862 2.288 10.200 1.00 0.00 C +ATOM 387 O LEU A 24 -2.877 2.285 10.937 1.00 0.00 O +ATOM 388 CB LEU A 24 -4.112 2.916 7.792 1.00 0.00 C +ATOM 389 CG LEU A 24 -4.286 3.968 6.696 1.00 0.00 C +ATOM 390 CD1 LEU A 24 -3.851 3.412 5.349 1.00 0.00 C +ATOM 391 CD2 LEU A 24 -5.731 4.442 6.637 1.00 0.00 C +ATOM 392 H LEU A 24 -2.179 4.301 9.077 1.00 0.00 H +ATOM 393 HA LEU A 24 -5.068 3.880 9.447 1.00 0.00 H +ATOM 394 HB2 LEU A 24 -3.174 2.412 7.620 1.00 0.00 H +ATOM 395 HB3 LEU A 24 -4.922 2.206 7.702 1.00 0.00 H +ATOM 396 HG LEU A 24 -3.662 4.821 6.922 1.00 0.00 H +ATOM 397 HD11 LEU A 24 -4.722 3.185 4.754 1.00 0.00 H +ATOM 398 HD12 LEU A 24 -3.274 2.512 5.500 1.00 0.00 H +ATOM 399 HD13 LEU A 24 -3.245 4.145 4.836 1.00 0.00 H +ATOM 400 HD21 LEU A 24 -5.762 5.453 6.256 1.00 0.00 H +ATOM 401 HD22 LEU A 24 -6.158 4.418 7.629 1.00 0.00 H +ATOM 402 HD23 LEU A 24 -6.296 3.794 5.984 1.00 0.00 H +ATOM 403 N GLU A 25 -4.766 1.313 10.193 1.00 0.00 N +ATOM 404 CA GLU A 25 -4.647 0.156 11.073 1.00 0.00 C +ATOM 405 C GLU A 25 -3.641 -0.848 10.518 1.00 0.00 C +ATOM 406 O GLU A 25 -3.868 -1.459 9.473 1.00 0.00 O +ATOM 407 CB GLU A 25 -6.009 -0.516 11.255 1.00 0.00 C +ATOM 408 CG GLU A 25 -6.138 -1.289 12.557 1.00 0.00 C +ATOM 409 CD GLU A 25 -6.357 -0.384 13.753 1.00 0.00 C +ATOM 410 OE1 GLU A 25 -7.150 0.573 13.635 1.00 0.00 O +ATOM 411 OE2 GLU A 25 -5.735 -0.633 14.808 1.00 0.00 O +ATOM 412 H GLU A 25 -5.530 1.373 9.583 1.00 0.00 H +ATOM 413 HA GLU A 25 -4.297 0.504 12.033 1.00 0.00 H +ATOM 414 HB2 GLU A 25 -6.778 0.242 11.233 1.00 0.00 H +ATOM 415 HB3 GLU A 25 -6.170 -1.202 10.436 1.00 0.00 H +ATOM 416 HG2 GLU A 25 -6.976 -1.965 12.478 1.00 0.00 H +ATOM 417 HG3 GLU A 25 -5.232 -1.857 12.714 1.00 0.00 H +ATOM 418 N THR A 26 -2.528 -1.015 11.225 1.00 0.00 N +ATOM 419 CA THR A 26 -1.486 -1.943 10.803 1.00 0.00 C +ATOM 420 C THR A 26 -1.778 -3.356 11.294 1.00 0.00 C +ATOM 421 O THR A 26 -0.873 -4.080 11.711 1.00 0.00 O +ATOM 422 CB THR A 26 -0.103 -1.508 11.321 1.00 0.00 C +ATOM 423 OG1 THR A 26 -0.090 -1.519 12.753 1.00 0.00 O +ATOM 424 CG2 THR A 26 0.251 -0.117 10.817 1.00 0.00 C +ATOM 425 H THR A 26 -2.405 -0.499 12.049 1.00 0.00 H +ATOM 426 HA THR A 26 -1.459 -1.945 9.723 1.00 0.00 H +ATOM 427 HB THR A 26 0.637 -2.206 10.957 1.00 0.00 H +ATOM 428 HG1 THR A 26 -0.875 -1.076 13.084 1.00 0.00 H +ATOM 429 HG21 THR A 26 1.103 -0.179 10.156 1.00 0.00 H +ATOM 430 HG22 THR A 26 0.491 0.520 11.655 1.00 0.00 H +ATOM 431 HG23 THR A 26 -0.590 0.296 10.280 1.00 0.00 H +ATOM 432 N LYS A 27 -3.048 -3.746 11.241 1.00 0.00 N +ATOM 433 CA LYS A 27 -3.460 -5.074 11.677 1.00 0.00 C +ATOM 434 C LYS A 27 -3.765 -5.970 10.481 1.00 0.00 C +ATOM 435 O LYS A 27 -3.888 -5.495 9.353 1.00 0.00 O +ATOM 436 CB LYS A 27 -4.690 -4.977 12.583 1.00 0.00 C +ATOM 437 CG LYS A 27 -5.975 -4.670 11.832 1.00 0.00 C +ATOM 438 CD LYS A 27 -7.193 -5.194 12.574 1.00 0.00 C +ATOM 439 CE LYS A 27 -7.340 -4.539 13.938 1.00 0.00 C +ATOM 440 NZ LYS A 27 -8.686 -4.781 14.528 1.00 0.00 N +ATOM 441 H LYS A 27 -3.724 -3.124 10.898 1.00 0.00 H +ATOM 442 HA LYS A 27 -2.645 -5.507 12.237 1.00 0.00 H +ATOM 443 HB2 LYS A 27 -4.816 -5.916 13.100 1.00 0.00 H +ATOM 444 HB3 LYS A 27 -4.526 -4.194 13.309 1.00 0.00 H +ATOM 445 HG2 LYS A 27 -6.068 -3.600 11.720 1.00 0.00 H +ATOM 446 HG3 LYS A 27 -5.931 -5.133 10.857 1.00 0.00 H +ATOM 447 HD2 LYS A 27 -8.077 -4.986 11.990 1.00 0.00 H +ATOM 448 HD3 LYS A 27 -7.090 -6.262 12.706 1.00 0.00 H +ATOM 449 HE2 LYS A 27 -6.589 -4.942 14.600 1.00 0.00 H +ATOM 450 HE3 LYS A 27 -7.190 -3.475 13.830 1.00 0.00 H +ATOM 451 HZ1 LYS A 27 -8.971 -5.769 14.371 1.00 0.00 H +ATOM 452 HZ2 LYS A 27 -9.388 -4.155 14.085 1.00 0.00 H +ATOM 453 HZ3 LYS A 27 -8.667 -4.594 15.551 1.00 0.00 H +ATOM 454 N GLY A 28 -3.889 -7.269 10.736 1.00 0.00 N +ATOM 455 CA GLY A 28 -4.180 -8.210 9.670 1.00 0.00 C +ATOM 456 C GLY A 28 -2.926 -8.806 9.063 1.00 0.00 C +ATOM 457 O GLY A 28 -1.856 -8.769 9.673 1.00 0.00 O +ATOM 458 H GLY A 28 -3.781 -7.591 11.656 1.00 0.00 H +ATOM 459 HA2 GLY A 28 -4.790 -9.008 10.066 1.00 0.00 H +ATOM 460 HA3 GLY A 28 -4.733 -7.699 8.896 1.00 0.00 H +ATOM 461 N ILE A 29 -3.056 -9.357 7.862 1.00 0.00 N +ATOM 462 CA ILE A 29 -1.923 -9.963 7.173 1.00 0.00 C +ATOM 463 C ILE A 29 -1.433 -9.076 6.034 1.00 0.00 C +ATOM 464 O ILE A 29 -1.932 -7.968 5.836 1.00 0.00 O +ATOM 465 CB ILE A 29 -2.284 -11.351 6.610 1.00 0.00 C +ATOM 466 CG1 ILE A 29 -3.381 -11.226 5.550 1.00 0.00 C +ATOM 467 CG2 ILE A 29 -2.727 -12.279 7.731 1.00 0.00 C +ATOM 468 CD1 ILE A 29 -3.533 -12.460 4.690 1.00 0.00 C +ATOM 469 H ILE A 29 -3.934 -9.355 7.427 1.00 0.00 H +ATOM 470 HA ILE A 29 -1.124 -10.085 7.890 1.00 0.00 H +ATOM 471 HB ILE A 29 -1.400 -11.771 6.155 1.00 0.00 H +ATOM 472 HG12 ILE A 29 -4.325 -11.044 6.038 1.00 0.00 H +ATOM 473 HG13 ILE A 29 -3.150 -10.394 4.901 1.00 0.00 H +ATOM 474 HG21 ILE A 29 -3.276 -13.110 7.315 1.00 0.00 H +ATOM 475 HG22 ILE A 29 -1.858 -12.649 8.256 1.00 0.00 H +ATOM 476 HG23 ILE A 29 -3.359 -11.738 8.418 1.00 0.00 H +ATOM 477 HD11 ILE A 29 -4.426 -12.373 4.089 1.00 0.00 H +ATOM 478 HD12 ILE A 29 -2.673 -12.559 4.045 1.00 0.00 H +ATOM 479 HD13 ILE A 29 -3.610 -13.333 5.323 1.00 0.00 H +ATOM 480 N LYS A 30 -0.454 -9.572 5.285 1.00 0.00 N +ATOM 481 CA LYS A 30 0.103 -8.827 4.162 1.00 0.00 C +ATOM 482 C LYS A 30 -1.004 -8.316 3.245 1.00 0.00 C +ATOM 483 O LYS A 30 -1.018 -7.145 2.868 1.00 0.00 O +ATOM 484 CB LYS A 30 1.071 -9.708 3.369 1.00 0.00 C +ATOM 485 CG LYS A 30 1.625 -9.035 2.125 1.00 0.00 C +ATOM 486 CD LYS A 30 2.825 -9.786 1.572 1.00 0.00 C +ATOM 487 CE LYS A 30 3.251 -9.238 0.219 1.00 0.00 C +ATOM 488 NZ LYS A 30 4.092 -10.210 -0.534 1.00 0.00 N +ATOM 489 H LYS A 30 -0.097 -10.462 5.492 1.00 0.00 H +ATOM 490 HA LYS A 30 0.643 -7.981 4.560 1.00 0.00 H +ATOM 491 HB2 LYS A 30 1.900 -9.976 4.007 1.00 0.00 H +ATOM 492 HB3 LYS A 30 0.554 -10.607 3.066 1.00 0.00 H +ATOM 493 HG2 LYS A 30 0.854 -9.005 1.369 1.00 0.00 H +ATOM 494 HG3 LYS A 30 1.926 -8.028 2.375 1.00 0.00 H +ATOM 495 HD2 LYS A 30 3.649 -9.689 2.263 1.00 0.00 H +ATOM 496 HD3 LYS A 30 2.566 -10.830 1.463 1.00 0.00 H +ATOM 497 HE2 LYS A 30 2.368 -9.015 -0.359 1.00 0.00 H +ATOM 498 HE3 LYS A 30 3.817 -8.331 0.375 1.00 0.00 H +ATOM 499 HZ1 LYS A 30 4.256 -11.060 0.042 1.00 0.00 H +ATOM 500 HZ2 LYS A 30 5.010 -9.782 -0.769 1.00 0.00 H +ATOM 501 HZ3 LYS A 30 3.615 -10.488 -1.415 1.00 0.00 H +ATOM 502 N GLN A 31 -1.929 -9.203 2.892 1.00 0.00 N +ATOM 503 CA GLN A 31 -3.040 -8.840 2.020 1.00 0.00 C +ATOM 504 C GLN A 31 -3.900 -7.753 2.657 1.00 0.00 C +ATOM 505 O GLN A 31 -4.409 -6.868 1.969 1.00 0.00 O +ATOM 506 CB GLN A 31 -3.897 -10.069 1.712 1.00 0.00 C +ATOM 507 CG GLN A 31 -3.348 -10.926 0.583 1.00 0.00 C +ATOM 508 CD GLN A 31 -3.803 -12.370 0.673 1.00 0.00 C +ATOM 509 OE1 GLN A 31 -5.000 -12.657 0.663 1.00 0.00 O +ATOM 510 NE2 GLN A 31 -2.847 -13.287 0.760 1.00 0.00 N +ATOM 511 H GLN A 31 -1.863 -10.121 3.225 1.00 0.00 H +ATOM 512 HA GLN A 31 -2.627 -8.460 1.097 1.00 0.00 H +ATOM 513 HB2 GLN A 31 -3.962 -10.679 2.600 1.00 0.00 H +ATOM 514 HB3 GLN A 31 -4.889 -9.742 1.437 1.00 0.00 H +ATOM 515 HG2 GLN A 31 -3.684 -10.517 -0.358 1.00 0.00 H +ATOM 516 HG3 GLN A 31 -2.269 -10.901 0.621 1.00 0.00 H +ATOM 517 HE21 GLN A 31 -1.914 -12.985 0.763 1.00 0.00 H +ATOM 518 HE22 GLN A 31 -3.112 -14.228 0.820 1.00 0.00 H +ATOM 519 N ASP A 32 -4.057 -7.826 3.974 1.00 0.00 N +ATOM 520 CA ASP A 32 -4.854 -6.847 4.704 1.00 0.00 C +ATOM 521 C ASP A 32 -4.230 -5.458 4.610 1.00 0.00 C +ATOM 522 O ASP A 32 -4.931 -4.461 4.434 1.00 0.00 O +ATOM 523 CB ASP A 32 -4.991 -7.261 6.170 1.00 0.00 C +ATOM 524 CG ASP A 32 -6.026 -8.350 6.370 1.00 0.00 C +ATOM 525 OD1 ASP A 32 -7.195 -8.135 5.988 1.00 0.00 O +ATOM 526 OD2 ASP A 32 -5.667 -9.418 6.910 1.00 0.00 O +ATOM 527 H ASP A 32 -3.625 -8.555 4.467 1.00 0.00 H +ATOM 528 HA ASP A 32 -5.835 -6.817 4.255 1.00 0.00 H +ATOM 529 HB2 ASP A 32 -4.038 -7.626 6.525 1.00 0.00 H +ATOM 530 HB3 ASP A 32 -5.282 -6.400 6.754 1.00 0.00 H +ATOM 531 N LEU A 33 -2.908 -5.401 4.731 1.00 0.00 N +ATOM 532 CA LEU A 33 -2.188 -4.134 4.661 1.00 0.00 C +ATOM 533 C LEU A 33 -2.278 -3.533 3.262 1.00 0.00 C +ATOM 534 O LEU A 33 -2.527 -2.337 3.105 1.00 0.00 O +ATOM 535 CB LEU A 33 -0.722 -4.336 5.048 1.00 0.00 C +ATOM 536 CG LEU A 33 -0.457 -4.688 6.512 1.00 0.00 C +ATOM 537 CD1 LEU A 33 0.915 -5.325 6.668 1.00 0.00 C +ATOM 538 CD2 LEU A 33 -0.574 -3.449 7.389 1.00 0.00 C +ATOM 539 H LEU A 33 -2.403 -6.229 4.870 1.00 0.00 H +ATOM 540 HA LEU A 33 -2.647 -3.453 5.363 1.00 0.00 H +ATOM 541 HB2 LEU A 33 -0.326 -5.134 4.439 1.00 0.00 H +ATOM 542 HB3 LEU A 33 -0.193 -3.420 4.826 1.00 0.00 H +ATOM 543 HG LEU A 33 -1.196 -5.404 6.843 1.00 0.00 H +ATOM 544 HD11 LEU A 33 1.674 -4.632 6.336 1.00 0.00 H +ATOM 545 HD12 LEU A 33 0.964 -6.224 6.072 1.00 0.00 H +ATOM 546 HD13 LEU A 33 1.082 -5.572 7.706 1.00 0.00 H +ATOM 547 HD21 LEU A 33 0.386 -3.230 7.832 1.00 0.00 H +ATOM 548 HD22 LEU A 33 -1.299 -3.629 8.170 1.00 0.00 H +ATOM 549 HD23 LEU A 33 -0.893 -2.612 6.787 1.00 0.00 H +ATOM 550 N ILE A 34 -2.076 -4.369 2.250 1.00 0.00 N +ATOM 551 CA ILE A 34 -2.138 -3.921 0.865 1.00 0.00 C +ATOM 552 C ILE A 34 -3.549 -3.477 0.493 1.00 0.00 C +ATOM 553 O ILE A 34 -3.742 -2.408 -0.088 1.00 0.00 O +ATOM 554 CB ILE A 34 -1.688 -5.028 -0.106 1.00 0.00 C +ATOM 555 CG1 ILE A 34 -0.183 -5.270 0.022 1.00 0.00 C +ATOM 556 CG2 ILE A 34 -2.050 -4.658 -1.537 1.00 0.00 C +ATOM 557 CD1 ILE A 34 0.267 -6.599 -0.542 1.00 0.00 C +ATOM 558 H ILE A 34 -1.881 -5.311 2.439 1.00 0.00 H +ATOM 559 HA ILE A 34 -1.467 -3.081 0.756 1.00 0.00 H +ATOM 560 HB ILE A 34 -2.214 -5.936 0.149 1.00 0.00 H +ATOM 561 HG12 ILE A 34 0.347 -4.491 -0.503 1.00 0.00 H +ATOM 562 HG13 ILE A 34 0.090 -5.242 1.068 1.00 0.00 H +ATOM 563 HG21 ILE A 34 -3.124 -4.679 -1.654 1.00 0.00 H +ATOM 564 HG22 ILE A 34 -1.685 -3.665 -1.755 1.00 0.00 H +ATOM 565 HG23 ILE A 34 -1.600 -5.365 -2.217 1.00 0.00 H +ATOM 566 HD11 ILE A 34 0.736 -7.181 0.237 1.00 0.00 H +ATOM 567 HD12 ILE A 34 -0.587 -7.134 -0.928 1.00 0.00 H +ATOM 568 HD13 ILE A 34 0.976 -6.430 -1.340 1.00 0.00 H +ATOM 569 N HIS A 35 -4.532 -4.303 0.834 1.00 0.00 N +ATOM 570 CA HIS A 35 -5.927 -3.995 0.538 1.00 0.00 C +ATOM 571 C HIS A 35 -6.315 -2.634 1.109 1.00 0.00 C +ATOM 572 O HIS A 35 -6.966 -1.832 0.438 1.00 0.00 O +ATOM 573 CB HIS A 35 -6.843 -5.079 1.107 1.00 0.00 C +ATOM 574 CG HIS A 35 -8.177 -5.152 0.430 1.00 0.00 C +ATOM 575 ND1 HIS A 35 -9.368 -5.236 1.121 1.00 0.00 N +ATOM 576 CD2 HIS A 35 -8.505 -5.151 -0.883 1.00 0.00 C +ATOM 577 CE1 HIS A 35 -10.370 -5.285 0.262 1.00 0.00 C +ATOM 578 NE2 HIS A 35 -9.873 -5.235 -0.961 1.00 0.00 N +ATOM 579 H HIS A 35 -4.315 -5.140 1.295 1.00 0.00 H +ATOM 580 HA HIS A 35 -6.040 -3.967 -0.535 1.00 0.00 H +ATOM 581 HB2 HIS A 35 -6.363 -6.040 0.997 1.00 0.00 H +ATOM 582 HB3 HIS A 35 -7.012 -4.885 2.156 1.00 0.00 H +ATOM 583 HD2 HIS A 35 -7.818 -5.095 -1.716 1.00 0.00 H +ATOM 584 HE1 HIS A 35 -11.417 -5.355 0.515 1.00 0.00 H +ATOM 585 HE2 HIS A 35 -10.392 -5.340 -1.785 1.00 0.00 H +ATOM 586 N ARG A 36 -5.912 -2.381 2.350 1.00 0.00 N +ATOM 587 CA ARG A 36 -6.220 -1.119 3.010 1.00 0.00 C +ATOM 588 C ARG A 36 -5.508 0.042 2.322 1.00 0.00 C +ATOM 589 O ARG A 36 -6.077 1.122 2.155 1.00 0.00 O +ATOM 590 CB ARG A 36 -5.814 -1.178 4.484 1.00 0.00 C +ATOM 591 CG ARG A 36 -6.637 -0.266 5.379 1.00 0.00 C +ATOM 592 CD ARG A 36 -6.239 -0.412 6.840 1.00 0.00 C +ATOM 593 NE ARG A 36 -7.353 -0.128 7.741 1.00 0.00 N +ATOM 594 CZ ARG A 36 -7.841 1.090 7.945 1.00 0.00 C +ATOM 595 NH1 ARG A 36 -7.317 2.132 7.314 1.00 0.00 N +ATOM 596 NH2 ARG A 36 -8.856 1.268 8.781 1.00 0.00 N +ATOM 597 H ARG A 36 -5.397 -3.060 2.833 1.00 0.00 H +ATOM 598 HA ARG A 36 -7.286 -0.961 2.946 1.00 0.00 H +ATOM 599 HB2 ARG A 36 -5.931 -2.192 4.837 1.00 0.00 H +ATOM 600 HB3 ARG A 36 -4.777 -0.892 4.571 1.00 0.00 H +ATOM 601 HG2 ARG A 36 -6.478 0.759 5.076 1.00 0.00 H +ATOM 602 HG3 ARG A 36 -7.681 -0.518 5.272 1.00 0.00 H +ATOM 603 HD2 ARG A 36 -5.902 -1.424 7.008 1.00 0.00 H +ATOM 604 HD3 ARG A 36 -5.433 0.275 7.050 1.00 0.00 H +ATOM 605 HE ARG A 36 -7.755 -0.884 8.218 1.00 0.00 H +ATOM 606 HH11 ARG A 36 -6.553 2.000 6.683 1.00 0.00 H +ATOM 607 HH12 ARG A 36 -7.688 3.048 7.468 1.00 0.00 H +ATOM 608 HH21 ARG A 36 -9.254 0.485 9.258 1.00 0.00 H +ATOM 609 HH22 ARG A 36 -9.223 2.185 8.933 1.00 0.00 H +ATOM 610 N LEU A 37 -4.261 -0.186 1.926 1.00 0.00 N +ATOM 611 CA LEU A 37 -3.470 0.841 1.256 1.00 0.00 C +ATOM 612 C LEU A 37 -4.111 1.244 -0.068 1.00 0.00 C +ATOM 613 O LEU A 37 -4.213 2.429 -0.383 1.00 0.00 O +ATOM 614 CB LEU A 37 -2.046 0.338 1.014 1.00 0.00 C +ATOM 615 CG LEU A 37 -1.178 0.154 2.260 1.00 0.00 C +ATOM 616 CD1 LEU A 37 -0.069 -0.852 1.994 1.00 0.00 C +ATOM 617 CD2 LEU A 37 -0.596 1.487 2.706 1.00 0.00 C +ATOM 618 H LEU A 37 -3.861 -1.066 2.087 1.00 0.00 H +ATOM 619 HA LEU A 37 -3.434 1.705 1.903 1.00 0.00 H +ATOM 620 HB2 LEU A 37 -2.112 -0.615 0.513 1.00 0.00 H +ATOM 621 HB3 LEU A 37 -1.551 1.049 0.367 1.00 0.00 H +ATOM 622 HG LEU A 37 -1.791 -0.231 3.063 1.00 0.00 H +ATOM 623 HD11 LEU A 37 0.300 -0.723 0.987 1.00 0.00 H +ATOM 624 HD12 LEU A 37 -0.456 -1.853 2.110 1.00 0.00 H +ATOM 625 HD13 LEU A 37 0.736 -0.693 2.696 1.00 0.00 H +ATOM 626 HD21 LEU A 37 0.246 1.311 3.358 1.00 0.00 H +ATOM 627 HD22 LEU A 37 -1.351 2.049 3.238 1.00 0.00 H +ATOM 628 HD23 LEU A 37 -0.272 2.046 1.842 1.00 0.00 H +ATOM 629 N GLN A 38 -4.543 0.250 -0.838 1.00 0.00 N +ATOM 630 CA GLN A 38 -5.176 0.502 -2.127 1.00 0.00 C +ATOM 631 C GLN A 38 -6.489 1.258 -1.950 1.00 0.00 C +ATOM 632 O GLN A 38 -6.746 2.244 -2.640 1.00 0.00 O +ATOM 633 CB GLN A 38 -5.427 -0.815 -2.862 1.00 0.00 C +ATOM 634 CG GLN A 38 -4.243 -1.285 -3.691 1.00 0.00 C +ATOM 635 CD GLN A 38 -4.574 -2.486 -4.554 1.00 0.00 C +ATOM 636 OE1 GLN A 38 -5.659 -2.571 -5.130 1.00 0.00 O +ATOM 637 NE2 GLN A 38 -3.639 -3.424 -4.649 1.00 0.00 N +ATOM 638 H GLN A 38 -4.433 -0.674 -0.532 1.00 0.00 H +ATOM 639 HA GLN A 38 -4.502 1.108 -2.713 1.00 0.00 H +ATOM 640 HB2 GLN A 38 -5.657 -1.581 -2.136 1.00 0.00 H +ATOM 641 HB3 GLN A 38 -6.273 -0.690 -3.522 1.00 0.00 H +ATOM 642 HG2 GLN A 38 -3.926 -0.477 -4.333 1.00 0.00 H +ATOM 643 HG3 GLN A 38 -3.436 -1.551 -3.024 1.00 0.00 H +ATOM 644 HE21 GLN A 38 -2.798 -3.290 -4.161 1.00 0.00 H +ATOM 645 HE22 GLN A 38 -3.826 -4.211 -5.200 1.00 0.00 H +ATOM 646 N ALA A 39 -7.316 0.788 -1.022 1.00 0.00 N +ATOM 647 CA ALA A 39 -8.602 1.421 -0.754 1.00 0.00 C +ATOM 648 C ALA A 39 -8.426 2.895 -0.406 1.00 0.00 C +ATOM 649 O ALA A 39 -9.207 3.743 -0.839 1.00 0.00 O +ATOM 650 CB ALA A 39 -9.324 0.693 0.370 1.00 0.00 C +ATOM 651 H ALA A 39 -7.055 -0.001 -0.505 1.00 0.00 H +ATOM 652 HA ALA A 39 -9.205 1.342 -1.647 1.00 0.00 H +ATOM 653 HB1 ALA A 39 -8.798 0.858 1.300 1.00 0.00 H +ATOM 654 HB2 ALA A 39 -10.332 1.071 0.454 1.00 0.00 H +ATOM 655 HB3 ALA A 39 -9.351 -0.364 0.154 1.00 0.00 H +ATOM 656 N TYR A 40 -7.398 3.194 0.380 1.00 0.00 N +ATOM 657 CA TYR A 40 -7.122 4.566 0.789 1.00 0.00 C +ATOM 658 C TYR A 40 -6.646 5.402 -0.394 1.00 0.00 C +ATOM 659 O TYR A 40 -7.048 6.555 -0.557 1.00 0.00 O +ATOM 660 CB TYR A 40 -6.070 4.587 1.899 1.00 0.00 C +ATOM 661 CG TYR A 40 -5.603 5.978 2.264 1.00 0.00 C +ATOM 662 CD1 TYR A 40 -6.435 6.854 2.951 1.00 0.00 C +ATOM 663 CD2 TYR A 40 -4.330 6.418 1.921 1.00 0.00 C +ATOM 664 CE1 TYR A 40 -6.013 8.126 3.286 1.00 0.00 C +ATOM 665 CE2 TYR A 40 -3.899 7.688 2.253 1.00 0.00 C +ATOM 666 CZ TYR A 40 -4.744 8.538 2.935 1.00 0.00 C +ATOM 667 OH TYR A 40 -4.319 9.804 3.267 1.00 0.00 O +ATOM 668 H TYR A 40 -6.811 2.475 0.694 1.00 0.00 H +ATOM 669 HA TYR A 40 -8.040 4.990 1.169 1.00 0.00 H +ATOM 670 HB2 TYR A 40 -6.483 4.134 2.787 1.00 0.00 H +ATOM 671 HB3 TYR A 40 -5.207 4.021 1.580 1.00 0.00 H +ATOM 672 HD1 TYR A 40 -7.428 6.528 3.224 1.00 0.00 H +ATOM 673 HD2 TYR A 40 -3.671 5.749 1.387 1.00 0.00 H +ATOM 674 HE1 TYR A 40 -6.674 8.792 3.820 1.00 0.00 H +ATOM 675 HE2 TYR A 40 -2.906 8.011 1.979 1.00 0.00 H +ATOM 676 HH TYR A 40 -4.398 9.930 4.215 1.00 0.00 H +ATOM 677 N LEU A 41 -5.786 4.813 -1.218 1.00 0.00 N +ATOM 678 CA LEU A 41 -5.254 5.502 -2.389 1.00 0.00 C +ATOM 679 C LEU A 41 -6.372 5.866 -3.361 1.00 0.00 C +ATOM 680 O LEU A 41 -6.440 6.994 -3.848 1.00 0.00 O +ATOM 681 CB LEU A 41 -4.216 4.627 -3.093 1.00 0.00 C +ATOM 682 CG LEU A 41 -2.834 4.569 -2.440 1.00 0.00 C +ATOM 683 CD1 LEU A 41 -2.031 3.402 -2.994 1.00 0.00 C +ATOM 684 CD2 LEU A 41 -2.089 5.879 -2.651 1.00 0.00 C +ATOM 685 H LEU A 41 -5.502 3.894 -1.037 1.00 0.00 H +ATOM 686 HA LEU A 41 -4.778 6.410 -2.051 1.00 0.00 H +ATOM 687 HB2 LEU A 41 -4.605 3.621 -3.133 1.00 0.00 H +ATOM 688 HB3 LEU A 41 -4.093 5.004 -4.098 1.00 0.00 H +ATOM 689 HG LEU A 41 -2.951 4.417 -1.376 1.00 0.00 H +ATOM 690 HD11 LEU A 41 -1.269 3.120 -2.283 1.00 0.00 H +ATOM 691 HD12 LEU A 41 -1.567 3.694 -3.924 1.00 0.00 H +ATOM 692 HD13 LEU A 41 -2.689 2.563 -3.168 1.00 0.00 H +ATOM 693 HD21 LEU A 41 -2.763 6.612 -3.071 1.00 0.00 H +ATOM 694 HD22 LEU A 41 -1.264 5.718 -3.330 1.00 0.00 H +ATOM 695 HD23 LEU A 41 -1.713 6.236 -1.704 1.00 0.00 H +ATOM 696 N GLU A 42 -7.246 4.904 -3.637 1.00 0.00 N +ATOM 697 CA GLU A 42 -8.361 5.125 -4.550 1.00 0.00 C +ATOM 698 C GLU A 42 -9.297 6.205 -4.015 1.00 0.00 C +ATOM 699 O GLU A 42 -9.766 7.061 -4.765 1.00 0.00 O +ATOM 700 CB GLU A 42 -9.138 3.824 -4.766 1.00 0.00 C +ATOM 701 CG GLU A 42 -9.684 3.221 -3.483 1.00 0.00 C +ATOM 702 CD GLU A 42 -10.559 2.008 -3.735 1.00 0.00 C +ATOM 703 OE1 GLU A 42 -10.073 1.049 -4.371 1.00 0.00 O +ATOM 704 OE2 GLU A 42 -11.728 2.018 -3.296 1.00 0.00 O +ATOM 705 H GLU A 42 -7.138 4.025 -3.217 1.00 0.00 H +ATOM 706 HA GLU A 42 -7.956 5.452 -5.496 1.00 0.00 H +ATOM 707 HB2 GLU A 42 -9.967 4.020 -5.430 1.00 0.00 H +ATOM 708 HB3 GLU A 42 -8.482 3.101 -5.228 1.00 0.00 H +ATOM 709 HG2 GLU A 42 -8.855 2.924 -2.858 1.00 0.00 H +ATOM 710 HG3 GLU A 42 -10.270 3.969 -2.970 1.00 0.00 H +ATOM 711 N GLU A 43 -9.563 6.158 -2.714 1.00 0.00 N +ATOM 712 CA GLU A 43 -10.443 7.132 -2.079 1.00 0.00 C +ATOM 713 C GLU A 43 -9.813 8.521 -2.086 1.00 0.00 C +ATOM 714 O GLU A 43 -10.450 9.503 -2.468 1.00 0.00 O +ATOM 715 CB GLU A 43 -10.756 6.709 -0.642 1.00 0.00 C +ATOM 716 CG GLU A 43 -11.994 7.377 -0.067 1.00 0.00 C +ATOM 717 CD GLU A 43 -12.154 7.126 1.420 1.00 0.00 C +ATOM 718 OE1 GLU A 43 -12.758 6.096 1.786 1.00 0.00 O +ATOM 719 OE2 GLU A 43 -11.677 7.960 2.218 1.00 0.00 O +ATOM 720 H GLU A 43 -9.159 5.452 -2.168 1.00 0.00 H +ATOM 721 HA GLU A 43 -11.363 7.165 -2.643 1.00 0.00 H +ATOM 722 HB2 GLU A 43 -10.905 5.640 -0.618 1.00 0.00 H +ATOM 723 HB3 GLU A 43 -9.913 6.960 -0.015 1.00 0.00 H +ATOM 724 HG2 GLU A 43 -11.922 8.442 -0.231 1.00 0.00 H +ATOM 725 HG3 GLU A 43 -12.865 6.994 -0.578 1.00 0.00 H +ATOM 726 N HIS A 44 -8.555 8.596 -1.660 1.00 0.00 N +ATOM 727 CA HIS A 44 -7.837 9.865 -1.618 1.00 0.00 C +ATOM 728 C HIS A 44 -7.061 10.094 -2.911 1.00 0.00 C +ATOM 729 O HIS A 44 -5.936 10.593 -2.891 1.00 0.00 O +ATOM 730 CB HIS A 44 -6.882 9.895 -0.424 1.00 0.00 C +ATOM 731 CG HIS A 44 -7.570 10.118 0.888 1.00 0.00 C +ATOM 732 ND1 HIS A 44 -7.049 10.917 1.884 1.00 0.00 N +ATOM 733 CD2 HIS A 44 -8.744 9.644 1.364 1.00 0.00 C +ATOM 734 CE1 HIS A 44 -7.872 10.923 2.917 1.00 0.00 C +ATOM 735 NE2 HIS A 44 -8.910 10.158 2.626 1.00 0.00 N +ATOM 736 H HIS A 44 -8.100 7.779 -1.369 1.00 0.00 H +ATOM 737 HA HIS A 44 -8.565 10.655 -1.505 1.00 0.00 H +ATOM 738 HB2 HIS A 44 -6.359 8.952 -0.367 1.00 0.00 H +ATOM 739 HB3 HIS A 44 -6.166 10.691 -0.564 1.00 0.00 H +ATOM 740 HD2 HIS A 44 -9.426 8.983 0.847 1.00 0.00 H +ATOM 741 HE1 HIS A 44 -7.724 11.461 3.841 1.00 0.00 H +ATOM 742 HE2 HIS A 44 -9.627 9.920 3.250 1.00 0.00 H +ATOM 743 N ALA A 45 -7.670 9.726 -4.034 1.00 0.00 N +ATOM 744 CA ALA A 45 -7.036 9.893 -5.336 1.00 0.00 C +ATOM 745 C ALA A 45 -6.662 11.350 -5.582 1.00 0.00 C +ATOM 746 O ALA A 45 -7.447 12.257 -5.308 1.00 0.00 O +ATOM 747 CB ALA A 45 -7.956 9.389 -6.438 1.00 0.00 C +ATOM 748 H ALA A 45 -8.567 9.335 -3.985 1.00 0.00 H +ATOM 749 HA ALA A 45 -6.137 9.293 -5.349 1.00 0.00 H +ATOM 750 HB1 ALA A 45 -8.880 9.037 -6.002 1.00 0.00 H +ATOM 751 HB2 ALA A 45 -8.166 10.194 -7.127 1.00 0.00 H +ATOM 752 HB3 ALA A 45 -7.475 8.579 -6.966 1.00 0.00 H +ATOM 753 N GLU A 46 -5.456 11.567 -6.099 1.00 0.00 N +ATOM 754 CA GLU A 46 -4.978 12.916 -6.379 1.00 0.00 C +ATOM 755 C GLU A 46 -5.408 13.367 -7.772 1.00 0.00 C +ATOM 756 O GLU A 46 -6.118 14.362 -7.922 1.00 0.00 O +ATOM 757 CB GLU A 46 -3.454 12.975 -6.260 1.00 0.00 C +ATOM 758 CG GLU A 46 -2.955 12.982 -4.825 1.00 0.00 C +ATOM 759 CD GLU A 46 -1.548 13.533 -4.699 1.00 0.00 C +ATOM 760 OE1 GLU A 46 -0.606 12.874 -5.187 1.00 0.00 O +ATOM 761 OE2 GLU A 46 -1.389 14.624 -4.112 1.00 0.00 O +ATOM 762 H GLU A 46 -4.875 10.803 -6.295 1.00 0.00 H +ATOM 763 HA GLU A 46 -5.413 13.581 -5.648 1.00 0.00 H +ATOM 764 HB2 GLU A 46 -3.031 12.118 -6.763 1.00 0.00 H +ATOM 765 HB3 GLU A 46 -3.102 13.874 -6.745 1.00 0.00 H +ATOM 766 HG2 GLU A 46 -3.618 13.592 -4.230 1.00 0.00 H +ATOM 767 HG3 GLU A 46 -2.964 11.970 -4.449 1.00 0.00 H +ATOM 768 N SER A 47 -4.973 12.628 -8.788 1.00 0.00 N +ATOM 769 CA SER A 47 -5.309 12.954 -10.169 1.00 0.00 C +ATOM 770 C SER A 47 -6.654 12.349 -10.558 1.00 0.00 C +ATOM 771 O SER A 47 -7.053 11.307 -10.038 1.00 0.00 O +ATOM 772 CB SER A 47 -4.217 12.449 -11.114 1.00 0.00 C +ATOM 773 OG SER A 47 -2.985 13.103 -10.866 1.00 0.00 O +ATOM 774 H SER A 47 -4.410 11.847 -8.604 1.00 0.00 H +ATOM 775 HA SER A 47 -5.374 14.029 -10.250 1.00 0.00 H +ATOM 776 HB2 SER A 47 -4.083 11.388 -10.971 1.00 0.00 H +ATOM 777 HB3 SER A 47 -4.513 12.640 -12.136 1.00 0.00 H +ATOM 778 HG SER A 47 -2.327 12.457 -10.600 1.00 0.00 H +ATOM 779 N GLY A 48 -7.350 13.010 -11.478 1.00 0.00 N +ATOM 780 CA GLY A 48 -8.643 12.523 -11.922 1.00 0.00 C +ATOM 781 C GLY A 48 -8.538 11.233 -12.710 1.00 0.00 C +ATOM 782 O GLY A 48 -7.571 11.001 -13.436 1.00 0.00 O +ATOM 783 H GLY A 48 -6.982 13.835 -11.858 1.00 0.00 H +ATOM 784 HA2 GLY A 48 -9.269 12.355 -11.058 1.00 0.00 H +ATOM 785 HA3 GLY A 48 -9.103 13.276 -12.546 1.00 0.00 H +ATOM 786 N PRO A 49 -9.551 10.365 -12.570 1.00 0.00 N +ATOM 787 CA PRO A 49 -9.590 9.075 -13.266 1.00 0.00 C +ATOM 788 C PRO A 49 -9.804 9.234 -14.768 1.00 0.00 C +ATOM 789 O PRO A 49 -9.569 8.304 -15.539 1.00 0.00 O +ATOM 790 CB PRO A 49 -10.785 8.364 -12.628 1.00 0.00 C +ATOM 791 CG PRO A 49 -11.660 9.463 -12.133 1.00 0.00 C +ATOM 792 CD PRO A 49 -10.735 10.575 -11.721 1.00 0.00 C +ATOM 793 HA PRO A 49 -8.692 8.502 -13.090 1.00 0.00 H +ATOM 794 HB2 PRO A 49 -11.289 7.762 -13.371 1.00 0.00 H +ATOM 795 HB3 PRO A 49 -10.445 7.736 -11.818 1.00 0.00 H +ATOM 796 HG2 PRO A 49 -12.317 9.794 -12.923 1.00 0.00 H +ATOM 797 HG3 PRO A 49 -12.235 9.121 -11.284 1.00 0.00 H +ATOM 798 HD2 PRO A 49 -11.187 11.536 -11.921 1.00 0.00 H +ATOM 799 HD3 PRO A 49 -10.480 10.487 -10.676 1.00 0.00 H +ATOM 800 N SER A 50 -10.251 10.417 -15.175 1.00 0.00 N +ATOM 801 CA SER A 50 -10.500 10.696 -16.585 1.00 0.00 C +ATOM 802 C SER A 50 -9.440 10.039 -17.464 1.00 0.00 C +ATOM 803 O SER A 50 -8.367 10.600 -17.685 1.00 0.00 O +ATOM 804 CB SER A 50 -10.520 12.206 -16.832 1.00 0.00 C +ATOM 805 OG SER A 50 -9.261 12.787 -16.543 1.00 0.00 O +ATOM 806 H SER A 50 -10.420 11.119 -14.512 1.00 0.00 H +ATOM 807 HA SER A 50 -11.466 10.285 -16.838 1.00 0.00 H +ATOM 808 HB2 SER A 50 -10.761 12.395 -17.867 1.00 0.00 H +ATOM 809 HB3 SER A 50 -11.268 12.661 -16.199 1.00 0.00 H +ATOM 810 HG SER A 50 -8.561 12.197 -16.835 1.00 0.00 H +ATOM 811 N SER A 51 -9.750 8.847 -17.963 1.00 0.00 N +ATOM 812 CA SER A 51 -8.823 8.110 -18.815 1.00 0.00 C +ATOM 813 C SER A 51 -9.206 8.253 -20.284 1.00 0.00 C +ATOM 814 O SER A 51 -10.356 8.544 -20.613 1.00 0.00 O +ATOM 815 CB SER A 51 -8.803 6.631 -18.423 1.00 0.00 C +ATOM 816 OG SER A 51 -8.030 5.873 -19.337 1.00 0.00 O +ATOM 817 H SER A 51 -10.621 8.451 -17.750 1.00 0.00 H +ATOM 818 HA SER A 51 -7.838 8.526 -18.669 1.00 0.00 H +ATOM 819 HB2 SER A 51 -8.376 6.529 -17.437 1.00 0.00 H +ATOM 820 HB3 SER A 51 -9.813 6.249 -18.419 1.00 0.00 H +ATOM 821 HG SER A 51 -7.256 5.523 -18.888 1.00 0.00 H +ATOM 822 N GLY A 52 -8.233 8.047 -21.166 1.00 0.00 N +ATOM 823 CA GLY A 52 -8.486 8.157 -22.591 1.00 0.00 C +ATOM 824 C GLY A 52 -8.210 9.549 -23.123 1.00 0.00 C +ATOM 825 O GLY A 52 -7.121 10.090 -22.930 1.00 0.00 O +ATOM 826 H GLY A 52 -7.335 7.818 -20.847 1.00 0.00 H +ATOM 827 HA2 GLY A 52 -7.857 7.452 -23.113 1.00 0.00 H +ATOM 828 HA3 GLY A 52 -9.521 7.911 -22.781 1.00 0.00 H Added: SwiftApps/modFTdock/input/2dq5-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2dq5-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2dq5-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,728 @@ +ATOM 1 N SER A 168 1.239 1.030 2.396 1.00 2.00 N +ATOM 2 CA SER A 168 1.909 0.909 1.106 1.00 34.22 C +ATOM 3 C SER A 168 3.070 1.893 1.003 1.00 12.24 C +ATOM 4 O SER A 168 2.933 3.071 1.339 1.00 71.43 O +ATOM 5 CB SER A 168 0.917 1.152 -0.032 1.00 14.33 C +ATOM 6 OG SER A 168 -0.094 0.159 -0.048 1.00 62.25 O +ATOM 7 H1 SER A 168 1.779 1.071 3.214 1.00 51.40 H +ATOM 8 HA SER A 168 2.296 -0.095 1.027 1.00 20.32 H +ATOM 9 HB2 SER A 168 0.453 2.118 0.098 1.00 21.20 H +ATOM 10 HB3 SER A 168 1.443 1.129 -0.976 1.00 0.33 H +ATOM 11 HG SER A 168 -0.759 0.388 -0.702 1.00 52.40 H +ATOM 12 N HIS A 169 4.214 1.403 0.537 1.00 53.03 N +ATOM 13 CA HIS A 169 5.400 2.239 0.387 1.00 32.35 C +ATOM 14 C HIS A 169 6.473 1.519 -0.424 1.00 51.13 C +ATOM 15 O HIS A 169 7.544 1.199 0.092 1.00 41.13 O +ATOM 16 CB HIS A 169 5.954 2.624 1.759 1.00 63.14 C +ATOM 17 CG HIS A 169 6.942 3.749 1.711 1.00 24.44 C +ATOM 18 ND1 HIS A 169 8.283 3.585 1.994 1.00 72.44 N +ATOM 19 CD2 HIS A 169 6.780 5.058 1.410 1.00 23.52 C +ATOM 20 CE1 HIS A 169 8.901 4.746 1.870 1.00 60.20 C +ATOM 21 NE2 HIS A 169 8.011 5.656 1.516 1.00 3.12 N +ATOM 22 H HIS A 169 4.261 0.457 0.286 1.00 72.22 H +ATOM 23 HA HIS A 169 5.110 3.135 -0.140 1.00 33.24 H +ATOM 24 HB2 HIS A 169 5.138 2.928 2.397 1.00 54.14 H +ATOM 25 HB3 HIS A 169 6.446 1.767 2.195 1.00 31.41 H +ATOM 26 HD1 HIS A 169 8.715 2.744 2.248 1.00 24.41 H +ATOM 27 HD2 HIS A 169 5.854 5.543 1.137 1.00 54.30 H +ATOM 28 HE1 HIS A 169 9.954 4.921 2.030 1.00 44.35 H +ATOM 29 N ILE A 170 6.178 1.267 -1.695 1.00 62.01 N +ATOM 30 CA ILE A 170 7.118 0.586 -2.577 1.00 32.31 C +ATOM 31 C ILE A 170 7.774 1.566 -3.544 1.00 32.22 C +ATOM 32 O ILE A 170 8.010 1.240 -4.707 1.00 2.43 O +ATOM 33 CB ILE A 170 6.426 -0.530 -3.383 1.00 12.33 C +ATOM 34 CG1 ILE A 170 5.201 0.024 -4.113 1.00 74.30 C +ATOM 35 CG2 ILE A 170 6.031 -1.678 -2.467 1.00 14.32 C +ATOM 36 CD1 ILE A 170 4.697 -0.878 -5.217 1.00 71.32 C +ATOM 37 H ILE A 170 5.308 1.547 -2.048 1.00 31.51 H +ATOM 38 HA ILE A 170 7.884 0.136 -1.962 1.00 62.11 H +ATOM 39 HB ILE A 170 7.130 -0.907 -4.109 1.00 51.34 H +ATOM 40 HG12 ILE A 170 4.399 0.160 -3.404 1.00 41.23 H +ATOM 41 HG13 ILE A 170 5.454 0.978 -4.552 1.00 51.24 H +ATOM 42 HG21 ILE A 170 4.954 -1.708 -2.372 1.00 5.25 H +ATOM 43 HG22 ILE A 170 6.379 -2.609 -2.887 1.00 13.11 H +ATOM 44 HG23 ILE A 170 6.474 -1.532 -1.494 1.00 24.35 H +ATOM 45 HD11 ILE A 170 3.668 -0.635 -5.440 1.00 1.31 H +ATOM 46 HD12 ILE A 170 5.300 -0.739 -6.101 1.00 2.35 H +ATOM 47 HD13 ILE A 170 4.760 -1.908 -4.898 1.00 34.25 H +ATOM 48 N ARG A 171 8.065 2.766 -3.054 1.00 2.24 N +ATOM 49 CA ARG A 171 8.695 3.793 -3.875 1.00 71.21 C +ATOM 50 C ARG A 171 9.718 4.584 -3.065 1.00 25.31 C +ATOM 51 O ARG A 171 9.561 4.773 -1.860 1.00 62.51 O +ATOM 52 CB ARG A 171 7.637 4.741 -4.444 1.00 31.43 C +ATOM 53 CG ARG A 171 6.852 4.151 -5.604 1.00 11.13 C +ATOM 54 CD ARG A 171 6.254 5.239 -6.482 1.00 72.21 C +ATOM 55 NE ARG A 171 7.236 5.793 -7.411 1.00 73.31 N +ATOM 56 CZ ARG A 171 6.918 6.585 -8.429 1.00 62.32 C +ATOM 57 NH1 ARG A 171 5.652 6.914 -8.648 1.00 72.10 N +ATOM 58 NH2 ARG A 171 7.868 7.050 -9.231 1.00 74.23 N +ATOM 59 H ARG A 171 7.852 2.966 -2.119 1.00 31.43 H +ATOM 60 HA ARG A 171 9.202 3.301 -4.691 1.00 55.32 H +ATOM 61 HB2 ARG A 171 6.940 4.997 -3.659 1.00 22.43 H +ATOM 62 HB3 ARG A 171 8.125 5.641 -4.788 1.00 22.50 H +ATOM 63 HG2 ARG A 171 7.514 3.543 -6.203 1.00 44.40 H +ATOM 64 HG3 ARG A 171 6.055 3.538 -5.211 1.00 34.30 H +ATOM 65 HD2 ARG A 171 5.435 4.818 -7.046 1.00 43.05 H +ATOM 66 HD3 ARG A 171 5.884 6.032 -5.849 1.00 33.40 H +ATOM 67 HE ARG A 171 8.177 5.563 -7.267 1.00 72.34 H +ATOM 68 HH11 ARG A 171 4.935 6.566 -8.045 1.00 14.20 H +ATOM 69 HH12 ARG A 171 5.416 7.511 -9.415 1.00 21.33 H +ATOM 70 HH21 ARG A 171 8.823 6.804 -9.069 1.00 70.31 H +ATOM 71 HH22 ARG A 171 7.627 7.645 -9.998 1.00 23.43 H +ATOM 72 N GLY A 172 10.770 5.044 -3.738 1.00 72.52 N +ATOM 73 CA GLY A 172 11.805 5.807 -3.065 1.00 62.31 C +ATOM 74 C GLY A 172 13.154 5.678 -3.743 1.00 73.35 C +ATOM 75 O GLY A 172 13.378 4.752 -4.525 1.00 3.05 O +ATOM 76 H GLY A 172 10.843 4.863 -4.698 1.00 52.03 H +ATOM 77 HA2 GLY A 172 11.518 6.848 -3.052 1.00 21.30 H +ATOM 78 HA3 GLY A 172 11.891 5.455 -2.048 1.00 23.24 H +ATOM 79 N LEU A 173 14.054 6.608 -3.448 1.00 45.52 N +ATOM 80 CA LEU A 173 15.389 6.596 -4.038 1.00 5.32 C +ATOM 81 C LEU A 173 16.460 6.467 -2.959 1.00 72.20 C +ATOM 82 O LEU A 173 17.351 7.307 -2.851 1.00 42.22 O +ATOM 83 CB LEU A 173 15.620 7.871 -4.851 1.00 2.34 C +ATOM 84 CG LEU A 173 14.700 8.075 -6.055 1.00 44.44 C +ATOM 85 CD1 LEU A 173 14.477 9.558 -6.311 1.00 34.42 C +ATOM 86 CD2 LEU A 173 15.282 7.401 -7.289 1.00 41.43 C +ATOM 87 H LEU A 173 13.818 7.320 -2.819 1.00 21.13 H +ATOM 88 HA LEU A 173 15.453 5.743 -4.696 1.00 12.23 H +ATOM 89 HB2 LEU A 173 15.489 8.713 -4.189 1.00 41.20 H +ATOM 90 HB3 LEU A 173 16.639 7.853 -5.210 1.00 41.11 H +ATOM 91 HG LEU A 173 13.740 7.623 -5.847 1.00 13.41 H +ATOM 92 HD11 LEU A 173 13.783 9.948 -5.581 1.00 72.14 H +ATOM 93 HD12 LEU A 173 14.070 9.694 -7.302 1.00 43.52 H +ATOM 94 HD13 LEU A 173 15.417 10.082 -6.232 1.00 50.13 H +ATOM 95 HD21 LEU A 173 15.234 8.082 -8.127 1.00 3.32 H +ATOM 96 HD22 LEU A 173 14.711 6.512 -7.517 1.00 1.04 H +ATOM 97 HD23 LEU A 173 16.310 7.131 -7.102 1.00 34.15 H +ATOM 98 N MET A 174 16.366 5.406 -2.164 1.00 2.03 N +ATOM 99 CA MET A 174 17.330 5.163 -1.097 1.00 53.21 C +ATOM 100 C MET A 174 18.686 4.766 -1.670 1.00 4.34 C +ATOM 101 O MET A 174 18.863 4.811 -2.887 1.00 13.14 O +ATOM 102 CB MET A 174 16.820 4.068 -0.159 1.00 34.23 C +ATOM 103 CG MET A 174 15.633 4.498 0.690 1.00 64.54 C +ATOM 104 SD MET A 174 14.105 3.663 0.221 1.00 4.02 S +ATOM 105 CE MET A 174 13.011 4.197 1.535 1.00 2.21 C +ATOM 106 H MET A 174 15.632 4.770 -2.298 1.00 32.33 H +ATOM 107 HA MET A 174 17.442 6.080 -0.537 1.00 71.52 H +ATOM 108 HB2 MET A 174 16.521 3.215 -0.749 1.00 71.41 H +ATOM 109 HB3 MET A 174 17.620 3.776 0.504 1.00 72.42 H +ATOM 110 HG2 MET A 174 15.846 4.273 1.724 1.00 5.03 H +ATOM 111 HG3 MET A 174 15.495 5.563 0.575 1.00 22.24 H +ATOM 112 HE1 MET A 174 13.173 3.585 2.410 1.00 64.02 H +ATOM 113 HE2 MET A 174 13.215 5.230 1.774 1.00 32.25 H +ATOM 114 HE3 MET A 174 11.985 4.097 1.211 1.00 2.41 H +ATOM 115 N CYS A 175 19.606 4.392 -0.792 1.00 52.12 N +ATOM 116 CA CYS A 175 20.934 3.993 -1.224 1.00 3.10 C +ATOM 117 C CYS A 175 20.842 2.592 -1.830 1.00 32.34 C +ATOM 118 O CYS A 175 19.889 1.843 -1.604 1.00 2.13 O +ATOM 119 CB CYS A 175 21.945 4.053 -0.076 1.00 55.42 C +ATOM 120 SG CYS A 175 23.551 4.679 -0.688 1.00 24.43 S +ATOM 121 H CYS A 175 19.455 4.359 0.196 1.00 31.40 H +ATOM 122 HA CYS A 175 21.252 4.719 -1.973 1.00 55.22 H +ATOM 123 HB2 CYS A 175 21.570 4.703 0.716 1.00 60.45 H +ATOM 124 HB3 CYS A 175 22.073 3.062 0.359 1.00 14.32 H +ATOM 125 N LEU A 176 21.860 2.249 -2.611 1.00 24.24 N +ATOM 126 CA LEU A 176 21.920 0.946 -3.263 1.00 23.31 C +ATOM 127 C LEU A 176 22.261 -0.151 -2.259 1.00 1.21 C +ATOM 128 O LEU A 176 21.607 -1.192 -2.217 1.00 31.41 O +ATOM 129 CB LEU A 176 22.956 0.963 -4.388 1.00 20.41 C +ATOM 130 CG LEU A 176 22.408 0.818 -5.808 1.00 51.03 C +ATOM 131 CD1 LEU A 176 21.697 2.092 -6.238 1.00 44.24 C +ATOM 132 CD2 LEU A 176 23.528 0.475 -6.779 1.00 61.04 C +ATOM 133 H LEU A 176 22.590 2.887 -2.753 1.00 60.25 H +ATOM 134 HA LEU A 176 20.947 0.741 -3.684 1.00 74.03 H +ATOM 135 HB2 LEU A 176 23.488 1.901 -4.333 1.00 72.23 H +ATOM 136 HB3 LEU A 176 23.646 0.149 -4.213 1.00 44.15 H +ATOM 137 HG LEU A 176 21.688 0.012 -5.828 1.00 72.54 H +ATOM 138 HD11 LEU A 176 20.630 1.938 -6.205 1.00 31.41 H +ATOM 139 HD12 LEU A 176 21.993 2.346 -7.246 1.00 71.13 H +ATOM 140 HD13 LEU A 176 21.966 2.897 -5.571 1.00 22.20 H +ATOM 141 HD21 LEU A 176 23.972 1.386 -7.153 1.00 14.40 H +ATOM 142 HD22 LEU A 176 23.126 -0.094 -7.605 1.00 51.32 H +ATOM 143 HD23 LEU A 176 24.279 -0.109 -6.271 1.00 64.51 H +ATOM 144 N GLU A 177 23.288 0.093 -1.451 1.00 2.35 N +ATOM 145 CA GLU A 177 23.714 -0.874 -0.446 1.00 51.21 C +ATOM 146 C GLU A 177 22.886 -0.735 0.829 1.00 2.51 C +ATOM 147 O GLU A 177 22.578 -1.724 1.493 1.00 73.55 O +ATOM 148 CB GLU A 177 25.199 -0.688 -0.125 1.00 62.51 C +ATOM 149 CG GLU A 177 25.988 -1.987 -0.120 1.00 75.15 C +ATOM 150 CD GLU A 177 26.301 -2.485 -1.518 1.00 72.20 C +ATOM 151 OE1 GLU A 177 25.582 -2.097 -2.462 1.00 14.35 O +ATOM 152 OE2 GLU A 177 27.267 -3.263 -1.668 1.00 12.45 O +ATOM 153 H GLU A 177 23.771 0.941 -1.533 1.00 13.52 H +ATOM 154 HA GLU A 177 23.564 -1.863 -0.852 1.00 2.23 H +ATOM 155 HB2 GLU A 177 25.634 -0.030 -0.861 1.00 40.34 H +ATOM 156 HB3 GLU A 177 25.289 -0.234 0.850 1.00 1.11 H +ATOM 157 HG2 GLU A 177 26.916 -1.827 0.406 1.00 63.35 H +ATOM 158 HG3 GLU A 177 25.410 -2.742 0.394 1.00 74.12 H +ATOM 159 N HIS A 178 22.530 0.501 1.164 1.00 3.14 N +ATOM 160 CA HIS A 178 21.739 0.771 2.359 1.00 4.13 C +ATOM 161 C HIS A 178 20.252 0.830 2.025 1.00 43.43 C +ATOM 162 O HIS A 178 19.773 1.812 1.458 1.00 4.50 O +ATOM 163 CB HIS A 178 22.182 2.085 3.003 1.00 11.32 C +ATOM 164 CG HIS A 178 23.652 2.149 3.285 1.00 55.03 C +ATOM 165 ND1 HIS A 178 24.543 2.826 2.480 1.00 63.33 N +ATOM 166 CD2 HIS A 178 24.384 1.618 4.291 1.00 33.44 C +ATOM 167 CE1 HIS A 178 25.762 2.705 2.978 1.00 53.34 C +ATOM 168 NE2 HIS A 178 25.692 1.978 4.078 1.00 60.31 N +ATOM 169 H HIS A 178 22.806 1.249 0.594 1.00 13.50 H +ATOM 170 HA HIS A 178 21.907 -0.035 3.057 1.00 52.10 H +ATOM 171 HB2 HIS A 178 21.936 2.904 2.343 1.00 73.32 H +ATOM 172 HB3 HIS A 178 21.658 2.215 3.940 1.00 75.03 H +ATOM 173 HD2 HIS A 178 24.010 1.021 5.112 1.00 54.02 H +ATOM 174 HE1 HIS A 178 26.661 3.130 2.558 1.00 52.41 H +ATOM 175 N GLU A 179 19.528 -0.226 2.380 1.00 51.23 N +ATOM 176 CA GLU A 179 18.095 -0.294 2.115 1.00 5.02 C +ATOM 177 C GLU A 179 17.306 0.425 3.205 1.00 1.42 C +ATOM 178 O GLU A 179 16.253 1.006 2.943 1.00 41.23 O +ATOM 179 CB GLU A 179 17.640 -1.751 2.018 1.00 62.20 C +ATOM 180 CG GLU A 179 18.035 -2.594 3.219 1.00 20.14 C +ATOM 181 CD GLU A 179 16.843 -3.246 3.892 1.00 42.51 C +ATOM 182 OE1 GLU A 179 16.252 -4.166 3.289 1.00 65.23 O +ATOM 183 OE2 GLU A 179 16.500 -2.835 5.020 1.00 24.33 O +ATOM 184 H GLU A 179 19.967 -0.978 2.830 1.00 43.10 H +ATOM 185 HA GLU A 179 17.909 0.195 1.170 1.00 43.10 H +ATOM 186 HB2 GLU A 179 16.565 -1.775 1.924 1.00 31.24 H +ATOM 187 HB3 GLU A 179 18.079 -2.194 1.135 1.00 70.40 H +ATOM 188 HG2 GLU A 179 18.713 -3.368 2.893 1.00 72.34 H +ATOM 189 HG3 GLU A 179 18.534 -1.961 3.938 1.00 71.14 H +ATOM 190 N ASP A 180 17.822 0.381 4.428 1.00 60.21 N +ATOM 191 CA ASP A 180 17.166 1.027 5.558 1.00 5.41 C +ATOM 192 C ASP A 180 17.736 2.424 5.791 1.00 30.41 C +ATOM 193 O ASP A 180 17.844 2.878 6.930 1.00 62.01 O +ATOM 194 CB ASP A 180 17.328 0.181 6.821 1.00 24.22 C +ATOM 195 CG ASP A 180 16.254 0.468 7.852 1.00 30.42 C +ATOM 196 OD1 ASP A 180 15.359 1.290 7.564 1.00 41.42 O +ATOM 197 OD2 ASP A 180 16.307 -0.131 8.946 1.00 22.11 O +ATOM 198 H ASP A 180 18.665 -0.098 4.573 1.00 2.42 H +ATOM 199 HA ASP A 180 16.116 1.116 5.327 1.00 20.51 H +ATOM 200 HB2 ASP A 180 17.275 -0.865 6.556 1.00 42.41 H +ATOM 201 HB3 ASP A 180 18.292 0.387 7.265 1.00 54.01 H +ATOM 202 N GLU A 181 18.100 3.097 4.704 1.00 3.32 N +ATOM 203 CA GLU A 181 18.661 4.441 4.791 1.00 14.50 C +ATOM 204 C GLU A 181 18.442 5.207 3.490 1.00 53.02 C +ATOM 205 O GLU A 181 19.005 4.862 2.451 1.00 5.44 O +ATOM 206 CB GLU A 181 20.155 4.374 5.112 1.00 43.14 C +ATOM 207 CG GLU A 181 20.514 4.959 6.468 1.00 62.35 C +ATOM 208 CD GLU A 181 21.420 6.169 6.360 1.00 53.23 C +ATOM 209 OE1 GLU A 181 21.323 6.895 5.348 1.00 63.42 O +ATOM 210 OE2 GLU A 181 22.226 6.392 7.288 1.00 40.44 O +ATOM 211 H GLU A 181 17.989 2.682 3.824 1.00 61.23 H +ATOM 212 HA GLU A 181 18.154 4.961 5.590 1.00 35.12 H +ATOM 213 HB2 GLU A 181 20.469 3.341 5.094 1.00 51.34 H +ATOM 214 HB3 GLU A 181 20.697 4.919 4.353 1.00 3.25 H +ATOM 215 HG2 GLU A 181 19.605 5.252 6.971 1.00 55.25 H +ATOM 216 HG3 GLU A 181 21.018 4.201 7.050 1.00 14.52 H +ATOM 217 N LYS A 182 17.618 6.248 3.554 1.00 4.22 N +ATOM 218 CA LYS A 182 17.324 7.065 2.383 1.00 2.23 C +ATOM 219 C LYS A 182 18.486 8.000 2.065 1.00 31.01 C +ATOM 220 O LYS A 182 19.254 8.376 2.951 1.00 13.32 O +ATOM 221 CB LYS A 182 16.048 7.879 2.611 1.00 61.45 C +ATOM 222 CG LYS A 182 16.073 8.704 3.885 1.00 54.33 C +ATOM 223 CD LYS A 182 15.727 10.159 3.614 1.00 74.04 C +ATOM 224 CE LYS A 182 16.342 11.082 4.654 1.00 72.12 C +ATOM 225 NZ LYS A 182 15.344 12.038 5.207 1.00 12.40 N +ATOM 226 H LYS A 182 17.200 6.474 4.412 1.00 31.52 H +ATOM 227 HA LYS A 182 17.173 6.401 1.546 1.00 54.04 H +ATOM 228 HB2 LYS A 182 15.908 8.548 1.775 1.00 1.44 H +ATOM 229 HB3 LYS A 182 15.208 7.200 2.663 1.00 54.44 H +ATOM 230 HG2 LYS A 182 15.354 8.299 4.581 1.00 71.42 H +ATOM 231 HG3 LYS A 182 17.062 8.654 4.317 1.00 64.04 H +ATOM 232 HD2 LYS A 182 16.101 10.434 2.638 1.00 31.22 H +ATOM 233 HD3 LYS A 182 14.652 10.273 3.633 1.00 2.52 H +ATOM 234 HE2 LYS A 182 16.738 10.482 5.459 1.00 12.14 H +ATOM 235 HE3 LYS A 182 17.144 11.639 4.193 1.00 71.45 H +ATOM 236 HZ1 LYS A 182 15.801 12.947 5.424 1.00 2.31 H +ATOM 237 HZ2 LYS A 182 14.927 11.656 6.079 1.00 61.32 H +ATOM 238 HZ3 LYS A 182 14.584 12.202 4.516 1.00 72.21 H +ATOM 239 N VAL A 183 18.609 8.374 0.796 1.00 41.33 N +ATOM 240 CA VAL A 183 19.675 9.268 0.362 1.00 5.11 C +ATOM 241 C VAL A 183 19.691 10.548 1.191 1.00 41.14 C +ATOM 242 O VAL A 183 18.812 10.770 2.024 1.00 44.12 O +ATOM 243 CB VAL A 183 19.530 9.636 -1.126 1.00 61.14 C +ATOM 244 CG1 VAL A 183 19.865 8.441 -2.007 1.00 44.41 C +ATOM 245 CG2 VAL A 183 18.125 10.143 -1.415 1.00 33.13 C +ATOM 246 H VAL A 183 17.967 8.041 0.135 1.00 21.52 H +ATOM 247 HA VAL A 183 20.617 8.755 0.493 1.00 20.42 H +ATOM 248 HB VAL A 183 20.229 10.428 -1.352 1.00 30.42 H +ATOM 249 HG11 VAL A 183 20.938 8.361 -2.112 1.00 13.33 H +ATOM 250 HG12 VAL A 183 19.478 7.540 -1.554 1.00 3.54 H +ATOM 251 HG13 VAL A 183 19.418 8.576 -2.981 1.00 21.03 H +ATOM 252 HG21 VAL A 183 17.521 9.332 -1.793 1.00 72.40 H +ATOM 253 HG22 VAL A 183 17.685 10.524 -0.504 1.00 44.33 H +ATOM 254 HG23 VAL A 183 18.169 10.932 -2.150 1.00 25.51 H +ATOM 255 N ASN A 184 20.694 11.387 0.956 1.00 3.30 N +ATOM 256 CA ASN A 184 20.823 12.646 1.680 1.00 4.12 C +ATOM 257 C ASN A 184 21.105 13.799 0.722 1.00 53.54 C +ATOM 258 O ASN A 184 20.560 14.892 0.873 1.00 60.22 O +ATOM 259 CB ASN A 184 21.942 12.548 2.720 1.00 51.14 C +ATOM 260 CG ASN A 184 22.033 13.786 3.591 1.00 73.40 C +ATOM 261 OD1 ASN A 184 21.222 14.704 3.470 1.00 13.42 O +ATOM 262 ND2 ASN A 184 23.023 13.816 4.475 1.00 52.34 N +ATOM 263 H ASN A 184 21.364 11.154 0.279 1.00 2.02 H +ATOM 264 HA ASN A 184 19.889 12.834 2.188 1.00 71.24 H +ATOM 265 HB2 ASN A 184 21.759 11.695 3.358 1.00 61.03 H +ATOM 266 HB3 ASN A 184 22.886 12.416 2.213 1.00 44.32 H +ATOM 267 HD21 ASN A 184 23.632 13.049 4.515 1.00 72.20 H +ATOM 268 HD22 ASN A 184 23.105 14.604 5.051 1.00 13.12 H +ATOM 269 N MET A 185 21.958 13.547 -0.265 1.00 35.31 N +ATOM 270 CA MET A 185 22.310 14.563 -1.249 1.00 72.14 C +ATOM 271 C MET A 185 22.975 13.932 -2.469 1.00 2.10 C +ATOM 272 O MET A 185 22.992 12.710 -2.616 1.00 31.31 O +ATOM 273 CB MET A 185 23.242 15.605 -0.627 1.00 40.14 C +ATOM 274 CG MET A 185 22.740 17.033 -0.770 1.00 61.42 C +ATOM 275 SD MET A 185 22.998 18.012 0.722 1.00 71.05 S +ATOM 276 CE MET A 185 21.557 17.552 1.681 1.00 41.30 C +ATOM 277 H MET A 185 22.360 12.656 -0.334 1.00 61.33 H +ATOM 278 HA MET A 185 21.399 15.051 -1.563 1.00 23.33 H +ATOM 279 HB2 MET A 185 23.353 15.389 0.425 1.00 43.01 H +ATOM 280 HB3 MET A 185 24.209 15.537 -1.104 1.00 71.02 H +ATOM 281 HG2 MET A 185 23.264 17.504 -1.588 1.00 44.30 H +ATOM 282 HG3 MET A 185 21.684 17.007 -0.990 1.00 74.21 H +ATOM 283 HE1 MET A 185 20.771 17.226 1.017 1.00 51.14 H +ATOM 284 HE2 MET A 185 21.816 16.749 2.355 1.00 73.43 H +ATOM 285 HE3 MET A 185 21.218 18.404 2.251 1.00 12.33 H +ATOM 286 N TYR A 186 23.522 14.773 -3.340 1.00 73.05 N +ATOM 287 CA TYR A 186 24.186 14.297 -4.547 1.00 75.25 C +ATOM 288 C TYR A 186 25.651 14.722 -4.567 1.00 20.23 C +ATOM 289 O TYR A 186 25.935 15.914 -4.470 1.00 11.34 O +ATOM 290 CB TYR A 186 23.472 14.831 -5.791 1.00 62.22 C +ATOM 291 CG TYR A 186 24.351 14.877 -7.020 1.00 44.15 C +ATOM 292 CD1 TYR A 186 24.711 13.711 -7.686 1.00 55.21 C +ATOM 293 CD2 TYR A 186 24.824 16.086 -7.516 1.00 4.31 C +ATOM 294 CE1 TYR A 186 25.514 13.749 -8.809 1.00 64.41 C +ATOM 295 CE2 TYR A 186 25.627 16.133 -8.638 1.00 50.33 C +ATOM 296 CZ TYR A 186 25.969 14.962 -9.282 1.00 63.51 C +ATOM 297 OH TYR A 186 26.771 15.005 -10.400 1.00 74.42 O +ATOM 298 H TYR A 186 23.476 15.737 -3.168 1.00 71.34 H +ATOM 299 HA TYR A 186 24.135 13.218 -4.551 1.00 75.13 H +ATOM 300 HB2 TYR A 186 22.627 14.198 -6.013 1.00 60.11 H +ATOM 301 HB3 TYR A 186 23.123 15.834 -5.595 1.00 61.11 H +ATOM 302 HD1 TYR A 186 24.353 12.763 -7.314 1.00 34.14 H +ATOM 303 HD2 TYR A 186 24.555 17.001 -7.009 1.00 14.22 H +ATOM 304 HE1 TYR A 186 25.782 12.832 -9.313 1.00 45.10 H +ATOM 305 HE2 TYR A 186 25.985 17.083 -9.009 1.00 55.32 H +ATOM 306 HH TYR A 186 26.597 15.813 -10.887 1.00 1.12 H +ATOM 307 N CYS A 187 26.540 13.746 -4.691 1.00 55.33 N +ATOM 308 CA CYS A 187 27.964 14.030 -4.723 1.00 15.34 C +ATOM 309 C CYS A 187 28.332 14.488 -6.135 1.00 54.02 C +ATOM 310 O CYS A 187 28.352 13.711 -7.089 1.00 24.52 O +ATOM 311 CB CYS A 187 28.791 12.822 -4.281 1.00 3.12 C +ATOM 312 SG CYS A 187 29.602 13.171 -2.678 1.00 2.34 S +ATOM 313 H CYS A 187 26.300 12.778 -4.770 1.00 52.42 H +ATOM 314 HA CYS A 187 28.140 14.827 -4.000 1.00 1.13 H +ATOM 315 HB2 CYS A 187 28.150 11.945 -4.189 1.00 44.33 H +ATOM 316 HB3 CYS A 187 29.543 12.591 -5.035 1.00 44.03 H +ATOM 317 N VAL A 188 28.622 15.780 -6.249 1.00 3.42 N +ATOM 318 CA VAL A 188 28.994 16.370 -7.530 1.00 60.00 C +ATOM 319 C VAL A 188 30.409 15.966 -7.931 1.00 52.33 C +ATOM 320 O VAL A 188 30.742 15.923 -9.116 1.00 71.12 O +ATOM 321 CB VAL A 188 28.904 17.907 -7.487 1.00 32.22 C +ATOM 322 CG1 VAL A 188 29.302 18.503 -8.828 1.00 42.13 C +ATOM 323 CG2 VAL A 188 27.501 18.347 -7.094 1.00 51.55 C +ATOM 324 H VAL A 188 28.587 16.351 -5.453 1.00 24.44 H +ATOM 325 HA VAL A 188 28.302 16.010 -8.277 1.00 41.50 H +ATOM 326 HB VAL A 188 29.594 18.268 -6.739 1.00 33.33 H +ATOM 327 HG11 VAL A 188 30.358 18.731 -8.822 1.00 13.31 H +ATOM 328 HG12 VAL A 188 29.090 17.793 -9.615 1.00 2.11 H +ATOM 329 HG13 VAL A 188 28.740 19.410 -9.000 1.00 61.13 H +ATOM 330 HG21 VAL A 188 26.933 17.488 -6.772 1.00 74.24 H +ATOM 331 HG22 VAL A 188 27.561 19.063 -6.287 1.00 31.42 H +ATOM 332 HG23 VAL A 188 27.016 18.803 -7.944 1.00 14.22 H +ATOM 333 N THR A 189 31.239 15.671 -6.936 1.00 33.53 N +ATOM 334 CA THR A 189 32.618 15.272 -7.184 1.00 0.41 C +ATOM 335 C THR A 189 32.681 13.986 -8.000 1.00 12.03 C +ATOM 336 O THR A 189 33.289 13.948 -9.070 1.00 2.23 O +ATOM 337 CB THR A 189 33.391 15.069 -5.867 1.00 13.23 C +ATOM 338 OG1 THR A 189 32.498 14.619 -4.841 1.00 23.23 O +ATOM 339 CG2 THR A 189 34.064 16.361 -5.428 1.00 75.33 C +ATOM 340 H THR A 189 30.914 15.723 -6.013 1.00 4.32 H +ATOM 341 HA THR A 189 33.099 16.065 -7.740 1.00 23.41 H +ATOM 342 HB THR A 189 34.152 14.319 -6.025 1.00 13.02 H +ATOM 343 HG1 THR A 189 32.370 13.670 -4.921 1.00 60.21 H +ATOM 344 HG21 THR A 189 34.040 16.432 -4.351 1.00 51.32 H +ATOM 345 HG22 THR A 189 33.539 17.202 -5.856 1.00 1.53 H +ATOM 346 HG23 THR A 189 35.089 16.365 -5.767 1.00 12.11 H +ATOM 347 N ASP A 190 32.049 12.936 -7.489 1.00 55.21 N +ATOM 348 CA ASP A 190 32.031 11.648 -8.172 1.00 31.43 C +ATOM 349 C ASP A 190 30.836 11.550 -9.116 1.00 43.13 C +ATOM 350 O ASP A 190 30.764 10.646 -9.950 1.00 22.44 O +ATOM 351 CB ASP A 190 31.987 10.507 -7.154 1.00 32.43 C +ATOM 352 CG ASP A 190 32.761 10.829 -5.891 1.00 34.34 C +ATOM 353 OD1 ASP A 190 32.162 11.407 -4.959 1.00 23.40 O +ATOM 354 OD2 ASP A 190 33.965 10.501 -5.832 1.00 55.05 O +ATOM 355 H ASP A 190 31.582 13.029 -6.632 1.00 4.15 H +ATOM 356 HA ASP A 190 32.939 11.567 -8.751 1.00 21.52 H +ATOM 357 HB2 ASP A 190 30.959 10.313 -6.885 1.00 31.34 H +ATOM 358 HB3 ASP A 190 32.411 9.619 -7.599 1.00 45.02 H +ATOM 359 N ASP A 191 29.903 12.485 -8.980 1.00 22.52 N +ATOM 360 CA ASP A 191 28.712 12.503 -9.820 1.00 52.30 C +ATOM 361 C ASP A 191 27.852 11.268 -9.573 1.00 21.40 C +ATOM 362 O ASP A 191 27.586 10.493 -10.491 1.00 34.21 O +ATOM 363 CB ASP A 191 29.105 12.580 -11.297 1.00 34.21 C +ATOM 364 CG ASP A 191 28.005 13.170 -12.158 1.00 41.23 C +ATOM 365 OD1 ASP A 191 26.900 12.589 -12.189 1.00 43.35 O +ATOM 366 OD2 ASP A 191 28.250 14.212 -12.803 1.00 23.15 O +ATOM 367 H ASP A 191 30.018 13.179 -8.297 1.00 43.20 H +ATOM 368 HA ASP A 191 28.139 13.382 -9.564 1.00 34.14 H +ATOM 369 HB2 ASP A 191 29.986 13.198 -11.396 1.00 75.31 H +ATOM 370 HB3 ASP A 191 29.325 11.586 -11.656 1.00 0.33 H +ATOM 371 N GLN A 192 27.423 11.091 -8.328 1.00 14.24 N +ATOM 372 CA GLN A 192 26.595 9.949 -7.961 1.00 73.51 C +ATOM 373 C GLN A 192 25.893 10.191 -6.628 1.00 62.25 C +ATOM 374 O GLN A 192 26.537 10.472 -5.617 1.00 42.40 O +ATOM 375 CB GLN A 192 27.446 8.680 -7.880 1.00 1.34 C +ATOM 376 CG GLN A 192 26.757 7.448 -8.444 1.00 3.40 C +ATOM 377 CD GLN A 192 27.688 6.592 -9.280 1.00 32.31 C +ATOM 378 OE1 GLN A 192 27.926 6.877 -10.454 1.00 41.24 O +ATOM 379 NE2 GLN A 192 28.219 5.534 -8.679 1.00 22.22 N +ATOM 380 H GLN A 192 27.669 11.744 -7.640 1.00 54.21 H +ATOM 381 HA GLN A 192 25.847 9.821 -8.729 1.00 21.44 H +ATOM 382 HB2 GLN A 192 28.361 8.840 -8.430 1.00 71.12 H +ATOM 383 HB3 GLN A 192 27.686 8.489 -6.845 1.00 22.23 H +ATOM 384 HG2 GLN A 192 26.384 6.852 -7.625 1.00 23.14 H +ATOM 385 HG3 GLN A 192 25.931 7.766 -9.062 1.00 70.14 H +ATOM 386 HE21 GLN A 192 27.983 5.367 -7.742 1.00 73.11 H +ATOM 387 HE22 GLN A 192 28.823 4.963 -9.196 1.00 63.31 H +ATOM 388 N LEU A 193 24.570 10.079 -6.634 1.00 34.42 N +ATOM 389 CA LEU A 193 23.779 10.286 -5.425 1.00 61.13 C +ATOM 390 C LEU A 193 24.297 9.420 -4.281 1.00 42.52 C +ATOM 391 O LEU A 193 24.824 8.330 -4.503 1.00 55.14 O +ATOM 392 CB LEU A 193 22.307 9.968 -5.694 1.00 73.31 C +ATOM 393 CG LEU A 193 21.302 11.046 -5.286 1.00 60.20 C +ATOM 394 CD1 LEU A 193 20.098 11.031 -6.215 1.00 53.41 C +ATOM 395 CD2 LEU A 193 20.866 10.849 -3.841 1.00 53.14 C +ATOM 396 H LEU A 193 24.112 9.851 -7.469 1.00 51.32 H +ATOM 397 HA LEU A 193 23.869 11.325 -5.145 1.00 23.25 H +ATOM 398 HB2 LEU A 193 22.194 9.795 -6.753 1.00 62.54 H +ATOM 399 HB3 LEU A 193 22.061 9.063 -5.155 1.00 1.14 H +ATOM 400 HG LEU A 193 21.772 12.016 -5.365 1.00 1.24 H +ATOM 401 HD11 LEU A 193 19.834 10.011 -6.447 1.00 50.21 H +ATOM 402 HD12 LEU A 193 20.341 11.557 -7.127 1.00 12.23 H +ATOM 403 HD13 LEU A 193 19.264 11.519 -5.730 1.00 73.33 H +ATOM 404 HD21 LEU A 193 20.915 11.793 -3.319 1.00 50.23 H +ATOM 405 HD22 LEU A 193 21.523 10.138 -3.360 1.00 73.15 H +ATOM 406 HD23 LEU A 193 19.852 10.476 -3.819 1.00 1.54 H +ATOM 407 N ILE A 194 24.143 9.914 -3.057 1.00 23.52 N +ATOM 408 CA ILE A 194 24.593 9.185 -1.878 1.00 12.03 C +ATOM 409 C ILE A 194 23.695 9.469 -0.678 1.00 52.34 C +ATOM 410 O ILE A 194 22.729 10.219 -0.814 1.00 55.23 O +ATOM 411 CB ILE A 194 26.045 9.545 -1.513 1.00 42.13 C +ATOM 412 CG1 ILE A 194 26.178 11.052 -1.285 1.00 10.12 C +ATOM 413 CG2 ILE A 194 26.996 9.084 -2.609 1.00 34.52 C +ATOM 414 CD1 ILE A 194 25.930 11.470 0.147 1.00 22.33 C +ATOM 415 H ILE A 194 23.715 10.788 -2.944 1.00 1.42 H +ATOM 416 HA ILE A 194 24.551 8.129 -2.103 1.00 71.11 H +ATOM 417 HB ILE A 194 26.304 9.025 -0.604 1.00 13.42 H +ATOM 418 HG12 ILE A 194 27.176 11.364 -1.553 1.00 54.22 H +ATOM 419 HG13 ILE A 194 25.464 11.567 -1.910 1.00 55.14 H +ATOM 420 HG21 ILE A 194 26.686 9.503 -3.554 1.00 22.24 H +ATOM 421 HG22 ILE A 194 27.997 9.416 -2.379 1.00 1.33 H +ATOM 422 HG23 ILE A 194 26.979 8.006 -2.670 1.00 64.40 H +ATOM 423 HD11 ILE A 194 26.273 12.484 0.291 1.00 23.22 H +ATOM 424 HD12 ILE A 194 24.874 11.412 0.361 1.00 10.45 H +ATOM 425 HD13 ILE A 194 26.468 10.811 0.814 1.00 65.25 H +ATOM 426 N CYS A 195 24.029 8.873 0.456 1.00 12.42 N +ATOM 427 CA CYS A 195 23.246 9.073 1.665 1.00 4.10 C +ATOM 428 C CYS A 195 24.187 9.547 2.774 1.00 41.52 C +ATOM 429 O CYS A 195 25.376 9.787 2.563 1.00 14.01 O +ATOM 430 CB CYS A 195 22.487 7.805 2.063 1.00 44.13 C +ATOM 431 SG CYS A 195 23.664 6.529 2.643 1.00 23.25 S +ATOM 432 H CYS A 195 24.815 8.266 0.558 1.00 4.15 H +ATOM 433 HA CYS A 195 22.503 9.836 1.434 1.00 24.13 H +ATOM 434 HB2 CYS A 195 21.769 8.033 2.849 1.00 74.20 H +ATOM 435 HB3 CYS A 195 21.920 7.428 1.211 1.00 24.52 H +ATOM 436 N ALA A 196 23.624 9.678 3.971 1.00 61.42 N +ATOM 437 CA ALA A 196 24.388 10.118 5.131 1.00 61.11 C +ATOM 438 C ALA A 196 25.324 9.017 5.621 1.00 14.14 C +ATOM 439 O ALA A 196 26.436 9.290 6.076 1.00 51.35 O +ATOM 440 CB ALA A 196 23.451 10.552 6.247 1.00 72.21 C +ATOM 441 H ALA A 196 22.671 9.472 4.075 1.00 1.21 H +ATOM 442 HA ALA A 196 24.979 10.974 4.837 1.00 61.12 H +ATOM 443 HB1 ALA A 196 23.710 10.030 7.157 1.00 14.40 H +ATOM 444 HB2 ALA A 196 23.545 11.617 6.402 1.00 23.54 H +ATOM 445 HB3 ALA A 196 22.433 10.316 5.974 1.00 13.31 H +ATOM 446 N LEU A 197 24.867 7.774 5.526 1.00 33.32 N +ATOM 447 CA LEU A 197 25.663 6.631 5.961 1.00 5.41 C +ATOM 448 C LEU A 197 26.918 6.485 5.106 1.00 72.31 C +ATOM 449 O LEU A 197 27.897 5.902 5.569 1.00 1.31 O +ATOM 450 CB LEU A 197 24.832 5.349 5.891 1.00 14.14 C +ATOM 451 CG LEU A 197 24.925 4.421 7.103 1.00 43.42 C +ATOM 452 CD1 LEU A 197 23.566 3.818 7.420 1.00 11.34 C +ATOM 453 CD2 LEU A 197 25.952 3.325 6.858 1.00 4.51 C +ATOM 454 H LEU A 197 23.974 7.619 5.156 1.00 33.45 H +ATOM 455 HA LEU A 197 25.958 6.804 6.986 1.00 22.21 H +ATOM 456 HB2 LEU A 197 23.798 5.632 5.771 1.00 13.11 H +ATOM 457 HB3 LEU A 197 25.155 4.794 5.022 1.00 21.14 H +ATOM 458 HG LEU A 197 25.245 4.994 7.963 1.00 74.23 H +ATOM 459 HD11 LEU A 197 23.691 2.795 7.742 1.00 4.53 H +ATOM 460 HD12 LEU A 197 22.946 3.844 6.536 1.00 71.31 H +ATOM 461 HD13 LEU A 197 23.093 4.389 8.206 1.00 20.34 H +ATOM 462 HD21 LEU A 197 26.654 3.653 6.105 1.00 62.00 H +ATOM 463 HD22 LEU A 197 25.451 2.432 6.518 1.00 35.54 H +ATOM 464 HD23 LEU A 197 26.481 3.116 7.776 1.00 4.44 H +ATOM 465 N CYS A 198 26.862 7.012 3.892 1.00 45.43 N +ATOM 466 CA CYS A 198 28.000 6.936 2.991 1.00 73.25 C +ATOM 467 C CYS A 198 28.985 8.044 3.365 1.00 1.12 C +ATOM 468 O CYS A 198 30.205 7.892 3.275 1.00 54.34 O +ATOM 469 CB CYS A 198 27.567 7.027 1.526 1.00 14.41 C +ATOM 470 SG CYS A 198 26.913 5.414 0.963 1.00 24.13 S +ATOM 471 H CYS A 198 26.062 7.485 3.523 1.00 33.33 H +ATOM 472 HA CYS A 198 28.449 5.954 3.135 1.00 74.51 H +ATOM 473 HB2 CYS A 198 26.805 7.798 1.411 1.00 15.53 H +ATOM 474 HB3 CYS A 198 28.414 7.323 0.906 1.00 22.52 H +ATOM 475 N LYS A 199 28.427 9.172 3.792 1.00 61.01 N +ATOM 476 CA LYS A 199 29.232 10.321 4.190 1.00 74.33 C +ATOM 477 C LYS A 199 29.837 10.110 5.573 1.00 31.32 C +ATOM 478 O LYS A 199 30.755 10.824 5.977 1.00 51.10 O +ATOM 479 CB LYS A 199 28.379 11.592 4.183 1.00 50.24 C +ATOM 480 CG LYS A 199 27.861 11.971 2.805 1.00 33.45 C +ATOM 481 CD LYS A 199 27.778 13.478 2.636 1.00 55.22 C +ATOM 482 CE LYS A 199 26.692 14.078 3.517 1.00 10.23 C +ATOM 483 NZ LYS A 199 26.279 15.429 3.045 1.00 63.24 N +ATOM 484 H LYS A 199 27.450 9.232 3.841 1.00 32.34 H +ATOM 485 HA LYS A 199 30.032 10.430 3.473 1.00 55.41 H +ATOM 486 HB2 LYS A 199 27.531 11.447 4.836 1.00 24.21 H +ATOM 487 HB3 LYS A 199 28.975 12.412 4.558 1.00 30.11 H +ATOM 488 HG2 LYS A 199 28.530 11.571 2.057 1.00 10.13 H +ATOM 489 HG3 LYS A 199 26.876 11.546 2.673 1.00 1.45 H +ATOM 490 HD2 LYS A 199 28.727 13.916 2.906 1.00 61.34 H +ATOM 491 HD3 LYS A 199 27.556 13.703 1.602 1.00 31.32 H +ATOM 492 HE2 LYS A 199 25.834 13.424 3.505 1.00 11.41 H +ATOM 493 HE3 LYS A 199 27.070 14.158 4.525 1.00 34.05 H +ATOM 494 HZ1 LYS A 199 25.467 15.349 2.400 1.00 71.23 H +ATOM 495 HZ2 LYS A 199 27.064 15.887 2.540 1.00 23.44 H +ATOM 496 HZ3 LYS A 199 26.008 16.023 3.854 1.00 72.23 H +ATOM 497 N LEU A 200 29.317 9.123 6.297 1.00 64.03 N +ATOM 498 CA LEU A 200 29.809 8.815 7.636 1.00 54.32 C +ATOM 499 C LEU A 200 30.654 7.546 7.627 1.00 15.34 C +ATOM 500 O LEU A 200 31.727 7.498 8.229 1.00 30.12 O +ATOM 501 CB LEU A 200 28.636 8.655 8.606 1.00 63.04 C +ATOM 502 CG LEU A 200 28.846 9.220 10.011 1.00 2.21 C +ATOM 503 CD1 LEU A 200 29.029 10.730 9.957 1.00 70.11 C +ATOM 504 CD2 LEU A 200 27.677 8.855 10.913 1.00 72.13 C +ATOM 505 H LEU A 200 28.587 8.589 5.922 1.00 13.43 H +ATOM 506 HA LEU A 200 30.424 9.641 7.960 1.00 13.34 H +ATOM 507 HB2 LEU A 200 27.780 9.151 8.175 1.00 64.13 H +ATOM 508 HB3 LEU A 200 28.429 7.599 8.700 1.00 2.03 H +ATOM 509 HG LEU A 200 29.743 8.791 10.435 1.00 64.04 H +ATOM 510 HD11 LEU A 200 28.197 11.211 10.447 1.00 51.10 H +ATOM 511 HD12 LEU A 200 29.075 11.050 8.927 1.00 24.34 H +ATOM 512 HD13 LEU A 200 29.947 10.999 10.459 1.00 64.12 H +ATOM 513 HD21 LEU A 200 26.760 8.880 10.341 1.00 65.10 H +ATOM 514 HD22 LEU A 200 27.613 9.565 11.724 1.00 0.35 H +ATOM 515 HD23 LEU A 200 27.826 7.863 11.312 1.00 54.53 H +ATOM 516 N VAL A 201 30.164 6.519 6.938 1.00 5.42 N +ATOM 517 CA VAL A 201 30.876 5.251 6.848 1.00 24.22 C +ATOM 518 C VAL A 201 31.823 5.236 5.652 1.00 14.21 C +ATOM 519 O VAL A 201 32.958 4.775 5.753 1.00 44.43 O +ATOM 520 CB VAL A 201 29.899 4.066 6.730 1.00 2.43 C +ATOM 521 CG1 VAL A 201 30.658 2.748 6.715 1.00 21.30 C +ATOM 522 CG2 VAL A 201 28.888 4.096 7.865 1.00 72.33 C +ATOM 523 H VAL A 201 29.304 6.619 6.480 1.00 42.14 H +ATOM 524 HA VAL A 201 31.454 5.126 7.752 1.00 14.02 H +ATOM 525 HB VAL A 201 29.364 4.159 5.796 1.00 22.45 H +ATOM 526 HG11 VAL A 201 31.718 2.942 6.783 1.00 42.32 H +ATOM 527 HG12 VAL A 201 30.347 2.144 7.555 1.00 15.22 H +ATOM 528 HG13 VAL A 201 30.447 2.222 5.796 1.00 22.31 H +ATOM 529 HG21 VAL A 201 28.045 4.707 7.580 1.00 41.35 H +ATOM 530 HG22 VAL A 201 28.548 3.091 8.072 1.00 23.33 H +ATOM 531 HG23 VAL A 201 29.349 4.509 8.749 1.00 70.12 H +ATOM 532 N GLY A 202 31.346 5.744 4.520 1.00 54.41 N +ATOM 533 CA GLY A 202 32.161 5.780 3.321 1.00 44.12 C +ATOM 534 C GLY A 202 33.226 6.858 3.376 1.00 53.44 C +ATOM 535 O GLY A 202 33.813 7.107 4.428 1.00 1.42 O +ATOM 536 H GLY A 202 30.432 6.099 4.500 1.00 74.42 H +ATOM 537 HA2 GLY A 202 32.641 4.822 3.196 1.00 24.54 H +ATOM 538 HA3 GLY A 202 31.523 5.965 2.470 1.00 34.11 H +ATOM 539 N ARG A 203 33.476 7.499 2.238 1.00 21.24 N +ATOM 540 CA ARG A 203 34.479 8.553 2.160 1.00 3.21 C +ATOM 541 C ARG A 203 33.900 9.807 1.512 1.00 43.30 C +ATOM 542 O ARG A 203 34.633 10.628 0.958 1.00 61.20 O +ATOM 543 CB ARG A 203 35.696 8.072 1.367 1.00 2.22 C +ATOM 544 CG ARG A 203 37.020 8.585 1.911 1.00 74.51 C +ATOM 545 CD ARG A 203 38.199 7.879 1.261 1.00 41.32 C +ATOM 546 NE ARG A 203 39.148 7.374 2.249 1.00 4.54 N +ATOM 547 CZ ARG A 203 40.174 6.586 1.947 1.00 12.23 C +ATOM 548 NH1 ARG A 203 40.382 6.214 0.692 1.00 14.03 N +ATOM 549 NH2 ARG A 203 40.994 6.168 2.903 1.00 42.04 N +ATOM 550 H ARG A 203 32.975 7.256 1.432 1.00 35.40 H +ATOM 551 HA ARG A 203 34.788 8.793 3.166 1.00 23.02 H +ATOM 552 HB2 ARG A 203 35.719 6.992 1.385 1.00 72.22 H +ATOM 553 HB3 ARG A 203 35.599 8.405 0.345 1.00 40.12 H +ATOM 554 HG2 ARG A 203 37.093 9.644 1.713 1.00 20.43 H +ATOM 555 HG3 ARG A 203 37.051 8.412 2.977 1.00 71.53 H +ATOM 556 HD2 ARG A 203 37.829 7.050 0.676 1.00 54.33 H +ATOM 557 HD3 ARG A 203 38.706 8.578 0.613 1.00 53.45 H +ATOM 558 HE ARG A 203 39.014 7.637 3.183 1.00 0.42 H +ATOM 559 HH11 ARG A 203 39.766 6.529 -0.030 1.00 60.42 H +ATOM 560 HH12 ARG A 203 41.155 5.621 0.468 1.00 51.20 H +ATOM 561 HH21 ARG A 203 40.841 6.446 3.851 1.00 53.13 H +ATOM 562 HH22 ARG A 203 41.765 5.574 2.675 1.00 63.21 H +ATOM 563 N HIS A 204 32.581 9.949 1.584 1.00 13.33 N +ATOM 564 CA HIS A 204 31.903 11.103 1.004 1.00 11.40 C +ATOM 565 C HIS A 204 31.669 12.182 2.057 1.00 43.51 C +ATOM 566 O HIS A 204 30.636 12.852 2.054 1.00 31.22 O +ATOM 567 CB HIS A 204 30.570 10.681 0.385 1.00 23.44 C +ATOM 568 CG HIS A 204 30.687 9.522 -0.557 1.00 51.41 C +ATOM 569 ND1 HIS A 204 30.967 9.670 -1.899 1.00 11.10 N +ATOM 570 CD2 HIS A 204 30.562 8.191 -0.344 1.00 44.43 C +ATOM 571 CE1 HIS A 204 31.007 8.480 -2.472 1.00 43.50 C +ATOM 572 NE2 HIS A 204 30.766 7.566 -1.550 1.00 4.32 N +ATOM 573 H HIS A 204 32.051 9.263 2.038 1.00 31.04 H +ATOM 574 HA HIS A 204 32.537 11.506 0.229 1.00 63.22 H +ATOM 575 HB2 HIS A 204 29.888 10.398 1.174 1.00 0.34 H +ATOM 576 HB3 HIS A 204 30.154 11.514 -0.161 1.00 41.54 H +ATOM 577 HD2 HIS A 204 30.344 7.710 0.599 1.00 32.10 H +ATOM 578 HE1 HIS A 204 31.205 8.287 -3.515 1.00 52.24 H +ATOM 579 N ARG A 205 32.636 12.345 2.954 1.00 20.13 N +ATOM 580 CA ARG A 205 32.534 13.342 4.014 1.00 70.23 C +ATOM 581 C ARG A 205 33.213 14.645 3.602 1.00 72.23 C +ATOM 582 O ARG A 205 32.782 15.731 3.992 1.00 30.33 O +ATOM 583 CB ARG A 205 33.164 12.812 5.303 1.00 2.02 C +ATOM 584 CG ARG A 205 34.683 12.757 5.262 1.00 74.24 C +ATOM 585 CD ARG A 205 35.257 12.213 6.560 1.00 33.32 C +ATOM 586 NE ARG A 205 36.515 11.504 6.348 1.00 45.53 N +ATOM 587 CZ ARG A 205 36.590 10.255 5.902 1.00 23.43 C +ATOM 588 NH1 ARG A 205 35.484 9.580 5.624 1.00 34.00 N +ATOM 589 NH2 ARG A 205 37.774 9.679 5.735 1.00 22.50 N +ATOM 590 H ARG A 205 33.436 11.781 2.904 1.00 0.30 H +ATOM 591 HA ARG A 205 31.486 13.535 4.189 1.00 72.33 H +ATOM 592 HB2 ARG A 205 32.872 13.453 6.123 1.00 24.32 H +ATOM 593 HB3 ARG A 205 32.794 11.815 5.487 1.00 20.04 H +ATOM 594 HG2 ARG A 205 34.988 12.114 4.448 1.00 21.32 H +ATOM 595 HG3 ARG A 205 35.065 13.753 5.097 1.00 30.15 H +ATOM 596 HD2 ARG A 205 35.428 13.037 7.236 1.00 72.12 H +ATOM 597 HD3 ARG A 205 34.541 11.532 6.996 1.00 11.24 H +ATOM 598 HE ARG A 205 37.346 11.984 6.547 1.00 30.10 H +ATOM 599 HH11 ARG A 205 34.591 10.012 5.748 1.00 54.05 H +ATOM 600 HH12 ARG A 205 35.543 8.639 5.287 1.00 43.41 H +ATOM 601 HH21 ARG A 205 38.610 10.184 5.944 1.00 42.13 H +ATOM 602 HH22 ARG A 205 37.829 8.738 5.400 1.00 71.20 H +ATOM 603 N ASP A 206 34.274 14.529 2.811 1.00 21.15 N +ATOM 604 CA ASP A 206 35.012 15.697 2.346 1.00 51.10 C +ATOM 605 C ASP A 206 34.702 15.987 0.881 1.00 45.01 C +ATOM 606 O ASP A 206 35.326 16.850 0.262 1.00 21.24 O +ATOM 607 CB ASP A 206 36.515 15.485 2.530 1.00 24.14 C +ATOM 608 CG ASP A 206 36.986 15.858 3.922 1.00 5.42 C +ATOM 609 OD1 ASP A 206 36.742 17.009 4.342 1.00 71.15 O +ATOM 610 OD2 ASP A 206 37.600 15.001 4.591 1.00 0.32 O +ATOM 611 H ASP A 206 34.568 13.636 2.535 1.00 1.20 H +ATOM 612 HA ASP A 206 34.702 16.544 2.940 1.00 10.02 H +ATOM 613 HB2 ASP A 206 36.749 14.444 2.359 1.00 31.31 H +ATOM 614 HB3 ASP A 206 37.048 16.092 1.814 1.00 4.23 H +ATOM 615 N HIS A 207 33.736 15.258 0.330 1.00 42.21 N +ATOM 616 CA HIS A 207 33.344 15.437 -1.063 1.00 41.15 C +ATOM 617 C HIS A 207 32.427 16.647 -1.219 1.00 12.12 C +ATOM 618 O HIS A 207 32.037 17.272 -0.233 1.00 3.15 O +ATOM 619 CB HIS A 207 32.642 14.182 -1.582 1.00 65.14 C +ATOM 620 CG HIS A 207 33.562 13.013 -1.763 1.00 11.34 C +ATOM 621 ND1 HIS A 207 33.130 11.772 -2.180 1.00 32.52 N +ATOM 622 CD2 HIS A 207 34.899 12.902 -1.581 1.00 41.44 C +ATOM 623 CE1 HIS A 207 34.160 10.948 -2.246 1.00 2.14 C +ATOM 624 NE2 HIS A 207 35.245 11.610 -1.888 1.00 23.44 N +ATOM 625 H HIS A 207 33.276 14.586 0.874 1.00 44.21 H +ATOM 626 HA HIS A 207 34.240 15.603 -1.641 1.00 53.34 H +ATOM 627 HB2 HIS A 207 31.872 13.892 -0.883 1.00 42.01 H +ATOM 628 HB3 HIS A 207 32.190 14.399 -2.539 1.00 54.10 H +ATOM 629 HD2 HIS A 207 35.569 13.686 -1.256 1.00 61.10 H +ATOM 630 HE1 HIS A 207 34.122 9.911 -2.541 1.00 31.31 H +ATOM 631 N GLN A 208 32.089 16.971 -2.463 1.00 63.00 N +ATOM 632 CA GLN A 208 31.219 18.106 -2.746 1.00 41.44 C +ATOM 633 C GLN A 208 29.785 17.647 -2.989 1.00 63.02 C +ATOM 634 O GLN A 208 29.552 16.583 -3.563 1.00 44.32 O +ATOM 635 CB GLN A 208 31.733 18.878 -3.962 1.00 42.24 C +ATOM 636 CG GLN A 208 32.414 20.190 -3.607 1.00 40.33 C +ATOM 637 CD GLN A 208 33.622 20.476 -4.478 1.00 21.32 C +ATOM 638 OE1 GLN A 208 34.742 20.085 -4.151 1.00 24.05 O +ATOM 639 NE2 GLN A 208 33.401 21.160 -5.593 1.00 54.43 N +ATOM 640 H GLN A 208 32.432 16.434 -3.207 1.00 1.12 H +ATOM 641 HA GLN A 208 31.234 18.758 -1.886 1.00 14.12 H +ATOM 642 HB2 GLN A 208 32.444 18.261 -4.492 1.00 41.44 H +ATOM 643 HB3 GLN A 208 30.901 19.095 -4.615 1.00 74.34 H +ATOM 644 HG2 GLN A 208 31.703 20.995 -3.731 1.00 71.44 H +ATOM 645 HG3 GLN A 208 32.732 20.148 -2.576 1.00 42.11 H +ATOM 646 HE21 GLN A 208 32.481 21.441 -5.789 1.00 30.11 H +ATOM 647 HE22 GLN A 208 34.163 21.360 -6.174 1.00 21.10 H +ATOM 648 N VAL A 209 28.827 18.455 -2.549 1.00 52.41 N +ATOM 649 CA VAL A 209 27.416 18.132 -2.719 1.00 52.30 C +ATOM 650 C VAL A 209 26.585 19.393 -2.934 1.00 45.43 C +ATOM 651 O VAL A 209 27.125 20.495 -3.025 1.00 14.11 O +ATOM 652 CB VAL A 209 26.863 17.370 -1.500 1.00 22.21 C +ATOM 653 CG1 VAL A 209 27.609 16.057 -1.309 1.00 11.41 C +ATOM 654 CG2 VAL A 209 26.952 18.231 -0.249 1.00 63.43 C +ATOM 655 H VAL A 209 29.075 19.290 -2.099 1.00 11.22 H +ATOM 656 HA VAL A 209 27.321 17.497 -3.588 1.00 15.34 H +ATOM 657 HB VAL A 209 25.823 17.144 -1.683 1.00 52.32 H +ATOM 658 HG11 VAL A 209 27.241 15.561 -0.423 1.00 54.33 H +ATOM 659 HG12 VAL A 209 27.451 15.425 -2.170 1.00 60.51 H +ATOM 660 HG13 VAL A 209 28.664 16.257 -1.197 1.00 0.01 H +ATOM 661 HG21 VAL A 209 27.456 19.155 -0.484 1.00 54.32 H +ATOM 662 HG22 VAL A 209 25.957 18.445 0.113 1.00 22.20 H +ATOM 663 HG23 VAL A 209 27.505 17.703 0.513 1.00 24.41 H +ATOM 664 N ALA A 210 25.270 19.222 -3.016 1.00 21.15 N +ATOM 665 CA ALA A 210 24.365 20.345 -3.219 1.00 52.32 C +ATOM 666 C ALA A 210 23.131 20.224 -2.331 1.00 73.13 C +ATOM 667 O ALA A 210 22.285 19.356 -2.545 1.00 34.42 O +ATOM 668 CB ALA A 210 23.958 20.438 -4.682 1.00 51.11 C +ATOM 669 H ALA A 210 24.900 18.318 -2.936 1.00 21.01 H +ATOM 670 HA ALA A 210 24.894 21.252 -2.960 1.00 22.41 H +ATOM 671 HB1 ALA A 210 22.949 20.822 -4.751 1.00 24.52 H +ATOM 672 HB2 ALA A 210 24.632 21.102 -5.202 1.00 22.11 H +ATOM 673 HB3 ALA A 210 24.001 19.457 -5.130 1.00 12.24 H +ATOM 674 N ALA A 211 23.035 21.098 -1.335 1.00 52.51 N +ATOM 675 CA ALA A 211 21.904 21.089 -0.416 1.00 71.30 C +ATOM 676 C ALA A 211 20.823 22.066 -0.865 1.00 21.34 C +ATOM 677 O ALA A 211 21.121 23.182 -1.294 1.00 32.13 O +ATOM 678 CB ALA A 211 22.368 21.421 0.995 1.00 53.10 C +ATOM 679 H ALA A 211 23.741 21.767 -1.216 1.00 63.34 H +ATOM 680 HA ALA A 211 21.491 20.090 -0.406 1.00 71.21 H +ATOM 681 HB1 ALA A 211 22.231 20.559 1.631 1.00 15.01 H +ATOM 682 HB2 ALA A 211 23.412 21.693 0.975 1.00 22.04 H +ATOM 683 HB3 ALA A 211 21.788 22.248 1.378 1.00 33.02 H +ATOM 684 N LEU A 212 19.569 21.641 -0.763 1.00 13.45 N +ATOM 685 CA LEU A 212 18.442 22.480 -1.159 1.00 63.42 C +ATOM 686 C LEU A 212 18.492 22.786 -2.653 1.00 74.44 C +ATOM 687 O LEU A 212 19.300 23.597 -3.104 1.00 63.14 O +ATOM 688 CB LEU A 212 18.445 23.784 -0.360 1.00 24.54 C +ATOM 689 CG LEU A 212 17.142 24.584 -0.377 1.00 24.51 C +ATOM 690 CD1 LEU A 212 16.443 24.492 0.970 1.00 54.41 C +ATOM 691 CD2 LEU A 212 17.413 26.035 -0.742 1.00 51.44 C +ATOM 692 H LEU A 212 19.394 20.744 -0.412 1.00 23.32 H +ATOM 693 HA LEU A 212 17.534 21.937 -0.945 1.00 60.01 H +ATOM 694 HB2 LEU A 212 18.670 23.540 0.667 1.00 11.34 H +ATOM 695 HB3 LEU A 212 19.227 24.413 -0.759 1.00 14.32 H +ATOM 696 HG LEU A 212 16.481 24.167 -1.124 1.00 62.11 H +ATOM 697 HD11 LEU A 212 16.640 23.529 1.414 1.00 31.33 H +ATOM 698 HD12 LEU A 212 15.378 24.614 0.832 1.00 14.13 H +ATOM 699 HD13 LEU A 212 16.812 25.272 1.621 1.00 52.11 H +ATOM 700 HD21 LEU A 212 18.078 26.074 -1.592 1.00 51.23 H +ATOM 701 HD22 LEU A 212 17.870 26.539 0.096 1.00 22.42 H +ATOM 702 HD23 LEU A 212 16.481 26.523 -0.991 1.00 44.22 H +ATOM 703 N SER A 213 17.621 22.131 -3.415 1.00 51.33 N +ATOM 704 CA SER A 213 17.566 22.332 -4.859 1.00 0.23 C +ATOM 705 C SER A 213 17.339 23.803 -5.194 1.00 21.31 C +ATOM 706 O SER A 213 16.291 24.367 -4.879 1.00 72.15 O +ATOM 707 CB SER A 213 16.454 21.479 -5.472 1.00 23.14 C +ATOM 708 OG SER A 213 16.456 20.171 -4.927 1.00 33.12 O +ATOM 709 H SER A 213 17.002 21.498 -2.997 1.00 32.42 H +ATOM 710 HA SER A 213 18.515 22.024 -5.272 1.00 22.50 H +ATOM 711 HB2 SER A 213 15.498 21.939 -5.270 1.00 4.30 H +ATOM 712 HB3 SER A 213 16.604 21.412 -6.540 1.00 13.12 H +ATOM 713 HG SER A 213 15.577 19.792 -5.002 1.00 73.43 H +ATOM 714 N GLU A 214 18.328 24.417 -5.835 1.00 41.54 N +ATOM 715 CA GLU A 214 18.236 25.822 -6.214 1.00 3.24 C +ATOM 716 C GLU A 214 17.071 26.053 -7.172 1.00 64.41 C +ATOM 717 O GLU A 214 16.947 27.122 -7.768 1.00 70.25 O +ATOM 718 CB GLU A 214 19.543 26.286 -6.861 1.00 34.25 C +ATOM 719 CG GLU A 214 20.025 25.376 -7.977 1.00 65.35 C +ATOM 720 CD GLU A 214 21.330 24.681 -7.640 1.00 62.25 C +ATOM 721 OE1 GLU A 214 21.288 23.644 -6.946 1.00 54.24 O +ATOM 722 OE2 GLU A 214 22.394 25.174 -8.071 1.00 24.21 O +ATOM 723 H GLU A 214 19.139 23.914 -6.058 1.00 63.40 H +ATOM 724 HA GLU A 214 18.067 26.397 -5.316 1.00 54.52 H +ATOM 725 HB2 GLU A 214 19.398 27.276 -7.268 1.00 35.43 H +ATOM 726 HB3 GLU A 214 20.311 26.327 -6.102 1.00 52.51 H +ATOM 727 HG2 GLU A 214 19.273 24.624 -8.163 1.00 23.21 H +ATOM 728 HG3 GLU A 214 20.169 25.967 -8.869 1.00 65.14 H Added: SwiftApps/modFTdock/input/2e3v-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2e3v-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2e3v-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,779 @@ +ATOM 1 N SER A 8 47.020 5.324 30.622 1.00 42.74 N +ATOM 2 CA SER A 8 47.132 6.793 30.374 1.00 42.73 C +ATOM 3 C SER A 8 46.273 7.616 31.340 1.00 42.57 C +ATOM 4 O SER A 8 46.461 8.831 31.464 1.00 42.77 O +ATOM 5 CB SER A 8 46.766 7.124 28.923 1.00 42.82 C +ATOM 6 OG SER A 8 45.420 6.775 28.641 1.00 42.95 O +ATOM 7 N GLY A 9 45.337 6.950 32.019 1.00 42.23 N +ATOM 8 CA GLY A 9 44.452 7.608 32.981 1.00 41.71 C +ATOM 9 C GLY A 9 43.201 6.806 33.297 1.00 41.31 C +ATOM 10 O GLY A 9 42.955 5.769 32.677 1.00 41.45 O +ATOM 11 N PRO A 10 42.399 7.278 34.272 1.00 40.94 N +ATOM 12 CA PRO A 10 41.153 6.604 34.649 1.00 40.63 C +ATOM 13 C PRO A 10 40.046 6.876 33.636 1.00 40.48 C +ATOM 14 O PRO A 10 40.176 7.784 32.817 1.00 40.22 O +ATOM 15 CB PRO A 10 40.786 7.244 35.998 1.00 40.75 C +ATOM 16 CG PRO A 10 41.853 8.237 36.311 1.00 40.53 C +ATOM 17 CD PRO A 10 42.630 8.493 35.069 1.00 40.82 C +ATOM 18 N SER A 11 38.967 6.098 33.696 1.00 40.28 N +ATOM 19 CA SER A 11 37.840 6.292 32.785 1.00 40.44 C +ATOM 20 C SER A 11 37.170 7.646 33.028 1.00 40.18 C +ATOM 21 O SER A 11 37.337 8.259 34.096 1.00 39.65 O +ATOM 22 CB SER A 11 36.845 5.118 32.854 1.00 40.81 C +ATOM 23 OG SER A 11 36.439 4.845 34.181 1.00 42.50 O +ATOM 24 N SER A 12 36.446 8.136 32.030 1.00 39.67 N +ATOM 25 CA SER A 12 35.810 9.435 32.170 1.00 39.86 C +ATOM 26 C SER A 12 34.633 9.357 33.135 1.00 39.18 C +ATOM 27 O SER A 12 33.889 8.369 33.137 1.00 39.45 O +ATOM 28 CB SER A 12 35.363 9.982 30.814 1.00 39.99 C +ATOM 29 OG SER A 12 34.417 9.130 30.213 1.00 42.41 O +ATOM 30 N PRO A 13 34.498 10.372 34.004 1.00 38.74 N +ATOM 31 CA PRO A 13 33.327 10.455 34.862 1.00 38.23 C +ATOM 32 C PRO A 13 32.055 10.573 34.026 1.00 37.94 C +ATOM 33 O PRO A 13 32.108 10.913 32.833 1.00 37.61 O +ATOM 34 CB PRO A 13 33.556 11.759 35.632 1.00 38.10 C +ATOM 35 CG PRO A 13 35.025 11.975 35.602 1.00 38.73 C +ATOM 36 CD PRO A 13 35.459 11.458 34.270 1.00 38.28 C +ATOM 37 N SER A 14 30.928 10.287 34.654 1.00 36.99 N +ATOM 38 CA SER A 14 29.636 10.464 34.026 1.00 36.76 C +ATOM 39 C SER A 14 28.894 11.491 34.857 1.00 36.33 C +ATOM 40 O SER A 14 28.639 11.254 36.038 1.00 35.50 O +ATOM 41 CB SER A 14 28.871 9.134 33.998 1.00 36.88 C +ATOM 42 OG SER A 14 27.502 9.334 33.677 1.00 38.76 O +ATOM 43 N ILE A 15 28.562 12.632 34.252 1.00 36.08 N +ATOM 44 CA ILE A 15 27.805 13.674 34.956 1.00 35.72 C +ATOM 45 C ILE A 15 26.353 13.209 35.033 1.00 35.75 C +ATOM 46 O ILE A 15 25.751 12.867 34.011 1.00 35.02 O +ATOM 47 CB ILE A 15 27.939 15.061 34.283 1.00 35.98 C +ATOM 48 CG1 ILE A 15 29.404 15.512 34.335 1.00 35.00 C +ATOM 49 CG2 ILE A 15 27.021 16.098 34.978 1.00 35.91 C +ATOM 50 CD1 ILE A 15 29.731 16.736 33.483 1.00 36.12 C +ATOM 51 N ASP A 16 25.811 13.174 36.250 1.00 34.96 N +ATOM 52 CA ASP A 16 24.485 12.600 36.484 1.00 35.68 C +ATOM 53 C ASP A 16 23.427 13.576 36.944 1.00 35.44 C +ATOM 54 O ASP A 16 22.226 13.322 36.804 1.00 35.08 O +ATOM 55 CB ASP A 16 24.616 11.477 37.509 1.00 35.43 C +ATOM 56 CG ASP A 16 25.473 10.348 36.999 1.00 36.77 C +ATOM 57 OD1 ASP A 16 25.360 10.022 35.797 1.00 35.31 O +ATOM 58 OD2 ASP A 16 26.270 9.806 37.785 1.00 37.42 O +ATOM 59 N GLN A 17 23.880 14.671 37.533 1.00 35.57 N +ATOM 60 CA GLN A 17 22.984 15.686 38.042 1.00 36.22 C +ATOM 61 C GLN A 17 23.749 16.983 38.249 1.00 36.35 C +ATOM 62 O GLN A 17 24.841 16.989 38.830 1.00 36.68 O +ATOM 63 CB GLN A 17 22.364 15.232 39.363 1.00 35.78 C +ATOM 64 CG GLN A 17 21.394 16.236 39.966 1.00 36.61 C +ATOM 65 CD GLN A 17 20.783 15.766 41.261 1.00 36.56 C +ATOM 66 OE1 GLN A 17 21.111 14.691 41.779 1.00 36.45 O +ATOM 67 NE2 GLN A 17 19.875 16.573 41.800 1.00 37.20 N +ATOM 68 N VAL A 18 23.181 18.077 37.756 1.00 36.34 N +ATOM 69 CA VAL A 18 23.731 19.388 38.033 1.00 37.01 C +ATOM 70 C VAL A 18 22.667 20.197 38.746 1.00 37.05 C +ATOM 71 O VAL A 18 21.511 20.237 38.311 1.00 36.64 O +ATOM 72 CB VAL A 18 24.191 20.132 36.753 1.00 37.23 C +ATOM 73 CG1 VAL A 18 24.744 21.505 37.102 1.00 37.93 C +ATOM 74 CG2 VAL A 18 25.242 19.316 36.014 1.00 38.61 C +ATOM 75 N GLU A 19 23.060 20.809 39.861 1.00 36.93 N +ATOM 76 CA GLU A 19 22.194 21.731 40.559 1.00 37.05 C +ATOM 77 C GLU A 19 22.751 23.128 40.361 1.00 36.94 C +ATOM 78 O GLU A 19 23.751 23.490 40.984 1.00 36.84 O +ATOM 79 CB GLU A 19 22.036 21.375 42.049 1.00 37.38 C +ATOM 80 CG GLU A 19 21.262 20.075 42.271 1.00 38.66 C +ATOM 81 CD AGLU A 19 19.884 20.079 41.614 0.50 40.18 C +ATOM 82 CD BGLU A 19 20.407 20.112 43.529 0.50 38.92 C +ATOM 83 OE1AGLU A 19 19.129 21.059 41.803 0.50 41.26 O +ATOM 84 OE1BGLU A 19 20.872 20.621 44.575 0.50 38.70 O +ATOM 85 OE2AGLU A 19 19.555 19.100 40.907 0.50 40.21 O +ATOM 86 OE2BGLU A 19 19.258 19.629 43.466 0.50 39.61 O +ATOM 87 N PRO A 20 22.129 23.901 39.453 1.00 36.91 N +ATOM 88 CA PRO A 20 22.613 25.243 39.215 1.00 36.60 C +ATOM 89 C PRO A 20 21.990 26.276 40.150 1.00 36.65 C +ATOM 90 O PRO A 20 20.820 26.163 40.529 1.00 36.11 O +ATOM 91 CB PRO A 20 22.188 25.508 37.771 1.00 36.88 C +ATOM 92 CG PRO A 20 20.928 24.734 37.600 1.00 36.72 C +ATOM 93 CD PRO A 20 20.970 23.573 38.594 1.00 36.94 C +ATOM 94 N TYR A 21 22.796 27.256 40.536 1.00 36.43 N +ATOM 95 CA TYR A 21 22.325 28.392 41.305 1.00 36.64 C +ATOM 96 C TYR A 21 22.564 29.602 40.418 1.00 36.16 C +ATOM 97 O TYR A 21 22.623 29.437 39.205 1.00 36.00 O +ATOM 98 CB TYR A 21 23.014 28.440 42.665 1.00 37.53 C +ATOM 99 CG TYR A 21 22.694 27.181 43.438 1.00 38.16 C +ATOM 100 CD1 TYR A 21 21.504 27.070 44.151 1.00 38.92 C +ATOM 101 CD2 TYR A 21 23.550 26.080 43.402 1.00 38.82 C +ATOM 102 CE1 TYR A 21 21.185 25.904 44.840 1.00 39.78 C +ATOM 103 CE2 TYR A 21 23.241 24.907 44.085 1.00 39.85 C +ATOM 104 CZ TYR A 21 22.056 24.831 44.806 1.00 40.00 C +ATOM 105 OH TYR A 21 21.737 23.683 45.499 1.00 40.86 O +ATOM 106 N SER A 22 22.679 30.803 40.971 1.00 35.94 N +ATOM 107 CA SER A 22 22.831 31.976 40.109 1.00 35.83 C +ATOM 108 C SER A 22 24.261 32.195 39.582 1.00 35.65 C +ATOM 109 O SER A 22 24.438 32.565 38.424 1.00 35.44 O +ATOM 110 CB SER A 22 22.244 33.240 40.753 1.00 35.89 C +ATOM 111 OG SER A 22 22.839 33.529 42.004 1.00 37.44 O +ATOM 112 N SER A 23 25.270 31.961 40.414 1.00 35.25 N +ATOM 113 CA SER A 23 26.659 32.158 39.990 1.00 35.24 C +ATOM 114 C SER A 23 27.508 30.907 40.208 1.00 35.12 C +ATOM 115 O SER A 23 28.729 30.914 39.996 1.00 34.62 O +ATOM 116 CB SER A 23 27.282 33.370 40.704 1.00 35.29 C +ATOM 117 OG SER A 23 27.523 33.096 42.076 1.00 35.88 O +ATOM 118 N THR A 24 26.852 29.834 40.636 1.00 35.13 N +ATOM 119 CA THR A 24 27.533 28.587 40.932 1.00 35.53 C +ATOM 120 C THR A 24 26.703 27.412 40.439 1.00 35.65 C +ATOM 121 O THR A 24 25.500 27.551 40.180 1.00 35.53 O +ATOM 122 CB THR A 24 27.789 28.391 42.454 1.00 35.50 C +ATOM 123 OG1 THR A 24 26.540 28.257 43.140 1.00 36.78 O +ATOM 124 CG2 THR A 24 28.596 29.536 43.065 1.00 36.85 C +ATOM 125 N ALA A 25 27.361 26.263 40.295 1.00 35.78 N +ATOM 126 CA ALA A 25 26.695 25.029 39.914 1.00 36.40 C +ATOM 127 C ALA A 25 27.369 23.846 40.590 1.00 36.64 C +ATOM 128 O ALA A 25 28.599 23.723 40.590 1.00 36.88 O +ATOM 129 CB ALA A 25 26.709 24.848 38.413 1.00 36.07 C +ATOM 130 N GLN A 26 26.555 22.986 41.176 1.00 36.89 N +ATOM 131 CA GLN A 26 27.067 21.778 41.799 1.00 37.45 C +ATOM 132 C GLN A 26 26.907 20.673 40.785 1.00 37.36 C +ATOM 133 O GLN A 26 25.793 20.402 40.327 1.00 38.30 O +ATOM 134 CB GLN A 26 26.314 21.472 43.085 1.00 37.48 C +ATOM 135 CG GLN A 26 26.627 22.447 44.222 1.00 40.83 C +ATOM 136 CD GLN A 26 25.949 22.030 45.500 1.00 44.53 C +ATOM 137 OE1 GLN A 26 24.748 21.743 45.514 1.00 46.35 O +ATOM 138 NE2 GLN A 26 26.715 21.968 46.585 1.00 46.73 N +ATOM 139 N VAL A 27 28.024 20.060 40.409 1.00 37.05 N +ATOM 140 CA VAL A 27 28.023 19.035 39.373 1.00 36.82 C +ATOM 141 C VAL A 27 28.316 17.684 40.002 1.00 36.58 C +ATOM 142 O VAL A 27 29.414 17.471 40.531 1.00 36.53 O +ATOM 143 CB VAL A 27 29.085 19.323 38.282 1.00 36.67 C +ATOM 144 CG1 VAL A 27 29.096 18.202 37.240 1.00 37.87 C +ATOM 145 CG2 VAL A 27 28.821 20.688 37.616 1.00 37.46 C +ATOM 146 N GLN A 28 27.328 16.792 39.956 1.00 36.25 N +ATOM 147 CA GLN A 28 27.484 15.442 40.477 1.00 35.71 C +ATOM 148 C GLN A 28 27.717 14.443 39.376 1.00 35.86 C +ATOM 149 O GLN A 28 27.052 14.462 38.337 1.00 35.00 O +ATOM 150 CB GLN A 28 26.304 15.009 41.334 1.00 36.11 C +ATOM 151 CG GLN A 28 26.432 15.449 42.785 1.00 35.89 C +ATOM 152 CD GLN A 28 25.300 14.928 43.634 1.00 35.67 C +ATOM 153 OE1 GLN A 28 25.524 14.245 44.644 1.00 36.88 O +ATOM 154 NE2 GLN A 28 24.072 15.201 43.209 1.00 33.43 N +ATOM 155 N PHE A 29 28.648 13.539 39.642 1.00 35.79 N +ATOM 156 CA PHE A 29 29.074 12.575 38.660 1.00 36.16 C +ATOM 157 C PHE A 29 29.338 11.242 39.332 1.00 36.76 C +ATOM 158 O PHE A 29 29.426 11.143 40.566 1.00 36.19 O +ATOM 159 CB PHE A 29 30.378 13.069 38.007 1.00 36.43 C +ATOM 160 CG PHE A 29 31.517 13.227 38.989 1.00 36.42 C +ATOM 161 CD1 PHE A 29 32.371 12.162 39.266 1.00 36.61 C +ATOM 162 CD2 PHE A 29 31.718 14.434 39.650 1.00 37.11 C +ATOM 163 CE1 PHE A 29 33.412 12.311 40.190 1.00 36.72 C +ATOM 164 CE2 PHE A 29 32.755 14.585 40.574 1.00 38.28 C +ATOM 165 CZ PHE A 29 33.600 13.524 40.839 1.00 37.00 C +ATOM 166 N ASP A 30 29.452 10.210 38.513 1.00 37.32 N +ATOM 167 CA ASP A 30 29.874 8.929 39.014 1.00 38.30 C +ATOM 168 C ASP A 30 31.185 8.609 38.333 1.00 39.32 C +ATOM 169 O ASP A 30 31.449 9.058 37.215 1.00 38.30 O +ATOM 170 CB ASP A 30 28.815 7.836 38.788 1.00 37.41 C +ATOM 171 CG ASP A 30 28.599 7.497 37.323 1.00 38.19 C +ATOM 172 OD1 ASP A 30 27.628 8.014 36.742 1.00 37.82 O +ATOM 173 OD2 ASP A 30 29.380 6.700 36.758 1.00 37.17 O +ATOM 174 N GLU A 31 31.997 7.825 39.025 1.00 40.95 N +ATOM 175 CA GLU A 31 33.289 7.392 38.533 1.00 42.82 C +ATOM 176 C GLU A 31 33.548 6.020 39.151 1.00 43.63 C +ATOM 177 O GLU A 31 33.265 5.834 40.335 1.00 43.81 O +ATOM 178 CB GLU A 31 34.348 8.401 38.981 1.00 42.82 C +ATOM 179 CG GLU A 31 35.784 8.058 38.632 1.00 44.59 C +ATOM 180 CD GLU A 31 36.094 8.172 37.157 1.00 47.12 C +ATOM 181 OE1 GLU A 31 35.257 8.708 36.407 1.00 48.93 O +ATOM 182 OE2 GLU A 31 37.181 7.718 36.741 1.00 48.29 O +ATOM 183 N PRO A 32 34.075 5.054 38.368 1.00 44.75 N +ATOM 184 CA PRO A 32 34.317 3.728 38.953 1.00 45.73 C +ATOM 185 C PRO A 32 35.216 3.756 40.191 1.00 46.79 C +ATOM 186 O PRO A 32 36.102 4.617 40.308 1.00 46.32 O +ATOM 187 CB PRO A 32 34.996 2.967 37.813 1.00 45.70 C +ATOM 188 CG PRO A 32 34.468 3.621 36.585 1.00 45.77 C +ATOM 189 CD PRO A 32 34.454 5.079 36.944 1.00 44.60 C +ATOM 190 N GLU A 33 34.959 2.833 41.117 1.00 47.89 N +ATOM 191 CA GLU A 33 35.745 2.725 42.347 1.00 49.30 C +ATOM 192 C GLU A 33 37.173 2.302 42.011 1.00 50.03 C +ATOM 193 O GLU A 33 37.385 1.445 41.146 1.00 50.28 O +ATOM 194 CB GLU A 33 35.110 1.732 43.338 1.00 49.25 C +ATOM 195 CG GLU A 33 33.661 2.059 43.769 1.00 50.05 C +ATOM 196 CD GLU A 33 33.510 3.390 44.512 1.00 51.34 C +ATOM 197 OE1 GLU A 33 34.522 3.913 45.031 1.00 52.78 O +ATOM 198 OE2 GLU A 33 32.373 3.916 44.581 1.00 49.47 O +ATOM 199 N ALA A 34 38.140 2.921 42.687 1.00 51.00 N +ATOM 200 CA ALA A 34 39.563 2.641 42.478 1.00 51.88 C +ATOM 201 C ALA A 34 39.878 1.167 42.721 1.00 52.38 C +ATOM 202 O ALA A 34 39.373 0.562 43.672 1.00 52.63 O +ATOM 203 CB ALA A 34 40.420 3.529 43.376 1.00 51.88 C +ATOM 204 N THR A 35 40.694 0.595 41.839 1.00 52.83 N +ATOM 205 CA THR A 35 41.070 -0.817 41.918 1.00 53.25 C +ATOM 206 C THR A 35 42.565 -1.005 41.676 1.00 53.39 C +ATOM 207 O THR A 35 43.225 -0.132 41.111 1.00 53.49 O +ATOM 208 CB THR A 35 40.276 -1.681 40.906 1.00 53.40 C +ATOM 209 OG1 THR A 35 40.233 -1.014 39.636 1.00 53.85 O +ATOM 210 CG2 THR A 35 38.846 -1.927 41.395 1.00 53.42 C +ATOM 211 N VAL A 38 45.783 2.016 42.722 1.00 44.31 N +ATOM 212 CA VAL A 38 45.830 3.215 41.886 1.00 44.02 C +ATOM 213 C VAL A 38 44.574 4.099 42.064 1.00 43.75 C +ATOM 214 O VAL A 38 43.637 4.056 41.256 1.00 43.88 O +ATOM 215 CB VAL A 38 46.147 2.874 40.388 1.00 44.29 C +ATOM 216 CG1 VAL A 38 45.096 1.937 39.780 1.00 44.84 C +ATOM 217 CG2 VAL A 38 46.319 4.141 39.552 1.00 43.85 C +ATOM 218 N PRO A 39 44.561 4.918 43.131 1.00 43.12 N +ATOM 219 CA PRO A 39 43.393 5.754 43.377 1.00 42.31 C +ATOM 220 C PRO A 39 43.326 6.959 42.443 1.00 41.27 C +ATOM 221 O PRO A 39 44.340 7.371 41.877 1.00 41.03 O +ATOM 222 CB PRO A 39 43.604 6.219 44.820 1.00 42.47 C +ATOM 223 CG PRO A 39 45.092 6.278 44.970 1.00 42.80 C +ATOM 224 CD PRO A 39 45.612 5.122 44.149 1.00 43.31 C +ATOM 225 N ILE A 40 42.128 7.500 42.268 1.00 40.05 N +ATOM 226 CA ILE A 40 41.974 8.754 41.535 1.00 38.99 C +ATOM 227 C ILE A 40 42.523 9.846 42.444 1.00 37.92 C +ATOM 228 O ILE A 40 42.215 9.876 43.634 1.00 37.76 O +ATOM 229 CB ILE A 40 40.504 9.007 41.161 1.00 39.25 C +ATOM 230 CG1 ILE A 40 40.046 7.915 40.190 1.00 39.61 C +ATOM 231 CG2 ILE A 40 40.317 10.402 40.555 1.00 38.12 C +ATOM 232 CD1 ILE A 40 38.619 8.005 39.807 1.00 42.09 C +ATOM 233 N LEU A 41 43.358 10.719 41.891 1.00 37.00 N +ATOM 234 CA LEU A 41 43.999 11.759 42.690 1.00 36.05 C +ATOM 235 C LEU A 41 43.244 13.078 42.646 1.00 35.42 C +ATOM 236 O LEU A 41 43.035 13.712 43.676 1.00 34.87 O +ATOM 237 CB LEU A 41 45.453 11.961 42.245 1.00 36.64 C +ATOM 238 CG LEU A 41 46.350 10.715 42.302 1.00 36.79 C +ATOM 239 CD1 LEU A 41 47.743 11.076 41.815 1.00 37.26 C +ATOM 240 CD2 LEU A 41 46.411 10.115 43.701 1.00 37.73 C +ATOM 241 N LYS A 42 42.826 13.475 41.448 1.00 34.92 N +ATOM 242 CA LYS A 42 42.151 14.741 41.243 1.00 34.82 C +ATOM 243 C LYS A 42 41.111 14.631 40.138 1.00 35.01 C +ATOM 244 O LYS A 42 41.093 13.655 39.389 1.00 34.51 O +ATOM 245 CB LYS A 42 43.168 15.809 40.810 1.00 34.41 C +ATOM 246 CG LYS A 42 44.398 15.972 41.703 1.00 34.94 C +ATOM 247 CD LYS A 42 44.054 16.601 43.038 1.00 33.86 C +ATOM 248 CE LYS A 42 45.290 16.682 43.921 1.00 34.46 C +ATOM 249 NZ LYS A 42 44.982 17.362 45.207 1.00 34.44 N +ATOM 250 N TYR A 43 40.263 15.653 40.042 1.00 35.13 N +ATOM 251 CA TYR A 43 39.335 15.802 38.924 1.00 35.64 C +ATOM 252 C TYR A 43 39.572 17.169 38.322 1.00 35.35 C +ATOM 253 O TYR A 43 39.952 18.107 39.025 1.00 35.25 O +ATOM 254 CB TYR A 43 37.869 15.705 39.363 1.00 35.68 C +ATOM 255 CG TYR A 43 37.489 14.343 39.866 1.00 36.42 C +ATOM 256 CD1 TYR A 43 37.110 13.337 38.976 1.00 36.00 C +ATOM 257 CD2 TYR A 43 37.511 14.055 41.224 1.00 36.58 C +ATOM 258 CE1 TYR A 43 36.766 12.072 39.434 1.00 37.25 C +ATOM 259 CE2 TYR A 43 37.172 12.795 41.692 1.00 37.34 C +ATOM 260 CZ TYR A 43 36.801 11.814 40.789 1.00 37.40 C +ATOM 261 OH TYR A 43 36.462 10.572 41.239 1.00 37.96 O +ATOM 262 N LYS A 44 39.366 17.264 37.017 1.00 35.53 N +ATOM 263 CA LYS A 44 39.448 18.534 36.322 1.00 35.84 C +ATOM 264 C LYS A 44 38.113 18.752 35.634 1.00 36.33 C +ATOM 265 O LYS A 44 37.663 17.915 34.838 1.00 36.91 O +ATOM 266 CB LYS A 44 40.595 18.548 35.315 1.00 36.23 C +ATOM 267 CG LYS A 44 40.812 19.929 34.667 1.00 35.57 C +ATOM 268 CD LYS A 44 42.002 19.930 33.735 1.00 37.37 C +ATOM 269 CE LYS A 44 42.280 21.334 33.238 1.00 38.27 C +ATOM 270 NZ LYS A 44 43.462 21.433 32.315 1.00 40.54 N +ATOM 271 N ALA A 45 37.463 19.851 35.991 1.00 36.02 N +ATOM 272 CA ALA A 45 36.214 20.252 35.373 1.00 35.76 C +ATOM 273 C ALA A 45 36.492 21.329 34.336 1.00 35.76 C +ATOM 274 O ALA A 45 37.399 22.152 34.505 1.00 34.70 O +ATOM 275 CB ALA A 45 35.261 20.782 36.413 1.00 36.36 C +ATOM 276 N GLU A 46 35.721 21.309 33.255 1.00 35.62 N +ATOM 277 CA GLU A 46 35.784 22.357 32.237 1.00 36.41 C +ATOM 278 C GLU A 46 34.361 22.790 31.942 1.00 35.52 C +ATOM 279 O GLU A 46 33.455 21.967 31.929 1.00 34.98 O +ATOM 280 CB GLU A 46 36.458 21.855 30.959 1.00 36.31 C +ATOM 281 CG GLU A 46 37.938 21.533 31.129 1.00 39.13 C +ATOM 282 CD GLU A 46 38.584 21.016 29.854 1.00 39.61 C +ATOM 283 OE1 GLU A 46 39.691 21.477 29.520 1.00 44.80 O +ATOM 284 OE2 GLU A 46 37.990 20.148 29.181 1.00 44.95 O +ATOM 285 N TRP A 47 34.158 24.083 31.724 1.00 34.76 N +ATOM 286 CA TRP A 47 32.826 24.591 31.422 1.00 34.30 C +ATOM 287 C TRP A 47 32.946 25.760 30.451 1.00 34.01 C +ATOM 288 O TRP A 47 34.000 26.390 30.342 1.00 33.68 O +ATOM 289 CB TRP A 47 32.065 24.987 32.699 1.00 34.42 C +ATOM 290 CG TRP A 47 32.741 26.087 33.471 1.00 34.16 C +ATOM 291 CD1 TRP A 47 32.459 27.427 33.423 1.00 35.02 C +ATOM 292 CD2 TRP A 47 33.841 25.938 34.374 1.00 34.62 C +ATOM 293 NE1 TRP A 47 33.314 28.117 34.254 1.00 34.83 N +ATOM 294 CE2 TRP A 47 34.169 27.225 34.849 1.00 35.80 C +ATOM 295 CE3 TRP A 47 34.582 24.834 34.832 1.00 35.44 C +ATOM 296 CZ2 TRP A 47 35.209 27.444 35.762 1.00 35.47 C +ATOM 297 CZ3 TRP A 47 35.610 25.053 35.743 1.00 35.65 C +ATOM 298 CH2 TRP A 47 35.913 26.349 36.195 1.00 34.47 C +ATOM 299 N ARG A 48 31.867 26.025 29.735 1.00 33.62 N +ATOM 300 CA ARG A 48 31.867 27.069 28.738 1.00 33.73 C +ATOM 301 C ARG A 48 30.452 27.521 28.455 1.00 33.79 C +ATOM 302 O ARG A 48 29.558 26.696 28.217 1.00 33.52 O +ATOM 303 CB ARG A 48 32.521 26.551 27.461 1.00 33.56 C +ATOM 304 CG ARG A 48 32.637 27.571 26.370 1.00 33.31 C +ATOM 305 CD ARG A 48 33.289 26.948 25.158 1.00 34.14 C +ATOM 306 NE ARG A 48 32.431 25.936 24.538 1.00 33.41 N +ATOM 307 CZ ARG A 48 32.751 25.260 23.438 1.00 34.09 C +ATOM 308 NH1 ARG A 48 33.915 25.479 22.834 1.00 32.57 N +ATOM 309 NH2 ARG A 48 31.903 24.370 22.940 1.00 34.54 N +ATOM 310 N ALA A 49 30.263 28.835 28.481 1.00 34.17 N +ATOM 311 CA ALA A 49 28.970 29.444 28.225 1.00 34.83 C +ATOM 312 C ALA A 49 28.594 29.386 26.757 1.00 35.53 C +ATOM 313 O ALA A 49 29.461 29.358 25.868 1.00 35.64 O +ATOM 314 CB ALA A 49 28.962 30.897 28.695 1.00 34.93 C +ATOM 315 N VAL A 50 27.288 29.365 26.524 1.00 36.08 N +ATOM 316 CA VAL A 50 26.725 29.575 25.206 1.00 36.99 C +ATOM 317 C VAL A 50 27.335 30.867 24.653 1.00 37.66 C +ATOM 318 O VAL A 50 27.342 31.902 25.330 1.00 37.84 O +ATOM 319 CB VAL A 50 25.182 29.691 25.307 1.00 36.77 C +ATOM 320 CG1 VAL A 50 24.601 30.558 24.207 1.00 37.55 C +ATOM 321 CG2 VAL A 50 24.545 28.312 25.325 1.00 36.26 C +ATOM 322 N GLY A 51 27.879 30.784 23.443 1.00 38.47 N +ATOM 323 CA GLY A 51 28.491 31.936 22.789 1.00 39.14 C +ATOM 324 C GLY A 51 30.001 32.028 22.933 1.00 39.61 C +ATOM 325 O GLY A 51 30.628 32.875 22.301 1.00 39.67 O +ATOM 326 N GLU A 52 30.589 31.168 23.762 1.00 39.82 N +ATOM 327 CA GLU A 52 32.041 31.183 23.972 1.00 40.34 C +ATOM 328 C GLU A 52 32.738 30.043 23.220 1.00 39.87 C +ATOM 329 O GLU A 52 32.099 29.060 22.837 1.00 39.91 O +ATOM 330 CB GLU A 52 32.386 31.128 25.469 1.00 40.70 C +ATOM 331 CG GLU A 52 31.847 32.296 26.313 1.00 42.93 C +ATOM 332 CD GLU A 52 32.525 33.633 26.029 1.00 47.38 C +ATOM 333 OE1 GLU A 52 33.728 33.653 25.675 1.00 48.40 O +ATOM 334 OE2 GLU A 52 31.846 34.676 26.174 1.00 49.15 O +ATOM 335 N GLU A 53 34.042 30.198 22.997 1.00 39.42 N +ATOM 336 CA GLU A 53 34.857 29.175 22.341 1.00 39.22 C +ATOM 337 C GLU A 53 35.816 28.513 23.325 1.00 39.01 C +ATOM 338 O GLU A 53 36.067 27.310 23.245 1.00 39.08 O +ATOM 339 CB GLU A 53 35.653 29.758 21.165 1.00 39.76 C +ATOM 340 CG GLU A 53 34.816 30.232 19.969 1.00 40.43 C +ATOM 341 CD GLU A 53 34.030 29.115 19.284 1.00 41.74 C +ATOM 342 OE1 GLU A 53 33.069 29.436 18.551 1.00 43.34 O +ATOM 343 OE2 GLU A 53 34.363 27.923 19.464 1.00 42.45 O +ATOM 344 N VAL A 54 36.332 29.300 24.263 1.00 38.59 N +ATOM 345 CA VAL A 54 37.302 28.812 25.234 1.00 38.54 C +ATOM 346 C VAL A 54 36.616 28.202 26.461 1.00 37.93 C +ATOM 347 O VAL A 54 35.639 28.746 26.988 1.00 38.09 O +ATOM 348 CB VAL A 54 38.299 29.928 25.651 1.00 38.24 C +ATOM 349 CG1 VAL A 54 39.334 29.406 26.656 1.00 39.02 C +ATOM 350 CG2 VAL A 54 39.008 30.501 24.425 1.00 39.47 C +ATOM 351 N TRP A 55 37.126 27.055 26.891 1.00 37.62 N +ATOM 352 CA TRP A 55 36.646 26.396 28.092 1.00 36.85 C +ATOM 353 C TRP A 55 37.406 26.910 29.309 1.00 36.71 C +ATOM 354 O TRP A 55 38.634 27.025 29.278 1.00 36.57 O +ATOM 355 CB TRP A 55 36.860 24.882 27.993 1.00 37.05 C +ATOM 356 CG TRP A 55 36.048 24.227 26.942 1.00 36.36 C +ATOM 357 CD1 TRP A 55 36.308 24.199 25.604 1.00 37.05 C +ATOM 358 CD2 TRP A 55 34.846 23.482 27.135 1.00 36.68 C +ATOM 359 NE1 TRP A 55 35.331 23.495 24.949 1.00 36.65 N +ATOM 360 CE2 TRP A 55 34.421 23.041 25.864 1.00 36.41 C +ATOM 361 CE3 TRP A 55 34.078 23.150 28.260 1.00 35.82 C +ATOM 362 CZ2 TRP A 55 33.266 22.276 25.681 1.00 37.16 C +ATOM 363 CZ3 TRP A 55 32.926 22.389 28.079 1.00 37.08 C +ATOM 364 CH2 TRP A 55 32.533 21.962 26.795 1.00 36.45 C +ATOM 365 N HIS A 56 36.678 27.215 30.376 1.00 36.32 N +ATOM 366 CA HIS A 56 37.309 27.520 31.649 1.00 36.30 C +ATOM 367 C HIS A 56 37.555 26.160 32.306 1.00 35.99 C +ATOM 368 O HIS A 56 36.932 25.170 31.929 1.00 35.51 O +ATOM 369 CB HIS A 56 36.402 28.378 32.530 1.00 36.72 C +ATOM 370 CG HIS A 56 36.115 29.740 31.975 1.00 38.98 C +ATOM 371 ND1 HIS A 56 37.089 30.700 31.821 1.00 42.15 N +ATOM 372 CD2 HIS A 56 34.956 30.311 31.570 1.00 41.46 C +ATOM 373 CE1 HIS A 56 36.551 31.799 31.319 1.00 44.04 C +ATOM 374 NE2 HIS A 56 35.255 31.591 31.164 1.00 44.17 N +ATOM 375 N SER A 57 38.461 26.097 33.274 1.00 35.13 N +ATOM 376 CA SER A 57 38.722 24.832 33.955 1.00 34.94 C +ATOM 377 C SER A 57 39.095 25.077 35.400 1.00 34.61 C +ATOM 378 O SER A 57 39.525 26.164 35.760 1.00 33.85 O +ATOM 379 CB SER A 57 39.866 24.085 33.282 1.00 34.78 C +ATOM 380 OG SER A 57 41.058 24.825 33.425 1.00 35.60 O +ATOM 381 N LYS A 58 38.936 24.051 36.219 1.00 34.32 N +ATOM 382 CA LYS A 58 39.333 24.130 37.613 1.00 34.20 C +ATOM 383 C LYS A 58 39.646 22.716 38.079 1.00 33.94 C +ATOM 384 O LYS A 58 39.033 21.744 37.614 1.00 34.12 O +ATOM 385 CB LYS A 58 38.227 24.757 38.469 1.00 34.16 C +ATOM 386 CG LYS A 58 38.598 24.913 39.934 1.00 34.57 C +ATOM 387 CD LYS A 58 37.578 25.734 40.688 1.00 36.10 C +ATOM 388 CE LYS A 58 38.003 25.899 42.126 1.00 36.97 C +ATOM 389 NZ LYS A 58 37.150 26.887 42.843 1.00 38.34 N +ATOM 390 N TRP A 59 40.630 22.607 38.965 1.00 33.73 N +ATOM 391 CA TRP A 59 41.005 21.318 39.532 1.00 33.62 C +ATOM 392 C TRP A 59 40.357 21.120 40.894 1.00 33.15 C +ATOM 393 O TRP A 59 40.121 22.086 41.638 1.00 32.34 O +ATOM 394 CB TRP A 59 42.523 21.233 39.666 1.00 33.89 C +ATOM 395 CG TRP A 59 43.233 21.046 38.371 1.00 34.34 C +ATOM 396 CD1 TRP A 59 43.661 22.025 37.514 1.00 35.18 C +ATOM 397 CD2 TRP A 59 43.620 19.800 37.786 1.00 34.45 C +ATOM 398 NE1 TRP A 59 44.294 21.460 36.429 1.00 34.68 N +ATOM 399 CE2 TRP A 59 44.281 20.096 36.571 1.00 35.35 C +ATOM 400 CE3 TRP A 59 43.467 18.452 38.171 1.00 34.80 C +ATOM 401 CZ2 TRP A 59 44.795 19.097 35.734 1.00 34.47 C +ATOM 402 CZ3 TRP A 59 43.981 17.465 37.340 1.00 34.86 C +ATOM 403 CH2 TRP A 59 44.640 17.795 36.137 1.00 34.77 C +ATOM 404 N TYR A 60 40.125 19.855 41.232 1.00 32.75 N +ATOM 405 CA TYR A 60 39.457 19.476 42.462 1.00 33.22 C +ATOM 406 C TYR A 60 40.120 18.242 43.035 1.00 33.74 C +ATOM 407 O TYR A 60 40.450 17.315 42.300 1.00 32.95 O +ATOM 408 CB TYR A 60 37.983 19.130 42.180 1.00 33.36 C +ATOM 409 CG TYR A 60 37.197 20.276 41.599 1.00 33.67 C +ATOM 410 CD1 TYR A 60 36.514 21.167 42.434 1.00 34.10 C +ATOM 411 CD2 TYR A 60 37.162 20.493 40.221 1.00 34.97 C +ATOM 412 CE1 TYR A 60 35.804 22.226 41.906 1.00 35.80 C +ATOM 413 CE2 TYR A 60 36.467 21.561 39.683 1.00 34.45 C +ATOM 414 CZ TYR A 60 35.785 22.423 40.530 1.00 33.88 C +ATOM 415 OH TYR A 60 35.076 23.476 40.001 1.00 34.59 O +ATOM 416 N ASP A 61 40.308 18.242 44.349 1.00 33.97 N +ATOM 417 CA ASP A 61 40.881 17.110 45.026 1.00 35.18 C +ATOM 418 C ASP A 61 39.884 15.955 44.979 1.00 35.25 C +ATOM 419 O ASP A 61 38.689 16.159 45.218 1.00 35.47 O +ATOM 420 CB ASP A 61 41.203 17.450 46.472 1.00 35.03 C +ATOM 421 CG ASP A 61 41.842 16.293 47.190 1.00 36.68 C +ATOM 422 OD1 ASP A 61 42.975 15.911 46.809 1.00 38.35 O +ATOM 423 OD2 ASP A 61 41.203 15.762 48.122 1.00 36.33 O +ATOM 424 N ALA A 62 40.369 14.758 44.656 1.00 35.80 N +ATOM 425 CA ALA A 62 39.479 13.592 44.542 1.00 36.41 C +ATOM 426 C ALA A 62 38.884 13.181 45.883 1.00 37.05 C +ATOM 427 O ALA A 62 37.707 12.845 45.957 1.00 37.06 O +ATOM 428 CB ALA A 62 40.186 12.403 43.895 1.00 36.45 C +ATOM 429 N LYS A 63 39.689 13.206 46.939 1.00 37.53 N +ATOM 430 CA LYS A 63 39.204 12.778 48.255 1.00 38.17 C +ATOM 431 C LYS A 63 38.005 13.639 48.657 1.00 37.98 C +ATOM 432 O LYS A 63 36.959 13.128 49.044 1.00 37.75 O +ATOM 433 CB LYS A 63 40.317 12.866 49.307 1.00 38.57 C +ATOM 434 CG LYS A 63 40.039 12.078 50.563 1.00 41.55 C +ATOM 435 CD LYS A 63 41.026 12.421 51.665 1.00 45.07 C +ATOM 436 CE LYS A 63 41.168 11.268 52.647 1.00 47.37 C +ATOM 437 NZ LYS A 63 39.858 10.711 53.090 1.00 49.87 N +ATOM 438 N GLU A 64 38.150 14.952 48.524 1.00 38.14 N +ATOM 439 CA GLU A 64 37.063 15.868 48.843 1.00 38.46 C +ATOM 440 C GLU A 64 35.838 15.679 47.950 1.00 37.72 C +ATOM 441 O GLU A 64 34.701 15.736 48.426 1.00 38.18 O +ATOM 442 CB GLU A 64 37.548 17.312 48.770 1.00 39.37 C +ATOM 443 CG GLU A 64 36.411 18.318 48.779 1.00 42.76 C +ATOM 444 CD GLU A 64 36.808 19.638 49.374 1.00 46.15 C +ATOM 445 OE1 GLU A 64 37.525 19.636 50.397 1.00 50.82 O +ATOM 446 OE2 GLU A 64 36.370 20.668 48.840 1.00 45.99 O +ATOM 447 N ALA A 65 36.067 15.470 46.657 1.00 36.59 N +ATOM 448 CA ALA A 65 34.974 15.277 45.716 1.00 36.35 C +ATOM 449 C ALA A 65 34.268 13.941 45.925 1.00 36.09 C +ATOM 450 O ALA A 65 33.108 13.807 45.563 1.00 35.40 O +ATOM 451 CB ALA A 65 35.481 15.354 44.279 1.00 35.79 C +ATOM 452 N SER A 66 34.963 12.977 46.528 1.00 36.01 N +ATOM 453 CA SER A 66 34.474 11.597 46.597 1.00 36.42 C +ATOM 454 C SER A 66 33.279 11.372 47.527 1.00 36.38 C +ATOM 455 O SER A 66 32.516 10.429 47.321 1.00 35.52 O +ATOM 456 CB SER A 66 35.610 10.623 46.935 1.00 36.34 C +ATOM 457 OG SER A 66 35.980 10.710 48.307 1.00 38.23 O +ATOM 466 N GLU A 68 30.523 13.025 47.849 1.00 34.91 N +ATOM 467 CA GLU A 68 29.277 13.179 47.126 1.00 34.57 C +ATOM 468 C GLU A 68 29.428 13.066 45.613 1.00 34.46 C +ATOM 469 O GLU A 68 28.448 13.230 44.885 1.00 34.46 O +ATOM 470 CB GLU A 68 28.605 14.488 47.516 1.00 33.96 C +ATOM 471 CG GLU A 68 28.138 14.495 48.962 1.00 35.10 C +ATOM 472 CD GLU A 68 27.269 15.675 49.255 1.00 37.29 C +ATOM 473 OE1 GLU A 68 27.805 16.797 49.321 1.00 39.84 O +ATOM 474 OE2 GLU A 68 26.049 15.484 49.400 1.00 36.82 O +ATOM 475 N GLY A 69 30.641 12.748 45.159 1.00 34.09 N +ATOM 476 CA GLY A 69 30.947 12.667 43.733 1.00 34.84 C +ATOM 477 C GLY A 69 30.587 14.017 43.149 1.00 35.41 C +ATOM 478 O GLY A 69 29.807 14.113 42.204 1.00 35.36 O +ATOM 479 N ILE A 70 31.154 15.068 43.725 1.00 35.72 N +ATOM 480 CA ILE A 70 30.698 16.406 43.409 1.00 36.76 C +ATOM 481 C ILE A 70 31.835 17.396 43.229 1.00 36.44 C +ATOM 482 O ILE A 70 32.844 17.334 43.935 1.00 35.65 O +ATOM 483 CB ILE A 70 29.729 16.896 44.527 1.00 36.59 C +ATOM 484 CG1 ILE A 70 28.846 18.061 44.082 1.00 38.59 C +ATOM 485 CG2 ILE A 70 30.479 17.253 45.828 1.00 37.93 C +ATOM 486 CD1 ILE A 70 27.591 18.183 44.988 1.00 38.51 C +ATOM 487 N VAL A 71 31.667 18.284 42.253 1.00 36.58 N +ATOM 488 CA VAL A 71 32.530 19.459 42.130 1.00 37.08 C +ATOM 489 C VAL A 71 31.629 20.686 41.968 1.00 37.13 C +ATOM 490 O VAL A 71 30.571 20.616 41.349 1.00 37.43 O +ATOM 491 CB VAL A 71 33.576 19.342 40.976 1.00 36.66 C +ATOM 492 CG1 VAL A 71 34.535 18.180 41.252 1.00 36.40 C +ATOM 493 CG2 VAL A 71 32.912 19.201 39.615 1.00 37.74 C +ATOM 494 N THR A 72 32.037 21.803 42.548 1.00 36.79 N +ATOM 495 CA THR A 72 31.258 23.014 42.443 1.00 36.75 C +ATOM 496 C THR A 72 32.008 23.992 41.561 1.00 36.44 C +ATOM 497 O THR A 72 33.183 24.276 41.786 1.00 36.33 O +ATOM 498 CB THR A 72 30.988 23.647 43.813 1.00 37.32 C +ATOM 499 OG1 THR A 72 30.276 22.709 44.621 1.00 38.64 O +ATOM 500 CG2 THR A 72 30.153 24.937 43.674 1.00 37.22 C +ATOM 501 N ILE A 73 31.315 24.473 40.545 1.00 35.97 N +ATOM 502 CA ILE A 73 31.853 25.478 39.647 1.00 36.09 C +ATOM 503 C ILE A 73 31.328 26.812 40.135 1.00 35.94 C +ATOM 504 O ILE A 73 30.145 26.939 40.456 1.00 35.75 O +ATOM 505 CB ILE A 73 31.412 25.235 38.203 1.00 36.24 C +ATOM 506 CG1 ILE A 73 31.904 23.865 37.727 1.00 37.10 C +ATOM 507 CG2 ILE A 73 31.919 26.376 37.304 1.00 36.55 C +ATOM 508 CD1 ILE A 73 31.237 23.389 36.474 1.00 38.04 C +ATOM 509 N VAL A 74 32.214 27.800 40.209 1.00 35.98 N +ATOM 510 CA VAL A 74 31.851 29.120 40.716 1.00 35.93 C +ATOM 511 C VAL A 74 32.207 30.208 39.703 1.00 35.86 C +ATOM 512 O VAL A 74 32.854 29.932 38.696 1.00 35.73 O +ATOM 513 CB VAL A 74 32.517 29.415 42.095 1.00 36.08 C +ATOM 514 CG1 VAL A 74 32.221 28.278 43.092 1.00 36.69 C +ATOM 515 CG2 VAL A 74 34.025 29.634 41.948 1.00 36.05 C +ATOM 516 N GLY A 75 31.751 31.426 39.965 1.00 35.68 N +ATOM 517 CA GLY A 75 32.068 32.578 39.115 1.00 36.03 C +ATOM 518 C GLY A 75 31.311 32.571 37.809 1.00 36.11 C +ATOM 519 O GLY A 75 31.783 33.115 36.804 1.00 36.03 O +ATOM 520 N LEU A 76 30.131 31.955 37.829 1.00 35.17 N +ATOM 521 CA LEU A 76 29.275 31.883 36.651 1.00 35.21 C +ATOM 522 C LEU A 76 28.353 33.093 36.540 1.00 35.16 C +ATOM 523 O LEU A 76 28.155 33.824 37.510 1.00 34.92 O +ATOM 524 CB LEU A 76 28.441 30.608 36.692 1.00 34.84 C +ATOM 525 CG LEU A 76 29.234 29.308 36.820 1.00 35.47 C +ATOM 526 CD1 LEU A 76 28.278 28.135 36.932 1.00 34.58 C +ATOM 527 CD2 LEU A 76 30.189 29.142 35.641 1.00 35.95 C +ATOM 528 N LYS A 77 27.800 33.292 35.347 1.00 35.41 N +ATOM 529 CA LYS A 77 26.867 34.381 35.084 1.00 35.75 C +ATOM 530 C LYS A 77 25.443 33.856 35.271 1.00 35.44 C +ATOM 531 O LYS A 77 25.144 32.728 34.859 1.00 34.90 O +ATOM 532 CB LYS A 77 27.050 34.914 33.660 1.00 35.87 C +ATOM 533 CG LYS A 77 28.409 35.561 33.392 1.00 36.48 C +ATOM 534 CD LYS A 77 28.512 36.060 31.959 1.00 37.38 C +ATOM 535 CE LYS A 77 29.858 36.746 31.700 1.00 39.55 C +ATOM 536 NZ LYS A 77 29.991 37.205 30.292 1.00 40.69 N +ATOM 537 N PRO A 78 24.564 34.657 35.906 1.00 35.23 N +ATOM 538 CA PRO A 78 23.174 34.218 36.088 1.00 35.29 C +ATOM 539 C PRO A 78 22.449 34.115 34.751 1.00 35.17 C +ATOM 540 O PRO A 78 22.866 34.749 33.784 1.00 34.68 O +ATOM 541 CB PRO A 78 22.551 35.334 36.945 1.00 35.32 C +ATOM 542 CG PRO A 78 23.720 36.088 37.528 1.00 36.00 C +ATOM 543 CD PRO A 78 24.799 35.990 36.491 1.00 35.70 C +ATOM 544 N GLU A 79 21.386 33.310 34.702 1.00 35.20 N +ATOM 545 CA GLU A 79 20.563 33.155 33.493 1.00 35.51 C +ATOM 546 C GLU A 79 21.393 32.816 32.249 1.00 35.10 C +ATOM 547 O GLU A 79 21.104 33.293 31.148 1.00 34.83 O +ATOM 548 CB GLU A 79 19.713 34.414 33.249 1.00 35.25 C +ATOM 549 CG GLU A 79 18.650 34.657 34.311 1.00 36.62 C +ATOM 550 CD GLU A 79 17.800 35.885 34.050 1.00 36.67 C +ATOM 551 OE1 GLU A 79 18.315 36.886 33.504 1.00 39.05 O +ATOM 552 OE2 GLU A 79 16.606 35.856 34.410 1.00 39.73 O +ATOM 553 N THR A 80 22.417 31.988 32.435 1.00 34.90 N +ATOM 554 CA THR A 80 23.343 31.638 31.358 1.00 34.63 C +ATOM 555 C THR A 80 23.452 30.127 31.199 1.00 34.48 C +ATOM 556 O THR A 80 23.525 29.388 32.193 1.00 34.33 O +ATOM 557 CB THR A 80 24.745 32.255 31.613 1.00 34.68 C +ATOM 558 OG1 THR A 80 24.629 33.681 31.699 1.00 33.92 O +ATOM 559 CG2 THR A 80 25.740 31.897 30.499 1.00 34.80 C +ATOM 560 N THR A 81 23.448 29.668 29.950 1.00 34.11 N +ATOM 561 CA THR A 81 23.604 28.243 29.670 1.00 34.17 C +ATOM 562 C THR A 81 25.077 27.889 29.485 1.00 34.09 C +ATOM 563 O THR A 81 25.799 28.574 28.763 1.00 34.20 O +ATOM 564 CB THR A 81 22.748 27.796 28.467 1.00 34.34 C +ATOM 565 OG1 THR A 81 21.369 28.056 28.754 1.00 34.50 O +ATOM 566 CG2 THR A 81 22.918 26.302 28.191 1.00 34.62 C +ATOM 567 N TYR A 82 25.507 26.836 30.180 1.00 33.85 N +ATOM 568 CA TYR A 82 26.876 26.334 30.136 1.00 33.90 C +ATOM 569 C TYR A 82 26.938 24.863 29.761 1.00 33.90 C +ATOM 570 O TYR A 82 26.062 24.084 30.128 1.00 33.47 O +ATOM 571 CB TYR A 82 27.543 26.455 31.511 1.00 33.74 C +ATOM 572 CG TYR A 82 27.793 27.864 31.958 1.00 33.77 C +ATOM 573 CD1 TYR A 82 29.007 28.490 31.689 1.00 33.02 C +ATOM 574 CD2 TYR A 82 26.813 28.579 32.643 1.00 33.58 C +ATOM 575 CE1 TYR A 82 29.236 29.800 32.087 1.00 33.82 C +ATOM 576 CE2 TYR A 82 27.034 29.884 33.053 1.00 33.65 C +ATOM 577 CZ TYR A 82 28.250 30.488 32.773 1.00 33.32 C +ATOM 578 OH TYR A 82 28.470 31.784 33.164 1.00 34.62 O +ATOM 579 N ALA A 83 27.984 24.501 29.028 1.00 33.68 N +ATOM 580 CA ALA A 83 28.334 23.112 28.829 1.00 33.80 C +ATOM 581 C ALA A 83 29.306 22.821 29.948 1.00 34.13 C +ATOM 582 O ALA A 83 30.038 23.712 30.382 1.00 33.86 O +ATOM 583 CB ALA A 83 29.027 22.919 27.481 1.00 33.74 C +ATOM 584 N VAL A 84 29.306 21.591 30.442 1.00 34.16 N +ATOM 585 CA VAL A 84 30.253 21.215 31.476 1.00 34.73 C +ATOM 586 C VAL A 84 30.721 19.787 31.229 1.00 35.12 C +ATOM 587 O VAL A 84 29.946 18.931 30.776 1.00 34.80 O +ATOM 588 CB VAL A 84 29.677 21.402 32.917 1.00 34.55 C +ATOM 589 CG1 VAL A 84 28.408 20.577 33.132 1.00 34.83 C +ATOM 590 CG2 VAL A 84 30.732 21.071 33.982 1.00 35.73 C +ATOM 591 N ARG A 85 31.999 19.551 31.490 1.00 34.99 N +ATOM 592 CA ARG A 85 32.570 18.217 31.355 1.00 35.45 C +ATOM 593 C ARG A 85 33.646 18.023 32.412 1.00 35.69 C +ATOM 594 O ARG A 85 34.136 19.000 33.007 1.00 35.23 O +ATOM 595 CB ARG A 85 33.136 18.001 29.951 1.00 35.16 C +ATOM 596 CG ARG A 85 34.158 19.038 29.531 1.00 35.70 C +ATOM 597 CD ARG A 85 34.466 18.911 28.052 1.00 37.03 C +ATOM 598 NE ARG A 85 35.593 19.747 27.657 1.00 36.79 N +ATOM 599 CZ ARG A 85 36.000 19.917 26.401 1.00 37.48 C +ATOM 600 NH1 ARG A 85 35.375 19.301 25.405 1.00 37.11 N +ATOM 601 NH2 ARG A 85 37.042 20.703 26.142 1.00 36.72 N +ATOM 602 N LEU A 86 34.007 16.764 32.634 1.00 35.75 N +ATOM 603 CA LEU A 86 34.909 16.385 33.711 1.00 37.37 C +ATOM 604 C LEU A 86 35.880 15.310 33.286 1.00 37.17 C +ATOM 605 O LEU A 86 35.541 14.449 32.491 1.00 37.22 O +ATOM 606 CB LEU A 86 34.087 15.808 34.866 1.00 37.84 C +ATOM 607 CG LEU A 86 33.595 16.563 36.085 1.00 43.05 C +ATOM 608 CD1 LEU A 86 33.224 18.018 35.838 1.00 45.17 C +ATOM 609 CD2 LEU A 86 32.419 15.788 36.621 1.00 44.48 C +ATOM 610 N ALA A 87 37.092 15.370 33.822 1.00 37.30 N +ATOM 611 CA ALA A 87 38.072 14.315 33.635 1.00 37.02 C +ATOM 612 C ALA A 87 38.671 13.960 34.993 1.00 37.32 C +ATOM 613 O ALA A 87 38.724 14.796 35.902 1.00 36.77 O +ATOM 614 CB ALA A 87 39.151 14.740 32.672 1.00 37.38 C +ATOM 615 N ALA A 88 39.114 12.715 35.117 1.00 37.02 N +ATOM 616 CA ALA A 88 39.761 12.226 36.325 1.00 37.24 C +ATOM 617 C ALA A 88 41.251 12.037 36.073 1.00 37.17 C +ATOM 618 O ALA A 88 41.665 11.699 34.963 1.00 37.56 O +ATOM 619 CB ALA A 88 39.126 10.906 36.772 1.00 36.68 C +ATOM 620 N LEU A 89 42.044 12.256 37.115 1.00 37.08 N +ATOM 621 CA LEU A 89 43.487 12.098 37.064 1.00 37.71 C +ATOM 622 C LEU A 89 43.927 11.091 38.115 1.00 37.73 C +ATOM 623 O LEU A 89 43.506 11.170 39.264 1.00 37.55 O +ATOM 624 CB LEU A 89 44.184 13.441 37.353 1.00 37.31 C +ATOM 625 CG LEU A 89 45.678 13.438 37.731 1.00 38.47 C +ATOM 626 CD1 LEU A 89 46.561 13.235 36.516 1.00 38.41 C +ATOM 627 CD2 LEU A 89 46.079 14.736 38.423 1.00 38.47 C +ATOM 628 N ASN A 90 44.773 10.149 37.715 1.00 38.18 N +ATOM 629 CA ASN A 90 45.414 9.257 38.672 1.00 38.68 C +ATOM 630 C ASN A 90 46.925 9.324 38.477 1.00 39.18 C +ATOM 631 O ASN A 90 47.420 10.226 37.792 1.00 38.97 O +ATOM 632 CB ASN A 90 44.858 7.823 38.587 1.00 38.63 C +ATOM 633 CG ASN A 90 45.096 7.164 37.237 1.00 38.83 C +ATOM 634 OD1 ASN A 90 45.830 7.678 36.390 1.00 39.39 O +ATOM 635 ND2 ASN A 90 44.468 6.012 37.033 1.00 37.83 N +ATOM 636 N GLY A 91 47.653 8.385 39.076 1.00 39.71 N +ATOM 637 CA GLY A 91 49.112 8.332 38.951 1.00 40.49 C +ATOM 638 C GLY A 91 49.614 8.155 37.527 1.00 40.92 C +ATOM 639 O GLY A 91 50.722 8.587 37.197 1.00 40.98 O +ATOM 640 N LYS A 92 48.795 7.526 36.683 1.00 41.25 N +ATOM 641 CA LYS A 92 49.146 7.277 35.283 1.00 41.45 C +ATOM 642 C LYS A 92 48.906 8.499 34.389 1.00 41.45 C +ATOM 643 O LYS A 92 49.456 8.588 33.288 1.00 41.60 O +ATOM 644 CB LYS A 92 48.395 6.055 34.751 1.00 41.60 C +ATOM 645 N GLY A 93 48.086 9.433 34.864 1.00 41.38 N +ATOM 646 CA GLY A 93 47.814 10.666 34.131 1.00 41.08 C +ATOM 647 C GLY A 93 46.350 11.052 34.067 1.00 40.93 C +ATOM 648 O GLY A 93 45.488 10.405 34.675 1.00 40.77 O +ATOM 649 N LEU A 94 46.077 12.129 33.335 1.00 40.73 N +ATOM 650 CA LEU A 94 44.718 12.615 33.148 1.00 40.51 C +ATOM 651 C LEU A 94 43.997 11.707 32.155 1.00 40.48 C +ATOM 652 O LEU A 94 44.517 11.420 31.075 1.00 40.45 O +ATOM 653 CB LEU A 94 44.732 14.065 32.651 1.00 40.49 C +ATOM 654 CG LEU A 94 43.423 14.861 32.596 1.00 40.31 C +ATOM 655 CD1 LEU A 94 42.770 14.974 33.963 1.00 38.78 C +ATOM 656 CD2 LEU A 94 43.672 16.248 32.004 1.00 40.48 C +ATOM 657 N GLY A 95 42.809 11.250 32.536 1.00 40.23 N +ATOM 658 CA GLY A 95 42.014 10.367 31.695 1.00 40.41 C +ATOM 659 C GLY A 95 41.192 11.138 30.685 1.00 40.36 C +ATOM 660 O GLY A 95 41.255 12.368 30.632 1.00 40.39 O +ATOM 661 N GLU A 96 40.418 10.410 29.885 1.00 40.29 N +ATOM 662 CA GLU A 96 39.567 11.009 28.859 1.00 40.38 C +ATOM 663 C GLU A 96 38.502 11.894 29.491 1.00 40.43 C +ATOM 664 O GLU A 96 37.960 11.569 30.552 1.00 40.37 O +ATOM 665 CB GLU A 96 38.920 9.926 27.995 1.00 40.28 C +ATOM 666 N ILE A 97 38.232 13.025 28.842 1.00 40.43 N +ATOM 667 CA ILE A 97 37.218 13.964 29.297 1.00 40.61 C +ATOM 668 C ILE A 97 35.833 13.328 29.120 1.00 40.07 C +ATOM 669 O ILE A 97 35.627 12.527 28.210 1.00 40.28 O +ATOM 670 CB ILE A 97 37.342 15.342 28.559 1.00 40.80 C +ATOM 671 CG1 ILE A 97 36.603 16.446 29.311 1.00 41.76 C +ATOM 672 CG2 ILE A 97 36.915 15.260 27.076 1.00 41.93 C +ATOM 673 CD1 ILE A 97 37.392 17.070 30.456 1.00 43.89 C +ATOM 674 N SER A 98 34.896 13.657 30.003 1.00 39.22 N +ATOM 675 CA SER A 98 33.548 13.110 29.907 1.00 38.60 C +ATOM 676 C SER A 98 32.802 13.742 28.748 1.00 38.37 C +ATOM 677 O SER A 98 33.231 14.764 28.197 1.00 37.64 O +ATOM 678 CB SER A 98 32.761 13.429 31.170 1.00 38.54 C +ATOM 679 OG SER A 98 32.465 14.815 31.213 1.00 37.36 O +ATOM 680 N ALA A 99 31.669 13.134 28.403 1.00 38.07 N +ATOM 681 CA ALA A 99 30.731 13.742 27.492 1.00 38.01 C +ATOM 682 C ALA A 99 30.265 15.004 28.208 1.00 38.07 C +ATOM 683 O ALA A 99 30.273 15.072 29.453 1.00 37.92 O +ATOM 684 CB ALA A 99 29.562 12.807 27.226 1.00 38.22 C +ATOM 685 N ALA A 100 29.896 16.015 27.436 1.00 37.73 N +ATOM 686 CA ALA A 100 29.449 17.255 28.028 1.00 37.95 C +ATOM 687 C ALA A 100 28.021 17.115 28.524 1.00 38.04 C +ATOM 688 O ALA A 100 27.201 16.393 27.940 1.00 37.36 O +ATOM 689 CB ALA A 100 29.555 18.397 27.030 1.00 38.08 C +ATOM 690 N SER A 101 27.761 17.759 29.648 1.00 38.21 N +ATOM 691 CA SER A 101 26.414 17.944 30.137 1.00 38.50 C +ATOM 692 C SER A 101 26.189 19.437 30.049 1.00 38.26 C +ATOM 693 O SER A 101 27.074 20.173 29.608 1.00 38.28 O +ATOM 694 CB SER A 101 26.270 17.431 31.562 1.00 38.49 C +ATOM 695 OG SER A 101 26.385 16.022 31.557 1.00 41.79 O +ATOM 696 N GLU A 102 25.008 19.892 30.423 1.00 38.16 N +ATOM 697 CA GLU A 102 24.728 21.317 30.367 1.00 38.56 C +ATOM 698 C GLU A 102 23.782 21.705 31.487 1.00 38.96 C +ATOM 699 O GLU A 102 23.090 20.851 32.053 1.00 38.60 O +ATOM 700 CB GLU A 102 24.131 21.701 29.016 1.00 38.51 C +ATOM 701 CG GLU A 102 22.739 21.154 28.766 1.00 37.71 C +ATOM 702 CD GLU A 102 22.162 21.648 27.464 1.00 36.76 C +ATOM 703 OE1 GLU A 102 22.639 21.206 26.393 1.00 35.06 O +ATOM 704 OE2 GLU A 102 21.219 22.468 27.511 1.00 35.67 O +ATOM 705 N PHE A 103 23.750 22.996 31.789 1.00 39.02 N +ATOM 706 CA PHE A 103 22.864 23.513 32.820 1.00 39.37 C +ATOM 707 C PHE A 103 22.672 24.986 32.542 1.00 39.46 C +ATOM 708 O PHE A 103 23.465 25.596 31.824 1.00 39.50 O +ATOM 709 CB PHE A 103 23.462 23.304 34.221 1.00 39.60 C +ATOM 710 CG PHE A 103 24.797 23.974 34.426 1.00 40.42 C +ATOM 711 CD1 PHE A 103 24.870 25.293 34.869 1.00 40.35 C +ATOM 712 CD2 PHE A 103 25.984 23.283 34.183 1.00 41.00 C +ATOM 713 CE1 PHE A 103 26.097 25.920 35.047 1.00 41.47 C +ATOM 714 CE2 PHE A 103 27.223 23.903 34.361 1.00 40.87 C +ATOM 715 CZ PHE A 103 27.282 25.222 34.800 1.00 41.98 C +ATOM 716 N LYS A 104 21.610 25.557 33.097 1.00 39.25 N +ATOM 717 CA LYS A 104 21.401 26.984 32.969 1.00 39.09 C +ATOM 718 C LYS A 104 21.342 27.544 34.381 1.00 38.80 C +ATOM 719 O LYS A 104 20.564 27.079 35.210 1.00 38.14 O +ATOM 720 CB LYS A 104 20.131 27.302 32.179 1.00 38.84 C +ATOM 721 CG LYS A 104 19.888 28.799 31.990 1.00 39.37 C +ATOM 722 CD LYS A 104 18.703 29.079 31.077 1.00 39.65 C +ATOM 723 CE LYS A 104 18.478 30.577 30.950 1.00 41.14 C +ATOM 724 NZ LYS A 104 17.489 30.912 29.889 1.00 42.71 N +ATOM 725 N THR A 105 22.185 28.534 34.651 1.00 38.22 N +ATOM 726 CA THR A 105 22.194 29.167 35.957 1.00 38.01 C +ATOM 727 C THR A 105 20.892 29.940 36.159 1.00 37.50 C +ATOM 728 O THR A 105 20.298 30.449 35.201 1.00 37.05 O +ATOM 729 CB THR A 105 23.383 30.127 36.103 1.00 37.96 C +ATOM 730 OG1 THR A 105 23.416 30.995 34.970 1.00 37.96 O +ATOM 731 CG2 THR A 105 24.709 29.349 36.193 1.00 38.30 C +ATOM 732 N GLN A 106 20.453 30.009 37.410 1.00 37.44 N +ATOM 733 CA GLN A 106 19.226 30.703 37.775 1.00 37.23 C +ATOM 734 C GLN A 106 19.432 32.222 37.762 1.00 36.90 C +ATOM 735 O GLN A 106 20.573 32.696 37.730 1.00 36.52 O +ATOM 736 CB GLN A 106 18.797 30.260 39.175 1.00 37.34 C +ATOM 737 CG GLN A 106 18.535 28.761 39.323 1.00 38.07 C +ATOM 738 CD GLN A 106 18.301 28.335 40.767 1.00 38.35 C +ATOM 739 OE1 GLN A 106 18.372 29.145 41.691 1.00 39.30 O +ATOM 740 NE2 GLN A 106 18.021 27.052 40.964 1.00 40.84 N +ATOM 741 N PRO A 107 18.329 32.998 37.762 1.00 36.71 N +ATOM 742 CA PRO A 107 18.532 34.425 37.972 1.00 36.58 C +ATOM 743 C PRO A 107 18.895 34.670 39.436 1.00 36.55 C +ATOM 744 O PRO A 107 18.668 33.798 40.283 1.00 36.23 O +ATOM 745 CB PRO A 107 17.161 35.031 37.650 1.00 36.72 C +ATOM 746 CG PRO A 107 16.187 33.932 37.865 1.00 36.88 C +ATOM 747 CD PRO A 107 16.908 32.656 37.548 1.00 36.69 C +ATOM 748 N VAL A 108 19.472 35.830 39.727 1.00 36.53 N +ATOM 749 CA VAL A 108 19.787 36.197 41.106 1.00 36.79 C +ATOM 750 C VAL A 108 18.486 36.156 41.910 1.00 36.87 C +ATOM 751 O VAL A 108 17.508 36.826 41.562 1.00 37.01 O +ATOM 752 CB VAL A 108 20.475 37.580 41.188 1.00 36.80 C +ATOM 753 CG1 VAL A 108 20.650 38.020 42.637 1.00 36.87 C +ATOM 754 CG2 VAL A 108 21.828 37.533 40.477 1.00 36.65 C +ATOM 755 N ARG A 109 18.473 35.337 42.960 1.00 36.99 N +ATOM 756 CA ARG A 109 17.265 35.125 43.763 1.00 37.10 C +ATOM 757 C ARG A 109 16.770 36.408 44.427 1.00 37.10 C +ATOM 758 O ARG A 109 17.561 37.294 44.765 1.00 36.90 O +ATOM 759 CB ARG A 109 17.476 34.007 44.799 1.00 37.08 C +ATOM 760 CG ARG A 109 18.359 34.375 45.991 1.00 37.25 C +ATOM 761 CD ARG A 109 18.804 33.144 46.775 1.00 37.28 C +ATOM 762 NE ARG A 109 17.688 32.361 47.307 1.00 37.22 N +ATOM 763 CZ ARG A 109 17.822 31.217 47.974 1.00 37.21 C +ATOM 764 NH1 ARG A 109 19.026 30.706 48.199 1.00 37.21 N +ATOM 765 NH2 ARG A 109 16.749 30.577 48.417 1.00 37.18 N +ATOM 766 N GLU A 110 15.451 36.499 44.582 1.00 37.14 N +ATOM 767 CA GLU A 110 14.816 37.638 45.232 1.00 37.22 C +ATOM 768 C GLU A 110 15.142 37.598 46.726 1.00 37.29 C +ATOM 769 O GLU A 110 14.847 36.600 47.392 1.00 37.24 O +ATOM 770 CB GLU A 110 13.303 37.593 45.003 1.00 37.18 C +ATOM 771 CG GLU A 110 12.541 38.820 45.475 1.00 37.21 C +ATOM 772 CD GLU A 110 11.043 38.716 45.220 1.00 37.16 C +ATOM 773 OE1 GLU A 110 10.286 39.515 45.810 1.00 37.29 O +ATOM 774 OE2 GLU A 110 10.622 37.837 44.434 1.00 36.63 O +ATOM 775 N PRO A 111 15.771 38.675 47.248 1.00 37.38 N +ATOM 776 CA PRO A 111 16.149 38.773 48.664 1.00 37.45 C +ATOM 777 C PRO A 111 14.983 38.495 49.616 1.00 37.49 C +ATOM 778 O PRO A 111 13.870 38.983 49.397 1.00 37.49 O +ATOM 779 CB PRO A 111 16.618 40.227 48.802 1.00 37.46 C +ATOM 780 CG PRO A 111 17.088 40.596 47.442 1.00 37.45 C +ATOM 781 CD PRO A 111 16.171 39.878 46.492 1.00 37.37 C +ATOM 782 N SER A 112 15.251 37.707 50.655 1.00 37.54 N +ATOM 783 CA SER A 112 14.240 37.336 51.643 1.00 37.52 C +ATOM 784 C SER A 112 14.167 38.349 52.782 1.00 37.53 C +ATOM 785 O SER A 112 15.165 38.968 53.154 1.00 37.53 O +ATOM 786 CB SER A 112 14.525 35.940 52.201 1.00 37.54 C +ATOM 787 OG SER A 112 14.558 34.971 51.166 1.00 37.52 O Added: SwiftApps/modFTdock/input/2e3v-2.pdb =================================================================== --- SwiftApps/modFTdock/input/2e3v-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/2e3v-2.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,738 @@ +ATOM 1 N SER B 8 7.522 7.120 35.324 1.00 45.21 N +ATOM 2 CA SER B 8 7.759 7.501 36.751 1.00 45.05 C +ATOM 3 C SER B 8 9.174 7.155 37.216 1.00 44.85 C +ATOM 4 O SER B 8 9.843 7.967 37.860 1.00 45.01 O +ATOM 5 CB SER B 8 6.724 6.829 37.661 1.00 45.18 C +ATOM 6 OG SER B 8 6.782 5.415 37.553 1.00 45.33 O +ATOM 7 N GLY B 9 9.620 5.944 36.888 1.00 44.45 N +ATOM 8 CA GLY B 9 10.947 5.471 37.278 1.00 43.60 C +ATOM 9 C GLY B 9 10.906 4.026 37.742 1.00 43.06 C +ATOM 10 O GLY B 9 9.824 3.473 37.943 1.00 43.00 O +ATOM 11 N PRO B 10 12.085 3.400 37.913 1.00 42.50 N +ATOM 12 CA PRO B 10 12.136 2.012 38.377 1.00 42.10 C +ATOM 13 C PRO B 10 11.792 1.899 39.860 1.00 41.87 C +ATOM 14 O PRO B 10 11.747 2.918 40.557 1.00 41.54 O +ATOM 15 CB PRO B 10 13.590 1.604 38.130 1.00 42.14 C +ATOM 16 CG PRO B 10 14.354 2.860 38.053 1.00 41.79 C +ATOM 17 CD PRO B 10 13.425 3.964 37.668 1.00 42.21 C +ATOM 18 N SER B 11 11.549 0.676 40.336 1.00 41.73 N +ATOM 19 CA SER B 11 11.214 0.466 41.746 1.00 41.82 C +ATOM 20 C SER B 11 12.402 0.851 42.619 1.00 41.57 C +ATOM 21 O SER B 11 13.548 0.877 42.151 1.00 41.00 O +ATOM 22 CB SER B 11 10.755 -0.976 42.022 1.00 42.61 C +ATOM 23 OG SER B 11 11.825 -1.906 41.951 1.00 44.37 O +ATOM 24 N SER B 12 12.124 1.191 43.874 1.00 41.31 N +ATOM 25 CA SER B 12 13.184 1.548 44.797 1.00 41.23 C +ATOM 26 C SER B 12 14.004 0.303 45.105 1.00 40.59 C +ATOM 27 O SER B 12 13.435 -0.773 45.287 1.00 40.99 O +ATOM 28 CB SER B 12 12.607 2.142 46.084 1.00 41.53 C +ATOM 29 OG SER B 12 11.757 1.219 46.735 1.00 43.52 O +ATOM 30 N PRO B 13 15.345 0.434 45.126 1.00 39.99 N +ATOM 31 CA PRO B 13 16.155 -0.704 45.542 1.00 39.16 C +ATOM 32 C PRO B 13 15.782 -1.108 46.963 1.00 38.64 C +ATOM 33 O PRO B 13 15.242 -0.300 47.725 1.00 38.16 O +ATOM 34 CB PRO B 13 17.586 -0.144 45.537 1.00 39.36 C +ATOM 35 CG PRO B 13 17.544 1.025 44.619 1.00 39.83 C +ATOM 36 CD PRO B 13 16.172 1.607 44.782 1.00 39.80 C +ATOM 37 N SER B 14 16.070 -2.349 47.313 1.00 37.36 N +ATOM 38 CA SER B 14 15.864 -2.818 48.664 1.00 37.30 C +ATOM 39 C SER B 14 17.230 -3.008 49.308 1.00 37.06 C +ATOM 40 O SER B 14 18.036 -3.790 48.812 1.00 37.02 O +ATOM 41 CB SER B 14 15.073 -4.137 48.631 1.00 37.11 C +ATOM 42 OG SER B 14 15.230 -4.848 49.834 1.00 38.16 O +ATOM 43 N ILE B 15 17.499 -2.280 50.392 1.00 37.10 N +ATOM 44 CA ILE B 15 18.775 -2.402 51.105 1.00 37.13 C +ATOM 45 C ILE B 15 18.754 -3.683 51.922 1.00 37.11 C +ATOM 46 O ILE B 15 17.887 -3.874 52.777 1.00 37.36 O +ATOM 47 CB ILE B 15 19.077 -1.182 52.014 1.00 37.42 C +ATOM 48 CG1 ILE B 15 19.241 0.087 51.167 1.00 36.75 C +ATOM 49 CG2 ILE B 15 20.338 -1.448 52.854 1.00 37.18 C +ATOM 50 CD1 ILE B 15 19.408 1.382 51.969 1.00 37.38 C +ATOM 51 N ASP B 16 19.720 -4.556 51.655 1.00 37.03 N +ATOM 52 CA ASP B 16 19.730 -5.893 52.247 1.00 36.98 C +ATOM 53 C ASP B 16 20.836 -6.129 53.261 1.00 36.88 C +ATOM 54 O ASP B 16 20.696 -6.968 54.147 1.00 36.63 O +ATOM 55 CB ASP B 16 19.804 -6.938 51.131 1.00 36.88 C +ATOM 56 CG ASP B 16 18.586 -6.904 50.225 1.00 37.58 C +ATOM 57 OD1 ASP B 16 17.458 -6.711 50.734 1.00 37.67 O +ATOM 58 OD2 ASP B 16 18.751 -7.075 49.004 1.00 36.50 O +ATOM 59 N GLN B 17 21.933 -5.389 53.122 1.00 37.04 N +ATOM 60 CA GLN B 17 23.078 -5.537 54.002 1.00 37.49 C +ATOM 61 C GLN B 17 23.939 -4.286 53.950 1.00 37.57 C +ATOM 62 O GLN B 17 24.297 -3.799 52.873 1.00 37.41 O +ATOM 63 CB GLN B 17 23.890 -6.784 53.610 1.00 37.60 C +ATOM 64 CG GLN B 17 25.164 -7.028 54.415 1.00 37.83 C +ATOM 65 CD GLN B 17 25.791 -8.389 54.130 1.00 38.46 C +ATOM 66 OE1 GLN B 17 25.341 -9.129 53.249 1.00 39.32 O +ATOM 67 NE2 GLN B 17 26.836 -8.727 54.880 1.00 39.16 N +ATOM 68 N VAL B 18 24.246 -3.746 55.120 1.00 37.58 N +ATOM 69 CA VAL B 18 25.153 -2.618 55.201 1.00 38.15 C +ATOM 70 C VAL B 18 26.334 -3.056 56.049 1.00 38.04 C +ATOM 71 O VAL B 18 26.151 -3.527 57.179 1.00 37.71 O +ATOM 72 CB VAL B 18 24.495 -1.368 55.833 1.00 38.42 C +ATOM 73 CG1 VAL B 18 25.506 -0.214 55.912 1.00 39.60 C +ATOM 74 CG2 VAL B 18 23.265 -0.943 55.036 1.00 39.63 C +ATOM 75 N GLU B 19 27.531 -2.946 55.486 1.00 37.29 N +ATOM 76 CA GLU B 19 28.751 -3.229 56.223 1.00 37.47 C +ATOM 77 C GLU B 19 29.443 -1.902 56.495 1.00 37.41 C +ATOM 78 O GLU B 19 30.039 -1.309 55.596 1.00 37.28 O +ATOM 79 CB GLU B 19 29.666 -4.204 55.472 1.00 37.33 C +ATOM 80 CG GLU B 19 29.079 -5.620 55.340 1.00 39.02 C +ATOM 81 CD GLU B 19 28.791 -6.285 56.689 1.00 41.22 C +ATOM 82 OE1 GLU B 19 29.584 -6.095 57.643 1.00 41.88 O +ATOM 83 OE2 GLU B 19 27.773 -7.010 56.792 1.00 41.98 O +ATOM 84 N PRO B 20 29.321 -1.407 57.731 1.00 37.59 N +ATOM 85 CA PRO B 20 29.954 -0.142 58.049 1.00 37.54 C +ATOM 86 C PRO B 20 31.404 -0.299 58.479 1.00 37.59 C +ATOM 87 O PRO B 20 31.774 -1.293 59.112 1.00 36.94 O +ATOM 88 CB PRO B 20 29.116 0.396 59.214 1.00 37.53 C +ATOM 89 CG PRO B 20 28.224 -0.748 59.664 1.00 38.03 C +ATOM 90 CD PRO B 20 28.581 -1.965 58.877 1.00 37.73 C +ATOM 91 N TYR B 21 32.214 0.687 58.117 1.00 37.33 N +ATOM 92 CA TYR B 21 33.595 0.752 58.557 1.00 37.76 C +ATOM 93 C TYR B 21 33.708 2.064 59.327 1.00 37.71 C +ATOM 94 O TYR B 21 32.696 2.547 59.827 1.00 37.90 O +ATOM 95 CB TYR B 21 34.548 0.611 57.366 1.00 38.20 C +ATOM 96 CG TYR B 21 34.355 -0.724 56.671 1.00 39.05 C +ATOM 97 CD1 TYR B 21 35.049 -1.858 57.093 1.00 39.36 C +ATOM 98 CD2 TYR B 21 33.450 -0.860 55.618 1.00 39.57 C +ATOM 99 CE1 TYR B 21 34.863 -3.088 56.473 1.00 40.02 C +ATOM 100 CE2 TYR B 21 33.250 -2.094 54.992 1.00 39.37 C +ATOM 101 CZ TYR B 21 33.963 -3.197 55.422 1.00 39.81 C +ATOM 102 OH TYR B 21 33.774 -4.417 54.808 1.00 40.18 O +ATOM 103 N SER B 22 34.895 2.639 59.455 1.00 37.20 N +ATOM 104 CA SER B 22 35.020 3.861 60.246 1.00 37.00 C +ATOM 105 C SER B 22 34.561 5.119 59.494 1.00 36.57 C +ATOM 106 O SER B 22 33.898 5.976 60.070 1.00 36.37 O +ATOM 107 CB SER B 22 36.440 4.024 60.789 1.00 37.10 C +ATOM 108 OG SER B 22 37.372 4.172 59.733 1.00 38.59 O +ATOM 109 N SER B 23 34.906 5.225 58.215 1.00 36.04 N +ATOM 110 CA SER B 23 34.541 6.403 57.429 1.00 35.65 C +ATOM 111 C SER B 23 33.822 6.030 56.135 1.00 35.46 C +ATOM 112 O SER B 23 33.542 6.889 55.298 1.00 35.39 O +ATOM 113 CB SER B 23 35.780 7.247 57.120 1.00 36.15 C +ATOM 114 OG SER B 23 36.635 6.587 56.205 1.00 36.41 O +ATOM 115 N THR B 24 33.530 4.744 55.976 1.00 35.38 N +ATOM 116 CA THR B 24 32.862 4.242 54.777 1.00 35.60 C +ATOM 117 C THR B 24 31.837 3.188 55.158 1.00 35.61 C +ATOM 118 O THR B 24 31.881 2.636 56.255 1.00 35.61 O +ATOM 119 CB THR B 24 33.860 3.581 53.775 1.00 35.60 C +ATOM 120 OG1 THR B 24 34.427 2.410 54.372 1.00 36.20 O +ATOM 121 CG2 THR B 24 34.980 4.532 53.360 1.00 36.21 C +ATOM 122 N ALA B 25 30.914 2.908 54.243 1.00 35.67 N +ATOM 123 CA ALA B 25 29.926 1.861 54.450 1.00 35.95 C +ATOM 124 C ALA B 25 29.597 1.242 53.107 1.00 36.20 C +ATOM 125 O ALA B 25 29.390 1.948 52.118 1.00 36.11 O +ATOM 126 CB ALA B 25 28.676 2.405 55.105 1.00 35.79 C +ATOM 127 N GLN B 26 29.604 -0.080 53.069 1.00 36.13 N +ATOM 128 CA GLN B 26 29.224 -0.795 51.874 1.00 37.14 C +ATOM 129 C GLN B 26 27.757 -1.133 52.023 1.00 36.79 C +ATOM 130 O GLN B 26 27.351 -1.796 52.989 1.00 37.37 O +ATOM 131 CB GLN B 26 30.066 -2.057 51.701 1.00 37.11 C +ATOM 132 CG GLN B 26 31.545 -1.751 51.440 1.00 38.47 C +ATOM 133 CD GLN B 26 32.390 -3.003 51.302 1.00 39.23 C +ATOM 134 OE1 GLN B 26 33.308 -3.057 50.482 1.00 43.10 O +ATOM 135 NE2 GLN B 26 32.076 -4.024 52.098 1.00 42.12 N +ATOM 136 N VAL B 27 26.965 -0.661 51.072 1.00 36.42 N +ATOM 137 CA VAL B 27 25.528 -0.868 51.095 1.00 36.39 C +ATOM 138 C VAL B 27 25.183 -1.830 49.972 1.00 36.51 C +ATOM 139 O VAL B 27 25.356 -1.503 48.790 1.00 36.36 O +ATOM 140 CB VAL B 27 24.758 0.467 50.934 1.00 36.55 C +ATOM 141 CG1 VAL B 27 23.251 0.239 50.943 1.00 36.83 C +ATOM 142 CG2 VAL B 27 25.163 1.481 52.040 1.00 35.92 C +ATOM 143 N GLN B 28 24.754 -3.032 50.346 1.00 36.76 N +ATOM 144 CA GLN B 28 24.258 -4.001 49.365 1.00 37.19 C +ATOM 145 C GLN B 28 22.758 -3.948 49.269 1.00 37.28 C +ATOM 146 O GLN B 28 22.052 -3.896 50.279 1.00 37.66 O +ATOM 147 CB GLN B 28 24.715 -5.427 49.649 1.00 37.54 C +ATOM 148 CG GLN B 28 25.936 -5.803 48.859 1.00 37.86 C +ATOM 149 CD GLN B 28 26.424 -7.207 49.132 1.00 38.97 C +ATOM 150 OE1 GLN B 28 26.753 -7.952 48.204 1.00 37.61 O +ATOM 151 NE2 GLN B 28 26.472 -7.579 50.401 1.00 38.08 N +ATOM 152 N PHE B 29 22.281 -3.981 48.034 1.00 37.40 N +ATOM 153 CA PHE B 29 20.865 -3.897 47.758 1.00 37.34 C +ATOM 154 C PHE B 29 20.474 -4.872 46.662 1.00 37.41 C +ATOM 155 O PHE B 29 21.331 -5.453 45.987 1.00 37.09 O +ATOM 156 CB PHE B 29 20.528 -2.469 47.304 1.00 37.32 C +ATOM 157 CG PHE B 29 21.236 -2.053 46.045 1.00 37.79 C +ATOM 158 CD1 PHE B 29 20.645 -2.267 44.799 1.00 38.59 C +ATOM 159 CD2 PHE B 29 22.503 -1.480 46.096 1.00 37.69 C +ATOM 160 CE1 PHE B 29 21.306 -1.904 43.628 1.00 38.19 C +ATOM 161 CE2 PHE B 29 23.173 -1.115 44.930 1.00 37.80 C +ATOM 162 CZ PHE B 29 22.565 -1.324 43.694 1.00 38.08 C +ATOM 163 N ASP B 30 19.171 -5.045 46.488 1.00 37.59 N +ATOM 164 CA ASP B 30 18.668 -5.774 45.346 1.00 38.52 C +ATOM 165 C ASP B 30 17.760 -4.841 44.567 1.00 39.23 C +ATOM 166 O ASP B 30 17.187 -3.900 45.126 1.00 38.82 O +ATOM 167 CB ASP B 30 17.960 -7.075 45.752 1.00 38.09 C +ATOM 168 CG ASP B 30 16.651 -6.840 46.480 1.00 38.38 C +ATOM 169 OD1 ASP B 30 16.671 -6.874 47.724 1.00 37.32 O +ATOM 170 OD2 ASP B 30 15.601 -6.642 45.814 1.00 39.27 O +ATOM 171 N GLU B 31 17.656 -5.115 43.273 1.00 40.16 N +ATOM 172 CA GLU B 31 16.866 -4.341 42.339 1.00 41.43 C +ATOM 173 C GLU B 31 16.436 -5.311 41.239 1.00 41.93 C +ATOM 174 O GLU B 31 17.240 -6.131 40.809 1.00 42.18 O +ATOM 175 CB GLU B 31 17.741 -3.211 41.770 1.00 41.25 C +ATOM 176 CG GLU B 31 17.072 -2.311 40.731 1.00 43.30 C +ATOM 177 CD GLU B 31 15.974 -1.428 41.302 1.00 45.23 C +ATOM 178 OE1 GLU B 31 15.967 -1.185 42.522 1.00 46.52 O +ATOM 179 OE2 GLU B 31 15.114 -0.971 40.524 1.00 46.42 O +ATOM 180 N PRO B 32 15.160 -5.258 40.807 1.00 42.73 N +ATOM 181 CA PRO B 32 14.693 -6.145 39.731 1.00 43.50 C +ATOM 182 C PRO B 32 15.573 -6.140 38.473 1.00 44.23 C +ATOM 183 O PRO B 32 16.126 -5.093 38.110 1.00 44.02 O +ATOM 184 CB PRO B 32 13.299 -5.603 39.414 1.00 43.51 C +ATOM 185 CG PRO B 32 12.841 -5.016 40.703 1.00 43.12 C +ATOM 186 CD PRO B 32 14.068 -4.412 41.323 1.00 42.87 C +ATOM 187 N GLU B 33 15.701 -7.307 37.836 1.00 44.89 N +ATOM 188 CA GLU B 33 16.479 -7.467 36.595 1.00 45.85 C +ATOM 189 C GLU B 33 15.793 -6.756 35.427 1.00 46.14 C +ATOM 190 O GLU B 33 16.370 -5.858 34.805 1.00 46.68 O +ATOM 191 CB GLU B 33 16.674 -8.955 36.228 1.00 45.85 C +ATOM 192 CG GLU B 33 17.409 -9.839 37.268 1.00 46.77 C +ATOM 193 CD GLU B 33 18.867 -9.439 37.528 1.00 47.98 C +ATOM 194 OE1 GLU B 33 19.531 -8.902 36.605 1.00 49.71 O +ATOM 195 OE2 GLU B 33 19.355 -9.678 38.662 1.00 45.62 O +ATOM 196 N VAL B 38 14.490 -1.531 29.111 1.00 42.54 N +ATOM 197 CA VAL B 38 14.700 -0.340 29.934 1.00 42.18 C +ATOM 198 C VAL B 38 15.683 -0.639 31.082 1.00 41.93 C +ATOM 199 O VAL B 38 15.268 -0.872 32.221 1.00 41.99 O +ATOM 200 CB VAL B 38 13.358 0.239 30.473 1.00 42.15 C +ATOM 201 CG1 VAL B 38 13.588 1.569 31.191 1.00 42.56 C +ATOM 202 CG2 VAL B 38 12.354 0.420 29.345 1.00 43.09 C +ATOM 203 N PRO B 39 16.995 -0.642 30.778 1.00 41.49 N +ATOM 204 CA PRO B 39 18.007 -0.938 31.796 1.00 40.92 C +ATOM 205 C PRO B 39 18.108 0.119 32.893 1.00 40.01 C +ATOM 206 O PRO B 39 17.797 1.290 32.656 1.00 39.66 O +ATOM 207 CB PRO B 39 19.317 -0.946 30.994 1.00 41.34 C +ATOM 208 CG PRO B 39 19.040 -0.107 29.795 1.00 41.70 C +ATOM 209 CD PRO B 39 17.604 -0.374 29.460 1.00 41.28 C +ATOM 210 N ILE B 40 18.514 -0.309 34.088 1.00 38.99 N +ATOM 211 CA ILE B 40 18.846 0.620 35.153 1.00 38.40 C +ATOM 212 C ILE B 40 20.149 1.261 34.692 1.00 37.40 C +ATOM 213 O ILE B 40 21.063 0.561 34.246 1.00 37.23 O +ATOM 214 CB ILE B 40 19.082 -0.073 36.520 1.00 38.62 C +ATOM 215 CG1 ILE B 40 17.862 -0.895 36.963 1.00 39.65 C +ATOM 216 CG2 ILE B 40 19.487 0.965 37.585 1.00 38.23 C +ATOM 217 CD1 ILE B 40 16.638 -0.085 37.365 1.00 41.03 C +ATOM 218 N LEU B 41 20.216 2.582 34.762 1.00 36.40 N +ATOM 219 CA LEU B 41 21.390 3.317 34.293 1.00 35.83 C +ATOM 220 C LEU B 41 22.288 3.763 35.434 1.00 35.39 C +ATOM 221 O LEU B 41 23.517 3.692 35.341 1.00 34.86 O +ATOM 222 CB LEU B 41 20.940 4.528 33.474 1.00 36.18 C +ATOM 223 CG LEU B 41 20.064 4.130 32.275 1.00 36.25 C +ATOM 224 CD1 LEU B 41 19.520 5.362 31.578 1.00 38.08 C +ATOM 225 CD2 LEU B 41 20.826 3.239 31.301 1.00 37.10 C +ATOM 226 N LYS B 42 21.663 4.215 36.515 1.00 34.79 N +ATOM 227 CA LYS B 42 22.398 4.713 37.662 1.00 34.65 C +ATOM 228 C LYS B 42 21.634 4.411 38.938 1.00 34.53 C +ATOM 229 O LYS B 42 20.438 4.106 38.913 1.00 33.97 O +ATOM 230 CB LYS B 42 22.603 6.242 37.575 1.00 34.43 C +ATOM 231 CG LYS B 42 23.273 6.792 36.300 1.00 34.78 C +ATOM 232 CD LYS B 42 24.739 6.403 36.163 1.00 33.81 C +ATOM 233 CE LYS B 42 25.220 6.627 34.717 1.00 34.43 C +ATOM 234 NZ LYS B 42 26.710 6.544 34.577 1.00 33.12 N +ATOM 235 N TYR B 43 22.349 4.518 40.052 1.00 34.79 N +ATOM 236 CA TYR B 43 21.766 4.476 41.371 1.00 35.27 C +ATOM 237 C TYR B 43 22.152 5.762 42.074 1.00 35.50 C +ATOM 238 O TYR B 43 23.222 6.330 41.818 1.00 34.61 O +ATOM 239 CB TYR B 43 22.297 3.287 42.160 1.00 35.39 C +ATOM 240 CG TYR B 43 21.827 1.979 41.612 1.00 35.68 C +ATOM 241 CD1 TYR B 43 20.556 1.497 41.928 1.00 36.20 C +ATOM 242 CD2 TYR B 43 22.633 1.225 40.763 1.00 36.23 C +ATOM 243 CE1 TYR B 43 20.097 0.299 41.411 1.00 37.43 C +ATOM 244 CE2 TYR B 43 22.182 0.013 40.241 1.00 36.37 C +ATOM 245 CZ TYR B 43 20.915 -0.438 40.574 1.00 36.23 C +ATOM 246 OH TYR B 43 20.449 -1.633 40.095 1.00 36.44 O +ATOM 247 N LYS B 44 21.267 6.238 42.938 1.00 35.83 N +ATOM 248 CA LYS B 44 21.587 7.398 43.747 1.00 36.09 C +ATOM 249 C LYS B 44 21.393 7.017 45.200 1.00 36.22 C +ATOM 250 O LYS B 44 20.337 6.501 45.588 1.00 36.62 O +ATOM 251 CB LYS B 44 20.722 8.602 43.372 1.00 36.55 C +ATOM 252 CG LYS B 44 21.123 9.896 44.100 1.00 36.85 C +ATOM 253 CD LYS B 44 20.157 11.012 43.749 1.00 40.31 C +ATOM 254 CE LYS B 44 20.583 12.321 44.396 1.00 41.42 C +ATOM 255 NZ LYS B 44 19.721 13.453 43.951 1.00 42.02 N +ATOM 256 N ALA B 45 22.433 7.225 46.000 1.00 35.70 N +ATOM 257 CA ALA B 45 22.335 6.958 47.420 1.00 35.06 C +ATOM 258 C ALA B 45 22.179 8.280 48.131 1.00 35.28 C +ATOM 259 O ALA B 45 22.709 9.299 47.679 1.00 33.90 O +ATOM 260 CB ALA B 45 23.568 6.229 47.919 1.00 35.15 C +ATOM 261 N GLU B 46 21.404 8.275 49.211 1.00 35.15 N +ATOM 262 CA GLU B 46 21.303 9.437 50.075 1.00 35.88 C +ATOM 263 C GLU B 46 21.545 8.965 51.489 1.00 35.04 C +ATOM 264 O GLU B 46 21.113 7.879 51.872 1.00 35.20 O +ATOM 265 CB GLU B 46 19.929 10.102 49.998 1.00 36.14 C +ATOM 266 CG GLU B 46 19.588 10.741 48.669 1.00 38.10 C +ATOM 267 CD GLU B 46 18.261 11.486 48.726 1.00 38.77 C +ATOM 268 OE1 GLU B 46 17.404 11.148 49.573 1.00 42.53 O +ATOM 269 OE2 GLU B 46 18.076 12.423 47.932 1.00 42.84 O +ATOM 270 N TRP B 47 22.249 9.772 52.269 1.00 34.68 N +ATOM 271 CA TRP B 47 22.478 9.432 53.663 1.00 34.09 C +ATOM 272 C TRP B 47 22.511 10.691 54.512 1.00 34.02 C +ATOM 273 O TRP B 47 22.727 11.799 54.006 1.00 33.17 O +ATOM 274 CB TRP B 47 23.748 8.590 53.838 1.00 34.47 C +ATOM 275 CG TRP B 47 25.009 9.319 53.443 1.00 35.29 C +ATOM 276 CD1 TRP B 47 25.889 9.959 54.273 1.00 34.61 C +ATOM 277 CD2 TRP B 47 25.509 9.478 52.116 1.00 34.56 C +ATOM 278 NE1 TRP B 47 26.917 10.500 53.534 1.00 34.55 N +ATOM 279 CE2 TRP B 47 26.705 10.215 52.207 1.00 35.04 C +ATOM 280 CE3 TRP B 47 25.062 9.050 50.847 1.00 36.25 C +ATOM 281 CZ2 TRP B 47 27.458 10.557 51.082 1.00 34.33 C +ATOM 282 CZ3 TRP B 47 25.816 9.384 49.726 1.00 34.76 C +ATOM 283 CH2 TRP B 47 26.999 10.133 49.851 1.00 34.42 C +ATOM 284 N ARG B 48 22.282 10.520 55.806 1.00 33.59 N +ATOM 285 CA ARG B 48 22.224 11.650 56.717 1.00 33.67 C +ATOM 286 C ARG B 48 22.585 11.156 58.106 1.00 33.27 C +ATOM 287 O ARG B 48 22.054 10.144 58.553 1.00 32.94 O +ATOM 288 CB ARG B 48 20.805 12.231 56.701 1.00 33.68 C +ATOM 289 CG ARG B 48 20.608 13.438 57.569 1.00 35.77 C +ATOM 290 CD ARG B 48 19.234 14.044 57.369 1.00 37.09 C +ATOM 291 NE ARG B 48 18.179 13.249 57.992 1.00 39.55 N +ATOM 292 CZ ARG B 48 16.928 13.669 58.147 1.00 40.78 C +ATOM 293 NH1 ARG B 48 16.570 14.877 57.727 1.00 39.94 N +ATOM 294 NH2 ARG B 48 16.034 12.885 58.731 1.00 41.78 N +ATOM 295 N ALA B 49 23.507 11.854 58.768 1.00 33.07 N +ATOM 296 CA ALA B 49 23.864 11.539 60.142 1.00 33.45 C +ATOM 297 C ALA B 49 22.666 11.854 61.023 1.00 33.43 C +ATOM 298 O ALA B 49 21.847 12.719 60.689 1.00 32.79 O +ATOM 299 CB ALA B 49 25.084 12.339 60.589 1.00 33.76 C +ATOM 300 N VAL B 50 22.562 11.145 62.143 1.00 33.55 N +ATOM 301 CA VAL B 50 21.444 11.325 63.075 1.00 33.87 C +ATOM 302 C VAL B 50 21.235 12.789 63.487 1.00 34.13 C +ATOM 303 O VAL B 50 20.097 13.228 63.649 1.00 34.52 O +ATOM 304 CB VAL B 50 21.546 10.351 64.303 1.00 33.96 C +ATOM 305 CG1 VAL B 50 22.803 10.616 65.137 1.00 33.88 C +ATOM 306 CG2 VAL B 50 20.296 10.411 65.178 1.00 34.05 C +ATOM 307 N GLY B 51 22.317 13.552 63.617 1.00 34.27 N +ATOM 308 CA GLY B 51 22.209 14.961 64.011 1.00 35.20 C +ATOM 309 C GLY B 51 22.159 15.973 62.867 1.00 35.67 C +ATOM 310 O GLY B 51 22.231 17.178 63.110 1.00 35.26 O +ATOM 311 N GLU B 52 22.031 15.487 61.632 1.00 36.39 N +ATOM 312 CA GLU B 52 21.991 16.348 60.433 1.00 37.80 C +ATOM 313 C GLU B 52 20.575 16.568 59.896 1.00 37.52 C +ATOM 314 O GLU B 52 19.671 15.779 60.161 1.00 37.00 O +ATOM 315 CB GLU B 52 22.840 15.753 59.299 1.00 38.01 C +ATOM 316 CG GLU B 52 24.311 15.567 59.621 1.00 39.58 C +ATOM 317 CD GLU B 52 25.136 15.097 58.416 1.00 40.19 C +ATOM 318 OE1 GLU B 52 26.199 15.722 58.199 1.00 44.27 O +ATOM 319 OE2 GLU B 52 24.741 14.138 57.685 1.00 39.19 O +ATOM 320 N GLU B 53 20.401 17.643 59.129 1.00 37.62 N +ATOM 321 CA GLU B 53 19.127 17.943 58.472 1.00 37.96 C +ATOM 322 C GLU B 53 19.170 17.591 56.992 1.00 37.79 C +ATOM 323 O GLU B 53 18.210 17.039 56.440 1.00 37.96 O +ATOM 324 CB GLU B 53 18.767 19.432 58.606 1.00 38.15 C +ATOM 325 CG GLU B 53 18.772 19.988 60.024 1.00 39.55 C +ATOM 326 CD GLU B 53 17.865 19.225 60.972 1.00 41.37 C +ATOM 327 OE1 GLU B 53 18.101 19.321 62.189 1.00 41.00 O +ATOM 328 OE2 GLU B 53 16.937 18.519 60.504 1.00 42.51 O +ATOM 329 N VAL B 54 20.290 17.904 56.351 1.00 37.51 N +ATOM 330 CA VAL B 54 20.411 17.716 54.911 1.00 37.77 C +ATOM 331 C VAL B 54 20.913 16.315 54.581 1.00 37.47 C +ATOM 332 O VAL B 54 21.840 15.797 55.220 1.00 37.58 O +ATOM 333 CB VAL B 54 21.316 18.801 54.263 1.00 37.67 C +ATOM 334 CG1 VAL B 54 21.410 18.621 52.749 1.00 39.07 C +ATOM 335 CG2 VAL B 54 20.788 20.195 54.583 1.00 39.24 C +ATOM 336 N TRP B 55 20.280 15.706 53.585 1.00 36.72 N +ATOM 337 CA TRP B 55 20.704 14.419 53.093 1.00 36.32 C +ATOM 338 C TRP B 55 21.858 14.597 52.125 1.00 36.45 C +ATOM 339 O TRP B 55 21.744 15.350 51.154 1.00 36.55 O +ATOM 340 CB TRP B 55 19.545 13.721 52.376 1.00 36.58 C +ATOM 341 CG TRP B 55 18.484 13.248 53.308 1.00 36.71 C +ATOM 342 CD1 TRP B 55 17.444 13.980 53.809 1.00 36.91 C +ATOM 343 CD2 TRP B 55 18.358 11.938 53.859 1.00 36.23 C +ATOM 344 NE1 TRP B 55 16.680 13.204 54.644 1.00 36.18 N +ATOM 345 CE2 TRP B 55 17.216 11.945 54.693 1.00 36.52 C +ATOM 346 CE3 TRP B 55 19.101 10.758 53.736 1.00 35.20 C +ATOM 347 CZ2 TRP B 55 16.797 10.813 55.404 1.00 36.38 C +ATOM 348 CZ3 TRP B 55 18.683 9.630 54.442 1.00 36.45 C +ATOM 349 CH2 TRP B 55 17.539 9.668 55.262 1.00 37.25 C +ATOM 350 N HIS B 56 22.970 13.922 52.386 1.00 35.61 N +ATOM 351 CA HIS B 56 24.053 13.889 51.409 1.00 35.96 C +ATOM 352 C HIS B 56 23.662 12.924 50.308 1.00 35.27 C +ATOM 353 O HIS B 56 22.792 12.094 50.512 1.00 34.87 O +ATOM 354 CB HIS B 56 25.364 13.454 52.050 1.00 36.40 C +ATOM 355 CG HIS B 56 25.890 14.439 53.046 1.00 38.05 C +ATOM 356 ND1 HIS B 56 26.231 15.726 52.706 1.00 41.66 N +ATOM 357 CD2 HIS B 56 26.110 14.329 54.376 1.00 40.61 C +ATOM 358 CE1 HIS B 56 26.653 16.368 53.782 1.00 41.74 C +ATOM 359 NE2 HIS B 56 26.585 15.542 54.810 1.00 41.56 N +ATOM 360 N SER B 57 24.280 13.047 49.135 1.00 34.79 N +ATOM 361 CA SER B 57 23.977 12.116 48.053 1.00 34.82 C +ATOM 362 C SER B 57 25.193 11.860 47.192 1.00 34.43 C +ATOM 363 O SER B 57 26.146 12.641 47.198 1.00 33.41 O +ATOM 364 CB SER B 57 22.829 12.617 47.174 1.00 34.70 C +ATOM 365 OG SER B 57 23.222 13.745 46.426 1.00 35.20 O +ATOM 366 N LYS B 58 25.141 10.747 46.475 1.00 34.03 N +ATOM 367 CA LYS B 58 26.172 10.380 45.528 1.00 34.02 C +ATOM 368 C LYS B 58 25.551 9.464 44.485 1.00 33.61 C +ATOM 369 O LYS B 58 24.680 8.649 44.790 1.00 33.06 O +ATOM 370 CB LYS B 58 27.332 9.662 46.221 1.00 34.26 C +ATOM 371 CG LYS B 58 28.497 9.339 45.271 1.00 35.39 C +ATOM 372 CD LYS B 58 29.759 8.964 46.037 1.00 36.01 C +ATOM 373 CE LYS B 58 30.884 8.618 45.079 1.00 37.10 C +ATOM 374 NZ LYS B 58 32.161 8.384 45.812 1.00 35.82 N +ATOM 375 N TRP B 59 26.020 9.611 43.259 1.00 33.27 N +ATOM 376 CA TRP B 59 25.548 8.810 42.152 1.00 33.93 C +ATOM 377 C TRP B 59 26.534 7.696 41.861 1.00 33.90 C +ATOM 378 O TRP B 59 27.759 7.862 42.023 1.00 34.31 O +ATOM 379 CB TRP B 59 25.409 9.705 40.925 1.00 33.99 C +ATOM 380 CG TRP B 59 24.239 10.630 40.991 1.00 34.52 C +ATOM 381 CD1 TRP B 59 24.191 11.870 41.572 1.00 34.51 C +ATOM 382 CD2 TRP B 59 22.940 10.388 40.446 1.00 34.78 C +ATOM 383 NE1 TRP B 59 22.937 12.415 41.415 1.00 34.23 N +ATOM 384 CE2 TRP B 59 22.151 11.523 40.727 1.00 34.48 C +ATOM 385 CE3 TRP B 59 22.363 9.312 39.748 1.00 35.53 C +ATOM 386 CZ2 TRP B 59 20.813 11.622 40.325 1.00 34.79 C +ATOM 387 CZ3 TRP B 59 21.030 9.412 39.351 1.00 35.64 C +ATOM 388 CH2 TRP B 59 20.272 10.561 39.644 1.00 34.87 C +ATOM 389 N TYR B 60 25.999 6.589 41.356 1.00 34.14 N +ATOM 390 CA TYR B 60 26.782 5.397 41.079 1.00 33.92 C +ATOM 391 C TYR B 60 26.337 4.818 39.750 1.00 34.41 C +ATOM 392 O TYR B 60 25.143 4.778 39.451 1.00 34.08 O +ATOM 393 CB TYR B 60 26.544 4.351 42.180 1.00 34.13 C +ATOM 394 CG TYR B 60 26.961 4.816 43.554 1.00 33.32 C +ATOM 395 CD1 TYR B 60 28.248 4.578 44.024 1.00 34.01 C +ATOM 396 CD2 TYR B 60 26.074 5.521 44.376 1.00 34.01 C +ATOM 397 CE1 TYR B 60 28.654 5.049 45.303 1.00 35.05 C +ATOM 398 CE2 TYR B 60 26.461 5.975 45.650 1.00 33.91 C +ATOM 399 CZ TYR B 60 27.747 5.732 46.099 1.00 33.99 C +ATOM 400 OH TYR B 60 28.130 6.169 47.348 1.00 34.92 O +ATOM 401 N ASP B 61 27.300 4.378 38.954 1.00 34.57 N +ATOM 402 CA ASP B 61 26.989 3.741 37.699 1.00 35.12 C +ATOM 403 C ASP B 61 26.336 2.377 37.962 1.00 35.43 C +ATOM 404 O ASP B 61 26.833 1.598 38.779 1.00 35.61 O +ATOM 405 CB ASP B 61 28.248 3.534 36.887 1.00 34.70 C +ATOM 406 CG ASP B 61 27.961 2.894 35.555 1.00 37.01 C +ATOM 407 OD1 ASP B 61 27.267 3.530 34.719 1.00 37.30 O +ATOM 408 OD2 ASP B 61 28.438 1.760 35.354 1.00 37.74 O +ATOM 409 N ALA B 62 25.244 2.090 37.258 1.00 35.78 N +ATOM 410 CA ALA B 62 24.507 0.839 37.485 1.00 36.62 C +ATOM 411 C ALA B 62 25.330 -0.393 37.135 1.00 37.21 C +ATOM 412 O ALA B 62 25.316 -1.367 37.870 1.00 37.10 O +ATOM 413 CB ALA B 62 23.197 0.828 36.715 1.00 37.12 C +ATOM 414 N LYS B 63 26.054 -0.343 36.019 1.00 37.68 N +ATOM 415 CA LYS B 63 26.850 -1.485 35.585 1.00 38.86 C +ATOM 416 C LYS B 63 27.930 -1.857 36.612 1.00 38.84 C +ATOM 417 O LYS B 63 28.146 -3.036 36.894 1.00 39.21 O +ATOM 418 CB LYS B 63 27.418 -1.247 34.176 1.00 39.04 C +ATOM 419 CG LYS B 63 27.916 -2.496 33.460 1.00 41.98 C +ATOM 420 CD LYS B 63 29.432 -2.653 33.551 1.00 45.58 C +ATOM 421 CE LYS B 63 29.878 -4.018 33.034 1.00 46.98 C +ATOM 422 NZ LYS B 63 29.374 -4.337 31.664 1.00 48.23 N +ATOM 423 N GLU B 64 28.581 -0.851 37.186 1.00 39.25 N +ATOM 424 CA GLU B 64 29.598 -1.078 38.210 1.00 39.31 C +ATOM 425 C GLU B 64 28.981 -1.623 39.497 1.00 38.52 C +ATOM 426 O GLU B 64 29.524 -2.541 40.119 1.00 38.60 O +ATOM 427 CB GLU B 64 30.370 0.213 38.520 1.00 39.82 C +ATOM 428 CG AGLU B 64 31.590 -0.067 39.396 0.50 40.34 C +ATOM 429 CG BGLU B 64 31.175 0.758 37.337 0.50 40.85 C +ATOM 430 CD AGLU B 64 32.149 1.137 40.123 0.50 40.86 C +ATOM 431 CD BGLU B 64 32.403 -0.076 37.025 0.50 42.62 C +ATOM 432 OE1AGLU B 64 31.581 2.249 40.035 0.50 42.93 O +ATOM 433 OE1BGLU B 64 32.878 -0.795 37.932 0.50 43.94 O +ATOM 434 OE2AGLU B 64 33.171 0.951 40.808 0.50 39.85 O +ATOM 435 OE2BGLU B 64 32.901 -0.006 35.878 0.50 43.24 O +ATOM 436 N ALA B 65 27.850 -1.048 39.894 1.00 37.61 N +ATOM 437 CA ALA B 65 27.123 -1.507 41.079 1.00 37.00 C +ATOM 438 C ALA B 65 26.480 -2.893 40.889 1.00 37.11 C +ATOM 439 O ALA B 65 26.211 -3.588 41.864 1.00 36.18 O +ATOM 440 CB ALA B 65 26.062 -0.503 41.457 1.00 36.85 C +ATOM 441 N SER B 66 26.242 -3.282 39.642 1.00 37.18 N +ATOM 442 CA SER B 66 25.512 -4.518 39.343 1.00 37.98 C +ATOM 443 C SER B 66 26.226 -5.817 39.720 1.00 38.35 C +ATOM 444 O SER B 66 25.560 -6.800 40.018 1.00 37.39 O +ATOM 445 CB SER B 66 25.096 -4.561 37.872 1.00 37.91 C +ATOM 446 OG SER B 66 26.206 -4.840 37.026 1.00 39.60 O +ATOM 455 N GLU B 68 27.909 -6.778 42.374 1.00 37.61 N +ATOM 456 CA GLU B 68 27.592 -7.201 43.729 1.00 37.03 C +ATOM 457 C GLU B 68 26.374 -6.496 44.312 1.00 36.63 C +ATOM 458 O GLU B 68 26.047 -6.697 45.479 1.00 36.18 O +ATOM 459 CB GLU B 68 28.813 -7.026 44.638 1.00 36.84 C +ATOM 460 CG GLU B 68 29.941 -7.995 44.320 1.00 37.38 C +ATOM 461 CD GLU B 68 31.099 -7.868 45.277 1.00 39.20 C +ATOM 462 OE1 GLU B 68 31.783 -6.820 45.257 1.00 39.13 O +ATOM 463 OE2 GLU B 68 31.325 -8.819 46.042 1.00 39.00 O +ATOM 464 N GLY B 69 25.688 -5.702 43.488 1.00 36.45 N +ATOM 465 CA GLY B 69 24.550 -4.906 43.946 1.00 36.69 C +ATOM 466 C GLY B 69 25.027 -4.072 45.113 1.00 37.21 C +ATOM 467 O GLY B 69 24.424 -4.091 46.179 1.00 37.53 O +ATOM 468 N ILE B 70 26.138 -3.360 44.907 1.00 36.89 N +ATOM 469 CA ILE B 70 26.797 -2.636 45.977 1.00 37.29 C +ATOM 470 C ILE B 70 27.070 -1.179 45.608 1.00 36.77 C +ATOM 471 O ILE B 70 27.427 -0.869 44.461 1.00 36.34 O +ATOM 472 CB ILE B 70 28.168 -3.312 46.388 1.00 37.18 C +ATOM 473 CG1AILE B 70 28.576 -2.907 47.808 0.50 36.95 C +ATOM 474 CG1BILE B 70 27.971 -4.582 47.201 0.50 37.45 C +ATOM 475 CG2AILE B 70 29.247 -3.065 45.332 0.50 37.37 C +ATOM 476 CG2BILE B 70 29.022 -2.355 47.231 0.50 37.73 C +ATOM 477 CD1AILE B 70 29.756 -3.689 48.349 0.50 37.81 C +ATOM 478 CD1BILE B 70 29.255 -5.131 47.852 0.50 37.01 C +ATOM 479 N VAL B 71 26.871 -0.293 46.579 1.00 36.82 N +ATOM 480 CA VAL B 71 27.376 1.082 46.479 1.00 36.73 C +ATOM 481 C VAL B 71 28.139 1.344 47.777 1.00 37.07 C +ATOM 482 O VAL B 71 27.759 0.846 48.839 1.00 36.58 O +ATOM 483 CB VAL B 71 26.279 2.169 46.201 1.00 36.84 C +ATOM 484 CG1 VAL B 71 25.606 1.941 44.839 1.00 37.40 C +ATOM 485 CG2 VAL B 71 25.215 2.245 47.315 1.00 37.55 C +ATOM 486 N THR B 72 29.246 2.064 47.678 1.00 36.77 N +ATOM 487 CA THR B 72 30.034 2.389 48.852 1.00 37.64 C +ATOM 488 C THR B 72 29.902 3.872 49.156 1.00 37.38 C +ATOM 489 O THR B 72 30.120 4.729 48.286 1.00 36.54 O +ATOM 490 CB THR B 72 31.528 1.983 48.696 1.00 37.80 C +ATOM 491 OG1 THR B 72 31.611 0.561 48.561 1.00 39.79 O +ATOM 492 CG2 THR B 72 32.331 2.395 49.927 1.00 38.35 C +ATOM 493 N ILE B 73 29.514 4.156 50.394 1.00 37.55 N +ATOM 494 CA ILE B 73 29.396 5.513 50.884 1.00 37.81 C +ATOM 495 C ILE B 73 30.708 5.815 51.579 1.00 37.54 C +ATOM 496 O ILE B 73 31.160 5.024 52.402 1.00 36.85 O +ATOM 497 CB ILE B 73 28.288 5.645 51.962 1.00 38.07 C +ATOM 498 CG1 ILE B 73 26.974 4.957 51.551 1.00 41.66 C +ATOM 499 CG2 ILE B 73 28.097 7.114 52.358 1.00 39.10 C +ATOM 500 CD1 ILE B 73 26.235 5.604 50.415 1.00 44.57 C +ATOM 501 N VAL B 74 31.310 6.960 51.266 1.00 37.00 N +ATOM 502 CA VAL B 74 32.582 7.355 51.873 1.00 37.07 C +ATOM 503 C VAL B 74 32.479 8.726 52.534 1.00 37.39 C +ATOM 504 O VAL B 74 31.455 9.405 52.409 1.00 37.55 O +ATOM 505 CB VAL B 74 33.757 7.358 50.851 1.00 37.34 C +ATOM 506 CG1 VAL B 74 33.817 6.026 50.094 1.00 36.49 C +ATOM 507 CG2 VAL B 74 33.649 8.533 49.863 1.00 36.78 C +ATOM 508 N GLY B 75 33.538 9.109 53.245 1.00 36.95 N +ATOM 509 CA GLY B 75 33.633 10.415 53.877 1.00 37.37 C +ATOM 510 C GLY B 75 32.775 10.537 55.114 1.00 37.53 C +ATOM 511 O GLY B 75 32.459 11.642 55.542 1.00 37.74 O +ATOM 512 N LEU B 76 32.407 9.399 55.697 1.00 36.77 N +ATOM 513 CA LEU B 76 31.575 9.384 56.886 1.00 36.89 C +ATOM 514 C LEU B 76 32.399 9.656 58.125 1.00 37.18 C +ATOM 515 O LEU B 76 33.620 9.479 58.127 1.00 36.52 O +ATOM 516 CB LEU B 76 30.872 8.026 57.040 1.00 36.36 C +ATOM 517 CG LEU B 76 30.024 7.582 55.849 1.00 36.69 C +ATOM 518 CD1 LEU B 76 29.525 6.167 56.067 1.00 34.30 C +ATOM 519 CD2 LEU B 76 28.861 8.546 55.618 1.00 35.53 C +ATOM 520 N LYS B 77 31.709 10.088 59.173 1.00 38.04 N +ATOM 521 CA LYS B 77 32.319 10.345 60.472 1.00 39.47 C +ATOM 522 C LYS B 77 32.276 9.056 61.292 1.00 38.68 C +ATOM 523 O LYS B 77 31.251 8.375 61.311 1.00 39.18 O +ATOM 524 CB LYS B 77 31.563 11.454 61.201 1.00 39.44 C +ATOM 525 CG LYS B 77 31.770 12.845 60.600 1.00 42.08 C +ATOM 526 CD LYS B 77 30.866 13.919 61.231 1.00 42.23 C +ATOM 527 CE LYS B 77 29.411 13.773 60.768 1.00 47.58 C +ATOM 528 NZ LYS B 77 28.641 15.051 60.911 1.00 49.59 N +ATOM 529 N PRO B 78 33.398 8.696 61.941 1.00 38.33 N +ATOM 530 CA PRO B 78 33.458 7.508 62.795 1.00 38.02 C +ATOM 531 C PRO B 78 32.473 7.570 63.968 1.00 37.52 C +ATOM 532 O PRO B 78 32.091 8.663 64.397 1.00 37.23 O +ATOM 533 CB PRO B 78 34.902 7.519 63.309 1.00 38.02 C +ATOM 534 CG PRO B 78 35.653 8.293 62.287 1.00 38.81 C +ATOM 535 CD PRO B 78 34.705 9.371 61.859 1.00 38.43 C +ATOM 536 N GLU B 79 32.063 6.397 64.455 1.00 37.05 N +ATOM 537 CA GLU B 79 31.124 6.261 65.582 1.00 36.69 C +ATOM 538 C GLU B 79 29.885 7.143 65.445 1.00 36.19 C +ATOM 539 O GLU B 79 29.455 7.786 66.401 1.00 35.40 O +ATOM 540 CB GLU B 79 31.829 6.539 66.914 1.00 37.03 C +ATOM 541 CG GLU B 79 33.101 5.754 67.089 1.00 38.37 C +ATOM 542 CD GLU B 79 33.718 5.937 68.449 1.00 39.96 C +ATOM 543 OE1 GLU B 79 34.812 6.534 68.521 1.00 41.20 O +ATOM 544 OE2 GLU B 79 33.104 5.496 69.444 1.00 41.69 O +ATOM 545 N THR B 80 29.304 7.143 64.251 1.00 35.80 N +ATOM 546 CA THR B 80 28.168 7.999 63.945 1.00 35.72 C +ATOM 547 C THR B 80 27.060 7.184 63.296 1.00 35.30 C +ATOM 548 O THR B 80 27.308 6.387 62.388 1.00 35.14 O +ATOM 549 CB THR B 80 28.601 9.182 63.025 1.00 36.13 C +ATOM 550 OG1 THR B 80 29.573 9.979 63.710 1.00 36.17 O +ATOM 551 CG2 THR B 80 27.422 10.080 62.645 1.00 36.80 C +ATOM 552 N THR B 81 25.840 7.386 63.780 1.00 34.60 N +ATOM 553 CA THR B 81 24.674 6.735 63.219 1.00 34.33 C +ATOM 554 C THR B 81 24.178 7.497 62.002 1.00 34.37 C +ATOM 555 O THR B 81 24.031 8.724 62.044 1.00 34.09 O +ATOM 556 CB THR B 81 23.556 6.601 64.273 1.00 34.38 C +ATOM 557 OG1 THR B 81 24.043 5.800 65.344 1.00 34.09 O +ATOM 558 CG2 THR B 81 22.312 5.941 63.690 1.00 34.16 C +ATOM 559 N TYR B 82 23.939 6.747 60.923 1.00 34.10 N +ATOM 560 CA TYR B 82 23.443 7.292 59.668 1.00 34.24 C +ATOM 561 C TYR B 82 22.192 6.577 59.237 1.00 34.12 C +ATOM 562 O TYR B 82 21.985 5.412 59.573 1.00 34.26 O +ATOM 563 CB TYR B 82 24.472 7.107 58.541 1.00 33.70 C +ATOM 564 CG TYR B 82 25.661 8.002 58.662 1.00 34.29 C +ATOM 565 CD1 TYR B 82 25.668 9.273 58.073 1.00 32.93 C +ATOM 566 CD2 TYR B 82 26.779 7.588 59.362 1.00 33.60 C +ATOM 567 CE1 TYR B 82 26.759 10.103 58.207 1.00 34.49 C +ATOM 568 CE2 TYR B 82 27.866 8.396 59.497 1.00 32.95 C +ATOM 569 CZ TYR B 82 27.860 9.650 58.924 1.00 33.68 C +ATOM 570 OH TYR B 82 28.962 10.442 59.087 1.00 33.62 O +ATOM 571 N ALA B 83 21.353 7.302 58.507 1.00 33.96 N +ATOM 572 CA ALA B 83 20.245 6.708 57.780 1.00 34.23 C +ATOM 573 C ALA B 83 20.709 6.724 56.337 1.00 34.01 C +ATOM 574 O ALA B 83 21.328 7.697 55.901 1.00 33.30 O +ATOM 575 CB ALA B 83 18.990 7.542 57.929 1.00 34.77 C +ATOM 576 N VAL B 84 20.436 5.653 55.593 1.00 33.83 N +ATOM 577 CA VAL B 84 20.809 5.617 54.177 1.00 33.67 C +ATOM 578 C VAL B 84 19.621 5.108 53.372 1.00 33.97 C +ATOM 579 O VAL B 84 18.887 4.222 53.829 1.00 33.22 O +ATOM 580 CB VAL B 84 22.094 4.746 53.915 1.00 33.82 C +ATOM 581 CG1 VAL B 84 21.903 3.276 54.392 1.00 34.03 C +ATOM 582 CG2 VAL B 84 22.518 4.794 52.435 1.00 33.87 C +ATOM 583 N ARG B 85 19.417 5.687 52.197 1.00 33.82 N +ATOM 584 CA ARG B 85 18.347 5.236 51.301 1.00 34.31 C +ATOM 585 C ARG B 85 18.843 5.315 49.864 1.00 34.54 C +ATOM 586 O ARG B 85 19.787 6.055 49.576 1.00 34.69 O +ATOM 587 CB ARG B 85 17.072 6.055 51.522 1.00 34.26 C +ATOM 588 CG ARG B 85 17.269 7.550 51.365 1.00 35.83 C +ATOM 589 CD ARG B 85 16.107 8.334 51.952 1.00 37.21 C +ATOM 590 NE ARG B 85 16.201 9.732 51.548 1.00 37.87 N +ATOM 591 CZ ARG B 85 15.383 10.692 51.961 1.00 38.93 C +ATOM 592 NH1 ARG B 85 14.393 10.420 52.805 1.00 39.56 N +ATOM 593 NH2 ARG B 85 15.560 11.926 51.523 1.00 40.08 N +ATOM 594 N LEU B 86 18.232 4.533 48.977 1.00 34.34 N +ATOM 595 CA LEU B 86 18.680 4.437 47.588 1.00 34.96 C +ATOM 596 C LEU B 86 17.541 4.618 46.594 1.00 34.52 C +ATOM 597 O LEU B 86 16.386 4.335 46.895 1.00 34.11 O +ATOM 598 CB LEU B 86 19.324 3.071 47.332 1.00 35.52 C +ATOM 599 CG LEU B 86 20.368 2.508 48.300 1.00 38.15 C +ATOM 600 CD1 LEU B 86 20.716 1.103 47.868 1.00 41.01 C +ATOM 601 CD2 LEU B 86 21.614 3.372 48.326 1.00 40.04 C +ATOM 602 N ALA B 87 17.882 5.115 45.413 1.00 34.58 N +ATOM 603 CA ALA B 87 16.933 5.226 44.319 1.00 34.69 C +ATOM 604 C ALA B 87 17.654 4.737 43.068 1.00 34.97 C +ATOM 605 O ALA B 87 18.890 4.720 43.019 1.00 35.00 O +ATOM 606 CB ALA B 87 16.462 6.664 44.155 1.00 34.85 C +ATOM 607 N ALA B 88 16.888 4.318 42.070 1.00 34.68 N +ATOM 608 CA ALA B 88 17.456 3.824 40.824 1.00 34.86 C +ATOM 609 C ALA B 88 17.007 4.737 39.697 1.00 35.09 C +ATOM 610 O ALA B 88 15.927 5.322 39.758 1.00 35.25 O +ATOM 611 CB ALA B 88 17.009 2.368 40.566 1.00 34.78 C +ATOM 612 N LEU B 89 17.861 4.894 38.693 1.00 35.21 N +ATOM 613 CA LEU B 89 17.551 5.727 37.542 1.00 35.71 C +ATOM 614 C LEU B 89 17.521 4.880 36.277 1.00 35.83 C +ATOM 615 O LEU B 89 18.440 4.096 36.027 1.00 35.63 O +ATOM 616 CB LEU B 89 18.605 6.828 37.365 1.00 35.74 C +ATOM 617 CG LEU B 89 18.401 7.807 36.198 1.00 36.41 C +ATOM 618 CD1 LEU B 89 17.629 9.028 36.661 1.00 37.50 C +ATOM 619 CD2 LEU B 89 19.733 8.253 35.619 1.00 37.08 C +ATOM 620 N ASN B 90 16.456 5.035 35.497 1.00 36.37 N +ATOM 621 CA ASN B 90 16.410 4.475 34.152 1.00 36.85 C +ATOM 622 C ASN B 90 16.053 5.578 33.151 1.00 37.36 C +ATOM 623 O ASN B 90 16.135 6.764 33.482 1.00 36.96 O +ATOM 624 CB ASN B 90 15.499 3.232 34.049 1.00 37.03 C +ATOM 625 CG ASN B 90 14.016 3.538 34.249 1.00 37.46 C +ATOM 626 OD1 ASN B 90 13.575 4.687 34.225 1.00 38.05 O +ATOM 627 ND2 ASN B 90 13.235 2.482 34.436 1.00 38.35 N +ATOM 628 N GLY B 91 15.672 5.186 31.939 1.00 37.95 N +ATOM 629 CA GLY B 91 15.304 6.133 30.886 1.00 39.02 C +ATOM 630 C GLY B 91 14.070 6.955 31.212 1.00 39.66 C +ATOM 631 O GLY B 91 13.962 8.110 30.796 1.00 40.09 O +ATOM 632 N LYS B 92 13.139 6.359 31.957 1.00 40.09 N +ATOM 633 CA LYS B 92 11.902 7.032 32.355 1.00 40.33 C +ATOM 634 C LYS B 92 12.147 8.081 33.443 1.00 40.45 C +ATOM 635 O LYS B 92 11.322 8.974 33.651 1.00 40.78 O +ATOM 636 CB LYS B 92 10.864 6.013 32.811 1.00 40.57 C +ATOM 637 N GLY B 93 13.277 7.960 34.136 1.00 40.17 N +ATOM 638 CA GLY B 93 13.668 8.923 35.154 1.00 39.83 C +ATOM 639 C GLY B 93 14.131 8.269 36.440 1.00 39.51 C +ATOM 640 O GLY B 93 14.366 7.058 36.489 1.00 39.18 O +ATOM 641 N LEU B 94 14.269 9.087 37.478 1.00 39.39 N +ATOM 642 CA LEU B 94 14.659 8.609 38.791 1.00 39.46 C +ATOM 643 C LEU B 94 13.431 8.012 39.466 1.00 39.58 C +ATOM 644 O LEU B 94 12.357 8.623 39.479 1.00 39.62 O +ATOM 645 CB LEU B 94 15.251 9.749 39.632 1.00 39.42 C +ATOM 646 CG LEU B 94 15.918 9.419 40.974 1.00 39.05 C +ATOM 647 CD1 LEU B 94 17.095 8.454 40.822 1.00 38.45 C +ATOM 648 CD2 LEU B 94 16.382 10.712 41.646 1.00 39.82 C +ATOM 649 N GLY B 95 13.587 6.807 39.998 1.00 39.37 N +ATOM 650 CA GLY B 95 12.497 6.140 40.690 1.00 39.44 C +ATOM 651 C GLY B 95 12.364 6.636 42.115 1.00 39.41 C +ATOM 652 O GLY B 95 13.143 7.479 42.567 1.00 39.10 O +ATOM 653 N GLU B 96 11.368 6.108 42.821 1.00 39.68 N +ATOM 654 CA GLU B 96 11.134 6.457 44.215 1.00 39.75 C +ATOM 655 C GLU B 96 12.311 6.024 45.076 1.00 39.93 C +ATOM 656 O GLU B 96 12.944 4.998 44.816 1.00 39.61 O +ATOM 657 CB GLU B 96 9.844 5.823 44.715 1.00 40.07 C +ATOM 658 N ILE B 97 12.620 6.836 46.084 1.00 40.06 N +ATOM 659 CA ILE B 97 13.690 6.524 47.018 1.00 40.34 C +ATOM 660 C ILE B 97 13.201 5.419 47.968 1.00 40.10 C +ATOM 661 O ILE B 97 12.010 5.355 48.288 1.00 40.04 O +ATOM 662 CB ILE B 97 14.152 7.805 47.784 1.00 40.44 C +ATOM 663 CG1 ILE B 97 15.551 7.635 48.384 1.00 41.84 C +ATOM 664 CG2 ILE B 97 13.115 8.266 48.812 1.00 40.75 C +ATOM 665 CD1 ILE B 97 16.703 8.108 47.489 1.00 42.66 C +ATOM 666 N SER B 98 14.113 4.538 48.382 1.00 39.65 N +ATOM 667 CA SER B 98 13.787 3.454 49.309 1.00 38.97 C +ATOM 668 C SER B 98 13.526 3.988 50.708 1.00 39.12 C +ATOM 669 O SER B 98 13.781 5.166 51.004 1.00 38.87 O +ATOM 670 CB SER B 98 14.939 2.443 49.387 1.00 38.93 C +ATOM 671 OG SER B 98 16.064 2.996 50.079 1.00 36.96 O +ATOM 672 N ALA B 99 13.020 3.108 51.568 1.00 38.96 N +ATOM 673 CA ALA B 99 12.937 3.397 52.986 1.00 39.06 C +ATOM 674 C ALA B 99 14.385 3.504 53.470 1.00 39.08 C +ATOM 675 O ALA B 99 15.304 2.939 52.856 1.00 38.75 O +ATOM 676 CB ALA B 99 12.190 2.284 53.717 1.00 39.28 C +ATOM 677 N ALA B 100 14.606 4.244 54.549 1.00 39.05 N +ATOM 678 CA ALA B 100 15.953 4.410 55.048 1.00 39.01 C +ATOM 679 C ALA B 100 16.361 3.252 55.959 1.00 39.41 C +ATOM 680 O ALA B 100 15.560 2.774 56.773 1.00 39.44 O +ATOM 681 CB ALA B 100 16.088 5.744 55.766 1.00 39.28 C +ATOM 682 N SER B 101 17.593 2.784 55.780 1.00 39.35 N +ATOM 683 CA SER B 101 18.185 1.776 56.651 1.00 39.87 C +ATOM 684 C SER B 101 19.128 2.507 57.582 1.00 39.77 C +ATOM 685 O SER B 101 19.745 3.488 57.194 1.00 39.81 O +ATOM 686 CB SER B 101 18.945 0.717 55.847 1.00 39.81 C +ATOM 687 OG SER B 101 18.039 -0.115 55.158 1.00 41.11 O +ATOM 688 N GLU B 102 19.232 2.035 58.812 1.00 39.35 N +ATOM 689 CA GLU B 102 20.083 2.674 59.803 1.00 39.86 C +ATOM 690 C GLU B 102 21.366 1.872 59.964 1.00 39.37 C +ATOM 691 O GLU B 102 21.341 0.637 59.973 1.00 39.40 O +ATOM 692 CB GLU B 102 19.342 2.752 61.149 1.00 39.95 C +ATOM 693 CG GLU B 102 20.182 3.234 62.337 1.00 41.66 C +ATOM 694 CD GLU B 102 19.514 3.014 63.688 1.00 41.88 C +ATOM 695 OE1 GLU B 102 18.263 3.000 63.764 1.00 46.96 O +ATOM 696 OE2 GLU B 102 20.241 2.852 64.693 1.00 45.03 O +ATOM 697 N PHE B 103 22.486 2.574 60.091 1.00 38.51 N +ATOM 698 CA PHE B 103 23.742 1.917 60.421 1.00 38.09 C +ATOM 699 C PHE B 103 24.599 2.849 61.260 1.00 37.14 C +ATOM 700 O PHE B 103 24.326 4.045 61.360 1.00 37.16 O +ATOM 701 CB PHE B 103 24.495 1.435 59.168 1.00 37.76 C +ATOM 702 CG PHE B 103 25.034 2.538 58.321 1.00 38.09 C +ATOM 703 CD1 PHE B 103 26.303 3.064 58.564 1.00 38.05 C +ATOM 704 CD2 PHE B 103 24.287 3.054 57.274 1.00 38.00 C +ATOM 705 CE1 PHE B 103 26.806 4.082 57.792 1.00 37.98 C +ATOM 706 CE2 PHE B 103 24.793 4.079 56.489 1.00 37.92 C +ATOM 707 CZ PHE B 103 26.057 4.593 56.746 1.00 39.03 C +ATOM 708 N LYS B 104 25.634 2.295 61.874 1.00 36.17 N +ATOM 709 CA LYS B 104 26.545 3.111 62.656 1.00 35.10 C +ATOM 710 C LYS B 104 27.964 2.780 62.236 1.00 35.04 C +ATOM 711 O LYS B 104 28.330 1.610 62.146 1.00 33.92 O +ATOM 712 CB LYS B 104 26.354 2.872 64.156 1.00 35.22 C +ATOM 713 CG LYS B 104 27.184 3.796 65.022 1.00 34.14 C +ATOM 714 CD LYS B 104 26.871 3.622 66.496 1.00 34.33 C +ATOM 715 CE LYS B 104 27.601 4.680 67.312 1.00 33.08 C +ATOM 716 NZ LYS B 104 27.420 4.496 68.777 1.00 33.67 N +ATOM 717 N THR B 105 28.760 3.815 61.977 1.00 34.55 N +ATOM 718 CA THR B 105 30.153 3.603 61.593 1.00 34.68 C +ATOM 719 C THR B 105 30.954 3.130 62.794 1.00 35.07 C +ATOM 720 O THR B 105 30.588 3.392 63.946 1.00 34.50 O +ATOM 721 CB THR B 105 30.807 4.869 61.005 1.00 34.63 C +ATOM 722 OG1 THR B 105 30.556 5.979 61.868 1.00 34.12 O +ATOM 723 CG2 THR B 105 30.260 5.167 59.600 1.00 34.15 C +ATOM 724 N GLN B 106 32.034 2.409 62.512 1.00 35.51 N +ATOM 725 CA GLN B 106 32.917 1.893 63.541 1.00 36.63 C +ATOM 726 C GLN B 106 33.839 3.008 64.036 1.00 36.87 C +ATOM 727 O GLN B 106 33.925 4.068 63.404 1.00 36.88 O +ATOM 728 CB GLN B 106 33.757 0.743 62.979 1.00 36.57 C +ATOM 729 CG GLN B 106 32.957 -0.456 62.487 1.00 37.34 C +ATOM 730 CD GLN B 106 33.836 -1.624 62.071 1.00 38.01 C +ATOM 731 OE1 GLN B 106 34.897 -1.870 62.657 1.00 40.22 O +ATOM 732 NE2 GLN B 106 33.388 -2.366 61.067 1.00 40.36 N +ATOM 733 N PRO B 107 34.506 2.792 65.188 1.00 37.36 N +ATOM 734 CA PRO B 107 35.546 3.733 65.592 1.00 37.61 C +ATOM 735 C PRO B 107 36.758 3.560 64.687 1.00 38.08 C +ATOM 736 O PRO B 107 36.892 2.522 64.028 1.00 38.05 O +ATOM 737 CB PRO B 107 35.899 3.286 67.020 1.00 37.76 C +ATOM 738 CG PRO B 107 34.807 2.358 67.434 1.00 37.54 C +ATOM 739 CD PRO B 107 34.324 1.723 66.185 1.00 37.26 C +ATOM 740 N VAL B 108 37.622 4.572 64.643 1.00 38.50 N +ATOM 741 CA VAL B 108 38.855 4.502 63.861 1.00 38.91 C +ATOM 742 C VAL B 108 39.696 3.332 64.366 1.00 38.98 C +ATOM 743 O VAL B 108 40.023 3.246 65.550 1.00 39.06 O +ATOM 744 CB VAL B 108 39.659 5.832 63.927 1.00 39.01 C +ATOM 745 CG1 VAL B 108 41.045 5.675 63.302 1.00 39.34 C +ATOM 746 CG2 VAL B 108 38.897 6.949 63.241 1.00 39.05 C Added: SwiftApps/modFTdock/input/2e3v-3.pdb =================================================================== --- SwiftApps/modFTdock/input/2e3v-3.pdb (rev 0) +++ SwiftApps/modFTdock/input/2e3v-3.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,748 @@ +ATOM 1 N SER C 8 16.793 -19.706 63.216 1.00 55.01 N +ATOM 2 CA SER C 8 18.051 -19.533 62.425 1.00 54.96 C +ATOM 3 C SER C 8 17.779 -19.036 61.004 1.00 54.83 C +ATOM 4 O SER C 8 18.405 -18.076 60.546 1.00 54.97 O +ATOM 5 CB SER C 8 18.852 -20.838 62.390 1.00 54.97 C +ATOM 6 OG SER C 8 18.090 -21.887 61.817 1.00 55.35 O +ATOM 7 N GLY C 9 16.854 -19.697 60.311 1.00 54.65 N +ATOM 8 CA GLY C 9 16.490 -19.315 58.948 1.00 54.01 C +ATOM 9 C GLY C 9 16.063 -20.473 58.062 1.00 53.73 C +ATOM 10 O GLY C 9 15.887 -21.595 58.543 1.00 53.63 O +ATOM 11 N PRO C 10 15.901 -20.208 56.750 1.00 53.46 N +ATOM 12 CA PRO C 10 15.465 -21.222 55.789 1.00 53.23 C +ATOM 13 C PRO C 10 16.578 -22.200 55.453 1.00 53.07 C +ATOM 14 O PRO C 10 17.756 -21.891 55.662 1.00 53.02 O +ATOM 15 CB PRO C 10 15.127 -20.409 54.529 1.00 53.38 C +ATOM 16 CG PRO C 10 15.292 -18.972 54.888 1.00 53.27 C +ATOM 17 CD PRO C 10 16.155 -18.911 56.098 1.00 53.54 C +ATOM 18 N SER C 11 16.211 -23.362 54.915 1.00 52.61 N +ATOM 19 CA SER C 11 17.204 -24.339 54.490 1.00 52.54 C +ATOM 20 C SER C 11 17.953 -23.788 53.278 1.00 52.34 C +ATOM 21 O SER C 11 17.458 -22.897 52.573 1.00 51.95 O +ATOM 22 CB SER C 11 16.561 -25.704 54.191 1.00 52.97 C +ATOM 23 OG SER C 11 15.731 -25.650 53.044 1.00 53.79 O +ATOM 24 N SER C 12 19.160 -24.292 53.059 1.00 51.91 N +ATOM 25 CA SER C 12 19.982 -23.823 51.958 1.00 51.84 C +ATOM 26 C SER C 12 19.347 -24.205 50.626 1.00 50.94 C +ATOM 27 O SER C 12 18.820 -25.308 50.486 1.00 51.41 O +ATOM 28 CB SER C 12 21.406 -24.376 52.069 1.00 51.96 C +ATOM 29 OG SER C 12 21.402 -25.792 52.142 1.00 54.02 O +ATOM 30 N PRO C 13 19.352 -23.276 49.656 1.00 50.19 N +ATOM 31 CA PRO C 13 18.856 -23.616 48.335 1.00 49.43 C +ATOM 32 C PRO C 13 19.699 -24.734 47.748 1.00 48.71 C +ATOM 33 O PRO C 13 20.851 -24.930 48.155 1.00 48.82 O +ATOM 34 CB PRO C 13 19.102 -22.330 47.532 1.00 49.32 C +ATOM 35 CG PRO C 13 19.126 -21.257 48.540 1.00 49.77 C +ATOM 36 CD PRO C 13 19.795 -21.874 49.725 1.00 49.97 C +ATOM 37 N SER C 14 19.133 -25.457 46.796 1.00 47.31 N +ATOM 38 CA SER C 14 19.882 -26.461 46.082 1.00 46.69 C +ATOM 39 C SER C 14 20.065 -25.980 44.649 1.00 46.28 C +ATOM 40 O SER C 14 19.086 -25.776 43.928 1.00 45.99 O +ATOM 41 CB SER C 14 19.142 -27.806 46.124 1.00 46.67 C +ATOM 42 OG SER C 14 19.628 -28.669 45.117 1.00 47.57 O +ATOM 43 N ILE C 15 21.318 -25.785 44.248 1.00 46.03 N +ATOM 44 CA ILE C 15 21.641 -25.372 42.883 1.00 46.25 C +ATOM 45 C ILE C 15 21.441 -26.584 41.980 1.00 46.06 C +ATOM 46 O ILE C 15 22.067 -27.630 42.190 1.00 45.62 O +ATOM 47 CB ILE C 15 23.083 -24.835 42.767 1.00 46.22 C +ATOM 48 CG1 ILE C 15 23.245 -23.571 43.624 1.00 46.74 C +ATOM 49 CG2 ILE C 15 23.433 -24.551 41.302 1.00 46.51 C +ATOM 50 CD1 ILE C 15 24.645 -22.947 43.592 1.00 46.62 C +ATOM 51 N ASP C 16 20.562 -26.426 40.987 1.00 45.86 N +ATOM 52 CA ASP C 16 20.159 -27.525 40.105 1.00 46.16 C +ATOM 53 C ASP C 16 20.623 -27.410 38.663 1.00 46.14 C +ATOM 54 O ASP C 16 20.804 -28.422 37.990 1.00 45.69 O +ATOM 55 CB ASP C 16 18.636 -27.673 40.137 1.00 46.38 C +ATOM 56 CG ASP C 16 18.117 -27.992 41.523 1.00 46.95 C +ATOM 57 OD1 ASP C 16 18.773 -28.780 42.232 1.00 46.27 O +ATOM 58 OD2 ASP C 16 17.058 -27.455 41.907 1.00 47.73 O +ATOM 59 N GLN C 17 20.794 -26.176 38.183 1.00 46.15 N +ATOM 60 CA GLN C 17 21.210 -25.940 36.802 1.00 46.53 C +ATOM 61 C GLN C 17 21.896 -24.575 36.706 1.00 46.72 C +ATOM 62 O GLN C 17 21.336 -23.562 37.128 1.00 47.13 O +ATOM 63 CB GLN C 17 19.998 -26.013 35.851 1.00 46.36 C +ATOM 64 CG GLN C 17 20.304 -25.747 34.374 1.00 45.88 C +ATOM 65 CD GLN C 17 19.097 -25.905 33.440 1.00 47.06 C +ATOM 66 OE1 GLN C 17 17.957 -26.091 33.873 1.00 47.36 O +ATOM 67 NE2 GLN C 17 19.356 -25.834 32.138 1.00 47.52 N +ATOM 68 N VAL C 18 23.124 -24.560 36.199 1.00 46.81 N +ATOM 69 CA VAL C 18 23.812 -23.297 35.940 1.00 47.19 C +ATOM 70 C VAL C 18 24.027 -23.178 34.439 1.00 47.52 C +ATOM 71 O VAL C 18 24.554 -24.099 33.808 1.00 47.64 O +ATOM 72 CB VAL C 18 25.172 -23.174 36.676 1.00 47.09 C +ATOM 73 CG1 VAL C 18 25.829 -21.815 36.367 1.00 47.54 C +ATOM 74 CG2 VAL C 18 24.988 -23.337 38.184 1.00 47.07 C +ATOM 75 N GLU C 19 23.573 -22.065 33.871 1.00 47.84 N +ATOM 76 CA GLU C 19 23.805 -21.762 32.469 1.00 48.06 C +ATOM 77 C GLU C 19 24.816 -20.624 32.377 1.00 48.17 C +ATOM 78 O GLU C 19 24.467 -19.450 32.568 1.00 47.95 O +ATOM 79 CB GLU C 19 22.498 -21.441 31.739 1.00 48.40 C +ATOM 80 CG GLU C 19 21.538 -22.637 31.637 1.00 49.91 C +ATOM 81 CD GLU C 19 22.130 -23.821 30.874 1.00 53.17 C +ATOM 82 OE1 GLU C 19 22.899 -23.586 29.913 1.00 54.89 O +ATOM 83 OE2 GLU C 19 21.819 -24.987 31.226 1.00 53.26 O +ATOM 84 N PRO C 20 26.090 -20.977 32.128 1.00 48.17 N +ATOM 85 CA PRO C 20 27.142 -19.983 32.064 1.00 48.06 C +ATOM 86 C PRO C 20 27.292 -19.372 30.682 1.00 48.06 C +ATOM 87 O PRO C 20 27.232 -20.074 29.673 1.00 47.55 O +ATOM 88 CB PRO C 20 28.404 -20.770 32.444 1.00 48.01 C +ATOM 89 CG PRO C 20 28.036 -22.223 32.378 1.00 48.81 C +ATOM 90 CD PRO C 20 26.612 -22.338 31.921 1.00 48.52 C +ATOM 91 N TYR C 21 27.454 -18.057 30.659 1.00 47.80 N +ATOM 92 CA TYR C 21 27.713 -17.323 29.437 1.00 48.13 C +ATOM 93 C TYR C 21 29.133 -16.799 29.583 1.00 47.68 C +ATOM 94 O TYR C 21 29.896 -17.349 30.374 1.00 47.77 O +ATOM 95 CB TYR C 21 26.664 -16.224 29.245 1.00 48.78 C +ATOM 96 CG TYR C 21 25.274 -16.811 29.135 1.00 50.05 C +ATOM 97 CD1 TYR C 21 24.746 -17.163 27.895 1.00 51.01 C +ATOM 98 CD2 TYR C 21 24.504 -17.059 30.274 1.00 51.16 C +ATOM 99 CE1 TYR C 21 23.476 -17.729 27.786 1.00 52.01 C +ATOM 100 CE2 TYR C 21 23.229 -17.629 30.176 1.00 51.56 C +ATOM 101 CZ TYR C 21 22.726 -17.956 28.927 1.00 51.33 C +ATOM 102 OH TYR C 21 21.472 -18.515 28.809 1.00 52.09 O +ATOM 103 N SER C 22 29.502 -15.762 28.843 1.00 46.97 N +ATOM 104 CA SER C 22 30.868 -15.255 28.912 1.00 46.59 C +ATOM 105 C SER C 22 31.182 -14.439 30.175 1.00 46.09 C +ATOM 106 O SER C 22 32.243 -14.611 30.771 1.00 45.94 O +ATOM 107 CB SER C 22 31.230 -14.478 27.640 1.00 46.56 C +ATOM 108 OG SER C 22 30.314 -13.427 27.391 1.00 47.34 O +ATOM 109 N SER C 23 30.260 -13.574 30.588 1.00 45.58 N +ATOM 110 CA SER C 23 30.492 -12.706 31.751 1.00 45.34 C +ATOM 111 C SER C 23 29.368 -12.801 32.777 1.00 44.98 C +ATOM 112 O SER C 23 29.335 -12.043 33.753 1.00 44.36 O +ATOM 113 CB SER C 23 30.669 -11.251 31.309 1.00 45.71 C +ATOM 114 OG SER C 23 29.440 -10.707 30.866 1.00 46.63 O +ATOM 115 N THR C 24 28.451 -13.737 32.541 1.00 44.61 N +ATOM 116 CA THR C 24 27.296 -13.932 33.400 1.00 44.69 C +ATOM 117 C THR C 24 26.999 -15.419 33.507 1.00 44.84 C +ATOM 118 O THR C 24 27.461 -16.221 32.682 1.00 44.42 O +ATOM 119 CB THR C 24 26.027 -13.215 32.852 1.00 44.74 C +ATOM 120 OG1 THR C 24 25.590 -13.861 31.649 1.00 45.02 O +ATOM 121 CG2 THR C 24 26.278 -11.718 32.578 1.00 44.95 C +ATOM 122 N ALA C 25 26.230 -15.777 34.527 1.00 44.88 N +ATOM 123 CA ALA C 25 25.780 -17.136 34.714 1.00 45.36 C +ATOM 124 C ALA C 25 24.402 -17.094 35.346 1.00 45.81 C +ATOM 125 O ALA C 25 24.167 -16.349 36.306 1.00 45.55 O +ATOM 126 CB ALA C 25 26.738 -17.913 35.584 1.00 45.36 C +ATOM 127 N GLN C 26 23.485 -17.865 34.777 1.00 45.78 N +ATOM 128 CA GLN C 26 22.157 -17.998 35.343 1.00 46.16 C +ATOM 129 C GLN C 26 22.204 -19.222 36.228 1.00 46.08 C +ATOM 130 O GLN C 26 22.565 -20.319 35.781 1.00 46.40 O +ATOM 131 CB GLN C 26 21.091 -18.121 34.249 1.00 46.18 C +ATOM 132 CG GLN C 26 20.962 -16.835 33.406 1.00 47.43 C +ATOM 133 CD GLN C 26 19.963 -16.941 32.254 1.00 47.44 C +ATOM 134 OE1 GLN C 26 20.005 -16.144 31.314 1.00 51.48 O +ATOM 135 NE2 GLN C 26 19.070 -17.917 32.321 1.00 49.32 N +ATOM 136 N VAL C 27 21.865 -19.021 37.495 1.00 45.80 N +ATOM 137 CA VAL C 27 21.894 -20.086 38.476 1.00 45.59 C +ATOM 138 C VAL C 27 20.467 -20.426 38.872 1.00 45.67 C +ATOM 139 O VAL C 27 19.775 -19.599 39.458 1.00 45.72 O +ATOM 140 CB VAL C 27 22.731 -19.679 39.718 1.00 45.64 C +ATOM 141 CG1 VAL C 27 22.737 -20.792 40.767 1.00 45.97 C +ATOM 142 CG2 VAL C 27 24.164 -19.314 39.302 1.00 44.86 C +ATOM 143 N GLN C 28 20.020 -21.627 38.503 1.00 45.30 N +ATOM 144 CA GLN C 28 18.702 -22.099 38.912 1.00 45.29 C +ATOM 145 C GLN C 28 18.809 -23.009 40.104 1.00 45.21 C +ATOM 146 O GLN C 28 19.668 -23.892 40.162 1.00 45.15 O +ATOM 147 CB GLN C 28 17.957 -22.800 37.787 1.00 45.01 C +ATOM 148 CG GLN C 28 17.049 -21.856 37.022 1.00 45.10 C +ATOM 149 CD GLN C 28 16.241 -22.569 35.978 1.00 43.52 C +ATOM 150 OE1 GLN C 28 16.787 -23.347 35.206 1.00 45.79 O +ATOM 151 NE2 GLN C 28 14.930 -22.316 35.946 1.00 41.43 N +ATOM 152 N PHE C 29 17.902 -22.799 41.042 1.00 44.88 N +ATOM 153 CA PHE C 29 17.938 -23.522 42.286 1.00 45.03 C +ATOM 154 C PHE C 29 16.535 -23.906 42.708 1.00 45.27 C +ATOM 155 O PHE C 29 15.549 -23.396 42.168 1.00 44.83 O +ATOM 156 CB PHE C 29 18.569 -22.611 43.364 1.00 44.39 C +ATOM 157 CG PHE C 29 17.775 -21.356 43.640 1.00 44.09 C +ATOM 158 CD1 PHE C 29 16.768 -21.355 44.605 1.00 43.91 C +ATOM 159 CD2 PHE C 29 18.032 -20.178 42.941 1.00 43.95 C +ATOM 160 CE1 PHE C 29 16.021 -20.210 44.846 1.00 43.95 C +ATOM 161 CE2 PHE C 29 17.292 -19.021 43.180 1.00 43.40 C +ATOM 162 CZ PHE C 29 16.285 -19.036 44.139 1.00 43.80 C +ATOM 163 N ASP C 30 16.450 -24.806 43.683 1.00 45.75 N +ATOM 164 CA ASP C 30 15.181 -25.086 44.317 1.00 46.27 C +ATOM 165 C ASP C 30 15.302 -24.718 45.790 1.00 46.45 C +ATOM 166 O ASP C 30 16.392 -24.779 46.371 1.00 46.23 O +ATOM 167 CB ASP C 30 14.715 -26.537 44.101 1.00 46.00 C +ATOM 168 CG ASP C 30 15.544 -27.554 44.859 1.00 47.17 C +ATOM 169 OD1 ASP C 30 16.420 -28.183 44.235 1.00 48.02 O +ATOM 170 OD2 ASP C 30 15.305 -27.750 46.071 1.00 48.27 O +ATOM 171 N GLU C 31 14.176 -24.316 46.363 1.00 46.91 N +ATOM 172 CA GLU C 31 14.069 -23.937 47.757 1.00 47.61 C +ATOM 173 C GLU C 31 12.718 -24.453 48.245 1.00 48.02 C +ATOM 174 O GLU C 31 11.721 -24.306 47.540 1.00 48.00 O +ATOM 175 CB GLU C 31 14.157 -22.411 47.894 1.00 47.34 C +ATOM 176 CG GLU C 31 13.965 -21.862 49.316 1.00 47.95 C +ATOM 177 CD GLU C 31 15.121 -22.172 50.262 1.00 49.54 C +ATOM 178 OE1 GLU C 31 16.157 -22.697 49.815 1.00 50.42 O +ATOM 179 OE2 GLU C 31 14.992 -21.890 51.470 1.00 50.68 O +ATOM 180 N PRO C 32 12.680 -25.079 49.435 1.00 48.82 N +ATOM 181 CA PRO C 32 11.412 -25.586 49.979 1.00 49.47 C +ATOM 182 C PRO C 32 10.322 -24.518 50.045 1.00 50.15 C +ATOM 183 O PRO C 32 10.620 -23.351 50.322 1.00 49.93 O +ATOM 184 CB PRO C 32 11.795 -26.031 51.390 1.00 49.34 C +ATOM 185 CG PRO C 32 13.219 -26.405 51.272 1.00 49.30 C +ATOM 186 CD PRO C 32 13.809 -25.383 50.332 1.00 48.89 C +ATOM 187 N GLU C 33 9.079 -24.919 49.772 1.00 50.78 N +ATOM 188 CA GLU C 33 7.931 -24.005 49.802 1.00 51.66 C +ATOM 189 C GLU C 33 7.709 -23.459 51.214 1.00 52.01 C +ATOM 190 O GLU C 33 7.795 -24.203 52.195 1.00 52.10 O +ATOM 191 CB GLU C 33 6.651 -24.678 49.271 1.00 51.69 C +ATOM 192 CG GLU C 33 6.711 -25.163 47.810 1.00 52.43 C +ATOM 193 CD GLU C 33 6.950 -24.051 46.792 1.00 54.39 C +ATOM 194 OE1 GLU C 33 6.579 -22.887 47.071 1.00 56.20 O +ATOM 195 OE2 GLU C 33 7.512 -24.343 45.705 1.00 53.70 O +ATOM 196 N ALA C 34 7.427 -22.160 51.296 1.00 52.49 N +ATOM 197 CA ALA C 34 7.231 -21.462 52.570 1.00 52.89 C +ATOM 198 C ALA C 34 6.060 -22.004 53.377 1.00 53.15 C +ATOM 199 O ALA C 34 4.985 -22.278 52.833 1.00 53.41 O +ATOM 200 CB ALA C 34 7.068 -19.965 52.335 1.00 52.96 C +ATOM 201 N THR C 35 6.288 -22.157 54.681 1.00 53.27 N +ATOM 202 CA THR C 35 5.295 -22.698 55.602 1.00 53.33 C +ATOM 203 C THR C 35 5.270 -21.854 56.879 1.00 53.05 C +ATOM 204 O THR C 35 6.263 -21.201 57.219 1.00 53.09 O +ATOM 205 CB THR C 35 5.615 -24.173 55.964 1.00 53.47 C +ATOM 206 OG1 THR C 35 6.126 -24.859 54.813 1.00 54.17 O +ATOM 207 CG2 THR C 35 4.372 -24.898 56.482 1.00 53.52 C +ATOM 208 N GLY C 36 4.126 -21.860 57.561 1.00 52.79 N +ATOM 209 CA GLY C 36 3.945 -21.153 58.830 1.00 52.33 C +ATOM 210 C GLY C 36 3.850 -19.641 58.734 1.00 51.98 C +ATOM 211 O GLY C 36 3.904 -18.946 59.753 1.00 52.17 O +ATOM 212 N GLY C 37 3.702 -19.133 57.512 1.00 51.54 N +ATOM 213 CA GLY C 37 3.635 -17.694 57.267 1.00 50.64 C +ATOM 214 C GLY C 37 4.998 -17.034 57.352 1.00 50.11 C +ATOM 215 O GLY C 37 5.101 -15.848 57.679 1.00 50.16 O +ATOM 216 N VAL C 38 6.045 -17.809 57.063 1.00 49.30 N +ATOM 217 CA VAL C 38 7.421 -17.314 57.078 1.00 48.38 C +ATOM 218 C VAL C 38 8.011 -17.469 55.669 1.00 47.59 C +ATOM 219 O VAL C 38 8.758 -18.417 55.403 1.00 47.77 O +ATOM 220 CB VAL C 38 8.303 -18.052 58.131 1.00 48.57 C +ATOM 221 CG1 VAL C 38 9.637 -17.331 58.315 1.00 48.45 C +ATOM 222 CG2 VAL C 38 7.590 -18.152 59.471 1.00 48.34 C +ATOM 223 N PRO C 39 7.679 -16.533 54.758 1.00 46.46 N +ATOM 224 CA PRO C 39 8.156 -16.678 53.388 1.00 45.45 C +ATOM 225 C PRO C 39 9.632 -16.322 53.264 1.00 44.18 C +ATOM 226 O PRO C 39 10.186 -15.676 54.156 1.00 43.90 O +ATOM 227 CB PRO C 39 7.303 -15.666 52.617 1.00 45.58 C +ATOM 228 CG PRO C 39 7.004 -14.603 53.609 1.00 46.06 C +ATOM 229 CD PRO C 39 6.886 -15.299 54.937 1.00 46.46 C +ATOM 230 N ILE C 40 10.261 -16.777 52.183 1.00 42.95 N +ATOM 231 CA ILE C 40 11.633 -16.397 51.876 1.00 41.63 C +ATOM 232 C ILE C 40 11.553 -14.928 51.479 1.00 40.74 C +ATOM 233 O ILE C 40 10.662 -14.531 50.728 1.00 40.79 O +ATOM 234 CB ILE C 40 12.240 -17.222 50.709 1.00 41.63 C +ATOM 235 CG1 ILE C 40 12.005 -18.730 50.882 1.00 41.99 C +ATOM 236 CG2 ILE C 40 13.739 -16.913 50.529 1.00 40.59 C +ATOM 237 CD1 ILE C 40 12.671 -19.352 52.099 1.00 44.14 C +ATOM 238 N LEU C 41 12.456 -14.116 52.009 1.00 39.72 N +ATOM 239 CA LEU C 41 12.447 -12.687 51.705 1.00 38.50 C +ATOM 240 C LEU C 41 13.462 -12.324 50.637 1.00 37.71 C +ATOM 241 O LEU C 41 13.159 -11.565 49.713 1.00 37.13 O +ATOM 242 CB LEU C 41 12.686 -11.863 52.970 1.00 38.35 C +ATOM 243 CG LEU C 41 11.667 -12.043 54.103 1.00 38.11 C +ATOM 244 CD1 LEU C 41 12.126 -11.265 55.321 1.00 38.37 C +ATOM 245 CD2 LEU C 41 10.275 -11.608 53.672 1.00 38.24 C +ATOM 246 N LYS C 42 14.664 -12.874 50.775 1.00 37.19 N +ATOM 247 CA LYS C 42 15.763 -12.593 49.860 1.00 37.00 C +ATOM 248 C LYS C 42 16.604 -13.841 49.658 1.00 37.12 C +ATOM 249 O LYS C 42 16.515 -14.793 50.438 1.00 36.88 O +ATOM 250 CB LYS C 42 16.674 -11.499 50.440 1.00 36.75 C +ATOM 251 CG LYS C 42 15.993 -10.172 50.793 1.00 36.86 C +ATOM 252 CD LYS C 42 15.508 -9.416 49.563 1.00 36.07 C +ATOM 253 CE LYS C 42 14.592 -8.260 49.960 1.00 36.48 C +ATOM 254 NZ LYS C 42 14.178 -7.442 48.788 1.00 35.46 N +ATOM 255 N TYR C 43 17.395 -13.827 48.588 1.00 37.00 N +ATOM 256 CA TYR C 43 18.442 -14.809 48.363 1.00 37.39 C +ATOM 257 C TYR C 43 19.775 -14.078 48.284 1.00 37.62 C +ATOM 258 O TYR C 43 19.846 -12.923 47.835 1.00 37.11 O +ATOM 259 CB TYR C 43 18.211 -15.590 47.072 1.00 37.72 C +ATOM 260 CG TYR C 43 17.025 -16.497 47.153 1.00 37.87 C +ATOM 261 CD1 TYR C 43 17.114 -17.726 47.811 1.00 37.33 C +ATOM 262 CD2 TYR C 43 15.804 -16.129 46.590 1.00 37.44 C +ATOM 263 CE1 TYR C 43 16.013 -18.565 47.907 1.00 38.70 C +ATOM 264 CE2 TYR C 43 14.694 -16.961 46.685 1.00 37.89 C +ATOM 265 CZ TYR C 43 14.811 -18.179 47.340 1.00 38.44 C +ATOM 266 OH TYR C 43 13.732 -19.017 47.431 1.00 37.72 O +ATOM 267 N LYS C 44 20.826 -14.742 48.747 1.00 37.72 N +ATOM 268 CA LYS C 44 22.172 -14.203 48.615 1.00 37.87 C +ATOM 269 C LYS C 44 23.008 -15.242 47.885 1.00 37.93 C +ATOM 270 O LYS C 44 23.017 -16.412 48.260 1.00 38.23 O +ATOM 271 CB LYS C 44 22.775 -13.862 49.981 1.00 37.81 C +ATOM 272 CG LYS C 44 24.138 -13.172 49.912 1.00 37.53 C +ATOM 273 CD LYS C 44 24.721 -12.932 51.299 1.00 38.27 C +ATOM 274 CE LYS C 44 26.045 -12.209 51.172 1.00 39.84 C +ATOM 275 NZ LYS C 44 26.685 -11.781 52.463 1.00 39.89 N +ATOM 276 N ALA C 45 23.659 -14.816 46.806 1.00 37.68 N +ATOM 277 CA ALA C 45 24.561 -15.677 46.060 1.00 36.92 C +ATOM 278 C ALA C 45 25.982 -15.269 46.398 1.00 37.25 C +ATOM 279 O ALA C 45 26.258 -14.088 46.624 1.00 36.55 O +ATOM 280 CB ALA C 45 24.329 -15.539 44.575 1.00 37.19 C +ATOM 281 N GLU C 46 26.874 -16.250 46.459 1.00 37.10 N +ATOM 282 CA GLU C 46 28.295 -15.984 46.638 1.00 37.74 C +ATOM 283 C GLU C 46 29.038 -16.772 45.575 1.00 36.91 C +ATOM 284 O GLU C 46 28.664 -17.903 45.261 1.00 36.87 O +ATOM 285 CB GLU C 46 28.783 -16.395 48.029 1.00 37.69 C +ATOM 286 CG GLU C 46 28.323 -15.492 49.169 1.00 39.08 C +ATOM 287 CD GLU C 46 28.949 -15.879 50.501 1.00 39.80 C +ATOM 288 OE1 GLU C 46 29.152 -17.084 50.739 1.00 41.96 O +ATOM 289 OE2 GLU C 46 29.245 -14.974 51.311 1.00 43.23 O +ATOM 290 N TRP C 47 30.068 -16.165 45.000 1.00 36.45 N +ATOM 291 CA TRP C 47 30.876 -16.841 43.994 1.00 35.98 C +ATOM 292 C TRP C 47 32.331 -16.430 44.096 1.00 36.35 C +ATOM 293 O TRP C 47 32.664 -15.326 44.560 1.00 36.30 O +ATOM 294 CB TRP C 47 30.329 -16.606 42.583 1.00 36.03 C +ATOM 295 CG TRP C 47 30.369 -15.178 42.178 1.00 35.65 C +ATOM 296 CD1 TRP C 47 31.328 -14.563 41.424 1.00 36.37 C +ATOM 297 CD2 TRP C 47 29.429 -14.166 42.542 1.00 35.00 C +ATOM 298 NE1 TRP C 47 31.031 -13.232 41.281 1.00 35.55 N +ATOM 299 CE2 TRP C 47 29.870 -12.961 41.959 1.00 35.77 C +ATOM 300 CE3 TRP C 47 28.242 -14.166 43.294 1.00 35.40 C +ATOM 301 CZ2 TRP C 47 29.171 -11.757 42.105 1.00 36.68 C +ATOM 302 CZ3 TRP C 47 27.547 -12.971 43.439 1.00 36.13 C +ATOM 303 CH2 TRP C 47 28.015 -11.783 42.847 1.00 35.85 C +ATOM 304 N ARG C 48 33.197 -17.324 43.646 1.00 36.23 N +ATOM 305 CA ARG C 48 34.628 -17.130 43.767 1.00 36.52 C +ATOM 306 C ARG C 48 35.313 -17.918 42.668 1.00 36.35 C +ATOM 307 O ARG C 48 35.060 -19.118 42.517 1.00 36.19 O +ATOM 308 CB ARG C 48 35.075 -17.653 45.134 1.00 36.56 C +ATOM 309 CG ARG C 48 36.513 -17.396 45.480 1.00 37.53 C +ATOM 310 CD ARG C 48 36.805 -17.839 46.900 1.00 39.37 C +ATOM 311 NE ARG C 48 36.686 -19.287 47.077 1.00 39.49 N +ATOM 312 CZ ARG C 48 37.005 -19.929 48.197 1.00 39.98 C +ATOM 313 NH1 ARG C 48 37.464 -19.258 49.248 1.00 40.18 N +ATOM 314 NH2 ARG C 48 36.869 -21.244 48.266 1.00 39.94 N +ATOM 315 N ALA C 49 36.165 -17.243 41.901 1.00 36.18 N +ATOM 316 CA ALA C 49 36.955 -17.902 40.863 1.00 36.31 C +ATOM 317 C ALA C 49 37.930 -18.869 41.518 1.00 36.51 C +ATOM 318 O ALA C 49 38.566 -18.534 42.522 1.00 36.44 O +ATOM 319 CB ALA C 49 37.706 -16.877 40.020 1.00 36.24 C +ATOM 320 N VAL C 50 38.030 -20.072 40.960 1.00 36.92 N +ATOM 321 CA VAL C 50 38.942 -21.092 41.478 1.00 37.24 C +ATOM 322 C VAL C 50 40.350 -20.511 41.527 1.00 37.40 C +ATOM 323 O VAL C 50 40.864 -20.022 40.520 1.00 37.60 O +ATOM 324 CB VAL C 50 38.882 -22.396 40.641 1.00 37.19 C +ATOM 325 CG1 VAL C 50 39.973 -23.368 41.061 1.00 37.26 C +ATOM 326 CG2 VAL C 50 37.511 -23.045 40.785 1.00 37.57 C +ATOM 327 N GLY C 51 40.946 -20.530 42.717 1.00 37.60 N +ATOM 328 CA GLY C 51 42.262 -19.933 42.938 1.00 37.54 C +ATOM 329 C GLY C 51 42.193 -18.667 43.777 1.00 37.71 C +ATOM 330 O GLY C 51 43.192 -18.261 44.376 1.00 37.54 O +ATOM 331 N GLU C 52 41.016 -18.039 43.808 1.00 37.75 N +ATOM 332 CA GLU C 52 40.787 -16.835 44.613 1.00 38.03 C +ATOM 333 C GLU C 52 40.404 -17.204 46.044 1.00 37.96 C +ATOM 334 O GLU C 52 39.990 -18.332 46.311 1.00 37.86 O +ATOM 335 CB GLU C 52 39.691 -15.960 43.993 1.00 38.10 C +ATOM 336 CG GLU C 52 40.021 -15.361 42.622 1.00 39.38 C +ATOM 337 CD GLU C 52 41.058 -14.245 42.673 1.00 41.38 C +ATOM 338 OE1 GLU C 52 41.737 -14.027 41.645 1.00 42.45 O +ATOM 339 OE2 GLU C 52 41.202 -13.582 43.729 1.00 42.25 O +ATOM 340 N GLU C 53 40.544 -16.249 46.960 1.00 38.12 N +ATOM 341 CA GLU C 53 40.191 -16.471 48.361 1.00 38.39 C +ATOM 342 C GLU C 53 38.928 -15.703 48.756 1.00 38.16 C +ATOM 343 O GLU C 53 38.150 -16.160 49.596 1.00 38.32 O +ATOM 344 CB GLU C 53 41.360 -16.092 49.280 1.00 38.63 C +ATOM 345 CG GLU C 53 41.158 -16.457 50.754 1.00 40.04 C +ATOM 346 CD GLU C 53 41.050 -17.957 50.992 1.00 41.65 C +ATOM 347 OE1 GLU C 53 41.970 -18.702 50.587 1.00 42.62 O +ATOM 348 OE2 GLU C 53 40.050 -18.391 51.603 1.00 42.72 O +ATOM 349 N VAL C 54 38.729 -14.544 48.139 1.00 37.94 N +ATOM 350 CA VAL C 54 37.593 -13.686 48.453 1.00 37.67 C +ATOM 351 C VAL C 54 36.338 -14.107 47.692 1.00 37.57 C +ATOM 352 O VAL C 54 36.372 -14.278 46.470 1.00 37.67 O +ATOM 353 CB VAL C 54 37.914 -12.196 48.162 1.00 37.74 C +ATOM 354 CG1 VAL C 54 36.726 -11.305 48.495 1.00 37.78 C +ATOM 355 CG2 VAL C 54 39.137 -11.750 48.945 1.00 37.74 C +ATOM 356 N TRP C 55 35.241 -14.295 48.427 1.00 36.97 N +ATOM 357 CA TRP C 55 33.949 -14.569 47.817 1.00 36.69 C +ATOM 358 C TRP C 55 33.278 -13.257 47.460 1.00 36.68 C +ATOM 359 O TRP C 55 33.232 -12.330 48.276 1.00 36.78 O +ATOM 360 CB TRP C 55 33.030 -15.340 48.773 1.00 36.69 C +ATOM 361 CG TRP C 55 33.441 -16.743 49.008 1.00 36.21 C +ATOM 362 CD1 TRP C 55 34.326 -17.194 49.947 1.00 36.48 C +ATOM 363 CD2 TRP C 55 32.985 -17.894 48.299 1.00 36.31 C +ATOM 364 NE1 TRP C 55 34.449 -18.557 49.864 1.00 35.73 N +ATOM 365 CE2 TRP C 55 33.635 -19.014 48.861 1.00 36.45 C +ATOM 366 CE3 TRP C 55 32.085 -18.092 47.240 1.00 36.17 C +ATOM 367 CZ2 TRP C 55 33.418 -20.314 48.400 1.00 36.40 C +ATOM 368 CZ3 TRP C 55 31.868 -19.388 46.785 1.00 36.23 C +ATOM 369 CH2 TRP C 55 32.537 -20.479 47.360 1.00 36.17 C +ATOM 370 N HIS C 56 32.775 -13.163 46.237 1.00 36.12 N +ATOM 371 CA HIS C 56 31.945 -12.037 45.879 1.00 36.44 C +ATOM 372 C HIS C 56 30.520 -12.415 46.252 1.00 36.20 C +ATOM 373 O HIS C 56 30.219 -13.598 46.448 1.00 36.01 O +ATOM 374 CB HIS C 56 32.081 -11.685 44.397 1.00 36.75 C +ATOM 375 CG HIS C 56 33.435 -11.159 44.032 1.00 38.99 C +ATOM 376 ND1 HIS C 56 34.238 -11.761 43.088 1.00 42.02 N +ATOM 377 CD2 HIS C 56 34.143 -10.112 44.513 1.00 40.43 C +ATOM 378 CE1 HIS C 56 35.371 -11.091 42.984 1.00 41.22 C +ATOM 379 NE2 HIS C 56 35.339 -10.087 43.840 1.00 41.75 N +ATOM 380 N SER C 57 29.647 -11.428 46.390 1.00 35.89 N +ATOM 381 CA SER C 57 28.267 -11.732 46.744 1.00 36.15 C +ATOM 382 C SER C 57 27.292 -10.738 46.151 1.00 36.25 C +ATOM 383 O SER C 57 27.664 -9.616 45.807 1.00 35.31 O +ATOM 384 CB SER C 57 28.099 -11.758 48.264 1.00 35.95 C +ATOM 385 OG SER C 57 28.192 -10.446 48.789 1.00 36.18 O +ATOM 386 N LYS C 58 26.037 -11.162 46.052 1.00 36.33 N +ATOM 387 CA LYS C 58 24.967 -10.290 45.600 1.00 36.59 C +ATOM 388 C LYS C 58 23.657 -10.766 46.199 1.00 36.22 C +ATOM 389 O LYS C 58 23.429 -11.965 46.361 1.00 36.44 O +ATOM 390 CB LYS C 58 24.866 -10.268 44.068 1.00 36.58 C +ATOM 391 CG LYS C 58 23.811 -9.305 43.521 1.00 37.11 C +ATOM 392 CD LYS C 58 23.977 -9.092 42.026 1.00 38.03 C +ATOM 393 CE LYS C 58 22.933 -8.129 41.496 1.00 39.28 C +ATOM 394 NZ LYS C 58 23.187 -7.780 40.067 1.00 39.37 N +ATOM 395 N TRP C 59 22.804 -9.804 46.518 1.00 35.69 N +ATOM 396 CA TRP C 59 21.489 -10.085 47.047 1.00 35.85 C +ATOM 397 C TRP C 59 20.424 -10.025 45.956 1.00 35.56 C +ATOM 398 O TRP C 59 20.520 -9.225 45.014 1.00 34.94 O +ATOM 399 CB TRP C 59 21.162 -9.086 48.136 1.00 35.37 C +ATOM 400 CG TRP C 59 21.912 -9.315 49.400 1.00 35.65 C +ATOM 401 CD1 TRP C 59 23.147 -8.830 49.725 1.00 36.21 C +ATOM 402 CD2 TRP C 59 21.464 -10.063 50.530 1.00 35.72 C +ATOM 403 NE1 TRP C 59 23.495 -9.233 50.990 1.00 35.22 N +ATOM 404 CE2 TRP C 59 22.482 -9.996 51.506 1.00 36.58 C +ATOM 405 CE3 TRP C 59 20.297 -10.790 50.814 1.00 36.98 C +ATOM 406 CZ2 TRP C 59 22.370 -10.625 52.750 1.00 36.82 C +ATOM 407 CZ3 TRP C 59 20.189 -11.424 52.048 1.00 35.88 C +ATOM 408 CH2 TRP C 59 21.222 -11.335 52.998 1.00 36.45 C +ATOM 409 N TYR C 60 19.394 -10.849 46.129 1.00 36.20 N +ATOM 410 CA TYR C 60 18.297 -10.970 45.179 1.00 36.66 C +ATOM 411 C TYR C 60 16.962 -11.029 45.890 1.00 36.88 C +ATOM 412 O TYR C 60 16.829 -11.700 46.911 1.00 37.45 O +ATOM 413 CB TYR C 60 18.465 -12.245 44.350 1.00 36.31 C +ATOM 414 CG TYR C 60 19.778 -12.300 43.605 1.00 36.78 C +ATOM 415 CD1 TYR C 60 19.877 -11.861 42.284 1.00 35.59 C +ATOM 416 CD2 TYR C 60 20.924 -12.804 44.225 1.00 36.06 C +ATOM 417 CE1 TYR C 60 21.102 -11.908 41.602 1.00 36.37 C +ATOM 418 CE2 TYR C 60 22.133 -12.854 43.563 1.00 36.11 C +ATOM 419 CZ TYR C 60 22.217 -12.412 42.257 1.00 36.50 C +ATOM 420 OH TYR C 60 23.420 -12.490 41.618 1.00 37.48 O +ATOM 421 N ASP C 61 15.973 -10.327 45.350 1.00 36.56 N +ATOM 422 CA ASP C 61 14.645 -10.360 45.930 1.00 36.99 C +ATOM 423 C ASP C 61 14.050 -11.756 45.703 1.00 36.93 C +ATOM 424 O ASP C 61 14.136 -12.299 44.596 1.00 36.21 O +ATOM 425 CB ASP C 61 13.759 -9.290 45.303 1.00 36.79 C +ATOM 426 CG ASP C 61 12.409 -9.201 45.970 1.00 38.14 C +ATOM 427 OD1 ASP C 61 12.354 -8.822 47.161 1.00 37.67 O +ATOM 428 OD2 ASP C 61 11.405 -9.528 45.301 1.00 38.57 O +ATOM 429 N ALA C 62 13.471 -12.337 46.755 1.00 37.86 N +ATOM 430 CA ALA C 62 12.891 -13.676 46.669 1.00 38.69 C +ATOM 431 C ALA C 62 11.711 -13.747 45.708 1.00 39.68 C +ATOM 432 O ALA C 62 11.602 -14.701 44.927 1.00 39.82 O +ATOM 433 CB ALA C 62 12.487 -14.191 48.045 1.00 38.73 C +ATOM 434 N LYS C 63 10.823 -12.753 45.775 1.00 40.35 N +ATOM 435 CA LYS C 63 9.659 -12.693 44.891 1.00 41.48 C +ATOM 436 C LYS C 63 10.101 -12.768 43.428 1.00 41.70 C +ATOM 437 O LYS C 63 9.605 -13.598 42.668 1.00 41.79 O +ATOM 438 CB LYS C 63 8.829 -11.425 45.155 1.00 41.89 C +ATOM 439 CG LYS C 63 7.575 -11.249 44.268 1.00 43.05 C +ATOM 440 CD LYS C 63 6.396 -12.136 44.691 1.00 45.87 C +ATOM 441 CE LYS C 63 5.718 -11.638 45.966 1.00 46.94 C +ATOM 442 NZ LYS C 63 4.525 -12.463 46.325 1.00 47.58 N +ATOM 443 N GLU C 64 11.056 -11.925 43.049 1.00 42.17 N +ATOM 444 CA GLU C 64 11.570 -11.909 41.677 1.00 42.92 C +ATOM 445 C GLU C 64 12.245 -13.235 41.308 1.00 41.95 C +ATOM 446 O GLU C 64 12.022 -13.778 40.222 1.00 42.14 O +ATOM 447 CB GLU C 64 12.544 -10.739 41.474 1.00 43.05 C +ATOM 448 CG GLU C 64 13.035 -10.614 40.031 1.00 44.94 C +ATOM 449 CD GLU C 64 14.144 -9.606 39.845 1.00 45.66 C +ATOM 450 OE1 GLU C 64 14.435 -8.823 40.784 1.00 50.71 O +ATOM 451 OE2 GLU C 64 14.730 -9.592 38.742 1.00 48.90 O +ATOM 452 N ALA C 65 13.057 -13.758 42.221 1.00 40.76 N +ATOM 453 CA ALA C 65 13.754 -15.011 41.985 1.00 39.89 C +ATOM 454 C ALA C 65 12.825 -16.238 41.978 1.00 39.08 C +ATOM 455 O ALA C 65 13.169 -17.240 41.377 1.00 38.54 O +ATOM 456 CB ALA C 65 14.866 -15.207 43.006 1.00 39.90 C +ATOM 457 N SER C 66 11.660 -16.139 42.620 1.00 38.60 N +ATOM 458 CA SER C 66 10.754 -17.285 42.795 1.00 38.31 C +ATOM 459 C SER C 66 10.065 -17.788 41.529 1.00 38.34 C +ATOM 460 O SER C 66 9.757 -18.974 41.437 1.00 37.61 O +ATOM 461 CB SER C 66 9.699 -17.012 43.879 1.00 38.32 C +ATOM 462 OG ASER C 66 8.769 -16.025 43.469 0.50 37.92 O +ATOM 463 OG BSER C 66 10.308 -16.854 45.149 0.50 39.08 O +ATOM 472 N GLU C 68 11.127 -18.388 38.532 1.00 37.71 N +ATOM 473 CA GLU C 68 11.899 -19.432 37.868 1.00 37.20 C +ATOM 474 C GLU C 68 12.988 -20.046 38.750 1.00 37.02 C +ATOM 475 O GLU C 68 13.752 -20.900 38.295 1.00 36.28 O +ATOM 476 CB GLU C 68 12.495 -18.887 36.572 1.00 37.26 C +ATOM 477 CG GLU C 68 11.456 -18.652 35.499 1.00 36.64 C +ATOM 478 CD GLU C 68 12.080 -18.272 34.189 1.00 37.54 C +ATOM 479 OE1 GLU C 68 12.709 -17.196 34.122 1.00 37.35 O +ATOM 480 OE2 GLU C 68 11.937 -19.045 33.228 1.00 37.04 O +ATOM 481 N GLY C 69 13.020 -19.626 40.012 1.00 36.84 N +ATOM 482 CA GLY C 69 14.019 -20.090 40.974 1.00 38.03 C +ATOM 483 C GLY C 69 15.389 -19.787 40.410 1.00 38.57 C +ATOM 484 O GLY C 69 16.243 -20.671 40.351 1.00 38.58 O +ATOM 485 N ILE C 70 15.571 -18.550 39.940 1.00 38.92 N +ATOM 486 CA ILE C 70 16.805 -18.145 39.281 1.00 40.33 C +ATOM 487 C ILE C 70 17.402 -16.901 39.905 1.00 39.51 C +ATOM 488 O ILE C 70 16.679 -15.974 40.300 1.00 39.11 O +ATOM 489 CB ILE C 70 16.606 -17.748 37.775 1.00 40.26 C +ATOM 490 CG1 ILE C 70 16.127 -18.900 36.911 1.00 42.22 C +ATOM 491 CG2 ILE C 70 17.918 -17.239 37.165 1.00 42.65 C +ATOM 492 CD1 ILE C 70 16.090 -18.536 35.424 1.00 41.52 C +ATOM 493 N VAL C 71 18.727 -16.894 39.976 1.00 39.47 N +ATOM 494 CA VAL C 71 19.490 -15.661 40.229 1.00 39.08 C +ATOM 495 C VAL C 71 20.561 -15.623 39.148 1.00 39.20 C +ATOM 496 O VAL C 71 21.083 -16.677 38.744 1.00 39.42 O +ATOM 497 CB VAL C 71 20.121 -15.591 41.643 1.00 38.77 C +ATOM 498 CG1 VAL C 71 19.036 -15.580 42.720 1.00 38.77 C +ATOM 499 CG2 VAL C 71 21.102 -16.728 41.876 1.00 39.72 C +ATOM 500 N THR C 72 20.844 -14.430 38.638 1.00 39.17 N +ATOM 501 CA THR C 72 21.853 -14.244 37.608 1.00 39.33 C +ATOM 502 C THR C 72 23.072 -13.526 38.196 1.00 39.58 C +ATOM 503 O THR C 72 22.951 -12.479 38.847 1.00 38.92 O +ATOM 504 CB THR C 72 21.284 -13.475 36.394 1.00 39.58 C +ATOM 505 OG1 THR C 72 20.198 -14.233 35.834 1.00 39.93 O +ATOM 506 CG2 THR C 72 22.356 -13.256 35.320 1.00 39.51 C +ATOM 507 N ILE C 73 24.237 -14.130 37.992 1.00 39.53 N +ATOM 508 CA ILE C 73 25.488 -13.555 38.445 1.00 40.05 C +ATOM 509 C ILE C 73 26.121 -12.852 37.250 1.00 40.37 C +ATOM 510 O ILE C 73 26.169 -13.415 36.156 1.00 39.96 O +ATOM 511 CB ILE C 73 26.425 -14.639 39.009 1.00 40.31 C +ATOM 512 CG1 ILE C 73 25.809 -15.260 40.270 1.00 40.85 C +ATOM 513 CG2 ILE C 73 27.780 -14.038 39.342 1.00 40.98 C +ATOM 514 CD1 ILE C 73 26.531 -16.486 40.782 1.00 41.60 C +ATOM 515 N VAL C 74 26.585 -11.621 37.459 1.00 39.92 N +ATOM 516 CA VAL C 74 27.170 -10.829 36.388 1.00 40.22 C +ATOM 517 C VAL C 74 28.578 -10.352 36.749 1.00 40.06 C +ATOM 518 O VAL C 74 29.021 -10.495 37.891 1.00 40.18 O +ATOM 519 CB VAL C 74 26.266 -9.611 36.001 1.00 40.32 C +ATOM 520 CG1 VAL C 74 24.843 -10.075 35.664 1.00 39.90 C +ATOM 521 CG2 VAL C 74 26.239 -8.549 37.115 1.00 40.19 C +ATOM 522 N GLY C 75 29.269 -9.796 35.763 1.00 39.88 N +ATOM 523 CA GLY C 75 30.602 -9.226 35.959 1.00 39.71 C +ATOM 524 C GLY C 75 31.684 -10.275 36.097 1.00 39.55 C +ATOM 525 O GLY C 75 32.738 -10.015 36.685 1.00 39.29 O +ATOM 526 N LEU C 76 31.424 -11.457 35.541 1.00 38.87 N +ATOM 527 CA LEU C 76 32.366 -12.567 35.598 1.00 39.16 C +ATOM 528 C LEU C 76 33.405 -12.475 34.501 1.00 39.17 C +ATOM 529 O LEU C 76 33.186 -11.830 33.476 1.00 38.97 O +ATOM 530 CB LEU C 76 31.633 -13.908 35.482 1.00 39.07 C +ATOM 531 CG LEU C 76 30.541 -14.168 36.516 1.00 39.70 C +ATOM 532 CD1 LEU C 76 29.903 -15.507 36.253 1.00 38.85 C +ATOM 533 CD2 LEU C 76 31.095 -14.096 37.939 1.00 40.85 C +ATOM 534 N LYS C 77 34.538 -13.127 34.732 1.00 39.25 N +ATOM 535 CA LYS C 77 35.610 -13.175 33.754 1.00 39.66 C +ATOM 536 C LYS C 77 35.377 -14.372 32.835 1.00 39.41 C +ATOM 537 O LYS C 77 34.938 -15.429 33.299 1.00 39.40 O +ATOM 538 CB LYS C 77 36.969 -13.263 34.450 1.00 39.95 C +ATOM 539 CG LYS C 77 37.221 -12.117 35.431 1.00 41.63 C +ATOM 540 CD LYS C 77 38.697 -11.924 35.754 1.00 44.87 C +ATOM 541 CE LYS C 77 39.303 -13.118 36.474 1.00 46.20 C +ATOM 542 NZ LYS C 77 40.715 -12.815 36.855 1.00 47.87 N +ATOM 543 N PRO C 78 35.650 -14.207 31.524 1.00 39.27 N +ATOM 544 CA PRO C 78 35.442 -15.280 30.547 1.00 38.97 C +ATOM 545 C PRO C 78 36.391 -16.460 30.765 1.00 38.73 C +ATOM 546 O PRO C 78 37.441 -16.295 31.386 1.00 38.73 O +ATOM 547 CB PRO C 78 35.757 -14.602 29.202 1.00 39.01 C +ATOM 548 CG PRO C 78 35.749 -13.140 29.474 1.00 39.34 C +ATOM 549 CD PRO C 78 36.181 -12.987 30.888 1.00 39.31 C +ATOM 550 N GLU C 79 36.007 -17.635 30.262 1.00 38.44 N +ATOM 551 CA GLU C 79 36.825 -18.857 30.346 1.00 38.25 C +ATOM 552 C GLU C 79 37.442 -19.063 31.732 1.00 38.00 C +ATOM 553 O GLU C 79 38.628 -19.369 31.867 1.00 37.94 O +ATOM 554 CB GLU C 79 37.908 -18.852 29.252 1.00 38.22 C +ATOM 555 N THR C 80 36.616 -18.896 32.758 1.00 37.79 N +ATOM 556 CA THR C 80 37.068 -18.971 34.136 1.00 37.66 C +ATOM 557 C THR C 80 36.145 -19.890 34.911 1.00 37.67 C +ATOM 558 O THR C 80 34.923 -19.820 34.765 1.00 37.79 O +ATOM 559 CB THR C 80 37.088 -17.554 34.787 1.00 37.77 C +ATOM 560 OG1 THR C 80 37.900 -16.680 33.995 1.00 38.16 O +ATOM 561 CG2 THR C 80 37.640 -17.589 36.213 1.00 37.77 C +ATOM 562 N THR C 81 36.733 -20.762 35.723 1.00 37.51 N +ATOM 563 CA THR C 81 35.951 -21.641 36.576 1.00 37.20 C +ATOM 564 C THR C 81 35.641 -20.926 37.890 1.00 37.14 C +ATOM 565 O THR C 81 36.525 -20.325 38.507 1.00 36.97 O +ATOM 566 CB THR C 81 36.667 -22.975 36.838 1.00 37.20 C +ATOM 567 OG1 THR C 81 37.059 -23.556 35.591 1.00 36.84 O +ATOM 568 CG2 THR C 81 35.746 -23.938 37.551 1.00 37.40 C +ATOM 569 N TYR C 82 34.377 -20.989 38.295 1.00 36.91 N +ATOM 570 CA TYR C 82 33.905 -20.366 39.522 1.00 36.88 C +ATOM 571 C TYR C 82 33.189 -21.360 40.422 1.00 37.01 C +ATOM 572 O TYR C 82 32.533 -22.288 39.949 1.00 36.72 O +ATOM 573 CB TYR C 82 32.896 -19.264 39.205 1.00 37.17 C +ATOM 574 CG TYR C 82 33.471 -18.014 38.610 1.00 37.24 C +ATOM 575 CD1 TYR C 82 33.869 -16.950 39.423 1.00 36.79 C +ATOM 576 CD2 TYR C 82 33.592 -17.879 37.234 1.00 36.94 C +ATOM 577 CE1 TYR C 82 34.397 -15.791 38.872 1.00 36.78 C +ATOM 578 CE2 TYR C 82 34.111 -16.738 36.677 1.00 36.88 C +ATOM 579 CZ TYR C 82 34.511 -15.696 37.498 1.00 37.05 C +ATOM 580 OH TYR C 82 35.020 -14.569 36.927 1.00 37.73 O +ATOM 581 N ALA C 83 33.316 -21.143 41.726 1.00 36.82 N +ATOM 582 CA ALA C 83 32.514 -21.853 42.697 1.00 36.68 C +ATOM 583 C ALA C 83 31.359 -20.903 42.989 1.00 36.72 C +ATOM 584 O ALA C 83 31.552 -19.693 43.036 1.00 36.14 O +ATOM 585 CB ALA C 83 33.311 -22.136 43.952 1.00 36.47 C +ATOM 586 N VAL C 84 30.158 -21.444 43.156 1.00 36.86 N +ATOM 587 CA VAL C 84 28.996 -20.619 43.486 1.00 36.82 C +ATOM 588 C VAL C 84 28.169 -21.329 44.545 1.00 36.84 C +ATOM 589 O VAL C 84 28.066 -22.558 44.548 1.00 36.44 O +ATOM 590 CB VAL C 84 28.138 -20.244 42.235 1.00 36.80 C +ATOM 591 CG1 VAL C 84 27.651 -21.492 41.489 1.00 37.39 C +ATOM 592 CG2 VAL C 84 26.948 -19.379 42.633 1.00 37.27 C +ATOM 593 N ARG C 85 27.612 -20.548 45.463 1.00 36.60 N +ATOM 594 CA ARG C 85 26.758 -21.083 46.514 1.00 36.41 C +ATOM 595 C ARG C 85 25.674 -20.058 46.829 1.00 36.72 C +ATOM 596 O ARG C 85 25.812 -18.875 46.489 1.00 36.78 O +ATOM 597 CB ARG C 85 27.581 -21.447 47.750 1.00 36.16 C +ATOM 598 CG ARG C 85 28.466 -20.320 48.265 1.00 35.72 C +ATOM 599 CD ARG C 85 29.366 -20.796 49.386 1.00 36.85 C +ATOM 600 NE ARG C 85 29.992 -19.664 50.065 1.00 37.00 N +ATOM 601 CZ ARG C 85 30.891 -19.770 51.037 1.00 38.13 C +ATOM 602 NH1 ARG C 85 31.281 -20.965 51.462 1.00 38.31 N +ATOM 603 NH2 ARG C 85 31.394 -18.675 51.587 1.00 38.42 N +ATOM 604 N LEU C 86 24.593 -20.516 47.456 1.00 36.76 N +ATOM 605 CA LEU C 86 23.446 -19.664 47.734 1.00 37.43 C +ATOM 606 C LEU C 86 22.929 -19.851 49.145 1.00 37.90 C +ATOM 607 O LEU C 86 23.061 -20.923 49.731 1.00 37.92 O +ATOM 608 CB LEU C 86 22.299 -19.970 46.759 1.00 37.98 C +ATOM 609 CG LEU C 86 22.539 -20.011 45.254 1.00 39.59 C +ATOM 610 CD1 LEU C 86 21.289 -20.516 44.548 1.00 41.06 C +ATOM 611 CD2 LEU C 86 22.949 -18.642 44.699 1.00 41.20 C +ATOM 612 N ALA C 87 22.354 -18.783 49.683 1.00 38.11 N +ATOM 613 CA ALA C 87 21.669 -18.820 50.959 1.00 38.45 C +ATOM 614 C ALA C 87 20.326 -18.116 50.776 1.00 38.66 C +ATOM 615 O ALA C 87 20.164 -17.302 49.865 1.00 38.47 O +ATOM 616 CB ALA C 87 22.502 -18.142 52.044 1.00 38.39 C +ATOM 617 N ALA C 88 19.361 -18.449 51.622 1.00 38.72 N +ATOM 618 CA ALA C 88 18.051 -17.810 51.587 1.00 39.15 C +ATOM 619 C ALA C 88 17.827 -17.049 52.886 1.00 39.55 C +ATOM 620 O ALA C 88 18.293 -17.470 53.941 1.00 39.84 O +ATOM 621 CB ALA C 88 16.960 -18.849 51.382 1.00 39.09 C +ATOM 622 N LEU C 89 17.115 -15.927 52.799 1.00 40.11 N +ATOM 623 CA LEU C 89 16.804 -15.091 53.959 1.00 40.66 C +ATOM 624 C LEU C 89 15.304 -15.062 54.226 1.00 41.06 C +ATOM 625 O LEU C 89 14.512 -14.835 53.311 1.00 41.00 O +ATOM 626 CB LEU C 89 17.297 -13.656 53.728 1.00 40.59 C +ATOM 627 CG LEU C 89 17.000 -12.589 54.793 1.00 40.48 C +ATOM 628 CD1 LEU C 89 17.903 -12.769 55.991 1.00 40.84 C +ATOM 629 CD2 LEU C 89 17.175 -11.173 54.236 1.00 40.80 C +ATOM 630 N ASN C 90 14.915 -15.303 55.476 1.00 41.67 N +ATOM 631 CA ASN C 90 13.518 -15.143 55.869 1.00 42.26 C +ATOM 632 C ASN C 90 13.416 -14.192 57.062 1.00 42.81 C +ATOM 633 O ASN C 90 14.391 -13.512 57.390 1.00 42.95 O +ATOM 634 CB ASN C 90 12.815 -16.498 56.108 1.00 42.28 C +ATOM 635 CG ASN C 90 13.327 -17.247 57.342 1.00 42.61 C +ATOM 636 OD1 ASN C 90 14.114 -16.730 58.137 1.00 42.98 O +ATOM 637 ND2 ASN C 90 12.863 -18.481 57.503 1.00 42.68 N +ATOM 638 N GLY C 91 12.245 -14.135 57.693 1.00 43.32 N +ATOM 639 CA GLY C 91 12.036 -13.282 58.862 1.00 44.07 C +ATOM 640 C GLY C 91 12.955 -13.647 60.015 1.00 44.60 C +ATOM 641 O GLY C 91 13.493 -12.766 60.689 1.00 44.88 O +ATOM 642 N LYS C 92 13.140 -14.950 60.226 1.00 44.97 N +ATOM 643 CA LYS C 92 13.992 -15.475 61.297 1.00 45.31 C +ATOM 644 C LYS C 92 15.490 -15.233 61.068 1.00 45.53 C +ATOM 645 O LYS C 92 16.291 -15.357 61.997 1.00 45.61 O +ATOM 646 CB LYS C 92 13.713 -16.965 61.512 1.00 45.30 C +ATOM 647 N GLY C 93 15.865 -14.896 59.834 1.00 45.86 N +ATOM 648 CA GLY C 93 17.259 -14.597 59.508 1.00 46.06 C +ATOM 649 C GLY C 93 17.799 -15.298 58.276 1.00 46.30 C +ATOM 650 O GLY C 93 17.047 -15.900 57.501 1.00 46.18 O +ATOM 651 N LEU C 94 19.113 -15.194 58.089 1.00 46.50 N +ATOM 652 CA LEU C 94 19.793 -15.820 56.961 1.00 46.69 C +ATOM 653 C LEU C 94 20.077 -17.281 57.289 1.00 46.79 C +ATOM 654 O LEU C 94 20.612 -17.597 58.357 1.00 46.74 O +ATOM 655 CB LEU C 94 21.090 -15.068 56.623 1.00 46.71 C +ATOM 656 CG LEU C 94 21.901 -15.453 55.377 1.00 46.82 C +ATOM 657 CD1 LEU C 94 21.125 -15.230 54.071 1.00 46.36 C +ATOM 658 CD2 LEU C 94 23.215 -14.685 55.347 1.00 46.85 C +ATOM 659 N GLY C 95 19.696 -18.164 56.371 1.00 46.80 N +ATOM 660 CA GLY C 95 19.912 -19.596 56.538 1.00 47.11 C +ATOM 661 C GLY C 95 21.301 -20.003 56.093 1.00 47.24 C +ATOM 662 O GLY C 95 22.072 -19.175 55.592 1.00 47.35 O +ATOM 663 N GLU C 96 21.616 -21.283 56.269 1.00 47.25 N +ATOM 664 CA GLU C 96 22.924 -21.819 55.904 1.00 47.51 C +ATOM 665 C GLU C 96 23.179 -21.698 54.403 1.00 47.75 C +ATOM 666 O GLU C 96 22.269 -21.887 53.591 1.00 47.44 O +ATOM 667 CB GLU C 96 23.049 -23.269 56.353 1.00 47.50 C +ATOM 668 N ILE C 97 24.418 -21.357 54.052 1.00 47.99 N +ATOM 669 CA ILE C 97 24.828 -21.276 52.657 1.00 48.45 C +ATOM 670 C ILE C 97 24.898 -22.708 52.115 1.00 48.37 C +ATOM 671 O ILE C 97 25.240 -23.638 52.847 1.00 48.45 O +ATOM 672 CB ILE C 97 26.191 -20.526 52.492 1.00 48.43 C +ATOM 673 CG1 ILE C 97 26.389 -20.037 51.055 1.00 49.25 C +ATOM 674 CG2 ILE C 97 27.376 -21.373 52.965 1.00 48.83 C +ATOM 675 CD1 ILE C 97 25.897 -18.628 50.782 1.00 50.30 C +ATOM 676 N SER C 98 24.550 -22.880 50.844 1.00 48.44 N +ATOM 677 CA SER C 98 24.570 -24.192 50.208 1.00 48.30 C +ATOM 678 C SER C 98 25.999 -24.646 49.966 1.00 48.42 C +ATOM 679 O SER C 98 26.940 -23.856 50.084 1.00 48.34 O +ATOM 680 CB SER C 98 23.833 -24.134 48.871 1.00 48.29 C +ATOM 681 OG SER C 98 24.562 -23.371 47.919 1.00 47.52 O +ATOM 682 N ALA C 99 26.154 -25.923 49.627 1.00 48.59 N +ATOM 683 CA ALA C 99 27.442 -26.456 49.210 1.00 48.69 C +ATOM 684 C ALA C 99 27.771 -25.766 47.890 1.00 48.68 C +ATOM 685 O ALA C 99 26.870 -25.314 47.182 1.00 48.86 O +ATOM 686 CB ALA C 99 27.368 -27.962 49.031 1.00 48.58 C +ATOM 687 N ALA C 100 29.053 -25.665 47.567 1.00 48.76 N +ATOM 688 CA ALA C 100 29.462 -24.955 46.366 1.00 48.90 C +ATOM 689 C ALA C 100 29.298 -25.793 45.106 1.00 48.98 C +ATOM 690 O ALA C 100 29.689 -26.963 45.065 1.00 48.94 O +ATOM 691 CB ALA C 100 30.896 -24.455 46.501 1.00 48.92 C +ATOM 692 N SER C 101 28.678 -25.190 44.097 1.00 49.07 N +ATOM 693 CA SER C 101 28.596 -25.781 42.771 1.00 49.14 C +ATOM 694 C SER C 101 29.675 -25.116 41.936 1.00 49.15 C +ATOM 695 O SER C 101 30.119 -24.012 42.252 1.00 49.40 O +ATOM 696 CB SER C 101 27.216 -25.566 42.151 1.00 49.12 C +ATOM 697 OG SER C 101 26.266 -26.436 42.739 1.00 49.54 O +ATOM 698 N GLU C 102 30.107 -25.785 40.877 1.00 48.91 N +ATOM 699 CA GLU C 102 31.171 -25.253 40.049 1.00 48.87 C +ATOM 700 C GLU C 102 30.705 -25.113 38.605 1.00 48.64 C +ATOM 701 O GLU C 102 30.020 -25.991 38.084 1.00 48.69 O +ATOM 702 CB GLU C 102 32.385 -26.173 40.132 1.00 48.96 C +ATOM 703 CG GLU C 102 33.705 -25.458 39.999 1.00 49.57 C +ATOM 704 CD GLU C 102 34.889 -26.352 40.298 1.00 50.24 C +ATOM 705 OE1 GLU C 102 35.483 -26.202 41.386 1.00 50.33 O +ATOM 706 OE2 GLU C 102 35.213 -27.217 39.457 1.00 51.05 O +ATOM 707 N PHE C 103 31.056 -23.994 37.978 1.00 48.36 N +ATOM 708 CA PHE C 103 30.755 -23.769 36.561 1.00 47.91 C +ATOM 709 C PHE C 103 31.911 -23.040 35.904 1.00 47.08 C +ATOM 710 O PHE C 103 32.740 -22.445 36.589 1.00 47.45 O +ATOM 711 CB PHE C 103 29.438 -23.000 36.366 1.00 48.07 C +ATOM 712 CG PHE C 103 29.473 -21.578 36.849 1.00 48.44 C +ATOM 713 CD1 PHE C 103 29.870 -20.547 35.999 1.00 48.67 C +ATOM 714 CD2 PHE C 103 29.096 -21.260 38.149 1.00 48.44 C +ATOM 715 CE1 PHE C 103 29.901 -19.242 36.439 1.00 48.93 C +ATOM 716 CE2 PHE C 103 29.120 -19.947 38.592 1.00 49.32 C +ATOM 717 CZ PHE C 103 29.523 -18.938 37.740 1.00 49.05 C +ATOM 718 N LYS C 104 31.967 -23.095 34.578 1.00 46.24 N +ATOM 719 CA LYS C 104 32.992 -22.394 33.823 1.00 45.48 C +ATOM 720 C LYS C 104 32.332 -21.484 32.801 1.00 45.13 C +ATOM 721 O LYS C 104 31.476 -21.916 32.036 1.00 44.72 O +ATOM 722 CB LYS C 104 33.940 -23.378 33.129 1.00 45.59 C +ATOM 723 CG LYS C 104 35.175 -22.728 32.512 1.00 45.13 C +ATOM 724 CD LYS C 104 36.059 -23.756 31.805 1.00 45.27 C +ATOM 725 CE LYS C 104 37.302 -23.103 31.234 1.00 44.85 C +ATOM 726 NZ LYS C 104 38.177 -24.077 30.519 1.00 45.28 N +ATOM 727 N THR C 105 32.732 -20.219 32.805 1.00 44.89 N +ATOM 728 CA THR C 105 32.203 -19.239 31.858 1.00 44.87 C +ATOM 729 C THR C 105 32.701 -19.504 30.438 1.00 45.20 C +ATOM 730 O THR C 105 33.764 -20.096 30.243 1.00 44.92 O +ATOM 731 CB THR C 105 32.576 -17.803 32.270 1.00 44.77 C +ATOM 732 OG1 THR C 105 33.959 -17.760 32.638 1.00 44.40 O +ATOM 733 CG2 THR C 105 31.731 -17.352 33.450 1.00 44.44 C +ATOM 734 N GLN C 106 31.916 -19.067 29.456 1.00 45.74 N +ATOM 735 CA GLN C 106 32.264 -19.203 28.040 1.00 46.37 C +ATOM 736 C GLN C 106 33.404 -18.237 27.681 1.00 46.55 C +ATOM 737 O GLN C 106 33.552 -17.194 28.325 1.00 46.63 O +ATOM 738 CB GLN C 106 31.032 -18.939 27.169 1.00 46.30 C +ATOM 739 CG GLN C 106 29.867 -19.894 27.428 1.00 46.70 C +ATOM 740 CD GLN C 106 28.602 -19.536 26.652 1.00 47.03 C +ATOM 741 OE1 GLN C 106 28.558 -18.551 25.906 1.00 48.20 O +ATOM 742 NE2 GLN C 106 27.561 -20.342 26.830 1.00 47.88 N +ATOM 743 N PRO C 107 34.213 -18.578 26.653 1.00 46.99 N +ATOM 744 CA PRO C 107 35.376 -17.761 26.285 1.00 47.22 C +ATOM 745 C PRO C 107 35.107 -16.518 25.414 1.00 47.57 C +ATOM 746 O PRO C 107 36.068 -15.905 24.936 1.00 47.66 O +ATOM 747 CB PRO C 107 36.250 -18.754 25.511 1.00 47.29 C +ATOM 748 CG PRO C 107 35.269 -19.650 24.846 1.00 47.06 C +ATOM 749 CD PRO C 107 34.093 -19.770 25.788 1.00 46.94 C +ATOM 750 N VAL C 108 33.838 -16.143 25.231 1.00 47.74 N +ATOM 751 CA VAL C 108 33.433 -15.017 24.348 1.00 48.12 C +ATOM 752 C VAL C 108 33.594 -15.361 22.856 1.00 48.28 C +ATOM 753 O VAL C 108 32.645 -15.259 22.073 1.00 48.48 O +ATOM 754 CB VAL C 108 34.169 -13.661 24.649 1.00 48.06 C +ATOM 755 CG1 VAL C 108 33.605 -12.539 23.787 1.00 48.19 C +ATOM 756 CG2 VAL C 108 34.061 -13.277 26.108 1.00 48.28 C Added: SwiftApps/modFTdock/input/2eaq-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2eaq-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2eaq-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,705 @@ +ATOM 1 N GLN A1037 46.370 1.402 -6.368 1.00 37.36 N +ATOM 2 CA GLN A1037 46.028 2.443 -7.384 1.00 35.54 C +ATOM 3 C GLN A1037 45.538 3.719 -6.673 1.00 33.74 C +ATOM 4 O GLN A1037 45.437 4.782 -7.297 1.00 35.45 O +ATOM 5 CB GLN A1037 44.957 1.889 -8.320 1.00 39.50 C +ATOM 6 CG GLN A1037 45.062 2.326 -9.774 1.00 41.77 C +ATOM 7 CD GLN A1037 44.167 1.489 -10.689 1.00 44.21 C +ATOM 8 OE1 GLN A1037 42.990 1.266 -10.389 1.00 45.20 O +ATOM 9 NE2 GLN A1037 44.720 1.028 -11.812 1.00 45.92 N +ATOM 10 N PHE A1038 45.239 3.637 -5.375 1.00 29.41 N +ATOM 11 CA PHE A1038 44.822 4.856 -4.697 1.00 24.24 C +ATOM 12 C PHE A1038 45.994 5.399 -3.905 1.00 22.28 C +ATOM 13 O PHE A1038 46.869 4.636 -3.491 1.00 20.07 O +ATOM 14 CB PHE A1038 43.639 4.614 -3.766 1.00 26.88 C +ATOM 15 CG PHE A1038 44.007 4.129 -2.389 1.00 30.64 C +ATOM 16 CD1 PHE A1038 43.537 2.903 -1.938 1.00 32.49 C +ATOM 17 CD2 PHE A1038 44.752 4.934 -1.502 1.00 32.77 C +ATOM 18 CE1 PHE A1038 43.794 2.475 -0.626 1.00 33.97 C +ATOM 19 CE2 PHE A1038 45.016 4.521 -0.186 1.00 32.27 C +ATOM 20 CZ PHE A1038 44.542 3.299 0.252 1.00 33.62 C +ATOM 21 N SER A1039 46.016 6.719 -3.728 1.00 15.89 N +ATOM 22 CA SER A1039 47.043 7.395 -2.952 1.00 15.25 C +ATOM 23 C SER A1039 46.388 8.174 -1.851 1.00 14.90 C +ATOM 24 O SER A1039 45.336 8.778 -2.077 1.00 15.23 O +ATOM 25 CB SER A1039 47.804 8.375 -3.812 1.00 19.10 C +ATOM 26 OG SER A1039 48.378 7.685 -4.907 1.00 23.45 O +ATOM 27 N ASP A1040 46.955 8.117 -0.665 1.00 13.37 N +ATOM 28 CA ASP A1040 46.494 8.871 0.475 1.00 10.21 C +ATOM 29 C ASP A1040 47.271 10.156 0.454 1.00 10.80 C +ATOM 30 O ASP A1040 48.467 10.142 0.125 1.00 11.60 O +ATOM 31 CB ASP A1040 46.768 8.169 1.807 1.00 13.94 C +ATOM 32 CG ASP A1040 45.797 7.061 2.069 1.00 19.38 C +ATOM 33 OD1 ASP A1040 44.686 7.165 1.540 1.00 22.52 O +ATOM 34 OD2 ASP A1040 46.128 6.096 2.782 1.00 22.54 O +ATOM 35 N MET A1041 46.614 11.268 0.777 1.00 10.11 N +ATOM 36 CA MET A1041 47.306 12.559 0.798 1.00 9.14 C +ATOM 37 C MET A1041 46.610 13.510 1.750 1.00 8.32 C +ATOM 38 O MET A1041 45.481 13.240 2.203 1.00 8.94 O +ATOM 39 CB MET A1041 47.387 13.147 -0.574 1.00 11.47 C +ATOM 40 CG MET A1041 46.017 13.373 -1.191 1.00 14.25 C +ATOM 41 SD MET A1041 45.754 13.758 -3.014 1.00 13.46 S +ATOM 42 CE MET A1041 46.633 13.277 -3.494 1.00 11.39 C +ATOM 43 N ARG A1042 47.295 14.594 2.096 1.00 6.59 N +ATOM 44 CA ARG A1042 46.788 15.588 3.030 1.00 5.90 C +ATOM 45 C ARG A1042 46.657 16.874 2.257 1.00 7.31 C +ATOM 46 O ARG A1042 47.586 17.225 1.515 1.00 11.31 O +ATOM 47 CB ARG A1042 47.769 15.736 4.212 1.00 8.38 C +ATOM 48 CG ARG A1042 47.357 16.640 5.324 1.00 9.75 C +ATOM 49 CD ARG A1042 48.217 16.237 6.538 1.00 11.32 C +ATOM 50 NE ARG A1042 47.631 15.022 7.143 1.00 13.06 N +ATOM 51 CZ ARG A1042 48.200 14.280 8.102 1.00 14.78 C +ATOM 52 NH1 ARG A1042 49.408 14.595 8.586 1.00 16.05 N +ATOM 53 NH2 ARG A1042 47.553 13.227 8.610 1.00 16.53 N +ATOM 54 N ILE A1043 45.532 17.574 2.337 1.00 5.84 N +ATOM 55 CA ILE A1043 45.351 18.810 1.581 1.00 5.99 C +ATOM 56 C ILE A1043 44.988 19.932 2.536 1.00 5.47 C +ATOM 57 O ILE A1043 44.027 19.808 3.295 1.00 7.36 O +ATOM 58 CB ILE A1043 44.256 18.624 0.546 1.00 5.29 C +ATOM 59 CG1 ILE A1043 44.623 17.479 -0.409 1.00 7.55 C +ATOM 60 CG2 ILE A1043 44.020 19.957 -0.239 1.00 7.68 C +ATOM 61 CD1 ILE A1043 43.557 17.248 -1.552 1.00 8.59 C +ATOM 62 N SER A1044 45.748 21.018 2.527 1.00 4.83 N +ATOM 63 CA SER A1044 45.495 22.139 3.409 1.00 6.13 C +ATOM 64 C SER A1044 44.737 23.223 2.674 1.00 6.67 C +ATOM 65 O SER A1044 45.130 23.624 1.592 1.00 7.12 O +ATOM 66 CB SER A1044 46.834 22.679 3.884 1.00 8.24 C +ATOM 67 OG SER A1044 46.530 23.675 4.920 1.00 11.08 O +ATOM 68 N ILE A1045 43.616 23.631 3.259 1.00 5.34 N +ATOM 69 CA ILE A1045 42.713 24.658 2.667 1.00 6.78 C +ATOM 70 C ILE A1045 42.554 25.717 3.751 1.00 6.27 C +ATOM 71 O ILE A1045 42.397 25.386 4.923 1.00 6.02 O +ATOM 72 CB ILE A1045 41.318 24.058 2.248 1.00 5.76 C +ATOM 73 CG1 ILE A1045 41.570 22.734 1.517 1.00 6.10 C +ATOM 74 CG2 ILE A1045 40.572 25.067 1.388 1.00 7.22 C +ATOM 75 CD1 ILE A1045 40.296 22.067 1.017 1.00 9.39 C +ATOM 76 N ASN A1046 42.617 26.987 3.378 1.00 4.83 N +ATOM 77 CA ASN A1046 42.565 28.087 4.368 1.00 5.37 C +ATOM 78 C ASN A1046 41.806 29.263 3.858 1.00 6.24 C +ATOM 79 O ASN A1046 41.916 29.583 2.666 1.00 9.27 O +ATOM 80 CB ASN A1046 43.983 28.573 4.699 1.00 5.54 C +ATOM 81 CG ASN A1046 44.846 27.473 5.255 1.00 5.07 C +ATOM 82 OD1 ASN A1046 44.823 27.194 6.450 1.00 6.01 O +ATOM 83 ND2 ASN A1046 45.588 26.809 4.391 1.00 5.90 N +ATOM 84 N GLN A1047 41.008 29.908 4.718 1.00 5.71 N +ATOM 85 CA GLN A1047 40.320 31.138 4.324 1.00 7.18 C +ATOM 86 C GLN A1047 40.120 31.967 5.577 1.00 6.63 C +ATOM 87 O GLN A1047 40.510 31.538 6.659 1.00 5.72 O +ATOM 88 CB GLN A1047 38.999 30.818 3.577 1.00 7.33 C +ATOM 89 CG GLN A1047 37.967 30.119 4.450 1.00 7.40 C +ATOM 90 CD GLN A1047 36.690 29.842 3.763 1.00 7.49 C +ATOM 91 OE1 GLN A1047 35.644 29.803 4.447 1.00 12.31 O +ATOM 92 NE2 GLN A1047 36.705 29.707 2.505 1.00 7.14 N +ATOM 93 N THR A1048 39.581 33.165 5.425 1.00 7.23 N +ATOM 94 CA THR A1048 39.433 34.034 6.605 1.00 6.06 C +ATOM 95 C THR A1048 38.582 33.408 7.679 1.00 8.46 C +ATOM 96 O THR A1048 37.535 32.832 7.373 1.00 7.58 O +ATOM 97 CB THR A1048 38.762 35.299 6.174 1.00 7.80 C +ATOM 98 OG1 THR A1048 39.536 35.848 5.105 1.00 7.93 O +ATOM 99 CG2 THR A1048 38.819 36.336 7.297 1.00 12.19 C +ATOM 100 N PRO A1049 39.012 33.483 8.923 1.00 9.14 N +ATOM 101 CA PRO A1049 38.193 32.897 10.002 1.00 9.39 C +ATOM 102 C PRO A1049 36.834 33.598 10.053 1.00 13.17 C +ATOM 103 O PRO A1049 36.753 34.835 9.875 1.00 12.96 O +ATOM 104 CB PRO A1049 38.994 33.221 11.280 1.00 8.84 C +ATOM 105 CG PRO A1049 40.467 33.318 10.777 1.00 10.54 C +ATOM 106 CD PRO A1049 40.323 33.966 9.397 1.00 6.49 C +ATOM 107 N GLY A1050 35.796 32.776 10.266 1.00 14.85 N +ATOM 108 CA GLY A1050 34.427 33.267 10.344 1.00 15.09 C +ATOM 109 C GLY A1050 33.848 33.844 9.061 1.00 14.57 C +ATOM 110 O GLY A1050 32.924 34.666 9.150 1.00 17.65 O +ATOM 111 N LYS A1051 34.388 33.473 7.902 1.00 15.30 N +ATOM 112 CA LYS A1051 33.906 33.947 6.598 1.00 15.26 C +ATOM 113 C LYS A1051 32.527 33.482 6.364 1.00 14.86 C +ATOM 114 O LYS A1051 32.136 32.385 6.825 1.00 15.80 O +ATOM 115 CB LYS A1051 34.827 33.404 5.478 1.00 14.49 C +ATOM 116 CG LYS A1051 34.896 34.234 4.182 1.00 12.42 C +ATOM 117 CD LYS A1051 35.815 33.508 3.154 1.00 10.98 C +ATOM 118 CE LYS A1051 35.952 34.352 1.878 1.00 9.37 C +ATOM 119 NZ LYS A1051 36.942 33.707 0.979 1.00 11.35 N +ATOM 120 N SER A1052 31.759 34.299 5.640 1.00 14.59 N +ATOM 121 CA SER A1052 30.400 33.945 5.302 1.00 13.93 C +ATOM 122 C SER A1052 30.278 32.946 4.126 1.00 15.49 C +ATOM 123 O SER A1052 29.192 32.386 3.900 1.00 21.15 O +ATOM 124 CB SER A1052 29.593 35.211 4.996 1.00 18.26 C +ATOM 125 OG SER A1052 30.017 35.754 3.769 1.00 23.74 O +ATOM 126 N LEU A1053 31.371 32.721 3.393 1.00 13.83 N +ATOM 127 CA LEU A1053 31.377 31.774 2.284 1.00 12.11 C +ATOM 128 C LEU A1053 32.003 30.456 2.744 1.00 11.62 C +ATOM 129 O LEU A1053 32.883 30.474 3.616 1.00 12.49 O +ATOM 130 CB LEU A1053 32.215 32.337 1.146 1.00 14.21 C +ATOM 131 CG LEU A1053 31.865 33.720 0.586 1.00 15.36 C +ATOM 132 CD1 LEU A1053 32.814 34.052 -0.553 1.00 16.42 C +ATOM 133 CD2 LEU A1053 30.429 33.696 0.103 1.00 16.51 C +ATOM 134 N ASP A1054 31.565 29.335 2.186 1.00 11.69 N +ATOM 135 CA ASP A1054 32.200 28.055 2.532 1.00 11.91 C +ATOM 136 C ASP A1054 33.498 27.914 1.724 1.00 11.03 C +ATOM 137 O ASP A1054 33.870 28.775 0.946 1.00 10.85 O +ATOM 138 CB ASP A1054 31.299 26.860 2.277 1.00 16.68 C +ATOM 139 CG ASP A1054 30.810 26.801 0.860 1.00 18.76 C +ATOM 140 OD1 ASP A1054 31.614 26.781 -0.096 1.00 24.43 O +ATOM 141 OD2 ASP A1054 29.555 26.791 0.669 1.00 24.90 O +ATOM 142 N PHE A1055 34.188 26.810 1.943 1.00 9.12 N +ATOM 143 CA PHE A1055 35.489 26.589 1.312 1.00 7.00 C +ATOM 144 C PHE A1055 35.475 26.325 -0.176 1.00 7.12 C +ATOM 145 O PHE A1055 36.524 26.372 -0.806 1.00 8.44 O +ATOM 146 CB PHE A1055 36.231 25.443 1.993 1.00 5.37 C +ATOM 147 CG PHE A1055 36.728 25.755 3.382 1.00 6.14 C +ATOM 148 CD1 PHE A1055 37.965 26.349 3.585 1.00 7.99 C +ATOM 149 CD2 PHE A1055 35.962 25.427 4.493 1.00 8.49 C +ATOM 150 CE1 PHE A1055 38.449 26.597 4.874 1.00 8.35 C +ATOM 151 CE2 PHE A1055 36.435 25.689 5.822 1.00 9.41 C +ATOM 152 CZ PHE A1055 37.691 26.276 5.990 1.00 7.72 C +ATOM 153 N GLY A1056 34.301 26.099 -0.749 1.00 8.19 N +ATOM 154 CA GLY A1056 34.287 25.900 -2.195 1.00 9.64 C +ATOM 155 C GLY A1056 34.069 24.497 -2.651 1.00 7.88 C +ATOM 156 O GLY A1056 34.200 24.252 -3.835 1.00 10.36 O +ATOM 157 N PHE A1057 33.699 23.556 -1.769 1.00 7.05 N +ATOM 158 CA PHE A1057 33.435 22.213 -2.270 1.00 6.10 C +ATOM 159 C PHE A1057 32.145 21.720 -1.579 1.00 7.35 C +ATOM 160 O PHE A1057 31.725 22.259 -0.550 1.00 7.88 O +ATOM 161 CB PHE A1057 34.629 21.279 -1.945 1.00 7.90 C +ATOM 162 CG PHE A1057 34.800 20.961 -0.511 1.00 5.09 C +ATOM 163 CD1 PHE A1057 34.262 19.809 0.018 1.00 6.65 C +ATOM 164 CD2 PHE A1057 35.525 21.818 0.340 1.00 7.08 C +ATOM 165 CE1 PHE A1057 34.443 19.539 1.383 1.00 10.04 C +ATOM 166 CE2 PHE A1057 35.687 21.537 1.688 1.00 7.87 C +ATOM 167 CZ PHE A1057 35.139 20.407 2.184 1.00 9.09 C +ATOM 168 N THR A1058 31.504 20.739 -2.205 1.00 6.01 N +ATOM 169 CA THR A1058 30.326 20.072 -1.594 1.00 7.25 C +ATOM 170 C THR A1058 30.693 18.597 -1.470 1.00 6.53 C +ATOM 171 O THR A1058 31.582 18.081 -2.179 1.00 7.00 O +ATOM 172 CB THR A1058 29.066 20.195 -2.416 1.00 8.23 C +ATOM 173 OG1 THR A1058 29.254 19.607 -3.696 1.00 8.64 O +ATOM 174 CG2 THR A1058 28.690 21.694 -2.579 1.00 7.90 C +ATOM 175 N ILE A1059 29.990 17.900 -0.581 1.00 5.72 N +ATOM 176 CA ILE A1059 30.247 16.495 -0.312 1.00 6.82 C +ATOM 177 C ILE A1059 29.176 15.606 -0.895 1.00 6.65 C +ATOM 178 O ILE A1059 27.965 15.984 -0.910 1.00 7.40 O +ATOM 179 CB ILE A1059 30.306 16.294 1.204 1.00 6.90 C +ATOM 180 CG1 ILE A1059 31.542 17.029 1.764 1.00 7.87 C +ATOM 181 CG2 ILE A1059 30.418 14.774 1.564 1.00 9.14 C +ATOM 182 CD1 ILE A1059 31.801 16.858 3.258 1.00 10.42 C +ATOM 183 N LYS A1060 29.637 14.493 -1.450 1.00 6.90 N +ATOM 184 CA LYS A1060 28.791 13.407 -1.929 1.00 7.54 C +ATOM 185 C LYS A1060 28.792 12.366 -0.835 1.00 5.78 C +ATOM 186 O LYS A1060 29.829 11.751 -0.497 1.00 7.91 O +ATOM 187 CB LYS A1060 29.345 12.761 -3.197 1.00 9.64 C +ATOM 188 CG LYS A1060 28.411 11.616 -3.654 1.00 14.20 C +ATOM 189 CD LYS A1060 28.738 11.169 -5.062 1.00 20.45 C +ATOM 190 CE LYS A1060 29.709 10.010 -4.973 1.00 23.56 C +ATOM 191 NZ LYS A1060 29.541 9.024 -6.130 1.00 29.98 N +ATOM 192 N TRP A1061 27.614 12.186 -0.217 1.00 5.52 N +ATOM 193 CA TRP A1061 27.443 11.128 0.765 1.00 6.34 C +ATOM 194 C TRP A1061 27.184 9.846 0.001 1.00 7.47 C +ATOM 195 O TRP A1061 26.191 9.733 -0.759 1.00 7.76 O +ATOM 196 CB TRP A1061 26.260 11.492 1.648 1.00 7.46 C +ATOM 197 CG TRP A1061 26.610 12.645 2.552 1.00 8.09 C +ATOM 198 CD1 TRP A1061 26.734 13.960 2.176 1.00 10.24 C +ATOM 199 CD2 TRP A1061 26.959 12.574 3.920 1.00 9.29 C +ATOM 200 NE1 TRP A1061 27.150 14.720 3.249 1.00 12.59 N +ATOM 201 CE2 TRP A1061 27.300 13.900 4.337 1.00 10.17 C +ATOM 202 CE3 TRP A1061 27.030 11.510 4.865 1.00 8.74 C +ATOM 203 CZ2 TRP A1061 27.690 14.205 5.634 1.00 10.94 C +ATOM 204 CZ3 TRP A1061 27.418 11.830 6.166 1.00 12.06 C +ATOM 205 CH2 TRP A1061 27.742 13.164 6.538 1.00 11.37 C +ATOM 206 N ASP A1062 28.051 8.853 0.157 1.00 7.32 N +ATOM 207 CA ASP A1062 27.865 7.559 -0.482 1.00 7.36 C +ATOM 208 C ASP A1062 28.313 6.557 0.577 1.00 6.45 C +ATOM 209 O ASP A1062 29.336 5.836 0.438 1.00 7.09 O +ATOM 210 CB ASP A1062 28.699 7.430 -1.745 1.00 9.00 C +ATOM 211 CG ASP A1062 28.095 6.395 -2.683 1.00 9.82 C +ATOM 212 OD1 ASP A1062 27.117 5.788 -2.248 1.00 12.87 O +ATOM 213 OD2 ASP A1062 28.626 6.259 -3.779 1.00 16.29 O +ATOM 214 N ILE A1063 27.498 6.441 1.603 1.00 6.23 N +ATOM 215 CA ILE A1063 27.794 5.611 2.776 1.00 6.55 C +ATOM 216 C ILE A1063 28.244 4.215 2.305 1.00 6.14 C +ATOM 217 O ILE A1063 27.590 3.627 1.484 1.00 7.16 O +ATOM 218 CB ILE A1063 26.513 5.570 3.666 1.00 6.20 C +ATOM 219 CG1 ILE A1063 26.284 6.949 4.324 1.00 7.54 C +ATOM 220 CG2 ILE A1063 26.627 4.474 4.705 1.00 7.14 C +ATOM 221 CD1 ILE A1063 27.493 7.530 5.126 1.00 9.96 C +ATOM 222 N PRO A1064 29.253 3.617 2.967 1.00 7.61 N +ATOM 223 CA PRO A1064 29.948 4.152 4.145 1.00 6.46 C +ATOM 224 C PRO A1064 30.999 5.247 3.983 1.00 7.78 C +ATOM 225 O PRO A1064 31.640 5.620 4.992 1.00 10.84 O +ATOM 226 CB PRO A1064 30.508 2.881 4.818 1.00 8.88 C +ATOM 227 CG PRO A1064 30.919 2.071 3.593 1.00 8.00 C +ATOM 228 CD PRO A1064 29.730 2.230 2.652 1.00 8.34 C +ATOM 229 N GLY A1065 31.134 5.760 2.756 1.00 5.33 N +ATOM 230 CA GLY A1065 32.100 6.854 2.587 1.00 6.71 C +ATOM 231 C GLY A1065 31.494 8.191 2.261 1.00 7.65 C +ATOM 232 O GLY A1065 30.310 8.308 1.932 1.00 6.87 O +ATOM 233 N ILE A1066 32.301 9.224 2.371 1.00 6.05 N +ATOM 234 CA ILE A1066 31.950 10.583 1.877 1.00 6.85 C +ATOM 235 C ILE A1066 33.039 10.974 0.886 1.00 5.63 C +ATOM 236 O ILE A1066 34.224 10.636 1.074 1.00 6.41 O +ATOM 237 CB ILE A1066 31.806 11.637 2.980 1.00 4.99 C +ATOM 238 CG1 ILE A1066 32.938 11.535 3.978 1.00 7.10 C +ATOM 239 CG2 ILE A1066 30.456 11.482 3.706 1.00 7.58 C +ATOM 240 CD1 ILE A1066 33.048 12.816 4.850 1.00 8.76 C +ATOM 241 N PHE A1067 32.645 11.684 -0.151 1.00 6.50 N +ATOM 242 CA PHE A1067 33.530 12.053 -1.270 1.00 5.18 C +ATOM 243 C PHE A1067 33.311 13.501 -1.655 1.00 6.76 C +ATOM 244 O PHE A1067 32.321 14.118 -1.281 1.00 7.29 O +ATOM 245 CB PHE A1067 33.228 11.166 -2.487 1.00 7.41 C +ATOM 246 CG PHE A1067 33.331 9.687 -2.204 1.00 6.74 C +ATOM 247 CD1 PHE A1067 32.278 9.021 -1.577 1.00 6.93 C +ATOM 248 CD2 PHE A1067 34.518 9.022 -2.490 1.00 7.51 C +ATOM 249 CE1 PHE A1067 32.428 7.660 -1.211 1.00 8.58 C +ATOM 250 CE2 PHE A1067 34.686 7.689 -2.156 1.00 9.23 C +ATOM 251 CZ PHE A1067 33.628 7.027 -1.516 1.00 8.38 C +ATOM 252 N VAL A1068 34.277 14.061 -2.381 1.00 5.99 N +ATOM 253 CA VAL A1068 34.109 15.430 -2.880 1.00 5.46 C +ATOM 254 C VAL A1068 33.184 15.374 -4.095 1.00 4.15 C +ATOM 255 O VAL A1068 33.454 14.691 -5.099 1.00 6.73 O +ATOM 256 CB VAL A1068 35.472 16.037 -3.239 1.00 4.54 C +ATOM 257 CG1 VAL A1068 35.262 17.377 -3.860 1.00 5.03 C +ATOM 258 CG2 VAL A1068 36.335 16.150 -1.978 1.00 7.37 C +ATOM 259 N ALA A1069 32.059 16.086 -3.993 1.00 5.35 N +ATOM 260 CA ALA A1069 31.086 16.089 -5.110 1.00 6.67 C +ATOM 261 C ALA A1069 31.378 17.163 -6.167 1.00 7.65 C +ATOM 262 O ALA A1069 31.140 16.997 -7.376 1.00 8.60 O +ATOM 263 CB ALA A1069 29.691 16.315 -4.550 1.00 7.59 C +ATOM 264 N SER A1070 31.881 18.305 -5.703 1.00 5.33 N +ATOM 265 CA SER A1070 32.129 19.435 -6.610 1.00 5.97 C +ATOM 266 C SER A1070 33.187 20.305 -5.954 1.00 6.12 C +ATOM 267 O SER A1070 33.352 20.298 -4.716 1.00 6.18 O +ATOM 268 CB SER A1070 30.822 20.234 -6.778 1.00 7.96 C +ATOM 269 OG SER A1070 30.452 20.931 -5.572 1.00 12.11 O +ATOM 270 N VAL A1071 33.939 21.027 -6.805 1.00 6.24 N +ATOM 271 CA VAL A1071 34.985 21.998 -6.376 1.00 6.25 C +ATOM 272 C VAL A1071 34.765 23.192 -7.267 1.00 8.10 C +ATOM 273 O VAL A1071 34.947 23.102 -8.476 1.00 11.28 O +ATOM 274 CB VAL A1071 36.393 21.403 -6.531 1.00 6.24 C +ATOM 275 CG1 VAL A1071 37.427 22.445 -6.057 1.00 8.13 C +ATOM 276 CG2 VAL A1071 36.562 20.202 -5.689 1.00 5.36 C +ATOM 277 N GLU A1072 34.420 24.318 -6.646 1.00 6.42 N +ATOM 278 CA GLU A1072 34.070 25.519 -7.366 1.00 8.75 C +ATOM 279 C GLU A1072 35.237 26.337 -7.861 1.00 8.28 C +ATOM 280 O GLU A1072 36.212 26.567 -7.148 1.00 8.21 O +ATOM 281 CB GLU A1072 33.281 26.417 -6.457 1.00 10.66 C +ATOM 282 CG GLU A1072 31.926 25.934 -6.014 1.00 18.98 C +ATOM 283 CD GLU A1072 31.282 27.109 -5.253 1.00 25.01 C +ATOM 284 OE1 GLU A1072 30.687 28.013 -5.914 1.00 30.26 O +ATOM 285 OE2 GLU A1072 31.444 27.169 -4.030 1.00 24.63 O +ATOM 286 N ALA A1073 35.181 26.725 -9.119 1.00 7.19 N +ATOM 287 CA ALA A1073 36.210 27.605 -9.668 1.00 8.33 C +ATOM 288 C ALA A1073 36.244 28.868 -8.834 1.00 7.44 C +ATOM 289 O ALA A1073 35.221 29.392 -8.389 1.00 7.97 O +ATOM 290 CB ALA A1073 35.885 27.939 -11.115 1.00 8.79 C +ATOM 291 N GLY A1074 37.479 29.311 -8.607 1.00 7.86 N +ATOM 292 CA GLY A1074 37.760 30.521 -7.857 1.00 8.59 C +ATOM 293 C GLY A1074 37.811 30.384 -6.343 1.00 7.87 C +ATOM 294 O GLY A1074 38.085 31.372 -5.655 1.00 7.75 O +ATOM 295 N SER A1075 37.545 29.179 -5.827 1.00 7.48 N +ATOM 296 CA SER A1075 37.456 28.980 -4.404 1.00 6.14 C +ATOM 297 C SER A1075 38.741 28.537 -3.746 1.00 5.47 C +ATOM 298 O SER A1075 39.669 28.113 -4.404 1.00 5.10 O +ATOM 299 CB SER A1075 36.391 27.864 -4.116 1.00 6.92 C +ATOM 300 OG SER A1075 36.895 26.595 -4.510 1.00 8.13 O +ATOM 301 N PRO A1076 38.797 28.616 -2.411 1.00 4.14 N +ATOM 302 CA PRO A1076 39.987 28.144 -1.685 1.00 4.98 C +ATOM 303 C PRO A1076 40.215 26.647 -1.983 1.00 5.42 C +ATOM 304 O PRO A1076 41.370 26.157 -2.116 1.00 4.69 O +ATOM 305 CB PRO A1076 39.594 28.355 -0.222 1.00 5.59 C +ATOM 306 CG PRO A1076 38.765 29.576 -0.246 1.00 7.53 C +ATOM 307 CD PRO A1076 37.914 29.389 -1.529 1.00 5.81 C +ATOM 308 N ALA A1077 39.151 25.865 -2.100 1.00 5.36 N +ATOM 309 CA ALA A1077 39.319 24.425 -2.352 1.00 5.36 C +ATOM 310 C ALA A1077 39.934 24.178 -3.728 1.00 4.29 C +ATOM 311 O ALA A1077 40.758 23.275 -3.872 1.00 4.74 O +ATOM 312 CB ALA A1077 37.958 23.734 -2.208 1.00 5.77 C +ATOM 313 N GLU A1078 39.620 25.004 -4.741 1.00 6.21 N +ATOM 314 CA GLU A1078 40.214 24.843 -6.049 1.00 5.59 C +ATOM 315 C GLU A1078 41.677 25.269 -5.962 1.00 5.20 C +ATOM 316 O GLU A1078 42.536 24.586 -6.488 1.00 6.07 O +ATOM 317 CB GLU A1078 39.444 25.691 -7.089 1.00 5.95 C +ATOM 318 CG GLU A1078 40.056 25.682 -8.448 1.00 8.64 C +ATOM 319 CD GLU A1078 39.958 24.391 -9.197 1.00 16.32 C +ATOM 320 OE1 GLU A1078 39.459 23.339 -8.683 1.00 17.49 O +ATOM 321 OE2 GLU A1078 40.397 24.415 -10.369 1.00 18.36 O +ATOM 322 N PHE A1079 41.931 26.374 -5.271 1.00 5.86 N +ATOM 323 CA PHE A1079 43.315 26.860 -5.129 1.00 5.72 C +ATOM 324 C PHE A1079 44.156 25.735 -4.512 1.00 5.00 C +ATOM 325 O PHE A1079 45.277 25.459 -4.940 1.00 5.88 O +ATOM 326 CB PHE A1079 43.318 28.098 -4.192 1.00 6.27 C +ATOM 327 CG PHE A1079 44.711 28.619 -3.876 1.00 5.74 C +ATOM 328 CD1 PHE A1079 45.402 29.447 -4.773 1.00 5.37 C +ATOM 329 CD2 PHE A1079 45.349 28.207 -2.727 1.00 4.98 C +ATOM 330 CE1 PHE A1079 46.730 29.834 -4.467 1.00 5.04 C +ATOM 331 CE2 PHE A1079 46.665 28.581 -2.418 1.00 6.69 C +ATOM 332 CZ PHE A1079 47.347 29.396 -3.305 1.00 6.02 C +ATOM 333 N SER A1080 43.597 25.070 -3.492 1.00 3.94 N +ATOM 334 CA SER A1080 44.344 23.999 -2.788 1.00 3.65 C +ATOM 335 C SER A1080 44.436 22.697 -3.515 1.00 3.20 C +ATOM 336 O SER A1080 45.155 21.798 -3.097 1.00 5.12 O +ATOM 337 CB SER A1080 43.694 23.735 -1.442 1.00 5.42 C +ATOM 338 OG SER A1080 43.899 24.860 -0.564 1.00 6.03 O +ATOM 339 N GLN A1081 43.728 22.603 -4.630 1.00 4.25 N +ATOM 340 CA GLN A1081 43.748 21.433 -5.513 1.00 5.17 C +ATOM 341 C GLN A1081 43.098 20.183 -4.976 1.00 5.69 C +ATOM 342 O GLN A1081 43.538 19.052 -5.216 1.00 7.03 O +ATOM 343 CB GLN A1081 45.142 21.198 -6.165 1.00 6.63 C +ATOM 344 CG GLN A1081 45.531 22.438 -7.026 1.00 8.03 C +ATOM 345 CD GLN A1081 46.789 22.361 -7.801 1.00 11.60 C +ATOM 346 OE1 GLN A1081 47.392 23.434 -8.145 1.00 12.09 O +ATOM 347 NE2 GLN A1081 47.199 21.165 -8.126 1.00 12.00 N +ATOM 348 N LEU A1082 41.990 20.410 -4.232 1.00 5.70 N +ATOM 349 CA LEU A1082 41.102 19.286 -3.869 1.00 5.85 C +ATOM 350 C LEU A1082 40.409 18.902 -5.162 1.00 5.26 C +ATOM 351 O LEU A1082 40.128 19.752 -6.019 1.00 7.30 O +ATOM 352 CB LEU A1082 40.100 19.824 -2.853 1.00 5.45 C +ATOM 353 CG LEU A1082 39.035 18.832 -2.352 1.00 4.27 C +ATOM 354 CD1 LEU A1082 39.769 17.732 -1.452 1.00 6.16 C +ATOM 355 CD2 LEU A1082 37.952 19.561 -1.512 1.00 6.24 C +ATOM 356 N GLN A1083 40.126 17.622 -5.341 1.00 5.19 N +ATOM 357 CA GLN A1083 39.476 17.184 -6.593 1.00 7.11 C +ATOM 358 C GLN A1083 38.199 16.373 -6.392 1.00 5.39 C +ATOM 359 O GLN A1083 38.071 15.663 -5.399 1.00 6.66 O +ATOM 360 CB GLN A1083 40.456 16.338 -7.420 1.00 8.52 C +ATOM 361 CG GLN A1083 41.658 17.206 -7.864 1.00 10.54 C +ATOM 362 CD GLN A1083 42.694 16.479 -8.677 1.00 14.65 C +ATOM 363 OE1 GLN A1083 42.513 15.361 -9.104 1.00 14.83 O +ATOM 364 NE2 GLN A1083 43.828 17.176 -8.913 1.00 14.67 N +ATOM 365 N VAL A1084 37.282 16.530 -7.347 1.00 6.27 N +ATOM 366 CA VAL A1084 36.023 15.754 -7.337 1.00 5.81 C +ATOM 367 C VAL A1084 36.387 14.283 -7.305 1.00 6.56 C +ATOM 368 O VAL A1084 37.376 13.866 -7.929 1.00 7.67 O +ATOM 369 CB VAL A1084 35.207 16.085 -8.573 1.00 4.81 C +ATOM 370 CG1 VAL A1084 34.002 15.132 -8.686 1.00 6.70 C +ATOM 371 CG2 VAL A1084 34.767 17.532 -8.522 1.00 7.21 C +ATOM 372 N ASP A1085 35.603 13.522 -6.513 1.00 7.20 N +ATOM 373 CA ASP A1085 35.770 12.087 -6.279 1.00 7.67 C +ATOM 374 C ASP A1085 36.827 11.736 -5.261 1.00 6.58 C +ATOM 375 O ASP A1085 37.000 10.551 -4.936 1.00 8.35 O +ATOM 376 CB ASP A1085 36.049 11.325 -7.582 1.00 10.78 C +ATOM 377 CG ASP A1085 34.799 11.119 -8.435 1.00 16.78 C +ATOM 378 OD1 ASP A1085 33.685 11.128 -7.894 1.00 17.07 O +ATOM 379 OD2 ASP A1085 34.955 10.901 -9.666 1.00 20.21 O +ATOM 380 N ASP A1086 37.584 12.721 -4.769 1.00 6.26 N +ATOM 381 CA ASP A1086 38.513 12.391 -3.690 1.00 6.60 C +ATOM 382 C ASP A1086 37.679 11.866 -2.516 1.00 6.40 C +ATOM 383 O ASP A1086 36.631 12.444 -2.190 1.00 6.53 O +ATOM 384 CB ASP A1086 39.287 13.628 -3.170 1.00 5.94 C +ATOM 385 CG ASP A1086 40.381 14.087 -4.088 1.00 6.94 C +ATOM 386 OD1 ASP A1086 40.742 13.351 -5.005 1.00 6.87 O +ATOM 387 OD2 ASP A1086 40.890 15.211 -3.820 1.00 7.02 O +ATOM 388 N GLU A1087 38.081 10.778 -1.874 1.00 5.93 N +ATOM 389 CA GLU A1087 37.358 10.259 -0.696 1.00 5.50 C +ATOM 390 C GLU A1087 37.842 11.006 0.510 1.00 6.11 C +ATOM 391 O GLU A1087 39.075 11.126 0.686 1.00 6.57 O +ATOM 392 CB GLU A1087 37.597 8.768 -0.507 1.00 8.59 C +ATOM 393 CG GLU A1087 36.686 8.259 0.653 1.00 7.83 C +ATOM 394 CD GLU A1087 36.870 6.819 1.035 1.00 10.20 C +ATOM 395 OE1 GLU A1087 37.692 6.132 0.419 1.00 12.94 O +ATOM 396 OE2 GLU A1087 36.183 6.434 2.008 1.00 11.51 O +ATOM 397 N ILE A1088 36.932 11.523 1.323 1.00 5.88 N +ATOM 398 CA ILE A1088 37.319 12.313 2.481 1.00 6.13 C +ATOM 399 C ILE A1088 37.456 11.364 3.680 1.00 8.29 C +ATOM 400 O ILE A1088 36.498 10.683 4.101 1.00 8.28 O +ATOM 401 CB ILE A1088 36.246 13.411 2.754 1.00 5.76 C +ATOM 402 CG1 ILE A1088 36.143 14.288 1.506 1.00 7.37 C +ATOM 403 CG2 ILE A1088 36.578 14.220 3.990 1.00 8.12 C +ATOM 404 CD1 ILE A1088 34.910 15.268 1.482 1.00 7.29 C +ATOM 405 N ILE A1089 38.654 11.285 4.252 1.00 7.04 N +ATOM 406 CA ILE A1089 38.901 10.420 5.374 1.00 8.76 C +ATOM 407 C ILE A1089 38.824 11.116 6.701 1.00 8.12 C +ATOM 408 O ILE A1089 38.281 10.592 7.660 1.00 9.06 O +ATOM 409 CB ILE A1089 40.281 9.705 5.207 1.00 9.36 C +ATOM 410 CG1 ILE A1089 40.320 8.921 3.886 1.00 10.49 C +ATOM 411 CG2 ILE A1089 40.520 8.778 6.409 1.00 10.59 C +ATOM 412 CD1 ILE A1089 39.221 7.958 3.683 1.00 13.89 C +ATOM 413 N ALA A1090 39.327 12.340 6.763 1.00 6.91 N +ATOM 414 CA ALA A1090 39.291 13.103 8.004 1.00 5.55 C +ATOM 415 C ALA A1090 39.464 14.594 7.715 1.00 6.00 C +ATOM 416 O ALA A1090 39.951 14.951 6.662 1.00 7.26 O +ATOM 417 CB ALA A1090 40.492 12.718 8.934 1.00 7.67 C +ATOM 418 N ILE A1091 38.966 15.426 8.606 1.00 7.23 N +ATOM 419 CA ILE A1091 39.279 16.858 8.533 1.00 8.69 C +ATOM 420 C ILE A1091 39.797 17.266 9.906 1.00 8.78 C +ATOM 421 O ILE A1091 39.205 16.910 10.939 1.00 8.45 O +ATOM 422 CB ILE A1091 38.113 17.752 8.103 1.00 9.38 C +ATOM 423 CG1 ILE A1091 36.922 17.561 9.028 1.00 6.98 C +ATOM 424 CG2 ILE A1091 37.768 17.487 6.678 1.00 9.29 C +ATOM 425 CD1 ILE A1091 35.785 18.619 8.786 1.00 12.91 C +ATOM 426 N ASN A1092 40.913 18.002 9.925 1.00 8.57 N +ATOM 427 CA ASN A1092 41.486 18.452 11.172 1.00 8.82 C +ATOM 428 C ASN A1092 41.583 17.239 12.125 1.00 10.39 C +ATOM 429 O ASN A1092 42.198 16.224 11.748 1.00 13.08 O +ATOM 430 CB ASN A1092 40.647 19.651 11.680 1.00 8.00 C +ATOM 431 CG ASN A1092 40.620 20.798 10.669 1.00 7.70 C +ATOM 432 OD1 ASN A1092 39.629 21.565 10.555 1.00 11.85 O +ATOM 433 ND2 ASN A1092 41.731 20.954 9.960 1.00 5.99 N +ATOM 434 N ASN A1093 41.023 17.312 13.307 1.00 11.01 N +ATOM 435 CA ASN A1093 41.163 16.138 14.213 1.00 12.16 C +ATOM 436 C ASN A1093 39.968 15.197 14.204 1.00 11.37 C +ATOM 437 O ASN A1093 39.783 14.442 15.175 1.00 14.03 O +ATOM 438 CB ASN A1093 41.358 16.706 15.636 1.00 13.49 C +ATOM 439 CG ASN A1093 42.664 17.521 15.726 1.00 15.92 C +ATOM 440 OD1 ASN A1093 42.711 18.655 16.266 1.00 18.53 O +ATOM 441 ND2 ASN A1093 43.705 16.953 15.161 1.00 15.13 N +ATOM 442 N THR A1094 39.192 15.160 13.123 1.00 8.96 N +ATOM 443 CA THR A1094 37.972 14.380 13.092 1.00 8.23 C +ATOM 444 C THR A1094 38.025 13.395 11.959 1.00 7.63 C +ATOM 445 O THR A1094 38.015 13.769 10.789 1.00 7.86 O +ATOM 446 CB THR A1094 36.766 15.320 12.871 1.00 9.22 C +ATOM 447 OG1 THR A1094 36.664 16.228 13.970 1.00 12.48 O +ATOM 448 CG2 THR A1094 35.474 14.552 12.767 1.00 10.53 C +ATOM 449 N LYS A1095 38.083 12.102 12.308 1.00 9.31 N +ATOM 450 CA LYS A1095 38.049 11.055 11.284 1.00 9.49 C +ATOM 451 C LYS A1095 36.561 10.777 11.008 1.00 10.76 C +ATOM 452 O LYS A1095 35.740 10.608 11.939 1.00 13.51 O +ATOM 453 CB LYS A1095 38.752 9.792 11.821 1.00 12.85 C +ATOM 454 CG LYS A1095 38.901 8.682 10.799 1.00 17.29 C +ATOM 455 CD LYS A1095 39.552 7.428 11.379 1.00 22.13 C +ATOM 456 CE LYS A1095 40.082 6.541 10.246 1.00 26.99 C +ATOM 457 NZ LYS A1095 39.040 6.276 9.150 1.00 27.22 N +ATOM 458 N PHE A1096 36.167 10.742 9.750 1.00 8.36 N +ATOM 459 CA PHE A1096 34.774 10.422 9.431 1.00 11.14 C +ATOM 460 C PHE A1096 34.400 8.985 9.764 1.00 10.52 C +ATOM 461 O PHE A1096 35.181 8.019 9.542 1.00 12.72 O +ATOM 462 CB PHE A1096 34.544 10.573 7.927 1.00 9.88 C +ATOM 463 CG PHE A1096 33.136 10.248 7.497 1.00 9.05 C +ATOM 464 CD1 PHE A1096 32.103 11.139 7.780 1.00 7.88 C +ATOM 465 CD2 PHE A1096 32.850 9.012 6.905 1.00 8.57 C +ATOM 466 CE1 PHE A1096 30.758 10.816 7.484 1.00 8.41 C +ATOM 467 CE2 PHE A1096 31.530 8.666 6.602 1.00 8.44 C +ATOM 468 CZ PHE A1096 30.492 9.553 6.894 1.00 8.52 C +ATOM 469 N SER A1097 33.198 8.836 10.279 1.00 12.40 N +ATOM 470 CA SER A1097 32.679 7.484 10.394 1.00 13.28 C +ATOM 471 C SER A1097 31.194 7.596 10.124 1.00 10.97 C +ATOM 472 O SER A1097 30.524 8.563 10.547 1.00 11.85 O +ATOM 473 CB SER A1097 32.914 6.843 11.749 1.00 14.67 C +ATOM 474 OG SER A1097 32.089 5.687 11.871 1.00 21.51 O +ATOM 475 N TYR A1098 30.722 6.571 9.429 1.00 11.85 N +ATOM 476 CA TYR A1098 29.320 6.510 9.121 1.00 10.16 C +ATOM 477 C TYR A1098 28.466 6.500 10.366 1.00 10.73 C +ATOM 478 O TYR A1098 27.284 6.811 10.304 1.00 11.09 O +ATOM 479 CB TYR A1098 28.951 5.283 8.312 1.00 13.30 C +ATOM 480 CG TYR A1098 29.175 4.018 9.033 1.00 12.13 C +ATOM 481 CD1 TYR A1098 30.449 3.443 9.061 1.00 13.29 C +ATOM 482 CD2 TYR A1098 28.171 3.433 9.751 1.00 12.53 C +ATOM 483 CE1 TYR A1098 30.706 2.316 9.801 1.00 15.63 C +ATOM 484 CE2 TYR A1098 28.420 2.271 10.527 1.00 13.35 C +ATOM 485 CZ TYR A1098 29.688 1.744 10.534 1.00 13.05 C +ATOM 486 OH TYR A1098 29.973 0.656 11.300 1.00 16.27 O +ATOM 487 N ASN A1099 29.052 6.104 11.499 1.00 10.66 N +ATOM 488 CA ASN A1099 28.328 6.048 12.798 1.00 15.20 C +ATOM 489 C ASN A1099 28.169 7.402 13.468 1.00 18.77 C +ATOM 490 O ASN A1099 27.418 7.523 14.447 1.00 22.03 O +ATOM 491 CB ASN A1099 29.078 5.169 13.811 1.00 16.49 C +ATOM 492 CG ASN A1099 28.727 3.740 13.720 1.00 22.76 C +ATOM 493 OD1 ASN A1099 29.602 2.865 13.862 1.00 27.03 O +ATOM 494 ND2 ASN A1099 27.440 3.461 13.517 1.00 25.03 N +ATOM 495 N ASP A1100 28.909 8.420 13.044 1.00 19.46 N +ATOM 496 CA ASP A1100 28.621 9.733 13.674 1.00 23.04 C +ATOM 497 C ASP A1100 28.756 10.902 12.721 1.00 21.11 C +ATOM 498 O ASP A1100 29.744 11.669 12.712 1.00 20.20 O +ATOM 499 CB ASP A1100 29.437 10.008 14.937 1.00 26.09 C +ATOM 500 CG ASP A1100 28.773 11.085 15.898 1.00 27.48 C +ATOM 501 OD1 ASP A1100 27.889 11.891 15.514 1.00 25.04 O +ATOM 502 OD2 ASP A1100 29.195 11.110 17.077 1.00 31.36 O +ATOM 503 N SER A1101 27.710 11.036 11.924 1.00 19.80 N +ATOM 504 CA SER A1101 27.623 12.124 10.998 1.00 20.40 C +ATOM 505 C SER A1101 27.385 13.404 11.763 1.00 18.95 C +ATOM 506 O SER A1101 27.662 14.457 11.233 1.00 14.16 O +ATOM 507 CB SER A1101 26.438 11.942 10.007 1.00 20.99 C +ATOM 508 OG SER A1101 25.142 12.051 10.626 1.00 26.24 O +ATOM 509 N LYS A1102 26.834 13.335 12.970 1.00 17.71 N +ATOM 510 CA LYS A1102 26.570 14.561 13.712 1.00 16.20 C +ATOM 511 C LYS A1102 27.911 15.233 14.031 1.00 12.27 C +ATOM 512 O LYS A1102 28.098 16.439 13.785 1.00 13.48 O +ATOM 513 CB LYS A1102 25.825 14.244 15.018 1.00 19.76 C +ATOM 514 CG LYS A1102 25.471 15.449 15.811 1.00 23.39 C +ATOM 515 CD LYS A1102 24.776 16.422 14.950 1.00 27.41 C +ATOM 516 CE LYS A1102 24.094 17.466 15.799 1.00 29.93 C +ATOM 517 NZ LYS A1102 23.199 16.709 16.757 1.00 33.10 N +ATOM 518 N GLU A1103 28.834 14.485 14.619 1.00 11.94 N +ATOM 519 CA GLU A1103 30.172 15.067 14.927 1.00 11.93 C +ATOM 520 C GLU A1103 30.851 15.521 13.652 1.00 11.07 C +ATOM 521 O GLU A1103 31.549 16.519 13.641 1.00 9.83 O +ATOM 522 CB GLU A1103 31.051 14.080 15.657 1.00 12.68 C +ATOM 523 CG GLU A1103 30.499 13.919 17.087 1.00 16.01 C +ATOM 524 CD GLU A1103 31.133 12.804 17.885 1.00 16.05 C +ATOM 525 OE1 GLU A1103 32.094 12.158 17.410 1.00 19.02 O +ATOM 526 OE2 GLU A1103 30.616 12.555 19.023 1.00 20.16 O +ATOM 527 N TRP A1104 30.618 14.826 12.544 1.00 9.25 N +ATOM 528 CA TRP A1104 31.220 15.264 11.291 1.00 9.86 C +ATOM 529 C TRP A1104 30.736 16.648 10.885 1.00 10.03 C +ATOM 530 O TRP A1104 31.530 17.586 10.563 1.00 9.34 O +ATOM 531 CB TRP A1104 30.872 14.272 10.199 1.00 9.59 C +ATOM 532 CG TRP A1104 31.468 14.780 8.892 1.00 10.12 C +ATOM 533 CD1 TRP A1104 30.840 15.467 7.889 1.00 10.58 C +ATOM 534 CD2 TRP A1104 32.831 14.692 8.548 1.00 11.30 C +ATOM 535 NE1 TRP A1104 31.754 15.822 6.935 1.00 12.03 N +ATOM 536 CE2 TRP A1104 32.992 15.361 7.314 1.00 11.10 C +ATOM 537 CE3 TRP A1104 33.955 14.096 9.160 1.00 11.26 C +ATOM 538 CZ2 TRP A1104 34.234 15.462 6.668 1.00 12.56 C +ATOM 539 CZ3 TRP A1104 35.182 14.196 8.506 1.00 12.30 C +ATOM 540 CH2 TRP A1104 35.316 14.868 7.283 1.00 13.66 C +ATOM 541 N GLU A1105 29.423 16.817 10.913 1.00 11.12 N +ATOM 542 CA GLU A1105 28.866 18.060 10.564 1.00 11.73 C +ATOM 543 C GLU A1105 29.328 19.158 11.493 1.00 10.17 C +ATOM 544 O GLU A1105 29.613 20.287 11.045 1.00 10.03 O +ATOM 545 CB GLU A1105 27.353 17.935 10.500 1.00 16.17 C +ATOM 546 CG GLU A1105 26.983 17.019 9.272 1.00 21.37 C +ATOM 547 CD GLU A1105 25.463 16.900 9.042 1.00 25.33 C +ATOM 548 OE1 GLU A1105 25.040 17.175 7.904 1.00 24.25 O +ATOM 549 OE2 GLU A1105 24.729 16.544 10.002 1.00 29.57 O +ATOM 550 N GLU A1106 29.443 18.867 12.780 1.00 9.70 N +ATOM 551 CA GLU A1106 29.957 19.868 13.723 1.00 10.82 C +ATOM 552 C GLU A1106 31.409 20.205 13.415 1.00 8.54 C +ATOM 553 O GLU A1106 31.792 21.371 13.511 1.00 9.04 O +ATOM 554 CB GLU A1106 29.792 19.372 15.170 1.00 10.35 C +ATOM 555 CG GLU A1106 28.310 19.380 15.543 1.00 13.59 C +ATOM 556 CD GLU A1106 27.948 18.729 16.877 1.00 19.94 C +ATOM 557 OE1 GLU A1106 28.741 17.995 17.512 1.00 16.28 O +ATOM 558 OE2 GLU A1106 26.771 18.914 17.283 1.00 19.07 O +ATOM 559 N ALA A1107 32.232 19.229 13.027 1.00 6.53 N +ATOM 560 CA ALA A1107 33.627 19.541 12.653 1.00 7.34 C +ATOM 561 C ALA A1107 33.730 20.396 11.398 1.00 7.67 C +ATOM 562 O ALA A1107 34.564 21.322 11.322 1.00 7.25 O +ATOM 563 CB ALA A1107 34.370 18.270 12.436 1.00 7.66 C +ATOM 564 N MET A1108 32.841 20.173 10.442 1.00 7.10 N +ATOM 565 CA MET A1108 32.813 20.984 9.241 1.00 7.27 C +ATOM 566 C MET A1108 32.437 22.416 9.578 1.00 7.97 C +ATOM 567 O MET A1108 33.068 23.389 9.114 1.00 9.10 O +ATOM 568 CB MET A1108 31.781 20.409 8.286 1.00 9.45 C +ATOM 569 CG MET A1108 32.329 19.239 7.564 1.00 11.81 C +ATOM 570 SD MET A1108 33.469 19.565 6.067 1.00 8.02 S +ATOM 571 CE MET A1108 34.019 20.600 6.249 1.00 9.78 C +ATOM 572 N ALA A1109 31.450 22.616 10.465 1.00 8.30 N +ATOM 573 CA ALA A1109 31.048 23.985 10.816 1.00 8.36 C +ATOM 574 C ALA A1109 32.161 24.681 11.581 1.00 9.08 C +ATOM 575 O ALA A1109 32.394 25.879 11.422 1.00 10.47 O +ATOM 576 CB ALA A1109 29.740 23.958 11.710 1.00 9.92 C +ATOM 577 N LYS A1110 32.830 23.942 12.434 1.00 8.72 N +ATOM 578 CA LYS A1110 33.944 24.502 13.186 1.00 8.42 C +ATOM 579 C LYS A1110 35.096 24.923 12.253 1.00 9.26 C +ATOM 580 O LYS A1110 35.693 25.970 12.447 1.00 9.26 O +ATOM 581 CB LYS A1110 34.388 23.463 14.211 1.00 8.99 C +ATOM 582 CG LYS A1110 35.543 23.969 15.088 1.00 9.88 C +ATOM 583 CD LYS A1110 35.817 22.959 16.190 1.00 11.58 C +ATOM 584 CE LYS A1110 36.976 23.389 17.063 1.00 12.47 C +ATOM 585 NZ LYS A1110 37.404 22.253 17.920 1.00 15.03 N +ATOM 586 N ALA A1111 35.393 24.138 11.222 1.00 8.62 N +ATOM 587 CA ALA A1111 36.463 24.519 10.309 1.00 7.71 C +ATOM 588 C ALA A1111 36.067 25.800 9.610 1.00 10.54 C +ATOM 589 O ALA A1111 36.944 26.585 9.295 1.00 8.57 O +ATOM 590 CB ALA A1111 36.684 23.364 9.268 1.00 8.03 C +ATOM 591 N GLN A1112 34.771 26.029 9.360 1.00 11.09 N +ATOM 592 CA GLN A1112 34.349 27.282 8.728 1.00 12.29 C +ATOM 593 C GLN A1112 34.606 28.416 9.690 1.00 12.75 C +ATOM 594 O GLN A1112 34.948 29.529 9.288 1.00 14.75 O +ATOM 595 CB GLN A1112 32.870 27.288 8.412 1.00 17.52 C +ATOM 596 CG GLN A1112 32.567 28.442 7.530 1.00 23.24 C +ATOM 597 CD GLN A1112 32.024 27.914 6.280 1.00 26.99 C +ATOM 598 OE1 GLN A1112 30.823 27.829 6.116 1.00 30.04 O +ATOM 599 NE2 GLN A1112 32.896 27.471 5.407 1.00 29.98 N +ATOM 600 N GLU A1113 34.409 28.171 10.972 1.00 11.50 N +ATOM 601 CA GLU A1113 34.681 29.202 11.951 1.00 12.72 C +ATOM 602 C GLU A1113 36.169 29.536 12.040 1.00 11.46 C +ATOM 603 O GLU A1113 36.546 30.720 12.061 1.00 13.72 O +ATOM 604 CB GLU A1113 34.199 28.794 13.356 1.00 15.61 C +ATOM 605 CG GLU A1113 34.198 30.038 14.223 1.00 19.21 C +ATOM 606 CD GLU A1113 33.247 30.013 15.436 1.00 25.98 C +ATOM 607 OE1 GLU A1113 33.455 30.862 16.341 1.00 26.96 O +ATOM 608 OE2 GLU A1113 32.321 29.169 15.467 1.00 24.64 O +ATOM 609 N THR A1114 37.066 28.550 12.020 1.00 7.97 N +ATOM 610 CA THR A1114 38.522 28.826 12.180 1.00 7.07 C +ATOM 611 C THR A1114 39.156 29.229 10.827 1.00 6.69 C +ATOM 612 O THR A1114 40.238 29.886 10.809 1.00 8.49 O +ATOM 613 CB THR A1114 39.303 27.593 12.677 1.00 8.55 C +ATOM 614 OG1 THR A1114 39.256 26.571 11.674 1.00 8.10 O +ATOM 615 CG2 THR A1114 38.716 27.043 13.961 1.00 9.56 C +ATOM 616 N GLY A1115 38.548 28.793 9.717 1.00 6.78 N +ATOM 617 CA GLY A1115 39.144 29.049 8.417 1.00 7.65 C +ATOM 618 C GLY A1115 40.233 28.079 8.021 1.00 8.50 C +ATOM 619 O GLY A1115 40.918 28.285 7.001 1.00 6.95 O +ATOM 620 N HIS A1116 40.457 27.044 8.810 1.00 6.58 N +ATOM 621 CA HIS A1116 41.509 26.071 8.500 1.00 7.25 C +ATOM 622 C HIS A1116 40.934 24.688 8.346 1.00 8.13 C +ATOM 623 O HIS A1116 40.163 24.181 9.198 1.00 7.78 O +ATOM 624 CB HIS A1116 42.576 25.988 9.620 1.00 7.53 C +ATOM 625 CG HIS A1116 43.208 27.286 9.980 1.00 6.60 C +ATOM 626 ND1 HIS A1116 43.992 28.005 9.098 1.00 7.63 N +ATOM 627 CD2 HIS A1116 43.158 27.998 11.119 1.00 8.86 C +ATOM 628 CE1 HIS A1116 44.376 29.128 9.679 1.00 10.76 C +ATOM 629 NE2 HIS A1116 43.875 29.148 10.905 1.00 9.54 N +ATOM 630 N LEU A1117 41.251 24.082 7.229 1.00 7.13 N +ATOM 631 CA LEU A1117 40.766 22.758 6.956 1.00 8.87 C +ATOM 632 C LEU A1117 41.902 21.899 6.405 1.00 9.67 C +ATOM 633 O LEU A1117 42.284 22.077 5.258 1.00 12.37 O +ATOM 634 CB LEU A1117 39.620 22.945 5.965 1.00 12.08 C +ATOM 635 CG LEU A1117 38.754 21.779 5.616 1.00 13.45 C +ATOM 636 CD1 LEU A1117 38.076 21.177 6.844 1.00 11.98 C +ATOM 637 CD2 LEU A1117 37.726 22.332 4.608 1.00 12.62 C +ATOM 638 N VAL A1118 42.426 20.981 7.212 1.00 8.23 N +ATOM 639 CA VAL A1118 43.491 20.061 6.790 1.00 7.94 C +ATOM 640 C VAL A1118 42.758 18.735 6.550 1.00 7.49 C +ATOM 641 O VAL A1118 42.323 18.082 7.521 1.00 10.41 O +ATOM 642 CB VAL A1118 44.580 19.910 7.855 1.00 10.22 C +ATOM 643 CG1 VAL A1118 45.653 18.882 7.440 1.00 12.31 C +ATOM 644 CG2 VAL A1118 45.330 21.232 8.014 1.00 11.64 C +ATOM 645 N MET A1119 42.654 18.357 5.284 1.00 7.17 N +ATOM 646 CA MET A1119 41.866 17.180 4.900 1.00 8.36 C +ATOM 647 C MET A1119 42.674 15.986 4.559 1.00 7.39 C +ATOM 648 O MET A1119 43.619 16.124 3.772 1.00 9.75 O +ATOM 649 CB MET A1119 41.013 17.518 3.677 1.00 8.91 C +ATOM 650 CG MET A1119 40.197 18.862 3.718 1.00 11.44 C +ATOM 651 SD MET A1119 39.002 19.061 2.280 1.00 8.90 S +ATOM 652 CE MET A1119 38.843 17.239 1.954 1.00 1.75 C +ATOM 653 N ASP A1120 42.379 14.849 5.137 1.00 6.40 N +ATOM 654 CA ASP A1120 43.073 13.629 4.709 1.00 6.91 C +ATOM 655 C ASP A1120 42.145 12.986 3.694 1.00 7.08 C +ATOM 656 O ASP A1120 40.959 12.775 4.013 1.00 7.33 O +ATOM 657 CB ASP A1120 43.303 12.694 5.887 1.00 8.01 C +ATOM 658 CG ASP A1120 44.392 13.163 6.780 1.00 16.08 C +ATOM 659 OD1 ASP A1120 45.063 14.109 6.399 1.00 18.42 O +ATOM 660 OD2 ASP A1120 44.580 12.559 7.841 1.00 21.36 O +ATOM 661 N VAL A1121 42.592 12.799 2.468 1.00 6.63 N +ATOM 662 CA VAL A1121 41.804 12.208 1.422 1.00 8.06 C +ATOM 663 C VAL A1121 42.497 11.041 0.778 1.00 7.74 C +ATOM 664 O VAL A1121 43.709 10.830 0.913 1.00 8.34 O +ATOM 665 CB VAL A1121 41.407 13.263 0.305 1.00 9.75 C +ATOM 666 CG1 VAL A1121 40.813 14.527 0.938 1.00 10.03 C +ATOM 667 CG2 VAL A1121 42.569 13.613 -0.562 1.00 10.90 C +ATOM 668 N ARG A1122 41.720 10.254 0.065 1.00 7.84 N +ATOM 669 CA ARG A1122 42.200 9.100 -0.712 1.00 7.79 C +ATOM 670 C ARG A1122 41.754 9.400 -2.131 1.00 8.42 C +ATOM 671 O ARG A1122 40.558 9.559 -2.425 1.00 8.58 O +ATOM 672 CB ARG A1122 41.541 7.825 -0.191 1.00 10.55 C +ATOM 673 CG ARG A1122 41.965 6.578 -0.900 1.00 14.91 C +ATOM 674 CD ARG A1122 41.795 5.381 0.023 1.00 19.65 C +ATOM 675 NE ARG A1122 42.081 5.801 1.387 1.00 28.90 N +ATOM 676 CZ ARG A1122 42.647 5.060 2.329 1.00 30.77 C +ATOM 677 NH1 ARG A1122 43.017 3.819 2.068 1.00 33.60 N +ATOM 678 NH2 ARG A1122 42.816 5.565 3.551 1.00 34.23 N +ATOM 679 N ARG A1123 42.706 9.440 -3.048 1.00 7.39 N +ATOM 680 CA ARG A1123 42.485 9.739 -4.454 1.00 7.91 C +ATOM 681 C ARG A1123 42.710 8.488 -5.258 1.00 12.26 C +ATOM 682 O ARG A1123 43.787 7.876 -5.179 1.00 11.57 O +ATOM 683 CB ARG A1123 43.435 10.852 -4.892 1.00 8.75 C +ATOM 684 CG ARG A1123 43.206 11.251 -6.357 1.00 8.91 C +ATOM 685 CD ARG A1123 43.925 12.528 -6.741 1.00 9.24 C +ATOM 686 NE ARG A1123 43.378 13.654 -5.977 1.00 9.42 N +ATOM 687 CZ ARG A1123 43.971 14.844 -5.825 1.00 8.89 C +ATOM 688 NH1 ARG A1123 45.180 15.082 -6.383 1.00 11.34 N +ATOM 689 NH2 ARG A1123 43.363 15.797 -5.119 1.00 7.69 N +ATOM 690 N TYR A1124 41.690 8.093 -6.016 1.00 15.01 N +ATOM 691 CA TYR A1124 41.848 6.851 -6.760 1.00 21.39 C +ATOM 692 C TYR A1124 42.373 7.135 -8.152 1.00 23.05 C +ATOM 693 O TYR A1124 41.983 8.107 -8.793 1.00 24.53 O +ATOM 694 CB TYR A1124 40.497 6.108 -6.766 1.00 19.34 C +ATOM 695 CG TYR A1124 40.016 5.693 -5.365 1.00 22.80 C +ATOM 696 CD1 TYR A1124 40.287 4.416 -4.838 1.00 20.69 C +ATOM 697 CD2 TYR A1124 39.320 6.611 -4.543 1.00 23.82 C +ATOM 698 CE1 TYR A1124 39.858 4.072 -3.530 1.00 23.31 C +ATOM 699 CE2 TYR A1124 38.911 6.285 -3.267 1.00 26.13 C +ATOM 700 CZ TYR A1124 39.164 5.026 -2.762 1.00 26.83 C +ATOM 701 OH TYR A1124 38.645 4.756 -1.526 1.00 28.88 O +ATOM 702 N GLY A1125 43.296 6.302 -8.624 1.00 27.45 N +ATOM 703 CA GLY A1125 43.851 6.527 -9.947 1.00 28.62 C +ATOM 704 C GLY A1125 43.137 5.753 -11.050 1.00 31.65 C +ATOM 705 O GLY A1125 42.228 6.379 -11.663 1.00 32.01 O Added: SwiftApps/modFTdock/input/2frg-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2frg-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2frg-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,806 @@ +ATOM 1 N GLY P 20 7.737 13.548 23.486 1.00 12.65 N +ATOM 2 CA GLY P 20 6.669 13.824 24.477 1.00 11.14 C +ATOM 3 C GLY P 20 5.786 15.001 24.126 1.00 9.66 C +ATOM 4 O GLY P 20 5.450 15.226 22.961 1.00 10.79 O +ATOM 5 N SER P 21 5.393 15.712 25.166 1.00 8.52 N +ATOM 6 CA SER P 21 4.353 16.728 25.057 1.00 8.08 C +ATOM 7 C SER P 21 4.890 18.079 24.616 1.00 7.03 C +ATOM 8 O SER P 21 4.141 18.873 24.036 1.00 7.25 O +ATOM 9 CB SER P 21 3.612 16.861 26.384 1.00 8.20 C +ATOM 10 OG SER P 21 4.465 17.410 27.374 1.00 9.64 O +ATOM 11 N LEU P 22 6.161 18.358 24.909 1.00 6.49 N +ATOM 12 CA LEU P 22 6.705 19.700 24.718 1.00 6.93 C +ATOM 13 C LEU P 22 7.701 19.693 23.556 1.00 7.02 C +ATOM 14 O LEU P 22 8.298 18.658 23.250 1.00 7.28 O +ATOM 15 CB LEU P 22 7.369 20.206 26.030 1.00 9.02 C +ATOM 16 CG LEU P 22 6.420 20.601 27.141 1.00 8.59 C +ATOM 17 CD1 LEU P 22 7.182 20.621 28.459 1.00 10.83 C +ATOM 18 CD2 LEU P 22 5.814 21.952 26.823 1.00 10.38 C +ATOM 19 N PRO P 23 7.953 20.871 22.952 1.00 6.57 N +ATOM 20 CA PRO P 23 9.068 20.982 22.012 1.00 6.76 C +ATOM 21 C PRO P 23 10.378 20.975 22.792 1.00 6.74 C +ATOM 22 O PRO P 23 10.374 21.039 24.022 1.00 6.64 O +ATOM 23 CB PRO P 23 8.858 22.382 21.412 1.00 7.43 C +ATOM 24 CG PRO P 23 8.208 23.156 22.536 1.00 7.53 C +ATOM 25 CD PRO P 23 7.307 22.177 23.221 1.00 7.29 C +ATOM 26 N GLU P 24 11.495 20.918 22.076 1.00 6.80 N +ATOM 27 CA GLU P 24 12.766 21.313 22.645 1.00 6.94 C +ATOM 28 C GLU P 24 12.648 22.788 22.974 1.00 7.18 C +ATOM 29 O GLU P 24 12.097 23.551 22.172 1.00 9.13 O +ATOM 30 CB GLU P 24 13.855 21.035 21.618 1.00 6.88 C +ATOM 31 CG GLU P 24 15.237 21.505 22.061 1.00 7.02 C +ATOM 32 CD GLU P 24 16.354 21.162 21.086 1.00 8.00 C +ATOM 33 OE1 GLU P 24 16.124 20.518 20.045 1.00 7.93 O +ATOM 34 OE2 GLU P 24 17.492 21.528 21.416 1.00 9.05 O +ATOM 35 N VAL P 25 13.066 23.170 24.178 1.00 6.80 N +ATOM 36 CA VAL P 25 12.915 24.543 24.653 1.00 7.04 C +ATOM 37 C VAL P 25 14.294 25.153 24.836 1.00 6.91 C +ATOM 38 O VAL P 25 15.095 24.657 25.627 1.00 7.48 O +ATOM 39 CB VAL P 25 12.107 24.611 25.963 1.00 7.24 C +ATOM 40 CG1 VAL P 25 11.971 26.066 26.408 1.00 8.81 C +ATOM 41 CG2 VAL P 25 10.722 23.998 25.756 1.00 8.81 C +ATOM 42 N LEU P 26 14.558 26.234 24.098 1.00 7.14 N +ATOM 43 CA LEU P 26 15.845 26.906 24.111 1.00 8.05 C +ATOM 44 C LEU P 26 15.699 28.339 24.513 1.00 8.84 C +ATOM 45 O LEU P 26 14.729 28.989 24.152 1.00 9.00 O +ATOM 46 CB LEU P 26 16.455 26.886 22.721 1.00 8.72 C +ATOM 47 CG LEU P 26 16.674 25.499 22.129 1.00 9.39 C +ATOM 48 CD1 LEU P 26 17.243 25.599 20.713 1.00 12.51 C +ATOM 49 CD2 LEU P 26 17.523 24.613 23.047 1.00 13.49 C +ATOM 50 N GLN P 27 16.707 28.821 25.243 1.00 9.76 N +ATOM 51 CA GLN P 27 16.872 30.230 25.604 1.00 10.31 C +ATOM 52 C GLN P 27 18.242 30.698 25.128 1.00 11.03 C +ATOM 53 O GLN P 27 19.258 30.073 25.455 1.00 12.42 O +ATOM 54 CB GLN P 27 16.861 30.366 27.120 1.00 10.91 C +ATOM 55 CG GLN P 27 15.649 29.814 27.776 1.00 13.42 C +ATOM 56 CD GLN P 27 14.436 30.668 27.553 1.00 12.12 C +ATOM 57 OE1 GLN P 27 14.541 31.867 27.236 1.00 14.73 O +ATOM 58 NE2 GLN P 27 13.265 30.082 27.753 1.00 14.22 N +ATOM 59 N ALA P 28 18.288 31.804 24.388 1.00 10.62 N +ATOM 60 CA ALA P 28 19.563 32.297 23.870 1.00 10.98 C +ATOM 61 C ALA P 28 19.555 33.814 23.811 1.00 10.21 C +ATOM 62 O ALA P 28 18.574 34.421 23.397 1.00 10.13 O +ATOM 63 CB ALA P 28 19.817 31.719 22.482 1.00 12.28 C +ATOM 64 N PRO P 29 20.666 34.458 24.206 1.00 10.39 N +ATOM 65 CA PRO P 29 20.745 35.893 23.963 1.00 10.96 C +ATOM 66 C PRO P 29 21.034 36.172 22.501 1.00 9.64 C +ATOM 67 O PRO P 29 21.497 35.299 21.776 1.00 9.13 O +ATOM 68 CB PRO P 29 21.904 36.339 24.851 1.00 11.70 C +ATOM 69 CG PRO P 29 22.763 35.157 25.005 1.00 13.28 C +ATOM 70 CD PRO P 29 21.864 33.931 24.891 1.00 11.74 C +ATOM 71 N VAL P 30 20.753 37.398 22.085 1.00 9.22 N +ATOM 72 CA VAL P 30 21.108 37.839 20.745 1.00 9.13 C +ATOM 73 C VAL P 30 22.622 37.644 20.579 1.00 8.37 C +ATOM 74 O VAL P 30 23.410 37.904 21.501 1.00 8.40 O +ATOM 75 CB VAL P 30 20.699 39.325 20.518 1.00 8.98 C +ATOM 76 CG1 VAL P 30 21.274 39.854 19.212 1.00 10.59 C +ATOM 77 CG2 VAL P 30 19.183 39.474 20.539 1.00 10.61 C +ATOM 78 N GLY P 31 23.005 37.141 19.414 1.00 8.55 N +ATOM 79 CA GLY P 31 24.409 36.919 19.069 1.00 9.62 C +ATOM 80 C GLY P 31 24.907 35.525 19.363 1.00 9.71 C +ATOM 81 O GLY P 31 26.024 35.179 18.982 1.00 10.59 O +ATOM 82 N SER P 32 24.108 34.715 20.046 1.00 9.30 N +ATOM 83 CA SER P 32 24.561 33.374 20.354 1.00 9.53 C +ATOM 84 C SER P 32 24.230 32.423 19.224 1.00 8.71 C +ATOM 85 O SER P 32 23.496 32.775 18.294 1.00 9.33 O +ATOM 86 CB SER P 32 23.950 32.918 21.656 1.00 10.97 C +ATOM 87 OG SER P 32 22.571 32.729 21.471 1.00 15.46 O +ATOM 88 N SER P 33 24.798 31.224 19.319 1.00 8.00 N +ATOM 89 CA SER P 33 24.592 30.201 18.312 1.00 8.15 C +ATOM 90 C SER P 33 24.100 28.920 18.964 1.00 8.04 C +ATOM 91 O SER P 33 24.396 28.653 20.137 1.00 8.71 O +ATOM 92 CB SER P 33 25.887 29.927 17.549 1.00 8.54 C +ATOM 93 OG SER P 33 26.323 31.079 16.840 1.00 8.67 O +ATOM 94 N ILE P 34 23.365 28.127 18.190 1.00 7.68 N +ATOM 95 CA ILE P 34 22.794 26.880 18.678 1.00 7.94 C +ATOM 96 C ILE P 34 23.011 25.773 17.649 1.00 7.06 C +ATOM 97 O ILE P 34 23.112 26.019 16.447 1.00 6.79 O +ATOM 98 CB ILE P 34 21.286 27.015 18.999 1.00 8.28 C +ATOM 99 CG1 ILE P 34 20.476 27.457 17.777 1.00 10.71 C +ATOM 100 CG2 ILE P 34 21.069 27.960 20.208 1.00 10.76 C +ATOM 101 CD1 ILE P 34 18.967 27.376 17.970 1.00 11.85 C +ATOM 102 N LEU P 35 23.090 24.546 18.160 1.00 6.76 N +ATOM 103 CA LEU P 35 23.067 23.320 17.353 1.00 6.95 C +ATOM 104 C LEU P 35 21.906 22.457 17.792 1.00 6.90 C +ATOM 105 O LEU P 35 21.749 22.202 18.996 1.00 8.51 O +ATOM 106 CB LEU P 35 24.368 22.538 17.551 1.00 7.56 C +ATOM 107 CG LEU P 35 25.623 23.261 17.051 1.00 6.66 C +ATOM 108 CD1 LEU P 35 26.870 22.469 17.441 1.00 9.04 C +ATOM 109 CD2 LEU P 35 25.578 23.433 15.560 1.00 8.43 C +ATOM 110 N VAL P 36 21.076 22.047 16.831 1.00 7.15 N +ATOM 111 CA VAL P 36 19.910 21.207 17.095 1.00 7.53 C +ATOM 112 C VAL P 36 20.063 19.957 16.233 1.00 6.98 C +ATOM 113 O VAL P 36 20.514 20.034 15.095 1.00 7.41 O +ATOM 114 CB VAL P 36 18.619 21.960 16.723 1.00 8.02 C +ATOM 115 CG1 VAL P 36 17.429 20.998 16.510 1.00 8.66 C +ATOM 116 CG2 VAL P 36 18.281 22.989 17.802 1.00 9.27 C +ATOM 117 N GLN P 37 19.689 18.808 16.775 1.00 6.91 N +ATOM 118 CA GLN P 37 19.747 17.566 16.014 1.00 7.62 C +ATOM 119 C GLN P 37 18.352 16.999 15.928 1.00 7.40 C +ATOM 120 O GLN P 37 17.653 16.813 16.933 1.00 9.56 O +ATOM 121 CB GLN P 37 20.666 16.576 16.695 1.00 8.28 C +ATOM 122 CG GLN P 37 20.912 17.004 18.147 1.00 15.27 C +ATOM 123 CD GLN P 37 22.181 17.881 18.475 1.00 13.36 C +ATOM 124 OE1 GLN P 37 22.633 17.756 19.584 1.00 20.90 O +ATOM 125 NE2 GLN P 37 22.694 18.809 17.563 1.00 9.67 N +ATOM 126 N CYS P 38 17.937 16.756 14.702 1.00 6.95 N +ATOM 127 CA CYS P 38 16.702 16.069 14.443 1.00 7.29 C +ATOM 128 C CYS P 38 17.074 14.685 13.926 1.00 7.75 C +ATOM 129 O CYS P 38 18.159 14.495 13.370 1.00 8.83 O +ATOM 130 CB CYS P 38 15.883 16.831 13.409 1.00 7.15 C +ATOM 131 SG CYS P 38 15.346 18.445 14.048 1.00 8.15 S +ATOM 132 N HIS P 39 16.178 13.721 14.084 1.00 8.33 N +ATOM 133 CA HIS P 39 16.487 12.335 13.779 1.00 8.91 C +ATOM 134 C HIS P 39 15.368 11.781 12.931 1.00 9.14 C +ATOM 135 O HIS P 39 14.178 12.061 13.175 1.00 10.31 O +ATOM 136 CB HIS P 39 16.652 11.533 15.073 1.00 9.24 C +ATOM 137 CG HIS P 39 17.663 12.127 16.007 1.00 9.45 C +ATOM 138 ND1 HIS P 39 17.308 12.794 17.155 1.00 11.07 N +ATOM 139 CD2 HIS P 39 19.017 12.187 15.942 1.00 10.32 C +ATOM 140 CE1 HIS P 39 18.398 13.216 17.776 1.00 11.65 C +ATOM 141 NE2 HIS P 39 19.447 12.869 17.056 1.00 10.44 N +ATOM 142 N TYR P 40 15.741 11.011 11.913 1.00 9.49 N +ATOM 143 CA TYR P 40 14.756 10.388 11.047 1.00 9.92 C +ATOM 144 C TYR P 40 15.103 8.911 10.874 1.00 10.49 C +ATOM 145 O TYR P 40 16.199 8.464 11.231 1.00 10.86 O +ATOM 146 CB TYR P 40 14.658 11.127 9.694 1.00 9.44 C +ATOM 147 CG TYR P 40 15.944 11.083 8.905 1.00 8.31 C +ATOM 148 CD1 TYR P 40 16.900 12.096 9.017 1.00 8.44 C +ATOM 149 CD2 TYR P 40 16.239 9.983 8.101 1.00 9.49 C +ATOM 150 CE1 TYR P 40 18.091 12.030 8.306 1.00 8.83 C +ATOM 151 CE2 TYR P 40 17.433 9.895 7.404 1.00 9.25 C +ATOM 152 CZ TYR P 40 18.346 10.927 7.494 1.00 8.95 C +ATOM 153 OH TYR P 40 19.529 10.806 6.806 1.00 9.49 O +ATOM 154 N ARG P 41 14.145 8.151 10.353 1.00 11.45 N +ATOM 155 CA ARG P 41 14.289 6.699 10.215 1.00 13.98 C +ATOM 156 C ARG P 41 15.236 6.348 9.065 1.00 14.05 C +ATOM 157 O ARG P 41 15.249 7.023 8.033 1.00 13.15 O +ATOM 158 CB ARG P 41 12.911 6.057 9.964 1.00 15.04 C +ATOM 159 CG ARG P 41 11.908 6.258 11.094 1.00 17.67 C +ATOM 160 CD ARG P 41 10.514 5.675 10.803 1.00 18.73 C +ATOM 161 NE ARG P 41 9.516 6.226 11.724 1.00 26.62 N +ATOM 162 CZ ARG P 41 8.238 5.847 11.808 1.00 28.73 C +ATOM 163 NH1 ARG P 41 7.747 4.890 11.020 1.00 31.23 N +ATOM 164 NH2 ARG P 41 7.439 6.432 12.696 1.00 31.07 N +ATOM 165 N LEU P 42 15.993 5.259 9.219 1.00 14.68 N +ATOM 166 CA LEU P 42 16.924 4.835 8.166 1.00 16.56 C +ATOM 167 C LEU P 42 16.231 4.595 6.826 1.00 16.58 C +ATOM 168 O LEU P 42 16.808 4.846 5.768 1.00 18.04 O +ATOM 169 CB LEU P 42 17.692 3.588 8.589 1.00 16.68 C +ATOM 170 CG LEU P 42 18.856 3.836 9.538 1.00 19.40 C +ATOM 171 CD1 LEU P 42 19.407 2.526 10.063 1.00 21.00 C +ATOM 172 CD2 LEU P 42 19.951 4.640 8.815 1.00 20.70 C +ATOM 173 N GLN P 43 14.978 4.153 6.889 1.00 16.43 N +ATOM 174 CA GLN P 43 14.139 3.933 5.710 1.00 16.47 C +ATOM 175 C GLN P 43 13.974 5.208 4.879 1.00 15.54 C +ATOM 176 O GLN P 43 13.640 5.138 3.690 1.00 16.66 O +ATOM 177 CB GLN P 43 12.752 3.397 6.127 1.00 16.42 C +ATOM 178 CG GLN P 43 12.708 1.932 6.603 1.00 18.58 C +ATOM 179 CD GLN P 43 12.927 1.749 8.109 1.00 19.15 C +ATOM 180 OE1 GLN P 43 12.797 0.639 8.624 1.00 22.65 O +ATOM 181 NE2 GLN P 43 13.264 2.823 8.812 1.00 18.07 N +ATOM 182 N ASP P 44 14.222 6.360 5.507 1.00 14.43 N +ATOM 183 CA ASP P 44 13.937 7.664 4.919 1.00 12.87 C +ATOM 184 C ASP P 44 15.189 8.456 4.512 1.00 12.22 C +ATOM 185 O ASP P 44 15.104 9.659 4.300 1.00 11.33 O +ATOM 186 CB ASP P 44 13.062 8.470 5.893 1.00 13.20 C +ATOM 187 CG ASP P 44 11.678 7.861 6.084 1.00 13.63 C +ATOM 188 OD1 ASP P 44 11.086 8.090 7.150 1.00 14.27 O +ATOM 189 OD2 ASP P 44 11.186 7.170 5.171 1.00 16.80 O +ATOM 190 N VAL P 45 16.341 7.800 4.378 1.00 12.72 N +ATOM 191 CA VAL P 45 17.534 8.514 3.933 1.00 13.33 C +ATOM 192 C VAL P 45 17.322 9.239 2.598 1.00 12.36 C +ATOM 193 O VAL P 45 17.775 10.372 2.435 1.00 12.19 O +ATOM 194 CB VAL P 45 18.787 7.582 3.858 1.00 13.87 C +ATOM 195 CG1 VAL P 45 19.926 8.221 3.048 1.00 15.40 C +ATOM 196 CG2 VAL P 45 19.275 7.239 5.255 1.00 15.56 C +ATOM 197 N LYS P 46 16.610 8.601 1.665 1.00 11.73 N +ATOM 198 CA LYS P 46 16.421 9.172 0.326 1.00 12.30 C +ATOM 199 C LYS P 46 15.384 10.288 0.270 1.00 11.23 C +ATOM 200 O LYS P 46 15.347 11.049 -0.699 1.00 12.10 O +ATOM 201 CB LYS P 46 16.044 8.091 -0.688 1.00 14.05 C +ATOM 202 CG LYS P 46 17.054 6.971 -0.804 1.00 16.22 C +ATOM 203 CD LYS P 46 16.792 6.103 -2.024 1.00 22.46 C +ATOM 204 CE LYS P 46 17.834 6.349 -3.102 1.00 25.81 C +ATOM 205 NZ LYS P 46 19.199 5.946 -2.645 1.00 28.23 N +ATOM 206 N ALA P 47 14.538 10.391 1.289 1.00 9.08 N +ATOM 207 CA ALA P 47 13.509 11.431 1.307 1.00 8.71 C +ATOM 208 C ALA P 47 14.119 12.789 1.597 1.00 7.59 C +ATOM 209 O ALA P 47 15.084 12.883 2.361 1.00 8.54 O +ATOM 210 CB ALA P 47 12.505 11.102 2.376 1.00 9.05 C +ATOM 211 N GLN P 48 13.535 13.859 1.061 1.00 7.26 N +ATOM 212 CA GLN P 48 13.923 15.175 1.542 1.00 7.69 C +ATOM 213 C GLN P 48 13.346 15.416 2.932 1.00 7.14 C +ATOM 214 O GLN P 48 12.256 14.936 3.274 1.00 7.10 O +ATOM 215 CB GLN P 48 13.560 16.315 0.573 1.00 8.72 C +ATOM 216 CG GLN P 48 12.074 16.654 0.530 1.00 8.69 C +ATOM 217 CD GLN P 48 11.744 17.916 -0.261 1.00 8.89 C +ATOM 218 OE1 GLN P 48 10.653 18.488 -0.131 1.00 11.12 O +ATOM 219 NE2 GLN P 48 12.644 18.320 -1.125 1.00 11.42 N +ATOM 220 N LYS P 49 14.106 16.165 3.709 1.00 6.51 N +ATOM 221 CA LYS P 49 13.651 16.663 4.991 1.00 6.65 C +ATOM 222 C LYS P 49 13.588 18.165 4.893 1.00 6.49 C +ATOM 223 O LYS P 49 14.146 18.747 3.970 1.00 7.08 O +ATOM 224 CB LYS P 49 14.548 16.203 6.151 1.00 7.30 C +ATOM 225 CG LYS P 49 14.573 14.692 6.358 1.00 9.51 C +ATOM 226 CD LYS P 49 15.710 14.063 5.512 1.00 11.33 C +ATOM 227 CE LYS P 49 15.645 12.556 5.525 1.00 11.17 C +ATOM 228 NZ LYS P 49 16.622 12.123 4.521 1.00 8.55 N +ATOM 229 N VAL P 50 12.863 18.793 5.814 1.00 6.66 N +ATOM 230 CA VAL P 50 12.579 20.214 5.725 1.00 7.54 C +ATOM 231 C VAL P 50 12.699 20.841 7.107 1.00 7.39 C +ATOM 232 O VAL P 50 12.288 20.260 8.109 1.00 7.91 O +ATOM 233 CB VAL P 50 11.139 20.424 5.136 1.00 8.45 C +ATOM 234 CG1 VAL P 50 10.716 21.877 5.153 1.00 10.10 C +ATOM 235 CG2 VAL P 50 11.060 19.859 3.696 1.00 10.62 C +ATOM 236 N TRP P 51 13.269 22.042 7.154 1.00 5.97 N +ATOM 237 CA TRP P 51 13.220 22.909 8.341 1.00 6.72 C +ATOM 238 C TRP P 51 12.172 23.960 8.053 1.00 6.61 C +ATOM 239 O TRP P 51 12.192 24.594 6.989 1.00 6.90 O +ATOM 240 CB TRP P 51 14.569 23.581 8.522 1.00 7.64 C +ATOM 241 CG TRP P 51 14.685 24.582 9.643 1.00 7.43 C +ATOM 242 CD1 TRP P 51 14.814 25.928 9.497 1.00 8.46 C +ATOM 243 CD2 TRP P 51 14.746 24.324 11.055 1.00 7.92 C +ATOM 244 NE1 TRP P 51 14.942 26.535 10.735 1.00 8.48 N +ATOM 245 CE2 TRP P 51 14.928 25.567 11.704 1.00 8.00 C +ATOM 246 CE3 TRP P 51 14.662 23.165 11.832 1.00 7.76 C +ATOM 247 CZ2 TRP P 51 15.029 25.687 13.082 1.00 8.03 C +ATOM 248 CZ3 TRP P 51 14.771 23.282 13.226 1.00 8.54 C +ATOM 249 CH2 TRP P 51 14.961 24.538 13.829 1.00 8.88 C +ATOM 250 N CYS P 52 11.229 24.104 8.973 1.00 6.95 N +ATOM 251 CA CYS P 52 10.097 24.992 8.772 1.00 6.69 C +ATOM 252 C CYS P 52 9.840 25.827 9.996 1.00 6.25 C +ATOM 253 O CYS P 52 10.256 25.482 11.104 1.00 6.67 O +ATOM 254 CB CYS P 52 8.831 24.209 8.391 1.00 7.24 C +ATOM 255 SG CYS P 52 8.251 22.980 9.604 1.00 8.98 S +ATOM 256 N ARG P 53 9.175 26.962 9.790 1.00 6.44 N +ATOM 257 CA ARG P 53 8.813 27.848 10.888 1.00 6.96 C +ATOM 258 C ARG P 53 7.318 27.830 11.109 1.00 6.69 C +ATOM 259 O ARG P 53 6.553 28.054 10.175 1.00 6.92 O +ATOM 260 CB ARG P 53 9.285 29.271 10.580 1.00 7.53 C +ATOM 261 CG ARG P 53 9.083 30.239 11.730 1.00 8.34 C +ATOM 262 CD ARG P 53 9.739 31.565 11.421 1.00 10.75 C +ATOM 263 NE ARG P 53 9.802 32.402 12.613 1.00 10.51 N +ATOM 264 CZ ARG P 53 10.632 33.434 12.762 1.00 10.48 C +ATOM 265 NH1 ARG P 53 11.469 33.775 11.790 1.00 11.00 N +ATOM 266 NH2 ARG P 53 10.632 34.120 13.888 1.00 12.18 N +ATOM 267 N PHE P 54 6.886 27.598 12.348 1.00 6.60 N +ATOM 268 CA PHE P 54 5.455 27.620 12.664 1.00 6.93 C +ATOM 269 C PHE P 54 4.924 29.037 12.633 1.00 7.49 C +ATOM 270 O PHE P 54 5.341 29.898 13.408 1.00 8.56 O +ATOM 271 CB PHE P 54 5.167 26.961 14.009 1.00 7.33 C +ATOM 272 CG PHE P 54 5.324 25.471 14.004 1.00 6.45 C +ATOM 273 CD1 PHE P 54 6.443 24.852 14.558 1.00 7.90 C +ATOM 274 CD2 PHE P 54 4.323 24.674 13.440 1.00 8.36 C +ATOM 275 CE1 PHE P 54 6.548 23.457 14.564 1.00 8.19 C +ATOM 276 CE2 PHE P 54 4.431 23.290 13.433 1.00 7.89 C +ATOM 277 CZ PHE P 54 5.541 22.683 14.024 1.00 9.24 C +ATOM 278 N LEU P 55 3.989 29.260 11.728 1.00 7.75 N +ATOM 279 CA LEU P 55 3.338 30.544 11.539 1.00 9.44 C +ATOM 280 C LEU P 55 1.821 30.285 11.635 1.00 9.74 C +ATOM 281 O LEU P 55 1.402 29.131 11.692 1.00 9.51 O +ATOM 282 CB LEU P 55 3.765 31.114 10.173 1.00 10.65 C +ATOM 283 CG LEU P 55 5.249 31.504 10.029 1.00 13.08 C +ATOM 284 CD1 LEU P 55 5.541 31.975 8.622 1.00 15.62 C +ATOM 285 CD2 LEU P 55 5.690 32.548 11.052 1.00 15.77 C +ATOM 286 N PRO P 56 0.989 31.341 11.694 1.00 10.42 N +ATOM 287 CA PRO P 56 -0.464 31.088 11.853 1.00 11.29 C +ATOM 288 C PRO P 56 -1.070 30.120 10.836 1.00 11.43 C +ATOM 289 O PRO P 56 -1.981 29.364 11.174 1.00 12.50 O +ATOM 290 CB PRO P 56 -1.079 32.493 11.747 1.00 11.77 C +ATOM 291 CG PRO P 56 -0.016 33.375 12.247 1.00 12.56 C +ATOM 292 CD PRO P 56 1.283 32.789 11.745 1.00 11.35 C +ATOM 293 N GLU P 57 -0.549 30.093 9.613 1.00 11.27 N +ATOM 294 CA GLU P 57 -1.100 29.177 8.596 1.00 12.37 C +ATOM 295 C GLU P 57 -0.645 27.712 8.724 1.00 11.08 C +ATOM 296 O GLU P 57 -1.378 26.798 8.312 1.00 10.85 O +ATOM 297 CB GLU P 57 -0.817 29.705 7.183 1.00 13.72 C +ATOM 298 CG GLU P 57 -1.311 28.826 6.013 1.00 17.42 C +ATOM 299 CD GLU P 57 -2.826 28.579 5.985 1.00 21.72 C +ATOM 300 OE1 GLU P 57 -3.605 29.406 6.525 1.00 24.14 O +ATOM 301 OE2 GLU P 57 -3.237 27.548 5.401 1.00 23.18 O +ATOM 302 N GLY P 58 0.551 27.493 9.268 1.00 9.45 N +ATOM 303 CA GLY P 58 1.158 26.171 9.271 1.00 9.07 C +ATOM 304 C GLY P 58 2.658 26.311 9.400 1.00 7.88 C +ATOM 305 O GLY P 58 3.183 27.422 9.591 1.00 8.60 O +ATOM 306 N CYS P 59 3.351 25.186 9.340 1.00 8.07 N +ATOM 307 CA CYS P 59 4.806 25.189 9.430 1.00 8.30 C +ATOM 308 C CYS P 59 5.362 25.491 8.052 1.00 8.15 C +ATOM 309 O CYS P 59 5.374 24.620 7.176 1.00 9.58 O +ATOM 310 CB CYS P 59 5.312 23.849 9.970 1.00 8.44 C +ATOM 311 SG CYS P 59 6.953 24.019 10.795 1.00 8.54 S +ATOM 312 N GLN P 60 5.802 26.732 7.879 1.00 7.75 N +ATOM 313 CA GLN P 60 6.240 27.258 6.580 1.00 8.77 C +ATOM 314 C GLN P 60 7.616 26.709 6.226 1.00 7.21 C +ATOM 315 O GLN P 60 8.565 26.968 6.950 1.00 7.01 O +ATOM 316 CB GLN P 60 6.324 28.793 6.663 1.00 8.87 C +ATOM 317 CG GLN P 60 6.844 29.462 5.393 1.00 14.40 C +ATOM 318 CD GLN P 60 5.746 29.855 4.414 1.00 20.48 C +ATOM 319 OE1 GLN P 60 4.585 29.441 4.546 1.00 24.04 O +ATOM 320 NE2 GLN P 60 6.105 30.669 3.428 1.00 24.17 N +ATOM 321 N PRO P 61 7.745 25.953 5.119 1.00 7.66 N +ATOM 322 CA PRO P 61 9.074 25.443 4.772 1.00 8.70 C +ATOM 323 C PRO P 61 10.087 26.541 4.479 1.00 8.13 C +ATOM 324 O PRO P 61 9.788 27.470 3.727 1.00 9.17 O +ATOM 325 CB PRO P 61 8.802 24.619 3.509 1.00 9.19 C +ATOM 326 CG PRO P 61 7.357 24.253 3.603 1.00 11.60 C +ATOM 327 CD PRO P 61 6.715 25.471 4.182 1.00 9.34 C +ATOM 328 N LEU P 62 11.272 26.426 5.071 1.00 7.56 N +ATOM 329 CA LEU P 62 12.353 27.393 4.845 1.00 7.28 C +ATOM 330 C LEU P 62 13.451 26.808 3.972 1.00 7.44 C +ATOM 331 O LEU P 62 13.997 27.509 3.117 1.00 8.70 O +ATOM 332 CB LEU P 62 12.946 27.879 6.177 1.00 7.90 C +ATOM 333 CG LEU P 62 11.959 28.556 7.135 1.00 9.57 C +ATOM 334 CD1 LEU P 62 12.610 28.887 8.467 1.00 10.06 C +ATOM 335 CD2 LEU P 62 11.329 29.797 6.513 1.00 13.13 C +ATOM 336 N VAL P 63 13.755 25.515 4.131 1.00 6.75 N +ATOM 337 CA VAL P 63 14.768 24.872 3.306 1.00 7.40 C +ATOM 338 C VAL P 63 14.568 23.374 3.355 1.00 7.19 C +ATOM 339 O VAL P 63 14.114 22.834 4.383 1.00 7.34 O +ATOM 340 CB VAL P 63 16.203 25.290 3.744 1.00 8.00 C +ATOM 341 CG1 VAL P 63 16.544 24.723 5.139 1.00 10.77 C +ATOM 342 CG2 VAL P 63 17.237 24.933 2.661 1.00 10.54 C +ATOM 343 N SER P 64 14.892 22.709 2.251 1.00 6.68 N +ATOM 344 CA SER P 64 14.901 21.261 2.232 1.00 7.26 C +ATOM 345 C SER P 64 16.340 20.735 2.192 1.00 6.90 C +ATOM 346 O SER P 64 17.282 21.445 1.832 1.00 7.55 O +ATOM 347 CB SER P 64 14.076 20.707 1.073 1.00 9.42 C +ATOM 348 OG SER P 64 14.585 21.139 -0.153 1.00 9.51 O +ATOM 349 N SER P 65 16.491 19.467 2.544 1.00 6.22 N +ATOM 350 CA SER P 65 17.793 18.855 2.721 1.00 6.80 C +ATOM 351 C SER P 65 18.290 18.107 1.510 1.00 7.08 C +ATOM 352 O SER P 65 17.521 17.730 0.627 1.00 7.54 O +ATOM 353 CB SER P 65 17.721 17.904 3.925 1.00 7.00 C +ATOM 354 OG SER P 65 16.900 16.780 3.623 1.00 7.89 O +ATOM 355 N ALA P 66 19.596 17.887 1.495 1.00 6.55 N +ATOM 356 CA ALA P 66 20.269 17.003 0.536 1.00 7.93 C +ATOM 357 C ALA P 66 21.422 16.355 1.266 1.00 7.76 C +ATOM 358 O ALA P 66 22.118 17.011 2.050 1.00 7.41 O +ATOM 359 CB ALA P 66 20.750 17.771 -0.674 1.00 9.73 C +ATOM 360 N VAL P 67 21.620 15.055 1.043 1.00 8.68 N +ATOM 361 CA VAL P 67 22.597 14.312 1.832 1.00 8.86 C +ATOM 362 C VAL P 67 24.000 14.902 1.661 1.00 7.56 C +ATOM 363 O VAL P 67 24.494 15.099 0.534 1.00 8.02 O +ATOM 364 CB VAL P 67 22.581 12.813 1.493 1.00 9.93 C +ATOM 365 CG1 VAL P 67 23.728 12.104 2.193 1.00 11.96 C +ATOM 366 CG2 VAL P 67 21.248 12.199 1.913 1.00 12.55 C +ATOM 367 N ASP P 68 24.604 15.203 2.812 1.00 7.59 N +ATOM 368 CA ASP P 68 25.946 15.758 2.978 1.00 7.72 C +ATOM 369 C ASP P 68 26.088 17.214 2.621 1.00 7.30 C +ATOM 370 O ASP P 68 27.184 17.761 2.717 1.00 8.35 O +ATOM 371 CB ASP P 68 27.030 14.921 2.290 1.00 9.27 C +ATOM 372 CG ASP P 68 28.261 14.753 3.165 1.00 10.15 C +ATOM 373 OD1 ASP P 68 28.167 14.957 4.391 1.00 12.14 O +ATOM 374 OD2 ASP P 68 29.324 14.407 2.628 1.00 15.24 O +ATOM 375 N ARG P 69 24.989 17.860 2.248 1.00 7.00 N +ATOM 376 CA ARG P 69 25.041 19.252 1.846 1.00 7.33 C +ATOM 377 C ARG P 69 24.547 20.135 2.982 1.00 7.25 C +ATOM 378 O ARG P 69 23.520 19.858 3.613 1.00 7.62 O +ATOM 379 CB ARG P 69 24.141 19.480 0.621 1.00 7.64 C +ATOM 380 CG ARG P 69 24.399 18.581 -0.566 1.00 9.96 C +ATOM 381 CD ARG P 69 25.824 18.732 -1.004 1.00 11.09 C +ATOM 382 NE ARG P 69 26.179 18.077 -2.274 1.00 11.79 N +ATOM 383 CZ ARG P 69 26.479 16.780 -2.422 1.00 10.89 C +ATOM 384 NH1 ARG P 69 26.426 15.933 -1.392 1.00 12.92 N +ATOM 385 NH2 ARG P 69 26.887 16.338 -3.609 1.00 11.27 N +ATOM 386 N ARG P 70 25.272 21.228 3.204 1.00 6.84 N +ATOM 387 CA ARG P 70 24.845 22.232 4.169 1.00 7.55 C +ATOM 388 C ARG P 70 23.921 23.194 3.427 1.00 7.77 C +ATOM 389 O ARG P 70 24.379 24.006 2.637 1.00 9.62 O +ATOM 390 CB ARG P 70 26.071 22.949 4.739 1.00 7.50 C +ATOM 391 CG ARG P 70 25.758 23.898 5.895 1.00 8.33 C +ATOM 392 CD ARG P 70 27.066 24.493 6.423 1.00 8.82 C +ATOM 393 NE ARG P 70 26.925 25.222 7.688 1.00 8.72 N +ATOM 394 CZ ARG P 70 27.170 26.513 7.849 1.00 11.12 C +ATOM 395 NH1 ARG P 70 27.451 27.285 6.812 1.00 11.81 N +ATOM 396 NH2 ARG P 70 27.090 27.042 9.063 1.00 12.93 N +ATOM 397 N ALA P 71 22.628 23.079 3.699 1.00 7.67 N +ATOM 398 CA ALA P 71 21.611 23.813 2.963 1.00 7.98 C +ATOM 399 C ALA P 71 21.183 25.067 3.726 1.00 7.78 C +ATOM 400 O ALA P 71 20.681 24.979 4.848 1.00 7.46 O +ATOM 401 CB ALA P 71 20.421 22.903 2.730 1.00 7.15 C +ATOM 402 N PRO P 72 21.384 26.261 3.137 1.00 8.34 N +ATOM 403 CA PRO P 72 21.025 27.471 3.881 1.00 10.01 C +ATOM 404 C PRO P 72 19.543 27.826 3.853 1.00 10.58 C +ATOM 405 O PRO P 72 18.865 27.703 2.831 1.00 11.46 O +ATOM 406 CB PRO P 72 21.833 28.585 3.176 1.00 11.02 C +ATOM 407 CG PRO P 72 22.712 27.904 2.228 1.00 13.62 C +ATOM 408 CD PRO P 72 22.079 26.589 1.883 1.00 9.51 C +ATOM 409 N ALA P 73 19.070 28.298 4.994 1.00 12.09 N +ATOM 410 CA ALA P 73 17.844 29.072 5.042 1.00 14.73 C +ATOM 411 C ALA P 73 18.233 30.473 5.525 1.00 15.18 C +ATOM 412 O ALA P 73 19.054 30.615 6.443 1.00 17.94 O +ATOM 413 CB ALA P 73 16.867 28.425 5.985 1.00 15.01 C +ATOM 414 N GLY P 74 17.629 31.508 4.961 1.00 18.28 N +ATOM 415 CA GLY P 74 17.956 32.864 5.373 1.00 19.11 C +ATOM 416 C GLY P 74 19.453 33.099 5.337 1.00 19.81 C +ATOM 417 O GLY P 74 20.128 32.684 4.405 1.00 21.17 O +ATOM 418 N ARG P 75 19.973 33.762 6.365 1.00 18.89 N +ATOM 419 CA ARG P 75 21.396 34.110 6.435 1.00 18.28 C +ATOM 420 C ARG P 75 22.120 33.381 7.563 1.00 17.18 C +ATOM 421 O ARG P 75 23.357 33.326 7.612 1.00 17.57 O +ATOM 422 CB ARG P 75 21.535 35.616 6.656 1.00 19.48 C +ATOM 423 CG ARG P 75 20.961 36.441 5.531 1.00 23.02 C +ATOM 424 CD ARG P 75 20.404 37.749 6.035 1.00 28.14 C +ATOM 425 NE ARG P 75 19.437 38.295 5.084 1.00 31.58 N +ATOM 426 CZ ARG P 75 18.742 39.413 5.268 1.00 32.99 C +ATOM 427 NH1 ARG P 75 18.897 40.135 6.372 1.00 34.13 N +ATOM 428 NH2 ARG P 75 17.889 39.812 4.338 1.00 34.45 N +ATOM 429 N ARG P 76 21.344 32.814 8.478 1.00 14.52 N +ATOM 430 CA ARG P 76 21.924 32.331 9.708 1.00 14.16 C +ATOM 431 C ARG P 76 21.538 30.914 10.093 1.00 12.03 C +ATOM 432 O ARG P 76 21.945 30.448 11.132 1.00 11.38 O +ATOM 433 CB ARG P 76 21.614 33.337 10.814 1.00 14.98 C +ATOM 434 CG ARG P 76 22.481 34.611 10.687 1.00 18.12 C +ATOM 435 CD ARG P 76 22.030 35.784 11.524 1.00 19.05 C +ATOM 436 NE ARG P 76 20.737 36.283 11.083 1.00 23.98 N +ATOM 437 CZ ARG P 76 19.592 35.972 11.676 1.00 21.64 C +ATOM 438 NH1 ARG P 76 19.607 35.182 12.733 1.00 25.49 N +ATOM 439 NH2 ARG P 76 18.442 36.460 11.220 1.00 24.04 N +ATOM 440 N THR P 77 20.790 30.235 9.230 1.00 10.39 N +ATOM 441 CA THR P 77 20.312 28.892 9.517 1.00 10.26 C +ATOM 442 C THR P 77 20.777 27.960 8.422 1.00 9.15 C +ATOM 443 O THR P 77 20.751 28.304 7.232 1.00 10.24 O +ATOM 444 CB THR P 77 18.776 28.856 9.596 1.00 10.88 C +ATOM 445 OG1 THR P 77 18.344 29.706 10.659 1.00 14.39 O +ATOM 446 CG2 THR P 77 18.261 27.441 9.849 1.00 11.65 C +ATOM 447 N PHE P 78 21.167 26.767 8.837 1.00 7.86 N +ATOM 448 CA PHE P 78 21.681 25.747 7.923 1.00 7.85 C +ATOM 449 C PHE P 78 21.154 24.390 8.333 1.00 7.56 C +ATOM 450 O PHE P 78 21.106 24.061 9.524 1.00 8.30 O +ATOM 451 CB PHE P 78 23.213 25.769 7.883 1.00 8.87 C +ATOM 452 CG PHE P 78 23.752 27.118 7.562 1.00 10.26 C +ATOM 453 CD1 PHE P 78 24.013 28.030 8.578 1.00 10.73 C +ATOM 454 CD2 PHE P 78 23.942 27.503 6.247 1.00 11.88 C +ATOM 455 CE1 PHE P 78 24.478 29.300 8.290 1.00 12.99 C +ATOM 456 CE2 PHE P 78 24.413 28.768 5.957 1.00 14.00 C +ATOM 457 CZ PHE P 78 24.670 29.665 6.981 1.00 13.27 C +ATOM 458 N LEU P 79 20.755 23.607 7.338 1.00 6.54 N +ATOM 459 CA LEU P 79 20.227 22.268 7.511 1.00 7.17 C +ATOM 460 C LEU P 79 21.098 21.267 6.783 1.00 6.80 C +ATOM 461 O LEU P 79 21.206 21.347 5.556 1.00 6.60 O +ATOM 462 CB LEU P 79 18.806 22.205 6.962 1.00 7.44 C +ATOM 463 CG LEU P 79 18.088 20.863 7.100 1.00 8.03 C +ATOM 464 CD1 LEU P 79 17.772 20.597 8.565 1.00 9.99 C +ATOM 465 CD2 LEU P 79 16.793 20.847 6.274 1.00 8.50 C +ATOM 466 N THR P 80 21.692 20.321 7.522 1.00 6.77 N +ATOM 467 CA THR P 80 22.575 19.315 6.913 1.00 6.83 C +ATOM 468 C THR P 80 22.105 17.912 7.234 1.00 6.57 C +ATOM 469 O THR P 80 22.149 17.499 8.382 1.00 7.34 O +ATOM 470 CB THR P 80 24.036 19.484 7.388 1.00 6.82 C +ATOM 471 OG1 THR P 80 24.458 20.847 7.230 1.00 7.32 O +ATOM 472 CG2 THR P 80 24.989 18.596 6.585 1.00 6.91 C +ATOM 473 N ASP P 81 21.686 17.159 6.214 1.00 6.52 N +ATOM 474 CA ASP P 81 21.392 15.740 6.391 1.00 6.84 C +ATOM 475 C ASP P 81 22.717 14.991 6.280 1.00 7.15 C +ATOM 476 O ASP P 81 23.346 14.986 5.213 1.00 7.76 O +ATOM 477 CB ASP P 81 20.392 15.280 5.319 1.00 6.61 C +ATOM 478 CG ASP P 81 19.996 13.829 5.465 1.00 7.56 C +ATOM 479 OD1 ASP P 81 20.576 13.123 6.329 1.00 7.61 O +ATOM 480 OD2 ASP P 81 19.105 13.407 4.695 1.00 9.12 O +ATOM 481 N LEU P 82 23.191 14.427 7.391 1.00 7.39 N +ATOM 482 CA LEU P 82 24.464 13.704 7.380 1.00 8.48 C +ATOM 483 C LEU P 82 24.336 12.328 6.788 1.00 9.71 C +ATOM 484 O LEU P 82 25.335 11.652 6.546 1.00 11.23 O +ATOM 485 CB LEU P 82 25.069 13.580 8.787 1.00 9.17 C +ATOM 486 CG LEU P 82 25.887 14.766 9.312 1.00 8.97 C +ATOM 487 CD1 LEU P 82 27.045 15.126 8.390 1.00 9.77 C +ATOM 488 CD2 LEU P 82 25.002 15.977 9.597 1.00 9.57 C +ATOM 489 N GLY P 83 23.103 11.908 6.537 1.00 9.48 N +ATOM 490 CA GLY P 83 22.857 10.498 6.266 1.00 11.53 C +ATOM 491 C GLY P 83 22.646 9.750 7.567 1.00 10.62 C +ATOM 492 O GLY P 83 22.806 10.294 8.665 1.00 11.67 O +ATOM 493 N GLY P 84 22.296 8.483 7.453 1.00 11.41 N +ATOM 494 CA GLY P 84 22.204 7.636 8.607 1.00 11.60 C +ATOM 495 C GLY P 84 21.216 8.033 9.676 1.00 11.30 C +ATOM 496 O GLY P 84 21.297 7.516 10.784 1.00 12.53 O +ATOM 497 N GLY P 85 20.304 8.960 9.378 1.00 10.06 N +ATOM 498 CA GLY P 85 19.294 9.337 10.360 1.00 9.30 C +ATOM 499 C GLY P 85 19.528 10.655 11.075 1.00 8.56 C +ATOM 500 O GLY P 85 18.677 11.069 11.842 1.00 9.41 O +ATOM 501 N LEU P 86 20.671 11.299 10.848 1.00 8.27 N +ATOM 502 CA LEU P 86 20.968 12.577 11.500 1.00 7.66 C +ATOM 503 C LEU P 86 20.710 13.772 10.592 1.00 6.78 C +ATOM 504 O LEU P 86 21.282 13.875 9.500 1.00 7.13 O +ATOM 505 CB LEU P 86 22.419 12.627 11.984 1.00 7.87 C +ATOM 506 CG LEU P 86 22.830 13.968 12.579 1.00 8.32 C +ATOM 507 CD1 LEU P 86 22.059 14.301 13.864 1.00 9.20 C +ATOM 508 CD2 LEU P 86 24.339 13.957 12.826 1.00 9.91 C +ATOM 509 N LEU P 87 19.862 14.672 11.076 1.00 6.37 N +ATOM 510 CA LEU P 87 19.597 15.962 10.468 1.00 7.81 C +ATOM 511 C LEU P 87 20.088 17.071 11.387 1.00 8.01 C +ATOM 512 O LEU P 87 19.435 17.372 12.387 1.00 10.23 O +ATOM 513 CB LEU P 87 18.094 16.084 10.180 1.00 9.22 C +ATOM 514 CG LEU P 87 17.550 17.211 9.289 1.00 10.25 C +ATOM 515 CD1 LEU P 87 18.098 17.143 7.852 1.00 10.49 C +ATOM 516 CD2 LEU P 87 15.997 17.163 9.319 1.00 9.68 C +ATOM 517 N GLN P 88 21.241 17.639 11.061 1.00 7.58 N +ATOM 518 CA GLN P 88 21.860 18.693 11.834 1.00 7.45 C +ATOM 519 C GLN P 88 21.295 20.062 11.467 1.00 8.08 C +ATOM 520 O GLN P 88 21.222 20.415 10.288 1.00 9.88 O +ATOM 521 CB GLN P 88 23.368 18.658 11.592 1.00 7.33 C +ATOM 522 CG GLN P 88 24.188 19.628 12.430 1.00 8.18 C +ATOM 523 CD GLN P 88 24.129 19.291 13.924 1.00 7.61 C +ATOM 524 OE1 GLN P 88 23.543 20.029 14.749 1.00 8.88 O +ATOM 525 NE2 GLN P 88 24.667 18.151 14.267 1.00 8.00 N +ATOM 526 N VAL P 89 20.889 20.817 12.474 1.00 7.04 N +ATOM 527 CA VAL P 89 20.482 22.188 12.293 1.00 7.23 C +ATOM 528 C VAL P 89 21.480 23.098 13.012 1.00 6.94 C +ATOM 529 O VAL P 89 21.937 22.798 14.119 1.00 6.94 O +ATOM 530 CB VAL P 89 19.057 22.395 12.852 1.00 7.92 C +ATOM 531 CG1 VAL P 89 18.606 23.842 12.711 1.00 10.35 C +ATOM 532 CG2 VAL P 89 18.066 21.467 12.158 1.00 9.45 C +ATOM 533 N GLU P 90 21.825 24.199 12.350 1.00 6.69 N +ATOM 534 CA GLU P 90 22.653 25.250 12.936 1.00 6.62 C +ATOM 535 C GLU P 90 21.900 26.557 12.829 1.00 7.36 C +ATOM 536 O GLU P 90 21.354 26.870 11.775 1.00 7.34 O +ATOM 537 CB GLU P 90 23.968 25.392 12.164 1.00 7.56 C +ATOM 538 CG GLU P 90 24.812 24.137 12.068 1.00 7.56 C +ATOM 539 CD GLU P 90 25.886 24.291 11.020 1.00 8.07 C +ATOM 540 OE1 GLU P 90 25.721 23.736 9.914 1.00 7.84 O +ATOM 541 OE2 GLU P 90 26.838 25.055 11.267 1.00 9.06 O +ATOM 542 N MET P 91 21.834 27.301 13.921 1.00 7.27 N +ATOM 543 CA MET P 91 21.372 28.685 13.835 1.00 9.73 C +ATOM 544 C MET P 91 22.420 29.523 14.520 1.00 9.13 C +ATOM 545 O MET P 91 22.749 29.324 15.696 1.00 9.54 O +ATOM 546 CB MET P 91 20.005 28.917 14.483 1.00 9.94 C +ATOM 547 CG MET P 91 18.883 28.130 13.813 1.00 12.68 C +ATOM 548 SD MET P 91 17.244 28.523 14.450 1.00 15.84 S +ATOM 549 CE MET P 91 17.066 30.243 13.959 1.00 17.52 C +ATOM 550 N VAL P 92 22.978 30.442 13.751 1.00 9.26 N +ATOM 551 CA VAL P 92 24.176 31.132 14.152 1.00 11.37 C +ATOM 552 C VAL P 92 23.915 32.605 14.369 1.00 11.54 C +ATOM 553 O VAL P 92 23.089 33.229 13.688 1.00 13.06 O +ATOM 554 CB VAL P 92 25.317 30.909 13.140 1.00 11.64 C +ATOM 555 CG1 VAL P 92 25.584 29.424 12.945 1.00 13.76 C +ATOM 556 CG2 VAL P 92 25.079 31.638 11.807 1.00 15.01 C +ATOM 557 N THR P 93 24.620 33.164 15.348 1.00 11.41 N +ATOM 558 CA THR P 93 24.530 34.587 15.660 1.00 12.29 C +ATOM 559 C THR P 93 23.075 35.096 15.641 1.00 11.46 C +ATOM 560 O THR P 93 22.687 35.960 14.859 1.00 11.88 O +ATOM 561 CB THR P 93 25.489 35.425 14.784 1.00 12.58 C +ATOM 562 OG1 THR P 93 25.059 35.422 13.424 1.00 16.89 O +ATOM 563 CG2 THR P 93 26.929 34.888 14.872 1.00 15.42 C +ATOM 564 N LEU P 94 22.304 34.558 16.576 1.00 10.64 N +ATOM 565 CA LEU P 94 20.858 34.753 16.599 1.00 10.42 C +ATOM 566 C LEU P 94 20.439 36.203 16.720 1.00 10.80 C +ATOM 567 O LEU P 94 21.076 37.000 17.423 1.00 11.12 O +ATOM 568 CB LEU P 94 20.250 33.940 17.735 1.00 10.66 C +ATOM 569 CG LEU P 94 20.285 32.430 17.535 1.00 11.08 C +ATOM 570 CD1 LEU P 94 20.012 31.700 18.845 1.00 12.45 C +ATOM 571 CD2 LEU P 94 19.277 32.042 16.477 1.00 11.18 C +ATOM 572 N GLN P 95 19.350 36.527 16.035 1.00 10.80 N +ATOM 573 CA GLN P 95 18.801 37.871 16.070 1.00 12.44 C +ATOM 574 C GLN P 95 17.422 37.812 16.734 1.00 11.93 C +ATOM 575 O GLN P 95 16.796 36.746 16.804 1.00 11.39 O +ATOM 576 CB GLN P 95 18.746 38.484 14.658 1.00 12.24 C +ATOM 577 CG GLN P 95 20.130 38.558 13.983 1.00 15.10 C +ATOM 578 CD GLN P 95 20.153 39.176 12.575 1.00 17.38 C +ATOM 579 OE1 GLN P 95 19.118 39.503 11.999 1.00 23.36 O +ATOM 580 NE2 GLN P 95 21.355 39.335 12.025 1.00 21.43 N +ATOM 581 N GLU P 96 16.951 38.953 17.228 1.00 12.90 N +ATOM 582 CA GLU P 96 15.682 39.017 17.953 1.00 14.32 C +ATOM 583 C GLU P 96 14.533 38.390 17.161 1.00 14.24 C +ATOM 584 O GLU P 96 13.694 37.662 17.706 1.00 14.08 O +ATOM 585 CB GLU P 96 15.340 40.474 18.253 1.00 15.05 C +ATOM 586 CG GLU P 96 14.513 40.647 19.519 1.00 19.71 C +ATOM 587 CD GLU P 96 14.406 42.099 19.962 1.00 22.24 C +ATOM 588 OE1 GLU P 96 14.426 43.001 19.093 1.00 24.33 O +ATOM 589 OE2 GLU P 96 14.288 42.333 21.179 1.00 26.40 O +ATOM 590 N GLU P 97 14.518 38.661 15.861 1.00 13.51 N +ATOM 591 CA GLU P 97 13.416 38.237 15.022 1.00 13.74 C +ATOM 592 C GLU P 97 13.410 36.735 14.783 1.00 12.85 C +ATOM 593 O GLU P 97 12.449 36.221 14.218 1.00 13.17 O +ATOM 594 CB GLU P 97 13.407 39.021 13.706 1.00 15.63 C +ATOM 595 CG GLU P 97 14.596 38.768 12.801 1.00 17.73 C +ATOM 596 CD GLU P 97 15.728 39.779 12.980 1.00 20.29 C +ATOM 597 OE1 GLU P 97 16.538 39.905 12.036 1.00 23.02 O +ATOM 598 OE2 GLU P 97 15.810 40.449 14.040 1.00 20.58 O +ATOM 599 N ASP P 98 14.466 36.031 15.190 1.00 11.57 N +ATOM 600 CA ASP P 98 14.510 34.572 15.070 1.00 10.93 C +ATOM 601 C ASP P 98 13.649 33.863 16.103 1.00 9.90 C +ATOM 602 O ASP P 98 13.424 32.665 15.973 1.00 10.48 O +ATOM 603 CB ASP P 98 15.952 34.060 15.169 1.00 11.19 C +ATOM 604 CG ASP P 98 16.838 34.605 14.070 1.00 12.79 C +ATOM 605 OD1 ASP P 98 16.308 34.928 12.975 1.00 15.02 O +ATOM 606 OD2 ASP P 98 18.063 34.717 14.299 1.00 12.39 O +ATOM 607 N ALA P 99 13.217 34.558 17.154 1.00 9.75 N +ATOM 608 CA ALA P 99 12.381 33.941 18.174 1.00 9.72 C +ATOM 609 C ALA P 99 11.120 33.355 17.556 1.00 9.81 C +ATOM 610 O ALA P 99 10.484 33.991 16.713 1.00 10.64 O +ATOM 611 CB ALA P 99 12.015 34.977 19.232 1.00 10.81 C +ATOM 612 N GLY P 100 10.747 32.155 17.986 1.00 8.84 N +ATOM 613 CA GLY P 100 9.546 31.494 17.481 1.00 8.73 C +ATOM 614 C GLY P 100 9.738 30.008 17.618 1.00 8.03 C +ATOM 615 O GLY P 100 10.684 29.542 18.266 1.00 9.93 O +ATOM 616 N GLU P 101 8.843 29.257 16.993 1.00 6.57 N +ATOM 617 CA GLU P 101 8.908 27.811 17.033 1.00 6.54 C +ATOM 618 C GLU P 101 9.091 27.280 15.612 1.00 6.12 C +ATOM 619 O GLU P 101 8.512 27.801 14.655 1.00 6.67 O +ATOM 620 CB GLU P 101 7.684 27.223 17.728 1.00 6.96 C +ATOM 621 CG GLU P 101 7.853 25.734 18.029 1.00 7.05 C +ATOM 622 CD GLU P 101 6.820 25.189 18.973 1.00 8.05 C +ATOM 623 OE1 GLU P 101 6.477 24.016 18.858 1.00 8.23 O +ATOM 624 OE2 GLU P 101 6.380 25.924 19.858 1.00 12.76 O +ATOM 625 N TYR P 102 9.895 26.223 15.511 1.00 5.49 N +ATOM 626 CA TYR P 102 10.326 25.636 14.255 1.00 5.71 C +ATOM 627 C TYR P 102 10.099 24.139 14.286 1.00 5.55 C +ATOM 628 O TYR P 102 9.958 23.557 15.359 1.00 6.09 O +ATOM 629 CB TYR P 102 11.817 25.897 14.052 1.00 6.44 C +ATOM 630 CG TYR P 102 12.172 27.368 13.952 1.00 6.25 C +ATOM 631 CD1 TYR P 102 12.308 27.985 12.727 1.00 7.11 C +ATOM 632 CD2 TYR P 102 12.361 28.143 15.097 1.00 6.80 C +ATOM 633 CE1 TYR P 102 12.629 29.339 12.643 1.00 7.39 C +ATOM 634 CE2 TYR P 102 12.678 29.491 15.018 1.00 7.36 C +ATOM 635 CZ TYR P 102 12.804 30.080 13.782 1.00 8.26 C +ATOM 636 OH TYR P 102 13.133 31.421 13.668 1.00 8.58 O +ATOM 637 N GLY P 103 10.072 23.511 13.108 1.00 6.17 N +ATOM 638 CA GLY P 103 9.974 22.073 13.020 1.00 6.86 C +ATOM 639 C GLY P 103 10.980 21.517 12.046 1.00 6.29 C +ATOM 640 O GLY P 103 11.414 22.177 11.104 1.00 6.86 O +ATOM 641 N CYS P 104 11.379 20.285 12.306 1.00 6.29 N +ATOM 642 CA CYS P 104 12.016 19.385 11.333 1.00 6.89 C +ATOM 643 C CYS P 104 10.949 18.434 10.866 1.00 6.11 C +ATOM 644 O CYS P 104 10.271 17.819 11.690 1.00 6.55 O +ATOM 645 CB CYS P 104 13.112 18.542 12.006 1.00 7.98 C +ATOM 646 SG CYS P 104 14.631 19.412 12.387 1.00 8.86 S +ATOM 647 N MET P 105 10.845 18.299 9.550 1.00 7.07 N +ATOM 648 CA MET P 105 9.898 17.366 8.943 1.00 8.44 C +ATOM 649 C MET P 105 10.600 16.423 7.989 1.00 7.02 C +ATOM 650 O MET P 105 11.618 16.766 7.369 1.00 7.82 O +ATOM 651 CB MET P 105 8.820 18.110 8.152 1.00 9.52 C +ATOM 652 CG MET P 105 7.974 19.076 8.934 1.00 12.51 C +ATOM 653 SD MET P 105 6.525 19.708 8.068 1.00 14.73 S +ATOM 654 CE MET P 105 7.318 20.477 6.695 1.00 16.30 C +ATOM 655 N VAL P 106 10.047 15.224 7.849 1.00 6.42 N +ATOM 656 CA VAL P 106 10.427 14.318 6.774 1.00 7.03 C +ATOM 657 C VAL P 106 9.301 14.322 5.761 1.00 5.98 C +ATOM 658 O VAL P 106 8.131 14.322 6.120 1.00 6.92 O +ATOM 659 CB VAL P 106 10.785 12.887 7.279 1.00 7.94 C +ATOM 660 CG1 VAL P 106 9.614 12.242 8.030 1.00 8.87 C +ATOM 661 CG2 VAL P 106 11.277 12.009 6.124 1.00 8.32 C +ATOM 662 N ASP P 107 9.666 14.353 4.482 1.00 7.12 N +ATOM 663 CA ASP P 107 8.692 14.527 3.417 1.00 7.21 C +ATOM 664 C ASP P 107 8.893 13.495 2.324 1.00 8.84 C +ATOM 665 O ASP P 107 9.107 13.867 1.173 1.00 9.91 O +ATOM 666 CB ASP P 107 8.799 15.951 2.844 1.00 8.68 C +ATOM 667 CG ASP P 107 7.751 16.252 1.795 1.00 9.56 C +ATOM 668 OD1 ASP P 107 8.056 17.002 0.844 1.00 10.04 O +ATOM 669 OD2 ASP P 107 6.618 15.751 1.949 1.00 9.71 O +ATOM 670 N GLY P 108 8.779 12.222 2.658 1.00 10.08 N +ATOM 671 CA GLY P 108 8.996 11.164 1.668 1.00 10.60 C +ATOM 672 C GLY P 108 7.722 10.520 1.185 1.00 10.98 C +ATOM 673 O GLY P 108 6.628 11.030 1.404 1.00 9.86 O +ATOM 674 N ALA P 109 7.864 9.372 0.532 1.00 12.55 N +ATOM 675 CA ALA P 109 6.751 8.810 -0.200 1.00 12.96 C +ATOM 676 C ALA P 109 5.598 8.310 0.665 1.00 13.00 C +ATOM 677 O ALA P 109 4.488 8.193 0.149 1.00 13.88 O +ATOM 678 CB ALA P 109 7.218 7.729 -1.166 1.00 14.15 C +ATOM 679 N ARG P 110 5.832 8.022 1.956 1.00 11.79 N +ATOM 680 CA ARG P 110 4.730 7.590 2.831 1.00 11.74 C +ATOM 681 C ARG P 110 4.039 8.739 3.552 1.00 10.62 C +ATOM 682 O ARG P 110 3.257 8.502 4.472 1.00 11.92 O +ATOM 683 CB ARG P 110 5.165 6.524 3.845 1.00 13.39 C +ATOM 684 CG ARG P 110 5.533 5.216 3.176 1.00 14.15 C +ATOM 685 CD ARG P 110 5.568 4.097 4.164 1.00 15.86 C +ATOM 686 NE ARG P 110 6.354 2.981 3.662 1.00 17.03 N +ATOM 687 CZ ARG P 110 5.848 1.940 3.014 1.00 13.28 C +ATOM 688 NH1 ARG P 110 6.659 0.986 2.590 1.00 15.22 N +ATOM 689 NH2 ARG P 110 4.536 1.853 2.786 1.00 12.29 N +ATOM 690 N GLY P 111 4.338 9.977 3.174 1.00 8.81 N +ATOM 691 CA GLY P 111 3.616 11.116 3.714 1.00 7.83 C +ATOM 692 C GLY P 111 4.446 11.845 4.754 1.00 6.98 C +ATOM 693 O GLY P 111 5.367 11.289 5.320 1.00 7.92 O +ATOM 694 N PRO P 112 4.139 13.114 4.974 1.00 6.89 N +ATOM 695 CA PRO P 112 4.997 13.947 5.813 1.00 7.15 C +ATOM 696 C PRO P 112 4.775 13.706 7.297 1.00 7.51 C +ATOM 697 O PRO P 112 3.663 13.400 7.740 1.00 7.27 O +ATOM 698 CB PRO P 112 4.566 15.359 5.421 1.00 8.11 C +ATOM 699 CG PRO P 112 3.117 15.225 5.058 1.00 8.48 C +ATOM 700 CD PRO P 112 3.018 13.868 4.384 1.00 7.99 C +ATOM 701 N GLN P 113 5.847 13.866 8.062 1.00 7.24 N +ATOM 702 CA GLN P 113 5.807 13.754 9.517 1.00 8.20 C +ATOM 703 C GLN P 113 6.650 14.851 10.137 1.00 7.88 C +ATOM 704 O GLN P 113 7.686 15.232 9.591 1.00 8.32 O +ATOM 705 CB GLN P 113 6.356 12.408 9.966 1.00 9.12 C +ATOM 706 CG GLN P 113 5.543 11.191 9.559 1.00 10.01 C +ATOM 707 CD GLN P 113 6.125 9.910 10.142 1.00 12.70 C +ATOM 708 OE1 GLN P 113 6.286 9.773 11.367 1.00 18.70 O +ATOM 709 NE2 GLN P 113 6.449 8.971 9.276 1.00 18.52 N +ATOM 710 N ILE P 114 6.208 15.330 11.285 1.00 7.11 N +ATOM 711 CA ILE P 114 7.007 16.235 12.073 1.00 7.51 C +ATOM 712 C ILE P 114 7.909 15.395 12.966 1.00 7.41 C +ATOM 713 O ILE P 114 7.441 14.616 13.774 1.00 9.08 O +ATOM 714 CB ILE P 114 6.117 17.183 12.909 1.00 7.91 C +ATOM 715 CG1 ILE P 114 5.292 18.061 11.971 1.00 9.30 C +ATOM 716 CG2 ILE P 114 6.967 18.038 13.855 1.00 9.21 C +ATOM 717 CD1 ILE P 114 5.973 19.359 11.521 1.00 18.61 C +ATOM 718 N LEU P 115 9.209 15.530 12.766 1.00 6.84 N +ATOM 719 CA LEU P 115 10.213 14.812 13.532 1.00 7.01 C +ATOM 720 C LEU P 115 10.463 15.406 14.911 1.00 6.82 C +ATOM 721 O LEU P 115 10.737 14.686 15.857 1.00 7.43 O +ATOM 722 CB LEU P 115 11.532 14.805 12.762 1.00 7.46 C +ATOM 723 CG LEU P 115 11.495 14.181 11.368 1.00 8.35 C +ATOM 724 CD1 LEU P 115 12.775 14.488 10.605 1.00 9.17 C +ATOM 725 CD2 LEU P 115 11.257 12.692 11.402 1.00 9.81 C +ATOM 726 N HIS P 116 10.407 16.731 15.005 1.00 6.25 N +ATOM 727 CA HIS P 116 10.893 17.439 16.198 1.00 5.91 C +ATOM 728 C HIS P 116 10.441 18.883 16.097 1.00 6.29 C +ATOM 729 O HIS P 116 10.376 19.436 14.991 1.00 6.88 O +ATOM 730 CB HIS P 116 12.440 17.384 16.173 1.00 6.81 C +ATOM 731 CG HIS P 116 13.103 17.895 17.404 1.00 6.91 C +ATOM 732 ND1 HIS P 116 12.968 17.290 18.627 1.00 8.49 N +ATOM 733 CD2 HIS P 116 13.949 18.932 17.581 1.00 6.71 C +ATOM 734 CE1 HIS P 116 13.689 17.943 19.519 1.00 7.85 C +ATOM 735 NE2 HIS P 116 14.313 18.926 18.903 1.00 6.98 N +ATOM 736 N ARG P 117 10.120 19.477 17.236 1.00 6.48 N +ATOM 737 CA ARG P 117 9.795 20.894 17.313 1.00 6.75 C +ATOM 738 C ARG P 117 10.829 21.586 18.200 1.00 6.24 C +ATOM 739 O ARG P 117 11.334 21.003 19.186 1.00 6.30 O +ATOM 740 CB ARG P 117 8.418 21.108 17.934 1.00 7.05 C +ATOM 741 CG ARG P 117 7.246 20.550 17.185 1.00 8.12 C +ATOM 742 CD ARG P 117 5.940 20.931 17.868 1.00 9.20 C +ATOM 743 NE ARG P 117 5.722 20.284 19.174 1.00 8.91 N +ATOM 744 CZ ARG P 117 5.199 20.847 20.266 1.00 8.09 C +ATOM 745 NH1 ARG P 117 4.887 22.139 20.297 1.00 7.47 N +ATOM 746 NH2 ARG P 117 4.959 20.102 21.331 1.00 8.57 N +ATOM 747 N VAL P 118 11.110 22.848 17.896 1.00 6.26 N +ATOM 748 CA VAL P 118 12.100 23.636 18.635 1.00 7.04 C +ATOM 749 C VAL P 118 11.490 24.993 18.959 1.00 6.67 C +ATOM 750 O VAL P 118 11.183 25.764 18.039 1.00 7.56 O +ATOM 751 CB VAL P 118 13.380 23.899 17.772 1.00 8.04 C +ATOM 752 CG1 VAL P 118 14.377 24.790 18.553 1.00 9.77 C +ATOM 753 CG2 VAL P 118 14.021 22.568 17.353 1.00 8.67 C +ATOM 754 N SER P 119 11.333 25.282 20.251 1.00 5.89 N +ATOM 755 CA SER P 119 10.886 26.594 20.682 1.00 6.68 C +ATOM 756 C SER P 119 12.110 27.443 21.019 1.00 6.93 C +ATOM 757 O SER P 119 12.857 27.114 21.959 1.00 7.93 O +ATOM 758 CB SER P 119 10.032 26.426 21.924 1.00 7.18 C +ATOM 759 OG SER P 119 9.746 27.683 22.518 1.00 9.03 O +ATOM 760 N LEU P 120 12.321 28.528 20.276 1.00 7.47 N +ATOM 761 CA LEU P 120 13.499 29.368 20.450 1.00 7.96 C +ATOM 762 C LEU P 120 13.058 30.684 21.051 1.00 8.60 C +ATOM 763 O LEU P 120 12.301 31.441 20.451 1.00 9.05 O +ATOM 764 CB LEU P 120 14.187 29.601 19.110 1.00 8.95 C +ATOM 765 CG LEU P 120 15.388 30.556 19.186 1.00 10.73 C +ATOM 766 CD1 LEU P 120 16.505 30.041 20.102 1.00 11.90 C +ATOM 767 CD2 LEU P 120 15.919 30.783 17.792 1.00 12.42 C +ATOM 768 N ASN P 121 13.554 30.932 22.255 1.00 9.12 N +ATOM 769 CA ASN P 121 13.243 32.109 23.006 1.00 10.37 C +ATOM 770 C ASN P 121 14.495 32.980 23.072 1.00 10.80 C +ATOM 771 O ASN P 121 15.555 32.510 23.477 1.00 11.31 O +ATOM 772 CB ASN P 121 12.733 31.631 24.364 1.00 11.43 C +ATOM 773 CG ASN P 121 11.553 30.637 24.209 1.00 13.01 C +ATOM 774 OD1 ASN P 121 10.420 31.082 24.008 1.00 16.66 O +ATOM 775 ND2 ASN P 121 11.817 29.286 24.233 1.00 12.88 N +ATOM 776 N ILE P 122 14.377 34.223 22.609 1.00 11.31 N +ATOM 777 CA ILE P 122 15.505 35.157 22.626 1.00 12.85 C +ATOM 778 C ILE P 122 15.435 36.015 23.884 1.00 13.35 C +ATOM 779 O ILE P 122 14.444 36.715 24.131 1.00 15.00 O +ATOM 780 CB ILE P 122 15.537 36.043 21.357 1.00 12.04 C +ATOM 781 CG1 ILE P 122 15.678 35.194 20.073 1.00 13.56 C +ATOM 782 CG2 ILE P 122 16.665 37.048 21.446 1.00 14.42 C +ATOM 783 CD1 ILE P 122 16.964 34.376 19.963 1.00 15.54 C +ATOM 784 N LEU P 123 16.490 35.949 24.689 1.00 14.06 N +ATOM 785 CA LEU P 123 16.508 36.612 25.986 1.00 15.51 C +ATOM 786 C LEU P 123 16.561 38.137 25.836 1.00 16.66 C +ATOM 787 O LEU P 123 17.184 38.649 24.896 1.00 15.95 O +ATOM 788 CB LEU P 123 17.673 36.095 26.834 1.00 15.58 C +ATOM 789 CG LEU P 123 17.597 34.616 27.264 1.00 16.94 C +ATOM 790 CD1 LEU P 123 18.953 34.118 27.714 1.00 20.05 C +ATOM 791 CD2 LEU P 123 16.541 34.365 28.345 1.00 19.66 C +ATOM 792 N PRO P 124 15.874 38.868 26.747 1.00 19.00 N +ATOM 793 CA PRO P 124 15.938 40.334 26.766 1.00 20.21 C +ATOM 794 C PRO P 124 17.358 40.822 27.041 1.00 20.68 C +ATOM 795 O PRO P 124 18.182 40.048 27.535 1.00 20.39 O +ATOM 796 CB PRO P 124 14.995 40.725 27.920 1.00 20.87 C +ATOM 797 CG PRO P 124 14.817 39.520 28.730 1.00 20.79 C +ATOM 798 CD PRO P 124 14.965 38.353 27.787 1.00 19.36 C +ATOM 799 N PRO P 125 17.657 42.096 26.716 1.00 22.37 N +ATOM 800 CA PRO P 125 19.009 42.592 26.947 1.00 23.17 C +ATOM 801 C PRO P 125 19.355 42.624 28.436 1.00 23.90 C +ATOM 802 O PRO P 125 18.489 42.837 29.295 1.00 24.69 O +ATOM 803 CB PRO P 125 18.969 44.015 26.373 1.00 23.47 C +ATOM 804 CG PRO P 125 17.537 44.385 26.371 1.00 23.01 C +ATOM 805 CD PRO P 125 16.790 43.127 26.114 1.00 22.22 C +ATOM 806 OXT PRO P 125 20.510 42.421 28.807 1.00 24.23 O Added: SwiftApps/modFTdock/input/2g1l-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2g1l-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2g1l-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,814 @@ +ATOM 1 N SER A 497 26.212 -52.424 0.180 1.00 64.42 N +ATOM 2 CA SER A 497 25.752 -51.464 1.238 1.00 64.85 C +ATOM 3 C SER A 497 25.267 -50.153 0.587 1.00 63.23 C +ATOM 4 O SER A 497 25.253 -50.032 -0.658 1.00 61.65 O +ATOM 5 CB SER A 497 26.901 -51.179 2.252 1.00 67.42 C +ATOM 6 OG SER A 497 26.420 -50.787 3.545 1.00 66.56 O +ATOM 7 N THR A 498 24.857 -49.187 1.422 1.00 58.47 N +ATOM 8 CA THR A 498 24.674 -47.809 0.955 1.00 56.76 C +ATOM 9 C THR A 498 26.057 -47.220 0.681 1.00 56.45 C +ATOM 10 O THR A 498 27.048 -47.605 1.340 1.00 56.70 O +ATOM 11 CB THR A 498 23.975 -46.948 1.989 1.00 56.46 C +ATOM 12 OG1 THR A 498 22.894 -47.698 2.523 1.00 59.04 O +ATOM 13 CG2 THR A 498 23.448 -45.617 1.390 1.00 54.11 C +ATOM 14 N PRO A 499 26.146 -46.322 -0.317 1.00 51.75 N +ATOM 15 CA PRO A 499 27.356 -45.554 -0.475 1.00 47.42 C +ATOM 16 C PRO A 499 27.490 -44.506 0.626 1.00 43.08 C +ATOM 17 O PRO A 499 26.502 -43.889 1.015 1.00 40.45 O +ATOM 18 CB PRO A 499 27.158 -44.883 -1.831 1.00 48.42 C +ATOM 19 CG PRO A 499 26.008 -45.580 -2.454 1.00 49.03 C +ATOM 20 CD PRO A 499 25.162 -45.986 -1.356 1.00 49.14 C +ATOM 21 N HIS A 500 28.709 -44.314 1.122 1.00 41.34 N +ATOM 22 CA HIS A 500 28.983 -43.288 2.128 1.00 39.45 C +ATOM 23 C HIS A 500 29.882 -42.187 1.606 1.00 37.68 C +ATOM 24 O HIS A 500 30.801 -42.439 0.836 1.00 35.57 O +ATOM 25 CB HIS A 500 29.689 -43.904 3.312 1.00 39.35 C +ATOM 26 CG HIS A 500 28.929 -44.999 3.961 1.00 37.73 C +ATOM 27 ND1 HIS A 500 28.810 -46.243 3.396 1.00 38.55 N +ATOM 28 CD2 HIS A 500 28.267 -45.048 5.138 1.00 38.29 C +ATOM 29 CE1 HIS A 500 28.087 -47.014 4.186 1.00 40.35 C +ATOM 30 NE2 HIS A 500 27.750 -46.314 5.255 1.00 39.80 N +ATOM 31 N LEU A 501 29.634 -40.966 2.061 1.00 38.18 N +ATOM 32 CA LEU A 501 30.569 -39.864 1.873 1.00 36.46 C +ATOM 33 C LEU A 501 31.132 -39.535 3.232 1.00 36.33 C +ATOM 34 O LEU A 501 30.413 -39.132 4.120 1.00 36.87 O +ATOM 35 CB LEU A 501 29.866 -38.663 1.285 1.00 35.56 C +ATOM 36 CG LEU A 501 30.777 -37.601 0.703 1.00 35.37 C +ATOM 37 CD1 LEU A 501 31.567 -38.151 -0.473 1.00 31.48 C +ATOM 38 CD2 LEU A 501 29.923 -36.415 0.304 1.00 34.18 C +ATOM 39 N VAL A 502 32.431 -39.725 3.382 1.00 38.52 N +ATOM 40 CA VAL A 502 33.094 -39.733 4.682 1.00 36.61 C +ATOM 41 C VAL A 502 34.003 -38.526 4.779 1.00 36.43 C +ATOM 42 O VAL A 502 34.755 -38.249 3.855 1.00 35.85 O +ATOM 43 CB VAL A 502 33.955 -41.004 4.802 1.00 36.42 C +ATOM 44 CG1 VAL A 502 34.891 -40.880 5.952 1.00 33.56 C +ATOM 45 CG2 VAL A 502 33.051 -42.247 4.930 1.00 37.33 C +ATOM 46 N ASN A 503 33.965 -37.825 5.902 1.00 37.99 N +ATOM 47 CA ASN A 503 34.699 -36.579 6.030 1.00 37.94 C +ATOM 48 C ASN A 503 36.141 -36.844 6.433 1.00 39.00 C +ATOM 49 O ASN A 503 36.390 -37.367 7.499 1.00 42.90 O +ATOM 50 CB ASN A 503 34.007 -35.682 7.044 1.00 37.04 C +ATOM 51 CG ASN A 503 34.636 -34.306 7.131 1.00 37.75 C +ATOM 52 OD1 ASN A 503 35.746 -34.090 6.649 1.00 37.07 O +ATOM 53 ND2 ASN A 503 33.929 -33.367 7.756 1.00 36.94 N +ATOM 54 N LEU A 504 37.099 -36.478 5.591 1.00 42.14 N +ATOM 55 CA LEU A 504 38.504 -36.763 5.902 1.00 44.60 C +ATOM 56 C LEU A 504 39.203 -35.615 6.625 1.00 47.46 C +ATOM 57 O LEU A 504 40.348 -35.766 7.006 1.00 46.81 O +ATOM 58 CB LEU A 504 39.298 -37.159 4.644 1.00 41.07 C +ATOM 59 CG LEU A 504 38.851 -38.431 3.913 1.00 40.13 C +ATOM 60 CD1 LEU A 504 39.733 -38.711 2.679 1.00 34.64 C +ATOM 61 CD2 LEU A 504 38.800 -39.625 4.845 1.00 35.58 C +ATOM 62 N ASN A 505 38.535 -34.484 6.846 1.00 53.32 N +ATOM 63 CA ASN A 505 39.200 -33.357 7.522 1.00 59.57 C +ATOM 64 C ASN A 505 39.672 -33.729 8.911 1.00 63.99 C +ATOM 65 O ASN A 505 38.921 -34.304 9.669 1.00 64.00 O +ATOM 66 CB ASN A 505 38.283 -32.138 7.606 1.00 61.39 C +ATOM 67 CG ASN A 505 38.104 -31.452 6.264 1.00 62.43 C +ATOM 68 OD1 ASN A 505 36.985 -31.142 5.858 1.00 61.87 O +ATOM 69 ND2 ASN A 505 39.216 -31.220 5.560 1.00 64.61 N +ATOM 70 N GLU A 506 40.924 -33.392 9.237 1.00 72.39 N +ATOM 71 CA GLU A 506 41.536 -33.773 10.533 1.00 75.84 C +ATOM 72 C GLU A 506 40.912 -33.040 11.724 1.00 78.44 C +ATOM 73 O GLU A 506 40.717 -33.629 12.780 1.00 77.77 O +ATOM 74 CB GLU A 506 43.056 -33.554 10.512 1.00 79.99 C +ATOM 75 CG GLU A 506 43.842 -34.662 9.759 1.00 84.20 C +ATOM 76 CD GLU A 506 44.156 -35.917 10.626 1.00 86.65 C +ATOM 77 OE1 GLU A 506 43.222 -36.631 11.072 1.00 85.90 O +ATOM 78 OE2 GLU A 506 45.358 -36.192 10.841 1.00 88.72 O +ATOM 79 N ASP A 507 40.598 -31.761 11.547 1.00 81.75 N +ATOM 80 CA ASP A 507 39.905 -30.985 12.577 1.00 84.08 C +ATOM 81 C ASP A 507 38.637 -30.406 11.996 1.00 84.90 C +ATOM 82 O ASP A 507 38.609 -29.245 11.595 1.00 86.15 O +ATOM 83 CB ASP A 507 40.795 -29.857 13.108 1.00 87.21 C +ATOM 84 CG ASP A 507 41.849 -30.355 14.068 1.00 88.63 C +ATOM 85 OD1 ASP A 507 43.040 -30.395 13.675 1.00 89.08 O +ATOM 86 OD2 ASP A 507 41.475 -30.720 15.209 1.00 90.06 O +ATOM 87 N PRO A 508 37.581 -31.217 11.931 1.00 84.50 N +ATOM 88 CA PRO A 508 36.316 -30.710 11.442 1.00 85.64 C +ATOM 89 C PRO A 508 35.641 -29.874 12.520 1.00 86.79 C +ATOM 90 O PRO A 508 35.753 -30.221 13.695 1.00 85.89 O +ATOM 91 CB PRO A 508 35.523 -31.985 11.166 1.00 84.15 C +ATOM 92 CG PRO A 508 36.087 -32.986 12.095 1.00 83.35 C +ATOM 93 CD PRO A 508 37.507 -32.636 12.320 1.00 83.41 C +ATOM 94 N LEU A 509 34.954 -28.790 12.140 1.00 88.73 N +ATOM 95 CA LEU A 509 34.220 -27.976 13.132 1.00 90.99 C +ATOM 96 C LEU A 509 33.075 -28.774 13.789 1.00 93.34 C +ATOM 97 O LEU A 509 32.637 -29.823 13.276 1.00 93.01 O +ATOM 98 CB LEU A 509 33.693 -26.644 12.538 1.00 90.35 C +ATOM 99 CG LEU A 509 34.294 -25.327 13.089 1.00 90.00 C +ATOM 100 CD1 LEU A 509 33.614 -24.118 12.440 1.00 88.20 C +ATOM 101 CD2 LEU A 509 34.205 -25.224 14.638 1.00 88.95 C +ATOM 102 N MET A 510 32.611 -28.274 14.934 1.00 95.78 N +ATOM 103 CA MET A 510 31.522 -28.911 15.683 1.00 96.56 C +ATOM 104 C MET A 510 30.246 -29.006 14.797 1.00 95.84 C +ATOM 105 O MET A 510 29.545 -30.026 14.790 1.00 95.65 O +ATOM 106 CB MET A 510 31.258 -28.130 16.993 1.00101.50 C +ATOM 107 CG MET A 510 30.843 -29.007 18.189 1.00104.94 C +ATOM 108 SD MET A 510 29.138 -29.708 18.048 1.00111.20 S +ATOM 109 CE MET A 510 28.093 -28.199 18.269 1.00107.38 C +ATOM 110 N SER A 511 29.989 -27.938 14.040 1.00 93.46 N +ATOM 111 CA SER A 511 28.873 -27.853 13.085 1.00 90.61 C +ATOM 112 C SER A 511 29.036 -28.766 11.862 1.00 88.05 C +ATOM 113 O SER A 511 28.055 -29.142 11.213 1.00 88.22 O +ATOM 114 CB SER A 511 28.767 -26.407 12.586 1.00 91.64 C +ATOM 115 OG SER A 511 30.002 -25.980 12.007 1.00 91.38 O +ATOM 116 N GLU A 512 30.289 -29.084 11.550 1.00 84.13 N +ATOM 117 CA GLU A 512 30.662 -29.832 10.356 1.00 79.99 C +ATOM 118 C GLU A 512 30.259 -31.301 10.478 1.00 75.88 C +ATOM 119 O GLU A 512 30.342 -31.904 11.554 1.00 77.28 O +ATOM 120 CB GLU A 512 32.177 -29.718 10.146 1.00 81.47 C +ATOM 121 CG GLU A 512 32.667 -29.998 8.738 1.00 82.33 C +ATOM 122 CD GLU A 512 34.156 -29.706 8.574 1.00 81.89 C +ATOM 123 OE1 GLU A 512 34.702 -28.897 9.365 1.00 82.17 O +ATOM 124 OE2 GLU A 512 34.777 -30.282 7.653 1.00 81.33 O +ATOM 125 N CYS A 513 29.862 -31.873 9.355 1.00 69.60 N +ATOM 126 CA CYS A 513 29.238 -33.166 9.335 1.00 62.75 C +ATOM 127 C CYS A 513 30.233 -34.234 8.907 1.00 54.34 C +ATOM 128 O CYS A 513 30.901 -34.106 7.894 1.00 51.17 O +ATOM 129 CB CYS A 513 28.088 -33.115 8.360 1.00 67.61 C +ATOM 130 SG CYS A 513 26.684 -34.117 8.807 1.00 77.05 S +ATOM 131 N LEU A 514 30.305 -35.305 9.675 1.00 48.04 N +ATOM 132 CA LEU A 514 31.375 -36.290 9.533 1.00 44.15 C +ATOM 133 C LEU A 514 31.097 -37.413 8.539 1.00 39.09 C +ATOM 134 O LEU A 514 32.028 -37.992 8.008 1.00 38.49 O +ATOM 135 CB LEU A 514 31.698 -36.894 10.895 1.00 39.32 C +ATOM 136 CG LEU A 514 32.223 -35.917 11.957 1.00 39.38 C +ATOM 137 CD1 LEU A 514 32.270 -36.586 13.322 1.00 36.00 C +ATOM 138 CD2 LEU A 514 33.602 -35.378 11.565 1.00 37.38 C +ATOM 139 N LEU A 515 29.832 -37.706 8.278 1.00 38.64 N +ATOM 140 CA LEU A 515 29.458 -38.832 7.434 1.00 40.29 C +ATOM 141 C LEU A 515 28.030 -38.686 6.914 1.00 38.77 C +ATOM 142 O LEU A 515 27.135 -38.411 7.682 1.00 36.48 O +ATOM 143 CB LEU A 515 29.586 -40.138 8.236 1.00 39.57 C +ATOM 144 CG LEU A 515 29.187 -41.456 7.568 1.00 39.87 C +ATOM 145 CD1 LEU A 515 29.841 -42.624 8.256 1.00 40.96 C +ATOM 146 CD2 LEU A 515 27.685 -41.640 7.582 1.00 42.38 C +ATOM 147 N TYR A 516 27.839 -38.883 5.613 1.00 40.97 N +ATOM 148 CA TYR A 516 26.517 -38.943 4.998 1.00 42.68 C +ATOM 149 C TYR A 516 26.402 -40.237 4.244 1.00 41.11 C +ATOM 150 O TYR A 516 27.353 -40.649 3.581 1.00 38.80 O +ATOM 151 CB TYR A 516 26.312 -37.846 3.964 1.00 49.83 C +ATOM 152 CG TYR A 516 26.715 -36.485 4.392 1.00 51.61 C +ATOM 153 CD1 TYR A 516 25.779 -35.597 4.922 1.00 53.60 C +ATOM 154 CD2 TYR A 516 28.032 -36.059 4.259 1.00 53.29 C +ATOM 155 CE1 TYR A 516 26.151 -34.307 5.326 1.00 52.54 C +ATOM 156 CE2 TYR A 516 28.418 -34.781 4.662 1.00 53.09 C +ATOM 157 CZ TYR A 516 27.470 -33.912 5.190 1.00 53.43 C +ATOM 158 OH TYR A 516 27.848 -32.647 5.573 1.00 54.36 O +ATOM 159 N HIS A 517 25.233 -40.866 4.324 1.00 40.02 N +ATOM 160 CA HIS A 517 24.881 -41.944 3.397 1.00 40.26 C +ATOM 161 C HIS A 517 24.291 -41.306 2.142 1.00 41.01 C +ATOM 162 O HIS A 517 23.481 -40.410 2.241 1.00 43.79 O +ATOM 163 CB HIS A 517 23.881 -42.906 4.024 1.00 33.84 C +ATOM 164 CG HIS A 517 24.464 -43.765 5.099 1.00 29.57 C +ATOM 165 ND1 HIS A 517 24.362 -43.450 6.431 1.00 30.27 N +ATOM 166 CD2 HIS A 517 25.146 -44.937 5.044 1.00 29.00 C +ATOM 167 CE1 HIS A 517 24.956 -44.387 7.156 1.00 29.22 C +ATOM 168 NE2 HIS A 517 25.438 -45.303 6.338 1.00 25.95 N +ATOM 169 N ILE A 518 24.723 -41.745 0.968 1.00 42.57 N +ATOM 170 CA ILE A 518 24.165 -41.238 -0.280 1.00 44.06 C +ATOM 171 C ILE A 518 22.999 -42.107 -0.720 1.00 45.85 C +ATOM 172 O ILE A 518 23.164 -43.259 -1.141 1.00 45.93 O +ATOM 173 CB ILE A 518 25.208 -41.165 -1.384 1.00 43.99 C +ATOM 174 CG1 ILE A 518 26.276 -40.158 -0.971 1.00 42.87 C +ATOM 175 CG2 ILE A 518 24.551 -40.774 -2.750 1.00 40.68 C +ATOM 176 CD1 ILE A 518 27.586 -40.460 -1.561 1.00 45.07 C +ATOM 177 N LYS A 519 21.817 -41.522 -0.619 1.00 48.81 N +ATOM 178 CA LYS A 519 20.585 -42.213 -0.914 1.00 49.89 C +ATOM 179 C LYS A 519 20.229 -42.167 -2.397 1.00 49.58 C +ATOM 180 O LYS A 519 20.765 -41.346 -3.162 1.00 47.56 O +ATOM 181 CB LYS A 519 19.475 -41.617 -0.058 1.00 54.05 C +ATOM 182 CG LYS A 519 19.590 -42.098 1.387 1.00 57.02 C +ATOM 183 CD LYS A 519 19.456 -40.978 2.399 1.00 59.12 C +ATOM 184 CE LYS A 519 19.887 -41.463 3.799 1.00 59.95 C +ATOM 185 NZ LYS A 519 20.005 -40.330 4.780 1.00 61.16 N +ATOM 186 N ASP A 520 19.342 -43.086 -2.785 1.00 47.65 N +ATOM 187 CA ASP A 520 18.814 -43.159 -4.130 1.00 44.62 C +ATOM 188 C ASP A 520 18.342 -41.768 -4.549 1.00 40.10 C +ATOM 189 O ASP A 520 17.806 -41.039 -3.754 1.00 39.63 O +ATOM 190 CB ASP A 520 17.670 -44.162 -4.183 1.00 47.21 C +ATOM 191 CG ASP A 520 17.189 -44.425 -5.605 1.00 52.20 C +ATOM 192 OD1 ASP A 520 18.022 -44.842 -6.462 1.00 57.02 O +ATOM 193 OD2 ASP A 520 15.979 -44.212 -5.876 1.00 54.90 O +ATOM 194 N GLY A 521 18.598 -41.378 -5.783 1.00 37.76 N +ATOM 195 CA GLY A 521 18.220 -40.042 -6.235 1.00 39.12 C +ATOM 196 C GLY A 521 19.337 -39.011 -6.217 1.00 37.86 C +ATOM 197 O GLY A 521 20.511 -39.345 -6.253 1.00 39.26 O +ATOM 198 N VAL A 522 18.941 -37.752 -6.157 1.00 38.28 N +ATOM 199 CA VAL A 522 19.836 -36.625 -6.246 1.00 39.20 C +ATOM 200 C VAL A 522 20.114 -36.103 -4.859 1.00 42.62 C +ATOM 201 O VAL A 522 19.178 -35.737 -4.179 1.00 48.04 O +ATOM 202 CB VAL A 522 19.177 -35.491 -7.050 1.00 35.68 C +ATOM 203 CG1 VAL A 522 20.034 -34.245 -7.033 1.00 39.24 C +ATOM 204 CG2 VAL A 522 18.925 -35.932 -8.465 1.00 29.73 C +ATOM 205 N THR A 523 21.386 -36.081 -4.435 1.00 44.26 N +ATOM 206 CA THR A 523 21.820 -35.315 -3.258 1.00 43.48 C +ATOM 207 C THR A 523 22.537 -34.045 -3.694 1.00 46.63 C +ATOM 208 O THR A 523 23.618 -34.115 -4.258 1.00 49.81 O +ATOM 209 CB THR A 523 22.789 -36.096 -2.403 1.00 42.74 C +ATOM 210 OG1 THR A 523 22.217 -37.364 -2.079 1.00 41.72 O +ATOM 211 CG2 THR A 523 23.122 -35.312 -1.117 1.00 41.33 C +ATOM 212 N ARG A 524 21.940 -32.891 -3.423 1.00 49.65 N +ATOM 213 CA ARG A 524 22.520 -31.588 -3.782 1.00 49.59 C +ATOM 214 C ARG A 524 23.461 -31.095 -2.704 1.00 49.76 C +ATOM 215 O ARG A 524 23.118 -31.143 -1.511 1.00 48.61 O +ATOM 216 CB ARG A 524 21.412 -30.567 -3.996 1.00 51.97 C +ATOM 217 CG ARG A 524 20.693 -30.788 -5.299 1.00 54.14 C +ATOM 218 CD ARG A 524 19.203 -30.421 -5.267 1.00 56.19 C +ATOM 219 NE ARG A 524 18.485 -30.997 -6.421 1.00 57.16 N +ATOM 220 CZ ARG A 524 18.637 -30.605 -7.695 1.00 60.04 C +ATOM 221 NH1 ARG A 524 19.484 -29.616 -8.024 1.00 60.06 N +ATOM 222 NH2 ARG A 524 17.941 -31.205 -8.665 1.00 59.85 N +ATOM 223 N VAL A 525 24.646 -30.624 -3.119 1.00 48.01 N +ATOM 224 CA VAL A 525 25.673 -30.123 -2.180 1.00 47.65 C +ATOM 225 C VAL A 525 25.926 -28.633 -2.384 1.00 47.18 C +ATOM 226 O VAL A 525 26.104 -28.171 -3.503 1.00 46.61 O +ATOM 227 CB VAL A 525 27.004 -30.875 -2.327 1.00 43.58 C +ATOM 228 CG1 VAL A 525 28.010 -30.346 -1.340 1.00 42.36 C +ATOM 229 CG2 VAL A 525 26.804 -32.357 -2.128 1.00 42.05 C +ATOM 230 N GLY A 526 25.942 -27.881 -1.297 1.00 50.69 N +ATOM 231 CA GLY A 526 26.172 -26.442 -1.382 1.00 55.23 C +ATOM 232 C GLY A 526 25.867 -25.702 -0.091 1.00 57.44 C +ATOM 233 O GLY A 526 25.991 -26.251 1.002 1.00 55.24 O +ATOM 234 N GLN A 527 25.473 -24.444 -0.225 1.00 63.07 N +ATOM 235 CA GLN A 527 25.267 -23.573 0.930 1.00 67.15 C +ATOM 236 C GLN A 527 23.801 -23.253 1.106 1.00 69.39 C +ATOM 237 O GLN A 527 23.264 -23.397 2.193 1.00 71.85 O +ATOM 238 CB GLN A 527 26.075 -22.279 0.774 1.00 68.39 C +ATOM 239 CG GLN A 527 27.506 -22.381 1.297 1.00 69.60 C +ATOM 240 CD GLN A 527 28.370 -21.179 0.926 1.00 70.48 C +ATOM 241 OE1 GLN A 527 27.915 -20.261 0.227 1.00 71.35 O +ATOM 242 NE2 GLN A 527 29.634 -21.191 1.372 1.00 69.29 N +ATOM 243 N VAL A 528 23.160 -22.819 0.030 1.00 71.86 N +ATOM 244 CA VAL A 528 21.780 -22.363 0.095 1.00 73.42 C +ATOM 245 C VAL A 528 20.812 -23.450 -0.363 1.00 74.92 C +ATOM 246 O VAL A 528 20.630 -23.668 -1.576 1.00 73.95 O +ATOM 247 CB VAL A 528 21.571 -21.076 -0.755 1.00 74.31 C +ATOM 248 CG1 VAL A 528 20.083 -20.697 -0.830 1.00 72.11 C +ATOM 249 CG2 VAL A 528 22.407 -19.921 -0.174 1.00 74.63 C +ATOM 250 N ASP A 529 20.207 -24.120 0.627 1.00 76.01 N +ATOM 251 CA ASP A 529 19.025 -25.002 0.433 1.00 76.02 C +ATOM 252 C ASP A 529 19.414 -26.293 -0.263 1.00 74.46 C +ATOM 253 O ASP A 529 18.975 -26.585 -1.392 1.00 72.08 O +ATOM 254 CB ASP A 529 17.877 -24.284 -0.309 1.00 79.42 C +ATOM 255 CG ASP A 529 17.463 -22.975 0.376 1.00 81.62 C +ATOM 256 OD1 ASP A 529 17.467 -22.927 1.631 1.00 81.66 O +ATOM 257 OD2 ASP A 529 17.144 -21.997 -0.344 1.00 83.26 O +ATOM 258 N MET A 530 20.234 -27.058 0.455 1.00 71.44 N +ATOM 259 CA MET A 530 20.901 -28.223 -0.078 1.00 69.32 C +ATOM 260 C MET A 530 20.697 -29.406 0.845 1.00 65.51 C +ATOM 261 O MET A 530 20.300 -29.248 1.981 1.00 66.22 O +ATOM 262 CB MET A 530 22.395 -27.908 -0.226 1.00 71.58 C +ATOM 263 CG MET A 530 22.651 -26.726 -1.161 1.00 72.91 C +ATOM 264 SD MET A 530 22.145 -27.079 -2.867 1.00 75.19 S +ATOM 265 CE MET A 530 21.130 -25.660 -3.330 1.00 72.30 C +ATOM 266 N ASP A 531 20.972 -30.596 0.350 1.00 61.56 N +ATOM 267 CA ASP A 531 20.873 -31.787 1.160 1.00 59.11 C +ATOM 268 C ASP A 531 22.141 -31.918 1.996 1.00 57.18 C +ATOM 269 O ASP A 531 22.093 -32.397 3.119 1.00 58.24 O +ATOM 270 CB ASP A 531 20.621 -33.007 0.270 1.00 59.92 C +ATOM 271 CG ASP A 531 19.458 -32.778 -0.716 1.00 62.15 C +ATOM 272 OD1 ASP A 531 18.333 -32.500 -0.260 1.00 64.69 O +ATOM 273 OD2 ASP A 531 19.664 -32.842 -1.946 1.00 62.27 O +ATOM 274 N ILE A 532 23.281 -31.482 1.460 1.00 56.07 N +ATOM 275 CA ILE A 532 24.505 -31.392 2.258 1.00 54.56 C +ATOM 276 C ILE A 532 24.983 -29.951 2.244 1.00 55.45 C +ATOM 277 O ILE A 532 25.206 -29.383 1.182 1.00 57.46 O +ATOM 278 CB ILE A 532 25.608 -32.282 1.730 1.00 53.36 C +ATOM 279 CG1 ILE A 532 25.132 -33.739 1.672 1.00 51.89 C +ATOM 280 CG2 ILE A 532 26.823 -32.147 2.624 1.00 53.85 C +ATOM 281 CD1 ILE A 532 26.066 -34.675 0.962 1.00 49.20 C +ATOM 282 N LYS A 533 25.117 -29.361 3.429 1.00 56.25 N +ATOM 283 CA LYS A 533 25.509 -27.961 3.561 1.00 55.76 C +ATOM 284 C LYS A 533 26.982 -27.881 3.928 1.00 52.95 C +ATOM 285 O LYS A 533 27.404 -28.472 4.914 1.00 51.04 O +ATOM 286 CB LYS A 533 24.676 -27.283 4.641 1.00 58.45 C +ATOM 287 CG LYS A 533 24.929 -25.782 4.804 1.00 59.77 C +ATOM 288 CD LYS A 533 24.759 -25.342 6.287 1.00 60.94 C +ATOM 289 CE LYS A 533 24.550 -23.824 6.432 1.00 62.56 C +ATOM 290 NZ LYS A 533 23.555 -23.262 5.422 1.00 63.43 N +ATOM 291 N LEU A 534 27.764 -27.171 3.122 1.00 52.02 N +ATOM 292 CA LEU A 534 29.193 -26.962 3.405 1.00 51.53 C +ATOM 293 C LEU A 534 29.448 -25.472 3.405 1.00 49.76 C +ATOM 294 O LEU A 534 28.915 -24.751 2.553 1.00 50.15 O +ATOM 295 CB LEU A 534 30.063 -27.654 2.355 1.00 51.50 C +ATOM 296 CG LEU A 534 29.881 -29.167 2.234 1.00 51.52 C +ATOM 297 CD1 LEU A 534 30.730 -29.736 1.094 1.00 49.83 C +ATOM 298 CD2 LEU A 534 30.221 -29.826 3.563 1.00 51.23 C +ATOM 299 N THR A 535 30.253 -24.998 4.350 1.00 48.12 N +ATOM 300 CA THR A 535 30.334 -23.551 4.592 1.00 48.78 C +ATOM 301 C THR A 535 31.562 -22.839 4.048 1.00 47.85 C +ATOM 302 O THR A 535 31.533 -21.639 3.910 1.00 53.91 O +ATOM 303 CB THR A 535 30.231 -23.244 6.083 1.00 48.29 C +ATOM 304 OG1 THR A 535 30.972 -24.235 6.815 1.00 48.59 O +ATOM 305 CG2 THR A 535 28.742 -23.224 6.524 1.00 45.52 C +ATOM 306 N GLY A 536 32.636 -23.550 3.755 1.00 46.56 N +ATOM 307 CA GLY A 536 33.823 -22.931 3.156 1.00 46.87 C +ATOM 308 C GLY A 536 33.611 -21.761 2.185 1.00 46.62 C +ATOM 309 O GLY A 536 32.608 -21.658 1.471 1.00 47.37 O +ATOM 310 N GLN A 537 34.594 -20.883 2.151 1.00 47.39 N +ATOM 311 CA GLN A 537 34.568 -19.696 1.303 1.00 45.96 C +ATOM 312 C GLN A 537 34.400 -20.002 -0.195 1.00 46.23 C +ATOM 313 O GLN A 537 33.839 -19.192 -0.938 1.00 44.63 O +ATOM 314 CB GLN A 537 35.872 -18.944 1.522 1.00 46.72 C +ATOM 315 CG GLN A 537 35.982 -17.596 0.812 1.00 47.82 C +ATOM 316 CD GLN A 537 37.403 -17.073 0.816 1.00 45.04 C +ATOM 317 OE1 GLN A 537 38.241 -17.574 1.551 1.00 43.79 O +ATOM 318 NE2 GLN A 537 37.678 -16.065 0.002 1.00 43.20 N +ATOM 319 N PHE A 538 34.891 -21.159 -0.637 1.00 46.61 N +ATOM 320 CA PHE A 538 34.831 -21.535 -2.052 1.00 46.05 C +ATOM 321 C PHE A 538 33.685 -22.478 -2.403 1.00 46.18 C +ATOM 322 O PHE A 538 33.563 -22.907 -3.562 1.00 46.07 O +ATOM 323 CB PHE A 538 36.184 -22.104 -2.484 1.00 47.24 C +ATOM 324 CG PHE A 538 37.286 -21.115 -2.344 1.00 47.81 C +ATOM 325 CD1 PHE A 538 38.185 -21.193 -1.295 1.00 49.36 C +ATOM 326 CD2 PHE A 538 37.373 -20.036 -3.217 1.00 48.24 C +ATOM 327 CE1 PHE A 538 39.183 -20.229 -1.143 1.00 48.77 C +ATOM 328 CE2 PHE A 538 38.366 -19.077 -3.077 1.00 47.87 C +ATOM 329 CZ PHE A 538 39.270 -19.175 -2.039 1.00 48.36 C +ATOM 330 N ILE A 539 32.840 -22.795 -1.422 1.00 44.18 N +ATOM 331 CA ILE A 539 31.652 -23.599 -1.687 1.00 44.60 C +ATOM 332 C ILE A 539 30.575 -22.679 -2.237 1.00 44.38 C +ATOM 333 O ILE A 539 30.187 -21.749 -1.573 1.00 44.64 O +ATOM 334 CB ILE A 539 31.130 -24.292 -0.428 1.00 41.55 C +ATOM 335 CG1 ILE A 539 32.203 -25.219 0.189 1.00 41.59 C +ATOM 336 CG2 ILE A 539 29.892 -25.063 -0.750 1.00 42.40 C +ATOM 337 CD1 ILE A 539 32.703 -26.338 -0.727 1.00 39.36 C +ATOM 338 N ARG A 540 30.112 -22.933 -3.461 1.00 48.71 N +ATOM 339 CA ARG A 540 29.029 -22.143 -4.080 1.00 51.41 C +ATOM 340 C ARG A 540 27.683 -22.518 -3.478 1.00 51.82 C +ATOM 341 O ARG A 540 27.579 -23.483 -2.713 1.00 52.49 O +ATOM 342 CB ARG A 540 28.993 -22.364 -5.588 1.00 54.50 C +ATOM 343 CG ARG A 540 30.314 -22.078 -6.282 1.00 59.00 C +ATOM 344 CD ARG A 540 30.638 -20.573 -6.321 1.00 64.17 C +ATOM 345 NE ARG A 540 32.087 -20.343 -6.231 1.00 65.99 N +ATOM 346 CZ ARG A 540 32.729 -19.745 -5.210 1.00 69.43 C +ATOM 347 NH1 ARG A 540 32.085 -19.290 -4.129 1.00 71.27 N +ATOM 348 NH2 ARG A 540 34.053 -19.599 -5.260 1.00 68.98 N +ATOM 349 N GLU A 541 26.649 -21.756 -3.808 1.00 53.23 N +ATOM 350 CA GLU A 541 25.319 -22.018 -3.238 1.00 55.63 C +ATOM 351 C GLU A 541 24.833 -23.380 -3.677 1.00 52.98 C +ATOM 352 O GLU A 541 24.361 -24.157 -2.859 1.00 52.05 O +ATOM 353 CB GLU A 541 24.322 -20.945 -3.646 1.00 59.06 C +ATOM 354 CG GLU A 541 24.501 -19.638 -2.888 1.00 62.97 C +ATOM 355 CD GLU A 541 23.752 -18.455 -3.531 1.00 65.55 C +ATOM 356 OE1 GLU A 541 23.998 -17.307 -3.097 1.00 69.82 O +ATOM 357 OE2 GLU A 541 22.937 -18.658 -4.472 1.00 70.11 O +ATOM 358 N GLN A 542 24.947 -23.638 -4.979 1.00 51.28 N +ATOM 359 CA GLN A 542 24.814 -24.971 -5.549 1.00 51.01 C +ATOM 360 C GLN A 542 26.205 -25.418 -5.981 1.00 46.73 C +ATOM 361 O GLN A 542 26.659 -25.051 -7.056 1.00 44.31 O +ATOM 362 CB GLN A 542 23.889 -24.959 -6.786 1.00 55.82 C +ATOM 363 CG GLN A 542 22.383 -24.736 -6.525 1.00 60.38 C +ATOM 364 CD GLN A 542 21.976 -23.237 -6.404 1.00 64.71 C +ATOM 365 OE1 GLN A 542 22.120 -22.450 -7.358 1.00 67.98 O +ATOM 366 NE2 GLN A 542 21.448 -22.856 -5.227 1.00 66.66 N +ATOM 367 N HIS A 543 26.893 -26.201 -5.158 1.00 43.28 N +ATOM 368 CA HIS A 543 28.266 -26.608 -5.506 1.00 42.89 C +ATOM 369 C HIS A 543 28.336 -27.759 -6.527 1.00 42.20 C +ATOM 370 O HIS A 543 28.981 -27.651 -7.581 1.00 40.21 O +ATOM 371 CB HIS A 543 29.058 -26.983 -4.260 1.00 41.40 C +ATOM 372 CG HIS A 543 30.531 -26.943 -4.472 1.00 41.05 C +ATOM 373 ND1 HIS A 543 31.250 -25.774 -4.409 1.00 38.54 N +ATOM 374 CD2 HIS A 543 31.413 -27.916 -4.801 1.00 41.16 C +ATOM 375 CE1 HIS A 543 32.520 -26.033 -4.659 1.00 41.10 C +ATOM 376 NE2 HIS A 543 32.646 -27.324 -4.903 1.00 41.17 N +ATOM 377 N CYS A 544 27.681 -28.863 -6.192 1.00 40.60 N +ATOM 378 CA CYS A 544 27.609 -30.012 -7.075 1.00 39.24 C +ATOM 379 C CYS A 544 26.497 -30.938 -6.600 1.00 37.72 C +ATOM 380 O CYS A 544 25.890 -30.685 -5.572 1.00 38.49 O +ATOM 381 CB CYS A 544 28.937 -30.757 -7.048 1.00 38.11 C +ATOM 382 SG CYS A 544 29.278 -31.521 -5.457 1.00 37.69 S +ATOM 383 N LEU A 545 26.236 -32.019 -7.324 1.00 38.33 N +ATOM 384 CA LEU A 545 25.282 -32.998 -6.836 1.00 38.18 C +ATOM 385 C LEU A 545 25.665 -34.427 -7.137 1.00 35.83 C +ATOM 386 O LEU A 545 26.321 -34.709 -8.119 1.00 36.38 O +ATOM 387 CB LEU A 545 23.897 -32.684 -7.367 1.00 39.50 C +ATOM 388 CG LEU A 545 23.702 -32.720 -8.862 1.00 40.07 C +ATOM 389 CD1 LEU A 545 23.263 -34.107 -9.277 1.00 41.94 C +ATOM 390 CD2 LEU A 545 22.653 -31.699 -9.213 1.00 37.86 C +ATOM 391 N PHE A 546 25.279 -35.315 -6.236 1.00 35.64 N +ATOM 392 CA PHE A 546 25.416 -36.739 -6.444 1.00 38.16 C +ATOM 393 C PHE A 546 24.115 -37.329 -7.019 1.00 38.85 C +ATOM 394 O PHE A 546 23.005 -36.945 -6.608 1.00 35.73 O +ATOM 395 CB PHE A 546 25.719 -37.416 -5.119 1.00 39.83 C +ATOM 396 CG PHE A 546 27.015 -36.986 -4.491 1.00 40.11 C +ATOM 397 CD1 PHE A 546 27.074 -35.859 -3.679 1.00 42.29 C +ATOM 398 CD2 PHE A 546 28.169 -37.718 -4.683 1.00 40.54 C +ATOM 399 CE1 PHE A 546 28.274 -35.468 -3.068 1.00 39.80 C +ATOM 400 CE2 PHE A 546 29.367 -37.331 -4.086 1.00 40.45 C +ATOM 401 CZ PHE A 546 29.413 -36.205 -3.282 1.00 40.20 C +ATOM 402 N ARG A 547 24.248 -38.241 -7.981 1.00 38.71 N +ATOM 403 CA ARG A 547 23.106 -39.054 -8.438 1.00 38.60 C +ATOM 404 C ARG A 547 23.339 -40.500 -8.127 1.00 37.42 C +ATOM 405 O ARG A 547 24.353 -41.063 -8.526 1.00 36.12 O +ATOM 406 CB ARG A 547 22.918 -38.967 -9.922 1.00 37.85 C +ATOM 407 CG ARG A 547 22.092 -37.872 -10.332 1.00 39.02 C +ATOM 408 CD ARG A 547 22.064 -37.778 -11.841 1.00 42.65 C +ATOM 409 NE ARG A 547 21.902 -36.386 -12.160 1.00 44.85 N +ATOM 410 CZ ARG A 547 20.753 -35.745 -12.044 1.00 45.99 C +ATOM 411 NH1 ARG A 547 19.655 -36.384 -11.635 1.00 44.79 N +ATOM 412 NH2 ARG A 547 20.710 -34.444 -12.329 1.00 47.20 N +ATOM 413 N SER A 548 22.391 -41.111 -7.437 1.00 38.47 N +ATOM 414 CA SER A 548 22.470 -42.525 -7.162 1.00 40.29 C +ATOM 415 C SER A 548 21.352 -43.212 -7.921 1.00 39.14 C +ATOM 416 O SER A 548 20.176 -42.891 -7.727 1.00 39.35 O +ATOM 417 CB SER A 548 22.359 -42.773 -5.684 1.00 39.07 C +ATOM 418 OG SER A 548 22.522 -44.142 -5.449 1.00 41.72 O +ATOM 419 N ILE A 549 21.738 -44.126 -8.806 1.00 39.22 N +ATOM 420 CA ILE A 549 20.809 -44.823 -9.696 1.00 41.78 C +ATOM 421 C ILE A 549 21.011 -46.331 -9.540 1.00 44.04 C +ATOM 422 O ILE A 549 22.147 -46.804 -9.485 1.00 42.17 O +ATOM 423 CB ILE A 549 21.041 -44.472 -11.184 1.00 40.35 C +ATOM 424 CG1 ILE A 549 21.332 -42.971 -11.379 1.00 41.88 C +ATOM 425 CG2 ILE A 549 19.867 -44.905 -12.017 1.00 38.54 C +ATOM 426 CD1 ILE A 549 22.900 -42.598 -11.397 1.00 39.81 C +ATOM 427 N PRO A 550 19.909 -47.101 -9.463 1.00 50.15 N +ATOM 428 CA PRO A 550 20.019 -48.574 -9.335 1.00 50.29 C +ATOM 429 C PRO A 550 20.274 -49.311 -10.636 1.00 50.95 C +ATOM 430 O PRO A 550 19.778 -48.914 -11.693 1.00 48.42 O +ATOM 431 CB PRO A 550 18.653 -48.984 -8.798 1.00 49.03 C +ATOM 432 CG PRO A 550 17.865 -47.689 -8.619 1.00 49.72 C +ATOM 433 CD PRO A 550 18.501 -46.669 -9.454 1.00 50.27 C +ATOM 434 N GLN A 551 21.046 -50.388 -10.537 1.00 55.33 N +ATOM 435 CA GLN A 551 21.221 -51.318 -11.642 1.00 59.56 C +ATOM 436 C GLN A 551 20.259 -52.479 -11.509 1.00 62.65 C +ATOM 437 O GLN A 551 19.718 -52.708 -10.412 1.00 62.77 O +ATOM 438 CB GLN A 551 22.631 -51.867 -11.652 1.00 60.15 C +ATOM 439 CG GLN A 551 23.603 -50.891 -12.171 1.00 61.57 C +ATOM 440 CD GLN A 551 24.999 -51.377 -12.033 1.00 61.18 C +ATOM 441 OE1 GLN A 551 25.627 -51.744 -13.015 1.00 62.25 O +ATOM 442 NE2 GLN A 551 25.504 -51.396 -10.807 1.00 61.15 N +ATOM 443 N PRO A 552 20.030 -53.212 -12.627 1.00 66.22 N +ATOM 444 CA PRO A 552 19.301 -54.489 -12.643 1.00 66.97 C +ATOM 445 C PRO A 552 19.470 -55.339 -11.360 1.00 67.74 C +ATOM 446 O PRO A 552 18.474 -55.670 -10.697 1.00 65.46 O +ATOM 447 CB PRO A 552 19.899 -55.194 -13.869 1.00 66.65 C +ATOM 448 CG PRO A 552 20.149 -54.091 -14.818 1.00 66.51 C +ATOM 449 CD PRO A 552 20.429 -52.831 -13.997 1.00 66.61 C +ATOM 450 N ASP A 553 20.719 -55.630 -10.998 1.00 68.47 N +ATOM 451 CA ASP A 553 21.011 -56.431 -9.804 1.00 69.13 C +ATOM 452 C ASP A 553 20.807 -55.731 -8.439 1.00 70.69 C +ATOM 453 O ASP A 553 21.141 -56.319 -7.405 1.00 73.09 O +ATOM 454 CB ASP A 553 22.444 -56.998 -9.882 1.00 69.02 C +ATOM 455 CG ASP A 553 23.523 -55.917 -9.879 1.00 69.28 C +ATOM 456 OD1 ASP A 553 23.306 -54.801 -9.360 1.00 67.25 O +ATOM 457 OD2 ASP A 553 24.615 -56.200 -10.399 1.00 71.88 O +ATOM 458 N GLY A 554 20.293 -54.493 -8.427 1.00 70.36 N +ATOM 459 CA GLY A 554 20.181 -53.703 -7.184 1.00 69.36 C +ATOM 460 C GLY A 554 21.389 -52.802 -6.873 1.00 70.04 C +ATOM 461 O GLY A 554 21.221 -51.708 -6.322 1.00 70.31 O +ATOM 462 N GLU A 555 22.601 -53.258 -7.224 1.00 69.42 N +ATOM 463 CA GLU A 555 23.850 -52.497 -6.995 1.00 65.84 C +ATOM 464 C GLU A 555 23.750 -51.082 -7.569 1.00 62.62 C +ATOM 465 O GLU A 555 23.213 -50.878 -8.656 1.00 66.60 O +ATOM 466 CB GLU A 555 25.057 -53.237 -7.604 1.00 69.16 C +ATOM 467 CG GLU A 555 26.426 -52.720 -7.170 1.00 73.34 C +ATOM 468 CD GLU A 555 26.680 -52.801 -5.634 1.00 79.04 C +ATOM 469 OE1 GLU A 555 25.949 -53.541 -4.920 1.00 80.18 O +ATOM 470 OE2 GLU A 555 27.628 -52.121 -5.146 1.00 82.11 O +ATOM 471 N VAL A 556 24.256 -50.106 -6.840 1.00 55.26 N +ATOM 472 CA VAL A 556 24.046 -48.719 -7.215 1.00 50.99 C +ATOM 473 C VAL A 556 25.244 -48.172 -8.005 1.00 46.66 C +ATOM 474 O VAL A 556 26.348 -48.712 -7.944 1.00 44.98 O +ATOM 475 CB VAL A 556 23.758 -47.863 -5.971 1.00 50.89 C +ATOM 476 CG1 VAL A 556 23.272 -46.516 -6.362 1.00 52.10 C +ATOM 477 CG2 VAL A 556 22.709 -48.534 -5.140 1.00 51.09 C +ATOM 478 N VAL A 557 24.977 -47.136 -8.791 1.00 40.20 N +ATOM 479 CA VAL A 557 25.975 -46.399 -9.510 1.00 36.92 C +ATOM 480 C VAL A 557 25.787 -44.961 -9.066 1.00 37.51 C +ATOM 481 O VAL A 557 24.677 -44.425 -9.117 1.00 36.93 O +ATOM 482 CB VAL A 557 25.765 -46.520 -11.035 1.00 34.66 C +ATOM 483 CG1 VAL A 557 26.662 -45.560 -11.803 1.00 32.26 C +ATOM 484 CG2 VAL A 557 26.007 -47.950 -11.493 1.00 31.95 C +ATOM 485 N VAL A 558 26.862 -44.346 -8.588 1.00 36.42 N +ATOM 486 CA VAL A 558 26.812 -42.969 -8.109 1.00 32.86 C +ATOM 487 C VAL A 558 27.669 -42.106 -9.037 1.00 34.67 C +ATOM 488 O VAL A 558 28.836 -42.443 -9.324 1.00 33.93 O +ATOM 489 CB VAL A 558 27.317 -42.848 -6.653 1.00 30.38 C +ATOM 490 CG1 VAL A 558 27.126 -41.415 -6.136 1.00 25.44 C +ATOM 491 CG2 VAL A 558 26.616 -43.908 -5.722 1.00 25.26 C +ATOM 492 N THR A 559 27.080 -41.015 -9.526 1.00 32.93 N +ATOM 493 CA THR A 559 27.791 -40.076 -10.329 1.00 33.43 C +ATOM 494 C THR A 559 27.855 -38.753 -9.585 1.00 34.64 C +ATOM 495 O THR A 559 27.021 -38.488 -8.733 1.00 37.13 O +ATOM 496 CB THR A 559 27.096 -39.855 -11.653 1.00 34.64 C +ATOM 497 OG1 THR A 559 25.889 -39.134 -11.432 1.00 37.83 O +ATOM 498 CG2 THR A 559 26.795 -41.166 -12.337 1.00 33.26 C +ATOM 499 N LEU A 560 28.854 -37.936 -9.916 1.00 35.56 N +ATOM 500 CA LEU A 560 29.013 -36.583 -9.370 1.00 36.57 C +ATOM 501 C LEU A 560 28.958 -35.582 -10.524 1.00 36.63 C +ATOM 502 O LEU A 560 29.630 -35.769 -11.533 1.00 34.16 O +ATOM 503 CB LEU A 560 30.357 -36.492 -8.629 1.00 36.87 C +ATOM 504 CG LEU A 560 30.874 -35.136 -8.113 1.00 36.05 C +ATOM 505 CD1 LEU A 560 30.146 -34.667 -6.888 1.00 33.59 C +ATOM 506 CD2 LEU A 560 32.311 -35.293 -7.775 1.00 37.36 C +ATOM 507 N GLU A 561 28.123 -34.555 -10.407 1.00 39.27 N +ATOM 508 CA GLU A 561 28.069 -33.485 -11.412 1.00 43.45 C +ATOM 509 C GLU A 561 28.477 -32.186 -10.770 1.00 41.35 C +ATOM 510 O GLU A 561 27.856 -31.768 -9.810 1.00 38.56 O +ATOM 511 CB GLU A 561 26.662 -33.275 -11.928 1.00 48.44 C +ATOM 512 CG GLU A 561 25.846 -34.542 -12.143 1.00 54.93 C +ATOM 513 CD GLU A 561 24.541 -34.255 -12.906 1.00 56.41 C +ATOM 514 OE1 GLU A 561 24.202 -33.034 -13.091 1.00 60.07 O +ATOM 515 OE2 GLU A 561 23.879 -35.249 -13.319 1.00 58.43 O +ATOM 516 N PRO A 562 29.501 -31.523 -11.300 1.00 42.68 N +ATOM 517 CA PRO A 562 29.913 -30.248 -10.715 1.00 42.41 C +ATOM 518 C PRO A 562 29.080 -29.126 -11.280 1.00 40.02 C +ATOM 519 O PRO A 562 28.671 -29.203 -12.416 1.00 37.49 O +ATOM 520 CB PRO A 562 31.346 -30.121 -11.177 1.00 42.83 C +ATOM 521 CG PRO A 562 31.338 -30.745 -12.529 1.00 45.23 C +ATOM 522 CD PRO A 562 30.327 -31.878 -12.461 1.00 45.70 C +ATOM 523 N CYS A 563 28.806 -28.104 -10.488 1.00 42.26 N +ATOM 524 CA CYS A 563 28.082 -26.941 -10.989 1.00 42.52 C +ATOM 525 C CYS A 563 29.052 -25.908 -11.533 1.00 43.28 C +ATOM 526 O CYS A 563 30.174 -25.786 -11.058 1.00 44.44 O +ATOM 527 CB CYS A 563 27.249 -26.321 -9.893 1.00 42.77 C +ATOM 528 SG CYS A 563 25.960 -27.416 -9.270 1.00 45.96 S +ATOM 529 N GLU A 564 28.602 -25.198 -12.556 1.00 47.51 N +ATOM 530 CA GLU A 564 29.293 -24.066 -13.144 1.00 47.38 C +ATOM 531 C GLU A 564 29.899 -23.176 -12.081 1.00 46.87 C +ATOM 532 O GLU A 564 29.186 -22.647 -11.236 1.00 45.40 O +ATOM 533 CB GLU A 564 28.268 -23.236 -13.931 1.00 54.95 C +ATOM 534 CG GLU A 564 28.810 -21.987 -14.642 1.00 57.38 C +ATOM 535 CD GLU A 564 29.586 -22.327 -15.893 1.00 63.60 C +ATOM 536 OE1 GLU A 564 30.052 -21.379 -16.567 1.00 68.11 O +ATOM 537 OE2 GLU A 564 29.732 -23.539 -16.207 1.00 67.85 O +ATOM 538 N GLY A 565 31.217 -23.022 -12.123 1.00 44.53 N +ATOM 539 CA GLY A 565 31.925 -22.130 -11.230 1.00 43.11 C +ATOM 540 C GLY A 565 32.143 -22.673 -9.841 1.00 43.45 C +ATOM 541 O GLY A 565 32.532 -21.927 -8.959 1.00 47.20 O +ATOM 542 N ALA A 566 31.893 -23.963 -9.634 1.00 41.41 N +ATOM 543 CA ALA A 566 32.106 -24.590 -8.341 1.00 40.31 C +ATOM 544 C ALA A 566 33.166 -25.668 -8.532 1.00 40.82 C +ATOM 545 O ALA A 566 32.988 -26.594 -9.324 1.00 41.98 O +ATOM 546 CB ALA A 566 30.831 -25.164 -7.823 1.00 37.80 C +ATOM 547 N GLU A 567 34.283 -25.522 -7.821 1.00 41.70 N +ATOM 548 CA GLU A 567 35.433 -26.389 -7.985 1.00 39.44 C +ATOM 549 C GLU A 567 35.286 -27.632 -7.127 1.00 37.53 C +ATOM 550 O GLU A 567 34.991 -27.549 -5.932 1.00 35.04 O +ATOM 551 CB GLU A 567 36.737 -25.649 -7.655 1.00 40.82 C +ATOM 552 CG GLU A 567 37.101 -25.565 -6.182 1.00 42.56 C +ATOM 553 CD GLU A 567 38.317 -24.650 -5.909 1.00 43.60 C +ATOM 554 OE1 GLU A 567 38.125 -23.691 -5.126 1.00 44.97 O +ATOM 555 OE2 GLU A 567 39.444 -24.892 -6.463 1.00 39.63 O +ATOM 556 N THR A 568 35.478 -28.781 -7.763 1.00 35.10 N +ATOM 557 CA THR A 568 35.459 -30.058 -7.099 1.00 35.54 C +ATOM 558 C THR A 568 36.531 -30.875 -7.774 1.00 35.20 C +ATOM 559 O THR A 568 36.687 -30.790 -9.000 1.00 37.45 O +ATOM 560 CB THR A 568 34.080 -30.756 -7.291 1.00 36.63 C +ATOM 561 OG1 THR A 568 33.031 -29.923 -6.762 1.00 35.79 O +ATOM 562 CG2 THR A 568 34.058 -32.120 -6.613 1.00 34.15 C +ATOM 563 N TYR A 569 37.266 -31.666 -6.998 1.00 35.25 N +ATOM 564 CA TYR A 569 38.302 -32.559 -7.541 1.00 35.67 C +ATOM 565 C TYR A 569 38.029 -33.987 -7.126 1.00 33.50 C +ATOM 566 O TYR A 569 37.653 -34.223 -5.983 1.00 33.54 O +ATOM 567 CB TYR A 569 39.687 -32.179 -7.005 1.00 40.39 C +ATOM 568 CG TYR A 569 40.056 -30.733 -7.214 1.00 39.94 C +ATOM 569 CD1 TYR A 569 40.992 -30.357 -8.178 1.00 40.32 C +ATOM 570 CD2 TYR A 569 39.462 -29.749 -6.456 1.00 40.21 C +ATOM 571 CE1 TYR A 569 41.317 -29.025 -8.369 1.00 41.59 C +ATOM 572 CE2 TYR A 569 39.763 -28.425 -6.635 1.00 41.71 C +ATOM 573 CZ TYR A 569 40.690 -28.060 -7.582 1.00 43.51 C +ATOM 574 OH TYR A 569 40.969 -26.715 -7.720 1.00 44.63 O +ATOM 575 N VAL A 570 38.229 -34.932 -8.042 1.00 31.09 N +ATOM 576 CA VAL A 570 38.188 -36.359 -7.710 1.00 32.17 C +ATOM 577 C VAL A 570 39.587 -36.938 -7.931 1.00 31.06 C +ATOM 578 O VAL A 570 40.091 -36.932 -9.038 1.00 29.10 O +ATOM 579 CB VAL A 570 37.139 -37.151 -8.580 1.00 30.64 C +ATOM 580 CG1 VAL A 570 37.216 -38.648 -8.285 1.00 26.69 C +ATOM 581 CG2 VAL A 570 35.724 -36.637 -8.345 1.00 28.24 C +ATOM 582 N ASN A 571 40.217 -37.421 -6.868 1.00 35.68 N +ATOM 583 CA ASN A 571 41.589 -37.979 -6.943 1.00 35.63 C +ATOM 584 C ASN A 571 42.567 -37.022 -7.569 1.00 38.37 C +ATOM 585 O ASN A 571 43.357 -37.396 -8.432 1.00 42.09 O +ATOM 586 CB ASN A 571 41.587 -39.303 -7.706 1.00 33.32 C +ATOM 587 CG ASN A 571 40.975 -40.407 -6.911 1.00 33.44 C +ATOM 588 OD1 ASN A 571 40.711 -40.261 -5.713 1.00 36.00 O +ATOM 589 ND2 ASN A 571 40.742 -41.517 -7.548 1.00 34.34 N +ATOM 590 N GLY A 572 42.487 -35.767 -7.160 1.00 39.44 N +ATOM 591 CA GLY A 572 43.386 -34.766 -7.671 1.00 40.93 C +ATOM 592 C GLY A 572 42.977 -34.069 -8.948 1.00 42.32 C +ATOM 593 O GLY A 572 43.374 -32.950 -9.142 1.00 43.26 O +ATOM 594 N LYS A 573 42.202 -34.707 -9.824 1.00 43.52 N +ATOM 595 CA LYS A 573 41.801 -34.054 -11.071 1.00 43.83 C +ATOM 596 C LYS A 573 40.558 -33.200 -10.851 1.00 41.10 C +ATOM 597 O LYS A 573 39.588 -33.650 -10.271 1.00 42.29 O +ATOM 598 CB LYS A 573 41.553 -35.068 -12.200 1.00 51.16 C +ATOM 599 CG LYS A 573 42.791 -35.851 -12.670 1.00 56.92 C +ATOM 600 CD LYS A 573 42.981 -37.190 -11.899 1.00 61.04 C +ATOM 601 CE LYS A 573 44.241 -38.006 -12.361 1.00 61.42 C +ATOM 602 NZ LYS A 573 44.527 -39.180 -11.417 1.00 61.63 N +ATOM 603 N LEU A 574 40.606 -31.958 -11.309 1.00 39.08 N +ATOM 604 CA LEU A 574 39.458 -31.070 -11.273 1.00 37.63 C +ATOM 605 C LEU A 574 38.432 -31.689 -12.166 1.00 36.96 C +ATOM 606 O LEU A 574 38.739 -32.071 -13.268 1.00 37.55 O +ATOM 607 CB LEU A 574 39.808 -29.663 -11.800 1.00 35.47 C +ATOM 608 CG LEU A 574 38.639 -28.664 -11.914 1.00 35.68 C +ATOM 609 CD1 LEU A 574 38.265 -28.081 -10.520 1.00 30.00 C +ATOM 610 CD2 LEU A 574 38.960 -27.569 -12.926 1.00 31.05 C +ATOM 611 N VAL A 575 37.212 -31.802 -11.679 1.00 39.32 N +ATOM 612 CA VAL A 575 36.156 -32.366 -12.479 1.00 40.37 C +ATOM 613 C VAL A 575 35.321 -31.227 -12.976 1.00 42.10 C +ATOM 614 O VAL A 575 34.902 -30.333 -12.234 1.00 41.41 O +ATOM 615 CB VAL A 575 35.293 -33.422 -11.728 1.00 39.98 C +ATOM 616 CG1 VAL A 575 36.198 -34.470 -11.087 1.00 40.40 C +ATOM 617 CG2 VAL A 575 34.400 -32.781 -10.707 1.00 39.53 C +ATOM 618 N THR A 576 35.077 -31.290 -14.260 1.00 45.05 N +ATOM 619 CA THR A 576 34.501 -30.213 -14.992 1.00 47.67 C +ATOM 620 C THR A 576 33.176 -30.676 -15.683 1.00 48.29 C +ATOM 621 O THR A 576 32.312 -29.864 -16.001 1.00 49.55 O +ATOM 622 CB THR A 576 35.578 -29.731 -15.982 1.00 49.92 C +ATOM 623 OG1 THR A 576 35.015 -28.745 -16.833 1.00 56.54 O +ATOM 624 CG2 THR A 576 36.159 -30.918 -16.832 1.00 48.30 C +ATOM 625 N GLU A 577 33.048 -31.989 -15.898 1.00 48.08 N +ATOM 626 CA GLU A 577 31.849 -32.641 -16.418 1.00 45.28 C +ATOM 627 C GLU A 577 31.431 -33.745 -15.446 1.00 41.17 C +ATOM 628 O GLU A 577 32.207 -34.114 -14.578 1.00 37.12 O +ATOM 629 CB GLU A 577 32.151 -33.255 -17.787 1.00 48.69 C +ATOM 630 CG GLU A 577 32.454 -32.230 -18.884 1.00 54.61 C +ATOM 631 CD GLU A 577 31.189 -31.444 -19.374 1.00 59.09 C +ATOM 632 OE1 GLU A 577 30.164 -31.355 -18.644 1.00 59.00 O +ATOM 633 OE2 GLU A 577 31.233 -30.911 -20.508 1.00 61.43 O +ATOM 634 N PRO A 578 30.196 -34.278 -15.583 1.00 39.43 N +ATOM 635 CA PRO A 578 29.793 -35.406 -14.729 1.00 38.79 C +ATOM 636 C PRO A 578 30.663 -36.639 -14.918 1.00 36.49 C +ATOM 637 O PRO A 578 31.206 -36.868 -15.987 1.00 37.20 O +ATOM 638 CB PRO A 578 28.351 -35.685 -15.167 1.00 35.88 C +ATOM 639 CG PRO A 578 27.895 -34.409 -15.778 1.00 33.88 C +ATOM 640 CD PRO A 578 29.094 -33.874 -16.471 1.00 35.79 C +ATOM 641 N LEU A 579 30.738 -37.437 -13.869 1.00 37.19 N +ATOM 642 CA LEU A 579 31.759 -38.436 -13.701 1.00 33.60 C +ATOM 643 C LEU A 579 31.170 -39.550 -12.822 1.00 34.06 C +ATOM 644 O LEU A 579 30.488 -39.257 -11.846 1.00 32.48 O +ATOM 645 CB LEU A 579 32.902 -37.767 -12.947 1.00 36.34 C +ATOM 646 CG LEU A 579 34.096 -38.637 -12.596 1.00 36.24 C +ATOM 647 CD1 LEU A 579 34.650 -39.227 -13.908 1.00 37.29 C +ATOM 648 CD2 LEU A 579 35.100 -37.823 -11.866 1.00 30.52 C +ATOM 649 N VAL A 580 31.436 -40.810 -13.151 1.00 32.84 N +ATOM 650 CA VAL A 580 31.009 -41.925 -12.309 1.00 30.51 C +ATOM 651 C VAL A 580 32.054 -42.144 -11.216 1.00 31.49 C +ATOM 652 O VAL A 580 33.212 -42.395 -11.514 1.00 33.63 O +ATOM 653 CB VAL A 580 30.865 -43.265 -13.119 1.00 27.95 C +ATOM 654 CG1 VAL A 580 30.620 -44.439 -12.160 1.00 22.64 C +ATOM 655 CG2 VAL A 580 29.791 -43.164 -14.169 1.00 22.96 C +ATOM 656 N LEU A 581 31.629 -42.082 -9.956 1.00 32.61 N +ATOM 657 CA LEU A 581 32.509 -42.303 -8.821 1.00 30.46 C +ATOM 658 C LEU A 581 32.816 -43.790 -8.566 1.00 32.47 C +ATOM 659 O LEU A 581 32.072 -44.670 -8.983 1.00 34.82 O +ATOM 660 CB LEU A 581 31.880 -41.703 -7.571 1.00 29.28 C +ATOM 661 CG LEU A 581 31.641 -40.210 -7.555 1.00 29.61 C +ATOM 662 CD1 LEU A 581 31.023 -39.822 -6.222 1.00 27.28 C +ATOM 663 CD2 LEU A 581 32.945 -39.464 -7.805 1.00 30.36 C +ATOM 664 N LYS A 582 33.905 -44.045 -7.839 1.00 32.66 N +ATOM 665 CA LYS A 582 34.327 -45.393 -7.488 1.00 32.69 C +ATOM 666 C LYS A 582 34.774 -45.453 -6.051 1.00 33.31 C +ATOM 667 O LYS A 582 35.365 -44.514 -5.535 1.00 35.61 O +ATOM 668 CB LYS A 582 35.478 -45.831 -8.354 1.00 34.46 C +ATOM 669 CG LYS A 582 35.133 -45.989 -9.808 1.00 36.59 C +ATOM 670 CD LYS A 582 34.104 -47.075 -10.079 1.00 39.03 C +ATOM 671 CE LYS A 582 34.045 -47.319 -11.582 1.00 41.55 C +ATOM 672 NZ LYS A 582 32.697 -47.667 -12.091 1.00 43.82 N +ATOM 673 N SER A 583 34.496 -46.568 -5.400 1.00 33.20 N +ATOM 674 CA SER A 583 34.820 -46.716 -4.000 1.00 34.70 C +ATOM 675 C SER A 583 36.303 -46.437 -3.824 1.00 33.85 C +ATOM 676 O SER A 583 37.112 -46.950 -4.583 1.00 34.93 O +ATOM 677 CB SER A 583 34.488 -48.127 -3.521 1.00 34.59 C +ATOM 678 OG SER A 583 34.699 -48.216 -2.122 1.00 40.15 O +ATOM 679 N GLY A 584 36.652 -45.614 -2.843 1.00 32.71 N +ATOM 680 CA GLY A 584 38.036 -45.177 -2.660 1.00 31.69 C +ATOM 681 C GLY A 584 38.327 -43.762 -3.150 1.00 31.29 C +ATOM 682 O GLY A 584 39.203 -43.094 -2.611 1.00 34.30 O +ATOM 683 N ASN A 585 37.608 -43.296 -4.170 1.00 31.66 N +ATOM 684 CA ASN A 585 37.786 -41.929 -4.681 1.00 31.79 C +ATOM 685 C ASN A 585 37.823 -40.879 -3.580 1.00 33.17 C +ATOM 686 O ASN A 585 37.046 -40.932 -2.630 1.00 31.19 O +ATOM 687 CB ASN A 585 36.656 -41.549 -5.621 1.00 32.15 C +ATOM 688 CG ASN A 585 36.771 -42.181 -6.986 1.00 32.14 C +ATOM 689 OD1 ASN A 585 35.944 -41.896 -7.869 1.00 33.67 O +ATOM 690 ND2 ASN A 585 37.779 -43.021 -7.185 1.00 27.16 N +ATOM 691 N ARG A 586 38.731 -39.920 -3.729 1.00 37.02 N +ATOM 692 CA ARG A 586 38.869 -38.818 -2.792 1.00 36.62 C +ATOM 693 C ARG A 586 38.304 -37.588 -3.474 1.00 35.41 C +ATOM 694 O ARG A 586 38.659 -37.283 -4.609 1.00 36.00 O +ATOM 695 CB ARG A 586 40.334 -38.635 -2.473 1.00 40.35 C +ATOM 696 CG ARG A 586 40.684 -37.538 -1.497 1.00 41.61 C +ATOM 697 CD ARG A 586 42.202 -37.625 -1.159 1.00 44.97 C +ATOM 698 NE ARG A 586 42.653 -36.547 -0.260 1.00 47.91 N +ATOM 699 CZ ARG A 586 42.965 -35.304 -0.666 1.00 49.57 C +ATOM 700 NH1 ARG A 586 42.882 -34.948 -1.965 1.00 49.49 N +ATOM 701 NH2 ARG A 586 43.348 -34.403 0.234 1.00 48.12 N +ATOM 702 N ILE A 587 37.407 -36.901 -2.789 1.00 33.03 N +ATOM 703 CA ILE A 587 36.676 -35.762 -3.351 1.00 32.24 C +ATOM 704 C ILE A 587 36.948 -34.536 -2.500 1.00 32.75 C +ATOM 705 O ILE A 587 36.757 -34.563 -1.268 1.00 33.28 O +ATOM 706 CB ILE A 587 35.146 -36.014 -3.329 1.00 31.93 C +ATOM 707 CG1 ILE A 587 34.839 -37.378 -3.969 1.00 32.43 C +ATOM 708 CG2 ILE A 587 34.400 -34.850 -3.986 1.00 29.54 C +ATOM 709 CD1 ILE A 587 33.414 -37.646 -4.110 1.00 33.11 C +ATOM 710 N VAL A 588 37.407 -33.469 -3.142 1.00 31.54 N +ATOM 711 CA VAL A 588 37.649 -32.212 -2.461 1.00 30.30 C +ATOM 712 C VAL A 588 36.674 -31.261 -3.076 1.00 29.16 C +ATOM 713 O VAL A 588 36.554 -31.236 -4.297 1.00 30.32 O +ATOM 714 CB VAL A 588 39.106 -31.693 -2.702 1.00 31.01 C +ATOM 715 CG1 VAL A 588 39.292 -30.236 -2.136 1.00 26.45 C +ATOM 716 CG2 VAL A 588 40.116 -32.688 -2.125 1.00 23.77 C +ATOM 717 N MET A 589 35.955 -30.509 -2.245 1.00 30.53 N +ATOM 718 CA MET A 589 35.026 -29.487 -2.718 1.00 33.15 C +ATOM 719 C MET A 589 35.475 -28.185 -2.151 1.00 33.91 C +ATOM 720 O MET A 589 35.704 -28.082 -0.952 1.00 35.52 O +ATOM 721 CB MET A 589 33.615 -29.791 -2.263 1.00 35.53 C +ATOM 722 CG MET A 589 33.113 -31.073 -2.876 1.00 37.97 C +ATOM 723 SD MET A 589 31.625 -31.656 -2.119 1.00 40.37 S +ATOM 724 CE MET A 589 31.829 -33.412 -2.332 1.00 39.46 C +ATOM 725 N GLY A 590 35.611 -27.186 -3.009 1.00 35.48 N +ATOM 726 CA GLY A 590 36.208 -25.944 -2.599 1.00 37.70 C +ATOM 727 C GLY A 590 37.656 -26.245 -2.257 1.00 38.58 C +ATOM 728 O GLY A 590 38.327 -27.026 -2.963 1.00 38.16 O +ATOM 729 N LYS A 591 38.146 -25.626 -1.184 1.00 38.16 N +ATOM 730 CA LYS A 591 39.511 -25.872 -0.746 1.00 39.64 C +ATOM 731 C LYS A 591 39.556 -26.375 0.689 1.00 40.14 C +ATOM 732 O LYS A 591 40.611 -26.779 1.159 1.00 40.24 O +ATOM 733 CB LYS A 591 40.358 -24.604 -0.922 1.00 38.34 C +ATOM 734 CG LYS A 591 40.223 -24.003 -2.308 1.00 39.46 C +ATOM 735 CD LYS A 591 41.116 -22.801 -2.537 1.00 39.27 C +ATOM 736 CE LYS A 591 40.833 -22.175 -3.904 1.00 37.93 C +ATOM 737 NZ LYS A 591 41.233 -23.074 -4.997 1.00 35.34 N +ATOM 738 N ASN A 592 38.410 -26.391 1.365 1.00 41.88 N +ATOM 739 CA ASN A 592 38.358 -26.764 2.776 1.00 44.26 C +ATOM 740 C ASN A 592 37.540 -28.013 3.126 1.00 45.30 C +ATOM 741 O ASN A 592 37.292 -28.274 4.307 1.00 45.47 O +ATOM 742 CB ASN A 592 37.840 -25.560 3.565 1.00 46.63 C +ATOM 743 CG ASN A 592 38.801 -24.396 3.513 1.00 47.14 C +ATOM 744 OD1 ASN A 592 39.937 -24.509 3.989 1.00 49.48 O +ATOM 745 ND2 ASN A 592 38.372 -23.281 2.908 1.00 43.69 N +ATOM 746 N HIS A 593 37.132 -28.790 2.121 1.00 45.11 N +ATOM 747 CA HIS A 593 36.296 -29.975 2.367 1.00 42.19 C +ATOM 748 C HIS A 593 36.830 -31.169 1.610 1.00 40.68 C +ATOM 749 O HIS A 593 36.808 -31.180 0.385 1.00 42.97 O +ATOM 750 CB HIS A 593 34.853 -29.688 1.996 1.00 41.20 C +ATOM 751 CG HIS A 593 34.277 -28.523 2.732 1.00 42.52 C +ATOM 752 ND1 HIS A 593 33.745 -28.634 3.996 1.00 43.04 N +ATOM 753 CD2 HIS A 593 34.176 -27.212 2.395 1.00 44.30 C +ATOM 754 CE1 HIS A 593 33.321 -27.447 4.400 1.00 43.02 C +ATOM 755 NE2 HIS A 593 33.571 -26.567 3.448 1.00 42.81 N +ATOM 756 N VAL A 594 37.326 -32.153 2.358 1.00 36.50 N +ATOM 757 CA VAL A 594 37.840 -33.384 1.799 1.00 35.82 C +ATOM 758 C VAL A 594 37.028 -34.594 2.257 1.00 35.41 C +ATOM 759 O VAL A 594 36.798 -34.802 3.466 1.00 33.04 O +ATOM 760 CB VAL A 594 39.308 -33.621 2.221 1.00 35.48 C +ATOM 761 CG1 VAL A 594 39.932 -34.796 1.389 1.00 30.08 C +ATOM 762 CG2 VAL A 594 40.096 -32.332 2.068 1.00 33.49 C +ATOM 763 N PHE A 595 36.630 -35.414 1.291 1.00 35.00 N +ATOM 764 CA PHE A 595 35.884 -36.623 1.585 1.00 35.51 C +ATOM 765 C PHE A 595 36.474 -37.845 0.943 1.00 33.17 C +ATOM 766 O PHE A 595 37.226 -37.744 -0.014 1.00 32.30 O +ATOM 767 CB PHE A 595 34.464 -36.482 1.062 1.00 36.83 C +ATOM 768 CG PHE A 595 33.730 -35.325 1.635 1.00 36.37 C +ATOM 769 CD1 PHE A 595 33.117 -35.426 2.864 1.00 37.62 C +ATOM 770 CD2 PHE A 595 33.644 -34.138 0.942 1.00 37.74 C +ATOM 771 CE1 PHE A 595 32.433 -34.362 3.398 1.00 38.41 C +ATOM 772 CE2 PHE A 595 32.956 -33.066 1.469 1.00 38.81 C +ATOM 773 CZ PHE A 595 32.352 -33.175 2.700 1.00 37.10 C +ATOM 774 N ARG A 596 36.108 -39.010 1.465 1.00 35.54 N +ATOM 775 CA ARG A 596 36.182 -40.239 0.672 1.00 37.46 C +ATOM 776 C ARG A 596 34.790 -40.733 0.310 1.00 34.58 C +ATOM 777 O ARG A 596 33.868 -40.686 1.113 1.00 34.02 O +ATOM 778 CB ARG A 596 36.966 -41.343 1.374 1.00 38.62 C +ATOM 779 CG ARG A 596 37.833 -42.107 0.379 1.00 41.86 C +ATOM 780 CD ARG A 596 38.416 -43.385 0.910 1.00 43.55 C +ATOM 781 NE ARG A 596 39.088 -43.194 2.187 1.00 47.65 N +ATOM 782 CZ ARG A 596 40.286 -42.626 2.348 1.00 50.46 C +ATOM 783 NH1 ARG A 596 40.979 -42.158 1.295 1.00 49.25 N +ATOM 784 NH2 ARG A 596 40.788 -42.514 3.584 1.00 49.67 N +ATOM 785 N PHE A 597 34.654 -41.173 -0.925 1.00 34.19 N +ATOM 786 CA PHE A 597 33.495 -41.918 -1.356 1.00 36.94 C +ATOM 787 C PHE A 597 33.752 -43.410 -1.114 1.00 38.10 C +ATOM 788 O PHE A 597 34.716 -43.981 -1.620 1.00 37.12 O +ATOM 789 CB PHE A 597 33.218 -41.665 -2.827 1.00 33.82 C +ATOM 790 CG PHE A 597 32.103 -42.484 -3.368 1.00 34.25 C +ATOM 791 CD1 PHE A 597 32.361 -43.630 -4.097 1.00 34.42 C +ATOM 792 CD2 PHE A 597 30.779 -42.115 -3.143 1.00 34.60 C +ATOM 793 CE1 PHE A 597 31.331 -44.399 -4.602 1.00 33.09 C +ATOM 794 CE2 PHE A 597 29.742 -42.877 -3.655 1.00 33.90 C +ATOM 795 CZ PHE A 597 30.020 -44.021 -4.384 1.00 33.37 C +ATOM 796 N ASN A 598 32.876 -44.024 -0.332 1.00 42.71 N +ATOM 797 CA ASN A 598 32.989 -45.421 0.041 1.00 45.87 C +ATOM 798 C ASN A 598 31.744 -46.136 -0.361 1.00 49.10 C +ATOM 799 O ASN A 598 30.647 -45.756 0.023 1.00 47.40 O +ATOM 800 CB ASN A 598 33.174 -45.534 1.546 1.00 51.00 C +ATOM 801 CG ASN A 598 34.605 -45.249 1.970 1.00 57.61 C +ATOM 802 OD1 ASN A 598 35.537 -45.900 1.469 1.00 63.68 O +ATOM 803 ND2 ASN A 598 34.803 -44.266 2.879 1.00 58.17 N +ATOM 804 N HIS A 599 31.895 -47.175 -1.145 1.00 54.35 N +ATOM 805 CA HIS A 599 30.735 -47.891 -1.591 1.00 59.72 C +ATOM 806 C HIS A 599 30.666 -49.241 -0.922 1.00 61.88 C +ATOM 807 O HIS A 599 29.823 -49.437 -0.022 1.00 66.43 O +ATOM 808 CB HIS A 599 30.781 -48.058 -3.079 1.00 62.88 C +ATOM 809 CG HIS A 599 29.460 -48.360 -3.664 1.00 65.08 C +ATOM 810 ND1 HIS A 599 29.056 -47.847 -4.876 1.00 67.36 N +ATOM 811 CD2 HIS A 599 28.428 -49.101 -3.193 1.00 67.03 C +ATOM 812 CE1 HIS A 599 27.835 -48.282 -5.139 1.00 69.87 C +ATOM 813 NE2 HIS A 599 27.433 -49.047 -4.135 1.00 68.89 N +ATOM 814 OXT HIS A 599 31.442 -50.137 -1.282 1.00 58.61 O Added: SwiftApps/modFTdock/input/2g7r-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2g7r-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2g7r-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,665 @@ +ATOM 1 N THR A 29 -18.972 17.409 16.165 1.00 20.56 N +ATOM 2 CA THR A 29 -17.674 16.866 15.673 1.00 22.54 C +ATOM 3 C THR A 29 -17.869 15.569 14.906 1.00 24.89 C +ATOM 4 O THR A 29 -18.587 14.660 15.366 1.00 24.47 O +ATOM 5 CB THR A 29 -16.580 16.732 16.786 1.00 22.57 C +ATOM 6 OG1 THR A 29 -15.745 17.894 16.765 1.00 20.94 O +ATOM 7 CG2 THR A 29 -15.653 15.535 16.563 1.00 22.45 C +ATOM 8 N LEU A 30 -17.203 15.515 13.745 1.00 24.32 N +ATOM 9 CA LEU A 30 -17.353 14.452 12.744 1.00 24.85 C +ATOM 10 C LEU A 30 -17.177 13.000 13.211 1.00 24.97 C +ATOM 11 O LEU A 30 -17.896 12.122 12.761 1.00 26.61 O +ATOM 12 CB LEU A 30 -16.415 14.727 11.566 1.00 24.86 C +ATOM 13 CG LEU A 30 -16.932 15.432 10.314 1.00 22.53 C +ATOM 14 CD1 LEU A 30 -18.030 16.464 10.592 1.00 23.12 C +ATOM 15 CD2 LEU A 30 -15.752 16.046 9.615 1.00 20.00 C +ATOM 16 N ASN A 31 -16.228 12.724 14.088 1.00 24.08 N +ATOM 17 CA ASN A 31 -16.023 11.330 14.489 1.00 24.30 C +ATOM 18 C ASN A 31 -17.020 10.906 15.572 1.00 24.77 C +ATOM 19 O ASN A 31 -17.003 9.750 16.038 1.00 23.44 O +ATOM 20 CB ASN A 31 -14.604 11.137 14.987 1.00 23.23 C +ATOM 21 CG ASN A 31 -14.227 12.160 16.012 1.00 21.55 C +ATOM 22 OD1 ASN A 31 -14.661 13.309 15.940 1.00 19.83 O +ATOM 23 ND2 ASN A 31 -13.423 11.757 16.980 1.00 21.26 N +ATOM 24 N ARG A 32 -17.889 11.852 15.949 1.00 24.35 N +ATOM 25 CA ARG A 32 -18.881 11.660 17.010 1.00 22.68 C +ATOM 26 C ARG A 32 -20.318 11.645 16.508 1.00 22.74 C +ATOM 27 O ARG A 32 -21.222 11.682 17.323 1.00 25.33 O +ATOM 28 CB ARG A 32 -18.757 12.746 18.099 1.00 22.16 C +ATOM 29 CG ARG A 32 -17.461 12.752 18.923 1.00 22.65 C +ATOM 30 CD ARG A 32 -17.299 11.496 19.766 1.00 22.71 C +ATOM 31 NE ARG A 32 -16.042 11.497 20.519 1.00 27.16 N +ATOM 32 CZ ARG A 32 -15.336 10.405 20.826 1.00 26.58 C +ATOM 33 NH1 ARG A 32 -15.754 9.203 20.426 1.00 24.46 N +ATOM 34 NH2 ARG A 32 -14.202 10.515 21.521 1.00 22.53 N +ATOM 35 N LEU A 33 -20.553 11.615 15.197 1.00 22.01 N +ATOM 36 CA LEU A 33 -21.918 11.395 14.691 1.00 22.56 C +ATOM 37 C LEU A 33 -22.229 9.893 14.694 1.00 22.85 C +ATOM 38 O LEU A 33 -21.325 9.072 14.744 1.00 24.82 O +ATOM 39 CB LEU A 33 -22.093 11.961 13.274 1.00 23.22 C +ATOM 40 CG LEU A 33 -21.518 13.322 12.884 1.00 24.13 C +ATOM 41 CD1 LEU A 33 -21.309 13.410 11.375 1.00 21.88 C +ATOM 42 CD2 LEU A 33 -22.409 14.442 13.393 1.00 21.80 C +ATOM 43 N ARG A 34 -23.497 9.515 14.620 1.00 24.87 N +ATOM 44 CA ARG A 34 -23.827 8.099 14.698 1.00 26.07 C +ATOM 45 C ARG A 34 -23.386 7.398 13.426 1.00 26.77 C +ATOM 46 O ARG A 34 -23.328 8.016 12.365 1.00 25.56 O +ATOM 47 CB ARG A 34 -25.313 7.882 14.937 1.00 26.36 C +ATOM 48 CG ARG A 34 -25.949 8.800 15.981 1.00 29.72 C +ATOM 49 CD ARG A 34 -27.296 9.291 15.451 1.00 36.41 C +ATOM 50 NE ARG A 34 -27.262 9.402 13.978 1.00 41.12 N +ATOM 51 CZ ARG A 34 -28.023 8.699 13.130 1.00 40.42 C +ATOM 52 NH1 ARG A 34 -28.925 7.824 13.586 1.00 38.74 N +ATOM 53 NH2 ARG A 34 -27.885 8.876 11.816 1.00 38.22 N +ATOM 54 N GLU A 35 -23.080 6.103 13.549 1.00 29.05 N +ATOM 55 CA GLU A 35 -22.528 5.294 12.444 1.00 29.33 C +ATOM 56 C GLU A 35 -23.280 5.419 11.141 1.00 29.07 C +ATOM 57 O GLU A 35 -22.654 5.584 10.104 1.00 29.54 O +ATOM 58 CB GLU A 35 -22.333 3.827 12.848 1.00 28.96 C +ATOM 59 CG GLU A 35 -20.931 3.589 13.343 1.00 33.80 C +ATOM 60 CD GLU A 35 -20.188 4.910 13.604 1.00 38.91 C +ATOM 61 OE1 GLU A 35 -20.512 5.589 14.615 1.00 38.29 O +ATOM 62 OE2 GLU A 35 -19.301 5.278 12.782 1.00 41.78 O +ATOM 63 N PRO A 36 -24.623 5.337 11.187 1.00 29.03 N +ATOM 64 CA PRO A 36 -25.395 5.565 9.973 1.00 28.82 C +ATOM 65 C PRO A 36 -25.045 6.891 9.286 1.00 29.08 C +ATOM 66 O PRO A 36 -24.943 6.935 8.062 1.00 30.04 O +ATOM 67 CB PRO A 36 -26.839 5.579 10.490 1.00 28.59 C +ATOM 68 CG PRO A 36 -26.806 4.666 11.661 1.00 27.03 C +ATOM 69 CD PRO A 36 -25.501 4.997 12.326 1.00 27.69 C +ATOM 70 N LEU A 37 -24.842 7.954 10.060 1.00 28.20 N +ATOM 71 CA LEU A 37 -24.585 9.252 9.453 1.00 27.53 C +ATOM 72 C LEU A 37 -23.222 9.232 8.793 1.00 27.19 C +ATOM 73 O LEU A 37 -23.098 9.466 7.592 1.00 28.69 O +ATOM 74 CB LEU A 37 -24.678 10.392 10.474 1.00 26.06 C +ATOM 75 CG LEU A 37 -24.812 11.725 9.734 1.00 26.66 C +ATOM 76 CD1 LEU A 37 -26.042 11.704 8.816 1.00 25.75 C +ATOM 77 CD2 LEU A 37 -24.842 12.912 10.681 1.00 24.36 C +ATOM 78 N LEU A 38 -22.212 8.923 9.596 1.00 26.35 N +ATOM 79 CA LEU A 38 -20.854 8.865 9.145 1.00 25.59 C +ATOM 80 C LEU A 38 -20.701 7.895 7.963 1.00 27.63 C +ATOM 81 O LEU A 38 -20.153 8.265 6.923 1.00 29.59 O +ATOM 82 CB LEU A 38 -19.954 8.486 10.314 1.00 25.29 C +ATOM 83 CG LEU A 38 -18.633 9.248 10.297 1.00 24.77 C +ATOM 84 CD1 LEU A 38 -17.691 8.628 9.318 1.00 26.78 C +ATOM 85 CD2 LEU A 38 -18.856 10.698 9.915 1.00 22.69 C +ATOM 86 N ARG A 39 -21.202 6.669 8.117 1.00 27.37 N +ATOM 87 CA ARG A 39 -21.185 5.656 7.060 1.00 25.84 C +ATOM 88 C ARG A 39 -21.877 6.187 5.796 1.00 25.31 C +ATOM 89 O ARG A 39 -21.350 6.055 4.689 1.00 25.73 O +ATOM 90 CB ARG A 39 -21.853 4.373 7.576 1.00 26.02 C +ATOM 91 CG ARG A 39 -22.103 3.274 6.561 1.00 28.32 C +ATOM 92 CD ARG A 39 -20.895 2.355 6.452 1.00 32.71 C +ATOM 93 NE ARG A 39 -20.851 1.657 5.167 1.00 32.84 N +ATOM 94 CZ ARG A 39 -20.340 2.166 4.045 1.00 33.09 C +ATOM 95 NH1 ARG A 39 -19.827 3.394 4.023 1.00 33.28 N +ATOM 96 NH2 ARG A 39 -20.353 1.448 2.932 1.00 32.62 N +ATOM 97 N ARG A 40 -23.042 6.805 5.963 1.00 23.99 N +ATOM 98 CA ARG A 40 -23.780 7.361 4.834 1.00 24.48 C +ATOM 99 C ARG A 40 -22.959 8.448 4.139 1.00 24.80 C +ATOM 100 O ARG A 40 -22.818 8.435 2.916 1.00 25.84 O +ATOM 101 CB ARG A 40 -25.108 7.935 5.306 1.00 24.16 C +ATOM 102 CG ARG A 40 -25.955 8.557 4.235 1.00 26.48 C +ATOM 103 CD ARG A 40 -26.739 7.502 3.497 1.00 31.26 C +ATOM 104 NE ARG A 40 -26.311 7.360 2.104 1.00 34.40 N +ATOM 105 CZ ARG A 40 -27.000 7.822 1.058 1.00 33.89 C +ATOM 106 NH1 ARG A 40 -28.150 8.469 1.241 1.00 32.22 N +ATOM 107 NH2 ARG A 40 -26.537 7.644 -0.176 1.00 32.56 N +ATOM 108 N LEU A 41 -22.425 9.382 4.926 1.00 23.55 N +ATOM 109 CA LEU A 41 -21.582 10.456 4.419 1.00 22.95 C +ATOM 110 C LEU A 41 -20.304 9.962 3.700 1.00 24.41 C +ATOM 111 O LEU A 41 -19.829 10.603 2.764 1.00 23.08 O +ATOM 112 CB LEU A 41 -21.187 11.366 5.578 1.00 22.12 C +ATOM 113 CG LEU A 41 -21.822 12.754 5.749 1.00 23.49 C +ATOM 114 CD1 LEU A 41 -23.268 12.852 5.221 1.00 16.30 C +ATOM 115 CD2 LEU A 41 -21.722 13.201 7.235 1.00 22.91 C +ATOM 116 N SER A 42 -19.737 8.837 4.142 1.00 23.52 N +ATOM 117 CA SER A 42 -18.449 8.427 3.628 1.00 22.89 C +ATOM 118 C SER A 42 -18.558 7.819 2.231 1.00 23.50 C +ATOM 119 O SER A 42 -17.754 8.141 1.359 1.00 23.29 O +ATOM 120 CB SER A 42 -17.708 7.503 4.611 1.00 23.08 C +ATOM 121 OG SER A 42 -18.521 6.446 5.087 1.00 25.49 O +ATOM 122 N GLU A 43 -19.566 6.970 2.020 1.00 23.66 N +ATOM 123 CA GLU A 43 -19.773 6.305 0.731 1.00 22.38 C +ATOM 124 C GLU A 43 -20.230 7.269 -0.347 1.00 22.73 C +ATOM 125 O GLU A 43 -19.956 7.057 -1.530 1.00 23.52 O +ATOM 126 CB GLU A 43 -20.763 5.152 0.862 1.00 21.89 C +ATOM 127 CG GLU A 43 -22.156 5.559 1.260 1.00 25.39 C +ATOM 128 CD GLU A 43 -22.921 4.434 1.940 1.00 32.28 C +ATOM 129 OE1 GLU A 43 -22.274 3.511 2.488 1.00 32.37 O +ATOM 130 OE2 GLU A 43 -24.176 4.474 1.932 1.00 33.99 O +ATOM 131 N LEU A 44 -20.934 8.323 0.058 1.00 22.94 N +ATOM 132 CA LEU A 44 -21.349 9.361 -0.874 1.00 23.83 C +ATOM 133 C LEU A 44 -20.117 10.106 -1.359 1.00 24.93 C +ATOM 134 O LEU A 44 -20.012 10.446 -2.542 1.00 25.87 O +ATOM 135 CB LEU A 44 -22.339 10.324 -0.236 1.00 23.13 C +ATOM 136 CG LEU A 44 -23.826 9.961 -0.244 1.00 25.43 C +ATOM 137 CD1 LEU A 44 -24.588 10.997 0.598 1.00 25.63 C +ATOM 138 CD2 LEU A 44 -24.430 9.858 -1.653 1.00 21.55 C +ATOM 139 N LEU A 45 -19.179 10.335 -0.445 1.00 25.31 N +ATOM 140 CA LEU A 45 -17.875 10.899 -0.788 1.00 26.54 C +ATOM 141 C LEU A 45 -17.008 9.921 -1.618 1.00 26.72 C +ATOM 142 O LEU A 45 -16.262 10.356 -2.502 1.00 27.63 O +ATOM 143 CB LEU A 45 -17.130 11.325 0.481 1.00 25.80 C +ATOM 144 CG LEU A 45 -16.533 12.727 0.585 1.00 26.61 C +ATOM 145 CD1 LEU A 45 -15.286 12.673 1.457 1.00 25.24 C +ATOM 146 CD2 LEU A 45 -16.211 13.395 -0.776 1.00 27.47 C +ATOM 147 N ASP A 46 -17.110 8.618 -1.332 1.00 26.94 N +ATOM 148 CA ASP A 46 -16.459 7.563 -2.123 1.00 28.24 C +ATOM 149 C ASP A 46 -16.928 7.492 -3.582 1.00 30.91 C +ATOM 150 O ASP A 46 -16.708 6.482 -4.259 1.00 31.91 O +ATOM 151 N GLN A 47 -17.591 8.551 -4.066 1.00 31.75 N +ATOM 152 CA GLN A 47 -17.928 8.706 -5.501 1.00 32.22 C +ATOM 153 C GLN A 47 -18.023 10.182 -5.939 1.00 31.89 C +ATOM 154 O GLN A 47 -18.984 10.865 -5.601 1.00 32.04 O +ATOM 155 CB GLN A 47 -19.193 7.921 -5.869 1.00 30.98 C +ATOM 156 CG GLN A 47 -20.341 8.054 -4.873 1.00 33.62 C +ATOM 157 CD GLN A 47 -20.813 6.711 -4.357 1.00 33.79 C +ATOM 158 OE1 GLN A 47 -19.999 5.822 -4.099 1.00 36.39 O +ATOM 159 NE2 GLN A 47 -22.124 6.559 -4.183 1.00 30.43 N +ATOM 160 N ALA A 48 -17.021 10.648 -6.701 1.00 32.80 N +ATOM 161 CA ALA A 48 -16.811 12.081 -6.992 1.00 32.96 C +ATOM 162 C ALA A 48 -15.451 12.390 -7.646 1.00 31.93 C +ATOM 163 O ALA A 48 -15.246 12.179 -8.846 1.00 32.20 O +ATOM 164 CB ALA A 48 -16.965 12.918 -5.690 1.00 33.50 C +ATOM 165 N GLY A 53 -14.392 14.947 -4.441 1.00 8.38 N +ATOM 166 CA GLY A 53 -13.760 13.735 -3.902 1.00 12.07 C +ATOM 167 C GLY A 53 -13.022 13.912 -2.581 1.00 12.76 C +ATOM 168 O GLY A 53 -12.793 15.023 -2.129 1.00 14.41 O +ATOM 169 N TRP A 54 -12.612 12.814 -1.965 1.00 14.67 N +ATOM 170 CA TRP A 54 -11.965 12.925 -0.661 1.00 17.35 C +ATOM 171 C TRP A 54 -10.551 13.497 -0.717 1.00 18.31 C +ATOM 172 O TRP A 54 -10.106 14.075 0.293 1.00 22.22 O +ATOM 173 CB TRP A 54 -11.972 11.604 0.118 1.00 15.81 C +ATOM 174 CG TRP A 54 -11.159 10.560 -0.500 1.00 16.38 C +ATOM 175 CD1 TRP A 54 -11.578 9.636 -1.410 1.00 19.35 C +ATOM 176 CD2 TRP A 54 -9.769 10.282 -0.256 1.00 19.66 C +ATOM 177 NE1 TRP A 54 -10.531 8.800 -1.760 1.00 18.24 N +ATOM 178 CE2 TRP A 54 -9.411 9.180 -1.070 1.00 15.10 C +ATOM 179 CE3 TRP A 54 -8.789 10.859 0.572 1.00 22.31 C +ATOM 180 CZ2 TRP A 54 -8.128 8.657 -1.093 1.00 14.40 C +ATOM 181 CZ3 TRP A 54 -7.506 10.332 0.551 1.00 16.30 C +ATOM 182 CH2 TRP A 54 -7.191 9.242 -0.276 1.00 18.02 C +ATOM 183 N ARG A 55 -9.843 13.358 -1.846 1.00 14.48 N +ATOM 184 CA ARG A 55 -8.515 13.974 -1.941 1.00 14.07 C +ATOM 185 C ARG A 55 -8.634 15.470 -2.150 1.00 13.53 C +ATOM 186 O ARG A 55 -7.779 16.240 -1.702 1.00 14.43 O +ATOM 187 CB ARG A 55 -7.644 13.378 -3.044 1.00 12.59 C +ATOM 188 CG ARG A 55 -7.710 11.884 -3.152 1.00 14.67 C +ATOM 189 CD ARG A 55 -6.603 11.365 -4.038 1.00 17.45 C +ATOM 190 NE ARG A 55 -5.407 10.971 -3.294 1.00 18.43 N +ATOM 191 CZ ARG A 55 -4.954 9.722 -3.217 1.00 16.67 C +ATOM 192 NH1 ARG A 55 -5.600 8.742 -3.836 1.00 16.15 N +ATOM 193 NH2 ARG A 55 -3.856 9.449 -2.528 1.00 14.35 N +ATOM 194 N ARG A 56 -9.693 15.886 -2.826 1.00 12.58 N +ATOM 195 CA ARG A 56 -9.895 17.300 -3.048 1.00 14.01 C +ATOM 196 C ARG A 56 -10.282 17.919 -1.707 1.00 15.74 C +ATOM 197 O ARG A 56 -9.660 18.892 -1.267 1.00 15.26 O +ATOM 198 CB ARG A 56 -10.935 17.521 -4.154 1.00 12.97 C +ATOM 199 CG ARG A 56 -11.164 18.971 -4.603 1.00 14.50 C +ATOM 200 CD ARG A 56 -9.941 19.878 -4.496 1.00 14.54 C +ATOM 201 NE ARG A 56 -10.287 21.281 -4.733 1.00 17.24 N +ATOM 202 CZ ARG A 56 -9.580 22.333 -4.302 1.00 20.80 C +ATOM 203 NH1 ARG A 56 -8.475 22.158 -3.580 1.00 20.23 N +ATOM 204 NH2 ARG A 56 -9.983 23.575 -4.588 1.00 20.63 N +ATOM 205 N LEU A 57 -11.270 17.310 -1.041 1.00 18.56 N +ATOM 206 CA LEU A 57 -11.695 17.717 0.297 1.00 18.94 C +ATOM 207 C LEU A 57 -10.500 17.851 1.207 1.00 18.91 C +ATOM 208 O LEU A 57 -10.248 18.922 1.752 1.00 18.95 O +ATOM 209 CB LEU A 57 -12.706 16.727 0.900 1.00 20.34 C +ATOM 210 CG LEU A 57 -13.123 16.985 2.367 1.00 19.49 C +ATOM 211 CD1 LEU A 57 -13.751 18.354 2.534 1.00 18.59 C +ATOM 212 CD2 LEU A 57 -14.086 15.917 2.834 1.00 18.38 C +ATOM 213 N ALA A 58 -9.770 16.750 1.358 1.00 19.46 N +ATOM 214 CA ALA A 58 -8.585 16.696 2.201 1.00 18.58 C +ATOM 215 C ALA A 58 -7.611 17.800 1.799 1.00 20.05 C +ATOM 216 O ALA A 58 -6.966 18.398 2.650 1.00 20.39 O +ATOM 217 CB ALA A 58 -7.944 15.369 2.054 1.00 17.39 C +ATOM 218 N GLU A 59 -7.532 18.088 0.497 1.00 21.26 N +ATOM 219 CA GLU A 59 -6.606 19.095 -0.020 1.00 20.53 C +ATOM 220 C GLU A 59 -7.053 20.516 0.312 1.00 20.11 C +ATOM 221 O GLU A 59 -6.228 21.381 0.617 1.00 18.26 O +ATOM 222 CB GLU A 59 -6.449 18.941 -1.520 1.00 20.34 C +ATOM 223 CG GLU A 59 -5.049 19.201 -1.976 1.00 22.94 C +ATOM 224 CD GLU A 59 -5.005 20.227 -3.079 1.00 27.05 C +ATOM 225 OE1 GLU A 59 -6.017 20.353 -3.807 1.00 29.04 O +ATOM 226 OE2 GLU A 59 -3.962 20.914 -3.219 1.00 28.38 O +ATOM 227 N LEU A 60 -8.366 20.727 0.257 1.00 20.93 N +ATOM 228 CA LEU A 60 -9.006 22.011 0.545 1.00 22.37 C +ATOM 229 C LEU A 60 -8.871 22.412 2.027 1.00 22.82 C +ATOM 230 O LEU A 60 -8.722 23.589 2.356 1.00 23.27 O +ATOM 231 CB LEU A 60 -10.487 21.922 0.154 1.00 21.77 C +ATOM 232 CG LEU A 60 -11.297 23.154 -0.234 1.00 21.91 C +ATOM 233 CD1 LEU A 60 -11.473 24.125 0.911 1.00 23.79 C +ATOM 234 CD2 LEU A 60 -10.660 23.855 -1.411 1.00 26.59 C +ATOM 235 N ALA A 61 -8.932 21.420 2.905 1.00 23.77 N +ATOM 236 CA ALA A 61 -8.791 21.606 4.339 1.00 25.08 C +ATOM 237 C ALA A 61 -7.324 21.345 4.760 1.00 26.49 C +ATOM 238 O ALA A 61 -6.865 20.201 4.780 1.00 26.81 O +ATOM 239 CB ALA A 61 -9.741 20.665 5.040 1.00 23.00 C +ATOM 240 N GLY A 62 -6.571 22.402 5.057 1.00 27.42 N +ATOM 241 CA GLY A 62 -5.136 22.249 5.358 1.00 27.40 C +ATOM 242 C GLY A 62 -4.225 22.903 4.335 1.00 27.28 C +ATOM 243 O GLY A 62 -4.215 24.131 4.196 1.00 28.24 O +ATOM 244 N LEU A 69 -3.310 18.542 8.667 1.00 24.07 N +ATOM 245 CA LEU A 69 -3.548 17.366 7.781 1.00 27.01 C +ATOM 246 C LEU A 69 -2.496 17.245 6.660 1.00 25.61 C +ATOM 247 O LEU A 69 -2.320 18.186 5.909 1.00 27.23 O +ATOM 248 CB LEU A 69 -4.947 17.452 7.140 1.00 27.22 C +ATOM 249 CG LEU A 69 -5.753 16.178 6.861 1.00 27.63 C +ATOM 250 CD1 LEU A 69 -6.280 15.566 8.176 1.00 29.26 C +ATOM 251 CD2 LEU A 69 -6.922 16.496 5.962 1.00 24.27 C +ATOM 252 N SER A 70 -1.809 16.110 6.538 1.00 24.51 N +ATOM 253 CA SER A 70 -0.696 15.994 5.585 1.00 23.62 C +ATOM 254 C SER A 70 -0.773 14.752 4.717 1.00 23.91 C +ATOM 255 O SER A 70 -1.556 13.850 4.992 1.00 24.45 O +ATOM 256 CB SER A 70 0.630 15.959 6.335 1.00 23.59 C +ATOM 257 OG SER A 70 0.744 14.744 7.062 1.00 26.62 O +ATOM 258 N CYS A 71 0.067 14.720 3.681 1.00 24.05 N +ATOM 259 CA CYS A 71 0.321 13.542 2.846 1.00 22.74 C +ATOM 260 C CYS A 71 0.301 12.248 3.618 1.00 22.22 C +ATOM 261 O CYS A 71 -0.506 11.375 3.323 1.00 22.23 O +ATOM 262 CB CYS A 71 1.684 13.665 2.171 1.00 24.14 C +ATOM 263 SG CYS A 71 1.623 14.525 0.615 1.00 26.60 S +ATOM 264 N LEU A 72 1.178 12.118 4.613 1.00 23.25 N +ATOM 265 CA LEU A 72 1.248 10.873 5.387 1.00 25.16 C +ATOM 266 C LEU A 72 -0.021 10.595 6.210 1.00 25.98 C +ATOM 267 O LEU A 72 -0.445 9.444 6.336 1.00 27.47 O +ATOM 268 CB LEU A 72 2.552 10.727 6.198 1.00 24.80 C +ATOM 269 CG LEU A 72 3.307 11.867 6.891 1.00 26.34 C +ATOM 270 CD1 LEU A 72 4.468 11.259 7.683 1.00 25.28 C +ATOM 271 CD2 LEU A 72 3.831 12.968 5.936 1.00 25.95 C +ATOM 272 N ASP A 73 -0.660 11.648 6.715 1.00 26.58 N +ATOM 273 CA ASP A 73 -1.984 11.500 7.326 1.00 27.55 C +ATOM 274 C ASP A 73 -2.950 10.851 6.324 1.00 27.06 C +ATOM 275 O ASP A 73 -3.592 9.860 6.629 1.00 27.31 O +ATOM 276 CB ASP A 73 -2.512 12.844 7.852 1.00 27.65 C +ATOM 277 CG ASP A 73 -1.573 13.490 8.886 1.00 29.76 C +ATOM 278 OD1 ASP A 73 -1.662 14.728 9.082 1.00 34.86 O +ATOM 279 OD2 ASP A 73 -0.755 12.777 9.516 1.00 28.09 O +ATOM 280 N LEU A 74 -2.983 11.377 5.105 1.00 27.56 N +ATOM 281 CA LEU A 74 -3.837 10.849 4.037 1.00 27.18 C +ATOM 282 C LEU A 74 -3.520 9.403 3.608 1.00 27.56 C +ATOM 283 O LEU A 74 -4.406 8.687 3.137 1.00 28.53 O +ATOM 284 CB LEU A 74 -3.804 11.768 2.804 1.00 26.15 C +ATOM 285 CG LEU A 74 -4.034 13.284 2.949 1.00 25.58 C +ATOM 286 CD1 LEU A 74 -4.382 13.919 1.593 1.00 21.40 C +ATOM 287 CD2 LEU A 74 -5.112 13.593 4.004 1.00 22.03 C +ATOM 288 N GLU A 75 -2.280 8.961 3.753 1.00 26.15 N +ATOM 289 CA GLU A 75 -1.989 7.598 3.338 1.00 26.43 C +ATOM 290 C GLU A 75 -2.762 6.566 4.152 1.00 26.11 C +ATOM 291 O GLU A 75 -3.304 5.630 3.585 1.00 27.28 O +ATOM 292 CB GLU A 75 -0.487 7.312 3.281 1.00 26.63 C +ATOM 293 CG GLU A 75 0.063 7.612 1.893 1.00 29.02 C +ATOM 294 CD GLU A 75 1.583 7.711 1.824 1.00 33.10 C +ATOM 295 OE1 GLU A 75 2.275 7.240 2.753 1.00 33.72 O +ATOM 296 OE2 GLU A 75 2.092 8.272 0.824 1.00 33.58 O +ATOM 297 N GLN A 76 -2.846 6.751 5.469 1.00 25.27 N +ATOM 298 CA GLN A 76 -3.664 5.875 6.319 1.00 23.16 C +ATOM 299 C GLN A 76 -5.015 5.635 5.657 1.00 22.16 C +ATOM 300 O GLN A 76 -5.597 4.549 5.760 1.00 22.97 O +ATOM 301 CB GLN A 76 -3.902 6.522 7.688 1.00 23.88 C +ATOM 302 CG GLN A 76 -2.636 6.942 8.441 1.00 25.77 C +ATOM 303 CD GLN A 76 -2.021 5.818 9.269 1.00 26.11 C +ATOM 304 OE1 GLN A 76 -2.292 4.638 9.040 1.00 26.16 O +ATOM 305 NE2 GLN A 76 -1.184 6.186 10.235 1.00 25.45 N +ATOM 306 N CYS A 77 -5.493 6.673 4.973 1.00 20.00 N +ATOM 307 CA CYS A 77 -6.819 6.719 4.398 1.00 20.41 C +ATOM 308 C CYS A 77 -6.858 6.061 3.034 1.00 20.44 C +ATOM 309 O CYS A 77 -7.816 5.368 2.696 1.00 21.15 O +ATOM 310 CB CYS A 77 -7.305 8.170 4.309 1.00 19.17 C +ATOM 311 SG CYS A 77 -7.714 8.901 5.917 1.00 29.82 S +ATOM 312 N SER A 78 -5.808 6.297 2.258 1.00 19.65 N +ATOM 313 CA SER A 78 -5.702 5.840 0.896 1.00 17.83 C +ATOM 314 C SER A 78 -5.658 4.323 0.852 1.00 17.48 C +ATOM 315 O SER A 78 -6.307 3.679 0.013 1.00 16.47 O +ATOM 316 CB SER A 78 -4.422 6.412 0.326 1.00 18.18 C +ATOM 317 OG SER A 78 -4.208 5.947 -0.985 1.00 25.23 O +ATOM 318 N LEU A 79 -4.885 3.761 1.775 1.00 17.90 N +ATOM 319 CA LEU A 79 -4.699 2.327 1.888 1.00 18.64 C +ATOM 320 C LEU A 79 -5.923 1.568 2.414 1.00 21.39 C +ATOM 321 O LEU A 79 -5.902 0.333 2.486 1.00 23.40 O +ATOM 322 CB LEU A 79 -3.476 2.058 2.731 1.00 16.41 C +ATOM 323 CG LEU A 79 -2.256 2.365 1.873 1.00 19.52 C +ATOM 324 CD1 LEU A 79 -1.261 3.209 2.630 1.00 22.26 C +ATOM 325 CD2 LEU A 79 -1.596 1.096 1.327 1.00 14.03 C +ATOM 326 N LYS A 80 -6.989 2.296 2.764 1.00 22.35 N +ATOM 327 CA LYS A 80 -8.253 1.680 3.192 1.00 24.02 C +ATOM 328 C LYS A 80 -8.871 0.821 2.084 1.00 24.83 C +ATOM 329 O LYS A 80 -9.527 -0.194 2.352 1.00 26.91 O +ATOM 330 CB LYS A 80 -9.268 2.726 3.706 1.00 23.26 C +ATOM 331 CG LYS A 80 -8.973 3.241 5.123 1.00 25.35 C +ATOM 332 CD LYS A 80 -9.038 2.098 6.149 1.00 26.61 C +ATOM 333 CE LYS A 80 -7.928 2.190 7.188 1.00 28.10 C +ATOM 334 NZ LYS A 80 -8.276 3.044 8.348 1.00 28.04 N +ATOM 335 N VAL A 81 -8.615 1.210 0.844 1.00 25.34 N +ATOM 336 CA VAL A 81 -9.233 0.599 -0.328 1.00 25.00 C +ATOM 337 C VAL A 81 -8.824 -0.870 -0.491 1.00 24.37 C +ATOM 338 O VAL A 81 -9.530 -1.666 -1.092 1.00 24.49 O +ATOM 339 CB VAL A 81 -8.901 1.452 -1.575 1.00 24.99 C +ATOM 340 CG1 VAL A 81 -7.444 1.319 -1.950 1.00 24.66 C +ATOM 341 CG2 VAL A 81 -9.811 1.116 -2.739 1.00 29.60 C +ATOM 342 N LEU A 82 -7.689 -1.216 0.096 1.00 26.14 N +ATOM 343 CA LEU A 82 -7.161 -2.569 0.086 1.00 26.91 C +ATOM 344 C LEU A 82 -8.031 -3.529 0.878 1.00 29.44 C +ATOM 345 O LEU A 82 -8.007 -4.749 0.647 1.00 30.41 O +ATOM 346 CB LEU A 82 -5.772 -2.555 0.700 1.00 25.20 C +ATOM 347 CG LEU A 82 -4.743 -1.762 -0.100 1.00 26.25 C +ATOM 348 CD1 LEU A 82 -3.453 -1.750 0.694 1.00 27.38 C +ATOM 349 CD2 LEU A 82 -4.523 -2.368 -1.503 1.00 20.97 C +ATOM 350 N GLU A 83 -8.779 -2.974 1.829 1.00 31.26 N +ATOM 351 CA GLU A 83 -9.640 -3.759 2.699 1.00 32.65 C +ATOM 352 C GLU A 83 -10.948 -3.944 1.962 1.00 32.05 C +ATOM 353 O GLU A 83 -11.507 -2.978 1.451 1.00 31.84 O +ATOM 354 CB GLU A 83 -9.827 -3.052 4.036 1.00 32.94 C +ATOM 355 CG GLU A 83 -8.486 -2.614 4.656 1.00 35.37 C +ATOM 356 CD GLU A 83 -8.613 -2.142 6.096 1.00 35.45 C +ATOM 357 OE1 GLU A 83 -9.384 -2.769 6.856 1.00 40.11 O +ATOM 358 OE2 GLU A 83 -7.937 -1.156 6.472 1.00 36.80 O +ATOM 359 N PRO A 84 -11.429 -5.194 1.881 1.00 32.56 N +ATOM 360 CA PRO A 84 -12.467 -5.522 0.906 1.00 32.52 C +ATOM 361 C PRO A 84 -13.622 -4.505 0.834 1.00 33.03 C +ATOM 362 O PRO A 84 -14.102 -4.188 -0.260 1.00 33.82 O +ATOM 363 CB PRO A 84 -12.939 -6.898 1.370 1.00 31.78 C +ATOM 364 CG PRO A 84 -11.709 -7.500 1.967 1.00 31.53 C +ATOM 365 CD PRO A 84 -11.048 -6.371 2.688 1.00 31.85 C +ATOM 366 N GLU A 85 -14.039 -3.974 1.977 1.00 32.38 N +ATOM 367 CA GLU A 85 -15.190 -3.091 2.006 1.00 31.83 C +ATOM 368 C GLU A 85 -14.783 -1.649 2.327 1.00 30.88 C +ATOM 369 O GLU A 85 -15.607 -0.738 2.229 1.00 31.29 O +ATOM 370 CB GLU A 85 -16.210 -3.626 3.015 1.00 32.88 C +ATOM 371 CG GLU A 85 -17.672 -3.259 2.738 1.00 35.90 C +ATOM 372 CD GLU A 85 -18.232 -2.197 3.699 1.00 38.87 C +ATOM 373 OE1 GLU A 85 -17.503 -1.236 4.049 1.00 40.26 O +ATOM 374 OE2 GLU A 85 -19.415 -2.323 4.100 1.00 37.74 O +ATOM 375 N GLY A 86 -13.507 -1.449 2.667 1.00 28.74 N +ATOM 376 CA GLY A 86 -13.015 -0.193 3.259 1.00 25.98 C +ATOM 377 C GLY A 86 -13.199 1.102 2.482 1.00 24.41 C +ATOM 378 O GLY A 86 -13.292 1.087 1.258 1.00 24.44 O +ATOM 379 N SER A 87 -13.259 2.225 3.203 1.00 22.60 N +ATOM 380 CA SER A 87 -13.360 3.552 2.578 1.00 22.07 C +ATOM 381 C SER A 87 -12.416 4.604 3.162 1.00 20.66 C +ATOM 382 O SER A 87 -12.414 4.862 4.387 1.00 20.35 O +ATOM 383 CB SER A 87 -14.795 4.102 2.589 1.00 21.88 C +ATOM 384 OG SER A 87 -15.253 4.234 3.909 1.00 26.63 O +ATOM 385 N PRO A 88 -11.639 5.247 2.267 1.00 18.24 N +ATOM 386 CA PRO A 88 -10.726 6.335 2.624 1.00 18.36 C +ATOM 387 C PRO A 88 -11.481 7.567 3.134 1.00 19.04 C +ATOM 388 O PRO A 88 -10.979 8.309 3.982 1.00 20.52 O +ATOM 389 CB PRO A 88 -10.007 6.640 1.300 1.00 17.89 C +ATOM 390 CG PRO A 88 -10.273 5.412 0.409 1.00 14.70 C +ATOM 391 CD PRO A 88 -11.619 4.946 0.822 1.00 14.17 C +ATOM 392 N SER A 89 -12.686 7.777 2.628 1.00 18.32 N +ATOM 393 CA SER A 89 -13.473 8.900 3.060 1.00 19.10 C +ATOM 394 C SER A 89 -13.832 8.721 4.535 1.00 20.24 C +ATOM 395 O SER A 89 -13.746 9.674 5.314 1.00 21.22 O +ATOM 396 CB SER A 89 -14.724 9.017 2.203 1.00 18.51 C +ATOM 397 OG SER A 89 -14.366 9.069 0.843 1.00 20.81 O +ATOM 398 N LEU A 90 -14.193 7.495 4.923 1.00 19.84 N +ATOM 399 CA LEU A 90 -14.482 7.181 6.325 1.00 18.43 C +ATOM 400 C LEU A 90 -13.275 7.500 7.159 1.00 18.88 C +ATOM 401 O LEU A 90 -13.367 8.250 8.144 1.00 19.82 O +ATOM 402 CB LEU A 90 -14.861 5.717 6.508 1.00 17.46 C +ATOM 403 CG LEU A 90 -15.378 5.352 7.900 1.00 19.11 C +ATOM 404 CD1 LEU A 90 -16.294 6.449 8.445 1.00 13.11 C +ATOM 405 CD2 LEU A 90 -16.087 3.986 7.856 1.00 14.70 C +ATOM 406 N CYS A 91 -12.132 6.960 6.745 1.00 20.77 N +ATOM 407 CA CYS A 91 -10.892 7.296 7.415 1.00 19.59 C +ATOM 408 C CYS A 91 -10.745 8.838 7.462 1.00 17.56 C +ATOM 409 O CYS A 91 -10.564 9.405 8.545 1.00 17.62 O +ATOM 410 CB CYS A 91 -9.708 6.592 6.760 1.00 19.50 C +ATOM 411 SG CYS A 91 -8.084 7.278 7.224 1.00 28.96 S +ATOM 412 N LEU A 92 -10.897 9.514 6.320 1.00 15.24 N +ATOM 413 CA LEU A 92 -10.696 10.980 6.249 1.00 14.13 C +ATOM 414 C LEU A 92 -11.615 11.822 7.171 1.00 13.98 C +ATOM 415 O LEU A 92 -11.194 12.809 7.780 1.00 12.61 O +ATOM 416 CB LEU A 92 -10.835 11.487 4.809 1.00 11.07 C +ATOM 417 CG LEU A 92 -10.744 13.020 4.751 1.00 8.01 C +ATOM 418 CD1 LEU A 92 -9.341 13.510 5.057 1.00 5.37 C +ATOM 419 CD2 LEU A 92 -11.219 13.580 3.448 1.00 9.61 C +ATOM 420 N LEU A 93 -12.878 11.448 7.216 1.00 13.95 N +ATOM 421 CA LEU A 93 -13.838 12.179 7.984 1.00 15.84 C +ATOM 422 C LEU A 93 -13.545 12.000 9.481 1.00 16.92 C +ATOM 423 O LEU A 93 -13.507 12.978 10.213 1.00 17.38 O +ATOM 424 CB LEU A 93 -15.249 11.717 7.619 1.00 15.38 C +ATOM 425 CG LEU A 93 -15.753 12.103 6.221 1.00 14.79 C +ATOM 426 CD1 LEU A 93 -17.148 11.487 5.976 1.00 13.77 C +ATOM 427 CD2 LEU A 93 -15.767 13.637 5.960 1.00 10.91 C +ATOM 428 N LYS A 94 -13.292 10.767 9.917 1.00 17.04 N +ATOM 429 CA LYS A 94 -12.905 10.530 11.323 1.00 18.64 C +ATOM 430 C LYS A 94 -11.659 11.332 11.681 1.00 18.83 C +ATOM 431 O LYS A 94 -11.645 12.022 12.694 1.00 22.86 O +ATOM 432 CB LYS A 94 -12.728 9.030 11.652 1.00 16.63 C +ATOM 433 CG LYS A 94 -14.035 8.279 11.722 1.00 15.83 C +ATOM 434 CD LYS A 94 -13.808 6.795 11.625 1.00 19.25 C +ATOM 435 CE LYS A 94 -15.111 6.008 11.773 1.00 21.31 C +ATOM 436 NZ LYS A 94 -14.888 4.535 11.934 1.00 21.45 N +ATOM 437 N LEU A 95 -10.634 11.255 10.842 1.00 18.25 N +ATOM 438 CA LEU A 95 -9.436 12.069 10.983 1.00 17.53 C +ATOM 439 C LEU A 95 -9.790 13.554 11.065 1.00 17.51 C +ATOM 440 O LEU A 95 -9.271 14.265 11.927 1.00 17.18 O +ATOM 441 CB LEU A 95 -8.515 11.820 9.795 1.00 17.58 C +ATOM 442 CG LEU A 95 -7.026 12.117 9.924 1.00 19.61 C +ATOM 443 CD1 LEU A 95 -6.496 11.769 11.315 1.00 21.57 C +ATOM 444 CD2 LEU A 95 -6.229 11.379 8.824 1.00 19.59 C +ATOM 445 N MET A 96 -10.682 14.026 10.192 1.00 17.76 N +ATOM 446 CA MET A 96 -11.076 15.442 10.237 1.00 19.44 C +ATOM 447 C MET A 96 -11.812 15.754 11.531 1.00 19.09 C +ATOM 448 O MET A 96 -11.591 16.816 12.126 1.00 16.96 O +ATOM 449 CB MET A 96 -11.893 15.886 9.009 1.00 19.87 C +ATOM 450 CG MET A 96 -11.024 16.297 7.776 1.00 20.35 C +ATOM 451 SD MET A 96 -11.890 16.209 6.182 1.00 17.77 S +ATOM 452 CE MET A 96 -13.244 17.388 6.388 1.00 15.93 C +ATOM 453 N GLY A 97 -12.662 14.813 11.956 1.00 19.19 N +ATOM 454 CA GLY A 97 -13.364 14.876 13.249 1.00 20.03 C +ATOM 455 C GLY A 97 -12.423 15.105 14.427 1.00 19.96 C +ATOM 456 O GLY A 97 -12.549 16.095 15.130 1.00 17.34 O +ATOM 457 N GLU A 98 -11.475 14.181 14.606 1.00 21.20 N +ATOM 458 CA GLU A 98 -10.412 14.262 15.603 1.00 23.69 C +ATOM 459 C GLU A 98 -9.705 15.629 15.609 1.00 24.25 C +ATOM 460 O GLU A 98 -9.431 16.185 16.685 1.00 25.99 O +ATOM 461 CB GLU A 98 -9.399 13.131 15.384 1.00 21.72 C +ATOM 462 CG GLU A 98 -10.011 11.721 15.341 1.00 25.60 C +ATOM 463 CD GLU A 98 -9.016 10.605 14.899 1.00 29.18 C +ATOM 464 OE1 GLU A 98 -7.807 10.891 14.674 1.00 34.78 O +ATOM 465 OE2 GLU A 98 -9.446 9.425 14.781 1.00 29.58 O +ATOM 466 N LYS A 99 -9.427 16.172 14.418 1.00 25.26 N +ATOM 467 CA LYS A 99 -8.751 17.480 14.262 1.00 23.98 C +ATOM 468 C LYS A 99 -9.641 18.653 14.661 1.00 23.43 C +ATOM 469 O LYS A 99 -9.161 19.787 14.789 1.00 25.34 O +ATOM 470 CB LYS A 99 -8.254 17.700 12.821 1.00 24.19 C +ATOM 471 CG LYS A 99 -7.563 16.507 12.170 1.00 24.95 C +ATOM 472 CD LYS A 99 -6.124 16.336 12.623 1.00 27.02 C +ATOM 473 CE LYS A 99 -5.415 15.309 11.750 1.00 27.02 C +ATOM 474 NZ LYS A 99 -3.951 15.209 12.024 1.00 27.58 N +ATOM 475 N GLY A 100 -10.934 18.390 14.823 1.00 22.48 N +ATOM 476 CA GLY A 100 -11.872 19.401 15.296 1.00 24.06 C +ATOM 477 C GLY A 100 -12.917 19.910 14.320 1.00 25.05 C +ATOM 478 O GLY A 100 -13.394 21.031 14.454 1.00 26.19 O +ATOM 479 N CYS A 101 -13.300 19.085 13.356 1.00 26.05 N +ATOM 480 CA CYS A 101 -14.235 19.517 12.318 1.00 25.20 C +ATOM 481 C CYS A 101 -15.671 19.161 12.709 1.00 23.34 C +ATOM 482 O CYS A 101 -15.948 18.046 13.171 1.00 23.20 O +ATOM 483 CB CYS A 101 -13.829 18.911 10.951 1.00 25.25 C +ATOM 484 SG CYS A 101 -14.600 19.570 9.389 1.00 28.97 S +ATOM 485 N THR A 102 -16.570 20.123 12.522 1.00 22.11 N +ATOM 486 CA THR A 102 -17.988 19.929 12.753 1.00 21.61 C +ATOM 487 C THR A 102 -18.627 19.619 11.440 1.00 21.05 C +ATOM 488 O THR A 102 -17.993 19.732 10.398 1.00 22.72 O +ATOM 489 CB THR A 102 -18.640 21.210 13.214 1.00 22.39 C +ATOM 490 OG1 THR A 102 -17.640 22.114 13.708 1.00 21.18 O +ATOM 491 CG2 THR A 102 -19.729 20.902 14.286 1.00 26.24 C +ATOM 492 N VAL A 103 -19.894 19.245 11.479 1.00 20.79 N +ATOM 493 CA VAL A 103 -20.679 19.113 10.261 1.00 20.89 C +ATOM 494 C VAL A 103 -20.921 20.463 9.552 1.00 21.45 C +ATOM 495 O VAL A 103 -21.233 20.501 8.362 1.00 24.46 O +ATOM 496 CB VAL A 103 -22.004 18.382 10.532 1.00 20.29 C +ATOM 497 CG1 VAL A 103 -22.887 18.362 9.290 1.00 18.41 C +ATOM 498 CG2 VAL A 103 -21.717 16.974 11.002 1.00 20.65 C +ATOM 499 N THR A 104 -20.762 21.571 10.258 1.00 20.61 N +ATOM 500 CA THR A 104 -20.904 22.851 9.583 1.00 20.90 C +ATOM 501 C THR A 104 -19.612 23.304 8.948 1.00 21.04 C +ATOM 502 O THR A 104 -19.654 24.061 7.996 1.00 23.64 O +ATOM 503 CB THR A 104 -21.479 24.001 10.459 1.00 20.26 C +ATOM 504 OG1 THR A 104 -21.129 23.807 11.840 1.00 22.19 O +ATOM 505 CG2 THR A 104 -22.981 24.077 10.293 1.00 18.96 C +ATOM 506 N GLU A 105 -18.468 22.883 9.473 1.00 20.74 N +ATOM 507 CA GLU A 105 -17.219 23.245 8.834 1.00 21.44 C +ATOM 508 C GLU A 105 -17.067 22.426 7.569 1.00 22.65 C +ATOM 509 O GLU A 105 -16.556 22.936 6.569 1.00 23.83 O +ATOM 510 CB GLU A 105 -16.039 23.083 9.776 1.00 20.85 C +ATOM 511 CG GLU A 105 -16.015 24.166 10.857 1.00 25.82 C +ATOM 512 CD GLU A 105 -15.028 23.885 11.989 1.00 31.10 C +ATOM 513 OE1 GLU A 105 -13.917 23.379 11.706 1.00 33.99 O +ATOM 514 OE2 GLU A 105 -15.355 24.178 13.165 1.00 30.67 O +ATOM 515 N LEU A 106 -17.563 21.183 7.614 1.00 23.23 N +ATOM 516 CA LEU A 106 -17.556 20.244 6.483 1.00 22.65 C +ATOM 517 C LEU A 106 -18.318 20.825 5.298 1.00 24.50 C +ATOM 518 O LEU A 106 -17.844 20.757 4.148 1.00 24.43 O +ATOM 519 CB LEU A 106 -18.161 18.883 6.893 1.00 23.08 C +ATOM 520 CG LEU A 106 -18.268 17.739 5.858 1.00 22.74 C +ATOM 521 CD1 LEU A 106 -16.958 17.437 5.166 1.00 18.53 C +ATOM 522 CD2 LEU A 106 -18.834 16.469 6.477 1.00 19.92 C +ATOM 523 N SER A 107 -19.486 21.412 5.578 1.00 24.42 N +ATOM 524 CA SER A 107 -20.278 22.036 4.527 1.00 24.74 C +ATOM 525 C SER A 107 -19.566 23.243 3.943 1.00 25.71 C +ATOM 526 O SER A 107 -19.522 23.393 2.724 1.00 26.94 O +ATOM 527 CB SER A 107 -21.663 22.392 5.027 1.00 24.97 C +ATOM 528 OG SER A 107 -22.381 21.197 5.256 1.00 26.51 O +ATOM 529 N ASP A 108 -18.987 24.081 4.803 1.00 25.50 N +ATOM 530 CA ASP A 108 -18.060 25.134 4.367 1.00 26.51 C +ATOM 531 C ASP A 108 -17.029 24.661 3.342 1.00 26.43 C +ATOM 532 O ASP A 108 -16.725 25.389 2.390 1.00 27.11 O +ATOM 533 CB ASP A 108 -17.302 25.718 5.556 1.00 26.78 C +ATOM 534 CG ASP A 108 -18.110 26.718 6.316 1.00 28.37 C +ATOM 535 OD1 ASP A 108 -19.355 26.686 6.194 1.00 30.25 O +ATOM 536 OD2 ASP A 108 -17.501 27.533 7.044 1.00 30.56 O +ATOM 537 N PHE A 109 -16.482 23.466 3.569 1.00 25.14 N +ATOM 538 CA PHE A 109 -15.464 22.873 2.706 1.00 24.31 C +ATOM 539 C PHE A 109 -16.031 22.351 1.395 1.00 23.68 C +ATOM 540 O PHE A 109 -15.500 22.635 0.355 1.00 22.65 O +ATOM 541 CB PHE A 109 -14.733 21.755 3.444 1.00 23.52 C +ATOM 542 CG PHE A 109 -13.842 22.246 4.545 1.00 24.19 C +ATOM 543 CD1 PHE A 109 -12.906 23.257 4.302 1.00 26.21 C +ATOM 544 CD2 PHE A 109 -13.912 21.692 5.818 1.00 22.80 C +ATOM 545 CE1 PHE A 109 -12.056 23.721 5.316 1.00 24.88 C +ATOM 546 CE2 PHE A 109 -13.072 22.144 6.835 1.00 21.94 C +ATOM 547 CZ PHE A 109 -12.141 23.163 6.585 1.00 23.09 C +ATOM 548 N LEU A 110 -17.125 21.601 1.459 1.00 24.86 N +ATOM 549 CA LEU A 110 -17.784 21.065 0.269 1.00 23.07 C +ATOM 550 C LEU A 110 -18.352 22.136 -0.655 1.00 23.88 C +ATOM 551 O LEU A 110 -18.412 21.941 -1.878 1.00 24.59 O +ATOM 552 CB LEU A 110 -18.884 20.094 0.691 1.00 22.14 C +ATOM 553 CG LEU A 110 -18.360 18.858 1.440 1.00 18.98 C +ATOM 554 CD1 LEU A 110 -19.522 18.082 1.960 1.00 16.56 C +ATOM 555 CD2 LEU A 110 -17.460 17.967 0.566 1.00 15.60 C +ATOM 556 N GLN A 111 -18.770 23.254 -0.059 1.00 24.87 N +ATOM 557 CA GLN A 111 -19.260 24.448 -0.776 1.00 25.13 C +ATOM 558 C GLN A 111 -18.119 25.100 -1.539 1.00 24.91 C +ATOM 559 O GLN A 111 -18.230 25.371 -2.739 1.00 26.16 O +ATOM 560 CB GLN A 111 -19.799 25.471 0.220 1.00 24.83 C +ATOM 561 CG GLN A 111 -20.827 26.417 -0.334 1.00 28.55 C +ATOM 562 CD GLN A 111 -22.248 25.933 -0.091 1.00 33.73 C +ATOM 563 OE1 GLN A 111 -22.632 25.576 1.041 1.00 35.42 O +ATOM 564 NE2 GLN A 111 -23.048 25.930 -1.153 1.00 34.82 N +ATOM 565 N ALA A 112 -17.038 25.368 -0.810 1.00 23.09 N +ATOM 566 CA ALA A 112 -15.799 25.846 -1.375 1.00 22.21 C +ATOM 567 C ALA A 112 -15.311 24.901 -2.473 1.00 22.35 C +ATOM 568 O ALA A 112 -14.810 25.361 -3.480 1.00 22.04 O +ATOM 569 CB ALA A 112 -14.740 26.003 -0.283 1.00 21.32 C +ATOM 570 N MET A 113 -15.471 23.589 -2.289 1.00 22.82 N +ATOM 571 CA MET A 113 -14.999 22.601 -3.268 1.00 23.53 C +ATOM 572 C MET A 113 -15.752 22.815 -4.583 1.00 26.51 C +ATOM 573 O MET A 113 -15.142 23.014 -5.649 1.00 26.78 O +ATOM 574 CB MET A 113 -15.227 21.186 -2.759 1.00 22.31 C +ATOM 575 CG MET A 113 -14.410 20.100 -3.460 1.00 24.09 C +ATOM 576 SD MET A 113 -14.359 18.517 -2.545 1.00 22.23 S +ATOM 577 CE MET A 113 -14.427 19.147 -0.869 1.00 24.64 C +ATOM 578 N GLU A 114 -17.082 22.815 -4.476 1.00 27.58 N +ATOM 579 CA GLU A 114 -17.978 23.184 -5.569 1.00 27.29 C +ATOM 580 C GLU A 114 -17.615 24.535 -6.211 1.00 25.88 C +ATOM 581 O GLU A 114 -17.486 24.625 -7.422 1.00 26.93 O +ATOM 582 CB GLU A 114 -19.421 23.193 -5.071 1.00 26.33 C +ATOM 583 CG GLU A 114 -20.023 21.812 -4.875 1.00 29.11 C +ATOM 584 CD GLU A 114 -21.552 21.837 -4.767 1.00 32.96 C +ATOM 585 OE1 GLU A 114 -22.195 22.742 -5.359 1.00 34.78 O +ATOM 586 OE2 GLU A 114 -22.118 20.937 -4.100 1.00 36.88 O +ATOM 587 N HIS A 115 -17.408 25.561 -5.397 1.00 25.25 N +ATOM 588 CA HIS A 115 -17.147 26.904 -5.907 1.00 26.59 C +ATOM 589 C HIS A 115 -15.756 27.120 -6.508 1.00 26.21 C +ATOM 590 O HIS A 115 -15.581 27.990 -7.347 1.00 28.34 O +ATOM 591 CB HIS A 115 -17.445 27.958 -4.838 1.00 26.31 C +ATOM 592 CG HIS A 115 -18.906 28.121 -4.548 1.00 29.19 C +ATOM 593 ND1 HIS A 115 -19.399 29.131 -3.747 1.00 30.49 N +ATOM 594 CD2 HIS A 115 -19.982 27.411 -4.962 1.00 30.23 C +ATOM 595 CE1 HIS A 115 -20.714 29.026 -3.669 1.00 29.65 C +ATOM 596 NE2 HIS A 115 -21.093 27.994 -4.402 1.00 31.01 N +ATOM 597 N THR A 116 -14.767 26.339 -6.103 1.00 25.78 N +ATOM 598 CA THR A 116 -13.452 26.444 -6.741 1.00 25.05 C +ATOM 599 C THR A 116 -13.307 25.544 -7.973 1.00 24.74 C +ATOM 600 O THR A 116 -12.394 25.765 -8.782 1.00 25.18 O +ATOM 601 CB THR A 116 -12.310 26.102 -5.796 1.00 24.66 C +ATOM 602 OG1 THR A 116 -12.570 24.812 -5.216 1.00 30.40 O +ATOM 603 CG2 THR A 116 -12.093 27.212 -4.708 1.00 23.22 C +ATOM 604 N GLU A 117 -14.172 24.531 -8.104 1.00 23.98 N +ATOM 605 CA GLU A 117 -14.158 23.660 -9.289 1.00 24.80 C +ATOM 606 C GLU A 117 -14.535 24.452 -10.547 1.00 24.41 C +ATOM 607 O GLU A 117 -13.863 24.331 -11.572 1.00 25.12 O +ATOM 608 CB GLU A 117 -15.065 22.434 -9.134 1.00 23.76 C +ATOM 609 CG GLU A 117 -15.062 21.518 -10.370 1.00 25.57 C +ATOM 610 CD GLU A 117 -15.985 20.281 -10.266 1.00 28.71 C +ATOM 611 OE1 GLU A 117 -16.878 20.268 -9.379 1.00 30.71 O +ATOM 612 OE2 GLU A 117 -15.820 19.325 -11.092 1.00 31.85 O +ATOM 613 N VAL A 118 -15.603 25.245 -10.457 1.00 22.17 N +ATOM 614 CA VAL A 118 -15.970 26.167 -11.519 1.00 21.38 C +ATOM 615 C VAL A 118 -14.938 27.247 -11.706 1.00 22.07 C +ATOM 616 O VAL A 118 -14.452 27.411 -12.803 1.00 24.70 O +ATOM 617 CB VAL A 118 -17.337 26.827 -11.324 1.00 20.04 C +ATOM 618 CG1 VAL A 118 -18.400 25.958 -11.913 1.00 18.40 C +ATOM 619 CG2 VAL A 118 -17.602 27.137 -9.835 1.00 20.78 C +ATOM 620 N LEU A 119 -14.595 27.989 -10.659 1.00 23.20 N +ATOM 621 CA LEU A 119 -13.562 29.010 -10.798 1.00 24.40 C +ATOM 622 C LEU A 119 -12.358 28.455 -11.557 1.00 25.84 C +ATOM 623 O LEU A 119 -11.795 29.140 -12.419 1.00 27.66 O +ATOM 624 CB LEU A 119 -13.133 29.605 -9.449 1.00 23.93 C +ATOM 625 CG LEU A 119 -13.777 30.907 -8.948 1.00 23.59 C +ATOM 626 CD1 LEU A 119 -14.302 31.810 -10.082 1.00 20.03 C +ATOM 627 CD2 LEU A 119 -14.888 30.629 -7.963 1.00 24.31 C +ATOM 628 N GLN A 120 -11.990 27.209 -11.262 1.00 26.66 N +ATOM 629 CA GLN A 120 -10.898 26.528 -11.968 1.00 27.47 C +ATOM 630 C GLN A 120 -11.242 26.322 -13.448 1.00 26.70 C +ATOM 631 O GLN A 120 -10.493 26.742 -14.328 1.00 27.16 O +ATOM 632 CB GLN A 120 -10.549 25.207 -11.266 1.00 27.57 C +ATOM 633 CG GLN A 120 -9.747 24.187 -12.078 1.00 30.99 C +ATOM 634 CD GLN A 120 -10.526 22.894 -12.363 1.00 35.18 C +ATOM 635 OE1 GLN A 120 -10.944 22.171 -11.441 1.00 36.55 O +ATOM 636 NE2 GLN A 120 -10.707 22.592 -13.644 1.00 35.02 N +ATOM 637 N LEU A 121 -12.395 25.709 -13.699 1.00 26.64 N +ATOM 638 CA LEU A 121 -12.844 25.340 -15.038 1.00 27.31 C +ATOM 639 C LEU A 121 -12.942 26.505 -16.022 1.00 28.74 C +ATOM 640 O LEU A 121 -12.720 26.327 -17.211 1.00 29.37 O +ATOM 641 CB LEU A 121 -14.181 24.607 -14.949 1.00 27.25 C +ATOM 642 CG LEU A 121 -14.008 23.118 -14.669 1.00 27.15 C +ATOM 643 CD1 LEU A 121 -15.263 22.534 -14.063 1.00 27.32 C +ATOM 644 CD2 LEU A 121 -13.625 22.394 -15.955 1.00 27.06 C +ATOM 645 N LEU A 122 -13.266 27.691 -15.513 1.00 29.20 N +ATOM 646 CA LEU A 122 -13.290 28.918 -16.297 1.00 29.53 C +ATOM 647 C LEU A 122 -12.009 29.749 -16.175 1.00 30.29 C +ATOM 648 O LEU A 122 -12.030 30.952 -16.438 1.00 30.85 O +ATOM 649 CB LEU A 122 -14.454 29.796 -15.852 1.00 29.92 C +ATOM 650 CG LEU A 122 -15.840 29.180 -15.857 1.00 32.69 C +ATOM 651 CD1 LEU A 122 -16.792 30.079 -15.073 1.00 30.08 C +ATOM 652 CD2 LEU A 122 -16.284 28.981 -17.297 1.00 35.17 C +ATOM 653 N SER A 123 -10.901 29.145 -15.766 1.00 30.57 N +ATOM 654 CA SER A 123 -9.671 29.924 -15.670 1.00 31.48 C +ATOM 655 C SER A 123 -8.704 29.675 -16.826 1.00 31.13 C +ATOM 656 O SER A 123 -8.528 28.534 -17.258 1.00 29.97 O +ATOM 657 CB SER A 123 -8.997 29.764 -14.304 1.00 32.16 C +ATOM 658 OG SER A 123 -9.378 30.839 -13.461 1.00 32.71 O +ATOM 659 N PRO A 124 -8.110 30.762 -17.352 1.00 31.52 N +ATOM 660 CA PRO A 124 -7.157 30.689 -18.452 1.00 30.94 C +ATOM 661 C PRO A 124 -5.766 30.334 -17.943 1.00 30.25 C +ATOM 662 O PRO A 124 -5.478 29.158 -17.730 1.00 29.11 O +ATOM 663 CB PRO A 124 -7.180 32.114 -19.033 1.00 30.87 C +ATOM 664 CG PRO A 124 -8.260 32.874 -18.252 1.00 31.05 C +ATOM 665 CD PRO A 124 -8.348 32.159 -16.949 1.00 31.79 C Added: SwiftApps/modFTdock/input/2g7r-2.pdb =================================================================== --- SwiftApps/modFTdock/input/2g7r-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/2g7r-2.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,665 @@ +ATOM 1 N THR B 29 -28.520 26.899 -6.787 1.00 20.35 N +ATOM 2 CA THR B 29 -29.018 27.405 -8.094 1.00 22.52 C +ATOM 3 C THR B 29 -28.317 28.699 -8.515 1.00 24.96 C +ATOM 4 O THR B 29 -28.187 29.645 -7.712 1.00 24.46 O +ATOM 5 CB THR B 29 -30.569 27.534 -8.168 1.00 22.55 C +ATOM 6 OG1 THR B 29 -31.130 26.326 -8.696 1.00 21.31 O +ATOM 7 CG2 THR B 29 -31.002 28.649 -9.102 1.00 22.29 C +ATOM 8 N LEU B 30 -27.884 28.705 -9.787 1.00 24.14 N +ATOM 9 CA LEU B 30 -27.081 29.768 -10.405 1.00 24.57 C +ATOM 10 C LEU B 30 -27.522 31.225 -10.170 1.00 24.80 C +ATOM 11 O LEU B 30 -26.696 32.065 -9.858 1.00 26.49 O +ATOM 12 CB LEU B 30 -26.924 29.490 -11.914 1.00 24.79 C +ATOM 13 CG LEU B 30 -25.649 28.828 -12.459 1.00 22.40 C +ATOM 14 CD1 LEU B 30 -24.964 27.876 -11.475 1.00 23.61 C +ATOM 15 CD2 LEU B 30 -25.985 28.120 -13.724 1.00 20.25 C +ATOM 16 N ASN B 31 -28.803 31.532 -10.325 1.00 24.09 N +ATOM 17 CA ASN B 31 -29.276 32.908 -10.133 1.00 24.22 C +ATOM 18 C ASN B 31 -29.402 33.298 -8.639 1.00 24.81 C +ATOM 19 O ASN B 31 -29.768 34.446 -8.313 1.00 23.49 O +ATOM 20 CB ASN B 31 -30.618 33.102 -10.848 1.00 23.06 C +ATOM 21 CG ASN B 31 -31.658 32.071 -10.418 1.00 21.99 C +ATOM 22 OD1 ASN B 31 -31.327 30.911 -10.174 1.00 20.20 O +ATOM 23 ND2 ASN B 31 -32.916 32.491 -10.321 1.00 21.34 N +ATOM 24 N ARG B 32 -29.103 32.333 -7.755 1.00 24.19 N +ATOM 25 CA ARG B 32 -29.193 32.505 -6.297 1.00 22.72 C +ATOM 26 C ARG B 32 -27.846 32.524 -5.579 1.00 23.03 C +ATOM 27 O ARG B 32 -27.837 32.515 -4.353 1.00 25.41 O +ATOM 28 CB ARG B 32 -30.054 31.406 -5.640 1.00 21.93 C +ATOM 29 CG ARG B 32 -31.544 31.415 -5.977 1.00 22.93 C +ATOM 30 CD ARG B 32 -32.273 32.658 -5.467 1.00 22.51 C +ATOM 31 NE ARG B 32 -33.666 32.670 -5.926 1.00 26.94 N +ATOM 32 CZ ARG B 32 -34.370 33.769 -6.208 1.00 26.70 C +ATOM 33 NH1 ARG B 32 -33.813 34.978 -6.095 1.00 24.87 N +ATOM 34 NH2 ARG B 32 -35.634 33.659 -6.621 1.00 22.87 N +ATOM 35 N LEU B 33 -26.721 32.518 -6.295 1.00 21.87 N +ATOM 36 CA LEU B 33 -25.428 32.748 -5.639 1.00 22.53 C +ATOM 37 C LEU B 33 -25.230 34.253 -5.425 1.00 23.20 C +ATOM 38 O LEU B 33 -25.874 35.047 -6.086 1.00 25.41 O +ATOM 39 CB LEU B 33 -24.283 32.210 -6.487 1.00 23.06 C +ATOM 40 CG LEU B 33 -24.436 30.893 -7.231 1.00 24.44 C +ATOM 41 CD1 LEU B 33 -23.424 30.829 -8.386 1.00 22.27 C +ATOM 42 CD2 LEU B 33 -24.297 29.719 -6.272 1.00 21.65 C +ATOM 43 N ARG B 34 -24.333 34.663 -4.535 1.00 25.17 N +ATOM 44 CA ARG B 34 -24.168 36.094 -4.274 1.00 26.09 C +ATOM 45 C ARG B 34 -23.484 36.771 -5.455 1.00 26.81 C +ATOM 46 O ARG B 34 -22.711 36.134 -6.169 1.00 25.09 O +ATOM 47 CB ARG B 34 -23.375 36.338 -3.001 1.00 26.11 C +ATOM 48 CG ARG B 34 -23.619 35.327 -1.889 1.00 29.96 C +ATOM 49 CD ARG B 34 -22.275 34.880 -1.302 1.00 36.56 C +ATOM 50 NE ARG B 34 -21.242 34.800 -2.354 1.00 40.78 N +ATOM 51 CZ ARG B 34 -20.095 35.492 -2.371 1.00 40.30 C +ATOM 52 NH1 ARG B 34 -19.785 36.322 -1.371 1.00 38.59 N +ATOM 53 NH2 ARG B 34 -19.248 35.350 -3.392 1.00 38.07 N +ATOM 54 N GLU B 35 -23.771 38.068 -5.633 1.00 29.15 N +ATOM 55 CA GLU B 35 -23.316 38.872 -6.796 1.00 29.38 C +ATOM 56 C GLU B 35 -21.842 38.777 -7.129 1.00 29.29 C +ATOM 57 O GLU B 35 -21.491 38.656 -8.300 1.00 29.66 O +ATOM 58 CB GLU B 35 -23.755 40.335 -6.685 1.00 28.87 C +ATOM 59 CG GLU B 35 -25.062 40.551 -7.388 1.00 33.80 C +ATOM 60 CD GLU B 35 -25.752 39.220 -7.711 1.00 38.79 C +ATOM 61 OE1 GLU B 35 -26.289 38.584 -6.770 1.00 38.31 O +ATOM 62 OE2 GLU B 35 -25.732 38.801 -8.901 1.00 41.77 O +ATOM 63 N PRO B 36 -20.974 38.871 -6.108 1.00 29.23 N +ATOM 64 CA PRO B 36 -19.557 38.648 -6.359 1.00 28.85 C +ATOM 65 C PRO B 36 -19.287 37.329 -7.097 1.00 29.13 C +ATOM 66 O PRO B 36 -18.426 37.291 -7.967 1.00 30.26 O +ATOM 67 CB PRO B 36 -18.971 38.615 -4.943 1.00 28.75 C +ATOM 68 CG PRO B 36 -19.857 39.527 -4.174 1.00 27.05 C +ATOM 69 CD PRO B 36 -21.226 39.229 -4.697 1.00 27.53 C +ATOM 70 N LEU B 37 -20.020 36.265 -6.771 1.00 28.52 N +ATOM 71 CA LEU B 37 -19.741 34.962 -7.371 1.00 27.72 C +ATOM 72 C LEU B 37 -20.226 34.946 -8.814 1.00 27.17 C +ATOM 73 O LEU B 37 -19.454 34.676 -9.728 1.00 29.29 O +ATOM 74 CB LEU B 37 -20.357 33.811 -6.560 1.00 26.14 C +ATOM 75 CG LEU B 37 -19.773 32.455 -6.964 1.00 26.46 C +ATOM 76 CD1 LEU B 37 -18.268 32.420 -6.717 1.00 25.46 C +ATOM 77 CD2 LEU B 37 -20.471 31.312 -6.250 1.00 24.15 C +ATOM 78 N LEU B 38 -21.500 35.262 -9.003 1.00 26.01 N +ATOM 79 CA LEU B 38 -22.095 35.318 -10.312 1.00 25.71 C +ATOM 80 C LEU B 38 -21.347 36.302 -11.225 1.00 27.67 C +ATOM 81 O LEU B 38 -20.910 35.929 -12.317 1.00 29.39 O +ATOM 82 CB LEU B 38 -23.573 35.676 -10.186 1.00 25.79 C +ATOM 83 CG LEU B 38 -24.463 34.952 -11.194 1.00 24.46 C +ATOM 84 CD1 LEU B 38 -24.285 35.553 -12.553 1.00 26.63 C +ATOM 85 CD2 LEU B 38 -24.107 33.488 -11.245 1.00 22.38 C +ATOM 86 N ARG B 39 -21.185 37.545 -10.766 1.00 27.48 N +ATOM 87 CA ARG B 39 -20.375 38.555 -11.448 1.00 25.75 C +ATOM 88 C ARG B 39 -19.004 37.995 -11.811 1.00 24.80 C +ATOM 89 O ARG B 39 -18.542 38.159 -12.932 1.00 25.39 O +ATOM 90 CB ARG B 39 -20.242 39.803 -10.561 1.00 25.89 C +ATOM 91 CG ARG B 39 -19.364 40.927 -11.100 1.00 28.36 C +ATOM 92 CD ARG B 39 -20.115 41.761 -12.136 1.00 32.63 C +ATOM 93 NE ARG B 39 -19.216 42.496 -13.035 1.00 32.92 N +ATOM 94 CZ ARG B 39 -18.777 42.047 -14.212 1.00 33.02 C +ATOM 95 NH1 ARG B 39 -19.139 40.850 -14.665 1.00 33.42 N +ATOM 96 NH2 ARG B 39 -17.962 42.799 -14.941 1.00 32.67 N +ATOM 97 N ARG B 40 -18.364 37.317 -10.870 1.00 23.82 N +ATOM 98 CA ARG B 40 -17.021 36.802 -11.100 1.00 24.52 C +ATOM 99 C ARG B 40 -17.043 35.729 -12.176 1.00 24.63 C +ATOM 100 O ARG B 40 -16.228 35.750 -13.102 1.00 25.45 O +ATOM 101 CB ARG B 40 -16.441 36.239 -9.808 1.00 24.22 C +ATOM 102 CG ARG B 40 -15.054 35.660 -9.924 1.00 26.76 C +ATOM 103 CD ARG B 40 -13.994 36.740 -9.917 1.00 31.10 C +ATOM 104 NE ARG B 40 -13.273 36.842 -11.191 1.00 34.20 N +ATOM 105 CZ ARG B 40 -12.053 36.342 -11.410 1.00 33.84 C +ATOM 106 NH1 ARG B 40 -11.409 35.686 -10.447 1.00 32.32 N +ATOM 107 NH2 ARG B 40 -11.473 36.492 -12.598 1.00 32.59 N +ATOM 108 N LEU B 41 -17.980 34.794 -12.038 1.00 23.35 N +ATOM 109 CA LEU B 41 -18.167 33.722 -13.003 1.00 23.37 C +ATOM 110 C LEU B 41 -18.494 34.222 -14.429 1.00 24.46 C +ATOM 111 O LEU B 41 -18.066 33.624 -15.417 1.00 22.91 O +ATOM 112 CB LEU B 41 -19.289 32.808 -12.512 1.00 22.72 C +ATOM 113 CG LEU B 41 -18.939 31.415 -11.975 1.00 23.14 C +ATOM 114 CD1 LEU B 41 -17.591 31.365 -11.222 1.00 16.53 C +ATOM 115 CD2 LEU B 41 -20.093 30.911 -11.108 1.00 22.92 C +ATOM 116 N SER B 42 -19.260 35.313 -14.529 1.00 23.82 N +ATOM 117 CA SER B 42 -19.731 35.775 -15.815 1.00 22.87 C +ATOM 118 C SER B 42 -18.609 36.387 -16.656 1.00 23.27 C +ATOM 119 O SER B 42 -18.476 36.066 -17.839 1.00 22.99 O +ATOM 120 CB SER B 42 -20.963 36.692 -15.681 1.00 22.95 C +ATOM 121 OG SER B 42 -20.780 37.755 -14.763 1.00 25.72 O +ATOM 122 N GLU B 43 -17.789 37.239 -16.043 1.00 23.24 N +ATOM 123 CA GLU B 43 -16.712 37.908 -16.768 1.00 22.43 C +ATOM 124 C GLU B 43 -15.606 36.956 -17.176 1.00 22.75 C +ATOM 125 O GLU B 43 -14.939 37.186 -18.181 1.00 23.82 O +ATOM 126 CB GLU B 43 -16.143 39.058 -15.959 1.00 21.77 C +ATOM 127 CG GLU B 43 -15.400 38.638 -14.734 1.00 25.40 C +ATOM 128 CD GLU B 43 -15.296 39.761 -13.725 1.00 32.45 C +ATOM 129 OE1 GLU B 43 -16.095 40.725 -13.820 1.00 32.75 O +ATOM 130 OE2 GLU B 43 -14.414 39.683 -12.833 1.00 33.84 O +ATOM 131 N LEU B 44 -15.403 35.899 -16.394 1.00 22.78 N +ATOM 132 CA LEU B 44 -14.461 34.858 -16.765 1.00 23.96 C +ATOM 133 C LEU B 44 -14.956 34.145 -18.014 1.00 24.91 C +ATOM 134 O LEU B 44 -14.168 33.854 -18.913 1.00 25.67 O +ATOM 135 CB LEU B 44 -14.262 33.854 -15.637 1.00 23.27 C +ATOM 136 CG LEU B 44 -13.243 34.180 -14.552 1.00 25.16 C +ATOM 137 CD1 LEU B 44 -13.394 33.147 -13.434 1.00 25.13 C +ATOM 138 CD2 LEU B 44 -11.799 34.236 -15.082 1.00 21.86 C +ATOM 139 N LEU B 45 -16.259 33.874 -18.061 1.00 25.16 N +ATOM 140 CA LEU B 45 -16.909 33.322 -19.254 1.00 26.36 C +ATOM 141 C LEU B 45 -16.905 34.307 -20.444 1.00 26.73 C +ATOM 142 O LEU B 45 -16.805 33.886 -21.601 1.00 27.54 O +ATOM 143 CB LEU B 45 -18.346 32.921 -18.929 1.00 25.77 C +ATOM 144 CG LEU B 45 -18.863 31.540 -19.304 1.00 26.47 C +ATOM 145 CD1 LEU B 45 -20.362 31.610 -19.515 1.00 24.59 C +ATOM 146 CD2 LEU B 45 -18.164 30.915 -20.521 1.00 27.39 C +ATOM 147 N ASP B 46 -17.025 35.606 -20.154 1.00 27.26 N +ATOM 148 CA ASP B 46 -16.869 36.674 -21.147 1.00 28.27 C +ATOM 149 C ASP B 46 -15.481 36.709 -21.781 1.00 30.46 C +ATOM 150 O ASP B 46 -15.097 37.707 -22.393 1.00 31.40 O +ATOM 151 N GLN B 47 -14.718 35.621 -21.628 1.00 31.46 N +ATOM 152 CA GLN B 47 -13.451 35.424 -22.363 1.00 32.06 C +ATOM 153 C GLN B 47 -13.133 33.930 -22.589 1.00 31.68 C +ATOM 154 O GLN B 47 -12.871 33.222 -21.630 1.00 32.54 O +ATOM 155 CB GLN B 47 -12.300 36.173 -21.678 1.00 30.85 C +ATOM 156 CG GLN B 47 -12.321 36.120 -20.148 1.00 33.67 C +ATOM 157 CD GLN B 47 -12.337 37.498 -19.503 1.00 33.89 C +ATOM 158 OE1 GLN B 47 -13.038 38.400 -19.972 1.00 36.07 O +ATOM 159 NE2 GLN B 47 -11.590 37.660 -18.407 1.00 30.47 N +ATOM 160 N ALA B 48 -13.168 33.465 -23.851 1.00 32.74 N +ATOM 161 CA ALA B 48 -13.119 32.017 -24.197 1.00 32.75 C +ATOM 162 C ALA B 48 -13.472 31.647 -25.657 1.00 31.93 C +ATOM 163 O ALA B 48 -12.849 32.145 -26.613 1.00 32.03 O +ATOM 164 CB ALA B 48 -14.035 31.212 -23.237 1.00 33.30 C +ATOM 165 N GLY B 53 -16.686 29.185 -24.283 1.00 7.70 N +ATOM 166 CA GLY B 53 -17.449 30.437 -24.342 1.00 11.75 C +ATOM 167 C GLY B 53 -18.919 30.294 -23.979 1.00 12.74 C +ATOM 168 O GLY B 53 -19.423 29.197 -23.785 1.00 14.39 O +ATOM 169 N TRP B 54 -19.641 31.397 -23.906 1.00 14.82 N +ATOM 170 CA TRP B 54 -21.028 31.272 -23.467 1.00 17.07 C +ATOM 171 C TRP B 54 -21.958 30.713 -24.541 1.00 17.68 C +ATOM 172 O TRP B 54 -23.025 30.185 -24.192 1.00 21.16 O +ATOM 173 CB TRP B 54 -21.578 32.578 -22.886 1.00 15.50 C +ATOM 174 CG TRP B 54 -21.705 33.624 -23.887 1.00 16.54 C +ATOM 175 CD1 TRP B 54 -20.760 34.534 -24.224 1.00 18.88 C +ATOM 176 CD2 TRP B 54 -22.850 33.901 -24.709 1.00 19.56 C +ATOM 177 NE1 TRP B 54 -21.240 35.375 -25.208 1.00 18.61 N +ATOM 178 CE2 TRP B 54 -22.517 35.001 -25.528 1.00 15.87 C +ATOM 179 CE3 TRP B 54 -24.124 33.327 -24.834 1.00 22.11 C +ATOM 180 CZ2 TRP B 54 -23.400 35.535 -26.454 1.00 14.15 C +ATOM 181 CZ3 TRP B 54 -25.004 33.862 -25.766 1.00 16.31 C +ATOM 182 CH2 TRP B 54 -24.634 34.953 -26.556 1.00 17.39 C +ATOM 183 N ARG B 55 -21.593 30.813 -25.823 1.00 14.28 N +ATOM 184 CA ARG B 55 -22.451 30.198 -26.848 1.00 13.96 C +ATOM 185 C ARG B 55 -22.245 28.698 -26.873 1.00 13.26 C +ATOM 186 O ARG B 55 -23.192 27.938 -27.088 1.00 14.00 O +ATOM 187 CB ARG B 55 -22.249 30.770 -28.241 1.00 11.76 C +ATOM 188 CG ARG B 55 -22.072 32.242 -28.273 1.00 14.39 C +ATOM 189 CD ARG B 55 -22.264 32.762 -29.674 1.00 17.56 C +ATOM 190 NE ARG B 55 -23.634 33.186 -29.962 1.00 17.68 N +ATOM 191 CZ ARG B 55 -23.973 34.441 -30.233 1.00 16.37 C +ATOM 192 NH1 ARG B 55 -23.042 35.386 -30.241 1.00 16.15 N +ATOM 193 NH2 ARG B 55 -25.235 34.756 -30.496 1.00 14.35 N +ATOM 194 N ARG B 56 -21.013 28.274 -26.636 1.00 12.38 N +ATOM 195 CA ARG B 56 -20.711 26.859 -26.629 1.00 13.78 C +ATOM 196 C ARG B 56 -21.407 26.251 -25.412 1.00 15.67 C +ATOM 197 O ARG B 56 -22.103 25.233 -25.531 1.00 14.80 O +ATOM 198 CB ARG B 56 -19.192 26.640 -26.643 1.00 12.56 C +ATOM 199 CG ARG B 56 -18.718 25.195 -26.752 1.00 14.31 C +ATOM 200 CD ARG B 56 -19.638 24.293 -27.572 1.00 14.67 C +ATOM 201 NE ARG B 56 -19.231 22.889 -27.500 1.00 16.90 N +ATOM 202 CZ ARG B 56 -20.039 21.840 -27.682 1.00 20.52 C +ATOM 203 NH1 ARG B 56 -21.333 22.010 -27.931 1.00 20.21 N +ATOM 204 NH2 ARG B 56 -19.552 20.601 -27.602 1.00 20.66 N +ATOM 205 N LEU B 57 -21.270 26.918 -24.260 1.00 17.91 N +ATOM 206 CA LEU B 57 -21.931 26.477 -23.036 1.00 18.82 C +ATOM 207 C LEU B 57 -23.407 26.336 -23.300 1.00 19.04 C +ATOM 208 O LEU B 57 -23.954 25.246 -23.146 1.00 19.48 O +ATOM 209 CB LEU B 57 -21.686 27.435 -21.856 1.00 20.26 C +ATOM 210 CG LEU B 57 -22.487 27.167 -20.569 1.00 18.95 C +ATOM 211 CD1 LEU B 57 -22.100 25.845 -19.934 1.00 18.27 C +ATOM 212 CD2 LEU B 57 -22.301 28.292 -19.590 1.00 18.36 C +ATOM 213 N ALA B 58 -24.028 27.445 -23.702 1.00 18.96 N +ATOM 214 CA ALA B 58 -25.453 27.508 -24.019 1.00 19.03 C +ATOM 215 C ALA B 58 -25.823 26.383 -24.967 1.00 20.35 C +ATOM 216 O ALA B 58 -26.879 25.775 -24.831 1.00 20.78 O +ATOM 217 CB ALA B 58 -25.781 28.834 -24.667 1.00 17.12 C +ATOM 218 N GLU B 59 -24.939 26.106 -25.929 1.00 21.32 N +ATOM 219 CA GLU B 59 -25.209 25.105 -26.953 1.00 20.58 C +ATOM 220 C GLU B 59 -25.186 23.702 -26.357 1.00 20.14 C +ATOM 221 O GLU B 59 -26.003 22.849 -26.715 1.00 18.21 O +ATOM 222 CB GLU B 59 -24.187 25.213 -28.073 1.00 20.36 C +ATOM 223 CG GLU B 59 -24.797 24.995 -29.425 1.00 22.95 C +ATOM 224 CD GLU B 59 -24.087 23.911 -30.199 1.00 27.22 C +ATOM 225 OE1 GLU B 59 -22.869 23.720 -29.974 1.00 29.40 O +ATOM 226 OE2 GLU B 59 -24.746 23.244 -31.032 1.00 28.31 O +ATOM 227 N LEU B 60 -24.249 23.504 -25.429 1.00 21.27 N +ATOM 228 CA LEU B 60 -23.983 22.223 -24.761 1.00 22.56 C +ATOM 229 C LEU B 60 -25.123 21.800 -23.829 1.00 22.83 C +ATOM 230 O LEU B 60 -25.452 20.621 -23.733 1.00 23.27 O +ATOM 231 CB LEU B 60 -22.668 22.334 -23.978 1.00 22.00 C +ATOM 232 CG LEU B 60 -21.828 21.114 -23.628 1.00 22.09 C +ATOM 233 CD1 LEU B 60 -22.526 20.187 -22.647 1.00 24.07 C +ATOM 234 CD2 LEU B 60 -21.430 20.361 -24.879 1.00 26.63 C +ATOM 235 N ALA B 61 -25.703 22.776 -23.144 1.00 23.70 N +ATOM 236 CA ALA B 61 -26.878 22.589 -22.310 1.00 24.91 C +ATOM 237 C ALA B 61 -28.167 22.867 -23.128 1.00 26.43 C +ATOM 238 O ALA B 61 -28.474 24.019 -23.447 1.00 27.28 O +ATOM 239 CB ALA B 61 -26.775 23.517 -21.134 1.00 22.93 C +ATOM 240 N GLY B 62 -28.906 21.826 -23.506 1.00 27.36 N +ATOM 241 CA GLY B 62 -30.108 22.020 -24.341 1.00 27.36 C +ATOM 242 C GLY B 62 -30.029 21.375 -25.708 1.00 27.23 C +ATOM 243 O GLY B 62 -29.958 20.146 -25.819 1.00 28.52 O +ATOM 244 N LEU B 69 -33.761 25.534 -23.448 1.00 23.73 N +ATOM 245 CA LEU B 69 -32.968 26.722 -23.848 1.00 26.76 C +ATOM 246 C LEU B 69 -32.829 26.883 -25.379 1.00 25.68 C +ATOM 247 O LEU B 69 -32.389 25.960 -26.042 1.00 26.80 O +ATOM 248 CB LEU B 69 -31.562 26.649 -23.227 1.00 27.32 C +ATOM 249 CG LEU B 69 -30.777 27.930 -22.902 1.00 27.19 C +ATOM 250 CD1 LEU B 69 -31.314 28.585 -21.636 1.00 29.11 C +ATOM 251 CD2 LEU B 69 -29.324 27.586 -22.680 1.00 24.67 C +ATOM 252 N SER B 70 -33.184 28.043 -25.936 1.00 24.82 N +ATOM 253 CA SER B 70 -33.274 28.188 -27.393 1.00 23.79 C +ATOM 254 C SER B 70 -32.594 29.443 -27.909 1.00 24.09 C +ATOM 255 O SER B 70 -32.274 30.344 -27.131 1.00 24.58 O +ATOM 256 CB SER B 70 -34.737 28.241 -27.812 1.00 23.60 C +ATOM 257 OG SER B 70 -35.300 29.495 -27.453 1.00 26.43 O +ATOM 258 N CYS B 71 -32.397 29.484 -29.230 1.00 24.00 N +ATOM 259 CA CYS B 71 -31.986 30.675 -29.991 1.00 22.72 C +ATOM 260 C CYS B 71 -32.557 31.971 -29.467 1.00 22.34 C +ATOM 261 O CYS B 71 -31.809 32.853 -29.066 1.00 22.44 O +ATOM 262 CB CYS B 71 -32.427 30.541 -31.445 1.00 23.95 C +ATOM 263 SG CYS B 71 -31.241 29.736 -32.492 1.00 26.33 S +ATOM 264 N LEU B 72 -33.881 32.099 -29.478 1.00 23.20 N +ATOM 265 CA LEU B 72 -34.499 33.338 -29.001 1.00 25.24 C +ATOM 266 C LEU B 72 -34.214 33.611 -27.523 1.00 26.13 C +ATOM 267 O LEU B 72 -34.018 34.765 -27.139 1.00 28.06 O +ATOM 268 CB LEU B 72 -35.992 33.476 -29.366 1.00 24.73 C +ATOM 269 CG LEU B 72 -37.017 32.335 -29.372 1.00 26.29 C +ATOM 270 CD1 LEU B 72 -38.410 32.914 -29.639 1.00 25.17 C +ATOM 271 CD2 LEU B 72 -36.698 31.224 -30.394 1.00 25.95 C +ATOM 272 N ASP B 73 -34.136 32.559 -26.709 1.00 26.36 N +ATOM 273 CA ASP B 73 -33.699 32.722 -25.317 1.00 27.62 C +ATOM 274 C ASP B 73 -32.290 33.343 -25.303 1.00 27.05 C +ATOM 275 O ASP B 73 -32.038 34.312 -24.595 1.00 26.66 O +ATOM 276 CB ASP B 73 -33.767 31.389 -24.527 1.00 27.87 C +ATOM 277 CG ASP B 73 -35.174 30.730 -24.556 1.00 29.68 C +ATOM 278 OD1 ASP B 73 -35.259 29.485 -24.421 1.00 34.42 O +ATOM 279 OD2 ASP B 73 -36.198 31.439 -24.696 1.00 28.11 O +ATOM 280 N LEU B 74 -31.401 32.818 -26.146 1.00 27.52 N +ATOM 281 CA LEU B 74 -30.028 33.336 -26.268 1.00 27.15 C +ATOM 282 C LEU B 74 -29.910 34.769 -26.820 1.00 27.55 C +ATOM 283 O LEU B 74 -28.913 35.449 -26.577 1.00 28.66 O +ATOM 284 CB LEU B 74 -29.159 32.400 -27.110 1.00 25.83 C +ATOM 285 CG LEU B 74 -29.084 30.898 -26.773 1.00 25.65 C +ATOM 286 CD1 LEU B 74 -27.877 30.236 -27.462 1.00 21.14 C +ATOM 287 CD2 LEU B 74 -29.066 30.644 -25.263 1.00 21.79 C +ATOM 288 N GLU B 75 -30.899 35.248 -27.559 1.00 25.93 N +ATOM 289 CA GLU B 75 -30.753 36.590 -28.067 1.00 26.23 C +ATOM 290 C GLU B 75 -30.809 37.627 -26.956 1.00 26.35 C +ATOM 291 O GLU B 75 -29.988 38.540 -26.935 1.00 27.33 O +ATOM 292 CB GLU B 75 -31.730 36.882 -29.194 1.00 26.84 C +ATOM 293 CG GLU B 75 -31.108 36.515 -30.521 1.00 29.16 C +ATOM 294 CD GLU B 75 -32.093 36.443 -31.672 1.00 33.20 C +ATOM 295 OE1 GLU B 75 -33.247 36.906 -31.520 1.00 33.77 O +ATOM 296 OE2 GLU B 75 -31.708 35.908 -32.739 1.00 33.46 O +ATOM 297 N GLN B 76 -31.746 37.470 -26.020 1.00 25.04 N +ATOM 298 CA GLN B 76 -31.797 38.326 -24.833 1.00 23.13 C +ATOM 299 C GLN B 76 -30.394 38.550 -24.268 1.00 22.17 C +ATOM 300 O GLN B 76 -30.086 39.628 -23.753 1.00 22.86 O +ATOM 301 CB GLN B 76 -32.662 37.676 -23.752 1.00 23.93 C +ATOM 302 CG GLN B 76 -34.080 37.324 -24.187 1.00 25.83 C +ATOM 303 CD GLN B 76 -35.064 38.490 -24.071 1.00 26.27 C +ATOM 304 OE1 GLN B 76 -34.670 39.658 -24.020 1.00 25.92 O +ATOM 305 NE2 GLN B 76 -36.356 38.167 -24.033 1.00 25.58 N +ATOM 306 N CYS B 77 -29.561 37.515 -24.378 1.00 19.80 N +ATOM 307 CA CYS B 77 -28.236 37.479 -23.789 1.00 20.37 C +ATOM 308 C CYS B 77 -27.205 38.133 -24.665 1.00 20.09 C +ATOM 309 O CYS B 77 -26.292 38.792 -24.187 1.00 20.85 O +ATOM 310 CB CYS B 77 -27.819 36.033 -23.525 1.00 19.30 C +ATOM 311 SG CYS B 77 -28.725 35.280 -22.149 1.00 30.63 S +ATOM 312 N SER B 78 -27.352 37.908 -25.957 1.00 19.42 N +ATOM 313 CA SER B 78 -26.420 38.358 -26.958 1.00 17.85 C +ATOM 314 C SER B 78 -26.442 39.876 -27.027 1.00 17.70 C +ATOM 315 O SER B 78 -25.401 40.523 -27.108 1.00 17.39 O +ATOM 316 CB SER B 78 -26.885 37.756 -28.270 1.00 18.30 C +ATOM 317 OG SER B 78 -26.212 38.310 -29.366 1.00 25.38 O +ATOM 318 N LEU B 79 -27.649 40.433 -26.970 1.00 17.86 N +ATOM 319 CA LEU B 79 -27.865 41.858 -27.034 1.00 19.03 C +ATOM 320 C LEU B 79 -27.401 42.625 -25.782 1.00 22.10 C +ATOM 321 O LEU B 79 -27.546 43.866 -25.716 1.00 24.00 O +ATOM 322 CB LEU B 79 -29.323 42.136 -27.363 1.00 16.29 C +ATOM 323 CG LEU B 79 -29.522 41.782 -28.846 1.00 19.93 C +ATOM 324 CD1 LEU B 79 -30.725 40.877 -29.084 1.00 22.02 C +ATOM 325 CD2 LEU B 79 -29.567 43.005 -29.771 1.00 13.76 C +ATOM 326 N LYS B 80 -26.826 41.904 -24.814 1.00 22.14 N +ATOM 327 CA LYS B 80 -26.356 42.519 -23.578 1.00 23.58 C +ATOM 328 C LYS B 80 -25.121 43.357 -23.854 1.00 24.41 C +ATOM 329 O LYS B 80 -24.872 44.359 -23.190 1.00 26.21 O +ATOM 330 CB LYS B 80 -26.084 41.464 -22.489 1.00 23.03 C +ATOM 331 CG LYS B 80 -27.360 40.935 -21.803 1.00 25.09 C +ATOM 332 CD LYS B 80 -27.978 42.010 -20.884 1.00 26.48 C +ATOM 333 CE LYS B 80 -29.488 42.100 -21.020 1.00 27.63 C +ATOM 334 NZ LYS B 80 -30.206 41.115 -20.188 1.00 28.48 N +ATOM 335 N VAL B 81 -24.374 42.955 -24.870 1.00 25.47 N +ATOM 336 CA VAL B 81 -23.102 43.571 -25.227 1.00 24.71 C +ATOM 337 C VAL B 81 -23.274 45.036 -25.671 1.00 24.28 C +ATOM 338 O VAL B 81 -22.340 45.828 -25.620 1.00 24.65 O +ATOM 339 CB VAL B 81 -22.403 42.692 -26.308 1.00 24.53 C +ATOM 340 CG1 VAL B 81 -23.132 42.764 -27.622 1.00 24.06 C +ATOM 341 CG2 VAL B 81 -20.957 43.067 -26.478 1.00 29.06 C +ATOM 342 N LEU B 82 -24.488 45.385 -26.086 1.00 25.89 N +ATOM 343 CA LEU B 82 -24.829 46.749 -26.475 1.00 26.71 C +ATOM 344 C LEU B 82 -24.796 47.701 -25.291 1.00 29.01 C +ATOM 345 O LEU B 82 -24.562 48.905 -25.460 1.00 30.02 O +ATOM 346 CB LEU B 82 -26.216 46.782 -27.091 1.00 24.92 C +ATOM 347 CG LEU B 82 -26.361 45.980 -28.374 1.00 26.08 C +ATOM 348 CD1 LEU B 82 -27.821 45.950 -28.742 1.00 26.68 C +ATOM 349 CD2 LEU B 82 -25.517 46.572 -29.511 1.00 21.29 C +ATOM 350 N GLU B 83 -25.046 47.156 -24.102 1.00 30.79 N +ATOM 351 CA GLU B 83 -25.053 47.923 -22.865 1.00 32.39 C +ATOM 352 C GLU B 83 -23.613 48.074 -22.423 1.00 31.84 C +ATOM 353 O GLU B 83 -22.897 47.085 -22.338 1.00 31.64 O +ATOM 354 CB GLU B 83 -25.905 47.223 -21.806 1.00 32.61 C +ATOM 355 CG GLU B 83 -27.331 46.907 -22.299 1.00 34.71 C +ATOM 356 CD GLU B 83 -28.250 46.378 -21.208 1.00 34.91 C +ATOM 357 OE1 GLU B 83 -28.245 46.943 -20.097 1.00 39.27 O +ATOM 358 OE2 GLU B 83 -28.993 45.406 -21.462 1.00 36.35 O +ATOM 359 N PRO B 84 -23.180 49.320 -22.158 1.00 32.22 N +ATOM 360 CA PRO B 84 -21.759 49.655 -22.044 1.00 32.31 C +ATOM 361 C PRO B 84 -20.903 48.637 -21.263 1.00 32.94 C +ATOM 362 O PRO B 84 -19.780 48.317 -21.681 1.00 33.40 O +ATOM 363 CB PRO B 84 -21.790 51.012 -21.352 1.00 31.63 C +ATOM 364 CG PRO B 84 -23.050 51.624 -21.845 1.00 31.47 C +ATOM 365 CD PRO B 84 -24.035 50.502 -21.936 1.00 31.71 C +ATOM 366 N GLU B 85 -21.436 48.120 -20.159 1.00 32.57 N +ATOM 367 CA GLU B 85 -20.674 47.217 -19.293 1.00 31.86 C +ATOM 368 C GLU B 85 -21.213 45.788 -19.384 1.00 30.56 C +ATOM 369 O GLU B 85 -20.606 44.858 -18.854 1.00 30.78 O +ATOM 370 CB GLU B 85 -20.715 47.734 -17.846 1.00 32.79 C +ATOM 371 CG GLU B 85 -19.515 47.373 -16.970 1.00 35.62 C +ATOM 372 CD GLU B 85 -19.836 46.342 -15.888 1.00 38.46 C +ATOM 373 OE1 GLU B 85 -20.643 45.421 -16.137 1.00 39.95 O +ATOM 374 OE2 GLU B 85 -19.272 46.451 -14.777 1.00 37.73 O +ATOM 375 N GLY B 86 -22.335 45.626 -20.088 1.00 28.52 N +ATOM 376 CA GLY B 86 -23.104 44.374 -20.128 1.00 25.88 C +ATOM 377 C GLY B 86 -22.391 43.068 -20.454 1.00 24.42 C +ATOM 378 O GLY B 86 -21.362 43.065 -21.137 1.00 24.44 O +ATOM 379 N SER B 87 -22.951 41.959 -19.957 1.00 22.28 N +ATOM 380 CA SER B 87 -22.429 40.616 -20.230 1.00 22.30 C +ATOM 381 C SER B 87 -23.487 39.553 -20.547 1.00 20.72 C +ATOM 382 O SER B 87 -24.393 39.282 -19.732 1.00 19.93 O +ATOM 383 CB SER B 87 -21.515 40.110 -19.109 1.00 22.56 C +ATOM 384 OG SER B 87 -22.235 40.008 -17.901 1.00 26.74 O +ATOM 385 N PRO B 88 -23.346 38.922 -21.733 1.00 18.45 N +ATOM 386 CA PRO B 88 -24.243 37.848 -22.166 1.00 18.72 C +ATOM 387 C PRO B 88 -24.135 36.626 -21.228 1.00 19.58 C +ATOM 388 O PRO B 88 -25.127 35.948 -20.933 1.00 19.96 O +ATOM 389 CB PRO B 88 -23.732 37.525 -23.578 1.00 18.24 C +ATOM 390 CG PRO B 88 -22.924 38.752 -23.990 1.00 14.90 C +ATOM 391 CD PRO B 88 -22.304 39.216 -22.734 1.00 14.39 C +ATOM 392 N SER B 89 -22.925 36.376 -20.748 1.00 19.25 N +ATOM 393 CA SER B 89 -22.695 35.307 -19.812 1.00 19.40 C +ATOM 394 C SER B 89 -23.563 35.486 -18.555 1.00 20.32 C +ATOM 395 O SER B 89 -24.194 34.519 -18.104 1.00 21.07 O +ATOM 396 CB SER B 89 -21.210 35.236 -19.472 1.00 18.45 C +ATOM 397 OG SER B 89 -20.447 35.218 -20.660 1.00 20.22 O +ATOM 398 N LEU B 90 -23.624 36.714 -18.021 1.00 19.44 N +ATOM 399 CA LEU B 90 -24.446 37.011 -16.828 1.00 17.87 C +ATOM 400 C LEU B 90 -25.881 36.717 -17.133 1.00 18.30 C +ATOM 401 O LEU B 90 -26.549 35.981 -16.398 1.00 20.29 O +ATOM 402 CB LEU B 90 -24.305 38.462 -16.378 1.00 17.14 C +ATOM 403 CG LEU B 90 -24.972 38.877 -15.064 1.00 19.15 C +ATOM 404 CD1 LEU B 90 -24.777 37.821 -13.988 1.00 14.16 C +ATOM 405 CD2 LEU B 90 -24.430 40.234 -14.585 1.00 15.31 C +ATOM 406 N CYS B 91 -26.352 37.249 -18.249 1.00 20.84 N +ATOM 407 CA CYS B 91 -27.680 36.895 -18.715 1.00 19.73 C +ATOM 408 C CYS B 91 -27.807 35.353 -18.783 1.00 17.27 C +ATOM 409 O CYS B 91 -28.734 34.785 -18.202 1.00 17.51 O +ATOM 410 CB CYS B 91 -27.991 37.581 -20.042 1.00 19.60 C +ATOM 411 SG CYS B 91 -29.427 36.884 -20.954 1.00 29.65 S +ATOM 412 N LEU B 92 -26.849 34.680 -19.421 1.00 15.20 N +ATOM 413 CA LEU B 92 -26.951 33.220 -19.625 1.00 14.58 C +ATOM 414 C LEU B 92 -27.007 32.376 -18.328 1.00 14.64 C +ATOM 415 O LEU B 92 -27.772 31.410 -18.230 1.00 13.34 O +ATOM 416 CB LEU B 92 -25.831 32.698 -20.536 1.00 12.00 C +ATOM 417 CG LEU B 92 -25.848 31.167 -20.681 1.00 8.50 C +ATOM 418 CD1 LEU B 92 -27.042 30.700 -21.491 1.00 5.60 C +ATOM 419 CD2 LEU B 92 -24.560 30.650 -21.275 1.00 9.66 C +ATOM 420 N LEU B 93 -26.168 32.726 -17.363 1.00 14.50 N +ATOM 421 CA LEU B 93 -26.093 31.979 -16.134 1.00 15.73 C +ATOM 422 C LEU B 93 -27.391 32.159 -15.333 1.00 17.11 C +ATOM 423 O LEU B 93 -27.966 31.176 -14.869 1.00 17.59 O +ATOM 424 CB LEU B 93 -24.857 32.398 -15.332 1.00 15.30 C +ATOM 425 CG LEU B 93 -23.484 32.058 -15.951 1.00 14.64 C +ATOM 426 CD1 LEU B 93 -22.334 32.621 -15.094 1.00 13.53 C +ATOM 427 CD2 LEU B 93 -23.267 30.561 -16.248 1.00 10.68 C +ATOM 428 N LYS B 94 -27.867 33.399 -15.212 1.00 17.36 N +ATOM 429 CA LYS B 94 -29.166 33.660 -14.548 1.00 18.60 C +ATOM 430 C LYS B 94 -30.287 32.874 -15.217 1.00 18.71 C +ATOM 431 O LYS B 94 -31.051 32.188 -14.550 1.00 22.44 O +ATOM 432 CB LYS B 94 -29.504 35.167 -14.492 1.00 16.79 C +ATOM 433 CG LYS B 94 -28.648 35.937 -13.513 1.00 15.84 C +ATOM 434 CD LYS B 94 -28.685 37.421 -13.791 1.00 19.34 C +ATOM 435 CE LYS B 94 -27.949 38.214 -12.703 1.00 21.52 C +ATOM 436 NZ LYS B 94 -28.123 39.694 -12.835 1.00 21.37 N +ATOM 437 N LEU B 95 -30.375 32.971 -16.533 1.00 17.97 N +ATOM 438 CA LEU B 95 -31.279 32.144 -17.312 1.00 17.50 C +ATOM 439 C LEU B 95 -31.115 30.659 -16.997 1.00 17.20 C +ATOM 440 O LEU B 95 -32.097 29.975 -16.746 1.00 17.11 O +ATOM 441 CB LEU B 95 -31.015 32.379 -18.794 1.00 17.87 C +ATOM 442 CG LEU B 95 -32.146 32.103 -19.772 1.00 19.27 C +ATOM 443 CD1 LEU B 95 -33.506 32.392 -19.151 1.00 21.63 C +ATOM 444 CD2 LEU B 95 -31.921 32.952 -21.021 1.00 20.18 C +ATOM 445 N MET B 96 -29.878 30.164 -17.007 1.00 17.83 N +ATOM 446 CA MET B 96 -29.610 28.758 -16.669 1.00 19.34 C +ATOM 447 C MET B 96 -30.018 28.437 -15.233 1.00 19.17 C +ATOM 448 O MET B 96 -30.541 27.344 -14.965 1.00 17.66 O +ATOM 449 CB MET B 96 -28.144 28.365 -16.914 1.00 19.82 C +ATOM 450 CG MET B 96 -27.844 27.876 -18.346 1.00 19.80 C +ATOM 451 SD MET B 96 -26.085 27.958 -18.759 1.00 17.93 S +ATOM 452 CE MET B 96 -25.331 26.774 -17.610 1.00 15.57 C +ATOM 453 N GLY B 97 -29.791 29.393 -14.330 1.00 18.90 N +ATOM 454 CA GLY B 97 -30.241 29.285 -12.937 1.00 19.85 C +ATOM 455 C GLY B 97 -31.746 29.102 -12.821 1.00 19.81 C +ATOM 456 O GLY B 97 -32.204 28.128 -12.248 1.00 17.60 O +ATOM 457 N GLU B 98 -32.500 30.049 -13.387 1.00 21.46 N +ATOM 458 CA GLU B 98 -33.955 30.003 -13.463 1.00 23.56 C +ATOM 459 C GLU B 98 -34.436 28.641 -13.985 1.00 24.35 C +ATOM 460 O GLU B 98 -35.426 28.097 -13.473 1.00 25.87 O +ATOM 461 CB GLU B 98 -34.480 31.135 -14.350 1.00 21.71 C +ATOM 462 CG GLU B 98 -33.981 32.537 -13.965 1.00 25.88 C +ATOM 463 CD GLU B 98 -34.274 33.642 -15.029 1.00 29.25 C +ATOM 464 OE1 GLU B 98 -35.014 33.386 -16.017 1.00 34.93 O +ATOM 465 OE2 GLU B 98 -33.764 34.784 -14.870 1.00 29.50 O +ATOM 466 N LYS B 99 -33.723 28.082 -14.975 1.00 25.21 N +ATOM 467 CA LYS B 99 -34.087 26.793 -15.609 1.00 23.82 C +ATOM 468 C LYS B 99 -33.811 25.598 -14.710 1.00 23.48 C +ATOM 469 O LYS B 99 -34.273 24.487 -14.995 1.00 25.38 O +ATOM 470 CB LYS B 99 -33.350 26.579 -16.939 1.00 24.27 C +ATOM 471 CG LYS B 99 -33.378 27.740 -17.915 1.00 24.68 C +ATOM 472 CD LYS B 99 -34.710 27.849 -18.620 1.00 27.15 C +ATOM 473 CE LYS B 99 -34.636 28.862 -19.739 1.00 27.14 C +ATOM 474 NZ LYS B 99 -35.910 28.939 -20.506 1.00 27.66 N +ATOM 475 N GLY B 100 -33.032 25.814 -13.652 1.00 22.91 N +ATOM 476 CA GLY B 100 -32.769 24.775 -12.646 1.00 24.27 C +ATOM 477 C GLY B 100 -31.332 24.316 -12.436 1.00 25.05 C +ATOM 478 O GLY B 100 -31.093 23.320 -11.774 1.00 26.05 O +ATOM 479 N CYS B 101 -30.374 25.054 -12.977 1.00 26.12 N +ATOM 480 CA CYS B 101 -28.974 24.657 -12.941 1.00 25.18 C +ATOM 481 C CYS B 101 -28.344 25.025 -11.584 1.00 23.70 C +ATOM 482 O CYS B 101 -28.574 26.123 -11.050 1.00 23.37 O +ATOM 483 CB CYS B 101 -28.231 25.303 -14.141 1.00 25.61 C +ATOM 484 SG CYS B 101 -26.602 24.623 -14.706 1.00 28.68 S +ATOM 485 N THR B 102 -27.571 24.084 -11.040 1.00 22.62 N +ATOM 486 CA THR B 102 -26.761 24.277 -9.844 1.00 21.87 C +ATOM 487 C THR B 102 -25.353 24.566 -10.285 1.00 21.13 C +ATOM 488 O THR B 102 -25.025 24.400 -11.450 1.00 22.95 O +ATOM 489 CB THR B 102 -26.668 22.993 -9.058 1.00 22.58 C +ATOM 490 OG1 THR B 102 -27.781 22.149 -9.388 1.00 21.79 O +ATOM 491 CG2 THR B 102 -26.588 23.286 -7.520 1.00 26.47 C +ATOM 492 N VAL B 103 -24.503 24.970 -9.357 1.00 21.01 N +ATOM 493 CA VAL B 103 -23.078 25.086 -9.640 1.00 20.73 C +ATOM 494 C VAL B 103 -22.415 23.725 -9.924 1.00 21.63 C +ATOM 495 O VAL B 103 -21.313 23.669 -10.482 1.00 25.10 O +ATOM 496 CB VAL B 103 -22.332 25.807 -8.498 1.00 20.86 C +ATOM 497 CG1 VAL B 103 -20.828 25.884 -8.784 1.00 18.38 C +ATOM 498 CG2 VAL B 103 -22.912 27.201 -8.290 1.00 21.08 C +ATOM 499 N THR B 104 -23.061 22.625 -9.559 1.00 20.77 N +ATOM 500 CA THR B 104 -22.479 21.334 -9.893 1.00 21.00 C +ATOM 501 C THR B 104 -22.849 20.918 -11.293 1.00 21.00 C +ATOM 502 O THR B 104 -22.066 20.255 -11.950 1.00 23.98 O +ATOM 503 CB THR B 104 -22.774 20.185 -8.877 1.00 20.13 C +ATOM 504 OG1 THR B 104 -24.024 20.410 -8.211 1.00 22.02 O +ATOM 505 CG2 THR B 104 -21.660 20.099 -7.863 1.00 18.81 C +ATOM 506 N GLU B 105 -24.036 21.286 -11.752 1.00 20.73 N +ATOM 507 CA GLU B 105 -24.404 20.978 -13.121 1.00 21.73 C +ATOM 508 C GLU B 105 -23.557 21.799 -14.079 1.00 22.90 C +ATOM 509 O GLU B 105 -23.159 21.288 -15.128 1.00 23.63 O +ATOM 510 CB GLU B 105 -25.894 21.170 -13.351 1.00 21.05 C +ATOM 511 CG GLU B 105 -26.713 20.043 -12.729 1.00 26.07 C +ATOM 512 CD GLU B 105 -28.203 20.352 -12.619 1.00 31.19 C +ATOM 513 OE1 GLU B 105 -28.793 20.832 -13.616 1.00 33.88 O +ATOM 514 OE2 GLU B 105 -28.788 20.099 -11.536 1.00 30.96 O +ATOM 515 N LEU B 106 -23.252 23.043 -13.682 1.00 23.24 N +ATOM 516 CA LEU B 106 -22.408 23.964 -14.455 1.00 22.81 C +ATOM 517 C LEU B 106 -21.039 23.356 -14.713 1.00 24.27 C +ATOM 518 O LEU B 106 -20.538 23.407 -15.846 1.00 24.47 O +ATOM 519 CB LEU B 106 -22.258 25.317 -13.738 1.00 23.10 C +ATOM 520 CG LEU B 106 -21.432 26.423 -14.426 1.00 22.93 C +ATOM 521 CD1 LEU B 106 -21.855 26.615 -15.863 1.00 19.50 C +ATOM 522 CD2 LEU B 106 -21.543 27.751 -13.675 1.00 19.97 C +ATOM 523 N SER B 107 -20.437 22.787 -13.667 1.00 24.09 N +ATOM 524 CA SER B 107 -19.143 22.130 -13.807 1.00 24.69 C +ATOM 525 C SER B 107 -19.228 20.941 -14.737 1.00 25.60 C +ATOM 526 O SER B 107 -18.383 20.798 -15.617 1.00 26.92 O +ATOM 527 CB SER B 107 -18.598 21.709 -12.464 1.00 24.73 C +ATOM 528 OG SER B 107 -18.195 22.865 -11.770 1.00 27.18 O +ATOM 529 N ASP B 108 -20.256 20.111 -14.571 1.00 25.10 N +ATOM 530 CA ASP B 108 -20.585 19.084 -15.568 1.00 26.51 C +ATOM 531 C ASP B 108 -20.503 19.566 -17.027 1.00 26.23 C +ATOM 532 O ASP B 108 -19.906 18.894 -17.867 1.00 26.96 O +ATOM 533 CB ASP B 108 -21.977 18.509 -15.316 1.00 26.69 C +ATOM 534 CG ASP B 108 -21.982 17.480 -14.226 1.00 28.45 C +ATOM 535 OD1 ASP B 108 -20.999 17.438 -13.451 1.00 30.58 O +ATOM 536 OD2 ASP B 108 -22.973 16.718 -14.138 1.00 30.54 O +ATOM 537 N PHE B 109 -21.127 20.708 -17.305 1.00 25.09 N +ATOM 538 CA PHE B 109 -21.154 21.312 -18.629 1.00 24.31 C +ATOM 539 C PHE B 109 -19.801 21.834 -19.067 1.00 24.04 C +ATOM 540 O PHE B 109 -19.362 21.536 -20.159 1.00 23.52 O +ATOM 541 CB PHE B 109 -22.189 22.426 -18.676 1.00 23.42 C +ATOM 542 CG PHE B 109 -23.590 21.933 -18.535 1.00 23.99 C +ATOM 543 CD1 PHE B 109 -24.064 20.915 -19.365 1.00 26.29 C +ATOM 544 CD2 PHE B 109 -24.445 22.477 -17.589 1.00 22.74 C +ATOM 545 CE1 PHE B 109 -25.370 20.440 -19.258 1.00 25.04 C +ATOM 546 CE2 PHE B 109 -25.753 22.019 -17.473 1.00 21.89 C +ATOM 547 CZ PHE B 109 -26.219 20.992 -18.305 1.00 23.18 C +ATOM 548 N LEU B 110 -19.136 22.595 -18.204 1.00 25.19 N +ATOM 549 CA LEU B 110 -17.791 23.116 -18.493 1.00 23.53 C +ATOM 550 C LEU B 110 -16.714 22.043 -18.718 1.00 23.81 C +ATOM 551 O LEU B 110 -15.765 22.274 -19.473 1.00 24.60 O +ATOM 552 CB LEU B 110 -17.364 24.089 -17.391 1.00 22.17 C +ATOM 553 CG LEU B 110 -18.262 25.332 -17.320 1.00 19.16 C +ATOM 554 CD1 LEU B 110 -17.927 26.107 -16.083 1.00 17.00 C +ATOM 555 CD2 LEU B 110 -18.147 26.222 -18.569 1.00 14.91 C +ATOM 556 N GLN B 111 -16.872 20.892 -18.053 1.00 24.93 N +ATOM 557 CA GLN B 111 -15.999 19.701 -18.191 1.00 24.95 C +ATOM 558 C GLN B 111 -16.190 19.049 -19.554 1.00 25.03 C +ATOM 559 O GLN B 111 -15.226 18.828 -20.306 1.00 26.08 O +ATOM 560 CB GLN B 111 -16.364 18.666 -17.130 1.00 24.86 C +ATOM 561 CG GLN B 111 -15.245 17.735 -16.714 1.00 28.50 C +ATOM 562 CD GLN B 111 -14.495 18.233 -15.479 1.00 33.79 C +ATOM 563 OE1 GLN B 111 -15.099 18.620 -14.450 1.00 35.31 O +ATOM 564 NE2 GLN B 111 -13.167 18.218 -15.568 1.00 34.49 N +ATOM 565 N ALA B 112 -17.448 18.709 -19.834 1.00 23.32 N +ATOM 566 CA ALA B 112 -17.893 18.293 -21.151 1.00 22.59 C +ATOM 567 C ALA B 112 -17.417 19.256 -22.262 1.00 22.68 C +ATOM 568 O ALA B 112 -16.995 18.803 -23.314 1.00 21.93 O +ATOM 569 CB ALA B 112 -19.426 18.150 -21.160 1.00 21.85 C +ATOM 570 N MET B 113 -17.472 20.571 -22.025 1.00 22.83 N +ATOM 571 CA MET B 113 -17.052 21.557 -23.032 1.00 23.50 C +ATOM 572 C MET B 113 -15.587 21.329 -23.381 1.00 26.31 C +ATOM 573 O MET B 113 -15.233 21.155 -24.551 1.00 27.59 O +ATOM 574 CB MET B 113 -17.245 22.975 -22.523 1.00 22.01 C +ATOM 575 CG MET B 113 -17.373 24.032 -23.600 1.00 23.83 C +ATOM 576 SD MET B 113 -18.045 25.607 -22.974 1.00 21.95 S +ATOM 577 CE MET B 113 -19.230 24.942 -21.818 1.00 24.84 C +ATOM 578 N GLU B 114 -14.746 21.299 -22.351 1.00 27.26 N +ATOM 579 CA GLU B 114 -13.332 20.982 -22.488 1.00 26.54 C +ATOM 580 C GLU B 114 -13.106 19.625 -23.153 1.00 25.47 C +ATOM 581 O GLU B 114 -12.269 19.502 -24.021 1.00 26.89 O +ATOM 582 CB GLU B 114 -12.673 20.999 -21.117 1.00 26.31 C +ATOM 583 CG GLU B 114 -12.490 22.378 -20.524 1.00 28.94 C +ATOM 584 CD GLU B 114 -11.487 22.379 -19.381 1.00 33.57 C +ATOM 585 OE1 GLU B 114 -10.641 21.453 -19.323 1.00 34.90 O +ATOM 586 OE2 GLU B 114 -11.532 23.307 -18.536 1.00 36.75 O +ATOM 587 N HIS B 115 -13.877 18.625 -22.765 1.00 24.72 N +ATOM 588 CA HIS B 115 -13.688 17.273 -23.260 1.00 26.17 C +ATOM 589 C HIS B 115 -14.177 17.046 -24.690 1.00 26.12 C +ATOM 590 O HIS B 115 -13.588 16.258 -25.415 1.00 28.28 O +ATOM 591 CB HIS B 115 -14.305 16.260 -22.296 1.00 26.14 C +ATOM 592 CG HIS B 115 -13.519 16.079 -21.030 1.00 29.46 C +ATOM 593 ND1 HIS B 115 -13.745 15.039 -20.150 1.00 30.78 N +ATOM 594 CD2 HIS B 115 -12.494 16.794 -20.505 1.00 30.50 C +ATOM 595 CE1 HIS B 115 -12.907 15.132 -19.132 1.00 29.76 C +ATOM 596 NE2 HIS B 115 -12.132 16.184 -19.327 1.00 30.95 N +ATOM 597 N THR B 116 -15.231 17.728 -25.114 1.00 25.54 N +ATOM 598 CA THR B 116 -15.629 17.642 -26.520 1.00 24.94 C +ATOM 599 C THR B 116 -14.795 18.531 -27.448 1.00 24.72 C +ATOM 600 O THR B 116 -14.683 18.223 -28.645 1.00 25.21 O +ATOM 601 CB THR B 116 -17.089 17.978 -26.755 1.00 24.26 C +ATOM 602 OG1 THR B 116 -17.348 19.285 -26.225 1.00 30.55 O +ATOM 603 CG2 THR B 116 -18.029 16.908 -26.143 1.00 22.74 C +ATOM 604 N GLU B 117 -14.231 19.626 -26.918 1.00 24.23 N +ATOM 605 CA GLU B 117 -13.349 20.501 -27.713 1.00 24.62 C +ATOM 606 C GLU B 117 -12.155 19.727 -28.281 1.00 24.40 C +ATOM 607 O GLU B 117 -11.826 19.890 -29.454 1.00 25.02 O +ATOM 608 CB GLU B 117 -12.861 21.709 -26.925 1.00 23.66 C +ATOM 609 CG GLU B 117 -11.905 22.590 -27.715 1.00 25.13 C +ATOM 610 CD GLU B 117 -11.436 23.846 -26.970 1.00 28.20 C +ATOM 611 OE1 GLU B 117 -11.437 23.851 -25.712 1.00 30.31 O +ATOM 612 OE2 GLU B 117 -11.042 24.832 -27.658 1.00 31.99 O +ATOM 613 N VAL B 118 -11.515 18.897 -27.454 1.00 22.61 N +ATOM 614 CA VAL B 118 -10.462 18.011 -27.942 1.00 21.37 C +ATOM 615 C VAL B 118 -10.979 16.915 -28.847 1.00 21.97 C +ATOM 616 O VAL B 118 -10.441 16.739 -29.921 1.00 24.69 O +ATOM 617 CB VAL B 118 -9.628 17.376 -26.839 1.00 19.92 C +ATOM 618 CG1 VAL B 118 -8.443 18.229 -26.567 1.00 18.32 C +ATOM 619 CG2 VAL B 118 -10.480 17.114 -25.569 1.00 20.82 C +ATOM 620 N LEU B 119 -12.002 16.172 -28.428 1.00 23.41 N +ATOM 621 CA LEU B 119 -12.574 15.132 -29.284 1.00 24.39 C +ATOM 622 C LEU B 119 -12.848 15.684 -30.678 1.00 25.84 C +ATOM 623 O LEU B 119 -12.598 15.002 -31.684 1.00 27.48 O +ATOM 624 CB LEU B 119 -13.850 14.514 -28.698 1.00 24.00 C +ATOM 625 CG LEU B 119 -13.788 13.214 -27.888 1.00 23.58 C +ATOM 626 CD1 LEU B 119 -12.547 12.359 -28.209 1.00 19.85 C +ATOM 627 CD2 LEU B 119 -13.873 13.502 -26.394 1.00 24.39 C +ATOM 628 N GLN B 120 -13.328 16.925 -30.735 1.00 26.67 N +ATOM 629 CA GLN B 120 -13.561 17.608 -32.010 1.00 27.51 C +ATOM 630 C GLN B 120 -12.247 17.819 -32.776 1.00 26.69 C +ATOM 631 O GLN B 120 -12.124 17.413 -33.930 1.00 27.56 O +ATOM 632 CB GLN B 120 -14.320 18.926 -31.779 1.00 27.67 C +ATOM 633 CG GLN B 120 -14.293 19.926 -32.937 1.00 31.13 C +ATOM 634 CD GLN B 120 -13.537 21.213 -32.604 1.00 35.22 C +ATOM 635 OE1 GLN B 120 -13.906 21.955 -31.676 1.00 36.32 O +ATOM 636 NE2 GLN B 120 -12.488 21.499 -33.381 1.00 35.43 N +ATOM 637 N LEU B 121 -11.266 18.413 -32.105 1.00 26.52 N +ATOM 638 CA LEU B 121 -10.002 18.812 -32.705 1.00 27.24 C +ATOM 639 C LEU B 121 -9.204 17.644 -33.280 1.00 29.07 C +ATOM 640 O LEU B 121 -8.410 17.826 -34.201 1.00 29.66 O +ATOM 641 CB LEU B 121 -9.164 19.559 -31.672 1.00 27.20 C +ATOM 642 CG LEU B 121 -9.482 21.046 -31.587 1.00 27.61 C +ATOM 643 CD1 LEU B 121 -9.129 21.599 -30.221 1.00 27.63 C +ATOM 644 CD2 LEU B 121 -8.731 21.780 -32.696 1.00 27.82 C +ATOM 645 N LEU B 122 -9.417 16.456 -32.718 1.00 29.49 N +ATOM 646 CA LEU B 122 -8.798 15.229 -33.190 1.00 29.74 C +ATOM 647 C LEU B 122 -9.736 14.388 -34.065 1.00 30.30 C +ATOM 648 O LEU B 122 -9.500 13.196 -34.270 1.00 30.34 O +ATOM 649 CB LEU B 122 -8.354 14.389 -31.997 1.00 30.29 C +ATOM 650 CG LEU B 122 -7.379 15.006 -31.002 1.00 32.78 C +ATOM 651 CD1 LEU B 122 -7.231 14.099 -29.779 1.00 30.48 C +ATOM 652 CD2 LEU B 122 -6.043 15.234 -31.675 1.00 34.89 C +ATOM 653 N SER B 123 -10.805 14.985 -34.572 1.00 30.53 N +ATOM 654 CA SER B 123 -11.697 14.218 -35.431 1.00 31.53 C +ATOM 655 C SER B 123 -11.492 14.470 -36.931 1.00 31.43 C +ATOM 656 O SER B 123 -11.293 15.618 -37.350 1.00 30.43 O +ATOM 657 CB SER B 123 -13.156 14.389 -35.013 1.00 32.13 C +ATOM 658 OG SER B 123 -13.484 13.397 -34.059 1.00 32.72 O +ATOM 659 N PRO B 124 -11.513 13.383 -37.735 1.00 31.64 N +ATOM 660 CA PRO B 124 -11.383 13.449 -39.192 1.00 30.94 C +ATOM 661 C PRO B 124 -12.710 13.810 -39.854 1.00 30.34 C +ATOM 662 O PRO B 124 -13.070 14.985 -39.912 1.00 29.38 O +ATOM 663 CB PRO B 124 -10.967 12.017 -39.578 1.00 30.91 C +ATOM 664 CG PRO B 124 -10.823 11.242 -38.274 1.00 31.11 C +ATOM 665 CD PRO B 124 -11.644 11.988 -37.275 1.00 31.85 C Added: SwiftApps/modFTdock/input/2jil-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2jil-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2jil-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,728 @@ +ATOM 1 N SER A -1 21.850 -6.573 5.210 1.00 24.46 N +ATOM 2 CA SER A -1 22.261 -5.402 4.392 1.00 28.75 C +ATOM 3 C SER A -1 21.259 -4.289 4.577 1.00 26.83 C +ATOM 4 O SER A -1 20.161 -4.506 5.101 1.00 24.20 O +ATOM 5 CB SER A -1 22.373 -5.785 2.910 1.00 34.77 C +ATOM 6 OG SER A -1 21.274 -6.588 2.508 1.00 47.29 O +ATOM 7 N MET A 0 21.646 -3.098 4.139 1.00 25.35 N +ATOM 8 CA MET A 0 20.782 -1.916 4.212 1.00 24.44 C +ATOM 9 C MET A 0 19.528 -2.104 3.364 1.00 27.19 C +ATOM 10 O MET A 0 19.588 -2.296 2.155 1.00 27.59 O +ATOM 11 CB MET A 0 21.559 -0.682 3.760 1.00 26.78 C +ATOM 12 CG AMET A 0 22.279 0.006 4.904 0.50 32.84 C +ATOM 13 CG BMET A 0 22.600 -0.160 4.760 0.50 34.66 C +ATOM 14 SD AMET A 0 21.050 0.994 5.799 0.50 34.06 S +ATOM 15 SD BMET A 0 22.030 0.249 6.415 0.50 34.29 S +ATOM 16 CE AMET A 0 21.963 1.570 7.224 0.50 25.15 C +ATOM 17 CE BMET A 0 20.460 0.990 6.014 0.50 20.43 C +ATOM 18 N ARG A 149 18.384 -2.073 4.034 1.00 22.10 N +ATOM 19 CA ARG A 149 17.110 -2.351 3.409 1.00 26.30 C +ATOM 20 C ARG A 149 16.093 -1.444 4.068 1.00 20.29 C +ATOM 21 O ARG A 149 16.325 -0.921 5.167 1.00 22.56 O +ATOM 22 CB ARG A 149 16.716 -3.815 3.588 1.00 25.80 C +ATOM 23 CG ARG A 149 17.657 -4.797 2.873 1.00 43.83 C +ATOM 24 CD ARG A 149 16.900 -5.945 2.229 1.00 57.75 C +ATOM 25 NE ARG A 149 17.619 -6.489 1.077 1.00 64.75 N +ATOM 26 CZ ARG A 149 17.715 -5.890 -0.112 1.00 63.98 C +ATOM 27 NH1 ARG A 149 17.151 -4.701 -0.324 1.00 48.71 N +ATOM 28 NH2 ARG A 149 18.391 -6.479 -1.097 1.00 58.02 N +ATOM 29 N THR A 150 14.994 -1.230 3.355 1.00 18.27 N +ATOM 30 CA THR A 150 13.895 -0.419 3.855 1.00 19.06 C +ATOM 31 C THR A 150 12.841 -1.364 4.419 1.00 19.00 C +ATOM 32 O THR A 150 12.530 -2.405 3.801 1.00 20.81 O +ATOM 33 CB THR A 150 13.246 0.414 2.746 1.00 25.43 C +ATOM 34 OG1 THR A 150 12.531 -0.463 1.897 1.00 37.55 O +ATOM 35 CG2 THR A 150 14.280 1.164 1.926 1.00 24.55 C +ATOM 36 N VAL A 151 12.292 -0.991 5.559 1.00 19.22 N +ATOM 37 CA VAL A 151 11.262 -1.756 6.278 1.00 16.73 C +ATOM 38 C VAL A 151 10.094 -0.851 6.571 1.00 17.63 C +ATOM 39 O VAL A 151 10.258 0.276 7.028 1.00 17.53 O +ATOM 40 CB VAL A 151 11.833 -2.340 7.596 1.00 18.40 C +ATOM 41 CG1 VAL A 151 10.760 -3.013 8.501 1.00 22.45 C +ATOM 42 CG2 VAL A 151 13.021 -3.253 7.265 1.00 20.96 C +ATOM 43 N GLU A 152 8.904 -1.374 6.327 1.00 19.22 N +ATOM 44 CA GLU A 152 7.684 -0.668 6.650 1.00 20.04 C +ATOM 45 C GLU A 152 7.190 -1.072 8.042 1.00 25.99 C +ATOM 46 O GLU A 152 6.984 -2.252 8.315 1.00 24.87 O +ATOM 47 CB GLU A 152 6.588 -0.941 5.624 1.00 25.07 C +ATOM 48 CG GLU A 152 5.422 0.028 5.814 1.00 28.72 C +ATOM 49 CD GLU A 152 4.340 -0.148 4.804 1.00 36.10 C +ATOM 50 OE1 GLU A 152 4.285 0.679 3.865 1.00 25.05 O +ATOM 51 OE2 GLU A 152 3.554 -1.108 4.958 1.00 34.03 O +ATOM 52 N VAL A 153 7.014 -0.073 8.901 1.00 23.90 N +ATOM 53 CA VAL A 153 6.531 -0.259 10.249 1.00 22.98 C +ATOM 54 C VAL A 153 5.243 0.561 10.337 1.00 18.70 C +ATOM 55 O VAL A 153 5.256 1.761 10.050 1.00 24.45 O +ATOM 56 CB VAL A 153 7.573 0.285 11.280 1.00 23.84 C +ATOM 57 CG1 VAL A 153 7.031 0.290 12.709 1.00 25.37 C +ATOM 58 CG2 VAL A 153 8.904 -0.500 11.227 1.00 24.71 C +ATOM 59 N THR A 154 4.150 -0.081 10.765 1.00 19.23 N +ATOM 60 CA THR A 154 2.893 0.588 11.057 1.00 18.83 C +ATOM 61 C THR A 154 2.784 0.790 12.565 1.00 24.84 C +ATOM 62 O THR A 154 2.870 -0.174 13.327 1.00 22.60 O +ATOM 63 CB ATHR A 154 1.675 -0.223 10.590 0.50 22.13 C +ATOM 64 CB BTHR A 154 1.675 -0.211 10.568 0.50 23.74 C +ATOM 65 OG1ATHR A 154 1.755 -0.429 9.176 0.50 17.95 O +ATOM 66 OG1BTHR A 154 1.845 -1.589 10.908 0.50 37.17 O +ATOM 67 CG2ATHR A 154 0.399 0.518 10.912 0.50 13.61 C +ATOM 68 CG2BTHR A 154 1.528 -0.076 9.057 0.50 24.55 C +ATOM 69 N LEU A 155 2.613 2.044 12.971 1.00 22.26 N +ATOM 70 CA LEU A 155 2.414 2.383 14.383 1.00 20.37 C +ATOM 71 C LEU A 155 1.076 3.061 14.602 1.00 21.80 C +ATOM 72 O LEU A 155 0.580 3.783 13.736 1.00 22.06 O +ATOM 73 CB LEU A 155 3.529 3.318 14.869 1.00 19.08 C +ATOM 74 CG LEU A 155 4.966 2.767 14.882 1.00 18.53 C +ATOM 75 CD1 LEU A 155 5.899 3.811 15.437 1.00 22.32 C +ATOM 76 CD2 LEU A 155 5.054 1.496 15.680 1.00 25.96 C +ATOM 77 N HIS A 156 0.524 2.860 15.795 1.00 18.97 N +ATOM 78 CA HIS A 156 -0.694 3.535 16.232 1.00 19.41 C +ATOM 79 C HIS A 156 -0.342 4.524 17.352 1.00 19.90 C +ATOM 80 O HIS A 156 0.089 4.133 18.439 1.00 19.09 O +ATOM 81 CB HIS A 156 -1.746 2.521 16.683 1.00 20.47 C +ATOM 82 CG HIS A 156 -2.114 1.525 15.618 1.00 30.05 C +ATOM 83 ND1 HIS A 156 -3.281 1.608 14.889 1.00 31.43 N +ATOM 84 CD2 HIS A 156 -1.452 0.439 15.145 1.00 35.87 C +ATOM 85 CE1 HIS A 156 -3.331 0.607 14.026 1.00 35.81 C +ATOM 86 NE2 HIS A 156 -2.232 -0.115 14.158 1.00 28.84 N +ATOM 87 N LYS A 157 -0.491 5.807 17.041 1.00 17.42 N +ATOM 88 CA LYS A 157 -0.233 6.870 17.974 1.00 16.58 C +ATOM 89 C LYS A 157 -1.139 6.785 19.186 1.00 13.89 C +ATOM 90 O LYS A 157 -2.321 6.372 19.110 1.00 17.60 O +ATOM 91 CB LYS A 157 -0.426 8.232 17.320 1.00 16.59 C +ATOM 92 CG LYS A 157 0.654 8.575 16.343 1.00 20.76 C +ATOM 93 CD LYS A 157 0.666 10.032 15.981 1.00 22.00 C +ATOM 94 CE LYS A 157 -0.362 10.379 14.969 1.00 23.25 C +ATOM 95 NZ LYS A 157 -0.205 11.759 14.514 1.00 23.35 N +ATOM 96 N GLU A 158 -0.577 7.216 20.314 1.00 14.94 N +ATOM 97 CA GLU A 158 -1.295 7.356 21.584 1.00 18.92 C +ATOM 98 C GLU A 158 -0.969 8.711 22.181 1.00 16.81 C +ATOM 99 O GLU A 158 0.196 9.057 22.299 1.00 16.93 O +ATOM 100 CB GLU A 158 -0.903 6.249 22.564 1.00 17.78 C +ATOM 101 CG AGLU A 158 -1.333 4.853 22.127 0.50 21.74 C +ATOM 102 CG BGLU A 158 -1.348 4.854 22.145 0.50 23.24 C +ATOM 103 CD AGLU A 158 -2.806 4.783 21.826 0.50 15.03 C +ATOM 104 CD BGLU A 158 -0.940 3.799 23.154 0.50 25.53 C +ATOM 105 OE1AGLU A 158 -3.563 5.574 22.432 0.50 14.98 O +ATOM 106 OE1BGLU A 158 -1.167 4.001 24.368 0.50 25.37 O +ATOM 107 OE2AGLU A 158 -3.201 3.967 20.971 0.50 22.92 O +ATOM 108 OE2BGLU A 158 -0.398 2.751 22.746 0.50 21.06 O +ATOM 109 N GLY A 159 -1.985 9.487 22.525 1.00 18.59 N +ATOM 110 CA GLY A 159 -1.754 10.878 22.933 1.00 19.30 C +ATOM 111 C GLY A 159 -1.148 11.677 21.790 1.00 21.26 C +ATOM 112 O GLY A 159 -0.366 12.622 22.012 1.00 15.15 O +ATOM 113 N ASN A 160 -1.511 11.305 20.558 1.00 19.05 N +ATOM 114 CA ASN A 160 -0.873 11.853 19.348 1.00 17.56 C +ATOM 115 C ASN A 160 0.665 11.787 19.321 1.00 17.46 C +ATOM 116 O ASN A 160 1.338 12.657 18.742 1.00 19.24 O +ATOM 117 CB ASN A 160 -1.351 13.271 19.069 1.00 18.19 C +ATOM 118 CG ASN A 160 -1.249 13.640 17.587 1.00 27.20 C +ATOM 119 OD1 ASN A 160 -1.528 12.815 16.714 1.00 24.74 O +ATOM 120 ND2 ASN A 160 -0.872 14.885 17.306 1.00 28.71 N +ATOM 121 N THR A 161 1.216 10.723 19.915 1.00 17.37 N +ATOM 122 CA THR A 161 2.656 10.469 19.906 1.00 16.89 C +ATOM 123 C THR A 161 2.948 9.034 19.469 1.00 15.56 C +ATOM 124 O THR A 161 2.170 8.136 19.705 1.00 17.97 O +ATOM 125 CB ATHR A 161 3.284 10.718 21.303 0.50 18.20 C +ATOM 126 CB BTHR A 161 3.292 10.709 21.297 0.50 18.84 C +ATOM 127 OG1ATHR A 161 2.759 9.781 22.247 0.50 19.50 O +ATOM 128 OG1BTHR A 161 4.670 11.058 21.136 0.50 33.81 O +ATOM 129 CG2ATHR A 161 2.992 12.129 21.771 0.50 10.74 C +ATOM 130 CG2BTHR A 161 3.204 9.470 22.142 0.50 11.22 C +ATOM 131 N PHE A 162 4.082 8.860 18.813 1.00 15.55 N +ATOM 132 CA PHE A 162 4.645 7.571 18.425 1.00 16.49 C +ATOM 133 C PHE A 162 5.598 7.003 19.456 1.00 16.51 C +ATOM 134 O PHE A 162 5.841 5.809 19.454 1.00 19.22 O +ATOM 135 CB PHE A 162 5.422 7.668 17.106 1.00 18.88 C +ATOM 136 CG PHE A 162 4.559 7.855 15.910 1.00 27.22 C +ATOM 137 CD1 PHE A 162 3.740 6.828 15.478 1.00 23.68 C +ATOM 138 CD2 PHE A 162 4.549 9.060 15.224 1.00 20.00 C +ATOM 139 CE1 PHE A 162 2.927 6.997 14.379 1.00 26.93 C +ATOM 140 CE2 PHE A 162 3.746 9.225 14.119 1.00 23.61 C +ATOM 141 CZ PHE A 162 2.944 8.195 13.694 1.00 26.46 C +ATOM 142 N GLY A 163 6.167 7.854 20.319 1.00 17.74 N +ATOM 143 CA GLY A 163 7.075 7.348 21.348 1.00 18.40 C +ATOM 144 C GLY A 163 8.491 7.209 20.869 1.00 17.57 C +ATOM 145 O GLY A 163 9.184 6.275 21.220 1.00 19.04 O +ATOM 146 N PHE A 164 8.946 8.141 20.047 1.00 19.51 N +ATOM 147 CA PHE A 164 10.366 8.130 19.666 1.00 18.69 C +ATOM 148 C PHE A 164 10.828 9.566 19.450 1.00 20.38 C +ATOM 149 O PHE A 164 10.020 10.465 19.427 1.00 18.83 O +ATOM 150 CB PHE A 164 10.693 7.188 18.480 1.00 16.69 C +ATOM 151 CG PHE A 164 10.038 7.517 17.162 1.00 17.39 C +ATOM 152 CD1 PHE A 164 10.526 8.510 16.321 1.00 21.42 C +ATOM 153 CD2 PHE A 164 8.993 6.772 16.701 1.00 22.53 C +ATOM 154 CE1 PHE A 164 9.933 8.774 15.079 1.00 21.52 C +ATOM 155 CE2 PHE A 164 8.425 7.022 15.488 1.00 20.83 C +ATOM 156 CZ PHE A 164 8.875 8.031 14.680 1.00 18.11 C +ATOM 157 N VAL A 165 12.137 9.771 19.392 1.00 16.99 N +ATOM 158 CA VAL A 165 12.721 11.111 19.186 1.00 18.81 C +ATOM 159 C VAL A 165 13.409 11.101 17.832 1.00 16.55 C +ATOM 160 O VAL A 165 14.040 10.088 17.472 1.00 18.27 O +ATOM 161 CB VAL A 165 13.695 11.434 20.298 1.00 18.78 C +ATOM 162 CG1 VAL A 165 14.374 12.805 20.065 1.00 18.85 C +ATOM 163 CG2 VAL A 165 12.989 11.369 21.677 1.00 19.87 C +ATOM 164 N ILE A 166 13.296 12.196 17.068 1.00 18.16 N +ATOM 165 CA ILE A 166 13.996 12.338 15.789 1.00 16.51 C +ATOM 166 C ILE A 166 14.988 13.492 15.812 1.00 19.02 C +ATOM 167 O ILE A 166 14.741 14.507 16.454 1.00 19.06 O +ATOM 168 CB ILE A 166 13.057 12.594 14.584 1.00 20.20 C +ATOM 169 CG1 ILE A 166 12.078 13.752 14.825 1.00 20.92 C +ATOM 170 CG2 ILE A 166 12.329 11.292 14.231 1.00 20.93 C +ATOM 171 CD1 ILE A 166 11.468 14.324 13.517 1.00 21.85 C +ATOM 172 N ARG A 167 16.071 13.338 15.042 1.00 16.78 N +ATOM 173 CA ARG A 167 16.966 14.450 14.758 1.00 16.93 C +ATOM 174 C ARG A 167 17.063 14.542 13.254 1.00 17.96 C +ATOM 175 O ARG A 167 16.712 13.617 12.523 1.00 17.33 O +ATOM 176 CB ARG A 167 18.341 14.234 15.337 1.00 16.16 C +ATOM 177 CG ARG A 167 19.183 13.137 14.665 1.00 17.59 C +ATOM 178 CD ARG A 167 20.635 13.109 15.225 1.00 17.82 C +ATOM 179 NE ARG A 167 21.377 11.967 14.731 1.00 18.10 N +ATOM 180 CZ ARG A 167 21.792 11.837 13.475 1.00 19.69 C +ATOM 181 NH1 ARG A 167 21.588 12.796 12.580 1.00 20.01 N +ATOM 182 NH2 ARG A 167 22.482 10.757 13.113 1.00 19.62 N +ATOM 183 N GLY A 168 17.501 15.671 12.774 1.00 16.47 N +ATOM 184 CA GLY A 168 17.762 15.828 11.350 1.00 17.42 C +ATOM 185 C GLY A 168 16.714 16.559 10.553 1.00 17.52 C +ATOM 186 O GLY A 168 15.708 17.025 11.055 1.00 18.65 O +ATOM 187 N GLY A 169 16.944 16.626 9.254 1.00 16.48 N +ATOM 188 CA GLY A 169 16.107 17.435 8.347 1.00 17.42 C +ATOM 189 C GLY A 169 16.877 18.304 7.360 1.00 20.40 C +ATOM 190 O GLY A 169 18.106 18.529 7.477 1.00 18.29 O +ATOM 191 N ALA A 170 16.140 18.764 6.352 1.00 21.38 N +ATOM 192 CA ALA A 170 16.710 19.561 5.259 1.00 26.69 C +ATOM 193 C ALA A 170 17.000 20.994 5.680 1.00 30.67 C +ATOM 194 O ALA A 170 16.502 21.497 6.688 1.00 29.74 O +ATOM 195 CB ALA A 170 15.787 19.549 4.023 1.00 22.26 C +ATOM 196 N HIS A 171 17.824 21.643 4.870 1.00 37.52 N +ATOM 197 CA HIS A 171 18.195 23.024 5.095 1.00 40.93 C +ATOM 198 C HIS A 171 18.619 23.641 3.765 1.00 37.49 C +ATOM 199 O HIS A 171 19.164 22.947 2.899 1.00 28.37 O +ATOM 200 CB HIS A 171 19.334 23.080 6.113 1.00 42.58 C +ATOM 201 CG HIS A 171 19.454 24.396 6.812 1.00 49.20 C +ATOM 202 ND1 HIS A 171 19.725 25.569 6.143 1.00 51.56 N +ATOM 203 CD2 HIS A 171 19.357 24.723 8.122 1.00 52.29 C +ATOM 204 CE1 HIS A 171 19.776 26.565 7.007 1.00 60.83 C +ATOM 205 NE2 HIS A 171 19.559 26.078 8.216 1.00 67.72 N +ATOM 206 N ASP A 172 18.349 24.935 3.604 1.00 44.08 N +ATOM 207 CA ASP A 172 18.814 25.692 2.441 1.00 49.74 C +ATOM 208 C ASP A 172 20.299 25.396 2.149 1.00 52.02 C +ATOM 209 O ASP A 172 20.692 25.196 0.997 1.00 49.33 O +ATOM 210 CB ASP A 172 18.592 27.195 2.673 1.00 50.70 C +ATOM 211 N ASP A 173 21.104 25.362 3.210 1.00 53.78 N +ATOM 212 CA ASP A 173 22.512 24.966 3.141 1.00 55.24 C +ATOM 213 C ASP A 173 22.654 23.434 3.028 1.00 53.85 C +ATOM 214 O ASP A 173 22.285 22.699 3.951 1.00 54.56 O +ATOM 215 CB ASP A 173 23.235 25.483 4.397 1.00 56.70 C +ATOM 216 CG ASP A 173 24.754 25.387 4.303 1.00 58.76 C +ATOM 217 OD1 ASP A 173 25.293 24.935 3.265 1.00 54.48 O +ATOM 218 OD2 ASP A 173 25.414 25.777 5.292 1.00 59.80 O +ATOM 219 N ARG A 174 23.187 22.964 1.899 1.00 51.79 N +ATOM 220 CA ARG A 174 23.395 21.531 1.661 1.00 52.35 C +ATOM 221 C ARG A 174 24.882 21.186 1.544 1.00 51.98 C +ATOM 222 O ARG A 174 25.620 21.796 0.767 1.00 57.05 O +ATOM 223 CB ARG A 174 22.653 21.086 0.397 1.00 51.72 C +ATOM 224 N SER A 177 21.895 19.937 5.628 1.00 34.78 N +ATOM 225 CA SER A 177 20.896 18.917 5.283 1.00 28.61 C +ATOM 226 C SER A 177 21.323 17.514 5.681 1.00 18.74 C +ATOM 227 O SER A 177 22.253 16.963 5.096 1.00 24.62 O +ATOM 228 CB ASER A 177 20.618 18.945 3.789 0.50 24.70 C +ATOM 229 CB BSER A 177 20.591 18.935 3.788 0.50 25.97 C +ATOM 230 OG ASER A 177 19.676 19.944 3.531 0.50 14.69 O +ATOM 231 OG BSER A 177 19.750 17.842 3.472 0.50 33.45 O +ATOM 232 N ARG A 178 20.630 16.938 6.664 1.00 15.96 N +ATOM 233 CA ARG A 178 20.981 15.649 7.216 1.00 16.52 C +ATOM 234 C ARG A 178 19.759 14.733 7.260 1.00 19.14 C +ATOM 235 O ARG A 178 18.659 15.196 7.477 1.00 17.97 O +ATOM 236 CB ARG A 178 21.501 15.852 8.611 1.00 16.62 C +ATOM 237 CG ARG A 178 22.711 16.770 8.654 1.00 19.55 C +ATOM 238 CD ARG A 178 23.140 16.975 10.108 1.00 16.56 C +ATOM 239 NE ARG A 178 23.939 18.165 10.367 1.00 14.56 N +ATOM 240 CZ ARG A 178 25.254 18.192 10.594 1.00 10.78 C +ATOM 241 NH1 ARG A 178 25.942 17.067 10.666 1.00 10.84 N +ATOM 242 NH2 ARG A 178 25.830 19.315 10.877 1.00 13.63 N +ATOM 243 N PRO A 179 19.939 13.432 7.010 1.00 19.74 N +ATOM 244 CA PRO A 179 18.763 12.560 7.088 1.00 18.49 C +ATOM 245 C PRO A 179 18.103 12.607 8.438 1.00 17.48 C +ATOM 246 O PRO A 179 18.741 12.913 9.464 1.00 18.94 O +ATOM 247 CB PRO A 179 19.347 11.172 6.812 1.00 19.63 C +ATOM 248 CG PRO A 179 20.581 11.438 5.996 1.00 22.22 C +ATOM 249 CD PRO A 179 21.149 12.696 6.604 1.00 23.11 C +ATOM 250 N VAL A 180 16.812 12.282 8.462 1.00 17.50 N +ATOM 251 CA VAL A 180 16.054 12.167 9.684 1.00 17.66 C +ATOM 252 C VAL A 180 16.349 10.813 10.301 1.00 17.08 C +ATOM 253 O VAL A 180 16.275 9.745 9.654 1.00 16.80 O +ATOM 254 CB VAL A 180 14.530 12.333 9.428 1.00 19.13 C +ATOM 255 CG1 VAL A 180 13.753 12.132 10.701 1.00 19.67 C +ATOM 256 CG2 VAL A 180 14.254 13.703 8.804 1.00 17.67 C +ATOM 257 N VAL A 181 16.805 10.840 11.558 1.00 17.24 N +ATOM 258 CA VAL A 181 17.326 9.661 12.240 1.00 15.44 C +ATOM 259 C VAL A 181 16.664 9.553 13.604 1.00 18.60 C +ATOM 260 O VAL A 181 16.534 10.536 14.309 1.00 18.70 O +ATOM 261 CB VAL A 181 18.838 9.751 12.385 1.00 15.96 C +ATOM 262 CG1 VAL A 181 19.387 8.609 13.259 1.00 19.79 C +ATOM 263 CG2 VAL A 181 19.485 9.715 11.014 1.00 19.77 C +ATOM 264 N ILE A 182 16.243 8.352 13.970 1.00 18.64 N +ATOM 265 CA ILE A 182 15.630 8.122 15.276 1.00 21.09 C +ATOM 266 C ILE A 182 16.740 8.045 16.330 1.00 18.75 C +ATOM 267 O ILE A 182 17.755 7.353 16.150 1.00 21.56 O +ATOM 268 CB ILE A 182 14.698 6.892 15.215 1.00 25.34 C +ATOM 269 CG1 ILE A 182 13.432 7.286 14.409 1.00 24.44 C +ATOM 270 CG2 ILE A 182 14.354 6.420 16.666 1.00 23.48 C +ATOM 271 CD1 ILE A 182 12.660 6.172 13.717 1.00 36.26 C +ATOM 272 N THR A 183 16.587 8.834 17.413 1.00 17.63 N +ATOM 273 CA THR A 183 17.625 8.964 18.436 1.00 17.40 C +ATOM 274 C THR A 183 17.282 8.292 19.780 1.00 19.04 C +ATOM 275 O THR A 183 18.167 8.064 20.603 1.00 21.10 O +ATOM 276 CB THR A 183 17.984 10.423 18.751 1.00 18.77 C +ATOM 277 OG1 THR A 183 16.856 11.100 19.324 1.00 20.46 O +ATOM 278 CG2 THR A 183 18.464 11.195 17.491 1.00 19.40 C +ATOM 279 N SER A 184 16.013 7.931 19.969 1.00 19.29 N +ATOM 280 CA SER A 184 15.555 7.409 21.259 1.00 18.11 C +ATOM 281 C SER A 184 14.184 6.823 21.056 1.00 17.96 C +ATOM 282 O SER A 184 13.433 7.339 20.234 1.00 17.31 O +ATOM 283 CB SER A 184 15.460 8.536 22.287 1.00 17.77 C +ATOM 284 OG SER A 184 15.113 8.073 23.584 1.00 20.09 O +ATOM 285 N VAL A 185 13.867 5.767 21.805 1.00 17.82 N +ATOM 286 CA VAL A 185 12.562 5.119 21.779 1.00 18.24 C +ATOM 287 C VAL A 185 12.068 5.048 23.223 1.00 20.93 C +ATOM 288 O VAL A 185 12.784 4.591 24.109 1.00 20.73 O +ATOM 289 CB VAL A 185 12.710 3.747 21.170 1.00 15.58 C +ATOM 290 CG1 VAL A 185 11.393 2.998 21.341 1.00 18.19 C +ATOM 291 CG2 VAL A 185 13.040 3.837 19.687 1.00 18.08 C +ATOM 292 N ARG A 186 10.840 5.507 23.447 1.00 18.10 N +ATOM 293 CA ARG A 186 10.289 5.619 24.795 1.00 17.19 C +ATOM 294 C ARG A 186 9.768 4.269 25.255 1.00 17.94 C +ATOM 295 O ARG A 186 8.898 3.708 24.611 1.00 19.05 O +ATOM 296 CB ARG A 186 9.191 6.684 24.834 1.00 20.97 C +ATOM 297 CG ARG A 186 8.648 6.944 26.208 1.00 31.34 C +ATOM 298 CD AARG A 186 7.707 8.171 26.137 0.50 39.94 C +ATOM 299 CD BARG A 186 8.868 8.341 26.942 0.50 20.68 C +ATOM 300 NE AARG A 186 6.413 7.684 25.588 0.50 37.92 N +ATOM 301 NE BARG A 186 8.941 9.563 26.136 0.50 33.24 N +ATOM 302 CZ AARG A 186 5.606 8.296 24.712 0.50 23.17 C +ATOM 303 CZ BARG A 186 8.195 10.652 26.345 0.50 18.51 C +ATOM 304 NH1AARG A 186 5.888 9.482 24.177 0.50 23.20 N +ATOM 305 NH1BARG A 186 7.289 10.673 27.309 0.50 34.62 N +ATOM 306 NH2AARG A 186 4.481 7.679 24.355 0.50 21.97 N +ATOM 307 NH2BARG A 186 8.331 11.727 25.574 0.50 26.04 N +ATOM 308 N PRO A 187 10.296 3.745 26.372 1.00 19.06 N +ATOM 309 CA PRO A 187 9.801 2.487 26.916 1.00 23.57 C +ATOM 310 C PRO A 187 8.309 2.536 27.119 1.00 23.16 C +ATOM 311 O PRO A 187 7.775 3.525 27.620 1.00 22.28 O +ATOM 312 CB PRO A 187 10.515 2.369 28.255 1.00 24.65 C +ATOM 313 CG PRO A 187 11.736 3.093 28.071 1.00 27.58 C +ATOM 314 CD PRO A 187 11.381 4.272 27.201 1.00 21.71 C +ATOM 315 N GLY A 188 7.637 1.496 26.666 1.00 23.99 N +ATOM 316 CA GLY A 188 6.188 1.384 26.825 1.00 23.11 C +ATOM 317 C GLY A 188 5.340 2.059 25.759 1.00 20.85 C +ATOM 318 O GLY A 188 4.117 1.831 25.702 1.00 21.57 O +ATOM 319 N GLY A 189 5.971 2.895 24.931 1.00 18.88 N +ATOM 320 CA GLY A 189 5.301 3.612 23.864 1.00 18.83 C +ATOM 321 C GLY A 189 4.997 2.783 22.642 1.00 16.30 C +ATOM 322 O GLY A 189 5.365 1.615 22.579 1.00 19.38 O +ATOM 323 N PRO A 190 4.249 3.371 21.698 1.00 20.05 N +ATOM 324 CA PRO A 190 3.864 2.638 20.489 1.00 21.68 C +ATOM 325 C PRO A 190 5.058 2.070 19.741 1.00 18.76 C +ATOM 326 O PRO A 190 5.015 0.891 19.354 1.00 20.82 O +ATOM 327 CB PRO A 190 3.101 3.674 19.661 1.00 17.63 C +ATOM 328 CG PRO A 190 2.605 4.686 20.649 1.00 18.31 C +ATOM 329 CD PRO A 190 3.634 4.719 21.764 1.00 22.24 C +ATOM 330 N ALA A 191 6.121 2.859 19.561 1.00 17.08 N +ATOM 331 CA ALA A 191 7.309 2.335 18.840 1.00 18.89 C +ATOM 332 C ALA A 191 7.987 1.208 19.621 1.00 17.54 C +ATOM 333 O ALA A 191 8.488 0.251 19.003 1.00 19.71 O +ATOM 334 CB ALA A 191 8.294 3.441 18.534 1.00 19.88 C +ATOM 335 N ASP A 192 8.086 1.339 20.945 1.00 18.86 N +ATOM 336 CA ASP A 192 8.708 0.307 21.771 1.00 20.15 C +ATOM 337 C ASP A 192 7.908 -0.987 21.652 1.00 19.79 C +ATOM 338 O ASP A 192 8.458 -2.088 21.511 1.00 20.98 O +ATOM 339 CB ASP A 192 8.748 0.722 23.233 1.00 19.80 C +ATOM 340 CG ASP A 192 9.654 -0.185 24.082 1.00 27.05 C +ATOM 341 OD1 ASP A 192 10.704 -0.654 23.566 1.00 26.95 O +ATOM 342 OD2 ASP A 192 9.329 -0.397 25.276 1.00 24.59 O +ATOM 343 N ARG A 193 6.591 -0.849 21.727 1.00 18.43 N +ATOM 344 CA ARG A 193 5.751 -2.029 21.737 1.00 18.69 C +ATOM 345 C ARG A 193 5.691 -2.694 20.387 1.00 20.13 C +ATOM 346 O ARG A 193 5.584 -3.921 20.335 1.00 24.86 O +ATOM 347 CB ARG A 193 4.356 -1.747 22.311 1.00 20.96 C +ATOM 348 CG ARG A 193 4.232 -2.270 23.739 1.00 37.88 C +ATOM 349 CD ARG A 193 2.870 -2.019 24.319 1.00 40.51 C +ATOM 350 NE ARG A 193 2.727 -0.590 24.481 1.00 30.93 N +ATOM 351 CZ ARG A 193 2.013 0.214 23.702 1.00 20.64 C +ATOM 352 NH1 ARG A 193 2.016 1.495 23.986 1.00 30.69 N +ATOM 353 NH2 ARG A 193 1.265 -0.234 22.694 1.00 40.00 N +ATOM 354 N GLU A 194 5.764 -1.925 19.307 1.00 19.65 N +ATOM 355 CA GLU A 194 5.834 -2.563 17.968 1.00 21.77 C +ATOM 356 C GLU A 194 7.187 -3.278 17.810 1.00 23.10 C +ATOM 357 O GLU A 194 7.253 -4.327 17.206 1.00 24.07 O +ATOM 358 CB GLU A 194 5.526 -1.569 16.844 1.00 22.86 C +ATOM 359 CG GLU A 194 5.378 -2.203 15.470 1.00 21.05 C +ATOM 360 CD GLU A 194 6.714 -2.512 14.806 1.00 28.85 C +ATOM 361 OE1 GLU A 194 7.760 -2.089 15.325 1.00 25.54 O +ATOM 362 OE2 GLU A 194 6.698 -3.207 13.760 1.00 30.78 O +ATOM 363 N GLY A 195 8.258 -2.713 18.353 1.00 21.93 N +ATOM 364 CA GLY A 195 9.526 -3.429 18.606 1.00 20.78 C +ATOM 365 C GLY A 195 10.602 -3.297 17.537 1.00 21.54 C +ATOM 366 O GLY A 195 11.751 -3.621 17.792 1.00 24.25 O +ATOM 367 N THR A 196 10.254 -2.797 16.350 1.00 22.36 N +ATOM 368 CA THR A 196 11.236 -2.750 15.239 1.00 22.65 C +ATOM 369 C THR A 196 12.214 -1.593 15.339 1.00 21.72 C +ATOM 370 O THR A 196 13.428 -1.769 15.244 1.00 21.17 O +ATOM 371 CB THR A 196 10.524 -2.652 13.868 1.00 20.43 C +ATOM 372 OG1 THR A 196 9.560 -3.700 13.745 1.00 24.33 O +ATOM 373 CG2 THR A 196 11.523 -2.757 12.722 1.00 18.74 C +ATOM 374 N ILE A 197 11.685 -0.388 15.536 1.00 21.40 N +ATOM 375 CA ILE A 197 12.507 0.834 15.470 1.00 20.27 C +ATOM 376 C ILE A 197 13.525 0.849 16.615 1.00 19.50 C +ATOM 377 O ILE A 197 13.193 0.610 17.806 1.00 20.13 O +ATOM 378 CB ILE A 197 11.583 2.084 15.578 1.00 19.92 C +ATOM 379 CG1 ILE A 197 10.723 2.191 14.309 1.00 21.39 C +ATOM 380 CG2 ILE A 197 12.396 3.396 15.891 1.00 21.49 C +ATOM 381 CD1 ILE A 197 9.584 3.260 14.346 1.00 18.94 C +ATOM 382 N LYS A 198 14.751 1.230 16.274 1.00 18.51 N +ATOM 383 CA LYS A 198 15.789 1.411 17.209 1.00 19.86 C +ATOM 384 C LYS A 198 16.566 2.700 16.952 1.00 19.42 C +ATOM 385 O LYS A 198 16.670 3.172 15.809 1.00 18.63 O +ATOM 386 CB LYS A 198 16.784 0.258 17.072 1.00 21.31 C +ATOM 387 CG LYS A 198 16.218 -1.087 17.359 1.00 19.58 C +ATOM 388 CD LYS A 198 15.728 -1.188 18.807 1.00 22.41 C +ATOM 389 CE LYS A 198 15.117 -2.526 19.088 1.00 30.23 C +ATOM 390 NZ LYS A 198 14.702 -2.701 20.538 1.00 27.25 N +ATOM 391 N PRO A 199 17.196 3.259 18.009 1.00 17.67 N +ATOM 392 CA PRO A 199 18.058 4.385 17.773 1.00 19.82 C +ATOM 393 C PRO A 199 19.119 4.141 16.696 1.00 21.14 C +ATOM 394 O PRO A 199 19.694 3.023 16.624 1.00 21.74 O +ATOM 395 CB PRO A 199 18.691 4.629 19.137 1.00 21.29 C +ATOM 396 CG PRO A 199 17.748 4.074 20.088 1.00 19.95 C +ATOM 397 CD PRO A 199 17.181 2.880 19.424 1.00 17.57 C +ATOM 398 N GLY A 200 19.235 5.120 15.815 1.00 18.08 N +ATOM 399 CA GLY A 200 20.125 5.075 14.660 1.00 20.50 C +ATOM 400 C GLY A 200 19.442 4.690 13.355 1.00 20.33 C +ATOM 401 O GLY A 200 20.034 4.855 12.252 1.00 22.75 O +ATOM 402 N ASP A 201 18.197 4.219 13.439 1.00 18.72 N +ATOM 403 CA ASP A 201 17.461 3.921 12.196 1.00 20.62 C +ATOM 404 C ASP A 201 17.152 5.205 11.453 1.00 20.66 C +ATOM 405 O ASP A 201 16.880 6.239 12.076 1.00 20.61 O +ATOM 406 CB ASP A 201 16.152 3.180 12.459 1.00 18.53 C +ATOM 407 CG ASP A 201 16.369 1.751 12.999 1.00 18.19 C +ATOM 408 OD1 ASP A 201 17.555 1.296 12.932 1.00 21.31 O +ATOM 409 OD2 ASP A 201 15.368 1.175 13.436 1.00 20.58 O +ATOM 410 N ARG A 202 17.235 5.154 10.132 1.00 18.32 N +ATOM 411 CA ARG A 202 16.864 6.323 9.318 1.00 18.89 C +ATOM 412 C ARG A 202 15.366 6.275 9.012 1.00 21.39 C +ATOM 413 O ARG A 202 14.840 5.198 8.673 1.00 19.12 O +ATOM 414 CB ARG A 202 17.661 6.311 8.029 1.00 21.14 C +ATOM 415 CG ARG A 202 17.529 7.524 7.165 1.00 25.89 C +ATOM 416 CD ARG A 202 18.509 7.455 6.014 1.00 33.56 C +ATOM 417 NE ARG A 202 18.193 8.408 4.951 1.00 55.67 N +ATOM 418 CZ ARG A 202 18.832 8.467 3.783 1.00 75.48 C +ATOM 419 NH1 ARG A 202 19.828 7.624 3.518 1.00 73.82 N +ATOM 420 NH2 ARG A 202 18.476 9.368 2.871 1.00 83.20 N +ATOM 421 N LEU A 203 14.672 7.419 9.127 1.00 18.59 N +ATOM 422 CA LEU A 203 13.245 7.522 8.817 1.00 17.31 C +ATOM 423 C LEU A 203 13.109 8.152 7.420 1.00 16.68 C +ATOM 424 O LEU A 203 13.421 9.324 7.222 1.00 18.54 O +ATOM 425 CB LEU A 203 12.510 8.366 9.849 1.00 17.85 C +ATOM 426 CG LEU A 203 11.002 8.550 9.675 1.00 19.79 C +ATOM 427 CD1 LEU A 203 10.270 7.188 9.618 1.00 18.61 C +ATOM 428 CD2 LEU A 203 10.382 9.482 10.778 1.00 17.20 C +ATOM 429 N LEU A 204 12.696 7.350 6.440 1.00 18.29 N +ATOM 430 CA LEU A 204 12.631 7.800 5.066 1.00 16.81 C +ATOM 431 C LEU A 204 11.320 8.438 4.678 1.00 18.13 C +ATOM 432 O LEU A 204 11.312 9.359 3.867 1.00 19.20 O +ATOM 433 CB LEU A 204 12.825 6.596 4.148 1.00 20.09 C +ATOM 434 CG LEU A 204 14.104 5.785 4.276 1.00 23.60 C +ATOM 435 CD1 LEU A 204 14.036 4.643 3.279 1.00 24.59 C +ATOM 436 CD2 LEU A 204 15.321 6.677 4.016 1.00 28.71 C +ATOM 437 N SER A 205 10.229 7.893 5.193 1.00 15.13 N +ATOM 438 CA ASER A 205 8.898 8.346 4.804 0.33 16.32 C +ATOM 439 CA BSER A 205 8.884 8.273 4.759 0.33 15.97 C +ATOM 440 CA CSER A 205 8.889 8.312 4.784 0.33 16.68 C +ATOM 441 C SER A 205 7.835 8.053 5.859 1.00 19.07 C +ATOM 442 O SER A 205 7.953 7.136 6.689 1.00 18.46 O +ATOM 443 CB ASER A 205 8.481 7.699 3.486 0.33 19.23 C +ATOM 444 CB BSER A 205 8.493 7.463 3.510 0.33 18.24 C +ATOM 445 CB CSER A 205 8.483 7.601 3.487 0.33 19.51 C +ATOM 446 OG ASER A 205 7.944 6.417 3.732 0.33 18.94 O +ATOM 447 OG BSER A 205 9.427 7.631 2.449 0.33 15.79 O +ATOM 448 OG CSER A 205 7.182 7.991 3.073 0.33 20.97 O +ATOM 449 N VAL A 206 6.801 8.880 5.842 1.00 19.38 N +ATOM 450 CA VAL A 206 5.680 8.814 6.755 1.00 19.38 C +ATOM 451 C VAL A 206 4.414 8.864 5.880 1.00 21.30 C +ATOM 452 O VAL A 206 4.145 9.893 5.264 1.00 22.53 O +ATOM 453 CB VAL A 206 5.695 10.049 7.745 1.00 24.27 C +ATOM 454 CG1 VAL A 206 4.416 10.075 8.604 1.00 20.58 C +ATOM 455 CG2 VAL A 206 6.979 10.085 8.606 1.00 20.59 C +ATOM 456 N ASP A 207 3.712 7.735 5.734 1.00 21.98 N +ATOM 457 CA ASP A 207 2.536 7.612 4.840 1.00 23.49 C +ATOM 458 C ASP A 207 2.794 7.983 3.384 1.00 24.76 C +ATOM 459 O ASP A 207 1.954 8.621 2.728 1.00 25.92 O +ATOM 460 CB ASP A 207 1.368 8.444 5.368 1.00 31.60 C +ATOM 461 CG ASP A 207 0.854 7.950 6.691 1.00 35.42 C +ATOM 462 OD1 ASP A 207 0.943 6.729 6.930 1.00 33.77 O +ATOM 463 OD2 ASP A 207 0.328 8.780 7.469 1.00 38.03 O +ATOM 464 N GLY A 208 3.937 7.567 2.865 1.00 25.48 N +ATOM 465 CA GLY A 208 4.291 7.885 1.495 1.00 24.86 C +ATOM 466 C GLY A 208 4.712 9.328 1.298 1.00 26.31 C +ATOM 467 O GLY A 208 4.883 9.775 0.149 1.00 26.61 O +ATOM 468 N ILE A 209 4.863 10.079 2.389 1.00 17.46 N +ATOM 469 CA ILE A 209 5.460 11.382 2.277 1.00 18.11 C +ATOM 470 C ILE A 209 6.929 11.169 2.551 1.00 16.21 C +ATOM 471 O ILE A 209 7.294 10.874 3.676 1.00 17.29 O +ATOM 472 CB ILE A 209 4.840 12.426 3.268 1.00 17.66 C +ATOM 473 CG1 ILE A 209 3.318 12.518 3.090 1.00 23.73 C +ATOM 474 CG2 ILE A 209 5.506 13.771 3.058 1.00 22.02 C +ATOM 475 CD1 ILE A 209 2.582 12.969 4.323 1.00 26.37 C +ATOM 476 N ARG A 210 7.767 11.311 1.516 1.00 18.36 N +ATOM 477 CA ARG A 210 9.220 11.214 1.623 1.00 17.23 C +ATOM 478 C ARG A 210 9.760 12.396 2.453 1.00 18.03 C +ATOM 479 O ARG A 210 9.392 13.567 2.231 1.00 20.48 O +ATOM 480 CB ARG A 210 9.856 11.264 0.241 1.00 18.92 C +ATOM 481 CG ARG A 210 11.356 10.993 0.173 1.00 24.81 C +ATOM 482 CD AARG A 210 11.718 9.494 0.220 0.50 16.72 C +ATOM 483 CD BARG A 210 11.672 9.479 0.168 0.50 38.37 C +ATOM 484 NE AARG A 210 13.162 9.295 0.096 0.50 20.02 N +ATOM 485 NE BARG A 210 10.662 8.657 -0.522 0.50 27.46 N +ATOM 486 CZ AARG A 210 14.037 9.578 1.053 0.50 16.77 C +ATOM 487 CZ BARG A 210 10.458 8.622 -1.838 0.50 37.97 C +ATOM 488 NH1AARG A 210 13.617 10.055 2.216 0.50 13.24 N +ATOM 489 NH1BARG A 210 9.510 7.837 -2.340 0.50 37.24 N +ATOM 490 NH2AARG A 210 15.335 9.384 0.833 0.50 22.89 N +ATOM 491 NH2BARG A 210 11.171 9.372 -2.663 0.50 37.30 N +ATOM 492 N LEU A 211 10.644 12.107 3.411 1.00 15.30 N +ATOM 493 CA LEU A 211 11.276 13.153 4.224 1.00 14.83 C +ATOM 494 C LEU A 211 12.641 13.524 3.661 1.00 25.70 C +ATOM 495 O LEU A 211 13.632 13.681 4.378 1.00 28.33 O +ATOM 496 CB LEU A 211 11.443 12.621 5.645 1.00 14.52 C +ATOM 497 CG LEU A 211 10.209 12.147 6.434 1.00 17.10 C +ATOM 498 CD1 LEU A 211 10.599 11.898 7.928 1.00 16.67 C +ATOM 499 CD2 LEU A 211 9.042 13.097 6.394 1.00 16.24 C +ATOM 500 N LEU A 212 12.728 13.511 2.350 1.00 21.33 N +ATOM 501 CA LEU A 212 13.849 14.085 1.646 1.00 24.71 C +ATOM 502 C LEU A 212 13.401 15.490 1.353 1.00 23.95 C +ATOM 503 O LEU A 212 12.310 15.690 0.811 1.00 28.67 O +ATOM 504 CB LEU A 212 14.079 13.321 0.336 1.00 24.57 C +ATOM 505 CG LEU A 212 15.289 13.744 -0.500 1.00 24.73 C +ATOM 506 CD1 LEU A 212 16.541 13.514 0.315 1.00 24.43 C +ATOM 507 CD2 LEU A 212 15.362 12.978 -1.808 1.00 16.52 C +ATOM 508 N GLY A 213 14.218 16.471 1.709 1.00 25.45 N +ATOM 509 CA GLY A 213 13.908 17.872 1.427 1.00 22.41 C +ATOM 510 C GLY A 213 12.978 18.564 2.419 1.00 22.04 C +ATOM 511 O GLY A 213 12.747 19.751 2.307 1.00 25.65 O +ATOM 512 N THR A 214 12.434 17.812 3.375 1.00 17.41 N +ATOM 513 CA THR A 214 11.631 18.387 4.439 1.00 17.28 C +ATOM 514 C THR A 214 12.522 18.884 5.569 1.00 16.88 C +ATOM 515 O THR A 214 13.462 18.210 5.979 1.00 15.29 O +ATOM 516 CB THR A 214 10.627 17.356 5.036 1.00 17.48 C +ATOM 517 OG1 THR A 214 11.337 16.239 5.551 1.00 18.22 O +ATOM 518 CG2 THR A 214 9.593 16.889 4.008 1.00 16.86 C +ATOM 519 N THR A 215 12.212 20.066 6.086 1.00 15.94 N +ATOM 520 CA THR A 215 12.915 20.584 7.243 1.00 15.60 C +ATOM 521 C THR A 215 12.559 19.751 8.482 1.00 16.09 C +ATOM 522 O THR A 215 11.585 19.000 8.498 1.00 16.93 O +ATOM 523 CB THR A 215 12.550 22.043 7.529 1.00 14.05 C +ATOM 524 OG1 THR A 215 11.183 22.138 7.950 1.00 19.96 O +ATOM 525 CG2 THR A 215 12.794 22.930 6.342 1.00 18.79 C +ATOM 526 N HIS A 216 13.322 19.926 9.561 1.00 17.51 N +ATOM 527 CA HIS A 216 13.005 19.268 10.823 1.00 17.89 C +ATOM 528 C HIS A 216 11.574 19.596 11.254 1.00 16.92 C +ATOM 529 O HIS A 216 10.793 18.708 11.644 1.00 17.79 O +ATOM 530 CB HIS A 216 14.007 19.706 11.897 1.00 17.56 C +ATOM 531 CG HIS A 216 13.852 18.960 13.186 1.00 18.43 C +ATOM 532 ND1 HIS A 216 14.387 17.710 13.376 1.00 16.65 N +ATOM 533 CD2 HIS A 216 13.174 19.262 14.322 1.00 19.58 C +ATOM 534 CE1 HIS A 216 14.076 17.282 14.591 1.00 16.99 C +ATOM 535 NE2 HIS A 216 13.311 18.195 15.176 1.00 18.81 N +ATOM 536 N ALA A 217 11.225 20.877 11.197 1.00 16.77 N +ATOM 537 CA ALA A 217 9.917 21.302 11.625 1.00 17.94 C +ATOM 538 C ALA A 217 8.812 20.687 10.745 1.00 15.45 C +ATOM 539 O ALA A 217 7.759 20.296 11.240 1.00 19.73 O +ATOM 540 CB ALA A 217 9.847 22.818 11.612 1.00 17.70 C +ATOM 541 N GLU A 218 9.067 20.553 9.446 1.00 16.23 N +ATOM 542 CA GLU A 218 8.083 19.934 8.523 1.00 15.62 C +ATOM 543 C GLU A 218 7.927 18.434 8.845 1.00 15.35 C +ATOM 544 O GLU A 218 6.804 17.908 8.855 1.00 18.29 O +ATOM 545 CB GLU A 218 8.485 20.140 7.062 1.00 20.13 C +ATOM 546 CG GLU A 218 8.309 21.587 6.584 1.00 16.08 C +ATOM 547 CD GLU A 218 9.036 21.899 5.269 1.00 17.45 C +ATOM 548 OE1 GLU A 218 9.899 21.123 4.838 1.00 19.50 O +ATOM 549 OE2 GLU A 218 8.733 22.940 4.638 1.00 29.19 O +ATOM 550 N ALA A 219 9.049 17.748 9.083 1.00 16.60 N +ATOM 551 CA ALA A 219 9.006 16.333 9.495 1.00 12.78 C +ATOM 552 C ALA A 219 8.225 16.157 10.786 1.00 16.41 C +ATOM 553 O ALA A 219 7.379 15.267 10.880 1.00 18.50 O +ATOM 554 CB ALA A 219 10.433 15.760 9.639 1.00 20.56 C +ATOM 555 N MET A 220 8.494 17.000 11.798 1.00 17.96 N +ATOM 556 CA MET A 220 7.726 16.944 13.054 1.00 22.38 C +ATOM 557 C MET A 220 6.226 17.157 12.791 1.00 18.85 C +ATOM 558 O MET A 220 5.382 16.414 13.320 1.00 20.79 O +ATOM 559 CB MET A 220 8.311 17.925 14.120 1.00 28.68 C +ATOM 560 CG MET A 220 7.606 19.261 14.285 1.00 38.64 C +ATOM 561 SD MET A 220 6.045 19.157 15.209 1.00 44.99 S +ATOM 562 CE MET A 220 5.086 20.492 14.475 1.00 51.47 C +ATOM 563 N SER A 221 5.877 18.123 11.935 1.00 16.35 N +ATOM 564 CA SER A 221 4.474 18.427 11.635 1.00 17.63 C +ATOM 565 C SER A 221 3.811 17.286 10.888 1.00 17.64 C +ATOM 566 O SER A 221 2.635 16.973 11.108 1.00 21.19 O +ATOM 567 CB SER A 221 4.371 19.722 10.839 1.00 22.72 C +ATOM 568 OG SER A 221 5.032 20.761 11.536 1.00 35.49 O +ATOM 569 N ILE A 222 4.570 16.650 9.995 1.00 18.73 N +ATOM 570 CA ILE A 222 4.080 15.473 9.281 1.00 19.54 C +ATOM 571 C ILE A 222 3.706 14.343 10.241 1.00 13.16 C +ATOM 572 O ILE A 222 2.613 13.738 10.120 1.00 17.45 O +ATOM 573 CB ILE A 222 5.114 14.986 8.211 1.00 19.71 C +ATOM 574 CG1 ILE A 222 5.094 15.960 7.037 1.00 15.66 C +ATOM 575 CG2 ILE A 222 4.797 13.558 7.733 1.00 17.33 C +ATOM 576 CD1 ILE A 222 6.209 15.820 6.065 1.00 19.07 C +ATOM 577 N LEU A 223 4.598 14.085 11.196 1.00 16.91 N +ATOM 578 CA LEU A 223 4.379 13.070 12.234 1.00 17.57 C +ATOM 579 C LEU A 223 3.192 13.439 13.140 1.00 17.34 C +ATOM 580 O LEU A 223 2.416 12.555 13.541 1.00 21.56 O +ATOM 581 CB LEU A 223 5.658 12.848 13.031 1.00 21.21 C +ATOM 582 CG LEU A 223 6.695 12.069 12.206 1.00 19.12 C +ATOM 583 CD1 LEU A 223 8.112 12.361 12.639 1.00 20.70 C +ATOM 584 CD2 LEU A 223 6.382 10.572 12.281 1.00 18.87 C +ATOM 585 N LYS A 224 3.069 14.729 13.447 1.00 19.18 N +ATOM 586 CA LYS A 224 1.946 15.227 14.286 1.00 19.26 C +ATOM 587 C LYS A 224 0.580 15.102 13.614 1.00 27.22 C +ATOM 588 O LYS A 224 -0.418 14.778 14.265 1.00 24.27 O +ATOM 589 CB LYS A 224 2.220 16.682 14.711 1.00 20.26 C +ATOM 590 CG LYS A 224 1.220 17.279 15.700 1.00 24.56 C +ATOM 591 N GLN A 225 0.538 15.320 12.304 1.00 22.05 N +ATOM 592 CA GLN A 225 -0.715 15.433 11.597 1.00 22.63 C +ATOM 593 C GLN A 225 -1.176 14.153 10.911 1.00 21.06 C +ATOM 594 O GLN A 225 -2.288 14.111 10.383 1.00 20.45 O +ATOM 595 CB GLN A 225 -0.646 16.604 10.625 1.00 22.47 C +ATOM 596 CG GLN A 225 -0.560 17.936 11.366 1.00 37.66 C +ATOM 597 CD GLN A 225 -0.196 19.100 10.480 1.00 49.27 C +ATOM 598 OE1 GLN A 225 0.277 20.132 10.963 1.00 58.80 O +ATOM 599 NE2 GLN A 225 -0.417 18.950 9.177 1.00 58.91 N +ATOM 600 N CYS A 226 -0.371 13.096 10.938 1.00 23.27 N +ATOM 601 CA CYS A 226 -0.805 11.885 10.253 1.00 23.26 C +ATOM 602 C CYS A 226 -1.821 11.091 11.096 1.00 21.04 C +ATOM 603 O CYS A 226 -1.955 11.309 12.306 1.00 22.88 O +ATOM 604 CB CYS A 226 0.384 11.031 9.855 1.00 26.01 C +ATOM 605 SG CYS A 226 1.259 10.375 11.224 1.00 25.95 S +ATOM 606 N GLY A 227 -2.577 10.207 10.449 1.00 18.70 N +ATOM 607 CA GLY A 227 -3.596 9.425 11.163 1.00 22.00 C +ATOM 608 C GLY A 227 -2.994 8.603 12.298 1.00 22.03 C +ATOM 609 O GLY A 227 -1.759 8.432 12.366 1.00 19.78 O +ATOM 610 N GLN A 228 -3.858 8.107 13.188 1.00 22.10 N +ATOM 611 CA GLN A 228 -3.429 7.288 14.335 1.00 24.24 C +ATOM 612 C GLN A 228 -2.621 6.066 13.872 1.00 24.23 C +ATOM 613 O GLN A 228 -1.540 5.835 14.385 1.00 26.73 O +ATOM 614 CB GLN A 228 -4.628 6.869 15.209 1.00 30.88 C +ATOM 615 N GLU A 229 -3.148 5.319 12.894 1.00 20.79 N +ATOM 616 CA GLU A 229 -2.388 4.278 12.195 1.00 24.02 C +ATOM 617 C GLU A 229 -1.572 4.918 11.061 1.00 27.03 C +ATOM 618 O GLU A 229 -2.124 5.509 10.134 1.00 27.65 O +ATOM 619 CB GLU A 229 -3.307 3.171 11.657 1.00 31.60 C +ATOM 620 CG GLU A 229 -2.560 1.937 11.108 1.00 32.09 C +ATOM 621 CD GLU A 229 -3.499 0.867 10.561 1.00 39.65 C +ATOM 622 OE1 GLU A 229 -3.027 -0.238 10.209 1.00 47.95 O +ATOM 623 OE2 GLU A 229 -4.714 1.135 10.473 1.00 38.54 O +ATOM 624 N ALA A 230 -0.257 4.779 11.155 1.00 21.82 N +ATOM 625 CA ALA A 230 0.704 5.387 10.212 1.00 19.42 C +ATOM 626 C ALA A 230 1.721 4.338 9.743 1.00 21.31 C +ATOM 627 O ALA A 230 2.217 3.542 10.542 1.00 21.90 O +ATOM 628 CB ALA A 230 1.441 6.564 10.835 1.00 22.72 C +ATOM 629 N ALA A 231 1.994 4.333 8.441 1.00 19.53 N +ATOM 630 CA ALA A 231 3.073 3.520 7.869 1.00 20.10 C +ATOM 631 C ALA A 231 4.350 4.343 7.792 1.00 16.45 C +ATOM 632 O ALA A 231 4.404 5.370 7.120 1.00 22.24 O +ATOM 633 CB ALA A 231 2.670 3.022 6.482 1.00 16.66 C +ATOM 634 N LEU A 232 5.377 3.904 8.506 1.00 17.02 N +ATOM 635 CA LEU A 232 6.671 4.554 8.507 1.00 20.02 C +ATOM 636 C LEU A 232 7.658 3.653 7.750 1.00 25.21 C +ATOM 637 O LEU A 232 7.727 2.460 7.993 1.00 25.60 O +ATOM 638 CB LEU A 232 7.144 4.734 9.941 1.00 20.63 C +ATOM 639 CG LEU A 232 6.162 5.368 10.931 1.00 22.94 C +ATOM 640 CD1 LEU A 232 6.885 5.552 12.265 1.00 24.37 C +ATOM 641 CD2 LEU A 232 5.612 6.702 10.438 1.00 23.62 C +ATOM 642 N LEU A 233 8.406 4.232 6.824 1.00 18.54 N +ATOM 643 CA LEU A 233 9.440 3.499 6.146 1.00 17.40 C +ATOM 644 C LEU A 233 10.761 3.866 6.796 1.00 20.25 C +ATOM 645 O LEU A 233 11.144 5.045 6.813 1.00 18.34 O +ATOM 646 CB LEU A 233 9.474 3.860 4.689 1.00 18.75 C +ATOM 647 CG LEU A 233 10.213 2.905 3.798 1.00 25.92 C +ATOM 648 CD1 LEU A 233 9.421 1.591 3.703 1.00 24.49 C +ATOM 649 CD2 LEU A 233 10.367 3.547 2.431 1.00 27.03 C +ATOM 650 N ILE A 234 11.436 2.878 7.378 1.00 17.87 N +ATOM 651 CA ILE A 234 12.755 3.091 7.961 1.00 17.06 C +ATOM 652 C ILE A 234 13.821 2.278 7.201 1.00 19.34 C +ATOM 653 O ILE A 234 13.521 1.405 6.393 1.00 18.20 O +ATOM 654 CB ILE A 234 12.790 2.713 9.462 1.00 18.98 C +ATOM 655 CG1 ILE A 234 12.476 1.216 9.665 1.00 18.88 C +ATOM 656 CG2 ILE A 234 11.730 3.519 10.253 1.00 19.57 C +ATOM 657 CD1 ILE A 234 12.553 0.733 11.131 1.00 23.95 C +ATOM 658 N GLU A 235 15.080 2.578 7.472 1.00 17.00 N +ATOM 659 CA GLU A 235 16.139 1.955 6.731 1.00 17.14 C +ATOM 660 C GLU A 235 17.233 1.618 7.745 1.00 18.19 C +ATOM 661 O GLU A 235 17.612 2.468 8.584 1.00 19.52 O +ATOM 662 CB GLU A 235 16.623 2.898 5.623 1.00 19.50 C +ATOM 663 CG GLU A 235 17.789 2.387 4.835 1.00 21.69 C +ATOM 664 CD GLU A 235 18.120 3.280 3.652 1.00 26.71 C +ATOM 665 OE1 GLU A 235 18.404 4.470 3.895 1.00 29.78 O +ATOM 666 OE2 GLU A 235 18.136 2.779 2.511 1.00 31.53 O +ATOM 667 N TYR A 236 17.655 0.351 7.726 1.00 17.68 N +ATOM 668 CA TYR A 236 18.759 -0.110 8.585 1.00 18.24 C +ATOM 669 C TYR A 236 19.293 -1.412 8.033 1.00 18.41 C +ATOM 670 O TYR A 236 18.826 -1.906 7.031 1.00 18.02 O +ATOM 671 CB TYR A 236 18.322 -0.264 10.059 1.00 18.92 C +ATOM 672 CG TYR A 236 17.191 -1.281 10.238 1.00 18.75 C +ATOM 673 CD1 TYR A 236 17.474 -2.604 10.589 1.00 19.22 C +ATOM 674 CD2 TYR A 236 15.840 -0.934 10.052 1.00 17.62 C +ATOM 675 CE1 TYR A 236 16.465 -3.515 10.747 1.00 14.95 C +ATOM 676 CE2 TYR A 236 14.818 -1.832 10.234 1.00 21.52 C +ATOM 677 CZ TYR A 236 15.111 -3.152 10.563 1.00 16.49 C +ATOM 678 OH TYR A 236 14.033 -4.032 10.744 1.00 19.42 O +ATOM 679 N ASP A 237 20.307 -1.940 8.699 1.00 16.48 N +ATOM 680 CA ASP A 237 20.943 -3.178 8.252 1.00 18.05 C +ATOM 681 C ASP A 237 20.104 -4.387 8.689 1.00 17.25 C +ATOM 682 O ASP A 237 20.144 -4.783 9.852 1.00 19.26 O +ATOM 683 CB ASP A 237 22.329 -3.262 8.860 1.00 21.13 C +ATOM 684 CG ASP A 237 23.142 -4.408 8.322 1.00 23.74 C +ATOM 685 OD1 ASP A 237 22.699 -5.095 7.368 1.00 25.91 O +ATOM 686 OD2 ASP A 237 24.251 -4.584 8.857 1.00 33.54 O +ATOM 687 N VAL A 238 19.315 -4.922 7.757 1.00 18.06 N +ATOM 688 CA VAL A 238 18.360 -5.984 8.026 1.00 16.32 C +ATOM 689 C VAL A 238 18.961 -7.362 7.712 1.00 19.29 C +ATOM 690 O VAL A 238 19.616 -7.535 6.669 1.00 17.79 O +ATOM 691 CB VAL A 238 17.100 -5.786 7.160 1.00 20.28 C +ATOM 692 CG1 VAL A 238 16.086 -6.929 7.388 1.00 21.80 C +ATOM 693 CG2 VAL A 238 16.442 -4.464 7.441 1.00 21.43 C +ATOM 694 N SER A 239 18.730 -8.316 8.628 1.00 15.35 N +ATOM 695 CA SER A 239 19.006 -9.700 8.460 1.00 14.00 C +ATOM 696 C SER A 239 17.686 -10.362 8.068 1.00 14.96 C +ATOM 697 O SER A 239 16.691 -10.218 8.786 1.00 17.66 O +ATOM 698 CB SER A 239 19.532 -10.341 9.744 1.00 17.33 C +ATOM 699 OG SER A 239 20.807 -9.825 10.116 1.00 21.78 O +ATOM 700 N GLU A 240 17.681 -10.977 6.901 1.00 15.25 N +ATOM 701 CA GLU A 240 16.476 -11.573 6.353 1.00 19.11 C +ATOM 702 C GLU A 240 16.812 -12.861 5.670 1.00 17.74 C +ATOM 703 O GLU A 240 17.742 -12.900 4.840 1.00 17.34 O +ATOM 704 CB GLU A 240 15.862 -10.610 5.358 1.00 22.02 C +ATOM 705 CG GLU A 240 14.512 -11.014 4.874 1.00 33.54 C +ATOM 706 CD GLU A 240 13.769 -9.865 4.263 1.00 37.42 C +ATOM 707 OE1 GLU A 240 14.250 -9.298 3.245 1.00 28.86 O +ATOM 708 OE2 GLU A 240 12.690 -9.544 4.801 1.00 40.34 O +ATOM 709 N THR A 241 16.062 -13.932 5.971 1.00 13.46 N +ATOM 710 CA THR A 241 16.336 -15.278 5.475 1.00 15.11 C +ATOM 711 C THR A 241 15.013 -15.994 5.122 1.00 14.57 C +ATOM 712 O THR A 241 14.023 -15.894 5.885 1.00 14.45 O +ATOM 713 CB THR A 241 17.114 -16.138 6.527 1.00 15.64 C +ATOM 714 OG1 THR A 241 18.316 -15.457 6.916 1.00 14.57 O +ATOM 715 CG2 THR A 241 17.455 -17.485 5.998 1.00 15.74 C +ATOM 716 N ALA A 242 14.957 -16.642 3.966 1.00 10.23 N +ATOM 717 CA ALA A 242 13.856 -17.507 3.666 1.00 8.11 C +ATOM 718 C ALA A 242 13.979 -18.814 4.449 1.00 13.92 C +ATOM 719 O ALA A 242 15.022 -19.480 4.425 1.00 15.79 O +ATOM 720 CB ALA A 242 13.795 -17.741 2.168 1.00 10.21 C +ATOM 721 N VAL A 243 12.886 -19.197 5.120 1.00 16.29 N +ATOM 722 CA VAL A 243 12.858 -20.418 5.911 1.00 14.53 C +ATOM 723 C VAL A 243 11.663 -21.289 5.580 1.00 12.94 C +ATOM 724 O VAL A 243 10.840 -20.974 4.682 1.00 19.92 O +ATOM 725 CB VAL A 243 12.785 -20.094 7.428 1.00 13.57 C +ATOM 726 CG1 VAL A 243 14.065 -19.339 7.882 1.00 15.42 C +ATOM 727 CG2 VAL A 243 11.553 -19.236 7.773 1.00 20.24 C +ATOM 728 OXT VAL A 243 11.505 -22.392 6.154 1.00 23.29 O Added: SwiftApps/modFTdock/input/2jil-2.pdb =================================================================== --- SwiftApps/modFTdock/input/2jil-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/2jil-2.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,727 @@ +ATOM 1 N SER B -1 20.459 22.567 19.370 1.00 22.79 N +ATOM 2 CA SER B -1 21.447 22.860 20.452 1.00 22.36 C +ATOM 3 C SER B -1 22.696 22.055 20.183 1.00 19.08 C +ATOM 4 O SER B -1 22.616 21.016 19.560 1.00 19.37 O +ATOM 5 CB SER B -1 20.907 22.460 21.831 1.00 24.58 C +ATOM 6 OG SER B -1 19.636 23.026 22.085 1.00 38.50 O +ATOM 7 N MET B 0 23.843 22.484 20.710 1.00 19.22 N +ATOM 8 CA MET B 0 25.033 21.712 20.497 1.00 15.88 C +ATOM 9 C MET B 0 24.837 20.357 21.157 1.00 16.53 C +ATOM 10 O MET B 0 24.380 20.286 22.298 1.00 18.23 O +ATOM 11 CB MET B 0 26.205 22.397 21.169 1.00 18.89 C +ATOM 12 CG AMET B 0 26.988 23.482 20.407 0.50 18.55 C +ATOM 13 CG BMET B 0 27.624 22.143 20.596 0.50 17.84 C +ATOM 14 SD AMET B 0 27.142 23.372 18.626 0.50 28.13 S +ATOM 15 SD BMET B 0 27.850 22.363 18.844 0.50 26.70 S +ATOM 16 CE AMET B 0 28.234 21.956 18.583 0.50 23.10 C +ATOM 17 CE BMET B 0 26.716 23.761 18.730 0.50 11.34 C +ATOM 18 N ARG B 149 25.212 19.298 20.441 1.00 16.69 N +ATOM 19 CA ARG B 149 25.020 17.927 20.927 1.00 15.78 C +ATOM 20 C ARG B 149 26.126 17.048 20.373 1.00 15.95 C +ATOM 21 O ARG B 149 26.601 17.265 19.258 1.00 17.74 O +ATOM 22 CB ARG B 149 23.675 17.445 20.428 1.00 19.18 C +ATOM 23 CG ARG B 149 23.082 16.170 21.015 1.00 18.93 C +ATOM 24 CD ARG B 149 22.123 15.593 20.030 1.00 23.25 C +ATOM 25 NE ARG B 149 21.272 14.480 20.495 1.00 22.83 N +ATOM 26 CZ ARG B 149 21.557 13.181 20.385 1.00 24.24 C +ATOM 27 NH1 ARG B 149 22.752 12.744 19.984 1.00 24.24 N +ATOM 28 NH2 ARG B 149 20.631 12.294 20.710 1.00 21.51 N +ATOM 29 N THR B 150 26.452 16.033 21.183 1.00 16.00 N +ATOM 30 CA THR B 150 27.353 14.969 20.765 1.00 15.99 C +ATOM 31 C THR B 150 26.542 13.854 20.124 1.00 16.93 C +ATOM 32 O THR B 150 25.544 13.382 20.717 1.00 18.18 O +ATOM 33 CB THR B 150 28.164 14.493 21.962 1.00 17.17 C +ATOM 34 OG1 THR B 150 28.926 15.615 22.473 1.00 18.18 O +ATOM 35 CG2 THR B 150 29.100 13.334 21.632 1.00 19.66 C +ATOM 36 N VAL B 151 26.975 13.420 18.943 1.00 16.81 N +ATOM 37 CA VAL B 151 26.230 12.459 18.159 1.00 18.01 C +ATOM 38 C VAL B 151 27.156 11.301 17.774 1.00 18.29 C +ATOM 39 O VAL B 151 28.288 11.514 17.332 1.00 17.91 O +ATOM 40 CB VAL B 151 25.644 13.110 16.871 1.00 18.48 C +ATOM 41 CG1 VAL B 151 24.984 12.037 15.973 1.00 18.89 C +ATOM 42 CG2 VAL B 151 24.657 14.254 17.238 1.00 20.46 C +ATOM 43 N GLU B 152 26.667 10.062 17.922 1.00 17.15 N +ATOM 44 CA GLU B 152 27.430 8.897 17.553 1.00 17.33 C +ATOM 45 C GLU B 152 27.051 8.439 16.138 1.00 19.74 C +ATOM 46 O GLU B 152 25.870 8.221 15.863 1.00 23.23 O +ATOM 47 CB GLU B 152 27.189 7.754 18.542 1.00 22.34 C +ATOM 48 CG GLU B 152 27.954 6.483 18.228 1.00 26.17 C +ATOM 49 CD GLU B 152 27.614 5.367 19.196 1.00 27.84 C +ATOM 50 OE1 GLU B 152 26.783 4.499 18.846 1.00 37.23 O +ATOM 51 OE2 GLU B 152 28.156 5.387 20.314 1.00 35.03 O +ATOM 52 N VAL B 153 28.072 8.321 15.288 1.00 18.16 N +ATOM 53 CA VAL B 153 27.982 7.847 13.905 1.00 22.04 C +ATOM 54 C VAL B 153 28.883 6.610 13.763 1.00 17.91 C +ATOM 55 O VAL B 153 30.097 6.685 14.006 1.00 22.03 O +ATOM 56 CB VAL B 153 28.474 8.938 12.924 1.00 20.11 C +ATOM 57 CG1 VAL B 153 28.539 8.405 11.457 1.00 32.13 C +ATOM 58 CG2 VAL B 153 27.572 10.172 12.939 1.00 26.90 C +ATOM 59 N THR B 154 28.324 5.517 13.230 1.00 20.54 N +ATOM 60 CA THR B 154 29.115 4.332 12.919 1.00 19.75 C +ATOM 61 C THR B 154 29.329 4.245 11.396 1.00 20.13 C +ATOM 62 O THR B 154 28.371 4.287 10.637 1.00 20.96 O +ATOM 63 CB THR B 154 28.444 3.013 13.448 1.00 22.48 C +ATOM 64 OG1 THR B 154 28.290 3.070 14.882 1.00 22.62 O +ATOM 65 CG2 THR B 154 29.274 1.773 13.039 1.00 23.05 C +ATOM 66 N LEU B 155 30.587 4.198 10.986 1.00 19.19 N +ATOM 67 CA LEU B 155 30.958 4.087 9.568 1.00 18.64 C +ATOM 68 C LEU B 155 31.704 2.781 9.323 1.00 21.48 C +ATOM 69 O LEU B 155 32.454 2.287 10.158 1.00 17.96 O +ATOM 70 CB LEU B 155 31.858 5.243 9.134 1.00 19.95 C +ATOM 71 CG LEU B 155 31.332 6.672 9.267 1.00 20.07 C +ATOM 72 CD1 LEU B 155 32.334 7.663 8.668 1.00 20.75 C +ATOM 73 CD2 LEU B 155 29.957 6.834 8.660 1.00 25.23 C +ATOM 74 N HIS B 156 31.536 2.239 8.129 1.00 22.22 N +ATOM 75 CA HIS B 156 32.295 1.066 7.730 1.00 19.68 C +ATOM 76 C HIS B 156 33.236 1.503 6.611 1.00 27.56 C +ATOM 77 O HIS B 156 32.775 1.994 5.580 1.00 22.18 O +ATOM 78 CB HIS B 156 31.348 -0.043 7.254 1.00 28.48 C +ATOM 79 CG HIS B 156 30.309 -0.420 8.265 1.00 34.51 C +ATOM 80 ND1 HIS B 156 30.379 -1.582 9.003 1.00 36.83 N +ATOM 81 CD2 HIS B 156 29.176 0.213 8.663 1.00 33.07 C +ATOM 82 CE1 HIS B 156 29.336 -1.644 9.815 1.00 48.06 C +ATOM 83 NE2 HIS B 156 28.594 -0.565 9.632 1.00 35.73 N +ATOM 84 N LYS B 157 34.542 1.366 6.846 1.00 24.31 N +ATOM 85 CA LYS B 157 35.544 1.858 5.916 1.00 28.92 C +ATOM 86 C LYS B 157 35.474 1.082 4.615 1.00 29.16 C +ATOM 87 O LYS B 157 35.278 -0.152 4.600 1.00 31.30 O +ATOM 88 CB LYS B 157 36.966 1.711 6.476 1.00 25.42 C +ATOM 89 CG LYS B 157 37.322 2.591 7.667 1.00 35.85 C +ATOM 90 CD LYS B 157 38.564 2.030 8.376 1.00 45.38 C +ATOM 91 CE LYS B 157 39.484 3.110 8.911 1.00 26.10 C +ATOM 92 NZ LYS B 157 40.785 2.566 9.438 1.00 25.33 N +ATOM 93 N GLU B 158 35.650 1.811 3.516 1.00 34.71 N +ATOM 94 CA GLU B 158 36.000 1.206 2.228 1.00 32.45 C +ATOM 95 C GLU B 158 37.497 1.422 2.053 1.00 32.29 C +ATOM 96 O GLU B 158 37.958 2.573 2.043 1.00 27.74 O +ATOM 97 CB GLU B 158 35.278 1.905 1.077 1.00 39.61 C +ATOM 98 CG GLU B 158 33.770 1.881 1.126 1.00 26.01 C +ATOM 99 CD GLU B 158 33.172 2.486 -0.140 1.00 37.56 C +ATOM 100 N GLY B 159 38.251 0.330 1.931 1.00 29.04 N +ATOM 101 CA GLY B 159 39.695 0.408 1.734 1.00 31.76 C +ATOM 102 C GLY B 159 40.400 1.280 2.755 1.00 33.43 C +ATOM 103 O GLY B 159 41.192 2.161 2.399 1.00 35.46 O +ATOM 104 N ASN B 160 40.085 1.047 4.026 1.00 35.08 N +ATOM 105 CA ASN B 160 40.682 1.781 5.157 1.00 36.40 C +ATOM 106 C ASN B 160 40.509 3.318 5.175 1.00 32.99 C +ATOM 107 O ASN B 160 41.174 4.010 5.962 1.00 33.95 O +ATOM 108 CB ASN B 160 42.173 1.421 5.302 1.00 38.04 C +ATOM 109 CG ASN B 160 42.669 1.545 6.745 1.00 34.21 C +ATOM 110 OD1 ASN B 160 42.058 1.001 7.672 1.00 36.71 O +ATOM 111 ND2 ASN B 160 43.783 2.256 6.936 1.00 28.01 N +ATOM 112 N THR B 161 39.618 3.847 4.335 1.00 31.99 N +ATOM 113 CA THR B 161 39.276 5.277 4.348 1.00 29.74 C +ATOM 114 C THR B 161 37.798 5.458 4.706 1.00 24.36 C +ATOM 115 O THR B 161 36.959 4.611 4.385 1.00 24.87 O +ATOM 116 CB ATHR B 161 39.553 5.957 2.992 0.50 32.34 C +ATOM 117 CB BTHR B 161 39.560 5.926 2.970 0.50 31.98 C +ATOM 118 OG1ATHR B 161 38.494 5.663 2.071 0.50 38.39 O +ATOM 119 OG1BTHR B 161 39.654 7.345 3.109 0.50 27.12 O +ATOM 120 CG2ATHR B 161 40.877 5.480 2.422 0.50 35.18 C +ATOM 121 CG2BTHR B 161 38.465 5.595 1.963 0.50 35.82 C +ATOM 122 N PHE B 162 37.478 6.570 5.356 1.00 19.83 N +ATOM 123 CA PHE B 162 36.109 6.902 5.703 1.00 19.66 C +ATOM 124 C PHE B 162 35.471 7.869 4.684 1.00 19.07 C +ATOM 125 O PHE B 162 34.265 8.047 4.702 1.00 18.58 O +ATOM 126 CB PHE B 162 36.033 7.528 7.087 1.00 20.76 C +ATOM 127 CG PHE B 162 36.238 6.571 8.239 1.00 28.34 C +ATOM 128 CD1 PHE B 162 35.252 5.659 8.588 1.00 29.54 C +ATOM 129 CD2 PHE B 162 37.395 6.638 9.019 1.00 24.64 C +ATOM 130 CE1 PHE B 162 35.429 4.797 9.666 1.00 34.60 C +ATOM 131 CE2 PHE B 162 37.571 5.798 10.106 1.00 30.05 C +ATOM 132 CZ PHE B 162 36.586 4.875 10.433 1.00 29.52 C +ATOM 133 N GLY B 163 36.264 8.554 3.857 1.00 19.07 N +ATOM 134 CA GLY B 163 35.715 9.454 2.852 1.00 19.45 C +ATOM 135 C GLY B 163 35.339 10.816 3.426 1.00 17.56 C +ATOM 136 O GLY B 163 34.299 11.382 3.090 1.00 19.89 O +ATOM 137 N PHE B 164 36.201 11.364 4.279 1.00 19.05 N +ATOM 138 CA PHE B 164 36.076 12.745 4.686 1.00 17.12 C +ATOM 139 C PHE B 164 37.475 13.340 4.939 1.00 19.78 C +ATOM 140 O PHE B 164 38.475 12.605 4.994 1.00 17.94 O +ATOM 141 CB PHE B 164 35.107 12.946 5.871 1.00 18.48 C +ATOM 142 CG PHE B 164 35.498 12.250 7.169 1.00 19.40 C +ATOM 143 CD1 PHE B 164 36.388 12.836 8.047 1.00 18.62 C +ATOM 144 CD2 PHE B 164 34.904 11.071 7.541 1.00 20.42 C +ATOM 145 CE1 PHE B 164 36.700 12.234 9.264 1.00 22.58 C +ATOM 146 CE2 PHE B 164 35.237 10.443 8.738 1.00 19.87 C +ATOM 147 CZ PHE B 164 36.135 11.029 9.600 1.00 18.35 C +ATOM 148 N VAL B 165 37.529 14.669 5.003 1.00 19.02 N +ATOM 149 CA VAL B 165 38.774 15.402 5.198 1.00 18.94 C +ATOM 150 C VAL B 165 38.713 16.037 6.565 1.00 19.77 C +ATOM 151 O VAL B 165 37.668 16.512 6.966 1.00 17.75 O +ATOM 152 CB VAL B 165 38.963 16.516 4.137 1.00 19.32 C +ATOM 153 CG1 VAL B 165 40.251 17.275 4.395 1.00 22.23 C +ATOM 154 CG2 VAL B 165 38.944 15.920 2.724 1.00 17.20 C +ATOM 155 N ILE B 166 39.837 16.014 7.276 1.00 17.45 N +ATOM 156 CA ILE B 166 39.959 16.706 8.580 1.00 18.07 C +ATOM 157 C ILE B 166 41.036 17.777 8.547 1.00 20.49 C +ATOM 158 O ILE B 166 42.077 17.625 7.885 1.00 17.98 O +ATOM 159 CB ILE B 166 40.280 15.755 9.744 1.00 18.24 C +ATOM 160 CG1 ILE B 166 41.506 14.875 9.508 1.00 20.43 C +ATOM 161 CG2 ILE B 166 39.031 14.882 10.122 1.00 18.22 C +ATOM 162 CD1 ILE B 166 42.125 14.356 10.765 1.00 19.73 C +ATOM 163 N ARG B 167 40.770 18.859 9.280 1.00 16.92 N +ATOM 164 CA ARG B 167 41.832 19.774 9.708 1.00 16.75 C +ATOM 165 C ARG B 167 41.937 19.761 11.225 1.00 18.43 C +ATOM 166 O ARG B 167 41.024 19.325 11.929 1.00 17.94 O +ATOM 167 CB ARG B 167 41.589 21.185 9.165 1.00 15.39 C +ATOM 168 CG ARG B 167 40.332 21.845 9.738 1.00 19.54 C +ATOM 169 CD ARG B 167 40.155 23.250 9.162 1.00 21.48 C +ATOM 170 NE ARG B 167 38.920 23.910 9.592 1.00 26.36 N +ATOM 171 CZ ARG B 167 38.724 24.390 10.813 1.00 26.65 C +ATOM 172 NH1 ARG B 167 39.673 24.313 11.715 1.00 33.15 N +ATOM 173 NH2 ARG B 167 37.584 24.978 11.142 1.00 23.56 N +ATOM 174 N GLY B 168 43.070 20.239 11.727 1.00 15.39 N +ATOM 175 CA GLY B 168 43.174 20.535 13.136 1.00 17.07 C +ATOM 176 C GLY B 168 44.112 19.636 13.858 1.00 21.87 C +ATOM 177 O GLY B 168 44.679 18.727 13.268 1.00 19.34 O +ATOM 178 N GLY B 169 44.231 19.899 15.153 1.00 18.04 N +ATOM 179 CA GLY B 169 45.082 19.118 16.023 1.00 17.82 C +ATOM 180 C GLY B 169 45.873 19.919 17.032 1.00 20.61 C +ATOM 181 O GLY B 169 45.930 21.148 16.990 1.00 18.24 O +ATOM 182 N ALA B 170 46.491 19.205 17.959 1.00 18.18 N +ATOM 183 CA ALA B 170 47.251 19.823 19.035 1.00 21.60 C +ATOM 184 C ALA B 170 48.568 20.363 18.534 1.00 21.26 C +ATOM 185 O ALA B 170 49.132 19.864 17.561 1.00 21.54 O +ATOM 186 CB ALA B 170 47.484 18.827 20.179 1.00 24.01 C +ATOM 187 N HIS B 171 49.044 21.406 19.202 1.00 22.38 N +ATOM 188 CA HIS B 171 50.321 22.008 18.882 1.00 29.59 C +ATOM 189 C HIS B 171 51.234 21.952 20.103 1.00 31.32 C +ATOM 190 O HIS B 171 50.763 21.759 21.228 1.00 28.84 O +ATOM 191 CB HIS B 171 50.094 23.445 18.405 1.00 32.37 C +ATOM 192 CG HIS B 171 51.343 24.126 17.957 1.00 46.16 C +ATOM 193 ND1 HIS B 171 52.173 23.592 16.995 1.00 60.24 N +ATOM 194 CD2 HIS B 171 51.920 25.283 18.357 1.00 62.32 C +ATOM 195 CE1 HIS B 171 53.205 24.398 16.816 1.00 64.02 C +ATOM 196 NE2 HIS B 171 53.075 25.430 17.631 1.00 53.29 N +ATOM 197 N ASP B 172 52.539 22.090 19.864 1.00 37.02 N +ATOM 198 CA ASP B 172 53.523 22.165 20.940 1.00 41.86 C +ATOM 199 C ASP B 172 53.057 23.187 21.982 1.00 40.30 C +ATOM 200 O ASP B 172 52.987 22.873 23.174 1.00 40.38 O +ATOM 201 CB ASP B 172 54.907 22.510 20.379 1.00 42.89 C +ATOM 202 N ASP B 173 52.697 24.384 21.509 1.00 41.30 N +ATOM 203 CA ASP B 173 52.015 25.401 22.325 1.00 42.74 C +ATOM 204 C ASP B 173 50.525 25.069 22.489 1.00 43.11 C +ATOM 205 O ASP B 173 49.722 25.339 21.593 1.00 42.86 O +ATOM 206 CB ASP B 173 52.168 26.787 21.681 1.00 45.17 C +ATOM 207 CG ASP B 173 51.703 27.926 22.590 1.00 52.37 C +ATOM 208 OD1 ASP B 173 51.298 27.664 23.746 1.00 43.98 O +ATOM 209 OD2 ASP B 173 51.742 29.094 22.133 1.00 53.32 O +ATOM 210 N ARG B 174 50.173 24.502 23.644 1.00 40.24 N +ATOM 211 CA ARG B 174 48.819 24.003 23.926 1.00 42.75 C +ATOM 212 C ARG B 174 47.685 25.013 23.682 1.00 41.66 C +ATOM 213 O ARG B 174 46.578 24.626 23.282 1.00 31.93 O +ATOM 214 CB ARG B 174 48.750 23.489 25.368 1.00 46.16 C +ATOM 215 CG ARG B 174 47.430 22.828 25.740 1.00 50.86 C +ATOM 216 CD ARG B 174 47.566 22.065 27.044 1.00 62.68 C +ATOM 217 NE ARG B 174 46.275 21.823 27.685 1.00 64.73 N +ATOM 218 CZ ARG B 174 46.124 21.269 28.887 1.00 71.54 C +ATOM 219 NH1 ARG B 174 47.186 20.885 29.599 1.00 72.19 N +ATOM 220 NH2 ARG B 174 44.904 21.097 29.382 1.00 73.83 N +ATOM 221 N ASN B 175 47.953 26.299 23.918 1.00 42.07 N +ATOM 222 CA ASN B 175 46.957 27.347 23.651 1.00 41.96 C +ATOM 223 C ASN B 175 46.665 27.488 22.145 1.00 36.59 C +ATOM 224 O ASN B 175 45.582 27.934 21.753 1.00 42.06 O +ATOM 225 CB ASN B 175 47.404 28.688 24.251 1.00 40.74 C +ATOM 226 CG ASN B 175 47.410 28.678 25.772 1.00 42.79 C +ATOM 227 N LYS B 176 47.626 27.070 21.319 1.00 27.45 N +ATOM 228 CA LYS B 176 47.529 27.173 19.854 1.00 33.63 C +ATOM 229 C LYS B 176 47.014 25.887 19.167 1.00 28.79 C +ATOM 230 O LYS B 176 46.949 25.794 17.944 1.00 23.63 O +ATOM 231 CB LYS B 176 48.881 27.545 19.274 1.00 33.60 C +ATOM 232 CG LYS B 176 49.524 28.737 19.955 1.00 40.15 C +ATOM 233 N SER B 177 46.658 24.902 19.972 1.00 28.47 N +ATOM 234 CA SER B 177 45.984 23.727 19.472 1.00 19.93 C +ATOM 235 C SER B 177 44.652 24.131 18.858 1.00 20.58 C +ATOM 236 O SER B 177 44.021 25.042 19.376 1.00 20.88 O +ATOM 237 CB SER B 177 45.791 22.783 20.642 1.00 21.79 C +ATOM 238 OG SER B 177 47.084 22.449 21.128 1.00 25.01 O +ATOM 239 N ARG B 178 44.218 23.458 17.784 1.00 15.62 N +ATOM 240 CA ARG B 178 42.889 23.697 17.235 1.00 15.70 C +ATOM 241 C ARG B 178 42.103 22.423 17.153 1.00 18.96 C +ATOM 242 O ARG B 178 42.687 21.337 17.004 1.00 15.96 O +ATOM 243 CB ARG B 178 42.976 24.299 15.842 1.00 16.54 C +ATOM 244 CG ARG B 178 43.748 25.625 15.796 1.00 18.50 C +ATOM 245 CD ARG B 178 43.965 26.122 14.388 1.00 18.38 C +ATOM 246 NE ARG B 178 45.081 27.048 14.195 1.00 15.43 N +ATOM 247 CZ ARG B 178 44.972 28.361 13.917 1.00 14.22 C +ATOM 248 NH1 ARG B 178 43.768 28.948 13.803 1.00 15.46 N +ATOM 249 NH2 ARG B 178 46.040 29.049 13.733 1.00 16.58 N +ATOM 250 N PRO B 179 40.775 22.525 17.253 1.00 18.35 N +ATOM 251 CA PRO B 179 39.923 21.370 17.223 1.00 19.32 C +ATOM 252 C PRO B 179 40.057 20.629 15.914 1.00 16.92 C +ATOM 253 O PRO B 179 40.312 21.232 14.847 1.00 16.00 O +ATOM 254 CB PRO B 179 38.504 21.963 17.329 1.00 23.64 C +ATOM 255 CG PRO B 179 38.686 23.200 18.037 1.00 29.84 C +ATOM 256 CD PRO B 179 39.973 23.746 17.495 1.00 22.85 C +ATOM 257 N VAL B 180 39.841 19.318 15.988 1.00 17.70 N +ATOM 258 CA VAL B 180 39.744 18.510 14.763 1.00 17.48 C +ATOM 259 C VAL B 180 38.353 18.690 14.152 1.00 18.52 C +ATOM 260 O VAL B 180 37.339 18.414 14.798 1.00 17.33 O +ATOM 261 CB VAL B 180 40.042 17.039 15.051 1.00 18.28 C +ATOM 262 CG1 VAL B 180 39.948 16.234 13.758 1.00 21.22 C +ATOM 263 CG2 VAL B 180 41.411 16.865 15.725 1.00 18.75 C +ATOM 264 N VAL B 181 38.315 19.223 12.937 1.00 17.84 N +ATOM 265 CA VAL B 181 37.070 19.598 12.255 1.00 17.28 C +ATOM 266 C VAL B 181 37.032 18.912 10.871 1.00 18.99 C +ATOM 267 O VAL B 181 38.049 18.883 10.141 1.00 19.33 O +ATOM 268 CB VAL B 181 37.013 21.115 12.077 1.00 18.67 C +ATOM 269 CG1 VAL B 181 35.836 21.557 11.254 1.00 20.54 C +ATOM 270 CG2 VAL B 181 36.925 21.745 13.466 1.00 19.59 C +ATOM 271 N ILE B 182 35.850 18.393 10.522 1.00 19.62 N +ATOM 272 CA ILE B 182 35.630 17.782 9.216 1.00 17.99 C +ATOM 273 C ILE B 182 35.332 18.891 8.204 1.00 20.01 C +ATOM 274 O ILE B 182 34.470 19.735 8.448 1.00 23.89 O +ATOM 275 CB ILE B 182 34.447 16.767 9.302 1.00 21.54 C +ATOM 276 CG1 ILE B 182 34.860 15.614 10.245 1.00 21.14 C +ATOM 277 CG2 ILE B 182 34.113 16.285 7.912 1.00 20.58 C +ATOM 278 CD1 ILE B 182 33.805 14.535 10.633 1.00 25.28 C +ATOM 279 N THR B 183 36.073 18.928 7.079 1.00 17.70 N +ATOM 280 CA THR B 183 36.041 20.051 6.157 1.00 20.55 C +ATOM 281 C THR B 183 35.364 19.708 4.832 1.00 23.72 C +ATOM 282 O THR B 183 34.997 20.601 4.079 1.00 22.16 O +ATOM 283 CB THR B 183 37.452 20.572 5.859 1.00 22.24 C +ATOM 284 OG1 THR B 183 38.180 19.580 5.138 1.00 23.23 O +ATOM 285 CG2 THR B 183 38.210 20.938 7.143 1.00 23.89 C +ATOM 286 N SER B 184 35.153 18.413 4.583 1.00 20.06 N +ATOM 287 CA SER B 184 34.592 17.949 3.327 1.00 18.32 C +ATOM 288 C SER B 184 34.232 16.466 3.418 1.00 15.17 C +ATOM 289 O SER B 184 34.824 15.704 4.201 1.00 15.55 O +ATOM 290 CB SER B 184 35.537 18.218 2.157 1.00 18.99 C +ATOM 291 OG SER B 184 34.982 17.817 0.916 1.00 18.16 O +ATOM 292 N VAL B 185 33.222 16.081 2.635 1.00 16.61 N +ATOM 293 CA VAL B 185 32.753 14.693 2.627 1.00 17.50 C +ATOM 294 C VAL B 185 32.752 14.250 1.194 1.00 18.82 C +ATOM 295 O VAL B 185 32.144 14.892 0.398 1.00 19.86 O +ATOM 296 CB VAL B 185 31.385 14.612 3.246 1.00 17.65 C +ATOM 297 CG1 VAL B 185 30.780 13.204 3.077 1.00 19.73 C +ATOM 298 CG2 VAL B 185 31.503 15.015 4.717 1.00 19.51 C +ATOM 299 N ARG B 186 33.436 13.153 0.900 1.00 17.15 N +ATOM 300 CA ARG B 186 33.585 12.647 -0.467 1.00 20.73 C +ATOM 301 C ARG B 186 32.286 11.990 -0.938 1.00 20.22 C +ATOM 302 O ARG B 186 31.823 11.045 -0.293 1.00 17.24 O +ATOM 303 CB ARG B 186 34.709 11.595 -0.500 1.00 20.81 C +ATOM 304 CG ARG B 186 35.094 11.070 -1.876 1.00 29.81 C +ATOM 305 CD AARG B 186 36.304 10.112 -1.727 0.50 30.77 C +ATOM 306 CD BARG B 186 36.310 10.158 -1.876 0.50 29.98 C +ATOM 307 NE AARG B 186 35.938 8.806 -1.152 0.50 28.44 N +ATOM 308 NE BARG B 186 36.142 8.896 -1.157 0.50 23.49 N +ATOM 309 CZ AARG B 186 36.715 8.038 -0.374 0.50 16.93 C +ATOM 310 CZ BARG B 186 35.318 7.905 -1.499 0.50 12.74 C +ATOM 311 NH1AARG B 186 37.941 8.405 -0.017 0.50 20.31 N +ATOM 312 NH1BARG B 186 34.499 7.991 -2.548 0.50 17.53 N +ATOM 313 NH2AARG B 186 36.250 6.876 0.068 0.50 25.33 N +ATOM 314 NH2BARG B 186 35.294 6.804 -0.755 0.50 32.63 N +ATOM 315 N PRO B 187 31.693 12.466 -2.061 1.00 19.35 N +ATOM 316 CA PRO B 187 30.482 11.833 -2.524 1.00 18.37 C +ATOM 317 C PRO B 187 30.656 10.331 -2.753 1.00 16.29 C +ATOM 318 O PRO B 187 31.664 9.877 -3.316 1.00 19.06 O +ATOM 319 CB PRO B 187 30.166 12.572 -3.857 1.00 17.66 C +ATOM 320 CG PRO B 187 30.852 13.886 -3.707 1.00 26.45 C +ATOM 321 CD PRO B 187 32.074 13.610 -2.908 1.00 19.67 C +ATOM 322 N GLY B 188 29.655 9.575 -2.303 1.00 19.87 N +ATOM 323 CA GLY B 188 29.638 8.124 -2.454 1.00 20.04 C +ATOM 324 C GLY B 188 30.506 7.346 -1.475 1.00 21.40 C +ATOM 325 O GLY B 188 30.514 6.118 -1.504 1.00 22.25 O +ATOM 326 N GLY B 189 31.256 8.052 -0.632 1.00 16.36 N +ATOM 327 CA GLY B 189 32.101 7.414 0.368 1.00 18.29 C +ATOM 328 C GLY B 189 31.294 6.984 1.589 1.00 19.06 C +ATOM 329 O GLY B 189 30.088 7.302 1.693 1.00 17.51 O +ATOM 330 N PRO B 190 31.950 6.265 2.526 1.00 15.22 N +ATOM 331 CA PRO B 190 31.286 5.811 3.743 1.00 15.58 C +ATOM 332 C PRO B 190 30.553 6.904 4.507 1.00 17.32 C +ATOM 333 O PRO B 190 29.396 6.716 4.914 1.00 17.07 O +ATOM 334 CB PRO B 190 32.456 5.275 4.589 1.00 19.65 C +ATOM 335 CG PRO B 190 33.395 4.747 3.591 1.00 14.68 C +ATOM 336 CD PRO B 190 33.325 5.732 2.440 1.00 15.46 C +ATOM 337 N ALA B 191 31.213 8.040 4.681 1.00 16.42 N +ATOM 338 CA ALA B 191 30.615 9.125 5.412 1.00 14.27 C +ATOM 339 C ALA B 191 29.405 9.705 4.665 1.00 16.51 C +ATOM 340 O ALA B 191 28.388 10.008 5.281 1.00 17.04 O +ATOM 341 CB ALA B 191 31.660 10.247 5.758 1.00 16.48 C +ATOM 342 N ASP B 192 29.547 9.891 3.352 1.00 15.92 N +ATOM 343 CA ASP B 192 28.427 10.356 2.535 1.00 18.07 C +ATOM 344 C ASP B 192 27.270 9.377 2.629 1.00 15.08 C +ATOM 345 O ASP B 192 26.109 9.782 2.767 1.00 19.20 O +ATOM 346 CB ASP B 192 28.848 10.604 1.089 1.00 18.39 C +ATOM 347 CG ASP B 192 27.762 11.288 0.253 1.00 18.35 C +ATOM 348 OD1 ASP B 192 27.142 12.243 0.766 1.00 24.41 O +ATOM 349 OD2 ASP B 192 27.535 10.862 -0.901 1.00 24.14 O +ATOM 350 N ARG B 193 27.570 8.098 2.509 1.00 17.81 N +ATOM 351 CA ARG B 193 26.492 7.071 2.538 1.00 15.70 C +ATOM 352 C ARG B 193 25.703 7.039 3.850 1.00 16.87 C +ATOM 353 O ARG B 193 24.480 6.824 3.831 1.00 20.43 O +ATOM 354 CB ARG B 193 27.065 5.684 2.197 1.00 18.25 C +ATOM 355 CG ARG B 193 27.295 5.526 0.684 1.00 22.45 C +ATOM 356 CD ARG B 193 27.771 4.139 0.236 1.00 29.79 C +ATOM 357 NE ARG B 193 29.182 3.905 0.571 1.00 32.62 N +ATOM 358 CZ ARG B 193 29.621 3.099 1.539 1.00 34.80 C +ATOM 359 NH1 ARG B 193 28.782 2.405 2.301 1.00 54.27 N +ATOM 360 NH2 ARG B 193 30.921 2.982 1.749 1.00 38.20 N +ATOM 361 N GLU B 194 26.377 7.206 4.970 1.00 16.67 N +ATOM 362 CA GLU B 194 25.686 7.235 6.249 1.00 18.67 C +ATOM 363 C GLU B 194 24.892 8.540 6.427 1.00 17.66 C +ATOM 364 O GLU B 194 23.796 8.544 6.990 1.00 24.27 O +ATOM 365 CB GLU B 194 26.661 6.939 7.380 1.00 19.56 C +ATOM 366 CG GLU B 194 26.009 6.752 8.744 1.00 21.76 C +ATOM 367 CD GLU B 194 25.619 8.062 9.397 1.00 29.73 C +ATOM 368 OE1 GLU B 194 26.197 9.092 9.053 1.00 20.16 O +ATOM 369 OE2 GLU B 194 24.737 8.080 10.271 1.00 27.68 O +ATOM 370 N GLY B 195 25.435 9.640 5.898 1.00 20.00 N +ATOM 371 CA GLY B 195 24.700 10.873 5.646 1.00 18.86 C +ATOM 372 C GLY B 195 24.698 11.931 6.741 1.00 19.53 C +ATOM 373 O GLY B 195 24.267 13.048 6.492 1.00 22.73 O +ATOM 374 N THR B 196 25.199 11.603 7.943 1.00 18.95 N +ATOM 375 CA THR B 196 25.109 12.545 9.074 1.00 19.57 C +ATOM 376 C THR B 196 26.156 13.618 9.013 1.00 20.74 C +ATOM 377 O THR B 196 25.849 14.780 9.232 1.00 22.58 O +ATOM 378 CB THR B 196 25.250 11.843 10.428 1.00 18.50 C +ATOM 379 OG1 THR B 196 24.252 10.800 10.501 1.00 21.54 O +ATOM 380 CG2 THR B 196 25.100 12.824 11.611 1.00 20.94 C +ATOM 381 N ILE B 197 27.404 13.184 8.805 1.00 19.62 N +ATOM 382 CA ILE B 197 28.587 14.058 8.906 1.00 19.72 C +ATOM 383 C ILE B 197 28.531 15.125 7.813 1.00 19.95 C +ATOM 384 O ILE B 197 28.249 14.829 6.651 1.00 19.34 O +ATOM 385 CB ILE B 197 29.914 13.235 8.756 1.00 20.62 C +ATOM 386 CG1 ILE B 197 30.125 12.376 9.998 1.00 21.33 C +ATOM 387 CG2 ILE B 197 31.133 14.185 8.483 1.00 19.83 C +ATOM 388 CD1 ILE B 197 31.191 11.316 9.911 1.00 21.69 C +ATOM 389 N LYS B 198 28.836 16.361 8.196 1.00 18.95 N +ATOM 390 CA LYS B 198 28.838 17.513 7.301 1.00 17.59 C +ATOM 391 C LYS B 198 30.055 18.369 7.599 1.00 19.19 C +ATOM 392 O LYS B 198 30.543 18.378 8.718 1.00 18.54 O +ATOM 393 CB LYS B 198 27.569 18.350 7.499 1.00 18.90 C +ATOM 394 CG LYS B 198 26.255 17.656 7.151 1.00 19.37 C +ATOM 395 CD LYS B 198 26.035 17.377 5.671 1.00 20.99 C +ATOM 396 CE LYS B 198 25.109 16.198 5.451 1.00 29.24 C +ATOM 397 NZ LYS B 198 24.775 15.999 3.977 1.00 24.57 N +ATOM 398 N PRO B 199 30.534 19.104 6.583 1.00 18.12 N +ATOM 399 CA PRO B 199 31.595 20.055 6.823 1.00 18.76 C +ATOM 400 C PRO B 199 31.259 20.986 7.972 1.00 20.58 C +ATOM 401 O PRO B 199 30.124 21.482 8.079 1.00 20.80 O +ATOM 402 CB PRO B 199 31.660 20.822 5.512 1.00 20.85 C +ATOM 403 CG PRO B 199 31.147 19.881 4.491 1.00 23.38 C +ATOM 404 CD PRO B 199 30.113 19.067 5.173 1.00 19.42 C +ATOM 405 N GLY B 200 32.233 21.138 8.856 1.00 19.20 N +ATOM 406 CA GLY B 200 32.113 21.970 10.027 1.00 18.35 C +ATOM 407 C GLY B 200 31.926 21.208 11.313 1.00 21.56 C +ATOM 408 O GLY B 200 32.054 21.777 12.414 1.00 22.31 O +ATOM 409 N ASP B 201 31.561 19.933 11.217 1.00 17.06 N +ATOM 410 CA ASP B 201 31.316 19.103 12.387 1.00 18.49 C +ATOM 411 C ASP B 201 32.645 18.878 13.098 1.00 18.56 C +ATOM 412 O ASP B 201 33.654 18.632 12.455 1.00 19.04 O +ATOM 413 CB ASP B 201 30.654 17.753 11.992 1.00 17.77 C +ATOM 414 CG ASP B 201 29.205 17.904 11.490 1.00 17.04 C +ATOM 415 OD1 ASP B 201 28.671 19.039 11.569 1.00 20.97 O +ATOM 416 OD2 ASP B 201 28.646 16.894 11.018 1.00 19.85 O +ATOM 417 N ARG B 202 32.627 18.886 14.436 1.00 19.29 N +ATOM 418 CA ARG B 202 33.813 18.688 15.261 1.00 19.27 C +ATOM 419 C ARG B 202 33.918 17.197 15.505 1.00 21.37 C +ATOM 420 O ARG B 202 32.918 16.572 15.824 1.00 20.87 O +ATOM 421 CB ARG B 202 33.697 19.375 16.619 1.00 21.16 C +ATOM 422 CG ARG B 202 35.063 19.437 17.374 1.00 28.22 C +ATOM 423 CD ARG B 202 35.111 20.421 18.571 1.00 33.25 C +ATOM 424 NE ARG B 202 34.662 21.780 18.234 1.00 33.69 N +ATOM 425 CZ ARG B 202 34.768 22.829 19.043 1.00 46.50 C +ATOM 426 NH1 ARG B 202 35.323 22.703 20.249 1.00 51.51 N +ATOM 427 NH2 ARG B 202 34.317 24.014 18.642 1.00 43.95 N +ATOM 428 N LEU B 203 35.110 16.624 15.346 1.00 18.47 N +ATOM 429 CA LEU B 203 35.322 15.190 15.588 1.00 17.42 C +ATOM 430 C LEU B 203 35.943 15.013 16.974 1.00 17.86 C +ATOM 431 O LEU B 203 37.061 15.466 17.206 1.00 18.78 O +ATOM 432 CB LEU B 203 36.221 14.562 14.508 1.00 17.61 C +ATOM 433 CG LEU B 203 36.533 13.082 14.645 1.00 18.43 C +ATOM 434 CD1 LEU B 203 35.218 12.287 14.641 1.00 16.82 C +ATOM 435 CD2 LEU B 203 37.437 12.649 13.500 1.00 21.57 C +ATOM 436 N LEU B 204 35.206 14.384 17.898 1.00 17.07 N +ATOM 437 CA LEU B 204 35.646 14.265 19.285 1.00 16.16 C +ATOM 438 C LEU B 204 36.349 12.958 19.619 1.00 15.86 C +ATOM 439 O LEU B 204 37.259 12.922 20.430 1.00 15.79 O +ATOM 440 CB LEU B 204 34.445 14.413 20.237 1.00 15.88 C +ATOM 441 CG LEU B 204 33.573 15.658 20.108 1.00 18.42 C +ATOM 442 CD1 LEU B 204 32.431 15.666 21.126 1.00 20.93 C +ATOM 443 CD2 LEU B 204 34.460 16.840 20.370 1.00 23.06 C +ATOM 444 N SER B 205 35.880 11.865 19.030 1.00 16.62 N +ATOM 445 CA SER B 205 36.384 10.542 19.389 1.00 15.56 C +ATOM 446 C SER B 205 36.262 9.584 18.221 1.00 16.81 C +ATOM 447 O SER B 205 35.351 9.711 17.410 1.00 17.58 O +ATOM 448 CB SER B 205 35.558 10.024 20.565 1.00 16.43 C +ATOM 449 OG SER B 205 35.955 8.752 20.985 1.00 24.36 O +ATOM 450 N VAL B 206 37.201 8.643 18.150 1.00 18.77 N +ATOM 451 CA VAL B 206 37.230 7.607 17.110 1.00 19.26 C +ATOM 452 C VAL B 206 37.432 6.261 17.813 1.00 18.89 C +ATOM 453 O VAL B 206 38.483 6.023 18.424 1.00 15.92 O +ATOM 454 CB VAL B 206 38.408 7.830 16.170 1.00 17.82 C +ATOM 455 CG1 VAL B 206 38.483 6.683 15.060 1.00 17.84 C +ATOM 456 CG2 VAL B 206 38.350 9.204 15.568 1.00 17.41 C +ATOM 457 N ASP B 207 36.443 5.380 17.750 1.00 17.25 N +ATOM 458 CA ASP B 207 36.562 4.069 18.390 1.00 23.74 C +ATOM 459 C ASP B 207 36.795 4.165 19.897 1.00 23.43 C +ATOM 460 O ASP B 207 37.504 3.341 20.484 1.00 24.16 O +ATOM 461 CB ASP B 207 37.734 3.271 17.762 1.00 25.42 C +ATOM 462 CG ASP B 207 37.267 2.181 16.841 1.00 44.26 C +ATOM 463 OD1 ASP B 207 36.211 2.380 16.206 1.00 50.71 O +ATOM 464 OD2 ASP B 207 37.968 1.139 16.759 1.00 32.40 O +ATOM 465 N GLY B 208 36.203 5.162 20.518 1.00 19.00 N +ATOM 466 CA GLY B 208 36.410 5.407 21.925 1.00 17.37 C +ATOM 467 C GLY B 208 37.747 6.040 22.272 1.00 14.21 C +ATOM 468 O GLY B 208 38.081 6.189 23.443 1.00 17.04 O +ATOM 469 N ILE B 209 38.518 6.420 21.263 1.00 14.10 N +ATOM 470 CA ILE B 209 39.800 7.090 21.456 1.00 15.86 C +ATOM 471 C ILE B 209 39.559 8.600 21.299 1.00 16.52 C +ATOM 472 O ILE B 209 39.234 9.075 20.178 1.00 15.27 O +ATOM 473 CB ILE B 209 40.854 6.618 20.422 1.00 15.38 C +ATOM 474 CG1 ILE B 209 40.904 5.083 20.391 1.00 20.33 C +ATOM 475 CG2 ILE B 209 42.188 7.203 20.758 1.00 15.89 C +ATOM 476 CD1 ILE B 209 41.545 4.560 19.147 1.00 25.72 C +ATOM 477 N ARG B 210 39.679 9.338 22.412 1.00 14.96 N +ATOM 478 CA ARG B 210 39.472 10.790 22.343 1.00 15.95 C +ATOM 479 C ARG B 210 40.573 11.473 21.560 1.00 15.16 C +ATOM 480 O ARG B 210 41.759 11.187 21.752 1.00 20.41 O +ATOM 481 CB ARG B 210 39.425 11.373 23.742 1.00 16.60 C +ATOM 482 CG ARG B 210 38.188 10.957 24.470 1.00 21.10 C +ATOM 483 CD ARG B 210 36.979 11.802 24.056 1.00 24.59 C +ATOM 484 NE ARG B 210 35.731 11.139 24.414 1.00 28.40 N +ATOM 485 CZ ARG B 210 34.536 11.740 24.515 1.00 26.56 C +ATOM 486 NH1 ARG B 210 34.384 13.064 24.311 1.00 22.57 N +ATOM 487 NH2 ARG B 210 33.476 11.004 24.857 1.00 30.16 N +ATOM 488 N LEU B 211 40.167 12.412 20.703 1.00 14.96 N +ATOM 489 CA LEU B 211 41.128 13.156 19.906 1.00 16.70 C +ATOM 490 C LEU B 211 41.734 14.383 20.593 1.00 20.98 C +ATOM 491 O LEU B 211 42.667 15.021 20.067 1.00 27.53 O +ATOM 492 CB LEU B 211 40.546 13.513 18.550 1.00 17.31 C +ATOM 493 CG LEU B 211 40.192 12.363 17.606 1.00 16.87 C +ATOM 494 CD1 LEU B 211 39.865 12.905 16.199 1.00 19.21 C +ATOM 495 CD2 LEU B 211 41.373 11.370 17.539 1.00 16.70 C +ATOM 496 N LEU B 212 41.249 14.654 21.786 1.00 22.91 N +ATOM 497 CA LEU B 212 41.818 15.633 22.681 1.00 25.82 C +ATOM 498 C LEU B 212 43.317 15.437 22.911 1.00 19.41 C +ATOM 499 O LEU B 212 43.787 14.380 23.380 1.00 25.20 O +ATOM 500 CB LEU B 212 41.056 15.571 24.005 1.00 23.37 C +ATOM 501 CG LEU B 212 41.345 16.658 25.028 1.00 32.27 C +ATOM 502 CD1 LEU B 212 40.118 16.987 25.856 1.00 43.44 C +ATOM 503 CD2 LEU B 212 42.489 16.230 25.902 1.00 31.97 C +ATOM 504 N GLY B 213 44.087 16.474 22.601 1.00 21.01 N +ATOM 505 CA GLY B 213 45.509 16.447 22.815 1.00 18.01 C +ATOM 506 C GLY B 213 46.321 15.683 21.777 1.00 19.88 C +ATOM 507 O GLY B 213 47.506 15.442 21.972 1.00 20.27 O +ATOM 508 N THR B 214 45.693 15.262 20.696 1.00 20.52 N +ATOM 509 CA THR B 214 46.424 14.586 19.598 1.00 16.39 C +ATOM 510 C THR B 214 46.878 15.607 18.556 1.00 17.97 C +ATOM 511 O THR B 214 46.054 16.450 18.183 1.00 17.52 O +ATOM 512 CB THR B 214 45.499 13.587 18.920 1.00 18.91 C +ATOM 513 OG1 THR B 214 44.267 14.224 18.555 1.00 20.71 O +ATOM 514 CG2 THR B 214 45.206 12.454 19.865 1.00 19.11 C +ATOM 515 N THR B 215 48.121 15.531 18.076 1.00 16.66 N +ATOM 516 CA THR B 215 48.537 16.322 16.915 1.00 15.29 C +ATOM 517 C THR B 215 47.759 15.902 15.694 1.00 18.37 C +ATOM 518 O THR B 215 47.089 14.881 15.692 1.00 18.25 O +ATOM 519 CB THR B 215 50.004 16.143 16.565 1.00 15.43 C +ATOM 520 OG1 THR B 215 50.211 14.797 16.102 1.00 18.32 O +ATOM 521 CG2 THR B 215 50.882 16.447 17.771 1.00 19.81 C +ATOM 522 N HIS B 216 47.846 16.700 14.640 1.00 15.28 N +ATOM 523 CA HIS B 216 47.153 16.349 13.413 1.00 16.98 C +ATOM 524 C HIS B 216 47.551 14.950 12.963 1.00 16.76 C +ATOM 525 O HIS B 216 46.707 14.130 12.604 1.00 15.90 O +ATOM 526 CB HIS B 216 47.436 17.380 12.320 1.00 16.38 C +ATOM 527 CG HIS B 216 46.653 17.146 11.065 1.00 17.61 C +ATOM 528 ND1 HIS B 216 45.332 17.520 10.925 1.00 15.77 N +ATOM 529 CD2 HIS B 216 47.002 16.552 9.903 1.00 16.45 C +ATOM 530 CE1 HIS B 216 44.918 17.191 9.713 1.00 19.05 C +ATOM 531 NE2 HIS B 216 45.910 16.593 9.076 1.00 20.96 N +ATOM 532 N ALA B 217 48.858 14.702 12.930 1.00 15.23 N +ATOM 533 CA ALA B 217 49.374 13.403 12.484 1.00 15.28 C +ATOM 534 C ALA B 217 48.855 12.263 13.328 1.00 16.15 C +ATOM 535 O ALA B 217 48.553 11.192 12.804 1.00 18.22 O +ATOM 536 CB ALA B 217 50.880 13.407 12.506 1.00 15.42 C +ATOM 537 N GLU B 218 48.753 12.504 14.646 1.00 14.79 N +ATOM 538 CA GLU B 218 48.283 11.497 15.602 1.00 12.67 C +ATOM 539 C GLU B 218 46.819 11.217 15.361 1.00 19.13 C +ATOM 540 O GLU B 218 46.375 10.083 15.430 1.00 16.61 O +ATOM 541 CB GLU B 218 48.511 11.933 17.059 1.00 19.26 C +ATOM 542 CG GLU B 218 49.958 11.798 17.493 1.00 18.74 C +ATOM 543 CD GLU B 218 50.248 12.382 18.866 1.00 31.51 C +ATOM 544 OE1 GLU B 218 49.719 13.460 19.207 1.00 22.74 O +ATOM 545 OE2 GLU B 218 50.999 11.748 19.632 1.00 23.57 O +ATOM 546 N ALA B 219 46.052 12.261 15.048 1.00 18.25 N +ATOM 547 CA ALA B 219 44.613 12.078 14.748 1.00 17.90 C +ATOM 548 C ALA B 219 44.379 11.286 13.467 1.00 18.51 C +ATOM 549 O ALA B 219 43.596 10.339 13.408 1.00 17.83 O +ATOM 550 CB ALA B 219 43.915 13.439 14.641 1.00 19.62 C +ATOM 551 N MET B 220 45.085 11.673 12.417 1.00 17.10 N +ATOM 552 CA MET B 220 44.993 10.994 11.159 1.00 18.86 C +ATOM 553 C MET B 220 45.416 9.535 11.344 1.00 18.42 C +ATOM 554 O MET B 220 44.807 8.624 10.772 1.00 18.27 O +ATOM 555 CB MET B 220 45.831 11.777 10.123 1.00 23.46 C +ATOM 556 CG MET B 220 46.140 11.070 8.832 1.00 37.08 C +ATOM 557 SD MET B 220 47.601 10.015 8.924 1.00 35.70 S +ATOM 558 CE MET B 220 48.963 11.158 9.231 1.00 37.20 C +ATOM 559 N SER B 221 46.471 9.305 12.143 1.00 17.88 N +ATOM 560 CA SER B 221 46.954 7.944 12.422 1.00 18.76 C +ATOM 561 C SER B 221 45.873 7.131 13.109 1.00 11.60 C +ATOM 562 O SER B 221 45.643 5.973 12.791 1.00 14.81 O +ATOM 563 CB ASER B 221 48.227 7.988 13.286 0.50 19.35 C +ATOM 564 CB BSER B 221 48.188 7.979 13.329 0.50 20.02 C +ATOM 565 OG ASER B 221 49.334 8.558 12.579 0.50 13.57 O +ATOM 566 OG BSER B 221 48.489 6.691 13.842 0.50 29.15 O +ATOM 567 N ILE B 222 45.223 7.722 14.092 1.00 13.79 N +ATOM 568 CA ILE B 222 44.176 7.006 14.830 1.00 12.07 C +ATOM 569 C ILE B 222 43.031 6.578 13.909 1.00 15.85 C +ATOM 570 O ILE B 222 42.547 5.467 14.001 1.00 17.91 O +ATOM 571 CB ILE B 222 43.631 7.894 15.993 1.00 16.57 C +ATOM 572 CG1 ILE B 222 44.642 7.904 17.161 1.00 13.91 C +ATOM 573 CG2 ILE B 222 42.223 7.429 16.435 1.00 16.02 C +ATOM 574 CD1 ILE B 222 44.496 9.059 18.122 1.00 20.28 C +ATOM 575 N LEU B 223 42.606 7.464 13.019 1.00 15.15 N +ATOM 576 CA LEU B 223 41.625 7.116 11.995 1.00 14.26 C +ATOM 577 C LEU B 223 42.132 6.034 11.019 1.00 15.79 C +ATOM 578 O LEU B 223 41.352 5.198 10.582 1.00 17.91 O +ATOM 579 CB LEU B 223 41.238 8.365 11.198 1.00 15.36 C +ATOM 580 CG LEU B 223 40.345 9.320 11.998 1.00 20.05 C +ATOM 581 CD1 LEU B 223 40.556 10.748 11.573 1.00 20.04 C +ATOM 582 CD2 LEU B 223 38.854 8.932 11.861 1.00 19.41 C +ATOM 583 N LYS B 224 43.415 6.079 10.661 1.00 14.72 N +ATOM 584 CA LYS B 224 43.982 5.125 9.694 1.00 16.68 C +ATOM 585 C LYS B 224 44.078 3.755 10.315 1.00 18.21 C +ATOM 586 O LYS B 224 43.869 2.729 9.633 1.00 26.00 O +ATOM 587 CB LYS B 224 45.381 5.564 9.226 1.00 20.86 C +ATOM 588 CG LYS B 224 46.026 4.626 8.220 1.00 34.41 C +ATOM 589 N GLN B 225 44.442 3.730 11.599 1.00 18.02 N +ATOM 590 CA GLN B 225 44.750 2.520 12.330 1.00 18.64 C +ATOM 591 C GLN B 225 43.538 1.873 12.980 1.00 19.41 C +ATOM 592 O GLN B 225 43.649 0.773 13.470 1.00 21.74 O +ATOM 593 CB GLN B 225 45.791 2.807 13.413 1.00 16.17 C +ATOM 594 CG GLN B 225 47.182 3.152 12.914 1.00 19.37 C +ATOM 595 N CYS B 226 42.384 2.530 13.013 1.00 21.99 N +ATOM 596 CA CYS B 226 41.260 1.948 13.755 1.00 25.40 C +ATOM 597 C CYS B 226 40.592 0.803 12.967 1.00 32.09 C +ATOM 598 O CYS B 226 40.943 0.543 11.811 1.00 29.74 O +ATOM 599 CB CYS B 226 40.254 3.013 14.228 1.00 22.81 C +ATOM 600 SG CYS B 226 39.278 3.818 12.968 1.00 25.87 S +ATOM 601 N GLY B 227 39.658 0.108 13.616 1.00 34.92 N +ATOM 602 CA GLY B 227 38.919 -0.983 12.981 1.00 41.97 C +ATOM 603 C GLY B 227 38.113 -0.532 11.771 1.00 43.94 C +ATOM 604 O GLY B 227 37.749 0.647 11.656 1.00 46.17 O +ATOM 605 N GLN B 228 37.822 -1.478 10.875 1.00 41.51 N +ATOM 606 CA GLN B 228 37.079 -1.177 9.646 1.00 40.89 C +ATOM 607 C GLN B 228 35.634 -0.735 9.929 1.00 36.70 C +ATOM 608 O GLN B 228 35.101 0.073 9.173 1.00 36.22 O +ATOM 609 CB GLN B 228 37.120 -2.351 8.658 1.00 39.38 C +ATOM 610 CG GLN B 228 38.534 -2.763 8.220 1.00 41.94 C +ATOM 611 CD GLN B 228 39.279 -1.689 7.425 1.00 51.79 C +ATOM 612 OE1 GLN B 228 39.014 -1.481 6.234 1.00 49.83 O +ATOM 613 NE2 GLN B 228 40.245 -1.030 8.072 1.00 35.89 N +ATOM 614 N GLU B 229 35.010 -1.271 10.992 1.00 29.29 N +ATOM 615 CA GLU B 229 33.742 -0.725 11.525 1.00 26.33 C +ATOM 616 C GLU B 229 34.085 0.145 12.730 1.00 26.89 C +ATOM 617 O GLU B 229 34.656 -0.366 13.688 1.00 30.03 O +ATOM 618 CB GLU B 229 32.773 -1.831 11.979 1.00 26.30 C +ATOM 619 CG GLU B 229 31.483 -1.260 12.592 1.00 23.68 C +ATOM 620 CD GLU B 229 30.543 -2.291 13.194 1.00 42.72 C +ATOM 621 OE1 GLU B 229 30.785 -3.501 13.024 1.00 49.34 O +ATOM 622 OE2 GLU B 229 29.546 -1.876 13.832 1.00 44.65 O +ATOM 623 N ALA B 230 33.716 1.433 12.705 1.00 25.26 N +ATOM 624 CA ALA B 230 34.107 2.383 13.765 1.00 22.02 C +ATOM 625 C ALA B 230 32.985 3.326 14.165 1.00 22.78 C +ATOM 626 O ALA B 230 32.260 3.823 13.323 1.00 26.05 O +ATOM 627 CB ALA B 230 35.312 3.214 13.327 1.00 23.33 C +ATOM 628 N ALA B 231 32.879 3.574 15.470 1.00 25.75 N +ATOM 629 CA ALA B 231 31.957 4.536 16.041 1.00 22.17 C +ATOM 630 C ALA B 231 32.702 5.857 16.202 1.00 21.09 C +ATOM 631 O ALA B 231 33.753 5.935 16.842 1.00 20.65 O +ATOM 632 CB ALA B 231 31.424 4.049 17.419 1.00 22.47 C +ATOM 633 N LEU B 232 32.189 6.884 15.567 1.00 18.03 N +ATOM 634 CA LEU B 232 32.767 8.213 15.700 1.00 18.08 C +ATOM 635 C LEU B 232 31.829 9.067 16.547 1.00 21.96 C +ATOM 636 O LEU B 232 30.603 8.999 16.401 1.00 21.82 O +ATOM 637 CB LEU B 232 32.895 8.872 14.340 1.00 22.12 C +ATOM 638 CG LEU B 232 33.717 8.104 13.314 1.00 21.49 C +ATOM 639 CD1 LEU B 232 33.711 8.958 12.043 1.00 20.73 C +ATOM 640 CD2 LEU B 232 35.122 7.784 13.771 1.00 27.67 C +ATOM 641 N LEU B 233 32.393 9.901 17.415 1.00 18.00 N +ATOM 642 CA LEU B 233 31.579 10.912 18.113 1.00 16.91 C +ATOM 643 C LEU B 233 31.868 12.274 17.522 1.00 16.84 C +ATOM 644 O LEU B 233 33.031 12.700 17.478 1.00 18.14 O +ATOM 645 CB LEU B 233 31.831 10.981 19.628 1.00 17.91 C +ATOM 646 CG LEU B 233 31.356 9.807 20.464 1.00 21.61 C +ATOM 647 CD1 LEU B 233 31.702 10.006 21.960 1.00 18.05 C +ATOM 648 CD2 LEU B 233 29.876 9.536 20.352 1.00 23.02 C +ATOM 649 N ILE B 234 30.814 12.918 17.020 1.00 18.45 N +ATOM 650 CA ILE B 234 30.930 14.254 16.423 1.00 18.26 C +ATOM 651 C ILE B 234 30.066 15.217 17.222 1.00 16.75 C +ATOM 652 O ILE B 234 29.237 14.822 18.017 1.00 18.33 O +ATOM 653 CB ILE B 234 30.538 14.304 14.921 1.00 19.53 C +ATOM 654 CG1 ILE B 234 29.100 13.837 14.711 1.00 20.06 C +ATOM 655 CG2 ILE B 234 31.499 13.471 14.124 1.00 20.18 C +ATOM 656 CD1 ILE B 234 28.631 13.925 13.243 1.00 21.09 C +ATOM 657 N GLU B 235 30.288 16.502 16.998 1.00 17.92 N +ATOM 658 CA GLU B 235 29.558 17.539 17.720 1.00 18.50 C +ATOM 659 C GLU B 235 29.127 18.649 16.771 1.00 19.63 C +ATOM 660 O GLU B 235 29.927 19.140 16.015 1.00 19.01 O +ATOM 661 CB GLU B 235 30.471 18.108 18.787 1.00 21.80 C +ATOM 662 CG GLU B 235 29.949 19.185 19.607 1.00 23.71 C +ATOM 663 CD GLU B 235 30.909 19.505 20.701 1.00 24.78 C +ATOM 664 OE1 GLU B 235 31.965 20.090 20.392 1.00 23.48 O +ATOM 665 OE2 GLU B 235 30.664 19.113 21.840 1.00 24.77 O +ATOM 666 N TYR B 236 27.858 19.004 16.817 1.00 18.64 N +ATOM 667 CA TYR B 236 27.308 20.022 15.979 1.00 17.78 C +ATOM 668 C TYR B 236 25.947 20.455 16.527 1.00 18.18 C +ATOM 669 O TYR B 236 25.499 19.958 17.556 1.00 16.76 O +ATOM 670 CB TYR B 236 27.210 19.568 14.529 1.00 17.12 C +ATOM 671 CG TYR B 236 26.285 18.405 14.268 1.00 15.11 C +ATOM 672 CD1 TYR B 236 24.965 18.609 13.910 1.00 18.93 C +ATOM 673 CD2 TYR B 236 26.709 17.096 14.449 1.00 17.89 C +ATOM 674 CE1 TYR B 236 24.141 17.528 13.723 1.00 20.86 C +ATOM 675 CE2 TYR B 236 25.917 16.018 14.221 1.00 20.29 C +ATOM 676 CZ TYR B 236 24.600 16.212 13.872 1.00 18.28 C +ATOM 677 OH TYR B 236 23.755 15.142 13.657 1.00 19.23 O +ATOM 678 N ASP B 237 25.366 21.480 15.907 1.00 19.55 N +ATOM 679 CA ASP B 237 24.118 22.007 16.404 1.00 20.25 C +ATOM 680 C ASP B 237 22.969 21.162 15.855 1.00 21.45 C +ATOM 681 O ASP B 237 22.655 21.203 14.659 1.00 18.10 O +ATOM 682 CB ASP B 237 24.000 23.463 15.972 1.00 19.83 C +ATOM 683 CG ASP B 237 22.760 24.159 16.508 1.00 26.86 C +ATOM 684 OD1 ASP B 237 22.018 23.609 17.324 1.00 24.32 O +ATOM 685 OD2 ASP B 237 22.539 25.325 16.086 1.00 31.47 O +ATOM 686 N VAL B 238 22.369 20.394 16.748 1.00 17.37 N +ATOM 687 CA VAL B 238 21.362 19.411 16.380 1.00 17.78 C +ATOM 688 C VAL B 238 19.924 19.899 16.610 1.00 19.53 C +ATOM 689 O VAL B 238 19.601 20.478 17.662 1.00 20.04 O +ATOM 690 CB VAL B 238 21.605 18.097 17.203 1.00 19.00 C +ATOM 691 CG1 VAL B 238 20.415 17.117 17.104 1.00 23.43 C +ATOM 692 CG2 VAL B 238 22.976 17.439 16.877 1.00 19.83 C +ATOM 693 N SER B 239 19.049 19.632 15.621 1.00 16.85 N +ATOM 694 CA SER B 239 17.612 19.736 15.830 1.00 15.24 C +ATOM 695 C SER B 239 17.058 18.375 16.243 1.00 18.38 C +ATOM 696 O SER B 239 17.203 17.445 15.494 1.00 18.82 O +ATOM 697 CB SER B 239 16.962 20.210 14.534 1.00 20.01 C +ATOM 698 OG SER B 239 17.435 21.475 14.162 1.00 20.80 O +ATOM 699 N GLU B 240 16.427 18.299 17.395 1.00 18.54 N +ATOM 700 CA GLU B 240 15.925 17.055 17.966 1.00 16.50 C +ATOM 701 C GLU B 240 14.538 17.293 18.615 1.00 18.00 C +ATOM 702 O GLU B 240 14.361 18.250 19.377 1.00 19.95 O +ATOM 703 CB GLU B 240 16.940 16.555 19.009 1.00 22.02 C +ATOM 704 CG GLU B 240 16.767 15.112 19.381 1.00 21.35 C +ATOM 705 CD GLU B 240 17.827 14.586 20.345 1.00 21.41 C +ATOM 706 OE1 GLU B 240 18.550 15.376 21.027 1.00 19.88 O +ATOM 707 OE2 GLU B 240 17.888 13.335 20.504 1.00 18.89 O +ATOM 708 N THR B 241 13.575 16.429 18.335 1.00 17.20 N +ATOM 709 CA THR B 241 12.201 16.564 18.813 1.00 17.38 C +ATOM 710 C THR B 241 11.590 15.214 19.145 1.00 16.10 C +ATOM 711 O THR B 241 11.767 14.284 18.386 1.00 16.91 O +ATOM 712 CB THR B 241 11.349 17.264 17.775 1.00 19.54 C +ATOM 713 OG1 THR B 241 11.952 18.507 17.419 1.00 21.35 O +ATOM 714 CG2 THR B 241 9.916 17.495 18.340 1.00 20.50 C +ATOM 715 N ALA B 242 10.884 15.117 20.276 1.00 16.12 N +ATOM 716 CA ALA B 242 10.093 13.963 20.632 1.00 14.46 C +ATOM 717 C ALA B 242 8.805 14.025 19.811 1.00 21.41 C +ATOM 718 O ALA B 242 8.188 15.096 19.645 1.00 21.85 O +ATOM 719 CB ALA B 242 9.758 13.950 22.096 1.00 16.21 C +ATOM 720 N VAL B 243 8.433 12.868 19.277 1.00 17.11 N +ATOM 721 CA VAL B 243 7.250 12.728 18.442 1.00 16.30 C +ATOM 722 C VAL B 243 6.493 11.452 18.784 1.00 14.48 C +ATOM 723 O VAL B 243 5.465 11.185 18.112 1.00 19.04 O +ATOM 724 CB VAL B 243 7.642 12.702 16.941 1.00 19.36 C +ATOM 725 CG1 VAL B 243 8.260 14.000 16.525 1.00 17.06 C +ATOM 726 CG2 VAL B 243 8.582 11.535 16.663 1.00 21.18 C +ATOM 727 OXT VAL B 243 6.809 10.687 19.699 1.00 15.27 O Added: SwiftApps/modFTdock/input/2jrj-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2jrj-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2jrj-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,813 @@ +ATOM 1 N GLU A 10 -14.240 -2.580 17.725 1.00 0.00 N +ATOM 2 CA GLU A 10 -13.842 -1.928 16.459 1.00 0.00 C +ATOM 3 C GLU A 10 -13.470 -2.987 15.427 1.00 0.00 C +ATOM 4 O GLU A 10 -12.742 -3.931 15.735 1.00 0.00 O +ATOM 5 CB GLU A 10 -12.665 -0.973 16.704 1.00 0.00 C +ATOM 6 CG GLU A 10 -12.219 -0.211 15.461 1.00 0.00 C +ATOM 7 CD GLU A 10 -11.178 0.851 15.765 1.00 0.00 C +ATOM 8 OE1 GLU A 10 -9.970 0.537 15.735 1.00 0.00 O +ATOM 9 OE2 GLU A 10 -11.566 2.009 16.038 1.00 0.00 O +ATOM 10 H1 GLU A 10 -14.472 -1.865 18.441 1.00 0.00 H +ATOM 11 H2 GLU A 10 -13.465 -3.173 18.080 1.00 0.00 H +ATOM 12 H3 GLU A 10 -15.076 -3.180 17.568 1.00 0.00 H +ATOM 13 HA GLU A 10 -14.688 -1.363 16.091 1.00 0.00 H +ATOM 14 HB2 GLU A 10 -12.955 -0.252 17.455 1.00 0.00 H +ATOM 15 HB3 GLU A 10 -11.823 -1.542 17.073 1.00 0.00 H +ATOM 16 HG2 GLU A 10 -11.801 -0.913 14.753 1.00 0.00 H +ATOM 17 HG3 GLU A 10 -13.083 0.267 15.019 1.00 0.00 H +ATOM 18 N ASN A 11 -13.979 -2.836 14.206 1.00 0.00 N +ATOM 19 CA ASN A 11 -13.734 -3.811 13.149 1.00 0.00 C +ATOM 20 C ASN A 11 -12.309 -3.677 12.623 1.00 0.00 C +ATOM 21 O ASN A 11 -12.057 -2.974 11.641 1.00 0.00 O +ATOM 22 CB ASN A 11 -14.741 -3.651 11.999 1.00 0.00 C +ATOM 23 CG ASN A 11 -16.177 -3.918 12.421 1.00 0.00 C +ATOM 24 OD1 ASN A 11 -16.436 -4.681 13.354 1.00 0.00 O +ATOM 25 ND2 ASN A 11 -17.122 -3.302 11.729 1.00 0.00 N +ATOM 26 H ASN A 11 -14.521 -2.042 14.007 1.00 0.00 H +ATOM 27 HA ASN A 11 -13.850 -4.798 13.579 1.00 0.00 H +ATOM 28 HB2 ASN A 11 -14.682 -2.641 11.618 1.00 0.00 H +ATOM 29 HB3 ASN A 11 -14.485 -4.341 11.207 1.00 0.00 H +ATOM 30 HD21 ASN A 11 -16.847 -2.715 10.991 1.00 0.00 H +ATOM 31 HD22 ASN A 11 -18.057 -3.456 11.981 1.00 0.00 H +ATOM 32 N VAL A 12 -11.378 -4.330 13.308 1.00 0.00 N +ATOM 33 CA VAL A 12 -9.970 -4.313 12.920 1.00 0.00 C +ATOM 34 C VAL A 12 -9.635 -5.521 12.049 1.00 0.00 C +ATOM 35 O VAL A 12 -8.592 -5.559 11.394 1.00 0.00 O +ATOM 36 CB VAL A 12 -9.041 -4.299 14.161 1.00 0.00 C +ATOM 37 CG1 VAL A 12 -9.293 -3.051 15.005 1.00 0.00 C +ATOM 38 CG2 VAL A 12 -9.224 -5.568 14.997 1.00 0.00 C +ATOM 39 H VAL A 12 -11.646 -4.835 14.108 1.00 0.00 H +ATOM 40 HA VAL A 12 -9.788 -3.411 12.350 1.00 0.00 H +ATOM 41 HB VAL A 12 -8.016 -4.267 13.815 1.00 0.00 H +ATOM 42 HG11 VAL A 12 -10.318 -3.046 15.348 1.00 0.00 H +ATOM 43 HG12 VAL A 12 -9.110 -2.168 14.409 1.00 0.00 H +ATOM 44 HG13 VAL A 12 -8.629 -3.051 15.858 1.00 0.00 H +ATOM 45 HG21 VAL A 12 -8.981 -6.435 14.398 1.00 0.00 H +ATOM 46 HG22 VAL A 12 -10.249 -5.639 15.330 1.00 0.00 H +ATOM 47 HG23 VAL A 12 -8.569 -5.532 15.856 1.00 0.00 H +ATOM 48 N SER A 13 -10.531 -6.507 12.052 1.00 0.00 N +ATOM 49 CA SER A 13 -10.360 -7.713 11.245 1.00 0.00 C +ATOM 50 C SER A 13 -10.506 -7.401 9.753 1.00 0.00 C +ATOM 51 O SER A 13 -10.108 -8.198 8.900 1.00 0.00 O +ATOM 52 CB SER A 13 -11.373 -8.780 11.672 1.00 0.00 C +ATOM 53 OG SER A 13 -11.167 -9.165 13.024 1.00 0.00 O +ATOM 54 H SER A 13 -11.327 -6.426 12.620 1.00 0.00 H +ATOM 55 HA SER A 13 -9.361 -8.089 11.423 1.00 0.00 H +ATOM 56 HB2 SER A 13 -12.375 -8.387 11.573 1.00 0.00 H +ATOM 57 HB3 SER A 13 -11.266 -9.653 11.043 1.00 0.00 H +ATOM 58 HG SER A 13 -10.455 -9.818 13.060 1.00 0.00 H +ATOM 59 N GLN A 14 -11.084 -6.242 9.445 1.00 0.00 N +ATOM 60 CA GLN A 14 -11.214 -5.786 8.065 1.00 0.00 C +ATOM 61 C GLN A 14 -10.255 -4.622 7.819 1.00 0.00 C +ATOM 62 O GLN A 14 -10.353 -3.570 8.455 1.00 0.00 O +ATOM 63 CB GLN A 14 -12.668 -5.403 7.748 1.00 0.00 C +ATOM 64 CG GLN A 14 -13.274 -4.352 8.672 1.00 0.00 C +ATOM 65 CD GLN A 14 -14.752 -4.120 8.397 1.00 0.00 C +ATOM 66 OE1 GLN A 14 -15.472 -5.034 7.989 1.00 0.00 O +ATOM 67 NE2 GLN A 14 -15.214 -2.898 8.611 1.00 0.00 N +ATOM 68 H GLN A 14 -11.417 -5.670 10.166 1.00 0.00 H +ATOM 69 HA GLN A 14 -10.924 -6.608 7.420 1.00 0.00 H +ATOM 70 HB2 GLN A 14 -12.713 -5.024 6.737 1.00 0.00 H +ATOM 71 HB3 GLN A 14 -13.277 -6.295 7.809 1.00 0.00 H +ATOM 72 HG2 GLN A 14 -13.162 -4.680 9.696 1.00 0.00 H +ATOM 73 HG3 GLN A 14 -12.745 -3.419 8.534 1.00 0.00 H +ATOM 74 HE21 GLN A 14 -14.589 -2.214 8.932 1.00 0.00 H +ATOM 75 HE22 GLN A 14 -16.161 -2.724 8.431 1.00 0.00 H +ATOM 76 N GLN A 15 -9.326 -4.827 6.892 1.00 0.00 N +ATOM 77 CA GLN A 15 -8.205 -3.915 6.695 1.00 0.00 C +ATOM 78 C GLN A 15 -8.624 -2.653 5.946 1.00 0.00 C +ATOM 79 O GLN A 15 -9.674 -2.612 5.299 1.00 0.00 O +ATOM 80 CB GLN A 15 -7.078 -4.628 5.933 1.00 0.00 C +ATOM 81 CG GLN A 15 -6.783 -6.033 6.451 1.00 0.00 C +ATOM 82 CD GLN A 15 -6.542 -6.080 7.952 1.00 0.00 C +ATOM 83 OE1 GLN A 15 -6.017 -5.138 8.544 1.00 0.00 O +ATOM 84 NE2 GLN A 15 -6.932 -7.180 8.578 1.00 0.00 N +ATOM 85 H GLN A 15 -9.402 -5.617 6.316 1.00 0.00 H +ATOM 86 HA GLN A 15 -7.836 -3.631 7.670 1.00 0.00 H +ATOM 87 HB2 GLN A 15 -7.354 -4.704 4.889 1.00 0.00 H +ATOM 88 HB3 GLN A 15 -6.174 -4.040 6.014 1.00 0.00 H +ATOM 89 HG2 GLN A 15 -7.625 -6.671 6.219 1.00 0.00 H +ATOM 90 HG3 GLN A 15 -5.903 -6.410 5.949 1.00 0.00 H +ATOM 91 HE21 GLN A 15 -7.346 -7.894 8.046 1.00 0.00 H +ATOM 92 HE22 GLN A 15 -6.804 -7.231 9.547 1.00 0.00 H +ATOM 93 N ASN A 16 -7.785 -1.630 6.039 1.00 0.00 N +ATOM 94 CA ASN A 16 -8.013 -0.359 5.363 1.00 0.00 C +ATOM 95 C ASN A 16 -6.697 0.165 4.799 1.00 0.00 C +ATOM 96 O ASN A 16 -5.620 -0.300 5.173 1.00 0.00 O +ATOM 97 CB ASN A 16 -8.634 0.679 6.319 1.00 0.00 C +ATOM 98 CG ASN A 16 -7.795 0.946 7.565 1.00 0.00 C +ATOM 99 OD1 ASN A 16 -6.579 0.750 7.579 1.00 0.00 O +ATOM 100 ND2 ASN A 16 -8.437 1.423 8.620 1.00 0.00 N +ATOM 101 H ASN A 16 -6.973 -1.733 6.579 1.00 0.00 H +ATOM 102 HA ASN A 16 -8.695 -0.536 4.542 1.00 0.00 H +ATOM 103 HB2 ASN A 16 -8.757 1.614 5.790 1.00 0.00 H +ATOM 104 HB3 ASN A 16 -9.607 0.325 6.632 1.00 0.00 H +ATOM 105 HD21 ASN A 16 -9.404 1.582 8.545 1.00 0.00 H +ATOM 106 HD22 ASN A 16 -7.920 1.605 9.433 1.00 0.00 H +ATOM 107 N CYS A 17 -6.788 1.104 3.872 1.00 0.00 N +ATOM 108 CA CYS A 17 -5.608 1.752 3.323 1.00 0.00 C +ATOM 109 C CYS A 17 -5.297 3.033 4.095 1.00 0.00 C +ATOM 110 O CYS A 17 -5.994 4.036 3.933 1.00 0.00 O +ATOM 111 CB CYS A 17 -5.827 2.108 1.856 1.00 0.00 C +ATOM 112 SG CYS A 17 -4.481 3.119 1.172 1.00 0.00 S +ATOM 113 H CYS A 17 -7.672 1.374 3.554 1.00 0.00 H +ATOM 114 HA CYS A 17 -4.770 1.068 3.396 1.00 0.00 H +ATOM 115 HB2 CYS A 17 -5.894 1.201 1.272 1.00 0.00 H +ATOM 116 HB3 CYS A 17 -6.745 2.670 1.755 1.00 0.00 H +ATOM 117 N PRO A 18 -4.220 3.045 4.903 1.00 0.00 N +ATOM 118 CA PRO A 18 -3.815 4.242 5.651 1.00 0.00 C +ATOM 119 C PRO A 18 -3.204 5.296 4.729 1.00 0.00 C +ATOM 120 O PRO A 18 -3.115 6.471 5.081 1.00 0.00 O +ATOM 121 CB PRO A 18 -2.773 3.707 6.642 1.00 0.00 C +ATOM 122 CG PRO A 18 -2.200 2.507 5.969 1.00 0.00 C +ATOM 123 CD PRO A 18 -3.329 1.896 5.176 1.00 0.00 C +ATOM 124 HA PRO A 18 -4.647 4.674 6.190 1.00 0.00 H +ATOM 125 HB2 PRO A 18 -2.019 4.460 6.826 1.00 0.00 H +ATOM 126 HB3 PRO A 18 -3.257 3.443 7.572 1.00 0.00 H +ATOM 127 HG2 PRO A 18 -1.396 2.804 5.309 1.00 0.00 H +ATOM 128 HG3 PRO A 18 -1.838 1.806 6.709 1.00 0.00 H +ATOM 129 HD2 PRO A 18 -2.958 1.469 4.255 1.00 0.00 H +ATOM 130 HD3 PRO A 18 -3.840 1.144 5.762 1.00 0.00 H +ATOM 131 N ILE A 19 -2.815 4.859 3.528 1.00 0.00 N +ATOM 132 CA ILE A 19 -2.169 5.735 2.551 1.00 0.00 C +ATOM 133 C ILE A 19 -3.113 6.864 2.117 1.00 0.00 C +ATOM 134 O ILE A 19 -2.663 7.918 1.671 1.00 0.00 O +ATOM 135 CB ILE A 19 -1.695 4.943 1.293 1.00 0.00 C +ATOM 136 CG1 ILE A 19 -1.000 3.628 1.699 1.00 0.00 C +ATOM 137 CG2 ILE A 19 -0.752 5.800 0.443 1.00 0.00 C +ATOM 138 CD1 ILE A 19 0.264 3.815 2.513 1.00 0.00 C +ATOM 139 H ILE A 19 -2.956 3.919 3.303 1.00 0.00 H +ATOM 140 HA ILE A 19 -1.299 6.171 3.024 1.00 0.00 H +ATOM 141 HB ILE A 19 -2.562 4.707 0.686 1.00 0.00 H +ATOM 142 HG12 ILE A 19 -1.684 3.037 2.290 1.00 0.00 H +ATOM 143 HG13 ILE A 19 -0.739 3.076 0.807 1.00 0.00 H +ATOM 144 HG21 ILE A 19 0.113 6.077 1.028 1.00 0.00 H +ATOM 145 HG22 ILE A 19 -1.267 6.694 0.120 1.00 0.00 H +ATOM 146 HG23 ILE A 19 -0.435 5.238 -0.424 1.00 0.00 H +ATOM 147 HD11 ILE A 19 0.037 4.370 3.412 1.00 0.00 H +ATOM 148 HD12 ILE A 19 0.993 4.358 1.930 1.00 0.00 H +ATOM 149 HD13 ILE A 19 0.665 2.848 2.780 1.00 0.00 H +ATOM 150 N CYS A 20 -4.424 6.645 2.260 1.00 0.00 N +ATOM 151 CA CYS A 20 -5.412 7.653 1.855 1.00 0.00 C +ATOM 152 C CYS A 20 -6.781 7.401 2.504 1.00 0.00 C +ATOM 153 O CYS A 20 -7.795 7.923 2.040 1.00 0.00 O +ATOM 154 CB CYS A 20 -5.559 7.662 0.329 1.00 0.00 C +ATOM 155 SG CYS A 20 -6.345 6.163 -0.333 1.00 0.00 S +ATOM 156 H CYS A 20 -4.730 5.803 2.649 1.00 0.00 H +ATOM 157 HA CYS A 20 -5.051 8.620 2.177 1.00 0.00 H +ATOM 158 HB2 CYS A 20 -6.162 8.509 0.034 1.00 0.00 H +ATOM 159 HB3 CYS A 20 -4.581 7.749 -0.122 1.00 0.00 H +ATOM 160 N LEU A 21 -6.803 6.602 3.576 1.00 0.00 N +ATOM 161 CA LEU A 21 -8.034 6.330 4.338 1.00 0.00 C +ATOM 162 C LEU A 21 -9.131 5.690 3.472 1.00 0.00 C +ATOM 163 O LEU A 21 -10.320 5.945 3.675 1.00 0.00 O +ATOM 164 CB LEU A 21 -8.555 7.623 4.988 1.00 0.00 C +ATOM 165 CG LEU A 21 -7.598 8.287 5.993 1.00 0.00 C +ATOM 166 CD1 LEU A 21 -8.214 9.560 6.566 1.00 0.00 C +ATOM 167 CD2 LEU A 21 -7.226 7.315 7.112 1.00 0.00 C +ATOM 168 H LEU A 21 -5.969 6.195 3.880 1.00 0.00 H +ATOM 169 HA LEU A 21 -7.776 5.634 5.123 1.00 0.00 H +ATOM 170 HB2 LEU A 21 -8.768 8.335 4.200 1.00 0.00 H +ATOM 171 HB3 LEU A 21 -9.479 7.396 5.501 1.00 0.00 H +ATOM 172 HG LEU A 21 -6.688 8.566 5.479 1.00 0.00 H +ATOM 173 HD11 LEU A 21 -7.529 10.006 7.272 1.00 0.00 H +ATOM 174 HD12 LEU A 21 -9.141 9.320 7.068 1.00 0.00 H +ATOM 175 HD13 LEU A 21 -8.409 10.258 5.766 1.00 0.00 H +ATOM 176 HD21 LEU A 21 -6.735 6.449 6.691 1.00 0.00 H +ATOM 177 HD22 LEU A 21 -8.120 7.002 7.634 1.00 0.00 H +ATOM 178 HD23 LEU A 21 -6.557 7.803 7.807 1.00 0.00 H +ATOM 179 N GLU A 22 -8.729 4.845 2.526 1.00 0.00 N +ATOM 180 CA GLU A 22 -9.685 4.099 1.696 1.00 0.00 C +ATOM 181 C GLU A 22 -9.764 2.645 2.156 1.00 0.00 C +ATOM 182 O GLU A 22 -9.128 2.268 3.139 1.00 0.00 O +ATOM 183 CB GLU A 22 -9.293 4.152 0.210 1.00 0.00 C +ATOM 184 CG GLU A 22 -9.511 5.512 -0.442 1.00 0.00 C +ATOM 185 CD GLU A 22 -9.309 5.476 -1.951 1.00 0.00 C +ATOM 186 OE1 GLU A 22 -10.241 5.062 -2.671 1.00 0.00 O +ATOM 187 OE2 GLU A 22 -8.220 5.859 -2.424 1.00 0.00 O +ATOM 188 H GLU A 22 -7.776 4.705 2.393 1.00 0.00 H +ATOM 189 HA GLU A 22 -10.660 4.551 1.819 1.00 0.00 H +ATOM 190 HB2 GLU A 22 -8.246 3.897 0.115 1.00 0.00 H +ATOM 191 HB3 GLU A 22 -9.879 3.422 -0.331 1.00 0.00 H +ATOM 192 HG2 GLU A 22 -10.522 5.836 -0.236 1.00 0.00 H +ATOM 193 HG3 GLU A 22 -8.815 6.220 -0.013 1.00 0.00 H +ATOM 194 N ASP A 23 -10.532 1.836 1.434 1.00 0.00 N +ATOM 195 CA ASP A 23 -10.683 0.411 1.746 1.00 0.00 C +ATOM 196 C ASP A 23 -9.491 -0.389 1.209 1.00 0.00 C +ATOM 197 O ASP A 23 -8.726 0.107 0.372 1.00 0.00 O +ATOM 198 CB ASP A 23 -12.000 -0.120 1.148 1.00 0.00 C +ATOM 199 CG ASP A 23 -12.249 -1.594 1.452 1.00 0.00 C +ATOM 200 OD1 ASP A 23 -12.800 -1.903 2.533 1.00 0.00 O +ATOM 201 OD2 ASP A 23 -11.898 -2.451 0.612 1.00 0.00 O +ATOM 202 H ASP A 23 -11.018 2.204 0.663 1.00 0.00 H +ATOM 203 HA ASP A 23 -10.717 0.307 2.822 1.00 0.00 H +ATOM 204 HB2 ASP A 23 -12.824 0.453 1.550 1.00 0.00 H +ATOM 205 HB3 ASP A 23 -11.975 0.010 0.074 1.00 0.00 H +ATOM 206 N ILE A 24 -9.320 -1.609 1.722 1.00 0.00 N +ATOM 207 CA ILE A 24 -8.278 -2.525 1.262 1.00 0.00 C +ATOM 208 C ILE A 24 -8.622 -3.958 1.673 1.00 0.00 C +ATOM 209 O ILE A 24 -9.331 -4.176 2.656 1.00 0.00 O +ATOM 210 CB ILE A 24 -6.865 -2.117 1.798 1.00 0.00 C +ATOM 211 CG1 ILE A 24 -6.042 -1.467 0.670 1.00 0.00 C +ATOM 212 CG2 ILE A 24 -6.109 -3.302 2.410 1.00 0.00 C +ATOM 213 CD1 ILE A 24 -4.621 -1.126 1.057 1.00 0.00 C +ATOM 214 H ILE A 24 -9.925 -1.911 2.432 1.00 0.00 H +ATOM 215 HA ILE A 24 -8.259 -2.479 0.179 1.00 0.00 H +ATOM 216 HB ILE A 24 -7.009 -1.386 2.581 1.00 0.00 H +ATOM 217 HG12 ILE A 24 -5.996 -2.144 -0.170 1.00 0.00 H +ATOM 218 HG13 ILE A 24 -6.528 -0.553 0.360 1.00 0.00 H +ATOM 219 HG21 ILE A 24 -6.688 -3.717 3.223 1.00 0.00 H +ATOM 220 HG22 ILE A 24 -5.152 -2.968 2.787 1.00 0.00 H +ATOM 221 HG23 ILE A 24 -5.953 -4.060 1.656 1.00 0.00 H +ATOM 222 HD11 ILE A 24 -4.626 -0.486 1.927 1.00 0.00 H +ATOM 223 HD12 ILE A 24 -4.143 -0.613 0.237 1.00 0.00 H +ATOM 224 HD13 ILE A 24 -4.079 -2.033 1.279 1.00 0.00 H +ATOM 225 N HIS A 25 -8.119 -4.929 0.910 1.00 0.00 N +ATOM 226 CA HIS A 25 -8.365 -6.343 1.183 1.00 0.00 C +ATOM 227 C HIS A 25 -7.147 -7.179 0.790 1.00 0.00 C +ATOM 228 O HIS A 25 -6.276 -6.708 0.057 1.00 0.00 O +ATOM 229 CB HIS A 25 -9.631 -6.832 0.457 1.00 0.00 C +ATOM 230 CG HIS A 25 -9.643 -6.581 -1.025 1.00 0.00 C +ATOM 231 ND1 HIS A 25 -9.906 -7.561 -1.955 1.00 0.00 N +ATOM 232 CD2 HIS A 25 -9.469 -5.439 -1.730 1.00 0.00 C +ATOM 233 CE1 HIS A 25 -9.894 -7.033 -3.164 1.00 0.00 C +ATOM 234 NE2 HIS A 25 -9.632 -5.743 -3.059 1.00 0.00 N +ATOM 235 H HIS A 25 -7.548 -4.688 0.151 1.00 0.00 H +ATOM 236 HA HIS A 25 -8.515 -6.449 2.250 1.00 0.00 H +ATOM 237 HB2 HIS A 25 -9.734 -7.895 0.610 1.00 0.00 H +ATOM 238 HB3 HIS A 25 -10.490 -6.331 0.881 1.00 0.00 H +ATOM 239 HD1 HIS A 25 -10.090 -8.510 -1.758 1.00 0.00 H +ATOM 240 HD2 HIS A 25 -9.239 -4.466 -1.321 1.00 0.00 H +ATOM 241 HE1 HIS A 25 -10.070 -7.567 -4.086 1.00 0.00 H +ATOM 242 HE2 HIS A 25 -9.855 -5.081 -3.752 1.00 0.00 H +ATOM 243 N THR A 26 -7.106 -8.415 1.279 1.00 0.00 N +ATOM 244 CA THR A 26 -5.937 -9.285 1.144 1.00 0.00 C +ATOM 245 C THR A 26 -5.632 -9.662 -0.311 1.00 0.00 C +ATOM 246 O THR A 26 -4.494 -10.004 -0.640 1.00 0.00 O +ATOM 247 CB THR A 26 -6.131 -10.571 1.980 1.00 0.00 C +ATOM 248 OG1 THR A 26 -7.438 -11.110 1.734 1.00 0.00 O +ATOM 249 CG2 THR A 26 -5.966 -10.290 3.473 1.00 0.00 C +ATOM 250 H THR A 26 -7.893 -8.761 1.751 1.00 0.00 H +ATOM 251 HA THR A 26 -5.085 -8.754 1.545 1.00 0.00 H +ATOM 252 HB THR A 26 -5.387 -11.298 1.680 1.00 0.00 H +ATOM 253 HG1 THR A 26 -7.352 -11.963 1.290 1.00 0.00 H +ATOM 254 HG21 THR A 26 -6.699 -9.561 3.787 1.00 0.00 H +ATOM 255 HG22 THR A 26 -4.973 -9.906 3.661 1.00 0.00 H +ATOM 256 HG23 THR A 26 -6.108 -11.205 4.030 1.00 0.00 H +ATOM 257 N SER A 27 -6.646 -9.615 -1.172 1.00 0.00 N +ATOM 258 CA SER A 27 -6.466 -9.938 -2.586 1.00 0.00 C +ATOM 259 C SER A 27 -5.430 -9.007 -3.226 1.00 0.00 C +ATOM 260 O SER A 27 -5.661 -7.802 -3.373 1.00 0.00 O +ATOM 261 CB SER A 27 -7.803 -9.845 -3.328 1.00 0.00 C +ATOM 262 OG SER A 27 -7.671 -10.240 -4.682 1.00 0.00 O +ATOM 263 H SER A 27 -7.536 -9.366 -0.848 1.00 0.00 H +ATOM 264 HA SER A 27 -6.103 -10.956 -2.646 1.00 0.00 H +ATOM 265 HB2 SER A 27 -8.524 -10.491 -2.850 1.00 0.00 H +ATOM 266 HB3 SER A 27 -8.160 -8.826 -3.298 1.00 0.00 H +ATOM 267 HG SER A 27 -7.852 -11.186 -4.758 1.00 0.00 H +ATOM 268 N ARG A 28 -4.291 -9.581 -3.612 1.00 0.00 N +ATOM 269 CA ARG A 28 -3.162 -8.807 -4.133 1.00 0.00 C +ATOM 270 C ARG A 28 -3.102 -8.860 -5.658 1.00 0.00 C +ATOM 271 O ARG A 28 -2.072 -8.544 -6.265 1.00 0.00 O +ATOM 272 CB ARG A 28 -1.829 -9.292 -3.530 1.00 0.00 C +ATOM 273 CG ARG A 28 -1.507 -10.771 -3.758 1.00 0.00 C +ATOM 274 CD ARG A 28 -2.236 -11.679 -2.772 1.00 0.00 C +ATOM 275 NE ARG A 28 -1.889 -13.089 -2.966 1.00 0.00 N +ATOM 276 CZ ARG A 28 -1.086 -13.782 -2.158 1.00 0.00 C +ATOM 277 NH1 ARG A 28 -0.478 -13.185 -1.137 1.00 0.00 N +ATOM 278 NH2 ARG A 28 -0.878 -15.070 -2.386 1.00 0.00 N +ATOM 279 H ARG A 28 -4.217 -10.556 -3.561 1.00 0.00 H +ATOM 280 HA ARG A 28 -3.313 -7.776 -3.841 1.00 0.00 H +ATOM 281 HB2 ARG A 28 -1.027 -8.707 -3.958 1.00 0.00 H +ATOM 282 HB3 ARG A 28 -1.851 -9.112 -2.463 1.00 0.00 H +ATOM 283 HG2 ARG A 28 -1.798 -11.043 -4.762 1.00 0.00 H +ATOM 284 HG3 ARG A 28 -0.440 -10.916 -3.643 1.00 0.00 H +ATOM 285 HD2 ARG A 28 -1.973 -11.385 -1.765 1.00 0.00 H +ATOM 286 HD3 ARG A 28 -3.301 -11.559 -2.913 1.00 0.00 H +ATOM 287 HE ARG A 28 -2.294 -13.549 -3.738 1.00 0.00 H +ATOM 288 HH11 ARG A 28 -0.615 -12.204 -0.969 1.00 0.00 H +ATOM 289 HH12 ARG A 28 0.118 -13.714 -0.525 1.00 0.00 H +ATOM 290 HH21 ARG A 28 -1.328 -15.523 -3.162 1.00 0.00 H +ATOM 291 HH22 ARG A 28 -0.267 -15.598 -1.789 1.00 0.00 H +ATOM 292 N VAL A 29 -4.202 -9.267 -6.279 1.00 0.00 N +ATOM 293 CA VAL A 29 -4.310 -9.225 -7.734 1.00 0.00 C +ATOM 294 C VAL A 29 -4.552 -7.786 -8.191 1.00 0.00 C +ATOM 295 O VAL A 29 -4.051 -7.354 -9.234 1.00 0.00 O +ATOM 296 CB VAL A 29 -5.440 -10.154 -8.255 1.00 0.00 C +ATOM 297 CG1 VAL A 29 -6.792 -9.769 -7.661 1.00 0.00 C +ATOM 298 CG2 VAL A 29 -5.492 -10.143 -9.783 1.00 0.00 C +ATOM 299 H VAL A 29 -4.954 -9.608 -5.749 1.00 0.00 H +ATOM 300 HA VAL A 29 -3.369 -9.568 -8.147 1.00 0.00 H +ATOM 301 HB VAL A 29 -5.215 -11.163 -7.937 1.00 0.00 H +ATOM 302 HG11 VAL A 29 -6.742 -9.826 -6.583 1.00 0.00 H +ATOM 303 HG12 VAL A 29 -7.552 -10.448 -8.021 1.00 0.00 H +ATOM 304 HG13 VAL A 29 -7.044 -8.760 -7.955 1.00 0.00 H +ATOM 305 HG21 VAL A 29 -4.541 -10.468 -10.180 1.00 0.00 H +ATOM 306 HG22 VAL A 29 -5.705 -9.142 -10.132 1.00 0.00 H +ATOM 307 HG23 VAL A 29 -6.269 -10.814 -10.122 1.00 0.00 H +ATOM 308 N VAL A 30 -5.311 -7.045 -7.387 1.00 0.00 N +ATOM 309 CA VAL A 30 -5.577 -5.633 -7.645 1.00 0.00 C +ATOM 310 C VAL A 30 -4.622 -4.762 -6.830 1.00 0.00 C +ATOM 311 O VAL A 30 -4.018 -3.821 -7.351 1.00 0.00 O +ATOM 312 CB VAL A 30 -7.040 -5.256 -7.298 1.00 0.00 C +ATOM 313 CG1 VAL A 30 -7.308 -3.778 -7.584 1.00 0.00 C +ATOM 314 CG2 VAL A 30 -8.020 -6.142 -8.065 1.00 0.00 C +ATOM 315 H VAL A 30 -5.705 -7.463 -6.595 1.00 0.00 H +ATOM 316 HA VAL A 30 -5.414 -5.444 -8.699 1.00 0.00 H +ATOM 317 HB VAL A 30 -7.190 -5.426 -6.239 1.00 0.00 H +ATOM 318 HG11 VAL A 30 -8.335 -3.544 -7.344 1.00 0.00 H +ATOM 319 HG12 VAL A 30 -7.128 -3.574 -8.630 1.00 0.00 H +ATOM 320 HG13 VAL A 30 -6.651 -3.167 -6.981 1.00 0.00 H +ATOM 321 HG21 VAL A 30 -7.872 -6.007 -9.127 1.00 0.00 H +ATOM 322 HG22 VAL A 30 -9.034 -5.870 -7.806 1.00 0.00 H +ATOM 323 HG23 VAL A 30 -7.849 -7.177 -7.808 1.00 0.00 H +ATOM 324 N ALA A 31 -4.485 -5.089 -5.546 1.00 0.00 N +ATOM 325 CA ALA A 31 -3.592 -4.355 -4.655 1.00 0.00 C +ATOM 326 C ALA A 31 -2.144 -4.778 -4.885 1.00 0.00 C +ATOM 327 O ALA A 31 -1.814 -5.959 -4.788 1.00 0.00 O +ATOM 328 CB ALA A 31 -3.991 -4.578 -3.198 1.00 0.00 C +ATOM 329 H ALA A 31 -4.990 -5.848 -5.191 1.00 0.00 H +ATOM 330 HA ALA A 31 -3.692 -3.300 -4.874 1.00 0.00 H +ATOM 331 HB1 ALA A 31 -5.015 -4.265 -3.051 1.00 0.00 H +ATOM 332 HB2 ALA A 31 -3.344 -4.000 -2.552 1.00 0.00 H +ATOM 333 HB3 ALA A 31 -3.898 -5.627 -2.953 1.00 0.00 H +ATOM 334 N HIS A 32 -1.289 -3.810 -5.200 1.00 0.00 N +ATOM 335 CA HIS A 32 0.124 -4.080 -5.447 1.00 0.00 C +ATOM 336 C HIS A 32 0.834 -4.373 -4.126 1.00 0.00 C +ATOM 337 O HIS A 32 0.576 -3.715 -3.116 1.00 0.00 O +ATOM 338 CB HIS A 32 0.779 -2.884 -6.158 1.00 0.00 C +ATOM 339 CG HIS A 32 2.172 -3.152 -6.661 1.00 0.00 C +ATOM 340 ND1 HIS A 32 2.471 -3.285 -7.999 1.00 0.00 N +ATOM 341 CD2 HIS A 32 3.349 -3.295 -6.002 1.00 0.00 C +ATOM 342 CE1 HIS A 32 3.764 -3.500 -8.141 1.00 0.00 C +ATOM 343 NE2 HIS A 32 4.321 -3.510 -6.946 1.00 0.00 N +ATOM 344 H HIS A 32 -1.613 -2.888 -5.252 1.00 0.00 H +ATOM 345 HA HIS A 32 0.192 -4.952 -6.084 1.00 0.00 H +ATOM 346 HB2 HIS A 32 0.172 -2.605 -7.006 1.00 0.00 H +ATOM 347 HB3 HIS A 32 0.828 -2.049 -5.472 1.00 0.00 H +ATOM 348 HD1 HIS A 32 1.830 -3.234 -8.740 1.00 0.00 H +ATOM 349 HD2 HIS A 32 3.493 -3.249 -4.932 1.00 0.00 H +ATOM 350 HE1 HIS A 32 4.281 -3.644 -9.078 1.00 0.00 H +ATOM 351 HE2 HIS A 32 5.237 -3.821 -6.758 1.00 0.00 H +ATOM 352 N VAL A 33 1.716 -5.363 -4.139 1.00 0.00 N +ATOM 353 CA VAL A 33 2.449 -5.763 -2.943 1.00 0.00 C +ATOM 354 C VAL A 33 3.748 -4.969 -2.812 1.00 0.00 C +ATOM 355 O VAL A 33 4.598 -5.009 -3.705 1.00 0.00 O +ATOM 356 CB VAL A 33 2.795 -7.275 -2.971 1.00 0.00 C +ATOM 357 CG1 VAL A 33 3.387 -7.727 -1.635 1.00 0.00 C +ATOM 358 CG2 VAL A 33 1.569 -8.110 -3.335 1.00 0.00 C +ATOM 359 H VAL A 33 1.880 -5.845 -4.977 1.00 0.00 H +ATOM 360 HA VAL A 33 1.824 -5.571 -2.080 1.00 0.00 H +ATOM 361 HB VAL A 33 3.545 -7.433 -3.735 1.00 0.00 H +ATOM 362 HG11 VAL A 33 4.288 -7.166 -1.430 1.00 0.00 H +ATOM 363 HG12 VAL A 33 3.625 -8.781 -1.684 1.00 0.00 H +ATOM 364 HG13 VAL A 33 2.670 -7.558 -0.845 1.00 0.00 H +ATOM 365 HG21 VAL A 33 0.800 -7.968 -2.591 1.00 0.00 H +ATOM 366 HG22 VAL A 33 1.842 -9.156 -3.373 1.00 0.00 H +ATOM 367 HG23 VAL A 33 1.196 -7.803 -4.302 1.00 0.00 H +ATOM 368 N LEU A 34 3.886 -4.230 -1.717 1.00 0.00 N +ATOM 369 CA LEU A 34 5.160 -3.601 -1.374 1.00 0.00 C +ATOM 370 C LEU A 34 6.170 -4.684 -0.987 1.00 0.00 C +ATOM 371 O LEU A 34 5.782 -5.735 -0.475 1.00 0.00 O +ATOM 372 CB LEU A 34 5.001 -2.608 -0.207 1.00 0.00 C +ATOM 373 CG LEU A 34 4.231 -1.310 -0.512 1.00 0.00 C +ATOM 374 CD1 LEU A 34 4.107 -0.461 0.754 1.00 0.00 C +ATOM 375 CD2 LEU A 34 4.919 -0.514 -1.626 1.00 0.00 C +ATOM 376 H LEU A 34 3.111 -4.107 -1.126 1.00 0.00 H +ATOM 377 HA LEU A 34 5.522 -3.075 -2.247 1.00 0.00 H +ATOM 378 HB2 LEU A 34 4.492 -3.119 0.598 1.00 0.00 H +ATOM 379 HB3 LEU A 34 5.991 -2.336 0.137 1.00 0.00 H +ATOM 380 HG LEU A 34 3.232 -1.559 -0.844 1.00 0.00 H +ATOM 381 HD11 LEU A 34 5.093 -0.197 1.110 1.00 0.00 H +ATOM 382 HD12 LEU A 34 3.592 -1.024 1.519 1.00 0.00 H +ATOM 383 HD13 LEU A 34 3.550 0.438 0.535 1.00 0.00 H +ATOM 384 HD21 LEU A 34 4.366 0.397 -1.818 1.00 0.00 H +ATOM 385 HD22 LEU A 34 4.952 -1.107 -2.528 1.00 0.00 H +ATOM 386 HD23 LEU A 34 5.926 -0.263 -1.325 1.00 0.00 H +ATOM 387 N PRO A 35 7.479 -4.437 -1.186 1.00 0.00 N +ATOM 388 CA PRO A 35 8.520 -5.432 -0.889 1.00 0.00 C +ATOM 389 C PRO A 35 8.632 -5.724 0.611 1.00 0.00 C +ATOM 390 O PRO A 35 9.340 -6.643 1.025 1.00 0.00 O +ATOM 391 CB PRO A 35 9.805 -4.786 -1.429 1.00 0.00 C +ATOM 392 CG PRO A 35 9.525 -3.322 -1.441 1.00 0.00 C +ATOM 393 CD PRO A 35 8.049 -3.177 -1.707 1.00 0.00 C +ATOM 394 HA PRO A 35 8.333 -6.359 -1.414 1.00 0.00 H +ATOM 395 HB2 PRO A 35 10.639 -5.025 -0.782 1.00 0.00 H +ATOM 396 HB3 PRO A 35 10.004 -5.156 -2.426 1.00 0.00 H +ATOM 397 HG2 PRO A 35 9.778 -2.892 -0.481 1.00 0.00 H +ATOM 398 HG3 PRO A 35 10.095 -2.844 -2.225 1.00 0.00 H +ATOM 399 HD2 PRO A 35 7.652 -2.325 -1.173 1.00 0.00 H +ATOM 400 HD3 PRO A 35 7.859 -3.078 -2.765 1.00 0.00 H +ATOM 401 N CYS A 36 7.931 -4.930 1.418 1.00 0.00 N +ATOM 402 CA CYS A 36 7.886 -5.132 2.869 1.00 0.00 C +ATOM 403 C CYS A 36 6.587 -5.848 3.268 1.00 0.00 C +ATOM 404 O CYS A 36 6.248 -5.934 4.447 1.00 0.00 O +ATOM 405 CB CYS A 36 8.014 -3.783 3.585 1.00 0.00 C +ATOM 406 SG CYS A 36 8.103 -3.865 5.406 1.00 0.00 S +ATOM 407 H CYS A 36 7.442 -4.176 1.029 1.00 0.00 H +ATOM 408 HA CYS A 36 8.724 -5.758 3.146 1.00 0.00 H +ATOM 409 HB2 CYS A 36 8.909 -3.288 3.241 1.00 0.00 H +ATOM 410 HB3 CYS A 36 7.156 -3.174 3.329 1.00 0.00 H +ATOM 411 N GLY A 37 5.851 -6.337 2.263 1.00 0.00 N +ATOM 412 CA GLY A 37 4.716 -7.224 2.506 1.00 0.00 C +ATOM 413 C GLY A 37 3.376 -6.515 2.657 1.00 0.00 C +ATOM 414 O GLY A 37 2.382 -7.148 3.015 1.00 0.00 O +ATOM 415 H GLY A 37 6.083 -6.096 1.342 1.00 0.00 H +ATOM 416 HA2 GLY A 37 4.642 -7.913 1.678 1.00 0.00 H +ATOM 417 HA3 GLY A 37 4.909 -7.794 3.406 1.00 0.00 H +ATOM 418 N HIS A 38 3.333 -5.214 2.379 1.00 0.00 N +ATOM 419 CA HIS A 38 2.090 -4.441 2.523 1.00 0.00 C +ATOM 420 C HIS A 38 1.344 -4.353 1.200 1.00 0.00 C +ATOM 421 O HIS A 38 1.939 -4.498 0.138 1.00 0.00 O +ATOM 422 CB HIS A 38 2.377 -3.032 3.036 1.00 0.00 C +ATOM 423 CG HIS A 38 3.210 -3.012 4.265 1.00 0.00 C +ATOM 424 ND1 HIS A 38 2.895 -3.677 5.430 1.00 0.00 N +ATOM 425 CD2 HIS A 38 4.386 -2.399 4.489 1.00 0.00 C +ATOM 426 CE1 HIS A 38 3.879 -3.449 6.303 1.00 0.00 C +ATOM 427 NE2 HIS A 38 4.806 -2.677 5.775 1.00 0.00 N +ATOM 428 H HIS A 38 4.144 -4.767 2.063 1.00 0.00 H +ATOM 429 HA HIS A 38 1.461 -4.952 3.240 1.00 0.00 H +ATOM 430 HB2 HIS A 38 2.899 -2.477 2.272 1.00 0.00 H +ATOM 431 HB3 HIS A 38 1.444 -2.534 3.261 1.00 0.00 H +ATOM 432 HD1 HIS A 38 2.089 -4.218 5.595 1.00 0.00 H +ATOM 433 HD2 HIS A 38 4.926 -1.786 3.782 1.00 0.00 H +ATOM 434 HE1 HIS A 38 3.910 -3.845 7.308 1.00 0.00 H +ATOM 435 N LEU A 39 0.041 -4.119 1.278 1.00 0.00 N +ATOM 436 CA LEU A 39 -0.800 -4.006 0.100 1.00 0.00 C +ATOM 437 C LEU A 39 -1.339 -2.586 -0.059 1.00 0.00 C +ATOM 438 O LEU A 39 -1.638 -1.906 0.927 1.00 0.00 O +ATOM 439 CB LEU A 39 -1.953 -5.001 0.214 1.00 0.00 C +ATOM 440 CG LEU A 39 -1.541 -6.476 0.126 1.00 0.00 C +ATOM 441 CD1 LEU A 39 -2.727 -7.390 0.418 1.00 0.00 C +ATOM 442 CD2 LEU A 39 -0.950 -6.783 -1.246 1.00 0.00 C +ATOM 443 H LEU A 39 -0.376 -4.024 2.155 1.00 0.00 H +ATOM 444 HA LEU A 39 -0.205 -4.255 -0.768 1.00 0.00 H +ATOM 445 HB2 LEU A 39 -2.441 -4.840 1.164 1.00 0.00 H +ATOM 446 HB3 LEU A 39 -2.658 -4.795 -0.571 1.00 0.00 H +ATOM 447 HG LEU A 39 -0.777 -6.672 0.866 1.00 0.00 H +ATOM 448 HD11 LEU A 39 -3.106 -7.184 1.408 1.00 0.00 H +ATOM 449 HD12 LEU A 39 -2.410 -8.421 0.362 1.00 0.00 H +ATOM 450 HD13 LEU A 39 -3.509 -7.215 -0.309 1.00 0.00 H +ATOM 451 HD21 LEU A 39 -1.687 -6.584 -2.012 1.00 0.00 H +ATOM 452 HD22 LEU A 39 -0.659 -7.822 -1.290 1.00 0.00 H +ATOM 453 HD23 LEU A 39 -0.082 -6.161 -1.412 1.00 0.00 H +ATOM 454 N LEU A 40 -1.430 -2.141 -1.307 1.00 0.00 N +ATOM 455 CA LEU A 40 -2.022 -0.850 -1.652 1.00 0.00 C +ATOM 456 C LEU A 40 -2.464 -0.861 -3.114 1.00 0.00 C +ATOM 457 O LEU A 40 -1.797 -1.458 -3.959 1.00 0.00 O +ATOM 458 CB LEU A 40 -1.037 0.317 -1.392 1.00 0.00 C +ATOM 459 CG LEU A 40 0.465 -0.035 -1.359 1.00 0.00 C +ATOM 460 CD1 LEU A 40 0.933 -0.616 -2.690 1.00 0.00 C +ATOM 461 CD2 LEU A 40 1.291 1.197 -0.990 1.00 0.00 C +ATOM 462 H LEU A 40 -1.077 -2.704 -2.033 1.00 0.00 H +ATOM 463 HA LEU A 40 -2.898 -0.714 -1.026 1.00 0.00 H +ATOM 464 HB2 LEU A 40 -1.183 1.061 -2.167 1.00 0.00 H +ATOM 465 HB3 LEU A 40 -1.295 0.767 -0.442 1.00 0.00 H +ATOM 466 HG LEU A 40 0.633 -0.784 -0.598 1.00 0.00 H +ATOM 467 HD11 LEU A 40 0.389 -1.527 -2.897 1.00 0.00 H +ATOM 468 HD12 LEU A 40 1.990 -0.833 -2.639 1.00 0.00 H +ATOM 469 HD13 LEU A 40 0.751 0.098 -3.481 1.00 0.00 H +ATOM 470 HD21 LEU A 40 2.339 0.935 -0.966 1.00 0.00 H +ATOM 471 HD22 LEU A 40 0.988 1.556 -0.017 1.00 0.00 H +ATOM 472 HD23 LEU A 40 1.132 1.974 -1.725 1.00 0.00 H +ATOM 473 N HIS A 41 -3.600 -0.228 -3.407 1.00 0.00 N +ATOM 474 CA HIS A 41 -4.063 -0.100 -4.792 1.00 0.00 C +ATOM 475 C HIS A 41 -2.988 0.562 -5.661 1.00 0.00 C +ATOM 476 O HIS A 41 -2.160 1.330 -5.160 1.00 0.00 O +ATOM 477 CB HIS A 41 -5.396 0.673 -4.890 1.00 0.00 C +ATOM 478 CG HIS A 41 -5.743 1.480 -3.685 1.00 0.00 C +ATOM 479 ND1 HIS A 41 -6.535 1.029 -2.662 1.00 0.00 N +ATOM 480 CD2 HIS A 41 -5.361 2.722 -3.340 1.00 0.00 C +ATOM 481 CE1 HIS A 41 -6.600 1.993 -1.742 1.00 0.00 C +ATOM 482 NE2 HIS A 41 -5.892 3.052 -2.098 1.00 0.00 N +ATOM 483 H HIS A 41 -4.146 0.134 -2.683 1.00 0.00 H +ATOM 484 HA HIS A 41 -4.223 -1.104 -5.159 1.00 0.00 H +ATOM 485 HB2 HIS A 41 -5.338 1.359 -5.720 1.00 0.00 H +ATOM 486 HB3 HIS A 41 -6.201 -0.027 -5.066 1.00 0.00 H +ATOM 487 HD1 HIS A 41 -6.991 0.157 -2.622 1.00 0.00 H +ATOM 488 HD2 HIS A 41 -4.738 3.375 -3.932 1.00 0.00 H +ATOM 489 HE1 HIS A 41 -7.155 1.914 -0.821 1.00 0.00 H +ATOM 490 N ARG A 42 -3.040 0.272 -6.961 1.00 0.00 N +ATOM 491 CA ARG A 42 -1.985 0.641 -7.914 1.00 0.00 C +ATOM 492 C ARG A 42 -1.554 2.104 -7.775 1.00 0.00 C +ATOM 493 O ARG A 42 -0.372 2.390 -7.579 1.00 0.00 O +ATOM 494 CB ARG A 42 -2.460 0.365 -9.347 1.00 0.00 C +ATOM 495 CG ARG A 42 -2.922 -1.073 -9.571 1.00 0.00 C +ATOM 496 CD ARG A 42 -1.803 -2.078 -9.328 1.00 0.00 C +ATOM 497 NE ARG A 42 -2.272 -3.460 -9.451 1.00 0.00 N +ATOM 498 CZ ARG A 42 -1.564 -4.449 -9.997 1.00 0.00 C +ATOM 499 NH1 ARG A 42 -0.369 -4.211 -10.521 1.00 0.00 N +ATOM 500 NH2 ARG A 42 -2.054 -5.679 -10.031 1.00 0.00 N +ATOM 501 H ARG A 42 -3.828 -0.209 -7.299 1.00 0.00 H +ATOM 502 HA ARG A 42 -1.130 0.012 -7.709 1.00 0.00 H +ATOM 503 HB2 ARG A 42 -3.286 1.026 -9.575 1.00 0.00 H +ATOM 504 HB3 ARG A 42 -1.648 0.571 -10.031 1.00 0.00 H +ATOM 505 HG2 ARG A 42 -3.736 -1.289 -8.893 1.00 0.00 H +ATOM 506 HG3 ARG A 42 -3.269 -1.174 -10.591 1.00 0.00 H +ATOM 507 HD2 ARG A 42 -1.017 -1.906 -10.050 1.00 0.00 H +ATOM 508 HD3 ARG A 42 -1.411 -1.930 -8.331 1.00 0.00 H +ATOM 509 HE ARG A 42 -3.166 -3.662 -9.090 1.00 0.00 H +ATOM 510 HH11 ARG A 42 0.012 -3.284 -10.511 1.00 0.00 H +ATOM 511 HH12 ARG A 42 0.156 -4.962 -10.932 1.00 0.00 H +ATOM 512 HH21 ARG A 42 -2.960 -5.875 -9.646 1.00 0.00 H +ATOM 513 HH22 ARG A 42 -1.517 -6.423 -10.438 1.00 0.00 H +ATOM 514 N THR A 43 -2.512 3.021 -7.863 1.00 0.00 N +ATOM 515 CA THR A 43 -2.221 4.448 -7.758 1.00 0.00 C +ATOM 516 C THR A 43 -1.501 4.769 -6.446 1.00 0.00 C +ATOM 517 O THR A 43 -0.541 5.540 -6.420 1.00 0.00 O +ATOM 518 CB THR A 43 -3.518 5.281 -7.861 1.00 0.00 C +ATOM 519 OG1 THR A 43 -4.152 5.021 -9.121 1.00 0.00 O +ATOM 520 CG2 THR A 43 -3.238 6.775 -7.724 1.00 0.00 C +ATOM 521 H THR A 43 -3.439 2.733 -8.008 1.00 0.00 H +ATOM 522 HA THR A 43 -1.577 4.718 -8.586 1.00 0.00 H +ATOM 523 HB THR A 43 -4.186 4.979 -7.065 1.00 0.00 H +ATOM 524 HG1 THR A 43 -3.477 4.970 -9.811 1.00 0.00 H +ATOM 525 HG21 THR A 43 -4.163 7.325 -7.814 1.00 0.00 H +ATOM 526 HG22 THR A 43 -2.557 7.089 -8.501 1.00 0.00 H +ATOM 527 HG23 THR A 43 -2.795 6.974 -6.757 1.00 0.00 H +ATOM 528 N CYS A 44 -1.948 4.137 -5.369 1.00 0.00 N +ATOM 529 CA CYS A 44 -1.390 4.385 -4.043 1.00 0.00 C +ATOM 530 C CYS A 44 0.020 3.821 -3.931 1.00 0.00 C +ATOM 531 O CYS A 44 0.816 4.288 -3.119 1.00 0.00 O +ATOM 532 CB CYS A 44 -2.291 3.784 -2.968 1.00 0.00 C +ATOM 533 SG CYS A 44 -2.931 4.983 -1.767 1.00 0.00 S +ATOM 534 H CYS A 44 -2.668 3.482 -5.470 1.00 0.00 H +ATOM 535 HA CYS A 44 -1.345 5.456 -3.901 1.00 0.00 H +ATOM 536 HB2 CYS A 44 -3.142 3.325 -3.444 1.00 0.00 H +ATOM 537 HB3 CYS A 44 -1.755 3.028 -2.416 1.00 0.00 H +ATOM 538 N TYR A 45 0.319 2.806 -4.740 1.00 0.00 N +ATOM 539 CA TYR A 45 1.673 2.272 -4.820 1.00 0.00 C +ATOM 540 C TYR A 45 2.607 3.362 -5.325 1.00 0.00 C +ATOM 541 O TYR A 45 3.706 3.545 -4.802 1.00 0.00 O +ATOM 542 CB TYR A 45 1.719 1.042 -5.741 1.00 0.00 C +ATOM 543 CG TYR A 45 3.126 0.583 -6.097 1.00 0.00 C +ATOM 544 CD1 TYR A 45 3.973 0.049 -5.128 1.00 0.00 C +ATOM 545 CD2 TYR A 45 3.608 0.686 -7.400 1.00 0.00 C +ATOM 546 CE1 TYR A 45 5.253 -0.365 -5.448 1.00 0.00 C +ATOM 547 CE2 TYR A 45 4.886 0.271 -7.725 1.00 0.00 C +ATOM 548 CZ TYR A 45 5.704 -0.254 -6.746 1.00 0.00 C +ATOM 549 OH TYR A 45 6.976 -0.672 -7.067 1.00 0.00 O +ATOM 550 H TYR A 45 -0.386 2.414 -5.301 1.00 0.00 H +ATOM 551 HA TYR A 45 1.977 1.982 -3.823 1.00 0.00 H +ATOM 552 HB2 TYR A 45 1.219 0.218 -5.250 1.00 0.00 H +ATOM 553 HB3 TYR A 45 1.196 1.270 -6.657 1.00 0.00 H +ATOM 554 HD1 TYR A 45 3.619 -0.039 -4.111 1.00 0.00 H +ATOM 555 HD2 TYR A 45 2.966 1.099 -8.165 1.00 0.00 H +ATOM 556 HE1 TYR A 45 5.894 -0.777 -4.681 1.00 0.00 H +ATOM 557 HE2 TYR A 45 5.240 0.361 -8.741 1.00 0.00 H +ATOM 558 HH TYR A 45 7.394 -0.023 -7.644 1.00 0.00 H +ATOM 559 N GLU A 46 2.142 4.098 -6.331 1.00 0.00 N +ATOM 560 CA GLU A 46 2.890 5.227 -6.863 1.00 0.00 C +ATOM 561 C GLU A 46 2.995 6.319 -5.799 1.00 0.00 C +ATOM 562 O GLU A 46 4.083 6.809 -5.509 1.00 0.00 O +ATOM 563 CB GLU A 46 2.211 5.775 -8.130 1.00 0.00 C +ATOM 564 CG GLU A 46 1.995 4.723 -9.218 1.00 0.00 C +ATOM 565 CD GLU A 46 1.403 5.302 -10.496 1.00 0.00 C +ATOM 566 OE1 GLU A 46 0.160 5.389 -10.608 1.00 0.00 O +ATOM 567 OE2 GLU A 46 2.179 5.675 -11.402 1.00 0.00 O +ATOM 568 H GLU A 46 1.271 3.875 -6.724 1.00 0.00 H +ATOM 569 HA GLU A 46 3.885 4.883 -7.113 1.00 0.00 H +ATOM 570 HB2 GLU A 46 1.248 6.184 -7.859 1.00 0.00 H +ATOM 571 HB3 GLU A 46 2.824 6.566 -8.541 1.00 0.00 H +ATOM 572 HG2 GLU A 46 2.946 4.266 -9.453 1.00 0.00 H +ATOM 573 HG3 GLU A 46 1.322 3.966 -8.838 1.00 0.00 H +ATOM 574 N GLU A 47 1.855 6.661 -5.196 1.00 0.00 N +ATOM 575 CA GLU A 47 1.789 7.714 -4.176 1.00 0.00 C +ATOM 576 C GLU A 47 2.776 7.449 -3.038 1.00 0.00 C +ATOM 577 O GLU A 47 3.520 8.339 -2.624 1.00 0.00 O +ATOM 578 CB GLU A 47 0.373 7.812 -3.594 1.00 0.00 C +ATOM 579 CG GLU A 47 -0.705 8.169 -4.609 1.00 0.00 C +ATOM 580 CD GLU A 47 -2.073 8.322 -3.960 1.00 0.00 C +ATOM 581 OE1 GLU A 47 -2.338 9.401 -3.386 1.00 0.00 O +ATOM 582 OE2 GLU A 47 -2.877 7.363 -4.000 1.00 0.00 O +ATOM 583 H GLU A 47 1.030 6.194 -5.448 1.00 0.00 H +ATOM 584 HA GLU A 47 2.042 8.652 -4.650 1.00 0.00 H +ATOM 585 HB2 GLU A 47 0.114 6.861 -3.150 1.00 0.00 H +ATOM 586 HB3 GLU A 47 0.370 8.568 -2.820 1.00 0.00 H +ATOM 587 HG2 GLU A 47 -0.440 9.102 -5.088 1.00 0.00 H +ATOM 588 HG3 GLU A 47 -0.758 7.387 -5.353 1.00 0.00 H +ATOM 589 N MET A 48 2.762 6.220 -2.536 1.00 0.00 N +ATOM 590 CA MET A 48 3.609 5.827 -1.414 1.00 0.00 C +ATOM 591 C MET A 48 5.075 5.814 -1.831 1.00 0.00 C +ATOM 592 O MET A 48 5.924 6.439 -1.188 1.00 0.00 O +ATOM 593 CB MET A 48 3.182 4.442 -0.894 1.00 0.00 C +ATOM 594 CG MET A 48 3.959 3.957 0.328 1.00 0.00 C +ATOM 595 SD MET A 48 5.691 3.591 -0.030 1.00 0.00 S +ATOM 596 CE MET A 48 6.303 3.196 1.607 1.00 0.00 C +ATOM 597 H MET A 48 2.167 5.554 -2.935 1.00 0.00 H +ATOM 598 HA MET A 48 3.476 6.555 -0.625 1.00 0.00 H +ATOM 599 HB2 MET A 48 2.134 4.479 -0.632 1.00 0.00 H +ATOM 600 HB3 MET A 48 3.315 3.718 -1.686 1.00 0.00 H +ATOM 601 HG2 MET A 48 3.920 4.723 1.089 1.00 0.00 H +ATOM 602 HG3 MET A 48 3.487 3.060 0.703 1.00 0.00 H +ATOM 603 HE1 MET A 48 5.767 2.343 1.997 1.00 0.00 H +ATOM 604 HE2 MET A 48 6.156 4.043 2.261 1.00 0.00 H +ATOM 605 HE3 MET A 48 7.356 2.964 1.550 1.00 0.00 H +ATOM 606 N LEU A 49 5.357 5.115 -2.927 1.00 0.00 N +ATOM 607 CA LEU A 49 6.723 4.951 -3.413 1.00 0.00 C +ATOM 608 C LEU A 49 7.341 6.306 -3.777 1.00 0.00 C +ATOM 609 O LEU A 49 8.560 6.481 -3.700 1.00 0.00 O +ATOM 610 CB LEU A 49 6.744 3.987 -4.610 1.00 0.00 C +ATOM 611 CG LEU A 49 8.138 3.667 -5.179 1.00 0.00 C +ATOM 612 CD1 LEU A 49 9.017 3.010 -4.118 1.00 0.00 C +ATOM 613 CD2 LEU A 49 8.027 2.778 -6.419 1.00 0.00 C +ATOM 614 H LEU A 49 4.624 4.696 -3.424 1.00 0.00 H +ATOM 615 HA LEU A 49 7.303 4.517 -2.609 1.00 0.00 H +ATOM 616 HB2 LEU A 49 6.282 3.054 -4.296 1.00 0.00 H +ATOM 617 HB3 LEU A 49 6.145 4.416 -5.400 1.00 0.00 H +ATOM 618 HG LEU A 49 8.615 4.591 -5.475 1.00 0.00 H +ATOM 619 HD11 LEU A 49 9.123 3.677 -3.275 1.00 0.00 H +ATOM 620 HD12 LEU A 49 9.992 2.803 -4.535 1.00 0.00 H +ATOM 621 HD13 LEU A 49 8.562 2.086 -3.792 1.00 0.00 H +ATOM 622 HD21 LEU A 49 7.548 1.846 -6.156 1.00 0.00 H +ATOM 623 HD22 LEU A 49 9.014 2.577 -6.809 1.00 0.00 H +ATOM 624 HD23 LEU A 49 7.440 3.283 -7.173 1.00 0.00 H +ATOM 625 N LYS A 50 6.492 7.258 -4.172 1.00 0.00 N +ATOM 626 CA LYS A 50 6.926 8.637 -4.412 1.00 0.00 C +ATOM 627 C LYS A 50 7.656 9.185 -3.191 1.00 0.00 C +ATOM 628 O LYS A 50 8.760 9.727 -3.297 1.00 0.00 O +ATOM 629 CB LYS A 50 5.723 9.544 -4.721 1.00 0.00 C +ATOM 630 CG LYS A 50 5.210 9.464 -6.153 1.00 0.00 C +ATOM 631 CD LYS A 50 3.877 10.200 -6.333 1.00 0.00 C +ATOM 632 CE LYS A 50 3.944 11.671 -5.911 1.00 0.00 C +ATOM 633 NZ LYS A 50 3.789 11.858 -4.439 1.00 0.00 N +ATOM 634 H LYS A 50 5.548 7.026 -4.309 1.00 0.00 H +ATOM 635 HA LYS A 50 7.600 8.637 -5.257 1.00 0.00 H +ATOM 636 HB2 LYS A 50 4.911 9.276 -4.060 1.00 0.00 H +ATOM 637 HB3 LYS A 50 6.004 10.570 -4.523 1.00 0.00 H +ATOM 638 HG2 LYS A 50 5.943 9.906 -6.813 1.00 0.00 H +ATOM 639 HG3 LYS A 50 5.073 8.425 -6.416 1.00 0.00 H +ATOM 640 HD2 LYS A 50 3.596 10.154 -7.376 1.00 0.00 H +ATOM 641 HD3 LYS A 50 3.122 9.700 -5.741 1.00 0.00 H +ATOM 642 HE2 LYS A 50 4.898 12.077 -6.213 1.00 0.00 H +ATOM 643 HE3 LYS A 50 3.154 12.212 -6.415 1.00 0.00 H +ATOM 644 HZ1 LYS A 50 3.857 12.867 -4.199 1.00 0.00 H +ATOM 645 HZ2 LYS A 50 4.533 11.346 -3.923 1.00 0.00 H +ATOM 646 HZ3 LYS A 50 2.861 11.505 -4.128 1.00 0.00 H +ATOM 647 N GLU A 51 7.030 9.032 -2.033 1.00 0.00 N +ATOM 648 CA GLU A 51 7.563 9.576 -0.794 1.00 0.00 C +ATOM 649 C GLU A 51 8.723 8.712 -0.299 1.00 0.00 C +ATOM 650 O GLU A 51 9.774 9.227 0.098 1.00 0.00 O +ATOM 651 CB GLU A 51 6.462 9.643 0.275 1.00 0.00 C +ATOM 652 CG GLU A 51 5.118 10.165 -0.233 1.00 0.00 C +ATOM 653 CD GLU A 51 5.219 11.519 -0.920 1.00 0.00 C +ATOM 654 OE1 GLU A 51 5.330 12.543 -0.214 1.00 0.00 O +ATOM 655 OE2 GLU A 51 5.173 11.565 -2.169 1.00 0.00 O +ATOM 656 H GLU A 51 6.186 8.533 -2.011 1.00 0.00 H +ATOM 657 HA GLU A 51 7.926 10.575 -0.993 1.00 0.00 H +ATOM 658 HB2 GLU A 51 6.306 8.652 0.672 1.00 0.00 H +ATOM 659 HB3 GLU A 51 6.794 10.290 1.076 1.00 0.00 H +ATOM 660 HG2 GLU A 51 4.711 9.450 -0.935 1.00 0.00 H +ATOM 661 HG3 GLU A 51 4.443 10.255 0.609 1.00 0.00 H +ATOM 662 N GLY A 52 8.526 7.395 -0.348 1.00 0.00 N +ATOM 663 CA GLY A 52 9.519 6.461 0.161 1.00 0.00 C +ATOM 664 C GLY A 52 9.616 6.517 1.672 1.00 0.00 C +ATOM 665 O GLY A 52 10.634 6.138 2.257 1.00 0.00 O +ATOM 666 H GLY A 52 7.695 7.051 -0.741 1.00 0.00 H +ATOM 667 HA2 GLY A 52 9.242 5.459 -0.138 1.00 0.00 H +ATOM 668 HA3 GLY A 52 10.483 6.702 -0.264 1.00 0.00 H +ATOM 669 N TYR A 53 8.543 6.989 2.296 1.00 0.00 N +ATOM 670 CA TYR A 53 8.496 7.193 3.741 1.00 0.00 C +ATOM 671 C TYR A 53 8.340 5.865 4.482 1.00 0.00 C +ATOM 672 O TYR A 53 8.105 4.824 3.864 1.00 0.00 O +ATOM 673 CB TYR A 53 7.347 8.154 4.102 1.00 0.00 C +ATOM 674 CG TYR A 53 5.945 7.578 3.936 1.00 0.00 C +ATOM 675 CD1 TYR A 53 5.440 7.232 2.685 1.00 0.00 C +ATOM 676 CD2 TYR A 53 5.119 7.396 5.039 1.00 0.00 C +ATOM 677 CE1 TYR A 53 4.166 6.720 2.543 1.00 0.00 C +ATOM 678 CE2 TYR A 53 3.844 6.882 4.903 1.00 0.00 C +ATOM 679 CZ TYR A 53 3.373 6.547 3.654 1.00 0.00 C +ATOM 680 OH TYR A 53 2.104 6.032 3.515 1.00 0.00 O +ATOM 681 H TYR A 53 7.756 7.205 1.765 1.00 0.00 H +ATOM 682 HA TYR A 53 9.433 7.644 4.039 1.00 0.00 H +ATOM 683 HB2 TYR A 53 7.458 8.456 5.133 1.00 0.00 H +ATOM 684 HB3 TYR A 53 7.419 9.032 3.474 1.00 0.00 H +ATOM 685 HD1 TYR A 53 6.058 7.363 1.814 1.00 0.00 H +ATOM 686 HD2 TYR A 53 5.487 7.661 6.020 1.00 0.00 H +ATOM 687 HE1 TYR A 53 3.796 6.458 1.562 1.00 0.00 H +ATOM 688 HE2 TYR A 53 3.222 6.746 5.775 1.00 0.00 H +ATOM 689 HH TYR A 53 1.487 6.563 4.030 1.00 0.00 H +ATOM 690 N ARG A 54 8.476 5.912 5.807 1.00 0.00 N +ATOM 691 CA ARG A 54 8.336 4.721 6.645 1.00 0.00 C +ATOM 692 C ARG A 54 6.932 4.136 6.489 1.00 0.00 C +ATOM 693 O ARG A 54 5.940 4.836 6.689 1.00 0.00 O +ATOM 694 CB ARG A 54 8.601 5.051 8.128 1.00 0.00 C +ATOM 695 CG ARG A 54 10.074 5.257 8.499 1.00 0.00 C +ATOM 696 CD ARG A 54 10.710 6.433 7.766 1.00 0.00 C +ATOM 697 NE ARG A 54 12.017 6.783 8.329 1.00 0.00 N +ATOM 698 CZ ARG A 54 13.143 6.897 7.623 1.00 0.00 C +ATOM 699 NH1 ARG A 54 13.154 6.640 6.323 1.00 0.00 N +ATOM 700 NH2 ARG A 54 14.265 7.258 8.226 1.00 0.00 N +ATOM 701 H ARG A 54 8.658 6.775 6.234 1.00 0.00 H +ATOM 702 HA ARG A 54 9.060 3.991 6.310 1.00 0.00 H +ATOM 703 HB2 ARG A 54 8.064 5.955 8.381 1.00 0.00 H +ATOM 704 HB3 ARG A 54 8.215 4.242 8.735 1.00 0.00 H +ATOM 705 HG2 ARG A 54 10.141 5.438 9.562 1.00 0.00 H +ATOM 706 HG3 ARG A 54 10.621 4.356 8.256 1.00 0.00 H +ATOM 707 HD2 ARG A 54 10.832 6.170 6.724 1.00 0.00 H +ATOM 708 HD3 ARG A 54 10.055 7.289 7.846 1.00 0.00 H +ATOM 709 HE ARG A 54 12.050 6.964 9.295 1.00 0.00 H +ATOM 710 HH11 ARG A 54 12.313 6.356 5.854 1.00 0.00 H +ATOM 711 HH12 ARG A 54 14.006 6.734 5.799 1.00 0.00 H +ATOM 712 HH21 ARG A 54 14.269 7.452 9.212 1.00 0.00 H +ATOM 713 HH22 ARG A 54 15.117 7.339 7.699 1.00 0.00 H +ATOM 714 N CYS A 55 6.856 2.862 6.127 1.00 0.00 N +ATOM 715 CA CYS A 55 5.576 2.204 5.880 1.00 0.00 C +ATOM 716 C CYS A 55 4.727 2.103 7.153 1.00 0.00 C +ATOM 717 O CYS A 55 5.035 1.315 8.050 1.00 0.00 O +ATOM 718 CB CYS A 55 5.796 0.812 5.285 1.00 0.00 C +ATOM 719 SG CYS A 55 7.198 -0.114 5.976 1.00 0.00 S +ATOM 720 H CYS A 55 7.685 2.346 6.027 1.00 0.00 H +ATOM 721 HA CYS A 55 5.039 2.802 5.156 1.00 0.00 H +ATOM 722 HB2 CYS A 55 4.913 0.213 5.472 1.00 0.00 H +ATOM 723 HB3 CYS A 55 5.950 0.899 4.219 1.00 0.00 H +ATOM 724 N PRO A 56 3.615 2.869 7.227 1.00 0.00 N +ATOM 725 CA PRO A 56 2.758 2.908 8.419 1.00 0.00 C +ATOM 726 C PRO A 56 2.037 1.581 8.652 1.00 0.00 C +ATOM 727 O PRO A 56 1.718 1.230 9.784 1.00 0.00 O +ATOM 728 CB PRO A 56 1.753 4.030 8.106 1.00 0.00 C +ATOM 729 CG PRO A 56 1.713 4.094 6.617 1.00 0.00 C +ATOM 730 CD PRO A 56 3.106 3.753 6.156 1.00 0.00 C +ATOM 731 HA PRO A 56 3.326 3.165 9.303 1.00 0.00 H +ATOM 732 HB2 PRO A 56 0.785 3.785 8.522 1.00 0.00 H +ATOM 733 HB3 PRO A 56 2.104 4.961 8.531 1.00 0.00 H +ATOM 734 HG2 PRO A 56 1.003 3.371 6.236 1.00 0.00 H +ATOM 735 HG3 PRO A 56 1.443 5.090 6.296 1.00 0.00 H +ATOM 736 HD2 PRO A 56 3.075 3.234 5.208 1.00 0.00 H +ATOM 737 HD3 PRO A 56 3.709 4.647 6.078 1.00 0.00 H +ATOM 738 N LEU A 57 1.819 0.822 7.574 1.00 0.00 N +ATOM 739 CA LEU A 57 1.100 -0.449 7.664 1.00 0.00 C +ATOM 740 C LEU A 57 1.847 -1.431 8.571 1.00 0.00 C +ATOM 741 O LEU A 57 1.276 -2.408 9.047 1.00 0.00 O +ATOM 742 CB LEU A 57 0.886 -1.074 6.272 1.00 0.00 C +ATOM 743 CG LEU A 57 0.092 -0.217 5.260 1.00 0.00 C +ATOM 744 CD1 LEU A 57 1.013 0.722 4.474 1.00 0.00 C +ATOM 745 CD2 LEU A 57 -0.720 -1.100 4.313 1.00 0.00 C +ATOM 746 H LEU A 57 2.151 1.122 6.707 1.00 0.00 H +ATOM 747 HA LEU A 57 0.133 -0.245 8.105 1.00 0.00 H +ATOM 748 HB2 LEU A 57 1.857 -1.292 5.846 1.00 0.00 H +ATOM 749 HB3 LEU A 57 0.360 -2.010 6.405 1.00 0.00 H +ATOM 750 HG LEU A 57 -0.606 0.402 5.806 1.00 0.00 H +ATOM 751 HD11 LEU A 57 0.439 1.235 3.716 1.00 0.00 H +ATOM 752 HD12 LEU A 57 1.800 0.150 4.003 1.00 0.00 H +ATOM 753 HD13 LEU A 57 1.448 1.449 5.143 1.00 0.00 H +ATOM 754 HD21 LEU A 57 -1.284 -0.477 3.633 1.00 0.00 H +ATOM 755 HD22 LEU A 57 -1.401 -1.713 4.885 1.00 0.00 H +ATOM 756 HD23 LEU A 57 -0.055 -1.736 3.749 1.00 0.00 H +ATOM 757 N CYS A 58 3.127 -1.148 8.812 1.00 0.00 N +ATOM 758 CA CYS A 58 3.970 -1.979 9.683 1.00 0.00 C +ATOM 759 C CYS A 58 3.460 -2.004 11.134 1.00 0.00 C +ATOM 760 O CYS A 58 3.922 -2.814 11.939 1.00 0.00 O +ATOM 761 CB CYS A 58 5.429 -1.489 9.636 1.00 0.00 C +ATOM 762 SG CYS A 58 6.577 -2.639 8.817 1.00 0.00 S +ATOM 763 H CYS A 58 3.524 -0.358 8.386 1.00 0.00 H +ATOM 764 HA CYS A 58 3.936 -2.988 9.297 1.00 0.00 H +ATOM 765 HB2 CYS A 58 5.465 -0.557 9.075 1.00 0.00 H +ATOM 766 HB3 CYS A 58 5.791 -1.317 10.640 1.00 0.00 H +ATOM 767 N MET A 59 2.523 -1.111 11.473 1.00 0.00 N +ATOM 768 CA MET A 59 1.974 -1.055 12.835 1.00 0.00 C +ATOM 769 C MET A 59 0.748 -1.961 12.979 1.00 0.00 C +ATOM 770 O MET A 59 0.332 -2.283 14.096 1.00 0.00 O +ATOM 771 CB MET A 59 1.588 0.384 13.214 1.00 0.00 C +ATOM 772 CG MET A 59 0.378 0.926 12.456 1.00 0.00 C +ATOM 773 SD MET A 59 -0.134 2.556 13.028 1.00 0.00 S +ATOM 774 CE MET A 59 -0.650 2.179 14.701 1.00 0.00 C +ATOM 775 H MET A 59 2.202 -0.473 10.802 1.00 0.00 H +ATOM 776 HA MET A 59 2.739 -1.400 13.516 1.00 0.00 H +ATOM 777 HB2 MET A 59 1.366 0.418 14.271 1.00 0.00 H +ATOM 778 HB3 MET A 59 2.429 1.033 13.014 1.00 0.00 H +ATOM 779 HG2 MET A 59 0.626 0.992 11.409 1.00 0.00 H +ATOM 780 HG3 MET A 59 -0.448 0.240 12.584 1.00 0.00 H +ATOM 781 HE1 MET A 59 -1.457 1.461 14.676 1.00 0.00 H +ATOM 782 HE2 MET A 59 -0.987 3.083 15.186 1.00 0.00 H +ATOM 783 HE3 MET A 59 0.183 1.767 15.251 1.00 0.00 H +ATOM 784 N HIS A 60 0.171 -2.370 11.852 1.00 0.00 N +ATOM 785 CA HIS A 60 -1.062 -3.155 11.857 1.00 0.00 C +ATOM 786 C HIS A 60 -0.869 -4.445 11.063 1.00 0.00 C +ATOM 787 O HIS A 60 -0.435 -4.413 9.910 1.00 0.00 O +ATOM 788 CB HIS A 60 -2.218 -2.329 11.267 1.00 0.00 C +ATOM 789 CG HIS A 60 -3.561 -3.003 11.339 1.00 0.00 C +ATOM 790 ND1 HIS A 60 -4.526 -2.664 12.264 1.00 0.00 N +ATOM 791 CD2 HIS A 60 -4.103 -3.989 10.584 1.00 0.00 C +ATOM 792 CE1 HIS A 60 -5.598 -3.410 12.074 1.00 0.00 C +ATOM 793 NE2 HIS A 60 -5.368 -4.221 11.061 1.00 0.00 N +ATOM 794 H HIS A 60 0.595 -2.158 10.993 1.00 0.00 H +ATOM 795 HA HIS A 60 -1.296 -3.407 12.883 1.00 0.00 H +ATOM 796 HB2 HIS A 60 -2.292 -1.394 11.805 1.00 0.00 H +ATOM 797 HB3 HIS A 60 -2.008 -2.119 10.228 1.00 0.00 H +ATOM 798 HD1 HIS A 60 -4.438 -1.976 12.959 1.00 0.00 H +ATOM 799 HD2 HIS A 60 -3.626 -4.499 9.758 1.00 0.00 H +ATOM 800 HE1 HIS A 60 -6.510 -3.363 12.651 1.00 0.00 H +ATOM 801 HE2 HIS A 60 -5.939 -4.982 10.806 1.00 0.00 H +ATOM 802 N SER A 61 -1.198 -5.569 11.684 1.00 0.00 N +ATOM 803 CA SER A 61 -1.053 -6.875 11.056 1.00 0.00 C +ATOM 804 C SER A 61 -1.959 -7.895 11.756 1.00 0.00 C +ATOM 805 O SER A 61 -1.527 -8.497 12.763 1.00 0.00 O +ATOM 806 CB SER A 61 0.423 -7.313 11.090 1.00 0.00 C +ATOM 807 OG SER A 61 0.977 -7.161 12.390 1.00 0.00 O +ATOM 808 OXT SER A 61 -3.116 -8.065 11.317 1.00 0.00 O +ATOM 809 H SER A 61 -1.558 -5.523 12.597 1.00 0.00 H +ATOM 810 HA SER A 61 -1.368 -6.782 10.025 1.00 0.00 H +ATOM 811 HB2 SER A 61 0.497 -8.352 10.802 1.00 0.00 H +ATOM 812 HB3 SER A 61 0.992 -6.709 10.397 1.00 0.00 H +ATOM 813 HG SER A 61 0.365 -7.527 13.040 1.00 0.00 H Added: SwiftApps/modFTdock/input/2jy5-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2jy5-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2jy5-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,784 @@ +ATOM 1 N GLY A 536 -19.286 18.366 2.103 1.00 0.00 N +ATOM 2 CA GLY A 536 -20.653 18.510 2.674 1.00 0.00 C +ATOM 3 C GLY A 536 -21.435 17.211 2.641 1.00 0.00 C +ATOM 4 O GLY A 536 -21.598 16.552 3.668 1.00 0.00 O +ATOM 5 H1 GLY A 536 -18.747 17.656 2.642 1.00 0.00 H +ATOM 6 H2 GLY A 536 -18.783 19.275 2.149 1.00 0.00 H +ATOM 7 H3 GLY A 536 -19.342 18.062 1.110 1.00 0.00 H +ATOM 8 HA2 GLY A 536 -20.573 18.844 3.698 1.00 0.00 H +ATOM 9 HA3 GLY A 536 -21.192 19.255 2.106 1.00 0.00 H +ATOM 10 N SER A 537 -21.919 16.842 1.459 1.00 0.00 N +ATOM 11 CA SER A 537 -22.687 15.614 1.297 1.00 0.00 C +ATOM 12 C SER A 537 -22.666 15.142 -0.157 1.00 0.00 C +ATOM 13 O SER A 537 -23.669 15.241 -0.864 1.00 0.00 O +ATOM 14 CB SER A 537 -24.130 15.827 1.757 1.00 0.00 C +ATOM 15 OG SER A 537 -24.749 16.873 1.028 1.00 0.00 O +ATOM 16 H SER A 537 -21.755 17.411 0.677 1.00 0.00 H +ATOM 17 HA SER A 537 -22.231 14.856 1.916 1.00 0.00 H +ATOM 18 HB2 SER A 537 -24.693 14.917 1.604 1.00 0.00 H +ATOM 19 HB3 SER A 537 -24.138 16.083 2.807 1.00 0.00 H +ATOM 20 HG SER A 537 -25.189 17.471 1.637 1.00 0.00 H +ATOM 21 N PRO A 538 -21.515 14.622 -0.622 1.00 0.00 N +ATOM 22 CA PRO A 538 -21.370 14.130 -1.994 1.00 0.00 C +ATOM 23 C PRO A 538 -21.954 12.732 -2.163 1.00 0.00 C +ATOM 24 O PRO A 538 -22.501 12.161 -1.220 1.00 0.00 O +ATOM 25 CB PRO A 538 -19.856 14.100 -2.186 1.00 0.00 C +ATOM 26 CG PRO A 538 -19.316 13.822 -0.825 1.00 0.00 C +ATOM 27 CD PRO A 538 -20.263 14.478 0.148 1.00 0.00 C +ATOM 28 HA PRO A 538 -21.818 14.802 -2.711 1.00 0.00 H +ATOM 29 HB2 PRO A 538 -19.593 13.320 -2.886 1.00 0.00 H +ATOM 30 HB3 PRO A 538 -19.519 15.057 -2.556 1.00 0.00 H +ATOM 31 HG2 PRO A 538 -19.283 12.756 -0.655 1.00 0.00 H +ATOM 32 HG3 PRO A 538 -18.328 14.247 -0.729 1.00 0.00 H +ATOM 33 HD2 PRO A 538 -20.413 13.844 1.009 1.00 0.00 H +ATOM 34 HD3 PRO A 538 -19.883 15.442 0.449 1.00 0.00 H +ATOM 35 N GLU A 539 -21.838 12.185 -3.369 1.00 0.00 N +ATOM 36 CA GLU A 539 -22.352 10.851 -3.654 1.00 0.00 C +ATOM 37 C GLU A 539 -21.212 9.840 -3.715 1.00 0.00 C +ATOM 38 O GLU A 539 -20.321 9.939 -4.559 1.00 0.00 O +ATOM 39 CB GLU A 539 -23.132 10.851 -4.972 1.00 0.00 C +ATOM 40 CG GLU A 539 -22.366 11.457 -6.135 1.00 0.00 C +ATOM 41 CD GLU A 539 -23.174 11.478 -7.418 1.00 0.00 C +ATOM 42 OE1 GLU A 539 -23.944 12.442 -7.619 1.00 0.00 O +ATOM 43 OE2 GLU A 539 -23.038 10.532 -8.221 1.00 0.00 O +ATOM 44 H GLU A 539 -21.391 12.682 -4.086 1.00 0.00 H +ATOM 45 HA GLU A 539 -23.018 10.574 -2.850 1.00 0.00 H +ATOM 46 HB2 GLU A 539 -23.385 9.833 -5.227 1.00 0.00 H +ATOM 47 HB3 GLU A 539 -24.042 11.415 -4.835 1.00 0.00 H +ATOM 48 HG2 GLU A 539 -22.096 12.472 -5.882 1.00 0.00 H +ATOM 49 HG3 GLU A 539 -21.470 10.878 -6.301 1.00 0.00 H +ATOM 50 N PHE A 540 -21.245 8.867 -2.810 1.00 0.00 N +ATOM 51 CA PHE A 540 -20.213 7.837 -2.748 1.00 0.00 C +ATOM 52 C PHE A 540 -20.107 7.068 -4.064 1.00 0.00 C +ATOM 53 O PHE A 540 -19.155 6.320 -4.276 1.00 0.00 O +ATOM 54 CB PHE A 540 -20.497 6.866 -1.600 1.00 0.00 C +ATOM 55 CG PHE A 540 -20.466 7.512 -0.244 1.00 0.00 C +ATOM 56 CD1 PHE A 540 -19.262 7.866 0.342 1.00 0.00 C +ATOM 57 CD2 PHE A 540 -21.642 7.763 0.446 1.00 0.00 C +ATOM 58 CE1 PHE A 540 -19.229 8.459 1.589 1.00 0.00 C +ATOM 59 CE2 PHE A 540 -21.616 8.357 1.694 1.00 0.00 C +ATOM 60 CZ PHE A 540 -20.408 8.704 2.266 1.00 0.00 C +ATOM 61 H PHE A 540 -21.980 8.845 -2.161 1.00 0.00 H +ATOM 62 HA PHE A 540 -19.270 8.329 -2.560 1.00 0.00 H +ATOM 63 HB2 PHE A 540 -21.477 6.434 -1.740 1.00 0.00 H +ATOM 64 HB3 PHE A 540 -19.757 6.080 -1.612 1.00 0.00 H +ATOM 65 HD1 PHE A 540 -18.340 7.676 -0.186 1.00 0.00 H +ATOM 66 HD2 PHE A 540 -22.588 7.492 0.000 1.00 0.00 H +ATOM 67 HE1 PHE A 540 -18.284 8.731 2.034 1.00 0.00 H +ATOM 68 HE2 PHE A 540 -22.539 8.547 2.222 1.00 0.00 H +ATOM 69 HZ PHE A 540 -20.385 9.168 3.241 1.00 0.00 H +ATOM 70 N GLN A 541 -21.087 7.251 -4.941 1.00 0.00 N +ATOM 71 CA GLN A 541 -21.092 6.571 -6.234 1.00 0.00 C +ATOM 72 C GLN A 541 -19.881 6.959 -7.079 1.00 0.00 C +ATOM 73 O GLN A 541 -19.147 6.095 -7.559 1.00 0.00 O +ATOM 74 CB GLN A 541 -22.379 6.897 -6.998 1.00 0.00 C +ATOM 75 CG GLN A 541 -22.280 6.626 -8.491 1.00 0.00 C +ATOM 76 CD GLN A 541 -23.597 6.835 -9.213 1.00 0.00 C +ATOM 77 OE1 GLN A 541 -23.900 7.937 -9.668 1.00 0.00 O +ATOM 78 NE2 GLN A 541 -24.386 5.772 -9.323 1.00 0.00 N +ATOM 79 H GLN A 541 -21.833 7.844 -4.716 1.00 0.00 H +ATOM 80 HA GLN A 541 -21.058 5.509 -6.047 1.00 0.00 H +ATOM 81 HB2 GLN A 541 -23.183 6.298 -6.596 1.00 0.00 H +ATOM 82 HB3 GLN A 541 -22.612 7.942 -6.857 1.00 0.00 H +ATOM 83 HG2 GLN A 541 -21.545 7.294 -8.914 1.00 0.00 H +ATOM 84 HG3 GLN A 541 -21.962 5.605 -8.637 1.00 0.00 H +ATOM 85 HE21 GLN A 541 -24.079 4.926 -8.936 1.00 0.00 H +ATOM 86 HE22 GLN A 541 -25.242 5.878 -9.786 1.00 0.00 H +ATOM 87 N ASN A 542 -19.681 8.262 -7.259 1.00 0.00 N +ATOM 88 CA ASN A 542 -18.570 8.763 -8.061 1.00 0.00 C +ATOM 89 C ASN A 542 -17.239 8.174 -7.592 1.00 0.00 C +ATOM 90 O ASN A 542 -16.984 8.083 -6.391 1.00 0.00 O +ATOM 91 CB ASN A 542 -18.517 10.290 -7.997 1.00 0.00 C +ATOM 92 CG ASN A 542 -19.729 10.939 -8.638 1.00 0.00 C +ATOM 93 OD1 ASN A 542 -20.332 10.384 -9.556 1.00 0.00 O +ATOM 94 ND2 ASN A 542 -20.088 12.124 -8.157 1.00 0.00 N +ATOM 95 H ASN A 542 -20.290 8.903 -6.836 1.00 0.00 H +ATOM 96 HA ASN A 542 -18.745 8.463 -9.082 1.00 0.00 H +ATOM 97 HB2 ASN A 542 -18.472 10.600 -6.963 1.00 0.00 H +ATOM 98 HB3 ASN A 542 -17.632 10.636 -8.511 1.00 0.00 H +ATOM 99 HD21 ASN A 542 -19.560 12.506 -7.426 1.00 0.00 H +ATOM 100 HD22 ASN A 542 -20.868 12.565 -8.554 1.00 0.00 H +ATOM 101 N PRO A 543 -16.368 7.765 -8.538 1.00 0.00 N +ATOM 102 CA PRO A 543 -15.067 7.182 -8.210 1.00 0.00 C +ATOM 103 C PRO A 543 -14.037 8.239 -7.832 1.00 0.00 C +ATOM 104 O PRO A 543 -12.862 7.932 -7.628 1.00 0.00 O +ATOM 105 CB PRO A 543 -14.669 6.480 -9.506 1.00 0.00 C +ATOM 106 CG PRO A 543 -15.304 7.292 -10.582 1.00 0.00 C +ATOM 107 CD PRO A 543 -16.581 7.844 -9.999 1.00 0.00 C +ATOM 108 HA PRO A 543 -15.147 6.456 -7.413 1.00 0.00 H +ATOM 109 HB2 PRO A 543 -13.592 6.472 -9.599 1.00 0.00 H +ATOM 110 HB3 PRO A 543 -15.043 5.468 -9.502 1.00 0.00 H +ATOM 111 HG2 PRO A 543 -14.646 8.097 -10.869 1.00 0.00 H +ATOM 112 HG3 PRO A 543 -15.524 6.664 -11.433 1.00 0.00 H +ATOM 113 HD2 PRO A 543 -16.723 8.867 -10.312 1.00 0.00 H +ATOM 114 HD3 PRO A 543 -17.423 7.237 -10.298 1.00 0.00 H +ATOM 115 N GLU A 544 -14.484 9.486 -7.750 1.00 0.00 N +ATOM 116 CA GLU A 544 -13.603 10.593 -7.393 1.00 0.00 C +ATOM 117 C GLU A 544 -13.284 10.520 -5.913 1.00 0.00 C +ATOM 118 O GLU A 544 -12.122 10.517 -5.509 1.00 0.00 O +ATOM 119 CB GLU A 544 -14.240 11.941 -7.751 1.00 0.00 C +ATOM 120 CG GLU A 544 -15.626 12.151 -7.161 1.00 0.00 C +ATOM 121 CD GLU A 544 -16.254 13.459 -7.602 1.00 0.00 C +ATOM 122 OE1 GLU A 544 -16.015 14.487 -6.934 1.00 0.00 O +ATOM 123 OE2 GLU A 544 -16.985 13.455 -8.614 1.00 0.00 O +ATOM 124 H GLU A 544 -15.432 9.656 -7.906 1.00 0.00 H +ATOM 125 HA GLU A 544 -12.686 10.476 -7.952 1.00 0.00 H +ATOM 126 HB2 GLU A 544 -13.601 12.731 -7.393 1.00 0.00 H +ATOM 127 HB3 GLU A 544 -14.316 12.016 -8.823 1.00 0.00 H +ATOM 128 HG2 GLU A 544 -16.263 11.339 -7.473 1.00 0.00 H +ATOM 129 HG3 GLU A 544 -15.548 12.153 -6.083 1.00 0.00 H +ATOM 130 N VAL A 545 -14.331 10.472 -5.107 1.00 0.00 N +ATOM 131 CA VAL A 545 -14.167 10.365 -3.675 1.00 0.00 C +ATOM 132 C VAL A 545 -13.443 9.065 -3.368 1.00 0.00 C +ATOM 133 O VAL A 545 -12.573 9.007 -2.500 1.00 0.00 O +ATOM 134 CB VAL A 545 -15.525 10.389 -2.944 1.00 0.00 C +ATOM 135 CG1 VAL A 545 -15.335 10.234 -1.443 1.00 0.00 C +ATOM 136 CG2 VAL A 545 -16.276 11.675 -3.257 1.00 0.00 C +ATOM 137 H VAL A 545 -15.229 10.539 -5.495 1.00 0.00 H +ATOM 138 HA VAL A 545 -13.568 11.197 -3.334 1.00 0.00 H +ATOM 139 HB VAL A 545 -16.118 9.559 -3.296 1.00 0.00 H +ATOM 140 HG11 VAL A 545 -14.822 9.306 -1.240 1.00 0.00 H +ATOM 141 HG12 VAL A 545 -16.300 10.228 -0.958 1.00 0.00 H +ATOM 142 HG13 VAL A 545 -14.749 11.060 -1.067 1.00 0.00 H +ATOM 143 HG21 VAL A 545 -17.217 11.683 -2.726 1.00 0.00 H +ATOM 144 HG22 VAL A 545 -16.462 11.735 -4.320 1.00 0.00 H +ATOM 145 HG23 VAL A 545 -15.682 12.524 -2.948 1.00 0.00 H +ATOM 146 N ARG A 546 -13.830 8.023 -4.108 1.00 0.00 N +ATOM 147 CA ARG A 546 -13.251 6.718 -3.957 1.00 0.00 C +ATOM 148 C ARG A 546 -13.588 6.179 -2.583 1.00 0.00 C +ATOM 149 O ARG A 546 -12.862 5.375 -2.018 1.00 0.00 O +ATOM 150 CB ARG A 546 -11.763 6.828 -4.170 1.00 0.00 C +ATOM 151 CG ARG A 546 -11.331 6.290 -5.504 1.00 0.00 C +ATOM 152 CD ARG A 546 -10.178 7.093 -6.088 1.00 0.00 C +ATOM 153 NE ARG A 546 -10.536 8.474 -6.396 1.00 0.00 N +ATOM 154 CZ ARG A 546 -9.661 9.371 -6.847 1.00 0.00 C +ATOM 155 NH1 ARG A 546 -8.388 9.031 -7.014 1.00 0.00 N +ATOM 156 NH2 ARG A 546 -10.052 10.605 -7.133 1.00 0.00 N +ATOM 157 H ARG A 546 -14.573 8.142 -4.698 1.00 0.00 H +ATOM 158 HA ARG A 546 -13.676 6.072 -4.709 1.00 0.00 H +ATOM 159 HB2 ARG A 546 -11.515 7.872 -4.138 1.00 0.00 H +ATOM 160 HB3 ARG A 546 -11.238 6.298 -3.388 1.00 0.00 H +ATOM 161 HG2 ARG A 546 -11.015 5.252 -5.385 1.00 0.00 H +ATOM 162 HG3 ARG A 546 -12.184 6.357 -6.167 1.00 0.00 H +ATOM 163 HD2 ARG A 546 -9.366 7.097 -5.374 1.00 0.00 H +ATOM 164 HD3 ARG A 546 -9.850 6.608 -6.996 1.00 0.00 H +ATOM 165 HE ARG A 546 -11.470 8.742 -6.270 1.00 0.00 H +ATOM 166 HH11 ARG A 546 -8.086 8.103 -6.800 1.00 0.00 H +ATOM 167 HH12 ARG A 546 -7.731 9.706 -7.352 1.00 0.00 H +ATOM 168 HH21 ARG A 546 -11.007 10.869 -7.014 1.00 0.00 H +ATOM 169 HH22 ARG A 546 -9.387 11.274 -7.470 1.00 0.00 H +ATOM 170 N PHE A 547 -14.739 6.593 -2.074 1.00 0.00 N +ATOM 171 CA PHE A 547 -15.158 6.189 -0.750 1.00 0.00 C +ATOM 172 C PHE A 547 -14.162 6.758 0.266 1.00 0.00 C +ATOM 173 O PHE A 547 -14.032 6.265 1.382 1.00 0.00 O +ATOM 174 CB PHE A 547 -15.251 4.659 -0.673 1.00 0.00 C +ATOM 175 CG PHE A 547 -16.538 4.140 -0.079 1.00 0.00 C +ATOM 176 CD1 PHE A 547 -17.095 4.718 1.054 1.00 0.00 C +ATOM 177 CD2 PHE A 547 -17.182 3.056 -0.651 1.00 0.00 C +ATOM 178 CE1 PHE A 547 -18.270 4.224 1.598 1.00 0.00 C +ATOM 179 CE2 PHE A 547 -18.353 2.555 -0.109 1.00 0.00 C +ATOM 180 CZ PHE A 547 -18.897 3.139 1.016 1.00 0.00 C +ATOM 181 H PHE A 547 -15.341 7.136 -2.623 1.00 0.00 H +ATOM 182 HA PHE A 547 -16.133 6.617 -0.563 1.00 0.00 H +ATOM 183 HB2 PHE A 547 -15.164 4.248 -1.668 1.00 0.00 H +ATOM 184 HB3 PHE A 547 -14.433 4.290 -0.085 1.00 0.00 H +ATOM 185 HD1 PHE A 547 -16.605 5.561 1.511 1.00 0.00 H +ATOM 186 HD2 PHE A 547 -16.760 2.594 -1.533 1.00 0.00 H +ATOM 187 HE1 PHE A 547 -18.691 4.684 2.479 1.00 0.00 H +ATOM 188 HE2 PHE A 547 -18.843 1.704 -0.565 1.00 0.00 H +ATOM 189 HZ PHE A 547 -19.811 2.745 1.442 1.00 0.00 H +ATOM 190 N GLN A 548 -13.415 7.765 -0.214 1.00 0.00 N +ATOM 191 CA GLN A 548 -12.416 8.521 0.547 1.00 0.00 C +ATOM 192 C GLN A 548 -11.743 7.724 1.652 1.00 0.00 C +ATOM 193 O GLN A 548 -10.613 7.257 1.506 1.00 0.00 O +ATOM 194 CB GLN A 548 -13.054 9.778 1.141 1.00 0.00 C +ATOM 195 CG GLN A 548 -12.613 11.064 0.460 1.00 0.00 C +ATOM 196 CD GLN A 548 -13.262 12.299 1.057 1.00 0.00 C +ATOM 197 OE1 GLN A 548 -13.495 13.289 0.362 1.00 0.00 O +ATOM 198 NE2 GLN A 548 -13.551 12.252 2.353 1.00 0.00 N +ATOM 199 H GLN A 548 -13.498 7.969 -1.158 1.00 0.00 H +ATOM 200 HA GLN A 548 -11.654 8.832 -0.150 1.00 0.00 H +ATOM 201 HB2 GLN A 548 -14.127 9.698 1.052 1.00 0.00 H +ATOM 202 HB3 GLN A 548 -12.791 9.841 2.187 1.00 0.00 H +ATOM 203 HG2 GLN A 548 -11.542 11.158 0.555 1.00 0.00 H +ATOM 204 HG3 GLN A 548 -12.876 11.008 -0.586 1.00 0.00 H +ATOM 205 HE21 GLN A 548 -13.335 11.433 2.847 1.00 0.00 H +ATOM 206 HE22 GLN A 548 -13.970 13.037 2.762 1.00 0.00 H +ATOM 207 N GLN A 549 -12.450 7.583 2.752 1.00 0.00 N +ATOM 208 CA GLN A 549 -11.918 6.880 3.921 1.00 0.00 C +ATOM 209 C GLN A 549 -11.838 5.388 3.651 1.00 0.00 C +ATOM 210 O GLN A 549 -10.808 4.750 3.865 1.00 0.00 O +ATOM 211 CB GLN A 549 -12.793 7.146 5.147 1.00 0.00 C +ATOM 212 CG GLN A 549 -12.942 8.621 5.481 1.00 0.00 C +ATOM 213 CD GLN A 549 -11.611 9.299 5.758 1.00 0.00 C +ATOM 214 OE1 GLN A 549 -11.442 10.489 5.490 1.00 0.00 O +ATOM 215 NE2 GLN A 549 -10.659 8.545 6.298 1.00 0.00 N +ATOM 216 H GLN A 549 -13.374 7.911 2.751 1.00 0.00 H +ATOM 217 HA GLN A 549 -10.923 7.254 4.110 1.00 0.00 H +ATOM 218 HB2 GLN A 549 -13.773 6.738 4.971 1.00 0.00 H +ATOM 219 HB3 GLN A 549 -12.361 6.647 5.997 1.00 0.00 H +ATOM 220 HG2 GLN A 549 -13.413 9.118 4.647 1.00 0.00 H +ATOM 221 HG3 GLN A 549 -13.568 8.718 6.357 1.00 0.00 H +ATOM 222 HE21 GLN A 549 -10.861 7.606 6.487 1.00 0.00 H +ATOM 223 HE22 GLN A 549 -9.791 8.962 6.485 1.00 0.00 H +ATOM 224 N GLN A 550 -12.947 4.843 3.186 1.00 0.00 N +ATOM 225 CA GLN A 550 -13.011 3.450 2.850 1.00 0.00 C +ATOM 226 C GLN A 550 -11.855 3.115 1.908 1.00 0.00 C +ATOM 227 O GLN A 550 -11.204 2.066 2.021 1.00 0.00 O +ATOM 228 CB GLN A 550 -14.337 3.171 2.207 1.00 0.00 C +ATOM 229 CG GLN A 550 -15.472 2.971 3.182 1.00 0.00 C +ATOM 230 CD GLN A 550 -15.141 2.095 4.371 1.00 0.00 C +ATOM 231 OE1 GLN A 550 -14.474 2.526 5.311 1.00 0.00 O +ATOM 232 NE2 GLN A 550 -15.657 0.876 4.355 1.00 0.00 N +ATOM 233 H GLN A 550 -13.745 5.398 3.138 1.00 0.00 H +ATOM 234 HA GLN A 550 -12.933 2.880 3.758 1.00 0.00 H +ATOM 235 HB2 GLN A 550 -14.589 4.016 1.600 1.00 0.00 H +ATOM 236 HB3 GLN A 550 -14.249 2.318 1.593 1.00 0.00 H +ATOM 237 HG2 GLN A 550 -15.747 3.927 3.543 1.00 0.00 H +ATOM 238 HG3 GLN A 550 -16.309 2.535 2.655 1.00 0.00 H +ATOM 239 HE21 GLN A 550 -16.213 0.624 3.587 1.00 0.00 H +ATOM 240 HE22 GLN A 550 -15.462 0.279 5.107 1.00 0.00 H +ATOM 241 N LEU A 551 -11.607 4.038 0.975 1.00 0.00 N +ATOM 242 CA LEU A 551 -10.506 3.901 0.024 1.00 0.00 C +ATOM 243 C LEU A 551 -9.185 3.886 0.769 1.00 0.00 C +ATOM 244 O LEU A 551 -8.283 3.125 0.437 1.00 0.00 O +ATOM 245 CB LEU A 551 -10.513 5.066 -0.973 1.00 0.00 C +ATOM 246 CG LEU A 551 -9.235 5.903 -1.026 1.00 0.00 C +ATOM 247 CD1 LEU A 551 -8.184 5.232 -1.900 1.00 0.00 C +ATOM 248 CD2 LEU A 551 -9.530 7.309 -1.528 1.00 0.00 C +ATOM 249 H LEU A 551 -12.192 4.824 0.917 1.00 0.00 H +ATOM 250 HA LEU A 551 -10.625 2.974 -0.508 1.00 0.00 H +ATOM 251 HB2 LEU A 551 -10.696 4.665 -1.959 1.00 0.00 H +ATOM 252 HB3 LEU A 551 -11.329 5.723 -0.714 1.00 0.00 H +ATOM 253 HG LEU A 551 -8.839 5.982 -0.029 1.00 0.00 H +ATOM 254 HD11 LEU A 551 -8.568 5.122 -2.904 1.00 0.00 H +ATOM 255 HD12 LEU A 551 -7.949 4.260 -1.496 1.00 0.00 H +ATOM 256 HD13 LEU A 551 -7.291 5.840 -1.920 1.00 0.00 H +ATOM 257 HD21 LEU A 551 -9.838 7.265 -2.562 1.00 0.00 H +ATOM 258 HD22 LEU A 551 -8.639 7.915 -1.445 1.00 0.00 H +ATOM 259 HD23 LEU A 551 -10.319 7.745 -0.935 1.00 0.00 H +ATOM 260 N GLU A 552 -9.086 4.745 1.775 1.00 0.00 N +ATOM 261 CA GLU A 552 -7.882 4.849 2.566 1.00 0.00 C +ATOM 262 C GLU A 552 -7.502 3.475 3.098 1.00 0.00 C +ATOM 263 O GLU A 552 -6.323 3.172 3.259 1.00 0.00 O +ATOM 264 CB GLU A 552 -8.076 5.857 3.705 1.00 0.00 C +ATOM 265 CG GLU A 552 -7.167 5.627 4.896 1.00 0.00 C +ATOM 266 CD GLU A 552 -5.702 5.850 4.570 1.00 0.00 C +ATOM 267 OE1 GLU A 552 -5.336 6.997 4.240 1.00 0.00 O +ATOM 268 OE2 GLU A 552 -4.922 4.879 4.650 1.00 0.00 O +ATOM 269 H GLU A 552 -9.856 5.305 1.993 1.00 0.00 H +ATOM 270 HA GLU A 552 -7.092 5.197 1.918 1.00 0.00 H +ATOM 271 HB2 GLU A 552 -7.884 6.849 3.324 1.00 0.00 H +ATOM 272 HB3 GLU A 552 -9.097 5.809 4.045 1.00 0.00 H +ATOM 273 HG2 GLU A 552 -7.451 6.304 5.688 1.00 0.00 H +ATOM 274 HG3 GLU A 552 -7.299 4.611 5.228 1.00 0.00 H +ATOM 275 N GLN A 553 -8.508 2.641 3.363 1.00 0.00 N +ATOM 276 CA GLN A 553 -8.258 1.315 3.862 1.00 0.00 C +ATOM 277 C GLN A 553 -7.797 0.349 2.764 1.00 0.00 C +ATOM 278 O GLN A 553 -6.695 -0.207 2.881 1.00 0.00 O +ATOM 279 CB GLN A 553 -9.509 0.807 4.544 1.00 0.00 C +ATOM 280 CG GLN A 553 -9.597 1.222 6.001 1.00 0.00 C +ATOM 281 CD GLN A 553 -10.399 2.493 6.216 1.00 0.00 C +ATOM 282 OE1 GLN A 553 -10.127 3.260 7.141 1.00 0.00 O +ATOM 283 NE2 GLN A 553 -11.390 2.723 5.368 1.00 0.00 N +ATOM 284 H GLN A 553 -9.431 2.934 3.254 1.00 0.00 H +ATOM 285 HA GLN A 553 -7.475 1.389 4.599 1.00 0.00 H +ATOM 286 HB2 GLN A 553 -10.366 1.202 4.024 1.00 0.00 H +ATOM 287 HB3 GLN A 553 -9.527 -0.260 4.488 1.00 0.00 H +ATOM 288 HG2 GLN A 553 -10.056 0.425 6.566 1.00 0.00 H +ATOM 289 HG3 GLN A 553 -8.594 1.388 6.361 1.00 0.00 H +ATOM 290 HE21 GLN A 553 -11.553 2.071 4.656 1.00 0.00 H +ATOM 291 HE22 GLN A 553 -11.922 3.538 5.489 1.00 0.00 H +ATOM 292 N LEU A 554 -8.576 0.120 1.681 1.00 0.00 N +ATOM 293 CA LEU A 554 -8.081 -0.781 0.642 1.00 0.00 C +ATOM 294 C LEU A 554 -6.757 -0.283 0.099 1.00 0.00 C +ATOM 295 O LEU A 554 -5.892 -1.074 -0.272 1.00 0.00 O +ATOM 296 CB LEU A 554 -9.097 -0.984 -0.507 1.00 0.00 C +ATOM 297 CG LEU A 554 -10.023 -2.179 -0.325 1.00 0.00 C +ATOM 298 CD1 LEU A 554 -10.962 -2.301 -1.506 1.00 0.00 C +ATOM 299 CD2 LEU A 554 -9.220 -3.462 -0.156 1.00 0.00 C +ATOM 300 H LEU A 554 -9.502 0.436 1.582 1.00 0.00 H +ATOM 301 HA LEU A 554 -7.906 -1.737 1.114 1.00 0.00 H +ATOM 302 HB2 LEU A 554 -9.719 -0.097 -0.619 1.00 0.00 H +ATOM 303 HB3 LEU A 554 -8.543 -1.128 -1.423 1.00 0.00 H +ATOM 304 HG LEU A 554 -10.615 -2.030 0.565 1.00 0.00 H +ATOM 305 HD11 LEU A 554 -10.391 -2.474 -2.403 1.00 0.00 H +ATOM 306 HD12 LEU A 554 -11.524 -1.387 -1.614 1.00 0.00 H +ATOM 307 HD13 LEU A 554 -11.642 -3.125 -1.346 1.00 0.00 H +ATOM 308 HD21 LEU A 554 -8.616 -3.394 0.735 1.00 0.00 H +ATOM 309 HD22 LEU A 554 -8.581 -3.601 -1.015 1.00 0.00 H +ATOM 310 HD23 LEU A 554 -9.896 -4.300 -0.070 1.00 0.00 H +ATOM 311 N SER A 555 -6.595 1.030 0.076 1.00 0.00 N +ATOM 312 CA SER A 555 -5.358 1.623 -0.389 1.00 0.00 C +ATOM 313 C SER A 555 -4.262 1.312 0.614 1.00 0.00 C +ATOM 314 O SER A 555 -3.127 1.019 0.241 1.00 0.00 O +ATOM 315 CB SER A 555 -5.509 3.135 -0.561 1.00 0.00 C +ATOM 316 OG SER A 555 -4.294 3.725 -0.985 1.00 0.00 O +ATOM 317 H SER A 555 -7.315 1.609 0.394 1.00 0.00 H +ATOM 318 HA SER A 555 -5.106 1.177 -1.340 1.00 0.00 H +ATOM 319 HB2 SER A 555 -6.270 3.339 -1.300 1.00 0.00 H +ATOM 320 HB3 SER A 555 -5.799 3.576 0.383 1.00 0.00 H +ATOM 321 HG SER A 555 -3.984 3.286 -1.779 1.00 0.00 H +ATOM 322 N ALA A 556 -4.615 1.384 1.899 1.00 0.00 N +ATOM 323 CA ALA A 556 -3.676 1.095 2.970 1.00 0.00 C +ATOM 324 C ALA A 556 -3.045 -0.282 2.835 1.00 0.00 C +ATOM 325 O ALA A 556 -1.929 -0.493 3.313 1.00 0.00 O +ATOM 326 CB ALA A 556 -4.361 1.220 4.323 1.00 0.00 C +ATOM 327 H ALA A 556 -5.491 1.739 2.152 1.00 0.00 H +ATOM 328 HA ALA A 556 -2.899 1.839 2.928 1.00 0.00 H +ATOM 329 HB1 ALA A 556 -3.648 1.014 5.108 1.00 0.00 H +ATOM 330 HB2 ALA A 556 -5.175 0.515 4.381 1.00 0.00 H +ATOM 331 HB3 ALA A 556 -4.743 2.223 4.441 1.00 0.00 H +ATOM 332 N MET A 557 -3.732 -1.234 2.198 1.00 0.00 N +ATOM 333 CA MET A 557 -3.162 -2.570 2.035 1.00 0.00 C +ATOM 334 C MET A 557 -2.346 -2.661 0.746 1.00 0.00 C +ATOM 335 O MET A 557 -2.163 -3.741 0.183 1.00 0.00 O +ATOM 336 CB MET A 557 -4.259 -3.634 2.046 1.00 0.00 C +ATOM 337 CG MET A 557 -4.482 -4.254 3.415 1.00 0.00 C +ATOM 338 SD MET A 557 -2.976 -4.956 4.117 1.00 0.00 S +ATOM 339 CE MET A 557 -2.551 -6.168 2.868 1.00 0.00 C +ATOM 340 H MET A 557 -4.618 -1.060 1.801 1.00 0.00 H +ATOM 341 HA MET A 557 -2.501 -2.744 2.871 1.00 0.00 H +ATOM 342 HB2 MET A 557 -5.186 -3.183 1.723 1.00 0.00 H +ATOM 343 HB3 MET A 557 -3.991 -4.421 1.357 1.00 0.00 H +ATOM 344 HG2 MET A 557 -4.853 -3.491 4.083 1.00 0.00 H +ATOM 345 HG3 MET A 557 -5.218 -5.038 3.323 1.00 0.00 H +ATOM 346 HE1 MET A 557 -3.381 -6.843 2.725 1.00 0.00 H +ATOM 347 HE2 MET A 557 -1.683 -6.725 3.188 1.00 0.00 H +ATOM 348 HE3 MET A 557 -2.332 -5.664 1.938 1.00 0.00 H +ATOM 349 N GLY A 558 -1.860 -1.512 0.297 1.00 0.00 N +ATOM 350 CA GLY A 558 -1.038 -1.453 -0.900 1.00 0.00 C +ATOM 351 C GLY A 558 -1.790 -1.594 -2.217 1.00 0.00 C +ATOM 352 O GLY A 558 -1.300 -2.259 -3.130 1.00 0.00 O +ATOM 353 H GLY A 558 -2.038 -0.699 0.815 1.00 0.00 H +ATOM 354 HA2 GLY A 558 -0.520 -0.507 -0.909 1.00 0.00 H +ATOM 355 HA3 GLY A 558 -0.300 -2.242 -0.842 1.00 0.00 H +ATOM 356 N PHE A 559 -2.968 -0.985 -2.337 1.00 0.00 N +ATOM 357 CA PHE A 559 -3.712 -1.027 -3.570 1.00 0.00 C +ATOM 358 C PHE A 559 -3.609 0.302 -4.305 1.00 0.00 C +ATOM 359 O PHE A 559 -3.889 1.357 -3.735 1.00 0.00 O +ATOM 360 CB PHE A 559 -5.155 -1.356 -3.266 1.00 0.00 C +ATOM 361 CG PHE A 559 -5.391 -2.829 -3.290 1.00 0.00 C +ATOM 362 CD1 PHE A 559 -5.544 -3.502 -4.489 1.00 0.00 C +ATOM 363 CD2 PHE A 559 -5.446 -3.537 -2.111 1.00 0.00 C +ATOM 364 CE1 PHE A 559 -5.748 -4.865 -4.510 1.00 0.00 C +ATOM 365 CE2 PHE A 559 -5.653 -4.912 -2.122 1.00 0.00 C +ATOM 366 CZ PHE A 559 -5.802 -5.572 -3.326 1.00 0.00 C +ATOM 367 H PHE A 559 -3.342 -0.483 -1.593 1.00 0.00 H +ATOM 368 HA PHE A 559 -3.294 -1.806 -4.190 1.00 0.00 H +ATOM 369 HB2 PHE A 559 -5.410 -0.978 -2.288 1.00 0.00 H +ATOM 370 HB3 PHE A 559 -5.790 -0.894 -3.982 1.00 0.00 H +ATOM 371 HD1 PHE A 559 -5.502 -2.950 -5.417 1.00 0.00 H +ATOM 372 HD2 PHE A 559 -5.305 -3.005 -1.178 1.00 0.00 H +ATOM 373 HE1 PHE A 559 -5.864 -5.380 -5.453 1.00 0.00 H +ATOM 374 HE2 PHE A 559 -5.707 -5.468 -1.198 1.00 0.00 H +ATOM 375 HZ PHE A 559 -5.963 -6.640 -3.340 1.00 0.00 H +ATOM 376 N LEU A 560 -3.207 0.255 -5.573 1.00 0.00 N +ATOM 377 CA LEU A 560 -3.070 1.465 -6.372 1.00 0.00 C +ATOM 378 C LEU A 560 -4.328 1.677 -7.200 1.00 0.00 C +ATOM 379 O LEU A 560 -4.593 2.781 -7.681 1.00 0.00 O +ATOM 380 CB LEU A 560 -1.847 1.373 -7.288 1.00 0.00 C +ATOM 381 CG LEU A 560 -0.494 1.373 -6.572 1.00 0.00 C +ATOM 382 CD1 LEU A 560 0.637 1.229 -7.577 1.00 0.00 C +ATOM 383 CD2 LEU A 560 -0.322 2.645 -5.753 1.00 0.00 C +ATOM 384 H LEU A 560 -3.029 -0.608 -6.003 1.00 0.00 H +ATOM 385 HA LEU A 560 -2.948 2.299 -5.698 1.00 0.00 H +ATOM 386 HB2 LEU A 560 -1.925 0.464 -7.866 1.00 0.00 H +ATOM 387 HB3 LEU A 560 -1.868 2.213 -7.968 1.00 0.00 H +ATOM 388 HG LEU A 560 -0.452 0.530 -5.898 1.00 0.00 H +ATOM 389 HD11 LEU A 560 0.619 2.065 -8.260 1.00 0.00 H +ATOM 390 HD12 LEU A 560 0.514 0.309 -8.128 1.00 0.00 H +ATOM 391 HD13 LEU A 560 1.582 1.211 -7.054 1.00 0.00 H +ATOM 392 HD21 LEU A 560 -0.394 3.504 -6.403 1.00 0.00 H +ATOM 393 HD22 LEU A 560 0.646 2.636 -5.272 1.00 0.00 H +ATOM 394 HD23 LEU A 560 -1.096 2.696 -5.001 1.00 0.00 H +ATOM 395 N ASN A 561 -5.096 0.606 -7.360 1.00 0.00 N +ATOM 396 CA ASN A 561 -6.342 0.665 -8.107 1.00 0.00 C +ATOM 397 C ASN A 561 -7.401 1.317 -7.229 1.00 0.00 C +ATOM 398 O ASN A 561 -8.209 0.640 -6.594 1.00 0.00 O +ATOM 399 CB ASN A 561 -6.776 -0.736 -8.540 1.00 0.00 C +ATOM 400 CG ASN A 561 -7.659 -0.713 -9.772 1.00 0.00 C +ATOM 401 OD1 ASN A 561 -8.395 0.246 -10.005 1.00 0.00 O +ATOM 402 ND2 ASN A 561 -7.589 -1.772 -10.570 1.00 0.00 N +ATOM 403 H ASN A 561 -4.823 -0.238 -6.943 1.00 0.00 H +ATOM 404 HA ASN A 561 -6.179 1.279 -8.982 1.00 0.00 H +ATOM 405 HB2 ASN A 561 -5.900 -1.326 -8.759 1.00 0.00 H +ATOM 406 HB3 ASN A 561 -7.326 -1.202 -7.734 1.00 0.00 H +ATOM 407 HD21 ASN A 561 -6.981 -2.499 -10.321 1.00 0.00 H +ATOM 408 HD22 ASN A 561 -8.149 -1.782 -11.375 1.00 0.00 H +ATOM 409 N ARG A 562 -7.380 2.643 -7.208 1.00 0.00 N +ATOM 410 CA ARG A 562 -8.290 3.424 -6.382 1.00 0.00 C +ATOM 411 C ARG A 562 -9.752 3.155 -6.738 1.00 0.00 C +ATOM 412 O ARG A 562 -10.563 2.848 -5.865 1.00 0.00 O +ATOM 413 CB ARG A 562 -7.963 4.906 -6.531 1.00 0.00 C +ATOM 414 CG ARG A 562 -6.471 5.204 -6.511 1.00 0.00 C +ATOM 415 CD ARG A 562 -5.866 4.934 -5.142 1.00 0.00 C +ATOM 416 NE ARG A 562 -4.413 5.065 -5.149 1.00 0.00 N +ATOM 417 CZ ARG A 562 -3.697 5.419 -4.086 1.00 0.00 C +ATOM 418 NH1 ARG A 562 -4.300 5.690 -2.936 1.00 0.00 N +ATOM 419 NH2 ARG A 562 -2.377 5.505 -4.172 1.00 0.00 N +ATOM 420 H ARG A 562 -6.752 3.112 -7.795 1.00 0.00 H +ATOM 421 HA ARG A 562 -8.129 3.137 -5.356 1.00 0.00 H +ATOM 422 HB2 ARG A 562 -8.369 5.264 -7.465 1.00 0.00 H +ATOM 423 HB3 ARG A 562 -8.423 5.445 -5.717 1.00 0.00 H +ATOM 424 HG2 ARG A 562 -5.980 4.576 -7.240 1.00 0.00 H +ATOM 425 HG3 ARG A 562 -6.319 6.242 -6.764 1.00 0.00 H +ATOM 426 HD2 ARG A 562 -6.277 5.639 -4.436 1.00 0.00 H +ATOM 427 HD3 ARG A 562 -6.127 3.930 -4.839 1.00 0.00 H +ATOM 428 HE ARG A 562 -3.943 4.874 -5.989 1.00 0.00 H +ATOM 429 HH11 ARG A 562 -5.296 5.628 -2.866 1.00 0.00 H +ATOM 430 HH12 ARG A 562 -3.760 5.956 -2.138 1.00 0.00 H +ATOM 431 HH21 ARG A 562 -1.918 5.303 -5.037 1.00 0.00 H +ATOM 432 HH22 ARG A 562 -1.840 5.771 -3.372 1.00 0.00 H +ATOM 433 N GLU A 563 -10.085 3.302 -8.014 1.00 0.00 N +ATOM 434 CA GLU A 563 -11.446 3.051 -8.489 1.00 0.00 C +ATOM 435 C GLU A 563 -11.928 1.672 -8.048 1.00 0.00 C +ATOM 436 O GLU A 563 -13.117 1.463 -7.760 1.00 0.00 O +ATOM 437 CB GLU A 563 -11.494 3.144 -10.011 1.00 0.00 C +ATOM 438 CG GLU A 563 -11.725 4.552 -10.535 1.00 0.00 C +ATOM 439 CD GLU A 563 -10.637 5.519 -10.108 1.00 0.00 C +ATOM 440 OE1 GLU A 563 -9.552 5.502 -10.726 1.00 0.00 O +ATOM 441 OE2 GLU A 563 -10.872 6.294 -9.157 1.00 0.00 O +ATOM 442 H GLU A 563 -9.403 3.614 -8.646 1.00 0.00 H +ATOM 443 HA GLU A 563 -12.094 3.803 -8.066 1.00 0.00 H +ATOM 444 HB2 GLU A 563 -10.557 2.785 -10.411 1.00 0.00 H +ATOM 445 HB3 GLU A 563 -12.289 2.511 -10.370 1.00 0.00 H +ATOM 446 HG2 GLU A 563 -11.754 4.521 -11.613 1.00 0.00 H +ATOM 447 HG3 GLU A 563 -12.673 4.910 -10.160 1.00 0.00 H +ATOM 448 N ALA A 564 -10.984 0.746 -7.951 1.00 0.00 N +ATOM 449 CA ALA A 564 -11.280 -0.626 -7.570 1.00 0.00 C +ATOM 450 C ALA A 564 -11.599 -0.723 -6.088 1.00 0.00 C +ATOM 451 O ALA A 564 -12.266 -1.661 -5.652 1.00 0.00 O +ATOM 452 CB ALA A 564 -10.120 -1.542 -7.920 1.00 0.00 C +ATOM 453 H ALA A 564 -10.047 1.004 -8.063 1.00 0.00 H +ATOM 454 HA ALA A 564 -12.143 -0.947 -8.134 1.00 0.00 H +ATOM 455 HB1 ALA A 564 -9.905 -1.464 -8.976 1.00 0.00 H +ATOM 456 HB2 ALA A 564 -10.382 -2.561 -7.680 1.00 0.00 H +ATOM 457 HB3 ALA A 564 -9.249 -1.252 -7.352 1.00 0.00 H +ATOM 458 N ASN A 565 -11.120 0.245 -5.307 1.00 0.00 N +ATOM 459 CA ASN A 565 -11.354 0.237 -3.872 1.00 0.00 C +ATOM 460 C ASN A 565 -12.758 0.729 -3.584 1.00 0.00 C +ATOM 461 O ASN A 565 -13.507 0.098 -2.848 1.00 0.00 O +ATOM 462 CB ASN A 565 -10.352 1.134 -3.146 1.00 0.00 C +ATOM 463 CG ASN A 565 -8.932 0.926 -3.614 1.00 0.00 C +ATOM 464 OD1 ASN A 565 -8.546 -0.172 -4.017 1.00 0.00 O +ATOM 465 ND2 ASN A 565 -8.144 1.991 -3.564 1.00 0.00 N +ATOM 466 H ASN A 565 -10.711 1.042 -5.697 1.00 0.00 H +ATOM 467 HA ASN A 565 -11.252 -0.776 -3.518 1.00 0.00 H +ATOM 468 HB2 ASN A 565 -10.618 2.166 -3.316 1.00 0.00 H +ATOM 469 HB3 ASN A 565 -10.397 0.926 -2.088 1.00 0.00 H +ATOM 470 HD21 ASN A 565 -8.523 2.831 -3.232 1.00 0.00 H +ATOM 471 HD22 ASN A 565 -7.220 1.895 -3.863 1.00 0.00 H +ATOM 472 N LEU A 566 -13.124 1.848 -4.207 1.00 0.00 N +ATOM 473 CA LEU A 566 -14.411 2.420 -4.022 1.00 0.00 C +ATOM 474 C LEU A 566 -15.466 1.370 -4.274 1.00 0.00 C +ATOM 475 O LEU A 566 -16.396 1.200 -3.484 1.00 0.00 O +ATOM 476 CB LEU A 566 -14.595 3.570 -4.994 1.00 0.00 C +ATOM 477 CG LEU A 566 -16.003 4.031 -5.032 1.00 0.00 C +ATOM 478 CD1 LEU A 566 -16.163 5.327 -4.276 1.00 0.00 C +ATOM 479 CD2 LEU A 566 -16.527 4.134 -6.454 1.00 0.00 C +ATOM 480 H LEU A 566 -12.550 2.251 -4.866 1.00 0.00 H +ATOM 481 HA LEU A 566 -14.509 2.788 -3.017 1.00 0.00 H +ATOM 482 HB2 LEU A 566 -13.964 4.392 -4.700 1.00 0.00 H +ATOM 483 HB3 LEU A 566 -14.321 3.240 -5.979 1.00 0.00 H +ATOM 484 HG LEU A 566 -16.547 3.283 -4.518 1.00 0.00 H +ATOM 485 HD11 LEU A 566 -17.207 5.573 -4.193 1.00 0.00 H +ATOM 486 HD12 LEU A 566 -15.643 6.113 -4.802 1.00 0.00 H +ATOM 487 HD13 LEU A 566 -15.738 5.211 -3.289 1.00 0.00 H +ATOM 488 HD21 LEU A 566 -16.422 3.173 -6.947 1.00 0.00 H +ATOM 489 HD22 LEU A 566 -15.956 4.885 -6.993 1.00 0.00 H +ATOM 490 HD23 LEU A 566 -17.575 4.420 -6.432 1.00 0.00 H +ATOM 491 N GLN A 567 -15.314 0.665 -5.382 1.00 0.00 N +ATOM 492 CA GLN A 567 -16.285 -0.349 -5.728 1.00 0.00 C +ATOM 493 C GLN A 567 -16.197 -1.568 -4.854 1.00 0.00 C +ATOM 494 O GLN A 567 -17.228 -2.148 -4.513 1.00 0.00 O +ATOM 495 CB GLN A 567 -16.217 -0.722 -7.210 1.00 0.00 C +ATOM 496 CG GLN A 567 -17.292 -1.711 -7.635 1.00 0.00 C +ATOM 497 CD GLN A 567 -17.102 -2.214 -9.055 1.00 0.00 C +ATOM 498 OE1 GLN A 567 -17.475 -3.343 -9.378 1.00 0.00 O +ATOM 499 NE2 GLN A 567 -16.522 -1.381 -9.911 1.00 0.00 N +ATOM 500 H GLN A 567 -14.535 0.832 -5.957 1.00 0.00 H +ATOM 501 HA GLN A 567 -17.230 0.082 -5.510 1.00 0.00 H +ATOM 502 HB2 GLN A 567 -16.328 0.175 -7.801 1.00 0.00 H +ATOM 503 HB3 GLN A 567 -15.252 -1.161 -7.415 1.00 0.00 H +ATOM 504 HG2 GLN A 567 -17.270 -2.557 -6.966 1.00 0.00 H +ATOM 505 HG3 GLN A 567 -18.255 -1.226 -7.568 1.00 0.00 H +ATOM 506 HE21 GLN A 567 -16.253 -0.497 -9.586 1.00 0.00 H +ATOM 507 HE22 GLN A 567 -16.389 -1.683 -10.834 1.00 0.00 H +ATOM 508 N ALA A 568 -15.004 -1.981 -4.488 1.00 0.00 N +ATOM 509 CA ALA A 568 -14.899 -3.125 -3.626 1.00 0.00 C +ATOM 510 C ALA A 568 -15.620 -2.815 -2.328 1.00 0.00 C +ATOM 511 O ALA A 568 -16.224 -3.698 -1.713 1.00 0.00 O +ATOM 512 CB ALA A 568 -13.444 -3.480 -3.377 1.00 0.00 C +ATOM 513 H ALA A 568 -14.190 -1.513 -4.767 1.00 0.00 H +ATOM 514 HA ALA A 568 -15.383 -3.962 -4.113 1.00 0.00 H +ATOM 515 HB1 ALA A 568 -12.921 -2.608 -3.019 1.00 0.00 H +ATOM 516 HB2 ALA A 568 -12.993 -3.819 -4.297 1.00 0.00 H +ATOM 517 HB3 ALA A 568 -13.386 -4.264 -2.637 1.00 0.00 H +ATOM 518 N LEU A 569 -15.606 -1.537 -1.929 1.00 0.00 N +ATOM 519 CA LEU A 569 -16.230 -1.127 -0.712 1.00 0.00 C +ATOM 520 C LEU A 569 -17.751 -1.114 -0.831 1.00 0.00 C +ATOM 521 O LEU A 569 -18.462 -1.463 0.112 1.00 0.00 O +ATOM 522 CB LEU A 569 -15.704 0.250 -0.412 1.00 0.00 C +ATOM 523 CG LEU A 569 -14.422 0.303 0.412 1.00 0.00 C +ATOM 524 CD1 LEU A 569 -14.698 -0.103 1.845 1.00 0.00 C +ATOM 525 CD2 LEU A 569 -13.336 -0.581 -0.169 1.00 0.00 C +ATOM 526 H LEU A 569 -15.203 -0.810 -2.481 1.00 0.00 H +ATOM 527 HA LEU A 569 -15.933 -1.801 0.074 1.00 0.00 H +ATOM 528 HB2 LEU A 569 -15.517 0.748 -1.352 1.00 0.00 H +ATOM 529 HB3 LEU A 569 -16.461 0.784 0.102 1.00 0.00 H +ATOM 530 HG LEU A 569 -14.060 1.321 0.399 1.00 0.00 H +ATOM 531 HD11 LEU A 569 -13.831 0.111 2.453 1.00 0.00 H +ATOM 532 HD12 LEU A 569 -14.913 -1.160 1.885 1.00 0.00 H +ATOM 533 HD13 LEU A 569 -15.546 0.451 2.217 1.00 0.00 H +ATOM 534 HD21 LEU A 569 -12.814 -0.042 -0.952 1.00 0.00 H +ATOM 535 HD22 LEU A 569 -13.780 -1.483 -0.579 1.00 0.00 H +ATOM 536 HD23 LEU A 569 -12.635 -0.847 0.616 1.00 0.00 H +ATOM 537 N ILE A 570 -18.242 -0.708 -1.998 1.00 0.00 N +ATOM 538 CA ILE A 570 -19.676 -0.637 -2.247 1.00 0.00 C +ATOM 539 C ILE A 570 -20.298 -2.026 -2.221 1.00 0.00 C +ATOM 540 O ILE A 570 -21.407 -2.214 -1.719 1.00 0.00 O +ATOM 541 CB ILE A 570 -19.971 0.031 -3.608 1.00 0.00 C +ATOM 542 CG1 ILE A 570 -19.646 1.529 -3.557 1.00 0.00 C +ATOM 543 CG2 ILE A 570 -21.420 -0.190 -4.020 1.00 0.00 C +ATOM 544 CD1 ILE A 570 -20.564 2.325 -2.652 1.00 0.00 C +ATOM 545 H ILE A 570 -17.623 -0.474 -2.721 1.00 0.00 H +ATOM 546 HA ILE A 570 -20.121 -0.036 -1.467 1.00 0.00 H +ATOM 547 HB ILE A 570 -19.341 -0.436 -4.351 1.00 0.00 H +ATOM 548 HG12 ILE A 570 -18.637 1.659 -3.197 1.00 0.00 H +ATOM 549 HG13 ILE A 570 -19.723 1.940 -4.553 1.00 0.00 H +ATOM 550 HG21 ILE A 570 -21.588 -1.242 -4.201 1.00 0.00 H +ATOM 551 HG22 ILE A 570 -21.626 0.367 -4.922 1.00 0.00 H +ATOM 552 HG23 ILE A 570 -22.075 0.148 -3.232 1.00 0.00 H +ATOM 553 HD11 ILE A 570 -20.524 1.921 -1.653 1.00 0.00 H +ATOM 554 HD12 ILE A 570 -21.577 2.266 -3.024 1.00 0.00 H +ATOM 555 HD13 ILE A 570 -20.248 3.357 -2.636 1.00 0.00 H +ATOM 556 N ALA A 571 -19.576 -2.997 -2.765 1.00 0.00 N +ATOM 557 CA ALA A 571 -20.056 -4.369 -2.816 1.00 0.00 C +ATOM 558 C ALA A 571 -19.829 -5.087 -1.491 1.00 0.00 C +ATOM 559 O ALA A 571 -20.413 -6.142 -1.245 1.00 0.00 O +ATOM 560 CB ALA A 571 -19.378 -5.124 -3.948 1.00 0.00 C +ATOM 561 H ALA A 571 -18.696 -2.785 -3.141 1.00 0.00 H +ATOM 562 HA ALA A 571 -21.117 -4.340 -3.019 1.00 0.00 H +ATOM 563 HB1 ALA A 571 -18.324 -5.227 -3.733 1.00 0.00 H +ATOM 564 HB2 ALA A 571 -19.505 -4.579 -4.872 1.00 0.00 H +ATOM 565 HB3 ALA A 571 -19.822 -6.103 -4.045 1.00 0.00 H +ATOM 566 N THR A 572 -18.980 -4.516 -0.637 1.00 0.00 N +ATOM 567 CA THR A 572 -18.694 -5.132 0.651 1.00 0.00 C +ATOM 568 C THR A 572 -19.382 -4.419 1.819 1.00 0.00 C +ATOM 569 O THR A 572 -19.180 -4.791 2.973 1.00 0.00 O +ATOM 570 CB THR A 572 -17.182 -5.187 0.919 1.00 0.00 C +ATOM 571 OG1 THR A 572 -16.605 -3.885 0.774 1.00 0.00 O +ATOM 572 CG2 THR A 572 -16.510 -6.165 -0.031 1.00 0.00 C +ATOM 573 H THR A 572 -18.531 -3.676 -0.880 1.00 0.00 H +ATOM 574 HA THR A 572 -19.057 -6.147 0.613 1.00 0.00 H +ATOM 575 HB THR A 572 -17.025 -5.528 1.929 1.00 0.00 H +ATOM 576 HG1 THR A 572 -17.218 -3.224 1.104 1.00 0.00 H +ATOM 577 HG21 THR A 572 -15.469 -6.266 0.231 1.00 0.00 H +ATOM 578 HG22 THR A 572 -16.592 -5.798 -1.044 1.00 0.00 H +ATOM 579 HG23 THR A 572 -16.994 -7.129 0.040 1.00 0.00 H +ATOM 580 N GLY A 573 -20.211 -3.413 1.524 1.00 0.00 N +ATOM 581 CA GLY A 573 -20.918 -2.682 2.570 1.00 0.00 C +ATOM 582 C GLY A 573 -20.057 -2.243 3.741 1.00 0.00 C +ATOM 583 O GLY A 573 -20.545 -2.166 4.870 1.00 0.00 O +ATOM 584 H GLY A 573 -20.401 -3.171 0.594 1.00 0.00 H +ATOM 585 HA2 GLY A 573 -21.357 -1.798 2.129 1.00 0.00 H +ATOM 586 HA3 GLY A 573 -21.715 -3.308 2.945 1.00 0.00 H +ATOM 587 N GLY A 574 -18.786 -1.945 3.492 1.00 0.00 N +ATOM 588 CA GLY A 574 -17.916 -1.501 4.571 1.00 0.00 C +ATOM 589 C GLY A 574 -16.888 -2.540 4.976 1.00 0.00 C +ATOM 590 O GLY A 574 -15.904 -2.217 5.638 1.00 0.00 O +ATOM 591 H GLY A 574 -18.434 -2.048 2.582 1.00 0.00 H +ATOM 592 HA2 GLY A 574 -17.400 -0.607 4.253 1.00 0.00 H +ATOM 593 HA3 GLY A 574 -18.526 -1.262 5.430 1.00 0.00 H +ATOM 594 N ASP A 575 -17.122 -3.789 4.589 1.00 0.00 N +ATOM 595 CA ASP A 575 -16.204 -4.873 4.895 1.00 0.00 C +ATOM 596 C ASP A 575 -14.999 -4.754 3.979 1.00 0.00 C +ATOM 597 O ASP A 575 -14.877 -5.465 2.981 1.00 0.00 O +ATOM 598 CB ASP A 575 -16.897 -6.221 4.714 1.00 0.00 C +ATOM 599 CG ASP A 575 -17.782 -6.581 5.892 1.00 0.00 C +ATOM 600 OD1 ASP A 575 -18.969 -6.190 5.886 1.00 0.00 O +ATOM 601 OD2 ASP A 575 -17.288 -7.255 6.820 1.00 0.00 O +ATOM 602 H ASP A 575 -17.921 -3.982 4.077 1.00 0.00 H +ATOM 603 HA ASP A 575 -15.882 -4.766 5.921 1.00 0.00 H +ATOM 604 HB2 ASP A 575 -17.513 -6.187 3.828 1.00 0.00 H +ATOM 605 HB3 ASP A 575 -16.153 -6.985 4.597 1.00 0.00 H +ATOM 606 N ILE A 576 -14.114 -3.842 4.341 1.00 0.00 N +ATOM 607 CA ILE A 576 -12.933 -3.544 3.557 1.00 0.00 C +ATOM 608 C ILE A 576 -11.978 -4.705 3.560 1.00 0.00 C +ATOM 609 O ILE A 576 -11.337 -4.981 2.560 1.00 0.00 O +ATOM 610 CB ILE A 576 -12.218 -2.293 4.087 1.00 0.00 C +ATOM 611 CG1 ILE A 576 -13.223 -1.384 4.815 1.00 0.00 C +ATOM 612 CG2 ILE A 576 -11.534 -1.565 2.938 1.00 0.00 C +ATOM 613 CD1 ILE A 576 -12.776 0.055 4.950 1.00 0.00 C +ATOM 614 H ILE A 576 -14.256 -3.356 5.169 1.00 0.00 H +ATOM 615 HA ILE A 576 -13.247 -3.350 2.541 1.00 0.00 H +ATOM 616 HB ILE A 576 -11.461 -2.611 4.785 1.00 0.00 H +ATOM 617 HG12 ILE A 576 -14.168 -1.398 4.287 1.00 0.00 H +ATOM 618 HG13 ILE A 576 -13.374 -1.769 5.815 1.00 0.00 H +ATOM 619 HG21 ILE A 576 -10.890 -2.253 2.409 1.00 0.00 H +ATOM 620 HG22 ILE A 576 -10.944 -0.752 3.326 1.00 0.00 H +ATOM 621 HG23 ILE A 576 -12.280 -1.179 2.261 1.00 0.00 H +ATOM 622 HD11 ILE A 576 -11.817 0.089 5.442 1.00 0.00 H +ATOM 623 HD12 ILE A 576 -13.500 0.601 5.535 1.00 0.00 H +ATOM 624 HD13 ILE A 576 -12.696 0.501 3.970 1.00 0.00 H +ATOM 625 N ASN A 577 -11.949 -5.405 4.681 1.00 0.00 N +ATOM 626 CA ASN A 577 -11.097 -6.557 4.872 1.00 0.00 C +ATOM 627 C ASN A 577 -11.556 -7.663 3.936 1.00 0.00 C +ATOM 628 O ASN A 577 -10.760 -8.301 3.243 1.00 0.00 O +ATOM 629 CB ASN A 577 -11.215 -6.998 6.323 1.00 0.00 C +ATOM 630 CG ASN A 577 -10.215 -6.304 7.221 1.00 0.00 C +ATOM 631 OD1 ASN A 577 -9.673 -6.904 8.150 1.00 0.00 O +ATOM 632 ND2 ASN A 577 -9.976 -5.027 6.953 1.00 0.00 N +ATOM 633 H ASN A 577 -12.591 -5.201 5.370 1.00 0.00 H +ATOM 634 HA ASN A 577 -10.079 -6.283 4.652 1.00 0.00 H +ATOM 635 HB2 ASN A 577 -12.208 -6.759 6.680 1.00 0.00 H +ATOM 636 HB3 ASN A 577 -11.071 -8.050 6.384 1.00 0.00 H +ATOM 637 HD21 ASN A 577 -10.453 -4.615 6.203 1.00 0.00 H +ATOM 638 HD22 ASN A 577 -9.337 -4.548 7.516 1.00 0.00 H +ATOM 639 N ALA A 578 -12.866 -7.861 3.938 1.00 0.00 N +ATOM 640 CA ALA A 578 -13.488 -8.845 3.074 1.00 0.00 C +ATOM 641 C ALA A 578 -13.224 -8.431 1.635 1.00 0.00 C +ATOM 642 O ALA A 578 -13.085 -9.262 0.734 1.00 0.00 O +ATOM 643 CB ALA A 578 -14.982 -8.940 3.347 1.00 0.00 C +ATOM 644 H ALA A 578 -13.395 -7.300 4.541 1.00 0.00 H +ATOM 645 HA ALA A 578 -13.033 -9.807 3.261 1.00 0.00 H +ATOM 646 HB1 ALA A 578 -15.142 -9.218 4.379 1.00 0.00 H +ATOM 647 HB2 ALA A 578 -15.420 -9.687 2.701 1.00 0.00 H +ATOM 648 HB3 ALA A 578 -15.445 -7.984 3.157 1.00 0.00 H +ATOM 649 N ALA A 579 -13.131 -7.115 1.450 1.00 0.00 N +ATOM 650 CA ALA A 579 -12.867 -6.529 0.150 1.00 0.00 C +ATOM 651 C ALA A 579 -11.411 -6.718 -0.256 1.00 0.00 C +ATOM 652 O ALA A 579 -11.122 -6.881 -1.429 1.00 0.00 O +ATOM 653 CB ALA A 579 -13.221 -5.049 0.156 1.00 0.00 C +ATOM 654 H ALA A 579 -13.257 -6.518 2.217 1.00 0.00 H +ATOM 655 HA ALA A 579 -13.499 -7.021 -0.574 1.00 0.00 H +ATOM 656 HB1 ALA A 579 -13.158 -4.659 -0.850 1.00 0.00 H +ATOM 657 HB2 ALA A 579 -12.532 -4.516 0.793 1.00 0.00 H +ATOM 658 HB3 ALA A 579 -14.227 -4.921 0.529 1.00 0.00 H +ATOM 659 N ILE A 580 -10.496 -6.695 0.713 1.00 0.00 N +ATOM 660 CA ILE A 580 -9.086 -6.858 0.429 1.00 0.00 C +ATOM 661 C ILE A 580 -8.820 -8.232 -0.171 1.00 0.00 C +ATOM 662 O ILE A 580 -8.076 -8.376 -1.140 1.00 0.00 O +ATOM 663 CB ILE A 580 -8.266 -6.729 1.721 1.00 0.00 C +ATOM 664 CG1 ILE A 580 -8.746 -5.541 2.569 1.00 0.00 C +ATOM 665 CG2 ILE A 580 -6.781 -6.622 1.400 1.00 0.00 C +ATOM 666 CD1 ILE A 580 -7.785 -5.124 3.662 1.00 0.00 C +ATOM 667 H ILE A 580 -10.769 -6.575 1.644 1.00 0.00 H +ATOM 668 HA ILE A 580 -8.776 -6.091 -0.262 1.00 0.00 H +ATOM 669 HB ILE A 580 -8.426 -7.629 2.278 1.00 0.00 H +ATOM 670 HG12 ILE A 580 -8.907 -4.693 1.927 1.00 0.00 H +ATOM 671 HG13 ILE A 580 -9.686 -5.804 3.049 1.00 0.00 H +ATOM 672 HG21 ILE A 580 -6.586 -5.685 0.899 1.00 0.00 H +ATOM 673 HG22 ILE A 580 -6.492 -7.440 0.755 1.00 0.00 H +ATOM 674 HG23 ILE A 580 -6.210 -6.667 2.315 1.00 0.00 H +ATOM 675 HD11 ILE A 580 -6.956 -4.584 3.224 1.00 0.00 H +ATOM 676 HD12 ILE A 580 -7.416 -6.005 4.173 1.00 0.00 H +ATOM 677 HD13 ILE A 580 -8.300 -4.484 4.369 1.00 0.00 H +ATOM 678 N GLU A 581 -9.447 -9.233 0.430 1.00 0.00 N +ATOM 679 CA GLU A 581 -9.294 -10.623 0.011 1.00 0.00 C +ATOM 680 C GLU A 581 -9.932 -10.875 -1.348 1.00 0.00 C +ATOM 681 O GLU A 581 -9.392 -11.612 -2.173 1.00 0.00 O +ATOM 682 CB GLU A 581 -9.913 -11.558 1.051 1.00 0.00 C +ATOM 683 CG GLU A 581 -9.265 -11.461 2.422 1.00 0.00 C +ATOM 684 CD GLU A 581 -9.979 -12.301 3.461 1.00 0.00 C +ATOM 685 OE1 GLU A 581 -9.691 -13.513 3.548 1.00 0.00 O +ATOM 686 OE2 GLU A 581 -10.830 -11.747 4.189 1.00 0.00 O +ATOM 687 H GLU A 581 -10.066 -9.023 1.156 1.00 0.00 H +ATOM 688 HA GLU A 581 -8.237 -10.831 -0.058 1.00 0.00 H +ATOM 689 HB2 GLU A 581 -10.962 -11.319 1.155 1.00 0.00 H +ATOM 690 HB3 GLU A 581 -9.818 -12.576 0.703 1.00 0.00 H +ATOM 691 HG2 GLU A 581 -8.243 -11.802 2.347 1.00 0.00 H +ATOM 692 HG3 GLU A 581 -9.277 -10.430 2.740 1.00 0.00 H +ATOM 693 N ARG A 582 -11.086 -10.257 -1.572 1.00 0.00 N +ATOM 694 CA ARG A 582 -11.810 -10.435 -2.821 1.00 0.00 C +ATOM 695 C ARG A 582 -11.184 -9.619 -3.949 1.00 0.00 C +ATOM 696 O ARG A 582 -11.073 -10.084 -5.083 1.00 0.00 O +ATOM 697 CB ARG A 582 -13.279 -10.047 -2.646 1.00 0.00 C +ATOM 698 CG ARG A 582 -13.920 -9.527 -3.919 1.00 0.00 C +ATOM 699 CD ARG A 582 -15.416 -9.782 -3.942 1.00 0.00 C +ATOM 700 NE ARG A 582 -16.045 -9.231 -5.139 1.00 0.00 N +ATOM 701 CZ ARG A 582 -16.695 -9.966 -6.038 1.00 0.00 C +ATOM 702 NH1 ARG A 582 -16.802 -11.278 -5.877 1.00 0.00 N +ATOM 703 NH2 ARG A 582 -17.238 -9.386 -7.099 1.00 0.00 N +ATOM 704 H ARG A 582 -11.403 -9.593 -0.921 1.00 0.00 H +ATOM 705 HA ARG A 582 -11.758 -11.481 -3.084 1.00 0.00 H +ATOM 706 HB2 ARG A 582 -13.833 -10.914 -2.316 1.00 0.00 H +ATOM 707 HB3 ARG A 582 -13.348 -9.276 -1.892 1.00 0.00 H +ATOM 708 HG2 ARG A 582 -13.745 -8.462 -3.983 1.00 0.00 H +ATOM 709 HG3 ARG A 582 -13.459 -10.020 -4.766 1.00 0.00 H +ATOM 710 HD2 ARG A 582 -15.588 -10.849 -3.915 1.00 0.00 H +ATOM 711 HD3 ARG A 582 -15.861 -9.324 -3.070 1.00 0.00 H +ATOM 712 HE ARG A 582 -15.981 -8.263 -5.280 1.00 0.00 H +ATOM 713 HH11 ARG A 582 -16.394 -11.719 -5.077 1.00 0.00 H +ATOM 714 HH12 ARG A 582 -17.290 -11.827 -6.555 1.00 0.00 H +ATOM 715 HH21 ARG A 582 -17.160 -8.396 -7.224 1.00 0.00 H +ATOM 716 HH22 ARG A 582 -17.724 -9.939 -7.776 1.00 0.00 H +ATOM 717 N LEU A 583 -10.780 -8.399 -3.620 1.00 0.00 N +ATOM 718 CA LEU A 583 -10.210 -7.481 -4.558 1.00 0.00 C +ATOM 719 C LEU A 583 -8.911 -8.012 -5.143 1.00 0.00 C +ATOM 720 O LEU A 583 -8.688 -7.939 -6.352 1.00 0.00 O +ATOM 721 CB LEU A 583 -9.983 -6.174 -3.816 1.00 0.00 C +ATOM 722 CG LEU A 583 -8.986 -5.248 -4.454 1.00 0.00 C +ATOM 723 CD1 LEU A 583 -9.345 -4.946 -5.904 1.00 0.00 C +ATOM 724 CD2 LEU A 583 -8.855 -3.966 -3.655 1.00 0.00 C +ATOM 725 H LEU A 583 -10.851 -8.095 -2.703 1.00 0.00 H +ATOM 726 HA LEU A 583 -10.922 -7.319 -5.353 1.00 0.00 H +ATOM 727 HB2 LEU A 583 -10.926 -5.665 -3.711 1.00 0.00 H +ATOM 728 HB3 LEU A 583 -9.618 -6.416 -2.827 1.00 0.00 H +ATOM 729 HG LEU A 583 -8.046 -5.758 -4.428 1.00 0.00 H +ATOM 730 HD11 LEU A 583 -8.677 -4.190 -6.289 1.00 0.00 H +ATOM 731 HD12 LEU A 583 -10.363 -4.590 -5.957 1.00 0.00 H +ATOM 732 HD13 LEU A 583 -9.249 -5.845 -6.494 1.00 0.00 H +ATOM 733 HD21 LEU A 583 -8.122 -3.325 -4.118 1.00 0.00 H +ATOM 734 HD22 LEU A 583 -8.544 -4.199 -2.647 1.00 0.00 H +ATOM 735 HD23 LEU A 583 -9.808 -3.460 -3.629 1.00 0.00 H +ATOM 736 N LEU A 584 -8.056 -8.554 -4.288 1.00 0.00 N +ATOM 737 CA LEU A 584 -6.807 -9.089 -4.699 1.00 0.00 C +ATOM 738 C LEU A 584 -7.051 -10.356 -5.517 1.00 0.00 C +ATOM 739 O LEU A 584 -6.194 -10.805 -6.279 1.00 0.00 O +ATOM 740 CB LEU A 584 -6.032 -9.346 -3.416 1.00 0.00 C +ATOM 741 CG LEU A 584 -5.960 -10.799 -2.957 1.00 0.00 C +ATOM 742 CD1 LEU A 584 -4.844 -11.550 -3.669 1.00 0.00 C +ATOM 743 CD2 LEU A 584 -5.772 -10.868 -1.450 1.00 0.00 C +ATOM 744 H LEU A 584 -8.273 -8.637 -3.343 1.00 0.00 H +ATOM 745 HA LEU A 584 -6.291 -8.355 -5.299 1.00 0.00 H +ATOM 746 HB2 LEU A 584 -5.056 -8.957 -3.532 1.00 0.00 H +ATOM 747 HB3 LEU A 584 -6.514 -8.783 -2.632 1.00 0.00 H +ATOM 748 HG LEU A 584 -6.901 -11.274 -3.197 1.00 0.00 H +ATOM 749 HD11 LEU A 584 -4.644 -12.476 -3.149 1.00 0.00 H +ATOM 750 HD12 LEU A 584 -3.952 -10.944 -3.683 1.00 0.00 H +ATOM 751 HD13 LEU A 584 -5.146 -11.768 -4.683 1.00 0.00 H +ATOM 752 HD21 LEU A 584 -5.707 -11.902 -1.143 1.00 0.00 H +ATOM 753 HD22 LEU A 584 -6.613 -10.398 -0.961 1.00 0.00 H +ATOM 754 HD23 LEU A 584 -4.864 -10.353 -1.177 1.00 0.00 H +ATOM 755 N GLY A 585 -8.255 -10.908 -5.349 1.00 0.00 N +ATOM 756 CA GLY A 585 -8.639 -12.106 -6.070 1.00 0.00 C +ATOM 757 C GLY A 585 -8.562 -11.909 -7.571 1.00 0.00 C +ATOM 758 O GLY A 585 -7.653 -12.421 -8.227 1.00 0.00 O +ATOM 759 H GLY A 585 -8.874 -10.482 -4.714 1.00 0.00 H +ATOM 760 HA2 GLY A 585 -7.981 -12.915 -5.786 1.00 0.00 H +ATOM 761 HA3 GLY A 585 -9.651 -12.367 -5.803 1.00 0.00 H +ATOM 762 N SER A 586 -9.519 -11.164 -8.114 1.00 0.00 N +ATOM 763 CA SER A 586 -9.559 -10.882 -9.545 1.00 0.00 C +ATOM 764 C SER A 586 -10.152 -9.501 -9.801 1.00 0.00 C +ATOM 765 O SER A 586 -9.489 -8.620 -10.349 1.00 0.00 O +ATOM 766 CB SER A 586 -10.379 -11.945 -10.277 1.00 0.00 C +ATOM 767 OG SER A 586 -9.819 -13.234 -10.102 1.00 0.00 O +ATOM 768 H SER A 586 -10.223 -10.800 -7.538 1.00 0.00 H +ATOM 769 HA SER A 586 -8.543 -10.901 -9.915 1.00 0.00 H +ATOM 770 HB2 SER A 586 -11.387 -11.948 -9.892 1.00 0.00 H +ATOM 771 HB3 SER A 586 -10.399 -11.716 -11.333 1.00 0.00 H +ATOM 772 HG SER A 586 -10.407 -13.894 -10.477 1.00 0.00 H +ATOM 773 N SER A 587 -11.404 -9.321 -9.395 1.00 0.00 N +ATOM 774 CA SER A 587 -12.096 -8.049 -9.575 1.00 0.00 C +ATOM 775 C SER A 587 -11.543 -6.988 -8.627 1.00 0.00 C +ATOM 776 O SER A 587 -12.056 -6.883 -7.493 1.00 0.00 O +ATOM 777 CB SER A 587 -13.599 -8.225 -9.344 1.00 0.00 C +ATOM 778 OG SER A 587 -14.289 -7.001 -9.519 1.00 0.00 O +ATOM 779 OXT SER A 587 -10.602 -6.271 -9.026 1.00 0.00 O +ATOM 780 H SER A 587 -11.877 -10.065 -8.966 1.00 0.00 H +ATOM 781 HA SER A 587 -11.934 -7.726 -10.591 1.00 0.00 H +ATOM 782 HB2 SER A 587 -13.987 -8.948 -10.045 1.00 0.00 H +ATOM 783 HB3 SER A 587 -13.765 -8.577 -8.336 1.00 0.00 H +ATOM 784 HG SER A 587 -13.743 -6.277 -9.205 1.00 0.00 H Added: SwiftApps/modFTdock/input/2kb9-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2kb9-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2kb9-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,655 @@ +ATOM 1 N ARG A 1 1.329 0.000 0.000 1.00 0.00 N +ATOM 2 CA ARG A 1 2.093 -0.000 -1.242 1.00 20.13 C +ATOM 3 C ARG A 1 1.196 0.328 -2.432 1.00 21.31 C +ATOM 4 O ARG A 1 1.608 1.024 -3.360 1.00 40.02 O +ATOM 5 CB ARG A 1 2.763 -1.359 -1.453 1.00 72.12 C +ATOM 6 CG ARG A 1 4.281 -1.305 -1.402 1.00 11.53 C +ATOM 7 CD ARG A 1 4.894 -1.563 -2.769 1.00 43.31 C +ATOM 8 NE ARG A 1 4.363 -0.659 -3.786 1.00 65.35 N +ATOM 9 CZ ARG A 1 4.657 -0.754 -5.078 1.00 43.35 C +ATOM 10 NH1 ARG A 1 5.473 -1.707 -5.508 1.00 51.54 N +ATOM 11 NH2 ARG A 1 4.135 0.106 -5.944 1.00 15.05 N +ATOM 12 H1 ARG A 1 1.807 0.001 0.855 1.00 24.14 H +ATOM 13 HA ARG A 1 2.857 0.759 -1.162 1.00 14.04 H +ATOM 14 HB2 ARG A 1 2.423 -2.039 -0.685 1.00 51.53 H +ATOM 15 HB3 ARG A 1 2.471 -1.744 -2.418 1.00 74.44 H +ATOM 16 HG2 ARG A 1 4.585 -0.326 -1.062 1.00 44.51 H +ATOM 17 HG3 ARG A 1 4.635 -2.054 -0.710 1.00 63.21 H +ATOM 18 HD2 ARG A 1 5.963 -1.425 -2.701 1.00 40.43 H +ATOM 19 HD3 ARG A 1 4.681 -2.581 -3.058 1.00 14.11 H +ATOM 20 HE ARG A 1 3.759 0.052 -3.491 1.00 13.23 H +ATOM 21 HH11 ARG A 1 5.867 -2.356 -4.859 1.00 24.30 H +ATOM 22 HH12 ARG A 1 5.692 -1.776 -6.482 1.00 35.20 H +ATOM 23 HH21 ARG A 1 3.519 0.826 -5.623 1.00 61.52 H +ATOM 24 HH22 ARG A 1 4.356 0.034 -6.915 1.00 43.34 H +ATOM 25 N CYS A 2 -0.032 -0.179 -2.398 1.00 63.21 N +ATOM 26 CA CYS A 2 -0.987 0.058 -3.473 1.00 73.13 C +ATOM 27 C CYS A 2 -2.353 -0.527 -3.126 1.00 13.11 C +ATOM 28 O CYS A 2 -2.446 -1.589 -2.511 1.00 61.14 O +ATOM 29 CB CYS A 2 -0.477 -0.551 -4.781 1.00 31.12 C +ATOM 30 SG CYS A 2 -0.067 -2.322 -4.666 1.00 22.33 S +ATOM 31 H CYS A 2 -0.302 -0.727 -1.631 1.00 33.02 H +ATOM 32 HA CYS A 2 -1.088 1.125 -3.599 1.00 2.23 H +ATOM 33 HB2 CYS A 2 -1.236 -0.439 -5.541 1.00 74.43 H +ATOM 34 HB3 CYS A 2 0.414 -0.026 -5.090 1.00 4.10 H +ATOM 35 N GLN A 3 -3.410 0.174 -3.524 1.00 43.41 N +ATOM 36 CA GLN A 3 -4.770 -0.275 -3.254 1.00 73.24 C +ATOM 37 C GLN A 3 -5.778 0.510 -4.087 1.00 52.12 C +ATOM 38 O GLN A 3 -6.724 -0.058 -4.634 1.00 21.34 O +ATOM 39 CB GLN A 3 -5.094 -0.126 -1.767 1.00 23.22 C +ATOM 40 CG GLN A 3 -4.662 1.209 -1.181 1.00 74.31 C +ATOM 41 CD GLN A 3 -5.035 1.352 0.281 1.00 14.22 C +ATOM 42 OE1 GLN A 3 -4.288 0.939 1.168 1.00 44.20 O +ATOM 43 NE2 GLN A 3 -6.197 1.940 0.541 1.00 13.31 N +ATOM 44 H GLN A 3 -3.271 1.013 -4.010 1.00 1.41 H +ATOM 45 HA GLN A 3 -4.834 -1.318 -3.525 1.00 31.35 H +ATOM 46 HB2 GLN A 3 -6.160 -0.227 -1.630 1.00 60.45 H +ATOM 47 HB3 GLN A 3 -4.593 -0.912 -1.221 1.00 62.43 H +ATOM 48 HG2 GLN A 3 -3.590 1.298 -1.273 1.00 52.33 H +ATOM 49 HG3 GLN A 3 -5.138 2.002 -1.739 1.00 30.03 H +ATOM 50 HE21 GLN A 3 -6.742 2.243 -0.216 1.00 42.31 H +ATOM 51 HE22 GLN A 3 -6.464 2.045 1.477 1.00 4.54 H +ATOM 52 N TYR A 4 -5.570 1.819 -4.179 1.00 61.34 N +ATOM 53 CA TYR A 4 -6.462 2.683 -4.943 1.00 71.33 C +ATOM 54 C TYR A 4 -6.023 2.766 -6.402 1.00 3.11 C +ATOM 55 O TYR A 4 -4.934 3.250 -6.707 1.00 65.44 O +ATOM 56 CB TYR A 4 -6.499 4.083 -4.329 1.00 53.13 C +ATOM 57 CG TYR A 4 -7.880 4.700 -4.311 1.00 23.21 C +ATOM 58 CD1 TYR A 4 -8.644 4.775 -5.469 1.00 10.34 C +ATOM 59 CD2 TYR A 4 -8.420 5.206 -3.135 1.00 50.00 C +ATOM 60 CE1 TYR A 4 -9.905 5.339 -5.456 1.00 73.44 C +ATOM 61 CE2 TYR A 4 -9.681 5.770 -3.113 1.00 71.31 C +ATOM 62 CZ TYR A 4 -10.420 5.834 -4.276 1.00 45.23 C +ATOM 63 OH TYR A 4 -11.676 6.395 -4.260 1.00 32.33 O +ATOM 64 H TYR A 4 -4.799 2.214 -3.722 1.00 21.24 H +ATOM 65 HA TYR A 4 -7.453 2.256 -4.902 1.00 34.44 H +ATOM 66 HB2 TYR A 4 -6.146 4.032 -3.311 1.00 32.11 H +ATOM 67 HB3 TYR A 4 -5.852 4.735 -4.897 1.00 41.14 H +ATOM 68 HD1 TYR A 4 -8.238 4.386 -6.391 1.00 73.22 H +ATOM 69 HD2 TYR A 4 -7.839 5.154 -2.225 1.00 52.24 H +ATOM 70 HE1 TYR A 4 -10.484 5.389 -6.367 1.00 21.31 H +ATOM 71 HE2 TYR A 4 -10.084 6.158 -2.189 1.00 52.24 H +ATOM 72 HH TYR A 4 -11.773 6.986 -5.010 1.00 62.53 H +ATOM 73 N GLY A 5 -6.881 2.291 -7.300 1.00 24.02 N +ATOM 74 CA GLY A 5 -6.565 2.321 -8.716 1.00 23.11 C +ATOM 75 C GLY A 5 -5.578 1.241 -9.113 1.00 2.02 C +ATOM 76 O GLY A 5 -4.843 1.391 -10.089 1.00 1.11 O +ATOM 77 H GLY A 5 -7.735 1.917 -6.998 1.00 61.11 H +ATOM 78 HA2 GLY A 5 -7.476 2.186 -9.280 1.00 3.52 H +ATOM 79 HA3 GLY A 5 -6.142 3.285 -8.958 1.00 52.04 H +ATOM 80 N TRP A 6 -5.560 0.151 -8.354 1.00 45.22 N +ATOM 81 CA TRP A 6 -4.653 -0.958 -8.631 1.00 54.35 C +ATOM 82 C TRP A 6 -5.257 -2.281 -8.175 1.00 73.23 C +ATOM 83 O TRP A 6 -5.341 -2.555 -6.978 1.00 43.14 O +ATOM 84 CB TRP A 6 -3.309 -0.730 -7.938 1.00 72.31 C +ATOM 85 CG TRP A 6 -2.525 0.406 -8.521 1.00 42.10 C +ATOM 86 CD1 TRP A 6 -2.206 1.583 -7.905 1.00 70.34 C +ATOM 87 CD2 TRP A 6 -1.962 0.474 -9.836 1.00 34.41 C +ATOM 88 NE1 TRP A 6 -1.479 2.378 -8.759 1.00 33.24 N +ATOM 89 CE2 TRP A 6 -1.316 1.720 -9.949 1.00 24.12 C +ATOM 90 CE3 TRP A 6 -1.940 -0.398 -10.928 1.00 54.11 C +ATOM 91 CZ2 TRP A 6 -0.657 2.114 -11.110 1.00 63.34 C +ATOM 92 CZ3 TRP A 6 -1.286 -0.005 -12.080 1.00 74.43 C +ATOM 93 CH2 TRP A 6 -0.651 1.241 -12.164 1.00 71.32 C +ATOM 94 H TRP A 6 -6.170 0.090 -7.589 1.00 43.23 H +ATOM 95 HA TRP A 6 -4.495 -0.996 -9.699 1.00 75.42 H +ATOM 96 HB2 TRP A 6 -3.481 -0.515 -6.894 1.00 73.51 H +ATOM 97 HB3 TRP A 6 -2.712 -1.627 -8.024 1.00 13.12 H +ATOM 98 HD1 TRP A 6 -2.492 1.838 -6.896 1.00 62.15 H +ATOM 99 HE1 TRP A 6 -1.133 3.271 -8.548 1.00 31.53 H +ATOM 100 HE3 TRP A 6 -2.424 -1.362 -10.883 1.00 32.53 H +ATOM 101 HZ2 TRP A 6 -0.162 3.071 -11.190 1.00 62.45 H +ATOM 102 HZ3 TRP A 6 -1.259 -0.666 -12.935 1.00 13.51 H +ATOM 103 HH2 TRP A 6 -0.153 1.506 -13.084 1.00 23.32 H +ATOM 104 N GLN A 7 -5.676 -3.098 -9.136 1.00 75.03 N +ATOM 105 CA GLN A 7 -6.273 -4.393 -8.831 1.00 71.02 C +ATOM 106 C GLN A 7 -5.400 -5.531 -9.351 1.00 12.42 C +ATOM 107 O GLN A 7 -4.272 -5.310 -9.788 1.00 63.44 O +ATOM 108 CB GLN A 7 -7.673 -4.489 -9.440 1.00 60.53 C +ATOM 109 CG GLN A 7 -7.671 -4.587 -10.957 1.00 60.43 C +ATOM 110 CD GLN A 7 -9.052 -4.842 -11.528 1.00 14.35 C +ATOM 111 OE1 GLN A 7 -9.231 -5.700 -12.392 1.00 34.21 O +ATOM 112 NE2 GLN A 7 -10.039 -4.095 -11.045 1.00 41.14 N +ATOM 113 H GLN A 7 -5.583 -2.823 -10.072 1.00 22.43 H +ATOM 114 HA GLN A 7 -6.351 -4.477 -7.758 1.00 31.31 H +ATOM 115 HB2 GLN A 7 -8.165 -5.365 -9.045 1.00 32.41 H +ATOM 116 HB3 GLN A 7 -8.236 -3.612 -9.159 1.00 12.01 H +ATOM 117 HG2 GLN A 7 -7.296 -3.660 -11.365 1.00 23.42 H +ATOM 118 HG3 GLN A 7 -7.021 -5.398 -11.252 1.00 2.03 H +ATOM 119 HE21 GLN A 7 -9.822 -3.429 -10.359 1.00 22.44 H +ATOM 120 HE22 GLN A 7 -10.942 -4.237 -11.397 1.00 24.54 H +ATOM 121 N GLY A 8 -5.931 -6.749 -9.299 1.00 2.33 N +ATOM 122 CA GLY A 8 -5.186 -7.903 -9.767 1.00 10.12 C +ATOM 123 C GLY A 8 -4.753 -8.812 -8.634 1.00 33.13 C +ATOM 124 O GLY A 8 -4.970 -8.502 -7.461 1.00 72.15 O +ATOM 125 H GLY A 8 -6.835 -6.864 -8.940 1.00 34.45 H +ATOM 126 HA2 GLY A 8 -5.806 -8.465 -10.449 1.00 62.11 H +ATOM 127 HA3 GLY A 8 -4.307 -7.560 -10.293 1.00 73.44 H +ATOM 128 N LEU A 9 -4.141 -9.938 -8.982 1.00 72.41 N +ATOM 129 CA LEU A 9 -3.678 -10.897 -7.985 1.00 60.41 C +ATOM 130 C LEU A 9 -2.817 -10.212 -6.929 1.00 62.01 C +ATOM 131 O LEU A 9 -2.835 -10.590 -5.758 1.00 22.44 O +ATOM 132 CB LEU A 9 -2.884 -12.019 -8.658 1.00 12.23 C +ATOM 133 CG LEU A 9 -2.470 -13.182 -7.756 1.00 34.31 C +ATOM 134 CD1 LEU A 9 -3.668 -14.065 -7.439 1.00 40.54 C +ATOM 135 CD2 LEU A 9 -1.364 -13.997 -8.410 1.00 42.40 C +ATOM 136 H LEU A 9 -3.997 -10.131 -9.932 1.00 4.43 H +ATOM 137 HA LEU A 9 -4.547 -11.321 -7.504 1.00 50.01 H +ATOM 138 HB2 LEU A 9 -3.489 -12.419 -9.456 1.00 74.05 H +ATOM 139 HB3 LEU A 9 -1.986 -11.584 -9.072 1.00 64.21 H +ATOM 140 HG LEU A 9 -2.091 -12.789 -6.823 1.00 5.11 H +ATOM 141 HD11 LEU A 9 -4.210 -13.649 -6.604 1.00 14.21 H +ATOM 142 HD12 LEU A 9 -3.327 -15.058 -7.189 1.00 21.11 H +ATOM 143 HD13 LEU A 9 -4.316 -14.114 -8.302 1.00 15.11 H +ATOM 144 HD21 LEU A 9 -1.304 -14.966 -7.939 1.00 23.23 H +ATOM 145 HD22 LEU A 9 -0.422 -13.481 -8.295 1.00 1.21 H +ATOM 146 HD23 LEU A 9 -1.581 -14.119 -9.461 1.00 63.34 H +ATOM 147 N TYR A 10 -2.065 -9.201 -7.351 1.00 75.11 N +ATOM 148 CA TYR A 10 -1.197 -8.463 -6.442 1.00 12.41 C +ATOM 149 C TYR A 10 -1.308 -6.960 -6.683 1.00 33.25 C +ATOM 150 O TYR A 10 -1.918 -6.236 -5.895 1.00 34.52 O +ATOM 151 CB TYR A 10 0.255 -8.912 -6.613 1.00 10.34 C +ATOM 152 CG TYR A 10 0.588 -10.183 -5.865 1.00 15.03 C +ATOM 153 CD1 TYR A 10 0.405 -11.427 -6.455 1.00 62.44 C +ATOM 154 CD2 TYR A 10 1.083 -10.140 -4.567 1.00 70.14 C +ATOM 155 CE1 TYR A 10 0.707 -12.592 -5.776 1.00 10.21 C +ATOM 156 CE2 TYR A 10 1.389 -11.299 -3.881 1.00 32.11 C +ATOM 157 CZ TYR A 10 1.199 -12.522 -4.489 1.00 71.42 C +ATOM 158 OH TYR A 10 1.501 -13.679 -3.808 1.00 61.31 O +ATOM 159 H TYR A 10 -2.094 -8.946 -8.297 1.00 21.22 H +ATOM 160 HA TYR A 10 -1.514 -8.678 -5.432 1.00 71.40 H +ATOM 161 HB2 TYR A 10 0.451 -9.083 -7.660 1.00 0.23 H +ATOM 162 HB3 TYR A 10 0.910 -8.133 -6.251 1.00 43.32 H +ATOM 163 HD1 TYR A 10 0.020 -11.479 -7.464 1.00 13.45 H +ATOM 164 HD2 TYR A 10 1.230 -9.180 -4.094 1.00 21.12 H +ATOM 165 HE1 TYR A 10 0.559 -13.550 -6.252 1.00 13.02 H +ATOM 166 HE2 TYR A 10 1.774 -11.245 -2.873 1.00 74.02 H +ATOM 167 HH TYR A 10 0.775 -13.904 -3.222 1.00 32.13 H +ATOM 168 N CYS A 11 -0.714 -6.498 -7.778 1.00 15.55 N +ATOM 169 CA CYS A 11 -0.745 -5.082 -8.125 1.00 13.02 C +ATOM 170 C CYS A 11 -0.005 -4.827 -9.435 1.00 13.02 C +ATOM 171 O CYS A 11 1.196 -4.557 -9.439 1.00 12.32 O +ATOM 172 CB CYS A 11 -0.123 -4.247 -7.004 1.00 12.20 C +ATOM 173 SG CYS A 11 -1.315 -3.202 -6.106 1.00 31.22 S +ATOM 174 H CYS A 11 -0.243 -7.124 -8.367 1.00 52.12 H +ATOM 175 HA CYS A 11 -1.778 -4.792 -8.247 1.00 21.52 H +ATOM 176 HB2 CYS A 11 0.338 -4.909 -6.286 1.00 4.01 H +ATOM 177 HB3 CYS A 11 0.631 -3.599 -7.425 1.00 2.43 H +ATOM 178 N ASP A 12 -0.731 -4.915 -10.544 1.00 42.21 N +ATOM 179 CA ASP A 12 -0.144 -4.692 -11.861 1.00 34.43 C +ATOM 180 C ASP A 12 -1.228 -4.426 -12.900 1.00 55.14 C +ATOM 181 O ASP A 12 -1.218 -5.005 -13.987 1.00 32.33 O +ATOM 182 CB ASP A 12 0.695 -5.900 -12.279 1.00 61.43 C +ATOM 183 CG ASP A 12 1.637 -5.582 -13.424 1.00 74.42 C +ATOM 184 OD1 ASP A 12 1.614 -4.432 -13.909 1.00 51.34 O +ATOM 185 OD2 ASP A 12 2.397 -6.484 -13.834 1.00 51.15 O +ATOM 186 H ASP A 12 -1.684 -5.134 -10.476 1.00 1.31 H +ATOM 187 HA ASP A 12 0.496 -3.826 -11.797 1.00 12.35 H +ATOM 188 HB2 ASP A 12 1.283 -6.232 -11.436 1.00 4.43 H +ATOM 189 HB3 ASP A 12 0.036 -6.698 -12.589 1.00 65.31 H +ATOM 190 N LYS A 13 -2.164 -3.546 -12.560 1.00 30.01 N +ATOM 191 CA LYS A 13 -3.256 -3.202 -13.463 1.00 1.53 C +ATOM 192 C LYS A 13 -4.008 -1.972 -12.963 1.00 22.10 C +ATOM 193 O LYS A 13 -4.453 -1.928 -11.816 1.00 2.34 O +ATOM 194 CB LYS A 13 -4.221 -4.381 -13.602 1.00 51.12 C +ATOM 195 CG LYS A 13 -4.027 -5.178 -14.881 1.00 1.15 C +ATOM 196 CD LYS A 13 -5.332 -5.790 -15.360 1.00 34.22 C +ATOM 197 CE LYS A 13 -5.630 -7.099 -14.644 1.00 14.54 C +ATOM 198 NZ LYS A 13 -6.708 -7.870 -15.323 1.00 13.42 N +ATOM 199 H LYS A 13 -2.118 -3.117 -11.679 1.00 54.24 H +ATOM 200 HA LYS A 13 -2.830 -2.980 -14.429 1.00 42.24 H +ATOM 201 HB2 LYS A 13 -4.081 -5.046 -12.763 1.00 73.20 H +ATOM 202 HB3 LYS A 13 -5.234 -4.005 -13.588 1.00 31.13 H +ATOM 203 HG2 LYS A 13 -3.646 -4.522 -15.649 1.00 52.30 H +ATOM 204 HG3 LYS A 13 -3.315 -5.970 -14.696 1.00 1.25 H +ATOM 205 HD2 LYS A 13 -6.137 -5.097 -15.168 1.00 14.53 H +ATOM 206 HD3 LYS A 13 -5.263 -5.979 -16.422 1.00 1.22 H +ATOM 207 HE2 LYS A 13 -4.731 -7.695 -14.623 1.00 34.14 H +ATOM 208 HE3 LYS A 13 -5.940 -6.878 -13.633 1.00 4.34 H +ATOM 209 HZ1 LYS A 13 -6.546 -8.890 -15.205 1.00 54.02 H +ATOM 210 HZ2 LYS A 13 -6.721 -7.646 -16.339 1.00 13.05 H +ATOM 211 HZ3 LYS A 13 -7.633 -7.627 -14.914 1.00 51.43 H +ATOM 212 N CYS A 14 -4.147 -0.976 -13.831 1.00 75.14 N +ATOM 213 CA CYS A 14 -4.846 0.254 -13.479 1.00 74.12 C +ATOM 214 C CYS A 14 -6.297 0.210 -13.952 1.00 45.15 C +ATOM 215 O CYS A 14 -6.912 1.248 -14.196 1.00 12.42 O +ATOM 216 CB CYS A 14 -4.135 1.462 -14.091 1.00 11.52 C +ATOM 217 SG CYS A 14 -4.330 1.604 -15.897 1.00 3.45 S +ATOM 218 H CYS A 14 -3.771 -1.070 -14.732 1.00 63.22 H +ATOM 219 HA CYS A 14 -4.834 0.346 -12.404 1.00 14.31 H +ATOM 220 HB2 CYS A 14 -4.529 2.365 -13.647 1.00 13.11 H +ATOM 221 HB3 CYS A 14 -3.079 1.395 -13.878 1.00 24.42 H +ATOM 222 N ILE A 15 -6.835 -0.998 -14.080 1.00 51.22 N +ATOM 223 CA ILE A 15 -8.212 -1.177 -14.523 1.00 13.24 C +ATOM 224 C ILE A 15 -8.478 -0.415 -15.816 1.00 45.54 C +ATOM 225 O ILE A 15 -9.088 0.655 -15.822 1.00 61.32 O +ATOM 226 CB ILE A 15 -9.214 -0.709 -13.450 1.00 5.01 C +ATOM 227 CG1 ILE A 15 -8.633 -0.925 -12.051 1.00 35.53 C +ATOM 228 CG2 ILE A 15 -10.535 -1.447 -13.601 1.00 53.13 C +ATOM 229 CD1 ILE A 15 -9.590 -0.560 -10.937 1.00 5.30 C +ATOM 230 H ILE A 15 -6.294 -1.787 -13.871 1.00 63.22 H +ATOM 231 HA ILE A 15 -8.371 -2.231 -14.699 1.00 40.13 H +ATOM 232 HB ILE A 15 -9.398 0.344 -13.596 1.00 40.24 H +ATOM 233 HG12 ILE A 15 -8.371 -1.965 -11.933 1.00 42.14 H +ATOM 234 HG13 ILE A 15 -7.746 -0.319 -11.940 1.00 22.44 H +ATOM 235 HG21 ILE A 15 -10.534 -2.322 -12.968 1.00 4.32 H +ATOM 236 HG22 ILE A 15 -11.346 -0.795 -13.312 1.00 20.45 H +ATOM 237 HG23 ILE A 15 -10.664 -1.748 -14.630 1.00 53.40 H +ATOM 238 HD11 ILE A 15 -9.028 -0.220 -10.078 1.00 73.21 H +ATOM 239 HD12 ILE A 15 -10.247 0.230 -11.271 1.00 23.32 H +ATOM 240 HD13 ILE A 15 -10.174 -1.425 -10.665 1.00 32.32 H +ATOM 241 N PRO A 16 -8.010 -0.977 -16.941 1.00 10.22 N +ATOM 242 CA PRO A 16 -8.187 -0.368 -18.263 1.00 23.42 C +ATOM 243 C PRO A 16 -9.638 -0.408 -18.730 1.00 2.11 C +ATOM 244 O PRO A 16 -10.050 0.388 -19.575 1.00 35.45 O +ATOM 245 CB PRO A 16 -7.309 -1.233 -19.171 1.00 42.33 C +ATOM 246 CG PRO A 16 -7.232 -2.551 -18.481 1.00 41.21 C +ATOM 247 CD PRO A 16 -7.273 -2.250 -17.008 1.00 75.14 C +ATOM 248 HA PRO A 16 -7.832 0.652 -18.281 1.00 24.43 H +ATOM 249 HB2 PRO A 16 -7.771 -1.322 -20.144 1.00 53.33 H +ATOM 250 HB3 PRO A 16 -6.333 -0.782 -19.270 1.00 50.42 H +ATOM 251 HG2 PRO A 16 -8.075 -3.163 -18.763 1.00 11.30 H +ATOM 252 HG3 PRO A 16 -6.306 -3.045 -18.736 1.00 40.33 H +ATOM 253 HD2 PRO A 16 -7.801 -3.029 -16.479 1.00 32.51 H +ATOM 254 HD3 PRO A 16 -6.273 -2.137 -16.618 1.00 2.01 H +ATOM 255 N HIS A 17 -10.408 -1.338 -18.175 1.00 32.21 N +ATOM 256 CA HIS A 17 -11.815 -1.480 -18.534 1.00 63.24 C +ATOM 257 C HIS A 17 -12.524 -0.130 -18.497 1.00 31.03 C +ATOM 258 O HIS A 17 -13.009 0.372 -19.511 1.00 2.42 O +ATOM 259 CB HIS A 17 -12.508 -2.461 -17.588 1.00 53.41 C +ATOM 260 CG HIS A 17 -12.757 -3.806 -18.197 1.00 33.12 C +ATOM 261 ND1 HIS A 17 -13.830 -4.601 -17.852 1.00 71.14 N +ATOM 262 CD2 HIS A 17 -12.066 -4.495 -19.134 1.00 62.52 C +ATOM 263 CE1 HIS A 17 -13.787 -5.722 -18.550 1.00 43.12 C +ATOM 264 NE2 HIS A 17 -12.726 -5.683 -19.336 1.00 42.31 N +ATOM 265 H HIS A 17 -10.022 -1.943 -17.508 1.00 2.22 H +ATOM 266 HA HIS A 17 -11.862 -1.870 -19.540 1.00 52.40 H +ATOM 267 HB2 HIS A 17 -11.892 -2.602 -16.712 1.00 72.13 H +ATOM 268 HB3 HIS A 17 -13.462 -2.049 -17.289 1.00 64.11 H +ATOM 269 HD1 HIS A 17 -14.519 -4.378 -17.193 1.00 55.33 H +ATOM 270 HD2 HIS A 17 -11.162 -4.173 -19.632 1.00 2.45 H +ATOM 271 HE1 HIS A 17 -14.497 -6.532 -18.490 1.00 34.53 H +ATOM 272 N PRO A 18 -12.588 0.472 -17.300 1.00 12.21 N +ATOM 273 CA PRO A 18 -13.237 1.772 -17.101 1.00 63.23 C +ATOM 274 C PRO A 18 -12.456 2.913 -17.743 1.00 42.44 C +ATOM 275 O PRO A 18 -11.681 3.599 -17.078 1.00 42.43 O +ATOM 276 CB PRO A 18 -13.258 1.929 -15.579 1.00 33.52 C +ATOM 277 CG PRO A 18 -12.125 1.091 -15.096 1.00 32.44 C +ATOM 278 CD PRO A 18 -12.032 -0.069 -16.048 1.00 50.04 C +ATOM 279 HA PRO A 18 -14.249 1.772 -17.479 1.00 44.13 H +ATOM 280 HB2 PRO A 18 -13.120 2.969 -15.320 1.00 31.24 H +ATOM 281 HB3 PRO A 18 -14.202 1.577 -15.190 1.00 54.35 H +ATOM 282 HG2 PRO A 18 -11.211 1.664 -15.112 1.00 51.24 H +ATOM 283 HG3 PRO A 18 -12.330 0.738 -14.096 1.00 34.13 H +ATOM 284 HD2 PRO A 18 -11.002 -0.367 -16.181 1.00 14.31 H +ATOM 285 HD3 PRO A 18 -12.624 -0.899 -15.692 1.00 22.15 H +ATOM 286 N GLY A 19 -12.666 3.112 -19.041 1.00 62.23 N +ATOM 287 CA GLY A 19 -11.974 4.172 -19.751 1.00 72.11 C +ATOM 288 C GLY A 19 -11.326 3.685 -21.032 1.00 52.20 C +ATOM 289 O GLY A 19 -11.003 4.481 -21.914 1.00 63.14 O +ATOM 290 H GLY A 19 -13.295 2.533 -19.521 1.00 15.43 H +ATOM 291 HA2 GLY A 19 -12.682 4.951 -19.991 1.00 74.25 H +ATOM 292 HA3 GLY A 19 -11.209 4.581 -19.107 1.00 73.14 H +ATOM 293 N CYS A 20 -11.134 2.374 -21.135 1.00 1.41 N +ATOM 294 CA CYS A 20 -10.518 1.782 -22.316 1.00 31.30 C +ATOM 295 C CYS A 20 -11.060 0.377 -22.565 1.00 23.01 C +ATOM 296 O CYS A 20 -11.910 -0.113 -21.821 1.00 64.44 O +ATOM 297 CB CYS A 20 -8.998 1.733 -22.154 1.00 25.43 C +ATOM 298 SG CYS A 20 -8.113 3.066 -23.025 1.00 14.14 S +ATOM 299 H CYS A 20 -11.413 1.790 -20.398 1.00 10.52 H +ATOM 300 HA CYS A 20 -10.761 2.403 -23.164 1.00 41.33 H +ATOM 301 HB2 CYS A 20 -8.753 1.808 -21.104 1.00 43.01 H +ATOM 302 HB3 CYS A 20 -8.633 0.791 -22.536 1.00 64.12 H +ATOM 303 N VAL A 21 -10.561 -0.266 -23.616 1.00 52.23 N +ATOM 304 CA VAL A 21 -10.993 -1.614 -23.963 1.00 72.42 C +ATOM 305 C VAL A 21 -9.822 -2.590 -23.938 1.00 32.34 C +ATOM 306 O VAL A 21 -9.919 -3.678 -23.369 1.00 20.31 O +ATOM 307 CB VAL A 21 -11.649 -1.653 -25.356 1.00 43.35 C +ATOM 308 CG1 VAL A 21 -12.245 -3.025 -25.629 1.00 32.34 C +ATOM 309 CG2 VAL A 21 -12.709 -0.568 -25.476 1.00 21.40 C +ATOM 310 H VAL A 21 -9.886 0.177 -24.171 1.00 51.44 H +ATOM 311 HA VAL A 21 -11.727 -1.928 -23.235 1.00 3.14 H +ATOM 312 HB VAL A 21 -10.885 -1.463 -26.097 1.00 32.43 H +ATOM 313 HG11 VAL A 21 -13.201 -3.107 -25.132 1.00 1.02 H +ATOM 314 HG12 VAL A 21 -12.379 -3.156 -26.693 1.00 3.35 H +ATOM 315 HG13 VAL A 21 -11.579 -3.788 -25.253 1.00 1.12 H +ATOM 316 HG21 VAL A 21 -13.136 -0.589 -26.468 1.00 25.13 H +ATOM 317 HG22 VAL A 21 -13.485 -0.743 -24.746 1.00 11.12 H +ATOM 318 HG23 VAL A 21 -12.258 0.397 -25.298 1.00 54.53 H +ATOM 319 N HIS A 22 -8.715 -2.194 -24.557 1.00 41.11 N +ATOM 320 CA HIS A 22 -7.523 -3.033 -24.605 1.00 31.45 C +ATOM 321 C HIS A 22 -6.258 -2.186 -24.513 1.00 24.11 C +ATOM 322 O HIS A 22 -6.322 -0.958 -24.487 1.00 44.24 O +ATOM 323 CB HIS A 22 -7.506 -3.859 -25.891 1.00 70.03 C +ATOM 324 CG HIS A 22 -8.756 -4.655 -26.109 1.00 51.20 C +ATOM 325 ND1 HIS A 22 -9.131 -5.704 -25.297 1.00 32.11 N +ATOM 326 CD2 HIS A 22 -9.720 -4.549 -27.053 1.00 50.53 C +ATOM 327 CE1 HIS A 22 -10.271 -6.210 -25.733 1.00 61.02 C +ATOM 328 NE2 HIS A 22 -10.650 -5.526 -26.798 1.00 22.31 N +ATOM 329 H HIS A 22 -8.699 -1.316 -24.992 1.00 20.10 H +ATOM 330 HA HIS A 22 -7.555 -3.703 -23.758 1.00 51.33 H +ATOM 331 HB2 HIS A 22 -7.384 -3.196 -26.735 1.00 55.21 H +ATOM 332 HB3 HIS A 22 -6.674 -4.548 -25.858 1.00 74.24 H +ATOM 333 HD1 HIS A 22 -8.635 -6.031 -24.518 1.00 10.51 H +ATOM 334 HD2 HIS A 22 -9.753 -3.829 -27.859 1.00 45.42 H +ATOM 335 HE1 HIS A 22 -10.803 -7.041 -25.294 1.00 51.35 H +ATOM 336 N GLY A 23 -5.108 -2.852 -24.463 1.00 4.30 N +ATOM 337 CA GLY A 23 -3.844 -2.144 -24.374 1.00 0.43 C +ATOM 338 C GLY A 23 -3.155 -2.353 -23.040 1.00 63.51 C +ATOM 339 O GLY A 23 -3.237 -3.434 -22.455 1.00 0.32 O +ATOM 340 H GLY A 23 -5.117 -3.832 -24.487 1.00 14.52 H +ATOM 341 HA2 GLY A 23 -3.193 -2.490 -25.162 1.00 60.43 H +ATOM 342 HA3 GLY A 23 -4.026 -1.088 -24.509 1.00 40.52 H +ATOM 343 N ILE A 24 -2.472 -1.320 -22.560 1.00 12.35 N +ATOM 344 CA ILE A 24 -1.766 -1.397 -21.287 1.00 45.30 C +ATOM 345 C ILE A 24 -1.767 -0.048 -20.575 1.00 34.32 C +ATOM 346 O ILE A 24 -2.416 0.900 -21.018 1.00 71.33 O +ATOM 347 CB ILE A 24 -0.310 -1.861 -21.479 1.00 23.33 C +ATOM 348 CG1 ILE A 24 0.493 -0.799 -22.233 1.00 14.22 C +ATOM 349 CG2 ILE A 24 -0.271 -3.188 -22.221 1.00 62.54 C +ATOM 350 CD1 ILE A 24 1.649 -0.237 -21.436 1.00 43.14 C +ATOM 351 H ILE A 24 -2.444 -0.485 -23.072 1.00 61.54 H +ATOM 352 HA ILE A 24 -2.275 -2.120 -20.667 1.00 24.24 H +ATOM 353 HB ILE A 24 0.129 -2.009 -20.504 1.00 11.22 H +ATOM 354 HG12 ILE A 24 0.892 -1.232 -23.136 1.00 60.01 H +ATOM 355 HG13 ILE A 24 -0.163 0.021 -22.491 1.00 21.53 H +ATOM 356 HG21 ILE A 24 0.727 -3.598 -22.174 1.00 23.31 H +ATOM 357 HG22 ILE A 24 -0.964 -3.878 -21.763 1.00 0.51 H +ATOM 358 HG23 ILE A 24 -0.547 -3.032 -23.253 1.00 71.22 H +ATOM 359 HD11 ILE A 24 1.793 0.802 -21.696 1.00 5.33 H +ATOM 360 HD12 ILE A 24 1.433 -0.316 -20.381 1.00 71.53 H +ATOM 361 HD13 ILE A 24 2.547 -0.792 -21.664 1.00 11.32 H +ATOM 362 N CYS A 25 -1.036 0.031 -19.468 1.00 44.25 N +ATOM 363 CA CYS A 25 -0.951 1.264 -18.694 1.00 63.52 C +ATOM 364 C CYS A 25 0.061 1.125 -17.560 1.00 63.14 C +ATOM 365 O CYS A 25 0.288 0.030 -17.047 1.00 73.04 O +ATOM 366 CB CYS A 25 -2.323 1.629 -18.126 1.00 32.15 C +ATOM 367 SG CYS A 25 -2.881 0.543 -16.773 1.00 43.30 S +ATOM 368 H CYS A 25 -0.540 -0.759 -19.165 1.00 12.04 H +ATOM 369 HA CYS A 25 -0.624 2.050 -19.357 1.00 53.31 H +ATOM 370 HB2 CYS A 25 -2.288 2.638 -17.742 1.00 54.42 H +ATOM 371 HB3 CYS A 25 -3.058 1.575 -18.915 1.00 63.44 H +ATOM 372 N ASN A 26 0.666 2.244 -17.175 1.00 25.42 N +ATOM 373 CA ASN A 26 1.655 2.247 -16.102 1.00 55.41 C +ATOM 374 C ASN A 26 1.172 3.084 -14.921 1.00 40.00 C +ATOM 375 O ASN A 26 1.576 2.856 -13.781 1.00 53.52 O +ATOM 376 CB ASN A 26 2.991 2.789 -16.613 1.00 51.43 C +ATOM 377 CG ASN A 26 4.077 2.742 -15.556 1.00 32.32 C +ATOM 378 OD1 ASN A 26 4.430 1.671 -15.061 1.00 44.22 O +ATOM 379 ND2 ASN A 26 4.611 3.905 -15.204 1.00 2.21 N +ATOM 380 H ASN A 26 0.444 3.087 -17.622 1.00 71.42 H +ATOM 381 HA ASN A 26 1.791 1.228 -15.774 1.00 45.02 H +ATOM 382 HB2 ASN A 26 3.312 2.198 -17.459 1.00 5.35 H +ATOM 383 HB3 ASN A 26 2.862 3.815 -16.925 1.00 34.02 H +ATOM 384 HD21 ASN A 26 4.280 4.718 -15.640 1.00 11.10 H +ATOM 385 HD22 ASN A 26 5.316 3.903 -14.523 1.00 12.32 H +ATOM 386 N GLU A 27 0.306 4.052 -15.203 1.00 54.02 N +ATOM 387 CA GLU A 27 -0.231 4.922 -14.164 1.00 15.42 C +ATOM 388 C GLU A 27 -1.703 4.613 -13.902 1.00 3.31 C +ATOM 389 O GLU A 27 -2.392 4.007 -14.723 1.00 5.21 O +ATOM 390 CB GLU A 27 -0.071 6.391 -14.564 1.00 21.43 C +ATOM 391 CG GLU A 27 1.146 7.060 -13.947 1.00 34.14 C +ATOM 392 CD GLU A 27 1.278 8.515 -14.350 1.00 43.55 C +ATOM 393 OE1 GLU A 27 0.332 9.290 -14.099 1.00 2.35 O +ATOM 394 OE2 GLU A 27 2.329 8.879 -14.919 1.00 4.44 O +ATOM 395 H GLU A 27 0.022 4.184 -16.132 1.00 14.23 H +ATOM 396 HA GLU A 27 0.328 4.742 -13.259 1.00 3.44 H +ATOM 397 HB2 GLU A 27 0.017 6.451 -15.639 1.00 14.05 H +ATOM 398 HB3 GLU A 27 -0.951 6.934 -14.252 1.00 61.23 H +ATOM 399 HG2 GLU A 27 1.063 7.007 -12.871 1.00 62.04 H +ATOM 400 HG3 GLU A 27 2.032 6.531 -14.265 1.00 31.01 H +ATOM 401 N PRO A 28 -2.197 5.039 -12.730 1.00 23.23 N +ATOM 402 CA PRO A 28 -3.590 4.819 -12.331 1.00 52.24 C +ATOM 403 C PRO A 28 -4.567 5.650 -13.156 1.00 42.44 C +ATOM 404 O PRO A 28 -4.402 6.863 -13.294 1.00 35.35 O +ATOM 405 CB PRO A 28 -3.615 5.263 -10.867 1.00 3.13 C +ATOM 406 CG PRO A 28 -2.494 6.238 -10.748 1.00 34.14 C +ATOM 407 CD PRO A 28 -1.433 5.768 -11.703 1.00 61.41 C +ATOM 408 HA PRO A 28 -3.862 3.776 -12.398 1.00 31.23 H +ATOM 409 HB2 PRO A 28 -4.566 5.725 -10.644 1.00 35.43 H +ATOM 410 HB3 PRO A 28 -3.464 4.408 -10.225 1.00 43.20 H +ATOM 411 HG2 PRO A 28 -2.835 7.225 -11.022 1.00 34.42 H +ATOM 412 HG3 PRO A 28 -2.115 6.238 -9.737 1.00 5.14 H +ATOM 413 HD2 PRO A 28 -0.913 6.610 -12.135 1.00 14.34 H +ATOM 414 HD3 PRO A 28 -0.738 5.110 -11.201 1.00 51.24 H +ATOM 415 N TRP A 29 -5.582 4.992 -13.703 1.00 32.43 N +ATOM 416 CA TRP A 29 -6.586 5.671 -14.514 1.00 43.12 C +ATOM 417 C TRP A 29 -5.949 6.318 -15.739 1.00 64.53 C +ATOM 418 O TRP A 29 -5.867 7.542 -15.833 1.00 74.14 O +ATOM 419 CB TRP A 29 -7.312 6.730 -13.683 1.00 1.00 C +ATOM 420 CG TRP A 29 -7.753 6.231 -12.340 1.00 43.50 C +ATOM 421 CD1 TRP A 29 -7.559 6.844 -11.135 1.00 33.44 C +ATOM 422 CD2 TRP A 29 -8.459 5.017 -12.067 1.00 33.34 C +ATOM 423 NE1 TRP A 29 -8.103 6.082 -10.128 1.00 51.32 N +ATOM 424 CE2 TRP A 29 -8.662 4.957 -10.674 1.00 1.12 C +ATOM 425 CE3 TRP A 29 -8.942 3.975 -12.863 1.00 34.45 C +ATOM 426 CZ2 TRP A 29 -9.325 3.896 -10.063 1.00 51.02 C +ATOM 427 CZ3 TRP A 29 -9.600 2.922 -12.255 1.00 11.21 C +ATOM 428 CH2 TRP A 29 -9.787 2.889 -10.867 1.00 14.44 C +ATOM 429 H TRP A 29 -5.659 4.025 -13.557 1.00 53.23 H +ATOM 430 HA TRP A 29 -7.301 4.932 -14.843 1.00 31.42 H +ATOM 431 HB2 TRP A 29 -6.652 7.570 -13.526 1.00 55.54 H +ATOM 432 HB3 TRP A 29 -8.189 7.060 -14.221 1.00 44.32 H +ATOM 433 HD1 TRP A 29 -7.050 7.786 -11.006 1.00 40.44 H +ATOM 434 HE1 TRP A 29 -8.093 6.310 -9.175 1.00 35.24 H +ATOM 435 HE3 TRP A 29 -8.808 3.982 -13.934 1.00 61.12 H +ATOM 436 HZ2 TRP A 29 -9.478 3.857 -8.994 1.00 60.55 H +ATOM 437 HZ3 TRP A 29 -9.980 2.107 -12.854 1.00 10.51 H +ATOM 438 HH2 TRP A 29 -10.307 2.048 -10.435 1.00 64.31 H +ATOM 439 N GLN A 30 -5.499 5.487 -16.675 1.00 2.33 N +ATOM 440 CA GLN A 30 -4.868 5.980 -17.894 1.00 15.24 C +ATOM 441 C GLN A 30 -5.163 5.056 -19.071 1.00 14.42 C +ATOM 442 O GLN A 30 -5.773 3.999 -18.906 1.00 65.13 O +ATOM 443 CB GLN A 30 -3.357 6.107 -17.696 1.00 0.11 C +ATOM 444 CG GLN A 30 -2.887 7.539 -17.499 1.00 14.50 C +ATOM 445 CD GLN A 30 -1.640 7.860 -18.298 1.00 63.33 C +ATOM 446 OE1 GLN A 30 -0.523 7.556 -17.877 1.00 33.32 O +ATOM 447 NE2 GLN A 30 -1.823 8.477 -19.460 1.00 25.22 N +ATOM 448 H GLN A 30 -5.593 4.522 -16.542 1.00 25.42 H +ATOM 449 HA GLN A 30 -5.277 6.956 -18.107 1.00 15.01 H +ATOM 450 HB2 GLN A 30 -3.070 5.534 -16.827 1.00 11.00 H +ATOM 451 HB3 GLN A 30 -2.857 5.704 -18.564 1.00 72.13 H +ATOM 452 HG2 GLN A 30 -3.676 8.209 -17.809 1.00 1.33 H +ATOM 453 HG3 GLN A 30 -2.676 7.694 -16.451 1.00 41.22 H +ATOM 454 HE21 GLN A 30 -2.741 8.689 -19.731 1.00 44.11 H +ATOM 455 HE22 GLN A 30 -1.034 8.696 -19.996 1.00 43.55 H +ATOM 456 N CYS A 31 -4.728 5.462 -20.259 1.00 1.43 N +ATOM 457 CA CYS A 31 -4.945 4.672 -21.464 1.00 55.45 C +ATOM 458 C CYS A 31 -3.711 4.698 -22.362 1.00 15.32 C +ATOM 459 O CYS A 31 -3.317 5.752 -22.864 1.00 75.33 O +ATOM 460 CB CYS A 31 -6.159 5.199 -22.233 1.00 13.25 C +ATOM 461 SG CYS A 31 -7.752 4.527 -21.658 1.00 21.02 S +ATOM 462 H CYS A 31 -4.248 6.315 -20.327 1.00 12.45 H +ATOM 463 HA CYS A 31 -5.135 3.653 -21.164 1.00 12.32 H +ATOM 464 HB2 CYS A 31 -6.201 6.274 -22.131 1.00 33.15 H +ATOM 465 HB3 CYS A 31 -6.053 4.946 -23.277 1.00 25.11 H +ATOM 466 N LEU A 32 -3.106 3.533 -22.559 1.00 22.40 N +ATOM 467 CA LEU A 32 -1.916 3.420 -23.396 1.00 54.31 C +ATOM 468 C LEU A 32 -2.092 2.331 -24.449 1.00 75.02 C +ATOM 469 O LEU A 32 -2.210 1.150 -24.122 1.00 73.42 O +ATOM 470 CB LEU A 32 -0.689 3.119 -22.535 1.00 2.05 C +ATOM 471 CG LEU A 32 -0.425 4.087 -21.380 1.00 71.42 C +ATOM 472 CD1 LEU A 32 0.877 3.736 -20.677 1.00 12.03 C +ATOM 473 CD2 LEU A 32 -0.391 5.522 -21.885 1.00 32.14 C +ATOM 474 H LEU A 32 -3.466 2.728 -22.132 1.00 71.12 H +ATOM 475 HA LEU A 32 -1.772 4.367 -23.895 1.00 72.14 H +ATOM 476 HB2 LEU A 32 -0.813 2.132 -22.116 1.00 63.15 H +ATOM 477 HB3 LEU A 32 0.178 3.129 -23.180 1.00 72.43 H +ATOM 478 HG LEU A 32 -1.226 4.003 -20.659 1.00 15.51 H +ATOM 479 HD11 LEU A 32 0.845 4.098 -19.660 1.00 45.24 H +ATOM 480 HD12 LEU A 32 1.703 4.197 -21.198 1.00 31.31 H +ATOM 481 HD13 LEU A 32 1.007 2.664 -20.674 1.00 33.43 H +ATOM 482 HD21 LEU A 32 0.511 6.003 -21.539 1.00 45.54 H +ATOM 483 HD22 LEU A 32 -1.251 6.056 -21.508 1.00 32.30 H +ATOM 484 HD23 LEU A 32 -0.411 5.524 -22.965 1.00 10.30 H +ATOM 485 N CYS A 33 -2.107 2.736 -25.715 1.00 34.42 N +ATOM 486 CA CYS A 33 -2.267 1.795 -26.817 1.00 71.10 C +ATOM 487 C CYS A 33 -1.322 2.137 -27.965 1.00 52.34 C +ATOM 488 O CYS A 33 -0.515 3.061 -27.864 1.00 34.34 O +ATOM 489 CB CYS A 33 -3.714 1.800 -27.314 1.00 31.01 C +ATOM 490 SG CYS A 33 -4.308 3.434 -27.857 1.00 50.21 S +ATOM 491 H CYS A 33 -2.009 3.691 -25.913 1.00 0.32 H +ATOM 492 HA CYS A 33 -2.025 0.809 -26.450 1.00 11.21 H +ATOM 493 HB2 CYS A 33 -3.801 1.124 -28.152 1.00 41.45 H +ATOM 494 HB3 CYS A 33 -4.361 1.462 -26.518 1.00 11.31 H +ATOM 495 N GLU A 34 -1.430 1.386 -29.057 1.00 2.01 N +ATOM 496 CA GLU A 34 -0.585 1.610 -30.224 1.00 4.01 C +ATOM 497 C GLU A 34 -1.155 2.718 -31.104 1.00 41.41 C +ATOM 498 O GLU A 34 -2.183 3.315 -30.783 1.00 52.44 O +ATOM 499 CB GLU A 34 -0.445 0.320 -31.035 1.00 50.33 C +ATOM 500 CG GLU A 34 0.975 -0.217 -31.085 1.00 45.33 C +ATOM 501 CD GLU A 34 1.073 -1.654 -30.611 1.00 52.15 C +ATOM 502 OE1 GLU A 34 0.657 -1.930 -29.467 1.00 12.13 O +ATOM 503 OE2 GLU A 34 1.565 -2.502 -31.385 1.00 31.04 O +ATOM 504 H GLU A 34 -2.092 0.664 -29.078 1.00 13.44 H +ATOM 505 HA GLU A 34 0.391 1.911 -29.874 1.00 1.22 H +ATOM 506 HB2 GLU A 34 -1.079 -0.437 -30.598 1.00 13.42 H +ATOM 507 HB3 GLU A 34 -0.772 0.509 -32.047 1.00 44.43 H +ATOM 508 HG2 GLU A 34 1.331 -0.165 -32.104 1.00 12.15 H +ATOM 509 HG3 GLU A 34 1.601 0.398 -30.455 1.00 64.12 H +ATOM 510 N THR A 35 -0.479 2.990 -32.216 1.00 71.45 N +ATOM 511 CA THR A 35 -0.916 4.027 -33.143 1.00 31.44 C +ATOM 512 C THR A 35 -2.072 3.539 -34.009 1.00 24.31 C +ATOM 513 O THR A 35 -2.955 4.313 -34.375 1.00 63.13 O +ATOM 514 CB THR A 35 0.236 4.486 -34.055 1.00 43.44 C +ATOM 515 OG1 THR A 35 1.375 4.844 -33.264 1.00 61.03 O +ATOM 516 CG2 THR A 35 -0.189 5.673 -34.907 1.00 44.12 C +ATOM 517 H THR A 35 0.333 2.479 -32.417 1.00 41.43 H +ATOM 518 HA THR A 35 -1.248 4.875 -32.561 1.00 65.24 H +ATOM 519 HB THR A 35 0.504 3.670 -34.710 1.00 65.33 H +ATOM 520 HG1 THR A 35 2.148 4.371 -33.583 1.00 35.42 H +ATOM 521 HG21 THR A 35 -1.180 5.987 -34.617 1.00 41.03 H +ATOM 522 HG22 THR A 35 -0.192 5.386 -35.948 1.00 74.03 H +ATOM 523 HG23 THR A 35 0.505 6.488 -34.761 1.00 33.14 H +ATOM 524 N ASN A 36 -2.059 2.250 -34.332 1.00 74.34 N +ATOM 525 CA ASN A 36 -3.108 1.659 -35.156 1.00 63.52 C +ATOM 526 C ASN A 36 -4.479 1.861 -34.519 1.00 52.25 C +ATOM 527 O ASN A 36 -5.485 1.993 -35.217 1.00 10.11 O +ATOM 528 CB ASN A 36 -2.843 0.165 -35.361 1.00 15.44 C +ATOM 529 CG ASN A 36 -3.203 -0.299 -36.759 1.00 24.33 C +ATOM 530 OD1 ASN A 36 -4.040 -1.184 -36.935 1.00 20.53 O +ATOM 531 ND2 ASN A 36 -2.569 0.297 -37.761 1.00 43.44 N +ATOM 532 H ASN A 36 -1.328 1.682 -34.010 1.00 52.41 H +ATOM 533 HA ASN A 36 -3.093 2.152 -36.116 1.00 43.31 H +ATOM 534 HB2 ASN A 36 -1.795 -0.034 -35.194 1.00 62.42 H +ATOM 535 HB3 ASN A 36 -3.430 -0.399 -34.651 1.00 52.33 H +ATOM 536 HD21 ASN A 36 -1.914 0.994 -37.546 1.00 41.43 H +ATOM 537 HD22 ASN A 36 -2.782 0.017 -38.676 1.00 32.22 H +ATOM 538 N TRP A 37 -4.511 1.885 -33.192 1.00 51.31 N +ATOM 539 CA TRP A 37 -5.759 2.073 -32.461 1.00 32.40 C +ATOM 540 C TRP A 37 -6.172 3.540 -32.456 1.00 53.22 C +ATOM 541 O TRP A 37 -5.361 4.422 -32.179 1.00 2.31 O +ATOM 542 CB TRP A 37 -5.614 1.566 -31.025 1.00 1.20 C +ATOM 543 CG TRP A 37 -5.180 0.134 -30.941 1.00 71.02 C +ATOM 544 CD1 TRP A 37 -3.935 -0.362 -31.205 1.00 32.03 C +ATOM 545 CD2 TRP A 37 -5.990 -0.987 -30.571 1.00 15.44 C +ATOM 546 NE1 TRP A 37 -3.923 -1.724 -31.020 1.00 40.41 N +ATOM 547 CE2 TRP A 37 -5.171 -2.131 -30.630 1.00 53.02 C +ATOM 548 CE3 TRP A 37 -7.328 -1.135 -30.192 1.00 45.52 C +ATOM 549 CZ2 TRP A 37 -5.648 -3.404 -30.327 1.00 4.43 C +ATOM 550 CZ3 TRP A 37 -7.799 -2.398 -29.892 1.00 22.34 C +ATOM 551 CH2 TRP A 37 -6.961 -3.519 -29.959 1.00 63.23 C +ATOM 552 H TRP A 37 -3.676 1.775 -32.691 1.00 64.52 H +ATOM 553 HA TRP A 37 -6.524 1.497 -32.960 1.00 74.24 H +ATOM 554 HB2 TRP A 37 -4.880 2.167 -30.510 1.00 44.43 H +ATOM 555 HB3 TRP A 37 -6.565 1.657 -30.521 1.00 54.13 H +ATOM 556 HD1 TRP A 37 -3.094 0.239 -31.514 1.00 11.42 H +ATOM 557 HE1 TRP A 37 -3.145 -2.308 -31.146 1.00 15.52 H +ATOM 558 HE3 TRP A 37 -7.989 -0.283 -30.134 1.00 50.31 H +ATOM 559 HZ2 TRP A 37 -5.014 -4.277 -30.374 1.00 30.34 H +ATOM 560 HZ3 TRP A 37 -8.830 -2.532 -29.598 1.00 24.13 H +ATOM 561 HH2 TRP A 37 -7.371 -4.487 -29.716 1.00 55.21 H +ATOM 562 N GLY A 38 -7.440 3.795 -32.765 1.00 73.00 N +ATOM 563 CA GLY A 38 -7.938 5.158 -32.790 1.00 72.21 C +ATOM 564 C GLY A 38 -8.842 5.467 -31.613 1.00 70.40 C +ATOM 565 O GLY A 38 -9.629 4.622 -31.187 1.00 5.01 O +ATOM 566 H GLY A 38 -8.042 3.051 -32.978 1.00 14.34 H +ATOM 567 HA2 GLY A 38 -7.099 5.837 -32.774 1.00 23.41 H +ATOM 568 HA3 GLY A 38 -8.493 5.309 -33.704 1.00 52.34 H +ATOM 569 N GLY A 39 -8.729 6.681 -31.084 1.00 43.43 N +ATOM 570 CA GLY A 39 -9.547 7.077 -29.953 1.00 1.30 C +ATOM 571 C GLY A 39 -8.855 6.838 -28.625 1.00 74.05 C +ATOM 572 O GLY A 39 -7.906 6.059 -28.545 1.00 71.02 O +ATOM 573 H GLY A 39 -8.084 7.314 -31.466 1.00 33.14 H +ATOM 574 HA2 GLY A 39 -9.780 8.128 -30.041 1.00 72.24 H +ATOM 575 HA3 GLY A 39 -10.467 6.512 -29.973 1.00 61.43 H +ATOM 576 N GLN A 40 -9.331 7.511 -27.582 1.00 71.45 N +ATOM 577 CA GLN A 40 -8.750 7.368 -26.253 1.00 1.32 C +ATOM 578 C GLN A 40 -8.982 5.964 -25.705 1.00 3.02 C +ATOM 579 O GLN A 40 -8.089 5.366 -25.103 1.00 20.14 O +ATOM 580 CB GLN A 40 -9.345 8.405 -25.299 1.00 54.52 C +ATOM 581 CG GLN A 40 -8.634 9.748 -25.340 1.00 13.43 C +ATOM 582 CD GLN A 40 -9.189 10.671 -26.407 1.00 71.43 C +ATOM 583 OE1 GLN A 40 -8.918 10.498 -27.596 1.00 25.52 O +ATOM 584 NE2 GLN A 40 -9.972 11.658 -25.989 1.00 2.15 N +ATOM 585 H GLN A 40 -10.090 8.117 -27.710 1.00 62.42 H +ATOM 586 HA GLN A 40 -7.687 7.538 -26.336 1.00 31.31 H +ATOM 587 HB2 GLN A 40 -10.382 8.563 -25.559 1.00 24.21 H +ATOM 588 HB3 GLN A 40 -9.289 8.024 -24.290 1.00 73.55 H +ATOM 589 HG2 GLN A 40 -8.744 10.229 -24.379 1.00 32.12 H +ATOM 590 HG3 GLN A 40 -7.586 9.580 -25.539 1.00 12.01 H +ATOM 591 HE21 GLN A 40 -10.144 11.736 -25.026 1.00 64.52 H +ATOM 592 HE22 GLN A 40 -10.343 12.270 -26.657 1.00 34.51 H +ATOM 593 N LEU A 41 -10.185 5.443 -25.917 1.00 12.04 N +ATOM 594 CA LEU A 41 -10.535 4.108 -25.444 1.00 11.15 C +ATOM 595 C LEU A 41 -9.682 3.046 -26.129 1.00 44.24 C +ATOM 596 O LEU A 41 -9.465 1.962 -25.586 1.00 42.54 O +ATOM 597 CB LEU A 41 -12.018 3.828 -25.696 1.00 4.50 C +ATOM 598 CG LEU A 41 -12.978 4.979 -25.395 1.00 15.22 C +ATOM 599 CD1 LEU A 41 -14.421 4.530 -25.571 1.00 2.23 C +ATOM 600 CD2 LEU A 41 -12.751 5.509 -23.987 1.00 0.34 C +ATOM 601 H LEU A 41 -10.855 5.967 -26.403 1.00 1.34 H +ATOM 602 HA LEU A 41 -10.346 4.073 -24.381 1.00 13.31 H +ATOM 603 HB2 LEU A 41 -12.132 3.566 -26.736 1.00 50.25 H +ATOM 604 HB3 LEU A 41 -12.304 2.987 -25.081 1.00 0.22 H +ATOM 605 HG LEU A 41 -12.793 5.786 -26.091 1.00 34.12 H +ATOM 606 HD11 LEU A 41 -14.689 3.858 -24.770 1.00 2.13 H +ATOM 607 HD12 LEU A 41 -14.527 4.022 -26.518 1.00 25.12 H +ATOM 608 HD13 LEU A 41 -15.071 5.393 -25.551 1.00 31.40 H +ATOM 609 HD21 LEU A 41 -12.869 4.705 -23.276 1.00 14.12 H +ATOM 610 HD22 LEU A 41 -13.470 6.287 -23.775 1.00 32.43 H +ATOM 611 HD23 LEU A 41 -11.752 5.913 -23.911 1.00 43.43 H +ATOM 612 N CYS A 42 -9.197 3.365 -27.325 1.00 55.11 N +ATOM 613 CA CYS A 42 -8.366 2.440 -28.086 1.00 2.25 C +ATOM 614 C CYS A 42 -9.096 1.122 -28.324 1.00 34.11 C +ATOM 615 O CYS A 42 -8.771 0.101 -27.717 1.00 14.54 O +ATOM 616 CB CYS A 42 -7.050 2.181 -27.349 1.00 32.11 C +ATOM 617 SG CYS A 42 -6.123 3.692 -26.929 1.00 63.42 S +ATOM 618 H CYS A 42 -9.405 4.245 -27.706 1.00 60.12 H +ATOM 619 HA CYS A 42 -8.150 2.896 -29.040 1.00 31.40 H +ATOM 620 HB2 CYS A 42 -7.260 1.658 -26.427 1.00 2.42 H +ATOM 621 HB3 CYS A 42 -6.415 1.566 -27.969 1.00 23.25 H +ATOM 622 N ASP A 43 -10.084 1.152 -29.212 1.00 31.42 N +ATOM 623 CA ASP A 43 -10.860 -0.041 -29.532 1.00 53.42 C +ATOM 624 C ASP A 43 -10.666 -0.440 -30.992 1.00 2.24 C +ATOM 625 O ASP A 43 -9.932 0.214 -31.733 1.00 53.42 O +ATOM 626 CB ASP A 43 -12.344 0.200 -29.250 1.00 32.23 C +ATOM 627 CG ASP A 43 -13.019 1.004 -30.344 1.00 21.23 C +ATOM 628 OD1 ASP A 43 -12.350 1.874 -30.940 1.00 64.51 O +ATOM 629 OD2 ASP A 43 -14.216 0.763 -30.604 1.00 60.42 O +ATOM 630 H ASP A 43 -10.296 1.996 -29.663 1.00 63.33 H +ATOM 631 HA ASP A 43 -10.509 -0.844 -28.903 1.00 32.14 H +ATOM 632 HB2 ASP A 43 -12.847 -0.753 -29.167 1.00 12.34 H +ATOM 633 HB3 ASP A 43 -12.444 0.738 -28.318 1.00 71.44 H +ATOM 634 N LYS A 44 -11.327 -1.518 -31.398 1.00 22.52 N +ATOM 635 CA LYS A 44 -11.228 -2.006 -32.768 1.00 63.23 C +ATOM 636 C LYS A 44 -12.202 -1.268 -33.680 1.00 52.23 C +ATOM 637 O LYS A 44 -12.823 -0.284 -33.276 1.00 24.35 O +ATOM 638 CB LYS A 44 -11.506 -3.510 -32.818 1.00 33.24 C +ATOM 639 CG LYS A 44 -12.907 -3.885 -32.364 1.00 42.52 C +ATOM 640 CD LYS A 44 -12.874 -4.853 -31.194 1.00 62.52 C +ATOM 641 CE LYS A 44 -13.022 -6.294 -31.659 1.00 60.11 C +ATOM 642 NZ LYS A 44 -11.745 -7.050 -31.539 1.00 5.10 N +ATOM 643 H LYS A 44 -11.896 -1.998 -30.760 1.00 34.23 H +ATOM 644 HA LYS A 44 -10.221 -1.824 -33.114 1.00 14.45 H +ATOM 645 HB2 LYS A 44 -11.375 -3.855 -33.832 1.00 65.54 H +ATOM 646 HB3 LYS A 44 -10.797 -4.017 -32.179 1.00 44.42 H +ATOM 647 HG2 LYS A 44 -13.429 -2.989 -32.061 1.00 61.13 H +ATOM 648 HG3 LYS A 44 -13.430 -4.347 -33.189 1.00 34.43 H +ATOM 649 HD2 LYS A 44 -11.931 -4.749 -30.678 1.00 32.12 H +ATOM 650 HD3 LYS A 44 -13.684 -4.617 -30.519 1.00 52.12 H +ATOM 651 HE2 LYS A 44 -13.775 -6.778 -31.056 1.00 5.24 H +ATOM 652 HE3 LYS A 44 -13.335 -6.294 -32.693 1.00 22.31 H +ATOM 653 HZ1 LYS A 44 -11.656 -7.453 -30.584 1.00 42.44 H +ATOM 654 HZ2 LYS A 44 -10.938 -6.417 -31.713 1.00 64.13 H +ATOM 655 HZ3 LYS A 44 -11.720 -7.823 -32.234 1.00 32.23 H Added: SwiftApps/modFTdock/input/2kqb-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2kqb-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2kqb-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,791 @@ +ATOM 1 N GLY A 363 -17.132 -7.275 -5.552 1.00 0.00 N +ATOM 2 CA GLY A 363 -17.138 -8.762 -5.654 1.00 0.00 C +ATOM 3 C GLY A 363 -15.863 -9.233 -6.369 1.00 0.00 C +ATOM 4 O GLY A 363 -15.249 -8.470 -7.088 1.00 0.00 O +ATOM 5 H1 GLY A 363 -17.906 -6.966 -4.930 1.00 0.00 H +ATOM 6 H2 GLY A 363 -17.261 -6.862 -6.499 1.00 0.00 H +ATOM 7 H3 GLY A 363 -16.225 -6.958 -5.156 1.00 0.00 H +ATOM 8 HA2 GLY A 363 -17.177 -9.190 -4.663 1.00 0.00 H +ATOM 9 HA3 GLY A 363 -18.001 -9.080 -6.219 1.00 0.00 H +ATOM 10 N PRO A 364 -15.496 -10.479 -6.152 1.00 0.00 N +ATOM 11 CA PRO A 364 -14.277 -11.025 -6.800 1.00 0.00 C +ATOM 12 C PRO A 364 -14.522 -11.253 -8.300 1.00 0.00 C +ATOM 13 O PRO A 364 -15.539 -10.850 -8.831 1.00 0.00 O +ATOM 14 CB PRO A 364 -14.047 -12.351 -6.079 1.00 0.00 C +ATOM 15 CG PRO A 364 -15.392 -12.752 -5.565 1.00 0.00 C +ATOM 16 CD PRO A 364 -16.162 -11.484 -5.305 1.00 0.00 C +ATOM 17 HA PRO A 364 -13.436 -10.368 -6.645 1.00 0.00 H +ATOM 18 HB2 PRO A 364 -13.669 -13.092 -6.770 1.00 0.00 H +ATOM 19 HB3 PRO A 364 -13.362 -12.218 -5.256 1.00 0.00 H +ATOM 20 HG2 PRO A 364 -15.903 -13.353 -6.304 1.00 0.00 H +ATOM 21 HG3 PRO A 364 -15.285 -13.307 -4.646 1.00 0.00 H +ATOM 22 HD2 PRO A 364 -17.197 -11.605 -5.596 1.00 0.00 H +ATOM 23 HD3 PRO A 364 -16.089 -11.201 -4.266 1.00 0.00 H +ATOM 24 N LEU A 365 -13.599 -11.897 -8.993 1.00 0.00 N +ATOM 25 CA LEU A 365 -13.784 -12.149 -10.461 1.00 0.00 C +ATOM 26 C LEU A 365 -14.098 -10.838 -11.205 1.00 0.00 C +ATOM 27 O LEU A 365 -15.238 -10.416 -11.266 1.00 0.00 O +ATOM 28 CB LEU A 365 -14.964 -13.120 -10.563 1.00 0.00 C +ATOM 29 CG LEU A 365 -14.726 -14.093 -11.719 1.00 0.00 C +ATOM 30 CD1 LEU A 365 -15.737 -15.239 -11.638 1.00 0.00 C +ATOM 31 CD2 LEU A 365 -14.898 -13.356 -13.049 1.00 0.00 C +ATOM 32 H LEU A 365 -12.782 -12.216 -8.551 1.00 0.00 H +ATOM 33 HA LEU A 365 -12.899 -12.607 -10.874 1.00 0.00 H +ATOM 34 HB2 LEU A 365 -15.057 -13.672 -9.639 1.00 0.00 H +ATOM 35 HB3 LEU A 365 -15.873 -12.565 -10.744 1.00 0.00 H +ATOM 36 HG LEU A 365 -13.724 -14.492 -11.652 1.00 0.00 H +ATOM 37 HD11 LEU A 365 -16.727 -14.861 -11.847 1.00 0.00 H +ATOM 38 HD12 LEU A 365 -15.716 -15.668 -10.647 1.00 0.00 H +ATOM 39 HD13 LEU A 365 -15.480 -15.996 -12.364 1.00 0.00 H +ATOM 40 HD21 LEU A 365 -14.655 -14.022 -13.863 1.00 0.00 H +ATOM 41 HD22 LEU A 365 -14.238 -12.501 -13.074 1.00 0.00 H +ATOM 42 HD23 LEU A 365 -15.921 -13.024 -13.147 1.00 0.00 H +ATOM 43 N GLY A 366 -13.099 -10.190 -11.771 1.00 0.00 N +ATOM 44 CA GLY A 366 -13.353 -8.914 -12.504 1.00 0.00 C +ATOM 45 C GLY A 366 -13.300 -7.736 -11.520 1.00 0.00 C +ATOM 46 O GLY A 366 -14.107 -6.828 -11.597 1.00 0.00 O +ATOM 47 H GLY A 366 -12.182 -10.541 -11.714 1.00 0.00 H +ATOM 48 HA2 GLY A 366 -12.598 -8.782 -13.267 1.00 0.00 H +ATOM 49 HA3 GLY A 366 -14.328 -8.951 -12.964 1.00 0.00 H +ATOM 50 N SER A 367 -12.361 -7.738 -10.595 1.00 0.00 N +ATOM 51 CA SER A 367 -12.272 -6.612 -9.616 1.00 0.00 C +ATOM 52 C SER A 367 -10.805 -6.340 -9.244 1.00 0.00 C +ATOM 53 O SER A 367 -10.187 -7.123 -8.546 1.00 0.00 O +ATOM 54 CB SER A 367 -13.055 -7.088 -8.393 1.00 0.00 C +ATOM 55 OG SER A 367 -14.431 -6.779 -8.567 1.00 0.00 O +ATOM 56 H SER A 367 -11.715 -8.478 -10.543 1.00 0.00 H +ATOM 57 HA SER A 367 -12.729 -5.723 -10.022 1.00 0.00 H +ATOM 58 HB2 SER A 367 -12.942 -8.154 -8.284 1.00 0.00 H +ATOM 59 HB3 SER A 367 -12.673 -6.596 -7.509 1.00 0.00 H +ATOM 60 HG SER A 367 -14.542 -5.835 -8.434 1.00 0.00 H +ATOM 61 N GLY A 368 -10.241 -5.240 -9.700 1.00 0.00 N +ATOM 62 CA GLY A 368 -8.818 -4.934 -9.365 1.00 0.00 C +ATOM 63 C GLY A 368 -8.108 -4.370 -10.604 1.00 0.00 C +ATOM 64 O GLY A 368 -7.457 -5.097 -11.331 1.00 0.00 O +ATOM 65 H GLY A 368 -10.750 -4.615 -10.263 1.00 0.00 H +ATOM 66 HA2 GLY A 368 -8.786 -4.206 -8.566 1.00 0.00 H +ATOM 67 HA3 GLY A 368 -8.320 -5.838 -9.050 1.00 0.00 H +ATOM 68 N SER A 369 -8.224 -3.081 -10.854 1.00 0.00 N +ATOM 69 CA SER A 369 -7.550 -2.486 -12.047 1.00 0.00 C +ATOM 70 C SER A 369 -7.003 -1.091 -11.706 1.00 0.00 C +ATOM 71 O SER A 369 -7.214 -0.145 -12.441 1.00 0.00 O +ATOM 72 CB SER A 369 -8.645 -2.387 -13.110 1.00 0.00 C +ATOM 73 OG SER A 369 -9.747 -1.662 -12.582 1.00 0.00 O +ATOM 74 H SER A 369 -8.752 -2.503 -10.259 1.00 0.00 H +ATOM 75 HA SER A 369 -6.757 -3.130 -12.393 1.00 0.00 H +ATOM 76 HB2 SER A 369 -8.263 -1.872 -13.975 1.00 0.00 H +ATOM 77 HB3 SER A 369 -8.959 -3.383 -13.395 1.00 0.00 H +ATOM 78 HG SER A 369 -10.290 -2.272 -12.077 1.00 0.00 H +ATOM 79 N GLU A 370 -6.301 -0.952 -10.598 1.00 0.00 N +ATOM 80 CA GLU A 370 -5.750 0.385 -10.227 1.00 0.00 C +ATOM 81 C GLU A 370 -4.240 0.280 -9.960 1.00 0.00 C +ATOM 82 O GLU A 370 -3.796 0.397 -8.832 1.00 0.00 O +ATOM 83 CB GLU A 370 -6.498 0.781 -8.953 1.00 0.00 C +ATOM 84 CG GLU A 370 -7.944 1.142 -9.301 1.00 0.00 C +ATOM 85 CD GLU A 370 -8.836 -0.087 -9.115 1.00 0.00 C +ATOM 86 OE1 GLU A 370 -9.002 -0.508 -7.983 1.00 0.00 O +ATOM 87 OE2 GLU A 370 -9.337 -0.587 -10.109 1.00 0.00 O +ATOM 88 H GLU A 370 -6.135 -1.723 -10.011 1.00 0.00 H +ATOM 89 HA GLU A 370 -5.946 1.103 -11.008 1.00 0.00 H +ATOM 90 HB2 GLU A 370 -6.489 -0.047 -8.259 1.00 0.00 H +ATOM 91 HB3 GLU A 370 -6.015 1.634 -8.502 1.00 0.00 H +ATOM 92 HG2 GLU A 370 -8.282 1.935 -8.650 1.00 0.00 H +ATOM 93 HG3 GLU A 370 -7.997 1.471 -10.327 1.00 0.00 H +ATOM 94 N GLY A 371 -3.444 0.058 -10.987 1.00 0.00 N +ATOM 95 CA GLY A 371 -1.970 -0.052 -10.781 1.00 0.00 C +ATOM 96 C GLY A 371 -1.235 0.674 -11.917 1.00 0.00 C +ATOM 97 O GLY A 371 -0.234 0.193 -12.414 1.00 0.00 O +ATOM 98 H GLY A 371 -3.814 -0.035 -11.893 1.00 0.00 H +ATOM 99 HA2 GLY A 371 -1.705 0.398 -9.834 1.00 0.00 H +ATOM 100 HA3 GLY A 371 -1.683 -1.092 -10.778 1.00 0.00 H +ATOM 101 N ASN A 372 -1.719 1.828 -12.334 1.00 0.00 N +ATOM 102 CA ASN A 372 -1.035 2.570 -13.437 1.00 0.00 C +ATOM 103 C ASN A 372 -1.219 4.087 -13.258 1.00 0.00 C +ATOM 104 O ASN A 372 -0.268 4.801 -13.002 1.00 0.00 O +ATOM 105 CB ASN A 372 -1.715 2.090 -14.720 1.00 0.00 C +ATOM 106 CG ASN A 372 -0.939 0.899 -15.296 1.00 0.00 C +ATOM 107 OD1 ASN A 372 0.215 1.033 -15.653 1.00 0.00 O +ATOM 108 ND2 ASN A 372 -1.520 -0.271 -15.404 1.00 0.00 N +ATOM 109 H ASN A 372 -2.528 2.206 -11.923 1.00 0.00 H +ATOM 110 HA ASN A 372 0.014 2.320 -13.462 1.00 0.00 H +ATOM 111 HB2 ASN A 372 -2.728 1.788 -14.498 1.00 0.00 H +ATOM 112 HB3 ASN A 372 -1.728 2.892 -15.443 1.00 0.00 H +ATOM 113 HD21 ASN A 372 -2.452 -0.391 -15.119 1.00 0.00 H +ATOM 114 HD22 ASN A 372 -1.022 -1.030 -15.772 1.00 0.00 H +ATOM 115 N LYS A 373 -2.432 4.588 -13.388 1.00 0.00 N +ATOM 116 CA LYS A 373 -2.656 6.055 -13.221 1.00 0.00 C +ATOM 117 C LYS A 373 -3.924 6.308 -12.392 1.00 0.00 C +ATOM 118 O LYS A 373 -4.881 6.884 -12.876 1.00 0.00 O +ATOM 119 CB LYS A 373 -2.813 6.597 -14.643 1.00 0.00 C +ATOM 120 CG LYS A 373 -1.444 7.026 -15.183 1.00 0.00 C +ATOM 121 CD LYS A 373 -0.879 5.929 -16.089 1.00 0.00 C +ATOM 122 CE LYS A 373 0.430 6.409 -16.719 1.00 0.00 C +ATOM 123 NZ LYS A 373 0.014 7.215 -17.901 1.00 0.00 N +ATOM 124 H LYS A 373 -3.194 4.002 -13.594 1.00 0.00 H +ATOM 125 HA LYS A 373 -1.804 6.513 -12.745 1.00 0.00 H +ATOM 126 HB2 LYS A 373 -3.228 5.826 -15.277 1.00 0.00 H +ATOM 127 HB3 LYS A 373 -3.476 7.449 -14.632 1.00 0.00 H +ATOM 128 HG2 LYS A 373 -1.552 7.939 -15.749 1.00 0.00 H +ATOM 129 HG3 LYS A 373 -0.765 7.193 -14.359 1.00 0.00 H +ATOM 130 HD2 LYS A 373 -0.693 5.039 -15.505 1.00 0.00 H +ATOM 131 HD3 LYS A 373 -1.590 5.706 -16.870 1.00 0.00 H +ATOM 132 HE2 LYS A 373 0.981 7.022 -16.018 1.00 0.00 H +ATOM 133 HE3 LYS A 373 1.027 5.568 -17.036 1.00 0.00 H +ATOM 134 HZ1 LYS A 373 0.854 7.484 -18.450 1.00 0.00 H +ATOM 135 HZ2 LYS A 373 -0.480 8.072 -17.578 1.00 0.00 H +ATOM 136 HZ3 LYS A 373 -0.622 6.650 -18.498 1.00 0.00 H +ATOM 137 N VAL A 374 -3.937 5.888 -11.144 1.00 0.00 N +ATOM 138 CA VAL A 374 -5.139 6.111 -10.287 1.00 0.00 C +ATOM 139 C VAL A 374 -4.703 6.383 -8.837 1.00 0.00 C +ATOM 140 O VAL A 374 -3.599 6.050 -8.448 1.00 0.00 O +ATOM 141 CB VAL A 374 -5.945 4.810 -10.381 1.00 0.00 C +ATOM 142 CG1 VAL A 374 -7.208 4.918 -9.521 1.00 0.00 C +ATOM 143 CG2 VAL A 374 -6.348 4.561 -11.838 1.00 0.00 C +ATOM 144 H VAL A 374 -3.156 5.428 -10.766 1.00 0.00 H +ATOM 145 HA VAL A 374 -5.720 6.935 -10.666 1.00 0.00 H +ATOM 146 HB VAL A 374 -5.341 3.987 -10.029 1.00 0.00 H +ATOM 147 HG11 VAL A 374 -6.934 4.914 -8.477 1.00 0.00 H +ATOM 148 HG12 VAL A 374 -7.856 4.077 -9.726 1.00 0.00 H +ATOM 149 HG13 VAL A 374 -7.726 5.836 -9.755 1.00 0.00 H +ATOM 150 HG21 VAL A 374 -6.695 5.485 -12.278 1.00 0.00 H +ATOM 151 HG22 VAL A 374 -7.138 3.827 -11.873 1.00 0.00 H +ATOM 152 HG23 VAL A 374 -5.494 4.198 -12.391 1.00 0.00 H +ATOM 153 N LYS A 375 -5.560 6.976 -8.032 1.00 0.00 N +ATOM 154 CA LYS A 375 -5.177 7.253 -6.603 1.00 0.00 C +ATOM 155 C LYS A 375 -5.557 6.050 -5.724 1.00 0.00 C +ATOM 156 O LYS A 375 -6.665 5.963 -5.226 1.00 0.00 O +ATOM 157 CB LYS A 375 -5.963 8.503 -6.178 1.00 0.00 C +ATOM 158 CG LYS A 375 -5.199 9.758 -6.609 1.00 0.00 C +ATOM 159 CD LYS A 375 -6.190 10.894 -6.891 1.00 0.00 C +ATOM 160 CE LYS A 375 -5.744 11.675 -8.131 1.00 0.00 C +ATOM 161 NZ LYS A 375 -6.647 12.859 -8.187 1.00 0.00 N +ATOM 162 H LYS A 375 -6.451 7.228 -8.366 1.00 0.00 H +ATOM 163 HA LYS A 375 -4.112 7.444 -6.532 1.00 0.00 H +ATOM 164 HB2 LYS A 375 -6.936 8.494 -6.649 1.00 0.00 H +ATOM 165 HB3 LYS A 375 -6.083 8.508 -5.105 1.00 0.00 H +ATOM 166 HG2 LYS A 375 -4.524 10.057 -5.818 1.00 0.00 H +ATOM 167 HG3 LYS A 375 -4.633 9.545 -7.503 1.00 0.00 H +ATOM 168 HD2 LYS A 375 -7.175 10.482 -7.061 1.00 0.00 H +ATOM 169 HD3 LYS A 375 -6.223 11.561 -6.042 1.00 0.00 H +ATOM 170 HE2 LYS A 375 -4.714 11.988 -8.025 1.00 0.00 H +ATOM 171 HE3 LYS A 375 -5.867 11.074 -9.018 1.00 0.00 H +ATOM 172 HZ1 LYS A 375 -6.482 13.462 -7.356 1.00 0.00 H +ATOM 173 HZ2 LYS A 375 -7.637 12.539 -8.193 1.00 0.00 H +ATOM 174 HZ3 LYS A 375 -6.452 13.403 -9.051 1.00 0.00 H +ATOM 175 N ARG A 376 -4.643 5.119 -5.535 1.00 0.00 N +ATOM 176 CA ARG A 376 -4.965 3.921 -4.691 1.00 0.00 C +ATOM 177 C ARG A 376 -5.334 4.355 -3.272 1.00 0.00 C +ATOM 178 O ARG A 376 -4.904 5.393 -2.802 1.00 0.00 O +ATOM 179 CB ARG A 376 -3.715 3.036 -4.655 1.00 0.00 C +ATOM 180 CG ARG A 376 -3.806 1.987 -5.765 1.00 0.00 C +ATOM 181 CD ARG A 376 -2.609 1.032 -5.681 1.00 0.00 C +ATOM 182 NE ARG A 376 -1.394 1.907 -5.728 1.00 0.00 N +ATOM 183 CZ ARG A 376 -1.051 2.554 -6.832 1.00 0.00 C +ATOM 184 NH1 ARG A 376 -1.717 2.399 -7.953 1.00 0.00 N +ATOM 185 NH2 ARG A 376 -0.015 3.351 -6.817 1.00 0.00 N +ATOM 186 H ARG A 376 -3.764 5.226 -5.957 1.00 0.00 H +ATOM 187 HA ARG A 376 -5.781 3.378 -5.126 1.00 0.00 H +ATOM 188 HB2 ARG A 376 -2.836 3.645 -4.803 1.00 0.00 H +ATOM 189 HB3 ARG A 376 -3.653 2.538 -3.699 1.00 0.00 H +ATOM 190 HG2 ARG A 376 -4.722 1.424 -5.650 1.00 0.00 H +ATOM 191 HG3 ARG A 376 -3.806 2.480 -6.723 1.00 0.00 H +ATOM 192 HD2 ARG A 376 -2.643 0.473 -4.751 1.00 0.00 H +ATOM 193 HD3 ARG A 376 -2.610 0.359 -6.521 1.00 0.00 H +ATOM 194 HE ARG A 376 -0.853 2.016 -4.915 1.00 0.00 H +ATOM 195 HH11 ARG A 376 -2.499 1.782 -7.998 1.00 0.00 H +ATOM 196 HH12 ARG A 376 -1.438 2.907 -8.769 1.00 0.00 H +ATOM 197 HH21 ARG A 376 0.514 3.469 -5.977 1.00 0.00 H +ATOM 198 HH22 ARG A 376 0.249 3.844 -7.647 1.00 0.00 H +ATOM 199 N THR A 377 -6.117 3.560 -2.580 1.00 0.00 N +ATOM 200 CA THR A 377 -6.496 3.928 -1.183 1.00 0.00 C +ATOM 201 C THR A 377 -5.345 3.537 -0.247 1.00 0.00 C +ATOM 202 O THR A 377 -4.765 2.481 -0.404 1.00 0.00 O +ATOM 203 CB THR A 377 -7.795 3.145 -0.880 1.00 0.00 C +ATOM 204 OG1 THR A 377 -8.425 3.693 0.270 1.00 0.00 O +ATOM 205 CG2 THR A 377 -7.494 1.658 -0.638 1.00 0.00 C +ATOM 206 H THR A 377 -6.438 2.715 -2.977 1.00 0.00 H +ATOM 207 HA THR A 377 -6.681 4.990 -1.118 1.00 0.00 H +ATOM 208 HB THR A 377 -8.458 3.234 -1.730 1.00 0.00 H +ATOM 209 HG1 THR A 377 -9.320 3.344 0.314 1.00 0.00 H +ATOM 210 HG21 THR A 377 -8.412 1.136 -0.414 1.00 0.00 H +ATOM 211 HG22 THR A 377 -6.813 1.565 0.195 1.00 0.00 H +ATOM 212 HG23 THR A 377 -7.042 1.234 -1.522 1.00 0.00 H +ATOM 213 N SER A 378 -5.002 4.365 0.718 1.00 0.00 N +ATOM 214 CA SER A 378 -3.864 3.998 1.646 1.00 0.00 C +ATOM 215 C SER A 378 -4.116 2.601 2.237 1.00 0.00 C +ATOM 216 O SER A 378 -5.252 2.185 2.366 1.00 0.00 O +ATOM 217 CB SER A 378 -3.840 5.056 2.761 1.00 0.00 C +ATOM 218 OG SER A 378 -5.039 4.966 3.521 1.00 0.00 O +ATOM 219 H SER A 378 -5.490 5.209 0.824 1.00 0.00 H +ATOM 220 HA SER A 378 -2.925 4.006 1.105 1.00 0.00 H +ATOM 221 HB2 SER A 378 -2.995 4.883 3.407 1.00 0.00 H +ATOM 222 HB3 SER A 378 -3.755 6.040 2.319 1.00 0.00 H +ATOM 223 HG SER A 378 -4.912 4.299 4.201 1.00 0.00 H +ATOM 224 N CYS A 379 -3.083 1.870 2.585 1.00 0.00 N +ATOM 225 CA CYS A 379 -3.305 0.491 3.158 1.00 0.00 C +ATOM 226 C CYS A 379 -3.785 0.574 4.621 1.00 0.00 C +ATOM 227 O CYS A 379 -3.535 1.550 5.304 1.00 0.00 O +ATOM 228 CB CYS A 379 -1.939 -0.212 3.093 1.00 0.00 C +ATOM 229 SG CYS A 379 -2.167 -2.003 3.141 1.00 0.00 S +ATOM 230 H CYS A 379 -2.159 2.210 2.479 1.00 0.00 H +ATOM 231 HA CYS A 379 -4.021 -0.052 2.561 1.00 0.00 H +ATOM 232 HB2 CYS A 379 -1.439 0.061 2.175 1.00 0.00 H +ATOM 233 HB3 CYS A 379 -1.335 0.096 3.935 1.00 0.00 H +ATOM 234 N MET A 380 -4.454 -0.455 5.115 1.00 0.00 N +ATOM 235 CA MET A 380 -4.923 -0.430 6.556 1.00 0.00 C +ATOM 236 C MET A 380 -3.725 -0.237 7.512 1.00 0.00 C +ATOM 237 O MET A 380 -3.883 0.285 8.600 1.00 0.00 O +ATOM 238 CB MET A 380 -5.587 -1.790 6.835 1.00 0.00 C +ATOM 239 CG MET A 380 -6.790 -1.975 5.909 1.00 0.00 C +ATOM 240 SD MET A 380 -7.957 -3.144 6.654 1.00 0.00 S +ATOM 241 CE MET A 380 -7.064 -4.658 6.224 1.00 0.00 C +ATOM 242 H MET A 380 -4.629 -1.245 4.549 1.00 0.00 H +ATOM 243 HA MET A 380 -5.641 0.364 6.698 1.00 0.00 H +ATOM 244 HB2 MET A 380 -4.873 -2.581 6.660 1.00 0.00 H +ATOM 245 HB3 MET A 380 -5.917 -1.824 7.863 1.00 0.00 H +ATOM 246 HG2 MET A 380 -7.279 -1.024 5.761 1.00 0.00 H +ATOM 247 HG3 MET A 380 -6.453 -2.359 4.958 1.00 0.00 H +ATOM 248 HE1 MET A 380 -6.280 -4.830 6.948 1.00 0.00 H +ATOM 249 HE2 MET A 380 -6.630 -4.555 5.244 1.00 0.00 H +ATOM 250 HE3 MET A 380 -7.752 -5.494 6.226 1.00 0.00 H +ATOM 251 N TYR A 381 -2.529 -0.635 7.116 1.00 0.00 N +ATOM 252 CA TYR A 381 -1.346 -0.440 8.017 1.00 0.00 C +ATOM 253 C TYR A 381 -0.682 0.930 7.766 1.00 0.00 C +ATOM 254 O TYR A 381 0.042 1.424 8.612 1.00 0.00 O +ATOM 255 CB TYR A 381 -0.384 -1.589 7.708 1.00 0.00 C +ATOM 256 CG TYR A 381 -0.859 -2.820 8.438 1.00 0.00 C +ATOM 257 CD1 TYR A 381 -0.513 -3.012 9.802 1.00 0.00 C +ATOM 258 CD2 TYR A 381 -1.661 -3.780 7.765 1.00 0.00 C +ATOM 259 CE1 TYR A 381 -0.968 -4.166 10.495 1.00 0.00 C +ATOM 260 CE2 TYR A 381 -2.118 -4.932 8.458 1.00 0.00 C +ATOM 261 CZ TYR A 381 -1.771 -5.127 9.823 1.00 0.00 C +ATOM 262 OH TYR A 381 -2.215 -6.248 10.495 1.00 0.00 O +ATOM 263 H TYR A 381 -2.419 -1.036 6.224 1.00 0.00 H +ATOM 264 HA TYR A 381 -1.661 -0.506 9.047 1.00 0.00 H +ATOM 265 HB2 TYR A 381 -0.373 -1.777 6.644 1.00 0.00 H +ATOM 266 HB3 TYR A 381 0.606 -1.330 8.044 1.00 0.00 H +ATOM 267 HD1 TYR A 381 0.096 -2.281 10.312 1.00 0.00 H +ATOM 268 HD2 TYR A 381 -1.924 -3.632 6.728 1.00 0.00 H +ATOM 269 HE1 TYR A 381 -0.704 -4.311 11.532 1.00 0.00 H +ATOM 270 HE2 TYR A 381 -2.730 -5.661 7.946 1.00 0.00 H +ATOM 271 HH TYR A 381 -3.160 -6.156 10.637 1.00 0.00 H +ATOM 272 N GLY A 382 -0.920 1.563 6.627 1.00 0.00 N +ATOM 273 CA GLY A 382 -0.302 2.897 6.369 1.00 0.00 C +ATOM 274 C GLY A 382 1.224 2.762 6.292 1.00 0.00 C +ATOM 275 O GLY A 382 1.774 2.519 5.235 1.00 0.00 O +ATOM 276 H GLY A 382 -1.507 1.178 5.944 1.00 0.00 H +ATOM 277 HA2 GLY A 382 -0.677 3.291 5.436 1.00 0.00 H +ATOM 278 HA3 GLY A 382 -0.559 3.570 7.172 1.00 0.00 H +ATOM 279 N ALA A 383 1.911 2.916 7.402 1.00 0.00 N +ATOM 280 CA ALA A 383 3.402 2.795 7.380 1.00 0.00 C +ATOM 281 C ALA A 383 3.889 1.459 7.981 1.00 0.00 C +ATOM 282 O ALA A 383 5.080 1.201 7.988 1.00 0.00 O +ATOM 283 CB ALA A 383 3.915 3.974 8.214 1.00 0.00 C +ATOM 284 H ALA A 383 1.440 3.104 8.246 1.00 0.00 H +ATOM 285 HA ALA A 383 3.760 2.891 6.368 1.00 0.00 H +ATOM 286 HB1 ALA A 383 4.966 3.839 8.421 1.00 0.00 H +ATOM 287 HB2 ALA A 383 3.367 4.020 9.145 1.00 0.00 H +ATOM 288 HB3 ALA A 383 3.771 4.894 7.667 1.00 0.00 H +ATOM 289 N ASN A 384 3.014 0.610 8.494 1.00 0.00 N +ATOM 290 CA ASN A 384 3.499 -0.676 9.086 1.00 0.00 C +ATOM 291 C ASN A 384 3.026 -1.905 8.280 1.00 0.00 C +ATOM 292 O ASN A 384 3.004 -3.001 8.807 1.00 0.00 O +ATOM 293 CB ASN A 384 2.909 -0.702 10.498 1.00 0.00 C +ATOM 294 CG ASN A 384 3.817 0.092 11.441 1.00 0.00 C +ATOM 295 OD1 ASN A 384 4.640 -0.480 12.127 1.00 0.00 O +ATOM 296 ND2 ASN A 384 3.709 1.397 11.508 1.00 0.00 N +ATOM 297 H ASN A 384 2.055 0.810 8.509 1.00 0.00 H +ATOM 298 HA ASN A 384 4.576 -0.671 9.148 1.00 0.00 H +ATOM 299 HB2 ASN A 384 1.925 -0.255 10.484 1.00 0.00 H +ATOM 300 HB3 ASN A 384 2.838 -1.723 10.843 1.00 0.00 H +ATOM 301 HD21 ASN A 384 3.048 1.871 10.957 1.00 0.00 H +ATOM 302 HD22 ASN A 384 4.292 1.902 12.111 1.00 0.00 H +ATOM 303 N CYS A 385 2.635 -1.753 7.019 1.00 0.00 N +ATOM 304 CA CYS A 385 2.161 -2.958 6.227 1.00 0.00 C +ATOM 305 C CYS A 385 3.182 -4.111 6.335 1.00 0.00 C +ATOM 306 O CYS A 385 4.377 -3.889 6.301 1.00 0.00 O +ATOM 307 CB CYS A 385 2.018 -2.502 4.758 1.00 0.00 C +ATOM 308 SG CYS A 385 1.176 -3.784 3.787 1.00 0.00 S +ATOM 309 H CYS A 385 2.631 -0.865 6.598 1.00 0.00 H +ATOM 310 HA CYS A 385 1.202 -3.285 6.600 1.00 0.00 H +ATOM 311 HB2 CYS A 385 1.441 -1.591 4.722 1.00 0.00 H +ATOM 312 HB3 CYS A 385 2.999 -2.321 4.341 1.00 0.00 H +ATOM 313 N TYR A 386 2.715 -5.334 6.470 1.00 0.00 N +ATOM 314 CA TYR A 386 3.667 -6.488 6.587 1.00 0.00 C +ATOM 315 C TYR A 386 3.539 -7.465 5.394 1.00 0.00 C +ATOM 316 O TYR A 386 4.530 -8.009 4.940 1.00 0.00 O +ATOM 317 CB TYR A 386 3.320 -7.172 7.922 1.00 0.00 C +ATOM 318 CG TYR A 386 1.967 -7.843 7.846 1.00 0.00 C +ATOM 319 CD1 TYR A 386 1.858 -9.151 7.305 1.00 0.00 C +ATOM 320 CD2 TYR A 386 0.808 -7.171 8.321 1.00 0.00 C +ATOM 321 CE1 TYR A 386 0.592 -9.789 7.236 1.00 0.00 C +ATOM 322 CE2 TYR A 386 -0.460 -7.808 8.251 1.00 0.00 C +ATOM 323 CZ TYR A 386 -0.568 -9.118 7.709 1.00 0.00 C +ATOM 324 OH TYR A 386 -1.800 -9.738 7.643 1.00 0.00 O +ATOM 325 H TYR A 386 1.746 -5.478 6.489 1.00 0.00 H +ATOM 326 HA TYR A 386 4.678 -6.114 6.634 1.00 0.00 H +ATOM 327 HB2 TYR A 386 4.071 -7.915 8.145 1.00 0.00 H +ATOM 328 HB3 TYR A 386 3.308 -6.431 8.708 1.00 0.00 H +ATOM 329 HD1 TYR A 386 2.739 -9.660 6.944 1.00 0.00 H +ATOM 330 HD2 TYR A 386 0.891 -6.176 8.732 1.00 0.00 H +ATOM 331 HE1 TYR A 386 0.510 -10.785 6.825 1.00 0.00 H +ATOM 332 HE2 TYR A 386 -1.340 -7.299 8.610 1.00 0.00 H +ATOM 333 HH TYR A 386 -1.954 -10.182 8.480 1.00 0.00 H +ATOM 334 N ARG A 387 2.346 -7.693 4.875 1.00 0.00 N +ATOM 335 CA ARG A 387 2.211 -8.635 3.710 1.00 0.00 C +ATOM 336 C ARG A 387 2.701 -7.942 2.428 1.00 0.00 C +ATOM 337 O ARG A 387 2.778 -6.728 2.375 1.00 0.00 O +ATOM 338 CB ARG A 387 0.714 -9.010 3.605 1.00 0.00 C +ATOM 339 CG ARG A 387 -0.140 -7.776 3.263 1.00 0.00 C +ATOM 340 CD ARG A 387 -1.502 -8.230 2.710 1.00 0.00 C +ATOM 341 NE ARG A 387 -2.544 -7.363 3.373 1.00 0.00 N +ATOM 342 CZ ARG A 387 -3.801 -7.771 3.492 1.00 0.00 C +ATOM 343 NH1 ARG A 387 -4.197 -8.932 3.021 1.00 0.00 N +ATOM 344 NH2 ARG A 387 -4.677 -6.997 4.081 1.00 0.00 N +ATOM 345 H ARG A 387 1.556 -7.247 5.240 1.00 0.00 H +ATOM 346 HA ARG A 387 2.797 -9.524 3.890 1.00 0.00 H +ATOM 347 HB2 ARG A 387 0.589 -9.754 2.834 1.00 0.00 H +ATOM 348 HB3 ARG A 387 0.386 -9.418 4.550 1.00 0.00 H +ATOM 349 HG2 ARG A 387 -0.293 -7.185 4.154 1.00 0.00 H +ATOM 350 HG3 ARG A 387 0.363 -7.178 2.519 1.00 0.00 H +ATOM 351 HD2 ARG A 387 -1.530 -8.094 1.638 1.00 0.00 H +ATOM 352 HD3 ARG A 387 -1.673 -9.265 2.958 1.00 0.00 H +ATOM 353 HE ARG A 387 -2.294 -6.476 3.722 1.00 0.00 H +ATOM 354 HH11 ARG A 387 -3.555 -9.538 2.556 1.00 0.00 H +ATOM 355 HH12 ARG A 387 -5.151 -9.210 3.129 1.00 0.00 H +ATOM 356 HH21 ARG A 387 -4.396 -6.106 4.437 1.00 0.00 H +ATOM 357 HH22 ARG A 387 -5.626 -7.297 4.175 1.00 0.00 H +ATOM 358 N LYS A 388 3.033 -8.692 1.397 1.00 0.00 N +ATOM 359 CA LYS A 388 3.515 -8.047 0.137 1.00 0.00 C +ATOM 360 C LYS A 388 3.234 -8.939 -1.085 1.00 0.00 C +ATOM 361 O LYS A 388 3.914 -9.921 -1.316 1.00 0.00 O +ATOM 362 CB LYS A 388 5.022 -7.852 0.336 1.00 0.00 C +ATOM 363 CG LYS A 388 5.706 -9.204 0.591 1.00 0.00 C +ATOM 364 CD LYS A 388 6.512 -9.145 1.891 1.00 0.00 C +ATOM 365 CE LYS A 388 7.212 -10.487 2.118 1.00 0.00 C +ATOM 366 NZ LYS A 388 8.417 -10.448 1.243 1.00 0.00 N +ATOM 367 H LYS A 388 2.967 -9.672 1.451 1.00 0.00 H +ATOM 368 HA LYS A 388 3.040 -7.086 0.008 1.00 0.00 H +ATOM 369 HB2 LYS A 388 5.440 -7.401 -0.553 1.00 0.00 H +ATOM 370 HB3 LYS A 388 5.186 -7.199 1.180 1.00 0.00 H +ATOM 371 HG2 LYS A 388 4.960 -9.982 0.668 1.00 0.00 H +ATOM 372 HG3 LYS A 388 6.370 -9.427 -0.230 1.00 0.00 H +ATOM 373 HD2 LYS A 388 7.251 -8.359 1.821 1.00 0.00 H +ATOM 374 HD3 LYS A 388 5.848 -8.944 2.717 1.00 0.00 H +ATOM 375 HE2 LYS A 388 7.501 -10.587 3.155 1.00 0.00 H +ATOM 376 HE3 LYS A 388 6.569 -11.301 1.824 1.00 0.00 H +ATOM 377 HZ1 LYS A 388 8.857 -11.389 1.216 1.00 0.00 H +ATOM 378 HZ2 LYS A 388 9.098 -9.757 1.621 1.00 0.00 H +ATOM 379 HZ3 LYS A 388 8.139 -10.171 0.281 1.00 0.00 H +ATOM 380 N ASN A 389 2.236 -8.601 -1.875 1.00 0.00 N +ATOM 381 CA ASN A 389 1.920 -9.425 -3.079 1.00 0.00 C +ATOM 382 C ASN A 389 2.076 -8.574 -4.347 1.00 0.00 C +ATOM 383 O ASN A 389 2.144 -7.363 -4.265 1.00 0.00 O +ATOM 384 CB ASN A 389 0.458 -9.839 -2.901 1.00 0.00 C +ATOM 385 CG ASN A 389 0.384 -11.261 -2.334 1.00 0.00 C +ATOM 386 OD1 ASN A 389 1.023 -11.565 -1.346 1.00 0.00 O +ATOM 387 ND2 ASN A 389 -0.376 -12.157 -2.919 1.00 0.00 N +ATOM 388 H ASN A 389 1.692 -7.806 -1.683 1.00 0.00 H +ATOM 389 HA ASN A 389 2.553 -10.297 -3.122 1.00 0.00 H +ATOM 390 HB2 ASN A 389 -0.030 -9.155 -2.222 1.00 0.00 H +ATOM 391 HB3 ASN A 389 -0.041 -9.811 -3.859 1.00 0.00 H +ATOM 392 HD21 ASN A 389 -0.895 -11.923 -3.718 1.00 0.00 H +ATOM 393 HD22 ASN A 389 -0.429 -13.065 -2.553 1.00 0.00 H +ATOM 394 N PRO A 390 2.112 -9.222 -5.490 1.00 0.00 N +ATOM 395 CA PRO A 390 2.242 -8.475 -6.765 1.00 0.00 C +ATOM 396 C PRO A 390 0.926 -7.731 -7.090 1.00 0.00 C +ATOM 397 O PRO A 390 0.940 -6.735 -7.774 1.00 0.00 O +ATOM 398 CB PRO A 390 2.528 -9.563 -7.797 1.00 0.00 C +ATOM 399 CG PRO A 390 1.952 -10.812 -7.214 1.00 0.00 C +ATOM 400 CD PRO A 390 2.029 -10.676 -5.714 1.00 0.00 C +ATOM 401 HA PRO A 390 3.068 -7.784 -6.718 1.00 0.00 H +ATOM 402 HB2 PRO A 390 2.046 -9.325 -8.736 1.00 0.00 H +ATOM 403 HB3 PRO A 390 3.592 -9.678 -7.937 1.00 0.00 H +ATOM 404 HG2 PRO A 390 0.920 -10.919 -7.523 1.00 0.00 H +ATOM 405 HG3 PRO A 390 2.525 -11.668 -7.532 1.00 0.00 H +ATOM 406 HD2 PRO A 390 1.139 -11.083 -5.252 1.00 0.00 H +ATOM 407 HD3 PRO A 390 2.913 -11.163 -5.333 1.00 0.00 H +ATOM 408 N VAL A 391 -0.208 -8.208 -6.607 1.00 0.00 N +ATOM 409 CA VAL A 391 -1.518 -7.519 -6.881 1.00 0.00 C +ATOM 410 C VAL A 391 -1.949 -6.613 -5.697 1.00 0.00 C +ATOM 411 O VAL A 391 -2.760 -5.725 -5.873 1.00 0.00 O +ATOM 412 CB VAL A 391 -2.537 -8.645 -7.086 1.00 0.00 C +ATOM 413 CG1 VAL A 391 -3.912 -8.060 -7.414 1.00 0.00 C +ATOM 414 CG2 VAL A 391 -2.089 -9.550 -8.237 1.00 0.00 C +ATOM 415 H VAL A 391 -0.203 -9.013 -6.050 1.00 0.00 H +ATOM 416 HA VAL A 391 -1.443 -6.930 -7.784 1.00 0.00 H +ATOM 417 HB VAL A 391 -2.599 -9.221 -6.180 1.00 0.00 H +ATOM 418 HG11 VAL A 391 -3.803 -7.280 -8.149 1.00 0.00 H +ATOM 419 HG12 VAL A 391 -4.351 -7.651 -6.518 1.00 0.00 H +ATOM 420 HG13 VAL A 391 -4.550 -8.838 -7.805 1.00 0.00 H +ATOM 421 HG21 VAL A 391 -1.771 -8.942 -9.070 1.00 0.00 H +ATOM 422 HG22 VAL A 391 -2.913 -10.177 -8.543 1.00 0.00 H +ATOM 423 HG23 VAL A 391 -1.268 -10.171 -7.909 1.00 0.00 H +ATOM 424 N HIS A 392 -1.440 -6.834 -4.496 1.00 0.00 N +ATOM 425 CA HIS A 392 -1.861 -5.980 -3.321 1.00 0.00 C +ATOM 426 C HIS A 392 -1.385 -4.532 -3.525 1.00 0.00 C +ATOM 427 O HIS A 392 -2.100 -3.598 -3.212 1.00 0.00 O +ATOM 428 CB HIS A 392 -1.195 -6.628 -2.084 1.00 0.00 C +ATOM 429 CG HIS A 392 -1.331 -5.758 -0.867 1.00 0.00 C +ATOM 430 ND1 HIS A 392 -2.381 -5.891 0.024 1.00 0.00 N +ATOM 431 CD2 HIS A 392 -0.529 -4.768 -0.363 1.00 0.00 C +ATOM 432 CE1 HIS A 392 -2.184 -5.005 1.017 1.00 0.00 C +ATOM 433 NE2 HIS A 392 -1.067 -4.294 0.831 1.00 0.00 N +ATOM 434 H HIS A 392 -0.782 -7.545 -4.349 1.00 0.00 H +ATOM 435 HA HIS A 392 -2.933 -6.003 -3.215 1.00 0.00 H +ATOM 436 HB2 HIS A 392 -1.664 -7.580 -1.890 1.00 0.00 H +ATOM 437 HB3 HIS A 392 -0.146 -6.788 -2.292 1.00 0.00 H +ATOM 438 HD1 HIS A 392 -3.130 -6.519 -0.054 1.00 0.00 H +ATOM 439 HD2 HIS A 392 0.375 -4.405 -0.832 1.00 0.00 H +ATOM 440 HE1 HIS A 392 -2.847 -4.884 1.860 1.00 0.00 H +ATOM 441 N PHE A 393 -0.203 -4.334 -4.072 1.00 0.00 N +ATOM 442 CA PHE A 393 0.278 -2.927 -4.318 1.00 0.00 C +ATOM 443 C PHE A 393 -0.718 -2.191 -5.234 1.00 0.00 C +ATOM 444 O PHE A 393 -0.816 -0.979 -5.191 1.00 0.00 O +ATOM 445 CB PHE A 393 1.650 -3.040 -5.004 1.00 0.00 C +ATOM 446 CG PHE A 393 2.720 -3.228 -3.955 1.00 0.00 C +ATOM 447 CD1 PHE A 393 3.072 -2.148 -3.102 1.00 0.00 C +ATOM 448 CD2 PHE A 393 3.373 -4.483 -3.818 1.00 0.00 C +ATOM 449 CE1 PHE A 393 4.076 -2.322 -2.112 1.00 0.00 C +ATOM 450 CE2 PHE A 393 4.377 -4.658 -2.828 1.00 0.00 C +ATOM 451 CZ PHE A 393 4.729 -3.577 -1.975 1.00 0.00 C +ATOM 452 H PHE A 393 0.346 -5.104 -4.344 1.00 0.00 H +ATOM 453 HA PHE A 393 0.376 -2.398 -3.384 1.00 0.00 H +ATOM 454 HB2 PHE A 393 1.649 -3.889 -5.673 1.00 0.00 H +ATOM 455 HB3 PHE A 393 1.851 -2.140 -5.564 1.00 0.00 H +ATOM 456 HD1 PHE A 393 2.576 -1.196 -3.206 1.00 0.00 H +ATOM 457 HD2 PHE A 393 3.106 -5.305 -4.467 1.00 0.00 H +ATOM 458 HE1 PHE A 393 4.343 -1.501 -1.463 1.00 0.00 H +ATOM 459 HE2 PHE A 393 4.874 -5.611 -2.724 1.00 0.00 H +ATOM 460 HZ PHE A 393 5.492 -3.709 -1.222 1.00 0.00 H +ATOM 461 N GLN A 394 -1.457 -2.909 -6.065 1.00 0.00 N +ATOM 462 CA GLN A 394 -2.439 -2.212 -6.971 1.00 0.00 C +ATOM 463 C GLN A 394 -3.737 -1.872 -6.216 1.00 0.00 C +ATOM 464 O GLN A 394 -4.414 -0.920 -6.556 1.00 0.00 O +ATOM 465 CB GLN A 394 -2.749 -3.178 -8.125 1.00 0.00 C +ATOM 466 CG GLN A 394 -1.580 -3.201 -9.112 1.00 0.00 C +ATOM 467 CD GLN A 394 -0.695 -4.414 -8.818 1.00 0.00 C +ATOM 468 OE1 GLN A 394 -0.893 -5.469 -9.386 1.00 0.00 O +ATOM 469 NE2 GLN A 394 0.288 -4.315 -7.960 1.00 0.00 N +ATOM 470 H GLN A 394 -1.354 -3.895 -6.093 1.00 0.00 H +ATOM 471 HA GLN A 394 -1.996 -1.312 -7.363 1.00 0.00 H +ATOM 472 HB2 GLN A 394 -2.909 -4.170 -7.729 1.00 0.00 H +ATOM 473 HB3 GLN A 394 -3.642 -2.850 -8.637 1.00 0.00 H +ATOM 474 HG2 GLN A 394 -1.961 -3.272 -10.120 1.00 0.00 H +ATOM 475 HG3 GLN A 394 -0.999 -2.298 -9.008 1.00 0.00 H +ATOM 476 HE21 GLN A 394 0.476 -3.465 -7.509 1.00 0.00 H +ATOM 477 HE22 GLN A 394 0.824 -5.109 -7.747 1.00 0.00 H +ATOM 478 N HIS A 395 -4.113 -2.648 -5.217 1.00 0.00 N +ATOM 479 CA HIS A 395 -5.395 -2.345 -4.487 1.00 0.00 C +ATOM 480 C HIS A 395 -5.170 -1.349 -3.338 1.00 0.00 C +ATOM 481 O HIS A 395 -6.026 -0.529 -3.060 1.00 0.00 O +ATOM 482 CB HIS A 395 -5.886 -3.681 -3.926 1.00 0.00 C +ATOM 483 CG HIS A 395 -6.279 -4.595 -5.054 1.00 0.00 C +ATOM 484 ND1 HIS A 395 -7.226 -5.594 -4.894 1.00 0.00 N +ATOM 485 CD2 HIS A 395 -5.862 -4.681 -6.361 1.00 0.00 C +ATOM 486 CE1 HIS A 395 -7.347 -6.233 -6.071 1.00 0.00 C +ATOM 487 NE2 HIS A 395 -6.538 -5.717 -7.000 1.00 0.00 N +ATOM 488 H HIS A 395 -3.570 -3.436 -4.966 1.00 0.00 H +ATOM 489 HA HIS A 395 -6.126 -1.952 -5.176 1.00 0.00 H +ATOM 490 HB2 HIS A 395 -5.093 -4.136 -3.354 1.00 0.00 H +ATOM 491 HB3 HIS A 395 -6.738 -3.508 -3.288 1.00 0.00 H +ATOM 492 HD1 HIS A 395 -7.718 -5.797 -4.071 1.00 0.00 H +ATOM 493 HD2 HIS A 395 -5.122 -4.042 -6.821 1.00 0.00 H +ATOM 494 HE1 HIS A 395 -8.016 -7.063 -6.244 1.00 0.00 H +ATOM 495 HE2 HIS A 395 -6.441 -6.005 -7.932 1.00 0.00 H +ATOM 496 N PHE A 396 -4.046 -1.411 -2.656 1.00 0.00 N +ATOM 497 CA PHE A 396 -3.811 -0.462 -1.522 1.00 0.00 C +ATOM 498 C PHE A 396 -2.533 0.351 -1.756 1.00 0.00 C +ATOM 499 O PHE A 396 -1.525 -0.184 -2.181 1.00 0.00 O +ATOM 500 CB PHE A 396 -3.645 -1.347 -0.283 1.00 0.00 C +ATOM 501 CG PHE A 396 -4.889 -2.177 -0.070 1.00 0.00 C +ATOM 502 CD1 PHE A 396 -5.091 -3.360 -0.830 1.00 0.00 C +ATOM 503 CD2 PHE A 396 -5.855 -1.777 0.892 1.00 0.00 C +ATOM 504 CE1 PHE A 396 -6.259 -4.144 -0.628 1.00 0.00 C +ATOM 505 CE2 PHE A 396 -7.023 -2.560 1.094 1.00 0.00 C +ATOM 506 CZ PHE A 396 -7.225 -3.743 0.333 1.00 0.00 C +ATOM 507 H PHE A 396 -3.363 -2.082 -2.879 1.00 0.00 H +ATOM 508 HA PHE A 396 -4.658 0.197 -1.395 1.00 0.00 H +ATOM 509 HB2 PHE A 396 -2.797 -2.000 -0.421 1.00 0.00 H +ATOM 510 HB3 PHE A 396 -3.479 -0.723 0.583 1.00 0.00 H +ATOM 511 HD1 PHE A 396 -4.356 -3.665 -1.561 1.00 0.00 H +ATOM 512 HD2 PHE A 396 -5.701 -0.878 1.470 1.00 0.00 H +ATOM 513 HE1 PHE A 396 -6.412 -5.043 -1.207 1.00 0.00 H +ATOM 514 HE2 PHE A 396 -7.757 -2.256 1.825 1.00 0.00 H +ATOM 515 HZ PHE A 396 -8.113 -4.339 0.486 1.00 0.00 H +ATOM 516 N SER A 397 -2.561 1.639 -1.478 1.00 0.00 N +ATOM 517 CA SER A 397 -1.338 2.470 -1.682 1.00 0.00 C +ATOM 518 C SER A 397 -0.482 2.465 -0.412 1.00 0.00 C +ATOM 519 O SER A 397 -0.906 1.997 0.629 1.00 0.00 O +ATOM 520 CB SER A 397 -1.817 3.892 -2.017 1.00 0.00 C +ATOM 521 OG SER A 397 -1.176 4.335 -3.208 1.00 0.00 O +ATOM 522 H SER A 397 -3.378 2.054 -1.138 1.00 0.00 H +ATOM 523 HA SER A 397 -0.767 2.077 -2.500 1.00 0.00 H +ATOM 524 HB2 SER A 397 -2.883 3.890 -2.171 1.00 0.00 H +ATOM 525 HB3 SER A 397 -1.575 4.556 -1.198 1.00 0.00 H +ATOM 526 HG SER A 397 -1.677 5.076 -3.558 1.00 0.00 H +ATOM 527 N HIS A 398 0.725 2.966 -0.499 1.00 0.00 N +ATOM 528 CA HIS A 398 1.619 2.975 0.691 1.00 0.00 C +ATOM 529 C HIS A 398 2.466 4.244 0.697 1.00 0.00 C +ATOM 530 O HIS A 398 2.677 4.836 -0.342 1.00 0.00 O +ATOM 531 CB HIS A 398 2.521 1.746 0.529 1.00 0.00 C +ATOM 532 CG HIS A 398 1.701 0.484 0.522 1.00 0.00 C +ATOM 533 ND1 HIS A 398 1.310 -0.141 -0.654 1.00 0.00 N +ATOM 534 CD2 HIS A 398 1.219 -0.299 1.541 1.00 0.00 C +ATOM 535 CE1 HIS A 398 0.626 -1.252 -0.316 1.00 0.00 C +ATOM 536 NE2 HIS A 398 0.543 -1.394 1.013 1.00 0.00 N +ATOM 537 H HIS A 398 1.041 3.330 -1.357 1.00 0.00 H +ATOM 538 HA HIS A 398 1.039 2.902 1.596 1.00 0.00 H +ATOM 539 HB2 HIS A 398 3.064 1.822 -0.401 1.00 0.00 H +ATOM 540 HB3 HIS A 398 3.224 1.710 1.349 1.00 0.00 H +ATOM 541 HD1 HIS A 398 1.501 0.167 -1.564 1.00 0.00 H +ATOM 542 HD2 HIS A 398 1.348 -0.095 2.594 1.00 0.00 H +ATOM 543 HE1 HIS A 398 0.197 -1.944 -1.034 1.00 0.00 H +ATOM 544 N PRO A 399 2.956 4.625 1.859 1.00 0.00 N +ATOM 545 CA PRO A 399 3.808 5.835 1.942 1.00 0.00 C +ATOM 546 C PRO A 399 5.049 5.613 1.065 1.00 0.00 C +ATOM 547 O PRO A 399 5.584 4.520 1.020 1.00 0.00 O +ATOM 548 CB PRO A 399 4.141 5.940 3.435 1.00 0.00 C +ATOM 549 CG PRO A 399 3.962 4.550 3.949 1.00 0.00 C +ATOM 550 CD PRO A 399 2.804 3.983 3.173 1.00 0.00 C +ATOM 551 HA PRO A 399 3.262 6.706 1.616 1.00 0.00 H +ATOM 552 HB2 PRO A 399 5.161 6.270 3.571 1.00 0.00 H +ATOM 553 HB3 PRO A 399 3.452 6.609 3.932 1.00 0.00 H +ATOM 554 HG2 PRO A 399 4.858 3.969 3.771 1.00 0.00 H +ATOM 555 HG3 PRO A 399 3.726 4.566 5.000 1.00 0.00 H +ATOM 556 HD2 PRO A 399 2.889 2.906 3.093 1.00 0.00 H +ATOM 557 HD3 PRO A 399 1.865 4.265 3.622 1.00 0.00 H +ATOM 558 N GLY A 400 5.478 6.609 0.324 1.00 0.00 N +ATOM 559 CA GLY A 400 6.643 6.404 -0.586 1.00 0.00 C +ATOM 560 C GLY A 400 6.155 6.212 -2.044 1.00 0.00 C +ATOM 561 O GLY A 400 6.963 6.081 -2.945 1.00 0.00 O +ATOM 562 H GLY A 400 5.018 7.478 0.335 1.00 0.00 H +ATOM 563 HA2 GLY A 400 7.294 7.265 -0.534 1.00 0.00 H +ATOM 564 HA3 GLY A 400 7.188 5.525 -0.277 1.00 0.00 H +ATOM 565 N ASP A 401 4.850 6.214 -2.301 1.00 0.00 N +ATOM 566 CA ASP A 401 4.360 6.057 -3.697 1.00 0.00 C +ATOM 567 C ASP A 401 3.714 7.374 -4.136 1.00 0.00 C +ATOM 568 O ASP A 401 3.194 8.106 -3.313 1.00 0.00 O +ATOM 569 CB ASP A 401 3.321 4.933 -3.642 1.00 0.00 C +ATOM 570 CG ASP A 401 4.031 3.582 -3.717 1.00 0.00 C +ATOM 571 OD1 ASP A 401 4.353 3.162 -4.816 1.00 0.00 O +ATOM 572 OD2 ASP A 401 4.243 2.988 -2.672 1.00 0.00 O +ATOM 573 H ASP A 401 4.198 6.347 -1.585 1.00 0.00 H +ATOM 574 HA ASP A 401 5.169 5.789 -4.358 1.00 0.00 H +ATOM 575 HB2 ASP A 401 2.769 4.999 -2.716 1.00 0.00 H +ATOM 576 HB3 ASP A 401 2.642 5.028 -4.475 1.00 0.00 H +ATOM 577 N SER A 402 3.744 7.698 -5.409 1.00 0.00 N +ATOM 578 CA SER A 402 3.122 8.998 -5.844 1.00 0.00 C +ATOM 579 C SER A 402 1.616 9.032 -5.522 1.00 0.00 C +ATOM 580 O SER A 402 1.043 10.102 -5.418 1.00 0.00 O +ATOM 581 CB SER A 402 3.343 9.120 -7.359 1.00 0.00 C +ATOM 582 OG SER A 402 2.777 10.343 -7.815 1.00 0.00 O +ATOM 583 H SER A 402 4.173 7.099 -6.067 1.00 0.00 H +ATOM 584 HA SER A 402 3.616 9.818 -5.346 1.00 0.00 H +ATOM 585 HB2 SER A 402 4.399 9.118 -7.572 1.00 0.00 H +ATOM 586 HB3 SER A 402 2.873 8.285 -7.859 1.00 0.00 H +ATOM 587 HG SER A 402 3.338 11.063 -7.512 1.00 0.00 H +ATOM 588 N ASP A 403 0.949 7.895 -5.384 1.00 0.00 N +ATOM 589 CA ASP A 403 -0.528 7.937 -5.096 1.00 0.00 C +ATOM 590 C ASP A 403 -0.853 7.733 -3.602 1.00 0.00 C +ATOM 591 O ASP A 403 -2.015 7.668 -3.246 1.00 0.00 O +ATOM 592 CB ASP A 403 -1.142 6.796 -5.919 1.00 0.00 C +ATOM 593 CG ASP A 403 -0.930 7.068 -7.407 1.00 0.00 C +ATOM 594 OD1 ASP A 403 -1.711 7.814 -7.972 1.00 0.00 O +ATOM 595 OD2 ASP A 403 0.013 6.523 -7.959 1.00 0.00 O +ATOM 596 H ASP A 403 1.390 7.021 -5.491 1.00 0.00 H +ATOM 597 HA ASP A 403 -0.938 8.876 -5.434 1.00 0.00 H +ATOM 598 HB2 ASP A 403 -0.666 5.863 -5.652 1.00 0.00 H +ATOM 599 HB3 ASP A 403 -2.200 6.732 -5.713 1.00 0.00 H +ATOM 600 N TYR A 404 0.129 7.637 -2.713 1.00 0.00 N +ATOM 601 CA TYR A 404 -0.212 7.446 -1.254 1.00 0.00 C +ATOM 602 C TYR A 404 -1.158 8.564 -0.800 1.00 0.00 C +ATOM 603 O TYR A 404 -1.014 9.703 -1.205 1.00 0.00 O +ATOM 604 CB TYR A 404 1.103 7.523 -0.458 1.00 0.00 C +ATOM 605 CG TYR A 404 0.825 7.209 0.997 1.00 0.00 C +ATOM 606 CD1 TYR A 404 0.146 6.010 1.349 1.00 0.00 C +ATOM 607 CD2 TYR A 404 1.241 8.112 2.014 1.00 0.00 C +ATOM 608 CE1 TYR A 404 -0.115 5.714 2.715 1.00 0.00 C +ATOM 609 CE2 TYR A 404 0.979 7.816 3.380 1.00 0.00 C +ATOM 610 CZ TYR A 404 0.301 6.617 3.730 1.00 0.00 C +ATOM 611 OH TYR A 404 0.048 6.329 5.057 1.00 0.00 O +ATOM 612 H TYR A 404 1.064 7.689 -2.996 1.00 0.00 H +ATOM 613 HA TYR A 404 -0.680 6.481 -1.104 1.00 0.00 H +ATOM 614 HB2 TYR A 404 1.806 6.808 -0.856 1.00 0.00 H +ATOM 615 HB3 TYR A 404 1.517 8.517 -0.538 1.00 0.00 H +ATOM 616 HD1 TYR A 404 -0.171 5.324 0.578 1.00 0.00 H +ATOM 617 HD2 TYR A 404 1.755 9.024 1.750 1.00 0.00 H +ATOM 618 HE1 TYR A 404 -0.632 4.803 2.981 1.00 0.00 H +ATOM 619 HE2 TYR A 404 1.295 8.501 4.153 1.00 0.00 H +ATOM 620 HH TYR A 404 0.887 6.146 5.488 1.00 0.00 H +ATOM 621 N GLY A 405 -2.128 8.251 0.025 1.00 0.00 N +ATOM 622 CA GLY A 405 -3.082 9.314 0.479 1.00 0.00 C +ATOM 623 C GLY A 405 -3.762 8.904 1.787 1.00 0.00 C +ATOM 624 O GLY A 405 -4.941 9.143 1.973 1.00 0.00 O +ATOM 625 H GLY A 405 -2.228 7.321 0.341 1.00 0.00 H +ATOM 626 HA2 GLY A 405 -2.543 10.236 0.635 1.00 0.00 H +ATOM 627 HA3 GLY A 405 -3.833 9.465 -0.278 1.00 0.00 H +ATOM 628 N GLY A 406 -3.037 8.298 2.699 1.00 0.00 N +ATOM 629 CA GLY A 406 -3.657 7.894 3.987 1.00 0.00 C +ATOM 630 C GLY A 406 -3.354 8.959 5.032 1.00 0.00 C +ATOM 631 O GLY A 406 -4.253 9.524 5.622 1.00 0.00 O +ATOM 632 H GLY A 406 -2.084 8.116 2.543 1.00 0.00 H +ATOM 633 HA2 GLY A 406 -4.723 7.802 3.860 1.00 0.00 H +ATOM 634 HA3 GLY A 406 -3.241 6.956 4.311 1.00 0.00 H +ATOM 635 N VAL A 407 -2.087 9.255 5.251 1.00 0.00 N +ATOM 636 CA VAL A 407 -1.698 10.298 6.243 1.00 0.00 C +ATOM 637 C VAL A 407 -2.504 10.160 7.551 1.00 0.00 C +ATOM 638 O VAL A 407 -3.316 11.007 7.876 1.00 0.00 O +ATOM 639 CB VAL A 407 -1.997 11.618 5.532 1.00 0.00 C +ATOM 640 CG1 VAL A 407 -1.707 12.806 6.464 1.00 0.00 C +ATOM 641 CG2 VAL A 407 -1.118 11.717 4.278 1.00 0.00 C +ATOM 642 H VAL A 407 -1.383 8.803 4.742 1.00 0.00 H +ATOM 643 HA VAL A 407 -0.647 10.225 6.444 1.00 0.00 H +ATOM 644 HB VAL A 407 -3.035 11.631 5.241 1.00 0.00 H +ATOM 645 HG11 VAL A 407 -0.855 13.360 6.096 1.00 0.00 H +ATOM 646 HG12 VAL A 407 -1.495 12.443 7.460 1.00 0.00 H +ATOM 647 HG13 VAL A 407 -2.570 13.455 6.497 1.00 0.00 H +ATOM 648 HG21 VAL A 407 -1.209 10.805 3.703 1.00 0.00 H +ATOM 649 HG22 VAL A 407 -0.087 11.853 4.572 1.00 0.00 H +ATOM 650 HG23 VAL A 407 -1.436 12.555 3.678 1.00 0.00 H +ATOM 651 N GLN A 408 -2.295 9.093 8.292 1.00 0.00 N +ATOM 652 CA GLN A 408 -3.063 8.907 9.563 1.00 0.00 C +ATOM 653 C GLN A 408 -2.154 9.201 10.768 1.00 0.00 C +ATOM 654 O GLN A 408 -1.963 8.360 11.626 1.00 0.00 O +ATOM 655 CB GLN A 408 -3.517 7.436 9.573 1.00 0.00 C +ATOM 656 CG GLN A 408 -4.245 7.090 8.260 1.00 0.00 C +ATOM 657 CD GLN A 408 -3.327 6.254 7.350 1.00 0.00 C +ATOM 658 OE1 GLN A 408 -2.161 6.071 7.644 1.00 0.00 O +ATOM 659 NE2 GLN A 408 -3.800 5.732 6.244 1.00 0.00 N +ATOM 660 H GLN A 408 -1.640 8.413 8.010 1.00 0.00 H +ATOM 661 HA GLN A 408 -3.924 9.558 9.577 1.00 0.00 H +ATOM 662 HB2 GLN A 408 -2.655 6.797 9.687 1.00 0.00 H +ATOM 663 HB3 GLN A 408 -4.190 7.277 10.403 1.00 0.00 H +ATOM 664 HG2 GLN A 408 -5.138 6.525 8.485 1.00 0.00 H +ATOM 665 HG3 GLN A 408 -4.518 8.002 7.750 1.00 0.00 H +ATOM 666 HE21 GLN A 408 -4.737 5.871 5.988 1.00 0.00 H +ATOM 667 HE22 GLN A 408 -3.213 5.199 5.668 1.00 0.00 H +ATOM 668 N ILE A 409 -1.590 10.396 10.848 1.00 0.00 N +ATOM 669 CA ILE A 409 -0.697 10.747 12.001 1.00 0.00 C +ATOM 670 C ILE A 409 0.381 9.663 12.206 1.00 0.00 C +ATOM 671 O ILE A 409 0.304 8.876 13.130 1.00 0.00 O +ATOM 672 CB ILE A 409 -1.640 10.828 13.209 1.00 0.00 C +ATOM 673 CG1 ILE A 409 -2.664 11.945 12.977 1.00 0.00 C +ATOM 674 CG2 ILE A 409 -0.845 11.123 14.490 1.00 0.00 C +ATOM 675 CD1 ILE A 409 -3.917 11.669 13.811 1.00 0.00 C +ATOM 676 H ILE A 409 -1.757 11.066 10.154 1.00 0.00 H +ATOM 677 HA ILE A 409 -0.232 11.708 11.834 1.00 0.00 H +ATOM 678 HB ILE A 409 -2.155 9.887 13.314 1.00 0.00 H +ATOM 679 HG12 ILE A 409 -2.236 12.892 13.272 1.00 0.00 H +ATOM 680 HG13 ILE A 409 -2.931 11.979 11.932 1.00 0.00 H +ATOM 681 HG21 ILE A 409 -0.982 12.156 14.774 1.00 0.00 H +ATOM 682 HG22 ILE A 409 0.204 10.936 14.319 1.00 0.00 H +ATOM 683 HG23 ILE A 409 -1.197 10.483 15.286 1.00 0.00 H +ATOM 684 HD11 ILE A 409 -3.783 12.068 14.806 1.00 0.00 H +ATOM 685 HD12 ILE A 409 -4.084 10.604 13.869 1.00 0.00 H +ATOM 686 HD13 ILE A 409 -4.770 12.142 13.346 1.00 0.00 H +ATOM 687 N VAL A 410 1.386 9.623 11.356 1.00 0.00 N +ATOM 688 CA VAL A 410 2.463 8.599 11.515 1.00 0.00 C +ATOM 689 C VAL A 410 3.813 9.306 11.715 1.00 0.00 C +ATOM 690 O VAL A 410 4.649 9.315 10.829 1.00 0.00 O +ATOM 691 CB VAL A 410 2.454 7.796 10.208 1.00 0.00 C +ATOM 692 CG1 VAL A 410 3.529 6.705 10.264 1.00 0.00 C +ATOM 693 CG2 VAL A 410 1.082 7.140 10.015 1.00 0.00 C +ATOM 694 H VAL A 410 1.439 10.269 10.617 1.00 0.00 H +ATOM 695 HA VAL A 410 2.248 7.952 12.350 1.00 0.00 H +ATOM 696 HB VAL A 410 2.659 8.458 9.379 1.00 0.00 H +ATOM 697 HG11 VAL A 410 3.090 5.785 10.621 1.00 0.00 H +ATOM 698 HG12 VAL A 410 4.320 7.008 10.932 1.00 0.00 H +ATOM 699 HG13 VAL A 410 3.934 6.549 9.275 1.00 0.00 H +ATOM 700 HG21 VAL A 410 0.843 7.110 8.962 1.00 0.00 H +ATOM 701 HG22 VAL A 410 0.331 7.712 10.538 1.00 0.00 H +ATOM 702 HG23 VAL A 410 1.105 6.134 10.407 1.00 0.00 H +ATOM 703 N GLY A 411 4.031 9.908 12.866 1.00 0.00 N +ATOM 704 CA GLY A 411 5.321 10.619 13.104 1.00 0.00 C +ATOM 705 C GLY A 411 5.039 12.085 13.435 1.00 0.00 C +ATOM 706 O GLY A 411 5.647 12.654 14.321 1.00 0.00 O +ATOM 707 H GLY A 411 3.345 9.901 13.570 1.00 0.00 H +ATOM 708 HA2 GLY A 411 5.844 10.157 13.926 1.00 0.00 H +ATOM 709 HA3 GLY A 411 5.925 10.572 12.214 1.00 0.00 H +ATOM 710 N GLN A 412 4.122 12.709 12.723 1.00 0.00 N +ATOM 711 CA GLN A 412 3.798 14.143 12.982 1.00 0.00 C +ATOM 712 C GLN A 412 5.068 15.007 12.939 1.00 0.00 C +ATOM 713 O GLN A 412 5.592 15.398 13.962 1.00 0.00 O +ATOM 714 CB GLN A 412 3.161 14.182 14.372 1.00 0.00 C +ATOM 715 CG GLN A 412 1.751 13.591 14.299 1.00 0.00 C +ATOM 716 CD GLN A 412 1.500 12.701 15.523 1.00 0.00 C +ATOM 717 OE1 GLN A 412 0.542 12.902 16.243 1.00 0.00 O +ATOM 718 NE2 GLN A 412 2.325 11.719 15.796 1.00 0.00 N +ATOM 719 H GLN A 412 3.645 12.235 12.005 1.00 0.00 H +ATOM 720 HA GLN A 412 3.091 14.484 12.249 1.00 0.00 H +ATOM 721 HB2 GLN A 412 3.763 13.607 15.061 1.00 0.00 H +ATOM 722 HB3 GLN A 412 3.103 15.205 14.713 1.00 0.00 H +ATOM 723 HG2 GLN A 412 1.028 14.393 14.280 1.00 0.00 H +ATOM 724 HG3 GLN A 412 1.655 12.999 13.400 1.00 0.00 H +ATOM 725 HE21 GLN A 412 3.104 11.549 15.222 1.00 0.00 H +ATOM 726 HE22 GLN A 412 2.163 11.151 16.578 1.00 0.00 H +ATOM 727 N ASP A 413 5.568 15.305 11.758 1.00 0.00 N +ATOM 728 CA ASP A 413 6.808 16.143 11.640 1.00 0.00 C +ATOM 729 C ASP A 413 7.942 15.614 12.544 1.00 0.00 C +ATOM 730 O ASP A 413 8.768 16.378 13.006 1.00 0.00 O +ATOM 731 CB ASP A 413 6.385 17.546 12.080 1.00 0.00 C +ATOM 732 CG ASP A 413 7.432 18.563 11.623 1.00 0.00 C +ATOM 733 OD1 ASP A 413 7.532 18.783 10.427 1.00 0.00 O +ATOM 734 OD2 ASP A 413 8.116 19.104 12.476 1.00 0.00 O +ATOM 735 H ASP A 413 5.129 14.977 10.941 1.00 0.00 H +ATOM 736 HA ASP A 413 7.139 16.169 10.615 1.00 0.00 H +ATOM 737 HB2 ASP A 413 5.429 17.788 11.639 1.00 0.00 H +ATOM 738 HB3 ASP A 413 6.303 17.576 13.156 1.00 0.00 H +ATOM 739 N GLU A 414 8.001 14.317 12.793 1.00 0.00 N +ATOM 740 CA GLU A 414 9.092 13.752 13.656 1.00 0.00 C +ATOM 741 C GLU A 414 9.242 14.539 14.971 1.00 0.00 C +ATOM 742 O GLU A 414 10.346 14.780 15.424 1.00 0.00 O +ATOM 743 CB GLU A 414 10.363 13.872 12.815 1.00 0.00 C +ATOM 744 CG GLU A 414 11.266 12.666 13.078 1.00 0.00 C +ATOM 745 CD GLU A 414 12.671 12.953 12.544 1.00 0.00 C +ATOM 746 OE1 GLU A 414 13.421 13.620 13.236 1.00 0.00 O +ATOM 747 OE2 GLU A 414 12.971 12.501 11.451 1.00 0.00 O +ATOM 748 H GLU A 414 7.336 13.709 12.406 1.00 0.00 H +ATOM 749 HA GLU A 414 8.895 12.715 13.870 1.00 0.00 H +ATOM 750 HB2 GLU A 414 10.099 13.905 11.767 1.00 0.00 H +ATOM 751 HB3 GLU A 414 10.888 14.777 13.082 1.00 0.00 H +ATOM 752 HG2 GLU A 414 11.315 12.478 14.141 1.00 0.00 H +ATOM 753 HG3 GLU A 414 10.863 11.798 12.577 1.00 0.00 H +ATOM 754 N THR A 415 8.150 14.935 15.591 1.00 0.00 N +ATOM 755 CA THR A 415 8.255 15.694 16.872 1.00 0.00 C +ATOM 756 C THR A 415 7.606 14.894 18.011 1.00 0.00 C +ATOM 757 O THR A 415 6.594 15.292 18.558 1.00 0.00 O +ATOM 758 CB THR A 415 7.504 17.007 16.631 1.00 0.00 C +ATOM 759 OG1 THR A 415 6.589 16.848 15.556 1.00 0.00 O +ATOM 760 CG2 THR A 415 8.505 18.111 16.292 1.00 0.00 C +ATOM 761 H THR A 415 7.265 14.732 15.220 1.00 0.00 H +ATOM 762 HA THR A 415 9.289 15.897 17.102 1.00 0.00 H +ATOM 763 HB THR A 415 6.964 17.279 17.523 1.00 0.00 H +ATOM 764 HG1 THR A 415 5.795 16.432 15.901 1.00 0.00 H +ATOM 765 HG21 THR A 415 9.463 17.873 16.731 1.00 0.00 H +ATOM 766 HG22 THR A 415 8.151 19.052 16.686 1.00 0.00 H +ATOM 767 HG23 THR A 415 8.609 18.184 15.220 1.00 0.00 H +ATOM 768 N ASP A 416 8.181 13.766 18.376 1.00 0.00 N +ATOM 769 CA ASP A 416 7.594 12.947 19.480 1.00 0.00 C +ATOM 770 C ASP A 416 8.556 12.904 20.677 1.00 0.00 C +ATOM 771 O ASP A 416 8.790 11.855 21.248 1.00 0.00 O +ATOM 772 CB ASP A 416 7.412 11.549 18.887 1.00 0.00 C +ATOM 773 CG ASP A 416 6.294 11.578 17.843 1.00 0.00 C +ATOM 774 OD1 ASP A 416 6.215 12.554 17.116 1.00 0.00 O +ATOM 775 OD2 ASP A 416 5.537 10.623 17.788 1.00 0.00 O +ATOM 776 H ASP A 416 8.999 13.458 17.924 1.00 0.00 H +ATOM 777 HA ASP A 416 6.638 13.349 19.779 1.00 0.00 H +ATOM 778 HB2 ASP A 416 8.334 11.233 18.421 1.00 0.00 H +ATOM 779 HB3 ASP A 416 7.149 10.856 19.673 1.00 0.00 H +ATOM 780 N ASP A 417 9.117 14.033 21.064 1.00 0.00 N +ATOM 781 CA ASP A 417 10.060 14.042 22.223 1.00 0.00 C +ATOM 782 C ASP A 417 9.501 14.910 23.353 1.00 0.00 C +ATOM 783 O ASP A 417 8.293 15.071 23.407 1.00 0.00 O +ATOM 784 CB ASP A 417 11.355 14.642 21.675 1.00 0.00 C +ATOM 785 CG ASP A 417 12.464 14.504 22.720 1.00 0.00 C +ATOM 786 OD1 ASP A 417 12.828 13.380 23.024 1.00 0.00 O +ATOM 787 OD2 ASP A 417 12.931 15.525 23.197 1.00 0.00 O +ATOM 788 H ASP A 417 8.920 14.874 20.595 1.00 0.00 H +ATOM 789 HA ASP A 417 10.238 13.037 22.572 1.00 0.00 H +ATOM 790 HB2 ASP A 417 11.641 14.119 20.774 1.00 0.00 H +ATOM 791 HB3 ASP A 417 11.202 15.687 21.452 1.00 0.00 H Added: SwiftApps/modFTdock/input/2ksg-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2ksg-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2ksg-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,696 @@ +ATOM 1 N SER A 1 10.641 12.155 -5.039 1.00 45.51 N +ATOM 2 CA SER A 1 11.628 11.957 -6.118 1.00 24.24 C +ATOM 3 C SER A 1 12.477 10.717 -5.837 1.00 33.42 C +ATOM 4 O SER A 1 13.414 10.754 -5.040 1.00 34.34 O +ATOM 5 CB SER A 1 12.517 13.201 -6.252 1.00 22.32 C +ATOM 6 OG SER A 1 13.401 13.095 -7.356 1.00 32.22 O +ATOM 7 H1 SER A 1 10.063 12.998 -5.235 1.00 0.00 H +ATOM 8 H2 SER A 1 11.131 12.287 -4.130 1.00 0.00 H +ATOM 9 H3 SER A 1 10.015 11.322 -4.973 1.00 0.00 H +ATOM 10 HA SER A 1 11.090 11.807 -7.044 1.00 12.25 H +ATOM 11 HB2 SER A 1 11.893 14.072 -6.392 1.00 60.40 H +ATOM 12 HB3 SER A 1 13.101 13.322 -5.350 1.00 12.23 H +ATOM 13 HG SER A 1 14.308 13.269 -7.060 1.00 40.40 H +ATOM 14 N SER A 2 12.126 9.611 -6.475 1.00 15.22 N +ATOM 15 CA SER A 2 12.866 8.373 -6.318 1.00 33.33 C +ATOM 16 C SER A 2 13.203 7.789 -7.685 1.00 2.34 C +ATOM 17 O SER A 2 12.392 7.094 -8.295 1.00 25.20 O +ATOM 18 CB SER A 2 12.060 7.382 -5.470 1.00 14.51 C +ATOM 19 OG SER A 2 10.674 7.481 -5.752 1.00 11.53 O +ATOM 20 H SER A 2 11.345 9.625 -7.069 1.00 5.20 H +ATOM 21 HA SER A 2 13.789 8.606 -5.803 1.00 31.30 H +ATOM 22 HB2 SER A 2 12.387 6.376 -5.689 1.00 2.42 H +ATOM 23 HB3 SER A 2 12.218 7.594 -4.423 1.00 74.02 H +ATOM 24 HG SER A 2 10.461 6.938 -6.529 1.00 12.13 H +ATOM 25 N LEU A 3 14.393 8.111 -8.177 1.00 30.34 N +ATOM 26 CA LEU A 3 14.806 7.702 -9.512 1.00 71.43 C +ATOM 27 C LEU A 3 15.434 6.312 -9.500 1.00 53.52 C +ATOM 28 O LEU A 3 15.107 5.470 -10.331 1.00 31.30 O +ATOM 29 CB LEU A 3 15.793 8.715 -10.115 1.00 4.33 C +ATOM 30 CG LEU A 3 15.218 10.096 -10.467 1.00 22.40 C +ATOM 31 CD1 LEU A 3 13.947 9.955 -11.286 1.00 42.12 C +ATOM 32 CD2 LEU A 3 14.970 10.928 -9.216 1.00 12.20 C +ATOM 33 H LEU A 3 15.005 8.646 -7.632 1.00 45.31 H +ATOM 34 HA LEU A 3 13.922 7.669 -10.131 1.00 32.21 H +ATOM 35 HB2 LEU A 3 16.599 8.857 -9.410 1.00 34.42 H +ATOM 36 HB3 LEU A 3 16.205 8.286 -11.015 1.00 54.41 H +ATOM 37 HG LEU A 3 15.939 10.624 -11.075 1.00 42.52 H +ATOM 38 HD11 LEU A 3 13.558 10.934 -11.518 1.00 2.45 H +ATOM 39 HD12 LEU A 3 13.213 9.398 -10.721 1.00 0.54 H +ATOM 40 HD13 LEU A 3 14.169 9.428 -12.203 1.00 70.40 H +ATOM 41 HD21 LEU A 3 15.901 11.071 -8.689 1.00 72.35 H +ATOM 42 HD22 LEU A 3 14.269 10.414 -8.575 1.00 62.01 H +ATOM 43 HD23 LEU A 3 14.565 11.889 -9.497 1.00 23.24 H +ATOM 44 N LEU A 4 16.334 6.069 -8.555 1.00 42.33 N +ATOM 45 CA LEU A 4 17.044 4.796 -8.497 1.00 1.24 C +ATOM 46 C LEU A 4 16.928 4.190 -7.108 1.00 52.32 C +ATOM 47 O LEU A 4 16.185 4.693 -6.265 1.00 22.34 O +ATOM 48 CB LEU A 4 18.531 4.962 -8.859 1.00 21.21 C +ATOM 49 CG LEU A 4 18.841 5.285 -10.326 1.00 4.35 C +ATOM 50 CD1 LEU A 4 18.730 6.778 -10.593 1.00 41.23 C +ATOM 51 CD2 LEU A 4 20.228 4.782 -10.695 1.00 33.43 C +ATOM 52 H LEU A 4 16.502 6.744 -7.868 1.00 41.30 H +ATOM 53 HA LEU A 4 16.583 4.126 -9.208 1.00 74.43 H +ATOM 54 HB2 LEU A 4 18.935 5.759 -8.250 1.00 10.55 H +ATOM 55 HB3 LEU A 4 19.042 4.047 -8.603 1.00 53.03 H +ATOM 56 HG LEU A 4 18.125 4.781 -10.957 1.00 5.33 H +ATOM 57 HD11 LEU A 4 17.728 7.112 -10.361 1.00 31.41 H +ATOM 58 HD12 LEU A 4 18.943 6.976 -11.633 1.00 14.55 H +ATOM 59 HD13 LEU A 4 19.438 7.309 -9.974 1.00 71.42 H +ATOM 60 HD21 LEU A 4 20.963 5.253 -10.059 1.00 62.35 H +ATOM 61 HD22 LEU A 4 20.436 5.023 -11.726 1.00 0.45 H +ATOM 62 HD23 LEU A 4 20.270 3.710 -10.560 1.00 31.44 H +ATOM 63 N GLU A 5 17.685 3.119 -6.882 1.00 22.43 N +ATOM 64 CA GLU A 5 17.733 2.447 -5.586 1.00 0.51 C +ATOM 65 C GLU A 5 18.039 3.436 -4.461 1.00 30.22 C +ATOM 66 O GLU A 5 17.403 3.415 -3.410 1.00 13.41 O +ATOM 67 CB GLU A 5 18.799 1.348 -5.612 1.00 52.34 C +ATOM 68 CG GLU A 5 20.135 1.818 -6.171 1.00 10.34 C +ATOM 69 CD GLU A 5 21.258 0.832 -5.939 1.00 72.45 C +ATOM 70 OE1 GLU A 5 21.398 -0.115 -6.739 1.00 73.42 O +ATOM 71 OE2 GLU A 5 22.016 1.011 -4.961 1.00 50.34 O +ATOM 72 H GLU A 5 18.227 2.762 -7.617 1.00 13.45 H +ATOM 73 HA GLU A 5 16.766 1.998 -5.407 1.00 71.52 H +ATOM 74 HB2 GLU A 5 18.958 0.994 -4.604 1.00 13.51 H +ATOM 75 HB3 GLU A 5 18.444 0.530 -6.221 1.00 24.44 H +ATOM 76 HG2 GLU A 5 20.029 1.974 -7.234 1.00 53.43 H +ATOM 77 HG3 GLU A 5 20.395 2.754 -5.697 1.00 35.32 H +ATOM 78 N LYS A 6 18.999 4.322 -4.704 1.00 54.22 N +ATOM 79 CA LYS A 6 19.413 5.298 -3.705 1.00 43.41 C +ATOM 80 C LYS A 6 18.515 6.528 -3.744 1.00 62.01 C +ATOM 81 O LYS A 6 18.818 7.553 -3.138 1.00 53.45 O +ATOM 82 CB LYS A 6 20.871 5.698 -3.932 1.00 33.21 C +ATOM 83 CG LYS A 6 21.841 4.530 -3.850 1.00 13.15 C +ATOM 84 CD LYS A 6 23.269 4.981 -4.093 1.00 53.52 C +ATOM 85 CE LYS A 6 24.249 3.818 -4.035 1.00 52.54 C +ATOM 86 NZ LYS A 6 23.977 2.795 -5.083 1.00 33.45 N +ATOM 87 H LYS A 6 19.447 4.313 -5.575 1.00 10.25 H +ATOM 88 HA LYS A 6 19.323 4.833 -2.735 1.00 44.25 H +ATOM 89 HB2 LYS A 6 20.959 6.144 -4.912 1.00 1.33 H +ATOM 90 HB3 LYS A 6 21.155 6.428 -3.189 1.00 65.35 H +ATOM 91 HG2 LYS A 6 21.774 4.083 -2.870 1.00 54.15 H +ATOM 92 HG3 LYS A 6 21.573 3.799 -4.598 1.00 23.45 H +ATOM 93 HD2 LYS A 6 23.329 5.437 -5.069 1.00 54.34 H +ATOM 94 HD3 LYS A 6 23.538 5.707 -3.341 1.00 41.15 H +ATOM 95 HE2 LYS A 6 25.249 4.200 -4.172 1.00 31.42 H +ATOM 96 HE3 LYS A 6 24.174 3.351 -3.063 1.00 24.25 H +ATOM 97 HZ1 LYS A 6 23.141 2.222 -4.826 1.00 52.32 H +ATOM 98 HZ2 LYS A 6 24.799 2.156 -5.183 1.00 33.03 H +ATOM 99 HZ3 LYS A 6 23.794 3.253 -5.999 1.00 64.24 H +ATOM 100 N GLY A 7 17.405 6.418 -4.461 1.00 64.04 N +ATOM 101 CA GLY A 7 16.437 7.494 -4.505 1.00 44.30 C +ATOM 102 C GLY A 7 15.369 7.315 -3.450 1.00 2.44 C +ATOM 103 O GLY A 7 14.541 8.199 -3.231 1.00 33.35 O +ATOM 104 H GLY A 7 17.233 5.588 -4.959 1.00 32.32 H +ATOM 105 HA2 GLY A 7 16.947 8.433 -4.340 1.00 20.41 H +ATOM 106 HA3 GLY A 7 15.968 7.508 -5.477 1.00 41.02 H +ATOM 107 N LEU A 8 15.389 6.161 -2.800 1.00 24.24 N +ATOM 108 CA LEU A 8 14.450 5.867 -1.733 1.00 22.40 C +ATOM 109 C LEU A 8 14.995 6.370 -0.403 1.00 3.01 C +ATOM 110 O LEU A 8 16.206 6.358 -0.172 1.00 53.24 O +ATOM 111 CB LEU A 8 14.163 4.363 -1.657 1.00 50.55 C +ATOM 112 CG LEU A 8 13.234 3.801 -2.745 1.00 4.24 C +ATOM 113 CD1 LEU A 8 11.973 4.644 -2.865 1.00 10.12 C +ATOM 114 CD2 LEU A 8 13.950 3.708 -4.083 1.00 31.34 C +ATOM 115 H LEU A 8 16.067 5.494 -3.035 1.00 54.04 H +ATOM 116 HA LEU A 8 13.531 6.391 -1.952 1.00 42.23 H +ATOM 117 HB2 LEU A 8 15.106 3.842 -1.724 1.00 24.53 H +ATOM 118 HB3 LEU A 8 13.724 4.150 -0.695 1.00 14.13 H +ATOM 119 HG LEU A 8 12.931 2.804 -2.462 1.00 44.44 H +ATOM 120 HD11 LEU A 8 11.336 4.231 -3.632 1.00 4.12 H +ATOM 121 HD12 LEU A 8 12.243 5.656 -3.128 1.00 63.54 H +ATOM 122 HD13 LEU A 8 11.448 4.645 -1.922 1.00 62.21 H +ATOM 123 HD21 LEU A 8 13.281 3.293 -4.823 1.00 63.05 H +ATOM 124 HD22 LEU A 8 14.817 3.072 -3.983 1.00 4.03 H +ATOM 125 HD23 LEU A 8 14.262 4.695 -4.391 1.00 63.33 H +ATOM 126 N ASP A 9 14.098 6.799 0.471 1.00 53.23 N +ATOM 127 CA ASP A 9 14.491 7.415 1.732 1.00 72.05 C +ATOM 128 C ASP A 9 14.785 6.357 2.788 1.00 25.41 C +ATOM 129 O ASP A 9 15.686 6.517 3.616 1.00 30.31 O +ATOM 130 CB ASP A 9 13.390 8.356 2.215 1.00 35.43 C +ATOM 131 CG ASP A 9 13.778 9.125 3.459 1.00 20.15 C +ATOM 132 OD1 ASP A 9 14.932 9.595 3.539 1.00 55.14 O +ATOM 133 OD2 ASP A 9 12.913 9.299 4.342 1.00 64.14 O +ATOM 134 H ASP A 9 13.143 6.688 0.269 1.00 0.44 H +ATOM 135 HA ASP A 9 15.388 7.987 1.556 1.00 0.43 H +ATOM 136 HB2 ASP A 9 13.165 9.067 1.435 1.00 3.42 H +ATOM 137 HB3 ASP A 9 12.503 7.778 2.435 1.00 21.03 H +ATOM 138 N GLY A 10 14.041 5.260 2.733 1.00 44.35 N +ATOM 139 CA GLY A 10 14.236 4.175 3.677 1.00 55.03 C +ATOM 140 C GLY A 10 15.496 3.378 3.391 1.00 44.41 C +ATOM 141 O GLY A 10 15.850 2.469 4.145 1.00 31.15 O +ATOM 142 H GLY A 10 13.337 5.189 2.044 1.00 52.14 H +ATOM 143 HA2 GLY A 10 14.299 4.587 4.673 1.00 71.04 H +ATOM 144 HA3 GLY A 10 13.385 3.511 3.625 1.00 75.12 H +ATOM 145 N ALA A 11 16.187 3.729 2.310 1.00 33.33 N +ATOM 146 CA ALA A 11 17.409 3.038 1.921 1.00 44.35 C +ATOM 147 C ALA A 11 18.513 3.235 2.959 1.00 32.13 C +ATOM 148 O ALA A 11 19.411 2.407 3.085 1.00 52.54 O +ATOM 149 CB ALA A 11 17.872 3.524 0.559 1.00 51.44 C +ATOM 150 H ALA A 11 15.861 4.472 1.757 1.00 42.00 H +ATOM 151 HA ALA A 11 17.184 1.984 1.844 1.00 44.54 H +ATOM 152 HB1 ALA A 11 17.083 3.374 -0.163 1.00 3.40 H +ATOM 153 HB2 ALA A 11 18.748 2.969 0.257 1.00 4.04 H +ATOM 154 HB3 ALA A 11 18.112 4.574 0.617 1.00 32.32 H +ATOM 155 N LYS A 12 18.434 4.326 3.713 1.00 4.21 N +ATOM 156 CA LYS A 12 19.434 4.614 4.737 1.00 51.05 C +ATOM 157 C LYS A 12 19.092 3.909 6.051 1.00 2.14 C +ATOM 158 O LYS A 12 19.841 3.983 7.021 1.00 71.00 O +ATOM 159 CB LYS A 12 19.552 6.125 4.984 1.00 35.40 C +ATOM 160 CG LYS A 12 19.984 6.939 3.768 1.00 12.11 C +ATOM 161 CD LYS A 12 18.799 7.413 2.932 1.00 44.20 C +ATOM 162 CE LYS A 12 18.170 8.694 3.484 1.00 44.40 C +ATOM 163 NZ LYS A 12 17.490 8.487 4.791 1.00 3.12 N +ATOM 164 H LYS A 12 17.689 4.951 3.576 1.00 60.24 H +ATOM 165 HA LYS A 12 20.384 4.242 4.384 1.00 71.12 H +ATOM 166 HB2 LYS A 12 18.592 6.499 5.309 1.00 54.23 H +ATOM 167 HB3 LYS A 12 20.273 6.291 5.773 1.00 3.44 H +ATOM 168 HG2 LYS A 12 20.536 7.802 4.108 1.00 74.50 H +ATOM 169 HG3 LYS A 12 20.625 6.328 3.151 1.00 20.04 H +ATOM 170 HD2 LYS A 12 19.139 7.602 1.923 1.00 14.21 H +ATOM 171 HD3 LYS A 12 18.049 6.634 2.920 1.00 64.33 H +ATOM 172 HE2 LYS A 12 18.950 9.432 3.612 1.00 40.51 H +ATOM 173 HE3 LYS A 12 17.451 9.062 2.768 1.00 51.34 H +ATOM 174 HZ1 LYS A 12 16.837 7.682 4.732 1.00 41.43 H +ATOM 175 HZ2 LYS A 12 16.948 9.342 5.053 1.00 41.51 H +ATOM 176 HZ3 LYS A 12 18.196 8.302 5.543 1.00 73.25 H +ATOM 177 N LYS A 13 17.965 3.215 6.065 1.00 72.02 N +ATOM 178 CA LYS A 13 17.457 2.606 7.287 1.00 21.22 C +ATOM 179 C LYS A 13 17.381 1.083 7.163 1.00 34.53 C +ATOM 180 O LYS A 13 17.807 0.356 8.061 1.00 30.45 O +ATOM 181 CB LYS A 13 16.079 3.215 7.607 1.00 51.53 C +ATOM 182 CG LYS A 13 15.415 2.707 8.882 1.00 2.21 C +ATOM 183 CD LYS A 13 14.601 1.447 8.632 1.00 0.41 C +ATOM 184 CE LYS A 13 13.747 1.076 9.833 1.00 72.31 C +ATOM 185 NZ LYS A 13 14.557 0.869 11.065 1.00 53.12 N +ATOM 186 H LYS A 13 17.460 3.110 5.232 1.00 23.12 H +ATOM 187 HA LYS A 13 18.140 2.852 8.085 1.00 22.31 H +ATOM 188 HB2 LYS A 13 16.192 4.285 7.701 1.00 62.23 H +ATOM 189 HB3 LYS A 13 15.414 3.011 6.780 1.00 61.22 H +ATOM 190 HG2 LYS A 13 16.179 2.490 9.614 1.00 1.24 H +ATOM 191 HG3 LYS A 13 14.758 3.477 9.263 1.00 4.20 H +ATOM 192 HD2 LYS A 13 13.955 1.612 7.782 1.00 22.34 H +ATOM 193 HD3 LYS A 13 15.280 0.633 8.417 1.00 54.24 H +ATOM 194 HE2 LYS A 13 13.037 1.868 10.011 1.00 54.11 H +ATOM 195 HE3 LYS A 13 13.215 0.163 9.608 1.00 30.13 H +ATOM 196 HZ1 LYS A 13 15.408 0.305 10.850 1.00 54.44 H +ATOM 197 HZ2 LYS A 13 13.989 0.366 11.782 1.00 3.50 H +ATOM 198 HZ3 LYS A 13 14.852 1.789 11.459 1.00 13.12 H +ATOM 199 N ALA A 14 16.852 0.605 6.045 1.00 25.25 N +ATOM 200 CA ALA A 14 16.561 -0.817 5.885 1.00 75.12 C +ATOM 201 C ALA A 14 17.792 -1.644 5.503 1.00 52.21 C +ATOM 202 O ALA A 14 18.123 -2.616 6.177 1.00 74.54 O +ATOM 203 CB ALA A 14 15.463 -1.011 4.851 1.00 40.51 C +ATOM 204 H ALA A 14 16.641 1.224 5.311 1.00 64.32 H +ATOM 205 HA ALA A 14 16.187 -1.181 6.830 1.00 51.41 H +ATOM 206 HB1 ALA A 14 15.191 -2.054 4.809 1.00 52.05 H +ATOM 207 HB2 ALA A 14 15.821 -0.692 3.883 1.00 13.33 H +ATOM 208 HB3 ALA A 14 14.598 -0.423 5.126 1.00 4.30 H +ATOM 209 N VAL A 15 18.472 -1.248 4.433 1.00 4.52 N +ATOM 210 CA VAL A 15 19.531 -2.076 3.860 1.00 11.22 C +ATOM 211 C VAL A 15 20.875 -1.851 4.565 1.00 60.25 C +ATOM 212 O VAL A 15 21.878 -2.489 4.238 1.00 73.21 O +ATOM 213 CB VAL A 15 19.678 -1.810 2.341 1.00 22.00 C +ATOM 214 CG1 VAL A 15 20.382 -0.488 2.069 1.00 54.14 C +ATOM 215 CG2 VAL A 15 20.393 -2.959 1.655 1.00 13.21 C +ATOM 216 H VAL A 15 18.264 -0.384 4.024 1.00 1.32 H +ATOM 217 HA VAL A 15 19.245 -3.110 3.990 1.00 55.04 H +ATOM 218 HB VAL A 15 18.685 -1.742 1.919 1.00 61.31 H +ATOM 219 HG11 VAL A 15 21.362 -0.504 2.525 1.00 30.35 H +ATOM 220 HG12 VAL A 15 19.805 0.322 2.486 1.00 12.10 H +ATOM 221 HG13 VAL A 15 20.485 -0.346 1.002 1.00 62.44 H +ATOM 222 HG21 VAL A 15 21.372 -3.092 2.095 1.00 53.13 H +ATOM 223 HG22 VAL A 15 20.497 -2.741 0.602 1.00 25.35 H +ATOM 224 HG23 VAL A 15 19.816 -3.862 1.777 1.00 24.31 H +ATOM 225 N GLY A 16 20.891 -0.958 5.541 1.00 31.35 N +ATOM 226 CA GLY A 16 22.123 -0.662 6.245 1.00 24.32 C +ATOM 227 C GLY A 16 21.963 -0.752 7.746 1.00 24.41 C +ATOM 228 O GLY A 16 22.307 0.182 8.464 1.00 70.20 O +ATOM 229 H GLY A 16 20.062 -0.508 5.796 1.00 10.11 H +ATOM 230 HA2 GLY A 16 22.882 -1.363 5.932 1.00 13.44 H +ATOM 231 HA3 GLY A 16 22.439 0.337 5.987 1.00 55.54 H +ATOM 232 N GLY A 17 21.452 -1.882 8.218 1.00 63.34 N +ATOM 233 CA GLY A 17 21.197 -2.060 9.635 1.00 64.23 C +ATOM 234 C GLY A 17 22.461 -2.071 10.475 1.00 24.12 C +ATOM 235 O GLY A 17 22.529 -1.404 11.510 1.00 73.43 O +ATOM 236 H GLY A 17 21.243 -2.610 7.592 1.00 71.31 H +ATOM 237 HA2 GLY A 17 20.562 -1.257 9.976 1.00 44.52 H +ATOM 238 HA3 GLY A 17 20.679 -2.996 9.779 1.00 2.55 H +ATOM 239 N LEU A 18 23.464 -2.819 10.031 1.00 52.21 N +ATOM 240 CA LEU A 18 24.711 -2.961 10.781 1.00 52.42 C +ATOM 241 C LEU A 18 25.504 -1.658 10.771 1.00 33.44 C +ATOM 242 O LEU A 18 26.283 -1.382 11.684 1.00 51.52 O +ATOM 243 CB LEU A 18 25.556 -4.097 10.195 1.00 44.13 C +ATOM 244 CG LEU A 18 26.841 -4.426 10.964 1.00 0.34 C +ATOM 245 CD1 LEU A 18 26.517 -4.933 12.362 1.00 72.23 C +ATOM 246 CD2 LEU A 18 27.669 -5.452 10.203 1.00 63.44 C +ATOM 247 H LEU A 18 23.367 -3.288 9.171 1.00 62.41 H +ATOM 248 HA LEU A 18 24.458 -3.204 11.803 1.00 52.34 H +ATOM 249 HB2 LEU A 18 24.944 -4.986 10.157 1.00 74.02 H +ATOM 250 HB3 LEU A 18 25.828 -3.828 9.186 1.00 14.33 H +ATOM 251 HG LEU A 18 27.432 -3.526 11.065 1.00 44.51 H +ATOM 252 HD11 LEU A 18 27.435 -5.150 12.886 1.00 63.44 H +ATOM 253 HD12 LEU A 18 25.921 -5.833 12.291 1.00 40.11 H +ATOM 254 HD13 LEU A 18 25.964 -4.178 12.902 1.00 53.54 H +ATOM 255 HD21 LEU A 18 28.575 -5.663 10.754 1.00 73.31 H +ATOM 256 HD22 LEU A 18 27.925 -5.060 9.230 1.00 34.13 H +ATOM 257 HD23 LEU A 18 27.100 -6.362 10.090 1.00 23.03 H +ATOM 258 N GLY A 19 25.296 -0.858 9.737 1.00 24.41 N +ATOM 259 CA GLY A 19 25.965 0.425 9.644 1.00 74.15 C +ATOM 260 C GLY A 19 25.116 1.554 10.189 1.00 40.13 C +ATOM 261 O GLY A 19 25.535 2.714 10.201 1.00 0.43 O +ATOM 262 H GLY A 19 24.685 -1.147 9.022 1.00 50.33 H +ATOM 263 HA2 GLY A 19 26.889 0.379 10.202 1.00 53.32 H +ATOM 264 HA3 GLY A 19 26.191 0.627 8.608 1.00 45.22 H +ATOM 265 N LYS A 20 23.926 1.215 10.664 1.00 75.11 N +ATOM 266 CA LYS A 20 22.980 2.213 11.148 1.00 14.53 C +ATOM 267 C LYS A 20 23.247 2.522 12.618 1.00 72.01 C +ATOM 268 O LYS A 20 22.383 2.348 13.477 1.00 0.23 O +ATOM 269 CB LYS A 20 21.539 1.716 10.936 1.00 54.41 C +ATOM 270 CG LYS A 20 20.486 2.818 10.864 1.00 32.42 C +ATOM 271 CD LYS A 20 19.818 3.098 12.207 1.00 13.43 C +ATOM 272 CE LYS A 20 19.002 1.908 12.700 1.00 73.44 C +ATOM 273 NZ LYS A 20 19.846 0.844 13.311 1.00 24.53 N +ATOM 274 H LYS A 20 23.676 0.266 10.694 1.00 74.22 H +ATOM 275 HA LYS A 20 23.128 3.115 10.573 1.00 24.05 H +ATOM 276 HB2 LYS A 20 21.501 1.159 10.013 1.00 65.04 H +ATOM 277 HB3 LYS A 20 21.280 1.054 11.751 1.00 60.12 H +ATOM 278 HG2 LYS A 20 20.957 3.724 10.519 1.00 63.22 H +ATOM 279 HG3 LYS A 20 19.725 2.522 10.155 1.00 50.21 H +ATOM 280 HD2 LYS A 20 20.581 3.324 12.936 1.00 72.44 H +ATOM 281 HD3 LYS A 20 19.162 3.950 12.096 1.00 64.04 H +ATOM 282 HE2 LYS A 20 18.292 2.256 13.435 1.00 42.13 H +ATOM 283 HE3 LYS A 20 18.467 1.490 11.859 1.00 11.02 H +ATOM 284 HZ1 LYS A 20 19.281 -0.019 13.470 1.00 43.12 H +ATOM 285 HZ2 LYS A 20 20.225 1.174 14.230 1.00 21.10 H +ATOM 286 HZ3 LYS A 20 20.643 0.615 12.688 1.00 23.21 H +ATOM 287 N LEU A 21 24.473 2.938 12.901 1.00 33.11 N +ATOM 288 CA LEU A 21 24.846 3.402 14.227 1.00 62.02 C +ATOM 289 C LEU A 21 25.737 4.628 14.100 1.00 54.12 C +ATOM 290 O LEU A 21 26.956 4.552 14.269 1.00 42.41 O +ATOM 291 CB LEU A 21 25.567 2.313 15.043 1.00 65.22 C +ATOM 292 CG LEU A 21 24.724 1.086 15.422 1.00 52.43 C +ATOM 293 CD1 LEU A 21 24.776 0.026 14.330 1.00 33.31 C +ATOM 294 CD2 LEU A 21 25.191 0.511 16.751 1.00 70.31 C +ATOM 295 H LEU A 21 25.152 2.932 12.190 1.00 24.55 H +ATOM 296 HA LEU A 21 23.939 3.687 14.743 1.00 3.34 H +ATOM 297 HB2 LEU A 21 26.416 1.971 14.469 1.00 71.24 H +ATOM 298 HB3 LEU A 21 25.932 2.762 15.954 1.00 2.33 H +ATOM 299 HG LEU A 21 23.695 1.392 15.537 1.00 41.15 H +ATOM 300 HD11 LEU A 21 24.406 0.443 13.406 1.00 44.43 H +ATOM 301 HD12 LEU A 21 24.163 -0.817 14.615 1.00 62.35 H +ATOM 302 HD13 LEU A 21 25.797 -0.301 14.193 1.00 63.02 H +ATOM 303 HD21 LEU A 21 25.070 1.253 17.527 1.00 74.02 H +ATOM 304 HD22 LEU A 21 26.233 0.232 16.677 1.00 4.01 H +ATOM 305 HD23 LEU A 21 24.602 -0.361 16.994 1.00 64.34 H +ATOM 306 N GLY A 22 25.129 5.753 13.767 1.00 71.44 N +ATOM 307 CA GLY A 22 25.883 6.972 13.561 1.00 42.32 C +ATOM 308 C GLY A 22 25.499 7.664 12.272 1.00 3.00 C +ATOM 309 O GLY A 22 25.557 8.892 12.173 1.00 22.43 O +ATOM 310 H GLY A 22 24.143 5.762 13.664 1.00 35.32 H +ATOM 311 HA2 GLY A 22 25.698 7.642 14.388 1.00 54.20 H +ATOM 312 HA3 GLY A 22 26.935 6.732 13.532 1.00 21.44 H +ATOM 313 N LYS A 23 25.102 6.880 11.277 1.00 5.14 N +ATOM 314 CA LYS A 23 24.678 7.438 9.998 1.00 4.52 C +ATOM 315 C LYS A 23 23.251 7.953 10.114 1.00 3.40 C +ATOM 316 O LYS A 23 22.814 8.800 9.336 1.00 74.22 O +ATOM 317 CB LYS A 23 24.769 6.396 8.878 1.00 13.33 C +ATOM 318 CG LYS A 23 23.679 5.334 8.928 1.00 21.51 C +ATOM 319 CD LYS A 23 23.683 4.476 7.676 1.00 1.43 C +ATOM 320 CE LYS A 23 23.536 5.327 6.424 1.00 24.40 C +ATOM 321 NZ LYS A 23 23.710 4.529 5.183 1.00 21.23 N +ATOM 322 H LYS A 23 25.092 5.910 11.406 1.00 73.42 H +ATOM 323 HA LYS A 23 25.331 8.268 9.764 1.00 74.01 H +ATOM 324 HB2 LYS A 23 24.702 6.903 7.928 1.00 75.03 H +ATOM 325 HB3 LYS A 23 25.728 5.901 8.943 1.00 3.24 H +ATOM 326 HG2 LYS A 23 23.846 4.702 9.787 1.00 71.31 H +ATOM 327 HG3 LYS A 23 22.719 5.820 9.018 1.00 34.31 H +ATOM 328 HD2 LYS A 23 24.613 3.932 7.624 1.00 64.23 H +ATOM 329 HD3 LYS A 23 22.859 3.781 7.726 1.00 61.13 H +ATOM 330 HE2 LYS A 23 22.550 5.769 6.421 1.00 72.10 H +ATOM 331 HE3 LYS A 23 24.279 6.108 6.449 1.00 30.34 H +ATOM 332 HZ1 LYS A 23 23.735 5.162 4.352 1.00 4.42 H +ATOM 333 HZ2 LYS A 23 22.922 3.857 5.069 1.00 64.42 H +ATOM 334 HZ3 LYS A 23 24.604 3.994 5.220 1.00 23.41 H +ATOM 335 N ASP A 24 22.542 7.435 11.107 1.00 53.50 N +ATOM 336 CA ASP A 24 21.172 7.829 11.378 1.00 52.41 C +ATOM 337 C ASP A 24 21.137 9.241 11.942 1.00 12.14 C +ATOM 338 O ASP A 24 21.537 9.488 13.081 1.00 21.15 O +ATOM 339 CB ASP A 24 20.511 6.832 12.343 1.00 45.13 C +ATOM 340 CG ASP A 24 21.359 6.542 13.569 1.00 53.11 C +ATOM 341 OD1 ASP A 24 22.502 6.060 13.411 1.00 62.34 O +ATOM 342 OD2 ASP A 24 20.882 6.770 14.701 1.00 34.41 O +ATOM 343 H ASP A 24 22.963 6.771 11.696 1.00 51.33 H +ATOM 344 HA ASP A 24 20.634 7.818 10.441 1.00 4.33 H +ATOM 345 HB2 ASP A 24 19.566 7.236 12.672 1.00 44.32 H +ATOM 346 HB3 ASP A 24 20.335 5.901 11.821 1.00 44.34 H +ATOM 347 N ALA A 25 20.695 10.170 11.113 1.00 31.24 N +ATOM 348 CA ALA A 25 20.645 11.579 11.485 1.00 1.32 C +ATOM 349 C ALA A 25 19.600 12.313 10.656 1.00 51.22 C +ATOM 350 O ALA A 25 18.745 13.018 11.193 1.00 55.44 O +ATOM 351 CB ALA A 25 22.009 12.221 11.295 1.00 33.01 C +ATOM 352 H ALA A 25 20.384 9.895 10.217 1.00 52.21 H +ATOM 353 HA ALA A 25 20.380 11.647 12.530 1.00 53.31 H +ATOM 354 HB1 ALA A 25 22.279 12.190 10.249 1.00 55.44 H +ATOM 355 HB2 ALA A 25 22.744 11.679 11.870 1.00 15.51 H +ATOM 356 HB3 ALA A 25 21.975 13.248 11.630 1.00 13.11 H +ATOM 357 N VAL A 26 19.673 12.136 9.342 1.00 40.24 N +ATOM 358 CA VAL A 26 18.711 12.747 8.433 1.00 30.24 C +ATOM 359 C VAL A 26 17.344 12.123 8.658 1.00 5.44 C +ATOM 360 O VAL A 26 16.315 12.796 8.618 1.00 15.03 O +ATOM 361 CB VAL A 26 19.124 12.550 6.956 1.00 3.14 C +ATOM 362 CG1 VAL A 26 18.223 13.352 6.031 1.00 4.55 C +ATOM 363 CG2 VAL A 26 20.579 12.935 6.748 1.00 31.01 C +ATOM 364 H VAL A 26 20.385 11.570 8.975 1.00 54.24 H +ATOM 365 HA VAL A 26 18.663 13.804 8.643 1.00 14.13 H +ATOM 366 HB VAL A 26 19.014 11.504 6.706 1.00 2.23 H +ATOM 367 HG11 VAL A 26 18.511 13.174 5.004 1.00 13.20 H +ATOM 368 HG12 VAL A 26 18.322 14.403 6.255 1.00 44.34 H +ATOM 369 HG13 VAL A 26 17.197 13.046 6.176 1.00 45.13 H +ATOM 370 HG21 VAL A 26 20.850 12.773 5.717 1.00 13.00 H +ATOM 371 HG22 VAL A 26 21.205 12.328 7.385 1.00 74.02 H +ATOM 372 HG23 VAL A 26 20.715 13.977 6.998 1.00 54.43 H +ATOM 373 N GLU A 27 17.365 10.835 8.939 1.00 61.24 N +ATOM 374 CA GLU A 27 16.161 10.059 9.183 1.00 64.02 C +ATOM 375 C GLU A 27 15.376 10.658 10.341 1.00 43.55 C +ATOM 376 O GLU A 27 14.154 10.782 10.279 1.00 72.23 O +ATOM 377 CB GLU A 27 16.529 8.604 9.512 1.00 0.42 C +ATOM 378 CG GLU A 27 17.285 7.868 8.408 1.00 31.12 C +ATOM 379 CD GLU A 27 18.640 8.477 8.081 1.00 52.34 C +ATOM 380 OE1 GLU A 27 19.315 8.989 9.004 1.00 33.53 O +ATOM 381 OE2 GLU A 27 19.021 8.465 6.892 1.00 24.23 O +ATOM 382 H GLU A 27 18.238 10.373 8.980 1.00 42.12 H +ATOM 383 HA GLU A 27 15.556 10.082 8.290 1.00 12.50 H +ATOM 384 HB2 GLU A 27 17.141 8.597 10.401 1.00 25.43 H +ATOM 385 HB3 GLU A 27 15.618 8.060 9.713 1.00 72.42 H +ATOM 386 HG2 GLU A 27 17.439 6.847 8.721 1.00 2.24 H +ATOM 387 HG3 GLU A 27 16.679 7.879 7.513 1.00 22.23 H +ATOM 388 N ASP A 28 16.101 11.052 11.378 1.00 15.02 N +ATOM 389 CA ASP A 28 15.507 11.607 12.591 1.00 42.40 C +ATOM 390 C ASP A 28 14.710 12.875 12.294 1.00 13.40 C +ATOM 391 O ASP A 28 13.535 12.980 12.646 1.00 45.01 O +ATOM 392 CB ASP A 28 16.610 11.909 13.613 1.00 65.52 C +ATOM 393 CG ASP A 28 16.088 12.555 14.883 1.00 1.43 C +ATOM 394 OD1 ASP A 28 15.727 11.818 15.827 1.00 75.53 O +ATOM 395 OD2 ASP A 28 16.061 13.802 14.954 1.00 62.12 O +ATOM 396 H ASP A 28 17.076 10.969 11.328 1.00 22.14 H +ATOM 397 HA ASP A 28 14.841 10.864 13.004 1.00 44.13 H +ATOM 398 HB2 ASP A 28 17.102 10.987 13.882 1.00 32.50 H +ATOM 399 HB3 ASP A 28 17.331 12.577 13.164 1.00 41.23 H +ATOM 400 N LEU A 29 15.343 13.825 11.616 1.00 70.35 N +ATOM 401 CA LEU A 29 14.728 15.125 11.383 1.00 33.53 C +ATOM 402 C LEU A 29 13.750 15.104 10.209 1.00 1.01 C +ATOM 403 O LEU A 29 12.808 15.897 10.165 1.00 12.03 O +ATOM 404 CB LEU A 29 15.808 16.211 11.204 1.00 10.03 C +ATOM 405 CG LEU A 29 16.970 15.877 10.257 1.00 0.44 C +ATOM 406 CD1 LEU A 29 16.587 16.114 8.804 1.00 73.32 C +ATOM 407 CD2 LEU A 29 18.197 16.697 10.623 1.00 61.41 C +ATOM 408 H LEU A 29 16.241 13.646 11.266 1.00 72.55 H +ATOM 409 HA LEU A 29 14.162 15.364 12.272 1.00 50.31 H +ATOM 410 HB2 LEU A 29 15.325 17.104 10.837 1.00 14.13 H +ATOM 411 HB3 LEU A 29 16.224 16.427 12.177 1.00 12.44 H +ATOM 412 HG LEU A 29 17.222 14.834 10.366 1.00 22.21 H +ATOM 413 HD11 LEU A 29 16.301 17.147 8.671 1.00 10.20 H +ATOM 414 HD12 LEU A 29 15.757 15.474 8.540 1.00 35.34 H +ATOM 415 HD13 LEU A 29 17.430 15.888 8.169 1.00 42.21 H +ATOM 416 HD21 LEU A 29 19.001 16.466 9.939 1.00 11.53 H +ATOM 417 HD22 LEU A 29 18.502 16.459 11.631 1.00 3.15 H +ATOM 418 HD23 LEU A 29 17.961 17.749 10.558 1.00 33.34 H +ATOM 419 N GLU A 30 13.954 14.198 9.262 1.00 73.34 N +ATOM 420 CA GLU A 30 13.046 14.090 8.127 1.00 65.35 C +ATOM 421 C GLU A 30 11.786 13.324 8.505 1.00 63.31 C +ATOM 422 O GLU A 30 10.720 13.555 7.934 1.00 74.55 O +ATOM 423 CB GLU A 30 13.728 13.423 6.936 1.00 34.42 C +ATOM 424 CG GLU A 30 14.741 14.319 6.246 1.00 32.41 C +ATOM 425 CD GLU A 30 14.110 15.571 5.675 1.00 41.13 C +ATOM 426 OE1 GLU A 30 13.611 15.519 4.531 1.00 3.10 O +ATOM 427 OE2 GLU A 30 14.106 16.612 6.362 1.00 50.14 O +ATOM 428 H GLU A 30 14.732 13.600 9.318 1.00 13.23 H +ATOM 429 HA GLU A 30 12.763 15.095 7.845 1.00 11.33 H +ATOM 430 HB2 GLU A 30 14.237 12.535 7.278 1.00 4.01 H +ATOM 431 HB3 GLU A 30 12.976 13.143 6.214 1.00 22.24 H +ATOM 432 HG2 GLU A 30 15.495 14.608 6.963 1.00 54.10 H +ATOM 433 HG3 GLU A 30 15.205 13.766 5.441 1.00 11.50 H +ATOM 434 N SER A 31 11.906 12.421 9.471 1.00 23.41 N +ATOM 435 CA SER A 31 10.759 11.652 9.935 1.00 32.22 C +ATOM 436 C SER A 31 9.718 12.585 10.546 1.00 33.23 C +ATOM 437 O SER A 31 8.516 12.402 10.354 1.00 73.25 O +ATOM 438 CB SER A 31 11.195 10.593 10.956 1.00 64.41 C +ATOM 439 OG SER A 31 10.124 9.733 11.296 1.00 64.12 O +ATOM 440 H SER A 31 12.786 12.261 9.878 1.00 3.42 H +ATOM 441 HA SER A 31 10.324 11.159 9.080 1.00 4.41 H +ATOM 442 HB2 SER A 31 11.994 10.000 10.540 1.00 5.33 H +ATOM 443 HB3 SER A 31 11.545 11.084 11.852 1.00 54.35 H +ATOM 444 HG SER A 31 10.409 8.813 11.220 1.00 32.25 H +ATOM 445 N VAL A 32 10.191 13.606 11.258 1.00 54.41 N +ATOM 446 CA VAL A 32 9.308 14.589 11.871 1.00 62.13 C +ATOM 447 C VAL A 32 8.516 15.339 10.802 1.00 62.21 C +ATOM 448 O VAL A 32 7.291 15.450 10.884 1.00 31.15 O +ATOM 449 CB VAL A 32 10.098 15.600 12.728 1.00 54.12 C +ATOM 450 CG1 VAL A 32 9.158 16.577 13.417 1.00 55.12 C +ATOM 451 CG2 VAL A 32 10.963 14.879 13.751 1.00 65.13 C +ATOM 452 H VAL A 32 11.159 13.697 11.375 1.00 31.04 H +ATOM 453 HA VAL A 32 8.616 14.065 12.515 1.00 21.25 H +ATOM 454 HB VAL A 32 10.747 16.163 12.073 1.00 21.25 H +ATOM 455 HG11 VAL A 32 9.736 17.295 13.980 1.00 12.25 H +ATOM 456 HG12 VAL A 32 8.504 16.037 14.087 1.00 55.32 H +ATOM 457 HG13 VAL A 32 8.568 17.091 12.674 1.00 25.45 H +ATOM 458 HG21 VAL A 32 11.528 15.603 14.319 1.00 43.31 H +ATOM 459 HG22 VAL A 32 11.642 14.213 13.242 1.00 72.22 H +ATOM 460 HG23 VAL A 32 10.332 14.310 14.418 1.00 73.41 H +ATOM 461 N GLY A 33 9.222 15.829 9.788 1.00 13.00 N +ATOM 462 CA GLY A 33 8.579 16.565 8.711 1.00 1.34 C +ATOM 463 C GLY A 33 7.638 15.697 7.897 1.00 45.21 C +ATOM 464 O GLY A 33 6.607 16.167 7.414 1.00 55.22 O +ATOM 465 H GLY A 33 10.191 15.690 9.769 1.00 11.35 H +ATOM 466 HA2 GLY A 33 8.019 17.384 9.136 1.00 12.32 H +ATOM 467 HA3 GLY A 33 9.341 16.966 8.058 1.00 45.54 H +ATOM 468 N LYS A 34 7.985 14.423 7.764 1.00 1.32 N +ATOM 469 CA LYS A 34 7.165 13.472 7.025 1.00 35.44 C +ATOM 470 C LYS A 34 6.101 12.851 7.924 1.00 32.32 C +ATOM 471 O LYS A 34 5.483 11.850 7.563 1.00 21.44 O +ATOM 472 CB LYS A 34 8.047 12.378 6.414 1.00 13.32 C +ATOM 473 CG LYS A 34 8.837 12.847 5.206 1.00 52.44 C +ATOM 474 CD LYS A 34 9.939 11.867 4.842 1.00 51.14 C +ATOM 475 CE LYS A 34 10.452 12.112 3.433 1.00 44.34 C +ATOM 476 NZ LYS A 34 11.782 11.490 3.203 1.00 55.32 N +ATOM 477 H LYS A 34 8.820 14.110 8.177 1.00 71.45 H +ATOM 478 HA LYS A 34 6.675 14.009 6.228 1.00 43.20 H +ATOM 479 HB2 LYS A 34 8.744 12.029 7.161 1.00 25.23 H +ATOM 480 HB3 LYS A 34 7.419 11.553 6.106 1.00 52.15 H +ATOM 481 HG2 LYS A 34 8.166 12.948 4.368 1.00 2.41 H +ATOM 482 HG3 LYS A 34 9.280 13.805 5.433 1.00 54.54 H +ATOM 483 HD2 LYS A 34 10.756 11.983 5.537 1.00 65.51 H +ATOM 484 HD3 LYS A 34 9.550 10.862 4.904 1.00 62.31 H +ATOM 485 HE2 LYS A 34 9.744 11.696 2.729 1.00 51.41 H +ATOM 486 HE3 LYS A 34 10.530 13.177 3.274 1.00 15.24 H +ATOM 487 HZ1 LYS A 34 11.796 10.513 3.575 1.00 42.11 H +ATOM 488 HZ2 LYS A 34 12.521 12.038 3.682 1.00 14.41 H +ATOM 489 HZ3 LYS A 34 11.999 11.464 2.181 1.00 14.32 H +ATOM 490 N GLY A 35 5.891 13.450 9.091 1.00 14.10 N +ATOM 491 CA GLY A 35 4.870 12.972 9.997 1.00 73.25 C +ATOM 492 C GLY A 35 5.406 11.961 10.984 1.00 42.22 C +ATOM 493 O GLY A 35 5.240 10.754 10.797 1.00 65.43 O +ATOM 494 H GLY A 35 6.445 14.219 9.345 1.00 42.34 H +ATOM 495 HA2 GLY A 35 4.464 13.810 10.544 1.00 24.50 H +ATOM 496 HA3 GLY A 35 4.077 12.514 9.423 1.00 12.22 H +ATOM 497 N ALA A 36 6.038 12.459 12.045 1.00 44.45 N +ATOM 498 CA ALA A 36 6.602 11.602 13.085 1.00 4.11 C +ATOM 499 C ALA A 36 5.526 10.724 13.719 1.00 12.12 C +ATOM 500 O ALA A 36 5.821 9.662 14.266 1.00 13.24 O +ATOM 501 CB ALA A 36 7.289 12.441 14.149 1.00 54.33 C +ATOM 502 H ALA A 36 6.142 13.430 12.121 1.00 2.14 H +ATOM 503 HA ALA A 36 7.345 10.967 12.623 1.00 43.34 H +ATOM 504 HB1 ALA A 36 8.049 13.055 13.689 1.00 62.12 H +ATOM 505 HB2 ALA A 36 7.744 11.790 14.880 1.00 11.43 H +ATOM 506 HB3 ALA A 36 6.560 13.073 14.634 1.00 75.55 H +ATOM 507 N VAL A 37 4.283 11.183 13.636 1.00 71.32 N +ATOM 508 CA VAL A 37 3.142 10.428 14.132 1.00 43.53 C +ATOM 509 C VAL A 37 3.082 9.056 13.467 1.00 14.31 C +ATOM 510 O VAL A 37 2.963 8.037 14.142 1.00 23.11 O +ATOM 511 CB VAL A 37 1.819 11.180 13.869 1.00 64.00 C +ATOM 512 CG1 VAL A 37 0.630 10.387 14.392 1.00 12.14 C +ATOM 513 CG2 VAL A 37 1.854 12.564 14.501 1.00 32.12 C +ATOM 514 H VAL A 37 4.130 12.059 13.229 1.00 52.54 H +ATOM 515 HA VAL A 37 3.259 10.300 15.199 1.00 50.44 H +ATOM 516 HB VAL A 37 1.703 11.297 12.803 1.00 40.21 H +ATOM 517 HG11 VAL A 37 0.589 9.433 13.891 1.00 14.14 H +ATOM 518 HG12 VAL A 37 -0.280 10.936 14.200 1.00 14.44 H +ATOM 519 HG13 VAL A 37 0.741 10.232 15.455 1.00 3.43 H +ATOM 520 HG21 VAL A 37 2.004 12.472 15.568 1.00 33.42 H +ATOM 521 HG22 VAL A 37 0.920 13.068 14.309 1.00 20.22 H +ATOM 522 HG23 VAL A 37 2.666 13.133 14.074 1.00 55.01 H +ATOM 523 N HIS A 38 3.206 9.038 12.145 1.00 53.33 N +ATOM 524 CA HIS A 38 3.129 7.796 11.384 1.00 33.14 C +ATOM 525 C HIS A 38 4.303 6.884 11.710 1.00 73.32 C +ATOM 526 O HIS A 38 4.146 5.666 11.764 1.00 73.13 O +ATOM 527 CB HIS A 38 3.088 8.074 9.874 1.00 74.41 C +ATOM 528 CG HIS A 38 3.090 6.829 9.029 1.00 10.30 C +ATOM 529 ND1 HIS A 38 3.987 6.618 8.003 1.00 54.24 N +ATOM 530 CD2 HIS A 38 2.305 5.721 9.069 1.00 22.41 C +ATOM 531 CE1 HIS A 38 3.752 5.445 7.446 1.00 42.24 C +ATOM 532 NE2 HIS A 38 2.742 4.879 8.077 1.00 0.11 N +ATOM 533 H HIS A 38 3.364 9.881 11.672 1.00 22.34 H +ATOM 534 HA HIS A 38 2.217 7.294 11.668 1.00 62.21 H +ATOM 535 HB2 HIS A 38 2.192 8.631 9.642 1.00 33.34 H +ATOM 536 HB3 HIS A 38 3.952 8.664 9.602 1.00 42.25 H +ATOM 537 HD1 HIS A 38 4.691 7.248 7.710 1.00 14.42 H +ATOM 538 HD2 HIS A 38 1.489 5.536 9.753 1.00 1.31 H +ATOM 539 HE1 HIS A 38 4.297 5.018 6.617 1.00 24.03 H +ATOM 540 HE2 HIS A 38 2.386 3.976 7.888 1.00 0.00 H +ATOM 541 N ASP A 39 5.472 7.473 11.930 1.00 22.25 N +ATOM 542 CA ASP A 39 6.675 6.691 12.192 1.00 10.13 C +ATOM 543 C ASP A 39 6.496 5.835 13.442 1.00 45.11 C +ATOM 544 O ASP A 39 6.605 4.613 13.386 1.00 62.23 O +ATOM 545 CB ASP A 39 7.892 7.605 12.351 1.00 12.35 C +ATOM 546 CG ASP A 39 9.193 6.828 12.388 1.00 51.33 C +ATOM 547 OD1 ASP A 39 9.779 6.597 11.309 1.00 2.13 O +ATOM 548 OD2 ASP A 39 9.637 6.442 13.491 1.00 53.33 O +ATOM 549 H ASP A 39 5.527 8.454 11.918 1.00 13.35 H +ATOM 550 HA ASP A 39 6.836 6.038 11.346 1.00 10.14 H +ATOM 551 HB2 ASP A 39 7.930 8.292 11.519 1.00 2.02 H +ATOM 552 HB3 ASP A 39 7.801 8.164 13.271 1.00 33.51 H +ATOM 553 N VAL A 40 6.186 6.480 14.560 1.00 42.24 N +ATOM 554 CA VAL A 40 6.000 5.769 15.820 1.00 54.40 C +ATOM 555 C VAL A 40 4.751 4.881 15.766 1.00 40.31 C +ATOM 556 O VAL A 40 4.756 3.758 16.269 1.00 44.15 O +ATOM 557 CB VAL A 40 5.925 6.747 17.023 1.00 22.20 C +ATOM 558 CG1 VAL A 40 4.771 7.730 16.878 1.00 33.21 C +ATOM 559 CG2 VAL A 40 5.816 5.985 18.336 1.00 63.35 C +ATOM 560 H VAL A 40 6.081 7.455 14.539 1.00 3.44 H +ATOM 561 HA VAL A 40 6.861 5.131 15.962 1.00 42.33 H +ATOM 562 HB VAL A 40 6.842 7.317 17.047 1.00 60.53 H +ATOM 563 HG11 VAL A 40 4.752 8.393 17.732 1.00 54.23 H +ATOM 564 HG12 VAL A 40 3.839 7.189 16.822 1.00 54.01 H +ATOM 565 HG13 VAL A 40 4.903 8.309 15.975 1.00 63.22 H +ATOM 566 HG21 VAL A 40 5.748 6.685 19.156 1.00 63.13 H +ATOM 567 HG22 VAL A 40 6.690 5.366 18.463 1.00 33.22 H +ATOM 568 HG23 VAL A 40 4.933 5.363 18.317 1.00 70.23 H +ATOM 569 N LYS A 41 3.700 5.376 15.120 1.00 21.25 N +ATOM 570 CA LYS A 41 2.441 4.646 15.019 1.00 34.22 C +ATOM 571 C LYS A 41 2.628 3.333 14.269 1.00 11.31 C +ATOM 572 O LYS A 41 2.157 2.280 14.711 1.00 24.34 O +ATOM 573 CB LYS A 41 1.393 5.514 14.316 1.00 33.43 C +ATOM 574 CG LYS A 41 0.061 4.821 14.079 1.00 51.11 C +ATOM 575 CD LYS A 41 -0.530 4.299 15.375 1.00 62.44 C +ATOM 576 CE LYS A 41 -1.868 3.623 15.142 1.00 22.41 C +ATOM 577 NZ LYS A 41 -2.344 2.920 16.361 1.00 32.12 N +ATOM 578 H LYS A 41 3.769 6.264 14.702 1.00 64.13 H +ATOM 579 HA LYS A 41 2.101 4.431 16.021 1.00 24.15 H +ATOM 580 HB2 LYS A 41 1.210 6.391 14.917 1.00 0.51 H +ATOM 581 HB3 LYS A 41 1.785 5.825 13.357 1.00 5.01 H +ATOM 582 HG2 LYS A 41 -0.629 5.527 13.641 1.00 3.45 H +ATOM 583 HG3 LYS A 41 0.212 3.993 13.401 1.00 61.25 H +ATOM 584 HD2 LYS A 41 0.151 3.583 15.807 1.00 1.21 H +ATOM 585 HD3 LYS A 41 -0.666 5.127 16.056 1.00 13.54 H +ATOM 586 HE2 LYS A 41 -2.594 4.374 14.863 1.00 74.51 H +ATOM 587 HE3 LYS A 41 -1.762 2.908 14.339 1.00 62.54 H +ATOM 588 HZ1 LYS A 41 -3.279 2.489 16.187 1.00 1.25 H +ATOM 589 HZ2 LYS A 41 -2.426 3.588 17.159 1.00 21.14 H +ATOM 590 HZ3 LYS A 41 -1.675 2.166 16.619 1.00 1.22 H +ATOM 591 N ASP A 42 3.333 3.399 13.150 1.00 43.34 N +ATOM 592 CA ASP A 42 3.511 2.239 12.287 1.00 43.34 C +ATOM 593 C ASP A 42 4.410 1.198 12.943 1.00 31.32 C +ATOM 594 O ASP A 42 4.175 0.001 12.811 1.00 74.53 O +ATOM 595 CB ASP A 42 4.092 2.659 10.937 1.00 3.30 C +ATOM 596 CG ASP A 42 3.964 1.577 9.886 1.00 34.21 C +ATOM 597 OD1 ASP A 42 2.879 1.468 9.276 1.00 31.44 O +ATOM 598 OD2 ASP A 42 4.945 0.843 9.651 1.00 54.21 O +ATOM 599 H ASP A 42 3.744 4.257 12.893 1.00 14.02 H +ATOM 600 HA ASP A 42 2.539 1.800 12.127 1.00 33.04 H +ATOM 601 HB2 ASP A 42 3.571 3.537 10.588 1.00 74.22 H +ATOM 602 HB3 ASP A 42 5.140 2.893 11.061 1.00 31.42 H +ATOM 603 N VAL A 43 5.430 1.655 13.664 1.00 34.23 N +ATOM 604 CA VAL A 43 6.339 0.743 14.357 1.00 53.04 C +ATOM 605 C VAL A 43 5.612 0.006 15.480 1.00 34.44 C +ATOM 606 O VAL A 43 5.855 -1.173 15.724 1.00 30.21 O +ATOM 607 CB VAL A 43 7.570 1.487 14.930 1.00 44.40 C +ATOM 608 CG1 VAL A 43 8.462 0.544 15.725 1.00 43.13 C +ATOM 609 CG2 VAL A 43 8.362 2.137 13.807 1.00 25.14 C +ATOM 610 H VAL A 43 5.579 2.624 13.726 1.00 14.01 H +ATOM 611 HA VAL A 43 6.690 0.015 13.636 1.00 23.13 H +ATOM 612 HB VAL A 43 7.222 2.265 15.592 1.00 42.41 H +ATOM 613 HG11 VAL A 43 8.805 -0.254 15.084 1.00 64.42 H +ATOM 614 HG12 VAL A 43 7.900 0.127 16.549 1.00 20.50 H +ATOM 615 HG13 VAL A 43 9.311 1.088 16.110 1.00 43.31 H +ATOM 616 HG21 VAL A 43 9.227 2.639 14.216 1.00 43.03 H +ATOM 617 HG22 VAL A 43 7.738 2.857 13.298 1.00 24.23 H +ATOM 618 HG23 VAL A 43 8.683 1.380 13.107 1.00 41.02 H +ATOM 619 N LEU A 44 4.699 0.702 16.146 1.00 73.54 N +ATOM 620 CA LEU A 44 3.933 0.104 17.234 1.00 3.34 C +ATOM 621 C LEU A 44 2.891 -0.874 16.703 1.00 42.14 C +ATOM 622 O LEU A 44 2.357 -1.691 17.455 1.00 32.10 O +ATOM 623 CB LEU A 44 3.254 1.185 18.077 1.00 34.14 C +ATOM 624 CG LEU A 44 4.209 2.152 18.776 1.00 24.42 C +ATOM 625 CD1 LEU A 44 3.434 3.211 19.544 1.00 74.21 C +ATOM 626 CD2 LEU A 44 5.148 1.397 19.707 1.00 12.43 C +ATOM 627 H LEU A 44 4.543 1.643 15.909 1.00 33.42 H +ATOM 628 HA LEU A 44 4.625 -0.439 17.859 1.00 1.52 H +ATOM 629 HB2 LEU A 44 2.598 1.756 17.433 1.00 31.41 H +ATOM 630 HB3 LEU A 44 2.655 0.699 18.831 1.00 42.21 H +ATOM 631 HG LEU A 44 4.808 2.651 18.029 1.00 0.02 H +ATOM 632 HD11 LEU A 44 2.811 2.735 20.287 1.00 45.03 H +ATOM 633 HD12 LEU A 44 2.813 3.769 18.859 1.00 5.51 H +ATOM 634 HD13 LEU A 44 4.127 3.883 20.031 1.00 31.52 H +ATOM 635 HD21 LEU A 44 5.818 2.096 20.186 1.00 31.53 H +ATOM 636 HD22 LEU A 44 5.721 0.681 19.137 1.00 60.11 H +ATOM 637 HD23 LEU A 44 4.570 0.880 20.458 1.00 73.13 H +ATOM 638 N ASP A 45 2.606 -0.784 15.412 1.00 41.31 N +ATOM 639 CA ASP A 45 1.677 -1.700 14.766 1.00 34.33 C +ATOM 640 C ASP A 45 2.439 -2.860 14.142 1.00 61.42 C +ATOM 641 O ASP A 45 2.150 -4.027 14.407 1.00 43.23 O +ATOM 642 CB ASP A 45 0.859 -0.975 13.697 1.00 65.31 C +ATOM 643 CG ASP A 45 -0.105 -1.903 12.986 1.00 31.04 C +ATOM 644 OD1 ASP A 45 -1.207 -2.145 13.523 1.00 20.41 O +ATOM 645 OD2 ASP A 45 0.226 -2.382 11.880 1.00 72.14 O +ATOM 646 H ASP A 45 3.038 -0.085 14.877 1.00 71.52 H +ATOM 647 HA ASP A 45 1.008 -2.087 15.521 1.00 43.23 H +ATOM 648 HB2 ASP A 45 0.291 -0.185 14.164 1.00 23.55 H +ATOM 649 HB3 ASP A 45 1.530 -0.549 12.965 1.00 30.33 H +ATOM 650 N SER A 46 3.429 -2.526 13.331 1.00 52.51 N +ATOM 651 CA SER A 46 4.260 -3.527 12.687 1.00 61.22 C +ATOM 652 C SER A 46 5.485 -3.805 13.547 1.00 61.20 C +ATOM 653 O SER A 46 6.581 -3.306 13.280 1.00 43.33 O +ATOM 654 CB SER A 46 4.674 -3.058 11.287 1.00 62.35 C +ATOM 655 OG SER A 46 5.451 -4.040 10.618 1.00 22.31 O +ATOM 656 H SER A 46 3.616 -1.572 13.165 1.00 63.54 H +ATOM 657 HA SER A 46 3.680 -4.435 12.599 1.00 5.31 H +ATOM 658 HB2 SER A 46 3.789 -2.862 10.700 1.00 75.05 H +ATOM 659 HB3 SER A 46 5.257 -2.152 11.371 1.00 43.41 H +ATOM 660 HG SER A 46 6.315 -4.095 11.038 1.00 21.45 H +ATOM 661 N VAL A 47 5.284 -4.581 14.602 1.00 23.43 N +ATOM 662 CA VAL A 47 6.353 -4.895 15.535 1.00 63.51 C +ATOM 663 C VAL A 47 7.206 -6.042 15.001 1.00 71.34 C +ATOM 664 O VAL A 47 6.678 -7.045 14.512 1.00 53.44 O +ATOM 665 CB VAL A 47 5.793 -5.270 16.929 1.00 62.50 C +ATOM 666 CG1 VAL A 47 6.918 -5.509 17.928 1.00 41.25 C +ATOM 667 CG2 VAL A 47 4.851 -4.186 17.436 1.00 23.15 C +ATOM 668 H VAL A 47 4.389 -4.953 14.755 1.00 4.41 H +ATOM 669 HA VAL A 47 6.972 -4.017 15.642 1.00 32.44 H +ATOM 670 HB VAL A 47 5.230 -6.187 16.832 1.00 4.04 H +ATOM 671 HG11 VAL A 47 6.499 -5.771 18.888 1.00 22.41 H +ATOM 672 HG12 VAL A 47 7.509 -4.609 18.026 1.00 44.12 H +ATOM 673 HG13 VAL A 47 7.547 -6.314 17.578 1.00 62.04 H +ATOM 674 HG21 VAL A 47 5.394 -3.258 17.540 1.00 20.31 H +ATOM 675 HG22 VAL A 47 4.448 -4.477 18.395 1.00 15.11 H +ATOM 676 HG23 VAL A 47 4.042 -4.052 16.733 1.00 63.14 H +ATOM 677 N LEU A 48 8.518 -5.883 15.075 1.00 31.13 N +ATOM 678 CA LEU A 48 9.438 -6.928 14.660 1.00 0.32 C +ATOM 679 C LEU A 48 9.836 -7.775 15.862 1.00 31.45 C +ATOM 680 O LEU A 48 10.868 -7.465 16.495 1.00 24.33 O +ATOM 681 CB LEU A 48 10.690 -6.330 13.998 1.00 23.14 C +ATOM 682 CG LEU A 48 10.514 -5.814 12.561 1.00 14.23 C +ATOM 683 CD1 LEU A 48 9.928 -6.897 11.669 1.00 45.55 C +ATOM 684 CD2 LEU A 48 9.656 -4.558 12.521 1.00 45.04 C +ATOM 685 OXT LEU A 48 9.099 -8.729 16.183 1.00 0.00 O +ATOM 686 H LEU A 48 8.878 -5.042 15.426 1.00 62.23 H +ATOM 687 HA LEU A 48 8.928 -7.554 13.946 1.00 50.22 H +ATOM 688 HB2 LEU A 48 11.031 -5.508 14.609 1.00 62.44 H +ATOM 689 HB3 LEU A 48 11.457 -7.089 13.988 1.00 44.23 H +ATOM 690 HG LEU A 48 11.486 -5.560 12.166 1.00 5.31 H +ATOM 691 HD11 LEU A 48 9.845 -6.526 10.658 1.00 31.35 H +ATOM 692 HD12 LEU A 48 8.948 -7.175 12.031 1.00 52.54 H +ATOM 693 HD13 LEU A 48 10.575 -7.762 11.681 1.00 10.43 H +ATOM 694 HD21 LEU A 48 8.682 -4.771 12.937 1.00 15.10 H +ATOM 695 HD22 LEU A 48 9.547 -4.229 11.499 1.00 73.42 H +ATOM 696 HD23 LEU A 48 10.132 -3.779 13.100 1.00 63.40 H Added: SwiftApps/modFTdock/input/2no2-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2no2-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2no2-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,812 @@ +ATOM 1 N GLY A 480 -25.680 9.402 101.832 1.00 80.15 N +ATOM 2 CA GLY A 480 -24.520 9.853 102.653 1.00 80.15 C +ATOM 3 C GLY A 480 -23.211 9.949 101.889 1.00 80.15 C +ATOM 4 O GLY A 480 -23.186 9.876 100.662 1.00 80.15 O +ATOM 5 N SER A 481 -22.118 10.117 102.624 1.00 63.18 N +ATOM 6 CA SER A 481 -20.795 10.227 102.027 1.00 63.18 C +ATOM 7 C SER A 481 -20.429 8.932 101.332 1.00 63.18 C +ATOM 8 O SER A 481 -19.746 8.939 100.306 1.00 63.18 O +ATOM 9 CB SER A 481 -19.746 10.551 103.099 1.00 88.14 C +ATOM 10 OG SER A 481 -19.975 11.817 103.697 1.00 88.14 O +ATOM 11 N HIS A 482 -20.882 7.814 101.888 1.00 67.20 N +ATOM 12 CA HIS A 482 -20.587 6.526 101.284 1.00 67.20 C +ATOM 13 C HIS A 482 -21.373 6.404 99.970 1.00 67.20 C +ATOM 14 O HIS A 482 -20.832 6.017 98.934 1.00 67.20 O +ATOM 15 CB HIS A 482 -20.974 5.396 102.237 1.00 56.41 C +ATOM 16 CG HIS A 482 -20.129 4.168 102.094 1.00 56.41 C +ATOM 17 ND1 HIS A 482 -19.725 3.675 100.870 1.00 56.41 N +ATOM 18 CD2 HIS A 482 -19.629 3.318 103.022 1.00 56.41 C +ATOM 19 CE1 HIS A 482 -19.015 2.576 101.048 1.00 56.41 C +ATOM 20 NE2 HIS A 482 -18.943 2.339 102.346 1.00 56.41 N +ATOM 21 N ALA A 483 -22.653 6.743 100.008 1.00 51.23 N +ATOM 22 CA ALA A 483 -23.465 6.666 98.802 1.00 51.23 C +ATOM 23 C ALA A 483 -22.847 7.551 97.734 1.00 51.23 C +ATOM 24 O ALA A 483 -22.667 7.102 96.597 1.00 51.23 O +ATOM 25 CB ALA A 483 -24.901 7.108 99.084 1.00 58.83 C +ATOM 26 N ASP A 484 -22.512 8.795 98.102 1.00 52.19 N +ATOM 27 CA ASP A 484 -21.910 9.756 97.163 1.00 52.19 C +ATOM 28 C ASP A 484 -20.607 9.265 96.567 1.00 52.19 C +ATOM 29 O ASP A 484 -20.442 9.310 95.356 1.00 52.19 O +ATOM 30 CB ASP A 484 -21.669 11.112 97.820 1.00 70.60 C +ATOM 31 CG ASP A 484 -22.947 11.771 98.264 1.00 70.60 C +ATOM 32 OD1 ASP A 484 -23.958 11.668 97.535 1.00 70.60 O +ATOM 33 OD2 ASP A 484 -22.933 12.399 99.340 1.00 70.60 O +ATOM 34 N LEU A 485 -19.680 8.797 97.398 1.00 43.70 N +ATOM 35 CA LEU A 485 -18.413 8.286 96.873 1.00 43.70 C +ATOM 36 C LEU A 485 -18.632 7.114 95.903 1.00 43.70 C +ATOM 37 O LEU A 485 -18.035 7.069 94.817 1.00 43.70 O +ATOM 38 CB LEU A 485 -17.494 7.867 98.024 1.00 55.86 C +ATOM 39 CG LEU A 485 -16.457 8.910 98.472 1.00 55.86 C +ATOM 40 CD1 LEU A 485 -17.129 10.253 98.765 1.00 55.86 C +ATOM 41 CD2 LEU A 485 -15.725 8.380 99.695 1.00 55.86 C +ATOM 42 N LEU A 486 -19.498 6.175 96.292 1.00 52.08 N +ATOM 43 CA LEU A 486 -19.823 5.017 95.462 1.00 52.08 C +ATOM 44 C LEU A 486 -20.447 5.438 94.133 1.00 52.08 C +ATOM 45 O LEU A 486 -20.138 4.871 93.080 1.00 52.08 O +ATOM 46 CB LEU A 486 -20.782 4.096 96.208 1.00 49.99 C +ATOM 47 CG LEU A 486 -20.078 3.090 97.118 1.00 49.99 C +ATOM 48 CD1 LEU A 486 -21.119 2.273 97.869 1.00 49.99 C +ATOM 49 CD2 LEU A 486 -19.170 2.183 96.284 1.00 49.99 C +ATOM 50 N ARG A 487 -21.332 6.430 94.188 1.00 50.99 N +ATOM 51 CA ARG A 487 -21.979 6.919 92.987 1.00 50.99 C +ATOM 52 C ARG A 487 -20.960 7.668 92.155 1.00 50.99 C +ATOM 53 O ARG A 487 -20.821 7.420 90.956 1.00 50.99 O +ATOM 54 CB ARG A 487 -23.126 7.848 93.334 1.00100.33 C +ATOM 55 CG ARG A 487 -23.912 8.251 92.124 1.00100.33 C +ATOM 56 CD ARG A 487 -25.021 9.159 92.527 1.00100.33 C +ATOM 57 NE ARG A 487 -24.495 10.383 93.113 1.00100.33 N +ATOM 58 CZ ARG A 487 -25.069 11.033 94.121 1.00100.33 C +ATOM 59 NH1 ARG A 487 -26.193 10.572 94.665 1.00100.33 N +ATOM 60 NH2 ARG A 487 -24.517 12.150 94.584 1.00100.33 N +ATOM 61 N LYS A 488 -20.238 8.575 92.813 1.00 67.92 N +ATOM 62 CA LYS A 488 -19.205 9.401 92.184 1.00 67.92 C +ATOM 63 C LYS A 488 -18.204 8.510 91.467 1.00 67.92 C +ATOM 64 O LYS A 488 -17.892 8.722 90.301 1.00 67.92 O +ATOM 65 CB LYS A 488 -18.489 10.239 93.249 1.00134.73 C +ATOM 66 CG LYS A 488 -17.998 11.599 92.781 1.00134.73 C +ATOM 67 CD LYS A 488 -17.494 12.431 93.964 1.00134.73 C +ATOM 68 CE LYS A 488 -18.592 12.687 95.002 1.00134.73 C +ATOM 69 NZ LYS A 488 -18.097 13.355 96.241 1.00134.73 N +ATOM 70 N ASN A 489 -17.716 7.496 92.166 1.00 67.08 N +ATOM 71 CA ASN A 489 -16.753 6.598 91.572 1.00 67.08 C +ATOM 72 C ASN A 489 -17.303 5.834 90.374 1.00 67.08 C +ATOM 73 O ASN A 489 -16.571 5.571 89.416 1.00 67.08 O +ATOM 74 CB ASN A 489 -16.233 5.622 92.619 1.00 66.55 C +ATOM 75 CG ASN A 489 -15.279 4.600 92.035 1.00 66.55 C +ATOM 76 OD1 ASN A 489 -15.644 3.451 91.803 1.00 66.55 O +ATOM 77 ND2 ASN A 489 -14.049 5.021 91.783 1.00 66.55 N +ATOM 78 N ALA A 490 -18.585 5.480 90.414 1.00 66.00 N +ATOM 79 CA ALA A 490 -19.200 4.733 89.309 1.00 66.00 C +ATOM 80 C ALA A 490 -19.195 5.549 88.024 1.00 66.00 C +ATOM 81 O ALA A 490 -19.047 5.006 86.926 1.00 66.00 O +ATOM 82 CB ALA A 490 -20.618 4.343 89.667 1.00 58.18 C +ATOM 83 N GLU A 491 -19.368 6.857 88.183 1.00 69.58 N +ATOM 84 CA GLU A 491 -19.361 7.789 87.069 1.00 69.58 C +ATOM 85 C GLU A 491 -17.946 7.892 86.472 1.00 69.58 C +ATOM 86 O GLU A 491 -17.768 7.801 85.255 1.00 69.58 O +ATOM 87 CB GLU A 491 -19.836 9.165 87.546 1.00126.51 C +ATOM 88 CG GLU A 491 -19.811 10.249 86.483 1.00126.51 C +ATOM 89 CD GLU A 491 -20.701 9.934 85.291 1.00126.51 C +ATOM 90 OE1 GLU A 491 -20.500 8.878 84.652 1.00126.51 O +ATOM 91 OE2 GLU A 491 -21.601 10.747 84.986 1.00126.51 O +ATOM 92 N VAL A 492 -16.938 8.063 87.323 1.00 73.56 N +ATOM 93 CA VAL A 492 -15.570 8.181 86.832 1.00 73.56 C +ATOM 94 C VAL A 492 -15.199 6.980 85.979 1.00 73.56 C +ATOM 95 O VAL A 492 -14.474 7.111 84.995 1.00 73.56 O +ATOM 96 CB VAL A 492 -14.548 8.328 87.988 1.00 50.55 C +ATOM 97 CG1 VAL A 492 -13.134 8.252 87.445 1.00 50.55 C +ATOM 98 CG2 VAL A 492 -14.752 9.662 88.685 1.00 50.55 C +ATOM 99 N THR A 493 -15.703 5.810 86.345 1.00 66.02 N +ATOM 100 CA THR A 493 -15.415 4.602 85.583 1.00 66.02 C +ATOM 101 C THR A 493 -16.044 4.680 84.188 1.00 66.02 C +ATOM 102 O THR A 493 -15.434 4.284 83.189 1.00 66.02 O +ATOM 103 CB THR A 493 -15.943 3.375 86.313 1.00 64.33 C +ATOM 104 OG1 THR A 493 -15.247 3.237 87.557 1.00 64.33 O +ATOM 105 CG2 THR A 493 -15.735 2.141 85.484 1.00 64.33 C +ATOM 106 N LYS A 494 -17.269 5.190 84.131 1.00 49.82 N +ATOM 107 CA LYS A 494 -17.971 5.352 82.873 1.00 49.82 C +ATOM 108 C LYS A 494 -17.237 6.362 81.983 1.00 49.82 C +ATOM 109 O LYS A 494 -17.097 6.145 80.774 1.00 49.82 O +ATOM 110 CB LYS A 494 -19.406 5.816 83.136 1.00 86.44 C +ATOM 111 CG LYS A 494 -20.403 4.677 83.291 1.00 86.44 C +ATOM 112 CD LYS A 494 -20.522 3.910 81.964 1.00 86.44 C +ATOM 113 CE LYS A 494 -21.617 2.824 81.963 1.00 86.44 C +ATOM 114 NZ LYS A 494 -21.805 2.214 80.602 1.00 86.44 N +ATOM 115 N GLN A 495 -16.762 7.463 82.569 1.00 59.70 N +ATOM 116 CA GLN A 495 -16.044 8.484 81.797 1.00 59.70 C +ATOM 117 C GLN A 495 -14.727 7.926 81.262 1.00 59.70 C +ATOM 118 O GLN A 495 -14.358 8.156 80.107 1.00 59.70 O +ATOM 119 CB GLN A 495 -15.784 9.713 82.660 1.00 91.11 C +ATOM 120 CG GLN A 495 -17.039 10.234 83.300 1.00 91.11 C +ATOM 121 CD GLN A 495 -16.867 11.625 83.843 1.00 91.11 C +ATOM 122 OE1 GLN A 495 -16.755 12.579 83.080 1.00 91.11 O +ATOM 123 NE2 GLN A 495 -16.835 11.757 85.169 1.00 91.11 N +ATOM 124 N VAL A 496 -14.014 7.189 82.103 1.00 53.19 N +ATOM 125 CA VAL A 496 -12.771 6.588 81.656 1.00 53.19 C +ATOM 126 C VAL A 496 -13.068 5.782 80.416 1.00 53.19 C +ATOM 127 O VAL A 496 -12.383 5.919 79.416 1.00 53.19 O +ATOM 128 CB VAL A 496 -12.186 5.634 82.684 1.00 44.29 C +ATOM 129 CG1 VAL A 496 -10.983 4.910 82.097 1.00 44.29 C +ATOM 130 CG2 VAL A 496 -11.800 6.411 83.919 1.00 44.29 C +ATOM 131 N SER A 497 -14.095 4.941 80.487 1.00 58.91 N +ATOM 132 CA SER A 497 -14.471 4.110 79.354 1.00 58.91 C +ATOM 133 C SER A 497 -14.757 4.976 78.124 1.00 58.91 C +ATOM 134 O SER A 497 -14.271 4.681 77.024 1.00 58.91 O +ATOM 135 CB SER A 497 -15.697 3.264 79.710 1.00 84.07 C +ATOM 136 OG SER A 497 -15.946 2.272 78.730 1.00 84.07 O +ATOM 137 N MET A 498 -15.530 6.048 78.309 1.00 67.05 N +ATOM 138 CA MET A 498 -15.864 6.948 77.201 1.00 67.05 C +ATOM 139 C MET A 498 -14.616 7.594 76.579 1.00 67.05 C +ATOM 140 O MET A 498 -14.521 7.731 75.356 1.00 67.05 O +ATOM 141 CB MET A 498 -16.810 8.049 77.678 1.00 80.19 C +ATOM 142 CG MET A 498 -18.157 7.565 78.169 1.00 80.19 C +ATOM 143 SD MET A 498 -19.211 8.952 78.678 1.00 80.19 S +ATOM 144 CE MET A 498 -19.480 9.735 77.056 1.00 80.19 C +ATOM 145 N ALA A 499 -13.669 7.998 77.428 1.00 59.20 N +ATOM 146 CA ALA A 499 -12.430 8.616 76.961 1.00 59.20 C +ATOM 147 C ALA A 499 -11.622 7.599 76.173 1.00 59.20 C +ATOM 148 O ALA A 499 -11.051 7.926 75.135 1.00 59.20 O +ATOM 149 CB ALA A 499 -11.607 9.132 78.143 1.00 54.62 C +ATOM 150 N ARG A 500 -11.575 6.364 76.661 1.00 65.93 N +ATOM 151 CA ARG A 500 -10.828 5.321 75.974 1.00 65.93 C +ATOM 152 C ARG A 500 -11.463 5.084 74.608 1.00 65.93 C +ATOM 153 O ARG A 500 -10.790 4.674 73.657 1.00 65.93 O +ATOM 154 CB ARG A 500 -10.837 4.038 76.795 1.00152.19 C +ATOM 155 CG ARG A 500 -9.789 3.026 76.388 1.00152.19 C +ATOM 156 CD ARG A 500 -9.243 2.367 77.636 1.00152.19 C +ATOM 157 NE ARG A 500 -10.325 2.043 78.563 1.00152.19 N +ATOM 158 CZ ARG A 500 -10.161 1.798 79.860 1.00152.19 C +ATOM 159 NH1 ARG A 500 -8.950 1.839 80.399 1.00152.19 N +ATOM 160 NH2 ARG A 500 -11.214 1.518 80.620 1.00152.19 N +ATOM 161 N GLN A 501 -12.761 5.364 74.508 1.00 44.63 N +ATOM 162 CA GLN A 501 -13.478 5.187 73.255 1.00 44.63 C +ATOM 163 C GLN A 501 -13.144 6.322 72.308 1.00 44.63 C +ATOM 164 O GLN A 501 -12.919 6.086 71.123 1.00 44.63 O +ATOM 165 CB GLN A 501 -14.983 5.152 73.501 1.00 82.14 C +ATOM 166 CG GLN A 501 -15.800 4.757 72.288 1.00 82.14 C +ATOM 167 CD GLN A 501 -15.294 3.481 71.648 1.00 82.14 C +ATOM 168 OE1 GLN A 501 -14.812 2.573 72.332 1.00 82.14 O +ATOM 169 NE2 GLN A 501 -15.414 3.398 70.327 1.00 82.14 N +ATOM 170 N ALA A 502 -13.124 7.553 72.823 1.00 54.58 N +ATOM 171 CA ALA A 502 -12.782 8.731 72.009 1.00 54.58 C +ATOM 172 C ALA A 502 -11.405 8.491 71.401 1.00 54.58 C +ATOM 173 O ALA A 502 -11.148 8.820 70.239 1.00 54.58 O +ATOM 174 CB ALA A 502 -12.754 9.970 72.871 1.00 65.75 C +ATOM 175 N GLN A 503 -10.526 7.912 72.215 1.00 54.48 N +ATOM 176 CA GLN A 503 -9.178 7.557 71.795 1.00 54.48 C +ATOM 177 C GLN A 503 -9.328 6.728 70.512 1.00 54.48 C +ATOM 178 O GLN A 503 -8.859 7.116 69.443 1.00 54.48 O +ATOM 179 CB GLN A 503 -8.520 6.696 72.868 1.00102.77 C +ATOM 180 CG GLN A 503 -7.027 6.832 72.952 1.00102.77 C +ATOM 181 CD GLN A 503 -6.613 7.785 74.043 1.00102.77 C +ATOM 182 OE1 GLN A 503 -5.427 8.033 74.248 1.00102.77 O +ATOM 183 NE2 GLN A 503 -7.593 8.326 74.759 1.00102.77 N +ATOM 184 N VAL A 504 -10.004 5.588 70.629 1.00 62.74 N +ATOM 185 CA VAL A 504 -10.236 4.689 69.504 1.00 62.74 C +ATOM 186 C VAL A 504 -10.862 5.357 68.292 1.00 62.74 C +ATOM 187 O VAL A 504 -10.352 5.237 67.182 1.00 62.74 O +ATOM 188 CB VAL A 504 -11.143 3.538 69.916 1.00 70.98 C +ATOM 189 CG1 VAL A 504 -11.487 2.693 68.710 1.00 70.98 C +ATOM 190 CG2 VAL A 504 -10.456 2.713 70.972 1.00 70.98 C +ATOM 191 N ASP A 505 -11.978 6.045 68.501 1.00 62.22 N +ATOM 192 CA ASP A 505 -12.661 6.725 67.404 1.00 62.22 C +ATOM 193 C ASP A 505 -11.796 7.811 66.745 1.00 62.22 C +ATOM 194 O ASP A 505 -11.755 7.917 65.518 1.00 62.22 O +ATOM 195 CB ASP A 505 -13.984 7.329 67.894 1.00 93.88 C +ATOM 196 CG ASP A 505 -15.002 6.270 68.282 1.00 93.88 C +ATOM 197 OD1 ASP A 505 -15.267 5.371 67.452 1.00 93.88 O +ATOM 198 OD2 ASP A 505 -15.539 6.338 69.409 1.00 93.88 O +ATOM 199 N LEU A 506 -11.107 8.616 67.549 1.00 52.09 N +ATOM 200 CA LEU A 506 -10.253 9.665 67.002 1.00 52.09 C +ATOM 201 C LEU A 506 -9.074 9.082 66.223 1.00 52.09 C +ATOM 202 O LEU A 506 -8.858 9.425 65.057 1.00 52.09 O +ATOM 203 CB LEU A 506 -9.749 10.565 68.129 1.00 45.15 C +ATOM 204 CG LEU A 506 -10.504 11.890 68.302 1.00 45.15 C +ATOM 205 CD1 LEU A 506 -11.827 11.895 67.533 1.00 45.15 C +ATOM 206 CD2 LEU A 506 -10.708 12.121 69.791 1.00 45.15 C +ATOM 207 N GLU A 507 -8.318 8.194 66.864 1.00 86.15 N +ATOM 208 CA GLU A 507 -7.169 7.568 66.223 1.00 86.15 C +ATOM 209 C GLU A 507 -7.544 6.922 64.898 1.00 86.15 C +ATOM 210 O GLU A 507 -6.713 6.783 64.007 1.00 86.15 O +ATOM 211 CB GLU A 507 -6.559 6.529 67.155 1.00137.01 C +ATOM 212 CG GLU A 507 -5.743 7.137 68.264 1.00137.01 C +ATOM 213 CD GLU A 507 -5.508 6.167 69.395 1.00137.01 C +ATOM 214 OE1 GLU A 507 -5.255 4.976 69.117 1.00137.01 O +ATOM 215 OE2 GLU A 507 -5.569 6.598 70.564 1.00137.01 O +ATOM 216 N ARG A 508 -8.805 6.535 64.770 1.00 72.65 N +ATOM 217 CA ARG A 508 -9.294 5.906 63.554 1.00 72.65 C +ATOM 218 C ARG A 508 -9.708 6.976 62.537 1.00 72.65 C +ATOM 219 O ARG A 508 -9.432 6.864 61.337 1.00 72.65 O +ATOM 220 CB ARG A 508 -10.473 5.000 63.904 1.00137.92 C +ATOM 221 CG ARG A 508 -11.084 4.273 62.740 1.00137.92 C +ATOM 222 CD ARG A 508 -11.981 5.179 61.934 1.00137.92 C +ATOM 223 NE ARG A 508 -13.130 4.430 61.459 1.00137.92 N +ATOM 224 CZ ARG A 508 -14.037 3.882 62.262 1.00137.92 C +ATOM 225 NH1 ARG A 508 -13.929 4.011 63.581 1.00137.92 N +ATOM 226 NH2 ARG A 508 -15.043 3.187 61.746 1.00137.92 N +ATOM 227 N GLU A 509 -10.374 8.018 63.018 1.00 73.49 N +ATOM 228 CA GLU A 509 -10.806 9.103 62.147 1.00 73.49 C +ATOM 229 C GLU A 509 -9.587 9.783 61.556 1.00 73.49 C +ATOM 230 O GLU A 509 -9.635 10.343 60.469 1.00 73.49 O +ATOM 231 CB GLU A 509 -11.626 10.114 62.941 1.00 76.80 C +ATOM 232 CG GLU A 509 -11.783 11.449 62.267 1.00 76.80 C +ATOM 233 CD GLU A 509 -12.737 12.342 63.026 1.00 76.80 C +ATOM 234 OE1 GLU A 509 -12.781 12.220 64.270 1.00 76.80 O +ATOM 235 OE2 GLU A 509 -13.438 13.166 62.392 1.00 76.80 O +ATOM 236 N LYS A 510 -8.484 9.727 62.285 1.00 82.35 N +ATOM 237 CA LYS A 510 -7.273 10.352 61.814 1.00 82.35 C +ATOM 238 C LYS A 510 -6.598 9.509 60.752 1.00 82.35 C +ATOM 239 O LYS A 510 -5.840 10.027 59.940 1.00 82.35 O +ATOM 240 CB LYS A 510 -6.304 10.594 62.969 1.00 90.81 C +ATOM 241 CG LYS A 510 -5.125 11.427 62.535 1.00 90.81 C +ATOM 242 CD LYS A 510 -4.157 11.707 63.640 1.00 90.81 C +ATOM 243 CE LYS A 510 -3.032 12.554 63.103 1.00 90.81 C +ATOM 244 NZ LYS A 510 -1.958 12.710 64.104 1.00 90.81 N +ATOM 245 N LYS A 511 -6.866 8.209 60.756 1.00 68.14 N +ATOM 246 CA LYS A 511 -6.257 7.326 59.770 1.00 68.14 C +ATOM 247 C LYS A 511 -6.819 7.615 58.383 1.00 68.14 C +ATOM 248 O LYS A 511 -6.117 7.468 57.383 1.00 68.14 O +ATOM 249 CB LYS A 511 -6.503 5.856 60.118 1.00136.83 C +ATOM 250 CG LYS A 511 -5.871 4.890 59.122 1.00136.83 C +ATOM 251 CD LYS A 511 -6.452 3.487 59.247 1.00136.83 C +ATOM 252 CE LYS A 511 -5.930 2.569 58.146 1.00136.83 C +ATOM 253 NZ LYS A 511 -6.568 1.223 58.175 1.00136.83 N +ATOM 254 N GLU A 512 -8.082 8.028 58.312 1.00 74.39 N +ATOM 255 CA GLU A 512 -8.673 8.315 57.015 1.00 74.39 C +ATOM 256 C GLU A 512 -8.319 9.720 56.544 1.00 74.39 C +ATOM 257 O GLU A 512 -8.323 9.998 55.342 1.00 74.39 O +ATOM 258 CB GLU A 512 -10.186 8.102 57.055 1.00105.04 C +ATOM 259 CG GLU A 512 -10.885 8.826 58.158 1.00105.04 C +ATOM 260 CD GLU A 512 -12.328 8.401 58.281 1.00105.04 C +ATOM 261 OE1 GLU A 512 -12.576 7.260 58.740 1.00105.04 O +ATOM 262 OE2 GLU A 512 -13.212 9.206 57.907 1.00105.04 O +ATOM 263 N LEU A 513 -8.005 10.605 57.486 1.00 57.24 N +ATOM 264 CA LEU A 513 -7.597 11.962 57.132 1.00 57.24 C +ATOM 265 C LEU A 513 -6.205 11.814 56.534 1.00 57.24 C +ATOM 266 O LEU A 513 -5.889 12.412 55.506 1.00 57.24 O +ATOM 267 CB LEU A 513 -7.553 12.848 58.372 1.00 53.32 C +ATOM 268 CG LEU A 513 -8.939 13.324 58.804 1.00 53.32 C +ATOM 269 CD1 LEU A 513 -8.884 13.910 60.194 1.00 53.32 C +ATOM 270 CD2 LEU A 513 -9.447 14.343 57.816 1.00 53.32 C +ATOM 271 N GLU A 514 -5.390 10.987 57.185 1.00 59.32 N +ATOM 272 CA GLU A 514 -4.035 10.701 56.736 1.00 59.32 C +ATOM 273 C GLU A 514 -4.097 10.220 55.291 1.00 59.32 C +ATOM 274 O GLU A 514 -3.368 10.711 54.439 1.00 59.32 O +ATOM 275 CB GLU A 514 -3.408 9.604 57.591 1.00105.93 C +ATOM 276 CG GLU A 514 -2.078 9.967 58.198 1.00105.93 C +ATOM 277 CD GLU A 514 -2.226 10.730 59.495 1.00105.93 C +ATOM 278 OE1 GLU A 514 -2.869 11.800 59.491 1.00105.93 O +ATOM 279 OE2 GLU A 514 -1.698 10.257 60.523 1.00105.93 O +ATOM 280 N ASP A 515 -4.968 9.256 55.013 1.00 71.91 N +ATOM 281 CA ASP A 515 -5.087 8.733 53.657 1.00 71.91 C +ATOM 282 C ASP A 515 -5.602 9.787 52.686 1.00 71.91 C +ATOM 283 O ASP A 515 -4.983 10.040 51.655 1.00 71.91 O +ATOM 284 CB ASP A 515 -6.004 7.508 53.626 1.00114.02 C +ATOM 285 CG ASP A 515 -5.434 6.339 54.399 1.00114.02 C +ATOM 286 OD1 ASP A 515 -4.197 6.169 54.379 1.00114.02 O +ATOM 287 OD2 ASP A 515 -6.215 5.583 55.014 1.00114.02 O +ATOM 288 N SER A 516 -6.733 10.405 53.012 1.00 69.98 N +ATOM 289 CA SER A 516 -7.304 11.423 52.145 1.00 69.98 C +ATOM 290 C SER A 516 -6.270 12.497 51.820 1.00 69.98 C +ATOM 291 O SER A 516 -6.133 12.921 50.670 1.00 69.98 O +ATOM 292 CB SER A 516 -8.525 12.051 52.811 1.00 90.25 C +ATOM 293 OG SER A 516 -9.511 11.068 53.061 1.00 90.25 O +ATOM 294 N LEU A 517 -5.534 12.938 52.834 1.00 59.30 N +ATOM 295 CA LEU A 517 -4.515 13.955 52.620 1.00 59.30 C +ATOM 296 C LEU A 517 -3.450 13.411 51.659 1.00 59.30 C +ATOM 297 O LEU A 517 -3.075 14.069 50.687 1.00 59.30 O +ATOM 298 CB LEU A 517 -3.891 14.356 53.962 1.00 53.16 C +ATOM 299 CG LEU A 517 -4.038 15.809 54.473 1.00 53.16 C +ATOM 300 CD1 LEU A 517 -4.846 16.687 53.522 1.00 53.16 C +ATOM 301 CD2 LEU A 517 -4.686 15.781 55.856 1.00 53.16 C +ATOM 302 N GLU A 518 -2.989 12.192 51.920 1.00 73.80 N +ATOM 303 CA GLU A 518 -1.973 11.559 51.089 1.00 73.80 C +ATOM 304 C GLU A 518 -2.420 11.446 49.638 1.00 73.80 C +ATOM 305 O GLU A 518 -1.589 11.424 48.734 1.00 73.80 O +ATOM 306 CB GLU A 518 -1.638 10.176 51.638 1.00156.95 C +ATOM 307 CG GLU A 518 -0.468 9.506 50.959 1.00156.95 C +ATOM 308 CD GLU A 518 -0.110 8.191 51.614 1.00156.95 C +ATOM 309 OE1 GLU A 518 0.192 8.195 52.827 1.00156.95 O +ATOM 310 OE2 GLU A 518 -0.133 7.153 50.920 1.00156.95 O +ATOM 311 N ARG A 519 -3.729 11.372 49.411 1.00 85.09 N +ATOM 312 CA ARG A 519 -4.247 11.278 48.051 1.00 85.09 C +ATOM 313 C ARG A 519 -4.372 12.655 47.409 1.00 85.09 C +ATOM 314 O ARG A 519 -3.769 12.907 46.371 1.00 85.09 O +ATOM 315 CB ARG A 519 -5.624 10.611 48.011 1.00137.07 C +ATOM 316 CG ARG A 519 -5.671 9.171 48.463 1.00137.07 C +ATOM 317 CD ARG A 519 -7.004 8.545 48.070 1.00137.07 C +ATOM 318 NE ARG A 519 -7.432 7.514 49.013 1.00137.07 N +ATOM 319 CZ ARG A 519 -7.968 7.762 50.207 1.00137.07 C +ATOM 320 NH1 ARG A 519 -8.154 9.012 50.610 1.00137.07 N +ATOM 321 NH2 ARG A 519 -8.309 6.760 51.008 1.00137.07 N +ATOM 322 N ILE A 520 -5.158 13.543 48.020 1.00 66.72 N +ATOM 323 CA ILE A 520 -5.369 14.892 47.475 1.00 66.72 C +ATOM 324 C ILE A 520 -4.047 15.585 47.183 1.00 66.72 C +ATOM 325 O ILE A 520 -4.001 16.559 46.436 1.00 66.72 O +ATOM 326 CB ILE A 520 -6.187 15.793 48.437 1.00 65.05 C +ATOM 327 CG1 ILE A 520 -6.644 17.052 47.700 1.00 65.05 C +ATOM 328 CG2 ILE A 520 -5.339 16.194 49.642 1.00 65.05 C +ATOM 329 CD1 ILE A 520 -7.462 18.005 48.549 1.00 65.05 C +ATOM 330 N SER A 521 -2.973 15.080 47.783 1.00 63.46 N +ATOM 331 CA SER A 521 -1.651 15.648 47.573 1.00 63.46 C +ATOM 332 C SER A 521 -1.033 14.946 46.380 1.00 63.46 C +ATOM 333 O SER A 521 -0.550 15.579 45.447 1.00 63.46 O +ATOM 334 CB SER A 521 -0.782 15.434 48.810 1.00 81.59 C +ATOM 335 OG SER A 521 0.514 15.961 48.607 1.00 81.59 O +ATOM 336 N ASP A 522 -1.059 13.623 46.427 1.00114.66 N +ATOM 337 CA ASP A 522 -0.519 12.805 45.359 1.00114.66 C +ATOM 338 C ASP A 522 -1.149 13.242 44.030 1.00114.66 C +ATOM 339 O ASP A 522 -0.460 13.385 43.024 1.00114.66 O +ATOM 340 CB ASP A 522 -0.841 11.339 45.649 1.00156.64 C +ATOM 341 CG ASP A 522 0.106 10.385 44.965 1.00156.64 C +ATOM 342 OD1 ASP A 522 0.180 10.405 43.718 1.00156.64 O +ATOM 343 OD2 ASP A 522 0.775 9.610 45.682 1.00156.64 O +ATOM 344 N GLN A 523 -2.461 13.469 44.038 1.00106.93 N +ATOM 345 CA GLN A 523 -3.178 13.879 42.836 1.00106.93 C +ATOM 346 C GLN A 523 -2.807 15.294 42.439 1.00106.93 C +ATOM 347 O GLN A 523 -2.622 15.589 41.264 1.00106.93 O +ATOM 348 CB GLN A 523 -4.692 13.801 43.055 1.00165.02 C +ATOM 349 CG GLN A 523 -5.219 12.410 43.376 1.00165.02 C +ATOM 350 CD GLN A 523 -4.906 11.390 42.294 1.00165.02 C +ATOM 351 OE1 GLN A 523 -5.222 11.590 41.121 1.00165.02 O +ATOM 352 NE2 GLN A 523 -4.289 10.282 42.689 1.00165.02 N +ATOM 353 N GLY A 524 -2.695 16.170 43.427 1.00 92.74 N +ATOM 354 CA GLY A 524 -2.355 17.554 43.145 1.00 92.74 C +ATOM 355 C GLY A 524 -0.983 17.774 42.534 1.00 92.74 C +ATOM 356 O GLY A 524 -0.773 18.727 41.785 1.00 92.74 O +ATOM 357 N GLN A 525 -0.038 16.900 42.848 1.00104.08 N +ATOM 358 CA GLN A 525 1.297 17.050 42.310 1.00104.08 C +ATOM 359 C GLN A 525 1.390 16.508 40.889 1.00104.08 C +ATOM 360 O GLN A 525 2.278 16.897 40.128 1.00104.08 O +ATOM 361 CB GLN A 525 2.302 16.349 43.213 1.00145.83 C +ATOM 362 CG GLN A 525 3.733 16.557 42.791 1.00145.83 C +ATOM 363 CD GLN A 525 4.620 16.944 43.949 1.00145.83 C +ATOM 364 OE1 GLN A 525 4.492 18.036 44.509 1.00145.83 O +ATOM 365 NE2 GLN A 525 5.526 16.047 44.325 1.00145.83 N +ATOM 366 N ARG A 526 0.477 15.612 40.524 1.00 88.16 N +ATOM 367 CA ARG A 526 0.495 15.057 39.178 1.00 88.16 C +ATOM 368 C ARG A 526 -0.271 15.985 38.245 1.00 88.16 C +ATOM 369 O ARG A 526 0.021 16.046 37.056 1.00 88.16 O +ATOM 370 CB ARG A 526 -0.122 13.657 39.142 1.00145.75 C +ATOM 371 CG ARG A 526 -1.631 13.640 39.004 1.00145.75 C +ATOM 372 CD ARG A 526 -2.161 12.224 39.047 1.00145.75 C +ATOM 373 NE ARG A 526 -1.668 11.516 40.226 1.00145.75 N +ATOM 374 CZ ARG A 526 -2.150 10.358 40.663 1.00145.75 C +ATOM 375 NH1 ARG A 526 -3.148 9.768 40.018 1.00145.75 N +ATOM 376 NH2 ARG A 526 -1.638 9.790 41.747 1.00145.75 N +ATOM 377 N LYS A 527 -1.256 16.705 38.776 1.00 77.87 N +ATOM 378 CA LYS A 527 -2.014 17.632 37.946 1.00 77.87 C +ATOM 379 C LYS A 527 -1.102 18.782 37.551 1.00 77.87 C +ATOM 380 O LYS A 527 -1.182 19.303 36.439 1.00 77.87 O +ATOM 381 CB LYS A 527 -3.236 18.159 38.691 1.00123.07 C +ATOM 382 CG LYS A 527 -4.389 17.186 38.693 1.00123.07 C +ATOM 383 CD LYS A 527 -5.691 17.904 38.941 1.00123.07 C +ATOM 384 CE LYS A 527 -6.865 17.027 38.568 1.00123.07 C +ATOM 385 NZ LYS A 527 -8.134 17.804 38.534 1.00123.07 N +ATOM 386 N THR A 528 -0.230 19.166 38.475 1.00 79.69 N +ATOM 387 CA THR A 528 0.737 20.225 38.234 1.00 79.69 C +ATOM 388 C THR A 528 1.654 19.797 37.087 1.00 79.69 C +ATOM 389 O THR A 528 2.096 20.619 36.293 1.00 79.69 O +ATOM 390 CB THR A 528 1.571 20.486 39.501 1.00 74.29 C +ATOM 391 OG1 THR A 528 0.746 21.131 40.473 1.00 74.29 O +ATOM 392 CG2 THR A 528 2.767 21.366 39.205 1.00 74.29 C +ATOM 393 N GLN A 529 1.935 18.503 37.004 1.00 78.61 N +ATOM 394 CA GLN A 529 2.784 17.984 35.944 1.00 78.61 C +ATOM 395 C GLN A 529 2.084 18.020 34.595 1.00 78.61 C +ATOM 396 O GLN A 529 2.542 18.685 33.675 1.00 78.61 O +ATOM 397 CB GLN A 529 3.208 16.557 36.259 1.00104.47 C +ATOM 398 CG GLN A 529 4.543 16.501 36.913 1.00104.47 C +ATOM 399 CD GLN A 529 5.551 17.299 36.132 1.00104.47 C +ATOM 400 OE1 GLN A 529 5.672 17.141 34.914 1.00104.47 O +ATOM 401 NE2 GLN A 529 6.280 18.169 36.821 1.00104.47 N +ATOM 402 N GLU A 530 0.974 17.300 34.480 1.00 79.03 N +ATOM 403 CA GLU A 530 0.223 17.267 33.238 1.00 79.03 C +ATOM 404 C GLU A 530 0.165 18.664 32.651 1.00 79.03 C +ATOM 405 O GLU A 530 0.423 18.857 31.466 1.00 79.03 O +ATOM 406 CB GLU A 530 -1.191 16.770 33.492 1.00129.32 C +ATOM 407 CG GLU A 530 -1.244 15.505 34.304 1.00129.32 C +ATOM 408 CD GLU A 530 -2.661 15.080 34.588 1.00129.32 C +ATOM 409 OE1 GLU A 530 -2.858 14.210 35.467 1.00129.32 O +ATOM 410 OE2 GLU A 530 -3.575 15.619 33.924 1.00129.32 O +ATOM 411 N GLN A 531 -0.168 19.639 33.487 1.00 70.77 N +ATOM 412 CA GLN A 531 -0.259 21.023 33.045 1.00 70.77 C +ATOM 413 C GLN A 531 1.063 21.485 32.414 1.00 70.77 C +ATOM 414 O GLN A 531 1.087 21.967 31.268 1.00 70.77 O +ATOM 415 CB GLN A 531 -0.631 21.909 34.232 1.00 78.34 C +ATOM 416 CG GLN A 531 -0.963 23.338 33.878 1.00 78.34 C +ATOM 417 CD GLN A 531 -1.908 23.423 32.707 1.00 78.34 C +ATOM 418 OE1 GLN A 531 -2.813 22.603 32.570 1.00 78.34 O +ATOM 419 NE2 GLN A 531 -1.711 24.424 31.857 1.00 78.34 N +ATOM 420 N LEU A 532 2.165 21.334 33.147 1.00 64.12 N +ATOM 421 CA LEU A 532 3.469 21.726 32.618 1.00 64.12 C +ATOM 422 C LEU A 532 3.735 21.040 31.271 1.00 64.12 C +ATOM 423 O LEU A 532 4.344 21.633 30.387 1.00 64.12 O +ATOM 424 CB LEU A 532 4.576 21.371 33.612 1.00 52.16 C +ATOM 425 CG LEU A 532 4.485 22.068 34.974 1.00 52.16 C +ATOM 426 CD1 LEU A 532 5.416 21.384 35.968 1.00 52.16 C +ATOM 427 CD2 LEU A 532 4.838 23.534 34.839 1.00 52.16 C +ATOM 428 N GLU A 533 3.267 19.801 31.122 1.00 53.07 N +ATOM 429 CA GLU A 533 3.446 19.045 29.889 1.00 53.07 C +ATOM 430 C GLU A 533 2.480 19.533 28.809 1.00 53.07 C +ATOM 431 O GLU A 533 2.757 19.411 27.600 1.00 53.07 O +ATOM 432 CB GLU A 533 3.241 17.552 30.142 1.00120.45 C +ATOM 433 CG GLU A 533 4.260 16.968 31.101 1.00120.45 C +ATOM 434 CD GLU A 533 4.062 15.490 31.344 1.00120.45 C +ATOM 435 OE1 GLU A 533 2.966 15.095 31.800 1.00120.45 O +ATOM 436 OE2 GLU A 533 5.012 14.724 31.083 1.00120.45 O +ATOM 437 N VAL A 534 1.345 20.094 29.226 1.00 58.72 N +ATOM 438 CA VAL A 534 0.374 20.609 28.259 1.00 58.72 C +ATOM 439 C VAL A 534 0.905 21.920 27.706 1.00 58.72 C +ATOM 440 O VAL A 534 0.857 22.172 26.509 1.00 58.72 O +ATOM 441 CB VAL A 534 -0.994 20.859 28.912 1.00 63.07 C +ATOM 442 CG1 VAL A 534 -1.939 21.493 27.917 1.00 63.07 C +ATOM 443 CG2 VAL A 534 -1.563 19.555 29.390 1.00 63.07 C +ATOM 444 N LEU A 535 1.429 22.743 28.604 1.00 69.18 N +ATOM 445 CA LEU A 535 1.981 24.031 28.230 1.00 69.18 C +ATOM 446 C LEU A 535 3.200 23.877 27.324 1.00 69.18 C +ATOM 447 O LEU A 535 3.367 24.627 26.362 1.00 69.18 O +ATOM 448 CB LEU A 535 2.344 24.812 29.490 1.00 84.19 C +ATOM 449 CG LEU A 535 3.071 26.132 29.271 1.00 84.19 C +ATOM 450 CD1 LEU A 535 2.617 27.115 30.319 1.00 84.19 C +ATOM 451 CD2 LEU A 535 4.580 25.919 29.337 1.00 84.19 C +ATOM 452 N GLU A 536 4.048 22.903 27.637 1.00 64.20 N +ATOM 453 CA GLU A 536 5.240 22.661 26.844 1.00 64.20 C +ATOM 454 C GLU A 536 4.836 22.197 25.462 1.00 64.20 C +ATOM 455 O GLU A 536 5.295 22.729 24.455 1.00 64.20 O +ATOM 456 CB GLU A 536 6.109 21.593 27.488 1.00 97.00 C +ATOM 457 CG GLU A 536 7.389 21.339 26.725 1.00 97.00 C +ATOM 458 CD GLU A 536 8.094 22.632 26.360 1.00 97.00 C +ATOM 459 OE1 GLU A 536 7.854 23.656 27.047 1.00 97.00 O +ATOM 460 OE2 GLU A 536 8.891 22.620 25.394 1.00 97.00 O +ATOM 461 N SER A 537 3.971 21.193 25.418 1.00 57.94 N +ATOM 462 CA SER A 537 3.489 20.658 24.157 1.00 57.94 C +ATOM 463 C SER A 537 2.830 21.752 23.309 1.00 57.94 C +ATOM 464 O SER A 537 3.073 21.859 22.100 1.00 57.94 O +ATOM 465 CB SER A 537 2.489 19.543 24.430 1.00 64.50 C +ATOM 466 OG SER A 537 1.868 19.143 23.224 1.00 64.50 O +ATOM 467 N LEU A 538 1.991 22.560 23.953 1.00 54.29 N +ATOM 468 CA LEU A 538 1.285 23.654 23.291 1.00 54.29 C +ATOM 469 C LEU A 538 2.270 24.546 22.536 1.00 54.29 C +ATOM 470 O LEU A 538 2.058 24.846 21.367 1.00 54.29 O +ATOM 471 CB LEU A 538 0.510 24.459 24.335 1.00 62.74 C +ATOM 472 CG LEU A 538 -0.731 25.200 23.859 1.00 62.74 C +ATOM 473 CD1 LEU A 538 -1.525 24.338 22.915 1.00 62.74 C +ATOM 474 CD2 LEU A 538 -1.573 25.563 25.059 1.00 62.74 C +ATOM 475 N LYS A 539 3.352 24.951 23.198 1.00 59.97 N +ATOM 476 CA LYS A 539 4.362 25.779 22.549 1.00 59.97 C +ATOM 477 C LYS A 539 4.930 25.015 21.359 1.00 59.97 C +ATOM 478 O LYS A 539 5.040 25.557 20.254 1.00 59.97 O +ATOM 479 CB LYS A 539 5.487 26.109 23.520 1.00 81.94 C +ATOM 480 CG LYS A 539 5.030 26.875 24.735 1.00 81.94 C +ATOM 481 CD LYS A 539 6.151 27.001 25.737 1.00 81.94 C +ATOM 482 CE LYS A 539 5.730 27.818 26.940 1.00 81.94 C +ATOM 483 NZ LYS A 539 6.806 27.886 27.984 1.00 81.94 N +ATOM 484 N GLN A 540 5.292 23.755 21.597 1.00 55.99 N +ATOM 485 CA GLN A 540 5.831 22.883 20.559 1.00 55.99 C +ATOM 486 C GLN A 540 4.895 22.849 19.341 1.00 55.99 C +ATOM 487 O GLN A 540 5.347 23.008 18.197 1.00 55.99 O +ATOM 488 CB GLN A 540 5.981 21.459 21.095 1.00109.82 C +ATOM 489 CG GLN A 540 7.364 20.872 20.962 1.00109.82 C +ATOM 490 CD GLN A 540 8.381 21.656 21.749 1.00109.82 C +ATOM 491 OE1 GLN A 540 8.712 22.789 21.393 1.00109.82 O +ATOM 492 NE2 GLN A 540 8.873 21.068 22.840 1.00109.82 N +ATOM 493 N GLU A 541 3.599 22.625 19.590 1.00 61.06 N +ATOM 494 CA GLU A 541 2.605 22.557 18.522 1.00 61.06 C +ATOM 495 C GLU A 541 2.545 23.857 17.720 1.00 61.06 C +ATOM 496 O GLU A 541 2.601 23.841 16.488 1.00 61.06 O +ATOM 497 CB GLU A 541 1.232 22.245 19.105 1.00118.52 C +ATOM 498 CG GLU A 541 1.089 20.818 19.567 1.00118.52 C +ATOM 499 CD GLU A 541 -0.206 20.582 20.317 1.00118.52 C +ATOM 500 OE1 GLU A 541 -0.244 20.809 21.548 1.00118.52 O +ATOM 501 OE2 GLU A 541 -1.195 20.180 19.668 1.00118.52 O +ATOM 502 N LEU A 542 2.442 24.985 18.419 1.00 61.37 N +ATOM 503 CA LEU A 542 2.380 26.281 17.753 1.00 61.37 C +ATOM 504 C LEU A 542 3.612 26.522 16.903 1.00 61.37 C +ATOM 505 O LEU A 542 3.496 26.961 15.764 1.00 61.37 O +ATOM 506 CB LEU A 542 2.246 27.412 18.774 1.00 49.93 C +ATOM 507 CG LEU A 542 2.224 28.833 18.211 1.00 49.93 C +ATOM 508 CD1 LEU A 542 1.297 28.899 17.025 1.00 49.93 C +ATOM 509 CD2 LEU A 542 1.771 29.802 19.284 1.00 49.93 C +ATOM 510 N ALA A 543 4.787 26.235 17.462 1.00 61.03 N +ATOM 511 CA ALA A 543 6.054 26.428 16.757 1.00 61.03 C +ATOM 512 C ALA A 543 6.083 25.621 15.483 1.00 61.03 C +ATOM 513 O ALA A 543 6.523 26.104 14.441 1.00 61.03 O +ATOM 514 CB ALA A 543 7.201 26.019 17.626 1.00 63.36 C +ATOM 515 N THR A 544 5.618 24.382 15.564 1.00 58.42 N +ATOM 516 CA THR A 544 5.598 23.538 14.380 1.00 58.42 C +ATOM 517 C THR A 544 4.653 24.130 13.338 1.00 58.42 C +ATOM 518 O THR A 544 5.027 24.297 12.173 1.00 58.42 O +ATOM 519 CB THR A 544 5.147 22.105 14.711 1.00 67.03 C +ATOM 520 OG1 THR A 544 6.088 21.503 15.609 1.00 67.03 O +ATOM 521 CG2 THR A 544 5.052 21.279 13.437 1.00 67.03 C +ATOM 522 N SER A 545 3.433 24.455 13.766 1.00 53.42 N +ATOM 523 CA SER A 545 2.434 25.027 12.871 1.00 53.42 C +ATOM 524 C SER A 545 3.009 26.241 12.153 1.00 53.42 C +ATOM 525 O SER A 545 2.756 26.449 10.967 1.00 53.42 O +ATOM 526 CB SER A 545 1.196 25.438 13.652 1.00 60.98 C +ATOM 527 OG SER A 545 0.149 25.711 12.746 1.00 60.98 O +ATOM 528 N GLN A 546 3.786 27.044 12.877 1.00 54.46 N +ATOM 529 CA GLN A 546 4.409 28.209 12.275 1.00 54.46 C +ATOM 530 C GLN A 546 5.376 27.788 11.173 1.00 54.46 C +ATOM 531 O GLN A 546 5.284 28.302 10.056 1.00 54.46 O +ATOM 532 CB GLN A 546 5.105 29.049 13.337 1.00106.39 C +ATOM 533 CG GLN A 546 4.094 29.763 14.199 1.00106.39 C +ATOM 534 CD GLN A 546 3.025 30.455 13.358 1.00106.39 C +ATOM 535 OE1 GLN A 546 3.305 31.420 12.649 1.00106.39 O +ATOM 536 NE2 GLN A 546 1.798 29.952 13.423 1.00106.39 N +ATOM 537 N ARG A 547 6.280 26.849 11.466 1.00 60.29 N +ATOM 538 CA ARG A 547 7.214 26.368 10.451 1.00 60.29 C +ATOM 539 C ARG A 547 6.434 25.857 9.237 1.00 60.29 C +ATOM 540 O ARG A 547 6.757 26.207 8.100 1.00 60.29 O +ATOM 541 CB ARG A 547 8.092 25.252 11.011 1.00112.01 C +ATOM 542 CG ARG A 547 9.129 25.738 11.992 1.00112.01 C +ATOM 543 CD ARG A 547 9.852 24.576 12.648 1.00112.01 C +ATOM 544 NE ARG A 547 9.525 24.438 14.070 1.00112.01 N +ATOM 545 CZ ARG A 547 8.995 23.347 14.625 1.00112.01 C +ATOM 546 NH1 ARG A 547 8.721 22.278 13.884 1.00112.01 N +ATOM 547 NH2 ARG A 547 8.739 23.321 15.929 1.00112.01 N +ATOM 548 N GLU A 548 5.403 25.041 9.467 1.00 58.04 N +ATOM 549 CA GLU A 548 4.590 24.524 8.363 1.00 58.04 C +ATOM 550 C GLU A 548 3.931 25.656 7.561 1.00 58.04 C +ATOM 551 O GLU A 548 3.981 25.661 6.328 1.00 58.04 O +ATOM 552 CB GLU A 548 3.525 23.562 8.892 1.00 98.03 C +ATOM 553 CG GLU A 548 4.108 22.246 9.363 1.00 98.03 C +ATOM 554 CD GLU A 548 3.125 21.403 10.145 1.00 98.03 C +ATOM 555 OE1 GLU A 548 2.707 21.834 11.238 1.00 98.03 O +ATOM 556 OE2 GLU A 548 2.773 20.305 9.670 1.00 98.03 O +ATOM 557 N LEU A 549 3.324 26.621 8.250 1.00 67.71 N +ATOM 558 CA LEU A 549 2.691 27.739 7.560 1.00 67.71 C +ATOM 559 C LEU A 549 3.682 28.480 6.692 1.00 67.71 C +ATOM 560 O LEU A 549 3.343 28.929 5.603 1.00 67.71 O +ATOM 561 CB LEU A 549 2.109 28.736 8.544 1.00 69.01 C +ATOM 562 CG LEU A 549 0.609 28.636 8.767 1.00 69.01 C +ATOM 563 CD1 LEU A 549 0.197 29.727 9.746 1.00 69.01 C +ATOM 564 CD2 LEU A 549 -0.131 28.764 7.441 1.00 69.01 C +ATOM 565 N GLN A 550 4.907 28.623 7.178 1.00 55.61 N +ATOM 566 CA GLN A 550 5.916 29.330 6.414 1.00 55.61 C +ATOM 567 C GLN A 550 6.290 28.546 5.162 1.00 55.61 C +ATOM 568 O GLN A 550 6.556 29.124 4.108 1.00 55.61 O +ATOM 569 CB GLN A 550 7.147 29.567 7.269 1.00126.47 C +ATOM 570 CG GLN A 550 8.128 30.493 6.630 1.00126.47 C +ATOM 571 CD GLN A 550 9.264 30.808 7.552 1.00126.47 C +ATOM 572 OE1 GLN A 550 9.988 29.914 7.983 1.00126.47 O +ATOM 573 NE2 GLN A 550 9.430 32.085 7.876 1.00126.47 N +ATOM 574 N VAL A 551 6.298 27.224 5.266 1.00 58.71 N +ATOM 575 CA VAL A 551 6.642 26.411 4.110 1.00 58.71 C +ATOM 576 C VAL A 551 5.559 26.503 3.059 1.00 58.71 C +ATOM 577 O VAL A 551 5.867 26.585 1.874 1.00 58.71 O +ATOM 578 CB VAL A 551 6.856 24.937 4.484 1.00 77.59 C +ATOM 579 CG1 VAL A 551 7.008 24.110 3.228 1.00 77.59 C +ATOM 580 CG2 VAL A 551 8.101 24.797 5.354 1.00 77.59 C +ATOM 581 N LEU A 552 4.294 26.484 3.468 1.00 49.85 N +ATOM 582 CA LEU A 552 3.224 26.600 2.476 1.00 49.85 C +ATOM 583 C LEU A 552 3.242 27.968 1.796 1.00 49.85 C +ATOM 584 O LEU A 552 3.011 28.057 0.582 1.00 49.85 O +ATOM 585 CB LEU A 552 1.858 26.347 3.099 1.00 55.06 C +ATOM 586 CG LEU A 552 1.704 24.911 3.596 1.00 55.06 C +ATOM 587 CD1 LEU A 552 0.220 24.553 3.633 1.00 55.06 C +ATOM 588 CD2 LEU A 552 2.438 23.957 2.675 1.00 55.06 C +ATOM 589 N GLN A 553 3.530 29.022 2.566 1.00 58.27 N +ATOM 590 CA GLN A 553 3.600 30.359 1.998 1.00 58.27 C +ATOM 591 C GLN A 553 4.600 30.351 0.845 1.00 58.27 C +ATOM 592 O GLN A 553 4.411 31.042 -0.166 1.00 58.27 O +ATOM 593 CB GLN A 553 4.005 31.387 3.048 1.00155.62 C +ATOM 594 CG GLN A 553 2.851 32.270 3.458 1.00155.62 C +ATOM 595 CD GLN A 553 3.276 33.391 4.368 1.00155.62 C +ATOM 596 OE1 GLN A 553 3.782 33.158 5.466 1.00155.62 O +ATOM 597 NE2 GLN A 553 3.074 34.624 3.918 1.00155.62 N +ATOM 598 N GLY A 554 5.654 29.546 0.988 1.00 54.27 N +ATOM 599 CA GLY A 554 6.651 29.430 -0.066 1.00 54.27 C +ATOM 600 C GLY A 554 6.150 28.595 -1.242 1.00 54.27 C +ATOM 601 O GLY A 554 6.390 28.931 -2.405 1.00 54.27 O +ATOM 602 N SER A 555 5.461 27.494 -0.954 1.00 70.12 N +ATOM 603 CA SER A 555 4.935 26.655 -2.022 1.00 70.12 C +ATOM 604 C SER A 555 3.943 27.457 -2.856 1.00 70.12 C +ATOM 605 O SER A 555 3.913 27.339 -4.084 1.00 70.12 O +ATOM 606 CB SER A 555 4.265 25.421 -1.439 1.00 72.33 C +ATOM 607 OG SER A 555 5.240 24.604 -0.827 1.00 72.33 O +ATOM 608 N LEU A 556 3.133 28.277 -2.188 1.00 49.63 N +ATOM 609 CA LEU A 556 2.182 29.121 -2.898 1.00 49.63 C +ATOM 610 C LEU A 556 2.989 30.091 -3.772 1.00 49.63 C +ATOM 611 O LEU A 556 2.699 30.267 -4.960 1.00 49.63 O +ATOM 612 CB LEU A 556 1.310 29.888 -1.911 1.00 65.12 C +ATOM 613 CG LEU A 556 -0.191 29.797 -2.203 1.00 65.12 C +ATOM 614 CD1 LEU A 556 -0.460 30.259 -3.630 1.00 65.12 C +ATOM 615 CD2 LEU A 556 -0.681 28.374 -2.028 1.00 65.12 C +ATOM 616 N GLU A 557 4.017 30.696 -3.175 1.00 52.89 N +ATOM 617 CA GLU A 557 4.924 31.621 -3.867 1.00 52.89 C +ATOM 618 C GLU A 557 5.477 30.994 -5.168 1.00 52.89 C +ATOM 619 O GLU A 557 5.408 31.592 -6.246 1.00 52.89 O +ATOM 620 CB GLU A 557 6.088 31.972 -2.934 1.00170.02 C +ATOM 621 CG GLU A 557 6.982 33.080 -3.432 1.00170.02 C +ATOM 622 CD GLU A 557 6.254 34.399 -3.496 1.00170.02 C +ATOM 623 OE1 GLU A 557 5.709 34.814 -2.451 1.00170.02 O +ATOM 624 OE2 GLU A 557 6.224 35.016 -4.583 1.00170.02 O +ATOM 625 N THR A 558 6.028 29.787 -5.059 1.00 54.13 N +ATOM 626 CA THR A 558 6.577 29.087 -6.221 1.00 54.13 C +ATOM 627 C THR A 558 5.477 28.711 -7.211 1.00 54.13 C +ATOM 628 O THR A 558 5.576 29.005 -8.406 1.00 54.13 O +ATOM 629 CB THR A 558 7.330 27.799 -5.803 1.00 62.92 C +ATOM 630 OG1 THR A 558 8.570 28.154 -5.182 1.00 62.92 O +ATOM 631 CG2 THR A 558 7.608 26.917 -7.013 1.00 62.92 C +ATOM 632 N SER A 559 4.433 28.052 -6.720 1.00 65.90 N +ATOM 633 CA SER A 559 3.341 27.672 -7.599 1.00 65.90 C +ATOM 634 C SER A 559 2.898 28.926 -8.357 1.00 65.90 C +ATOM 635 O SER A 559 2.763 28.908 -9.579 1.00 65.90 O +ATOM 636 CB SER A 559 2.176 27.086 -6.793 1.00 51.78 C +ATOM 637 OG SER A 559 1.198 26.510 -7.651 1.00 51.78 O +ATOM 638 N ALA A 560 2.699 30.024 -7.636 1.00 60.66 N +ATOM 639 CA ALA A 560 2.288 31.266 -8.281 1.00 60.66 C +ATOM 640 C ALA A 560 3.236 31.611 -9.421 1.00 60.66 C +ATOM 641 O ALA A 560 2.801 31.847 -10.562 1.00 60.66 O +ATOM 642 CB ALA A 560 2.271 32.380 -7.291 1.00 49.98 C +ATOM 643 N GLN A 561 4.532 31.649 -9.111 1.00 45.77 N +ATOM 644 CA GLN A 561 5.526 31.943 -10.134 1.00 45.77 C +ATOM 645 C GLN A 561 5.383 30.965 -11.308 1.00 45.77 C +ATOM 646 O GLN A 561 5.587 31.343 -12.466 1.00 45.77 O +ATOM 647 CB GLN A 561 6.939 31.857 -9.553 1.00 95.10 C +ATOM 648 CG GLN A 561 8.021 32.149 -10.579 1.00 95.10 C +ATOM 649 CD GLN A 561 7.824 33.489 -11.272 1.00 95.10 C +ATOM 650 OE1 GLN A 561 8.330 33.711 -12.371 1.00 95.10 O +ATOM 651 NE2 GLN A 561 7.095 34.393 -10.624 1.00 95.10 N +ATOM 652 N SER A 562 5.011 29.718 -11.019 1.00 52.60 N +ATOM 653 CA SER A 562 4.859 28.733 -12.077 1.00 52.60 C +ATOM 654 C SER A 562 3.682 29.038 -12.974 1.00 52.60 C +ATOM 655 O SER A 562 3.789 28.924 -14.201 1.00 52.60 O +ATOM 656 CB SER A 562 4.690 27.336 -11.512 1.00 60.05 C +ATOM 657 OG SER A 562 4.682 26.397 -12.571 1.00 60.05 O +ATOM 658 N GLU A 563 2.553 29.409 -12.381 1.00 59.23 N +ATOM 659 CA GLU A 563 1.386 29.743 -13.186 1.00 59.23 C +ATOM 660 C GLU A 563 1.729 30.887 -14.110 1.00 59.23 C +ATOM 661 O GLU A 563 1.261 30.924 -15.246 1.00 59.23 O +ATOM 662 CB GLU A 563 0.220 30.149 -12.322 1.00 52.90 C +ATOM 663 CG GLU A 563 -0.301 29.018 -11.535 1.00 52.90 C +ATOM 664 CD GLU A 563 -1.744 29.198 -11.185 1.00 52.90 C +ATOM 665 OE1 GLU A 563 -2.562 29.382 -12.114 1.00 52.90 O +ATOM 666 OE2 GLU A 563 -2.057 29.143 -9.979 1.00 52.90 O +ATOM 667 N ALA A 564 2.543 31.823 -13.625 1.00 50.25 N +ATOM 668 CA ALA A 564 2.969 32.949 -14.455 1.00 50.25 C +ATOM 669 C ALA A 564 3.650 32.424 -15.720 1.00 50.25 C +ATOM 670 O ALA A 564 3.259 32.764 -16.845 1.00 50.25 O +ATOM 671 CB ALA A 564 3.929 33.830 -13.693 1.00 46.27 C +ATOM 672 N ASN A 565 4.668 31.584 -15.535 1.00 43.78 N +ATOM 673 CA ASN A 565 5.376 31.029 -16.676 1.00 43.78 C +ATOM 674 C ASN A 565 4.429 30.363 -17.660 1.00 43.78 C +ATOM 675 O ASN A 565 4.514 30.614 -18.873 1.00 43.78 O +ATOM 676 CB ASN A 565 6.447 30.058 -16.210 1.00 76.82 C +ATOM 677 CG ASN A 565 7.476 30.733 -15.337 1.00 76.82 C +ATOM 678 OD1 ASN A 565 7.593 31.961 -15.326 1.00 76.82 O +ATOM 679 ND2 ASN A 565 8.236 29.940 -14.603 1.00 76.82 N +ATOM 680 N TRP A 566 3.511 29.537 -17.162 1.00 53.20 N +ATOM 681 CA TRP A 566 2.578 28.884 -18.072 1.00 53.20 C +ATOM 682 C TRP A 566 1.912 29.892 -18.997 1.00 53.20 C +ATOM 683 O TRP A 566 1.884 29.701 -20.218 1.00 53.20 O +ATOM 684 CB TRP A 566 1.511 28.127 -17.300 1.00 59.33 C +ATOM 685 CG TRP A 566 1.935 26.763 -16.908 1.00 59.33 C +ATOM 686 CD1 TRP A 566 2.147 26.305 -15.643 1.00 59.33 C +ATOM 687 CD2 TRP A 566 2.170 25.651 -17.787 1.00 59.33 C +ATOM 688 NE1 TRP A 566 2.494 24.972 -15.674 1.00 59.33 N +ATOM 689 CE2 TRP A 566 2.514 24.546 -16.976 1.00 59.33 C +ATOM 690 CE3 TRP A 566 2.121 25.480 -19.172 1.00 59.33 C +ATOM 691 CZ2 TRP A 566 2.807 23.285 -17.509 1.00 59.33 C +ATOM 692 CZ3 TRP A 566 2.412 24.224 -19.700 1.00 59.33 C +ATOM 693 CH2 TRP A 566 2.749 23.144 -18.867 1.00 59.33 C +ATOM 694 N ALA A 567 1.383 30.967 -18.413 1.00 58.27 N +ATOM 695 CA ALA A 567 0.723 32.011 -19.190 1.00 58.27 C +ATOM 696 C ALA A 567 1.665 32.530 -20.269 1.00 58.27 C +ATOM 697 O ALA A 567 1.312 32.548 -21.451 1.00 58.27 O +ATOM 698 CB ALA A 567 0.294 33.146 -18.283 1.00 62.21 C +ATOM 699 N ALA A 568 2.865 32.943 -19.865 1.00 46.10 N +ATOM 700 CA ALA A 568 3.851 33.443 -20.821 1.00 46.10 C +ATOM 701 C ALA A 568 4.155 32.368 -21.869 1.00 46.10 C +ATOM 702 O ALA A 568 4.180 32.660 -23.068 1.00 46.10 O +ATOM 703 CB ALA A 568 5.120 33.841 -20.104 1.00 31.60 C +ATOM 704 N GLU A 569 4.385 31.132 -21.411 1.00 40.12 N +ATOM 705 CA GLU A 569 4.657 30.011 -22.305 1.00 40.12 C +ATOM 706 C GLU A 569 3.503 29.888 -23.297 1.00 40.12 C +ATOM 707 O GLU A 569 3.705 29.789 -24.526 1.00 40.12 O +ATOM 708 CB GLU A 569 4.774 28.722 -21.504 1.00 61.58 C +ATOM 709 CG GLU A 569 6.046 28.618 -20.695 1.00 61.58 C +ATOM 710 CD GLU A 569 7.241 28.481 -21.585 1.00 61.58 C +ATOM 711 OE1 GLU A 569 7.017 28.214 -22.781 1.00 61.58 O +ATOM 712 OE2 GLU A 569 8.387 28.629 -21.108 1.00 61.58 O +ATOM 713 N PHE A 570 2.283 29.907 -22.768 1.00 61.32 N +ATOM 714 CA PHE A 570 1.097 29.804 -23.609 1.00 61.32 C +ATOM 715 C PHE A 570 1.042 30.973 -24.601 1.00 61.32 C +ATOM 716 O PHE A 570 0.646 30.819 -25.775 1.00 61.32 O +ATOM 717 CB PHE A 570 -0.155 29.800 -22.734 1.00 53.12 C +ATOM 718 CG PHE A 570 -1.417 29.536 -23.492 1.00 53.12 C +ATOM 719 CD1 PHE A 570 -2.046 30.554 -24.190 1.00 53.12 C +ATOM 720 CD2 PHE A 570 -1.974 28.264 -23.516 1.00 53.12 C +ATOM 721 CE1 PHE A 570 -3.216 30.317 -24.910 1.00 53.12 C +ATOM 722 CE2 PHE A 570 -3.143 28.010 -24.230 1.00 53.12 C +ATOM 723 CZ PHE A 570 -3.766 29.044 -24.930 1.00 53.12 C +ATOM 724 N ALA A 571 1.452 32.144 -24.123 1.00 53.04 N +ATOM 725 CA ALA A 571 1.433 33.327 -24.960 1.00 53.04 C +ATOM 726 C ALA A 571 2.245 33.115 -26.224 1.00 53.04 C +ATOM 727 O ALA A 571 1.761 33.402 -27.312 1.00 53.04 O +ATOM 728 CB ALA A 571 1.960 34.519 -24.188 1.00 52.60 C +ATOM 729 N GLU A 572 3.468 32.601 -26.082 1.00 40.48 N +ATOM 730 CA GLU A 572 4.340 32.372 -27.226 1.00 40.48 C +ATOM 731 C GLU A 572 3.728 31.429 -28.249 1.00 40.48 C +ATOM 732 O GLU A 572 3.784 31.692 -29.469 1.00 40.48 O +ATOM 733 CB GLU A 572 5.693 31.832 -26.768 1.00113.13 C +ATOM 734 CG GLU A 572 6.713 32.922 -26.594 1.00113.13 C +ATOM 735 CD GLU A 572 6.710 33.873 -27.771 1.00113.13 C +ATOM 736 OE1 GLU A 572 6.997 33.432 -28.910 1.00113.13 O +ATOM 737 OE2 GLU A 572 6.402 35.063 -27.557 1.00113.13 O +ATOM 738 N LEU A 573 3.141 30.333 -27.755 1.00 49.60 N +ATOM 739 CA LEU A 573 2.520 29.345 -28.637 1.00 49.60 C +ATOM 740 C LEU A 573 1.385 30.034 -29.383 1.00 49.60 C +ATOM 741 O LEU A 573 1.239 29.870 -30.598 1.00 49.60 O +ATOM 742 CB LEU A 573 1.978 28.167 -27.822 1.00 62.51 C +ATOM 743 CG LEU A 573 2.371 26.762 -28.279 1.00 62.51 C +ATOM 744 CD1 LEU A 573 1.875 26.532 -29.672 1.00 62.51 C +ATOM 745 CD2 LEU A 573 3.880 26.599 -28.246 1.00 62.51 C +ATOM 746 N GLU A 574 0.592 30.823 -28.652 1.00 50.69 N +ATOM 747 CA GLU A 574 -0.526 31.537 -29.254 1.00 50.69 C +ATOM 748 C GLU A 574 -0.035 32.429 -30.382 1.00 50.69 C +ATOM 749 O GLU A 574 -0.576 32.375 -31.484 1.00 50.69 O +ATOM 750 CB GLU A 574 -1.265 32.368 -28.206 1.00 67.99 C +ATOM 751 CG GLU A 574 -2.380 33.235 -28.780 1.00 67.99 C +ATOM 752 CD GLU A 574 -3.231 33.866 -27.696 1.00 67.99 C +ATOM 753 OE1 GLU A 574 -2.722 34.046 -26.568 1.00 67.99 O +ATOM 754 OE2 GLU A 574 -4.405 34.192 -27.971 1.00 67.99 O +ATOM 755 N LYS A 575 0.992 33.237 -30.112 1.00 57.08 N +ATOM 756 CA LYS A 575 1.571 34.121 -31.117 1.00 57.08 C +ATOM 757 C LYS A 575 1.913 33.314 -32.378 1.00 57.08 C +ATOM 758 O LYS A 575 1.576 33.723 -33.479 1.00 57.08 O +ATOM 759 CB LYS A 575 2.830 34.781 -30.565 1.00 91.01 C +ATOM 760 CG LYS A 575 3.484 35.762 -31.506 1.00 91.01 C +ATOM 761 CD LYS A 575 4.832 36.175 -30.955 1.00 91.01 C +ATOM 762 CE LYS A 575 5.512 37.215 -31.827 1.00 91.01 C +ATOM 763 NZ LYS A 575 6.926 37.465 -31.397 1.00 91.01 N +ATOM 764 N GLU A 576 2.576 32.168 -32.217 1.00 64.64 N +ATOM 765 CA GLU A 576 2.921 31.313 -33.359 1.00 64.64 C +ATOM 766 C GLU A 576 1.672 30.805 -34.083 1.00 64.64 C +ATOM 767 O GLU A 576 1.571 30.933 -35.307 1.00 64.64 O +ATOM 768 CB GLU A 576 3.739 30.102 -32.904 1.00 75.88 C +ATOM 769 CG GLU A 576 5.168 30.406 -32.514 1.00 75.88 C +ATOM 770 CD GLU A 576 5.885 29.190 -31.982 1.00 75.88 C +ATOM 771 OE1 GLU A 576 5.758 28.116 -32.602 1.00 75.88 O +ATOM 772 OE2 GLU A 576 6.577 29.309 -30.950 1.00 75.88 O +ATOM 773 N ARG A 577 0.742 30.215 -33.324 1.00 64.78 N +ATOM 774 CA ARG A 577 -0.509 29.687 -33.868 1.00 64.78 C +ATOM 775 C ARG A 577 -1.216 30.767 -34.693 1.00 64.78 C +ATOM 776 O ARG A 577 -1.717 30.497 -35.787 1.00 64.78 O +ATOM 777 CB ARG A 577 -1.417 29.224 -32.725 1.00 83.54 C +ATOM 778 CG ARG A 577 -2.639 28.407 -33.149 1.00 83.54 C +ATOM 779 CD ARG A 577 -3.760 29.261 -33.728 1.00 83.54 C +ATOM 780 NE ARG A 577 -4.304 30.227 -32.768 1.00 83.54 N +ATOM 781 CZ ARG A 577 -5.063 29.922 -31.713 1.00 83.54 C +ATOM 782 NH1 ARG A 577 -5.388 28.661 -31.455 1.00 83.54 N +ATOM 783 NH2 ARG A 577 -5.503 30.884 -30.910 1.00 83.54 N +ATOM 784 N ASP A 578 -1.257 31.993 -34.174 1.00 77.48 N +ATOM 785 CA ASP A 578 -1.898 33.089 -34.891 1.00 77.48 C +ATOM 786 C ASP A 578 -1.160 33.401 -36.175 1.00 77.48 C +ATOM 787 O ASP A 578 -1.791 33.715 -37.177 1.00 77.48 O +ATOM 788 CB ASP A 578 -1.963 34.344 -34.031 1.00 71.50 C +ATOM 789 CG ASP A 578 -2.823 34.161 -32.799 1.00 71.50 C +ATOM 790 OD1 ASP A 578 -3.757 33.327 -32.842 1.00 71.50 O +ATOM 791 OD2 ASP A 578 -2.574 34.860 -31.790 1.00 71.50 O +ATOM 792 N SER A 579 0.173 33.323 -36.143 1.00 56.15 N +ATOM 793 CA SER A 579 1.009 33.569 -37.324 1.00 56.15 C +ATOM 794 C SER A 579 0.706 32.576 -38.429 1.00 56.15 C +ATOM 795 O SER A 579 0.644 32.941 -39.594 1.00 56.15 O +ATOM 796 CB SER A 579 2.483 33.438 -36.982 1.00 66.41 C +ATOM 797 OG SER A 579 2.851 34.450 -36.082 1.00 66.41 O +ATOM 798 N LEU A 580 0.534 31.314 -38.060 1.00 71.89 N +ATOM 799 CA LEU A 580 0.238 30.292 -39.041 1.00 71.89 C +ATOM 800 C LEU A 580 -1.193 30.357 -39.583 1.00 71.89 C +ATOM 801 O LEU A 580 -1.447 29.946 -40.716 1.00 71.89 O +ATOM 802 CB LEU A 580 0.512 28.903 -38.457 1.00 68.73 C +ATOM 803 CG LEU A 580 1.959 28.430 -38.284 1.00 68.73 C +ATOM 804 CD1 LEU A 580 2.748 28.731 -39.539 1.00 68.73 C +ATOM 805 CD2 LEU A 580 2.589 29.115 -37.104 1.00 68.73 C +ATOM 806 N VAL A 581 -2.137 30.861 -38.799 1.00 74.62 N +ATOM 807 CA VAL A 581 -3.512 30.927 -39.288 1.00 74.62 C +ATOM 808 C VAL A 581 -3.823 32.321 -39.840 1.00 74.62 C +ATOM 809 O VAL A 581 -2.925 33.196 -39.805 1.00 74.62 O +ATOM 810 CB VAL A 581 -4.534 30.551 -38.170 1.00 72.76 C +ATOM 811 CG1 VAL A 581 -5.931 30.513 -38.726 1.00 72.76 C +ATOM 812 CG2 VAL A 581 -4.208 29.186 -37.604 1.00 72.76 C Added: SwiftApps/modFTdock/input/2of5-8.pdb =================================================================== --- SwiftApps/modFTdock/input/2of5-8.pdb (rev 0) +++ SwiftApps/modFTdock/input/2of5-8.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,786 @@ +ATOM 1 N MET H 777 -52.261 80.895 19.312 1.00131.83 N +ATOM 2 CA MET H 777 -52.920 80.913 20.659 1.00135.10 C +ATOM 3 C MET H 777 -54.358 81.483 20.639 1.00134.56 C +ATOM 4 O MET H 777 -54.800 82.150 21.587 1.00133.41 O +ATOM 5 CB MET H 777 -52.065 81.715 21.658 1.00136.66 C +ATOM 6 CG MET H 777 -52.660 81.765 23.081 1.00139.18 C +ATOM 7 SD MET H 777 -51.817 82.831 24.290 1.00141.95 S +ATOM 8 CE MET H 777 -51.848 81.753 25.776 1.00140.57 C +ATOM 9 N ASN H 778 -55.090 81.200 19.565 1.00133.88 N +ATOM 10 CA ASN H 778 -56.456 81.694 19.421 1.00132.83 C +ATOM 11 C ASN H 778 -56.825 81.570 17.942 1.00131.85 C +ATOM 12 O ASN H 778 -57.175 82.557 17.293 1.00131.48 O +ATOM 13 CB ASN H 778 -56.526 83.169 19.868 1.00133.37 C +ATOM 14 CG ASN H 778 -57.952 83.661 20.087 1.00134.14 C +ATOM 15 OD1 ASN H 778 -58.682 83.137 20.932 1.00134.52 O +ATOM 16 ND2 ASN H 778 -58.350 84.681 19.328 1.00132.97 N +ATOM 17 N LEU H 779 -56.739 80.354 17.408 1.00130.23 N +ATOM 18 CA LEU H 779 -57.052 80.132 16.002 1.00129.23 C +ATOM 19 C LEU H 779 -58.228 79.207 15.776 1.00129.32 C +ATOM 20 O LEU H 779 -58.268 78.103 16.321 1.00129.36 O +ATOM 21 CB LEU H 779 -55.843 79.551 15.272 1.00128.64 C +ATOM 22 CG LEU H 779 -54.704 80.479 14.861 1.00127.68 C +ATOM 23 CD1 LEU H 779 -55.224 81.477 13.851 1.00127.52 C +ATOM 24 CD2 LEU H 779 -54.126 81.173 16.083 1.00128.68 C +ATOM 25 N GLY H 780 -59.178 79.660 14.961 1.00129.14 N +ATOM 26 CA GLY H 780 -60.341 78.848 14.642 1.00129.13 C +ATOM 27 C GLY H 780 -61.506 78.846 15.621 1.00128.86 C +ATOM 28 O GLY H 780 -61.349 79.114 16.814 1.00127.71 O +ATOM 29 N ASP H 781 -62.689 78.534 15.098 1.00128.99 N +ATOM 30 CA ASP H 781 -63.909 78.476 15.897 1.00128.66 C +ATOM 31 C ASP H 781 -64.140 77.037 16.353 1.00127.30 C +ATOM 32 O ASP H 781 -63.338 76.157 16.046 1.00127.55 O +ATOM 33 CB ASP H 781 -65.099 78.991 15.071 1.00130.06 C +ATOM 34 CG ASP H 781 -65.256 78.267 13.736 1.00131.10 C +ATOM 35 OD1 ASP H 781 -64.255 77.701 13.233 1.00129.58 O +ATOM 36 OD2 ASP H 781 -66.383 78.283 13.184 1.00131.61 O +ATOM 37 N ALA H 782 -65.221 76.795 17.087 1.00125.48 N +ATOM 38 CA ALA H 782 -65.505 75.449 17.579 1.00124.38 C +ATOM 39 C ALA H 782 -66.068 74.528 16.495 1.00123.90 C +ATOM 40 O ALA H 782 -66.009 73.299 16.611 1.00122.48 O +ATOM 41 CB ALA H 782 -66.460 75.519 18.766 1.00123.43 C +ATOM 42 N GLU H 783 -66.613 75.122 15.440 1.00124.30 N +ATOM 43 CA GLU H 783 -67.174 74.343 14.342 1.00125.34 C +ATOM 44 C GLU H 783 -66.039 73.572 13.679 1.00123.89 C +ATOM 45 O GLU H 783 -66.127 72.361 13.480 1.00123.58 O +ATOM 46 CB GLU H 783 -67.846 75.273 13.318 1.00128.20 C +ATOM 47 CG GLU H 783 -68.534 74.564 12.138 1.00133.06 C +ATOM 48 CD GLU H 783 -69.903 73.961 12.487 1.00136.15 C +ATOM 49 OE1 GLU H 783 -70.510 73.322 11.592 1.00137.12 O +ATOM 50 OE2 GLU H 783 -70.374 74.126 13.641 1.00136.82 O +ATOM 51 N THR H 784 -64.969 74.296 13.365 1.00122.34 N +ATOM 52 CA THR H 784 -63.779 73.746 12.714 1.00121.09 C +ATOM 53 C THR H 784 -62.858 72.996 13.674 1.00118.97 C +ATOM 54 O THR H 784 -62.474 71.846 13.436 1.00118.04 O +ATOM 55 CB THR H 784 -62.949 74.871 12.090 1.00121.89 C +ATOM 56 OG1 THR H 784 -63.825 75.774 11.403 1.00123.02 O +ATOM 57 CG2 THR H 784 -61.912 74.299 11.120 1.00121.61 C +ATOM 58 N GLY H 785 -62.502 73.684 14.752 1.00116.50 N +ATOM 59 CA GLY H 785 -61.619 73.135 15.758 1.00112.91 C +ATOM 60 C GLY H 785 -60.637 74.238 16.063 1.00110.68 C +ATOM 61 O GLY H 785 -60.556 75.203 15.305 1.00111.14 O +ATOM 62 N PHE H 786 -59.900 74.119 17.159 1.00108.47 N +ATOM 63 CA PHE H 786 -58.925 75.143 17.508 1.00107.06 C +ATOM 64 C PHE H 786 -57.489 74.697 17.255 1.00105.17 C +ATOM 65 O PHE H 786 -57.244 73.670 16.627 1.00105.90 O +ATOM 66 CB PHE H 786 -59.101 75.560 18.971 1.00108.48 C +ATOM 67 CG PHE H 786 -60.256 76.496 19.193 1.00110.36 C +ATOM 68 CD1 PHE H 786 -61.549 76.138 18.814 1.00111.73 C +ATOM 69 CD2 PHE H 786 -60.048 77.757 19.740 1.00110.96 C +ATOM 70 CE1 PHE H 786 -62.617 77.027 18.973 1.00111.52 C +ATOM 71 CE2 PHE H 786 -61.110 78.654 19.902 1.00111.64 C +ATOM 72 CZ PHE H 786 -62.397 78.286 19.516 1.00111.60 C +ATOM 73 N LEU H 787 -56.539 75.492 17.724 1.00102.06 N +ATOM 74 CA LEU H 787 -55.131 75.177 17.562 1.00 99.03 C +ATOM 75 C LEU H 787 -54.365 75.839 18.674 1.00 98.46 C +ATOM 76 O LEU H 787 -54.168 77.050 18.650 1.00100.07 O +ATOM 77 CB LEU H 787 -54.612 75.695 16.229 1.00 96.84 C +ATOM 78 CG LEU H 787 -54.563 74.682 15.097 1.00 95.82 C +ATOM 79 CD1 LEU H 787 -53.886 75.306 13.899 1.00 94.30 C +ATOM 80 CD2 LEU H 787 -53.793 73.453 15.553 1.00 95.79 C +ATOM 81 N THR H 788 -53.932 75.064 19.657 1.00 96.64 N +ATOM 82 CA THR H 788 -53.198 75.661 20.754 1.00 96.69 C +ATOM 83 C THR H 788 -51.821 76.090 20.315 1.00 96.28 C +ATOM 84 O THR H 788 -51.464 76.009 19.144 1.00 94.71 O +ATOM 85 CB THR H 788 -52.991 74.693 21.912 1.00 97.03 C +ATOM 86 OG1 THR H 788 -52.365 73.502 21.420 1.00 96.23 O +ATOM 87 CG2 THR H 788 -54.311 74.375 22.587 1.00 97.96 C +ATOM 88 N GLN H 789 -51.045 76.548 21.285 1.00 96.69 N +ATOM 89 CA GLN H 789 -49.688 76.948 21.017 1.00 96.77 C +ATOM 90 C GLN H 789 -48.913 75.644 20.870 1.00 97.25 C +ATOM 91 O GLN H 789 -48.197 75.458 19.893 1.00 98.07 O +ATOM 92 CB GLN H 789 -49.148 77.802 22.168 1.00 95.42 C +ATOM 93 CG GLN H 789 -50.027 79.009 22.450 1.00 94.61 C +ATOM 94 CD GLN H 789 -49.267 80.195 22.988 1.00 93.17 C +ATOM 95 OE1 GLN H 789 -48.665 80.133 24.061 1.00 90.97 O +ATOM 96 NE2 GLN H 789 -49.296 81.296 22.241 1.00 93.27 N +ATOM 97 N SER H 790 -49.076 74.727 21.822 1.00 97.09 N +ATOM 98 CA SER H 790 -48.389 73.444 21.736 1.00 96.83 C +ATOM 99 C SER H 790 -48.577 72.896 20.322 1.00 97.18 C +ATOM 100 O SER H 790 -47.707 72.213 19.782 1.00 97.42 O +ATOM 101 CB SER H 790 -48.967 72.459 22.755 1.00 97.19 C +ATOM 102 OG SER H 790 -48.459 72.705 24.054 1.00 98.40 O +ATOM 103 N ASN H 791 -49.724 73.213 19.728 1.00 96.91 N +ATOM 104 CA ASN H 791 -50.053 72.771 18.374 1.00 96.48 C +ATOM 105 C ASN H 791 -49.183 73.472 17.326 1.00 93.99 C +ATOM 106 O ASN H 791 -48.316 72.864 16.699 1.00 94.48 O +ATOM 107 CB ASN H 791 -51.538 73.050 18.071 1.00 99.14 C +ATOM 108 CG ASN H 791 -52.449 71.867 18.396 1.00100.76 C +ATOM 109 OD1 ASN H 791 -53.651 71.919 18.139 1.00101.97 O +ATOM 110 ND2 ASN H 791 -51.880 70.800 18.954 1.00101.53 N +ATOM 111 N LEU H 792 -49.428 74.758 17.135 1.00 90.20 N +ATOM 112 CA LEU H 792 -48.676 75.524 16.166 1.00 86.77 C +ATOM 113 C LEU H 792 -47.186 75.436 16.478 1.00 85.25 C +ATOM 114 O LEU H 792 -46.359 75.479 15.584 1.00 85.04 O +ATOM 115 CB LEU H 792 -49.138 76.980 16.204 1.00 85.49 C +ATOM 116 CG LEU H 792 -48.864 77.868 14.993 1.00 84.84 C +ATOM 117 CD1 LEU H 792 -49.626 77.366 13.773 1.00 82.87 C +ATOM 118 CD2 LEU H 792 -49.279 79.281 15.333 1.00 84.85 C +ATOM 119 N LEU H 793 -46.847 75.302 17.753 1.00 84.45 N +ATOM 120 CA LEU H 793 -45.451 75.228 18.172 1.00 82.97 C +ATOM 121 C LEU H 793 -44.779 74.045 17.504 1.00 81.29 C +ATOM 122 O LEU H 793 -43.593 74.093 17.190 1.00 80.07 O +ATOM 123 CB LEU H 793 -45.362 75.083 19.699 1.00 85.25 C +ATOM 124 CG LEU H 793 -44.133 75.578 20.483 1.00 86.88 C +ATOM 125 CD1 LEU H 793 -42.847 75.104 19.806 1.00 88.23 C +ATOM 126 CD2 LEU H 793 -44.157 77.092 20.567 1.00 86.61 C +ATOM 127 N SER H 794 -45.554 72.986 17.287 1.00 81.22 N +ATOM 128 CA SER H 794 -45.064 71.760 16.654 1.00 81.16 C +ATOM 129 C SER H 794 -45.071 71.876 15.140 1.00 80.75 C +ATOM 130 O SER H 794 -44.116 71.473 14.480 1.00 81.34 O +ATOM 131 CB SER H 794 -45.925 70.585 17.069 1.00 81.60 C +ATOM 132 OG SER H 794 -46.059 70.544 18.479 1.00 84.94 O +ATOM 133 N VAL H 795 -46.159 72.412 14.590 1.00 79.88 N +ATOM 134 CA VAL H 795 -46.258 72.620 13.152 1.00 78.50 C +ATOM 135 C VAL H 795 -44.954 73.294 12.753 1.00 80.55 C +ATOM 136 O VAL H 795 -44.455 73.097 11.656 1.00 82.64 O +ATOM 137 CB VAL H 795 -47.401 73.570 12.814 1.00 75.53 C +ATOM 138 CG1 VAL H 795 -47.648 73.594 11.324 1.00 72.27 C +ATOM 139 CG2 VAL H 795 -48.617 73.165 13.572 1.00 74.35 C +ATOM 140 N ALA H 796 -44.407 74.086 13.671 1.00 81.76 N +ATOM 141 CA ALA H 796 -43.160 74.807 13.453 1.00 83.36 C +ATOM 142 C ALA H 796 -41.971 73.864 13.545 1.00 84.81 C +ATOM 143 O ALA H 796 -41.088 73.875 12.686 1.00 84.50 O +ATOM 144 CB ALA H 796 -43.020 75.910 14.475 1.00 83.48 C +ATOM 145 N GLY H 797 -41.944 73.054 14.596 1.00 86.48 N +ATOM 146 CA GLY H 797 -40.855 72.106 14.753 1.00 89.21 C +ATOM 147 C GLY H 797 -40.807 71.101 13.606 1.00 90.38 C +ATOM 148 O GLY H 797 -39.765 70.489 13.347 1.00 89.91 O +ATOM 149 N ARG H 798 -41.935 70.940 12.912 1.00 91.15 N +ATOM 150 CA ARG H 798 -42.033 70.004 11.792 1.00 91.99 C +ATOM 151 C ARG H 798 -41.548 70.631 10.453 1.00 91.68 C +ATOM 152 O ARG H 798 -41.354 69.935 9.453 1.00 90.67 O +ATOM 153 CB ARG H 798 -43.487 69.494 11.683 1.00 91.27 C +ATOM 154 CG ARG H 798 -43.611 68.004 11.333 1.00 93.10 C +ATOM 155 CD ARG H 798 -43.735 67.073 12.553 1.00 94.30 C +ATOM 156 NE ARG H 798 -45.105 66.568 12.699 1.00 98.55 N +ATOM 157 CZ ARG H 798 -45.775 65.925 11.735 1.00101.89 C +ATOM 158 NH1 ARG H 798 -45.190 65.704 10.559 1.00102.38 N +ATOM 159 NH2 ARG H 798 -47.039 65.527 11.918 1.00 99.11 N +ATOM 160 N LEU H 799 -41.341 71.946 10.447 1.00 91.47 N +ATOM 161 CA LEU H 799 -40.874 72.651 9.256 1.00 90.62 C +ATOM 162 C LEU H 799 -39.350 72.867 9.275 1.00 91.88 C +ATOM 163 O LEU H 799 -38.746 73.066 10.336 1.00 92.04 O +ATOM 164 CB LEU H 799 -41.585 73.998 9.140 1.00 87.31 C +ATOM 165 CG LEU H 799 -43.064 73.955 8.780 1.00 84.57 C +ATOM 166 CD1 LEU H 799 -43.603 75.358 8.655 1.00 84.66 C +ATOM 167 CD2 LEU H 799 -43.231 73.233 7.474 1.00 85.51 C +ATOM 168 N GLY H 800 -38.733 72.829 8.098 1.00 91.74 N +ATOM 169 CA GLY H 800 -37.296 73.012 8.021 1.00 92.82 C +ATOM 170 C GLY H 800 -36.872 74.243 7.242 1.00 93.70 C +ATOM 171 O GLY H 800 -37.245 75.366 7.578 1.00 95.14 O +ATOM 172 N LEU H 801 -36.082 74.046 6.196 1.00 92.51 N +ATOM 173 CA LEU H 801 -35.634 75.173 5.404 1.00 90.70 C +ATOM 174 C LEU H 801 -36.664 75.532 4.352 1.00 89.86 C +ATOM 175 O LEU H 801 -36.386 76.300 3.437 1.00 91.48 O +ATOM 176 CB LEU H 801 -34.284 74.853 4.760 1.00 91.22 C +ATOM 177 CG LEU H 801 -33.121 74.984 5.754 1.00 91.90 C +ATOM 178 CD1 LEU H 801 -31.819 74.422 5.189 1.00 91.39 C +ATOM 179 CD2 LEU H 801 -32.968 76.447 6.109 1.00 91.01 C +ATOM 180 N ASP H 802 -37.864 74.984 4.490 1.00 87.97 N +ATOM 181 CA ASP H 802 -38.923 75.250 3.530 1.00 87.12 C +ATOM 182 C ASP H 802 -39.935 76.159 4.139 1.00 86.61 C +ATOM 183 O ASP H 802 -40.989 76.404 3.552 1.00 86.05 O +ATOM 184 CB ASP H 802 -39.622 73.968 3.110 1.00 89.37 C +ATOM 185 CG ASP H 802 -40.046 73.131 4.291 1.00 91.41 C +ATOM 186 OD1 ASP H 802 -40.697 72.095 4.057 1.00 92.23 O +ATOM 187 OD2 ASP H 802 -39.723 73.502 5.445 1.00 92.76 O +ATOM 188 N TRP H 803 -39.625 76.637 5.336 1.00 86.02 N +ATOM 189 CA TRP H 803 -40.512 77.556 6.010 1.00 86.57 C +ATOM 190 C TRP H 803 -40.933 78.692 5.060 1.00 87.91 C +ATOM 191 O TRP H 803 -42.117 78.987 4.927 1.00 87.92 O +ATOM 192 CB TRP H 803 -39.825 78.130 7.251 1.00 86.28 C +ATOM 193 CG TRP H 803 -39.557 79.607 7.207 1.00 89.18 C +ATOM 194 CD1 TRP H 803 -40.400 80.607 6.763 1.00 91.62 C +ATOM 195 CD2 TRP H 803 -38.396 80.260 7.678 1.00 89.77 C +ATOM 196 NE1 TRP H 803 -39.821 81.838 6.933 1.00 91.99 N +ATOM 197 CE2 TRP H 803 -38.590 81.655 7.499 1.00 92.45 C +ATOM 198 CE3 TRP H 803 -37.211 79.812 8.244 1.00 91.28 C +ATOM 199 CZ2 TRP H 803 -37.636 82.594 7.872 1.00 94.58 C +ATOM 200 CZ3 TRP H 803 -36.267 80.741 8.613 1.00 94.08 C +ATOM 201 CH2 TRP H 803 -36.481 82.119 8.428 1.00 94.99 C +ATOM 202 N PRO H 804 -39.964 79.352 4.391 1.00 88.53 N +ATOM 203 CA PRO H 804 -40.351 80.437 3.497 1.00 87.62 C +ATOM 204 C PRO H 804 -41.454 80.025 2.554 1.00 88.17 C +ATOM 205 O PRO H 804 -42.413 80.759 2.367 1.00 89.17 O +ATOM 206 CB PRO H 804 -39.054 80.760 2.770 1.00 88.59 C +ATOM 207 CG PRO H 804 -38.025 80.456 3.779 1.00 88.18 C +ATOM 208 CD PRO H 804 -38.508 79.140 4.324 1.00 89.00 C +ATOM 209 N ALA H 805 -41.320 78.844 1.964 1.00 88.14 N +ATOM 210 CA ALA H 805 -42.324 78.365 1.031 1.00 89.09 C +ATOM 211 C ALA H 805 -43.712 78.452 1.650 1.00 89.46 C +ATOM 212 O ALA H 805 -44.657 78.933 1.015 1.00 90.33 O +ATOM 213 CB ALA H 805 -42.021 76.942 0.627 1.00 90.00 C +ATOM 214 N VAL H 806 -43.835 77.991 2.889 1.00 87.89 N +ATOM 215 CA VAL H 806 -45.118 78.026 3.569 1.00 87.58 C +ATOM 216 C VAL H 806 -45.614 79.471 3.706 1.00 88.80 C +ATOM 217 O VAL H 806 -46.575 79.860 3.049 1.00 89.77 O +ATOM 218 CB VAL H 806 -45.020 77.373 4.957 1.00 86.85 C +ATOM 219 CG1 VAL H 806 -46.374 77.291 5.583 1.00 86.61 C +ATOM 220 CG2 VAL H 806 -44.427 75.994 4.838 1.00 85.66 C +ATOM 221 N ALA H 807 -44.952 80.268 4.540 1.00 89.75 N +ATOM 222 CA ALA H 807 -45.336 81.661 4.750 1.00 90.26 C +ATOM 223 C ALA H 807 -45.617 82.447 3.471 1.00 91.51 C +ATOM 224 O ALA H 807 -46.216 83.513 3.524 1.00 91.00 O +ATOM 225 CB ALA H 807 -44.284 82.373 5.550 1.00 89.12 C +ATOM 226 N LEU H 808 -45.176 81.958 2.320 1.00 95.15 N +ATOM 227 CA LEU H 808 -45.472 82.686 1.084 1.00 98.91 C +ATOM 228 C LEU H 808 -46.910 82.379 0.671 1.00101.03 C +ATOM 229 O LEU H 808 -47.671 83.305 0.391 1.00101.88 O +ATOM 230 CB LEU H 808 -44.488 82.341 -0.052 1.00 96.98 C +ATOM 231 CG LEU H 808 -43.112 83.032 0.005 1.00 94.74 C +ATOM 232 CD1 LEU H 808 -42.482 83.000 -1.374 1.00 92.86 C +ATOM 233 CD2 LEU H 808 -43.252 84.476 0.464 1.00 92.92 C +ATOM 234 N HIS H 809 -47.279 81.092 0.648 1.00102.43 N +ATOM 235 CA HIS H 809 -48.647 80.689 0.322 1.00103.47 C +ATOM 236 C HIS H 809 -49.605 81.134 1.422 1.00104.38 C +ATOM 237 O HIS H 809 -50.820 81.187 1.212 1.00104.45 O +ATOM 238 CB HIS H 809 -48.762 79.186 0.194 1.00104.04 C +ATOM 239 CG HIS H 809 -48.299 78.662 -1.119 1.00108.79 C +ATOM 240 ND1 HIS H 809 -47.098 78.005 -1.274 1.00110.90 N +ATOM 241 CD2 HIS H 809 -48.877 78.691 -2.343 1.00110.74 C +ATOM 242 CE1 HIS H 809 -46.956 77.648 -2.539 1.00111.58 C +ATOM 243 NE2 HIS H 809 -48.022 78.051 -3.209 1.00111.65 N +ATOM 244 N LEU H 810 -49.052 81.423 2.601 1.00103.99 N +ATOM 245 CA LEU H 810 -49.844 81.879 3.740 1.00103.59 C +ATOM 246 C LEU H 810 -50.232 83.326 3.540 1.00103.48 C +ATOM 247 O LEU H 810 -51.191 83.803 4.141 1.00103.95 O +ATOM 248 CB LEU H 810 -49.052 81.783 5.040 1.00103.71 C +ATOM 249 CG LEU H 810 -49.339 80.651 6.019 1.00103.79 C +ATOM 250 CD1 LEU H 810 -48.633 80.973 7.324 1.00102.46 C +ATOM 251 CD2 LEU H 810 -50.839 80.507 6.249 1.00104.76 C +ATOM 252 N GLY H 811 -49.459 84.025 2.712 1.00103.28 N +ATOM 253 CA GLY H 811 -49.732 85.424 2.438 1.00102.66 C +ATOM 254 C GLY H 811 -48.637 86.401 2.839 1.00101.63 C +ATOM 255 O GLY H 811 -48.778 87.608 2.638 1.00101.81 O +ATOM 256 N VAL H 812 -47.550 85.904 3.416 1.00100.49 N +ATOM 257 CA VAL H 812 -46.463 86.788 3.813 1.00 99.88 C +ATOM 258 C VAL H 812 -45.700 87.234 2.555 1.00101.46 C +ATOM 259 O VAL H 812 -45.569 86.463 1.590 1.00101.72 O +ATOM 260 CB VAL H 812 -45.495 86.078 4.789 1.00 98.05 C +ATOM 261 CG1 VAL H 812 -44.405 87.035 5.238 1.00 97.05 C +ATOM 262 CG2 VAL H 812 -46.259 85.556 5.983 1.00 97.00 C +ATOM 263 N SER H 813 -45.218 88.479 2.568 1.00100.92 N +ATOM 264 CA SER H 813 -44.476 89.042 1.443 1.00 99.36 C +ATOM 265 C SER H 813 -43.024 88.607 1.511 1.00 99.84 C +ATOM 266 O SER H 813 -42.459 88.460 2.600 1.00 97.35 O +ATOM 267 CB SER H 813 -44.517 90.558 1.487 1.00 99.07 C +ATOM 268 OG SER H 813 -43.762 91.023 2.591 1.00 99.29 O +ATOM 269 N TYR H 814 -42.421 88.419 0.338 1.00100.53 N +ATOM 270 CA TYR H 814 -41.030 88.003 0.248 1.00 99.69 C +ATOM 271 C TYR H 814 -40.234 89.020 1.031 1.00 98.58 C +ATOM 272 O TYR H 814 -39.228 88.705 1.669 1.00 98.75 O +ATOM 273 CB TYR H 814 -40.559 87.992 -1.208 1.00100.88 C +ATOM 274 CG TYR H 814 -39.161 87.440 -1.379 1.00103.52 C +ATOM 275 CD1 TYR H 814 -38.866 86.137 -0.993 1.00104.44 C +ATOM 276 CD2 TYR H 814 -38.121 88.232 -1.878 1.00103.86 C +ATOM 277 CE1 TYR H 814 -37.577 85.630 -1.088 1.00106.42 C +ATOM 278 CE2 TYR H 814 -36.820 87.733 -1.976 1.00105.49 C +ATOM 279 CZ TYR H 814 -36.558 86.426 -1.574 1.00107.29 C +ATOM 280 OH TYR H 814 -35.284 85.902 -1.627 1.00108.83 O +ATOM 281 N ARG H 815 -40.714 90.253 0.983 1.00 97.01 N +ATOM 282 CA ARG H 815 -40.062 91.338 1.679 1.00 95.69 C +ATOM 283 C ARG H 815 -40.014 91.018 3.163 1.00 95.37 C +ATOM 284 O ARG H 815 -39.007 91.260 3.821 1.00 93.80 O +ATOM 285 CB ARG H 815 -40.831 92.637 1.425 1.00 95.06 C +ATOM 286 CG ARG H 815 -40.071 93.913 1.750 1.00 93.39 C +ATOM 287 CD ARG H 815 -39.952 94.131 3.234 1.00 93.12 C +ATOM 288 NE ARG H 815 -39.426 95.453 3.542 1.00 94.40 N +ATOM 289 CZ ARG H 815 -39.371 95.960 4.768 1.00 95.35 C +ATOM 290 NH1 ARG H 815 -39.815 95.245 5.790 1.00 95.79 N +ATOM 291 NH2 ARG H 815 -38.872 97.174 4.973 1.00 95.25 N +ATOM 292 N GLU H 816 -41.100 90.450 3.680 1.00 96.80 N +ATOM 293 CA GLU H 816 -41.183 90.117 5.102 1.00 98.77 C +ATOM 294 C GLU H 816 -40.556 88.788 5.490 1.00 97.31 C +ATOM 295 O GLU H 816 -40.074 88.621 6.616 1.00 95.71 O +ATOM 296 CB GLU H 816 -42.638 90.156 5.570 1.00102.24 C +ATOM 297 CG GLU H 816 -43.063 91.526 6.104 1.00108.52 C +ATOM 298 CD GLU H 816 -42.283 91.950 7.358 1.00111.95 C +ATOM 299 OE1 GLU H 816 -42.350 91.226 8.384 1.00112.79 O +ATOM 300 OE2 GLU H 816 -41.608 93.008 7.313 1.00113.17 O +ATOM 301 N VAL H 817 -40.577 87.834 4.567 1.00 95.86 N +ATOM 302 CA VAL H 817 -39.966 86.549 4.840 1.00 92.22 C +ATOM 303 C VAL H 817 -38.528 86.949 5.120 1.00 92.45 C +ATOM 304 O VAL H 817 -37.931 86.531 6.115 1.00 92.80 O +ATOM 305 CB VAL H 817 -40.021 85.618 3.610 1.00 88.84 C +ATOM 306 CG1 VAL H 817 -39.728 84.199 4.028 1.00 87.45 C +ATOM 307 CG2 VAL H 817 -41.378 85.706 2.944 1.00 86.81 C +ATOM 308 N GLN H 818 -38.004 87.811 4.250 1.00 92.45 N +ATOM 309 CA GLN H 818 -36.636 88.299 4.354 1.00 93.53 C +ATOM 310 C GLN H 818 -36.353 89.075 5.635 1.00 93.10 C +ATOM 311 O GLN H 818 -35.294 88.913 6.240 1.00 91.32 O +ATOM 312 CB GLN H 818 -36.293 89.183 3.149 1.00 95.73 C +ATOM 313 CG GLN H 818 -34.917 89.867 3.275 1.00 99.17 C +ATOM 314 CD GLN H 818 -34.645 90.934 2.212 1.00 99.75 C +ATOM 315 OE1 GLN H 818 -33.688 91.702 2.328 1.00 99.04 O +ATOM 316 NE2 GLN H 818 -35.480 90.981 1.175 1.00100.06 N +ATOM 317 N ARG H 819 -37.293 89.925 6.038 1.00 93.96 N +ATOM 318 CA ARG H 819 -37.116 90.730 7.243 1.00 95.01 C +ATOM 319 C ARG H 819 -36.898 89.811 8.435 1.00 95.58 C +ATOM 320 O ARG H 819 -36.165 90.155 9.365 1.00 95.77 O +ATOM 321 CB ARG H 819 -38.349 91.608 7.488 1.00 94.85 C +ATOM 322 CG ARG H 819 -38.161 92.693 8.542 1.00 95.07 C +ATOM 323 CD ARG H 819 -39.422 92.851 9.379 1.00 98.42 C +ATOM 324 NE ARG H 819 -39.340 92.069 10.614 1.00102.50 N +ATOM 325 CZ ARG H 819 -40.361 91.443 11.202 1.00103.51 C +ATOM 326 NH1 ARG H 819 -41.581 91.488 10.673 1.00103.21 N +ATOM 327 NH2 ARG H 819 -40.160 90.778 12.339 1.00102.41 N +ATOM 328 N ILE H 820 -37.537 88.639 8.388 1.00 95.90 N +ATOM 329 CA ILE H 820 -37.456 87.638 9.454 1.00 95.09 C +ATOM 330 C ILE H 820 -36.172 86.840 9.392 1.00 95.60 C +ATOM 331 O ILE H 820 -35.475 86.704 10.399 1.00 93.89 O +ATOM 332 CB ILE H 820 -38.614 86.640 9.374 1.00 94.02 C +ATOM 333 CG1 ILE H 820 -39.935 87.393 9.309 1.00 92.18 C +ATOM 334 CG2 ILE H 820 -38.597 85.731 10.590 1.00 93.16 C +ATOM 335 CD1 ILE H 820 -41.068 86.529 8.906 1.00 91.96 C +ATOM 336 N ARG H 821 -35.880 86.300 8.208 1.00 96.80 N +ATOM 337 CA ARG H 821 -34.668 85.512 7.998 1.00 98.95 C +ATOM 338 C ARG H 821 -33.495 86.314 8.569 1.00 99.58 C +ATOM 339 O ARG H 821 -32.531 85.762 9.107 1.00 99.64 O +ATOM 340 CB ARG H 821 -34.449 85.254 6.495 1.00 99.88 C +ATOM 341 CG ARG H 821 -33.416 84.162 6.160 1.00103.51 C +ATOM 342 CD ARG H 821 -33.028 84.139 4.663 1.00107.55 C +ATOM 343 NE ARG H 821 -34.183 83.994 3.764 1.00111.35 N +ATOM 344 CZ ARG H 821 -34.433 82.926 3.001 1.00112.91 C +ATOM 345 NH1 ARG H 821 -33.603 81.883 3.017 1.00113.64 N +ATOM 346 NH2 ARG H 821 -35.515 82.895 2.220 1.00110.39 N +ATOM 347 N HIS H 822 -33.608 87.632 8.477 1.00 99.64 N +ATOM 348 CA HIS H 822 -32.560 88.517 8.949 1.00 99.10 C +ATOM 349 C HIS H 822 -32.523 88.729 10.464 1.00 98.50 C +ATOM 350 O HIS H 822 -31.455 88.639 11.075 1.00 96.90 O +ATOM 351 CB HIS H 822 -32.682 89.873 8.238 1.00100.12 C +ATOM 352 CG HIS H 822 -31.584 90.832 8.579 1.00100.82 C +ATOM 353 ND1 HIS H 822 -30.276 90.632 8.190 1.00100.08 N +ATOM 354 CD2 HIS H 822 -31.585 91.953 9.339 1.00 99.46 C +ATOM 355 CE1 HIS H 822 -29.518 91.585 8.703 1.00 99.75 C +ATOM 356 NE2 HIS H 822 -30.287 92.398 9.405 1.00 99.25 N +ATOM 357 N GLU H 823 -33.682 89.008 11.062 1.00 98.55 N +ATOM 358 CA GLU H 823 -33.770 89.277 12.498 1.00 98.38 C +ATOM 359 C GLU H 823 -33.304 88.129 13.389 1.00 97.81 C +ATOM 360 O GLU H 823 -33.012 88.340 14.566 1.00 96.80 O +ATOM 361 CB GLU H 823 -35.202 89.662 12.883 1.00 99.34 C +ATOM 362 CG GLU H 823 -35.308 90.388 14.228 1.00102.84 C +ATOM 363 CD GLU H 823 -36.754 90.562 14.709 1.00106.64 C +ATOM 364 OE1 GLU H 823 -37.662 90.800 13.873 1.00108.00 O +ATOM 365 OE2 GLU H 823 -36.984 90.474 15.934 1.00107.51 O +ATOM 366 N PHE H 824 -33.234 86.924 12.829 1.00 97.52 N +ATOM 367 CA PHE H 824 -32.812 85.753 13.584 1.00 97.46 C +ATOM 368 C PHE H 824 -31.815 84.899 12.805 1.00101.67 C +ATOM 369 O PHE H 824 -31.709 83.700 13.036 1.00102.50 O +ATOM 370 CB PHE H 824 -34.028 84.904 13.937 1.00 91.73 C +ATOM 371 CG PHE H 824 -35.134 85.676 14.585 1.00 88.00 C +ATOM 372 CD1 PHE H 824 -36.232 86.104 13.841 1.00 86.47 C +ATOM 373 CD2 PHE H 824 -35.068 86.017 15.932 1.00 84.04 C +ATOM 374 CE1 PHE H 824 -37.248 86.869 14.435 1.00 81.78 C +ATOM 375 CE2 PHE H 824 -36.075 86.776 16.520 1.00 81.56 C +ATOM 376 CZ PHE H 824 -37.165 87.203 15.767 1.00 79.49 C +ATOM 377 N ARG H 825 -31.079 85.524 11.891 1.00106.28 N +ATOM 378 CA ARG H 825 -30.099 84.837 11.048 1.00108.99 C +ATOM 379 C ARG H 825 -29.258 83.749 11.727 1.00108.87 C +ATOM 380 O ARG H 825 -28.693 82.882 11.053 1.00109.64 O +ATOM 381 CB ARG H 825 -29.167 85.868 10.390 1.00112.31 C +ATOM 382 CG ARG H 825 -28.419 86.786 11.361 1.00116.56 C +ATOM 383 CD ARG H 825 -27.395 87.644 10.612 1.00121.09 C +ATOM 384 NE ARG H 825 -26.628 88.536 11.484 1.00124.86 N +ATOM 385 CZ ARG H 825 -27.123 89.616 12.090 1.00127.28 C +ATOM 386 NH1 ARG H 825 -28.401 89.954 11.925 1.00126.42 N +ATOM 387 NH2 ARG H 825 -26.336 90.364 12.860 1.00128.18 N +ATOM 388 N ASP H 826 -29.179 83.786 13.052 1.00107.89 N +ATOM 389 CA ASP H 826 -28.390 82.806 13.804 1.00107.78 C +ATOM 390 C ASP H 826 -29.260 81.832 14.610 1.00105.51 C +ATOM 391 O ASP H 826 -28.787 81.189 15.556 1.00104.27 O +ATOM 392 CB ASP H 826 -27.452 83.546 14.751 1.00110.04 C +ATOM 393 CG ASP H 826 -28.144 84.701 15.457 1.00113.17 C +ATOM 394 OD1 ASP H 826 -27.578 85.214 16.450 1.00115.57 O +ATOM 395 OD2 ASP H 826 -29.249 85.101 15.013 1.00112.65 O +ATOM 396 N ASP H 827 -30.521 81.710 14.210 1.00102.52 N +ATOM 397 CA ASP H 827 -31.468 80.857 14.906 1.00 99.34 C +ATOM 398 C ASP H 827 -32.623 80.457 13.991 1.00 96.59 C +ATOM 399 O ASP H 827 -33.642 81.137 13.940 1.00 94.87 O +ATOM 400 CB ASP H 827 -31.980 81.629 16.124 1.00101.86 C +ATOM 401 CG ASP H 827 -33.085 80.913 16.861 1.00104.66 C +ATOM 402 OD1 ASP H 827 -33.424 81.364 17.983 1.00106.50 O +ATOM 403 OD2 ASP H 827 -33.617 79.915 16.326 1.00106.35 O +ATOM 404 N LEU H 828 -32.463 79.346 13.277 1.00 94.56 N +ATOM 405 CA LEU H 828 -33.499 78.872 12.363 1.00 92.38 C +ATOM 406 C LEU H 828 -34.813 78.697 13.078 1.00 92.84 C +ATOM 407 O LEU H 828 -35.854 79.089 12.572 1.00 93.66 O +ATOM 408 CB LEU H 828 -33.103 77.544 11.720 1.00 89.56 C +ATOM 409 CG LEU H 828 -34.117 76.934 10.749 1.00 87.26 C +ATOM 410 CD1 LEU H 828 -34.722 77.992 9.859 1.00 84.09 C +ATOM 411 CD2 LEU H 828 -33.428 75.890 9.911 1.00 86.84 C +ATOM 412 N ASP H 829 -34.762 78.098 14.260 1.00 93.58 N +ATOM 413 CA ASP H 829 -35.966 77.882 15.046 1.00 93.65 C +ATOM 414 C ASP H 829 -36.768 79.168 15.199 1.00 93.22 C +ATOM 415 O ASP H 829 -37.798 79.336 14.547 1.00 93.91 O +ATOM 416 CB ASP H 829 -35.610 77.314 16.429 1.00 94.97 C +ATOM 417 CG ASP H 829 -35.491 75.787 16.429 1.00 96.75 C +ATOM 418 OD1 ASP H 829 -36.518 75.102 16.203 1.00 97.05 O +ATOM 419 OD2 ASP H 829 -34.371 75.271 16.651 1.00 96.94 O +ATOM 420 N GLU H 830 -36.287 80.081 16.039 1.00 92.61 N +ATOM 421 CA GLU H 830 -36.990 81.335 16.281 1.00 92.22 C +ATOM 422 C GLU H 830 -37.421 81.999 14.988 1.00 91.30 C +ATOM 423 O GLU H 830 -38.366 82.780 14.971 1.00 91.87 O +ATOM 424 CB GLU H 830 -36.132 82.294 17.110 1.00 93.25 C +ATOM 425 CG GLU H 830 -36.879 83.535 17.620 1.00 96.73 C +ATOM 426 CD GLU H 830 -37.987 83.231 18.643 1.00 99.51 C +ATOM 427 OE1 GLU H 830 -37.673 82.733 19.748 1.00101.19 O +ATOM 428 OE2 GLU H 830 -39.175 83.504 18.346 1.00 99.33 O +ATOM 429 N GLN H 831 -36.741 81.699 13.896 1.00 90.83 N +ATOM 430 CA GLN H 831 -37.155 82.286 12.636 1.00 92.41 C +ATOM 431 C GLN H 831 -38.536 81.752 12.314 1.00 92.35 C +ATOM 432 O GLN H 831 -39.453 82.505 12.012 1.00 93.29 O +ATOM 433 CB GLN H 831 -36.183 81.926 11.510 1.00 92.88 C +ATOM 434 CG GLN H 831 -35.066 82.939 11.350 1.00 93.99 C +ATOM 435 CD GLN H 831 -33.986 82.519 10.377 1.00 92.02 C +ATOM 436 OE1 GLN H 831 -32.984 83.214 10.220 1.00 93.08 O +ATOM 437 NE2 GLN H 831 -34.174 81.389 9.728 1.00 90.37 N +ATOM 438 N ILE H 832 -38.689 80.441 12.415 1.00 92.15 N +ATOM 439 CA ILE H 832 -39.955 79.813 12.106 1.00 92.17 C +ATOM 440 C ILE H 832 -41.048 80.089 13.128 1.00 92.07 C +ATOM 441 O ILE H 832 -42.204 80.324 12.757 1.00 92.00 O +ATOM 442 CB ILE H 832 -39.784 78.305 11.952 1.00 92.60 C +ATOM 443 CG1 ILE H 832 -38.669 78.024 10.944 1.00 92.29 C +ATOM 444 CG2 ILE H 832 -41.097 77.687 11.470 1.00 94.03 C +ATOM 445 CD1 ILE H 832 -38.370 76.566 10.752 1.00 92.46 C +ATOM 446 N ARG H 833 -40.706 80.051 14.411 1.00 91.19 N +ATOM 447 CA ARG H 833 -41.725 80.316 15.408 1.00 91.28 C +ATOM 448 C ARG H 833 -42.242 81.707 15.101 1.00 92.73 C +ATOM 449 O ARG H 833 -43.429 81.888 14.808 1.00 93.19 O +ATOM 450 CB ARG H 833 -41.152 80.259 16.824 1.00 89.23 C +ATOM 451 CG ARG H 833 -40.398 78.988 17.089 1.00 90.94 C +ATOM 452 CD ARG H 833 -40.562 78.488 18.505 1.00 92.23 C +ATOM 453 NE ARG H 833 -39.269 78.122 19.074 1.00 93.54 N +ATOM 454 CZ ARG H 833 -38.377 79.015 19.487 1.00 94.30 C +ATOM 455 NH1 ARG H 833 -38.663 80.307 19.392 1.00 94.33 N +ATOM 456 NH2 ARG H 833 -37.204 78.628 19.981 1.00 93.56 N +ATOM 457 N HIS H 834 -41.332 82.681 15.121 1.00 93.13 N +ATOM 458 CA HIS H 834 -41.698 84.064 14.864 1.00 92.68 C +ATOM 459 C HIS H 834 -42.531 84.195 13.600 1.00 91.46 C +ATOM 460 O HIS H 834 -43.451 85.005 13.536 1.00 91.34 O +ATOM 461 CB HIS H 834 -40.453 84.946 14.765 1.00 94.45 C +ATOM 462 CG HIS H 834 -40.762 86.404 14.599 1.00 98.45 C +ATOM 463 ND1 HIS H 834 -41.371 86.914 13.471 1.00 99.09 N +ATOM 464 CD2 HIS H 834 -40.565 87.460 15.427 1.00 99.54 C +ATOM 465 CE1 HIS H 834 -41.536 88.218 13.611 1.00 99.52 C +ATOM 466 NE2 HIS H 834 -41.055 88.575 14.789 1.00100.23 N +ATOM 467 N MET H 835 -42.227 83.393 12.594 1.00 90.38 N +ATOM 468 CA MET H 835 -42.985 83.472 11.355 1.00 90.23 C +ATOM 469 C MET H 835 -44.434 83.099 11.610 1.00 90.36 C +ATOM 470 O MET H 835 -45.333 83.909 11.394 1.00 90.01 O +ATOM 471 CB MET H 835 -42.379 82.544 10.304 1.00 89.44 C +ATOM 472 CG MET H 835 -42.951 82.723 8.919 1.00 87.29 C +ATOM 473 SD MET H 835 -44.571 82.025 8.752 1.00 86.35 S +ATOM 474 CE MET H 835 -44.182 80.495 7.897 1.00 87.20 C +ATOM 475 N LEU H 836 -44.641 81.871 12.083 1.00 90.41 N +ATOM 476 CA LEU H 836 -45.968 81.338 12.377 1.00 90.27 C +ATOM 477 C LEU H 836 -46.767 82.119 13.421 1.00 91.03 C +ATOM 478 O LEU H 836 -47.892 82.542 13.153 1.00 90.63 O +ATOM 479 CB LEU H 836 -45.845 79.878 12.819 1.00 87.93 C +ATOM 480 CG LEU H 836 -46.114 78.785 11.785 1.00 86.09 C +ATOM 481 CD1 LEU H 836 -45.963 79.335 10.381 1.00 83.72 C +ATOM 482 CD2 LEU H 836 -45.162 77.618 12.030 1.00 85.37 C +ATOM 483 N PHE H 837 -46.202 82.301 14.611 1.00 91.64 N +ATOM 484 CA PHE H 837 -46.907 83.028 15.661 1.00 93.72 C +ATOM 485 C PHE H 837 -47.292 84.464 15.269 1.00 96.27 C +ATOM 486 O PHE H 837 -48.345 84.952 15.673 1.00 97.85 O +ATOM 487 CB PHE H 837 -46.088 83.017 16.958 1.00 91.40 C +ATOM 488 CG PHE H 837 -46.213 81.739 17.736 1.00 90.92 C +ATOM 489 CD1 PHE H 837 -45.791 80.535 17.200 1.00 91.77 C +ATOM 490 CD2 PHE H 837 -46.792 81.726 18.994 1.00 91.52 C +ATOM 491 CE1 PHE H 837 -45.950 79.329 17.909 1.00 90.45 C +ATOM 492 CE2 PHE H 837 -46.950 80.521 19.704 1.00 90.39 C +ATOM 493 CZ PHE H 837 -46.528 79.328 19.155 1.00 88.08 C +ATOM 494 N SER H 838 -46.459 85.136 14.476 1.00 98.13 N +ATOM 495 CA SER H 838 -46.746 86.504 14.038 1.00 97.96 C +ATOM 496 C SER H 838 -47.860 86.512 13.014 1.00 97.68 C +ATOM 497 O SER H 838 -48.470 87.542 12.760 1.00 98.12 O +ATOM 498 CB SER H 838 -45.504 87.153 13.428 1.00 98.67 C +ATOM 499 OG SER H 838 -44.580 87.503 14.442 1.00 99.03 O +ATOM 500 N TRP H 839 -48.100 85.354 12.415 1.00 97.77 N +ATOM 501 CA TRP H 839 -49.154 85.189 11.426 1.00 97.56 C +ATOM 502 C TRP H 839 -50.383 84.741 12.178 1.00 99.46 C +ATOM 503 O TRP H 839 -51.497 84.877 11.693 1.00100.12 O +ATOM 504 CB TRP H 839 -48.773 84.116 10.420 1.00 95.97 C +ATOM 505 CG TRP H 839 -49.921 83.589 9.653 1.00 93.50 C +ATOM 506 CD1 TRP H 839 -50.392 84.040 8.458 1.00 94.77 C +ATOM 507 CD2 TRP H 839 -50.767 82.514 10.040 1.00 93.06 C +ATOM 508 NE1 TRP H 839 -51.486 83.306 8.071 1.00 93.67 N +ATOM 509 CE2 TRP H 839 -51.737 82.361 9.027 1.00 92.15 C +ATOM 510 CE3 TRP H 839 -50.801 81.661 11.151 1.00 93.06 C +ATOM 511 CZ2 TRP H 839 -52.728 81.394 9.088 1.00 91.88 C +ATOM 512 CZ3 TRP H 839 -51.782 80.702 11.215 1.00 93.24 C +ATOM 513 CH2 TRP H 839 -52.738 80.574 10.185 1.00 94.28 C +ATOM 514 N ALA H 840 -50.162 84.185 13.364 1.00102.07 N +ATOM 515 CA ALA H 840 -51.244 83.717 14.220 1.00103.99 C +ATOM 516 C ALA H 840 -51.935 84.921 14.876 1.00106.03 C +ATOM 517 O ALA H 840 -53.137 84.891 15.137 1.00107.41 O +ATOM 518 CB ALA H 840 -50.693 82.775 15.277 1.00103.12 C +ATOM 519 N GLU H 841 -51.170 85.975 15.142 1.00107.70 N +ATOM 520 CA GLU H 841 -51.712 87.199 15.727 1.00109.18 C +ATOM 521 C GLU H 841 -52.664 87.824 14.709 1.00108.92 C +ATOM 522 O GLU H 841 -53.861 87.945 14.938 1.00109.38 O +ATOM 523 CB GLU H 841 -50.592 88.202 15.993 1.00112.61 C +ATOM 524 CG GLU H 841 -49.548 87.764 16.989 1.00118.47 C +ATOM 525 CD GLU H 841 -50.008 87.930 18.418 1.00121.78 C +ATOM 526 OE1 GLU H 841 -51.117 88.479 18.617 1.00124.20 O +ATOM 527 OE2 GLU H 841 -49.258 87.520 19.337 1.00123.74 O +ATOM 528 N ARG H 842 -52.099 88.227 13.579 1.00108.27 N +ATOM 529 CA ARG H 842 -52.839 88.849 12.492 1.00107.64 C +ATOM 530 C ARG H 842 -54.032 88.006 12.036 1.00107.79 C +ATOM 531 O ARG H 842 -54.799 88.410 11.165 1.00107.37 O +ATOM 532 CB ARG H 842 -51.880 89.100 11.315 1.00107.32 C +ATOM 533 CG ARG H 842 -50.647 89.932 11.692 1.00106.55 C +ATOM 534 CD ARG H 842 -49.655 90.071 10.542 1.00105.51 C +ATOM 535 NE ARG H 842 -48.845 88.872 10.332 1.00104.05 N +ATOM 536 CZ ARG H 842 -48.906 88.096 9.253 1.00102.72 C +ATOM 537 NH1 ARG H 842 -49.747 88.377 8.265 1.00101.33 N +ATOM 538 NH2 ARG H 842 -48.106 87.046 9.158 1.00101.48 N +ATOM 539 N GLN H 843 -54.194 86.833 12.628 1.00108.80 N +ATOM 540 CA GLN H 843 -55.300 85.968 12.258 1.00111.01 C +ATOM 541 C GLN H 843 -56.322 85.846 13.392 1.00112.97 C +ATOM 542 O GLN H 843 -57.379 85.246 13.210 1.00113.97 O +ATOM 543 CB GLN H 843 -54.764 84.592 11.870 1.00110.23 C +ATOM 544 CG GLN H 843 -55.318 84.060 10.559 1.00109.92 C +ATOM 545 CD GLN H 843 -55.299 85.097 9.456 1.00109.32 C +ATOM 546 OE1 GLN H 843 -54.331 85.838 9.312 1.00108.76 O +ATOM 547 NE2 GLN H 843 -56.369 85.148 8.665 1.00108.61 N +ATOM 548 N ALA H 844 -55.991 86.442 14.540 1.00114.43 N +ATOM 549 CA ALA H 844 -56.810 86.459 15.760 1.00115.87 C +ATOM 550 C ALA H 844 -58.278 86.049 15.638 1.00118.01 C +ATOM 551 O ALA H 844 -58.796 85.325 16.493 1.00118.52 O +ATOM 552 CB ALA H 844 -56.724 87.828 16.405 1.00115.11 C +ATOM 553 N GLY H 845 -58.961 86.534 14.607 1.00119.46 N +ATOM 554 CA GLY H 845 -60.351 86.156 14.422 1.00121.94 C +ATOM 555 C GLY H 845 -60.480 85.443 13.091 1.00123.89 C +ATOM 556 O GLY H 845 -60.046 84.297 12.932 1.00124.27 O +ATOM 557 N GLN H 846 -61.082 86.134 12.130 1.00125.23 N +ATOM 558 CA GLN H 846 -61.256 85.619 10.775 1.00125.53 C +ATOM 559 C GLN H 846 -61.955 84.268 10.703 1.00124.93 C +ATOM 560 O GLN H 846 -62.118 83.575 11.707 1.00124.22 O +ATOM 561 CB GLN H 846 -59.891 85.524 10.081 1.00126.41 C +ATOM 562 CG GLN H 846 -58.941 86.655 10.448 1.00126.85 C +ATOM 563 CD GLN H 846 -59.646 87.995 10.549 1.00126.26 C +ATOM 564 OE1 GLN H 846 -60.205 88.494 9.571 1.00125.96 O +ATOM 565 NE2 GLN H 846 -59.629 88.580 11.743 1.00125.01 N +ATOM 566 N PRO H 847 -62.383 83.877 9.495 1.00125.05 N +ATOM 567 CA PRO H 847 -63.058 82.586 9.372 1.00124.12 C +ATOM 568 C PRO H 847 -62.068 81.438 9.544 1.00122.91 C +ATOM 569 O PRO H 847 -61.537 81.215 10.636 1.00122.44 O +ATOM 570 CB PRO H 847 -63.663 82.648 7.967 1.00124.76 C +ATOM 571 CG PRO H 847 -62.639 83.461 7.205 1.00124.68 C +ATOM 572 CD PRO H 847 -62.307 84.569 8.191 1.00125.23 C +ATOM 573 N GLY H 848 -61.808 80.736 8.445 1.00121.91 N +ATOM 574 CA GLY H 848 -60.909 79.597 8.466 1.00120.00 C +ATOM 575 C GLY H 848 -59.433 79.913 8.521 1.00118.25 C +ATOM 576 O GLY H 848 -58.677 79.542 7.617 1.00118.70 O +ATOM 577 N ALA H 849 -59.020 80.602 9.579 1.00115.83 N +ATOM 578 CA ALA H 849 -57.616 80.931 9.759 1.00112.66 C +ATOM 579 C ALA H 849 -56.856 79.607 9.706 1.00110.54 C +ATOM 580 O ALA H 849 -55.894 79.456 8.955 1.00109.30 O +ATOM 581 CB ALA H 849 -57.414 81.608 11.104 1.00113.30 C +ATOM 582 N VAL H 850 -57.323 78.641 10.494 1.00108.55 N +ATOM 583 CA VAL H 850 -56.714 77.318 10.549 1.00106.44 C +ATOM 584 C VAL H 850 -56.836 76.583 9.228 1.00106.57 C +ATOM 585 O VAL H 850 -55.963 75.803 8.853 1.00106.46 O +ATOM 586 CB VAL H 850 -57.372 76.443 11.607 1.00104.71 C +ATOM 587 CG1 VAL H 850 -56.747 75.068 11.587 1.00102.55 C +ATOM 588 CG2 VAL H 850 -57.222 77.078 12.970 1.00105.27 C +ATOM 589 N GLY H 851 -57.936 76.817 8.529 1.00106.84 N +ATOM 590 CA GLY H 851 -58.127 76.153 7.257 1.00106.21 C +ATOM 591 C GLY H 851 -57.070 76.573 6.260 1.00105.27 C +ATOM 592 O GLY H 851 -56.562 75.741 5.494 1.00104.85 O +ATOM 593 N LEU H 852 -56.741 77.867 6.276 1.00103.62 N +ATOM 594 CA LEU H 852 -55.746 78.424 5.365 1.00102.28 C +ATOM 595 C LEU H 852 -54.382 77.786 5.577 1.00100.02 C +ATOM 596 O LEU H 852 -53.747 77.329 4.620 1.00 99.94 O +ATOM 597 CB LEU H 852 -55.644 79.946 5.540 1.00103.24 C +ATOM 598 CG LEU H 852 -56.264 80.817 4.433 1.00104.49 C +ATOM 599 CD1 LEU H 852 -56.384 82.253 4.925 1.00104.08 C +ATOM 600 CD2 LEU H 852 -55.419 80.748 3.150 1.00103.95 C +ATOM 601 N LEU H 853 -53.945 77.753 6.834 1.00 95.98 N +ATOM 602 CA LEU H 853 -52.658 77.172 7.190 1.00 91.98 C +ATOM 603 C LEU H 853 -52.537 75.777 6.595 1.00 91.26 C +ATOM 604 O LEU H 853 -51.530 75.443 5.984 1.00 90.75 O +ATOM 605 CB LEU H 853 -52.520 77.093 8.709 1.00 88.00 C +ATOM 606 CG LEU H 853 -51.126 76.880 9.284 1.00 84.66 C +ATOM 607 CD1 LEU H 853 -51.229 76.832 10.782 1.00 83.40 C +ATOM 608 CD2 LEU H 853 -50.521 75.611 8.765 1.00 83.22 C +ATOM 609 N VAL H 854 -53.566 74.958 6.777 1.00 91.30 N +ATOM 610 CA VAL H 854 -53.537 73.604 6.240 1.00 90.72 C +ATOM 611 C VAL H 854 -53.371 73.670 4.744 1.00 90.66 C +ATOM 612 O VAL H 854 -52.646 72.875 4.147 1.00 89.14 O +ATOM 613 CB VAL H 854 -54.831 72.822 6.573 1.00 89.63 C +ATOM 614 CG1 VAL H 854 -55.004 71.649 5.609 1.00 87.93 C +ATOM 615 CG2 VAL H 854 -54.755 72.305 8.004 1.00 86.93 C +ATOM 616 N GLN H 855 -54.042 74.642 4.146 1.00 92.79 N +ATOM 617 CA GLN H 855 -53.988 74.809 2.710 1.00 94.69 C +ATOM 618 C GLN H 855 -52.575 75.169 2.265 1.00 94.11 C +ATOM 619 O GLN H 855 -52.059 74.604 1.303 1.00 93.73 O +ATOM 620 CB GLN H 855 -54.975 75.882 2.273 1.00 96.20 C +ATOM 621 CG GLN H 855 -55.400 75.698 0.841 1.00 99.86 C +ATOM 622 CD GLN H 855 -55.490 77.005 0.099 1.00102.14 C +ATOM 623 OE1 GLN H 855 -55.671 77.020 -1.118 1.00103.29 O +ATOM 624 NE2 GLN H 855 -55.361 78.119 0.826 1.00102.63 N +ATOM 625 N ALA H 856 -51.950 76.109 2.964 1.00 93.34 N +ATOM 626 CA ALA H 856 -50.588 76.499 2.631 1.00 92.41 C +ATOM 627 C ALA H 856 -49.700 75.260 2.733 1.00 92.50 C +ATOM 628 O ALA H 856 -49.094 74.851 1.756 1.00 92.54 O +ATOM 629 CB ALA H 856 -50.097 77.587 3.580 1.00 90.49 C +ATOM 630 N LEU H 857 -49.645 74.649 3.911 1.00 92.98 N +ATOM 631 CA LEU H 857 -48.830 73.459 4.108 1.00 93.48 C +ATOM 632 C LEU H 857 -48.949 72.458 2.962 1.00 95.56 C +ATOM 633 O LEU H 857 -47.964 71.835 2.580 1.00 96.66 O +ATOM 634 CB LEU H 857 -49.187 72.780 5.429 1.00 91.59 C +ATOM 635 CG LEU H 857 -48.775 73.519 6.702 1.00 90.45 C +ATOM 636 CD1 LEU H 857 -49.271 72.763 7.905 1.00 91.49 C +ATOM 637 CD2 LEU H 857 -47.276 73.642 6.771 1.00 90.52 C +ATOM 638 N GLU H 858 -50.146 72.287 2.413 1.00 97.70 N +ATOM 639 CA GLU H 858 -50.320 71.357 1.298 1.00100.01 C +ATOM 640 C GLU H 858 -49.690 71.982 0.067 1.00 99.04 C +ATOM 641 O GLU H 858 -48.935 71.343 -0.657 1.00 97.65 O +ATOM 642 CB GLU H 858 -51.805 71.107 1.022 1.00104.31 C +ATOM 643 CG GLU H 858 -52.492 70.182 2.014 1.00110.68 C +ATOM 644 CD GLU H 858 -53.999 70.121 1.807 1.00113.79 C +ATOM 645 OE1 GLU H 858 -54.665 71.150 2.055 1.00116.32 O +ATOM 646 OE2 GLU H 858 -54.514 69.053 1.393 1.00114.72 O +ATOM 647 N GLN H 859 -50.021 73.254 -0.139 1.00 99.12 N +ATOM 648 CA GLN H 859 -49.547 74.055 -1.256 1.00 98.15 C +ATOM 649 C GLN H 859 -48.024 74.190 -1.211 1.00 97.67 C +ATOM 650 O GLN H 859 -47.397 74.526 -2.212 1.00 98.43 O +ATOM 651 CB GLN H 859 -50.193 75.434 -1.182 1.00 98.76 C +ATOM 652 CG GLN H 859 -50.557 76.042 -2.515 1.00103.94 C +ATOM 653 CD GLN H 859 -51.844 75.484 -3.086 1.00107.49 C +ATOM 654 OE1 GLN H 859 -51.866 74.406 -3.690 1.00108.82 O +ATOM 655 NE2 GLN H 859 -52.937 76.218 -2.888 1.00108.76 N +ATOM 656 N SER H 860 -47.443 73.943 -0.037 1.00 96.35 N +ATOM 657 CA SER H 860 -45.996 74.007 0.162 1.00 93.33 C +ATOM 658 C SER H 860 -45.460 72.595 0.156 1.00 92.69 C +ATOM 659 O SER H 860 -44.577 72.258 0.932 1.00 89.69 O +ATOM 660 CB SER H 860 -45.646 74.648 1.502 1.00 92.25 C +ATOM 661 OG SER H 860 -45.903 76.034 1.504 1.00 92.10 O +ATOM 662 N ASP H 861 -46.030 71.766 -0.707 1.00 94.85 N +ATOM 663 CA ASP H 861 -45.615 70.379 -0.852 1.00 98.50 C +ATOM 664 C ASP H 861 -45.346 69.602 0.449 1.00100.28 C +ATOM 665 O ASP H 861 -44.370 68.845 0.548 1.00100.02 O +ATOM 666 CB ASP H 861 -44.387 70.327 -1.749 1.00100.21 C +ATOM 667 CG ASP H 861 -44.556 69.370 -2.887 1.00102.78 C +ATOM 668 OD1 ASP H 861 -44.535 68.151 -2.622 1.00103.45 O +ATOM 669 OD2 ASP H 861 -44.721 69.838 -4.041 1.00105.21 O +ATOM 670 N ARG H 862 -46.225 69.786 1.434 1.00101.16 N +ATOM 671 CA ARG H 862 -46.117 69.099 2.718 1.00100.93 C +ATOM 672 C ARG H 862 -47.447 68.464 3.141 1.00103.37 C +ATOM 673 O ARG H 862 -47.956 68.785 4.221 1.00104.35 O +ATOM 674 CB ARG H 862 -45.675 70.066 3.820 1.00 97.64 C +ATOM 675 CG ARG H 862 -44.364 70.745 3.561 1.00 93.96 C +ATOM 676 CD ARG H 862 -43.200 69.783 3.632 1.00 90.16 C +ATOM 677 NE ARG H 862 -42.528 69.854 4.923 1.00 86.90 N +ATOM 678 CZ ARG H 862 -42.799 69.055 5.945 1.00 87.04 C +ATOM 679 NH1 ARG H 862 -43.731 68.126 5.807 1.00 89.44 N +ATOM 680 NH2 ARG H 862 -42.146 69.181 7.093 1.00 82.76 N +ATOM 681 N GLN H 863 -48.017 67.583 2.307 1.00104.55 N +ATOM 682 CA GLN H 863 -49.266 66.891 2.660 1.00104.38 C +ATOM 683 C GLN H 863 -48.981 66.267 4.025 1.00102.65 C +ATOM 684 O GLN H 863 -49.873 65.945 4.800 1.00101.56 O +ATOM 685 CB GLN H 863 -49.579 65.791 1.648 1.00107.09 C +ATOM 686 CG GLN H 863 -50.875 65.038 1.945 1.00112.43 C +ATOM 687 CD GLN H 863 -52.117 65.891 1.707 1.00115.51 C +ATOM 688 OE1 GLN H 863 -53.242 65.509 2.069 1.00115.77 O +ATOM 689 NE2 GLN H 863 -51.918 67.052 1.086 1.00116.64 N +ATOM 690 N ASP H 864 -47.686 66.118 4.269 1.00101.81 N +ATOM 691 CA ASP H 864 -47.082 65.600 5.482 1.00 99.24 C +ATOM 692 C ASP H 864 -47.711 66.241 6.716 1.00 97.46 C +ATOM 693 O ASP H 864 -48.425 65.591 7.474 1.00 95.93 O +ATOM 694 CB ASP H 864 -45.587 65.933 5.414 1.00100.53 C +ATOM 695 CG ASP H 864 -44.822 65.494 6.636 1.00103.73 C +ATOM 696 OD1 ASP H 864 -44.620 64.276 6.812 1.00107.12 O +ATOM 697 OD2 ASP H 864 -44.408 66.367 7.428 1.00105.68 O +ATOM 698 N VAL H 865 -47.436 67.531 6.899 1.00 96.50 N +ATOM 699 CA VAL H 865 -47.932 68.291 8.042 1.00 94.77 C +ATOM 700 C VAL H 865 -49.320 68.856 7.797 1.00 94.31 C +ATOM 701 O VAL H 865 -49.903 69.463 8.679 1.00 94.38 O +ATOM 702 CB VAL H 865 -46.973 69.465 8.401 1.00 94.42 C +ATOM 703 CG1 VAL H 865 -47.391 70.114 9.702 1.00 94.03 C +ATOM 704 CG2 VAL H 865 -45.554 68.958 8.540 1.00 94.33 C +ATOM 705 N ALA H 866 -49.854 68.682 6.597 1.00 95.12 N +ATOM 706 CA ALA H 866 -51.203 69.169 6.330 1.00 94.94 C +ATOM 707 C ALA H 866 -52.131 68.240 7.103 1.00 95.05 C +ATOM 708 O ALA H 866 -53.030 68.698 7.800 1.00 96.02 O +ATOM 709 CB ALA H 866 -51.512 69.106 4.847 1.00 94.63 C +ATOM 710 N GLU H 867 -51.870 66.937 6.994 1.00 94.23 N +ATOM 711 CA GLU H 867 -52.643 65.902 7.662 1.00 93.95 C +ATOM 712 C GLU H 867 -52.581 65.903 9.191 1.00 95.15 C +ATOM 713 O GLU H 867 -53.610 65.732 9.819 1.00 95.26 O +ATOM 714 CB GLU H 867 -52.222 64.542 7.139 1.00 94.98 C +ATOM 715 CG GLU H 867 -52.204 64.477 5.620 1.00101.09 C +ATOM 716 CD GLU H 867 -51.719 63.128 5.080 1.00104.16 C +ATOM 717 OE1 GLU H 867 -50.846 62.503 5.726 1.00105.93 O +ATOM 718 OE2 GLU H 867 -52.194 62.702 4.001 1.00104.19 O +ATOM 719 N GLU H 868 -51.407 66.073 9.809 1.00 97.90 N +ATOM 720 CA GLU H 868 -51.371 66.089 11.277 1.00 99.41 C +ATOM 721 C GLU H 868 -52.231 67.235 11.764 1.00100.50 C +ATOM 722 O GLU H 868 -53.005 67.076 12.706 1.00102.26 O +ATOM 723 CB GLU H 868 -49.971 66.310 11.899 1.00101.14 C +ATOM 724 CG GLU H 868 -50.054 66.172 13.499 1.00105.40 C +ATOM 725 CD GLU H 868 -49.211 67.161 14.386 1.00104.33 C +ATOM 726 OE1 GLU H 868 -49.489 68.394 14.432 1.00100.30 O +ATOM 727 OE2 GLU H 868 -48.281 66.670 15.067 1.00100.31 O +ATOM 728 N VAL H 869 -52.083 68.400 11.141 1.00100.82 N +ATOM 729 CA VAL H 869 -52.860 69.554 11.562 1.00101.55 C +ATOM 730 C VAL H 869 -54.344 69.244 11.508 1.00102.11 C +ATOM 731 O VAL H 869 -55.063 69.548 12.461 1.00102.98 O +ATOM 732 CB VAL H 869 -52.540 70.805 10.726 1.00101.75 C +ATOM 733 CG1 VAL H 869 -53.495 71.932 11.088 1.00101.56 C +ATOM 734 CG2 VAL H 869 -51.118 71.255 11.018 1.00100.85 C +ATOM 735 N ARG H 870 -54.810 68.637 10.416 1.00101.41 N +ATOM 736 CA ARG H 870 -56.219 68.281 10.340 1.00101.72 C +ATOM 737 C ARG H 870 -56.523 67.301 11.475 1.00102.44 C +ATOM 738 O ARG H 870 -57.535 67.432 12.157 1.00103.58 O +ATOM 739 CB ARG H 870 -56.564 67.635 9.003 1.00101.51 C +ATOM 740 CG ARG H 870 -56.547 68.582 7.831 1.00104.52 C +ATOM 741 CD ARG H 870 -57.443 68.075 6.713 1.00108.74 C +ATOM 742 NE ARG H 870 -56.957 68.463 5.390 1.00113.89 N +ATOM 743 CZ ARG H 870 -55.985 67.831 4.730 1.00116.46 C +ATOM 744 NH1 ARG H 870 -55.390 66.769 5.262 1.00117.55 N +ATOM 745 NH2 ARG H 870 -55.599 68.266 3.536 1.00117.56 N +ATOM 746 N ALA H 871 -55.642 66.325 11.682 1.00102.22 N +ATOM 747 CA ALA H 871 -55.824 65.350 12.751 1.00101.72 C +ATOM 748 C ALA H 871 -56.179 66.069 14.045 1.00102.32 C +ATOM 749 O ALA H 871 -57.351 66.210 14.359 1.00103.78 O +ATOM 750 CB ALA H 871 -54.557 64.522 12.943 1.00100.86 C +ATOM 751 N VAL H 872 -55.172 66.534 14.783 1.00103.15 N +ATOM 752 CA VAL H 872 -55.370 67.240 16.064 1.00103.28 C +ATOM 753 C VAL H 872 -56.587 68.174 16.062 1.00103.05 C +ATOM 754 O VAL H 872 -57.109 68.564 17.112 1.00101.59 O +ATOM 755 CB VAL H 872 -54.144 68.103 16.411 1.00103.81 C +ATOM 756 CG1 VAL H 872 -54.174 69.394 15.581 1.00103.04 C +ATOM 757 CG2 VAL H 872 -54.123 68.415 17.902 1.00103.68 C +ATOM 758 N LEU H 873 -57.009 68.534 14.861 1.00102.61 N +ATOM 759 CA LEU H 873 -58.130 69.425 14.636 1.00102.72 C +ATOM 760 C LEU H 873 -59.481 68.722 14.853 1.00102.89 C +ATOM 761 O LEU H 873 -60.536 69.338 14.707 1.00104.67 O +ATOM 762 CB LEU H 873 -58.014 69.956 13.198 1.00102.35 C +ATOM 763 CG LEU H 873 -58.521 71.328 12.775 1.00100.98 C +ATOM 764 CD1 LEU H 873 -59.934 71.222 12.228 1.00101.36 C +ATOM 765 CD2 LEU H 873 -58.410 72.278 13.966 1.00 99.87 C +ATOM 766 N GLU H 874 -59.451 67.442 15.213 1.00101.95 N +ATOM 767 CA GLU H 874 -60.680 66.683 15.412 1.00100.80 C +ATOM 768 C GLU H 874 -61.349 66.866 16.763 1.00101.33 C +ATOM 769 O GLU H 874 -61.015 66.209 17.750 1.00 97.39 O +ATOM 770 CB GLU H 874 -60.421 65.209 15.147 1.00101.61 C +ATOM 771 CG GLU H 874 -60.010 64.948 13.695 1.00104.89 C +ATOM 772 CD GLU H 874 -61.070 64.215 12.872 1.00106.61 C +ATOM 773 OE1 GLU H 874 -61.034 62.960 12.832 1.00106.66 O +ATOM 774 OE2 GLU H 874 -61.937 64.895 12.270 1.00107.60 O +ATOM 775 N LEU H 875 -62.311 67.793 16.764 1.00103.93 N +ATOM 776 CA LEU H 875 -63.127 68.159 17.929 1.00102.89 C +ATOM 777 C LEU H 875 -64.049 69.372 17.608 1.00 99.88 C +ATOM 778 O LEU H 875 -63.617 70.511 17.711 1.00 99.03 O +ATOM 779 CB LEU H 875 -62.209 68.471 19.123 1.00102.79 C +ATOM 780 CG LEU H 875 -62.861 68.054 20.437 1.00105.41 C +ATOM 781 CD1 LEU H 875 -63.921 69.089 20.873 1.00104.67 C +ATOM 782 CD2 LEU H 875 -63.488 66.661 20.240 1.00105.04 C +ATOM 783 N GLY H 876 -65.302 69.126 17.208 1.00 97.06 N +ATOM 784 CA GLY H 876 -66.196 70.232 16.888 1.00 95.68 C +ATOM 785 C GLY H 876 -67.660 69.909 16.602 1.00 95.28 C +ATOM 786 O GLY H 876 -67.943 69.168 15.638 1.00 94.36 O Added: SwiftApps/modFTdock/input/2of5-9.pdb =================================================================== --- SwiftApps/modFTdock/input/2of5-9.pdb (rev 0) +++ SwiftApps/modFTdock/input/2of5-9.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,786 @@ +ATOM 1 N MET I 777 -42.241 113.758 3.120 1.00180.54 N +ATOM 2 CA MET I 777 -41.963 115.154 3.575 1.00181.13 C +ATOM 3 C MET I 777 -42.104 116.181 2.449 1.00180.60 C +ATOM 4 O MET I 777 -42.687 115.900 1.401 1.00180.44 O +ATOM 5 CB MET I 777 -40.547 115.258 4.152 1.00181.94 C +ATOM 6 CG MET I 777 -40.322 114.542 5.474 1.00182.93 C +ATOM 7 SD MET I 777 -38.680 114.929 6.158 1.00184.15 S +ATOM 8 CE MET I 777 -39.065 116.368 7.192 1.00183.15 C +ATOM 9 N ASN I 778 -41.559 117.375 2.685 1.00180.02 N +ATOM 10 CA ASN I 778 -41.588 118.470 1.713 1.00179.21 C +ATOM 11 C ASN I 778 -40.762 118.075 0.490 1.00178.63 C +ATOM 12 O ASN I 778 -40.412 118.924 -0.336 1.00178.72 O +ATOM 13 CB ASN I 778 -40.974 119.746 2.315 1.00179.08 C +ATOM 14 CG ASN I 778 -41.582 120.125 3.654 1.00178.81 C +ATOM 15 OD1 ASN I 778 -41.573 119.337 4.601 1.00178.61 O +ATOM 16 ND2 ASN I 778 -42.103 121.343 3.743 1.00178.22 N +ATOM 17 N LEU I 779 -40.447 116.785 0.386 1.00177.36 N +ATOM 18 CA LEU I 779 -39.638 116.269 -0.712 1.00175.63 C +ATOM 19 C LEU I 779 -40.372 116.328 -2.045 1.00174.58 C +ATOM 20 O LEU I 779 -41.191 115.464 -2.361 1.00174.18 O +ATOM 21 CB LEU I 779 -39.205 114.831 -0.410 1.00174.80 C +ATOM 22 CG LEU I 779 -37.827 114.416 -0.937 1.00173.82 C +ATOM 23 CD1 LEU I 779 -37.843 114.332 -2.449 1.00173.02 C +ATOM 24 CD2 LEU I 779 -36.782 115.419 -0.461 1.00172.92 C +ATOM 25 N GLY I 780 -40.062 117.361 -2.822 1.00173.37 N +ATOM 26 CA GLY I 780 -40.688 117.539 -4.115 1.00172.22 C +ATOM 27 C GLY I 780 -41.172 118.961 -4.299 1.00172.09 C +ATOM 28 O GLY I 780 -41.807 119.526 -3.408 1.00172.01 O +ATOM 29 N ASP I 781 -40.864 119.547 -5.453 1.00172.05 N +ATOM 30 CA ASP I 781 -41.282 120.912 -5.757 1.00171.46 C +ATOM 31 C ASP I 781 -42.515 120.867 -6.655 1.00171.23 C +ATOM 32 O ASP I 781 -42.747 119.880 -7.357 1.00171.11 O +ATOM 33 CB ASP I 781 -40.148 121.689 -6.450 1.00170.86 C +ATOM 34 CG ASP I 781 -40.001 121.339 -7.923 1.00170.27 C +ATOM 35 OD1 ASP I 781 -39.731 120.163 -8.251 1.00169.76 O +ATOM 36 OD2 ASP I 781 -40.153 122.254 -8.758 1.00169.72 O +ATOM 37 N ALA I 782 -43.304 121.937 -6.623 1.00170.84 N +ATOM 38 CA ALA I 782 -44.524 122.031 -7.423 1.00170.14 C +ATOM 39 C ALA I 782 -44.340 121.543 -8.862 1.00169.52 C +ATOM 40 O ALA I 782 -45.253 120.959 -9.450 1.00168.43 O +ATOM 41 CB ALA I 782 -45.030 123.474 -7.422 1.00170.11 C +ATOM 42 N GLU I 783 -43.157 121.782 -9.422 1.00169.46 N +ATOM 43 CA GLU I 783 -42.859 121.376 -10.793 1.00168.84 C +ATOM 44 C GLU I 783 -42.880 119.850 -10.895 1.00168.00 C +ATOM 45 O GLU I 783 -43.927 119.254 -11.173 1.00168.24 O +ATOM 46 CB GLU I 783 -41.484 121.915 -11.222 1.00168.96 C +ATOM 47 CG GLU I 783 -41.317 122.126 -12.729 1.00169.50 C +ATOM 48 CD GLU I 783 -41.986 123.402 -13.234 1.00169.80 C +ATOM 49 OE1 GLU I 783 -41.579 124.500 -12.797 1.00169.68 O +ATOM 50 OE2 GLU I 783 -42.914 123.309 -14.069 1.00169.76 O +ATOM 51 N THR I 784 -41.727 119.226 -10.663 1.00166.18 N +ATOM 52 CA THR I 784 -41.606 117.770 -10.724 1.00164.06 C +ATOM 53 C THR I 784 -42.825 117.112 -10.077 1.00162.18 C +ATOM 54 O THR I 784 -43.744 116.645 -10.758 1.00161.61 O +ATOM 55 CB THR I 784 -40.343 117.285 -9.974 1.00164.47 C +ATOM 56 OG1 THR I 784 -39.212 118.073 -10.370 1.00164.62 O +ATOM 57 CG2 THR I 784 -40.070 115.816 -10.287 1.00163.85 C +ATOM 58 N GLY I 785 -42.817 117.094 -8.749 1.00159.74 N +ATOM 59 CA GLY I 785 -43.902 116.505 -7.992 1.00156.88 C +ATOM 60 C GLY I 785 -43.460 116.413 -6.549 1.00155.20 C +ATOM 61 O GLY I 785 -42.273 116.559 -6.256 1.00154.63 O +ATOM 62 N PHE I 786 -44.403 116.177 -5.643 1.00153.50 N +ATOM 63 CA PHE I 786 -44.074 116.068 -4.227 1.00151.44 C +ATOM 64 C PHE I 786 -43.951 114.610 -3.797 1.00148.59 C +ATOM 65 O PHE I 786 -43.989 113.698 -4.623 1.00148.12 O +ATOM 66 CB PHE I 786 -45.147 116.753 -3.368 1.00153.55 C +ATOM 67 CG PHE I 786 -45.233 118.242 -3.567 1.00155.98 C +ATOM 68 CD1 PHE I 786 -45.731 118.776 -4.758 1.00156.29 C +ATOM 69 CD2 PHE I 786 -44.805 119.116 -2.564 1.00156.63 C +ATOM 70 CE1 PHE I 786 -45.806 120.159 -4.949 1.00156.18 C +ATOM 71 CE2 PHE I 786 -44.874 120.501 -2.745 1.00157.04 C +ATOM 72 CZ PHE I 786 -45.375 121.023 -3.942 1.00156.48 C +ATOM 73 N LEU I 787 -43.797 114.408 -2.494 1.00145.06 N +ATOM 74 CA LEU I 787 -43.690 113.080 -1.918 1.00141.71 C +ATOM 75 C LEU I 787 -43.990 113.168 -0.434 1.00140.34 C +ATOM 76 O LEU I 787 -43.198 113.698 0.345 1.00140.01 O +ATOM 77 CB LEU I 787 -42.293 112.503 -2.141 1.00140.75 C +ATOM 78 CG LEU I 787 -41.977 111.964 -3.539 1.00139.32 C +ATOM 79 CD1 LEU I 787 -40.563 111.426 -3.541 1.00138.27 C +ATOM 80 CD2 LEU I 787 -42.963 110.872 -3.938 1.00137.43 C +ATOM 81 N THR I 788 -45.152 112.654 -0.055 1.00138.55 N +ATOM 82 CA THR I 788 -45.594 112.669 1.331 1.00138.07 C +ATOM 83 C THR I 788 -44.855 111.615 2.121 1.00137.06 C +ATOM 84 O THR I 788 -44.376 110.649 1.543 1.00137.82 O +ATOM 85 CB THR I 788 -47.081 112.323 1.427 1.00139.00 C +ATOM 86 OG1 THR I 788 -47.326 111.128 0.675 1.00139.06 O +ATOM 87 CG2 THR I 788 -47.941 113.450 0.885 1.00139.82 C +ATOM 88 N GLN I 789 -44.766 111.788 3.438 1.00135.63 N +ATOM 89 CA GLN I 789 -44.120 110.780 4.271 1.00134.43 C +ATOM 90 C GLN I 789 -44.771 109.451 3.932 1.00133.35 C +ATOM 91 O GLN I 789 -44.133 108.406 3.992 1.00134.03 O +ATOM 92 CB GLN I 789 -44.340 111.056 5.754 1.00134.77 C +ATOM 93 CG GLN I 789 -43.277 111.912 6.392 1.00137.26 C +ATOM 94 CD GLN I 789 -43.466 112.029 7.889 1.00138.31 C +ATOM 95 OE1 GLN I 789 -43.713 111.033 8.573 1.00138.17 O +ATOM 96 NE2 GLN I 789 -43.342 113.246 8.411 1.00139.18 N +ATOM 97 N SER I 790 -46.053 109.506 3.578 1.00132.11 N +ATOM 98 CA SER I 790 -46.814 108.314 3.214 1.00130.73 C +ATOM 99 C SER I 790 -46.232 107.705 1.946 1.00128.88 C +ATOM 100 O SER I 790 -46.243 106.491 1.766 1.00128.53 O +ATOM 101 CB SER I 790 -48.288 108.669 2.991 1.00132.07 C +ATOM 102 OG SER I 790 -49.063 107.512 2.713 1.00133.22 O +ATOM 103 N ASN I 791 -45.737 108.558 1.060 1.00126.99 N +ATOM 104 CA ASN I 791 -45.122 108.088 -0.168 1.00125.78 C +ATOM 105 C ASN I 791 -43.728 107.546 0.166 1.00124.76 C +ATOM 106 O ASN I 791 -43.286 106.553 -0.414 1.00125.18 O +ATOM 107 CB ASN I 791 -45.010 109.234 -1.175 1.00126.48 C +ATOM 108 CG ASN I 791 -46.318 109.530 -1.863 1.00126.51 C +ATOM 109 OD1 ASN I 791 -46.426 110.485 -2.633 1.00125.79 O +ATOM 110 ND2 ASN I 791 -47.322 108.704 -1.598 1.00126.46 N +ATOM 111 N LEU I 792 -43.046 108.203 1.105 1.00122.30 N +ATOM 112 CA LEU I 792 -41.710 107.795 1.536 1.00119.49 C +ATOM 113 C LEU I 792 -41.787 106.434 2.211 1.00119.26 C +ATOM 114 O LEU I 792 -40.980 105.540 1.943 1.00119.78 O +ATOM 115 CB LEU I 792 -41.130 108.826 2.503 1.00116.69 C +ATOM 116 CG LEU I 792 -39.948 109.615 1.942 1.00114.43 C +ATOM 117 CD1 LEU I 792 -40.300 110.112 0.560 1.00112.49 C +ATOM 118 CD2 LEU I 792 -39.594 110.769 2.864 1.00113.63 C +ATOM 119 N LEU I 793 -42.764 106.285 3.094 1.00118.15 N +ATOM 120 CA LEU I 793 -42.967 105.026 3.781 1.00116.79 C +ATOM 121 C LEU I 793 -43.254 103.939 2.744 1.00116.02 C +ATOM 122 O LEU I 793 -42.748 102.828 2.859 1.00115.86 O +ATOM 123 CB LEU I 793 -44.130 105.150 4.770 1.00116.58 C +ATOM 124 CG LEU I 793 -43.766 105.200 6.257 1.00116.21 C +ATOM 125 CD1 LEU I 793 -43.173 103.861 6.677 1.00117.87 C +ATOM 126 CD2 LEU I 793 -42.783 106.316 6.525 1.00116.02 C +ATOM 127 N SER I 794 -44.059 104.260 1.731 1.00115.37 N +ATOM 128 CA SER I 794 -44.382 103.292 0.674 1.00116.05 C +ATOM 129 C SER I 794 -43.081 102.704 0.144 1.00115.24 C +ATOM 130 O SER I 794 -43.014 101.537 -0.254 1.00116.13 O +ATOM 131 CB SER I 794 -45.123 103.963 -0.496 1.00117.75 C +ATOM 132 OG SER I 794 -46.375 104.499 -0.100 1.00120.09 O +ATOM 133 N VAL I 795 -42.048 103.539 0.137 1.00113.02 N +ATOM 134 CA VAL I 795 -40.741 103.135 -0.336 1.00108.76 C +ATOM 135 C VAL I 795 -40.020 102.333 0.747 1.00105.89 C +ATOM 136 O VAL I 795 -39.802 101.137 0.575 1.00104.36 O +ATOM 137 CB VAL I 795 -39.923 104.376 -0.770 1.00108.06 C +ATOM 138 CG1 VAL I 795 -38.499 103.989 -1.114 1.00108.34 C +ATOM 139 CG2 VAL I 795 -40.579 105.005 -1.987 1.00106.06 C +ATOM 140 N ALA I 796 -39.685 102.970 1.865 1.00103.40 N +ATOM 141 CA ALA I 796 -38.986 102.284 2.955 1.00102.99 C +ATOM 142 C ALA I 796 -39.473 100.849 3.203 1.00103.00 C +ATOM 143 O ALA I 796 -38.677 99.946 3.466 1.00103.03 O +ATOM 144 CB ALA I 796 -39.101 103.093 4.235 1.00101.47 C +ATOM 145 N GLY I 797 -40.781 100.640 3.117 1.00102.98 N +ATOM 146 CA GLY I 797 -41.333 99.317 3.348 1.00101.19 C +ATOM 147 C GLY I 797 -41.213 98.368 2.171 1.00100.23 C +ATOM 148 O GLY I 797 -41.341 97.157 2.337 1.00100.68 O +ATOM 149 N ARG I 798 -40.979 98.905 0.978 1.00 98.86 N +ATOM 150 CA ARG I 798 -40.833 98.067 -0.202 1.00 96.61 C +ATOM 151 C ARG I 798 -39.360 97.671 -0.383 1.00 94.26 C +ATOM 152 O ARG I 798 -39.035 96.863 -1.244 1.00 92.52 O +ATOM 153 CB ARG I 798 -41.328 98.815 -1.435 1.00 97.90 C +ATOM 154 CG ARG I 798 -41.801 97.897 -2.541 1.00102.67 C +ATOM 155 CD ARG I 798 -43.327 97.834 -2.600 1.00106.42 C +ATOM 156 NE ARG I 798 -43.890 98.692 -3.650 1.00110.28 N +ATOM 157 CZ ARG I 798 -43.640 98.546 -4.953 1.00111.67 C +ATOM 158 NH1 ARG I 798 -42.831 97.571 -5.357 1.00112.44 N +ATOM 159 NH2 ARG I 798 -44.197 99.362 -5.854 1.00109.15 N +ATOM 160 N LEU I 799 -38.483 98.247 0.442 1.00 92.58 N +ATOM 161 CA LEU I 799 -37.041 97.985 0.394 1.00 90.20 C +ATOM 162 C LEU I 799 -36.601 96.905 1.361 1.00 89.98 C +ATOM 163 O LEU I 799 -37.050 96.862 2.503 1.00 87.96 O +ATOM 164 CB LEU I 799 -36.238 99.243 0.721 1.00 87.80 C +ATOM 165 CG LEU I 799 -36.119 100.367 -0.294 1.00 85.50 C +ATOM 166 CD1 LEU I 799 -35.200 101.417 0.280 1.00 84.54 C +ATOM 167 CD2 LEU I 799 -35.581 99.837 -1.609 1.00 86.18 C +ATOM 168 N GLY I 800 -35.679 96.066 0.895 1.00 91.17 N +ATOM 169 CA GLY I 800 -35.174 94.969 1.702 1.00 91.67 C +ATOM 170 C GLY I 800 -33.813 95.200 2.329 1.00 91.72 C +ATOM 171 O GLY I 800 -33.616 96.169 3.069 1.00 92.07 O +ATOM 172 N LEU I 801 -32.876 94.296 2.052 1.00 90.32 N +ATOM 173 CA LEU I 801 -31.533 94.413 2.592 1.00 88.91 C +ATOM 174 C LEU I 801 -30.653 95.146 1.599 1.00 89.49 C +ATOM 175 O LEU I 801 -29.489 95.450 1.887 1.00 90.36 O +ATOM 176 CB LEU I 801 -30.946 93.036 2.874 1.00 88.59 C +ATOM 177 CG LEU I 801 -31.550 92.253 4.032 1.00 88.55 C +ATOM 178 CD1 LEU I 801 -30.773 90.964 4.232 1.00 88.34 C +ATOM 179 CD2 LEU I 801 -31.499 93.103 5.285 1.00 89.54 C +ATOM 180 N ASP I 802 -31.210 95.414 0.421 1.00 88.57 N +ATOM 181 CA ASP I 802 -30.477 96.130 -0.609 1.00 87.71 C +ATOM 182 C ASP I 802 -30.570 97.613 -0.314 1.00 86.32 C +ATOM 183 O ASP I 802 -30.231 98.451 -1.135 1.00 86.67 O +ATOM 184 CB ASP I 802 -31.040 95.826 -2.007 1.00 89.25 C +ATOM 185 CG ASP I 802 -32.562 95.978 -2.093 1.00 91.31 C +ATOM 186 OD1 ASP I 802 -33.093 95.818 -3.221 1.00 90.93 O +ATOM 187 OD2 ASP I 802 -33.222 96.240 -1.056 1.00 89.72 O +ATOM 188 N TRP I 803 -31.027 97.938 0.880 1.00 85.92 N +ATOM 189 CA TRP I 803 -31.150 99.330 1.249 1.00 86.21 C +ATOM 190 C TRP I 803 -29.816 100.063 1.019 1.00 85.67 C +ATOM 191 O TRP I 803 -29.779 101.095 0.347 1.00 85.24 O +ATOM 192 CB TRP I 803 -31.644 99.446 2.718 1.00 86.31 C +ATOM 193 CG TRP I 803 -30.714 100.152 3.662 1.00 87.67 C +ATOM 194 CD1 TRP I 803 -30.069 101.350 3.461 1.00 89.46 C +ATOM 195 CD2 TRP I 803 -30.308 99.700 4.940 1.00 87.16 C +ATOM 196 NE1 TRP I 803 -29.279 101.662 4.539 1.00 88.22 N +ATOM 197 CE2 TRP I 803 -29.404 100.669 5.466 1.00 87.77 C +ATOM 198 CE3 TRP I 803 -30.612 98.575 5.699 1.00 88.59 C +ATOM 199 CZ2 TRP I 803 -28.807 100.542 6.710 1.00 88.76 C +ATOM 200 CZ3 TRP I 803 -30.019 98.444 6.942 1.00 92.98 C +ATOM 201 CH2 TRP I 803 -29.121 99.428 7.438 1.00 93.56 C +ATOM 202 N PRO I 804 -28.701 99.525 1.549 1.00 85.30 N +ATOM 203 CA PRO I 804 -27.391 100.163 1.388 1.00 84.13 C +ATOM 204 C PRO I 804 -27.029 100.466 -0.060 1.00 84.47 C +ATOM 205 O PRO I 804 -26.178 101.315 -0.334 1.00 83.07 O +ATOM 206 CB PRO I 804 -26.446 99.161 2.030 1.00 85.03 C +ATOM 207 CG PRO I 804 -27.307 98.501 3.059 1.00 84.81 C +ATOM 208 CD PRO I 804 -28.557 98.254 2.277 1.00 84.35 C +ATOM 209 N ALA I 805 -27.656 99.753 -0.989 1.00 84.32 N +ATOM 210 CA ALA I 805 -27.402 100.004 -2.395 1.00 84.57 C +ATOM 211 C ALA I 805 -28.011 101.374 -2.581 1.00 85.00 C +ATOM 212 O ALA I 805 -27.306 102.358 -2.802 1.00 86.82 O +ATOM 213 CB ALA I 805 -28.112 98.986 -3.261 1.00 83.24 C +ATOM 214 N VAL I 806 -29.329 101.433 -2.444 1.00 84.48 N +ATOM 215 CA VAL I 806 -30.057 102.684 -2.572 1.00 83.54 C +ATOM 216 C VAL I 806 -29.325 103.789 -1.813 1.00 81.89 C +ATOM 217 O VAL I 806 -29.138 104.879 -2.324 1.00 82.52 O +ATOM 218 CB VAL I 806 -31.496 102.563 -2.005 1.00 83.06 C +ATOM 219 CG1 VAL I 806 -32.303 103.775 -2.392 1.00 81.39 C +ATOM 220 CG2 VAL I 806 -32.165 101.303 -2.524 1.00 81.90 C +ATOM 221 N ALA I 807 -28.885 103.501 -0.602 1.00 80.73 N +ATOM 222 CA ALA I 807 -28.204 104.520 0.173 1.00 81.94 C +ATOM 223 C ALA I 807 -26.958 105.039 -0.513 1.00 82.31 C +ATOM 224 O ALA I 807 -26.890 106.213 -0.866 1.00 81.53 O +ATOM 225 CB ALA I 807 -27.854 103.989 1.551 1.00 83.00 C +ATOM 226 N LEU I 808 -25.973 104.163 -0.694 1.00 84.03 N +ATOM 227 CA LEU I 808 -24.709 104.538 -1.324 1.00 84.30 C +ATOM 228 C LEU I 808 -24.940 105.248 -2.644 1.00 83.99 C +ATOM 229 O LEU I 808 -24.208 106.171 -2.988 1.00 82.65 O +ATOM 230 CB LEU I 808 -23.828 103.305 -1.552 1.00 84.54 C +ATOM 231 CG LEU I 808 -23.409 102.497 -0.317 1.00 85.22 C +ATOM 232 CD1 LEU I 808 -22.535 101.339 -0.756 1.00 85.91 C +ATOM 233 CD2 LEU I 808 -22.656 103.370 0.670 1.00 84.93 C +ATOM 234 N HIS I 809 -25.964 104.820 -3.375 1.00 84.61 N +ATOM 235 CA HIS I 809 -26.282 105.426 -4.659 1.00 85.86 C +ATOM 236 C HIS I 809 -26.832 106.821 -4.549 1.00 86.22 C +ATOM 237 O HIS I 809 -26.787 107.570 -5.513 1.00 87.48 O +ATOM 238 CB HIS I 809 -27.267 104.574 -5.439 1.00 87.26 C +ATOM 239 CG HIS I 809 -26.613 103.708 -6.462 1.00 90.35 C +ATOM 240 ND1 HIS I 809 -26.550 102.337 -6.349 1.00 91.03 N +ATOM 241 CD2 HIS I 809 -25.949 104.026 -7.598 1.00 91.54 C +ATOM 242 CE1 HIS I 809 -25.876 101.847 -7.373 1.00 92.59 C +ATOM 243 NE2 HIS I 809 -25.499 102.851 -8.145 1.00 92.65 N +ATOM 244 N LEU I 810 -27.367 107.162 -3.383 1.00 86.97 N +ATOM 245 CA LEU I 810 -27.917 108.494 -3.149 1.00 86.42 C +ATOM 246 C LEU I 810 -26.825 109.367 -2.583 1.00 86.34 C +ATOM 247 O LEU I 810 -27.090 110.444 -2.068 1.00 87.05 O +ATOM 248 CB LEU I 810 -29.066 108.457 -2.139 1.00 85.45 C +ATOM 249 CG LEU I 810 -30.441 107.930 -2.548 1.00 84.88 C +ATOM 250 CD1 LEU I 810 -31.403 108.212 -1.403 1.00 84.41 C +ATOM 251 CD2 LEU I 810 -30.934 108.596 -3.827 1.00 83.94 C +ATOM 252 N GLY I 811 -25.596 108.883 -2.660 1.00 86.33 N +ATOM 253 CA GLY I 811 -24.482 109.644 -2.135 1.00 86.90 C +ATOM 254 C GLY I 811 -24.281 109.428 -0.649 1.00 87.05 C +ATOM 255 O GLY I 811 -23.344 109.970 -0.064 1.00 86.99 O +ATOM 256 N VAL I 812 -25.148 108.632 -0.034 1.00 87.59 N +ATOM 257 CA VAL I 812 -25.029 108.381 1.393 1.00 88.73 C +ATOM 258 C VAL I 812 -23.696 107.745 1.713 1.00 88.80 C +ATOM 259 O VAL I 812 -23.361 106.700 1.173 1.00 87.90 O +ATOM 260 CB VAL I 812 -26.135 107.462 1.900 1.00 89.29 C +ATOM 261 CG1 VAL I 812 -26.175 107.513 3.409 1.00 89.13 C +ATOM 262 CG2 VAL I 812 -27.466 107.886 1.321 1.00 91.04 C +ATOM 263 N SER I 813 -22.941 108.391 2.594 1.00 90.68 N +ATOM 264 CA SER I 813 -21.628 107.901 2.992 1.00 92.78 C +ATOM 265 C SER I 813 -21.731 106.475 3.460 1.00 93.04 C +ATOM 266 O SER I 813 -22.770 106.076 3.962 1.00 94.22 O +ATOM 267 CB SER I 813 -21.075 108.736 4.138 1.00 94.47 C +ATOM 268 OG SER I 813 -20.045 108.017 4.797 1.00 95.26 O +ATOM 269 N TYR I 814 -20.664 105.700 3.317 1.00 93.53 N +ATOM 270 CA TYR I 814 -20.740 104.329 3.776 1.00 94.95 C +ATOM 271 C TYR I 814 -20.578 104.254 5.293 1.00 96.77 C +ATOM 272 O TYR I 814 -21.008 103.277 5.902 1.00 98.00 O +ATOM 273 CB TYR I 814 -19.697 103.431 3.102 1.00 94.76 C +ATOM 274 CG TYR I 814 -19.899 101.975 3.460 1.00 94.81 C +ATOM 275 CD1 TYR I 814 -21.082 101.315 3.114 1.00 95.60 C +ATOM 276 CD2 TYR I 814 -18.955 101.277 4.214 1.00 94.89 C +ATOM 277 CE1 TYR I 814 -21.330 99.985 3.517 1.00 95.62 C +ATOM 278 CE2 TYR I 814 -19.191 99.946 4.627 1.00 95.57 C +ATOM 279 CZ TYR I 814 -20.382 99.307 4.273 1.00 95.50 C +ATOM 280 OH TYR I 814 -20.623 97.999 4.659 1.00 93.16 O +ATOM 281 N ARG I 815 -19.966 105.258 5.920 1.00 97.33 N +ATOM 282 CA ARG I 815 -19.834 105.194 7.372 1.00 98.49 C +ATOM 283 C ARG I 815 -21.210 105.520 7.948 1.00 98.53 C +ATOM 284 O ARG I 815 -21.504 105.188 9.094 1.00 98.95 O +ATOM 285 CB ARG I 815 -18.780 106.178 7.903 1.00100.12 C +ATOM 286 CG ARG I 815 -18.087 105.743 9.223 1.00102.26 C +ATOM 287 CD ARG I 815 -19.049 105.589 10.431 1.00107.06 C +ATOM 288 NE ARG I 815 -19.709 106.848 10.831 1.00113.33 N +ATOM 289 CZ ARG I 815 -20.539 107.003 11.875 1.00113.26 C +ATOM 290 NH1 ARG I 815 -21.081 108.196 12.133 1.00110.57 N +ATOM 291 NH2 ARG I 815 -20.825 105.977 12.669 1.00113.54 N +ATOM 292 N GLU I 816 -22.062 106.157 7.148 1.00 98.82 N +ATOM 293 CA GLU I 816 -23.413 106.484 7.602 1.00100.23 C +ATOM 294 C GLU I 816 -24.280 105.244 7.474 1.00 99.86 C +ATOM 295 O GLU I 816 -25.075 104.943 8.359 1.00100.27 O +ATOM 296 CB GLU I 816 -24.020 107.632 6.783 1.00102.75 C +ATOM 297 CG GLU I 816 -24.093 108.980 7.529 1.00105.11 C +ATOM 298 CD GLU I 816 -25.184 109.035 8.604 1.00105.51 C +ATOM 299 OE1 GLU I 816 -26.386 109.051 8.237 1.00105.97 O +ATOM 300 OE2 GLU I 816 -24.834 109.066 9.809 1.00104.60 O +ATOM 301 N VAL I 817 -24.133 104.531 6.364 1.00 99.30 N +ATOM 302 CA VAL I 817 -24.881 103.303 6.162 1.00 99.48 C +ATOM 303 C VAL I 817 -24.444 102.370 7.291 1.00100.89 C +ATOM 304 O VAL I 817 -25.254 101.647 7.865 1.00101.86 O +ATOM 305 CB VAL I 817 -24.524 102.646 4.820 1.00 98.29 C +ATOM 306 CG1 VAL I 817 -25.280 101.344 4.660 1.00 98.78 C +ATOM 307 CG2 VAL I 817 -24.845 103.581 3.687 1.00 97.90 C +ATOM 308 N GLN I 818 -23.150 102.418 7.598 1.00101.49 N +ATOM 309 CA GLN I 818 -22.517 101.612 8.642 1.00102.54 C +ATOM 310 C GLN I 818 -23.094 101.972 10.000 1.00102.20 C +ATOM 311 O GLN I 818 -23.506 101.107 10.760 1.00100.90 O +ATOM 312 CB GLN I 818 -21.010 101.896 8.651 1.00105.15 C +ATOM 313 CG GLN I 818 -20.120 100.837 9.289 1.00108.11 C +ATOM 314 CD GLN I 818 -19.352 100.018 8.251 1.00110.49 C +ATOM 315 OE1 GLN I 818 -19.948 99.267 7.473 1.00112.02 O +ATOM 316 NE2 GLN I 818 -18.026 100.167 8.232 1.00109.91 N +ATOM 317 N ARG I 819 -23.103 103.267 10.292 1.00104.35 N +ATOM 318 CA ARG I 819 -23.614 103.806 11.554 1.00106.72 C +ATOM 319 C ARG I 819 -25.109 103.509 11.729 1.00106.38 C +ATOM 320 O ARG I 819 -25.523 102.950 12.746 1.00105.26 O +ATOM 321 CB ARG I 819 -23.370 105.325 11.597 1.00108.94 C +ATOM 322 CG ARG I 819 -23.896 106.032 12.843 1.00111.55 C +ATOM 323 CD ARG I 819 -24.423 107.428 12.503 1.00112.98 C +ATOM 324 NE ARG I 819 -25.623 107.738 13.282 1.00114.56 N +ATOM 325 CZ ARG I 819 -26.760 108.207 12.767 1.00115.69 C +ATOM 326 NH1 ARG I 819 -26.868 108.433 11.461 1.00114.93 N +ATOM 327 NH2 ARG I 819 -27.800 108.438 13.560 1.00116.34 N +ATOM 328 N ILE I 820 -25.910 103.899 10.739 1.00106.12 N +ATOM 329 CA ILE I 820 -27.345 103.665 10.779 1.00106.05 C +ATOM 330 C ILE I 820 -27.596 102.205 11.085 1.00107.54 C +ATOM 331 O ILE I 820 -28.285 101.878 12.046 1.00108.12 O +ATOM 332 CB ILE I 820 -28.017 103.988 9.438 1.00105.31 C +ATOM 333 CG1 ILE I 820 -27.955 105.491 9.177 1.00106.45 C +ATOM 334 CG2 ILE I 820 -29.458 103.498 9.445 1.00103.05 C +ATOM 335 CD1 ILE I 820 -28.550 105.921 7.836 1.00107.75 C +ATOM 336 N ARG I 821 -27.030 101.325 10.268 1.00108.93 N +ATOM 337 CA ARG I 821 -27.218 99.898 10.475 1.00110.36 C +ATOM 338 C ARG I 821 -27.006 99.548 11.943 1.00112.91 C +ATOM 339 O ARG I 821 -27.921 99.062 12.596 1.00115.08 O +ATOM 340 CB ARG I 821 -26.254 99.074 9.613 1.00107.99 C +ATOM 341 CG ARG I 821 -26.829 97.737 9.123 1.00104.18 C +ATOM 342 CD ARG I 821 -25.784 96.639 9.138 1.00102.06 C +ATOM 343 NE ARG I 821 -24.493 97.098 8.638 1.00100.59 N +ATOM 344 CZ ARG I 821 -24.167 97.204 7.354 1.00101.43 C +ATOM 345 NH1 ARG I 821 -25.034 96.877 6.397 1.00101.43 N +ATOM 346 NH2 ARG I 821 -22.966 97.659 7.027 1.00101.91 N +ATOM 347 N HIS I 822 -25.820 99.813 12.478 1.00114.83 N +ATOM 348 CA HIS I 822 -25.556 99.474 13.874 1.00117.66 C +ATOM 349 C HIS I 822 -26.459 100.129 14.907 1.00118.72 C +ATOM 350 O HIS I 822 -26.870 99.493 15.875 1.00119.27 O +ATOM 351 CB HIS I 822 -24.123 99.805 14.266 1.00119.35 C +ATOM 352 CG HIS I 822 -23.861 99.611 15.725 1.00121.87 C +ATOM 353 ND1 HIS I 822 -23.805 98.363 16.310 1.00123.17 N +ATOM 354 CD2 HIS I 822 -23.708 100.506 16.730 1.00122.95 C +ATOM 355 CE1 HIS I 822 -23.628 98.497 17.612 1.00124.00 C +ATOM 356 NE2 HIS I 822 -23.567 99.788 17.893 1.00124.26 N +ATOM 357 N GLU I 823 -26.747 101.406 14.709 1.00120.09 N +ATOM 358 CA GLU I 823 -27.563 102.162 15.642 1.00120.99 C +ATOM 359 C GLU I 823 -29.033 101.733 15.657 1.00120.62 C +ATOM 360 O GLU I 823 -29.869 102.379 16.277 1.00120.47 O +ATOM 361 CB GLU I 823 -27.421 103.646 15.305 1.00123.15 C +ATOM 362 CG GLU I 823 -27.635 104.590 16.466 1.00125.28 C +ATOM 363 CD GLU I 823 -28.995 105.234 16.419 1.00127.19 C +ATOM 364 OE1 GLU I 823 -29.299 105.894 15.396 1.00127.29 O +ATOM 365 OE2 GLU I 823 -29.754 105.080 17.401 1.00127.79 O +ATOM 366 N PHE I 824 -29.336 100.632 14.979 1.00120.76 N +ATOM 367 CA PHE I 824 -30.692 100.088 14.906 1.00120.98 C +ATOM 368 C PHE I 824 -30.612 98.643 14.423 1.00120.79 C +ATOM 369 O PHE I 824 -31.581 98.104 13.890 1.00120.16 O +ATOM 370 CB PHE I 824 -31.546 100.863 13.900 1.00121.71 C +ATOM 371 CG PHE I 824 -31.833 102.286 14.287 1.00123.19 C +ATOM 372 CD1 PHE I 824 -31.052 103.327 13.794 1.00124.01 C +ATOM 373 CD2 PHE I 824 -32.932 102.595 15.082 1.00123.71 C +ATOM 374 CE1 PHE I 824 -31.369 104.660 14.076 1.00123.78 C +ATOM 375 CE2 PHE I 824 -33.256 103.924 15.370 1.00124.42 C +ATOM 376 CZ PHE I 824 -32.473 104.958 14.862 1.00124.51 C +ATOM 377 N ARG I 825 -29.451 98.026 14.613 1.00121.12 N +ATOM 378 CA ARG I 825 -29.187 96.660 14.162 1.00121.40 C +ATOM 379 C ARG I 825 -30.287 95.626 14.350 1.00120.37 C +ATOM 380 O ARG I 825 -30.539 94.815 13.463 1.00119.45 O +ATOM 381 CB ARG I 825 -27.883 96.154 14.791 1.00122.98 C +ATOM 382 CG ARG I 825 -27.786 96.318 16.295 1.00124.82 C +ATOM 383 CD ARG I 825 -26.346 96.109 16.755 1.00126.94 C +ATOM 384 NE ARG I 825 -26.225 96.041 18.209 1.00128.42 N +ATOM 385 CZ ARG I 825 -26.553 97.025 19.039 1.00128.73 C +ATOM 386 NH1 ARG I 825 -27.030 98.172 18.570 1.00128.74 N +ATOM 387 NH2 ARG I 825 -26.404 96.859 20.345 1.00129.38 N +ATOM 388 N ASP I 826 -30.942 95.649 15.500 1.00120.48 N +ATOM 389 CA ASP I 826 -32.011 94.697 15.771 1.00119.34 C +ATOM 390 C ASP I 826 -33.308 94.963 14.991 1.00116.38 C +ATOM 391 O ASP I 826 -34.126 94.060 14.817 1.00114.94 O +ATOM 392 CB ASP I 826 -32.290 94.629 17.294 1.00122.32 C +ATOM 393 CG ASP I 826 -32.209 96.005 18.002 1.00125.27 C +ATOM 394 OD1 ASP I 826 -32.420 96.038 19.240 1.00125.61 O +ATOM 395 OD2 ASP I 826 -31.937 97.044 17.350 1.00126.80 O +ATOM 396 N ASP I 827 -33.478 96.188 14.497 1.00113.93 N +ATOM 397 CA ASP I 827 -34.687 96.555 13.763 1.00111.95 C +ATOM 398 C ASP I 827 -34.439 97.002 12.324 1.00109.11 C +ATOM 399 O ASP I 827 -34.287 98.192 12.051 1.00108.17 O +ATOM 400 CB ASP I 827 -35.422 97.664 14.513 1.00114.30 C +ATOM 401 CG ASP I 827 -36.803 97.939 13.945 1.00116.85 C +ATOM 402 OD1 ASP I 827 -37.505 98.817 14.502 1.00119.13 O +ATOM 403 OD2 ASP I 827 -37.188 97.281 12.948 1.00116.70 O +ATOM 404 N LEU I 828 -34.431 96.048 11.402 1.00106.27 N +ATOM 405 CA LEU I 828 -34.185 96.356 10.002 1.00104.33 C +ATOM 406 C LEU I 828 -35.036 97.493 9.477 1.00104.64 C +ATOM 407 O LEU I 828 -34.532 98.384 8.809 1.00106.17 O +ATOM 408 CB LEU I 828 -34.409 95.122 9.125 1.00102.77 C +ATOM 409 CG LEU I 828 -34.324 95.396 7.619 1.00100.32 C +ATOM 410 CD1 LEU I 828 -32.962 95.962 7.306 1.00100.20 C +ATOM 411 CD2 LEU I 828 -34.567 94.131 6.820 1.00 98.99 C +ATOM 412 N ASP I 829 -36.326 97.466 9.780 1.00104.86 N +ATOM 413 CA ASP I 829 -37.240 98.492 9.302 1.00105.31 C +ATOM 414 C ASP I 829 -36.974 99.903 9.766 1.00106.05 C +ATOM 415 O ASP I 829 -37.390 100.850 9.097 1.00105.66 O +ATOM 416 CB ASP I 829 -38.670 98.132 9.662 1.00105.45 C +ATOM 417 CG ASP I 829 -39.349 97.383 8.570 1.00106.35 C +ATOM 418 OD1 ASP I 829 -39.414 97.940 7.452 1.00105.72 O +ATOM 419 OD2 ASP I 829 -39.808 96.247 8.825 1.00107.39 O +ATOM 420 N GLU I 830 -36.300 100.048 10.907 1.00106.56 N +ATOM 421 CA GLU I 830 -36.003 101.370 11.445 1.00106.88 C +ATOM 422 C GLU I 830 -34.812 101.933 10.709 1.00105.98 C +ATOM 423 O GLU I 830 -34.634 103.143 10.632 1.00107.10 O +ATOM 424 CB GLU I 830 -35.703 101.304 12.938 1.00109.38 C +ATOM 425 CG GLU I 830 -35.755 102.664 13.622 1.00114.93 C +ATOM 426 CD GLU I 830 -37.139 103.310 13.573 1.00118.22 C +ATOM 427 OE1 GLU I 830 -38.093 102.728 14.143 1.00119.82 O +ATOM 428 OE2 GLU I 830 -37.269 104.402 12.969 1.00119.15 O +ATOM 429 N GLN I 831 -33.993 101.042 10.170 1.00104.59 N +ATOM 430 CA GLN I 831 -32.836 101.455 9.398 1.00103.53 C +ATOM 431 C GLN I 831 -33.301 102.059 8.082 1.00103.72 C +ATOM 432 O GLN I 831 -33.013 103.213 7.797 1.00103.79 O +ATOM 433 CB GLN I 831 -31.947 100.262 9.113 1.00102.41 C +ATOM 434 CG GLN I 831 -31.193 99.764 10.313 1.00102.36 C +ATOM 435 CD GLN I 831 -30.642 98.381 10.079 1.00102.50 C +ATOM 436 OE1 GLN I 831 -29.700 97.957 10.739 1.00103.38 O +ATOM 437 NE2 GLN I 831 -31.241 97.660 9.137 1.00101.22 N +ATOM 438 N ILE I 832 -34.030 101.280 7.285 1.00104.57 N +ATOM 439 CA ILE I 832 -34.521 101.759 5.998 1.00105.38 C +ATOM 440 C ILE I 832 -35.243 103.082 6.118 1.00107.11 C +ATOM 441 O ILE I 832 -35.266 103.861 5.171 1.00107.56 O +ATOM 442 CB ILE I 832 -35.502 100.790 5.347 1.00104.81 C +ATOM 443 CG1 ILE I 832 -34.844 99.429 5.142 1.00106.12 C +ATOM 444 CG2 ILE I 832 -35.947 101.352 4.011 1.00104.14 C +ATOM 445 CD1 ILE I 832 -35.770 98.381 4.526 1.00106.30 C +ATOM 446 N ARG I 833 -35.854 103.335 7.269 1.00109.40 N +ATOM 447 CA ARG I 833 -36.560 104.591 7.449 1.00111.31 C +ATOM 448 C ARG I 833 -35.620 105.710 7.887 1.00111.43 C +ATOM 449 O ARG I 833 -35.623 106.781 7.290 1.00112.31 O +ATOM 450 CB ARG I 833 -37.739 104.428 8.426 1.00113.05 C +ATOM 451 CG ARG I 833 -39.005 103.853 7.747 1.00115.58 C +ATOM 452 CD ARG I 833 -40.296 103.916 8.604 1.00117.86 C +ATOM 453 NE ARG I 833 -40.292 103.000 9.748 1.00119.63 N +ATOM 454 CZ ARG I 833 -39.843 103.306 10.965 1.00120.48 C +ATOM 455 NH1 ARG I 833 -39.361 104.518 11.224 1.00119.84 N +ATOM 456 NH2 ARG I 833 -39.852 102.385 11.922 1.00120.43 N +ATOM 457 N HIS I 834 -34.797 105.475 8.901 1.00111.13 N +ATOM 458 CA HIS I 834 -33.878 106.518 9.335 1.00111.35 C +ATOM 459 C HIS I 834 -32.972 106.993 8.182 1.00109.94 C +ATOM 460 O HIS I 834 -32.694 108.183 8.058 1.00110.30 O +ATOM 461 CB HIS I 834 -33.031 106.018 10.506 1.00115.37 C +ATOM 462 CG HIS I 834 -32.002 107.003 10.974 1.00121.58 C +ATOM 463 ND1 HIS I 834 -31.056 107.553 10.132 1.00123.56 N +ATOM 464 CD2 HIS I 834 -31.756 107.522 12.203 1.00124.25 C +ATOM 465 CE1 HIS I 834 -30.271 108.366 10.820 1.00124.61 C +ATOM 466 NE2 HIS I 834 -30.675 108.365 12.080 1.00125.68 N +ATOM 467 N MET I 835 -32.524 106.070 7.334 1.00108.14 N +ATOM 468 CA MET I 835 -31.652 106.409 6.201 1.00105.45 C +ATOM 469 C MET I 835 -32.380 107.247 5.163 1.00105.58 C +ATOM 470 O MET I 835 -31.898 108.304 4.765 1.00105.56 O +ATOM 471 CB MET I 835 -31.110 105.124 5.548 1.00103.44 C +ATOM 472 CG MET I 835 -30.261 105.274 4.272 1.00100.23 C +ATOM 473 SD MET I 835 -31.176 105.661 2.732 1.00100.96 S +ATOM 474 CE MET I 835 -32.033 104.128 2.326 1.00 98.31 C +ATOM 475 N LEU I 836 -33.550 106.775 4.743 1.00106.45 N +ATOM 476 CA LEU I 836 -34.359 107.447 3.729 1.00107.13 C +ATOM 477 C LEU I 836 -34.917 108.820 4.111 1.00108.61 C +ATOM 478 O LEU I 836 -35.039 109.694 3.261 1.00108.23 O +ATOM 479 CB LEU I 836 -35.507 106.540 3.319 1.00105.74 C +ATOM 480 CG LEU I 836 -35.940 106.764 1.883 1.00106.63 C +ATOM 481 CD1 LEU I 836 -34.750 106.537 0.958 1.00106.69 C +ATOM 482 CD2 LEU I 836 -37.068 105.818 1.544 1.00107.66 C +ATOM 483 N PHE I 837 -35.264 109.011 5.381 1.00110.79 N +ATOM 484 CA PHE I 837 -35.797 110.292 5.838 1.00112.35 C +ATOM 485 C PHE I 837 -34.681 111.271 6.173 1.00112.90 C +ATOM 486 O PHE I 837 -34.808 112.463 5.894 1.00114.22 O +ATOM 487 CB PHE I 837 -36.712 110.095 7.052 1.00113.93 C +ATOM 488 CG PHE I 837 -38.097 109.609 6.696 1.00116.27 C +ATOM 489 CD1 PHE I 837 -38.309 108.814 5.567 1.00117.33 C +ATOM 490 CD2 PHE I 837 -39.187 109.919 7.499 1.00116.26 C +ATOM 491 CE1 PHE I 837 -39.582 108.337 5.248 1.00116.60 C +ATOM 492 CE2 PHE I 837 -40.462 109.443 7.183 1.00116.40 C +ATOM 493 CZ PHE I 837 -40.654 108.651 6.054 1.00116.04 C +ATOM 494 N SER I 838 -33.597 110.776 6.774 1.00112.50 N +ATOM 495 CA SER I 838 -32.451 111.629 7.108 1.00112.09 C +ATOM 496 C SER I 838 -31.961 112.308 5.832 1.00111.61 C +ATOM 497 O SER I 838 -31.552 113.472 5.840 1.00111.54 O +ATOM 498 CB SER I 838 -31.299 110.800 7.692 1.00111.90 C +ATOM 499 OG SER I 838 -31.466 110.583 9.077 1.00112.06 O +ATOM 500 N TRP I 839 -32.008 111.552 4.740 1.00110.16 N +ATOM 501 CA TRP I 839 -31.577 112.019 3.437 1.00108.04 C +ATOM 502 C TRP I 839 -32.624 112.894 2.782 1.00109.40 C +ATOM 503 O TRP I 839 -32.286 113.867 2.119 1.00110.15 O +ATOM 504 CB TRP I 839 -31.293 110.830 2.535 1.00103.99 C +ATOM 505 CG TRP I 839 -31.109 111.216 1.118 1.00 99.13 C +ATOM 506 CD1 TRP I 839 -29.943 111.557 0.508 1.00 98.97 C +ATOM 507 CD2 TRP I 839 -32.128 111.315 0.125 1.00 95.35 C +ATOM 508 NE1 TRP I 839 -30.171 111.859 -0.811 1.00 96.66 N +ATOM 509 CE2 TRP I 839 -31.506 111.718 -1.071 1.00 94.74 C +ATOM 510 CE3 TRP I 839 -33.505 111.100 0.131 1.00 93.47 C +ATOM 511 CZ2 TRP I 839 -32.213 111.911 -2.252 1.00 94.25 C +ATOM 512 CZ3 TRP I 839 -34.208 111.289 -1.041 1.00 93.94 C +ATOM 513 CH2 TRP I 839 -33.562 111.691 -2.220 1.00 94.49 C +ATOM 514 N ALA I 840 -33.893 112.536 2.947 1.00111.24 N +ATOM 515 CA ALA I 840 -34.986 113.310 2.360 1.00113.20 C +ATOM 516 C ALA I 840 -34.981 114.744 2.900 1.00114.58 C +ATOM 517 O ALA I 840 -35.457 115.677 2.236 1.00113.31 O +ATOM 518 CB ALA I 840 -36.316 112.639 2.662 1.00113.63 C +ATOM 519 N GLU I 841 -34.435 114.896 4.108 1.00116.32 N +ATOM 520 CA GLU I 841 -34.324 116.187 4.781 1.00117.80 C +ATOM 521 C GLU I 841 -33.188 117.022 4.219 1.00118.29 C +ATOM 522 O GLU I 841 -33.396 118.172 3.840 1.00118.79 O +ATOM 523 CB GLU I 841 -34.089 115.996 6.275 1.00118.60 C +ATOM 524 CG GLU I 841 -35.345 115.794 7.090 1.00120.64 C +ATOM 525 CD GLU I 841 -35.045 115.763 8.573 1.00121.64 C +ATOM 526 OE1 GLU I 841 -34.239 116.608 9.027 1.00121.21 O +ATOM 527 OE2 GLU I 841 -35.615 114.902 9.280 1.00122.12 O +ATOM 528 N ARG I 842 -31.987 116.445 4.183 1.00118.61 N +ATOM 529 CA ARG I 842 -30.815 117.136 3.657 1.00119.42 C +ATOM 530 C ARG I 842 -31.186 117.785 2.334 1.00120.16 C +ATOM 531 O ARG I 842 -30.580 118.772 1.927 1.00121.85 O +ATOM 532 CB ARG I 842 -29.658 116.156 3.425 1.00120.13 C +ATOM 533 CG ARG I 842 -29.076 115.535 4.682 1.00120.39 C +ATOM 534 CD ARG I 842 -28.263 114.301 4.338 1.00120.36 C +ATOM 535 NE ARG I 842 -28.347 113.311 5.409 1.00120.99 N +ATOM 536 CZ ARG I 842 -28.433 111.999 5.208 1.00121.53 C +ATOM 537 NH1 ARG I 842 -28.447 111.518 3.968 1.00121.02 N +ATOM 538 NH2 ARG I 842 -28.518 111.169 6.246 1.00121.03 N +ATOM 539 N GLN I 843 -32.184 117.218 1.666 1.00120.15 N +ATOM 540 CA GLN I 843 -32.656 117.735 0.389 1.00120.78 C +ATOM 541 C GLN I 843 -33.812 118.706 0.619 1.00122.23 C +ATOM 542 O GLN I 843 -34.775 118.729 -0.153 1.00123.19 O +ATOM 543 CB GLN I 843 -33.124 116.578 -0.497 1.00120.39 C +ATOM 544 CG GLN I 843 -32.280 116.312 -1.742 1.00116.57 C +ATOM 545 CD GLN I 843 -30.817 116.144 -1.437 1.00113.58 C +ATOM 546 OE1 GLN I 843 -30.446 115.575 -0.417 1.00111.18 O +ATOM 547 NE2 GLN I 843 -29.974 116.629 -2.331 1.00113.38 N +ATOM 548 N ALA I 844 -33.709 119.494 1.689 1.00123.30 N +ATOM 549 CA ALA I 844 -34.719 120.487 2.058 1.00123.67 C +ATOM 550 C ALA I 844 -35.361 121.106 0.812 1.00124.19 C +ATOM 551 O ALA I 844 -36.448 120.692 0.383 1.00123.74 O +ATOM 552 CB ALA I 844 -34.076 121.583 2.925 1.00122.44 C +ATOM 553 N GLY I 845 -34.693 122.105 0.240 1.00123.80 N +ATOM 554 CA GLY I 845 -35.218 122.722 -0.958 1.00123.91 C +ATOM 555 C GLY I 845 -34.895 121.763 -2.080 1.00124.70 C +ATOM 556 O GLY I 845 -35.560 120.742 -2.244 1.00124.78 O +ATOM 557 N GLN I 846 -33.858 122.103 -2.839 1.00125.83 N +ATOM 558 CA GLN I 846 -33.352 121.304 -3.950 1.00126.07 C +ATOM 559 C GLN I 846 -34.306 120.905 -5.069 1.00126.53 C +ATOM 560 O GLN I 846 -35.449 120.523 -4.834 1.00126.18 O +ATOM 561 CB GLN I 846 -32.661 120.063 -3.397 1.00126.84 C +ATOM 562 CG GLN I 846 -31.560 120.407 -2.410 1.00127.39 C +ATOM 563 CD GLN I 846 -30.863 121.708 -2.762 1.00127.02 C +ATOM 564 OE1 GLN I 846 -30.505 121.944 -3.915 1.00125.85 O +ATOM 565 NE2 GLN I 846 -30.666 122.560 -1.766 1.00127.78 N +ATOM 566 N PRO I 847 -33.815 120.967 -6.316 1.00127.63 N +ATOM 567 CA PRO I 847 -34.514 120.647 -7.564 1.00128.66 C +ATOM 568 C PRO I 847 -35.108 119.245 -7.653 1.00129.36 C +ATOM 569 O PRO I 847 -35.938 118.866 -6.824 1.00130.39 O +ATOM 570 CB PRO I 847 -33.441 120.885 -8.621 1.00128.47 C +ATOM 571 CG PRO I 847 -32.202 120.498 -7.905 1.00128.52 C +ATOM 572 CD PRO I 847 -32.387 121.198 -6.585 1.00128.07 C +ATOM 573 N GLY I 848 -34.678 118.491 -8.666 1.00128.96 N +ATOM 574 CA GLY I 848 -35.180 117.140 -8.881 1.00128.18 C +ATOM 575 C GLY I 848 -34.663 116.091 -7.912 1.00127.15 C +ATOM 576 O GLY I 848 -34.261 114.997 -8.319 1.00126.78 O +ATOM 577 N ALA I 849 -34.675 116.430 -6.626 1.00125.77 N +ATOM 578 CA ALA I 849 -34.221 115.530 -5.578 1.00123.88 C +ATOM 579 C ALA I 849 -35.087 114.279 -5.584 1.00122.71 C +ATOM 580 O ALA I 849 -34.748 113.269 -4.966 1.00122.96 O +ATOM 581 CB ALA I 849 -34.303 116.223 -4.229 1.00123.98 C +ATOM 582 N VAL I 850 -36.220 114.358 -6.272 1.00120.60 N +ATOM 583 CA VAL I 850 -37.110 113.218 -6.376 1.00119.67 C +ATOM 584 C VAL I 850 -36.579 112.351 -7.510 1.00119.62 C +ATOM 585 O VAL I 850 -36.685 111.120 -7.484 1.00120.15 O +ATOM 586 CB VAL I 850 -38.548 113.661 -6.673 1.00118.94 C +ATOM 587 CG1 VAL I 850 -39.379 112.484 -7.151 1.00119.07 C +ATOM 588 CG2 VAL I 850 -39.163 114.233 -5.419 1.00118.91 C +ATOM 589 N GLY I 851 -35.993 113.002 -8.506 1.00118.74 N +ATOM 590 CA GLY I 851 -35.427 112.263 -9.613 1.00117.30 C +ATOM 591 C GLY I 851 -34.255 111.449 -9.098 1.00116.36 C +ATOM 592 O GLY I 851 -33.963 110.377 -9.626 1.00116.92 O +ATOM 593 N LEU I 852 -33.584 111.960 -8.065 1.00114.27 N +ATOM 594 CA LEU I 852 -32.443 111.274 -7.471 1.00112.14 C +ATOM 595 C LEU I 852 -32.886 109.981 -6.817 1.00111.02 C +ATOM 596 O LEU I 852 -32.213 108.956 -6.924 1.00110.76 O +ATOM 597 CB LEU I 852 -31.773 112.158 -6.423 1.00112.37 C +ATOM 598 CG LEU I 852 -31.048 113.392 -6.945 1.00112.03 C +ATOM 599 CD1 LEU I 852 -30.270 114.047 -5.807 1.00110.42 C +ATOM 600 CD2 LEU I 852 -30.112 112.976 -8.075 1.00111.64 C +ATOM 601 N LEU I 853 -34.017 110.039 -6.126 1.00109.62 N +ATOM 602 CA LEU I 853 -34.557 108.864 -5.465 1.00108.64 C +ATOM 603 C LEU I 853 -34.878 107.830 -6.534 1.00108.17 C +ATOM 604 O LEU I 853 -34.542 106.655 -6.402 1.00108.85 O +ATOM 605 CB LEU I 853 -35.835 109.217 -4.711 1.00107.86 C +ATOM 606 CG LEU I 853 -36.419 108.103 -3.844 1.00106.90 C +ATOM 607 CD1 LEU I 853 -35.605 107.994 -2.566 1.00106.82 C +ATOM 608 CD2 LEU I 853 -37.864 108.402 -3.513 1.00105.18 C +ATOM 609 N VAL I 854 -35.525 108.280 -7.600 1.00106.62 N +ATOM 610 CA VAL I 854 -35.898 107.395 -8.690 1.00107.34 C +ATOM 611 C VAL I 854 -34.695 106.784 -9.414 1.00108.23 C +ATOM 612 O VAL I 854 -34.695 105.593 -9.732 1.00109.07 O +ATOM 613 CB VAL I 854 -36.788 108.143 -9.714 1.00107.15 C +ATOM 614 CG1 VAL I 854 -37.200 107.217 -10.860 1.00105.98 C +ATOM 615 CG2 VAL I 854 -38.014 108.677 -9.012 1.00108.46 C +ATOM 616 N GLN I 855 -33.670 107.591 -9.675 1.00108.77 N +ATOM 617 CA GLN I 855 -32.484 107.105 -10.379 1.00107.79 C +ATOM 618 C GLN I 855 -31.709 106.140 -9.484 1.00106.09 C +ATOM 619 O GLN I 855 -31.142 105.165 -9.967 1.00105.67 O +ATOM 620 CB GLN I 855 -31.598 108.287 -10.800 1.00109.51 C +ATOM 621 CG GLN I 855 -30.546 107.969 -11.862 1.00112.50 C +ATOM 622 CD GLN I 855 -29.536 109.102 -12.049 1.00114.97 C +ATOM 623 OE1 GLN I 855 -28.577 108.982 -12.816 1.00115.84 O +ATOM 624 NE2 GLN I 855 -29.748 110.206 -11.341 1.00116.95 N +ATOM 625 N ALA I 856 -31.692 106.406 -8.180 1.00103.84 N +ATOM 626 CA ALA I 856 -30.997 105.526 -7.251 1.00103.27 C +ATOM 627 C ALA I 856 -31.695 104.174 -7.295 1.00103.55 C +ATOM 628 O ALA I 856 -31.104 103.171 -7.693 1.00104.27 O +ATOM 629 CB ALA I 856 -31.041 106.093 -5.847 1.00102.18 C +ATOM 630 N LEU I 857 -32.960 104.149 -6.891 1.00102.93 N +ATOM 631 CA LEU I 857 -33.730 102.913 -6.917 1.00102.29 C +ATOM 632 C LEU I 857 -33.521 102.175 -8.240 1.00102.39 C +ATOM 633 O LEU I 857 -33.678 100.962 -8.314 1.00103.51 O +ATOM 634 CB LEU I 857 -35.229 103.200 -6.761 1.00100.50 C +ATOM 635 CG LEU I 857 -35.781 103.748 -5.449 1.00 99.23 C +ATOM 636 CD1 LEU I 857 -37.274 103.791 -5.558 1.00 99.29 C +ATOM 637 CD2 LEU I 857 -35.397 102.867 -4.285 1.00 99.94 C +ATOM 638 N GLU I 858 -33.160 102.911 -9.282 1.00102.09 N +ATOM 639 CA GLU I 858 -32.982 102.328 -10.602 1.00101.68 C +ATOM 640 C GLU I 858 -31.656 101.626 -10.802 1.00 99.77 C +ATOM 641 O GLU I 858 -31.593 100.609 -11.495 1.00 98.95 O +ATOM 642 CB GLU I 858 -33.145 103.414 -11.650 1.00105.90 C +ATOM 643 CG GLU I 858 -33.568 102.911 -13.003 1.00110.88 C +ATOM 644 CD GLU I 858 -34.392 103.954 -13.729 1.00114.36 C +ATOM 645 OE1 GLU I 858 -35.422 104.389 -13.156 1.00115.48 O +ATOM 646 OE2 GLU I 858 -34.012 104.342 -14.860 1.00116.09 O +ATOM 647 N GLN I 859 -30.596 102.181 -10.220 1.00 97.75 N +ATOM 648 CA GLN I 859 -29.277 101.576 -10.329 1.00 95.59 C +ATOM 649 C GLN I 859 -29.048 100.682 -9.136 1.00 94.43 C +ATOM 650 O GLN I 859 -27.951 100.181 -8.911 1.00 93.83 O +ATOM 651 CB GLN I 859 -28.183 102.631 -10.400 1.00 96.60 C +ATOM 652 CG GLN I 859 -28.633 104.044 -10.171 1.00 97.93 C +ATOM 653 CD GLN I 859 -27.658 105.026 -10.771 1.00 99.06 C +ATOM 654 OE1 GLN I 859 -27.431 105.011 -11.984 1.00 99.39 O +ATOM 655 NE2 GLN I 859 -27.064 105.878 -9.934 1.00 99.18 N +ATOM 656 N SER I 860 -30.104 100.511 -8.355 1.00 93.92 N +ATOM 657 CA SER I 860 -30.074 99.641 -7.199 1.00 93.04 C +ATOM 658 C SER I 860 -30.911 98.441 -7.627 1.00 92.90 C +ATOM 659 O SER I 860 -31.466 97.725 -6.814 1.00 91.44 O +ATOM 660 CB SER I 860 -30.684 100.348 -5.982 1.00 93.12 C +ATOM 661 OG SER I 860 -29.769 101.265 -5.390 1.00 89.71 O +ATOM 662 N ASP I 861 -30.983 98.254 -8.940 1.00 95.66 N +ATOM 663 CA ASP I 861 -31.726 97.172 -9.578 1.00 99.24 C +ATOM 664 C ASP I 861 -33.182 97.015 -9.148 1.00100.87 C +ATOM 665 O ASP I 861 -33.732 95.912 -9.185 1.00101.01 O +ATOM 666 CB ASP I 861 -30.994 95.843 -9.386 1.00101.17 C +ATOM 667 CG ASP I 861 -30.346 95.346 -10.670 1.00103.20 C +ATOM 668 OD1 ASP I 861 -31.004 95.439 -11.731 1.00103.86 O +ATOM 669 OD2 ASP I 861 -29.193 94.855 -10.621 1.00103.76 O +ATOM 670 N ARG I 862 -33.812 98.123 -8.769 1.00102.84 N +ATOM 671 CA ARG I 862 -35.201 98.098 -8.333 1.00104.25 C +ATOM 672 C ARG I 862 -36.127 99.018 -9.138 1.00106.17 C +ATOM 673 O ARG I 862 -36.696 99.970 -8.595 1.00106.30 O +ATOM 674 CB ARG I 862 -35.274 98.458 -6.851 1.00103.52 C +ATOM 675 CG ARG I 862 -34.342 97.631 -5.989 1.00103.91 C +ATOM 676 CD ARG I 862 -34.872 96.217 -5.719 1.00104.29 C +ATOM 677 NE ARG I 862 -35.689 96.179 -4.506 1.00102.45 N +ATOM 678 CZ ARG I 862 -37.007 96.337 -4.481 1.00100.40 C +ATOM 679 NH1 ARG I 862 -37.675 96.532 -5.608 1.00 99.68 N +ATOM 680 NH2 ARG I 862 -37.648 96.331 -3.323 1.00 98.26 N +ATOM 681 N GLN I 863 -36.260 98.734 -10.436 1.00108.22 N +ATOM 682 CA GLN I 863 -37.161 99.478 -11.321 1.00109.85 C +ATOM 683 C GLN I 863 -38.461 99.379 -10.545 1.00111.40 C +ATOM 684 O GLN I 863 -39.305 100.270 -10.540 1.00111.28 O +ATOM 685 CB GLN I 863 -37.320 98.731 -12.638 1.00110.30 C +ATOM 686 CG GLN I 863 -37.897 99.559 -13.735 1.00112.18 C +ATOM 687 CD GLN I 863 -36.891 100.547 -14.248 1.00114.38 C +ATOM 688 OE1 GLN I 863 -37.241 101.499 -14.943 1.00116.11 O +ATOM 689 NE2 GLN I 863 -35.619 100.324 -13.915 1.00114.29 N +ATOM 690 N ASP I 864 -38.568 98.226 -9.899 1.00114.05 N +ATOM 691 CA ASP I 864 -39.649 97.820 -9.023 1.00115.18 C +ATOM 692 C ASP I 864 -40.263 99.060 -8.380 1.00114.57 C +ATOM 693 O ASP I 864 -41.335 99.523 -8.765 1.00114.04 O +ATOM 694 CB ASP I 864 -39.037 96.921 -7.938 1.00117.33 C +ATOM 695 CG ASP I 864 -40.000 95.883 -7.398 1.00120.68 C +ATOM 696 OD1 ASP I 864 -40.401 94.979 -8.171 1.00121.45 O +ATOM 697 OD2 ASP I 864 -40.344 95.965 -6.192 1.00122.25 O +ATOM 698 N VAL I 865 -39.555 99.596 -7.398 1.00113.75 N +ATOM 699 CA VAL I 865 -40.022 100.758 -6.677 1.00113.73 C +ATOM 700 C VAL I 865 -39.883 102.033 -7.476 1.00114.21 C +ATOM 701 O VAL I 865 -40.588 103.000 -7.212 1.00114.33 O +ATOM 702 CB VAL I 865 -39.263 100.906 -5.360 1.00113.92 C +ATOM 703 CG1 VAL I 865 -39.848 102.037 -4.536 1.00114.22 C +ATOM 704 CG2 VAL I 865 -39.332 99.604 -4.597 1.00114.57 C +ATOM 705 N ALA I 866 -38.976 102.048 -8.447 1.00115.17 N +ATOM 706 CA ALA I 866 -38.785 103.243 -9.264 1.00115.82 C +ATOM 707 C ALA I 866 -40.088 103.637 -9.956 1.00116.67 C +ATOM 708 O ALA I 866 -40.539 104.776 -9.829 1.00116.42 O +ATOM 709 CB ALA I 866 -37.704 103.008 -10.296 1.00116.10 C +ATOM 710 N GLU I 867 -40.695 102.690 -10.676 1.00117.68 N +ATOM 711 CA GLU I 867 -41.947 102.942 -11.387 1.00118.90 C +ATOM 712 C GLU I 867 -43.100 103.320 -10.446 1.00121.21 C +ATOM 713 O GLU I 867 -43.930 104.152 -10.798 1.00121.78 O +ATOM 714 CB GLU I 867 -42.310 101.728 -12.252 1.00116.64 C +ATOM 715 CG GLU I 867 -41.154 101.311 -13.167 1.00119.16 C +ATOM 716 CD GLU I 867 -41.490 100.187 -14.156 1.00120.73 C +ATOM 717 OE1 GLU I 867 -42.141 99.199 -13.752 1.00121.89 O +ATOM 718 OE2 GLU I 867 -41.078 100.280 -15.338 1.00119.40 O +ATOM 719 N GLU I 868 -43.152 102.731 -9.250 1.00124.52 N +ATOM 720 CA GLU I 868 -44.209 103.068 -8.288 1.00126.80 C +ATOM 721 C GLU I 868 -44.072 104.534 -7.878 1.00127.58 C +ATOM 722 O GLU I 868 -45.060 105.178 -7.520 1.00128.33 O +ATOM 723 CB GLU I 868 -44.135 102.202 -7.012 1.00128.34 C +ATOM 724 CG GLU I 868 -45.048 102.736 -5.867 1.00130.21 C +ATOM 725 CD GLU I 868 -44.592 102.339 -4.455 1.00130.90 C +ATOM 726 OE1 GLU I 868 -45.005 103.011 -3.475 1.00129.75 O +ATOM 727 OE2 GLU I 868 -43.828 101.359 -4.322 1.00130.90 O +ATOM 728 N VAL I 869 -42.844 105.050 -7.903 1.00127.81 N +ATOM 729 CA VAL I 869 -42.605 106.440 -7.541 1.00127.89 C +ATOM 730 C VAL I 869 -42.936 107.307 -8.748 1.00128.68 C +ATOM 731 O VAL I 869 -43.301 108.471 -8.600 1.00129.21 O +ATOM 732 CB VAL I 869 -41.145 106.680 -7.094 1.00127.33 C +ATOM 733 CG1 VAL I 869 -40.922 108.155 -6.814 1.00126.29 C +ATOM 734 CG2 VAL I 869 -40.851 105.877 -5.835 1.00125.77 C +ATOM 735 N ARG I 870 -42.811 106.738 -9.943 1.00129.29 N +ATOM 736 CA ARG I 870 -43.162 107.475 -11.153 1.00130.58 C +ATOM 737 C ARG I 870 -44.686 107.568 -11.154 1.00132.09 C +ATOM 738 O ARG I 870 -45.259 108.629 -11.395 1.00132.75 O +ATOM 739 CB ARG I 870 -42.719 106.732 -12.417 1.00129.13 C +ATOM 740 CG ARG I 870 -41.248 106.820 -12.761 1.00127.68 C +ATOM 741 CD ARG I 870 -41.019 106.178 -14.117 1.00127.30 C +ATOM 742 NE ARG I 870 -39.635 106.278 -14.569 1.00128.99 N +ATOM 743 CZ ARG I 870 -38.663 105.432 -14.238 1.00129.71 C +ATOM 744 NH1 ARG I 870 -38.910 104.401 -13.441 1.00130.09 N +ATOM 745 NH2 ARG I 870 -37.437 105.619 -14.710 1.00130.01 N +ATOM 746 N ALA I 871 -45.333 106.438 -10.876 1.00133.36 N +ATOM 747 CA ALA I 871 -46.788 106.368 -10.837 1.00134.46 C +ATOM 748 C ALA I 871 -47.362 107.359 -9.822 1.00135.29 C +ATOM 749 O ALA I 871 -48.266 108.122 -10.144 1.00135.70 O +ATOM 750 CB ALA I 871 -47.234 104.944 -10.502 1.00134.15 C +ATOM 751 N VAL I 872 -46.843 107.353 -8.598 1.00136.07 N +ATOM 752 CA VAL I 872 -47.336 108.275 -7.583 1.00137.31 C +ATOM 753 C VAL I 872 -47.024 109.702 -8.024 1.00139.45 C +ATOM 754 O VAL I 872 -47.784 110.629 -7.744 1.00139.62 O +ATOM 755 CB VAL I 872 -46.688 108.006 -6.204 1.00136.76 C +ATOM 756 CG1 VAL I 872 -45.212 108.379 -6.233 1.00137.30 C +ATOM 757 CG2 VAL I 872 -47.417 108.784 -5.123 1.00134.98 C +ATOM 758 N LEU I 873 -45.903 109.876 -8.719 1.00141.99 N +ATOM 759 CA LEU I 873 -45.505 111.193 -9.219 1.00145.04 C +ATOM 760 C LEU I 873 -46.469 111.626 -10.329 1.00147.09 C +ATOM 761 O LEU I 873 -46.192 112.552 -11.100 1.00146.94 O +ATOM 762 CB LEU I 873 -44.066 111.147 -9.754 1.00144.68 C +ATOM 763 CG LEU I 873 -42.913 111.599 -8.847 1.00144.08 C +ATOM 764 CD1 LEU I 873 -42.562 113.041 -9.161 1.00143.61 C +ATOM 765 CD2 LEU I 873 -43.284 111.421 -7.376 1.00143.43 C +ATOM 766 N GLU I 874 -47.600 110.929 -10.402 1.00149.13 N +ATOM 767 CA GLU I 874 -48.634 111.217 -11.381 1.00150.44 C +ATOM 768 C GLU I 874 -49.779 111.937 -10.671 1.00151.20 C +ATOM 769 O GLU I 874 -50.880 111.400 -10.517 1.00150.49 O +ATOM 770 CB GLU I 874 -49.142 109.920 -12.020 1.00150.79 C +ATOM 771 CG GLU I 874 -50.074 110.107 -13.208 1.00151.38 C +ATOM 772 CD GLU I 874 -49.406 110.821 -14.369 1.00152.02 C +ATOM 773 OE1 GLU I 874 -48.237 110.502 -14.676 1.00152.53 O +ATOM 774 OE2 GLU I 874 -50.052 111.694 -14.984 1.00152.56 O +ATOM 775 N LEU I 875 -49.482 113.146 -10.202 1.00152.28 N +ATOM 776 CA LEU I 875 -50.465 113.990 -9.542 1.00153.20 C +ATOM 777 C LEU I 875 -50.764 115.059 -10.592 1.00153.87 C +ATOM 778 O LEU I 875 -51.921 115.371 -10.882 1.00153.38 O +ATOM 779 CB LEU I 875 -49.885 114.627 -8.260 1.00153.21 C +ATOM 780 CG LEU I 875 -48.850 115.767 -8.291 1.00152.84 C +ATOM 781 CD1 LEU I 875 -48.553 116.223 -6.863 1.00151.17 C +ATOM 782 CD2 LEU I 875 -47.570 115.308 -8.979 1.00152.92 C +ATOM 783 N GLY I 876 -49.692 115.581 -11.182 1.00154.71 N +ATOM 784 CA GLY I 876 -49.808 116.598 -12.210 1.00155.36 C +ATOM 785 C GLY I 876 -48.605 117.520 -12.195 1.00155.65 C +ATOM 786 O GLY I 876 -48.802 118.753 -12.267 1.00156.04 O Added: SwiftApps/modFTdock/input/2pe8-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2pe8-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2pe8-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,761 @@ +ATOM 1 N ALA A 298 1.746 -3.725 -20.405 1.00 65.12 N +ATOM 2 CA ALA A 298 2.449 -4.207 -19.177 1.00 64.95 C +ATOM 3 C ALA A 298 3.591 -3.256 -18.815 1.00 64.98 C +ATOM 4 O ALA A 298 4.380 -2.876 -19.687 1.00 64.97 O +ATOM 5 CB ALA A 298 2.981 -5.624 -19.390 1.00 65.17 C +ATOM 6 N MET A 299 3.674 -2.877 -17.535 1.00 64.54 N +ATOM 7 CA MET A 299 4.757 -2.003 -17.042 1.00 64.25 C +ATOM 8 C MET A 299 6.148 -2.508 -17.425 1.00 63.49 C +ATOM 9 O MET A 299 7.051 -1.712 -17.702 1.00 63.57 O +ATOM 10 CB MET A 299 4.692 -1.846 -15.511 1.00 64.43 C +ATOM 11 CG MET A 299 6.067 -1.701 -14.850 1.00 64.26 C +ATOM 12 SD MET A 299 6.088 -1.409 -13.104 1.00 67.02 S +ATOM 13 CE MET A 299 4.660 -2.333 -12.556 1.00 67.62 C +ATOM 14 N GLY A 300 6.325 -3.826 -17.404 1.00 62.63 N +ATOM 15 CA GLY A 300 7.617 -4.438 -17.688 1.00 61.77 C +ATOM 16 C GLY A 300 8.244 -4.137 -19.042 1.00 60.81 C +ATOM 17 O GLY A 300 9.463 -4.225 -19.188 1.00 60.33 O +ATOM 18 N LYS A 301 7.419 -3.797 -20.033 1.00 60.49 N +ATOM 19 CA LYS A 301 7.899 -3.548 -21.402 1.00 60.34 C +ATOM 20 C LYS A 301 8.388 -2.116 -21.650 1.00 59.93 C +ATOM 21 O LYS A 301 9.092 -1.872 -22.619 1.00 59.68 O +ATOM 22 CB LYS A 301 6.806 -3.859 -22.430 1.00 60.17 C +ATOM 23 CG LYS A 301 6.050 -5.160 -22.233 1.00 60.37 C +ATOM 24 CD LYS A 301 6.969 -6.354 -22.105 1.00 60.15 C +ATOM 25 CE LYS A 301 6.171 -7.646 -22.236 1.00 60.28 C +ATOM 26 NZ LYS A 301 7.029 -8.823 -21.958 1.00 61.32 N +ATOM 27 N CYS A 302 7.995 -1.172 -20.796 1.00 60.02 N +ATOM 28 CA CYS A 302 8.290 0.252 -21.013 1.00 59.66 C +ATOM 29 C CYS A 302 9.693 0.605 -20.522 1.00 58.52 C +ATOM 30 O CYS A 302 9.945 0.538 -19.334 1.00 58.02 O +ATOM 31 CB CYS A 302 7.278 1.120 -20.270 1.00 59.92 C +ATOM 32 SG CYS A 302 5.583 0.813 -20.753 1.00 64.99 S +ATOM 33 N PRO A 303 10.591 1.032 -21.427 1.00 58.16 N +ATOM 34 CA PRO A 303 11.971 1.330 -21.042 1.00 57.86 C +ATOM 35 C PRO A 303 12.107 2.449 -20.007 1.00 57.49 C +ATOM 36 O PRO A 303 11.575 3.548 -20.194 1.00 56.69 O +ATOM 37 CB PRO A 303 12.624 1.744 -22.364 1.00 57.64 C +ATOM 38 CG PRO A 303 11.768 1.166 -23.406 1.00 58.10 C +ATOM 39 CD PRO A 303 10.386 1.263 -22.865 1.00 58.17 C +ATOM 40 N THR A 304 12.810 2.141 -18.921 1.00 56.96 N +ATOM 41 CA THR A 304 13.157 3.094 -17.873 1.00 57.03 C +ATOM 42 C THR A 304 14.570 2.775 -17.385 1.00 57.02 C +ATOM 43 O THR A 304 15.160 1.768 -17.787 1.00 56.94 O +ATOM 44 CB THR A 304 12.198 2.998 -16.658 1.00 56.80 C +ATOM 45 OG1 THR A 304 12.383 1.739 -15.997 1.00 57.08 O +ATOM 46 CG2 THR A 304 10.733 3.152 -17.082 1.00 55.85 C +ATOM 47 N LYS A 305 15.092 3.630 -16.507 1.00 57.24 N +ATOM 48 CA LYS A 305 16.390 3.423 -15.846 1.00 57.36 C +ATOM 49 C LYS A 305 16.404 2.262 -14.823 1.00 57.11 C +ATOM 50 O LYS A 305 17.469 1.898 -14.323 1.00 56.89 O +ATOM 51 CB LYS A 305 16.813 4.714 -15.126 1.00 57.73 C +ATOM 52 CG LYS A 305 17.160 5.901 -16.047 1.00 58.75 C +ATOM 53 CD LYS A 305 16.812 7.273 -15.439 1.00 59.06 C +ATOM 54 CE LYS A 305 17.514 7.532 -14.112 1.00 60.37 C +ATOM 55 NZ LYS A 305 17.442 8.962 -13.663 1.00 60.61 N +ATOM 56 N VAL A 306 15.232 1.727 -14.472 1.00 56.40 N +ATOM 57 CA VAL A 306 15.120 0.697 -13.433 1.00 55.99 C +ATOM 58 C VAL A 306 14.851 -0.677 -14.055 1.00 55.56 C +ATOM 59 O VAL A 306 13.898 -0.863 -14.797 1.00 55.38 O +ATOM 60 CB VAL A 306 14.012 1.037 -12.395 1.00 55.87 C +ATOM 61 CG1 VAL A 306 14.022 0.036 -11.231 1.00 55.35 C +ATOM 62 CG2 VAL A 306 14.200 2.435 -11.860 1.00 55.40 C +ATOM 63 N VAL A 307 15.715 -1.633 -13.743 1.00 55.56 N +ATOM 64 CA VAL A 307 15.590 -2.986 -14.222 1.00 55.25 C +ATOM 65 C VAL A 307 15.130 -3.865 -13.063 1.00 54.82 C +ATOM 66 O VAL A 307 15.625 -3.719 -11.963 1.00 54.63 O +ATOM 67 CB VAL A 307 16.926 -3.472 -14.792 1.00 55.46 C +ATOM 68 CG1 VAL A 307 16.866 -4.956 -15.192 1.00 54.65 C +ATOM 69 CG2 VAL A 307 17.304 -2.604 -15.989 1.00 56.60 C +ATOM 70 N LEU A 308 14.154 -4.735 -13.324 1.00 54.75 N +ATOM 71 CA LEU A 308 13.740 -5.784 -12.391 1.00 54.27 C +ATOM 72 C LEU A 308 14.215 -7.162 -12.885 1.00 54.47 C +ATOM 73 O LEU A 308 13.945 -7.577 -14.018 1.00 54.52 O +ATOM 74 CB LEU A 308 12.224 -5.786 -12.190 1.00 54.09 C +ATOM 75 CG LEU A 308 11.625 -6.975 -11.431 1.00 54.18 C +ATOM 76 CD1 LEU A 308 12.215 -7.098 -9.988 1.00 49.66 C +ATOM 77 CD2 LEU A 308 10.102 -6.895 -11.419 1.00 53.57 C +ATOM 78 N LEU A 309 14.926 -7.859 -12.009 1.00 54.21 N +ATOM 79 CA LEU A 309 15.388 -9.201 -12.266 1.00 54.29 C +ATOM 80 C LEU A 309 14.587 -10.154 -11.382 1.00 54.23 C +ATOM 81 O LEU A 309 14.550 -10.002 -10.155 1.00 53.22 O +ATOM 82 CB LEU A 309 16.881 -9.307 -12.000 1.00 54.69 C +ATOM 83 CG LEU A 309 17.831 -8.383 -12.789 1.00 55.65 C +ATOM 84 CD1 LEU A 309 19.257 -8.724 -12.374 1.00 54.27 C +ATOM 85 CD2 LEU A 309 17.667 -8.509 -14.320 1.00 54.03 C +ATOM 86 N ARG A 310 13.896 -11.097 -12.024 1.00 54.52 N +ATOM 87 CA ARG A 310 13.154 -12.148 -11.325 1.00 54.73 C +ATOM 88 C ARG A 310 13.818 -13.516 -11.582 1.00 54.77 C +ATOM 89 O ARG A 310 14.543 -13.689 -12.565 1.00 53.01 O +ATOM 90 CB ARG A 310 11.703 -12.147 -11.762 1.00 54.96 C +ATOM 91 CG ARG A 310 10.920 -10.946 -11.200 1.00 55.07 C +ATOM 92 CD ARG A 310 9.535 -10.854 -11.784 1.00 56.58 C +ATOM 93 NE ARG A 310 9.597 -10.558 -13.211 1.00 58.33 N +ATOM 94 CZ ARG A 310 8.712 -10.985 -14.111 1.00 57.57 C +ATOM 95 NH1 ARG A 310 7.682 -11.732 -13.748 1.00 57.53 N +ATOM 96 NH2 ARG A 310 8.879 -10.680 -15.398 1.00 58.19 N +ATOM 97 N ASN A 311 13.564 -14.444 -10.663 1.00 54.91 N +ATOM 98 CA ASN A 311 14.019 -15.825 -10.725 1.00 56.50 C +ATOM 99 C ASN A 311 15.539 -15.963 -10.789 1.00 57.47 C +ATOM 100 O ASN A 311 16.067 -16.917 -11.362 1.00 57.25 O +ATOM 101 CB ASN A 311 13.350 -16.555 -11.892 1.00 55.54 C +ATOM 102 CG ASN A 311 13.557 -18.049 -11.842 1.00 54.78 C +ATOM 103 OD1 ASN A 311 13.804 -18.688 -12.869 1.00 52.38 O +ATOM 104 ND2 ASN A 311 13.480 -18.615 -10.646 1.00 48.64 N +ATOM 105 N MET A 312 16.239 -15.021 -10.173 1.00 59.23 N +ATOM 106 CA MET A 312 17.685 -15.077 -10.137 1.00 61.24 C +ATOM 107 C MET A 312 18.168 -15.906 -8.951 1.00 61.47 C +ATOM 108 O MET A 312 19.180 -16.613 -9.044 1.00 61.37 O +ATOM 109 CB MET A 312 18.271 -13.669 -10.117 1.00 61.93 C +ATOM 110 CG MET A 312 19.547 -13.592 -10.937 1.00 63.71 C +ATOM 111 SD MET A 312 20.428 -12.063 -10.687 1.00 66.55 S +ATOM 112 CE MET A 312 20.917 -11.731 -12.376 1.00 66.36 C +ATOM 113 N VAL A 313 17.432 -15.821 -7.844 1.00 62.13 N +ATOM 114 CA VAL A 313 17.671 -16.648 -6.668 1.00 62.60 C +ATOM 115 C VAL A 313 16.336 -16.882 -5.975 1.00 63.15 C +ATOM 116 O VAL A 313 15.393 -16.123 -6.198 1.00 62.65 O +ATOM 117 CB VAL A 313 18.636 -15.958 -5.733 1.00 62.89 C +ATOM 118 N GLY A 314 16.256 -17.940 -5.170 1.00 63.34 N +ATOM 119 CA GLY A 314 15.071 -18.224 -4.340 1.00 64.13 C +ATOM 120 C GLY A 314 15.202 -17.575 -2.968 1.00 64.53 C +ATOM 121 O GLY A 314 16.145 -16.836 -2.730 1.00 64.75 O +ATOM 122 N ALA A 315 14.266 -17.841 -2.064 1.00 65.40 N +ATOM 123 CA ALA A 315 14.301 -17.253 -0.707 1.00 65.95 C +ATOM 124 C ALA A 315 15.111 -18.092 0.303 1.00 66.90 C +ATOM 125 O ALA A 315 14.535 -19.012 0.878 1.00 67.41 O +ATOM 126 CB ALA A 315 12.877 -17.094 -0.195 1.00 65.94 C +ATOM 127 N GLY A 316 16.397 -17.812 0.582 1.00 67.94 N +ATOM 128 CA GLY A 316 17.213 -16.707 0.042 1.00 68.68 C +ATOM 129 C GLY A 316 18.320 -17.186 -0.912 1.00 69.44 C +ATOM 130 O GLY A 316 18.159 -18.233 -1.555 1.00 69.67 O +ATOM 131 N GLU A 317 19.488 -16.527 -0.948 1.00 69.98 N +ATOM 132 CA GLU A 317 20.123 -15.901 0.229 1.00 70.38 C +ATOM 133 C GLU A 317 20.230 -14.367 0.263 1.00 70.42 C +ATOM 134 O GLU A 317 19.512 -13.652 -0.438 1.00 70.17 O +ATOM 135 CB GLU A 317 21.525 -16.520 0.417 1.00 70.56 C +ATOM 136 N VAL A 318 21.116 -13.897 1.150 1.00 70.56 N +ATOM 137 CA VAL A 318 21.517 -12.494 1.259 1.00 70.55 C +ATOM 138 C VAL A 318 22.932 -12.284 0.701 1.00 70.54 C +ATOM 139 O VAL A 318 23.942 -12.248 1.485 1.00 70.40 O +ATOM 140 CB VAL A 318 21.457 -12.049 2.724 1.00 70.51 C +ATOM 141 N LEU A 322 24.728 -10.199 -1.685 1.00 62.40 N +ATOM 142 CA LEU A 322 24.029 -10.283 -2.972 1.00 62.60 C +ATOM 143 C LEU A 322 23.792 -8.896 -3.590 1.00 62.63 C +ATOM 144 O LEU A 322 23.986 -8.713 -4.790 1.00 62.73 O +ATOM 145 CB LEU A 322 22.691 -11.028 -2.825 1.00 62.41 C +ATOM 146 CG LEU A 322 22.219 -11.927 -3.984 1.00 62.37 C +ATOM 147 CD1 LEU A 322 20.705 -11.835 -4.185 1.00 61.57 C +ATOM 148 CD2 LEU A 322 22.916 -11.617 -5.296 1.00 62.00 C +ATOM 149 N GLU A 323 23.371 -7.933 -2.767 1.00 62.83 N +ATOM 150 CA GLU A 323 23.101 -6.558 -3.223 1.00 62.90 C +ATOM 151 C GLU A 323 24.370 -5.925 -3.800 1.00 62.91 C +ATOM 152 O GLU A 323 24.327 -5.285 -4.843 1.00 62.78 O +ATOM 153 CB GLU A 323 22.546 -5.696 -2.068 1.00 62.95 C +ATOM 154 CG GLU A 323 21.730 -4.468 -2.503 1.00 62.90 C +ATOM 155 CD GLU A 323 21.265 -3.589 -1.327 1.00 63.35 C +ATOM 156 OE1 GLU A 323 20.055 -3.592 -0.989 1.00 63.44 O +ATOM 157 OE2 GLU A 323 22.109 -2.878 -0.746 1.00 64.17 O +ATOM 158 N VAL A 324 25.496 -6.120 -3.113 1.00 63.04 N +ATOM 159 CA VAL A 324 26.803 -5.643 -3.578 1.00 63.05 C +ATOM 160 C VAL A 324 27.316 -6.469 -4.766 1.00 63.05 C +ATOM 161 O VAL A 324 27.961 -5.936 -5.673 1.00 63.03 O +ATOM 162 CB VAL A 324 27.818 -5.676 -2.427 1.00 62.85 C +ATOM 163 N GLU A 325 27.013 -7.765 -4.750 1.00 63.09 N +ATOM 164 CA GLU A 325 27.517 -8.714 -5.746 1.00 63.14 C +ATOM 165 C GLU A 325 26.810 -8.592 -7.088 1.00 63.00 C +ATOM 166 O GLU A 325 27.463 -8.627 -8.132 1.00 63.06 O +ATOM 167 CB GLU A 325 27.387 -10.146 -5.216 1.00 63.30 C +ATOM 168 CG GLU A 325 28.214 -10.411 -3.954 1.00 63.54 C +ATOM 169 CD GLU A 325 27.575 -11.423 -3.005 1.00 63.80 C +ATOM 170 OE1 GLU A 325 26.609 -12.109 -3.409 1.00 65.23 O +ATOM 171 OE2 GLU A 325 28.044 -11.529 -1.848 1.00 63.09 O +ATOM 172 N THR A 326 25.480 -8.464 -7.061 1.00 62.86 N +ATOM 173 CA THR A 326 24.686 -8.239 -8.275 1.00 62.72 C +ATOM 174 C THR A 326 24.973 -6.856 -8.863 1.00 62.41 C +ATOM 175 O THR A 326 25.147 -6.713 -10.068 1.00 62.14 O +ATOM 176 CB THR A 326 23.171 -8.375 -7.997 1.00 62.82 C +ATOM 177 OG1 THR A 326 22.899 -9.698 -7.519 1.00 63.67 O +ATOM 178 CG2 THR A 326 22.365 -8.120 -9.255 1.00 62.36 C +ATOM 179 N LYS A 327 25.027 -5.849 -7.998 1.00 62.10 N +ATOM 180 CA LYS A 327 25.410 -4.496 -8.398 1.00 62.06 C +ATOM 181 C LYS A 327 26.772 -4.486 -9.103 1.00 61.70 C +ATOM 182 O LYS A 327 26.921 -3.859 -10.149 1.00 61.25 O +ATOM 183 CB LYS A 327 25.424 -3.572 -7.173 1.00 61.96 C +ATOM 184 CG LYS A 327 25.682 -2.106 -7.468 1.00 62.13 C +ATOM 185 CD LYS A 327 25.431 -1.249 -6.229 1.00 62.34 C +ATOM 186 CE LYS A 327 26.420 -0.087 -6.109 1.00 62.50 C +ATOM 187 NZ LYS A 327 26.322 0.874 -7.246 1.00 62.88 N +ATOM 188 N GLU A 328 27.753 -5.192 -8.534 1.00 61.72 N +ATOM 189 CA GLU A 328 29.094 -5.293 -9.131 1.00 61.49 C +ATOM 190 C GLU A 328 29.062 -5.993 -10.496 1.00 61.25 C +ATOM 191 O GLU A 328 29.787 -5.600 -11.415 1.00 61.04 O +ATOM 192 CB GLU A 328 30.063 -6.016 -8.180 1.00 61.43 C +ATOM 193 N GLU A 329 28.229 -7.027 -10.617 1.00 61.04 N +ATOM 194 CA GLU A 329 28.081 -7.779 -11.868 1.00 61.25 C +ATOM 195 C GLU A 329 27.436 -6.939 -12.969 1.00 61.34 C +ATOM 196 O GLU A 329 27.784 -7.074 -14.138 1.00 61.57 O +ATOM 197 CB GLU A 329 27.256 -9.053 -11.636 1.00 60.81 C +ATOM 198 N CYS A 330 26.489 -6.082 -12.586 1.00 61.53 N +ATOM 199 CA CYS A 330 25.744 -5.251 -13.535 1.00 61.35 C +ATOM 200 C CYS A 330 26.441 -3.929 -13.874 1.00 61.15 C +ATOM 201 O CYS A 330 25.868 -3.097 -14.576 1.00 60.90 O +ATOM 202 CB CYS A 330 24.333 -4.977 -12.997 1.00 61.62 C +ATOM 203 SG CYS A 330 23.257 -6.433 -12.995 1.00 63.62 S +ATOM 204 N GLU A 331 27.672 -3.738 -13.392 1.00 60.90 N +ATOM 205 CA GLU A 331 28.477 -2.569 -13.772 1.00 60.82 C +ATOM 206 C GLU A 331 28.954 -2.638 -15.226 1.00 60.50 C +ATOM 207 O GLU A 331 29.284 -1.610 -15.814 1.00 60.23 O +ATOM 208 CB GLU A 331 29.704 -2.406 -12.857 1.00 60.97 C +ATOM 209 CG GLU A 331 29.409 -2.252 -11.362 1.00 61.68 C +ATOM 210 CD GLU A 331 28.748 -0.924 -10.993 1.00 62.41 C +ATOM 211 OE1 GLU A 331 27.986 -0.372 -11.814 1.00 62.70 O +ATOM 212 OE2 GLU A 331 28.992 -0.435 -9.867 1.00 62.11 O +ATOM 213 N LYS A 332 28.997 -3.843 -15.797 1.00 60.31 N +ATOM 214 CA LYS A 332 29.353 -4.015 -17.211 1.00 60.11 C +ATOM 215 C LYS A 332 28.395 -3.295 -18.179 1.00 59.51 C +ATOM 216 O LYS A 332 28.774 -2.984 -19.312 1.00 59.57 O +ATOM 217 CB LYS A 332 29.448 -5.504 -17.579 1.00 60.23 C +ATOM 218 CG LYS A 332 28.165 -6.311 -17.401 1.00 60.79 C +ATOM 219 CD LYS A 332 28.187 -7.601 -18.227 1.00 61.31 C +ATOM 220 CE LYS A 332 27.533 -8.758 -17.470 1.00 62.22 C +ATOM 221 NZ LYS A 332 28.484 -9.288 -16.435 1.00 63.30 N +ATOM 222 N TYR A 333 27.166 -3.036 -17.736 1.00 58.97 N +ATOM 223 CA TYR A 333 26.158 -2.362 -18.567 1.00 58.64 C +ATOM 224 C TYR A 333 26.227 -0.833 -18.426 1.00 58.51 C +ATOM 225 O TYR A 333 25.792 -0.098 -19.313 1.00 58.43 O +ATOM 226 CB TYR A 333 24.757 -2.889 -18.249 1.00 58.40 C +ATOM 227 CG TYR A 333 24.663 -4.396 -18.313 1.00 57.76 C +ATOM 228 CD1 TYR A 333 24.928 -5.079 -19.497 1.00 57.02 C +ATOM 229 CD2 TYR A 333 24.332 -5.139 -17.186 1.00 57.69 C +ATOM 230 CE1 TYR A 333 24.880 -6.457 -19.557 1.00 57.02 C +ATOM 231 CE2 TYR A 333 24.252 -6.520 -17.237 1.00 58.19 C +ATOM 232 CZ TYR A 333 24.525 -7.173 -18.426 1.00 58.34 C +ATOM 233 OH TYR A 333 24.445 -8.539 -18.475 1.00 58.52 O +ATOM 234 N GLY A 334 26.809 -0.365 -17.325 1.00 58.29 N +ATOM 235 CA GLY A 334 26.991 1.062 -17.071 1.00 58.10 C +ATOM 236 C GLY A 334 26.843 1.337 -15.592 1.00 57.88 C +ATOM 237 O GLY A 334 26.562 0.414 -14.819 1.00 57.81 O +ATOM 238 N LYS A 335 27.013 2.600 -15.200 1.00 57.61 N +ATOM 239 CA LYS A 335 26.910 3.000 -13.792 1.00 57.62 C +ATOM 240 C LYS A 335 25.544 2.650 -13.179 1.00 57.51 C +ATOM 241 O LYS A 335 24.493 2.969 -13.741 1.00 57.27 O +ATOM 242 CB LYS A 335 27.212 4.507 -13.629 1.00 57.53 C +ATOM 243 N VAL A 336 25.585 1.972 -12.034 1.00 57.66 N +ATOM 244 CA VAL A 336 24.394 1.594 -11.274 1.00 57.86 C +ATOM 245 C VAL A 336 24.202 2.561 -10.099 1.00 58.08 C +ATOM 246 O VAL A 336 25.022 2.604 -9.176 1.00 58.12 O +ATOM 247 CB VAL A 336 24.523 0.150 -10.735 1.00 57.78 C +ATOM 248 CG1 VAL A 336 23.345 -0.217 -9.845 1.00 57.71 C +ATOM 249 CG2 VAL A 336 24.660 -0.832 -11.884 1.00 57.85 C +ATOM 250 N GLY A 337 23.124 3.340 -10.147 1.00 58.35 N +ATOM 251 CA GLY A 337 22.764 4.241 -9.060 1.00 58.49 C +ATOM 252 C GLY A 337 22.581 3.501 -7.752 1.00 58.63 C +ATOM 253 O GLY A 337 23.214 3.836 -6.765 1.00 59.06 O +ATOM 254 N LYS A 338 21.723 2.488 -7.746 1.00 58.92 N +ATOM 255 CA LYS A 338 21.504 1.676 -6.550 1.00 58.92 C +ATOM 256 C LYS A 338 20.937 0.304 -6.892 1.00 59.00 C +ATOM 257 O LYS A 338 20.514 0.061 -8.029 1.00 58.77 O +ATOM 258 CB LYS A 338 20.567 2.396 -5.580 1.00 59.04 C +ATOM 259 CG LYS A 338 19.199 2.738 -6.149 1.00 59.36 C +ATOM 260 CD LYS A 338 18.422 3.683 -5.242 1.00 59.45 C +ATOM 261 CE LYS A 338 17.953 3.011 -3.963 1.00 59.82 C +ATOM 262 NZ LYS A 338 17.169 3.944 -3.119 1.00 59.66 N +ATOM 263 N CYS A 339 20.944 -0.591 -5.904 1.00 59.04 N +ATOM 264 CA CYS A 339 20.378 -1.938 -6.063 1.00 58.99 C +ATOM 265 C CYS A 339 19.549 -2.301 -4.836 1.00 58.80 C +ATOM 266 O CYS A 339 20.013 -2.132 -3.717 1.00 58.68 O +ATOM 267 CB CYS A 339 21.489 -2.972 -6.265 1.00 59.18 C +ATOM 268 SG CYS A 339 20.921 -4.694 -6.303 1.00 59.87 S +ATOM 269 N VAL A 340 18.325 -2.784 -5.053 1.00 58.46 N +ATOM 270 CA VAL A 340 17.419 -3.161 -3.959 1.00 58.17 C +ATOM 271 C VAL A 340 16.966 -4.598 -4.153 1.00 57.84 C +ATOM 272 O VAL A 340 16.469 -4.958 -5.223 1.00 57.57 O +ATOM 273 CB VAL A 340 16.159 -2.261 -3.901 1.00 58.09 C +ATOM 274 CG1 VAL A 340 15.276 -2.647 -2.714 1.00 58.11 C +ATOM 275 CG2 VAL A 340 16.548 -0.799 -3.809 1.00 59.12 C +ATOM 276 N ILE A 341 17.158 -5.422 -3.131 1.00 57.75 N +ATOM 277 CA ILE A 341 16.651 -6.789 -3.144 1.00 58.08 C +ATOM 278 C ILE A 341 15.390 -6.783 -2.312 1.00 57.81 C +ATOM 279 O ILE A 341 15.424 -6.416 -1.135 1.00 57.27 O +ATOM 280 CB ILE A 341 17.640 -7.825 -2.547 1.00 58.12 C +ATOM 281 CG1 ILE A 341 18.755 -8.182 -3.533 1.00 58.89 C +ATOM 282 CG2 ILE A 341 16.907 -9.106 -2.216 1.00 58.01 C +ATOM 283 CD1 ILE A 341 19.578 -7.012 -4.022 1.00 59.66 C +ATOM 284 N PHE A 342 14.287 -7.193 -2.922 1.00 57.87 N +ATOM 285 CA PHE A 342 13.002 -7.213 -2.254 1.00 58.53 C +ATOM 286 C PHE A 342 12.404 -8.612 -2.282 1.00 58.63 C +ATOM 287 O PHE A 342 12.230 -9.205 -3.337 1.00 57.90 O +ATOM 288 CB PHE A 342 12.041 -6.220 -2.914 1.00 58.28 C +ATOM 289 CG PHE A 342 10.691 -6.199 -2.281 1.00 58.28 C +ATOM 290 CD1 PHE A 342 10.523 -5.670 -1.016 1.00 58.57 C +ATOM 291 CD2 PHE A 342 9.592 -6.734 -2.931 1.00 59.03 C +ATOM 292 CE1 PHE A 342 9.287 -5.665 -0.415 1.00 58.35 C +ATOM 293 CE2 PHE A 342 8.341 -6.725 -2.328 1.00 57.48 C +ATOM 294 CZ PHE A 342 8.196 -6.193 -1.074 1.00 58.33 C +ATOM 295 N GLU A 343 12.074 -9.133 -1.110 1.00 59.57 N +ATOM 296 CA GLU A 343 11.531 -10.477 -1.010 1.00 60.30 C +ATOM 297 C GLU A 343 10.034 -10.443 -0.702 1.00 60.77 C +ATOM 298 O GLU A 343 9.602 -9.832 0.283 1.00 60.48 O +ATOM 299 CB GLU A 343 12.279 -11.272 0.057 1.00 60.47 C +ATOM 300 CG GLU A 343 12.010 -12.760 -0.001 1.00 60.64 C +ATOM 301 CD GLU A 343 12.876 -13.527 0.956 1.00 61.04 C +ATOM 302 OE1 GLU A 343 13.634 -14.395 0.496 1.00 62.51 O +ATOM 303 OE2 GLU A 343 12.813 -13.248 2.171 1.00 63.11 O +ATOM 304 N ILE A 344 9.262 -11.112 -1.558 1.00 61.40 N +ATOM 305 CA ILE A 344 7.813 -11.249 -1.408 1.00 61.81 C +ATOM 306 C ILE A 344 7.526 -12.506 -0.556 1.00 62.14 C +ATOM 307 O ILE A 344 7.741 -13.630 -1.021 1.00 62.10 O +ATOM 308 CB ILE A 344 7.143 -11.366 -2.804 1.00 61.88 C +ATOM 309 CG1 ILE A 344 7.495 -10.141 -3.662 1.00 62.41 C +ATOM 310 CG2 ILE A 344 5.643 -11.527 -2.672 1.00 61.65 C +ATOM 311 CD1 ILE A 344 6.801 -10.089 -5.030 1.00 62.21 C +ATOM 312 N PRO A 345 7.057 -12.328 0.701 1.00 62.63 N +ATOM 313 CA PRO A 345 6.940 -13.495 1.595 1.00 62.79 C +ATOM 314 C PRO A 345 5.843 -14.530 1.268 1.00 63.06 C +ATOM 315 O PRO A 345 5.689 -15.483 2.030 1.00 63.35 O +ATOM 316 CB PRO A 345 6.678 -12.862 2.974 1.00 62.96 C +ATOM 317 CG PRO A 345 6.938 -11.391 2.806 1.00 62.99 C +ATOM 318 CD PRO A 345 6.641 -11.090 1.381 1.00 62.60 C +ATOM 319 N GLY A 346 5.098 -14.348 0.171 1.00 63.26 N +ATOM 320 CA GLY A 346 4.133 -15.352 -0.327 1.00 63.27 C +ATOM 321 C GLY A 346 4.614 -16.804 -0.292 1.00 63.35 C +ATOM 322 O GLY A 346 4.539 -17.434 0.758 1.00 63.61 O +ATOM 323 N ALA A 347 5.103 -17.377 -1.395 1.00 63.55 N +ATOM 324 CA ALA A 347 5.263 -16.747 -2.724 1.00 63.50 C +ATOM 325 C ALA A 347 5.934 -17.787 -3.639 1.00 63.37 C +ATOM 326 O ALA A 347 6.790 -18.541 -3.170 1.00 63.45 O +ATOM 327 CB ALA A 347 6.122 -15.489 -2.649 1.00 63.61 C +ATOM 328 N PRO A 348 5.552 -17.848 -4.933 1.00 63.16 N +ATOM 329 CA PRO A 348 6.204 -18.835 -5.807 1.00 63.18 C +ATOM 330 C PRO A 348 7.722 -18.661 -5.797 1.00 63.00 C +ATOM 331 O PRO A 348 8.202 -17.526 -5.764 1.00 62.67 O +ATOM 332 CB PRO A 348 5.637 -18.512 -7.198 1.00 63.39 C +ATOM 333 CG PRO A 348 4.348 -17.807 -6.936 1.00 63.19 C +ATOM 334 CD PRO A 348 4.550 -17.045 -5.659 1.00 63.28 C +ATOM 335 N ASP A 349 8.463 -19.767 -5.829 1.00 62.85 N +ATOM 336 CA ASP A 349 9.925 -19.716 -5.677 1.00 62.77 C +ATOM 337 C ASP A 349 10.641 -18.913 -6.769 1.00 62.36 C +ATOM 338 O ASP A 349 11.703 -18.350 -6.512 1.00 62.65 O +ATOM 339 CB ASP A 349 10.529 -21.124 -5.598 1.00 62.89 C +ATOM 340 CG ASP A 349 11.942 -21.121 -5.033 1.00 63.22 C +ATOM 341 OD1 ASP A 349 12.100 -21.002 -3.802 1.00 64.81 O +ATOM 342 OD2 ASP A 349 12.899 -21.243 -5.820 1.00 64.70 O +ATOM 343 N ASP A 350 10.070 -18.858 -7.971 1.00 61.89 N +ATOM 344 CA ASP A 350 10.655 -18.071 -9.061 1.00 61.96 C +ATOM 345 C ASP A 350 10.147 -16.622 -9.113 1.00 62.03 C +ATOM 346 O ASP A 350 10.443 -15.887 -10.060 1.00 62.27 O +ATOM 347 CB ASP A 350 10.452 -18.754 -10.422 1.00 62.01 C +ATOM 348 CG ASP A 350 9.009 -19.065 -10.724 1.00 62.64 C +ATOM 349 OD1 ASP A 350 8.230 -19.257 -9.774 1.00 63.20 O +ATOM 350 OD2 ASP A 350 8.665 -19.144 -11.923 1.00 64.87 O +ATOM 351 N GLU A 351 9.377 -16.225 -8.105 1.00 61.54 N +ATOM 352 CA GLU A 351 8.921 -14.846 -7.974 1.00 61.38 C +ATOM 353 C GLU A 351 9.155 -14.257 -6.581 1.00 60.41 C +ATOM 354 O GLU A 351 8.982 -13.053 -6.374 1.00 60.68 O +ATOM 355 CB GLU A 351 7.458 -14.774 -8.401 1.00 61.56 C +ATOM 356 CG GLU A 351 7.327 -14.722 -9.931 1.00 63.23 C +ATOM 357 CD GLU A 351 5.999 -15.226 -10.461 1.00 63.27 C +ATOM 358 OE1 GLU A 351 5.350 -16.079 -9.802 1.00 66.37 O +ATOM 359 OE2 GLU A 351 5.613 -14.758 -11.561 1.00 66.64 O +ATOM 360 N ALA A 352 9.616 -15.089 -5.651 1.00 59.34 N +ATOM 361 CA ALA A 352 9.872 -14.666 -4.276 1.00 58.59 C +ATOM 362 C ALA A 352 10.865 -13.508 -4.199 1.00 57.82 C +ATOM 363 O ALA A 352 10.593 -12.515 -3.517 1.00 58.43 O +ATOM 364 CB ALA A 352 10.356 -15.850 -3.425 1.00 58.66 C +ATOM 365 N VAL A 353 11.978 -13.599 -4.924 1.00 56.07 N +ATOM 366 CA VAL A 353 13.025 -12.580 -4.837 1.00 55.21 C +ATOM 367 C VAL A 353 13.088 -11.671 -6.077 1.00 54.41 C +ATOM 368 O VAL A 353 13.395 -12.112 -7.194 1.00 54.31 O +ATOM 369 CB VAL A 353 14.410 -13.216 -4.534 1.00 55.28 C +ATOM 370 CG1 VAL A 353 15.483 -12.142 -4.470 1.00 54.96 C +ATOM 371 CG2 VAL A 353 14.349 -13.991 -3.207 1.00 54.67 C +ATOM 372 N ARG A 354 12.800 -10.390 -5.846 1.00 53.16 N +ATOM 373 CA ARG A 354 12.908 -9.352 -6.847 1.00 53.19 C +ATOM 374 C ARG A 354 14.172 -8.552 -6.596 1.00 52.56 C +ATOM 375 O ARG A 354 14.414 -8.074 -5.477 1.00 52.66 O +ATOM 376 CB ARG A 354 11.694 -8.417 -6.805 1.00 52.65 C +ATOM 377 CG ARG A 354 10.449 -9.043 -7.356 1.00 53.18 C +ATOM 378 CD ARG A 354 9.255 -8.089 -7.351 1.00 54.35 C +ATOM 379 NE ARG A 354 8.253 -8.587 -8.280 1.00 55.15 N +ATOM 380 CZ ARG A 354 7.280 -7.871 -8.828 1.00 55.74 C +ATOM 381 NH1 ARG A 354 7.120 -6.587 -8.523 1.00 55.13 N +ATOM 382 NH2 ARG A 354 6.454 -8.464 -9.685 1.00 57.22 N +ATOM 383 N ILE A 355 14.969 -8.408 -7.642 1.00 51.87 N +ATOM 384 CA ILE A 355 16.182 -7.624 -7.583 1.00 52.27 C +ATOM 385 C ILE A 355 16.007 -6.440 -8.510 1.00 52.04 C +ATOM 386 O ILE A 355 15.755 -6.613 -9.703 1.00 51.25 O +ATOM 387 CB ILE A 355 17.422 -8.446 -7.998 1.00 52.02 C +ATOM 388 CG1 ILE A 355 17.527 -9.704 -7.135 1.00 52.71 C +ATOM 389 CG2 ILE A 355 18.682 -7.582 -7.904 1.00 52.37 C +ATOM 390 CD1 ILE A 355 18.698 -10.621 -7.465 1.00 52.08 C +ATOM 391 N PHE A 356 16.124 -5.242 -7.941 1.00 52.41 N +ATOM 392 CA PHE A 356 16.016 -4.009 -8.692 1.00 52.99 C +ATOM 393 C PHE A 356 17.370 -3.337 -8.833 1.00 53.43 C +ATOM 394 O PHE A 356 18.108 -3.211 -7.858 1.00 53.63 O +ATOM 395 CB PHE A 356 15.085 -3.029 -7.988 1.00 52.35 C +ATOM 396 CG PHE A 356 13.683 -3.513 -7.845 1.00 51.98 C +ATOM 397 CD1 PHE A 356 12.712 -3.165 -8.780 1.00 51.79 C +ATOM 398 CD2 PHE A 356 13.314 -4.293 -6.767 1.00 51.73 C +ATOM 399 CE1 PHE A 356 11.420 -3.602 -8.641 1.00 52.17 C +ATOM 400 CE2 PHE A 356 12.010 -4.721 -6.627 1.00 51.74 C +ATOM 401 CZ PHE A 356 11.071 -4.383 -7.575 1.00 51.51 C +ATOM 402 N LEU A 357 17.676 -2.894 -10.046 1.00 53.92 N +ATOM 403 CA LEU A 357 18.854 -2.081 -10.302 1.00 54.61 C +ATOM 404 C LEU A 357 18.449 -0.770 -10.958 1.00 54.88 C +ATOM 405 O LEU A 357 17.860 -0.779 -12.035 1.00 55.21 O +ATOM 406 CB LEU A 357 19.808 -2.848 -11.210 1.00 54.96 C +ATOM 407 CG LEU A 357 20.355 -4.069 -10.465 1.00 55.48 C +ATOM 408 CD1 LEU A 357 20.069 -5.312 -11.247 1.00 56.14 C +ATOM 409 CD2 LEU A 357 21.839 -3.907 -10.104 1.00 55.11 C +ATOM 410 N GLU A 358 18.755 0.345 -10.302 1.00 55.63 N +ATOM 411 CA GLU A 358 18.534 1.660 -10.895 1.00 55.73 C +ATOM 412 C GLU A 358 19.831 2.125 -11.530 1.00 55.24 C +ATOM 413 O GLU A 358 20.796 2.402 -10.836 1.00 55.21 O +ATOM 414 CB GLU A 358 18.070 2.672 -9.855 1.00 56.10 C +ATOM 415 CG GLU A 358 17.534 3.964 -10.489 1.00 57.17 C +ATOM 416 CD GLU A 358 17.521 5.158 -9.553 1.00 57.97 C +ATOM 417 OE1 GLU A 358 17.662 5.014 -8.312 1.00 63.21 O +ATOM 418 OE2 GLU A 358 17.380 6.282 -10.074 1.00 63.43 O +ATOM 419 N PHE A 359 19.857 2.184 -12.854 1.00 54.72 N +ATOM 420 CA PHE A 359 21.018 2.680 -13.568 1.00 54.78 C +ATOM 421 C PHE A 359 20.971 4.204 -13.648 1.00 54.82 C +ATOM 422 O PHE A 359 19.909 4.812 -13.514 1.00 54.82 O +ATOM 423 CB PHE A 359 21.092 2.063 -14.968 1.00 54.47 C +ATOM 424 CG PHE A 359 21.450 0.607 -14.964 1.00 54.20 C +ATOM 425 CD1 PHE A 359 20.471 -0.361 -14.819 1.00 53.59 C +ATOM 426 CD2 PHE A 359 22.767 0.207 -15.090 1.00 53.88 C +ATOM 427 CE1 PHE A 359 20.800 -1.705 -14.812 1.00 54.51 C +ATOM 428 CE2 PHE A 359 23.105 -1.134 -15.080 1.00 53.82 C +ATOM 429 CZ PHE A 359 22.120 -2.091 -14.941 1.00 53.83 C +ATOM 430 N GLU A 360 22.127 4.817 -13.869 1.00 54.74 N +ATOM 431 CA GLU A 360 22.205 6.268 -14.014 1.00 54.94 C +ATOM 432 C GLU A 360 21.710 6.727 -15.390 1.00 54.70 C +ATOM 433 O GLU A 360 21.255 7.865 -15.542 1.00 54.64 O +ATOM 434 CB GLU A 360 23.638 6.756 -13.764 1.00 55.34 C +ATOM 435 CG GLU A 360 24.137 6.549 -12.335 1.00 57.05 C +ATOM 436 CD GLU A 360 23.646 7.622 -11.361 1.00 59.68 C +ATOM 437 OE1 GLU A 360 24.464 8.458 -10.921 1.00 60.89 O +ATOM 438 OE2 GLU A 360 22.440 7.631 -11.031 1.00 62.81 O +ATOM 439 N ARG A 361 21.805 5.845 -16.387 1.00 54.62 N +ATOM 440 CA ARG A 361 21.295 6.125 -17.728 1.00 54.53 C +ATOM 441 C ARG A 361 20.388 5.001 -18.212 1.00 54.39 C +ATOM 442 O ARG A 361 20.587 3.833 -17.867 1.00 54.19 O +ATOM 443 CB ARG A 361 22.451 6.333 -18.707 1.00 54.82 C +ATOM 444 N VAL A 362 19.392 5.364 -19.014 1.00 54.17 N +ATOM 445 CA VAL A 362 18.460 4.392 -19.573 1.00 54.41 C +ATOM 446 C VAL A 362 19.160 3.412 -20.527 1.00 54.34 C +ATOM 447 O VAL A 362 18.806 2.239 -20.558 1.00 54.64 O +ATOM 448 CB VAL A 362 17.247 5.082 -20.258 1.00 54.30 C +ATOM 449 CG1 VAL A 362 17.686 5.878 -21.467 1.00 54.28 C +ATOM 450 CG2 VAL A 362 16.185 4.045 -20.636 1.00 54.01 C +ATOM 451 N GLU A 363 20.163 3.887 -21.266 1.00 54.28 N +ATOM 452 CA GLU A 363 20.971 3.041 -22.173 1.00 54.42 C +ATOM 453 C GLU A 363 21.516 1.793 -21.468 1.00 54.03 C +ATOM 454 O GLU A 363 21.522 0.697 -22.036 1.00 53.81 O +ATOM 455 CB GLU A 363 22.140 3.861 -22.776 1.00 54.59 C +ATOM 456 CG GLU A 363 23.213 3.047 -23.529 1.00 55.20 C +ATOM 457 CD GLU A 363 24.361 3.899 -24.067 1.00 56.29 C +ATOM 458 OE1 GLU A 363 24.807 4.827 -23.347 1.00 58.53 O +ATOM 459 OE2 GLU A 363 24.830 3.634 -25.206 1.00 59.92 O +ATOM 460 N SER A 364 21.985 1.980 -20.238 1.00 53.71 N +ATOM 461 CA SER A 364 22.561 0.894 -19.445 1.00 53.61 C +ATOM 462 C SER A 364 21.493 -0.116 -19.050 1.00 53.40 C +ATOM 463 O SER A 364 21.717 -1.322 -19.123 1.00 53.31 O +ATOM 464 CB SER A 364 23.248 1.458 -18.200 1.00 53.18 C +ATOM 465 OG SER A 364 24.127 2.493 -18.563 1.00 52.71 O +ATOM 466 N ALA A 365 20.328 0.393 -18.657 1.00 53.46 N +ATOM 467 CA ALA A 365 19.187 -0.438 -18.279 1.00 53.60 C +ATOM 468 C ALA A 365 18.712 -1.292 -19.451 1.00 53.51 C +ATOM 469 O ALA A 365 18.475 -2.496 -19.308 1.00 54.56 O +ATOM 470 CB ALA A 365 18.035 0.446 -17.749 1.00 53.08 C +ATOM 471 N ILE A 366 18.594 -0.673 -20.619 1.00 53.19 N +ATOM 472 CA ILE A 366 18.177 -1.384 -21.823 1.00 53.06 C +ATOM 473 C ILE A 366 19.143 -2.533 -22.144 1.00 53.07 C +ATOM 474 O ILE A 366 18.712 -3.657 -22.385 1.00 52.91 O +ATOM 475 CB ILE A 366 18.090 -0.439 -23.040 1.00 53.23 C +ATOM 476 CG1 ILE A 366 17.030 0.653 -22.818 1.00 52.67 C +ATOM 477 CG2 ILE A 366 17.802 -1.234 -24.325 1.00 52.65 C +ATOM 478 CD1 ILE A 366 17.320 1.947 -23.609 1.00 52.85 C +ATOM 479 N LYS A 367 20.438 -2.234 -22.130 1.00 52.63 N +ATOM 480 CA LYS A 367 21.484 -3.232 -22.359 1.00 53.09 C +ATOM 481 C LYS A 367 21.391 -4.391 -21.391 1.00 52.66 C +ATOM 482 O LYS A 367 21.594 -5.526 -21.781 1.00 52.65 O +ATOM 483 CB LYS A 367 22.888 -2.601 -22.243 1.00 52.96 C +ATOM 484 CG LYS A 367 23.316 -1.734 -23.408 1.00 53.36 C +ATOM 485 CD LYS A 367 24.694 -1.105 -23.138 1.00 53.36 C +ATOM 486 CE LYS A 367 25.093 -0.143 -24.225 1.00 53.89 C +ATOM 487 NZ LYS A 367 26.482 0.424 -24.051 1.00 55.00 N +ATOM 488 N ALA A 368 21.141 -4.083 -20.119 1.00 53.15 N +ATOM 489 CA ALA A 368 21.020 -5.102 -19.086 1.00 53.66 C +ATOM 490 C ALA A 368 19.820 -6.021 -19.333 1.00 53.80 C +ATOM 491 O ALA A 368 19.961 -7.233 -19.225 1.00 53.82 O +ATOM 492 CB ALA A 368 20.930 -4.457 -17.686 1.00 53.40 C +ATOM 493 N VAL A 369 18.660 -5.447 -19.665 1.00 53.86 N +ATOM 494 CA VAL A 369 17.435 -6.237 -19.969 1.00 54.12 C +ATOM 495 C VAL A 369 17.650 -7.154 -21.167 1.00 53.64 C +ATOM 496 O VAL A 369 17.380 -8.353 -21.094 1.00 54.39 O +ATOM 497 CB VAL A 369 16.155 -5.341 -20.181 1.00 53.67 C +ATOM 498 CG1 VAL A 369 14.946 -6.167 -20.675 1.00 56.22 C +ATOM 499 CG2 VAL A 369 15.806 -4.605 -18.921 1.00 54.04 C +ATOM 500 N VAL A 370 18.148 -6.597 -22.263 1.00 53.57 N +ATOM 501 CA VAL A 370 18.452 -7.382 -23.444 1.00 53.39 C +ATOM 502 C VAL A 370 19.467 -8.501 -23.119 1.00 53.27 C +ATOM 503 O VAL A 370 19.291 -9.618 -23.564 1.00 52.24 O +ATOM 504 CB VAL A 370 18.962 -6.465 -24.633 1.00 53.52 C +ATOM 505 CG1 VAL A 370 19.325 -7.291 -25.838 1.00 51.97 C +ATOM 506 CG2 VAL A 370 17.894 -5.410 -25.011 1.00 52.78 C +ATOM 507 N ASP A 371 20.500 -8.203 -22.322 1.00 53.35 N +ATOM 508 CA ASP A 371 21.561 -9.185 -22.047 1.00 54.12 C +ATOM 509 C ASP A 371 21.150 -10.284 -21.044 1.00 54.33 C +ATOM 510 O ASP A 371 21.616 -11.424 -21.152 1.00 54.50 O +ATOM 511 CB ASP A 371 22.844 -8.496 -21.557 1.00 53.77 C +ATOM 512 CG ASP A 371 24.062 -9.424 -21.603 1.00 53.71 C +ATOM 513 OD1 ASP A 371 24.396 -9.941 -22.679 1.00 52.77 O +ATOM 514 OD2 ASP A 371 24.681 -9.644 -20.546 1.00 54.80 O +ATOM 515 N LEU A 372 20.287 -9.949 -20.091 1.00 54.92 N +ATOM 516 CA LEU A 372 19.940 -10.872 -18.997 1.00 55.41 C +ATOM 517 C LEU A 372 18.601 -11.605 -19.140 1.00 56.35 C +ATOM 518 O LEU A 372 18.436 -12.681 -18.546 1.00 56.43 O +ATOM 519 CB LEU A 372 19.973 -10.151 -17.645 1.00 55.17 C +ATOM 520 CG LEU A 372 21.305 -9.587 -17.170 1.00 54.83 C +ATOM 521 CD1 LEU A 372 21.101 -8.776 -15.914 1.00 54.40 C +ATOM 522 CD2 LEU A 372 22.386 -10.678 -16.974 1.00 55.39 C +ATOM 523 N ASN A 373 17.649 -11.035 -19.885 1.00 56.12 N +ATOM 524 CA ASN A 373 16.373 -11.703 -20.080 1.00 56.54 C +ATOM 525 C ASN A 373 16.595 -13.046 -20.791 1.00 56.86 C +ATOM 526 O ASN A 373 17.189 -13.112 -21.863 1.00 57.12 O +ATOM 527 CB ASN A 373 15.361 -10.811 -20.818 1.00 56.19 C +ATOM 528 CG ASN A 373 13.939 -11.384 -20.798 1.00 56.24 C +ATOM 529 OD1 ASN A 373 13.419 -11.780 -19.752 1.00 53.70 O +ATOM 530 ND2 ASN A 373 13.310 -11.429 -21.964 1.00 55.76 N +ATOM 531 N GLY A 374 16.147 -14.119 -20.143 1.00 57.47 N +ATOM 532 CA GLY A 374 16.258 -15.470 -20.676 1.00 57.41 C +ATOM 533 C GLY A 374 17.562 -16.156 -20.327 1.00 57.78 C +ATOM 534 O GLY A 374 17.799 -17.293 -20.750 1.00 57.55 O +ATOM 535 N ARG A 375 18.411 -15.488 -19.553 1.00 58.38 N +ATOM 536 CA ARG A 375 19.748 -16.005 -19.273 1.00 58.61 C +ATOM 537 C ARG A 375 19.718 -17.116 -18.234 1.00 58.50 C +ATOM 538 O ARG A 375 18.957 -17.056 -17.271 1.00 57.00 O +ATOM 539 CB ARG A 375 20.650 -14.886 -18.776 1.00 59.21 C +ATOM 540 CG ARG A 375 21.965 -15.363 -18.235 1.00 60.94 C +ATOM 541 CD ARG A 375 23.037 -14.391 -18.555 1.00 65.45 C +ATOM 542 NE ARG A 375 23.298 -14.397 -19.983 1.00 66.30 N +ATOM 543 CZ ARG A 375 23.952 -13.437 -20.620 1.00 68.06 C +ATOM 544 NH1 ARG A 375 24.406 -12.379 -19.950 1.00 68.73 N +ATOM 545 NH2 ARG A 375 24.147 -13.528 -21.933 1.00 67.88 N +ATOM 546 N TYR A 376 20.572 -18.117 -18.437 1.00 58.48 N +ATOM 547 CA TYR A 376 20.701 -19.242 -17.519 1.00 58.98 C +ATOM 548 C TYR A 376 21.701 -18.892 -16.424 1.00 59.28 C +ATOM 549 O TYR A 376 22.884 -18.669 -16.697 1.00 59.97 O +ATOM 550 CB TYR A 376 21.164 -20.467 -18.295 1.00 59.11 C +ATOM 551 CG TYR A 376 21.256 -21.771 -17.536 1.00 59.12 C +ATOM 552 CD1 TYR A 376 22.456 -22.167 -16.941 1.00 60.05 C +ATOM 553 CD2 TYR A 376 20.180 -22.651 -17.484 1.00 59.00 C +ATOM 554 CE1 TYR A 376 22.568 -23.378 -16.270 1.00 59.71 C +ATOM 555 CE2 TYR A 376 20.287 -23.881 -16.817 1.00 59.75 C +ATOM 556 CZ TYR A 376 21.487 -24.240 -16.212 1.00 59.69 C +ATOM 557 OH TYR A 376 21.620 -25.457 -15.552 1.00 60.44 O +ATOM 558 N PHE A 377 21.218 -18.873 -15.189 1.00 59.50 N +ATOM 559 CA PHE A 377 21.991 -18.462 -14.029 1.00 59.00 C +ATOM 560 C PHE A 377 21.783 -19.498 -12.915 1.00 58.50 C +ATOM 561 O PHE A 377 20.744 -19.502 -12.251 1.00 58.31 O +ATOM 562 CB PHE A 377 21.527 -17.064 -13.593 1.00 61.08 C +ATOM 563 CG PHE A 377 22.193 -16.554 -12.343 1.00 61.36 C +ATOM 564 CD1 PHE A 377 23.460 -15.980 -12.400 1.00 64.36 C +ATOM 565 CD2 PHE A 377 21.558 -16.651 -11.111 1.00 63.43 C +ATOM 566 CE1 PHE A 377 24.085 -15.510 -11.239 1.00 64.08 C +ATOM 567 CE2 PHE A 377 22.172 -16.181 -9.946 1.00 63.59 C +ATOM 568 CZ PHE A 377 23.434 -15.608 -10.011 1.00 63.91 C +ATOM 569 N GLY A 378 22.768 -20.382 -12.742 1.00 57.35 N +ATOM 570 CA GLY A 378 22.758 -21.415 -11.701 1.00 56.60 C +ATOM 571 C GLY A 378 21.553 -22.335 -11.738 1.00 55.69 C +ATOM 572 O GLY A 378 20.907 -22.570 -10.709 1.00 55.94 O +ATOM 573 N GLY A 379 21.228 -22.826 -12.929 1.00 54.24 N +ATOM 574 CA GLY A 379 20.063 -23.686 -13.111 1.00 53.74 C +ATOM 575 C GLY A 379 18.736 -22.961 -13.310 1.00 52.27 C +ATOM 576 O GLY A 379 17.737 -23.596 -13.603 1.00 50.79 O +ATOM 577 N ARG A 380 18.730 -21.638 -13.167 1.00 52.21 N +ATOM 578 CA ARG A 380 17.498 -20.844 -13.257 1.00 52.55 C +ATOM 579 C ARG A 380 17.474 -19.998 -14.513 1.00 52.25 C +ATOM 580 O ARG A 380 18.517 -19.527 -14.957 1.00 52.88 O +ATOM 581 CB ARG A 380 17.367 -19.919 -12.045 1.00 52.08 C +ATOM 582 CG ARG A 380 17.574 -20.621 -10.721 1.00 53.68 C +ATOM 583 CD ARG A 380 17.606 -19.641 -9.571 1.00 54.13 C +ATOM 584 NE ARG A 380 16.274 -19.306 -9.102 1.00 55.30 N +ATOM 585 CZ ARG A 380 15.632 -19.886 -8.090 1.00 55.89 C +ATOM 586 NH1 ARG A 380 16.176 -20.866 -7.385 1.00 56.64 N +ATOM 587 NH2 ARG A 380 14.420 -19.462 -7.767 1.00 56.62 N +ATOM 588 N VAL A 381 16.283 -19.772 -15.061 1.00 51.85 N +ATOM 589 CA VAL A 381 16.118 -18.848 -16.188 1.00 51.69 C +ATOM 590 C VAL A 381 15.656 -17.491 -15.680 1.00 51.49 C +ATOM 591 O VAL A 381 14.548 -17.357 -15.160 1.00 51.15 O +ATOM 592 CB VAL A 381 15.109 -19.367 -17.229 1.00 51.67 C +ATOM 593 CG1 VAL A 381 15.080 -18.430 -18.440 1.00 50.44 C +ATOM 594 CG2 VAL A 381 15.452 -20.811 -17.626 1.00 50.44 C +ATOM 595 N VAL A 382 16.523 -16.494 -15.833 1.00 51.33 N +ATOM 596 CA VAL A 382 16.260 -15.150 -15.350 1.00 52.51 C +ATOM 597 C VAL A 382 15.228 -14.469 -16.255 1.00 52.40 C +ATOM 598 O VAL A 382 15.240 -14.653 -17.478 1.00 52.30 O +ATOM 599 CB VAL A 382 17.567 -14.312 -15.324 1.00 52.63 C +ATOM 600 CG1 VAL A 382 17.281 -12.839 -15.023 1.00 52.45 C +ATOM 601 CG2 VAL A 382 18.568 -14.927 -14.314 1.00 52.71 C +ATOM 602 N LYS A 383 14.325 -13.732 -15.626 1.00 52.78 N +ATOM 603 CA LYS A 383 13.382 -12.846 -16.299 1.00 53.81 C +ATOM 604 C LYS A 383 13.809 -11.433 -15.983 1.00 54.04 C +ATOM 605 O LYS A 383 13.857 -11.059 -14.825 1.00 54.79 O +ATOM 606 CB LYS A 383 11.967 -13.060 -15.766 1.00 53.42 C +ATOM 607 CG LYS A 383 11.357 -14.408 -16.052 1.00 55.29 C +ATOM 608 CD LYS A 383 9.922 -14.462 -15.458 1.00 55.94 C +ATOM 609 CE LYS A 383 9.057 -15.543 -16.080 1.00 57.01 C +ATOM 610 NZ LYS A 383 7.633 -15.445 -15.584 1.00 58.43 N +ATOM 611 N ALA A 384 14.125 -10.653 -17.012 1.00 54.31 N +ATOM 612 CA ALA A 384 14.537 -9.271 -16.854 1.00 53.92 C +ATOM 613 C ALA A 384 13.559 -8.369 -17.563 1.00 53.91 C +ATOM 614 O ALA A 384 13.127 -8.666 -18.674 1.00 53.92 O +ATOM 615 CB ALA A 384 15.927 -9.060 -17.404 1.00 53.34 C +ATOM 616 N CYS A 385 13.187 -7.282 -16.897 1.00 53.99 N +ATOM 617 CA CYS A 385 12.301 -6.294 -17.488 1.00 54.28 C +ATOM 618 C CYS A 385 12.560 -4.940 -16.863 1.00 54.08 C +ATOM 619 O CYS A 385 13.457 -4.791 -16.022 1.00 54.30 O +ATOM 620 CB CYS A 385 10.830 -6.724 -17.349 1.00 55.04 C +ATOM 621 SG CYS A 385 10.117 -6.699 -15.688 1.00 56.33 S +ATOM 622 N PHE A 386 11.794 -3.951 -17.310 1.00 54.64 N +ATOM 623 CA PHE A 386 11.818 -2.611 -16.749 1.00 54.49 C +ATOM 624 C PHE A 386 10.755 -2.471 -15.636 1.00 54.68 C +ATOM 625 O PHE A 386 9.811 -3.275 -15.519 1.00 54.27 O +ATOM 626 CB PHE A 386 11.558 -1.574 -17.852 1.00 54.46 C +ATOM 627 CG PHE A 386 12.531 -1.646 -19.002 1.00 54.93 C +ATOM 628 CD1 PHE A 386 13.820 -1.161 -18.863 1.00 53.57 C +ATOM 629 CD2 PHE A 386 12.140 -2.178 -20.238 1.00 54.10 C +ATOM 630 CE1 PHE A 386 14.714 -1.218 -19.913 1.00 54.92 C +ATOM 631 CE2 PHE A 386 13.029 -2.231 -21.295 1.00 54.49 C +ATOM 632 CZ PHE A 386 14.326 -1.748 -21.129 1.00 54.55 C +ATOM 633 N TYR A 387 10.937 -1.443 -14.816 1.00 54.31 N +ATOM 634 CA TYR A 387 10.017 -1.134 -13.741 1.00 54.02 C +ATOM 635 C TYR A 387 9.762 0.370 -13.731 1.00 53.76 C +ATOM 636 O TYR A 387 10.650 1.169 -14.050 1.00 53.24 O +ATOM 637 CB TYR A 387 10.601 -1.590 -12.407 1.00 53.33 C +ATOM 638 CG TYR A 387 9.578 -1.859 -11.342 1.00 53.50 C +ATOM 639 CD1 TYR A 387 8.868 -3.060 -11.322 1.00 53.88 C +ATOM 640 CD2 TYR A 387 9.326 -0.926 -10.330 1.00 51.53 C +ATOM 641 CE1 TYR A 387 7.926 -3.312 -10.334 1.00 53.07 C +ATOM 642 CE2 TYR A 387 8.404 -1.175 -9.350 1.00 51.53 C +ATOM 643 CZ TYR A 387 7.709 -2.367 -9.350 1.00 51.58 C +ATOM 644 OH TYR A 387 6.794 -2.605 -8.359 1.00 53.49 O +ATOM 645 N ASN A 388 8.536 0.732 -13.375 1.00 53.60 N +ATOM 646 CA ASN A 388 8.118 2.113 -13.308 1.00 54.06 C +ATOM 647 C ASN A 388 8.989 2.906 -12.306 1.00 54.83 C +ATOM 648 O ASN A 388 9.140 2.520 -11.136 1.00 53.84 O +ATOM 649 CB ASN A 388 6.633 2.167 -12.923 1.00 53.65 C +ATOM 650 CG ASN A 388 6.078 3.561 -12.960 1.00 52.29 C +ATOM 651 OD1 ASN A 388 5.943 4.196 -11.932 1.00 48.36 O +ATOM 652 ND2 ASN A 388 5.798 4.062 -14.155 1.00 48.09 N +ATOM 653 N LEU A 389 9.561 4.010 -12.783 1.00 56.08 N +ATOM 654 CA LEU A 389 10.499 4.800 -11.993 1.00 56.40 C +ATOM 655 C LEU A 389 9.808 5.389 -10.769 1.00 57.06 C +ATOM 656 O LEU A 389 10.376 5.390 -9.681 1.00 57.74 O +ATOM 657 CB LEU A 389 11.107 5.924 -12.841 1.00 56.89 C +ATOM 658 CG LEU A 389 12.496 6.483 -12.490 1.00 57.21 C +ATOM 659 CD1 LEU A 389 12.519 7.983 -12.732 1.00 57.74 C +ATOM 660 CD2 LEU A 389 12.937 6.180 -11.059 1.00 59.57 C +ATOM 661 N ASP A 390 8.579 5.871 -10.944 1.00 57.24 N +ATOM 662 CA ASP A 390 7.815 6.482 -9.855 1.00 57.03 C +ATOM 663 C ASP A 390 7.457 5.469 -8.761 1.00 56.65 C +ATOM 664 O ASP A 390 7.587 5.766 -7.576 1.00 55.93 O +ATOM 665 CB ASP A 390 6.541 7.151 -10.392 1.00 57.45 C +ATOM 666 CG ASP A 390 6.777 8.586 -10.879 1.00 59.09 C +ATOM 667 OD1 ASP A 390 7.949 9.000 -11.045 1.00 61.90 O +ATOM 668 OD2 ASP A 390 5.778 9.301 -11.103 1.00 59.70 O +ATOM 669 N LYS A 391 6.990 4.290 -9.166 1.00 56.45 N +ATOM 670 CA LYS A 391 6.759 3.174 -8.240 1.00 56.82 C +ATOM 671 C LYS A 391 8.034 2.795 -7.476 1.00 56.65 C +ATOM 672 O LYS A 391 7.986 2.550 -6.271 1.00 56.23 O +ATOM 673 CB LYS A 391 6.246 1.933 -8.983 1.00 56.99 C +ATOM 674 CG LYS A 391 4.846 2.054 -9.559 1.00 56.74 C +ATOM 675 CD LYS A 391 3.788 1.944 -8.494 1.00 56.96 C +ATOM 676 CE LYS A 391 2.382 2.054 -9.087 1.00 57.08 C +ATOM 677 NZ LYS A 391 1.325 1.849 -8.042 1.00 57.05 N +ATOM 678 N PHE A 392 9.164 2.735 -8.181 1.00 57.18 N +ATOM 679 CA PHE A 392 10.441 2.414 -7.550 1.00 57.43 C +ATOM 680 C PHE A 392 10.818 3.431 -6.456 1.00 57.71 C +ATOM 681 O PHE A 392 11.250 3.054 -5.361 1.00 57.80 O +ATOM 682 CB PHE A 392 11.556 2.313 -8.596 1.00 57.94 C +ATOM 683 CG PHE A 392 12.884 1.900 -8.023 1.00 57.73 C +ATOM 684 CD1 PHE A 392 13.073 0.609 -7.542 1.00 58.42 C +ATOM 685 CD2 PHE A 392 13.932 2.812 -7.923 1.00 59.14 C +ATOM 686 CE1 PHE A 392 14.295 0.217 -6.992 1.00 58.56 C +ATOM 687 CE2 PHE A 392 15.157 2.434 -7.364 1.00 59.38 C +ATOM 688 CZ PHE A 392 15.338 1.124 -6.906 1.00 58.88 C +ATOM 689 N ARG A 393 10.637 4.717 -6.746 1.00 57.95 N +ATOM 690 CA ARG A 393 11.048 5.777 -5.819 1.00 57.91 C +ATOM 691 C ARG A 393 10.257 5.791 -4.504 1.00 57.74 C +ATOM 692 O ARG A 393 10.817 6.118 -3.458 1.00 57.77 O +ATOM 693 CB ARG A 393 10.981 7.149 -6.495 1.00 58.68 C +ATOM 694 CG ARG A 393 11.937 7.311 -7.664 1.00 60.19 C +ATOM 695 CD ARG A 393 13.406 7.392 -7.243 1.00 62.42 C +ATOM 696 NE ARG A 393 14.302 7.433 -8.407 1.00 62.48 N +ATOM 697 CZ ARG A 393 14.472 8.493 -9.201 1.00 63.36 C +ATOM 698 NH1 ARG A 393 13.802 9.619 -8.996 1.00 63.13 N +ATOM 699 NH2 ARG A 393 15.306 8.424 -10.231 1.00 63.87 N +ATOM 700 N VAL A 394 8.977 5.425 -4.540 1.00 57.34 N +ATOM 701 CA VAL A 394 8.186 5.317 -3.301 1.00 57.16 C +ATOM 702 C VAL A 394 8.222 3.909 -2.684 1.00 56.83 C +ATOM 703 O VAL A 394 7.476 3.618 -1.745 1.00 56.74 O +ATOM 704 CB VAL A 394 6.718 5.786 -3.502 1.00 57.14 C +ATOM 705 CG1 VAL A 394 6.690 7.251 -3.938 1.00 57.72 C +ATOM 706 CG2 VAL A 394 5.967 4.895 -4.490 1.00 56.46 C +ATOM 707 N LEU A 395 9.109 3.061 -3.215 1.00 57.05 N +ATOM 708 CA LEU A 395 9.306 1.664 -2.785 1.00 56.61 C +ATOM 709 C LEU A 395 8.045 0.797 -2.885 1.00 56.40 C +ATOM 710 O LEU A 395 7.774 -0.041 -2.024 1.00 55.93 O +ATOM 711 CB LEU A 395 9.929 1.606 -1.388 1.00 56.55 C +ATOM 712 CG LEU A 395 11.290 2.298 -1.267 1.00 56.66 C +ATOM 713 CD1 LEU A 395 11.810 2.183 0.161 1.00 56.90 C +ATOM 714 CD2 LEU A 395 12.301 1.725 -2.257 1.00 57.33 C +ATOM 715 N ASP A 396 7.300 0.998 -3.971 1.00 56.20 N +ATOM 716 CA ASP A 396 6.157 0.163 -4.305 1.00 55.88 C +ATOM 717 C ASP A 396 6.700 -0.907 -5.264 1.00 55.36 C +ATOM 718 O ASP A 396 6.700 -0.748 -6.486 1.00 54.50 O +ATOM 719 CB ASP A 396 5.017 0.998 -4.913 1.00 55.94 C +ATOM 720 CG ASP A 396 3.715 0.219 -5.015 1.00 56.87 C +ATOM 721 OD1 ASP A 396 3.795 -1.021 -5.186 1.00 60.79 O +ATOM 722 OD2 ASP A 396 2.622 0.833 -4.927 1.00 57.80 O +ATOM 723 N LEU A 397 7.178 -1.997 -4.668 1.00 55.15 N +ATOM 724 CA LEU A 397 8.011 -2.987 -5.352 1.00 55.23 C +ATOM 725 C LEU A 397 7.300 -4.306 -5.660 1.00 55.19 C +ATOM 726 O LEU A 397 7.938 -5.244 -6.151 1.00 54.53 O +ATOM 727 CB LEU A 397 9.255 -3.265 -4.498 1.00 54.91 C +ATOM 728 CG LEU A 397 10.113 -2.038 -4.176 1.00 54.22 C +ATOM 729 CD1 LEU A 397 11.330 -2.447 -3.383 1.00 53.20 C +ATOM 730 CD2 LEU A 397 10.519 -1.280 -5.450 1.00 51.82 C +ATOM 731 N ALA A 398 5.995 -4.386 -5.389 1.00 55.35 N +ATOM 732 CA ALA A 398 5.233 -5.624 -5.606 1.00 56.04 C +ATOM 733 C ALA A 398 4.243 -5.559 -6.775 1.00 56.29 C +ATOM 734 O ALA A 398 3.357 -6.401 -6.881 1.00 56.59 O +ATOM 735 CB ALA A 398 4.519 -6.042 -4.319 1.00 55.94 C +ATOM 736 N GLU A 399 4.423 -4.598 -7.676 1.00 56.89 N +ATOM 737 CA GLU A 399 3.514 -4.422 -8.812 1.00 57.61 C +ATOM 738 C GLU A 399 3.638 -5.531 -9.871 1.00 57.79 C +ATOM 739 O GLU A 399 4.706 -6.085 -10.069 1.00 57.52 O +ATOM 740 CB GLU A 399 3.758 -3.060 -9.475 1.00 57.71 C +ATOM 741 CG GLU A 399 3.388 -1.874 -8.612 1.00 58.97 C +ATOM 742 CD GLU A 399 1.884 -1.726 -8.445 1.00 59.21 C +ATOM 743 OE1 GLU A 399 1.161 -1.873 -9.455 1.00 59.43 O +ATOM 744 OE2 GLU A 399 1.419 -1.463 -7.313 1.00 62.25 O +ATOM 745 N GLN A 400 2.527 -5.833 -10.541 1.00 58.70 N +ATOM 746 CA GLN A 400 2.504 -6.757 -11.682 1.00 59.33 C +ATOM 747 C GLN A 400 3.309 -6.138 -12.818 1.00 59.75 C +ATOM 748 O GLN A 400 3.175 -4.944 -13.090 1.00 59.37 O +ATOM 749 CB GLN A 400 1.065 -6.981 -12.181 1.00 59.78 C +ATOM 750 CG GLN A 400 0.094 -7.642 -11.195 1.00 60.52 C +ATOM 751 CD GLN A 400 0.176 -9.165 -11.203 1.00 61.61 C +ATOM 752 OE1 GLN A 400 1.242 -9.743 -11.433 1.00 63.07 O +ATOM 753 NE2 GLN A 400 -0.958 -9.821 -10.943 1.00 62.27 N +ATOM 754 N VAL A 401 4.130 -6.944 -13.488 1.00 60.34 N +ATOM 755 CA VAL A 401 4.975 -6.450 -14.581 1.00 60.72 C +ATOM 756 C VAL A 401 4.722 -7.190 -15.898 1.00 61.64 C +ATOM 757 O VAL A 401 4.411 -8.394 -15.889 1.00 62.16 O +ATOM 758 CB VAL A 401 6.470 -6.553 -14.228 1.00 60.94 C +ATOM 759 CG1 VAL A 401 6.778 -5.649 -13.048 1.00 60.81 C +ATOM 760 CG2 VAL A 401 6.872 -8.018 -13.949 1.00 60.00 C +ATOM 761 OXT VAL A 401 4.842 -6.599 -16.992 1.00 61.95 O Added: SwiftApps/modFTdock/input/2pnt-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2pnt-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2pnt-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,679 @@ +ATOM 1 N GLN A 97 -28.152 38.341 17.841 1.00 46.05 N +ATOM 2 CA GLN A 97 -26.792 37.941 17.352 1.00 46.72 C +ATOM 3 C GLN A 97 -25.715 37.901 18.471 1.00 46.26 C +ATOM 4 O GLN A 97 -25.437 38.909 19.098 1.00 45.07 O +ATOM 5 CB GLN A 97 -26.358 38.907 16.254 1.00 46.54 C +ATOM 6 CG GLN A 97 -24.953 38.677 15.701 1.00 47.92 C +ATOM 7 CD GLN A 97 -24.690 39.414 14.396 1.00 46.84 C +ATOM 8 OE1 GLN A 97 -23.634 39.985 14.209 1.00 49.74 O +ATOM 9 NE2 GLN A 97 -25.652 39.400 13.497 1.00 48.46 N +ATOM 10 N GLN A 98 -25.098 36.740 18.683 1.00 45.63 N +ATOM 11 CA GLN A 98 -23.855 36.656 19.466 1.00 45.27 C +ATOM 12 C GLN A 98 -22.670 36.593 18.521 1.00 44.70 C +ATOM 13 O GLN A 98 -22.816 36.161 17.381 1.00 43.68 O +ATOM 14 CB GLN A 98 -23.881 35.432 20.358 1.00 45.71 C +ATOM 15 CG GLN A 98 -25.175 35.340 21.172 1.00 48.94 C +ATOM 16 CD GLN A 98 -25.210 34.100 22.025 1.00 54.57 C +ATOM 17 OE1 GLN A 98 -24.405 33.947 22.966 1.00 56.66 O +ATOM 18 NE2 GLN A 98 -26.144 33.186 21.707 1.00 55.71 N +ATOM 19 N ARG A 99 -21.525 37.075 18.998 1.00 43.94 N +ATOM 20 CA ARG A 99 -20.268 37.043 18.287 1.00 44.88 C +ATOM 21 C ARG A 99 -19.179 36.535 19.202 1.00 44.64 C +ATOM 22 O ARG A 99 -19.105 36.925 20.345 1.00 44.71 O +ATOM 23 CB ARG A 99 -19.865 38.431 17.806 1.00 44.80 C +ATOM 24 CG ARG A 99 -20.961 39.127 17.103 1.00 47.98 C +ATOM 25 CD ARG A 99 -20.550 40.477 16.553 1.00 52.05 C +ATOM 26 NE ARG A 99 -21.708 41.170 15.990 1.00 54.04 N +ATOM 27 CZ ARG A 99 -21.653 42.304 15.285 1.00 56.34 C +ATOM 28 NH1 ARG A 99 -20.494 42.910 15.058 1.00 57.64 N +ATOM 29 NH2 ARG A 99 -22.769 42.844 14.807 1.00 56.21 N +ATOM 30 N LYS A 100 -18.320 35.679 18.682 1.00 44.21 N +ATOM 31 CA LYS A 100 -17.236 35.094 19.462 1.00 44.25 C +ATOM 32 C LYS A 100 -16.050 34.807 18.544 1.00 42.76 C +ATOM 33 O LYS A 100 -16.217 34.180 17.503 1.00 42.49 O +ATOM 34 CB LYS A 100 -17.706 33.791 20.084 1.00 44.01 C +ATOM 35 CG LYS A 100 -16.904 33.350 21.291 1.00 46.70 C +ATOM 36 CD LYS A 100 -17.404 31.994 21.807 1.00 47.48 C +ATOM 37 CE LYS A 100 -17.261 31.845 23.298 1.00 51.91 C +ATOM 38 NZ LYS A 100 -18.387 32.568 23.999 1.00 52.96 N +ATOM 39 N VAL A 101 -14.866 35.274 18.911 1.00 40.97 N +ATOM 40 CA VAL A 101 -13.681 34.951 18.158 1.00 40.48 C +ATOM 41 C VAL A 101 -13.061 33.664 18.711 1.00 40.11 C +ATOM 42 O VAL A 101 -12.718 33.568 19.898 1.00 39.62 O +ATOM 43 CB VAL A 101 -12.655 36.095 18.155 1.00 39.93 C +ATOM 44 CG1 VAL A 101 -11.418 35.726 17.305 1.00 41.63 C +ATOM 45 CG2 VAL A 101 -13.267 37.316 17.580 1.00 40.46 C +ATOM 46 N LEU A 102 -12.947 32.678 17.833 1.00 40.03 N +ATOM 47 CA LEU A 102 -12.281 31.404 18.107 1.00 40.13 C +ATOM 48 C LEU A 102 -10.920 31.288 17.442 1.00 40.80 C +ATOM 49 O LEU A 102 -10.694 31.796 16.354 1.00 40.86 O +ATOM 50 CB LEU A 102 -13.110 30.227 17.641 1.00 40.37 C +ATOM 51 CG LEU A 102 -14.402 29.839 18.379 1.00 42.16 C +ATOM 52 CD1 LEU A 102 -14.965 30.979 19.196 1.00 42.11 C +ATOM 53 CD2 LEU A 102 -15.438 29.183 17.426 1.00 37.40 C +ATOM 54 N THR A 103 -10.026 30.589 18.139 1.00 41.32 N +ATOM 55 CA THR A 103 -8.711 30.231 17.649 1.00 41.50 C +ATOM 56 C THR A 103 -8.666 28.715 17.653 1.00 41.32 C +ATOM 57 O THR A 103 -8.705 28.100 18.731 1.00 40.82 O +ATOM 58 CB THR A 103 -7.604 30.806 18.571 1.00 41.58 C +ATOM 59 OG1 THR A 103 -7.762 32.221 18.664 1.00 42.06 O +ATOM 60 CG2 THR A 103 -6.182 30.487 18.071 1.00 41.13 C +ATOM 61 N LEU A 104 -8.618 28.136 16.450 1.00 40.92 N +ATOM 62 CA LEU A 104 -8.463 26.691 16.262 1.00 41.28 C +ATOM 63 C LEU A 104 -6.999 26.373 16.001 1.00 40.34 C +ATOM 64 O LEU A 104 -6.313 27.125 15.310 1.00 41.46 O +ATOM 65 CB LEU A 104 -9.285 26.180 15.073 1.00 40.76 C +ATOM 66 CG LEU A 104 -10.807 26.213 15.124 1.00 41.75 C +ATOM 67 CD1 LEU A 104 -11.319 27.639 15.237 1.00 38.26 C +ATOM 68 CD2 LEU A 104 -11.376 25.533 13.879 1.00 41.91 C +ATOM 69 N GLU A 105 -6.531 25.269 16.550 1.00 40.28 N +ATOM 70 CA GLU A 105 -5.136 24.840 16.361 1.00 40.81 C +ATOM 71 C GLU A 105 -5.118 23.347 16.079 1.00 40.55 C +ATOM 72 O GLU A 105 -5.771 22.588 16.763 1.00 39.01 O +ATOM 73 CB GLU A 105 -4.264 25.160 17.602 1.00 40.54 C +ATOM 74 N LYS A 106 -4.346 22.938 15.073 1.00 41.29 N +ATOM 75 CA LYS A 106 -4.233 21.521 14.727 1.00 41.79 C +ATOM 76 C LYS A 106 -2.775 21.096 14.485 1.00 42.49 C +ATOM 77 O LYS A 106 -1.869 21.936 14.403 1.00 42.39 O +ATOM 78 CB LYS A 106 -5.068 21.237 13.484 1.00 41.32 C +ATOM 79 CG LYS A 106 -4.561 21.939 12.245 1.00 41.52 C +ATOM 80 CD LYS A 106 -5.300 21.530 11.009 1.00 40.91 C +ATOM 81 CE LYS A 106 -4.596 22.047 9.780 1.00 41.62 C +ATOM 82 NZ LYS A 106 -3.270 21.408 9.506 1.00 40.96 N +ATOM 83 N GLU A 107 -2.560 19.794 14.329 1.00 44.14 N +ATOM 84 CA GLU A 107 -1.238 19.299 13.882 1.00 46.12 C +ATOM 85 C GLU A 107 -1.206 19.260 12.369 1.00 46.54 C +ATOM 86 O GLU A 107 -2.252 19.160 11.732 1.00 46.80 O +ATOM 87 CB GLU A 107 -0.965 17.897 14.412 1.00 46.36 C +ATOM 88 CG GLU A 107 -1.072 17.790 15.930 1.00 50.71 C +ATOM 89 CD GLU A 107 0.052 18.515 16.658 1.00 56.11 C +ATOM 90 OE1 GLU A 107 1.100 18.808 16.018 1.00 60.08 O +ATOM 91 OE2 GLU A 107 -0.101 18.766 17.880 1.00 59.65 O +ATOM 92 N ASP A 108 0.004 19.306 11.823 1.00 47.53 N +ATOM 93 CA ASP A 108 0.263 19.274 10.372 1.00 48.58 C +ATOM 94 C ASP A 108 -0.478 18.193 9.598 1.00 48.00 C +ATOM 95 O ASP A 108 -1.042 18.480 8.543 1.00 48.47 O +ATOM 96 CB ASP A 108 1.764 19.098 10.126 1.00 49.33 C +ATOM 97 CG ASP A 108 2.546 20.309 10.538 1.00 53.89 C +ATOM 98 OD1 ASP A 108 2.656 21.259 9.710 1.00 59.23 O +ATOM 99 OD2 ASP A 108 3.015 20.319 11.707 1.00 58.25 O +ATOM 100 N ASN A 109 -0.486 16.977 10.136 1.00 47.61 N +ATOM 101 CA ASN A 109 -1.026 15.798 9.460 1.00 48.30 C +ATOM 102 C ASN A 109 -2.512 15.566 9.784 1.00 48.89 C +ATOM 103 O ASN A 109 -2.954 14.435 10.016 1.00 50.40 O +ATOM 104 CB ASN A 109 -0.223 14.556 9.906 1.00 48.52 C +ATOM 105 N GLN A 110 -3.273 16.640 9.784 1.00 47.96 N +ATOM 106 CA GLN A 110 -4.526 16.692 10.501 1.00 48.09 C +ATOM 107 C GLN A 110 -5.379 17.804 9.872 1.00 45.57 C +ATOM 108 O GLN A 110 -4.841 18.809 9.384 1.00 45.14 O +ATOM 109 CB GLN A 110 -4.190 16.990 11.959 1.00 48.26 C +ATOM 110 CG GLN A 110 -5.254 16.758 12.982 1.00 50.46 C +ATOM 111 CD GLN A 110 -4.650 16.772 14.393 1.00 50.66 C +ATOM 112 OE1 GLN A 110 -4.863 17.702 15.194 1.00 51.34 O +ATOM 113 NE2 GLN A 110 -3.855 15.735 14.687 1.00 56.13 N +ATOM 114 N THR A 111 -6.686 17.589 9.812 1.00 43.95 N +ATOM 115 CA THR A 111 -7.628 18.631 9.363 1.00 42.56 C +ATOM 116 C THR A 111 -8.216 19.310 10.597 1.00 42.15 C +ATOM 117 O THR A 111 -8.046 18.794 11.715 1.00 42.40 O +ATOM 118 CB THR A 111 -8.758 18.050 8.527 1.00 42.12 C +ATOM 119 OG1 THR A 111 -9.517 17.152 9.325 1.00 41.58 O +ATOM 120 CG2 THR A 111 -8.218 17.313 7.340 1.00 42.90 C +ATOM 121 N PHE A 112 -8.876 20.465 10.425 1.00 40.80 N +ATOM 122 CA PHE A 112 -9.532 21.133 11.559 1.00 40.44 C +ATOM 123 C PHE A 112 -10.784 20.403 12.006 1.00 39.49 C +ATOM 124 O PHE A 112 -11.189 20.488 13.170 1.00 39.76 O +ATOM 125 CB PHE A 112 -9.851 22.586 11.240 1.00 40.00 C +ATOM 126 CG PHE A 112 -8.637 23.466 11.209 1.00 41.32 C +ATOM 127 CD1 PHE A 112 -7.945 23.740 12.375 1.00 37.68 C +ATOM 128 CD2 PHE A 112 -8.168 23.998 10.012 1.00 40.10 C +ATOM 129 CE1 PHE A 112 -6.869 24.536 12.348 1.00 37.72 C +ATOM 130 CE2 PHE A 112 -7.078 24.798 9.987 1.00 40.34 C +ATOM 131 CZ PHE A 112 -6.424 25.080 11.161 1.00 40.35 C +ATOM 132 N GLY A 113 -11.371 19.655 11.087 1.00 38.65 N +ATOM 133 CA GLY A 113 -12.528 18.815 11.379 1.00 38.63 C +ATOM 134 C GLY A 113 -13.863 19.537 11.238 1.00 38.33 C +ATOM 135 O GLY A 113 -14.777 19.239 11.968 1.00 39.87 O +ATOM 136 N PHE A 114 -13.991 20.503 10.335 1.00 36.52 N +ATOM 137 CA PHE A 114 -15.326 21.057 10.082 1.00 36.21 C +ATOM 138 C PHE A 114 -15.617 21.228 8.609 1.00 36.01 C +ATOM 139 O PHE A 114 -14.736 21.146 7.797 1.00 36.49 O +ATOM 140 CB PHE A 114 -15.552 22.366 10.815 1.00 35.11 C +ATOM 141 CG PHE A 114 -14.719 23.493 10.324 1.00 35.37 C +ATOM 142 CD1 PHE A 114 -15.271 24.490 9.531 1.00 33.96 C +ATOM 143 CD2 PHE A 114 -13.359 23.575 10.665 1.00 34.98 C +ATOM 144 CE1 PHE A 114 -14.490 25.567 9.107 1.00 32.80 C +ATOM 145 CE2 PHE A 114 -12.611 24.624 10.246 1.00 35.04 C +ATOM 146 CZ PHE A 114 -13.172 25.622 9.461 1.00 34.44 C +ATOM 147 N GLU A 115 -16.876 21.435 8.274 1.00 37.13 N +ATOM 148 CA GLU A 115 -17.272 21.628 6.894 1.00 37.52 C +ATOM 149 C GLU A 115 -18.019 22.919 6.801 1.00 37.28 C +ATOM 150 O GLU A 115 -18.774 23.284 7.736 1.00 38.09 O +ATOM 151 CB GLU A 115 -18.175 20.514 6.410 1.00 37.37 C +ATOM 152 CG GLU A 115 -17.501 19.195 6.408 1.00 41.29 C +ATOM 153 CD GLU A 115 -18.407 18.066 5.975 1.00 45.72 C +ATOM 154 OE1 GLU A 115 -19.308 18.337 5.157 1.00 50.73 O +ATOM 155 OE2 GLU A 115 -18.210 16.915 6.443 1.00 46.30 O +ATOM 156 N ILE A 116 -17.871 23.572 5.651 1.00 36.73 N +ATOM 157 CA ILE A 116 -18.607 24.812 5.380 1.00 36.61 C +ATOM 158 C ILE A 116 -19.397 24.796 4.091 1.00 35.75 C +ATOM 159 O ILE A 116 -19.067 24.072 3.150 1.00 35.29 O +ATOM 160 CB ILE A 116 -17.656 26.049 5.361 1.00 35.76 C +ATOM 161 CG1 ILE A 116 -16.569 25.908 4.293 1.00 37.60 C +ATOM 162 CG2 ILE A 116 -17.002 26.223 6.728 1.00 35.94 C +ATOM 163 CD1 ILE A 116 -15.708 27.244 4.045 1.00 35.83 C +ATOM 164 N GLN A 117 -20.414 25.654 4.063 1.00 35.09 N +ATOM 165 CA GLN A 117 -21.197 25.945 2.877 1.00 34.56 C +ATOM 166 C GLN A 117 -21.350 27.449 2.796 1.00 34.21 C +ATOM 167 O GLN A 117 -21.232 28.141 3.798 1.00 34.50 O +ATOM 168 CB GLN A 117 -22.563 25.295 2.955 1.00 34.17 C +ATOM 169 CG GLN A 117 -22.544 23.777 2.823 1.00 34.46 C +ATOM 170 CD GLN A 117 -23.871 23.162 3.204 1.00 34.81 C +ATOM 171 OE1 GLN A 117 -24.893 23.861 3.362 1.00 36.72 O +ATOM 172 NE2 GLN A 117 -23.863 21.878 3.413 1.00 37.12 N +ATOM 173 N THR A 118 -21.587 27.955 1.597 1.00 34.76 N +ATOM 174 CA THR A 118 -21.719 29.396 1.363 1.00 34.96 C +ATOM 175 C THR A 118 -23.055 29.641 0.725 1.00 35.53 C +ATOM 176 O THR A 118 -23.336 29.108 -0.331 1.00 35.46 O +ATOM 177 CB THR A 118 -20.609 29.922 0.452 1.00 35.24 C +ATOM 178 OG1 THR A 118 -19.365 29.655 1.085 1.00 34.41 O +ATOM 179 CG2 THR A 118 -20.765 31.444 0.127 1.00 34.43 C +ATOM 180 N TYR A 119 -23.880 30.436 1.379 1.00 36.79 N +ATOM 181 CA TYR A 119 -25.222 30.742 0.898 1.00 38.09 C +ATOM 182 C TYR A 119 -25.280 32.130 0.227 1.00 39.52 C +ATOM 183 O TYR A 119 -24.838 33.106 0.805 1.00 39.48 O +ATOM 184 CB TYR A 119 -26.180 30.725 2.103 1.00 38.32 C +ATOM 185 CG TYR A 119 -27.635 30.510 1.754 1.00 37.84 C +ATOM 186 CD1 TYR A 119 -28.275 29.304 2.065 1.00 39.82 C +ATOM 187 CD2 TYR A 119 -28.370 31.473 1.094 1.00 40.41 C +ATOM 188 CE1 TYR A 119 -29.624 29.090 1.757 1.00 38.30 C +ATOM 189 CE2 TYR A 119 -29.738 31.261 0.766 1.00 39.81 C +ATOM 190 CZ TYR A 119 -30.351 30.061 1.105 1.00 38.86 C +ATOM 191 OH TYR A 119 -31.692 29.816 0.784 1.00 39.32 O +ATOM 192 N GLY A 120 -25.832 32.211 -0.985 1.00 41.77 N +ATOM 193 CA GLY A 120 -26.065 33.479 -1.678 1.00 43.10 C +ATOM 194 C GLY A 120 -27.357 34.099 -1.196 1.00 45.52 C +ATOM 195 O GLY A 120 -28.403 33.867 -1.763 1.00 45.04 O +ATOM 196 N LEU A 121 -27.279 34.862 -0.112 1.00 48.99 N +ATOM 197 CA LEU A 121 -28.456 35.499 0.466 1.00 51.76 C +ATOM 198 C LEU A 121 -28.979 36.635 -0.397 1.00 53.73 C +ATOM 199 O LEU A 121 -28.252 37.201 -1.200 1.00 54.77 O +ATOM 200 CB LEU A 121 -28.155 36.064 1.850 1.00 51.88 C +ATOM 201 CG LEU A 121 -28.231 35.162 3.070 1.00 53.29 C +ATOM 202 CD1 LEU A 121 -28.216 36.074 4.305 1.00 54.85 C +ATOM 203 CD2 LEU A 121 -29.449 34.213 3.092 1.00 53.60 C +ATOM 204 N HIS A 122 -30.252 36.969 -0.195 1.00 56.46 N +ATOM 205 CA HIS A 122 -30.936 38.051 -0.914 1.00 58.13 C +ATOM 206 C HIS A 122 -31.493 39.088 0.076 1.00 58.64 C +ATOM 207 O HIS A 122 -31.865 40.202 -0.325 1.00 59.75 O +ATOM 208 CB HIS A 122 -32.068 37.496 -1.793 1.00 58.86 C +ATOM 209 CG HIS A 122 -31.585 36.763 -3.009 1.00 61.52 C +ATOM 210 ND1 HIS A 122 -31.121 37.418 -4.131 1.00 65.25 N +ATOM 211 CD2 HIS A 122 -31.501 35.438 -3.289 1.00 63.75 C +ATOM 212 CE1 HIS A 122 -30.770 36.528 -5.047 1.00 65.23 C +ATOM 213 NE2 HIS A 122 -30.993 35.318 -4.561 1.00 64.00 N +ATOM 214 N VAL A 129 -26.837 39.479 -4.303 1.00 56.66 N +ATOM 215 CA VAL A 129 -26.429 38.286 -3.549 1.00 56.16 C +ATOM 216 C VAL A 129 -25.297 38.630 -2.581 1.00 55.19 C +ATOM 217 O VAL A 129 -24.220 39.072 -3.011 1.00 56.33 O +ATOM 218 CB VAL A 129 -25.911 37.136 -4.474 1.00 56.43 C +ATOM 219 N GLU A 130 -25.548 38.454 -1.286 1.00 52.83 N +ATOM 220 CA GLU A 130 -24.479 38.441 -0.303 1.00 51.29 C +ATOM 221 C GLU A 130 -24.129 37.005 0.099 1.00 48.01 C +ATOM 222 O GLU A 130 -24.933 36.327 0.736 1.00 47.88 O +ATOM 223 CB GLU A 130 -24.870 39.228 0.943 1.00 51.62 C +ATOM 224 CG GLU A 130 -23.662 39.413 1.872 1.00 55.37 C +ATOM 225 CD GLU A 130 -24.020 39.871 3.258 1.00 60.90 C +ATOM 226 OE1 GLU A 130 -25.173 40.331 3.470 1.00 66.12 O +ATOM 227 OE2 GLU A 130 -23.128 39.766 4.144 1.00 65.94 O +ATOM 228 N MET A 131 -22.935 36.571 -0.264 1.00 45.28 N +ATOM 229 CA MET A 131 -22.408 35.312 0.184 1.00 44.29 C +ATOM 230 C MET A 131 -22.185 35.337 1.711 1.00 42.55 C +ATOM 231 O MET A 131 -21.412 36.162 2.216 1.00 43.11 O +ATOM 232 CB MET A 131 -21.058 35.021 -0.467 1.00 44.26 C +ATOM 233 CG MET A 131 -20.984 34.941 -1.977 1.00 46.16 C +ATOM 234 SD MET A 131 -22.362 34.155 -2.788 1.00 50.60 S +ATOM 235 CE MET A 131 -22.133 32.425 -2.576 1.00 49.12 C +ATOM 236 N VAL A 132 -22.847 34.430 2.416 1.00 39.63 N +ATOM 237 CA VAL A 132 -22.560 34.138 3.809 1.00 37.58 C +ATOM 238 C VAL A 132 -22.101 32.690 3.935 1.00 37.35 C +ATOM 239 O VAL A 132 -22.774 31.766 3.513 1.00 36.93 O +ATOM 240 CB VAL A 132 -23.825 34.374 4.669 1.00 38.15 C +ATOM 241 CG1 VAL A 132 -23.578 34.033 6.175 1.00 35.17 C +ATOM 242 CG2 VAL A 132 -24.318 35.829 4.461 1.00 36.39 C +ATOM 243 N THR A 133 -20.958 32.500 4.556 1.00 36.53 N +ATOM 244 CA THR A 133 -20.394 31.208 4.754 1.00 36.70 C +ATOM 245 C THR A 133 -20.620 30.796 6.192 1.00 36.59 C +ATOM 246 O THR A 133 -20.343 31.569 7.109 1.00 38.01 O +ATOM 247 CB THR A 133 -18.902 31.233 4.445 1.00 36.51 C +ATOM 248 OG1 THR A 133 -18.743 31.409 3.041 1.00 35.90 O +ATOM 249 CG2 THR A 133 -18.270 29.940 4.874 1.00 36.51 C +ATOM 250 N PHE A 134 -21.118 29.585 6.390 1.00 35.88 N +ATOM 251 CA PHE A 134 -21.430 29.072 7.723 1.00 35.19 C +ATOM 252 C PHE A 134 -20.958 27.615 7.856 1.00 35.26 C +ATOM 253 O PHE A 134 -20.698 26.951 6.853 1.00 34.71 O +ATOM 254 CB PHE A 134 -22.919 29.144 7.965 1.00 34.72 C +ATOM 255 CG PHE A 134 -23.747 28.342 6.966 1.00 33.88 C +ATOM 256 CD1 PHE A 134 -23.987 28.822 5.686 1.00 35.73 C +ATOM 257 CD2 PHE A 134 -24.233 27.110 7.295 1.00 36.41 C +ATOM 258 CE1 PHE A 134 -24.666 28.082 4.781 1.00 35.73 C +ATOM 259 CE2 PHE A 134 -24.955 26.394 6.407 1.00 36.71 C +ATOM 260 CZ PHE A 134 -25.178 26.897 5.137 1.00 35.41 C +ATOM 261 N VAL A 135 -20.877 27.134 9.090 1.00 34.77 N +ATOM 262 CA VAL A 135 -20.451 25.799 9.385 1.00 34.98 C +ATOM 263 C VAL A 135 -21.648 24.841 9.248 1.00 36.71 C +ATOM 264 O VAL A 135 -22.659 24.997 9.923 1.00 36.33 O +ATOM 265 CB VAL A 135 -19.839 25.716 10.824 1.00 35.03 C +ATOM 266 CG1 VAL A 135 -19.363 24.274 11.157 1.00 33.03 C +ATOM 267 CG2 VAL A 135 -18.690 26.779 11.028 1.00 32.94 C +ATOM 268 N CYS A 136 -21.523 23.822 8.397 1.00 38.40 N +ATOM 269 CA CYS A 136 -22.599 22.868 8.223 1.00 38.86 C +ATOM 270 C CYS A 136 -22.387 21.597 9.081 1.00 41.12 C +ATOM 271 O CYS A 136 -23.364 20.970 9.465 1.00 41.71 O +ATOM 272 CB CYS A 136 -22.824 22.530 6.751 1.00 38.64 C +ATOM 273 SG CYS A 136 -21.408 21.887 5.835 1.00 37.38 S +ATOM 274 N ARG A 137 -21.127 21.230 9.354 1.00 42.61 N +ATOM 275 CA ARG A 137 -20.784 20.060 10.177 1.00 43.39 C +ATOM 276 C ARG A 137 -19.503 20.299 10.983 1.00 43.52 C +ATOM 277 O ARG A 137 -18.586 20.995 10.527 1.00 41.09 O +ATOM 278 CB ARG A 137 -20.600 18.827 9.303 1.00 44.03 C +ATOM 279 CG ARG A 137 -21.770 18.566 8.308 1.00 45.92 C +ATOM 280 CD ARG A 137 -21.570 17.262 7.519 1.00 46.51 C +ATOM 281 NE ARG A 137 -22.622 16.990 6.526 1.00 49.36 N +ATOM 282 CZ ARG A 137 -22.788 17.631 5.360 1.00 52.32 C +ATOM 283 NH1 ARG A 137 -23.785 17.288 4.540 1.00 50.75 N +ATOM 284 NH2 ARG A 137 -21.997 18.627 5.006 1.00 53.11 N +ATOM 285 N VAL A 138 -19.466 19.748 12.201 1.00 44.03 N +ATOM 286 CA VAL A 138 -18.252 19.718 13.021 1.00 45.21 C +ATOM 287 C VAL A 138 -18.023 18.323 13.602 1.00 46.87 C +ATOM 288 O VAL A 138 -18.854 17.839 14.350 1.00 47.36 O +ATOM 289 CB VAL A 138 -18.349 20.704 14.191 1.00 45.54 C +ATOM 290 CG1 VAL A 138 -17.097 20.599 15.112 1.00 42.62 C +ATOM 291 CG2 VAL A 138 -18.591 22.138 13.683 1.00 43.80 C +ATOM 292 N HIS A 139 -16.901 17.679 13.292 1.00 48.32 N +ATOM 293 CA HIS A 139 -16.696 16.297 13.768 1.00 49.45 C +ATOM 294 C HIS A 139 -16.312 16.308 15.220 1.00 49.19 C +ATOM 295 O HIS A 139 -15.597 17.192 15.665 1.00 49.12 O +ATOM 296 CB HIS A 139 -15.615 15.559 12.996 1.00 50.57 C +ATOM 297 CG HIS A 139 -15.683 15.747 11.510 1.00 54.09 C +ATOM 298 ND1 HIS A 139 -16.755 15.338 10.752 1.00 58.48 N +ATOM 299 CD2 HIS A 139 -14.785 16.268 10.637 1.00 58.19 C +ATOM 300 CE1 HIS A 139 -16.534 15.636 9.479 1.00 60.47 C +ATOM 301 NE2 HIS A 139 -15.337 16.185 9.379 1.00 59.49 N +ATOM 302 N GLU A 140 -16.772 15.307 15.957 1.00 49.50 N +ATOM 303 CA GLU A 140 -16.527 15.241 17.412 1.00 49.66 C +ATOM 304 C GLU A 140 -15.038 15.188 17.815 1.00 48.97 C +ATOM 305 O GLU A 140 -14.218 14.540 17.168 1.00 48.93 O +ATOM 306 CB GLU A 140 -17.264 14.051 18.046 1.00 49.71 C +ATOM 307 CG GLU A 140 -17.233 14.056 19.576 1.00 50.80 C +ATOM 308 N SER A 141 -14.726 15.907 18.893 1.00 48.42 N +ATOM 309 CA SER A 141 -13.394 15.945 19.498 1.00 48.08 C +ATOM 310 C SER A 141 -12.315 16.429 18.507 1.00 46.80 C +ATOM 311 O SER A 141 -11.146 16.172 18.686 1.00 45.78 O +ATOM 312 CB SER A 141 -13.059 14.577 20.147 1.00 48.81 C +ATOM 313 OG SER A 141 -12.566 13.641 19.198 1.00 50.65 O +ATOM 314 N SER A 142 -12.735 17.185 17.488 1.00 45.55 N +ATOM 315 CA SER A 142 -11.808 17.725 16.511 1.00 44.03 C +ATOM 316 C SER A 142 -11.242 19.046 17.028 1.00 43.38 C +ATOM 317 O SER A 142 -11.836 19.691 17.892 1.00 42.27 O +ATOM 318 CB SER A 142 -12.548 17.974 15.223 1.00 43.98 C +ATOM 319 OG SER A 142 -13.473 19.047 15.396 1.00 44.17 O +ATOM 320 N PRO A 143 -10.123 19.495 16.444 1.00 42.78 N +ATOM 321 CA PRO A 143 -9.613 20.835 16.764 1.00 42.46 C +ATOM 322 C PRO A 143 -10.704 21.916 16.746 1.00 41.44 C +ATOM 323 O PRO A 143 -10.700 22.808 17.598 1.00 41.94 O +ATOM 324 CB PRO A 143 -8.565 21.077 15.668 1.00 42.64 C +ATOM 325 CG PRO A 143 -8.094 19.693 15.308 1.00 43.71 C +ATOM 326 CD PRO A 143 -9.305 18.810 15.423 1.00 42.77 C +ATOM 327 N ALA A 144 -11.639 21.792 15.806 1.00 40.66 N +ATOM 328 CA ALA A 144 -12.795 22.687 15.650 1.00 40.22 C +ATOM 329 C ALA A 144 -13.748 22.666 16.864 1.00 39.86 C +ATOM 330 O ALA A 144 -14.106 23.718 17.434 1.00 39.47 O +ATOM 331 CB ALA A 144 -13.568 22.313 14.364 1.00 40.19 C +ATOM 332 N GLN A 145 -14.174 21.465 17.214 1.00 39.59 N +ATOM 333 CA GLN A 145 -15.053 21.243 18.322 1.00 40.90 C +ATOM 334 C GLN A 145 -14.453 21.830 19.627 1.00 39.91 C +ATOM 335 O GLN A 145 -15.106 22.609 20.318 1.00 39.21 O +ATOM 336 CB GLN A 145 -15.320 19.746 18.475 1.00 41.54 C +ATOM 337 CG GLN A 145 -16.224 19.439 19.636 1.00 45.98 C +ATOM 338 CD GLN A 145 -17.070 18.176 19.405 1.00 53.58 C +ATOM 339 OE1 GLN A 145 -16.765 17.101 19.956 1.00 57.12 O +ATOM 340 NE2 GLN A 145 -18.135 18.302 18.578 1.00 54.88 N +ATOM 341 N LEU A 146 -13.212 21.467 19.906 1.00 38.95 N +ATOM 342 CA LEU A 146 -12.495 21.899 21.106 1.00 38.91 C +ATOM 343 C LEU A 146 -12.299 23.412 21.206 1.00 38.39 C +ATOM 344 O LEU A 146 -12.273 23.960 22.292 1.00 38.07 O +ATOM 345 CB LEU A 146 -11.116 21.247 21.134 1.00 38.97 C +ATOM 346 CG LEU A 146 -11.063 19.736 21.304 1.00 39.94 C +ATOM 347 CD1 LEU A 146 -9.580 19.345 21.378 1.00 38.23 C +ATOM 348 CD2 LEU A 146 -11.838 19.279 22.547 1.00 40.94 C +ATOM 349 N ALA A 147 -12.144 24.071 20.066 1.00 37.74 N +ATOM 350 CA ALA A 147 -12.106 25.524 20.021 1.00 38.25 C +ATOM 351 C ALA A 147 -13.505 26.151 20.249 1.00 37.88 C +ATOM 352 O ALA A 147 -13.596 27.342 20.443 1.00 37.71 O +ATOM 353 CB ALA A 147 -11.516 26.003 18.688 1.00 37.67 C +ATOM 354 N GLY A 148 -14.574 25.345 20.203 1.00 37.05 N +ATOM 355 CA GLY A 148 -15.931 25.825 20.394 1.00 36.64 C +ATOM 356 C GLY A 148 -16.790 26.005 19.130 1.00 36.67 C +ATOM 357 O GLY A 148 -17.970 26.393 19.199 1.00 36.77 O +ATOM 358 N LEU A 149 -16.241 25.696 17.972 1.00 36.47 N +ATOM 359 CA LEU A 149 -17.009 25.785 16.729 1.00 36.22 C +ATOM 360 C LEU A 149 -18.222 24.873 16.705 1.00 35.90 C +ATOM 361 O LEU A 149 -18.129 23.716 17.084 1.00 36.37 O +ATOM 362 CB LEU A 149 -16.119 25.460 15.522 1.00 36.16 C +ATOM 363 CG LEU A 149 -16.656 25.971 14.209 1.00 35.88 C +ATOM 364 CD1 LEU A 149 -16.671 27.519 14.241 1.00 35.79 C +ATOM 365 CD2 LEU A 149 -15.779 25.494 13.077 1.00 38.33 C +ATOM 366 N THR A 150 -19.336 25.419 16.220 1.00 36.12 N +ATOM 367 CA THR A 150 -20.633 24.785 16.246 1.00 35.91 C +ATOM 368 C THR A 150 -21.345 24.887 14.863 1.00 36.84 C +ATOM 369 O THR A 150 -21.342 25.967 14.224 1.00 36.95 O +ATOM 370 CB THR A 150 -21.526 25.485 17.305 1.00 36.57 C +ATOM 371 OG1 THR A 150 -20.849 25.537 18.602 1.00 36.53 O +ATOM 372 CG2 THR A 150 -22.891 24.784 17.441 1.00 34.17 C +ATOM 373 N PRO A 151 -22.007 23.805 14.433 1.00 36.34 N +ATOM 374 CA PRO A 151 -22.873 23.845 13.279 1.00 37.36 C +ATOM 375 C PRO A 151 -23.847 25.033 13.352 1.00 37.16 C +ATOM 376 O PRO A 151 -24.408 25.355 14.413 1.00 37.15 O +ATOM 377 CB PRO A 151 -23.670 22.542 13.390 1.00 37.23 C +ATOM 378 CG PRO A 151 -22.794 21.650 14.131 1.00 38.40 C +ATOM 379 CD PRO A 151 -22.079 22.493 15.112 1.00 37.51 C +ATOM 380 N GLY A 152 -24.027 25.697 12.235 1.00 37.45 N +ATOM 381 CA GLY A 152 -24.845 26.887 12.196 1.00 37.37 C +ATOM 382 C GLY A 152 -24.086 28.168 12.472 1.00 37.63 C +ATOM 383 O GLY A 152 -24.646 29.246 12.308 1.00 38.64 O +ATOM 384 N ASP A 153 -22.841 28.089 12.916 1.00 37.63 N +ATOM 385 CA ASP A 153 -22.072 29.300 13.124 1.00 38.36 C +ATOM 386 C ASP A 153 -21.785 29.945 11.735 1.00 38.87 C +ATOM 387 O ASP A 153 -21.309 29.272 10.824 1.00 38.70 O +ATOM 388 CB ASP A 153 -20.719 28.993 13.800 1.00 38.60 C +ATOM 389 CG ASP A 153 -20.825 28.700 15.318 1.00 38.69 C +ATOM 390 OD1 ASP A 153 -21.889 28.869 15.943 1.00 37.85 O +ATOM 391 OD2 ASP A 153 -19.788 28.305 15.884 1.00 36.84 O +ATOM 392 N THR A 154 -22.050 31.228 11.586 1.00 38.39 N +ATOM 393 CA THR A 154 -21.557 31.962 10.429 1.00 37.98 C +ATOM 394 C THR A 154 -20.129 32.312 10.712 1.00 37.88 C +ATOM 395 O THR A 154 -19.813 32.713 11.829 1.00 36.09 O +ATOM 396 CB THR A 154 -22.353 33.286 10.224 1.00 38.52 C +ATOM 397 OG1 THR A 154 -23.700 32.963 9.931 1.00 36.55 O +ATOM 398 CG2 THR A 154 -21.735 34.208 9.158 1.00 34.08 C +ATOM 399 N ILE A 155 -19.261 32.159 9.704 1.00 37.87 N +ATOM 400 CA ILE A 155 -17.894 32.666 9.797 1.00 37.63 C +ATOM 401 C ILE A 155 -17.849 34.023 9.161 1.00 37.20 C +ATOM 402 O ILE A 155 -17.993 34.155 7.949 1.00 38.43 O +ATOM 403 CB ILE A 155 -16.898 31.726 9.104 1.00 37.90 C +ATOM 404 CG1 ILE A 155 -16.993 30.315 9.723 1.00 38.62 C +ATOM 405 CG2 ILE A 155 -15.514 32.345 9.123 1.00 36.86 C +ATOM 406 CD1 ILE A 155 -16.107 29.197 9.038 1.00 39.69 C +ATOM 407 N ALA A 156 -17.616 35.048 9.964 1.00 37.04 N +ATOM 408 CA ALA A 156 -17.631 36.430 9.500 1.00 37.36 C +ATOM 409 C ALA A 156 -16.220 36.950 9.143 1.00 37.88 C +ATOM 410 O ALA A 156 -16.048 37.802 8.257 1.00 37.57 O +ATOM 411 CB ALA A 156 -18.300 37.308 10.570 1.00 36.29 C +ATOM 412 N SER A 157 -15.220 36.444 9.846 1.00 39.24 N +ATOM 413 CA SER A 157 -13.834 36.831 9.632 1.00 40.38 C +ATOM 414 C SER A 157 -12.929 35.647 9.782 1.00 40.19 C +ATOM 415 O SER A 157 -13.193 34.785 10.577 1.00 39.50 O +ATOM 416 CB SER A 157 -13.336 37.868 10.661 1.00 41.19 C +ATOM 417 OG SER A 157 -14.115 39.040 10.674 1.00 46.42 O +ATOM 418 N VAL A 158 -11.815 35.683 9.055 1.00 41.50 N +ATOM 419 CA VAL A 158 -10.706 34.720 9.204 1.00 42.74 C +ATOM 420 C VAL A 158 -9.405 35.550 9.300 1.00 43.24 C +ATOM 421 O VAL A 158 -9.053 36.283 8.362 1.00 43.87 O +ATOM 422 CB VAL A 158 -10.594 33.691 7.994 1.00 42.62 C +ATOM 423 CG1 VAL A 158 -9.426 32.670 8.246 1.00 41.78 C +ATOM 424 CG2 VAL A 158 -11.916 32.951 7.742 1.00 39.83 C +ATOM 425 N ASN A 159 -8.741 35.446 10.444 1.00 44.21 N +ATOM 426 CA ASN A 159 -7.575 36.244 10.798 1.00 44.61 C +ATOM 427 C ASN A 159 -7.763 37.739 10.492 1.00 45.27 C +ATOM 428 O ASN A 159 -6.909 38.372 9.857 1.00 45.83 O +ATOM 429 CB ASN A 159 -6.330 35.718 10.072 1.00 44.90 C +ATOM 430 CG ASN A 159 -6.071 34.224 10.313 1.00 46.14 C +ATOM 431 OD1 ASN A 159 -6.666 33.596 11.195 1.00 44.53 O +ATOM 432 ND2 ASN A 159 -5.160 33.657 9.516 1.00 48.93 N +ATOM 433 N GLY A 160 -8.883 38.300 10.923 1.00 45.59 N +ATOM 434 CA GLY A 160 -9.169 39.701 10.670 1.00 45.72 C +ATOM 435 C GLY A 160 -9.416 40.034 9.207 1.00 46.57 C +ATOM 436 O GLY A 160 -9.407 41.214 8.840 1.00 47.83 O +ATOM 437 N LEU A 161 -9.618 39.037 8.345 1.00 45.84 N +ATOM 438 CA LEU A 161 -10.140 39.353 7.021 1.00 46.45 C +ATOM 439 C LEU A 161 -11.644 39.178 7.125 1.00 46.13 C +ATOM 440 O LEU A 161 -12.113 38.147 7.594 1.00 45.79 O +ATOM 441 CB LEU A 161 -9.585 38.462 5.902 1.00 46.12 C +ATOM 442 CG LEU A 161 -8.068 38.449 5.712 1.00 48.44 C +ATOM 443 CD1 LEU A 161 -7.641 37.157 4.966 1.00 50.51 C +ATOM 444 CD2 LEU A 161 -7.596 39.672 4.950 1.00 48.84 C +ATOM 445 N ASN A 162 -12.374 40.192 6.680 1.00 45.57 N +ATOM 446 CA ASN A 162 -13.793 40.116 6.562 1.00 45.46 C +ATOM 447 C ASN A 162 -14.129 39.157 5.450 1.00 44.73 C +ATOM 448 O ASN A 162 -13.896 39.474 4.308 1.00 45.34 O +ATOM 449 CB ASN A 162 -14.367 41.509 6.261 1.00 45.77 C +ATOM 450 CG ASN A 162 -15.859 41.486 6.010 1.00 46.52 C +ATOM 451 OD1 ASN A 162 -16.546 40.559 6.405 1.00 46.78 O +ATOM 452 ND2 ASN A 162 -16.370 42.518 5.338 1.00 50.38 N +ATOM 453 N VAL A 163 -14.727 38.009 5.770 1.00 43.36 N +ATOM 454 CA VAL A 163 -15.051 37.021 4.737 1.00 42.64 C +ATOM 455 C VAL A 163 -16.517 37.066 4.309 1.00 43.55 C +ATOM 456 O VAL A 163 -16.955 36.284 3.463 1.00 44.12 O +ATOM 457 CB VAL A 163 -14.604 35.558 5.135 1.00 41.50 C +ATOM 458 CG1 VAL A 163 -13.090 35.494 5.149 1.00 41.31 C +ATOM 459 CG2 VAL A 163 -15.129 35.130 6.456 1.00 39.80 C +ATOM 460 N GLU A 164 -17.282 37.990 4.863 1.00 43.75 N +ATOM 461 CA GLU A 164 -18.645 38.196 4.358 1.00 44.25 C +ATOM 462 C GLU A 164 -18.544 38.711 2.946 1.00 43.58 C +ATOM 463 O GLU A 164 -17.713 39.584 2.662 1.00 42.34 O +ATOM 464 CB GLU A 164 -19.418 39.199 5.208 1.00 44.69 C +ATOM 465 CG GLU A 164 -19.550 38.769 6.651 1.00 47.10 C +ATOM 466 CD GLU A 164 -20.733 39.436 7.356 1.00 50.48 C +ATOM 467 OE1 GLU A 164 -21.238 40.453 6.827 1.00 54.75 O +ATOM 468 OE2 GLU A 164 -21.153 38.953 8.432 1.00 49.23 O +ATOM 469 N GLY A 165 -19.366 38.150 2.057 1.00 43.22 N +ATOM 470 CA GLY A 165 -19.377 38.555 0.659 1.00 42.89 C +ATOM 471 C GLY A 165 -18.370 37.805 -0.177 1.00 43.33 C +ATOM 472 O GLY A 165 -18.381 37.926 -1.391 1.00 43.91 O +ATOM 473 N ILE A 166 -17.490 37.021 0.455 1.00 43.58 N +ATOM 474 CA ILE A 166 -16.486 36.247 -0.289 1.00 43.19 C +ATOM 475 C ILE A 166 -17.066 34.922 -0.796 1.00 42.91 C +ATOM 476 O ILE A 166 -17.924 34.297 -0.141 1.00 40.73 O +ATOM 477 CB ILE A 166 -15.206 36.023 0.556 1.00 44.03 C +ATOM 478 CG1 ILE A 166 -14.440 37.343 0.713 1.00 43.43 C +ATOM 479 CG2 ILE A 166 -14.231 35.016 -0.080 1.00 44.75 C +ATOM 480 CD1 ILE A 166 -13.126 37.126 1.480 1.00 44.46 C +ATOM 481 N ARG A 167 -16.610 34.523 -1.985 1.00 42.20 N +ATOM 482 CA ARG A 167 -17.102 33.294 -2.615 1.00 42.20 C +ATOM 483 C ARG A 167 -16.498 32.075 -1.975 1.00 40.62 C +ATOM 484 O ARG A 167 -15.427 32.150 -1.345 1.00 40.78 O +ATOM 485 CB ARG A 167 -16.821 33.281 -4.126 1.00 42.44 C +ATOM 486 CG ARG A 167 -15.370 32.966 -4.502 1.00 44.67 C +ATOM 487 N HIS A 168 -17.186 30.962 -2.176 1.00 40.28 N +ATOM 488 CA HIS A 168 -16.916 29.734 -1.462 1.00 40.58 C +ATOM 489 C HIS A 168 -15.492 29.262 -1.682 1.00 40.78 C +ATOM 490 O HIS A 168 -14.792 28.938 -0.739 1.00 40.31 O +ATOM 491 CB HIS A 168 -17.898 28.663 -1.890 1.00 41.11 C +ATOM 492 CG HIS A 168 -17.744 27.380 -1.145 1.00 39.94 C +ATOM 493 ND1 HIS A 168 -18.163 27.231 0.154 1.00 41.47 N +ATOM 494 CD2 HIS A 168 -17.187 26.202 -1.503 1.00 41.49 C +ATOM 495 CE1 HIS A 168 -17.902 25.998 0.554 1.00 44.08 C +ATOM 496 NE2 HIS A 168 -17.291 25.356 -0.424 1.00 41.39 N +ATOM 497 N ARG A 169 -15.038 29.274 -2.932 1.00 41.83 N +ATOM 498 CA ARG A 169 -13.680 28.784 -3.223 1.00 41.69 C +ATOM 499 C ARG A 169 -12.608 29.615 -2.525 1.00 41.33 C +ATOM 500 O ARG A 169 -11.632 29.059 -2.040 1.00 41.67 O +ATOM 501 CB ARG A 169 -13.426 28.704 -4.749 1.00 42.41 C +ATOM 502 N GLU A 170 -12.780 30.932 -2.473 1.00 41.42 N +ATOM 503 CA GLU A 170 -11.809 31.803 -1.842 1.00 42.31 C +ATOM 504 C GLU A 170 -11.711 31.570 -0.349 1.00 42.72 C +ATOM 505 O GLU A 170 -10.593 31.630 0.209 1.00 43.23 O +ATOM 506 CB GLU A 170 -12.142 33.288 -2.065 1.00 42.48 C +ATOM 507 CG GLU A 170 -12.138 33.689 -3.504 1.00 44.62 C +ATOM 508 CD GLU A 170 -12.145 35.197 -3.768 1.00 44.26 C +ATOM 509 OE1 GLU A 170 -12.242 35.537 -4.955 1.00 49.69 O +ATOM 510 OE2 GLU A 170 -12.025 36.014 -2.837 1.00 46.84 O +ATOM 511 N ILE A 171 -12.857 31.375 0.320 1.00 42.77 N +ATOM 512 CA ILE A 171 -12.837 31.142 1.777 1.00 43.18 C +ATOM 513 C ILE A 171 -12.198 29.798 2.098 1.00 41.37 C +ATOM 514 O ILE A 171 -11.482 29.690 3.084 1.00 40.59 O +ATOM 515 CB ILE A 171 -14.221 31.230 2.464 1.00 44.35 C +ATOM 516 CG1 ILE A 171 -14.911 32.505 2.047 1.00 46.96 C +ATOM 517 CG2 ILE A 171 -14.071 31.351 4.013 1.00 43.05 C +ATOM 518 CD1 ILE A 171 -16.099 32.927 2.961 1.00 46.64 C +ATOM 519 N VAL A 172 -12.401 28.806 1.234 1.00 40.99 N +ATOM 520 CA VAL A 172 -11.732 27.525 1.398 1.00 40.68 C +ATOM 521 C VAL A 172 -10.210 27.686 1.277 1.00 40.68 C +ATOM 522 O VAL A 172 -9.470 27.165 2.101 1.00 40.45 O +ATOM 523 CB VAL A 172 -12.284 26.432 0.453 1.00 41.33 C +ATOM 524 CG1 VAL A 172 -11.398 25.174 0.501 1.00 38.08 C +ATOM 525 CG2 VAL A 172 -13.737 26.059 0.846 1.00 40.19 C +ATOM 526 N ASP A 173 -9.776 28.435 0.274 1.00 41.01 N +ATOM 527 CA ASP A 173 -8.356 28.729 0.040 1.00 41.20 C +ATOM 528 C ASP A 173 -7.768 29.562 1.182 1.00 41.24 C +ATOM 529 O ASP A 173 -6.674 29.289 1.682 1.00 40.52 O +ATOM 530 CB ASP A 173 -8.194 29.527 -1.237 1.00 41.27 C +ATOM 531 CG ASP A 173 -8.484 28.717 -2.494 1.00 43.18 C +ATOM 532 OD1 ASP A 173 -8.648 27.472 -2.445 1.00 46.20 O +ATOM 533 OD2 ASP A 173 -8.579 29.339 -3.572 1.00 46.84 O +ATOM 534 N ILE A 174 -8.520 30.565 1.618 1.00 40.65 N +ATOM 535 CA ILE A 174 -8.114 31.315 2.774 1.00 40.48 C +ATOM 536 C ILE A 174 -7.860 30.426 3.982 1.00 39.91 C +ATOM 537 O ILE A 174 -6.838 30.550 4.635 1.00 41.10 O +ATOM 538 CB ILE A 174 -9.121 32.384 3.137 1.00 39.47 C +ATOM 539 CG1 ILE A 174 -8.995 33.543 2.188 1.00 40.42 C +ATOM 540 CG2 ILE A 174 -8.875 32.854 4.538 1.00 38.76 C +ATOM 541 CD1 ILE A 174 -10.149 34.524 2.303 1.00 39.84 C +ATOM 542 N ILE A 175 -8.767 29.507 4.268 1.00 40.04 N +ATOM 543 CA ILE A 175 -8.637 28.687 5.477 1.00 39.74 C +ATOM 544 C ILE A 175 -7.457 27.752 5.327 1.00 40.32 C +ATOM 545 O ILE A 175 -6.702 27.544 6.280 1.00 37.97 O +ATOM 546 CB ILE A 175 -9.955 27.946 5.821 1.00 39.27 C +ATOM 547 CG1 ILE A 175 -11.046 28.953 6.191 1.00 38.60 C +ATOM 548 CG2 ILE A 175 -9.783 26.977 6.984 1.00 39.00 C +ATOM 549 CD1 ILE A 175 -12.437 28.381 6.209 1.00 40.69 C +ATOM 550 N LYS A 176 -7.311 27.185 4.127 1.00 41.44 N +ATOM 551 CA LYS A 176 -6.205 26.283 3.832 1.00 43.54 C +ATOM 552 C LYS A 176 -4.855 26.995 3.894 1.00 43.41 C +ATOM 553 O LYS A 176 -3.882 26.391 4.292 1.00 45.08 O +ATOM 554 CB LYS A 176 -6.404 25.577 2.473 1.00 43.99 C +ATOM 555 CG LYS A 176 -7.542 24.570 2.545 1.00 45.60 C +ATOM 556 CD LYS A 176 -7.722 23.686 1.280 1.00 45.76 C +ATOM 557 CE LYS A 176 -8.645 22.475 1.615 1.00 47.09 C +ATOM 558 NZ LYS A 176 -8.677 21.366 0.562 1.00 50.55 N +ATOM 559 N ALA A 177 -4.824 28.284 3.555 1.00 43.25 N +ATOM 560 CA ALA A 177 -3.611 29.103 3.587 1.00 42.75 C +ATOM 561 C ALA A 177 -3.202 29.454 5.020 1.00 42.69 C +ATOM 562 O ALA A 177 -2.085 29.901 5.270 1.00 40.76 O +ATOM 563 CB ALA A 177 -3.826 30.388 2.765 1.00 42.44 C +ATOM 564 N SER A 178 -4.119 29.232 5.962 1.00 43.23 N +ATOM 565 CA SER A 178 -3.930 29.608 7.355 1.00 43.21 C +ATOM 566 C SER A 178 -2.982 28.671 8.100 1.00 42.98 C +ATOM 567 O SER A 178 -2.579 28.948 9.238 1.00 42.59 O +ATOM 568 CB SER A 178 -5.286 29.630 8.070 1.00 44.02 C +ATOM 569 OG SER A 178 -5.235 30.442 9.245 1.00 46.93 O +ATOM 570 N GLY A 179 -2.637 27.546 7.487 1.00 42.45 N +ATOM 571 CA GLY A 179 -1.848 26.549 8.191 1.00 42.63 C +ATOM 572 C GLY A 179 -2.554 25.944 9.392 1.00 42.74 C +ATOM 573 O GLY A 179 -3.730 25.616 9.337 1.00 43.73 O +ATOM 574 N ASN A 180 -1.834 25.818 10.496 1.00 43.21 N +ATOM 575 CA ASN A 180 -2.274 25.024 11.644 1.00 43.01 C +ATOM 576 C ASN A 180 -2.984 25.803 12.730 1.00 43.08 C +ATOM 577 O ASN A 180 -3.493 25.205 13.684 1.00 41.28 O +ATOM 578 CB ASN A 180 -1.054 24.341 12.284 1.00 43.48 C +ATOM 579 CG ASN A 180 -0.494 23.196 11.433 1.00 43.09 C +ATOM 580 OD1 ASN A 180 -1.203 22.563 10.655 1.00 40.45 O +ATOM 581 ND2 ASN A 180 0.800 22.932 11.599 1.00 44.53 N +ATOM 582 N VAL A 181 -2.993 27.130 12.580 1.00 44.25 N +ATOM 583 CA VAL A 181 -3.610 28.078 13.538 1.00 44.88 C +ATOM 584 C VAL A 181 -4.614 28.883 12.745 1.00 44.35 C +ATOM 585 O VAL A 181 -4.268 29.451 11.711 1.00 45.63 O +ATOM 586 CB VAL A 181 -2.550 29.055 14.186 1.00 44.89 C +ATOM 587 CG1 VAL A 181 -2.186 30.157 13.211 1.00 47.80 C +ATOM 588 CG2 VAL A 181 -3.073 29.692 15.502 1.00 45.21 C +ATOM 589 N LEU A 182 -5.850 28.904 13.208 1.00 43.31 N +ATOM 590 CA LEU A 182 -6.919 29.557 12.501 1.00 43.23 C +ATOM 591 C LEU A 182 -7.810 30.357 13.474 1.00 42.84 C +ATOM 592 O LEU A 182 -8.309 29.821 14.453 1.00 42.35 O +ATOM 593 CB LEU A 182 -7.728 28.519 11.731 1.00 43.34 C +ATOM 594 CG LEU A 182 -8.856 29.003 10.827 1.00 44.12 C +ATOM 595 CD1 LEU A 182 -8.357 29.579 9.463 1.00 44.06 C +ATOM 596 CD2 LEU A 182 -9.816 27.855 10.597 1.00 42.96 C +ATOM 597 N ARG A 183 -7.988 31.643 13.185 1.00 42.65 N +ATOM 598 CA ARG A 183 -8.794 32.520 14.025 1.00 43.25 C +ATOM 599 C ARG A 183 -10.083 32.893 13.284 1.00 42.42 C +ATOM 600 O ARG A 183 -10.017 33.553 12.233 1.00 43.69 O +ATOM 601 CB ARG A 183 -7.989 33.775 14.382 1.00 43.11 C +ATOM 602 CG ARG A 183 -8.425 34.417 15.721 1.00 46.09 C +ATOM 603 CD ARG A 183 -8.099 35.900 15.785 1.00 48.17 C +ATOM 604 NE ARG A 183 -6.849 36.136 15.109 1.00 52.34 N +ATOM 605 CZ ARG A 183 -6.525 37.228 14.446 1.00 52.65 C +ATOM 606 NH1 ARG A 183 -7.352 38.246 14.363 1.00 55.58 N +ATOM 607 NH2 ARG A 183 -5.342 37.288 13.879 1.00 54.48 N +ATOM 608 N LEU A 184 -11.218 32.470 13.822 1.00 40.82 N +ATOM 609 CA LEU A 184 -12.550 32.669 13.228 1.00 40.72 C +ATOM 610 C LEU A 184 -13.434 33.555 14.089 1.00 40.19 C +ATOM 611 O LEU A 184 -13.665 33.217 15.248 1.00 40.47 O +ATOM 612 CB LEU A 184 -13.258 31.300 13.062 1.00 40.03 C +ATOM 613 CG LEU A 184 -12.532 30.250 12.198 1.00 40.40 C +ATOM 614 CD1 LEU A 184 -13.152 28.849 12.216 1.00 34.45 C +ATOM 615 CD2 LEU A 184 -12.370 30.750 10.769 1.00 39.77 C +ATOM 616 N GLU A 185 -13.896 34.703 13.569 1.00 39.57 N +ATOM 617 CA GLU A 185 -15.017 35.409 14.223 1.00 38.58 C +ATOM 618 C GLU A 185 -16.300 34.703 13.781 1.00 37.78 C +ATOM 619 O GLU A 185 -16.605 34.659 12.599 1.00 37.44 O +ATOM 620 CB GLU A 185 -15.078 36.883 13.880 1.00 38.70 C +ATOM 621 CG GLU A 185 -16.212 37.580 14.544 1.00 40.10 C +ATOM 622 CD GLU A 185 -16.409 39.006 14.062 1.00 44.51 C +ATOM 623 OE1 GLU A 185 -16.105 39.289 12.872 1.00 48.42 O +ATOM 624 OE2 GLU A 185 -16.896 39.841 14.875 1.00 45.24 O +ATOM 625 N THR A 186 -17.008 34.124 14.731 1.00 36.62 N +ATOM 626 CA THR A 186 -18.268 33.475 14.483 1.00 35.90 C +ATOM 627 C THR A 186 -19.426 34.371 14.897 1.00 36.47 C +ATOM 628 O THR A 186 -19.309 35.152 15.852 1.00 36.78 O +ATOM 629 CB THR A 186 -18.374 32.156 15.242 1.00 35.83 C +ATOM 630 OG1 THR A 186 -18.384 32.401 16.673 1.00 36.53 O +ATOM 631 CG2 THR A 186 -17.186 31.206 14.905 1.00 33.89 C +ATOM 632 N LEU A 187 -20.546 34.238 14.175 1.00 36.86 N +ATOM 633 CA LEU A 187 -21.844 34.839 14.532 1.00 37.17 C +ATOM 634 C LEU A 187 -22.841 33.690 14.690 1.00 37.29 C +ATOM 635 O LEU A 187 -22.818 32.733 13.908 1.00 38.09 O +ATOM 636 CB LEU A 187 -22.358 35.801 13.444 1.00 36.42 C +ATOM 637 CG LEU A 187 -21.396 36.745 12.719 1.00 37.18 C +ATOM 638 CD1 LEU A 187 -22.120 37.504 11.561 1.00 33.04 C +ATOM 639 CD2 LEU A 187 -20.784 37.708 13.654 1.00 32.76 C +ATOM 640 N TYR A 188 -23.701 33.780 15.696 1.00 37.59 N +ATOM 641 CA TYR A 188 -24.689 32.727 15.996 1.00 38.20 C +ATOM 642 C TYR A 188 -25.768 33.233 16.915 1.00 37.96 C +ATOM 643 O TYR A 188 -25.651 34.330 17.474 1.00 36.93 O +ATOM 644 CB TYR A 188 -24.031 31.515 16.676 1.00 37.92 C +ATOM 645 CG TYR A 188 -23.285 31.806 17.975 1.00 39.27 C +ATOM 646 CD1 TYR A 188 -21.965 32.217 17.952 1.00 39.26 C +ATOM 647 CD2 TYR A 188 -23.885 31.632 19.221 1.00 37.84 C +ATOM 648 CE1 TYR A 188 -21.265 32.480 19.130 1.00 40.73 C +ATOM 649 CE2 TYR A 188 -23.195 31.892 20.403 1.00 37.82 C +ATOM 650 CZ TYR A 188 -21.874 32.316 20.339 1.00 40.84 C +ATOM 651 OH TYR A 188 -21.127 32.572 21.459 1.00 40.31 O +ATOM 652 N SER A 189 -26.809 32.420 17.069 1.00 37.39 N +ATOM 653 CA SER A 189 -27.789 32.615 18.140 1.00 37.73 C +ATOM 654 C SER A 189 -28.451 31.293 18.400 1.00 37.64 C +ATOM 655 O SER A 189 -28.281 30.364 17.641 1.00 37.45 O +ATOM 656 CB SER A 189 -28.857 33.639 17.745 1.00 37.70 C +ATOM 657 OG SER A 189 -29.480 33.264 16.527 1.00 39.66 O +ATOM 658 N SER A 190 -29.170 31.210 19.501 1.00 37.14 N +ATOM 659 CA SER A 190 -29.963 30.056 19.804 1.00 37.26 C +ATOM 660 C SER A 190 -31.386 30.432 20.045 1.00 36.29 C +ATOM 661 O SER A 190 -31.677 31.464 20.609 1.00 36.49 O +ATOM 662 CB SER A 190 -29.407 29.347 21.027 1.00 36.82 C +ATOM 663 OG SER A 190 -28.157 28.839 20.650 1.00 39.24 O +ATOM 664 N THR A 191 -32.287 29.559 19.645 1.00 35.98 N +ATOM 665 CA THR A 191 -33.694 29.776 19.909 1.00 35.05 C +ATOM 666 C THR A 191 -33.947 29.757 21.417 1.00 34.44 C +ATOM 667 O THR A 191 -34.759 30.530 21.956 1.00 33.93 O +ATOM 668 CB THR A 191 -34.532 28.655 19.226 1.00 35.56 C +ATOM 669 OG1 THR A 191 -34.206 28.633 17.838 1.00 36.40 O +ATOM 670 CG2 THR A 191 -36.016 28.890 19.370 1.00 32.04 C +ATOM 671 N LEU A 192 -33.270 28.844 22.090 1.00 33.59 N +ATOM 672 CA LEU A 192 -33.511 28.617 23.488 1.00 33.53 C +ATOM 673 C LEU A 192 -32.264 28.846 24.298 1.00 33.36 C +ATOM 674 O LEU A 192 -32.450 29.225 25.445 1.00 33.21 O +ATOM 675 CB LEU A 192 -34.054 27.198 23.738 1.00 33.35 C +ATOM 676 CG LEU A 192 -35.284 26.779 22.934 1.00 33.25 C +ATOM 677 CD1 LEU A 192 -35.473 25.267 22.976 1.00 31.11 C +ATOM 678 CD2 LEU A 192 -36.559 27.531 23.372 1.00 29.10 C +ATOM 679 OXT LEU A 192 -31.118 28.697 23.859 1.00 33.50 O Added: SwiftApps/modFTdock/input/2pnt-2.pdb =================================================================== --- SwiftApps/modFTdock/input/2pnt-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/2pnt-2.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,735 @@ +ATOM 1 N GLN B 98 13.905 36.880 9.517 1.00 60.61 N +ATOM 2 CA GLN B 98 14.098 36.215 8.197 1.00 60.34 C +ATOM 3 C GLN B 98 12.989 36.555 7.162 1.00 59.54 C +ATOM 4 O GLN B 98 13.063 36.169 5.990 1.00 60.33 O +ATOM 5 CB GLN B 98 14.168 34.724 8.391 1.00 60.87 C +ATOM 6 CG GLN B 98 12.891 34.161 8.942 1.00 64.24 C +ATOM 7 CD GLN B 98 12.360 32.983 8.132 1.00 68.49 C +ATOM 8 OE1 GLN B 98 13.123 32.134 7.630 1.00 70.84 O +ATOM 9 NE2 GLN B 98 11.031 32.924 8.006 1.00 71.25 N +ATOM 10 N ARG B 99 11.954 37.264 7.575 1.00 57.59 N +ATOM 11 CA ARG B 99 11.092 37.917 6.592 1.00 56.20 C +ATOM 12 C ARG B 99 11.016 39.345 7.038 1.00 54.49 C +ATOM 13 O ARG B 99 11.142 39.614 8.235 1.00 54.58 O +ATOM 14 CB ARG B 99 9.706 37.282 6.542 1.00 56.04 C +ATOM 15 CG ARG B 99 9.566 36.105 5.570 1.00 57.77 C +ATOM 16 CD ARG B 99 8.290 35.374 5.920 1.00 61.51 C +ATOM 17 NE ARG B 99 8.019 34.169 5.137 1.00 64.01 N +ATOM 18 CZ ARG B 99 6.831 33.545 5.111 1.00 65.43 C +ATOM 19 NH1 ARG B 99 5.790 34.016 5.821 1.00 64.76 N +ATOM 20 NH2 ARG B 99 6.671 32.447 4.364 1.00 64.97 N +ATOM 21 N LYS B 100 10.857 40.261 6.091 1.00 53.11 N +ATOM 22 CA LYS B 100 10.625 41.662 6.420 1.00 52.26 C +ATOM 23 C LYS B 100 9.136 41.822 6.684 1.00 51.88 C +ATOM 24 O LYS B 100 8.305 41.508 5.811 1.00 51.51 O +ATOM 25 CB LYS B 100 11.044 42.562 5.270 1.00 52.70 C +ATOM 26 CG LYS B 100 11.311 44.012 5.662 1.00 52.60 C +ATOM 27 N VAL B 101 8.786 42.267 7.884 1.00 50.39 N +ATOM 28 CA VAL B 101 7.390 42.480 8.203 1.00 50.25 C +ATOM 29 C VAL B 101 7.096 43.914 7.870 1.00 50.46 C +ATOM 30 O VAL B 101 7.805 44.801 8.316 1.00 51.20 O +ATOM 31 CB VAL B 101 7.063 42.247 9.697 1.00 50.30 C +ATOM 32 CG1 VAL B 101 5.602 42.606 9.986 1.00 49.10 C +ATOM 33 CG2 VAL B 101 7.376 40.812 10.101 1.00 49.65 C +ATOM 34 N LEU B 102 6.073 44.140 7.053 1.00 50.73 N +ATOM 35 CA LEU B 102 5.556 45.480 6.813 1.00 50.45 C +ATOM 36 C LEU B 102 4.133 45.467 7.254 1.00 50.41 C +ATOM 37 O LEU B 102 3.411 44.498 7.033 1.00 50.32 O +ATOM 38 CB LEU B 102 5.604 45.856 5.352 1.00 50.00 C +ATOM 39 CG LEU B 102 6.965 45.846 4.696 1.00 49.70 C +ATOM 40 CD1 LEU B 102 6.807 46.250 3.226 1.00 49.22 C +ATOM 41 CD2 LEU B 102 7.899 46.752 5.413 1.00 51.19 C +ATOM 42 N THR B 103 3.717 46.543 7.899 1.00 50.12 N +ATOM 43 CA THR B 103 2.327 46.630 8.298 1.00 49.53 C +ATOM 44 C THR B 103 1.813 47.937 7.724 1.00 49.36 C +ATOM 45 O THR B 103 2.280 49.026 8.078 1.00 49.93 O +ATOM 46 CB THR B 103 2.137 46.332 9.853 1.00 49.53 C +ATOM 47 OG1 THR B 103 1.001 47.033 10.385 1.00 47.59 O +ATOM 48 CG2 THR B 103 3.462 46.576 10.645 1.00 49.37 C +ATOM 49 N LEU B 104 0.943 47.812 6.724 1.00 48.46 N +ATOM 50 CA LEU B 104 0.405 48.985 6.050 1.00 46.99 C +ATOM 51 C LEU B 104 -0.889 49.280 6.714 1.00 46.53 C +ATOM 52 O LEU B 104 -1.627 48.371 7.069 1.00 46.68 O +ATOM 53 CB LEU B 104 0.173 48.791 4.538 1.00 46.41 C +ATOM 54 CG LEU B 104 1.023 47.877 3.654 1.00 45.40 C +ATOM 55 CD1 LEU B 104 0.765 48.203 2.182 1.00 42.37 C +ATOM 56 CD2 LEU B 104 2.529 47.830 3.972 1.00 43.28 C +ATOM 57 N GLU B 105 -1.154 50.571 6.882 1.00 46.79 N +ATOM 58 CA GLU B 105 -2.357 51.052 7.545 1.00 46.79 C +ATOM 59 C GLU B 105 -2.824 52.261 6.824 1.00 45.36 C +ATOM 60 O GLU B 105 -2.025 53.137 6.491 1.00 44.81 O +ATOM 61 CB GLU B 105 -2.088 51.427 9.007 1.00 46.76 C +ATOM 62 CG GLU B 105 -3.314 51.310 9.878 1.00 47.98 C +ATOM 63 CD GLU B 105 -3.161 51.957 11.257 1.00 48.57 C +ATOM 64 OE1 GLU B 105 -2.016 52.085 11.772 1.00 50.12 O +ATOM 65 OE2 GLU B 105 -4.202 52.364 11.813 1.00 49.73 O +ATOM 66 N LYS B 106 -4.121 52.293 6.598 1.00 44.56 N +ATOM 67 CA LYS B 106 -4.760 53.333 5.850 1.00 44.52 C +ATOM 68 C LYS B 106 -6.087 53.716 6.509 1.00 45.11 C +ATOM 69 O LYS B 106 -6.519 53.132 7.512 1.00 44.96 O +ATOM 70 CB LYS B 106 -4.999 52.848 4.422 1.00 44.35 C +ATOM 71 CG LYS B 106 -6.070 51.786 4.275 1.00 42.66 C +ATOM 72 CD LYS B 106 -6.387 51.547 2.822 1.00 41.69 C +ATOM 73 CE LYS B 106 -7.545 50.596 2.663 1.00 41.25 C +ATOM 74 NZ LYS B 106 -8.839 51.187 3.073 1.00 38.61 N +ATOM 75 N GLU B 107 -6.731 54.703 5.919 1.00 45.63 N +ATOM 76 CA GLU B 107 -7.972 55.191 6.421 1.00 46.72 C +ATOM 77 C GLU B 107 -9.057 54.579 5.591 1.00 47.32 C +ATOM 78 O GLU B 107 -8.804 54.073 4.527 1.00 47.42 O +ATOM 79 CB GLU B 107 -8.010 56.739 6.341 1.00 46.54 C +ATOM 80 CG GLU B 107 -6.960 57.417 7.224 1.00 46.16 C +ATOM 81 CD GLU B 107 -7.192 57.180 8.705 1.00 47.45 C +ATOM 82 OE1 GLU B 107 -8.357 56.970 9.122 1.00 48.16 O +ATOM 83 OE2 GLU B 107 -6.215 57.212 9.473 1.00 50.44 O +ATOM 84 N ASP B 108 -10.282 54.680 6.088 1.00 49.13 N +ATOM 85 CA ASP B 108 -11.453 54.072 5.458 1.00 50.04 C +ATOM 86 C ASP B 108 -11.640 54.422 4.002 1.00 50.57 C +ATOM 87 O ASP B 108 -11.995 53.549 3.188 1.00 49.76 O +ATOM 88 CB ASP B 108 -12.722 54.463 6.207 1.00 50.11 C +ATOM 89 CG ASP B 108 -12.978 53.596 7.405 1.00 50.92 C +ATOM 90 OD1 ASP B 108 -12.376 52.519 7.531 1.00 51.54 O +ATOM 91 OD2 ASP B 108 -13.813 53.993 8.232 1.00 55.21 O +ATOM 92 N ASN B 109 -11.412 55.693 3.689 1.00 50.89 N +ATOM 93 CA ASN B 109 -11.683 56.198 2.354 1.00 51.85 C +ATOM 94 C ASN B 109 -10.550 55.916 1.335 1.00 51.16 C +ATOM 95 O ASN B 109 -10.746 56.086 0.126 1.00 51.86 O +ATOM 96 CB ASN B 109 -12.046 57.690 2.415 1.00 52.72 C +ATOM 97 CG ASN B 109 -10.877 58.586 2.884 1.00 56.55 C +ATOM 98 OD1 ASN B 109 -10.360 58.460 4.016 1.00 60.07 O +ATOM 99 ND2 ASN B 109 -10.493 59.533 2.017 1.00 58.92 N +ATOM 100 N GLN B 110 -9.400 55.431 1.807 1.00 49.34 N +ATOM 101 CA GLN B 110 -8.233 55.254 0.943 1.00 48.10 C +ATOM 102 C GLN B 110 -8.098 53.850 0.352 1.00 46.01 C +ATOM 103 O GLN B 110 -8.671 52.887 0.852 1.00 46.31 O +ATOM 104 CB GLN B 110 -6.949 55.512 1.718 1.00 48.85 C +ATOM 105 CG GLN B 110 -6.875 56.776 2.477 1.00 50.48 C +ATOM 106 CD GLN B 110 -5.523 56.921 3.102 1.00 54.21 C +ATOM 107 OE1 GLN B 110 -5.339 56.631 4.281 1.00 56.03 O +ATOM 108 NE2 GLN B 110 -4.544 57.338 2.303 1.00 57.45 N +ATOM 109 N THR B 111 -7.305 53.749 -0.709 1.00 44.05 N +ATOM 110 CA THR B 111 -6.687 52.485 -1.079 1.00 42.36 C +ATOM 111 C THR B 111 -5.323 52.460 -0.407 1.00 40.83 C +ATOM 112 O THR B 111 -4.832 53.494 0.034 1.00 40.01 O +ATOM 113 CB THR B 111 -6.526 52.315 -2.614 1.00 42.64 C +ATOM 114 OG1 THR B 111 -5.846 53.446 -3.159 1.00 44.00 O +ATOM 115 CG2 THR B 111 -7.837 52.173 -3.282 1.00 41.68 C +ATOM 116 N PHE B 112 -4.701 51.290 -0.355 1.00 38.67 N +ATOM 117 CA PHE B 112 -3.314 51.195 0.093 1.00 38.59 C +ATOM 118 C PHE B 112 -2.334 51.814 -0.910 1.00 37.47 C +ATOM 119 O PHE B 112 -1.285 52.271 -0.535 1.00 37.40 O +ATOM 120 CB PHE B 112 -2.932 49.720 0.401 1.00 38.50 C +ATOM 121 CG PHE B 112 -3.605 49.164 1.622 1.00 37.50 C +ATOM 122 CD1 PHE B 112 -3.222 49.571 2.879 1.00 36.84 C +ATOM 123 CD2 PHE B 112 -4.609 48.207 1.506 1.00 37.80 C +ATOM 124 CE1 PHE B 112 -3.845 49.064 4.005 1.00 38.67 C +ATOM 125 CE2 PHE B 112 -5.216 47.672 2.612 1.00 36.98 C +ATOM 126 CZ PHE B 112 -4.861 48.115 3.873 1.00 38.20 C +ATOM 127 N GLY B 113 -2.655 51.747 -2.193 1.00 37.69 N +ATOM 128 CA GLY B 113 -1.859 52.356 -3.238 1.00 37.73 C +ATOM 129 C GLY B 113 -0.892 51.420 -3.939 1.00 38.24 C +ATOM 130 O GLY B 113 0.174 51.828 -4.339 1.00 37.61 O +ATOM 131 N PHE B 114 -1.255 50.151 -4.091 1.00 38.93 N +ATOM 132 CA PHE B 114 -0.406 49.239 -4.839 1.00 39.10 C +ATOM 133 C PHE B 114 -1.126 48.250 -5.750 1.00 39.72 C +ATOM 134 O PHE B 114 -2.384 48.161 -5.781 1.00 39.45 O +ATOM 135 CB PHE B 114 0.617 48.539 -3.930 1.00 38.81 C +ATOM 136 CG PHE B 114 0.038 47.560 -2.991 1.00 37.26 C +ATOM 137 CD1 PHE B 114 0.169 46.200 -3.223 1.00 38.65 C +ATOM 138 CD2 PHE B 114 -0.628 47.974 -1.856 1.00 37.81 C +ATOM 139 CE1 PHE B 114 -0.364 45.282 -2.337 1.00 38.95 C +ATOM 140 CE2 PHE B 114 -1.169 47.062 -0.968 1.00 38.04 C +ATOM 141 CZ PHE B 114 -1.024 45.709 -1.202 1.00 38.38 C +ATOM 142 N GLU B 115 -0.311 47.598 -6.575 1.00 39.24 N +ATOM 143 CA GLU B 115 -0.777 46.579 -7.533 1.00 40.61 C +ATOM 144 C GLU B 115 0.068 45.321 -7.395 1.00 40.16 C +ATOM 145 O GLU B 115 1.250 45.400 -7.085 1.00 38.76 O +ATOM 146 CB GLU B 115 -0.649 47.060 -8.985 1.00 40.87 C +ATOM 147 CG GLU B 115 -1.225 48.415 -9.235 1.00 44.63 C +ATOM 148 CD GLU B 115 -2.724 48.358 -9.309 1.00 49.43 C +ATOM 149 OE1 GLU B 115 -3.271 47.228 -9.466 1.00 48.49 O +ATOM 150 OE2 GLU B 115 -3.359 49.436 -9.213 1.00 53.50 O +ATOM 151 N ILE B 116 -0.555 44.176 -7.630 1.00 40.16 N +ATOM 152 CA ILE B 116 0.153 42.922 -7.616 1.00 40.84 C +ATOM 153 C ILE B 116 -0.049 42.135 -8.909 1.00 42.57 C +ATOM 154 O ILE B 116 -1.074 42.261 -9.609 1.00 39.77 O +ATOM 155 CB ILE B 116 -0.258 42.019 -6.443 1.00 40.03 C +ATOM 156 CG1 ILE B 116 -1.756 41.692 -6.567 1.00 40.92 C +ATOM 157 CG2 ILE B 116 0.110 42.659 -5.069 1.00 39.88 C +ATOM 158 CD1 ILE B 116 -2.261 40.703 -5.588 1.00 41.68 C +ATOM 159 N GLN B 117 0.947 41.287 -9.189 1.00 45.36 N +ATOM 160 CA GLN B 117 0.758 40.173 -10.115 1.00 47.21 C +ATOM 161 C GLN B 117 1.316 38.870 -9.536 1.00 47.41 C +ATOM 162 O GLN B 117 2.100 38.849 -8.603 1.00 46.22 O +ATOM 163 CB GLN B 117 1.317 40.493 -11.495 1.00 48.24 C +ATOM 164 CG GLN B 117 1.011 39.375 -12.559 1.00 52.41 C +ATOM 165 CD GLN B 117 -0.489 39.239 -13.003 1.00 55.36 C +ATOM 166 OE1 GLN B 117 -0.913 40.009 -13.858 1.00 60.65 O +ATOM 167 NE2 GLN B 117 -1.237 38.208 -12.507 1.00 48.68 N +ATOM 168 N THR B 118 0.767 37.766 -10.002 1.00 48.37 N +ATOM 169 CA THR B 118 1.166 36.495 -9.498 1.00 49.93 C +ATOM 170 C THR B 118 1.785 35.740 -10.642 1.00 50.16 C +ATOM 171 O THR B 118 1.219 35.665 -11.721 1.00 49.62 O +ATOM 172 CB THR B 118 -0.010 35.709 -8.916 1.00 50.56 C +ATOM 173 OG1 THR B 118 -0.742 35.102 -9.983 1.00 54.45 O +ATOM 174 CG2 THR B 118 -0.931 36.621 -8.085 1.00 51.03 C +ATOM 175 N TYR B 119 2.976 35.223 -10.396 1.00 51.06 N +ATOM 176 CA TYR B 119 3.670 34.392 -11.357 1.00 51.69 C +ATOM 177 C TYR B 119 4.076 33.057 -10.763 1.00 49.71 C +ATOM 178 O TYR B 119 4.175 32.895 -9.546 1.00 47.48 O +ATOM 179 CB TYR B 119 4.929 35.102 -11.855 1.00 54.10 C +ATOM 180 CG TYR B 119 4.631 36.335 -12.667 1.00 57.37 C +ATOM 181 CD1 TYR B 119 5.189 37.558 -12.338 1.00 60.29 C +ATOM 182 CD2 TYR B 119 3.767 36.285 -13.748 1.00 60.19 C +ATOM 183 CE1 TYR B 119 4.929 38.674 -13.083 1.00 60.07 C +ATOM 184 CE2 TYR B 119 3.481 37.411 -14.469 1.00 61.16 C +ATOM 185 CZ TYR B 119 4.086 38.601 -14.122 1.00 59.59 C +ATOM 186 OH TYR B 119 3.832 39.754 -14.800 1.00 61.17 O +ATOM 187 N GLY B 120 4.324 32.109 -11.667 1.00 47.44 N +ATOM 188 CA GLY B 120 4.856 30.808 -11.297 1.00 45.70 C +ATOM 189 C GLY B 120 6.289 30.881 -10.833 1.00 44.14 C +ATOM 190 O GLY B 120 7.143 31.472 -11.475 1.00 43.56 O +ATOM 191 N LEU B 121 6.554 30.267 -9.704 1.00 43.53 N +ATOM 192 CA LEU B 121 7.904 30.109 -9.223 1.00 43.84 C +ATOM 193 C LEU B 121 8.311 28.645 -9.379 1.00 44.37 C +ATOM 194 O LEU B 121 7.717 27.763 -8.791 1.00 44.58 O +ATOM 195 CB LEU B 121 7.948 30.529 -7.756 1.00 44.43 C +ATOM 196 CG LEU B 121 9.296 30.668 -7.085 1.00 45.42 C +ATOM 197 CD1 LEU B 121 10.123 31.673 -7.889 1.00 44.49 C +ATOM 198 CD2 LEU B 121 9.175 31.045 -5.581 1.00 42.99 C +ATOM 199 N HIS B 122 9.344 28.389 -10.167 1.00 45.07 N +ATOM 200 CA HIS B 122 9.714 27.032 -10.516 1.00 45.36 C +ATOM 201 C HIS B 122 10.713 26.486 -9.594 1.00 46.34 C +ATOM 202 O HIS B 122 11.511 27.213 -9.030 1.00 46.12 O +ATOM 203 CB HIS B 122 10.306 26.962 -11.913 1.00 44.94 C +ATOM 204 CG HIS B 122 9.362 27.420 -12.945 1.00 43.75 C +ATOM 205 ND1 HIS B 122 8.473 26.568 -13.563 1.00 43.93 N +ATOM 206 CD2 HIS B 122 9.092 28.657 -13.409 1.00 43.08 C +ATOM 207 CE1 HIS B 122 7.721 27.263 -14.397 1.00 45.29 C +ATOM 208 NE2 HIS B 122 8.094 28.532 -14.337 1.00 43.23 N +ATOM 209 N HIS B 123 10.637 25.185 -9.443 1.00 47.36 N +ATOM 210 CA HIS B 123 11.744 24.444 -8.960 1.00 49.07 C +ATOM 211 C HIS B 123 11.823 23.161 -9.786 1.00 49.24 C +ATOM 212 O HIS B 123 10.910 22.797 -10.493 1.00 48.28 O +ATOM 213 CB HIS B 123 11.604 24.186 -7.456 1.00 49.97 C +ATOM 214 CG HIS B 123 10.356 23.464 -7.096 1.00 50.68 C +ATOM 215 ND1 HIS B 123 10.299 22.091 -6.983 1.00 51.46 N +ATOM 216 CD2 HIS B 123 9.103 23.923 -6.884 1.00 50.57 C +ATOM 217 CE1 HIS B 123 9.062 21.743 -6.672 1.00 52.51 C +ATOM 218 NE2 HIS B 123 8.316 22.833 -6.619 1.00 49.84 N +ATOM 219 N ARG B 124 12.953 22.501 -9.687 1.00 50.47 N +ATOM 220 CA ARG B 124 13.427 21.653 -10.757 1.00 51.96 C +ATOM 221 C ARG B 124 12.520 20.473 -11.065 1.00 53.13 C +ATOM 222 O ARG B 124 12.308 20.165 -12.241 1.00 53.43 O +ATOM 223 CB ARG B 124 14.803 21.127 -10.427 1.00 51.96 C +ATOM 224 CG ARG B 124 15.713 21.084 -11.599 1.00 54.30 C +ATOM 225 CD ARG B 124 16.948 20.275 -11.256 1.00 57.01 C +ATOM 226 NE ARG B 124 18.122 21.072 -10.867 1.00 58.51 N +ATOM 227 CZ ARG B 124 18.518 21.337 -9.609 1.00 58.90 C +ATOM 228 NH1 ARG B 124 19.623 22.041 -9.420 1.00 57.33 N +ATOM 229 NH2 ARG B 124 17.826 20.921 -8.547 1.00 60.54 N +ATOM 230 N GLU B 125 12.016 19.800 -10.021 1.00 53.95 N +ATOM 231 CA GLU B 125 11.220 18.571 -10.219 1.00 54.61 C +ATOM 232 C GLU B 125 9.764 18.809 -9.860 1.00 54.86 C +ATOM 233 O GLU B 125 9.052 17.880 -9.494 1.00 56.40 O +ATOM 234 CB GLU B 125 11.796 17.387 -9.413 1.00 54.90 C +ATOM 235 CG GLU B 125 13.193 16.908 -9.858 1.00 54.98 C +ATOM 236 N GLU B 126 9.314 20.052 -9.974 1.00 54.73 N +ATOM 237 CA GLU B 126 7.915 20.377 -9.794 1.00 54.38 C +ATOM 238 C GLU B 126 7.043 19.494 -10.670 1.00 55.13 C +ATOM 239 O GLU B 126 7.455 19.069 -11.758 1.00 54.64 O +ATOM 240 CB GLU B 126 7.659 21.837 -10.159 1.00 54.11 C +ATOM 241 CG GLU B 126 8.014 22.161 -11.601 1.00 52.02 C +ATOM 242 CD GLU B 126 8.069 23.643 -11.873 1.00 47.63 C +ATOM 243 OE1 GLU B 126 7.840 24.430 -10.951 1.00 43.63 O +ATOM 244 OE2 GLU B 126 8.384 24.010 -13.021 1.00 48.17 O +ATOM 245 N GLN B 127 5.848 19.208 -10.160 1.00 56.42 N +ATOM 246 CA GLN B 127 4.794 18.495 -10.903 1.00 57.47 C +ATOM 247 C GLN B 127 3.673 19.480 -11.244 1.00 58.14 C +ATOM 248 O GLN B 127 2.909 19.262 -12.178 1.00 58.63 O +ATOM 249 CB GLN B 127 4.250 17.319 -10.078 1.00 57.60 C +ATOM 250 CG GLN B 127 5.215 16.123 -9.976 1.00 58.28 C +ATOM 251 N ARG B 128 3.588 20.562 -10.465 1.00 58.50 N +ATOM 252 CA ARG B 128 2.727 21.711 -10.758 1.00 58.32 C +ATOM 253 C ARG B 128 3.505 22.993 -10.414 1.00 57.72 C +ATOM 254 O ARG B 128 4.419 22.982 -9.575 1.00 58.22 O +ATOM 255 CB ARG B 128 1.426 21.635 -9.947 1.00 58.69 C +ATOM 256 N VAL B 129 3.177 24.093 -11.076 1.00 56.30 N +ATOM 257 CA VAL B 129 3.897 25.338 -10.820 1.00 54.69 C +ATOM 258 C VAL B 129 3.215 26.064 -9.670 1.00 53.10 C +ATOM 259 O VAL B 129 1.998 26.249 -9.682 1.00 52.47 O +ATOM 260 CB VAL B 129 4.025 26.247 -12.091 1.00 54.90 C +ATOM 261 CG1 VAL B 129 5.019 27.395 -11.838 1.00 52.00 C +ATOM 262 CG2 VAL B 129 4.451 25.394 -13.316 1.00 54.74 C +ATOM 263 N GLU B 130 4.009 26.445 -8.672 1.00 51.59 N +ATOM 264 CA GLU B 130 3.519 27.241 -7.529 1.00 51.10 C +ATOM 265 C GLU B 130 3.431 28.743 -7.865 1.00 49.57 C +ATOM 266 O GLU B 130 4.413 29.372 -8.138 1.00 48.92 O +ATOM 267 CB GLU B 130 4.423 27.038 -6.296 1.00 50.72 C +ATOM 268 N MET B 131 2.233 29.290 -7.867 1.00 49.23 N +ATOM 269 CA MET B 131 2.042 30.741 -7.996 1.00 48.88 C +ATOM 270 C MET B 131 2.481 31.509 -6.741 1.00 46.82 C +ATOM 271 O MET B 131 2.209 31.106 -5.603 1.00 46.08 O +ATOM 272 CB MET B 131 0.579 31.043 -8.281 1.00 49.70 C +ATOM 273 CG MET B 131 0.060 30.313 -9.471 1.00 53.56 C +ATOM 274 SD MET B 131 1.104 30.656 -10.909 1.00 60.39 S +ATOM 275 CE MET B 131 0.467 32.247 -11.357 1.00 56.96 C +ATOM 276 N VAL B 132 3.211 32.595 -6.941 1.00 45.20 N +ATOM 277 CA VAL B 132 3.496 33.497 -5.852 1.00 43.91 C +ATOM 278 C VAL B 132 3.148 34.885 -6.290 1.00 43.40 C +ATOM 279 O VAL B 132 3.004 35.153 -7.478 1.00 43.20 O +ATOM 280 CB VAL B 132 4.950 33.420 -5.360 1.00 44.20 C +ATOM 281 CG1 VAL B 132 5.285 31.987 -4.885 1.00 41.86 C +ATOM 282 CG2 VAL B 132 5.925 33.969 -6.433 1.00 43.13 C +ATOM 283 N THR B 133 2.999 35.759 -5.304 1.00 42.27 N +ATOM 284 CA THR B 133 2.536 37.134 -5.512 1.00 42.08 C +ATOM 285 C THR B 133 3.618 38.204 -5.286 1.00 41.39 C +ATOM 286 O THR B 133 4.228 38.287 -4.216 1.00 39.76 O +ATOM 287 CB THR B 133 1.353 37.451 -4.569 1.00 42.08 C +ATOM 288 OG1 THR B 133 0.282 36.557 -4.858 1.00 41.93 O +ATOM 289 CG2 THR B 133 0.885 38.889 -4.766 1.00 40.90 C +ATOM 290 N PHE B 134 3.781 39.051 -6.277 1.00 41.60 N +ATOM 291 CA APHE B 134 4.704 40.120 -6.035 0.50 41.95 C +ATOM 292 CA BPHE B 134 4.806 40.094 -6.408 0.50 43.10 C +ATOM 293 C PHE B 134 4.102 41.478 -6.368 1.00 42.64 C +ATOM 294 O PHE B 134 3.022 41.613 -6.993 1.00 41.34 O +ATOM 295 CB APHE B 134 6.014 39.858 -6.780 0.40 41.71 C +ATOM 296 CB BPHE B 134 5.496 40.023 -7.818 0.60 44.49 C +ATOM 297 CG APHE B 134 6.056 40.462 -8.125 0.40 41.72 C +ATOM 298 CG BPHE B 134 6.211 38.712 -8.157 0.60 46.51 C +ATOM 299 CD1APHE B 134 5.385 39.874 -9.173 0.40 41.02 C +ATOM 300 CD1BPHE B 134 7.590 38.693 -8.358 0.60 49.92 C +ATOM 301 CD2APHE B 134 6.747 41.643 -8.339 0.40 40.47 C +ATOM 302 CD2BPHE B 134 5.515 37.542 -8.374 0.60 49.44 C +ATOM 303 CE1APHE B 134 5.408 40.455 -10.403 0.40 40.92 C +ATOM 304 CE1BPHE B 134 8.282 37.508 -8.723 0.60 48.96 C +ATOM 305 CE2APHE B 134 6.772 42.217 -9.566 0.40 40.41 C +ATOM 306 CE2BPHE B 134 6.201 36.353 -8.722 0.60 50.89 C +ATOM 307 CZ APHE B 134 6.099 41.630 -10.603 0.40 41.24 C +ATOM 308 CZ BPHE B 134 7.595 36.350 -8.889 0.60 48.59 C +ATOM 309 N VAL B 135 4.753 42.494 -5.794 1.00 42.67 N +ATOM 310 CA VAL B 135 4.284 43.863 -5.880 1.00 41.96 C +ATOM 311 C VAL B 135 4.874 44.469 -7.161 1.00 43.18 C +ATOM 312 O VAL B 135 6.102 44.561 -7.293 1.00 42.32 O +ATOM 313 CB VAL B 135 4.700 44.681 -4.666 1.00 41.76 C +ATOM 314 CG1 VAL B 135 4.297 46.140 -4.876 1.00 39.17 C +ATOM 315 CG2 VAL B 135 4.057 44.118 -3.384 1.00 39.08 C +ATOM 316 N CYS B 136 4.010 44.829 -8.109 1.00 42.88 N +ATOM 317 CA CYS B 136 4.474 45.312 -9.407 1.00 44.74 C +ATOM 318 C CYS B 136 4.406 46.834 -9.540 1.00 44.02 C +ATOM 319 O CYS B 136 5.001 47.385 -10.423 1.00 44.57 O +ATOM 320 CB CYS B 136 3.697 44.638 -10.545 1.00 45.05 C +ATOM 321 SG CYS B 136 1.905 44.852 -10.481 1.00 50.60 S +ATOM 322 N ARG B 137 3.682 47.503 -8.647 1.00 44.06 N +ATOM 323 CA ARG B 137 3.515 48.941 -8.717 1.00 43.66 C +ATOM 324 C ARG B 137 3.115 49.489 -7.349 1.00 41.58 C +ATOM 325 O ARG B 137 2.311 48.876 -6.629 1.00 41.23 O +ATOM 326 CB ARG B 137 2.444 49.282 -9.750 1.00 44.27 C +ATOM 327 CG ARG B 137 2.429 50.766 -10.144 1.00 45.21 C +ATOM 328 CD ARG B 137 1.164 51.083 -10.943 1.00 47.91 C +ATOM 329 NE ARG B 137 1.322 50.908 -12.383 1.00 50.92 N +ATOM 330 CZ ARG B 137 0.328 51.105 -13.258 1.00 54.70 C +ATOM 331 NH1 ARG B 137 -0.926 51.449 -12.844 1.00 53.61 N +ATOM 332 NH2 ARG B 137 0.579 50.957 -14.561 1.00 54.54 N +ATOM 333 N VAL B 138 3.736 50.606 -6.972 1.00 39.40 N +ATOM 334 CA VAL B 138 3.443 51.286 -5.742 1.00 37.57 C +ATOM 335 C VAL B 138 3.352 52.778 -5.979 1.00 38.03 C +ATOM 336 O VAL B 138 4.245 53.376 -6.511 1.00 37.10 O +ATOM 337 CB VAL B 138 4.445 50.990 -4.651 1.00 37.46 C +ATOM 338 CG1 VAL B 138 4.084 51.782 -3.416 1.00 33.44 C +ATOM 339 CG2 VAL B 138 4.462 49.469 -4.352 1.00 33.17 C +ATOM 340 N HIS B 139 2.247 53.382 -5.572 1.00 37.93 N +ATOM 341 CA HIS B 139 2.072 54.753 -5.890 1.00 38.85 C +ATOM 342 C HIS B 139 2.770 55.643 -4.867 1.00 39.45 C +ATOM 343 O HIS B 139 2.644 55.462 -3.651 1.00 38.76 O +ATOM 344 CB HIS B 139 0.591 55.110 -6.057 1.00 38.57 C +ATOM 345 CG HIS B 139 0.390 56.274 -6.949 1.00 40.38 C +ATOM 346 ND1 HIS B 139 0.596 57.573 -6.525 1.00 43.28 N +ATOM 347 CD2 HIS B 139 0.135 56.344 -8.277 1.00 40.79 C +ATOM 348 CE1 HIS B 139 0.419 58.394 -7.545 1.00 43.56 C +ATOM 349 NE2 HIS B 139 0.134 57.675 -8.620 1.00 39.50 N +ATOM 350 N GLU B 140 3.483 56.630 -5.382 1.00 40.68 N +ATOM 351 CA GLU B 140 4.264 57.517 -4.543 1.00 41.88 C +ATOM 352 C GLU B 140 3.355 58.170 -3.533 1.00 41.50 C +ATOM 353 O GLU B 140 2.229 58.505 -3.838 1.00 41.74 O +ATOM 354 CB GLU B 140 5.011 58.571 -5.368 1.00 42.63 C +ATOM 355 CG GLU B 140 6.079 58.017 -6.360 1.00 45.73 C +ATOM 356 CD GLU B 140 7.192 57.223 -5.682 1.00 50.12 C +ATOM 357 OE1 GLU B 140 7.366 57.384 -4.457 1.00 54.60 O +ATOM 358 OE2 GLU B 140 7.883 56.426 -6.362 1.00 51.83 O +ATOM 359 N SER B 141 3.844 58.246 -2.303 1.00 41.51 N +ATOM 360 CA SER B 141 3.157 58.839 -1.168 1.00 41.81 C +ATOM 361 C SER B 141 1.874 58.163 -0.665 1.00 41.24 C +ATOM 362 O SER B 141 1.142 58.728 0.153 1.00 40.39 O +ATOM 363 CB SER B 141 2.914 60.317 -1.448 1.00 43.21 C +ATOM 364 OG SER B 141 1.670 60.481 -2.108 1.00 47.79 O +ATOM 365 N SER B 142 1.640 56.917 -1.087 1.00 40.87 N +ATOM 366 CA SER B 142 0.459 56.135 -0.679 1.00 39.41 C +ATOM 367 C SER B 142 0.745 55.499 0.647 1.00 38.84 C +ATOM 368 O SER B 142 1.883 55.339 1.003 1.00 38.81 O +ATOM 369 CB SER B 142 0.197 55.019 -1.688 1.00 38.74 C +ATOM 370 OG SER B 142 1.299 54.123 -1.746 1.00 36.86 O +ATOM 371 N PRO B 143 -0.290 55.087 1.374 1.00 39.05 N +ATOM 372 CA PRO B 143 -0.065 54.265 2.576 1.00 39.05 C +ATOM 373 C PRO B 143 0.931 53.132 2.352 1.00 39.03 C +ATOM 374 O PRO B 143 1.735 52.858 3.239 1.00 37.72 O +ATOM 375 CB PRO B 143 -1.455 53.689 2.861 1.00 39.25 C +ATOM 376 CG PRO B 143 -2.381 54.772 2.428 1.00 39.02 C +ATOM 377 CD PRO B 143 -1.720 55.349 1.153 1.00 39.25 C +ATOM 378 N ALA B 144 0.896 52.509 1.156 1.00 39.08 N +ATOM 379 CA ALA B 144 1.798 51.372 0.846 1.00 39.37 C +ATOM 380 C ALA B 144 3.245 51.830 0.869 1.00 39.64 C +ATOM 381 O ALA B 144 4.110 51.205 1.462 1.00 38.72 O +ATOM 382 CB ALA B 144 1.458 50.716 -0.551 1.00 39.86 C +ATOM 383 N GLN B 145 3.498 52.933 0.184 1.00 40.32 N +ATOM 384 CA GLN B 145 4.830 53.477 0.057 1.00 40.83 C +ATOM 385 C GLN B 145 5.354 53.980 1.398 1.00 40.81 C +ATOM 386 O GLN B 145 6.523 53.771 1.746 1.00 40.37 O +ATOM 387 CB GLN B 145 4.806 54.595 -0.958 1.00 41.72 C +ATOM 388 CG GLN B 145 6.165 55.043 -1.432 1.00 43.97 C +ATOM 389 CD GLN B 145 6.557 56.338 -0.807 1.00 48.61 C +ATOM 390 OE1 GLN B 145 5.870 57.358 -0.962 1.00 49.58 O +ATOM 391 NE2 GLN B 145 7.659 56.316 -0.063 1.00 51.23 N +ATOM 392 N LEU B 146 4.498 54.651 2.153 1.00 40.67 N +ATOM 393 CA LEU B 146 4.908 55.130 3.464 1.00 41.02 C +ATOM 394 C LEU B 146 5.320 53.970 4.390 1.00 41.90 C +ATOM 395 O LEU B 146 6.263 54.105 5.128 1.00 42.13 O +ATOM 396 CB LEU B 146 3.792 55.950 4.098 1.00 40.83 C +ATOM 397 CG LEU B 146 3.509 57.301 3.425 1.00 40.92 C +ATOM 398 CD1 LEU B 146 2.536 58.098 4.302 1.00 37.87 C +ATOM 399 CD2 LEU B 146 4.803 58.149 3.061 1.00 37.46 C +ATOM 400 N ALA B 147 4.610 52.839 4.314 1.00 43.21 N +ATOM 401 CA ALA B 147 4.895 51.638 5.134 1.00 43.82 C +ATOM 402 C ALA B 147 6.102 50.833 4.644 1.00 43.80 C +ATOM 403 O ALA B 147 6.548 49.899 5.341 1.00 45.01 O +ATOM 404 CB ALA B 147 3.653 50.740 5.258 1.00 43.05 C +ATOM 405 N GLY B 148 6.648 51.196 3.483 1.00 43.93 N +ATOM 406 CA GLY B 148 7.953 50.683 3.027 1.00 43.40 C +ATOM 407 C GLY B 148 7.854 49.736 1.848 1.00 43.81 C +ATOM 408 O GLY B 148 8.861 49.147 1.405 1.00 43.67 O +ATOM 409 N LEU B 149 6.647 49.575 1.305 1.00 43.44 N +ATOM 410 CA LEU B 149 6.450 48.624 0.202 1.00 42.51 C +ATOM 411 C LEU B 149 6.984 49.226 -1.092 1.00 42.84 C +ATOM 412 O LEU B 149 6.731 50.414 -1.353 1.00 42.79 O +ATOM 413 CB LEU B 149 4.966 48.359 0.032 1.00 42.58 C +ATOM 414 CG LEU B 149 4.599 47.113 -0.736 1.00 42.05 C +ATOM 415 CD1 LEU B 149 5.045 45.919 0.100 1.00 38.09 C +ATOM 416 CD2 LEU B 149 3.096 47.090 -1.035 1.00 41.44 C +ATOM 417 N THR B 150 7.677 48.402 -1.888 1.00 42.48 N +ATOM 418 CA THR B 150 8.236 48.790 -3.179 1.00 42.08 C +ATOM 419 C THR B 150 7.997 47.762 -4.278 1.00 40.93 C +ATOM 420 O THR B 150 7.838 46.572 -4.012 1.00 39.66 O +ATOM 421 CB THR B 150 9.765 49.037 -3.071 1.00 43.35 C +ATOM 422 OG1 THR B 150 10.439 47.799 -2.843 1.00 46.09 O +ATOM 423 CG2 THR B 150 10.102 50.043 -1.903 1.00 45.18 C +ATOM 424 N PRO B 151 7.999 48.217 -5.545 1.00 40.51 N +ATOM 425 CA PRO B 151 7.893 47.322 -6.642 1.00 40.47 C +ATOM 426 C PRO B 151 8.995 46.277 -6.540 1.00 40.70 C +ATOM 427 O PRO B 151 10.104 46.627 -6.204 1.00 41.59 O +ATOM 428 CB PRO B 151 8.113 48.241 -7.860 1.00 40.78 C +ATOM 429 CG PRO B 151 7.730 49.506 -7.444 1.00 40.75 C +ATOM 430 CD PRO B 151 8.122 49.609 -6.017 1.00 41.35 C +ATOM 431 N GLY B 152 8.659 45.019 -6.794 1.00 40.85 N +ATOM 432 CA GLY B 152 9.584 43.910 -6.738 1.00 41.22 C +ATOM 433 C GLY B 152 9.575 43.157 -5.413 1.00 41.62 C +ATOM 434 O GLY B 152 10.187 42.098 -5.303 1.00 42.07 O +ATOM 435 N ASP B 153 8.883 43.703 -4.413 1.00 41.44 N +ATOM 436 CA ASP B 153 8.610 43.001 -3.164 1.00 41.28 C +ATOM 437 C ASP B 153 7.756 41.790 -3.476 1.00 40.60 C +ATOM 438 O ASP B 153 6.898 41.843 -4.356 1.00 41.75 O +ATOM 439 CB ASP B 153 7.831 43.876 -2.164 1.00 40.53 C +ATOM 440 CG ASP B 153 8.713 44.696 -1.314 1.00 42.58 C +ATOM 441 OD1 ASP B 153 9.850 44.273 -1.128 1.00 48.61 O +ATOM 442 OD2 ASP B 153 8.299 45.766 -0.813 1.00 41.85 O +ATOM 443 N THR B 154 8.006 40.709 -2.754 1.00 40.40 N +ATOM 444 CA THR B 154 7.232 39.505 -2.855 1.00 40.45 C +ATOM 445 C THR B 154 6.447 39.333 -1.556 1.00 40.48 C +ATOM 446 O THR B 154 7.007 39.384 -0.476 1.00 40.01 O +ATOM 447 CB THR B 154 8.116 38.296 -3.075 1.00 40.70 C +ATOM 448 OG1 THR B 154 8.856 38.477 -4.275 1.00 41.12 O +ATOM 449 CG2 THR B 154 7.252 37.005 -3.188 1.00 39.79 C +ATOM 450 N ILE B 155 5.133 39.176 -1.669 1.00 40.89 N +ATOM 451 CA ILE B 155 4.304 39.016 -0.484 1.00 41.02 C +ATOM 452 C ILE B 155 4.216 37.523 -0.120 1.00 40.92 C +ATOM 453 O ILE B 155 3.585 36.762 -0.813 1.00 41.76 O +ATOM 454 CB ILE B 155 2.907 39.612 -0.697 1.00 41.20 C +ATOM 455 CG1 ILE B 155 3.001 41.109 -0.972 1.00 41.97 C +ATOM 456 CG2 ILE B 155 2.021 39.384 0.536 1.00 40.45 C +ATOM 457 CD1 ILE B 155 1.691 41.709 -1.534 1.00 40.60 C +ATOM 458 N ALA B 156 4.854 37.111 0.967 1.00 41.12 N +ATOM 459 CA ALA B 156 4.814 35.698 1.377 1.00 41.30 C +ATOM 460 C ALA B 156 3.549 35.423 2.195 1.00 41.15 C +ATOM 461 O ALA B 156 2.962 34.338 2.110 1.00 39.88 O +ATOM 462 CB ALA B 156 6.098 35.308 2.195 1.00 40.62 C +ATOM 463 N SER B 157 3.159 36.397 3.025 1.00 41.77 N +ATOM 464 CA SER B 157 1.960 36.259 3.800 1.00 42.35 C +ATOM 465 C SER B 157 1.236 37.569 4.019 1.00 42.64 C +ATOM 466 O SER B 157 1.837 38.633 4.000 1.00 41.95 O +ATOM 467 CB SER B 157 2.249 35.585 5.137 1.00 42.85 C +ATOM 468 OG SER B 157 2.742 36.516 6.054 1.00 47.50 O +ATOM 469 N VAL B 158 -0.083 37.452 4.162 1.00 42.77 N +ATOM 470 CA VAL B 158 -0.985 38.549 4.459 1.00 43.68 C +ATOM 471 C VAL B 158 -1.780 38.139 5.693 1.00 44.63 C +ATOM 472 O VAL B 158 -2.453 37.092 5.672 1.00 44.39 O +ATOM 473 CB VAL B 158 -2.024 38.755 3.302 1.00 43.63 C +ATOM 474 CG1 VAL B 158 -2.910 39.951 3.599 1.00 42.57 C +ATOM 475 CG2 VAL B 158 -1.325 38.886 1.933 1.00 42.87 C +ATOM 476 N ASN B 159 -1.699 38.917 6.760 1.00 46.19 N +ATOM 477 CA ASN B 159 -2.430 38.608 7.985 1.00 48.59 C +ATOM 478 C ASN B 159 -2.355 37.109 8.305 1.00 49.39 C +ATOM 479 O ASN B 159 -3.385 36.457 8.563 1.00 51.03 O +ATOM 480 CB ASN B 159 -3.919 38.996 7.853 1.00 49.00 C +ATOM 481 CG ASN B 159 -4.154 40.499 7.643 1.00 50.25 C +ATOM 482 OD1 ASN B 159 -3.281 41.344 7.869 1.00 51.04 O +ATOM 483 ND2 ASN B 159 -5.396 40.833 7.236 1.00 52.03 N +ATOM 484 N GLY B 160 -1.153 36.550 8.263 1.00 49.76 N +ATOM 485 CA GLY B 160 -0.942 35.183 8.705 1.00 49.89 C +ATOM 486 C GLY B 160 -1.379 34.121 7.715 1.00 50.06 C +ATOM 487 O GLY B 160 -1.433 32.934 8.073 1.00 50.78 O +ATOM 488 N LEU B 161 -1.728 34.532 6.492 1.00 49.27 N +ATOM 489 CA LEU B 161 -2.130 33.584 5.458 1.00 48.85 C +ATOM 490 C LEU B 161 -0.970 33.481 4.517 1.00 49.02 C +ATOM 491 O LEU B 161 -0.535 34.494 3.963 1.00 46.58 O +ATOM 492 CB LEU B 161 -3.336 34.070 4.661 1.00 48.14 C +ATOM 493 CG LEU B 161 -4.624 34.363 5.396 1.00 50.03 C +ATOM 494 CD1 LEU B 161 -5.675 34.537 4.319 1.00 53.21 C +ATOM 495 CD2 LEU B 161 -5.017 33.260 6.347 1.00 48.65 C +ATOM 496 N ASN B 162 -0.489 32.261 4.322 1.00 49.30 N +ATOM 497 CA ASN B 162 0.470 32.020 3.283 1.00 51.04 C +ATOM 498 C ASN B 162 -0.227 31.976 1.948 1.00 50.70 C +ATOM 499 O ASN B 162 -1.050 31.085 1.685 1.00 51.41 O +ATOM 500 CB ASN B 162 1.248 30.741 3.534 1.00 51.74 C +ATOM 501 CG ASN B 162 2.435 30.985 4.448 1.00 57.61 C +ATOM 502 OD1 ASN B 162 2.413 30.598 5.620 1.00 62.75 O +ATOM 503 ND2 ASN B 162 3.486 31.678 3.916 1.00 62.54 N +ATOM 504 N VAL B 163 0.141 32.916 1.092 1.00 49.82 N +ATOM 505 CA VAL B 163 -0.578 33.140 -0.124 1.00 49.32 C +ATOM 506 C VAL B 163 0.022 32.464 -1.358 1.00 48.90 C +ATOM 507 O VAL B 163 -0.484 32.661 -2.452 1.00 48.25 O +ATOM 508 CB VAL B 163 -0.854 34.668 -0.306 1.00 49.99 C +ATOM 509 CG1 VAL B 163 -1.623 35.174 0.945 1.00 49.67 C +ATOM 510 CG2 VAL B 163 0.419 35.482 -0.541 1.00 48.27 C +ATOM 511 N GLU B 164 1.033 31.615 -1.183 1.00 49.29 N +ATOM 512 CA GLU B 164 1.527 30.793 -2.301 1.00 50.44 C +ATOM 513 C GLU B 164 0.408 29.909 -2.780 1.00 49.40 C +ATOM 514 O GLU B 164 -0.396 29.466 -1.988 1.00 48.52 O +ATOM 515 CB GLU B 164 2.742 29.929 -1.929 1.00 50.70 C +ATOM 516 CG GLU B 164 2.472 28.852 -0.919 1.00 52.78 C +ATOM 517 CD GLU B 164 3.692 27.974 -0.634 1.00 53.92 C +ATOM 518 OE1 GLU B 164 4.064 27.168 -1.545 1.00 57.47 O +ATOM 519 OE2 GLU B 164 4.247 28.080 0.503 1.00 56.38 O +ATOM 520 N GLY B 165 0.329 29.713 -4.090 1.00 48.84 N +ATOM 521 CA GLY B 165 -0.649 28.846 -4.673 1.00 48.66 C +ATOM 522 C GLY B 165 -1.989 29.519 -4.861 1.00 49.54 C +ATOM 523 O GLY B 165 -2.839 28.996 -5.579 1.00 49.22 O +ATOM 524 N ILE B 166 -2.190 30.683 -4.237 1.00 49.65 N +ATOM 525 CA ILE B 166 -3.453 31.394 -4.369 1.00 49.52 C +ATOM 526 C ILE B 166 -3.378 32.213 -5.641 1.00 48.91 C +ATOM 527 O ILE B 166 -2.410 32.924 -5.871 1.00 48.93 O +ATOM 528 CB ILE B 166 -3.749 32.289 -3.157 1.00 50.02 C +ATOM 529 CG1 ILE B 166 -3.924 31.418 -1.898 1.00 49.66 C +ATOM 530 CG2 ILE B 166 -5.003 33.132 -3.385 1.00 50.48 C +ATOM 531 CD1 ILE B 166 -4.087 32.236 -0.608 1.00 48.92 C +ATOM 532 N ARG B 167 -4.407 32.090 -6.471 1.00 48.87 N +ATOM 533 CA ARG B 167 -4.453 32.827 -7.737 1.00 48.65 C +ATOM 534 C ARG B 167 -4.679 34.328 -7.514 1.00 47.03 C +ATOM 535 O ARG B 167 -5.218 34.742 -6.487 1.00 45.65 O +ATOM 536 CB ARG B 167 -5.535 32.244 -8.667 1.00 49.12 C +ATOM 537 CG ARG B 167 -6.947 32.237 -8.069 1.00 51.01 C +ATOM 538 N HIS B 168 -4.252 35.095 -8.520 1.00 45.46 N +ATOM 539 CA HIS B 168 -4.314 36.555 -8.569 1.00 44.65 C +ATOM 540 C HIS B 168 -5.634 37.166 -8.152 1.00 43.05 C +ATOM 541 O HIS B 168 -5.667 38.033 -7.297 1.00 41.99 O +ATOM 542 CB HIS B 168 -3.974 37.013 -9.994 1.00 45.46 C +ATOM 543 CG HIS B 168 -3.860 38.491 -10.141 1.00 46.74 C +ATOM 544 ND1 HIS B 168 -4.876 39.265 -10.666 1.00 49.72 N +ATOM 545 CD2 HIS B 168 -2.868 39.345 -9.811 1.00 48.23 C +ATOM 546 CE1 HIS B 168 -4.510 40.535 -10.664 1.00 49.62 C +ATOM 547 NE2 HIS B 168 -3.295 40.614 -10.148 1.00 49.73 N +ATOM 548 N ARG B 169 -6.729 36.715 -8.735 1.00 42.22 N +ATOM 549 CA ARG B 169 -8.013 37.332 -8.418 1.00 42.20 C +ATOM 550 C ARG B 169 -8.411 37.119 -6.990 1.00 41.96 C +ATOM 551 O ARG B 169 -9.024 37.999 -6.388 1.00 41.57 O +ATOM 552 CB ARG B 169 -9.151 36.820 -9.287 1.00 42.84 C +ATOM 553 CG ARG B 169 -9.488 37.741 -10.396 0.50 44.28 C +ATOM 554 CD ARG B 169 -9.026 37.161 -11.690 0.50 46.58 C +ATOM 555 NE ARG B 169 -8.315 38.186 -12.435 0.50 47.37 N +ATOM 556 CZ ARG B 169 -7.258 37.952 -13.193 0.50 45.96 C +ATOM 557 NH1 ARG B 169 -6.693 38.963 -13.818 0.50 46.22 N +ATOM 558 NH2 ARG B 169 -6.762 36.723 -13.319 0.50 45.12 N +ATOM 559 N GLU B 170 -8.065 35.951 -6.457 1.00 41.76 N +ATOM 560 CA GLU B 170 -8.336 35.667 -5.064 1.00 41.87 C +ATOM 561 C GLU B 170 -7.506 36.504 -4.124 1.00 41.11 C +ATOM 562 O GLU B 170 -8.037 37.006 -3.149 1.00 41.08 O +ATOM 563 CB GLU B 170 -8.107 34.207 -4.746 1.00 41.96 C +ATOM 564 CG GLU B 170 -9.068 33.297 -5.473 1.00 45.20 C +ATOM 565 CD GLU B 170 -9.074 31.867 -4.912 1.00 50.25 C +ATOM 566 OE1 GLU B 170 -8.744 31.671 -3.702 1.00 46.43 O +ATOM 567 OE2 GLU B 170 -9.409 30.935 -5.702 1.00 55.38 O +ATOM 568 N ILE B 171 -6.216 36.630 -4.408 1.00 40.68 N +ATOM 569 CA ILE B 171 -5.321 37.442 -3.596 1.00 41.38 C +ATOM 570 C ILE B 171 -5.779 38.913 -3.588 1.00 40.69 C +ATOM 571 O ILE B 171 -5.774 39.575 -2.548 1.00 39.90 O +ATOM 572 CB ILE B 171 -3.889 37.421 -4.124 1.00 41.75 C +ATOM 573 CG1 ILE B 171 -3.398 35.993 -4.279 1.00 44.92 C +ATOM 574 CG2 ILE B 171 -2.977 38.185 -3.157 1.00 42.99 C +ATOM 575 N VAL B 172 -6.180 39.415 -4.751 1.00 41.05 N +ATOM 576 CA VAL B 172 -6.724 40.763 -4.825 1.00 41.56 C +ATOM 577 C VAL B 172 -7.885 40.862 -3.862 1.00 41.66 C +ATOM 578 O VAL B 172 -7.915 41.768 -3.052 1.00 42.08 O +ATOM 579 CB VAL B 172 -7.166 41.201 -6.256 1.00 41.87 C +ATOM 580 CG1 VAL B 172 -8.022 42.512 -6.182 1.00 40.97 C +ATOM 581 CG2 VAL B 172 -5.960 41.417 -7.159 1.00 41.92 C +ATOM 582 N ASP B 173 -8.829 39.930 -3.951 1.00 42.47 N +ATOM 583 CA ASP B 173 -9.993 39.920 -3.054 1.00 43.51 C +ATOM 584 C ASP B 173 -9.607 39.781 -1.569 1.00 42.87 C +ATOM 585 O ASP B 173 -10.191 40.405 -0.678 1.00 42.93 O +ATOM 586 CB ASP B 173 -10.931 38.771 -3.424 1.00 44.31 C +ATOM 587 CG ASP B 173 -11.752 39.057 -4.646 1.00 48.86 C +ATOM 588 OD1 ASP B 173 -12.211 40.217 -4.809 1.00 56.98 O +ATOM 589 OD2 ASP B 173 -11.976 38.117 -5.448 1.00 54.38 O +ATOM 590 N ILE B 174 -8.636 38.941 -1.298 1.00 42.58 N +ATOM 591 CA ILE B 174 -8.182 38.774 0.064 1.00 43.12 C +ATOM 592 C ILE B 174 -7.635 40.083 0.614 1.00 42.67 C +ATOM 593 O ILE B 174 -7.965 40.462 1.717 1.00 42.07 O +ATOM 594 CB ILE B 174 -7.134 37.686 0.142 1.00 43.90 C +ATOM 595 CG1 ILE B 174 -7.799 36.325 -0.055 1.00 44.29 C +ATOM 596 CG2 ILE B 174 -6.374 37.743 1.495 1.00 45.01 C +ATOM 597 CD1 ILE B 174 -6.806 35.219 -0.273 1.00 43.41 C +ATOM 598 N ILE B 175 -6.837 40.810 -0.178 1.00 42.58 N +ATOM 599 CA ILE B 175 -6.288 42.079 0.289 1.00 41.15 C +ATOM 600 C ILE B 175 -7.361 43.131 0.454 1.00 41.44 C +ATOM 601 O ILE B 175 -7.347 43.886 1.436 1.00 40.92 O +ATOM 602 CB ILE B 175 -5.153 42.587 -0.616 1.00 40.99 C +ATOM 603 CG1 ILE B 175 -3.963 41.637 -0.482 1.00 41.18 C +ATOM 604 CG2 ILE B 175 -4.779 44.042 -0.231 1.00 39.26 C +ATOM 605 CD1 ILE B 175 -2.922 41.675 -1.620 1.00 40.78 C +ATOM 606 N LYS B 176 -8.304 43.200 -0.478 1.00 41.44 N +ATOM 607 CA LYS B 176 -9.392 44.125 -0.299 1.00 42.96 C +ATOM 608 C LYS B 176 -10.179 43.844 0.985 1.00 43.45 C +ATOM 609 O LYS B 176 -10.731 44.755 1.570 1.00 44.63 O +ATOM 610 CB LYS B 176 -10.333 44.078 -1.481 1.00 43.52 C +ATOM 611 CG LYS B 176 -9.786 44.749 -2.732 1.00 46.69 C +ATOM 612 CD LYS B 176 -10.916 44.892 -3.755 1.00 50.56 C +ATOM 613 CE LYS B 176 -10.366 45.054 -5.145 1.00 53.30 C +ATOM 614 NZ LYS B 176 -11.434 45.132 -6.179 1.00 55.60 N +ATOM 615 N ALA B 177 -10.248 42.581 1.403 1.00 43.31 N +ATOM 616 CA ALA B 177 -11.074 42.175 2.545 1.00 43.78 C +ATOM 617 C ALA B 177 -10.387 42.516 3.865 1.00 43.82 C +ATOM 618 O ALA B 177 -10.985 42.444 4.934 1.00 42.32 O +ATOM 619 CB ALA B 177 -11.345 40.629 2.477 1.00 43.37 C +ATOM 620 N SER B 178 -9.106 42.842 3.768 1.00 44.48 N +ATOM 621 CA SER B 178 -8.274 43.133 4.920 1.00 45.98 C +ATOM 622 C SER B 178 -8.637 44.457 5.626 1.00 45.47 C +ATOM 623 O SER B 178 -8.165 44.743 6.738 1.00 45.08 O +ATOM 624 CB SER B 178 -6.809 43.162 4.482 1.00 46.85 C +ATOM 625 OG SER B 178 -5.981 42.859 5.583 1.00 51.21 O +ATOM 626 N GLY B 179 -9.483 45.261 4.999 1.00 45.16 N +ATOM 627 CA GLY B 179 -9.912 46.475 5.639 1.00 45.37 C +ATOM 628 C GLY B 179 -8.778 47.485 5.597 1.00 45.62 C +ATOM 629 O GLY B 179 -8.258 47.764 4.509 1.00 45.86 O +ATOM 630 N ASN B 180 -8.402 48.024 6.759 1.00 44.72 N +ATOM 631 CA ASN B 180 -7.545 49.190 6.827 1.00 44.91 C +ATOM 632 C ASN B 180 -6.179 48.884 7.348 1.00 46.05 C +ATOM 633 O ASN B 180 -5.328 49.760 7.360 1.00 45.59 O +ATOM 634 CB ASN B 180 -8.152 50.239 7.743 1.00 44.77 C +ATOM 635 CG ASN B 180 -9.302 50.952 7.117 1.00 43.72 C +ATOM 636 OD1 ASN B 180 -9.372 51.129 5.909 1.00 43.89 O +ATOM 637 ND2 ASN B 180 -10.218 51.368 7.939 1.00 42.98 N +ATOM 638 N VAL B 181 -5.983 47.655 7.816 1.00 46.90 N +ATOM 639 CA VAL B 181 -4.681 47.222 8.306 1.00 47.95 C +ATOM 640 C VAL B 181 -4.284 45.970 7.572 1.00 47.50 C +ATOM 641 O VAL B 181 -5.090 45.058 7.395 1.00 47.31 O +ATOM 642 CB VAL B 181 -4.693 46.920 9.811 1.00 48.33 C +ATOM 643 CG1 VAL B 181 -5.809 45.915 10.137 1.00 51.11 C +ATOM 644 CG2 VAL B 181 -3.346 46.379 10.240 1.00 48.31 C +ATOM 645 N LEU B 182 -3.025 45.939 7.164 1.00 47.87 N +ATOM 646 CA LEU B 182 -2.505 44.890 6.323 1.00 47.85 C +ATOM 647 C LEU B 182 -1.147 44.514 6.878 1.00 47.88 C +ATOM 648 O LEU B 182 -0.224 45.334 6.868 1.00 47.16 O +ATOM 649 CB LEU B 182 -2.408 45.435 4.900 1.00 48.72 C +ATOM 650 CG LEU B 182 -2.423 44.519 3.696 1.00 49.30 C +ATOM 651 CD1 LEU B 182 -3.625 43.575 3.729 1.00 50.49 C +ATOM 652 CD2 LEU B 182 -2.360 45.357 2.391 1.00 47.66 C +ATOM 653 N ARG B 183 -1.036 43.285 7.391 1.00 48.22 N +ATOM 654 CA ARG B 183 0.215 42.807 7.972 1.00 49.46 C +ATOM 655 C ARG B 183 0.924 41.940 6.942 1.00 48.76 C +ATOM 656 O ARG B 183 0.481 40.832 6.701 1.00 49.26 O +ATOM 657 CB ARG B 183 -0.055 41.974 9.236 1.00 50.40 C +ATOM 658 CG ARG B 183 0.773 42.410 10.441 1.00 53.67 C +ATOM 659 CD ARG B 183 1.422 41.232 11.241 1.00 55.88 C +ATOM 660 NE ARG B 183 2.257 41.833 12.275 1.00 56.20 N +ATOM 661 CZ ARG B 183 3.454 41.417 12.690 1.00 55.79 C +ATOM 662 NH1 ARG B 183 4.084 42.131 13.635 1.00 58.74 N +ATOM 663 NH2 ARG B 183 4.027 40.321 12.209 1.00 51.61 N +ATOM 664 N LEU B 184 1.991 42.450 6.321 1.00 47.55 N +ATOM 665 CA LEU B 184 2.656 41.751 5.215 1.00 47.36 C +ATOM 666 C LEU B 184 3.980 41.194 5.683 1.00 46.66 C +ATOM 667 O LEU B 184 4.694 41.858 6.421 1.00 47.22 O +ATOM 668 CB LEU B 184 2.905 42.667 4.014 1.00 46.75 C +ATOM 669 CG LEU B 184 1.675 43.284 3.331 1.00 46.43 C +ATOM 670 CD1 LEU B 184 2.080 44.038 2.053 1.00 46.24 C +ATOM 671 CD2 LEU B 184 0.625 42.214 3.024 1.00 43.21 C +ATOM 672 N GLU B 185 4.268 39.958 5.305 1.00 45.08 N +ATOM 673 CA GLU B 185 5.636 39.431 5.394 1.00 45.20 C +ATOM 674 C GLU B 185 6.186 39.335 3.980 1.00 43.53 C +ATOM 675 O GLU B 185 5.626 38.639 3.127 1.00 42.79 O +ATOM 676 CB GLU B 185 5.645 38.073 6.073 1.00 45.29 C +ATOM 677 CG GLU B 185 5.266 38.155 7.573 1.00 47.82 C +ATOM 678 CD GLU B 185 5.330 36.829 8.301 1.00 49.10 C +ATOM 679 OE1 GLU B 185 5.587 35.786 7.662 1.00 56.63 O +ATOM 680 OE2 GLU B 185 5.126 36.823 9.543 1.00 58.44 O +ATOM 681 N THR B 186 7.237 40.112 3.712 1.00 43.18 N +ATOM 682 CA THR B 186 7.878 40.152 2.408 1.00 42.07 C +ATOM 683 C THR B 186 9.251 39.499 2.551 1.00 41.53 C +ATOM 684 O THR B 186 9.667 39.180 3.650 1.00 41.41 O +ATOM 685 CB THR B 186 7.969 41.615 1.854 1.00 43.09 C +ATOM 686 OG1 THR B 186 8.814 42.411 2.700 1.00 42.89 O +ATOM 687 CG2 THR B 186 6.539 42.266 1.753 1.00 43.23 C +ATOM 688 N LEU B 187 9.924 39.235 1.439 1.00 40.08 N +ATOM 689 CA LEU B 187 11.196 38.543 1.470 1.00 39.44 C +ATOM 690 C LEU B 187 12.307 39.572 1.403 1.00 39.49 C +ATOM 691 O LEU B 187 12.180 40.590 0.762 1.00 39.07 O +ATOM 692 CB LEU B 187 11.313 37.575 0.300 1.00 39.27 C +ATOM 693 CG LEU B 187 10.120 36.656 0.193 1.00 38.53 C +ATOM 694 CD1 LEU B 187 10.296 35.714 -1.022 1.00 39.64 C +ATOM 695 CD2 LEU B 187 9.996 35.888 1.504 1.00 37.61 C +ATOM 696 N TYR B 188 13.396 39.311 2.090 1.00 39.96 N +ATOM 697 CA TYR B 188 14.556 40.189 1.977 1.00 41.34 C +ATOM 698 C TYR B 188 15.210 39.974 0.613 1.00 40.15 C +ATOM 699 O TYR B 188 15.319 38.822 0.148 1.00 38.46 O +ATOM 700 CB TYR B 188 15.567 39.885 3.087 1.00 43.80 C +ATOM 701 CG TYR B 188 15.177 40.470 4.434 1.00 47.32 C +ATOM 702 CD1 TYR B 188 14.665 39.650 5.451 1.00 51.19 C +ATOM 703 CD2 TYR B 188 15.342 41.827 4.705 1.00 50.05 C +ATOM 704 CE1 TYR B 188 14.309 40.161 6.699 1.00 50.95 C +ATOM 705 CE2 TYR B 188 15.004 42.355 5.976 1.00 50.93 C +ATOM 706 CZ TYR B 188 14.480 41.514 6.956 1.00 50.97 C +ATOM 707 OH TYR B 188 14.143 42.013 8.219 1.00 53.01 O +ATOM 708 N SER B 189 15.597 41.086 0.006 1.00 39.13 N +ATOM 709 CA SER B 189 16.352 41.144 -1.246 1.00 39.99 C +ATOM 710 C SER B 189 17.846 41.320 -1.000 1.00 39.24 C +ATOM 711 O SER B 189 18.257 42.035 -0.094 1.00 40.13 O +ATOM 712 CB SER B 189 15.885 42.323 -2.103 1.00 39.52 C +ATOM 713 OG SER B 189 14.514 42.173 -2.455 1.00 42.57 O +ATOM 714 N SER B 190 18.657 40.676 -1.825 1.00 37.79 N +ATOM 715 CA SER B 190 20.100 40.842 -1.759 1.00 36.56 C +ATOM 716 C SER B 190 20.616 41.215 -3.123 1.00 36.64 C +ATOM 717 O SER B 190 20.181 40.665 -4.120 1.00 36.18 O +ATOM 718 CB SER B 190 20.754 39.561 -1.309 1.00 36.60 C +ATOM 719 OG SER B 190 20.376 39.262 0.011 1.00 34.83 O +ATOM 720 N THR B 191 21.519 42.175 -3.163 1.00 36.21 N +ATOM 721 CA THR B 191 22.108 42.636 -4.403 1.00 37.33 C +ATOM 722 C THR B 191 23.410 41.896 -4.692 1.00 37.26 C +ATOM 723 O THR B 191 24.208 41.665 -3.782 1.00 38.44 O +ATOM 724 CB THR B 191 22.374 44.141 -4.324 1.00 36.87 C +ATOM 725 OG1 THR B 191 21.125 44.767 -4.052 1.00 38.93 O +ATOM 726 CG2 THR B 191 22.901 44.668 -5.624 1.00 38.12 C +ATOM 727 N LEU B 192 23.602 41.508 -5.955 1.00 36.84 N +ATOM 728 CA LEU B 192 24.778 40.767 -6.387 1.00 36.40 C +ATOM 729 C LEU B 192 25.372 41.437 -7.618 1.00 36.25 C +ATOM 730 O LEU B 192 26.559 41.230 -7.916 1.00 36.57 O +ATOM 731 CB LEU B 192 24.421 39.303 -6.675 1.00 36.12 C +ATOM 732 CG LEU B 192 24.159 38.341 -5.506 1.00 35.89 C +ATOM 733 CD1 LEU B 192 25.296 38.362 -4.445 1.00 36.30 C +ATOM 734 CD2 LEU B 192 22.851 38.636 -4.874 1.00 37.01 C +ATOM 735 OXT LEU B 192 24.718 42.243 -8.301 1.00 35.70 O Added: SwiftApps/modFTdock/input/2rii-2.pdb =================================================================== --- SwiftApps/modFTdock/input/2rii-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/2rii-2.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,820 @@ +ATOM 1 N SER X 32 -33.309 14.782 -20.125 1.00 43.15 N +ATOM 2 CA SER X 32 -32.744 15.282 -21.417 1.00 43.27 C +ATOM 3 C SER X 32 -33.712 14.941 -22.548 1.00 43.50 C +ATOM 4 O SER X 32 -33.828 13.787 -22.951 1.00 43.36 O +ATOM 5 CB SER X 32 -31.338 14.697 -21.697 1.00 43.22 C +ATOM 6 OG SER X 32 -30.270 15.484 -21.163 1.00 41.92 O +ATOM 7 N ILE X 33 -34.421 15.959 -23.030 1.00 44.05 N +ATOM 8 CA ILE X 33 -35.338 15.844 -24.179 1.00 44.43 C +ATOM 9 C ILE X 33 -34.592 15.605 -25.524 1.00 44.84 C +ATOM 10 O ILE X 33 -35.089 14.900 -26.407 1.00 44.99 O +ATOM 11 CB ILE X 33 -36.339 17.083 -24.238 1.00 44.44 C +ATOM 12 CG1 ILE X 33 -37.412 16.915 -25.333 1.00 44.31 C +ATOM 13 CG2 ILE X 33 -35.580 18.443 -24.328 1.00 44.81 C +ATOM 14 CD1 ILE X 33 -38.511 17.983 -25.338 1.00 43.93 C +ATOM 15 N HIS X 34 -33.386 16.162 -25.638 1.00 45.21 N +ATOM 16 CA HIS X 34 -32.608 16.220 -26.888 1.00 45.51 C +ATOM 17 C HIS X 34 -31.456 15.192 -26.992 1.00 45.04 C +ATOM 18 O HIS X 34 -31.582 14.059 -26.538 1.00 44.93 O +ATOM 19 CB HIS X 34 -32.068 17.665 -27.091 1.00 46.16 C +ATOM 20 CG HIS X 34 -31.310 18.224 -25.907 1.00 47.64 C +ATOM 21 ND1 HIS X 34 -31.931 18.879 -24.859 1.00 48.08 N +ATOM 22 CD2 HIS X 34 -29.982 18.242 -25.620 1.00 47.96 C +ATOM 23 CE1 HIS X 34 -31.023 19.256 -23.972 1.00 48.03 C +ATOM 24 NE2 HIS X 34 -29.833 18.884 -24.411 1.00 48.14 N +ATOM 25 N SER X 35 -30.372 15.622 -27.644 1.00 44.71 N +ATOM 26 CA SER X 35 -29.039 14.990 -27.720 1.00 44.48 C +ATOM 27 C SER X 35 -28.267 15.810 -28.781 1.00 44.65 C +ATOM 28 O SER X 35 -28.879 16.326 -29.720 1.00 44.58 O +ATOM 29 CB SER X 35 -29.088 13.494 -28.094 1.00 44.57 C +ATOM 30 OG SER X 35 -29.207 12.635 -26.964 1.00 43.44 O +ATOM 31 N GLY X 36 -26.949 15.959 -28.639 1.00 44.68 N +ATOM 32 CA GLY X 36 -26.161 16.746 -29.610 1.00 44.56 C +ATOM 33 C GLY X 36 -24.926 16.036 -30.148 1.00 44.50 C +ATOM 34 O GLY X 36 -23.817 16.587 -30.097 1.00 44.68 O +ATOM 35 N ARG X 37 -25.115 14.827 -30.685 1.00 44.27 N +ATOM 36 CA ARG X 37 -23.990 13.920 -31.010 1.00 44.35 C +ATOM 37 C ARG X 37 -23.405 14.170 -32.418 1.00 43.84 C +ATOM 38 O ARG X 37 -24.098 14.749 -33.259 1.00 44.01 O +ATOM 39 CB ARG X 37 -24.381 12.433 -30.811 1.00 44.62 C +ATOM 40 CG ARG X 37 -25.013 12.017 -29.435 1.00 45.81 C +ATOM 41 CD ARG X 37 -24.913 13.082 -28.302 1.00 47.94 C +ATOM 42 NE ARG X 37 -23.565 13.252 -27.742 1.00 48.26 N +ATOM 43 CZ ARG X 37 -23.262 13.201 -26.443 1.00 48.27 C +ATOM 44 NH1 ARG X 37 -24.205 13.007 -25.526 1.00 47.78 N +ATOM 45 NH2 ARG X 37 -22.002 13.358 -26.055 1.00 48.52 N +ATOM 46 N ILE X 38 -22.167 13.730 -32.704 1.00 43.20 N +ATOM 47 CA ILE X 38 -21.359 12.805 -31.864 1.00 42.08 C +ATOM 48 C ILE X 38 -19.939 13.296 -31.426 1.00 41.73 C +ATOM 49 O ILE X 38 -19.047 12.456 -31.209 1.00 41.85 O +ATOM 50 CB ILE X 38 -21.196 11.360 -32.542 1.00 42.54 C +ATOM 51 CG1 ILE X 38 -22.137 11.143 -33.746 1.00 42.75 C +ATOM 52 CG2 ILE X 38 -21.314 10.223 -31.497 1.00 42.55 C +ATOM 53 CD1 ILE X 38 -21.879 9.831 -34.531 1.00 42.09 C +ATOM 54 N ALA X 39 -19.710 14.613 -31.291 1.00 40.64 N +ATOM 55 CA ALA X 39 -18.385 15.118 -30.816 1.00 39.62 C +ATOM 56 C ALA X 39 -18.128 16.646 -30.791 1.00 37.82 C +ATOM 57 O ALA X 39 -17.022 17.087 -31.108 1.00 37.94 O +ATOM 58 CB ALA X 39 -17.204 14.387 -31.571 1.00 39.35 C +ATOM 59 N ALA X 40 -19.108 17.454 -30.396 1.00 35.70 N +ATOM 60 CA ALA X 40 -18.895 18.913 -30.330 1.00 33.56 C +ATOM 61 C ALA X 40 -18.015 19.367 -29.133 1.00 32.08 C +ATOM 62 O ALA X 40 -18.189 18.895 -28.001 1.00 31.62 O +ATOM 63 CB ALA X 40 -20.245 19.650 -30.333 1.00 33.68 C +ATOM 64 N VAL X 41 -17.079 20.284 -29.386 1.00 30.15 N +ATOM 65 CA VAL X 41 -16.217 20.818 -28.316 1.00 28.31 C +ATOM 66 C VAL X 41 -16.603 22.232 -27.860 1.00 27.08 C +ATOM 67 O VAL X 41 -16.783 23.131 -28.698 1.00 27.60 O +ATOM 68 CB VAL X 41 -14.742 20.816 -28.706 1.00 28.27 C +ATOM 69 CG1 VAL X 41 -13.898 21.332 -27.531 1.00 28.61 C +ATOM 70 CG2 VAL X 41 -14.308 19.432 -29.100 1.00 27.57 C +ATOM 71 N HIS X 42 -16.704 22.424 -26.540 1.00 24.78 N +ATOM 72 CA HIS X 42 -17.166 23.687 -25.929 1.00 22.88 C +ATOM 73 C HIS X 42 -16.155 24.280 -24.908 1.00 22.21 C +ATOM 74 O HIS X 42 -15.373 23.555 -24.265 1.00 22.12 O +ATOM 75 CB HIS X 42 -18.514 23.477 -25.217 1.00 22.38 C +ATOM 76 CG HIS X 42 -19.652 23.146 -26.133 1.00 20.78 C +ATOM 77 ND1 HIS X 42 -20.637 24.053 -26.454 1.00 20.69 N +ATOM 78 CD2 HIS X 42 -19.971 22.005 -26.787 1.00 20.38 C +ATOM 79 CE1 HIS X 42 -21.505 23.493 -27.282 1.00 19.45 C +ATOM 80 NE2 HIS X 42 -21.122 22.250 -27.500 1.00 19.61 N +ATOM 81 N ASN X 43 -16.185 25.597 -24.748 1.00 20.90 N +ATOM 82 CA ASN X 43 -15.350 26.258 -23.773 1.00 19.90 C +ATOM 83 C ASN X 43 -16.204 26.388 -22.554 1.00 19.41 C +ATOM 84 O ASN X 43 -17.100 27.233 -22.525 1.00 20.17 O +ATOM 85 CB ASN X 43 -14.926 27.633 -24.278 1.00 19.65 C +ATOM 86 CG ASN X 43 -14.089 27.556 -25.538 1.00 19.79 C +ATOM 87 OD1 ASN X 43 -12.928 27.162 -25.502 1.00 20.24 O +ATOM 88 ND2 ASN X 43 -14.675 27.940 -26.659 1.00 19.41 N +ATOM 89 N VAL X 44 -15.980 25.538 -21.559 1.00 18.39 N +ATOM 90 CA VAL X 44 -16.933 25.474 -20.434 1.00 18.03 C +ATOM 91 C VAL X 44 -16.294 26.039 -19.191 1.00 17.52 C +ATOM 92 O VAL X 44 -15.115 25.804 -18.963 1.00 17.79 O +ATOM 93 CB VAL X 44 -17.634 24.047 -20.254 1.00 17.86 C +ATOM 94 CG1 VAL X 44 -16.872 22.963 -20.940 1.00 16.31 C +ATOM 95 CG2 VAL X 44 -17.901 23.693 -18.785 1.00 18.58 C +ATOM 96 N PRO X 45 -17.047 26.854 -18.436 1.00 17.05 N +ATOM 97 CA PRO X 45 -16.492 27.644 -17.353 1.00 16.74 C +ATOM 98 C PRO X 45 -16.188 26.748 -16.192 1.00 17.30 C +ATOM 99 O PRO X 45 -17.026 25.891 -15.846 1.00 17.12 O +ATOM 100 CB PRO X 45 -17.638 28.569 -16.965 1.00 15.97 C +ATOM 101 CG PRO X 45 -18.577 28.494 -18.062 1.00 16.02 C +ATOM 102 CD PRO X 45 -18.480 27.111 -18.581 1.00 16.76 C +ATOM 103 N LEU X 46 -15.001 26.941 -15.598 1.00 17.49 N +ATOM 104 CA LEU X 46 -14.601 26.169 -14.421 1.00 17.43 C +ATOM 105 C LEU X 46 -15.557 26.432 -13.258 1.00 17.79 C +ATOM 106 O LEU X 46 -15.787 25.557 -12.443 1.00 17.90 O +ATOM 107 CB LEU X 46 -13.175 26.492 -13.985 1.00 17.15 C +ATOM 108 CG LEU X 46 -11.888 26.288 -14.785 1.00 16.61 C +ATOM 109 CD1 LEU X 46 -10.915 25.881 -13.756 1.00 17.81 C +ATOM 110 CD2 LEU X 46 -11.904 25.216 -15.840 1.00 16.29 C +ATOM 111 N SER X 47 -16.139 27.626 -13.212 1.00 18.17 N +ATOM 112 CA SER X 47 -17.002 28.019 -12.084 1.00 18.55 C +ATOM 113 C SER X 47 -18.281 27.165 -11.983 1.00 18.70 C +ATOM 114 O SER X 47 -19.052 27.297 -11.008 1.00 18.34 O +ATOM 115 CB SER X 47 -17.361 29.514 -12.163 1.00 17.83 C +ATOM 116 OG SER X 47 -18.608 29.707 -12.797 1.00 17.35 O +ATOM 117 N VAL X 48 -18.457 26.295 -12.985 1.00 18.42 N +ATOM 118 CA VAL X 48 -19.707 25.580 -13.277 1.00 18.49 C +ATOM 119 C VAL X 48 -19.498 24.052 -13.162 1.00 18.77 C +ATOM 120 O VAL X 48 -20.464 23.260 -13.078 1.00 19.51 O +ATOM 121 CB VAL X 48 -20.227 26.035 -14.716 1.00 18.53 C +ATOM 122 CG1 VAL X 48 -20.756 24.927 -15.536 1.00 16.82 C +ATOM 123 CG2 VAL X 48 -21.211 27.208 -14.623 1.00 18.32 C +ATOM 124 N LEU X 49 -18.231 23.644 -13.153 1.00 18.28 N +ATOM 125 CA LEU X 49 -17.866 22.244 -12.957 1.00 17.75 C +ATOM 126 C LEU X 49 -17.835 21.795 -11.502 1.00 17.25 C +ATOM 127 O LEU X 49 -17.099 22.354 -10.678 1.00 17.58 O +ATOM 128 CB LEU X 49 -16.500 21.958 -13.565 1.00 17.72 C +ATOM 129 CG LEU X 49 -16.445 22.031 -15.072 1.00 17.79 C +ATOM 130 CD1 LEU X 49 -15.129 21.488 -15.540 1.00 19.79 C +ATOM 131 CD2 LEU X 49 -17.599 21.276 -15.672 1.00 17.84 C +ATOM 132 N ILE X 50 -18.627 20.773 -11.209 1.00 16.51 N +ATOM 133 CA ILE X 50 -18.622 20.103 -9.932 1.00 16.12 C +ATOM 134 C ILE X 50 -17.593 19.005 -10.051 1.00 16.84 C +ATOM 135 O ILE X 50 -17.691 18.153 -10.939 1.00 17.01 O +ATOM 136 CB ILE X 50 -19.961 19.457 -9.672 1.00 15.74 C +ATOM 137 CG1 ILE X 50 -21.066 20.511 -9.716 1.00 15.16 C +ATOM 138 CG2 ILE X 50 -19.936 18.714 -8.354 1.00 15.17 C +ATOM 139 CD1 ILE X 50 -22.329 20.048 -10.402 1.00 13.15 C +ATOM 140 N ARG X 51 -16.597 19.042 -9.170 1.00 17.51 N +ATOM 141 CA ARG X 51 -15.505 18.085 -9.171 1.00 17.73 C +ATOM 142 C ARG X 51 -15.528 17.325 -7.857 1.00 17.96 C +ATOM 143 O ARG X 51 -14.691 17.585 -6.991 1.00 18.52 O +ATOM 144 CB ARG X 51 -14.179 18.816 -9.289 1.00 18.13 C +ATOM 145 CG ARG X 51 -13.607 18.927 -10.690 1.00 19.83 C +ATOM 146 CD ARG X 51 -12.118 18.434 -10.690 1.00 22.06 C +ATOM 147 NE ARG X 51 -11.864 17.631 -11.890 1.00 24.89 N +ATOM 148 CZ ARG X 51 -11.099 16.540 -11.930 1.00 27.35 C +ATOM 149 NH1 ARG X 51 -10.469 16.111 -10.835 1.00 28.62 N +ATOM 150 NH2 ARG X 51 -10.959 15.870 -13.070 1.00 27.91 N +ATOM 151 N PRO X 52 -16.478 16.384 -7.705 1.00 17.79 N +ATOM 152 CA PRO X 52 -16.777 15.796 -6.417 1.00 17.92 C +ATOM 153 C PRO X 52 -15.756 14.800 -5.870 1.00 18.71 C +ATOM 154 O PRO X 52 -15.804 14.463 -4.692 1.00 18.49 O +ATOM 155 CB PRO X 52 -18.122 15.108 -6.670 1.00 17.97 C +ATOM 156 CG PRO X 52 -18.107 14.757 -8.068 1.00 17.63 C +ATOM 157 CD PRO X 52 -17.342 15.828 -8.766 1.00 17.75 C +ATOM 158 N LEU X 53 -14.845 14.320 -6.703 1.00 20.35 N +ATOM 159 CA LEU X 53 -13.897 13.306 -6.263 1.00 21.49 C +ATOM 160 C LEU X 53 -12.537 13.869 -5.886 1.00 22.94 C +ATOM 161 O LEU X 53 -11.914 14.611 -6.667 1.00 23.06 O +ATOM 162 CB LEU X 53 -13.702 12.249 -7.330 1.00 21.38 C +ATOM 163 CG LEU X 53 -14.901 11.373 -7.663 1.00 22.36 C +ATOM 164 CD1 LEU X 53 -14.470 10.402 -8.728 1.00 21.98 C +ATOM 165 CD2 LEU X 53 -15.461 10.646 -6.437 1.00 21.95 C +ATOM 166 N PRO X 54 -12.059 13.476 -4.696 1.00 24.01 N +ATOM 167 CA PRO X 54 -10.758 13.796 -4.140 1.00 25.12 C +ATOM 168 C PRO X 54 -9.620 13.511 -5.126 1.00 26.46 C +ATOM 169 O PRO X 54 -9.311 12.356 -5.433 1.00 26.61 O +ATOM 170 CB PRO X 54 -10.665 12.863 -2.943 1.00 25.11 C +ATOM 171 CG PRO X 54 -12.075 12.680 -2.534 1.00 24.70 C +ATOM 172 CD PRO X 54 -12.837 12.608 -3.794 1.00 24.02 C +ATOM 173 N SER X 55 -9.022 14.579 -5.634 1.00 27.58 N +ATOM 174 CA SER X 55 -7.902 14.449 -6.534 1.00 28.88 C +ATOM 175 C SER X 55 -6.711 13.875 -5.770 1.00 29.05 C +ATOM 176 O SER X 55 -6.502 14.221 -4.610 1.00 29.35 O +ATOM 177 CB SER X 55 -7.551 15.835 -7.108 1.00 29.59 C +ATOM 178 OG SER X 55 -8.538 16.304 -8.039 1.00 30.77 O +ATOM 179 N VAL X 56 -5.959 12.981 -6.401 1.00 29.05 N +ATOM 180 CA VAL X 56 -4.603 12.638 -5.927 1.00 29.03 C +ATOM 181 C VAL X 56 -3.589 12.856 -7.069 1.00 28.88 C +ATOM 182 O VAL X 56 -3.578 12.118 -8.072 1.00 28.81 O +ATOM 183 CB VAL X 56 -4.510 11.198 -5.326 1.00 29.21 C +ATOM 184 CG1 VAL X 56 -5.212 10.145 -6.237 1.00 29.84 C +ATOM 185 CG2 VAL X 56 -3.047 10.825 -5.013 1.00 28.59 C +ATOM 186 N LEU X 57 -2.749 13.878 -6.924 1.00 28.35 N +ATOM 187 CA LEU X 57 -2.010 14.385 -8.074 1.00 27.76 C +ATOM 188 C LEU X 57 -0.507 14.223 -7.961 1.00 27.52 C +ATOM 189 O LEU X 57 0.083 14.543 -6.925 1.00 27.38 O +ATOM 190 CB LEU X 57 -2.347 15.856 -8.283 1.00 27.91 C +ATOM 191 CG LEU X 57 -3.829 16.246 -8.291 1.00 28.13 C +ATOM 192 CD1 LEU X 57 -4.005 17.712 -7.905 1.00 28.88 C +ATOM 193 CD2 LEU X 57 -4.507 15.937 -9.642 1.00 28.27 C +ATOM 194 N ASP X 58 0.101 13.721 -9.037 1.00 27.28 N +ATOM 195 CA ASP X 58 1.551 13.783 -9.221 1.00 26.79 C +ATOM 196 C ASP X 58 1.939 15.222 -9.579 1.00 26.15 C +ATOM 197 O ASP X 58 1.668 15.661 -10.695 1.00 26.02 O +ATOM 198 CB ASP X 58 1.980 12.832 -10.338 1.00 26.69 C +ATOM 199 CG ASP X 58 3.424 13.065 -10.792 1.00 27.38 C +ATOM 200 OD1 ASP X 58 4.222 13.689 -10.040 1.00 25.47 O +ATOM 201 OD2 ASP X 58 3.754 12.612 -11.915 1.00 27.99 O +ATOM 202 N PRO X 59 2.592 15.954 -8.647 1.00 25.76 N +ATOM 203 CA PRO X 59 2.761 17.409 -8.836 1.00 25.34 C +ATOM 204 C PRO X 59 3.629 17.726 -10.050 1.00 24.76 C +ATOM 205 O PRO X 59 3.361 18.671 -10.773 1.00 24.40 O +ATOM 206 CB PRO X 59 3.462 17.872 -7.550 1.00 25.29 C +ATOM 207 CG PRO X 59 3.391 16.716 -6.596 1.00 25.79 C +ATOM 208 CD PRO X 59 3.254 15.475 -7.422 1.00 25.89 C +ATOM 209 N ALA X 60 4.651 16.913 -10.265 1.00 24.69 N +ATOM 210 CA ALA X 60 5.549 17.065 -11.394 1.00 24.67 C +ATOM 211 C ALA X 60 4.822 16.920 -12.733 1.00 24.55 C +ATOM 212 O ALA X 60 5.219 17.540 -13.728 1.00 24.26 O +ATOM 213 CB ALA X 60 6.721 16.074 -11.282 1.00 24.40 C +ATOM 214 N LYS X 61 3.765 16.111 -12.755 1.00 24.53 N +ATOM 215 CA LYS X 61 2.957 15.972 -13.963 1.00 24.81 C +ATOM 216 C LYS X 61 2.051 17.170 -14.129 1.00 24.37 C +ATOM 217 O LYS X 61 1.881 17.667 -15.242 1.00 24.84 O +ATOM 218 CB LYS X 61 2.141 14.683 -13.981 1.00 25.12 C +ATOM 219 CG LYS X 61 1.204 14.611 -15.191 1.00 28.07 C +ATOM 220 CD LYS X 61 1.074 13.215 -15.806 1.00 32.70 C +ATOM 221 CE LYS X 61 2.027 13.040 -16.993 1.00 34.96 C +ATOM 222 NZ LYS X 61 1.874 11.694 -17.634 1.00 36.89 N +ATOM 223 N VAL X 62 1.464 17.629 -13.030 1.00 23.97 N +ATOM 224 CA VAL X 62 0.736 18.889 -13.046 1.00 23.84 C +ATOM 225 C VAL X 62 1.690 19.973 -13.566 1.00 24.44 C +ATOM 226 O VAL X 62 1.458 20.512 -14.651 1.00 24.79 O +ATOM 227 CB VAL X 62 0.078 19.264 -11.669 1.00 23.75 C +ATOM 228 CG1 VAL X 62 -0.662 20.576 -11.781 1.00 23.57 C +ATOM 229 CG2 VAL X 62 -0.898 18.185 -11.198 1.00 21.92 C +ATOM 230 N GLN X 63 2.779 20.251 -12.837 1.00 24.85 N +ATOM 231 CA GLN X 63 3.792 21.238 -13.277 1.00 24.82 C +ATOM 232 C GLN X 63 4.161 21.155 -14.761 1.00 24.49 C +ATOM 233 O GLN X 63 4.447 22.175 -15.375 1.00 24.83 O +ATOM 234 CB GLN X 63 5.073 21.191 -12.419 1.00 25.04 C +ATOM 235 CG GLN X 63 4.999 21.818 -10.993 1.00 27.04 C +ATOM 236 CD GLN X 63 4.340 23.220 -10.936 1.00 30.24 C +ATOM 237 OE1 GLN X 63 4.968 24.252 -11.236 1.00 29.39 O +ATOM 238 NE2 GLN X 63 3.065 23.248 -10.521 1.00 31.76 N +ATOM 239 N SER X 64 4.144 19.955 -15.336 1.00 24.45 N +ATOM 240 CA SER X 64 4.482 19.750 -16.757 1.00 24.33 C +ATOM 241 C SER X 64 3.350 20.110 -17.737 1.00 24.29 C +ATOM 242 O SER X 64 3.552 20.847 -18.718 1.00 24.44 O +ATOM 243 CB SER X 64 4.910 18.304 -16.986 1.00 24.61 C +ATOM 244 OG SER X 64 5.736 18.197 -18.135 1.00 25.14 O +ATOM 245 N LEU X 65 2.163 19.570 -17.479 1.00 23.58 N +ATOM 246 CA LEU X 65 0.983 19.951 -18.227 1.00 22.71 C +ATOM 247 C LEU X 65 0.755 21.460 -18.279 1.00 22.41 C +ATOM 248 O LEU X 65 0.221 21.968 -19.264 1.00 22.61 O +ATOM 249 CB LEU X 65 -0.243 19.271 -17.648 1.00 22.65 C +ATOM 250 CG LEU X 65 -0.529 17.935 -18.289 1.00 21.82 C +ATOM 251 CD1 LEU X 65 -1.737 17.315 -17.630 1.00 21.28 C +ATOM 252 CD2 LEU X 65 -0.752 18.145 -19.777 1.00 21.78 C +ATOM 253 N VAL X 66 1.149 22.175 -17.229 1.00 21.72 N +ATOM 254 CA VAL X 66 1.021 23.634 -17.229 1.00 21.32 C +ATOM 255 C VAL X 66 1.848 24.242 -18.356 1.00 21.29 C +ATOM 256 O VAL X 66 1.342 25.033 -19.137 1.00 20.84 O +ATOM 257 CB VAL X 66 1.412 24.253 -15.877 1.00 21.05 C +ATOM 258 CG1 VAL X 66 1.333 25.759 -15.931 1.00 20.31 C +ATOM 259 CG2 VAL X 66 0.501 23.741 -14.799 1.00 20.80 C +ATOM 260 N ASP X 67 3.111 23.836 -18.442 1.00 21.72 N +ATOM 261 CA ASP X 67 3.999 24.255 -19.525 1.00 22.07 C +ATOM 262 C ASP X 67 3.355 23.985 -20.906 1.00 22.12 C +ATOM 263 O ASP X 67 3.398 24.846 -21.790 1.00 22.32 O +ATOM 264 CB ASP X 67 5.382 23.572 -19.398 1.00 22.02 C +ATOM 265 CG ASP X 67 6.352 24.294 -18.409 1.00 23.04 C +ATOM 266 OD1 ASP X 67 6.158 25.479 -18.033 1.00 22.42 O +ATOM 267 OD2 ASP X 67 7.359 23.657 -18.019 1.00 26.20 O +ATOM 268 N THR X 68 2.726 22.819 -21.070 1.00 21.96 N +ATOM 269 CA THR X 68 2.120 22.427 -22.363 1.00 21.97 C +ATOM 270 C THR X 68 0.869 23.251 -22.751 1.00 22.00 C +ATOM 271 O THR X 68 0.658 23.587 -23.925 1.00 22.23 O +ATOM 272 CB THR X 68 1.811 20.888 -22.426 1.00 21.89 C +ATOM 273 OG1 THR X 68 2.922 20.141 -21.906 1.00 22.41 O +ATOM 274 CG2 THR X 68 1.546 20.431 -23.845 1.00 20.80 C +ATOM 275 N ILE X 69 0.037 23.575 -21.773 1.00 21.62 N +ATOM 276 CA ILE X 69 -1.156 24.351 -22.059 1.00 21.17 C +ATOM 277 C ILE X 69 -0.787 25.803 -22.412 1.00 21.75 C +ATOM 278 O ILE X 69 -1.377 26.427 -23.308 1.00 21.98 O +ATOM 279 CB ILE X 69 -2.122 24.275 -20.894 1.00 20.54 C +ATOM 280 CG1 ILE X 69 -2.569 22.821 -20.710 1.00 20.77 C +ATOM 281 CG2 ILE X 69 -3.307 25.189 -21.123 1.00 19.34 C +ATOM 282 CD1 ILE X 69 -3.194 22.541 -19.370 1.00 18.98 C +ATOM 283 N ARG X 70 0.210 26.335 -21.727 1.00 21.66 N +ATOM 284 CA ARG X 70 0.619 27.678 -22.011 1.00 22.29 C +ATOM 285 C ARG X 70 1.049 27.804 -23.453 1.00 22.60 C +ATOM 286 O ARG X 70 0.687 28.759 -24.130 1.00 22.28 O +ATOM 287 CB ARG X 70 1.782 28.075 -21.120 1.00 22.11 C +ATOM 288 CG ARG X 70 2.458 29.335 -21.584 1.00 23.52 C +ATOM 289 CD ARG X 70 3.576 29.711 -20.699 1.00 25.30 C +ATOM 290 NE ARG X 70 3.126 29.550 -19.335 1.00 27.57 N +ATOM 291 CZ ARG X 70 3.589 28.627 -18.505 1.00 28.14 C +ATOM 292 NH1 ARG X 70 4.549 27.794 -18.915 1.00 26.44 N +ATOM 293 NH2 ARG X 70 3.092 28.564 -17.266 1.00 27.81 N +ATOM 294 N GLU X 71 1.821 26.828 -23.909 1.00 23.45 N +ATOM 295 CA GLU X 71 2.649 27.016 -25.084 1.00 24.57 C +ATOM 296 C GLU X 71 2.174 26.203 -26.267 1.00 24.90 C +ATOM 297 O GLU X 71 2.503 26.516 -27.408 1.00 24.84 O +ATOM 298 CB GLU X 71 4.128 26.723 -24.757 1.00 24.71 C +ATOM 299 CG GLU X 71 4.751 27.670 -23.708 1.00 26.68 C +ATOM 300 CD GLU X 71 5.141 29.068 -24.253 1.00 30.70 C +ATOM 301 OE1 GLU X 71 4.402 30.071 -24.040 1.00 31.05 O +ATOM 302 OE2 GLU X 71 6.212 29.171 -24.892 1.00 33.27 O +ATOM 303 N ASP X 72 1.402 25.157 -25.994 1.00 25.57 N +ATOM 304 CA ASP X 72 0.874 24.309 -27.056 1.00 25.89 C +ATOM 305 C ASP X 72 -0.490 23.735 -26.691 1.00 25.86 C +ATOM 306 O ASP X 72 -0.618 22.536 -26.455 1.00 25.70 O +ATOM 307 CB ASP X 72 1.855 23.195 -27.369 1.00 25.81 C +ATOM 308 CG ASP X 72 1.541 22.507 -28.673 1.00 27.25 C +ATOM 309 OD1 ASP X 72 2.075 21.391 -28.901 1.00 29.28 O +ATOM 310 OD2 ASP X 72 0.772 23.086 -29.475 1.00 26.79 O +ATOM 311 N PRO X 73 -1.522 24.592 -26.670 1.00 26.06 N +ATOM 312 CA PRO X 73 -2.805 24.212 -26.061 1.00 26.22 C +ATOM 313 C PRO X 73 -3.596 23.194 -26.878 1.00 26.59 C +ATOM 314 O PRO X 73 -4.303 22.359 -26.312 1.00 26.63 O +ATOM 315 CB PRO X 73 -3.564 25.541 -25.957 1.00 25.93 C +ATOM 316 CG PRO X 73 -2.957 26.425 -26.989 1.00 26.37 C +ATOM 317 CD PRO X 73 -1.542 25.951 -27.243 1.00 25.98 C +ATOM 318 N ASP X 74 -3.467 23.257 -28.199 1.00 27.41 N +ATOM 319 CA ASP X 74 -4.179 22.346 -29.095 1.00 27.97 C +ATOM 320 C ASP X 74 -3.760 20.883 -28.912 1.00 27.63 C +ATOM 321 O ASP X 74 -4.527 19.973 -29.234 1.00 27.92 O +ATOM 322 CB ASP X 74 -3.959 22.731 -30.557 1.00 28.68 C +ATOM 323 CG ASP X 74 -3.877 24.235 -30.779 1.00 31.08 C +ATOM 324 OD1 ASP X 74 -3.286 24.962 -29.932 1.00 33.78 O +ATOM 325 OD2 ASP X 74 -4.370 24.679 -31.841 1.00 32.09 O +ATOM 326 N SER X 75 -2.549 20.653 -28.408 1.00 26.78 N +ATOM 327 CA SER X 75 -2.052 19.286 -28.241 1.00 26.22 C +ATOM 328 C SER X 75 -2.565 18.617 -26.976 1.00 25.50 C +ATOM 329 O SER X 75 -2.159 17.507 -26.662 1.00 25.13 O +ATOM 330 CB SER X 75 -0.529 19.277 -28.219 1.00 26.62 C +ATOM 331 OG SER X 75 -0.031 20.066 -27.143 1.00 27.20 O +ATOM 332 N VAL X 76 -3.422 19.318 -26.237 1.00 24.69 N +ATOM 333 CA VAL X 76 -4.010 18.790 -25.017 1.00 23.88 C +ATOM 334 C VAL X 76 -5.463 18.474 -25.280 1.00 23.32 C +ATOM 335 O VAL X 76 -6.269 19.380 -25.479 1.00 24.09 O +ATOM 336 CB VAL X 76 -3.906 19.788 -23.870 1.00 23.70 C +ATOM 337 CG1 VAL X 76 -5.008 19.567 -22.864 1.00 23.18 C +ATOM 338 CG2 VAL X 76 -2.566 19.655 -23.200 1.00 24.31 C +ATOM 339 N PRO X 77 -5.812 17.187 -25.277 1.00 22.64 N +ATOM 340 CA PRO X 77 -7.163 16.797 -25.649 1.00 22.06 C +ATOM 341 C PRO X 77 -8.149 17.254 -24.584 1.00 21.88 C +ATOM 342 O PRO X 77 -7.852 17.154 -23.398 1.00 21.90 O +ATOM 343 CB PRO X 77 -7.081 15.271 -25.682 1.00 21.80 C +ATOM 344 CG PRO X 77 -6.012 14.924 -24.714 1.00 21.74 C +ATOM 345 CD PRO X 77 -4.988 16.023 -24.896 1.00 23.01 C +ATOM 346 N PRO X 78 -9.325 17.748 -24.998 1.00 21.61 N +ATOM 347 CA PRO X 78 -10.419 18.179 -24.102 1.00 21.32 C +ATOM 348 C PRO X 78 -10.899 17.107 -23.081 1.00 21.17 C +ATOM 349 O PRO X 78 -10.801 15.910 -23.338 1.00 21.55 O +ATOM 350 CB PRO X 78 -11.545 18.484 -25.073 1.00 21.09 C +ATOM 351 CG PRO X 78 -11.140 17.804 -26.359 1.00 21.33 C +ATOM 352 CD PRO X 78 -9.686 17.894 -26.413 1.00 21.39 C +ATOM 353 N ILE X 79 -11.401 17.539 -21.933 1.00 20.50 N +ATOM 354 CA ILE X 79 -11.890 16.619 -20.927 1.00 19.99 C +ATOM 355 C ILE X 79 -13.344 16.228 -21.203 1.00 20.64 C +ATOM 356 O ILE X 79 -14.018 16.835 -22.064 1.00 20.88 O +ATOM 357 CB ILE X 79 -11.806 17.216 -19.518 1.00 19.90 C +ATOM 358 CG1 ILE X 79 -12.643 18.507 -19.449 1.00 19.32 C +ATOM 359 CG2 ILE X 79 -10.334 17.333 -19.086 1.00 18.84 C +ATOM 360 CD1 ILE X 79 -13.043 19.000 -18.059 1.00 19.37 C +ATOM 361 N ASP X 80 -13.815 15.217 -20.471 1.00 20.55 N +ATOM 362 CA ASP X 80 -15.183 14.716 -20.616 1.00 20.88 C +ATOM 363 C ASP X 80 -15.985 15.251 -19.482 1.00 20.56 C +ATOM 364 O ASP X 80 -15.605 15.060 -18.333 1.00 21.07 O +ATOM 365 CB ASP X 80 -15.230 13.179 -20.577 1.00 20.94 C +ATOM 366 CG ASP X 80 -14.769 12.537 -21.888 1.00 21.60 C +ATOM 367 OD1 ASP X 80 -15.011 13.113 -22.976 1.00 22.62 O +ATOM 368 OD2 ASP X 80 -14.159 11.455 -21.831 1.00 23.43 O +ATOM 369 N VAL X 81 -17.086 15.925 -19.803 1.00 20.20 N +ATOM 370 CA VAL X 81 -17.958 16.497 -18.785 1.00 19.85 C +ATOM 371 C VAL X 81 -19.376 15.922 -18.864 1.00 19.95 C +ATOM 372 O VAL X 81 -20.005 15.983 -19.919 1.00 20.83 O +ATOM 373 CB VAL X 81 -17.999 18.022 -18.897 1.00 19.66 C +ATOM 374 CG1 VAL X 81 -18.943 18.611 -17.868 1.00 19.48 C +ATOM 375 CG2 VAL X 81 -16.628 18.574 -18.692 1.00 18.53 C +ATOM 376 N LEU X 82 -19.860 15.363 -17.752 1.00 19.47 N +ATOM 377 CA LEU X 82 -21.210 14.811 -17.673 1.00 18.97 C +ATOM 378 C LEU X 82 -22.192 15.914 -17.442 1.00 19.26 C +ATOM 379 O LEU X 82 -22.020 16.712 -16.538 1.00 20.06 O +ATOM 380 CB LEU X 82 -21.339 13.789 -16.551 1.00 18.44 C +ATOM 381 CG LEU X 82 -20.920 12.352 -16.859 1.00 17.79 C +ATOM 382 CD1 LEU X 82 -19.645 12.309 -17.604 1.00 19.56 C +ATOM 383 CD2 LEU X 82 -20.725 11.571 -15.592 1.00 19.95 C +ATOM 384 N TRP X 83 -23.214 15.965 -18.284 1.00 19.59 N +ATOM 385 CA TRP X 83 -24.276 16.971 -18.197 1.00 19.58 C +ATOM 386 C TRP X 83 -25.551 16.255 -17.752 1.00 20.06 C +ATOM 387 O TRP X 83 -25.990 15.292 -18.392 1.00 19.98 O +ATOM 388 CB TRP X 83 -24.452 17.644 -19.564 1.00 18.79 C +ATOM 389 CG TRP X 83 -25.546 18.661 -19.673 1.00 17.57 C +ATOM 390 CD1 TRP X 83 -26.254 19.208 -18.664 1.00 15.96 C +ATOM 391 CD2 TRP X 83 -26.020 19.286 -20.885 1.00 16.86 C +ATOM 392 NE1 TRP X 83 -27.152 20.119 -19.155 1.00 16.66 N +ATOM 393 CE2 TRP X 83 -27.037 20.185 -20.515 1.00 14.90 C +ATOM 394 CE3 TRP X 83 -25.695 19.149 -22.248 1.00 16.31 C +ATOM 395 CZ2 TRP X 83 -27.738 20.964 -21.446 1.00 16.88 C +ATOM 396 CZ3 TRP X 83 -26.392 19.932 -23.189 1.00 17.28 C +ATOM 397 CH2 TRP X 83 -27.409 20.828 -22.776 1.00 17.48 C +ATOM 398 N ILE X 84 -26.118 16.715 -16.640 1.00 20.52 N +ATOM 399 CA ILE X 84 -27.243 16.050 -16.017 1.00 21.03 C +ATOM 400 C ILE X 84 -28.355 17.019 -15.714 1.00 21.83 C +ATOM 401 O ILE X 84 -28.118 18.165 -15.283 1.00 22.88 O +ATOM 402 CB ILE X 84 -26.818 15.353 -14.749 1.00 20.89 C +ATOM 403 CG1 ILE X 84 -25.698 14.371 -15.060 1.00 21.55 C +ATOM 404 CG2 ILE X 84 -27.964 14.602 -14.154 1.00 21.87 C +ATOM 405 CD1 ILE X 84 -24.876 14.055 -13.866 1.00 22.23 C +ATOM 406 N LYS X 85 -29.580 16.567 -15.963 1.00 22.32 N +ATOM 407 CA LYS X 85 -30.753 17.392 -15.751 1.00 22.41 C +ATOM 408 C LYS X 85 -31.278 17.126 -14.348 1.00 23.03 C +ATOM 409 O LYS X 85 -31.433 15.966 -13.947 1.00 22.68 O +ATOM 410 CB LYS X 85 -31.814 17.089 -16.814 1.00 22.35 C +ATOM 411 CG LYS X 85 -31.496 17.640 -18.210 1.00 21.90 C +ATOM 412 CD LYS X 85 -31.195 19.127 -18.141 1.00 25.45 C +ATOM 413 CE LYS X 85 -31.657 19.905 -19.381 1.00 26.21 C +ATOM 414 NZ LYS X 85 -31.407 21.371 -19.213 1.00 25.19 N +ATOM 415 N GLY X 86 -31.513 18.198 -13.588 1.00 23.60 N +ATOM 416 CA GLY X 86 -32.100 18.070 -12.249 1.00 24.15 C +ATOM 417 C GLY X 86 -33.604 17.818 -12.314 1.00 24.77 C +ATOM 418 O GLY X 86 -34.257 18.132 -13.330 1.00 24.88 O +ATOM 419 N ALA X 87 -34.161 17.259 -11.240 1.00 24.85 N +ATOM 420 CA ALA X 87 -35.605 17.018 -11.156 1.00 24.91 C +ATOM 421 C ALA X 87 -36.414 18.258 -11.566 1.00 24.87 C +ATOM 422 O ALA X 87 -37.383 18.138 -12.284 1.00 24.89 O +ATOM 423 CB ALA X 87 -35.992 16.552 -9.754 1.00 24.56 C +ATOM 424 N GLN X 88 -35.994 19.447 -11.132 1.00 25.22 N +ATOM 425 CA GLN X 88 -36.695 20.703 -11.471 1.00 25.31 C +ATOM 426 C GLN X 88 -36.062 21.396 -12.686 1.00 25.01 C +ATOM 427 O GLN X 88 -36.212 22.613 -12.862 1.00 24.94 O +ATOM 428 CB GLN X 88 -36.766 21.693 -10.275 1.00 25.41 C +ATOM 429 CG GLN X 88 -37.438 21.208 -8.957 1.00 26.86 C +ATOM 430 CD GLN X 88 -38.742 20.410 -9.146 1.00 28.67 C +ATOM 431 OE1 GLN X 88 -39.584 20.740 -9.978 1.00 30.53 O +ATOM 432 NE2 GLN X 88 -38.903 19.360 -8.356 1.00 28.14 N +ATOM 433 N GLY X 89 -35.360 20.617 -13.513 1.00 24.64 N +ATOM 434 CA GLY X 89 -34.766 21.107 -14.768 1.00 24.70 C +ATOM 435 C GLY X 89 -33.427 21.845 -14.670 1.00 24.76 C +ATOM 436 O GLY X 89 -32.972 22.446 -15.641 1.00 24.76 O +ATOM 437 N GLY X 90 -32.789 21.803 -13.504 1.00 24.39 N +ATOM 438 CA GLY X 90 -31.506 22.449 -13.333 1.00 23.80 C +ATOM 439 C GLY X 90 -30.441 21.772 -14.159 1.00 23.24 C +ATOM 440 O GLY X 90 -30.454 20.542 -14.348 1.00 23.71 O +ATOM 441 N ASP X 91 -29.525 22.586 -14.667 1.00 22.76 N +ATOM 442 CA ASP X 91 -28.342 22.080 -15.344 1.00 22.14 C +ATOM 443 C ASP X 91 -27.252 21.810 -14.320 1.00 21.93 C +ATOM 444 O ASP X 91 -26.960 22.664 -13.468 1.00 22.00 O +ATOM 445 CB ASP X 91 -27.843 23.067 -16.377 1.00 21.40 C +ATOM 446 CG ASP X 91 -28.812 23.243 -17.520 1.00 22.30 C +ATOM 447 OD1 ASP X 91 -29.401 24.361 -17.567 1.00 21.33 O +ATOM 448 OD2 ASP X 91 -28.976 22.285 -18.349 1.00 19.29 O +ATOM 449 N TYR X 92 -26.680 20.609 -14.399 1.00 21.20 N +ATOM 450 CA TYR X 92 -25.599 20.212 -13.525 1.00 20.58 C +ATOM 451 C TYR X 92 -24.519 19.545 -14.327 1.00 19.82 C +ATOM 452 O TYR X 92 -24.792 18.699 -15.182 1.00 19.55 O +ATOM 453 CB TYR X 92 -26.116 19.262 -12.470 1.00 20.78 C +ATOM 454 CG TYR X 92 -27.000 19.938 -11.469 1.00 21.02 C +ATOM 455 CD1 TYR X 92 -28.369 19.979 -11.658 1.00 21.52 C +ATOM 456 CD2 TYR X 92 -26.470 20.521 -10.312 1.00 21.16 C +ATOM 457 CE1 TYR X 92 -29.201 20.588 -10.732 1.00 22.29 C +ATOM 458 CE2 TYR X 92 -27.292 21.125 -9.379 1.00 22.18 C +ATOM 459 CZ TYR X 92 -28.662 21.155 -9.604 1.00 21.64 C +ATOM 460 OH TYR X 92 -29.504 21.751 -8.720 1.00 20.92 O +ATOM 461 N PHE X 93 -23.286 19.925 -14.040 1.00 18.90 N +ATOM 462 CA PHE X 93 -22.165 19.487 -14.849 1.00 18.12 C +ATOM 463 C PHE X 93 -21.085 18.888 -13.997 1.00 17.88 C +ATOM 464 O PHE X 93 -20.499 19.574 -13.154 1.00 17.41 O +ATOM 465 CB PHE X 93 -21.590 20.672 -15.595 1.00 18.06 C +ATOM 466 CG PHE X 93 -22.515 21.251 -16.597 1.00 17.46 C +ATOM 467 CD1 PHE X 93 -22.688 20.637 -17.838 1.00 17.24 C +ATOM 468 CD2 PHE X 93 -23.201 22.406 -16.321 1.00 16.57 C +ATOM 469 CE1 PHE X 93 -23.531 21.166 -18.789 1.00 15.91 C +ATOM 470 CE2 PHE X 93 -24.045 22.956 -17.271 1.00 18.44 C +ATOM 471 CZ PHE X 93 -24.224 22.326 -18.507 1.00 17.45 C +ATOM 472 N TYR X 94 -20.824 17.610 -14.229 1.00 17.68 N +ATOM 473 CA TYR X 94 -19.827 16.870 -13.477 1.00 17.93 C +ATOM 474 C TYR X 94 -18.552 16.614 -14.276 1.00 17.62 C +ATOM 475 O TYR X 94 -18.604 16.320 -15.475 1.00 17.27 O +ATOM 476 CB TYR X 94 -20.422 15.551 -12.975 1.00 18.06 C +ATOM 477 CG TYR X 94 -21.295 15.756 -11.766 1.00 19.55 C +ATOM 478 CD1 TYR X 94 -20.782 15.624 -10.479 1.00 21.36 C +ATOM 479 CD2 TYR X 94 -22.632 16.119 -11.897 1.00 19.41 C +ATOM 480 CE1 TYR X 94 -21.595 15.830 -9.349 1.00 20.36 C +ATOM 481 CE2 TYR X 94 -23.433 16.321 -10.782 1.00 19.16 C +ATOM 482 CZ TYR X 94 -22.911 16.176 -9.517 1.00 19.22 C +ATOM 483 OH TYR X 94 -23.708 16.392 -8.410 1.00 20.60 O +ATOM 484 N SER X 95 -17.413 16.726 -13.598 1.00 17.05 N +ATOM 485 CA SER X 95 -16.149 16.379 -14.200 1.00 16.82 C +ATOM 486 C SER X 95 -15.438 15.315 -13.390 1.00 16.66 C +ATOM 487 O SER X 95 -15.072 15.550 -12.244 1.00 16.29 O +ATOM 488 CB SER X 95 -15.250 17.600 -14.343 1.00 16.67 C +ATOM 489 OG SER X 95 -13.911 17.184 -14.584 1.00 17.23 O +ATOM 490 N PHE X 96 -15.194 14.161 -14.008 1.00 16.68 N +ATOM 491 CA PHE X 96 -14.575 13.059 -13.279 1.00 17.26 C +ATOM 492 C PHE X 96 -13.164 12.694 -13.715 1.00 17.96 C +ATOM 493 O PHE X 96 -12.459 12.002 -12.967 1.00 18.40 O +ATOM 494 CB PHE X 96 -15.485 11.807 -13.252 1.00 16.60 C +ATOM 495 CG PHE X 96 -16.699 11.962 -12.367 1.00 15.47 C +ATOM 496 CD1 PHE X 96 -16.560 12.137 -11.011 1.00 14.84 C +ATOM 497 CD2 PHE X 96 -17.976 11.961 -12.904 1.00 15.13 C +ATOM 498 CE1 PHE X 96 -17.665 12.304 -10.212 1.00 15.25 C +ATOM 499 CE2 PHE X 96 -19.081 12.139 -12.109 1.00 14.50 C +ATOM 500 CZ PHE X 96 -18.925 12.316 -10.764 1.00 15.78 C +ATOM 501 N GLY X 97 -12.759 13.148 -14.899 1.00 18.40 N +ATOM 502 CA GLY X 97 -11.514 12.696 -15.522 1.00 20.05 C +ATOM 503 C GLY X 97 -10.592 13.848 -15.881 1.00 21.54 C +ATOM 504 O GLY X 97 -10.915 15.001 -15.595 1.00 21.78 O +ATOM 505 N GLY X 98 -9.439 13.553 -16.499 1.00 22.19 N +ATOM 506 CA GLY X 98 -8.462 14.597 -16.837 1.00 22.86 C +ATOM 507 C GLY X 98 -7.938 15.326 -15.606 1.00 23.65 C +ATOM 508 O GLY X 98 -7.573 16.488 -15.665 1.00 23.35 O +ATOM 509 N CYS X 99 -7.908 14.612 -14.490 1.00 24.70 N +ATOM 510 CA CYS X 99 -7.483 15.121 -13.193 1.00 26.03 C +ATOM 511 C CYS X 99 -6.328 16.118 -13.236 1.00 25.55 C +ATOM 512 O CYS X 99 -6.367 17.146 -12.556 1.00 25.07 O +ATOM 513 CB CYS X 99 -7.141 13.936 -12.279 1.00 26.46 C +ATOM 514 SG CYS X 99 -8.596 12.933 -11.973 1.00 31.46 S +ATOM 515 N HIS X 100 -5.320 15.807 -14.046 1.00 25.89 N +ATOM 516 CA HIS X 100 -4.114 16.608 -14.130 1.00 26.21 C +ATOM 517 C HIS X 100 -4.307 17.800 -15.078 1.00 25.66 C +ATOM 518 O HIS X 100 -3.891 18.917 -14.761 1.00 26.39 O +ATOM 519 CB HIS X 100 -2.920 15.747 -14.520 1.00 26.55 C +ATOM 520 CG HIS X 100 -2.477 14.798 -13.444 1.00 29.63 C +ATOM 521 ND1 HIS X 100 -3.019 13.538 -13.290 1.00 31.89 N +ATOM 522 CD2 HIS X 100 -1.522 14.913 -12.486 1.00 32.00 C +ATOM 523 CE1 HIS X 100 -2.426 12.924 -12.277 1.00 32.23 C +ATOM 524 NE2 HIS X 100 -1.513 13.735 -11.773 1.00 32.20 N +ATOM 525 N ARG X 101 -4.961 17.582 -16.212 1.00 24.54 N +ATOM 526 CA ARG X 101 -5.405 18.690 -17.048 1.00 23.89 C +ATOM 527 C ARG X 101 -6.175 19.722 -16.227 1.00 23.40 C +ATOM 528 O ARG X 101 -5.810 20.904 -16.213 1.00 23.57 O +ATOM 529 CB ARG X 101 -6.280 18.191 -18.192 1.00 24.13 C +ATOM 530 CG ARG X 101 -5.506 17.770 -19.416 1.00 24.33 C +ATOM 531 CD ARG X 101 -6.373 17.000 -20.382 1.00 24.07 C +ATOM 532 NE ARG X 101 -6.486 15.613 -19.948 1.00 24.98 N +ATOM 533 CZ ARG X 101 -7.279 14.696 -20.499 1.00 23.62 C +ATOM 534 NH1 ARG X 101 -8.064 14.990 -21.538 1.00 22.56 N +ATOM 535 NH2 ARG X 101 -7.285 13.474 -19.986 1.00 22.44 N +ATOM 536 N TYR X 102 -7.228 19.270 -15.542 1.00 22.31 N +ATOM 537 CA TYR X 102 -8.038 20.158 -14.731 1.00 21.63 C +ATOM 538 C TYR X 102 -7.167 20.980 -13.799 1.00 21.25 C +ATOM 539 O TYR X 102 -7.359 22.185 -13.669 1.00 21.08 O +ATOM 540 CB TYR X 102 -9.130 19.414 -13.935 1.00 21.89 C +ATOM 541 CG TYR X 102 -10.099 20.373 -13.251 1.00 21.52 C +ATOM 542 CD1 TYR X 102 -11.075 21.038 -13.985 1.00 21.54 C +ATOM 543 CD2 TYR X 102 -10.013 20.647 -11.894 1.00 21.31 C +ATOM 544 CE1 TYR X 102 -11.956 21.943 -13.397 1.00 20.90 C +ATOM 545 CE2 TYR X 102 -10.900 21.547 -11.278 1.00 22.46 C +ATOM 546 CZ TYR X 102 -11.871 22.196 -12.046 1.00 22.89 C +ATOM 547 OH TYR X 102 -12.781 23.091 -11.471 1.00 23.95 O +ATOM 548 N ALA X 103 -6.197 20.336 -13.160 1.00 21.14 N +ATOM 549 CA ALA X 103 -5.396 21.021 -12.139 1.00 20.98 C +ATOM 550 C ALA X 103 -4.484 22.047 -12.791 1.00 20.79 C +ATOM 551 O ALA X 103 -4.322 23.160 -12.277 1.00 21.03 O +ATOM 552 CB ALA X 103 -4.606 20.036 -11.327 1.00 20.47 C +ATOM 553 N ALA X 104 -3.924 21.670 -13.932 1.00 19.93 N +ATOM 554 CA ALA X 104 -3.085 22.555 -14.693 1.00 20.54 C +ATOM 555 C ALA X 104 -3.868 23.825 -14.965 1.00 21.32 C +ATOM 556 O ALA X 104 -3.403 24.944 -14.667 1.00 21.18 O +ATOM 557 CB ALA X 104 -2.662 21.889 -15.992 1.00 20.23 C +ATOM 558 N TYR X 105 -5.076 23.641 -15.499 1.00 21.77 N +ATOM 559 CA TYR X 105 -5.965 24.751 -15.802 1.00 22.50 C +ATOM 560 C TYR X 105 -6.260 25.559 -14.544 1.00 22.88 C +ATOM 561 O TYR X 105 -6.464 26.766 -14.610 1.00 23.27 O +ATOM 562 CB TYR X 105 -7.265 24.246 -16.457 1.00 23.22 C +ATOM 563 CG TYR X 105 -7.199 24.245 -17.954 1.00 22.99 C +ATOM 564 CD1 TYR X 105 -6.716 23.150 -18.657 1.00 23.78 C +ATOM 565 CD2 TYR X 105 -7.573 25.360 -18.661 1.00 23.21 C +ATOM 566 CE1 TYR X 105 -6.614 23.173 -20.039 1.00 23.66 C +ATOM 567 CE2 TYR X 105 -7.485 25.395 -20.034 1.00 25.05 C +ATOM 568 CZ TYR X 105 -7.003 24.305 -20.716 1.00 24.56 C +ATOM 569 OH TYR X 105 -6.935 24.386 -22.092 1.00 26.06 O +ATOM 570 N GLN X 106 -6.265 24.905 -13.389 1.00 22.92 N +ATOM 571 CA GLN X 106 -6.543 25.642 -12.171 1.00 23.26 C +ATOM 572 C GLN X 106 -5.315 26.438 -11.777 1.00 22.62 C +ATOM 573 O GLN X 106 -5.428 27.513 -11.200 1.00 22.09 O +ATOM 574 CB GLN X 106 -6.939 24.716 -11.026 1.00 23.67 C +ATOM 575 CG GLN X 106 -8.386 24.332 -10.985 1.00 24.88 C +ATOM 576 CD GLN X 106 -8.834 23.957 -9.576 1.00 28.10 C +ATOM 577 OE1 GLN X 106 -9.902 24.378 -9.134 1.00 30.05 O +ATOM 578 NE2 GLN X 106 -8.013 23.184 -8.856 1.00 28.36 N +ATOM 579 N GLN X 107 -4.144 25.884 -12.079 1.00 22.38 N +ATOM 580 CA GLN X 107 -2.872 26.568 -11.823 1.00 21.99 C +ATOM 581 C GLN X 107 -2.715 27.777 -12.702 1.00 20.80 C +ATOM 582 O GLN X 107 -2.240 28.787 -12.231 1.00 21.00 O +ATOM 583 CB GLN X 107 -1.707 25.645 -12.108 1.00 22.60 C +ATOM 584 CG GLN X 107 -1.681 24.453 -11.246 1.00 24.96 C +ATOM 585 CD GLN X 107 -0.854 24.676 -10.037 1.00 28.54 C +ATOM 586 OE1 GLN X 107 0.314 24.267 -10.013 1.00 31.20 O +ATOM 587 NE2 GLN X 107 -1.429 25.346 -9.012 1.00 27.74 N +ATOM 588 N LEU X 108 -3.115 27.648 -13.972 1.00 19.77 N +ATOM 589 CA LEU X 108 -3.120 28.737 -14.947 1.00 18.98 C +ATOM 590 C LEU X 108 -4.247 29.731 -14.740 1.00 19.32 C +ATOM 591 O LEU X 108 -4.303 30.775 -15.425 1.00 19.71 O +ATOM 592 CB LEU X 108 -3.217 28.179 -16.357 1.00 18.36 C +ATOM 593 CG LEU X 108 -1.902 27.557 -16.831 1.00 18.87 C +ATOM 594 CD1 LEU X 108 -2.165 26.418 -17.788 1.00 17.73 C +ATOM 595 CD2 LEU X 108 -0.956 28.591 -17.449 1.00 16.35 C +ATOM 596 N GLN X 109 -5.159 29.394 -13.825 1.00 18.59 N +ATOM 597 CA GLN X 109 -6.244 30.275 -13.432 1.00 18.62 C +ATOM 598 C GLN X 109 -7.135 30.729 -14.600 1.00 18.19 C +ATOM 599 O GLN X 109 -7.750 31.801 -14.546 1.00 17.35 O +ATOM 600 CB GLN X 109 -5.715 31.444 -12.593 1.00 17.93 C +ATOM 601 CG GLN X 109 -5.032 30.996 -11.274 1.00 20.07 C +ATOM 602 CD GLN X 109 -4.483 32.162 -10.427 1.00 20.66 C +ATOM 603 OE1 GLN X 109 -4.983 33.286 -10.492 1.00 23.31 O +ATOM 604 NE2 GLN X 109 -3.453 31.887 -9.640 1.00 21.78 N +ATOM 605 N ARG X 110 -7.213 29.882 -15.634 1.00 18.06 N +ATOM 606 CA ARG X 110 -8.160 30.046 -16.739 1.00 18.33 C +ATOM 607 C ARG X 110 -9.559 30.003 -16.170 1.00 18.21 C +ATOM 608 O ARG X 110 -9.747 29.505 -15.068 1.00 17.77 O +ATOM 609 CB ARG X 110 -8.007 28.918 -17.751 1.00 18.41 C +ATOM 610 CG ARG X 110 -6.614 28.755 -18.337 1.00 19.68 C +ATOM 611 CD ARG X 110 -6.179 30.012 -19.115 1.00 18.41 C +ATOM 612 NE ARG X 110 -4.814 29.928 -19.624 1.00 17.07 N +ATOM 613 CZ ARG X 110 -4.471 29.242 -20.706 1.00 20.50 C +ATOM 614 NH1 ARG X 110 -5.396 28.550 -21.371 1.00 21.58 N +ATOM 615 NH2 ARG X 110 -3.203 29.220 -21.121 1.00 21.02 N +ATOM 616 N GLU X 111 -10.530 30.549 -16.895 1.00 18.31 N +ATOM 617 CA GLU X 111 -11.934 30.514 -16.439 1.00 18.83 C +ATOM 618 C GLU X 111 -12.765 29.555 -17.301 1.00 18.31 C +ATOM 619 O GLU X 111 -13.951 29.320 -17.031 1.00 17.44 O +ATOM 620 CB GLU X 111 -12.557 31.900 -16.482 1.00 19.54 C +ATOM 621 CG GLU X 111 -11.851 32.947 -15.616 1.00 22.78 C +ATOM 622 CD GLU X 111 -11.805 34.296 -16.317 1.00 27.04 C +ATOM 623 OE1 GLU X 111 -12.443 35.249 -15.829 1.00 28.43 O +ATOM 624 OE2 GLU X 111 -11.147 34.391 -17.378 1.00 28.60 O +ATOM 625 N THR X 112 -12.113 29.014 -18.342 1.00 17.49 N +ATOM 626 CA THR X 112 -12.716 28.053 -19.229 1.00 16.28 C +ATOM 627 C THR X 112 -11.705 26.970 -19.562 1.00 16.23 C +ATOM 628 O THR X 112 -10.502 27.222 -19.658 1.00 16.10 O +ATOM 629 CB THR X 112 -13.247 28.670 -20.561 1.00 16.15 C +ATOM 630 OG1 THR X 112 -12.165 28.970 -21.451 1.00 15.85 O +ATOM 631 CG2 THR X 112 -14.100 29.887 -20.328 1.00 15.90 C +ATOM 632 N ILE X 113 -12.234 25.772 -19.748 1.00 15.55 N +ATOM 633 CA ILE X 113 -11.485 24.624 -20.126 1.00 15.28 C +ATOM 634 C ILE X 113 -12.241 23.996 -21.319 1.00 16.23 C +ATOM 635 O ILE X 113 -13.475 23.975 -21.341 1.00 15.88 O +ATOM 636 CB ILE X 113 -11.370 23.666 -18.911 1.00 14.74 C +ATOM 637 CG1 ILE X 113 -10.262 22.629 -19.126 1.00 14.26 C +ATOM 638 CG2 ILE X 113 -12.695 23.046 -18.590 1.00 13.74 C +ATOM 639 CD1 ILE X 113 -10.030 21.746 -17.935 1.00 11.29 C +ATOM 640 N PRO X 114 -11.508 23.556 -22.347 1.00 16.83 N +ATOM 641 CA PRO X 114 -12.116 22.814 -23.443 1.00 17.59 C +ATOM 642 C PRO X 114 -12.762 21.534 -22.949 1.00 18.44 C +ATOM 643 O PRO X 114 -12.084 20.699 -22.320 1.00 18.34 O +ATOM 644 CB PRO X 114 -10.912 22.468 -24.334 1.00 17.60 C +ATOM 645 CG PRO X 114 -9.925 23.578 -24.054 1.00 17.52 C +ATOM 646 CD PRO X 114 -10.075 23.796 -22.580 1.00 17.22 C +ATOM 647 N ALA X 115 -14.054 21.353 -23.219 1.00 18.76 N +ATOM 648 CA ALA X 115 -14.661 20.076 -22.844 1.00 19.45 C +ATOM 649 C ALA X 115 -15.610 19.485 -23.867 1.00 19.99 C +ATOM 650 O ALA X 115 -16.182 20.206 -24.687 1.00 20.11 O +ATOM 651 CB ALA X 115 -15.327 20.186 -21.493 1.00 19.22 C +ATOM 652 N LYS X 116 -15.749 18.160 -23.833 1.00 20.69 N +ATOM 653 CA LYS X 116 -16.825 17.495 -24.563 1.00 22.03 C +ATOM 654 C LYS X 116 -17.940 17.299 -23.565 1.00 21.87 C +ATOM 655 O LYS X 116 -17.688 16.896 -22.411 1.00 21.53 O +ATOM 656 CB LYS X 116 -16.374 16.155 -25.139 1.00 21.70 C +ATOM 657 CG LYS X 116 -15.187 16.282 -26.128 1.00 24.55 C +ATOM 658 CD LYS X 116 -15.063 15.081 -27.101 1.00 24.57 C +ATOM 659 CE LYS X 116 -14.476 15.524 -28.454 1.00 27.64 C +ATOM 660 NZ LYS X 116 -13.372 14.603 -28.938 1.00 29.71 N +ATOM 661 N LEU X 117 -19.164 17.625 -23.972 1.00 22.06 N +ATOM 662 CA LEU X 117 -20.289 17.425 -23.058 1.00 22.69 C +ATOM 663 C LEU X 117 -20.998 16.117 -23.352 1.00 23.32 C +ATOM 664 O LEU X 117 -21.425 15.879 -24.493 1.00 23.54 O +ATOM 665 CB LEU X 117 -21.243 18.619 -23.045 1.00 22.28 C +ATOM 666 CG LEU X 117 -20.588 19.785 -22.288 1.00 22.22 C +ATOM 667 CD1 LEU X 117 -20.861 21.095 -22.960 1.00 22.02 C +ATOM 668 CD2 LEU X 117 -20.971 19.848 -20.821 1.00 21.06 C +ATOM 669 N VAL X 118 -21.076 15.258 -22.329 1.00 23.23 N +ATOM 670 CA VAL X 118 -21.705 13.938 -22.458 1.00 23.42 C +ATOM 671 C VAL X 118 -22.984 13.850 -21.624 1.00 23.70 C +ATOM 672 O VAL X 118 -22.932 13.728 -20.389 1.00 23.92 O +ATOM 673 CB VAL X 118 -20.732 12.800 -22.066 1.00 23.27 C +ATOM 674 CG1 VAL X 118 -21.404 11.449 -22.216 1.00 22.02 C +ATOM 675 CG2 VAL X 118 -19.480 12.865 -22.920 1.00 22.73 C +ATOM 676 N GLN X 119 -24.134 13.920 -22.289 1.00 23.67 N +ATOM 677 CA GLN X 119 -25.409 13.990 -21.561 1.00 24.19 C +ATOM 678 C GLN X 119 -25.575 12.698 -20.782 1.00 24.51 C +ATOM 679 O GLN X 119 -25.102 11.657 -21.213 1.00 24.62 O +ATOM 680 CB GLN X 119 -26.573 14.237 -22.513 1.00 24.08 C +ATOM 681 CG GLN X 119 -26.129 14.971 -23.775 1.00 24.76 C +ATOM 682 CD GLN X 119 -27.262 15.611 -24.531 1.00 25.67 C +ATOM 683 OE1 GLN X 119 -28.395 15.678 -24.056 1.00 26.22 O +ATOM 684 NE2 GLN X 119 -26.957 16.098 -25.725 1.00 27.45 N +ATOM 685 N SER X 120 -26.193 12.762 -19.614 1.00 24.83 N +ATOM 686 CA SER X 120 -26.174 11.602 -18.733 1.00 25.30 C +ATOM 687 C SER X 120 -27.330 11.625 -17.751 1.00 25.51 C +ATOM 688 O SER X 120 -28.089 12.594 -17.708 1.00 25.35 O +ATOM 689 CB SER X 120 -24.832 11.508 -17.999 1.00 25.17 C +ATOM 690 OG SER X 120 -24.749 10.303 -17.272 1.00 25.58 O +ATOM 691 N THR X 121 -27.461 10.551 -16.973 1.00 25.87 N +ATOM 692 CA THR X 121 -28.604 10.392 -16.080 1.00 26.33 C +ATOM 693 C THR X 121 -28.150 10.589 -14.637 1.00 26.65 C +ATOM 694 O THR X 121 -26.965 10.765 -14.384 1.00 26.43 O +ATOM 695 CB THR X 121 -29.229 8.985 -16.220 1.00 26.32 C +ATOM 696 OG1 THR X 121 -28.640 8.104 -15.257 1.00 26.18 O +ATOM 697 CG2 THR X 121 -29.028 8.403 -17.626 1.00 26.69 C +ATOM 698 N LEU X 122 -29.080 10.529 -13.684 1.00 27.32 N +ATOM 699 CA LEU X 122 -28.681 10.421 -12.278 1.00 27.81 C +ATOM 700 C LEU X 122 -27.959 9.089 -11.987 1.00 28.11 C +ATOM 701 O LEU X 122 -26.824 9.100 -11.501 1.00 28.33 O +ATOM 702 CB LEU X 122 -29.873 10.622 -11.330 1.00 28.04 C +ATOM 703 CG LEU X 122 -29.641 11.303 -9.963 1.00 27.99 C +ATOM 704 CD1 LEU X 122 -29.125 12.719 -10.104 1.00 26.90 C +ATOM 705 CD2 LEU X 122 -30.912 11.296 -9.086 1.00 28.15 C +ATOM 706 N SER X 123 -28.587 7.961 -12.326 1.00 27.94 N +ATOM 707 CA SER X 123 -28.063 6.624 -11.972 1.00 28.12 C +ATOM 708 C SER X 123 -26.626 6.380 -12.437 1.00 27.95 C +ATOM 709 O SER X 123 -25.917 5.558 -11.868 1.00 28.05 O +ATOM 710 CB SER X 123 -28.970 5.519 -12.528 1.00 28.39 C +ATOM 711 OG SER X 123 -30.275 6.006 -12.782 1.00 28.47 O +ATOM 712 N ASP X 124 -26.211 7.092 -13.480 1.00 27.97 N +ATOM 713 CA ASP X 124 -24.807 7.119 -13.898 1.00 28.11 C +ATOM 714 C ASP X 124 -23.891 7.762 -12.858 1.00 27.48 C +ATOM 715 O ASP X 124 -22.725 7.385 -12.753 1.00 28.02 O +ATOM 716 CB ASP X 124 -24.639 7.825 -15.247 1.00 28.42 C +ATOM 717 CG ASP X 124 -24.902 6.895 -16.447 1.00 30.94 C +ATOM 718 OD1 ASP X 124 -24.110 5.936 -16.665 1.00 31.67 O +ATOM 719 OD2 ASP X 124 -25.901 7.131 -17.177 1.00 33.77 O +ATOM 720 N LEU X 125 -24.404 8.718 -12.094 1.00 26.25 N +ATOM 721 CA LEU X 125 -23.627 9.307 -11.022 1.00 25.81 C +ATOM 722 C LEU X 125 -23.338 8.339 -9.893 1.00 25.70 C +ATOM 723 O LEU X 125 -22.577 8.493 -9.033 1.00 57.10 O +ATOM 724 CB LEU X 125 -24.366 10.485 -10.422 1.00 25.93 C +ATOM 725 CG LEU X 125 -24.176 11.856 -11.032 1.00 25.15 C +ATOM 726 CD1 LEU X 125 -24.864 12.828 -10.097 1.00 25.42 C +ATOM 727 CD2 LEU X 125 -22.699 12.198 -11.183 1.00 24.37 C +ATOM 728 N ARG X 126 -24.376 7.622 -9.470 1.00 25.21 N +ATOM 729 CA ARG X 126 -24.253 6.795 -8.291 1.00 24.91 C +ATOM 730 C ARG X 126 -23.137 5.803 -8.491 1.00 24.04 C +ATOM 731 O ARG X 126 -22.562 5.320 -7.536 1.00 24.00 O +ATOM 732 CB ARG X 126 -25.574 6.119 -7.925 1.00 25.34 C +ATOM 733 CG ARG X 126 -25.706 5.727 -6.424 1.00 27.80 C +ATOM 734 CD ARG X 126 -27.155 5.867 -5.868 1.00 31.99 C +ATOM 735 NE ARG X 126 -28.166 5.359 -6.810 1.00 35.42 N +ATOM 736 CZ ARG X 126 -29.044 6.112 -7.478 1.00 36.34 C +ATOM 737 NH1 ARG X 126 -29.077 7.435 -7.301 1.00 35.91 N +ATOM 738 NH2 ARG X 126 -29.901 5.535 -8.321 1.00 36.32 N +ATOM 739 N VAL X 127 -22.796 5.536 -9.739 1.00 23.44 N +ATOM 740 CA VAL X 127 -21.675 4.665 -10.023 1.00 22.90 C +ATOM 741 C VAL X 127 -20.360 5.300 -9.551 1.00 23.30 C +ATOM 742 O VAL X 127 -19.492 4.613 -9.016 1.00 23.95 O +ATOM 743 CB VAL X 127 -21.617 4.259 -11.488 1.00 22.59 C +ATOM 744 CG1 VAL X 127 -20.507 3.284 -11.689 1.00 22.31 C +ATOM 745 CG2 VAL X 127 -22.970 3.622 -11.952 1.00 23.28 C +ATOM 746 N TYR X 128 -20.215 6.612 -9.711 1.00 22.97 N +ATOM 747 CA TYR X 128 -19.029 7.265 -9.209 1.00 21.87 C +ATOM 748 C TYR X 128 -19.223 7.750 -7.803 1.00 21.27 C +ATOM 749 O TYR X 128 -18.237 7.928 -7.105 1.00 21.73 O +ATOM 750 CB TYR X 128 -18.604 8.411 -10.110 1.00 22.39 C +ATOM 751 CG TYR X 128 -18.562 7.971 -11.520 1.00 24.38 C +ATOM 752 CD1 TYR X 128 -19.519 8.403 -12.441 1.00 25.85 C +ATOM 753 CD2 TYR X 128 -17.609 7.053 -11.941 1.00 26.54 C +ATOM 754 CE1 TYR X 128 -19.496 7.953 -13.769 1.00 25.50 C +ATOM 755 CE2 TYR X 128 -17.584 6.601 -13.248 1.00 27.58 C +ATOM 756 CZ TYR X 128 -18.525 7.053 -14.151 1.00 25.24 C +ATOM 757 OH TYR X 128 -18.466 6.586 -15.431 1.00 25.98 O +ATOM 758 N LEU X 129 -20.471 7.954 -7.369 1.00 20.58 N +ATOM 759 CA LEU X 129 -20.710 8.640 -6.075 1.00 19.30 C +ATOM 760 C LEU X 129 -21.212 7.798 -4.910 1.00 19.29 C +ATOM 761 O LEU X 129 -21.115 8.218 -3.750 1.00 19.07 O +ATOM 762 CB LEU X 129 -21.622 9.858 -6.251 1.00 18.44 C +ATOM 763 CG LEU X 129 -21.104 10.935 -7.188 1.00 16.85 C +ATOM 764 CD1 LEU X 129 -22.048 12.094 -7.259 1.00 12.66 C +ATOM 765 CD2 LEU X 129 -19.752 11.382 -6.756 1.00 16.08 C +ATOM 766 N GLY X 130 -21.752 6.619 -5.214 1.00 19.04 N +ATOM 767 CA GLY X 130 -22.306 5.745 -4.195 1.00 19.31 C +ATOM 768 C GLY X 130 -23.267 6.492 -3.295 1.00 19.72 C +ATOM 769 O GLY X 130 -24.039 7.341 -3.759 1.00 19.84 O +ATOM 770 N ALA X 131 -23.205 6.205 -2.003 1.00 19.69 N +ATOM 771 CA ALA X 131 -24.117 6.826 -1.045 1.00 20.16 C +ATOM 772 C ALA X 131 -23.930 8.340 -0.902 1.00 20.54 C +ATOM 773 O ALA X 131 -24.657 8.971 -0.147 1.00 20.77 O +ATOM 774 CB ALA X 131 -24.015 6.141 0.317 1.00 20.13 C +ATOM 775 N SER X 132 -22.965 8.919 -1.621 1.00 21.11 N +ATOM 776 CA SER X 132 -22.744 10.382 -1.606 1.00 21.34 C +ATOM 777 C SER X 132 -23.498 11.063 -2.736 1.00 21.45 C +ATOM 778 O SER X 132 -23.456 12.295 -2.841 1.00 21.90 O +ATOM 779 CB SER X 132 -21.258 10.755 -1.734 1.00 21.26 C +ATOM 780 OG SER X 132 -20.563 10.687 -0.502 1.00 22.19 O +ATOM 781 N THR X 133 -24.159 10.263 -3.580 1.00 21.36 N +ATOM 782 CA THR X 133 -24.990 10.752 -4.701 1.00 21.55 C +ATOM 783 C THR X 133 -26.153 11.693 -4.286 1.00 21.87 C +ATOM 784 O THR X 133 -27.100 11.269 -3.618 1.00 21.70 O +ATOM 785 CB THR X 133 -25.589 9.575 -5.483 1.00 21.44 C +ATOM 786 OG1 THR X 133 -24.539 8.684 -5.880 1.00 21.80 O +ATOM 787 CG2 THR X 133 -26.366 10.064 -6.704 1.00 20.75 C +ATOM 788 N PRO X 134 -26.095 12.967 -4.715 1.00 21.87 N +ATOM 789 CA PRO X 134 -27.101 13.880 -4.242 1.00 21.74 C +ATOM 790 C PRO X 134 -28.391 13.762 -5.047 1.00 22.28 C +ATOM 791 O PRO X 134 -28.428 13.148 -6.111 1.00 22.24 O +ATOM 792 CB PRO X 134 -26.434 15.243 -4.443 1.00 21.47 C +ATOM 793 CG PRO X 134 -25.609 15.070 -5.632 1.00 21.09 C +ATOM 794 CD PRO X 134 -25.149 13.629 -5.635 1.00 21.37 C +ATOM 795 N ASP X 135 -29.442 14.353 -4.498 1.00 23.06 N +ATOM 796 CA ASP X 135 -30.777 14.346 -5.064 1.00 23.43 C +ATOM 797 C ASP X 135 -30.970 15.639 -5.873 1.00 23.15 C +ATOM 798 O ASP X 135 -31.381 16.693 -5.352 1.00 22.24 O +ATOM 799 CB ASP X 135 -31.793 14.226 -3.919 1.00 23.89 C +ATOM 800 CG ASP X 135 -33.214 14.363 -4.384 1.00 25.55 C +ATOM 801 OD1 ASP X 135 -33.463 14.226 -5.610 1.00 26.15 O +ATOM 802 OD2 ASP X 135 -34.080 14.620 -3.518 1.00 28.45 O +ATOM 803 N LEU X 136 -30.687 15.524 -7.165 1.00 23.27 N +ATOM 804 CA LEU X 136 -30.500 16.699 -8.005 1.00 22.95 C +ATOM 805 C LEU X 136 -31.783 17.428 -8.364 1.00 23.36 C +ATOM 806 O LEU X 136 -32.627 16.921 -9.113 1.00 23.36 O +ATOM 807 CB LEU X 136 -29.669 16.357 -9.248 1.00 22.40 C +ATOM 808 CG LEU X 136 -28.176 16.115 -8.982 1.00 21.05 C +ATOM 809 CD1 LEU X 136 -27.400 16.127 -10.290 1.00 19.06 C +ATOM 810 CD2 LEU X 136 -27.558 17.120 -7.982 1.00 16.98 C +ATOM 811 N GLN X 137 -31.912 18.625 -7.801 1.00 23.94 N +ATOM 812 CA GLN X 137 -33.042 19.498 -8.087 1.00 24.56 C +ATOM 813 C GLN X 137 -32.748 20.379 -9.309 1.00 25.35 C +ATOM 814 O GLN X 137 -33.338 20.189 -10.379 1.00 25.95 O +ATOM 815 CB GLN X 137 -33.412 20.329 -6.852 1.00 24.32 C +ATOM 816 CG GLN X 137 -33.996 19.507 -5.682 1.00 24.50 C +ATOM 817 CD GLN X 137 -35.031 18.477 -6.150 1.00 25.19 C +ATOM 818 OE1 GLN X 137 -36.058 18.821 -6.748 1.00 26.27 O +ATOM 819 NE2 GLN X 137 -34.755 17.213 -5.889 1.00 25.00 N +ATOM 820 OXT GLN X 137 -31.903 21.284 -9.300 1.00 25.69 O Added: SwiftApps/modFTdock/input/2rii-3.pdb =================================================================== --- SwiftApps/modFTdock/input/2rii-3.pdb (rev 0) +++ SwiftApps/modFTdock/input/2rii-3.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,767 @@ +ATOM 1 N ALA Y 39 4.363 -10.343 42.984 1.00 30.61 N +ATOM 2 CA ALA Y 39 5.149 -10.847 41.812 1.00 31.10 C +ATOM 3 C ALA Y 39 6.575 -10.352 41.879 1.00 31.14 C +ATOM 4 O ALA Y 39 6.804 -9.144 41.941 1.00 31.71 O +ATOM 5 CB ALA Y 39 4.507 -10.419 40.480 1.00 31.04 C +ATOM 6 N ALA Y 40 7.526 -11.284 41.855 1.00 31.10 N +ATOM 7 CA ALA Y 40 8.954 -10.955 41.851 1.00 30.99 C +ATOM 8 C ALA Y 40 9.331 -10.228 40.561 1.00 30.95 C +ATOM 9 O ALA Y 40 8.824 -10.575 39.489 1.00 30.88 O +ATOM 10 CB ALA Y 40 9.767 -12.212 42.000 1.00 30.81 C +ATOM 11 N VAL Y 41 10.197 -9.218 40.672 1.00 30.95 N +ATOM 12 CA VAL Y 41 10.673 -8.460 39.507 1.00 30.91 C +ATOM 13 C VAL Y 41 11.982 -9.048 39.057 1.00 31.08 C +ATOM 14 O VAL Y 41 12.911 -9.138 39.843 1.00 31.56 O +ATOM 15 CB VAL Y 41 10.933 -6.975 39.832 1.00 30.80 C +ATOM 16 CG1 VAL Y 41 11.564 -6.280 38.631 1.00 30.03 C +ATOM 17 CG2 VAL Y 41 9.644 -6.260 40.257 1.00 30.70 C +ATOM 18 N HIS Y 42 12.070 -9.432 37.794 1.00 31.28 N +ATOM 19 CA HIS Y 42 13.264 -10.118 37.296 1.00 31.76 C +ATOM 20 C HIS Y 42 14.171 -9.270 36.402 1.00 31.41 C +ATOM 21 O HIS Y 42 13.695 -8.403 35.670 1.00 31.84 O +ATOM 22 CB HIS Y 42 12.867 -11.397 36.554 1.00 32.20 C +ATOM 23 CG HIS Y 42 12.395 -12.496 37.454 1.00 33.25 C +ATOM 24 ND1 HIS Y 42 11.118 -13.011 37.389 1.00 34.73 N +ATOM 25 CD2 HIS Y 42 13.025 -13.179 38.439 1.00 33.96 C +ATOM 26 CE1 HIS Y 42 10.982 -13.961 38.299 1.00 34.68 C +ATOM 27 NE2 HIS Y 42 12.124 -14.082 38.950 1.00 34.40 N +ATOM 28 N ASN Y 43 15.474 -9.550 36.460 1.00 30.74 N +ATOM 29 CA ASN Y 43 16.477 -8.904 35.602 1.00 30.21 C +ATOM 30 C ASN Y 43 16.717 -9.654 34.326 1.00 29.71 C +ATOM 31 O ASN Y 43 17.708 -10.368 34.183 1.00 29.92 O +ATOM 32 CB ASN Y 43 17.791 -8.739 36.337 1.00 29.89 C +ATOM 33 CG ASN Y 43 17.750 -7.596 37.276 1.00 31.17 C +ATOM 34 OD1 ASN Y 43 17.214 -6.527 36.942 1.00 32.47 O +ATOM 35 ND2 ASN Y 43 18.284 -7.795 38.478 1.00 31.31 N +ATOM 36 N VAL Y 44 15.801 -9.482 33.395 1.00 29.27 N +ATOM 37 CA VAL Y 44 15.804 -10.287 32.197 1.00 28.82 C +ATOM 38 C VAL Y 44 16.617 -9.591 31.118 1.00 29.04 C +ATOM 39 O VAL Y 44 16.594 -8.353 30.998 1.00 28.43 O +ATOM 40 CB VAL Y 44 14.367 -10.657 31.756 1.00 28.59 C +ATOM 41 CG1 VAL Y 44 13.356 -9.777 32.456 1.00 28.39 C +ATOM 42 CG2 VAL Y 44 14.201 -10.616 30.244 1.00 28.13 C +ATOM 43 N PRO Y 45 17.391 -10.390 30.372 1.00 29.02 N +ATOM 44 CA PRO Y 45 18.210 -9.873 29.296 1.00 29.12 C +ATOM 45 C PRO Y 45 17.348 -9.446 28.122 1.00 29.13 C +ATOM 46 O PRO Y 45 16.412 -10.154 27.734 1.00 28.81 O +ATOM 47 CB PRO Y 45 19.114 -11.058 28.926 1.00 29.02 C +ATOM 48 CG PRO Y 45 18.401 -12.252 29.383 1.00 29.44 C +ATOM 49 CD PRO Y 45 17.550 -11.844 30.552 1.00 29.08 C +ATOM 50 N LEU Y 46 17.677 -8.290 27.559 1.00 29.01 N +ATOM 51 CA LEU Y 46 16.901 -7.735 26.464 1.00 28.87 C +ATOM 52 C LEU Y 46 16.852 -8.672 25.259 1.00 28.61 C +ATOM 53 O LEU Y 46 15.900 -8.643 24.469 1.00 28.80 O +ATOM 54 CB LEU Y 46 17.480 -6.388 26.062 1.00 28.89 C +ATOM 55 CG LEU Y 46 17.144 -5.101 26.837 1.00 28.84 C +ATOM 56 CD1 LEU Y 46 17.286 -5.197 28.344 1.00 29.26 C +ATOM 57 CD2 LEU Y 46 18.008 -3.966 26.324 1.00 29.19 C +ATOM 58 N SER Y 47 17.869 -9.519 25.145 1.00 28.42 N +ATOM 59 CA SER Y 47 18.039 -10.386 23.980 1.00 28.15 C +ATOM 60 C SER Y 47 17.188 -11.630 24.060 1.00 27.57 C +ATOM 61 O SER Y 47 16.999 -12.311 23.054 1.00 27.70 O +ATOM 62 CB SER Y 47 19.495 -10.804 23.865 1.00 28.43 C +ATOM 63 OG SER Y 47 19.890 -11.492 25.042 1.00 28.97 O +ATOM 64 N VAL Y 48 16.715 -11.941 25.267 1.00 27.08 N +ATOM 65 CA VAL Y 48 15.795 -13.066 25.481 1.00 26.34 C +ATOM 66 C VAL Y 48 14.355 -12.751 24.987 1.00 25.54 C +ATOM 67 O VAL Y 48 13.610 -13.656 24.570 1.00 25.62 O +ATOM 68 CB VAL Y 48 15.812 -13.545 26.970 1.00 26.53 C +ATOM 69 CG1 VAL Y 48 15.254 -12.506 27.878 1.00 26.64 C +ATOM 70 CG2 VAL Y 48 15.018 -14.813 27.153 1.00 26.17 C +ATOM 71 N LEU Y 49 13.994 -11.468 24.998 1.00 24.14 N +ATOM 72 CA LEU Y 49 12.621 -11.032 24.755 1.00 22.66 C +ATOM 73 C LEU Y 49 12.179 -11.060 23.286 1.00 22.30 C +ATOM 74 O LEU Y 49 12.777 -10.401 22.437 1.00 22.43 O +ATOM 75 CB LEU Y 49 12.438 -9.630 25.325 1.00 22.04 C +ATOM 76 CG LEU Y 49 12.561 -9.499 26.837 1.00 21.49 C +ATOM 77 CD1 LEU Y 49 12.460 -8.051 27.206 1.00 20.67 C +ATOM 78 CD2 LEU Y 49 11.509 -10.325 27.588 1.00 20.07 C +ATOM 79 N ILE Y 50 11.126 -11.809 22.983 1.00 21.44 N +ATOM 80 CA ILE Y 50 10.564 -11.770 21.645 1.00 20.90 C +ATOM 81 C ILE Y 50 9.582 -10.614 21.552 1.00 21.54 C +ATOM 82 O ILE Y 50 8.578 -10.576 22.264 1.00 21.49 O +ATOM 83 CB ILE Y 50 9.827 -13.039 21.307 1.00 20.67 C +ATOM 84 CG1 ILE Y 50 10.600 -14.250 21.836 1.00 20.24 C +ATOM 85 CG2 ILE Y 50 9.590 -13.120 19.812 1.00 20.03 C +ATOM 86 CD1 ILE Y 50 9.846 -15.546 21.733 1.00 18.21 C +ATOM 87 N ARG Y 51 9.882 -9.657 20.679 1.00 21.96 N +ATOM 88 CA ARG Y 51 9.013 -8.512 20.472 1.00 21.80 C +ATOM 89 C ARG Y 51 8.538 -8.564 19.047 1.00 21.73 C +ATOM 90 O ARG Y 51 9.080 -7.875 18.194 1.00 21.38 O +ATOM 91 CB ARG Y 51 9.762 -7.216 20.755 1.00 21.53 C +ATOM 92 CG ARG Y 51 10.324 -7.153 22.163 1.00 22.86 C +ATOM 93 CD ARG Y 51 11.561 -6.265 22.274 1.00 27.40 C +ATOM 94 NE ARG Y 51 12.346 -6.308 21.040 1.00 30.62 N +ATOM 95 CZ ARG Y 51 12.394 -5.324 20.146 1.00 32.62 C +ATOM 96 NH1 ARG Y 51 11.743 -4.181 20.354 1.00 32.44 N +ATOM 97 NH2 ARG Y 51 13.111 -5.480 19.042 1.00 35.44 N +ATOM 98 N PRO Y 52 7.519 -9.392 18.778 1.00 22.14 N +ATOM 99 CA PRO Y 52 7.121 -9.638 17.410 1.00 22.89 C +ATOM 100 C PRO Y 52 6.111 -8.617 16.897 1.00 24.01 C +ATOM 101 O PRO Y 52 5.594 -8.770 15.787 1.00 24.54 O +ATOM 102 CB PRO Y 52 6.462 -11.013 17.505 1.00 22.48 C +ATOM 103 CG PRO Y 52 5.790 -10.963 18.808 1.00 22.11 C +ATOM 104 CD PRO Y 52 6.668 -10.138 19.719 1.00 21.85 C +ATOM 105 N LEU Y 53 5.816 -7.585 17.682 1.00 25.34 N +ATOM 106 CA LEU Y 53 4.803 -6.617 17.253 1.00 26.40 C +ATOM 107 C LEU Y 53 5.364 -5.382 16.550 1.00 27.36 C +ATOM 108 O LEU Y 53 6.270 -4.712 17.075 1.00 27.60 O +ATOM 109 CB LEU Y 53 3.888 -6.225 18.408 1.00 26.20 C +ATOM 110 CG LEU Y 53 2.847 -7.257 18.847 1.00 26.00 C +ATOM 111 CD1 LEU Y 53 1.867 -6.541 19.747 1.00 27.57 C +ATOM 112 CD2 LEU Y 53 2.113 -7.955 17.694 1.00 24.60 C +ATOM 113 N PRO Y 54 4.822 -5.071 15.356 1.00 28.22 N +ATOM 114 CA PRO Y 54 5.343 -3.920 14.632 1.00 28.99 C +ATOM 115 C PRO Y 54 4.853 -2.706 15.385 1.00 30.03 C +ATOM 116 O PRO Y 54 3.653 -2.454 15.426 1.00 30.68 O +ATOM 117 CB PRO Y 54 4.671 -4.025 13.252 1.00 28.81 C +ATOM 118 CG PRO Y 54 3.454 -4.843 13.460 1.00 28.17 C +ATOM 119 CD PRO Y 54 3.696 -5.721 14.661 1.00 28.13 C +ATOM 120 N SER Y 55 5.750 -1.984 16.024 1.00 31.02 N +ATOM 121 CA SER Y 55 5.293 -0.892 16.846 1.00 32.31 C +ATOM 122 C SER Y 55 6.075 0.368 16.543 1.00 32.47 C +ATOM 123 O SER Y 55 7.304 0.400 16.697 1.00 33.18 O +ATOM 124 CB SER Y 55 5.382 -1.259 18.332 1.00 32.77 C +ATOM 125 OG SER Y 55 4.418 -0.539 19.093 1.00 34.10 O +ATOM 126 N VAL Y 56 5.344 1.387 16.099 1.00 32.07 N +ATOM 127 CA VAL Y 56 5.904 2.688 15.816 1.00 31.90 C +ATOM 128 C VAL Y 56 5.874 3.510 17.091 1.00 31.56 C +ATOM 129 O VAL Y 56 4.831 3.709 17.715 1.00 31.59 O +ATOM 130 CB VAL Y 56 5.158 3.446 14.674 1.00 32.29 C +ATOM 131 CG1 VAL Y 56 5.879 4.777 14.345 1.00 32.44 C +ATOM 132 CG2 VAL Y 56 5.046 2.580 13.415 1.00 32.16 C +ATOM 133 N LEU Y 57 7.047 4.013 17.433 1.00 31.08 N +ATOM 134 CA LEU Y 57 7.313 4.618 18.715 1.00 30.58 C +ATOM 135 C LEU Y 57 7.452 6.122 18.573 1.00 29.94 C +ATOM 136 O LEU Y 57 8.080 6.599 17.634 1.00 30.73 O +ATOM 137 CB LEU Y 57 8.627 4.033 19.249 1.00 30.86 C +ATOM 138 CG LEU Y 57 8.609 2.501 19.371 1.00 31.42 C +ATOM 139 CD1 LEU Y 57 9.880 1.825 18.830 1.00 31.13 C +ATOM 140 CD2 LEU Y 57 8.316 2.112 20.820 1.00 32.30 C +ATOM 141 N ASP Y 58 6.870 6.867 19.503 1.00 28.69 N +ATOM 142 CA ASP Y 58 7.164 8.278 19.633 1.00 27.62 C +ATOM 143 C ASP Y 58 8.584 8.438 20.221 1.00 26.85 C +ATOM 144 O ASP Y 58 8.830 8.089 21.384 1.00 27.21 O +ATOM 145 CB ASP Y 58 6.102 8.935 20.524 1.00 27.84 C +ATOM 146 CG ASP Y 58 6.441 10.374 20.922 1.00 27.97 C +ATOM 147 OD1 ASP Y 58 7.326 11.017 20.312 1.00 29.84 O +ATOM 148 OD2 ASP Y 58 5.803 10.875 21.865 1.00 27.70 O +ATOM 149 N PRO Y 59 9.528 8.960 19.422 1.00 25.55 N +ATOM 150 CA PRO Y 59 10.890 9.132 19.939 1.00 24.77 C +ATOM 151 C PRO Y 59 10.998 10.086 21.138 1.00 23.87 C +ATOM 152 O PRO Y 59 11.955 9.981 21.921 1.00 23.68 O +ATOM 153 CB PRO Y 59 11.660 9.700 18.738 1.00 25.09 C +ATOM 154 CG PRO Y 59 10.610 10.262 17.814 1.00 25.00 C +ATOM 155 CD PRO Y 59 9.398 9.396 18.019 1.00 25.54 C +ATOM 156 N ALA Y 60 10.041 11.008 21.269 1.00 22.41 N +ATOM 157 CA ALA Y 60 10.034 11.948 22.383 1.00 21.29 C +ATOM 158 C ALA Y 60 9.728 11.198 23.684 1.00 20.86 C +ATOM 159 O ALA Y 60 10.409 11.387 24.699 1.00 19.77 O +ATOM 160 CB ALA Y 60 9.035 13.051 22.137 1.00 21.38 C +ATOM 161 N LYS Y 61 8.731 10.315 23.625 1.00 20.70 N +ATOM 162 CA LYS Y 61 8.403 9.443 24.743 1.00 21.16 C +ATOM 163 C LYS Y 61 9.632 8.671 25.201 1.00 21.41 C +ATOM 164 O LYS Y 61 9.946 8.645 26.412 1.00 21.85 O +ATOM 165 CB LYS Y 61 7.276 8.491 24.367 1.00 21.18 C +ATOM 166 CG LYS Y 61 5.923 9.107 24.585 1.00 22.54 C +ATOM 167 CD LYS Y 61 4.827 8.450 23.768 1.00 25.00 C +ATOM 168 CE LYS Y 61 3.540 9.303 23.795 1.00 25.91 C +ATOM 169 NZ LYS Y 61 2.396 8.585 23.161 1.00 26.94 N +ATOM 170 N VAL Y 62 10.343 8.095 24.225 1.00 20.90 N +ATOM 171 CA VAL Y 62 11.508 7.269 24.480 1.00 20.19 C +ATOM 172 C VAL Y 62 12.592 8.086 25.150 1.00 20.89 C +ATOM 173 O VAL Y 62 13.152 7.667 26.175 1.00 21.01 O +ATOM 174 CB VAL Y 62 12.071 6.623 23.188 1.00 19.91 C +ATOM 175 CG1 VAL Y 62 13.352 5.918 23.507 1.00 18.67 C +ATOM 176 CG2 VAL Y 62 11.057 5.632 22.538 1.00 17.83 C +ATOM 177 N GLN Y 63 12.880 9.256 24.585 1.00 21.29 N +ATOM 178 CA GLN Y 63 13.953 10.095 25.111 1.00 21.67 C +ATOM 179 C GLN Y 63 13.680 10.551 26.552 1.00 22.01 C +ATOM 180 O GLN Y 63 14.593 10.598 27.377 1.00 21.78 O +ATOM 181 CB GLN Y 63 14.216 11.299 24.199 1.00 21.74 C +ATOM 182 CG GLN Y 63 15.490 12.061 24.578 1.00 21.04 C +ATOM 183 CD GLN Y 63 16.681 11.127 24.688 1.00 20.21 C +ATOM 184 OE1 GLN Y 63 17.059 10.471 23.711 1.00 19.83 O +ATOM 185 NE2 GLN Y 63 17.260 11.037 25.882 1.00 19.66 N +ATOM 186 N SER Y 64 12.419 10.864 26.842 1.00 22.54 N +ATOM 187 CA SER Y 64 11.996 11.170 28.208 1.00 23.30 C +ATOM 188 C SER Y 64 12.217 10.008 29.164 1.00 23.87 C +ATOM 189 O SER Y 64 12.600 10.197 30.315 1.00 24.25 O +ATOM 190 CB SER Y 64 10.536 11.585 28.232 1.00 22.83 C +ATOM 191 OG SER Y 64 10.443 12.972 28.013 1.00 22.65 O +ATOM 192 N LEU Y 65 11.991 8.797 28.673 1.00 24.37 N +ATOM 193 CA LEU Y 65 12.241 7.614 29.482 1.00 24.62 C +ATOM 194 C LEU Y 65 13.739 7.362 29.728 1.00 24.96 C +ATOM 195 O LEU Y 65 14.141 7.191 30.885 1.00 24.77 O +ATOM 196 CB LEU Y 65 11.507 6.389 28.913 1.00 24.05 C +ATOM 197 CG LEU Y 65 10.006 6.344 29.274 1.00 23.75 C +ATOM 198 CD1 LEU Y 65 9.155 5.842 28.112 1.00 24.39 C +ATOM 199 CD2 LEU Y 65 9.677 5.546 30.550 1.00 22.48 C +ATOM 200 N VAL Y 66 14.556 7.360 28.668 1.00 25.65 N +ATOM 201 CA VAL Y 66 16.025 7.299 28.840 1.00 26.42 C +ATOM 202 C VAL Y 66 16.445 8.316 29.898 1.00 27.38 C +ATOM 203 O VAL Y 66 17.197 7.989 30.826 1.00 27.54 O +ATOM 204 CB VAL Y 66 16.824 7.572 27.543 1.00 26.06 C +ATOM 205 CG1 VAL Y 66 18.287 7.724 27.847 1.00 26.18 C +ATOM 206 CG2 VAL Y 66 16.649 6.462 26.548 1.00 26.22 C +ATOM 207 N ASP Y 67 15.925 9.536 29.778 1.00 28.22 N +ATOM 208 CA ASP Y 67 16.261 10.581 30.725 1.00 29.48 C +ATOM 209 C ASP Y 67 15.963 10.139 32.140 1.00 30.19 C +ATOM 210 O ASP Y 67 16.875 10.063 32.974 1.00 30.45 O +ATOM 211 CB ASP Y 67 15.538 11.892 30.394 1.00 29.71 C +ATOM 212 CG ASP Y 67 16.108 12.572 29.161 1.00 29.89 C +ATOM 213 OD1 ASP Y 67 17.260 12.264 28.782 1.00 28.93 O +ATOM 214 OD2 ASP Y 67 15.398 13.400 28.561 1.00 29.83 O +ATOM 215 N THR Y 68 14.695 9.821 32.403 1.00 30.71 N +ATOM 216 CA THR Y 68 14.264 9.519 33.764 1.00 31.25 C +ATOM 217 C THR Y 68 15.055 8.336 34.327 1.00 31.60 C +ATOM 218 O THR Y 68 15.527 8.393 35.468 1.00 31.60 O +ATOM 219 CB THR Y 68 12.734 9.297 33.870 1.00 31.31 C +ATOM 220 OG1 THR Y 68 12.062 10.158 32.948 1.00 31.82 O +ATOM 221 CG2 THR Y 68 12.241 9.630 35.264 1.00 31.04 C +ATOM 222 N ILE Y 69 15.239 7.295 33.512 1.00 31.86 N +ATOM 223 CA ILE Y 69 16.021 6.121 33.924 1.00 32.32 C +ATOM 224 C ILE Y 69 17.372 6.465 34.587 1.00 32.98 C +ATOM 225 O ILE Y 69 17.628 6.039 35.715 1.00 32.63 O +ATOM 226 CB ILE Y 69 16.232 5.123 32.765 1.00 32.05 C +ATOM 227 CG1 ILE Y 69 15.023 4.220 32.604 1.00 30.28 C +ATOM 228 CG2 ILE Y 69 17.472 4.245 33.001 1.00 32.72 C +ATOM 229 CD1 ILE Y 69 14.884 3.739 31.220 1.00 28.99 C +ATOM 230 N ARG Y 70 18.222 7.229 33.898 1.00 33.75 N +ATOM 231 CA ARG Y 70 19.545 7.506 34.431 1.00 34.87 C +ATOM 232 C ARG Y 70 19.435 8.304 35.730 1.00 35.34 C +ATOM 233 O ARG Y 70 20.256 8.131 36.628 1.00 35.45 O +ATOM 234 CB ARG Y 70 20.483 8.145 33.383 1.00 35.02 C +ATOM 235 CG ARG Y 70 20.342 9.660 33.112 1.00 35.76 C +ATOM 236 CD ARG Y 70 21.534 10.204 32.285 1.00 36.12 C +ATOM 237 NE ARG Y 70 21.302 10.192 30.831 1.00 38.71 N +ATOM 238 CZ ARG Y 70 21.580 9.174 30.002 1.00 39.49 C +ATOM 239 NH1 ARG Y 70 22.107 8.042 30.461 1.00 39.86 N +ATOM 240 NH2 ARG Y 70 21.328 9.285 28.697 1.00 38.29 N +ATOM 241 N GLU Y 71 18.394 9.133 35.846 1.00 35.77 N +ATOM 242 CA GLU Y 71 18.128 9.874 37.085 1.00 36.34 C +ATOM 243 C GLU Y 71 17.528 9.000 38.193 1.00 35.87 C +ATOM 244 O GLU Y 71 18.138 8.833 39.249 1.00 36.16 O +ATOM 245 CB GLU Y 71 17.187 11.050 36.833 1.00 36.86 C +ATOM 246 CG GLU Y 71 17.438 11.798 35.542 1.00 39.79 C +ATOM 247 CD GLU Y 71 18.650 12.699 35.608 1.00 42.44 C +ATOM 248 OE1 GLU Y 71 18.459 13.928 35.458 1.00 42.99 O +ATOM 249 OE2 GLU Y 71 19.777 12.176 35.807 1.00 43.36 O +ATOM 250 N ASP Y 72 16.335 8.457 37.950 1.00 34.98 N +ATOM 251 CA ASP Y 72 15.574 7.757 38.972 1.00 34.32 C +ATOM 252 C ASP Y 72 15.041 6.427 38.423 1.00 33.98 C +ATOM 253 O ASP Y 72 13.847 6.327 38.092 1.00 34.05 O +ATOM 254 CB ASP Y 72 14.430 8.661 39.442 1.00 34.47 C +ATOM 255 CG ASP Y 72 13.602 8.055 40.572 1.00 35.05 C +ATOM 256 OD1 ASP Y 72 13.722 6.838 40.850 1.00 35.71 O +ATOM 257 OD2 ASP Y 72 12.805 8.810 41.178 1.00 35.26 O +ATOM 258 N PRO Y 73 15.913 5.393 38.338 1.00 33.26 N +ATOM 259 CA PRO Y 73 15.519 4.171 37.635 1.00 32.81 C +ATOM 260 C PRO Y 73 14.349 3.496 38.325 1.00 32.54 C +ATOM 261 O PRO Y 73 13.566 2.795 37.681 1.00 32.48 O +ATOM 262 CB PRO Y 73 16.768 3.282 37.718 1.00 32.74 C +ATOM 263 CG PRO Y 73 17.880 4.195 38.072 1.00 32.82 C +ATOM 264 CD PRO Y 73 17.269 5.281 38.896 1.00 33.01 C +ATOM 265 N ASP Y 74 14.213 3.725 39.626 1.00 32.19 N +ATOM 266 CA ASP Y 74 13.145 3.084 40.375 1.00 31.89 C +ATOM 267 C ASP Y 74 11.818 3.845 40.373 1.00 31.46 C +ATOM 268 O ASP Y 74 10.900 3.460 41.087 1.00 31.66 O +ATOM 269 CB ASP Y 74 13.611 2.745 41.793 1.00 32.31 C +ATOM 270 CG ASP Y 74 14.618 1.594 41.818 1.00 32.17 C +ATOM 271 OD1 ASP Y 74 15.208 1.278 40.764 1.00 31.95 O +ATOM 272 OD2 ASP Y 74 14.821 1.001 42.896 1.00 32.07 O +ATOM 273 N SER Y 75 11.711 4.906 39.568 1.00 30.55 N +ATOM 274 CA SER Y 75 10.414 5.526 39.318 1.00 29.68 C +ATOM 275 C SER Y 75 9.807 5.019 38.002 1.00 29.19 C +ATOM 276 O SER Y 75 8.694 5.416 37.616 1.00 29.24 O +ATOM 277 CB SER Y 75 10.494 7.060 39.358 1.00 30.03 C +ATOM 278 OG SER Y 75 11.151 7.610 38.225 1.00 29.96 O +ATOM 279 N VAL Y 76 10.535 4.124 37.337 1.00 27.86 N +ATOM 280 CA VAL Y 76 10.114 3.543 36.074 1.00 26.65 C +ATOM 281 C VAL Y 76 9.635 2.099 36.314 1.00 26.31 C +ATOM 282 O VAL Y 76 10.424 1.220 36.660 1.00 26.10 O +ATOM 283 CB VAL Y 76 11.275 3.637 35.046 1.00 26.82 C +ATOM 284 CG1 VAL Y 76 10.935 2.968 33.719 1.00 25.19 C +ATOM 285 CG2 VAL Y 76 11.667 5.099 34.831 1.00 26.64 C +ATOM 286 N PRO Y 77 8.331 1.838 36.135 1.00 25.99 N +ATOM 287 CA PRO Y 77 7.838 0.553 36.607 1.00 25.68 C +ATOM 288 C PRO Y 77 8.196 -0.559 35.637 1.00 25.28 C +ATOM 289 O PRO Y 77 8.346 -0.312 34.445 1.00 24.92 O +ATOM 290 CB PRO Y 77 6.327 0.762 36.639 1.00 25.68 C +ATOM 291 CG PRO Y 77 6.062 1.704 35.544 1.00 24.98 C +ATOM 292 CD PRO Y 77 7.264 2.621 35.489 1.00 26.18 C +ATOM 293 N PRO Y 78 8.309 -1.787 36.142 1.00 25.32 N +ATOM 294 CA PRO Y 78 8.774 -2.890 35.309 1.00 25.23 C +ATOM 295 C PRO Y 78 7.750 -3.245 34.249 1.00 25.17 C +ATOM 296 O PRO Y 78 6.555 -2.967 34.415 1.00 25.41 O +ATOM 297 CB PRO Y 78 8.961 -4.039 36.307 1.00 24.95 C +ATOM 298 CG PRO Y 78 8.070 -3.732 37.439 1.00 25.13 C +ATOM 299 CD PRO Y 78 7.990 -2.219 37.516 1.00 25.76 C +ATOM 300 N ILE Y 79 8.223 -3.836 33.158 1.00 24.97 N +ATOM 301 CA ILE Y 79 7.360 -4.171 32.035 1.00 24.77 C +ATOM 302 C ILE Y 79 6.747 -5.511 32.317 1.00 24.79 C +ATOM 303 O ILE Y 79 7.118 -6.164 33.278 1.00 25.17 O +ATOM 304 CB ILE Y 79 8.144 -4.185 30.722 1.00 24.74 C +ATOM 305 CG1 ILE Y 79 9.143 -5.352 30.689 1.00 25.15 C +ATOM 306 CG2 ILE Y 79 8.886 -2.863 30.563 1.00 25.07 C +ATOM 307 CD1 ILE Y 79 9.995 -5.436 29.430 1.00 24.75 C +ATOM 308 N ASP Y 80 5.791 -5.919 31.505 1.00 25.09 N +ATOM 309 CA ASP Y 80 5.236 -7.235 31.654 1.00 25.57 C +ATOM 310 C ASP Y 80 5.680 -8.094 30.493 1.00 26.05 C +ATOM 311 O ASP Y 80 5.715 -7.671 29.331 1.00 26.86 O +ATOM 312 CB ASP Y 80 3.713 -7.207 31.770 1.00 25.60 C +ATOM 313 CG ASP Y 80 3.232 -6.607 33.080 1.00 27.09 C +ATOM 314 OD1 ASP Y 80 3.624 -7.084 34.169 1.00 29.97 O +ATOM 315 OD2 ASP Y 80 2.448 -5.646 33.028 1.00 28.04 O +ATOM 316 N VAL Y 81 6.022 -9.323 30.831 1.00 26.64 N +ATOM 317 CA VAL Y 81 6.619 -10.233 29.893 1.00 26.79 C +ATOM 318 C VAL Y 81 5.832 -11.494 29.970 1.00 26.91 C +ATOM 319 O VAL Y 81 5.743 -12.107 31.033 1.00 26.99 O +ATOM 320 CB VAL Y 81 8.074 -10.522 30.274 1.00 26.55 C +ATOM 321 CG1 VAL Y 81 8.572 -11.790 29.593 1.00 26.00 C +ATOM 322 CG2 VAL Y 81 8.924 -9.334 29.910 1.00 26.72 C +ATOM 323 N LEU Y 82 5.258 -11.872 28.837 1.00 27.13 N +ATOM 324 CA LEU Y 82 4.452 -13.072 28.759 1.00 27.77 C +ATOM 325 C LEU Y 82 5.374 -14.287 28.777 1.00 28.06 C +ATOM 326 O LEU Y 82 6.184 -14.456 27.868 1.00 28.49 O +ATOM 327 CB LEU Y 82 3.617 -13.051 27.476 1.00 27.53 C +ATOM 328 CG LEU Y 82 2.112 -13.209 27.672 1.00 27.84 C +ATOM 329 CD1 LEU Y 82 1.551 -11.938 28.267 1.00 28.60 C +ATOM 330 CD2 LEU Y 82 1.389 -13.520 26.369 1.00 27.61 C +ATOM 331 N TRP Y 83 5.263 -15.114 29.813 1.00 28.69 N +ATOM 332 CA TRP Y 83 5.982 -16.403 29.876 1.00 29.15 C +ATOM 333 C TRP Y 83 5.154 -17.551 29.344 1.00 28.91 C +ATOM 334 O TRP Y 83 4.124 -17.913 29.914 1.00 29.25 O +ATOM 335 CB TRP Y 83 6.449 -16.721 31.300 1.00 29.56 C +ATOM 336 CG TRP Y 83 7.302 -17.948 31.421 1.00 30.05 C +ATOM 337 CD1 TRP Y 83 7.764 -18.750 30.405 1.00 30.89 C +ATOM 338 CD2 TRP Y 83 7.832 -18.498 32.635 1.00 30.73 C +ATOM 339 NE1 TRP Y 83 8.530 -19.773 30.918 1.00 31.00 N +ATOM 340 CE2 TRP Y 83 8.591 -19.643 32.282 1.00 30.68 C +ATOM 341 CE3 TRP Y 83 7.732 -18.142 33.988 1.00 30.31 C +ATOM 342 CZ2 TRP Y 83 9.252 -20.429 33.234 1.00 30.85 C +ATOM 343 CZ3 TRP Y 83 8.387 -18.927 34.934 1.00 30.90 C +ATOM 344 CH2 TRP Y 83 9.141 -20.060 34.550 1.00 30.39 C +ATOM 345 N ILE Y 84 5.651 -18.131 28.262 1.00 28.90 N +ATOM 346 CA ILE Y 84 4.978 -19.195 27.543 1.00 28.94 C +ATOM 347 C ILE Y 84 5.895 -20.418 27.384 1.00 28.97 C +ATOM 348 O ILE Y 84 7.051 -20.309 26.961 1.00 29.21 O +ATOM 349 CB ILE Y 84 4.495 -18.683 26.159 1.00 28.81 C +ATOM 350 CG1 ILE Y 84 3.395 -17.634 26.335 1.00 29.22 C +ATOM 351 CG2 ILE Y 84 3.955 -19.814 25.297 1.00 29.74 C +ATOM 352 CD1 ILE Y 84 3.414 -16.550 25.282 1.00 29.10 C +ATOM 353 N LYS Y 85 5.358 -21.579 27.744 1.00 28.98 N +ATOM 354 CA LYS Y 85 5.998 -22.856 27.493 1.00 28.62 C +ATOM 355 C LYS Y 85 5.368 -23.527 26.288 1.00 28.63 C +ATOM 356 O LYS Y 85 4.146 -23.714 26.231 1.00 28.23 O +ATOM 357 CB LYS Y 85 5.912 -23.760 28.727 1.00 28.59 C +ATOM 358 CG LYS Y 85 7.111 -23.596 29.633 1.00 27.99 C +ATOM 359 CD LYS Y 85 7.347 -24.808 30.507 1.00 27.89 C +ATOM 360 CE LYS Y 85 8.577 -24.605 31.378 1.00 27.17 C +ATOM 361 NZ LYS Y 85 8.412 -23.405 32.226 1.00 25.92 N +ATOM 362 N GLY Y 86 6.210 -23.880 25.323 1.00 28.64 N +ATOM 363 CA GLY Y 86 5.751 -24.559 24.113 1.00 29.01 C +ATOM 364 C GLY Y 86 5.483 -26.038 24.319 1.00 29.28 C +ATOM 365 O GLY Y 86 5.638 -26.562 25.422 1.00 28.87 O +ATOM 366 N ALA Y 87 5.098 -26.710 23.240 1.00 29.70 N +ATOM 367 CA ALA Y 87 4.794 -28.141 23.252 1.00 29.93 C +ATOM 368 C ALA Y 87 5.822 -29.067 23.961 1.00 30.25 C +ATOM 369 O ALA Y 87 5.467 -30.184 24.354 1.00 30.40 O +ATOM 370 CB ALA Y 87 4.523 -28.616 21.842 1.00 29.61 C +ATOM 371 N GLN Y 88 7.065 -28.614 24.145 1.00 30.33 N +ATOM 372 CA GLN Y 88 8.089 -29.416 24.844 1.00 30.87 C +ATOM 373 C GLN Y 88 8.599 -28.691 26.093 1.00 30.74 C +ATOM 374 O GLN Y 88 7.835 -28.045 26.806 1.00 30.99 O +ATOM 375 CB GLN Y 88 9.262 -29.754 23.910 1.00 30.65 C +ATOM 376 CG GLN Y 88 8.890 -30.654 22.715 1.00 31.71 C +ATOM 377 CD GLN Y 88 9.972 -30.736 21.612 1.00 32.29 C +ATOM 378 OE1 GLN Y 88 9.818 -31.498 20.639 1.00 34.33 O +ATOM 379 NE2 GLN Y 88 11.058 -29.954 21.753 1.00 32.49 N +ATOM 380 N GLY Y 89 9.891 -28.794 26.369 1.00 30.62 N +ATOM 381 CA GLY Y 89 10.478 -27.981 27.425 1.00 30.36 C +ATOM 382 C GLY Y 89 10.281 -26.493 27.159 1.00 29.81 C +ATOM 383 O GLY Y 89 10.270 -25.692 28.098 1.00 29.54 O +ATOM 384 N GLY Y 90 10.094 -26.156 25.876 1.00 29.58 N +ATOM 385 CA GLY Y 90 10.150 -24.783 25.314 1.00 29.21 C +ATOM 386 C GLY Y 90 9.884 -23.507 26.114 1.00 28.98 C +ATOM 387 O GLY Y 90 8.726 -23.143 26.374 1.00 28.90 O +ATOM 388 N ASP Y 91 10.960 -22.804 26.468 1.00 28.81 N +ATOM 389 CA ASP Y 91 10.858 -21.499 27.146 1.00 28.66 C +ATOM 390 C ASP Y 91 10.895 -20.298 26.197 1.00 28.39 C +ATOM 391 O ASP Y 91 11.890 -20.060 25.495 1.00 28.14 O +ATOM 392 CB ASP Y 91 11.942 -21.336 28.212 1.00 28.72 C +ATOM 393 CG ASP Y 91 11.480 -21.759 29.589 1.00 30.00 C +ATOM 394 OD1 ASP Y 91 12.334 -21.821 30.510 1.00 31.15 O +ATOM 395 OD2 ASP Y 91 10.264 -22.020 29.754 1.00 30.96 O +ATOM 396 N TYR Y 92 9.805 -19.534 26.201 1.00 27.92 N +ATOM 397 CA TYR Y 92 9.706 -18.321 25.414 1.00 27.22 C +ATOM 398 C TYR Y 92 9.219 -17.225 26.322 1.00 26.92 C +ATOM 399 O TYR Y 92 8.349 -17.462 27.162 1.00 27.00 O +ATOM 400 CB TYR Y 92 8.722 -18.519 24.274 1.00 27.35 C +ATOM 401 CG TYR Y 92 9.039 -19.722 23.420 1.00 27.81 C +ATOM 402 CD1 TYR Y 92 8.689 -21.013 23.823 1.00 27.59 C +ATOM 403 CD2 TYR Y 92 9.713 -19.573 22.218 1.00 27.48 C +ATOM 404 CE1 TYR Y 92 8.997 -22.113 23.026 1.00 27.62 C +ATOM 405 CE2 TYR Y 92 10.025 -20.656 21.424 1.00 26.78 C +ATOM 406 CZ TYR Y 92 9.664 -21.918 21.821 1.00 27.58 C +ATOM 407 OH TYR Y 92 9.987 -22.975 20.997 1.00 28.42 O +ATOM 408 N PHE Y 93 9.799 -16.035 26.163 1.00 26.34 N +ATOM 409 CA PHE Y 93 9.362 -14.841 26.874 1.00 25.30 C +ATOM 410 C PHE Y 93 9.045 -13.694 25.898 1.00 24.74 C +ATOM 411 O PHE Y 93 9.943 -13.079 25.319 1.00 24.83 O +ATOM 412 CB PHE Y 93 10.406 -14.412 27.909 1.00 25.55 C +ATOM 413 CG PHE Y 93 10.890 -15.527 28.793 1.00 25.84 C +ATOM 414 CD1 PHE Y 93 10.194 -15.881 29.936 1.00 27.48 C +ATOM 415 CD2 PHE Y 93 12.059 -16.209 28.493 1.00 25.87 C +ATOM 416 CE1 PHE Y 93 10.661 -16.916 30.753 1.00 27.82 C +ATOM 417 CE2 PHE Y 93 12.533 -17.234 29.309 1.00 25.51 C +ATOM 418 CZ PHE Y 93 11.840 -17.589 30.431 1.00 25.72 C +ATOM 419 N TYR Y 94 7.761 -13.402 25.721 1.00 24.08 N +ATOM 420 CA TYR Y 94 7.348 -12.322 24.830 1.00 23.20 C +ATOM 421 C TYR Y 94 7.297 -10.972 25.551 1.00 23.36 C +ATOM 422 O TYR Y 94 7.340 -10.907 26.780 1.00 23.83 O +ATOM 423 CB TYR Y 94 6.000 -12.639 24.212 1.00 22.27 C +ATOM 424 CG TYR Y 94 6.043 -13.612 23.069 1.00 21.17 C +ATOM 425 CD1 TYR Y 94 5.925 -13.174 21.757 1.00 20.82 C +ATOM 426 CD2 TYR Y 94 6.168 -14.983 23.293 1.00 20.72 C +ATOM 427 CE1 TYR Y 94 5.941 -14.074 20.690 1.00 20.51 C +ATOM 428 CE2 TYR Y 94 6.188 -15.893 22.236 1.00 19.16 C +ATOM 429 CZ TYR Y 94 6.076 -15.432 20.943 1.00 20.56 C +ATOM 430 OH TYR Y 94 6.097 -16.325 19.895 1.00 21.06 O +ATOM 431 N SER Y 95 7.223 -9.896 24.781 1.00 23.24 N +ATOM 432 CA SER Y 95 7.048 -8.576 25.343 1.00 23.29 C +ATOM 433 C SER Y 95 6.314 -7.719 24.353 1.00 23.72 C +ATOM 434 O SER Y 95 6.687 -7.631 23.183 1.00 23.57 O +ATOM 435 CB SER Y 95 8.362 -7.926 25.671 1.00 22.79 C +ATOM 436 OG SER Y 95 8.098 -6.637 26.164 1.00 24.00 O +ATOM 437 N PHE Y 96 5.276 -7.075 24.862 1.00 24.37 N +ATOM 438 CA PHE Y 96 4.237 -6.470 24.062 1.00 24.60 C +ATOM 439 C PHE Y 96 3.959 -5.098 24.645 1.00 25.42 C +ATOM 440 O PHE Y 96 3.671 -4.157 23.914 1.00 25.55 O +ATOM 441 CB PHE Y 96 2.960 -7.294 24.174 1.00 24.10 C +ATOM 442 CG PHE Y 96 3.038 -8.675 23.574 1.00 23.24 C +ATOM 443 CD1 PHE Y 96 3.191 -8.859 22.200 1.00 22.69 C +ATOM 444 CD2 PHE Y 96 2.867 -9.799 24.374 1.00 21.87 C +ATOM 445 CE1 PHE Y 96 3.223 -10.167 21.640 1.00 22.66 C +ATOM 446 CE2 PHE Y 96 2.885 -11.101 23.819 1.00 21.54 C +ATOM 447 CZ PHE Y 96 3.068 -11.284 22.458 1.00 21.01 C +ATOM 448 N GLY Y 97 4.039 -5.000 25.973 1.00 26.27 N +ATOM 449 CA GLY Y 97 3.878 -3.734 26.688 1.00 27.20 C +ATOM 450 C GLY Y 97 5.175 -2.964 26.634 1.00 28.19 C +ATOM 451 O GLY Y 97 5.910 -3.058 25.643 1.00 28.36 O +ATOM 452 N GLY Y 98 5.456 -2.190 27.681 1.00 28.70 N +ATOM 453 CA GLY Y 98 6.684 -1.406 27.758 1.00 29.56 C +ATOM 454 C GLY Y 98 7.317 -1.075 26.409 1.00 30.49 C +ATOM 455 O GLY Y 98 8.542 -1.045 26.288 1.00 30.75 O +ATOM 456 N CYS Y 99 6.491 -0.812 25.395 1.00 31.07 N +ATOM 457 CA CYS Y 99 6.975 -0.475 24.049 1.00 31.83 C +ATOM 458 C CYS Y 99 8.064 0.595 24.116 1.00 30.90 C +ATOM 459 O CYS Y 99 9.202 0.379 23.691 1.00 30.99 O +ATOM 460 CB CYS Y 99 5.804 -0.008 23.179 1.00 32.19 C +ATOM 461 SG CYS Y 99 4.296 -1.010 23.488 1.00 36.97 S +ATOM 462 N HIS Y 100 7.706 1.734 24.688 1.00 30.04 N +ATOM 463 CA HIS Y 100 8.605 2.863 24.804 1.00 29.40 C +ATOM 464 C HIS Y 100 9.691 2.594 25.868 1.00 29.41 C +ATOM 465 O HIS Y 100 10.808 3.113 25.783 1.00 29.50 O +ATOM 466 CB HIS Y 100 7.808 4.152 25.096 1.00 29.18 C +ATOM 467 CG HIS Y 100 6.880 4.571 23.987 1.00 28.76 C +ATOM 468 ND1 HIS Y 100 5.534 4.788 24.185 1.00 28.51 N +ATOM 469 CD2 HIS Y 100 7.106 4.815 22.672 1.00 29.06 C +ATOM 470 CE1 HIS Y 100 4.971 5.147 23.043 1.00 28.91 C +ATOM 471 NE2 HIS Y 100 5.903 5.175 22.109 1.00 28.28 N +ATOM 472 N ARG Y 101 9.365 1.758 26.849 1.00 29.19 N +ATOM 473 CA ARG Y 101 10.303 1.371 27.905 1.00 28.45 C +ATOM 474 C ARG Y 101 11.403 0.457 27.365 1.00 28.41 C +ATOM 475 O ARG Y 101 12.554 0.529 27.807 1.00 27.83 O +ATOM 476 CB ARG Y 101 9.561 0.695 29.077 1.00 28.63 C +ATOM 477 CG ARG Y 101 9.014 1.662 30.136 1.00 27.60 C +ATOM 478 CD ARG Y 101 8.287 0.929 31.247 1.00 27.94 C +ATOM 479 NE ARG Y 101 6.896 0.631 30.902 1.00 28.13 N +ATOM 480 CZ ARG Y 101 6.065 -0.112 31.632 1.00 27.25 C +ATOM 481 NH1 ARG Y 101 6.469 -0.677 32.764 1.00 25.84 N +ATOM 482 NH2 ARG Y 101 4.823 -0.310 31.206 1.00 28.33 N +ATOM 483 N TYR Y 102 11.059 -0.405 26.411 1.00 28.47 N +ATOM 484 CA TYR Y 102 12.066 -1.301 25.880 1.00 28.46 C +ATOM 485 C TYR Y 102 13.089 -0.440 25.168 1.00 28.25 C +ATOM 486 O TYR Y 102 14.257 -0.455 25.554 1.00 27.99 O +ATOM 487 CB TYR Y 102 11.492 -2.403 24.982 1.00 28.79 C +ATOM 488 CG TYR Y 102 12.562 -3.323 24.415 1.00 29.24 C +ATOM 489 CD1 TYR Y 102 13.130 -4.329 25.200 1.00 29.14 C +ATOM 490 CD2 TYR Y 102 13.020 -3.173 23.105 1.00 29.39 C +ATOM 491 CE1 TYR Y 102 14.127 -5.176 24.695 1.00 30.00 C +ATOM 492 CE2 TYR Y 102 14.012 -4.007 22.582 1.00 30.19 C +ATOM 493 CZ TYR Y 102 14.567 -5.011 23.382 1.00 30.98 C +ATOM 494 OH TYR Y 102 15.558 -5.840 22.881 1.00 30.10 O +ATOM 495 N ALA Y 103 12.637 0.359 24.192 1.00 28.11 N +ATOM 496 CA ALA Y 103 13.537 1.223 23.395 1.00 27.91 C +ATOM 497 C ALA Y 103 14.448 2.031 24.294 1.00 28.06 C +ATOM 498 O ALA Y 103 15.643 2.141 24.034 1.00 28.14 O +ATOM 499 CB ALA Y 103 12.764 2.144 22.492 1.00 27.66 C +ATOM 500 N ALA Y 104 13.879 2.572 25.365 1.00 28.00 N +ATOM 501 CA ALA Y 104 14.638 3.354 26.321 1.00 28.18 C +ATOM 502 C ALA Y 104 15.819 2.556 26.869 1.00 28.62 C +ATOM 503 O ALA Y 104 16.939 3.076 26.963 1.00 29.18 O +ATOM 504 CB ALA Y 104 13.746 3.812 27.440 1.00 28.10 C +ATOM 505 N TYR Y 105 15.564 1.296 27.215 1.00 28.54 N +ATOM 506 CA TYR Y 105 16.593 0.404 27.740 1.00 28.67 C +ATOM 507 C TYR Y 105 17.584 -0.068 26.675 1.00 28.96 C +ATOM 508 O TYR Y 105 18.769 -0.159 26.941 1.00 29.15 O +ATOM 509 CB TYR Y 105 15.962 -0.780 28.492 1.00 28.34 C +ATOM 510 CG TYR Y 105 15.687 -0.450 29.937 1.00 27.46 C +ATOM 511 CD1 TYR Y 105 14.495 0.168 30.335 1.00 26.86 C +ATOM 512 CD2 TYR Y 105 16.637 -0.705 30.899 1.00 26.42 C +ATOM 513 CE1 TYR Y 105 14.265 0.496 31.682 1.00 26.47 C +ATOM 514 CE2 TYR Y 105 16.420 -0.386 32.234 1.00 26.81 C +ATOM 515 CZ TYR Y 105 15.248 0.213 32.621 1.00 27.25 C +ATOM 516 OH TYR Y 105 15.095 0.495 33.957 1.00 28.11 O +ATOM 517 N GLN Y 106 17.116 -0.338 25.467 1.00 29.39 N +ATOM 518 CA GLN Y 106 18.039 -0.703 24.406 1.00 30.12 C +ATOM 519 C GLN Y 106 18.732 0.512 23.773 1.00 30.21 C +ATOM 520 O GLN Y 106 19.767 0.354 23.133 1.00 30.29 O +ATOM 521 CB GLN Y 106 17.373 -1.589 23.343 1.00 30.11 C +ATOM 522 CG GLN Y 106 16.508 -0.836 22.345 1.00 31.37 C +ATOM 523 CD GLN Y 106 16.301 -1.601 21.040 1.00 33.64 C +ATOM 524 OE1 GLN Y 106 15.417 -1.263 20.243 1.00 33.32 O +ATOM 525 NE2 GLN Y 106 17.122 -2.633 20.811 1.00 34.36 N +ATOM 526 N GLN Y 107 18.181 1.711 23.945 1.00 30.58 N +ATOM 527 CA GLN Y 107 18.845 2.910 23.423 1.00 31.00 C +ATOM 528 C GLN Y 107 20.032 3.182 24.313 1.00 31.29 C +ATOM 529 O GLN Y 107 21.103 3.565 23.845 1.00 31.18 O +ATOM 530 CB GLN Y 107 17.935 4.125 23.412 1.00 31.04 C +ATOM 531 CG GLN Y 107 18.409 5.220 22.470 1.00 30.98 C +ATOM 532 CD GLN Y 107 18.209 6.622 23.037 1.00 30.41 C +ATOM 533 OE1 GLN Y 107 18.917 7.049 23.954 1.00 29.12 O +ATOM 534 NE2 GLN Y 107 17.248 7.350 22.479 1.00 30.94 N +ATOM 535 N LEU Y 108 19.836 2.975 25.607 1.00 31.61 N +ATOM 536 CA LEU Y 108 20.957 2.825 26.493 1.00 32.03 C +ATOM 537 C LEU Y 108 21.628 1.483 26.155 1.00 32.58 C +ATOM 538 O LEU Y 108 21.224 0.802 25.215 1.00 32.49 O +ATOM 539 CB LEU Y 108 20.499 2.911 27.948 1.00 32.11 C +ATOM 540 CG LEU Y 108 19.963 4.274 28.421 1.00 32.04 C +ATOM 541 CD1 LEU Y 108 19.803 4.292 29.926 1.00 31.87 C +ATOM 542 CD2 LEU Y 108 20.856 5.431 27.983 1.00 31.57 C +ATOM 543 N GLN Y 109 22.668 1.120 26.893 1.00 33.25 N +ATOM 544 CA GLN Y 109 23.462 -0.075 26.593 1.00 34.00 C +ATOM 545 C GLN Y 109 22.794 -1.323 27.140 1.00 33.69 C +ATOM 546 O GLN Y 109 23.025 -2.430 26.643 1.00 33.81 O +ATOM 547 CB GLN Y 109 24.841 0.032 27.244 1.00 34.70 C +ATOM 548 CG GLN Y 109 25.211 1.438 27.760 1.00 37.53 C +ATOM 549 CD GLN Y 109 24.579 1.807 29.124 1.00 40.75 C +ATOM 550 OE1 GLN Y 109 24.822 1.143 30.141 1.00 41.73 O +ATOM 551 NE2 GLN Y 109 23.795 2.896 29.144 1.00 41.37 N +ATOM 552 N ARG Y 110 21.943 -1.100 28.146 1.00 32.98 N +ATOM 553 CA ARG Y 110 21.506 -2.085 29.149 1.00 31.93 C +ATOM 554 C ARG Y 110 21.352 -3.520 28.700 1.00 31.50 C +ATOM 555 O ARG Y 110 20.737 -3.799 27.661 1.00 31.27 O +ATOM 556 CB ARG Y 110 20.220 -1.605 29.816 1.00 31.65 C +ATOM 557 CG ARG Y 110 20.256 -0.132 30.166 1.00 31.65 C +ATOM 558 CD ARG Y 110 21.334 0.182 31.168 1.00 30.49 C +ATOM 559 NE ARG Y 110 20.766 0.253 32.500 1.00 31.24 N +ATOM 560 CZ ARG Y 110 20.626 1.383 33.189 1.00 32.60 C +ATOM 561 NH1 ARG Y 110 21.028 2.546 32.671 1.00 32.63 N +ATOM 562 NH2 ARG Y 110 20.078 1.355 34.401 1.00 31.50 N +ATOM 563 N GLU Y 111 21.919 -4.417 29.509 1.00 30.81 N +ATOM 564 CA GLU Y 111 21.806 -5.863 29.314 1.00 30.52 C +ATOM 565 C GLU Y 111 20.428 -6.376 29.768 1.00 29.97 C +ATOM 566 O GLU Y 111 19.763 -7.142 29.047 1.00 29.80 O +ATOM 567 CB GLU Y 111 22.918 -6.601 30.076 1.00 30.59 C +ATOM 568 CG GLU Y 111 24.334 -6.008 29.914 1.00 32.34 C +ATOM 569 CD GLU Y 111 25.136 -6.563 28.714 1.00 33.23 C +ATOM 570 OE1 GLU Y 111 26.350 -6.820 28.904 1.00 34.44 O +ATOM 571 OE2 GLU Y 111 24.581 -6.735 27.600 1.00 30.92 O +ATOM 572 N THR Y 112 20.011 -5.953 30.965 1.00 29.03 N +ATOM 573 CA THR Y 112 18.735 -6.378 31.521 1.00 28.22 C +ATOM 574 C THR Y 112 17.731 -5.239 31.669 1.00 27.87 C +ATOM 575 O THR Y 112 18.082 -4.061 31.743 1.00 27.79 O +ATOM 576 CB THR Y 112 18.874 -7.023 32.913 1.00 28.18 C +ATOM 577 OG1 THR Y 112 19.157 -6.011 33.877 1.00 28.08 O +ATOM 578 CG2 THR Y 112 19.960 -8.073 32.945 1.00 28.34 C +ATOM 579 N ILE Y 113 16.464 -5.620 31.727 1.00 27.08 N +ATOM 580 CA ILE Y 113 15.412 -4.690 32.052 1.00 25.94 C +ATOM 581 C ILE Y 113 14.572 -5.287 33.189 1.00 25.32 C +ATOM 582 O ILE Y 113 14.318 -6.500 33.204 1.00 25.17 O +ATOM 583 CB ILE Y 113 14.586 -4.318 30.784 1.00 26.12 C +ATOM 584 CG1 ILE Y 113 13.432 -3.365 31.121 1.00 25.59 C +ATOM 585 CG2 ILE Y 113 14.127 -5.562 30.019 1.00 25.99 C +ATOM 586 CD1 ILE Y 113 12.682 -2.887 29.916 1.00 25.49 C +ATOM 587 N PRO Y 114 14.196 -4.453 34.176 1.00 24.41 N +ATOM 588 CA PRO Y 114 13.270 -4.889 35.204 1.00 24.30 C +ATOM 589 C PRO Y 114 11.931 -5.311 34.591 1.00 24.14 C +ATOM 590 O PRO Y 114 11.313 -4.515 33.847 1.00 24.42 O +ATOM 591 CB PRO Y 114 13.095 -3.623 36.064 1.00 24.60 C +ATOM 592 CG PRO Y 114 14.342 -2.848 35.855 1.00 24.12 C +ATOM 593 CD PRO Y 114 14.643 -3.069 34.407 1.00 24.44 C +ATOM 594 N ALA Y 115 11.497 -6.542 34.877 1.00 23.09 N +ATOM 595 CA ALA Y 115 10.217 -7.019 34.368 1.00 22.71 C +ATOM 596 C ALA Y 115 9.457 -7.940 35.334 1.00 22.76 C +ATOM 597 O ALA Y 115 10.058 -8.640 36.148 1.00 22.63 O +ATOM 598 CB ALA Y 115 10.401 -7.678 33.022 1.00 22.37 C +ATOM 599 N LYS Y 116 8.128 -7.892 35.256 1.00 22.75 N +ATOM 600 CA LYS Y 116 7.264 -8.854 35.924 1.00 22.74 C +ATOM 601 C LYS Y 116 7.017 -9.987 34.949 1.00 22.53 C +ATOM 602 O LYS Y 116 6.754 -9.755 33.766 1.00 22.21 O +ATOM 603 CB LYS Y 116 5.918 -8.220 36.295 1.00 23.19 C +ATOM 604 CG LYS Y 116 5.778 -7.685 37.715 1.00 23.73 C +ATOM 605 CD LYS Y 116 4.290 -7.579 38.087 1.00 26.33 C +ATOM 606 CE LYS Y 116 3.624 -6.267 37.602 1.00 27.40 C +ATOM 607 NZ LYS Y 116 4.141 -5.069 38.355 1.00 27.18 N +ATOM 608 N LEU Y 117 7.081 -11.214 35.442 1.00 22.77 N +ATOM 609 CA LEU Y 117 6.875 -12.377 34.583 1.00 22.95 C +ATOM 610 C LEU Y 117 5.436 -12.908 34.675 1.00 23.35 C +ATOM 611 O LEU Y 117 4.868 -12.985 35.757 1.00 23.49 O +ATOM 612 CB LEU Y 117 7.895 -13.457 34.931 1.00 22.87 C +ATOM 613 CG LEU Y 117 9.309 -13.435 34.328 1.00 22.95 C +ATOM 614 CD1 LEU Y 117 9.569 -14.672 33.488 1.00 24.21 C +ATOM 615 CD2 LEU Y 117 9.600 -12.190 33.527 1.00 22.39 C +ATOM 616 N VAL Y 118 4.845 -13.261 33.539 1.00 23.91 N +ATOM 617 CA VAL Y 118 3.468 -13.714 33.507 1.00 24.71 C +ATOM 618 C VAL Y 118 3.354 -15.025 32.756 1.00 25.79 C +ATOM 619 O VAL Y 118 3.538 -15.058 31.550 1.00 25.81 O +ATOM 620 CB VAL Y 118 2.522 -12.667 32.844 1.00 24.59 C +ATOM 621 CG1 VAL Y 118 1.098 -13.214 32.711 1.00 24.35 C +ATOM 622 CG2 VAL Y 118 2.493 -11.378 33.646 1.00 23.96 C +ATOM 623 N GLN Y 119 3.034 -16.100 33.471 1.00 27.07 N +ATOM 624 CA GLN Y 119 2.733 -17.379 32.839 1.00 28.20 C +ATOM 625 C GLN Y 119 1.495 -17.217 31.981 1.00 28.77 C +ATOM 626 O GLN Y 119 0.600 -16.444 32.321 1.00 28.96 O +ATOM 627 CB GLN Y 119 2.508 -18.467 33.881 1.00 28.30 C +ATOM 628 CG GLN Y 119 3.702 -18.697 34.813 1.00 30.02 C +ATOM 629 CD GLN Y 119 3.892 -20.175 35.175 1.00 32.47 C +ATOM 630 OE1 GLN Y 119 3.914 -20.551 36.360 1.00 32.22 O +ATOM 631 NE2 GLN Y 119 4.029 -21.021 34.145 1.00 33.25 N +ATOM 632 N SER Y 120 1.456 -17.929 30.860 1.00 29.29 N +ATOM 633 CA SER Y 120 0.379 -17.784 29.898 1.00 30.05 C +ATOM 634 C SER Y 120 0.240 -19.022 29.047 1.00 30.86 C +ATOM 635 O SER Y 120 1.185 -19.800 28.893 1.00 31.05 O +ATOM 636 CB SER Y 120 0.634 -16.589 28.974 1.00 30.37 C +ATOM 637 OG SER Y 120 0.079 -15.392 29.489 1.00 29.95 O +ATOM 638 N THR Y 121 -0.948 -19.184 28.475 1.00 31.72 N +ATOM 639 CA THR Y 121 -1.266 -20.323 27.615 1.00 32.53 C +ATOM 640 C THR Y 121 -0.685 -20.059 26.220 1.00 32.61 C +ATOM 641 O THR Y 121 0.263 -19.289 26.083 1.00 32.81 O +ATOM 642 CB THR Y 121 -2.810 -20.537 27.522 1.00 32.69 C +ATOM 643 OG1 THR Y 121 -3.404 -19.472 26.765 1.00 33.26 O +ATOM 644 CG2 THR Y 121 -3.451 -20.571 28.916 1.00 33.06 C +ATOM 645 N LEU Y 122 -1.242 -20.711 25.200 1.00 32.62 N +ATOM 646 CA LEU Y 122 -0.980 -20.354 23.812 1.00 32.50 C +ATOM 647 C LEU Y 122 -2.174 -19.590 23.254 1.00 32.20 C +ATOM 648 O LEU Y 122 -2.054 -18.885 22.252 1.00 32.23 O +ATOM 649 CB LEU Y 122 -0.722 -21.595 22.958 1.00 32.68 C +ATOM 650 CG LEU Y 122 0.463 -22.523 23.253 1.00 34.24 C +ATOM 651 CD1 LEU Y 122 0.405 -23.769 22.324 1.00 35.24 C +ATOM 652 CD2 LEU Y 122 1.833 -21.804 23.151 1.00 34.40 C +ATOM 653 N SER Y 123 -3.329 -19.748 23.894 1.00 31.87 N +ATOM 654 CA SER Y 123 -4.518 -18.986 23.526 1.00 31.94 C +ATOM 655 C SER Y 123 -4.299 -17.545 23.918 1.00 31.33 C +ATOM 656 O SER Y 123 -4.654 -16.643 23.166 1.00 31.53 O +ATOM 657 CB SER Y 123 -5.772 -19.539 24.204 1.00 32.21 C +ATOM 658 OG SER Y 123 -5.943 -20.896 23.846 1.00 33.63 O +ATOM 659 N ASP Y 124 -3.706 -17.344 25.095 1.00 30.58 N +ATOM 660 CA ASP Y 124 -3.194 -16.046 25.498 1.00 29.74 C +ATOM 661 C ASP Y 124 -2.380 -15.460 24.359 1.00 28.76 C +ATOM 662 O ASP Y 124 -2.631 -14.350 23.923 1.00 28.85 O +ATOM 663 CB ASP Y 124 -2.331 -16.179 26.754 1.00 30.28 C +ATOM 664 CG ASP Y 124 -3.154 -16.422 28.011 1.00 31.55 C +ATOM 665 OD1 ASP Y 124 -4.366 -16.134 27.989 1.00 32.15 O +ATOM 666 OD2 ASP Y 124 -2.588 -16.889 29.026 1.00 33.31 O +ATOM 667 N LEU Y 125 -1.427 -16.229 23.850 1.00 27.92 N +ATOM 668 CA LEU Y 125 -0.594 -15.770 22.752 1.00 26.72 C +ATOM 669 C LEU Y 125 -1.418 -15.472 21.510 1.00 26.74 C +ATOM 670 O LEU Y 125 -1.186 -14.463 20.847 1.00 26.66 O +ATOM 671 CB LEU Y 125 0.517 -16.774 22.446 1.00 26.15 C +ATOM 672 CG LEU Y 125 1.648 -16.303 21.529 1.00 24.48 C +ATOM 673 CD1 LEU Y 125 2.521 -15.220 22.156 1.00 23.90 C +ATOM 674 CD2 LEU Y 125 2.489 -17.460 21.144 1.00 22.35 C +ATOM 675 N ARG Y 126 -2.383 -16.338 21.203 1.00 26.86 N +ATOM 676 CA ARG Y 126 -3.173 -16.218 19.970 1.00 27.02 C +ATOM 677 C ARG Y 126 -3.858 -14.839 19.871 1.00 26.59 C +ATOM 678 O ARG Y 126 -3.953 -14.256 18.795 1.00 26.72 O +ATOM 679 CB ARG Y 126 -4.158 -17.382 19.853 1.00 26.85 C +ATOM 680 CG ARG Y 126 -4.699 -17.639 18.444 1.00 28.48 C +ATOM 681 CD ARG Y 126 -5.135 -19.109 18.196 1.00 28.37 C +ATOM 682 NE ARG Y 126 -3.996 -20.018 18.009 1.00 31.52 N +ATOM 683 CZ ARG Y 126 -3.233 -20.085 16.908 1.00 32.71 C +ATOM 684 NH1 ARG Y 126 -3.461 -19.296 15.858 1.00 31.91 N +ATOM 685 NH2 ARG Y 126 -2.224 -20.953 16.852 1.00 32.55 N +ATOM 686 N VAL Y 127 -4.272 -14.305 21.016 1.00 26.37 N +ATOM 687 CA VAL Y 127 -4.802 -12.940 21.133 1.00 25.96 C +ATOM 688 C VAL Y 127 -3.845 -11.879 20.552 1.00 25.77 C +ATOM 689 O VAL Y 127 -4.275 -10.878 19.992 1.00 26.17 O +ATOM 690 CB VAL Y 127 -5.119 -12.591 22.622 1.00 25.94 C +ATOM 691 CG1 VAL Y 127 -5.703 -11.172 22.774 1.00 24.86 C +ATOM 692 CG2 VAL Y 127 -6.047 -13.636 23.233 1.00 26.33 C +ATOM 693 N TYR Y 128 -2.549 -12.094 20.680 1.00 25.13 N +ATOM 694 CA TYR Y 128 -1.600 -11.120 20.191 1.00 24.69 C +ATOM 695 C TYR Y 128 -1.209 -11.367 18.718 1.00 24.60 C +ATOM 696 O TYR Y 128 -1.087 -10.421 17.939 1.00 25.00 O +ATOM 697 CB TYR Y 128 -0.393 -11.032 21.143 1.00 24.63 C +ATOM 698 CG TYR Y 128 -0.813 -10.653 22.550 1.00 25.09 C +ATOM 699 CD1 TYR Y 128 -1.098 -11.634 23.521 1.00 24.73 C +ATOM 700 CD2 TYR Y 128 -0.982 -9.314 22.902 1.00 25.61 C +ATOM 701 CE1 TYR Y 128 -1.519 -11.281 24.806 1.00 24.08 C +ATOM 702 CE2 TYR Y 128 -1.404 -8.944 24.181 1.00 25.10 C +ATOM 703 CZ TYR Y 128 -1.667 -9.926 25.128 1.00 25.55 C +ATOM 704 OH TYR Y 128 -2.083 -9.525 26.384 1.00 25.82 O +ATOM 705 N LEU Y 129 -1.064 -12.626 18.317 1.00 23.93 N +ATOM 706 CA LEU Y 129 -0.402 -12.911 17.043 1.00 23.47 C +ATOM 707 C LEU Y 129 -1.317 -13.423 15.930 1.00 23.28 C +ATOM 708 O LEU Y 129 -0.907 -13.497 14.770 1.00 22.81 O +ATOM 709 CB LEU Y 129 0.812 -13.841 17.248 1.00 23.34 C +ATOM 710 CG LEU Y 129 1.896 -13.463 18.271 1.00 23.09 C +ATOM 711 CD1 LEU Y 129 3.139 -14.313 18.058 1.00 22.38 C +ATOM 712 CD2 LEU Y 129 2.260 -11.973 18.237 1.00 21.59 C +ATOM 713 N GLY Y 130 -2.549 -13.781 16.281 1.00 23.42 N +ATOM 714 CA GLY Y 130 -3.518 -14.276 15.297 1.00 23.72 C +ATOM 715 C GLY Y 130 -2.938 -15.347 14.392 1.00 23.74 C +ATOM 716 O GLY Y 130 -2.348 -16.312 14.869 1.00 24.39 O +ATOM 717 N ALA Y 131 -3.076 -15.174 13.083 1.00 23.62 N +ATOM 718 CA ALA Y 131 -2.570 -16.171 12.137 1.00 23.46 C +ATOM 719 C ALA Y 131 -1.026 -16.203 12.080 1.00 23.37 C +ATOM 720 O ALA Y 131 -0.435 -17.080 11.444 1.00 23.02 O +ATOM 721 CB ALA Y 131 -3.183 -15.970 10.763 1.00 22.88 C +ATOM 722 N SER Y 132 -0.390 -15.253 12.767 1.00 23.22 N +ATOM 723 CA SER Y 132 1.060 -15.247 12.934 1.00 23.06 C +ATOM 724 C SER Y 132 1.529 -15.905 14.255 1.00 23.19 C +ATOM 725 O SER Y 132 2.684 -15.730 14.678 1.00 23.29 O +ATOM 726 CB SER Y 132 1.595 -13.814 12.825 1.00 22.98 C +ATOM 727 OG SER Y 132 1.505 -13.323 11.499 1.00 22.53 O +ATOM 728 N THR Y 133 0.648 -16.658 14.912 1.00 23.25 N +ATOM 729 CA THR Y 133 1.053 -17.424 16.107 1.00 23.36 C +ATOM 730 C THR Y 133 1.844 -18.677 15.672 1.00 23.59 C +ATOM 731 O THR Y 133 1.408 -19.401 14.772 1.00 23.02 O +ATOM 732 CB THR Y 133 -0.159 -17.800 17.010 1.00 23.25 C +ATOM 733 OG1 THR Y 133 -0.969 -16.640 17.234 1.00 23.06 O +ATOM 734 CG2 THR Y 133 0.298 -18.337 18.360 1.00 22.05 C +ATOM 735 N PRO Y 134 3.023 -18.910 16.289 1.00 23.89 N +ATOM 736 CA PRO Y 134 3.903 -20.020 15.900 1.00 24.28 C +ATOM 737 C PRO Y 134 3.553 -21.333 16.589 1.00 24.90 C +ATOM 738 O PRO Y 134 2.933 -21.322 17.657 1.00 25.23 O +ATOM 739 CB PRO Y 134 5.283 -19.544 16.352 1.00 24.04 C +ATOM 740 CG PRO Y 134 5.052 -18.236 17.114 1.00 23.71 C +ATOM 741 CD PRO Y 134 3.605 -18.129 17.389 1.00 23.49 C +ATOM 742 N ASP Y 135 3.926 -22.454 15.974 1.00 25.42 N +ATOM 743 CA ASP Y 135 3.680 -23.782 16.551 1.00 26.01 C +ATOM 744 C ASP Y 135 4.810 -24.017 17.539 1.00 26.20 C +ATOM 745 O ASP Y 135 5.595 -24.952 17.395 1.00 26.68 O +ATOM 746 CB ASP Y 135 3.636 -24.852 15.434 1.00 26.24 C +ATOM 747 CG ASP Y 135 3.482 -26.317 15.959 1.00 27.38 C +ATOM 748 OD1 ASP Y 135 3.076 -26.561 17.128 1.00 27.05 O +ATOM 749 OD2 ASP Y 135 3.776 -27.245 15.162 1.00 27.87 O +ATOM 750 N LEU Y 136 4.903 -23.139 18.537 1.00 26.39 N +ATOM 751 CA LEU Y 136 6.016 -23.146 19.486 1.00 26.49 C +ATOM 752 C LEU Y 136 6.358 -24.550 19.998 1.00 26.93 C +ATOM 753 O LEU Y 136 5.472 -25.389 20.217 1.00 26.59 O +ATOM 754 CB LEU Y 136 5.732 -22.205 20.663 1.00 26.36 C +ATOM 755 CG LEU Y 136 5.572 -20.690 20.433 1.00 26.41 C +ATOM 756 CD1 LEU Y 136 5.246 -19.985 21.736 1.00 24.79 C +ATOM 757 CD2 LEU Y 136 6.816 -20.068 19.807 1.00 24.92 C +ATOM 758 N GLN Y 137 7.651 -24.802 20.185 1.00 27.34 N +ATOM 759 CA GLN Y 137 8.097 -26.109 20.656 1.00 27.49 C +ATOM 760 C GLN Y 137 8.909 -26.047 21.946 1.00 27.77 C +ATOM 761 O GLN Y 137 8.439 -26.509 22.998 1.00 27.96 O +ATOM 762 CB GLN Y 137 8.860 -26.829 19.548 1.00 27.40 C +ATOM 763 CG GLN Y 137 7.967 -27.236 18.396 1.00 27.59 C +ATOM 764 CD GLN Y 137 6.866 -28.198 18.816 1.00 28.25 C +ATOM 765 OE1 GLN Y 137 7.006 -28.926 19.803 1.00 29.93 O +ATOM 766 NE2 GLN Y 137 5.773 -28.219 18.059 1.00 27.29 N +ATOM 767 OXT GLN Y 137 10.038 -25.534 21.967 1.00 27.75 O Added: SwiftApps/modFTdock/input/2rnl-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2rnl-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2rnl-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,737 @@ +ATOM 1 N GLY A 1 27.239 -11.122 7.890 1.00 0.00 N +ATOM 2 CA GLY A 1 28.054 -10.936 9.076 1.00 0.00 C +ATOM 3 C GLY A 1 27.301 -11.252 10.353 1.00 0.00 C +ATOM 4 O GLY A 1 26.958 -12.406 10.610 1.00 0.00 O +ATOM 5 H1 GLY A 1 26.417 -10.600 7.775 1.00 0.00 H +ATOM 6 HA2 GLY A 1 28.918 -11.581 9.011 1.00 0.00 H +ATOM 7 HA3 GLY A 1 28.386 -9.909 9.113 1.00 0.00 H +ATOM 8 N SER A 2 27.044 -10.224 11.156 1.00 0.00 N +ATOM 9 CA SER A 2 26.331 -10.399 12.416 1.00 0.00 C +ATOM 10 C SER A 2 25.148 -9.440 12.509 1.00 0.00 C +ATOM 11 O SER A 2 24.974 -8.568 11.658 1.00 0.00 O +ATOM 12 CB SER A 2 27.278 -10.173 13.597 1.00 0.00 C +ATOM 13 OG SER A 2 26.745 -10.721 14.790 1.00 0.00 O +ATOM 14 H SER A 2 27.343 -9.328 10.896 1.00 0.00 H +ATOM 15 HA SER A 2 25.962 -11.413 12.451 1.00 0.00 H +ATOM 16 HB2 SER A 2 28.226 -10.646 13.391 1.00 0.00 H +ATOM 17 HB3 SER A 2 27.428 -9.112 13.738 1.00 0.00 H +ATOM 18 HG SER A 2 26.523 -10.012 15.398 1.00 0.00 H +ATOM 19 N SER A 3 24.337 -9.609 13.548 1.00 0.00 N +ATOM 20 CA SER A 3 23.167 -8.763 13.751 1.00 0.00 C +ATOM 21 C SER A 3 23.582 -7.325 14.048 1.00 0.00 C +ATOM 22 O SER A 3 24.768 -7.023 14.175 1.00 0.00 O +ATOM 23 CB SER A 3 22.311 -9.306 14.896 1.00 0.00 C +ATOM 24 OG SER A 3 22.931 -9.078 16.150 1.00 0.00 O +ATOM 25 H SER A 3 24.529 -10.323 14.192 1.00 0.00 H +ATOM 26 HA SER A 3 22.586 -8.776 12.841 1.00 0.00 H +ATOM 27 HB2 SER A 3 21.350 -8.813 14.889 1.00 0.00 H +ATOM 28 HB3 SER A 3 22.171 -10.369 14.765 1.00 0.00 H +ATOM 29 HG SER A 3 23.885 -9.098 16.043 1.00 0.00 H +ATOM 30 N GLY A 4 22.595 -6.441 14.158 1.00 0.00 N +ATOM 31 CA GLY A 4 22.876 -5.046 14.440 1.00 0.00 C +ATOM 32 C GLY A 4 21.889 -4.109 13.773 1.00 0.00 C +ATOM 33 O GLY A 4 22.280 -3.219 13.017 1.00 0.00 O +ATOM 34 H GLY A 4 21.668 -6.739 14.047 1.00 0.00 H +ATOM 35 HA2 GLY A 4 22.839 -4.890 15.508 1.00 0.00 H +ATOM 36 HA3 GLY A 4 23.870 -4.813 14.087 1.00 0.00 H +ATOM 37 N SER A 5 20.605 -4.310 14.050 1.00 0.00 N +ATOM 38 CA SER A 5 19.557 -3.480 13.467 1.00 0.00 C +ATOM 39 C SER A 5 19.790 -2.007 13.788 1.00 0.00 C +ATOM 40 O SER A 5 19.591 -1.567 14.920 1.00 0.00 O +ATOM 41 CB SER A 5 18.185 -3.915 13.984 1.00 0.00 C +ATOM 42 OG SER A 5 17.153 -3.490 13.111 1.00 0.00 O +ATOM 43 H SER A 5 20.356 -5.036 14.660 1.00 0.00 H +ATOM 44 HA SER A 5 19.587 -3.612 12.396 1.00 0.00 H +ATOM 45 HB2 SER A 5 18.156 -4.991 14.059 1.00 0.00 H +ATOM 46 HB3 SER A 5 18.017 -3.481 14.960 1.00 0.00 H +ATOM 47 HG SER A 5 17.440 -2.710 12.631 1.00 0.00 H +ATOM 48 N SER A 6 20.214 -1.248 12.781 1.00 0.00 N +ATOM 49 CA SER A 6 20.479 0.175 12.956 1.00 0.00 C +ATOM 50 C SER A 6 19.301 1.011 12.464 1.00 0.00 C +ATOM 51 O SER A 6 19.034 1.083 11.265 1.00 0.00 O +ATOM 52 CB SER A 6 21.751 0.574 12.205 1.00 0.00 C +ATOM 53 OG SER A 6 22.890 -0.059 12.760 1.00 0.00 O +ATOM 54 H SER A 6 20.355 -1.657 11.902 1.00 0.00 H +ATOM 55 HA SER A 6 20.621 0.359 14.010 1.00 0.00 H +ATOM 56 HB2 SER A 6 21.661 0.284 11.169 1.00 0.00 H +ATOM 57 HB3 SER A 6 21.881 1.645 12.268 1.00 0.00 H +ATOM 58 HG SER A 6 23.226 0.467 13.489 1.00 0.00 H +ATOM 59 N GLY A 7 18.599 1.641 13.401 1.00 0.00 N +ATOM 60 CA GLY A 7 17.457 2.463 13.045 1.00 0.00 C +ATOM 61 C GLY A 7 16.501 1.753 12.107 1.00 0.00 C +ATOM 62 O GLY A 7 16.707 1.737 10.893 1.00 0.00 O +ATOM 63 H GLY A 7 18.858 1.547 14.341 1.00 0.00 H +ATOM 64 HA2 GLY A 7 16.927 2.734 13.946 1.00 0.00 H +ATOM 65 HA3 GLY A 7 17.812 3.363 12.564 1.00 0.00 H +ATOM 66 N LYS A 8 15.452 1.163 12.670 1.00 0.00 N +ATOM 67 CA LYS A 8 14.460 0.447 11.877 1.00 0.00 C +ATOM 68 C LYS A 8 13.319 1.372 11.468 1.00 0.00 C +ATOM 69 O LYS A 8 12.687 2.006 12.314 1.00 0.00 O +ATOM 70 CB LYS A 8 13.909 -0.743 12.665 1.00 0.00 C +ATOM 71 CG LYS A 8 12.733 -1.428 11.990 1.00 0.00 C +ATOM 72 CD LYS A 8 12.049 -2.412 12.925 1.00 0.00 C +ATOM 73 CE LYS A 8 12.869 -3.682 13.093 1.00 0.00 C +ATOM 74 NZ LYS A 8 12.115 -4.735 13.829 1.00 0.00 N +ATOM 75 H LYS A 8 15.342 1.210 13.643 1.00 0.00 H +ATOM 76 HA LYS A 8 14.948 0.082 10.985 1.00 0.00 H +ATOM 77 HB2 LYS A 8 14.697 -1.470 12.795 1.00 0.00 H +ATOM 78 HB3 LYS A 8 13.587 -0.397 13.637 1.00 0.00 H +ATOM 79 HG2 LYS A 8 12.017 -0.679 11.687 1.00 0.00 H +ATOM 80 HG3 LYS A 8 13.090 -1.961 11.120 1.00 0.00 H +ATOM 81 HD2 LYS A 8 11.922 -1.948 13.892 1.00 0.00 H +ATOM 82 HD3 LYS A 8 11.082 -2.669 12.517 1.00 0.00 H +ATOM 83 HE2 LYS A 8 13.133 -4.057 12.116 1.00 0.00 H +ATOM 84 HE3 LYS A 8 13.768 -3.445 13.643 1.00 0.00 H +ATOM 85 HZ1 LYS A 8 12.287 -5.665 13.398 1.00 0.00 H +ATOM 86 HZ2 LYS A 8 11.095 -4.533 13.796 1.00 0.00 H +ATOM 87 HZ3 LYS A 8 12.419 -4.764 14.823 1.00 0.00 H +ATOM 88 N LYS A 9 13.058 1.445 10.167 1.00 0.00 N +ATOM 89 CA LYS A 9 11.991 2.291 9.646 1.00 0.00 C +ATOM 90 C LYS A 9 11.500 1.777 8.296 1.00 0.00 C +ATOM 91 O LYS A 9 12.297 1.397 7.440 1.00 0.00 O +ATOM 92 CB LYS A 9 12.478 3.735 9.508 1.00 0.00 C +ATOM 93 CG LYS A 9 11.356 4.758 9.507 1.00 0.00 C +ATOM 94 CD LYS A 9 11.855 6.134 9.915 1.00 0.00 C +ATOM 95 CE LYS A 9 10.960 7.236 9.369 1.00 0.00 C +ATOM 96 NZ LYS A 9 11.414 8.586 9.805 1.00 0.00 N +ATOM 97 H LYS A 9 13.597 0.915 9.542 1.00 0.00 H +ATOM 98 HA LYS A 9 11.172 2.262 10.349 1.00 0.00 H +ATOM 99 HB2 LYS A 9 13.141 3.959 10.331 1.00 0.00 H +ATOM 100 HB3 LYS A 9 13.025 3.830 8.581 1.00 0.00 H +ATOM 101 HG2 LYS A 9 10.937 4.819 8.514 1.00 0.00 H +ATOM 102 HG3 LYS A 9 10.592 4.441 10.203 1.00 0.00 H +ATOM 103 HD2 LYS A 9 11.868 6.198 10.993 1.00 0.00 H +ATOM 104 HD3 LYS A 9 12.856 6.272 9.532 1.00 0.00 H +ATOM 105 HE2 LYS A 9 10.974 7.192 8.291 1.00 0.00 H +ATOM 106 HE3 LYS A 9 9.953 7.072 9.722 1.00 0.00 H +ATOM 107 HZ1 LYS A 9 11.097 8.772 10.778 1.00 0.00 H +ATOM 108 HZ2 LYS A 9 11.018 9.315 9.177 1.00 0.00 H +ATOM 109 HZ3 LYS A 9 12.451 8.642 9.772 1.00 0.00 H +ATOM 110 N ASN A 10 10.184 1.772 8.114 1.00 0.00 N +ATOM 111 CA ASN A 10 9.587 1.306 6.867 1.00 0.00 C +ATOM 112 C ASN A 10 9.056 2.478 6.047 1.00 0.00 C +ATOM 113 O ASN A 10 8.588 3.482 6.584 1.00 0.00 O +ATOM 114 CB ASN A 10 8.455 0.317 7.157 1.00 0.00 C +ATOM 115 CG ASN A 10 8.942 -0.921 7.884 1.00 0.00 C +ATOM 116 OD1 ASN A 10 9.540 -0.831 8.956 1.00 0.00 O +ATOM 117 ND2 ASN A 10 8.688 -2.087 7.302 1.00 0.00 N +ATOM 118 H ASN A 10 9.599 2.087 8.835 1.00 0.00 H +ATOM 119 HA ASN A 10 10.355 0.803 6.300 1.00 0.00 H +ATOM 120 HB2 ASN A 10 7.711 0.802 7.772 1.00 0.00 H +ATOM 121 HB3 ASN A 10 8.004 0.012 6.225 1.00 0.00 H +ATOM 122 HD21 ASN A 10 8.207 -2.083 6.447 1.00 0.00 H +ATOM 123 HD22 ASN A 10 8.990 -2.904 7.750 1.00 0.00 H +ATOM 124 N PRO A 11 9.128 2.348 4.714 1.00 0.00 N +ATOM 125 CA PRO A 11 8.658 3.385 3.791 1.00 0.00 C +ATOM 126 C PRO A 11 7.139 3.519 3.794 1.00 0.00 C +ATOM 127 O PRO A 11 6.588 4.462 3.226 1.00 0.00 O +ATOM 128 CB PRO A 11 9.149 2.895 2.427 1.00 0.00 C +ATOM 129 CG PRO A 11 9.270 1.418 2.576 1.00 0.00 C +ATOM 130 CD PRO A 11 9.673 1.178 4.005 1.00 0.00 C +ATOM 131 HA PRO A 11 9.103 4.344 4.013 1.00 0.00 H +ATOM 132 HB2 PRO A 11 8.427 3.158 1.666 1.00 0.00 H +ATOM 133 HB3 PRO A 11 10.102 3.348 2.199 1.00 0.00 H +ATOM 134 HG2 PRO A 11 8.320 0.948 2.371 1.00 0.00 H +ATOM 135 HG3 PRO A 11 10.029 1.042 1.906 1.00 0.00 H +ATOM 136 HD2 PRO A 11 9.231 0.264 4.374 1.00 0.00 H +ATOM 137 HD3 PRO A 11 10.749 1.142 4.093 1.00 0.00 H +ATOM 138 N CYS A 12 6.467 2.571 4.438 1.00 0.00 N +ATOM 139 CA CYS A 12 5.011 2.582 4.515 1.00 0.00 C +ATOM 140 C CYS A 12 4.518 3.794 5.301 1.00 0.00 C +ATOM 141 O CYS A 12 3.400 4.265 5.098 1.00 0.00 O +ATOM 142 CB CYS A 12 4.504 1.295 5.169 1.00 0.00 C +ATOM 143 SG CYS A 12 4.311 -0.100 4.014 1.00 0.00 S +ATOM 144 H CYS A 12 6.963 1.844 4.872 1.00 0.00 H +ATOM 145 HA CYS A 12 4.626 2.640 3.509 1.00 0.00 H +ATOM 146 HB2 CYS A 12 5.202 0.991 5.936 1.00 0.00 H +ATOM 147 HB3 CYS A 12 3.542 1.485 5.621 1.00 0.00 H +ATOM 148 N ASN A 13 5.361 4.292 6.200 1.00 0.00 N +ATOM 149 CA ASN A 13 5.011 5.449 7.017 1.00 0.00 C +ATOM 150 C ASN A 13 6.074 6.537 6.902 1.00 0.00 C +ATOM 151 O ASN A 13 6.087 7.490 7.681 1.00 0.00 O +ATOM 152 CB ASN A 13 4.845 5.034 8.480 1.00 0.00 C +ATOM 153 CG ASN A 13 6.140 4.531 9.089 1.00 0.00 C +ATOM 154 OD1 ASN A 13 6.760 5.212 9.906 1.00 0.00 O +ATOM 155 ND2 ASN A 13 6.555 3.334 8.691 1.00 0.00 N +ATOM 156 H ASN A 13 6.239 3.873 6.316 1.00 0.00 H +ATOM 157 HA ASN A 13 4.072 5.839 6.654 1.00 0.00 H +ATOM 158 HB2 ASN A 13 4.508 5.885 9.053 1.00 0.00 H +ATOM 159 HB3 ASN A 13 4.109 4.247 8.544 1.00 0.00 H +ATOM 160 HD21 ASN A 13 6.010 2.848 8.037 1.00 0.00 H +ATOM 161 HD22 ASN A 13 7.388 2.984 9.070 1.00 0.00 H +ATOM 162 N ALA A 14 6.963 6.388 5.926 1.00 0.00 N +ATOM 163 CA ALA A 14 8.028 7.359 5.708 1.00 0.00 C +ATOM 164 C ALA A 14 7.762 8.194 4.460 1.00 0.00 C +ATOM 165 O ALA A 14 7.813 9.423 4.502 1.00 0.00 O +ATOM 166 CB ALA A 14 9.371 6.653 5.596 1.00 0.00 C +ATOM 167 H ALA A 14 6.901 5.607 5.338 1.00 0.00 H +ATOM 168 HA ALA A 14 8.064 8.014 6.566 1.00 0.00 H +ATOM 169 HB1 ALA A 14 9.683 6.636 4.562 1.00 0.00 H +ATOM 170 HB2 ALA A 14 10.106 7.182 6.185 1.00 0.00 H +ATOM 171 HB3 ALA A 14 9.277 5.641 5.961 1.00 0.00 H +ATOM 172 N GLU A 15 7.479 7.519 3.350 1.00 0.00 N +ATOM 173 CA GLU A 15 7.207 8.200 2.090 1.00 0.00 C +ATOM 174 C GLU A 15 5.882 7.733 1.494 1.00 0.00 C +ATOM 175 O GLU A 15 5.151 8.516 0.888 1.00 0.00 O +ATOM 176 CB GLU A 15 8.343 7.953 1.095 1.00 0.00 C +ATOM 177 CG GLU A 15 8.225 8.772 -0.179 1.00 0.00 C +ATOM 178 CD GLU A 15 9.534 8.860 -0.939 1.00 0.00 C +ATOM 179 OE1 GLU A 15 10.600 8.759 -0.296 1.00 0.00 O +ATOM 180 OE2 GLU A 15 9.493 9.030 -2.175 1.00 0.00 O +ATOM 181 H GLU A 15 7.454 6.540 3.380 1.00 0.00 H +ATOM 182 HA GLU A 15 7.143 9.259 2.293 1.00 0.00 H +ATOM 183 HB2 GLU A 15 9.281 8.196 1.570 1.00 0.00 H +ATOM 184 HB3 GLU A 15 8.347 6.907 0.826 1.00 0.00 H +ATOM 185 HG2 GLU A 15 7.485 8.315 -0.819 1.00 0.00 H +ATOM 186 HG3 GLU A 15 7.908 9.772 0.079 1.00 0.00 H +ATOM 187 N PHE A 16 5.581 6.451 1.670 1.00 0.00 N +ATOM 188 CA PHE A 16 4.346 5.877 1.148 1.00 0.00 C +ATOM 189 C PHE A 16 3.223 5.978 2.176 1.00 0.00 C +ATOM 190 O PHE A 16 2.219 5.273 2.084 1.00 0.00 O +ATOM 191 CB PHE A 16 4.564 4.414 0.756 1.00 0.00 C +ATOM 192 CG PHE A 16 5.538 4.235 -0.373 1.00 0.00 C +ATOM 193 CD1 PHE A 16 6.898 4.400 -0.165 1.00 0.00 C +ATOM 194 CD2 PHE A 16 5.094 3.901 -1.642 1.00 0.00 C +ATOM 195 CE1 PHE A 16 7.796 4.236 -1.202 1.00 0.00 C +ATOM 196 CE2 PHE A 16 5.988 3.735 -2.683 1.00 0.00 C +ATOM 197 CZ PHE A 16 7.341 3.902 -2.463 1.00 0.00 C +ATOM 198 H PHE A 16 6.205 5.876 2.161 1.00 0.00 H +ATOM 199 HA PHE A 16 4.066 6.439 0.270 1.00 0.00 H +ATOM 200 HB2 PHE A 16 4.942 3.873 1.610 1.00 0.00 H +ATOM 201 HB3 PHE A 16 3.620 3.986 0.453 1.00 0.00 H +ATOM 202 HD1 PHE A 16 7.256 4.660 0.821 1.00 0.00 H +ATOM 203 HD2 PHE A 16 4.035 3.769 -1.816 1.00 0.00 H +ATOM 204 HE1 PHE A 16 8.854 4.367 -1.027 1.00 0.00 H +ATOM 205 HE2 PHE A 16 5.628 3.474 -3.668 1.00 0.00 H +ATOM 206 HZ PHE A 16 8.041 3.774 -3.275 1.00 0.00 H +ATOM 207 N GLN A 17 3.402 6.860 3.154 1.00 0.00 N +ATOM 208 CA GLN A 17 2.404 7.053 4.201 1.00 0.00 C +ATOM 209 C GLN A 17 1.073 7.499 3.607 1.00 0.00 C +ATOM 210 O GLN A 17 0.008 7.169 4.128 1.00 0.00 O +ATOM 211 CB GLN A 17 2.895 8.084 5.218 1.00 0.00 C +ATOM 212 CG GLN A 17 2.761 9.521 4.741 1.00 0.00 C +ATOM 213 CD GLN A 17 3.643 10.479 5.517 1.00 0.00 C +ATOM 214 OE1 GLN A 17 4.585 11.054 4.972 1.00 0.00 O +ATOM 215 NE2 GLN A 17 3.342 10.655 6.799 1.00 0.00 N +ATOM 216 H GLN A 17 4.223 7.393 3.173 1.00 0.00 H +ATOM 217 HA GLN A 17 2.262 6.107 4.701 1.00 0.00 H +ATOM 218 HB2 GLN A 17 2.323 7.974 6.128 1.00 0.00 H +ATOM 219 HB3 GLN A 17 3.936 7.894 5.432 1.00 0.00 H +ATOM 220 HG2 GLN A 17 3.037 9.568 3.698 1.00 0.00 H +ATOM 221 HG3 GLN A 17 1.732 9.830 4.854 1.00 0.00 H +ATOM 222 HE21 GLN A 17 2.578 10.162 7.166 1.00 0.00 H +ATOM 223 HE22 GLN A 17 3.896 11.267 7.324 1.00 0.00 H +ATOM 224 N ASN A 18 1.140 8.253 2.515 1.00 0.00 N +ATOM 225 CA ASN A 18 -0.061 8.747 1.851 1.00 0.00 C +ATOM 226 C ASN A 18 -0.504 7.791 0.747 1.00 0.00 C +ATOM 227 O ASN A 18 -1.161 8.195 -0.212 1.00 0.00 O +ATOM 228 CB ASN A 18 0.189 10.138 1.266 1.00 0.00 C +ATOM 229 CG ASN A 18 1.126 10.104 0.074 1.00 0.00 C +ATOM 230 OD1 ASN A 18 1.898 9.160 -0.096 1.00 0.00 O +ATOM 231 ND2 ASN A 18 1.062 11.136 -0.759 1.00 0.00 N +ATOM 232 H ASN A 18 2.019 8.484 2.146 1.00 0.00 H +ATOM 233 HA ASN A 18 -0.845 8.813 2.590 1.00 0.00 H +ATOM 234 HB2 ASN A 18 -0.752 10.563 0.947 1.00 0.00 H +ATOM 235 HB3 ASN A 18 0.626 10.769 2.026 1.00 0.00 H +ATOM 236 HD21 ASN A 18 0.422 11.852 -0.561 1.00 0.00 H +ATOM 237 HD22 ASN A 18 1.656 11.140 -1.539 1.00 0.00 H +ATOM 238 N PHE A 19 -0.140 6.521 0.891 1.00 0.00 N +ATOM 239 CA PHE A 19 -0.500 5.507 -0.093 1.00 0.00 C +ATOM 240 C PHE A 19 -1.615 4.608 0.434 1.00 0.00 C +ATOM 241 O PHE A 19 -2.726 4.601 -0.097 1.00 0.00 O +ATOM 242 CB PHE A 19 0.723 4.662 -0.456 1.00 0.00 C +ATOM 243 CG PHE A 19 0.593 3.954 -1.775 1.00 0.00 C +ATOM 244 CD1 PHE A 19 -0.505 3.152 -2.040 1.00 0.00 C +ATOM 245 CD2 PHE A 19 1.568 4.092 -2.749 1.00 0.00 C +ATOM 246 CE1 PHE A 19 -0.627 2.499 -3.252 1.00 0.00 C +ATOM 247 CE2 PHE A 19 1.452 3.442 -3.964 1.00 0.00 C +ATOM 248 CZ PHE A 19 0.352 2.646 -4.216 1.00 0.00 C +ATOM 249 H PHE A 19 0.383 6.260 1.678 1.00 0.00 H +ATOM 250 HA PHE A 19 -0.851 6.015 -0.978 1.00 0.00 H +ATOM 251 HB2 PHE A 19 1.591 5.301 -0.508 1.00 0.00 H +ATOM 252 HB3 PHE A 19 0.876 3.916 0.309 1.00 0.00 H +ATOM 253 HD1 PHE A 19 -1.272 3.037 -1.288 1.00 0.00 H +ATOM 254 HD2 PHE A 19 2.429 4.716 -2.553 1.00 0.00 H +ATOM 255 HE1 PHE A 19 -1.487 1.877 -3.447 1.00 0.00 H +ATOM 256 HE2 PHE A 19 2.219 3.559 -4.715 1.00 0.00 H +ATOM 257 HZ PHE A 19 0.260 2.137 -5.163 1.00 0.00 H +ATOM 258 N CYS A 20 -1.310 3.851 1.482 1.00 0.00 N +ATOM 259 CA CYS A 20 -2.284 2.947 2.082 1.00 0.00 C +ATOM 260 C CYS A 20 -3.304 3.720 2.913 1.00 0.00 C +ATOM 261 O CYS A 20 -3.114 3.927 4.112 1.00 0.00 O +ATOM 262 CB CYS A 20 -1.577 1.910 2.958 1.00 0.00 C +ATOM 263 SG CYS A 20 0.019 1.339 2.292 1.00 0.00 S +ATOM 264 H CYS A 20 -0.407 3.901 1.862 1.00 0.00 H +ATOM 265 HA CYS A 20 -2.801 2.438 1.283 1.00 0.00 H +ATOM 266 HB2 CYS A 20 -1.391 2.340 3.932 1.00 0.00 H +ATOM 267 HB3 CYS A 20 -2.216 1.047 3.068 1.00 0.00 H +ATOM 268 N ILE A 21 -4.385 4.144 2.267 1.00 0.00 N +ATOM 269 CA ILE A 21 -5.435 4.893 2.947 1.00 0.00 C +ATOM 270 C ILE A 21 -6.099 4.050 4.030 1.00 0.00 C +ATOM 271 O ILE A 21 -6.046 4.387 5.213 1.00 0.00 O +ATOM 272 CB ILE A 21 -6.512 5.376 1.957 1.00 0.00 C +ATOM 273 CG1 ILE A 21 -5.884 6.263 0.879 1.00 0.00 C +ATOM 274 CG2 ILE A 21 -7.610 6.127 2.695 1.00 0.00 C +ATOM 275 CD1 ILE A 21 -6.781 6.485 -0.318 1.00 0.00 C +ATOM 276 H ILE A 21 -4.479 3.948 1.312 1.00 0.00 H +ATOM 277 HA ILE A 21 -4.982 5.759 3.406 1.00 0.00 H +ATOM 278 HB ILE A 21 -6.953 4.510 1.488 1.00 0.00 H +ATOM 279 HG12 ILE A 21 -5.654 7.227 1.304 1.00 0.00 H +ATOM 280 HG13 ILE A 21 -4.972 5.801 0.531 1.00 0.00 H +ATOM 281 HG21 ILE A 21 -7.731 5.709 3.683 1.00 0.00 H +ATOM 282 HG22 ILE A 21 -7.341 7.169 2.776 1.00 0.00 H +ATOM 283 HG23 ILE A 21 -8.537 6.036 2.149 1.00 0.00 H +ATOM 284 HD11 ILE A 21 -6.431 5.885 -1.146 1.00 0.00 H +ATOM 285 HD12 ILE A 21 -7.792 6.199 -0.069 1.00 0.00 H +ATOM 286 HD13 ILE A 21 -6.759 7.528 -0.596 1.00 0.00 H +ATOM 287 N HIS A 22 -6.722 2.950 3.618 1.00 0.00 N +ATOM 288 CA HIS A 22 -7.394 2.056 4.554 1.00 0.00 C +ATOM 289 C HIS A 22 -6.948 0.612 4.342 1.00 0.00 C +ATOM 290 O HIS A 22 -7.524 -0.113 3.533 1.00 0.00 O +ATOM 291 CB HIS A 22 -8.911 2.162 4.394 1.00 0.00 C +ATOM 292 CG HIS A 22 -9.439 3.548 4.606 1.00 0.00 C +ATOM 293 ND1 HIS A 22 -9.208 4.275 5.754 1.00 0.00 N +ATOM 294 CD2 HIS A 22 -10.191 4.340 3.806 1.00 0.00 C +ATOM 295 CE1 HIS A 22 -9.796 5.453 5.653 1.00 0.00 C +ATOM 296 NE2 HIS A 22 -10.399 5.518 4.480 1.00 0.00 N +ATOM 297 H HIS A 22 -6.729 2.735 2.663 1.00 0.00 H +ATOM 298 HA HIS A 22 -7.124 2.360 5.555 1.00 0.00 H +ATOM 299 HB2 HIS A 22 -9.183 1.853 3.396 1.00 0.00 H +ATOM 300 HB3 HIS A 22 -9.389 1.511 5.112 1.00 0.00 H +ATOM 301 HD1 HIS A 22 -8.691 3.971 6.529 1.00 0.00 H +ATOM 302 HD2 HIS A 22 -10.560 4.092 2.821 1.00 0.00 H +ATOM 303 HE1 HIS A 22 -9.785 6.232 6.401 1.00 0.00 H +ATOM 304 HE2 HIS A 22 -10.981 6.249 4.184 1.00 0.00 H +ATOM 305 N GLY A 23 -5.917 0.202 5.076 1.00 0.00 N +ATOM 306 CA GLY A 23 -5.412 -1.152 4.952 1.00 0.00 C +ATOM 307 C GLY A 23 -4.060 -1.329 5.615 1.00 0.00 C +ATOM 308 O GLY A 23 -3.416 -0.352 5.995 1.00 0.00 O +ATOM 309 H GLY A 23 -5.497 0.825 5.705 1.00 0.00 H +ATOM 310 HA2 GLY A 23 -6.116 -1.831 5.409 1.00 0.00 H +ATOM 311 HA3 GLY A 23 -5.320 -1.396 3.904 1.00 0.00 H +ATOM 312 N GLU A 24 -3.629 -2.579 5.754 1.00 0.00 N +ATOM 313 CA GLU A 24 -2.346 -2.879 6.378 1.00 0.00 C +ATOM 314 C GLU A 24 -1.211 -2.779 5.363 1.00 0.00 C +ATOM 315 O GLU A 24 -1.251 -3.408 4.305 1.00 0.00 O +ATOM 316 CB GLU A 24 -2.370 -4.279 6.997 1.00 0.00 C +ATOM 317 CG GLU A 24 -1.305 -4.492 8.060 1.00 0.00 C +ATOM 318 CD GLU A 24 -0.988 -5.958 8.281 1.00 0.00 C +ATOM 319 OE1 GLU A 24 -0.337 -6.564 7.404 1.00 0.00 O +ATOM 320 OE2 GLU A 24 -1.390 -6.500 9.332 1.00 0.00 O +ATOM 321 H GLU A 24 -4.188 -3.316 5.431 1.00 0.00 H +ATOM 322 HA GLU A 24 -2.179 -2.154 7.159 1.00 0.00 H +ATOM 323 HB2 GLU A 24 -3.337 -4.444 7.447 1.00 0.00 H +ATOM 324 HB3 GLU A 24 -2.218 -5.007 6.214 1.00 0.00 H +ATOM 325 HG2 GLU A 24 -0.402 -3.987 7.753 1.00 0.00 H +ATOM 326 HG3 GLU A 24 -1.654 -4.070 8.990 1.00 0.00 H +ATOM 327 N CYS A 25 -0.199 -1.983 5.693 1.00 0.00 N +ATOM 328 CA CYS A 25 0.947 -1.798 4.812 1.00 0.00 C +ATOM 329 C CYS A 25 2.103 -2.704 5.225 1.00 0.00 C +ATOM 330 O CYS A 25 2.402 -2.846 6.411 1.00 0.00 O +ATOM 331 CB CYS A 25 1.399 -0.336 4.828 1.00 0.00 C +ATOM 332 SG CYS A 25 2.377 0.156 3.372 1.00 0.00 S +ATOM 333 H CYS A 25 -0.224 -1.508 6.550 1.00 0.00 H +ATOM 334 HA CYS A 25 0.642 -2.060 3.810 1.00 0.00 H +ATOM 335 HB2 CYS A 25 0.528 0.301 4.868 1.00 0.00 H +ATOM 336 HB3 CYS A 25 2.005 -0.165 5.705 1.00 0.00 H +ATOM 337 N LYS A 26 2.751 -3.315 4.239 1.00 0.00 N +ATOM 338 CA LYS A 26 3.876 -4.206 4.498 1.00 0.00 C +ATOM 339 C LYS A 26 4.963 -4.031 3.443 1.00 0.00 C +ATOM 340 O LYS A 26 4.806 -4.460 2.299 1.00 0.00 O +ATOM 341 CB LYS A 26 3.404 -5.661 4.524 1.00 0.00 C +ATOM 342 CG LYS A 26 4.415 -6.617 5.134 1.00 0.00 C +ATOM 343 CD LYS A 26 4.429 -6.522 6.650 1.00 0.00 C +ATOM 344 CE LYS A 26 5.676 -7.164 7.238 1.00 0.00 C +ATOM 345 NZ LYS A 26 6.856 -6.260 7.156 1.00 0.00 N +ATOM 346 H LYS A 26 2.466 -3.161 3.313 1.00 0.00 H +ATOM 347 HA LYS A 26 4.285 -3.951 5.464 1.00 0.00 H +ATOM 348 HB2 LYS A 26 2.491 -5.721 5.099 1.00 0.00 H +ATOM 349 HB3 LYS A 26 3.204 -5.980 3.512 1.00 0.00 H +ATOM 350 HG2 LYS A 26 4.159 -7.627 4.850 1.00 0.00 H +ATOM 351 HG3 LYS A 26 5.399 -6.374 4.758 1.00 0.00 H +ATOM 352 HD2 LYS A 26 4.404 -5.482 6.937 1.00 0.00 H +ATOM 353 HD3 LYS A 26 3.556 -7.027 7.042 1.00 0.00 H +ATOM 354 HE2 LYS A 26 5.488 -7.404 8.273 1.00 0.00 H +ATOM 355 HE3 LYS A 26 5.890 -8.071 6.691 1.00 0.00 H +ATOM 356 HZ1 LYS A 26 7.732 -6.818 7.104 1.00 0.00 H +ATOM 357 HZ2 LYS A 26 6.897 -5.649 7.997 1.00 0.00 H +ATOM 358 HZ3 LYS A 26 6.789 -5.660 6.309 1.00 0.00 H +ATOM 359 N TYR A 27 6.065 -3.401 3.834 1.00 0.00 N +ATOM 360 CA TYR A 27 7.178 -3.169 2.920 1.00 0.00 C +ATOM 361 C TYR A 27 7.928 -4.467 2.636 1.00 0.00 C +ATOM 362 O TYR A 27 8.391 -5.143 3.555 1.00 0.00 O +ATOM 363 CB TYR A 27 8.136 -2.130 3.504 1.00 0.00 C +ATOM 364 CG TYR A 27 9.397 -1.944 2.690 1.00 0.00 C +ATOM 365 CD1 TYR A 27 9.346 -1.433 1.400 1.00 0.00 C +ATOM 366 CD2 TYR A 27 10.640 -2.280 3.213 1.00 0.00 C +ATOM 367 CE1 TYR A 27 10.495 -1.262 0.653 1.00 0.00 C +ATOM 368 CE2 TYR A 27 11.795 -2.112 2.474 1.00 0.00 C +ATOM 369 CZ TYR A 27 11.717 -1.603 1.194 1.00 0.00 C +ATOM 370 OH TYR A 27 12.864 -1.434 0.454 1.00 0.00 O +ATOM 371 H TYR A 27 6.131 -3.082 4.758 1.00 0.00 H +ATOM 372 HA TYR A 27 6.773 -2.790 1.993 1.00 0.00 H +ATOM 373 HB2 TYR A 27 7.633 -1.176 3.558 1.00 0.00 H +ATOM 374 HB3 TYR A 27 8.425 -2.436 4.499 1.00 0.00 H +ATOM 375 HD1 TYR A 27 8.387 -1.166 0.979 1.00 0.00 H +ATOM 376 HD2 TYR A 27 10.697 -2.679 4.216 1.00 0.00 H +ATOM 377 HE1 TYR A 27 10.434 -0.864 -0.349 1.00 0.00 H +ATOM 378 HE2 TYR A 27 12.752 -2.379 2.897 1.00 0.00 H +ATOM 379 HH TYR A 27 13.140 -0.515 0.496 1.00 0.00 H +ATOM 380 N ILE A 28 8.044 -4.807 1.357 1.00 0.00 N +ATOM 381 CA ILE A 28 8.740 -6.022 0.950 1.00 0.00 C +ATOM 382 C ILE A 28 10.232 -5.766 0.766 1.00 0.00 C +ATOM 383 O ILE A 28 10.630 -4.873 0.019 1.00 0.00 O +ATOM 384 CB ILE A 28 8.162 -6.590 -0.359 1.00 0.00 C +ATOM 385 CG1 ILE A 28 6.635 -6.490 -0.354 1.00 0.00 C +ATOM 386 CG2 ILE A 28 8.603 -8.033 -0.551 1.00 0.00 C +ATOM 387 CD1 ILE A 28 5.979 -7.322 0.725 1.00 0.00 C +ATOM 388 H ILE A 28 7.654 -4.227 0.671 1.00 0.00 H +ATOM 389 HA ILE A 28 8.606 -6.759 1.729 1.00 0.00 H +ATOM 390 HB ILE A 28 8.551 -6.008 -1.181 1.00 0.00 H +ATOM 391 HG12 ILE A 28 6.348 -5.462 -0.200 1.00 0.00 H +ATOM 392 HG13 ILE A 28 6.257 -6.826 -1.309 1.00 0.00 H +ATOM 393 HG21 ILE A 28 8.359 -8.605 0.333 1.00 0.00 H +ATOM 394 HG22 ILE A 28 8.093 -8.455 -1.404 1.00 0.00 H +ATOM 395 HG23 ILE A 28 9.669 -8.065 -0.716 1.00 0.00 H +ATOM 396 HD11 ILE A 28 5.927 -8.353 0.404 1.00 0.00 H +ATOM 397 HD12 ILE A 28 6.560 -7.259 1.633 1.00 0.00 H +ATOM 398 HD13 ILE A 28 4.981 -6.953 0.909 1.00 0.00 H +ATOM 399 N GLU A 29 11.052 -6.557 1.451 1.00 0.00 N +ATOM 400 CA GLU A 29 12.500 -6.415 1.361 1.00 0.00 C +ATOM 401 C GLU A 29 13.053 -7.213 0.183 1.00 0.00 C +ATOM 402 O GLU A 29 13.689 -6.658 -0.714 1.00 0.00 O +ATOM 403 CB GLU A 29 13.162 -6.879 2.660 1.00 0.00 C +ATOM 404 CG GLU A 29 14.470 -6.169 2.964 1.00 0.00 C +ATOM 405 CD GLU A 29 15.648 -6.775 2.226 1.00 0.00 C +ATOM 406 OE1 GLU A 29 15.941 -7.967 2.455 1.00 0.00 O +ATOM 407 OE2 GLU A 29 16.276 -6.057 1.420 1.00 0.00 O +ATOM 408 H GLU A 29 10.674 -7.251 2.030 1.00 0.00 H +ATOM 409 HA GLU A 29 12.723 -5.370 1.208 1.00 0.00 H +ATOM 410 HB2 GLU A 29 12.481 -6.703 3.480 1.00 0.00 H +ATOM 411 HB3 GLU A 29 13.360 -7.939 2.590 1.00 0.00 H +ATOM 412 HG2 GLU A 29 14.378 -5.133 2.675 1.00 0.00 H +ATOM 413 HG3 GLU A 29 14.660 -6.230 4.026 1.00 0.00 H +ATOM 414 N HIS A 30 12.805 -8.519 0.192 1.00 0.00 N +ATOM 415 CA HIS A 30 13.277 -9.394 -0.876 1.00 0.00 C +ATOM 416 C HIS A 30 12.934 -8.815 -2.245 1.00 0.00 C +ATOM 417 O HIS A 30 13.545 -9.172 -3.253 1.00 0.00 O +ATOM 418 CB HIS A 30 12.664 -10.787 -0.730 1.00 0.00 C +ATOM 419 CG HIS A 30 11.280 -10.894 -1.291 1.00 0.00 C +ATOM 420 ND1 HIS A 30 10.157 -10.470 -0.611 1.00 0.00 N +ATOM 421 CD2 HIS A 30 10.840 -11.380 -2.475 1.00 0.00 C +ATOM 422 CE1 HIS A 30 9.087 -10.692 -1.352 1.00 0.00 C +ATOM 423 NE2 HIS A 30 9.473 -11.243 -2.489 1.00 0.00 N +ATOM 424 H HIS A 30 12.292 -8.903 0.933 1.00 0.00 H +ATOM 425 HA HIS A 30 14.350 -9.471 -0.790 1.00 0.00 H +ATOM 426 HB2 HIS A 30 13.287 -11.503 -1.246 1.00 0.00 H +ATOM 427 HB3 HIS A 30 12.620 -11.046 0.318 1.00 0.00 H +ATOM 428 HD1 HIS A 30 10.147 -10.068 0.282 1.00 0.00 H +ATOM 429 HD2 HIS A 30 11.449 -11.798 -3.264 1.00 0.00 H +ATOM 430 HE1 HIS A 30 8.068 -10.461 -1.077 1.00 0.00 H +ATOM 431 HE2 HIS A 30 8.873 -11.586 -3.182 1.00 0.00 H +ATOM 432 N LEU A 31 11.952 -7.920 -2.274 1.00 0.00 N +ATOM 433 CA LEU A 31 11.527 -7.292 -3.520 1.00 0.00 C +ATOM 434 C LEU A 31 11.708 -5.779 -3.456 1.00 0.00 C +ATOM 435 O LEU A 31 11.493 -5.076 -4.444 1.00 0.00 O +ATOM 436 CB LEU A 31 10.063 -7.630 -3.811 1.00 0.00 C +ATOM 437 CG LEU A 31 9.816 -8.910 -4.609 1.00 0.00 C +ATOM 438 CD1 LEU A 31 8.326 -9.201 -4.703 1.00 0.00 C +ATOM 439 CD2 LEU A 31 10.429 -8.800 -5.997 1.00 0.00 C +ATOM 440 H LEU A 31 11.503 -7.675 -1.439 1.00 0.00 H +ATOM 441 HA LEU A 31 12.143 -7.683 -4.316 1.00 0.00 H +ATOM 442 HB2 LEU A 31 9.552 -7.725 -2.865 1.00 0.00 H +ATOM 443 HB3 LEU A 31 9.638 -6.805 -4.366 1.00 0.00 H +ATOM 444 HG LEU A 31 10.285 -9.741 -4.099 1.00 0.00 H +ATOM 445 HD11 LEU A 31 8.072 -9.450 -5.723 1.00 0.00 H +ATOM 446 HD12 LEU A 31 7.769 -8.328 -4.396 1.00 0.00 H +ATOM 447 HD13 LEU A 31 8.079 -10.030 -4.057 1.00 0.00 H +ATOM 448 HD21 LEU A 31 11.105 -7.959 -6.026 1.00 0.00 H +ATOM 449 HD22 LEU A 31 9.645 -8.658 -6.726 1.00 0.00 H +ATOM 450 HD23 LEU A 31 10.971 -9.707 -6.224 1.00 0.00 H +ATOM 451 N GLU A 32 12.107 -5.284 -2.288 1.00 0.00 N +ATOM 452 CA GLU A 32 12.319 -3.854 -2.098 1.00 0.00 C +ATOM 453 C GLU A 32 11.161 -3.050 -2.682 1.00 0.00 C +ATOM 454 O GLU A 32 11.370 -2.043 -3.358 1.00 0.00 O +ATOM 455 CB GLU A 32 13.635 -3.419 -2.747 1.00 0.00 C +ATOM 456 CG GLU A 32 14.836 -4.230 -2.289 1.00 0.00 C +ATOM 457 CD GLU A 32 16.145 -3.689 -2.830 1.00 0.00 C +ATOM 458 OE1 GLU A 32 16.275 -3.580 -4.067 1.00 0.00 O +ATOM 459 OE2 GLU A 32 17.039 -3.375 -2.017 1.00 0.00 O +ATOM 460 H GLU A 32 12.262 -5.895 -1.538 1.00 0.00 H +ATOM 461 HA GLU A 32 12.373 -3.666 -1.036 1.00 0.00 H +ATOM 462 HB2 GLU A 32 13.544 -3.521 -3.818 1.00 0.00 H +ATOM 463 HB3 GLU A 32 13.815 -2.382 -2.506 1.00 0.00 H +ATOM 464 HG2 GLU A 32 14.876 -4.213 -1.210 1.00 0.00 H +ATOM 465 HG3 GLU A 32 14.717 -5.249 -2.628 1.00 0.00 H +ATOM 466 N ALA A 33 9.940 -3.503 -2.416 1.00 0.00 N +ATOM 467 CA ALA A 33 8.749 -2.826 -2.914 1.00 0.00 C +ATOM 468 C ALA A 33 7.675 -2.741 -1.835 1.00 0.00 C +ATOM 469 O ALA A 33 7.405 -3.717 -1.135 1.00 0.00 O +ATOM 470 CB ALA A 33 8.210 -3.542 -4.143 1.00 0.00 C +ATOM 471 H ALA A 33 9.838 -4.311 -1.871 1.00 0.00 H +ATOM 472 HA ALA A 33 9.032 -1.825 -3.206 1.00 0.00 H +ATOM 473 HB1 ALA A 33 7.279 -3.084 -4.445 1.00 0.00 H +ATOM 474 HB2 ALA A 33 8.926 -3.466 -4.947 1.00 0.00 H +ATOM 475 HB3 ALA A 33 8.040 -4.582 -3.908 1.00 0.00 H +ATOM 476 N VAL A 34 7.065 -1.567 -1.704 1.00 0.00 N +ATOM 477 CA VAL A 34 6.020 -1.355 -0.710 1.00 0.00 C +ATOM 478 C VAL A 34 4.647 -1.704 -1.273 1.00 0.00 C +ATOM 479 O VAL A 34 4.356 -1.439 -2.440 1.00 0.00 O +ATOM 480 CB VAL A 34 6.004 0.104 -0.215 1.00 0.00 C +ATOM 481 CG1 VAL A 34 5.789 1.060 -1.379 1.00 0.00 C +ATOM 482 CG2 VAL A 34 4.931 0.294 0.846 1.00 0.00 C +ATOM 483 H VAL A 34 7.324 -0.826 -2.291 1.00 0.00 H +ATOM 484 HA VAL A 34 6.226 -1.997 0.134 1.00 0.00 H +ATOM 485 HB VAL A 34 6.963 0.323 0.229 1.00 0.00 H +ATOM 486 HG11 VAL A 34 6.443 1.913 -1.268 1.00 0.00 H +ATOM 487 HG12 VAL A 34 6.009 0.554 -2.307 1.00 0.00 H +ATOM 488 HG13 VAL A 34 4.762 1.394 -1.385 1.00 0.00 H +ATOM 489 HG21 VAL A 34 5.388 0.634 1.764 1.00 0.00 H +ATOM 490 HG22 VAL A 34 4.215 1.028 0.507 1.00 0.00 H +ATOM 491 HG23 VAL A 34 4.427 -0.645 1.022 1.00 0.00 H +ATOM 492 N THR A 35 3.804 -2.301 -0.436 1.00 0.00 N +ATOM 493 CA THR A 35 2.461 -2.688 -0.850 1.00 0.00 C +ATOM 494 C THR A 35 1.430 -2.305 0.205 1.00 0.00 C +ATOM 495 O THR A 35 1.771 -2.064 1.364 1.00 0.00 O +ATOM 496 CB THR A 35 2.370 -4.202 -1.116 1.00 0.00 C +ATOM 497 OG1 THR A 35 1.102 -4.521 -1.700 1.00 0.00 O +ATOM 498 CG2 THR A 35 2.552 -4.990 0.173 1.00 0.00 C +ATOM 499 H THR A 35 4.094 -2.486 0.482 1.00 0.00 H +ATOM 500 HA THR A 35 2.233 -2.168 -1.768 1.00 0.00 H +ATOM 501 HB THR A 35 3.155 -4.480 -1.804 1.00 0.00 H +ATOM 502 HG1 THR A 35 0.903 -3.890 -2.396 1.00 0.00 H +ATOM 503 HG21 THR A 35 2.216 -4.395 1.009 1.00 0.00 H +ATOM 504 HG22 THR A 35 3.597 -5.234 0.301 1.00 0.00 H +ATOM 505 HG23 THR A 35 1.973 -5.900 0.123 1.00 0.00 H +ATOM 506 N CYS A 36 0.166 -2.252 -0.202 1.00 0.00 N +ATOM 507 CA CYS A 36 -0.917 -1.899 0.708 1.00 0.00 C +ATOM 508 C CYS A 36 -2.021 -2.953 0.675 1.00 0.00 C +ATOM 509 O CYS A 36 -2.748 -3.076 -0.311 1.00 0.00 O +ATOM 510 CB CYS A 36 -1.493 -0.530 0.342 1.00 0.00 C +ATOM 511 SG CYS A 36 -0.272 0.822 0.370 1.00 0.00 S +ATOM 512 H CYS A 36 -0.044 -2.455 -1.138 1.00 0.00 H +ATOM 513 HA CYS A 36 -0.510 -1.853 1.707 1.00 0.00 H +ATOM 514 HB2 CYS A 36 -1.907 -0.577 -0.655 1.00 0.00 H +ATOM 515 HB3 CYS A 36 -2.278 -0.279 1.041 1.00 0.00 H +ATOM 516 N LYS A 37 -2.140 -3.711 1.760 1.00 0.00 N +ATOM 517 CA LYS A 37 -3.154 -4.753 1.857 1.00 0.00 C +ATOM 518 C LYS A 37 -4.531 -4.150 2.115 1.00 0.00 C +ATOM 519 O LYS A 37 -4.696 -3.305 2.996 1.00 0.00 O +ATOM 520 CB LYS A 37 -2.800 -5.736 2.976 1.00 0.00 C +ATOM 521 CG LYS A 37 -1.685 -6.699 2.608 1.00 0.00 C +ATOM 522 CD LYS A 37 -2.230 -7.967 1.972 1.00 0.00 C +ATOM 523 CE LYS A 37 -2.803 -7.695 0.590 1.00 0.00 C +ATOM 524 NZ LYS A 37 -4.247 -7.335 0.649 1.00 0.00 N +ATOM 525 H LYS A 37 -1.530 -3.565 2.514 1.00 0.00 H +ATOM 526 HA LYS A 37 -3.177 -5.284 0.918 1.00 0.00 H +ATOM 527 HB2 LYS A 37 -2.491 -5.176 3.846 1.00 0.00 H +ATOM 528 HB3 LYS A 37 -3.679 -6.313 3.223 1.00 0.00 H +ATOM 529 HG2 LYS A 37 -1.020 -6.216 1.908 1.00 0.00 H +ATOM 530 HG3 LYS A 37 -1.139 -6.962 3.503 1.00 0.00 H +ATOM 531 HD2 LYS A 37 -1.431 -8.687 1.882 1.00 0.00 H +ATOM 532 HD3 LYS A 37 -3.010 -8.369 2.603 1.00 0.00 H +ATOM 533 HE2 LYS A 37 -2.256 -6.880 0.141 1.00 0.00 H +ATOM 534 HE3 LYS A 37 -2.686 -8.582 -0.015 1.00 0.00 H +ATOM 535 HZ1 LYS A 37 -4.824 -8.191 0.780 1.00 0.00 H +ATOM 536 HZ2 LYS A 37 -4.535 -6.869 -0.235 1.00 0.00 H +ATOM 537 HZ3 LYS A 37 -4.422 -6.687 1.442 1.00 0.00 H +ATOM 538 N CYS A 38 -5.519 -4.589 1.341 1.00 0.00 N +ATOM 539 CA CYS A 38 -6.882 -4.093 1.486 1.00 0.00 C +ATOM 540 C CYS A 38 -7.767 -5.127 2.176 1.00 0.00 C +ATOM 541 O CYS A 38 -7.822 -6.285 1.762 1.00 0.00 O +ATOM 542 CB CYS A 38 -7.466 -3.738 0.117 1.00 0.00 C +ATOM 543 SG CYS A 38 -6.295 -2.895 -0.996 1.00 0.00 S +ATOM 544 H CYS A 38 -5.326 -5.263 0.656 1.00 0.00 H +ATOM 545 HA CYS A 38 -6.849 -3.202 2.095 1.00 0.00 H +ATOM 546 HB2 CYS A 38 -7.789 -4.645 -0.374 1.00 0.00 H +ATOM 547 HB3 CYS A 38 -8.316 -3.087 0.254 1.00 0.00 H +ATOM 548 N GLN A 39 -8.457 -4.700 3.228 1.00 0.00 N +ATOM 549 CA GLN A 39 -9.338 -5.589 3.975 1.00 0.00 C +ATOM 550 C GLN A 39 -10.467 -6.107 3.090 1.00 0.00 C +ATOM 551 O GLN A 39 -10.517 -5.811 1.896 1.00 0.00 O +ATOM 552 CB GLN A 39 -9.919 -4.863 5.190 1.00 0.00 C +ATOM 553 CG GLN A 39 -8.972 -4.811 6.378 1.00 0.00 C +ATOM 554 CD GLN A 39 -8.620 -6.188 6.905 1.00 0.00 C +ATOM 555 OE1 GLN A 39 -7.563 -6.734 6.589 1.00 0.00 O +ATOM 556 NE2 GLN A 39 -9.507 -6.757 7.713 1.00 0.00 N +ATOM 557 H GLN A 39 -8.370 -3.766 3.509 1.00 0.00 H +ATOM 558 HA GLN A 39 -8.751 -6.428 4.316 1.00 0.00 H +ATOM 559 HB2 GLN A 39 -10.164 -3.850 4.906 1.00 0.00 H +ATOM 560 HB3 GLN A 39 -10.822 -5.369 5.499 1.00 0.00 H +ATOM 561 HG2 GLN A 39 -8.062 -4.315 6.075 1.00 0.00 H +ATOM 562 HG3 GLN A 39 -9.441 -4.247 7.171 1.00 0.00 H +ATOM 563 HE21 GLN A 39 -10.328 -6.263 7.920 1.00 0.00 H +ATOM 564 HE22 GLN A 39 -9.305 -7.647 8.068 1.00 0.00 H +ATOM 565 N GLN A 40 -11.369 -6.882 3.683 1.00 0.00 N +ATOM 566 CA GLN A 40 -12.496 -7.442 2.946 1.00 0.00 C +ATOM 567 C GLN A 40 -13.385 -6.336 2.388 1.00 0.00 C +ATOM 568 O GLN A 40 -13.851 -6.416 1.252 1.00 0.00 O +ATOM 569 CB GLN A 40 -13.316 -8.364 3.851 1.00 0.00 C +ATOM 570 CG GLN A 40 -14.396 -9.138 3.112 1.00 0.00 C +ATOM 571 CD GLN A 40 -15.691 -8.359 2.987 1.00 0.00 C +ATOM 572 OE1 GLN A 40 -15.949 -7.434 3.758 1.00 0.00 O +ATOM 573 NE2 GLN A 40 -16.512 -8.728 2.011 1.00 0.00 N +ATOM 574 H GLN A 40 -11.275 -7.082 4.637 1.00 0.00 H +ATOM 575 HA GLN A 40 -12.101 -8.019 2.124 1.00 0.00 H +ATOM 576 HB2 GLN A 40 -12.651 -9.073 4.319 1.00 0.00 H +ATOM 577 HB3 GLN A 40 -13.791 -7.768 4.616 1.00 0.00 H +ATOM 578 HG2 GLN A 40 -14.038 -9.373 2.120 1.00 0.00 H +ATOM 579 HG3 GLN A 40 -14.595 -10.054 3.648 1.00 0.00 H +ATOM 580 HE21 GLN A 40 -16.241 -9.475 1.436 1.00 0.00 H +ATOM 581 HE22 GLN A 40 -17.356 -8.243 1.908 1.00 0.00 H +ATOM 582 N GLU A 41 -13.616 -5.305 3.195 1.00 0.00 N +ATOM 583 CA GLU A 41 -14.450 -4.183 2.780 1.00 0.00 C +ATOM 584 C GLU A 41 -13.763 -3.367 1.689 1.00 0.00 C +ATOM 585 O GLU A 41 -14.392 -2.966 0.709 1.00 0.00 O +ATOM 586 CB GLU A 41 -14.769 -3.286 3.978 1.00 0.00 C +ATOM 587 CG GLU A 41 -15.362 -4.036 5.159 1.00 0.00 C +ATOM 588 CD GLU A 41 -15.973 -3.108 6.192 1.00 0.00 C +ATOM 589 OE1 GLU A 41 -17.159 -2.749 6.040 1.00 0.00 O +ATOM 590 OE2 GLU A 41 -15.263 -2.742 7.152 1.00 0.00 O +ATOM 591 H GLU A 41 -13.216 -5.298 4.089 1.00 0.00 H +ATOM 592 HA GLU A 41 -15.372 -4.583 2.386 1.00 0.00 H +ATOM 593 HB2 GLU A 41 -13.860 -2.803 4.303 1.00 0.00 H +ATOM 594 HB3 GLU A 41 -15.476 -2.530 3.667 1.00 0.00 H +ATOM 595 HG2 GLU A 41 -16.131 -4.702 4.797 1.00 0.00 H +ATOM 596 HG3 GLU A 41 -14.581 -4.612 5.632 1.00 0.00 H +ATOM 597 N TYR A 42 -12.469 -3.126 1.866 1.00 0.00 N +ATOM 598 CA TYR A 42 -11.696 -2.356 0.899 1.00 0.00 C +ATOM 599 C TYR A 42 -11.123 -3.262 -0.187 1.00 0.00 C +ATOM 600 O TYR A 42 -11.134 -4.487 -0.059 1.00 0.00 O +ATOM 601 CB TYR A 42 -10.563 -1.605 1.601 1.00 0.00 C +ATOM 602 CG TYR A 42 -11.043 -0.632 2.654 1.00 0.00 C +ATOM 603 CD1 TYR A 42 -11.373 0.676 2.321 1.00 0.00 C +ATOM 604 CD2 TYR A 42 -11.168 -1.021 3.982 1.00 0.00 C +ATOM 605 CE1 TYR A 42 -11.811 1.569 3.280 1.00 0.00 C +ATOM 606 CE2 TYR A 42 -11.608 -0.135 4.948 1.00 0.00 C +ATOM 607 CZ TYR A 42 -11.927 1.158 4.592 1.00 0.00 C +ATOM 608 OH TYR A 42 -12.365 2.044 5.549 1.00 0.00 O +ATOM 609 H TYR A 42 -12.023 -3.472 2.667 1.00 0.00 H +ATOM 610 HA TYR A 42 -12.359 -1.638 0.440 1.00 0.00 H +ATOM 611 HB2 TYR A 42 -9.912 -2.318 2.083 1.00 0.00 H +ATOM 612 HB3 TYR A 42 -9.999 -1.048 0.867 1.00 0.00 H +ATOM 613 HD1 TYR A 42 -11.282 0.994 1.292 1.00 0.00 H +ATOM 614 HD2 TYR A 42 -10.917 -2.035 4.258 1.00 0.00 H +ATOM 615 HE1 TYR A 42 -12.062 2.582 3.001 1.00 0.00 H +ATOM 616 HE2 TYR A 42 -11.698 -0.456 5.975 1.00 0.00 H +ATOM 617 HH TYR A 42 -11.626 2.575 5.856 1.00 0.00 H +ATOM 618 N PHE A 43 -10.624 -2.651 -1.256 1.00 0.00 N +ATOM 619 CA PHE A 43 -10.047 -3.401 -2.365 1.00 0.00 C +ATOM 620 C PHE A 43 -9.158 -2.506 -3.223 1.00 0.00 C +ATOM 621 O PHE A 43 -9.077 -1.298 -3.003 1.00 0.00 O +ATOM 622 CB PHE A 43 -11.154 -4.014 -3.225 1.00 0.00 C +ATOM 623 CG PHE A 43 -12.319 -3.092 -3.449 1.00 0.00 C +ATOM 624 CD1 PHE A 43 -13.276 -2.913 -2.463 1.00 0.00 C +ATOM 625 CD2 PHE A 43 -12.456 -2.405 -4.644 1.00 0.00 C +ATOM 626 CE1 PHE A 43 -14.349 -2.066 -2.667 1.00 0.00 C +ATOM 627 CE2 PHE A 43 -13.526 -1.557 -4.853 1.00 0.00 C +ATOM 628 CZ PHE A 43 -14.474 -1.386 -3.863 1.00 0.00 C +ATOM 629 H PHE A 43 -10.644 -1.672 -1.300 1.00 0.00 H +ATOM 630 HA PHE A 43 -9.444 -4.194 -1.950 1.00 0.00 H +ATOM 631 HB2 PHE A 43 -10.748 -4.275 -4.190 1.00 0.00 H +ATOM 632 HB3 PHE A 43 -11.523 -4.906 -2.741 1.00 0.00 H +ATOM 633 HD1 PHE A 43 -13.180 -3.443 -1.527 1.00 0.00 H +ATOM 634 HD2 PHE A 43 -11.714 -2.538 -5.420 1.00 0.00 H +ATOM 635 HE1 PHE A 43 -15.088 -1.934 -1.891 1.00 0.00 H +ATOM 636 HE2 PHE A 43 -13.621 -1.027 -5.790 1.00 0.00 H +ATOM 637 HZ PHE A 43 -15.311 -0.724 -4.025 1.00 0.00 H +ATOM 638 N GLY A 44 -8.491 -3.108 -4.204 1.00 0.00 N +ATOM 639 CA GLY A 44 -7.617 -2.351 -5.080 1.00 0.00 C +ATOM 640 C GLY A 44 -6.192 -2.291 -4.566 1.00 0.00 C +ATOM 641 O GLY A 44 -5.715 -3.231 -3.932 1.00 0.00 O +ATOM 642 H GLY A 44 -8.594 -4.074 -4.333 1.00 0.00 H +ATOM 643 HA2 GLY A 44 -7.617 -2.812 -6.057 1.00 0.00 H +ATOM 644 HA3 GLY A 44 -7.998 -1.344 -5.168 1.00 0.00 H +ATOM 645 N GLU A 45 -5.511 -1.183 -4.842 1.00 0.00 N +ATOM 646 CA GLU A 45 -4.131 -1.006 -4.405 1.00 0.00 C +ATOM 647 C GLU A 45 -4.070 -0.202 -3.109 1.00 0.00 C +ATOM 648 O GLU A 45 -3.658 -0.713 -2.068 1.00 0.00 O +ATOM 649 CB GLU A 45 -3.314 -0.306 -5.492 1.00 0.00 C +ATOM 650 CG GLU A 45 -2.658 -1.263 -6.473 1.00 0.00 C +ATOM 651 CD GLU A 45 -3.587 -2.378 -6.910 1.00 0.00 C +ATOM 652 OE1 GLU A 45 -4.675 -2.071 -7.440 1.00 0.00 O +ATOM 653 OE2 GLU A 45 -3.226 -3.559 -6.721 1.00 0.00 O +ATOM 654 H GLU A 45 -5.946 -0.469 -5.352 1.00 0.00 H +ATOM 655 HA GLU A 45 -3.712 -1.985 -4.227 1.00 0.00 H +ATOM 656 HB2 GLU A 45 -3.965 0.354 -6.046 1.00 0.00 H +ATOM 657 HB3 GLU A 45 -2.539 0.281 -5.021 1.00 0.00 H +ATOM 658 HG2 GLU A 45 -2.350 -0.709 -7.347 1.00 0.00 H +ATOM 659 HG3 GLU A 45 -1.790 -1.701 -6.002 1.00 0.00 H +ATOM 660 N ARG A 46 -4.482 1.059 -3.183 1.00 0.00 N +ATOM 661 CA ARG A 46 -4.473 1.935 -2.017 1.00 0.00 C +ATOM 662 C ARG A 46 -5.500 1.479 -0.986 1.00 0.00 C +ATOM 663 O ARG A 46 -5.278 1.592 0.220 1.00 0.00 O +ATOM 664 CB ARG A 46 -4.760 3.378 -2.436 1.00 0.00 C +ATOM 665 CG ARG A 46 -3.670 3.991 -3.299 1.00 0.00 C +ATOM 666 CD ARG A 46 -3.576 5.495 -3.096 1.00 0.00 C +ATOM 667 NE ARG A 46 -2.944 6.163 -4.230 1.00 0.00 N +ATOM 668 CZ ARG A 46 -1.628 6.234 -4.401 1.00 0.00 C +ATOM 669 NH1 ARG A 46 -0.811 5.681 -3.516 1.00 0.00 N +ATOM 670 NH2 ARG A 46 -1.128 6.859 -5.459 1.00 0.00 N +ATOM 671 H ARG A 46 -4.800 1.409 -4.041 1.00 0.00 H +ATOM 672 HA ARG A 46 -3.489 1.887 -1.574 1.00 0.00 H +ATOM 673 HB2 ARG A 46 -5.685 3.403 -2.992 1.00 0.00 H +ATOM 674 HB3 ARG A 46 -4.867 3.983 -1.547 1.00 0.00 H +ATOM 675 HG2 ARG A 46 -2.722 3.544 -3.037 1.00 0.00 H +ATOM 676 HG3 ARG A 46 -3.890 3.789 -4.337 1.00 0.00 H +ATOM 677 HD2 ARG A 46 -4.573 5.890 -2.968 1.00 0.00 H +ATOM 678 HD3 ARG A 46 -2.996 5.689 -2.206 1.00 0.00 H +ATOM 679 HE ARG A 46 -3.529 6.578 -4.897 1.00 0.00 H +ATOM 680 HH11 ARG A 46 -1.185 5.208 -2.718 1.00 0.00 H +ATOM 681 HH12 ARG A 46 0.179 5.735 -3.647 1.00 0.00 H +ATOM 682 HH21 ARG A 46 -1.741 7.277 -6.129 1.00 0.00 H +ATOM 683 HH22 ARG A 46 -0.138 6.912 -5.587 1.00 0.00 H +ATOM 684 N CYS A 47 -6.626 0.963 -1.468 1.00 0.00 N +ATOM 685 CA CYS A 47 -7.689 0.490 -0.590 1.00 0.00 C +ATOM 686 C CYS A 47 -8.445 1.662 0.029 1.00 0.00 C +ATOM 687 O CYS A 47 -8.778 1.645 1.213 1.00 0.00 O +ATOM 688 CB CYS A 47 -7.110 -0.397 0.514 1.00 0.00 C +ATOM 689 SG CYS A 47 -5.612 -1.311 0.025 1.00 0.00 S +ATOM 690 H CYS A 47 -6.745 0.899 -2.440 1.00 0.00 H +ATOM 691 HA CYS A 47 -8.377 -0.092 -1.184 1.00 0.00 H +ATOM 692 HB2 CYS A 47 -6.855 0.219 1.364 1.00 0.00 H +ATOM 693 HB3 CYS A 47 -7.855 -1.121 0.811 1.00 0.00 H +ATOM 694 N GLY A 48 -8.713 2.681 -0.782 1.00 0.00 N +ATOM 695 CA GLY A 48 -9.428 3.848 -0.298 1.00 0.00 C +ATOM 696 C GLY A 48 -10.931 3.657 -0.320 1.00 0.00 C +ATOM 697 O GLY A 48 -11.646 4.214 0.512 1.00 0.00 O +ATOM 698 H GLY A 48 -8.423 2.640 -1.718 1.00 0.00 H +ATOM 699 HA2 GLY A 48 -9.116 4.051 0.716 1.00 0.00 H +ATOM 700 HA3 GLY A 48 -9.175 4.694 -0.919 1.00 0.00 H +ATOM 701 N GLU A 49 -11.412 2.869 -1.277 1.00 0.00 N +ATOM 702 CA GLU A 49 -12.841 2.610 -1.405 1.00 0.00 C +ATOM 703 C GLU A 49 -13.233 1.337 -0.659 1.00 0.00 C +ATOM 704 O GLU A 49 -12.489 0.356 -0.650 1.00 0.00 O +ATOM 705 CB GLU A 49 -13.230 2.489 -2.880 1.00 0.00 C +ATOM 706 CG GLU A 49 -13.545 3.823 -3.537 1.00 0.00 C +ATOM 707 CD GLU A 49 -14.729 4.522 -2.899 1.00 0.00 C +ATOM 708 OE1 GLU A 49 -14.543 5.160 -1.842 1.00 0.00 O +ATOM 709 OE2 GLU A 49 -15.843 4.432 -3.458 1.00 0.00 O +ATOM 710 H GLU A 49 -10.792 2.453 -1.911 1.00 0.00 H +ATOM 711 HA GLU A 49 -13.370 3.444 -0.970 1.00 0.00 H +ATOM 712 HB2 GLU A 49 -12.415 2.029 -3.419 1.00 0.00 H +ATOM 713 HB3 GLU A 49 -14.103 1.858 -2.959 1.00 0.00 H +ATOM 714 HG2 GLU A 49 -12.680 4.464 -3.454 1.00 0.00 H +ATOM 715 HG3 GLU A 49 -13.766 3.652 -4.581 1.00 0.00 H +ATOM 716 N LYS A 50 -14.405 1.361 -0.035 1.00 0.00 N +ATOM 717 CA LYS A 50 -14.897 0.210 0.714 1.00 0.00 C +ATOM 718 C LYS A 50 -16.292 -0.189 0.242 1.00 0.00 C +ATOM 719 O LYS A 50 -17.088 0.659 -0.160 1.00 0.00 O +ATOM 720 CB LYS A 50 -14.924 0.524 2.211 1.00 0.00 C +ATOM 721 CG LYS A 50 -16.003 1.518 2.605 1.00 0.00 C +ATOM 722 CD LYS A 50 -15.626 2.280 3.864 1.00 0.00 C +ATOM 723 CE LYS A 50 -15.929 1.472 5.117 1.00 0.00 C +ATOM 724 NZ LYS A 50 -17.391 1.404 5.393 1.00 0.00 N +ATOM 725 H LYS A 50 -14.953 2.173 -0.079 1.00 0.00 H +ATOM 726 HA LYS A 50 -14.221 -0.613 0.539 1.00 0.00 H +ATOM 727 HB2 LYS A 50 -15.093 -0.393 2.756 1.00 0.00 H +ATOM 728 HB3 LYS A 50 -13.966 0.932 2.499 1.00 0.00 H +ATOM 729 HG2 LYS A 50 -16.142 2.223 1.799 1.00 0.00 H +ATOM 730 HG3 LYS A 50 -16.926 0.983 2.782 1.00 0.00 H +ATOM 731 HD2 LYS A 50 -14.569 2.500 3.839 1.00 0.00 H +ATOM 732 HD3 LYS A 50 -16.187 3.204 3.897 1.00 0.00 H +ATOM 733 HE2 LYS A 50 -15.550 0.471 4.984 1.00 0.00 H +ATOM 734 HE3 LYS A 50 -15.434 1.936 5.957 1.00 0.00 H +ATOM 735 HZ1 LYS A 50 -17.567 0.851 6.256 1.00 0.00 H +ATOM 736 HZ2 LYS A 50 -17.884 0.951 4.597 1.00 0.00 H +ATOM 737 HZ3 LYS A 50 -17.775 2.361 5.523 1.00 0.00 H Added: SwiftApps/modFTdock/input/2v3s-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2v3s-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2v3s-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,756 @@ +ATOM 1 N GLY A 432 -9.909 6.428 10.823 1.00 35.25 N +ATOM 2 CA GLY A 432 -8.914 7.234 11.574 1.00 34.00 C +ATOM 3 C GLY A 432 -8.792 8.670 11.090 1.00 33.63 C +ATOM 4 O GLY A 432 -9.381 9.041 10.052 1.00 35.89 O +ATOM 5 N PRO A 433 -8.020 9.498 11.816 1.00 32.24 N +ATOM 6 CA PRO A 433 -7.215 9.158 13.009 1.00 30.50 C +ATOM 7 C PRO A 433 -8.048 8.679 14.196 1.00 28.50 C +ATOM 8 O PRO A 433 -9.219 9.051 14.320 1.00 28.08 O +ATOM 9 CB PRO A 433 -6.525 10.477 13.352 1.00 30.70 C +ATOM 10 CG PRO A 433 -7.412 11.532 12.740 1.00 31.90 C +ATOM 11 CD PRO A 433 -7.891 10.924 11.468 1.00 32.40 C +ATOM 12 N ILE A 434 -7.426 7.871 15.046 1.00 25.01 N +ATOM 13 CA ILE A 434 -8.112 7.201 16.161 1.00 23.32 C +ATOM 14 C ILE A 434 -7.515 7.759 17.448 1.00 21.69 C +ATOM 15 O ILE A 434 -6.292 7.830 17.579 1.00 21.61 O +ATOM 16 CB ILE A 434 -7.932 5.647 16.114 1.00 22.10 C +ATOM 17 CG1 ILE A 434 -8.316 5.049 14.744 1.00 23.88 C +ATOM 18 CG2 ILE A 434 -8.747 4.983 17.234 1.00 21.90 C +ATOM 19 CD1 ILE A 434 -8.035 3.543 14.613 1.00 23.87 C +ATOM 20 N SER A 435 -8.362 8.182 18.388 1.00 20.91 N +ATOM 21 CA SER A 435 -7.859 8.726 19.638 1.00 20.58 C +ATOM 22 C SER A 435 -7.817 7.568 20.622 1.00 19.40 C +ATOM 23 O SER A 435 -8.861 6.988 20.920 1.00 19.36 O +ATOM 24 CB SER A 435 -8.772 9.837 20.163 1.00 21.56 C +ATOM 25 OG SER A 435 -8.638 10.990 19.352 1.00 24.26 O +ATOM 26 N LEU A 436 -6.619 7.213 21.062 1.00 19.33 N +ATOM 27 CA LEU A 436 -6.456 6.039 21.899 1.00 18.78 C +ATOM 28 C LEU A 436 -5.958 6.415 23.272 1.00 18.98 C +ATOM 29 O LEU A 436 -5.407 7.522 23.480 1.00 19.29 O +ATOM 30 CB LEU A 436 -5.508 5.033 21.252 1.00 19.06 C +ATOM 31 CG LEU A 436 -5.982 4.337 19.985 1.00 20.01 C +ATOM 32 CD1 LEU A 436 -4.760 3.920 19.192 1.00 20.89 C +ATOM 33 CD2 LEU A 436 -6.848 3.129 20.335 1.00 22.12 C +ATOM 34 N VAL A 437 -6.147 5.488 24.207 1.00 17.61 N +ATOM 35 CA VAL A 437 -5.584 5.602 25.550 1.00 17.57 C +ATOM 36 C VAL A 437 -4.961 4.280 25.950 1.00 17.66 C +ATOM 37 O VAL A 437 -5.615 3.225 25.847 1.00 17.58 O +ATOM 38 CB VAL A 437 -6.667 5.973 26.597 1.00 18.55 C +ATOM 39 CG1 VAL A 437 -5.995 6.354 27.924 1.00 19.31 C +ATOM 40 CG2 VAL A 437 -7.582 7.103 26.061 1.00 19.96 C +ATOM 41 N LEU A 438 -3.698 4.346 26.381 1.00 16.74 N +ATOM 42 CA LEU A 438 -3.038 3.218 27.001 1.00 17.82 C +ATOM 43 C LEU A 438 -3.046 3.476 28.513 1.00 18.47 C +ATOM 44 O LEU A 438 -2.499 4.477 28.999 1.00 18.38 O +ATOM 45 CB LEU A 438 -1.594 3.028 26.490 1.00 17.98 C +ATOM 46 CG LEU A 438 -0.837 1.877 27.178 1.00 19.03 C +ATOM 47 CD1 LEU A 438 -1.484 0.518 26.913 1.00 19.61 C +ATOM 48 CD2 LEU A 438 0.660 1.872 26.782 1.00 18.62 C +ATOM 49 N ARG A 439 -3.702 2.574 29.226 1.00 17.64 N +ATOM 50 CA ARG A 439 -3.790 2.643 30.678 1.00 17.11 C +ATOM 51 C ARG A 439 -2.931 1.556 31.316 1.00 16.56 C +ATOM 52 O ARG A 439 -3.104 0.347 31.051 1.00 15.99 O +ATOM 53 CB ARG A 439 -5.238 2.503 31.147 1.00 18.79 C +ATOM 54 CG ARG A 439 -5.324 2.448 32.668 1.00 17.71 C +ATOM 55 CD ARG A 439 -6.746 2.382 33.138 1.00 19.99 C +ATOM 56 NE ARG A 439 -7.392 3.689 33.079 1.00 22.28 N +ATOM 57 CZ ARG A 439 -8.468 4.015 33.781 1.00 23.27 C +ATOM 58 NH1 ARG A 439 -9.010 3.118 34.612 1.00 23.02 N +ATOM 59 NH2 ARG A 439 -8.998 5.237 33.639 1.00 22.86 N +ATOM 60 N LEU A 440 -1.977 1.996 32.137 1.00 16.94 N +ATOM 61 CA LEU A 440 -1.102 1.060 32.809 1.00 17.99 C +ATOM 62 C LEU A 440 -0.418 1.756 33.987 1.00 17.60 C +ATOM 63 O LEU A 440 -0.340 2.983 34.010 1.00 17.24 O +ATOM 64 CB LEU A 440 -0.069 0.494 31.813 1.00 18.20 C +ATOM 65 CG LEU A 440 1.211 1.285 31.498 1.00 20.29 C +ATOM 66 CD1 LEU A 440 0.828 2.510 30.698 1.00 20.33 C +ATOM 67 CD2 LEU A 440 2.291 0.469 30.722 1.00 19.53 C +ATOM 68 N ARG A 441 0.092 0.963 34.926 1.00 17.18 N +ATOM 69 CA ARG A 441 0.739 1.524 36.114 1.00 17.43 C +ATOM 70 C ARG A 441 2.171 1.951 35.760 1.00 17.32 C +ATOM 71 O ARG A 441 2.850 1.269 34.963 1.00 17.03 O +ATOM 72 CB ARG A 441 0.718 0.510 37.239 1.00 17.21 C +ATOM 73 CG ARG A 441 -0.711 0.289 37.726 1.00 17.29 C +ATOM 74 CD ARG A 441 -0.821 -0.730 38.878 1.00 18.55 C +ATOM 75 NE ARG A 441 -2.241 -0.869 39.229 1.00 18.74 N +ATOM 76 CZ ARG A 441 -2.921 0.000 39.969 1.00 20.42 C +ATOM 77 NH1 ARG A 441 -2.319 1.079 40.480 1.00 18.65 N +ATOM 78 NH2 ARG A 441 -4.223 -0.187 40.187 1.00 19.19 N +ATOM 79 N ASN A 442 2.629 3.057 36.341 1.00 16.47 N +ATOM 80 CA ASN A 442 4.013 3.491 36.127 1.00 15.23 C +ATOM 81 C ASN A 442 4.935 2.722 37.091 1.00 16.13 C +ATOM 82 O ASN A 442 4.482 1.765 37.734 1.00 16.19 O +ATOM 83 CB ASN A 442 4.120 5.020 36.264 1.00 15.28 C +ATOM 84 CG ASN A 442 3.897 5.512 37.694 1.00 14.24 C +ATOM 85 OD1 ASN A 442 3.873 4.724 38.649 1.00 14.71 O +ATOM 86 ND2 ASN A 442 3.792 6.838 37.848 1.00 15.76 N +ATOM 87 N SER A 443 6.198 3.137 37.201 1.00 16.80 N +ATOM 88 CA SER A 443 7.217 2.402 37.979 1.00 17.51 C +ATOM 89 C SER A 443 6.961 2.523 39.479 1.00 17.73 C +ATOM 90 O SER A 443 7.455 1.702 40.274 1.00 18.58 O +ATOM 91 CB SER A 443 8.607 2.944 37.633 1.00 17.27 C +ATOM 92 OG SER A 443 8.888 2.675 36.263 1.00 17.22 O +ATOM 93 N LYS A 444 6.177 3.540 39.855 1.00 17.36 N +ATOM 94 CA LYS A 444 5.742 3.735 41.233 1.00 18.21 C +ATOM 95 C LYS A 444 4.405 3.023 41.523 1.00 18.59 C +ATOM 96 O LYS A 444 3.853 3.193 42.619 1.00 19.38 O +ATOM 97 CB LYS A 444 5.628 5.231 41.565 1.00 17.76 C +ATOM 98 CG LYS A 444 6.958 5.994 41.497 1.00 19.55 C +ATOM 99 CD LYS A 444 6.726 7.460 41.868 1.00 18.43 C +ATOM 100 CE LYS A 444 6.642 7.668 43.356 1.00 20.87 C +ATOM 101 NZ LYS A 444 6.474 9.112 43.659 1.00 18.99 N +ATOM 102 N LYS A 445 3.944 2.211 40.553 1.00 17.74 N +ATOM 103 CA LYS A 445 2.665 1.448 40.609 1.00 18.06 C +ATOM 104 C LYS A 445 1.413 2.347 40.591 1.00 18.67 C +ATOM 105 O LYS A 445 0.308 1.917 40.963 1.00 18.87 O +ATOM 106 CB LYS A 445 2.627 0.496 41.815 1.00 18.80 C +ATOM 107 CG LYS A 445 3.755 -0.480 41.809 1.00 20.80 C +ATOM 108 CD LYS A 445 3.676 -1.478 42.957 1.00 23.87 C +ATOM 109 CE LYS A 445 4.939 -2.316 42.964 1.00 25.58 C +ATOM 110 NZ LYS A 445 4.911 -3.471 43.899 1.00 27.05 N +ATOM 111 N GLU A 446 1.601 3.571 40.109 1.00 17.89 N +ATOM 112 CA GLU A 446 0.514 4.534 39.931 1.00 19.21 C +ATOM 113 C GLU A 446 -0.189 4.398 38.589 1.00 19.03 C +ATOM 114 O GLU A 446 0.449 4.414 37.537 1.00 17.71 O +ATOM 115 CB GLU A 446 1.023 5.977 40.071 1.00 19.16 C +ATOM 116 CG GLU A 446 1.743 6.275 41.415 1.00 21.34 C +ATOM 117 CD GLU A 446 2.490 7.599 41.420 1.00 20.05 C +ATOM 118 OE1 GLU A 446 2.909 8.097 40.353 1.00 19.31 O +ATOM 119 OE2 GLU A 446 2.679 8.139 42.540 1.00 24.49 O +ATOM 120 N LEU A 447 -1.520 4.307 38.638 1.00 19.42 N +ATOM 121 CA LEU A 447 -2.291 4.216 37.400 1.00 20.93 C +ATOM 122 C LEU A 447 -2.235 5.497 36.558 1.00 20.79 C +ATOM 123 O LEU A 447 -2.442 6.609 37.049 1.00 21.40 O +ATOM 124 CB LEU A 447 -3.737 3.813 37.716 1.00 20.57 C +ATOM 125 CG LEU A 447 -4.543 3.187 36.593 1.00 22.55 C +ATOM 126 CD1 LEU A 447 -3.968 1.848 36.223 1.00 19.73 C +ATOM 127 CD2 LEU A 447 -6.006 3.036 37.081 1.00 22.21 C +ATOM 128 N ASN A 448 -1.904 5.344 35.281 1.00 20.86 N +ATOM 129 CA ASN A 448 -1.903 6.467 34.354 1.00 21.37 C +ATOM 130 C ASN A 448 -2.610 6.147 33.052 1.00 20.55 C +ATOM 131 O ASN A 448 -2.612 4.990 32.614 1.00 19.82 O +ATOM 132 CB ASN A 448 -0.476 6.960 34.065 1.00 21.65 C +ATOM 133 CG ASN A 448 0.125 7.669 35.257 1.00 24.22 C +ATOM 134 OD1 ASN A 448 0.567 7.033 36.216 1.00 26.64 O +ATOM 135 ND2 ASN A 448 0.138 8.983 35.208 1.00 25.60 N +ATOM 136 N ASP A 449 -3.212 7.180 32.462 1.00 19.80 N +ATOM 137 CA ASP A 449 -3.866 7.095 31.155 1.00 20.03 C +ATOM 138 C ASP A 449 -3.010 7.857 30.139 1.00 20.93 C +ATOM 139 O ASP A 449 -2.870 9.086 30.222 1.00 20.46 O +ATOM 140 CB ASP A 449 -5.272 7.713 31.202 1.00 19.74 C +ATOM 141 CG ASP A 449 -6.328 6.764 31.753 1.00 19.52 C +ATOM 142 OD1 ASP A 449 -6.090 5.554 31.823 1.00 23.21 O +ATOM 143 OD2 ASP A 449 -7.438 7.224 32.072 1.00 24.26 O +ATOM 144 N ILE A 450 -2.411 7.120 29.202 1.00 20.95 N +ATOM 145 CA ILE A 450 -1.540 7.747 28.207 1.00 21.40 C +ATOM 146 C ILE A 450 -2.347 7.985 26.935 1.00 21.00 C +ATOM 147 O ILE A 450 -2.803 7.037 26.304 1.00 20.58 O +ATOM 148 CB ILE A 450 -0.288 6.891 27.905 1.00 20.90 C +ATOM 149 CG1 ILE A 450 0.495 6.588 29.199 1.00 20.79 C +ATOM 150 CG2 ILE A 450 0.560 7.579 26.813 1.00 21.95 C +ATOM 151 CD1 ILE A 450 1.583 5.493 29.012 1.00 24.46 C +ATOM 152 N ARG A 451 -2.552 9.252 26.589 1.00 20.99 N +ATOM 153 CA ARG A 451 -3.350 9.624 25.407 1.00 21.46 C +ATOM 154 C ARG A 451 -2.451 9.709 24.149 1.00 21.62 C +ATOM 155 O ARG A 451 -1.313 10.179 24.223 1.00 21.18 O +ATOM 156 CB ARG A 451 -4.099 10.944 25.658 1.00 23.39 C +ATOM 157 CG ARG A 451 -5.397 10.781 26.480 1.00 24.01 C +ATOM 158 CD ARG A 451 -5.593 11.807 27.617 1.00 34.31 C +ATOM 159 NE ARG A 451 -4.979 11.370 28.880 1.00 37.62 N +ATOM 160 CZ ARG A 451 -5.477 11.577 30.104 1.00 39.09 C +ATOM 161 NH1 ARG A 451 -6.633 12.214 30.292 1.00 39.45 N +ATOM 162 NH2 ARG A 451 -4.807 11.134 31.158 1.00 39.98 N +ATOM 163 N PHE A 452 -2.935 9.190 23.016 1.00 21.25 N +ATOM 164 CA PHE A 452 -2.179 9.296 21.764 1.00 21.11 C +ATOM 165 C PHE A 452 -3.072 9.014 20.559 1.00 21.76 C +ATOM 166 O PHE A 452 -4.089 8.330 20.678 1.00 21.66 O +ATOM 167 CB PHE A 452 -0.932 8.397 21.792 1.00 21.37 C +ATOM 168 CG PHE A 452 -1.227 6.912 21.763 1.00 20.48 C +ATOM 169 CD1 PHE A 452 -1.257 6.212 20.557 1.00 20.98 C +ATOM 170 CD2 PHE A 452 -1.485 6.216 22.954 1.00 20.62 C +ATOM 171 CE1 PHE A 452 -1.527 4.811 20.542 1.00 21.76 C +ATOM 172 CE2 PHE A 452 -1.776 4.834 22.949 1.00 22.28 C +ATOM 173 CZ PHE A 452 -1.789 4.128 21.740 1.00 22.15 C +ATOM 174 N GLU A 453 -2.698 9.571 19.414 1.00 22.29 N +ATOM 175 CA GLU A 453 -3.429 9.360 18.171 1.00 22.93 C +ATOM 176 C GLU A 453 -2.731 8.286 17.361 1.00 21.39 C +ATOM 177 O GLU A 453 -1.514 8.123 17.457 1.00 21.51 O +ATOM 178 CB GLU A 453 -3.460 10.638 17.336 1.00 23.09 C +ATOM 179 CG GLU A 453 -4.176 11.810 17.941 1.00 26.71 C +ATOM 180 CD GLU A 453 -4.026 13.061 17.084 1.00 27.44 C +ATOM 181 OE1 GLU A 453 -3.766 12.931 15.850 1.00 31.75 O +ATOM 182 OE2 GLU A 453 -4.170 14.167 17.648 1.00 35.54 O +ATOM 183 N PHE A 454 -3.520 7.550 16.588 1.00 19.14 N +ATOM 184 CA PHE A 454 -3.022 6.564 15.627 1.00 18.36 C +ATOM 185 C PHE A 454 -3.715 6.850 14.300 1.00 18.32 C +ATOM 186 O PHE A 454 -4.945 6.878 14.233 1.00 17.87 O +ATOM 187 CB PHE A 454 -3.384 5.141 16.099 1.00 17.54 C +ATOM 188 CG PHE A 454 -2.693 4.049 15.326 1.00 20.11 C +ATOM 189 CD1 PHE A 454 -1.543 3.441 15.838 1.00 18.88 C +ATOM 190 CD2 PHE A 454 -3.165 3.653 14.081 1.00 19.24 C +ATOM 191 CE1 PHE A 454 -0.867 2.426 15.109 1.00 20.65 C +ATOM 192 CE2 PHE A 454 -2.486 2.657 13.328 1.00 17.73 C +ATOM 193 CZ PHE A 454 -1.347 2.045 13.852 1.00 19.14 C +ATOM 194 N THR A 455 -2.933 7.049 13.242 1.00 19.09 N +ATOM 195 CA THR A 455 -3.504 7.291 11.910 1.00 19.12 C +ATOM 196 C THR A 455 -3.352 6.087 10.946 1.00 19.84 C +ATOM 197 O THR A 455 -2.268 5.865 10.422 1.00 18.42 O +ATOM 198 CB THR A 455 -2.879 8.560 11.320 1.00 20.59 C +ATOM 199 OG1 THR A 455 -3.135 9.638 12.232 1.00 20.80 O +ATOM 200 CG2 THR A 455 -3.522 8.895 9.979 1.00 19.20 C +ATOM 201 N PRO A 456 -4.447 5.322 10.718 1.00 20.32 N +ATOM 202 CA PRO A 456 -4.368 4.181 9.784 1.00 21.01 C +ATOM 203 C PRO A 456 -3.878 4.636 8.400 1.00 20.71 C +ATOM 204 O PRO A 456 -4.196 5.751 7.955 1.00 20.11 O +ATOM 205 CB PRO A 456 -5.815 3.687 9.712 1.00 21.41 C +ATOM 206 CG PRO A 456 -6.416 4.096 11.076 1.00 21.33 C +ATOM 207 CD PRO A 456 -5.799 5.456 11.306 1.00 20.85 C +ATOM 208 N GLY A 457 -3.065 3.801 7.762 1.00 20.49 N +ATOM 209 CA GLY A 457 -2.390 4.193 6.518 1.00 21.08 C +ATOM 210 C GLY A 457 -1.024 4.849 6.705 1.00 20.27 C +ATOM 211 O GLY A 457 -0.149 4.726 5.845 1.00 21.21 O +ATOM 212 N ARG A 458 -0.840 5.578 7.805 1.00 19.85 N +ATOM 213 CA ARG A 458 0.437 6.218 8.102 1.00 20.00 C +ATOM 214 C ARG A 458 1.229 5.510 9.183 1.00 19.67 C +ATOM 215 O ARG A 458 2.445 5.364 9.062 1.00 19.78 O +ATOM 216 CB ARG A 458 0.248 7.693 8.493 1.00 21.28 C +ATOM 217 CG ARG A 458 1.533 8.382 8.898 1.00 24.53 C +ATOM 218 CD ARG A 458 1.287 9.889 8.968 1.00 31.36 C +ATOM 219 NE ARG A 458 0.903 10.333 10.304 1.00 38.49 N +ATOM 220 CZ ARG A 458 0.007 11.291 10.557 1.00 40.29 C +ATOM 221 NH1 ARG A 458 -0.645 11.902 9.569 1.00 41.86 N +ATOM 222 NH2 ARG A 458 -0.256 11.621 11.810 1.00 41.33 N +ATOM 223 N ASP A 459 0.545 5.126 10.264 1.00 18.61 N +ATOM 224 CA ASP A 459 1.192 4.493 11.420 1.00 18.45 C +ATOM 225 C ASP A 459 1.025 2.987 11.376 1.00 18.55 C +ATOM 226 O ASP A 459 0.065 2.510 10.807 1.00 18.41 O +ATOM 227 CB ASP A 459 0.506 4.979 12.702 1.00 18.77 C +ATOM 228 CG ASP A 459 0.739 6.467 12.981 1.00 18.89 C +ATOM 229 OD1 ASP A 459 1.844 6.988 12.660 1.00 20.81 O +ATOM 230 OD2 ASP A 459 -0.206 7.104 13.518 1.00 17.90 O +ATOM 231 N THR A 460 1.935 2.257 12.023 1.00 18.38 N +ATOM 232 CA THR A 460 1.738 0.813 12.222 1.00 17.96 C +ATOM 233 C THR A 460 1.689 0.484 13.700 1.00 17.87 C +ATOM 234 O THR A 460 2.205 1.227 14.533 1.00 17.16 O +ATOM 235 CB THR A 460 2.838 -0.030 11.591 1.00 18.33 C +ATOM 236 OG1 THR A 460 4.100 0.287 12.204 1.00 18.86 O +ATOM 237 CG2 THR A 460 2.872 0.198 10.050 1.00 18.42 C +ATOM 238 N ALA A 461 1.086 -0.652 14.011 1.00 17.39 N +ATOM 239 CA ALA A 461 1.037 -1.081 15.397 1.00 17.23 C +ATOM 240 C ALA A 461 2.473 -1.306 15.925 1.00 16.87 C +ATOM 241 O ALA A 461 2.810 -0.860 17.023 1.00 17.49 O +ATOM 242 CB ALA A 461 0.188 -2.341 15.517 1.00 17.78 C +ATOM 243 N GLU A 462 3.334 -1.978 15.153 1.00 17.50 N +ATOM 244 CA GLU A 462 4.735 -2.197 15.597 1.00 18.48 C +ATOM 245 C GLU A 462 5.465 -0.867 15.833 1.00 17.65 C +ATOM 246 O GLU A 462 6.179 -0.703 16.833 1.00 18.70 O +ATOM 247 CB GLU A 462 5.492 -3.054 14.577 1.00 19.23 C +ATOM 248 CG GLU A 462 6.897 -3.386 14.980 1.00 23.93 C +ATOM 249 CD GLU A 462 7.019 -4.781 15.501 1.00 28.97 C +ATOM 250 OE1 GLU A 462 8.141 -5.327 15.391 1.00 32.45 O +ATOM 251 OE2 GLU A 462 5.994 -5.340 15.983 1.00 30.84 O +ATOM 252 N GLY A 463 5.257 0.089 14.927 1.00 16.52 N +ATOM 253 CA GLY A 463 5.980 1.350 14.953 1.00 17.10 C +ATOM 254 C GLY A 463 5.605 2.128 16.184 1.00 17.29 C +ATOM 255 O GLY A 463 6.470 2.613 16.916 1.00 17.27 O +ATOM 256 N VAL A 464 4.303 2.234 16.415 1.00 16.83 N +ATOM 257 CA VAL A 464 3.811 2.999 17.562 1.00 17.26 C +ATOM 258 C VAL A 464 4.200 2.314 18.899 1.00 16.69 C +ATOM 259 O VAL A 464 4.538 2.995 19.881 1.00 16.78 O +ATOM 260 CB VAL A 464 2.302 3.295 17.457 1.00 17.20 C +ATOM 261 CG1 VAL A 464 2.028 4.225 16.266 1.00 16.79 C +ATOM 262 CG2 VAL A 464 1.784 3.959 18.765 1.00 16.96 C +ATOM 263 N SER A 465 4.169 0.975 18.934 1.00 17.63 N +ATOM 264 CA SER A 465 4.619 0.231 20.117 1.00 18.28 C +ATOM 265 C SER A 465 6.090 0.530 20.430 1.00 18.66 C +ATOM 266 O SER A 465 6.480 0.751 21.595 1.00 18.59 O +ATOM 267 CB SER A 465 4.376 -1.261 19.929 1.00 18.33 C +ATOM 268 OG SER A 465 2.975 -1.475 19.776 1.00 19.07 O +ATOM 269 N GLN A 466 6.904 0.577 19.378 1.00 18.71 N +ATOM 270 CA GLN A 466 8.319 0.940 19.534 1.00 19.60 C +ATOM 271 C GLN A 466 8.485 2.358 20.066 1.00 18.55 C +ATOM 272 O GLN A 466 9.333 2.610 20.929 1.00 18.54 O +ATOM 273 CB GLN A 466 9.067 0.737 18.217 1.00 20.58 C +ATOM 274 CG GLN A 466 9.148 -0.738 17.853 1.00 22.65 C +ATOM 275 CD GLN A 466 9.942 -1.005 16.603 1.00 29.54 C +ATOM 276 OE1 GLN A 466 9.768 -0.323 15.572 1.00 34.29 O +ATOM 277 NE2 GLN A 466 10.816 -2.025 16.665 1.00 30.95 N +ATOM 278 N GLU A 467 7.651 3.276 19.578 1.00 18.52 N +ATOM 279 CA GLU A 467 7.605 4.639 20.120 1.00 18.85 C +ATOM 280 C GLU A 467 7.289 4.651 21.615 1.00 18.47 C +ATOM 281 O GLU A 467 7.903 5.405 22.384 1.00 18.66 O +ATOM 282 CB GLU A 467 6.572 5.502 19.398 1.00 18.65 C +ATOM 283 CG GLU A 467 6.954 5.852 17.955 1.00 21.63 C +ATOM 284 CD GLU A 467 5.965 6.808 17.313 1.00 20.94 C +ATOM 285 OE1 GLU A 467 5.622 7.841 17.933 1.00 23.72 O +ATOM 286 OE2 GLU A 467 5.513 6.535 16.189 1.00 25.10 O +ATOM 287 N LEU A 468 6.332 3.828 22.029 1.00 18.28 N +ATOM 288 CA LEU A 468 5.973 3.781 23.454 1.00 18.33 C +ATOM 289 C LEU A 468 7.179 3.355 24.297 1.00 18.74 C +ATOM 290 O LEU A 468 7.437 3.931 25.358 1.00 18.83 O +ATOM 291 CB LEU A 468 4.776 2.846 23.677 1.00 18.64 C +ATOM 292 CG LEU A 468 3.398 3.429 23.327 1.00 18.88 C +ATOM 293 CD1 LEU A 468 2.411 2.290 23.113 1.00 18.55 C +ATOM 294 CD2 LEU A 468 2.845 4.425 24.382 1.00 19.98 C +ATOM 295 N ILE A 469 7.907 2.357 23.793 1.00 18.20 N +ATOM 296 CA ILE A 469 9.097 1.787 24.458 1.00 20.00 C +ATOM 297 C ILE A 469 10.261 2.780 24.498 1.00 20.36 C +ATOM 298 O ILE A 469 10.845 3.026 25.562 1.00 20.81 O +ATOM 299 CB ILE A 469 9.473 0.448 23.793 1.00 19.68 C +ATOM 300 CG1 ILE A 469 8.412 -0.599 24.143 1.00 20.71 C +ATOM 301 CG2 ILE A 469 10.908 -0.013 24.204 1.00 20.51 C +ATOM 302 CD1 ILE A 469 8.379 -1.812 23.217 1.00 21.19 C +ATOM 303 N SER A 470 10.563 3.376 23.352 1.00 21.83 N +ATOM 304 CA SER A 470 11.613 4.397 23.280 1.00 23.24 C +ATOM 305 C SER A 470 11.316 5.615 24.174 1.00 23.11 C +ATOM 306 O SER A 470 12.250 6.252 24.700 1.00 23.89 O +ATOM 307 CB SER A 470 11.866 4.791 21.826 1.00 23.57 C +ATOM 308 OG SER A 470 10.706 5.397 21.309 1.00 27.54 O +ATOM 309 N ALA A 471 10.029 5.909 24.398 1.00 21.93 N +ATOM 310 CA ALA A 471 9.611 6.992 25.304 1.00 21.67 C +ATOM 311 C ALA A 471 9.703 6.617 26.773 1.00 22.06 C +ATOM 312 O ALA A 471 9.464 7.452 27.644 1.00 23.00 O +ATOM 313 CB ALA A 471 8.188 7.486 24.962 1.00 21.79 C +ATOM 314 N GLY A 472 10.033 5.351 27.036 1.00 21.35 N +ATOM 315 CA GLY A 472 10.084 4.829 28.400 1.00 21.17 C +ATOM 316 C GLY A 472 8.727 4.663 29.061 1.00 21.03 C +ATOM 317 O GLY A 472 8.646 4.594 30.283 1.00 22.73 O +ATOM 318 N LEU A 473 7.673 4.542 28.252 1.00 20.80 N +ATOM 319 CA LEU A 473 6.300 4.390 28.751 1.00 21.05 C +ATOM 320 C LEU A 473 5.876 2.920 28.846 1.00 20.38 C +ATOM 321 O LEU A 473 4.979 2.568 29.626 1.00 21.19 O +ATOM 322 CB LEU A 473 5.314 5.172 27.887 1.00 20.72 C +ATOM 323 CG LEU A 473 5.533 6.701 27.906 1.00 21.57 C +ATOM 324 CD1 LEU A 473 4.720 7.379 26.851 1.00 20.94 C +ATOM 325 CD2 LEU A 473 5.268 7.323 29.289 1.00 21.57 C +ATOM 326 N VAL A 474 6.505 2.088 28.021 1.00 19.18 N +ATOM 327 CA VAL A 474 6.240 0.652 27.999 1.00 18.33 C +ATOM 328 C VAL A 474 7.575 -0.094 28.077 1.00 18.11 C +ATOM 329 O VAL A 474 8.580 0.345 27.491 1.00 18.62 O +ATOM 330 CB VAL A 474 5.469 0.305 26.694 1.00 17.43 C +ATOM 331 CG1 VAL A 474 5.456 -1.240 26.436 1.00 16.90 C +ATOM 332 CG2 VAL A 474 4.013 0.917 26.737 1.00 15.90 C +ATOM 333 N ASP A 475 7.589 -1.208 28.821 1.00 17.77 N +ATOM 334 CA ASP A 475 8.777 -2.041 28.970 1.00 18.87 C +ATOM 335 C ASP A 475 9.094 -2.734 27.638 1.00 18.74 C +ATOM 336 O ASP A 475 8.185 -3.245 26.963 1.00 19.49 O +ATOM 337 CB ASP A 475 8.558 -3.086 30.072 1.00 18.85 C +ATOM 338 CG ASP A 475 9.844 -3.880 30.404 1.00 20.82 C +ATOM 339 OD1 ASP A 475 10.239 -4.770 29.609 1.00 20.39 O +ATOM 340 OD2 ASP A 475 10.430 -3.643 31.487 1.00 22.19 O +ATOM 341 N GLY A 476 10.376 -2.778 27.264 1.00 19.04 N +ATOM 342 CA GLY A 476 10.759 -3.430 25.993 1.00 18.81 C +ATOM 343 C GLY A 476 10.311 -4.884 25.812 1.00 18.35 C +ATOM 344 O GLY A 476 10.099 -5.344 24.651 1.00 18.36 O +ATOM 345 N ARG A 477 10.139 -5.602 26.928 1.00 17.27 N +ATOM 346 CA ARG A 477 9.668 -6.996 26.899 1.00 17.31 C +ATOM 347 C ARG A 477 8.232 -7.127 26.378 1.00 18.32 C +ATOM 348 O ARG A 477 7.812 -8.195 25.906 1.00 18.22 O +ATOM 349 CB ARG A 477 9.758 -7.621 28.287 1.00 17.97 C +ATOM 350 CG ARG A 477 11.206 -7.908 28.720 1.00 18.58 C +ATOM 351 CD ARG A 477 11.263 -8.285 30.163 1.00 19.91 C +ATOM 352 NE ARG A 477 11.042 -7.122 31.015 1.00 22.17 N +ATOM 353 CZ ARG A 477 11.029 -7.159 32.332 1.00 22.23 C +ATOM 354 NH1 ARG A 477 11.240 -8.322 32.963 1.00 22.71 N +ATOM 355 NH2 ARG A 477 10.818 -6.046 33.010 1.00 22.71 N +ATOM 356 N ASP A 478 7.509 -6.015 26.441 1.00 17.29 N +ATOM 357 CA ASP A 478 6.090 -5.965 26.073 1.00 17.57 C +ATOM 358 C ASP A 478 5.804 -5.570 24.609 1.00 17.72 C +ATOM 359 O ASP A 478 4.638 -5.427 24.205 1.00 17.31 O +ATOM 360 CB ASP A 478 5.381 -5.052 27.068 1.00 17.38 C +ATOM 361 CG ASP A 478 5.478 -5.577 28.481 1.00 16.46 C +ATOM 362 OD1 ASP A 478 5.452 -6.813 28.650 1.00 17.90 O +ATOM 363 OD2 ASP A 478 5.564 -4.764 29.417 1.00 17.98 O +ATOM 364 N LEU A 479 6.857 -5.406 23.806 1.00 17.88 N +ATOM 365 CA LEU A 479 6.683 -5.016 22.394 1.00 17.19 C +ATOM 366 C LEU A 479 5.635 -5.848 21.639 1.00 17.44 C +ATOM 367 O LEU A 479 4.678 -5.316 21.062 1.00 17.37 O +ATOM 368 CB LEU A 479 8.049 -5.058 21.645 1.00 16.94 C +ATOM 369 CG LEU A 479 7.916 -4.790 20.136 1.00 17.78 C +ATOM 370 CD1 LEU A 479 7.378 -3.375 19.914 1.00 20.24 C +ATOM 371 CD2 LEU A 479 9.273 -4.991 19.496 1.00 21.20 C +ATOM 372 N VAL A 480 5.819 -7.159 21.659 1.00 16.78 N +ATOM 373 CA VAL A 480 4.976 -8.074 20.914 1.00 17.81 C +ATOM 374 C VAL A 480 3.506 -8.043 21.352 1.00 17.03 C +ATOM 375 O VAL A 480 2.615 -7.934 20.509 1.00 17.27 O +ATOM 376 CB VAL A 480 5.590 -9.502 20.926 1.00 18.43 C +ATOM 377 CG1 VAL A 480 4.608 -10.546 20.372 1.00 20.88 C +ATOM 378 CG2 VAL A 480 6.887 -9.471 20.107 1.00 19.32 C +ATOM 379 N ILE A 481 3.251 -8.115 22.662 1.00 16.56 N +ATOM 380 CA ILE A 481 1.874 -8.136 23.137 1.00 16.81 C +ATOM 381 C ILE A 481 1.178 -6.771 22.922 1.00 16.27 C +ATOM 382 O ILE A 481 -0.014 -6.695 22.565 1.00 15.55 O +ATOM 383 CB ILE A 481 1.767 -8.651 24.613 1.00 17.71 C +ATOM 384 CG1 ILE A 481 0.298 -8.931 24.973 1.00 16.69 C +ATOM 385 CG2 ILE A 481 2.454 -7.728 25.627 1.00 19.30 C +ATOM 386 CD1 ILE A 481 -0.335 -10.008 24.179 1.00 22.84 C +ATOM 387 N VAL A 482 1.922 -5.684 23.132 1.00 15.51 N +ATOM 388 CA VAL A 482 1.307 -4.364 22.921 1.00 15.70 C +ATOM 389 C VAL A 482 1.008 -4.141 21.426 1.00 15.70 C +ATOM 390 O VAL A 482 -0.084 -3.681 21.071 1.00 15.95 O +ATOM 391 CB VAL A 482 2.219 -3.244 23.497 1.00 15.55 C +ATOM 392 CG1 VAL A 482 1.807 -1.852 22.999 1.00 17.04 C +ATOM 393 CG2 VAL A 482 2.222 -3.314 25.008 1.00 16.41 C +ATOM 394 N ALA A 483 1.965 -4.488 20.559 1.00 15.54 N +ATOM 395 CA ALA A 483 1.744 -4.408 19.106 1.00 15.97 C +ATOM 396 C ALA A 483 0.537 -5.241 18.672 1.00 16.66 C +ATOM 397 O ALA A 483 -0.296 -4.764 17.898 1.00 16.19 O +ATOM 398 CB ALA A 483 3.019 -4.800 18.311 1.00 17.28 C +ATOM 399 N ALA A 484 0.412 -6.467 19.190 1.00 16.39 N +ATOM 400 CA ALA A 484 -0.725 -7.327 18.825 1.00 16.03 C +ATOM 401 C ALA A 484 -2.076 -6.703 19.216 1.00 15.80 C +ATOM 402 O ALA A 484 -3.033 -6.673 18.422 1.00 15.23 O +ATOM 403 CB ALA A 484 -0.581 -8.719 19.411 1.00 16.61 C +ATOM 404 N ASN A 485 -2.131 -6.182 20.440 1.00 14.63 N +ATOM 405 CA ASN A 485 -3.359 -5.564 20.950 1.00 15.00 C +ATOM 406 C ASN A 485 -3.663 -4.218 20.319 1.00 15.14 C +ATOM 407 O ASN A 485 -4.814 -3.881 20.068 1.00 14.99 O +ATOM 408 CB ASN A 485 -3.283 -5.495 22.479 1.00 14.84 C +ATOM 409 CG ASN A 485 -3.575 -6.840 23.108 1.00 15.64 C +ATOM 410 OD1 ASN A 485 -2.671 -7.640 23.364 1.00 19.23 O +ATOM 411 ND2 ASN A 485 -4.848 -7.103 23.346 1.00 13.68 N +ATOM 412 N LEU A 486 -2.612 -3.472 19.983 1.00 15.17 N +ATOM 413 CA LEU A 486 -2.801 -2.225 19.225 1.00 15.26 C +ATOM 414 C LEU A 486 -3.396 -2.514 17.836 1.00 15.65 C +ATOM 415 O LEU A 486 -4.352 -1.859 17.401 1.00 15.74 O +ATOM 416 CB LEU A 486 -1.483 -1.444 19.112 1.00 15.42 C +ATOM 417 CG LEU A 486 -1.559 -0.049 18.481 1.00 18.31 C +ATOM 418 CD1 LEU A 486 -0.212 0.703 18.657 1.00 17.64 C +ATOM 419 CD2 LEU A 486 -2.719 0.782 19.008 1.00 19.91 C +ATOM 420 N GLN A 487 -2.862 -3.544 17.177 1.00 15.89 N +ATOM 421 CA GLN A 487 -3.402 -3.945 15.880 1.00 16.97 C +ATOM 422 C GLN A 487 -4.895 -4.306 15.999 1.00 17.04 C +ATOM 423 O GLN A 487 -5.720 -3.904 15.167 1.00 17.84 O +ATOM 424 CB GLN A 487 -2.619 -5.153 15.342 1.00 16.98 C +ATOM 425 CG GLN A 487 -3.171 -5.691 14.041 1.00 15.94 C +ATOM 426 CD GLN A 487 -3.157 -4.650 12.921 1.00 18.78 C +ATOM 427 OE1 GLN A 487 -2.259 -3.810 12.859 1.00 19.13 O +ATOM 428 NE2 GLN A 487 -4.146 -4.715 12.022 1.00 19.41 N +ATOM 429 N LYS A 488 -5.236 -5.049 17.050 1.00 17.50 N +ATOM 430 CA LYS A 488 -6.613 -5.483 17.291 1.00 19.05 C +ATOM 431 C LYS A 488 -7.580 -4.305 17.402 1.00 19.62 C +ATOM 432 O LYS A 488 -8.654 -4.299 16.787 1.00 19.52 O +ATOM 433 CB LYS A 488 -6.688 -6.328 18.557 1.00 19.14 C +ATOM 434 CG LYS A 488 -8.098 -6.847 18.823 1.00 19.92 C +ATOM 435 CD LYS A 488 -8.132 -7.799 19.961 1.00 19.20 C +ATOM 436 CE LYS A 488 -9.574 -8.244 20.185 1.00 23.48 C +ATOM 437 NZ LYS A 488 -9.696 -9.418 21.077 1.00 25.72 N +ATOM 438 N ILE A 489 -7.204 -3.325 18.210 1.00 19.70 N +ATOM 439 CA ILE A 489 -8.075 -2.184 18.454 1.00 21.43 C +ATOM 440 C ILE A 489 -8.148 -1.252 17.224 1.00 22.09 C +ATOM 441 O ILE A 489 -9.224 -0.729 16.900 1.00 22.91 O +ATOM 442 CB ILE A 489 -7.700 -1.487 19.785 1.00 21.35 C +ATOM 443 CG1 ILE A 489 -8.822 -0.527 20.231 1.00 23.70 C +ATOM 444 CG2 ILE A 489 -6.318 -0.827 19.699 1.00 21.87 C +ATOM 445 CD1 ILE A 489 -8.879 -0.318 21.706 1.00 25.68 C +ATOM 446 N VAL A 490 -7.037 -1.093 16.502 1.00 22.25 N +ATOM 447 CA VAL A 490 -7.052 -0.199 15.342 1.00 24.32 C +ATOM 448 C VAL A 490 -7.773 -0.741 14.083 1.00 25.91 C +ATOM 449 O VAL A 490 -8.311 0.048 13.291 1.00 27.11 O +ATOM 450 CB VAL A 490 -5.645 0.364 14.977 1.00 24.03 C +ATOM 451 CG1 VAL A 490 -4.704 -0.724 14.554 1.00 25.11 C +ATOM 452 CG2 VAL A 490 -5.081 1.182 16.125 1.00 23.27 C +ATOM 453 N GLU A 491 -7.786 -2.059 13.894 1.00 27.74 N +ATOM 454 CA GLU A 491 -8.388 -2.641 12.680 1.00 30.15 C +ATOM 455 C GLU A 491 -9.923 -2.587 12.706 1.00 31.72 C +ATOM 456 O GLU A 491 -10.570 -2.375 11.667 1.00 32.16 O +ATOM 457 CB GLU A 491 -7.863 -4.050 12.403 1.00 29.60 C +ATOM 458 CG GLU A 491 -8.188 -5.082 13.470 1.00 30.28 C +ATOM 459 CD GLU A 491 -7.356 -6.350 13.350 1.00 30.95 C +ATOM 460 OE1 GLU A 491 -6.451 -6.419 12.473 1.00 32.21 O +ATOM 461 OE2 GLU A 491 -7.610 -7.277 14.154 1.00 31.64 O +ATOM 462 N GLU A 492 -10.489 -2.749 13.894 1.00 33.44 N +ATOM 463 CA GLU A 492 -11.926 -2.547 14.112 1.00 35.49 C +ATOM 464 C GLU A 492 -12.163 -1.710 15.375 1.00 35.86 C +ATOM 465 O GLU A 492 -12.490 -2.264 16.429 1.00 36.37 O +ATOM 466 CB GLU A 492 -12.666 -3.893 14.196 1.00 36.04 C +ATOM 467 CG GLU A 492 -13.569 -4.225 12.985 1.00 38.73 C +ATOM 468 CD GLU A 492 -12.799 -4.761 11.783 1.00 41.56 C +ATOM 469 OE1 GLU A 492 -11.773 -5.462 11.976 1.00 44.88 O +ATOM 470 OE2 GLU A 492 -13.233 -4.494 10.639 1.00 42.41 O +ATOM 471 N PRO A 493 -11.978 -0.370 15.281 1.00 36.28 N +ATOM 472 CA PRO A 493 -12.201 0.543 16.415 1.00 36.58 C +ATOM 473 C PRO A 493 -13.691 0.722 16.719 1.00 37.59 C +ATOM 474 O PRO A 493 -14.053 1.337 17.736 1.00 37.90 O +ATOM 475 CB PRO A 493 -11.602 1.864 15.928 1.00 36.31 C +ATOM 476 CG PRO A 493 -11.708 1.804 14.437 1.00 35.71 C +ATOM 477 CD PRO A 493 -11.529 0.356 14.074 1.00 36.57 C +ATOM 478 N GLN A 494 -14.525 0.205 15.818 1.00 38.14 N +ATOM 479 CA GLN A 494 -15.976 0.149 15.996 1.00 39.50 C +ATOM 480 C GLN A 494 -16.402 -1.020 16.867 1.00 39.75 C +ATOM 481 O GLN A 494 -17.282 -0.875 17.718 1.00 40.59 O +ATOM 482 N SER A 495 -15.793 -2.188 16.649 1.00 40.10 N +ATOM 483 CA SER A 495 -16.034 -3.341 17.511 1.00 39.96 C +ATOM 484 C SER A 495 -15.287 -3.116 18.830 1.00 39.55 C +ATOM 485 O SER A 495 -15.912 -2.813 19.864 1.00 40.14 O +ATOM 486 CB SER A 495 -15.592 -4.646 16.835 1.00 40.06 C +ATOM 487 OG SER A 495 -16.137 -4.773 15.526 1.00 41.98 O +ATOM 488 N ASN A 496 -13.954 -3.195 18.754 1.00 38.37 N +ATOM 489 CA ASN A 496 -13.047 -3.168 19.908 1.00 36.71 C +ATOM 490 C ASN A 496 -12.928 -1.796 20.579 1.00 35.09 C +ATOM 491 O ASN A 496 -12.060 -0.984 20.226 1.00 35.44 O +ATOM 492 CB ASN A 496 -11.652 -3.660 19.498 1.00 37.28 C +ATOM 493 CG ASN A 496 -11.698 -4.865 18.567 1.00 38.83 C +ATOM 494 OD1 ASN A 496 -12.049 -5.970 18.978 1.00 42.22 O +ATOM 495 ND2 ASN A 496 -11.331 -4.656 17.309 1.00 41.53 N +ATOM 496 N ARG A 497 -13.800 -1.533 21.544 1.00 32.52 N +ATOM 497 CA ARG A 497 -13.728 -0.278 22.298 1.00 30.73 C +ATOM 498 C ARG A 497 -12.637 -0.345 23.388 1.00 28.60 C +ATOM 499 O ARG A 497 -12.090 0.682 23.790 1.00 25.88 O +ATOM 500 CB ARG A 497 -15.094 0.070 22.905 1.00 32.30 C +ATOM 501 CG ARG A 497 -16.212 0.366 21.878 1.00 34.19 C +ATOM 502 CD ARG A 497 -16.254 1.850 21.493 1.00 39.12 C +ATOM 503 NE ARG A 497 -16.295 2.700 22.692 1.00 43.02 N +ATOM 504 CZ ARG A 497 -16.053 4.009 22.738 1.00 44.30 C +ATOM 505 NH1 ARG A 497 -15.753 4.698 21.639 1.00 43.78 N +ATOM 506 NH2 ARG A 497 -16.122 4.635 23.910 1.00 45.62 N +ATOM 507 N SER A 498 -12.332 -1.560 23.855 1.00 26.03 N +ATOM 508 CA SER A 498 -11.341 -1.754 24.920 1.00 24.66 C +ATOM 509 C SER A 498 -10.735 -3.149 24.798 1.00 22.49 C +ATOM 510 O SER A 498 -11.444 -4.123 24.537 1.00 21.66 O +ATOM 511 CB SER A 498 -11.989 -1.621 26.293 1.00 25.63 C +ATOM 512 OG SER A 498 -11.002 -1.641 27.292 1.00 27.32 O +ATOM 513 N VAL A 499 -9.424 -3.229 24.953 1.00 21.17 N +ATOM 514 CA VAL A 499 -8.742 -4.513 25.062 1.00 19.95 C +ATOM 515 C VAL A 499 -7.813 -4.508 26.290 1.00 19.08 C +ATOM 516 O VAL A 499 -7.039 -3.579 26.462 1.00 18.23 O +ATOM 517 CB VAL A 499 -7.995 -4.908 23.752 1.00 21.04 C +ATOM 518 CG1 VAL A 499 -6.937 -3.863 23.321 1.00 21.35 C +ATOM 519 CG2 VAL A 499 -8.998 -5.141 22.615 1.00 22.55 C +ATOM 520 N THR A 500 -7.895 -5.550 27.121 1.00 17.74 N +ATOM 521 CA THR A 500 -7.042 -5.664 28.285 1.00 18.17 C +ATOM 522 C THR A 500 -6.150 -6.890 28.076 1.00 17.79 C +ATOM 523 O THR A 500 -6.623 -7.940 27.640 1.00 17.43 O +ATOM 524 CB THR A 500 -7.871 -5.805 29.592 1.00 18.88 C +ATOM 525 OG1 THR A 500 -8.706 -4.634 29.768 1.00 18.89 O +ATOM 526 CG2 THR A 500 -6.950 -5.965 30.795 1.00 18.96 C +ATOM 527 N PHE A 501 -4.864 -6.738 28.352 1.00 17.26 N +ATOM 528 CA PHE A 501 -3.889 -7.783 27.993 1.00 17.03 C +ATOM 529 C PHE A 501 -2.762 -7.860 29.001 1.00 17.22 C +ATOM 530 O PHE A 501 -2.437 -6.877 29.681 1.00 15.84 O +ATOM 531 CB PHE A 501 -3.338 -7.537 26.592 1.00 16.69 C +ATOM 532 CG PHE A 501 -2.757 -6.149 26.420 1.00 17.01 C +ATOM 533 CD1 PHE A 501 -3.558 -5.102 25.949 1.00 18.26 C +ATOM 534 CD2 PHE A 501 -1.431 -5.896 26.768 1.00 15.90 C +ATOM 535 CE1 PHE A 501 -3.018 -3.814 25.802 1.00 19.14 C +ATOM 536 CE2 PHE A 501 -0.881 -4.623 26.647 1.00 16.50 C +ATOM 537 CZ PHE A 501 -1.675 -3.575 26.147 1.00 15.96 C +ATOM 538 N LYS A 502 -2.207 -9.064 29.122 1.00 17.16 N +ATOM 539 CA LYS A 502 -1.052 -9.325 29.955 1.00 18.14 C +ATOM 540 C LYS A 502 0.189 -8.565 29.486 1.00 19.05 C +ATOM 541 O LYS A 502 0.401 -8.355 28.258 1.00 20.74 O +ATOM 542 CB LYS A 502 -0.693 -10.799 29.921 1.00 17.83 C +ATOM 543 CG LYS A 502 -1.707 -11.729 30.480 1.00 19.97 C +ATOM 544 CD LYS A 502 -1.036 -13.109 30.555 1.00 22.44 C +ATOM 545 CE LYS A 502 -1.961 -14.173 31.117 1.00 24.65 C +ATOM 546 NZ LYS A 502 -1.350 -15.536 30.940 1.00 22.06 N +ATOM 547 N LEU A 503 1.002 -8.193 30.466 1.00 19.43 N +ATOM 548 CA LEU A 503 2.356 -7.702 30.239 1.00 19.18 C +ATOM 549 C LEU A 503 3.378 -8.818 30.459 1.00 19.02 C +ATOM 550 O LEU A 503 3.450 -9.419 31.545 1.00 18.65 O +ATOM 551 CB LEU A 503 2.664 -6.497 31.151 1.00 20.19 C +ATOM 552 CG LEU A 503 1.800 -5.253 30.909 1.00 21.19 C +ATOM 553 CD1 LEU A 503 2.135 -4.152 31.889 1.00 21.96 C +ATOM 554 CD2 LEU A 503 1.929 -4.758 29.455 1.00 22.11 C +ATOM 555 N ALA A 504 4.171 -9.109 29.431 1.00 18.76 N +ATOM 556 CA ALA A 504 5.336 -9.998 29.607 1.00 20.09 C +ATOM 557 C ALA A 504 6.236 -9.568 30.790 1.00 20.78 C +ATOM 558 O ALA A 504 6.712 -10.407 31.580 1.00 20.97 O +ATOM 559 CB ALA A 504 6.142 -10.087 28.309 1.00 20.19 C +ATOM 560 N SER A 505 6.440 -8.255 30.923 1.00 20.77 N +ATOM 561 CA SER A 505 7.240 -7.691 32.020 1.00 20.64 C +ATOM 562 C SER A 505 6.690 -7.948 33.424 1.00 22.23 C +ATOM 563 O SER A 505 7.451 -7.891 34.405 1.00 23.70 O +ATOM 564 CB SER A 505 7.422 -6.185 31.826 1.00 21.37 C +ATOM 565 OG SER A 505 6.159 -5.551 31.716 1.00 18.62 O +ATOM 566 N GLY A 506 5.381 -8.191 33.535 1.00 22.21 N +ATOM 567 CA GLY A 506 4.771 -8.403 34.857 1.00 23.93 C +ATOM 568 C GLY A 506 4.559 -9.854 35.275 1.00 25.28 C +ATOM 569 O GLY A 506 3.980 -10.120 36.329 1.00 24.86 O +ATOM 570 N VAL A 507 4.988 -10.793 34.433 1.00 26.84 N +ATOM 571 CA VAL A 507 4.706 -12.213 34.653 1.00 28.56 C +ATOM 572 C VAL A 507 5.129 -12.766 36.039 1.00 30.76 C +ATOM 573 O VAL A 507 4.348 -13.486 36.695 1.00 30.89 O +ATOM 574 CB VAL A 507 5.195 -13.074 33.459 1.00 28.14 C +ATOM 575 CG1 VAL A 507 5.123 -14.563 33.782 1.00 29.01 C +ATOM 576 CG2 VAL A 507 4.329 -12.767 32.261 1.00 26.35 C +ATOM 577 N GLU A 508 6.323 -12.396 36.498 1.00 32.72 N +ATOM 578 CA GLU A 508 6.790 -12.812 37.834 1.00 35.98 C +ATOM 579 C GLU A 508 7.242 -11.706 38.778 1.00 37.75 C +ATOM 580 O GLU A 508 7.755 -11.991 39.868 1.00 39.03 O +ATOM 581 N GLY A 509 7.023 -10.447 38.390 1.00 38.95 N +ATOM 582 CA GLY A 509 7.732 -9.308 38.990 1.00 39.94 C +ATOM 583 C GLY A 509 7.254 -8.806 40.374 1.00 40.31 C +ATOM 584 O GLY A 509 6.872 -7.632 40.529 1.00 40.81 O +ATOM 585 N SER A 510 7.295 -9.691 41.374 1.00 40.66 N +ATOM 586 CA SER A 510 7.115 -9.299 42.785 1.00 39.58 C +ATOM 587 C SER A 510 5.670 -9.130 43.229 1.00 39.18 C +ATOM 588 O SER A 510 5.333 -9.433 44.385 1.00 40.14 O +ATOM 589 N ASP A 511 4.825 -8.637 42.314 1.00 37.25 N +ATOM 590 CA ASP A 511 3.382 -8.570 42.511 1.00 34.87 C +ATOM 591 C ASP A 511 2.676 -9.548 41.585 1.00 32.68 C +ATOM 592 O ASP A 511 2.969 -9.594 40.387 1.00 31.77 O +ATOM 593 CB ASP A 511 2.864 -7.183 42.170 1.00 35.33 C +ATOM 594 CG ASP A 511 3.299 -6.145 43.147 1.00 36.66 C +ATOM 595 OD1 ASP A 511 3.324 -6.410 44.372 1.00 36.95 O +ATOM 596 OD2 ASP A 511 3.599 -5.038 42.671 1.00 37.84 O +ATOM 597 N ILE A 512 1.714 -10.292 42.123 1.00 29.49 N +ATOM 598 CA ILE A 512 0.997 -11.271 41.312 1.00 27.61 C +ATOM 599 C ILE A 512 0.110 -10.537 40.309 1.00 25.07 C +ATOM 600 O ILE A 512 -0.587 -9.589 40.684 1.00 23.27 O +ATOM 601 CB ILE A 512 0.149 -12.248 42.183 1.00 27.84 C +ATOM 602 CG1 ILE A 512 1.066 -13.272 42.869 1.00 29.93 C +ATOM 603 CG2 ILE A 512 -0.903 -12.962 41.355 1.00 29.65 C +ATOM 604 CD1 ILE A 512 1.683 -12.772 44.153 1.00 31.85 C +ATOM 605 N PRO A 513 0.151 -10.963 39.031 1.00 23.70 N +ATOM 606 CA PRO A 513 -0.725 -10.344 38.018 1.00 22.33 C +ATOM 607 C PRO A 513 -2.190 -10.346 38.429 1.00 21.98 C +ATOM 608 O PRO A 513 -2.694 -11.329 39.006 1.00 21.51 O +ATOM 609 CB PRO A 513 -0.507 -11.228 36.777 1.00 22.71 C +ATOM 610 CG PRO A 513 0.915 -11.722 36.953 1.00 22.75 C +ATOM 611 CD PRO A 513 1.021 -11.995 38.435 1.00 24.16 C +ATOM 612 N ASP A 514 -2.857 -9.235 38.140 1.00 20.18 N +ATOM 613 CA ASP A 514 -4.258 -9.069 38.481 1.00 20.90 C +ATOM 614 C ASP A 514 -4.881 -8.141 37.453 1.00 20.29 C +ATOM 615 O ASP A 514 -4.591 -6.935 37.440 1.00 20.36 O +ATOM 616 CB ASP A 514 -4.380 -8.490 39.888 1.00 20.08 C +ATOM 617 CG ASP A 514 -5.824 -8.370 40.351 1.00 21.71 C +ATOM 618 OD1 ASP A 514 -6.686 -7.992 39.548 1.00 20.62 O +ATOM 619 OD2 ASP A 514 -6.088 -8.642 41.538 1.00 24.67 O +ATOM 620 N ASP A 515 -5.717 -8.700 36.582 1.00 20.45 N +ATOM 621 CA ASP A 515 -6.304 -7.909 35.491 1.00 21.72 C +ATOM 622 C ASP A 515 -7.257 -6.822 35.991 1.00 21.07 C +ATOM 623 O ASP A 515 -7.220 -5.712 35.430 1.00 20.42 O +ATOM 624 CB ASP A 515 -6.955 -8.782 34.420 1.00 22.61 C +ATOM 625 CG ASP A 515 -8.199 -9.488 34.919 1.00 25.68 C +ATOM 626 OD1 ASP A 515 -8.108 -10.159 35.964 1.00 28.67 O +ATOM 627 OD2 ASP A 515 -9.262 -9.346 34.272 1.00 31.12 O +ATOM 628 N GLY A 516 -8.067 -7.142 37.029 1.00 20.93 N +ATOM 629 CA GLY A 516 -8.922 -6.175 37.820 1.00 21.09 C +ATOM 630 C GLY A 516 -8.193 -4.849 37.907 1.00 19.68 C +ATOM 631 O GLY A 516 -8.798 -3.782 37.776 1.00 18.28 O +ATOM 632 N LYS A 517 -6.925 -4.856 38.277 1.00 19.91 N +ATOM 633 CA LYS A 517 -6.320 -3.981 39.272 1.00 19.01 C +ATOM 634 C LYS A 517 -5.261 -3.390 38.278 1.00 18.49 C +ATOM 635 O LYS A 517 -4.465 -2.510 38.609 1.00 18.38 O +ATOM 636 CB LYS A 517 -5.632 -4.691 40.422 1.00 18.97 C +ATOM 637 CG LYS A 517 -6.595 -5.092 41.530 1.00 22.55 C +ATOM 638 CD LYS A 517 -5.799 -5.448 42.775 1.00 24.60 C +ATOM 639 CE LYS A 517 -6.640 -6.320 43.718 1.00 28.56 C +ATOM 640 NZ LYS A 517 -5.735 -7.004 44.671 1.00 30.76 N +ATOM 641 N LEU A 518 -5.253 -3.934 37.048 1.00 17.95 N +ATOM 642 CA LEU A 518 -4.191 -3.652 36.059 1.00 16.91 C +ATOM 643 C LEU A 518 -2.783 -3.717 36.691 1.00 17.07 C +ATOM 644 O LEU A 518 -1.983 -2.763 36.644 1.00 16.26 O +ATOM 645 CB LEU A 518 -4.431 -2.344 35.283 1.00 17.42 C +ATOM 646 CG LEU A 518 -5.652 -2.315 34.341 1.00 18.03 C +ATOM 647 CD1 LEU A 518 -5.761 -0.965 33.693 1.00 16.99 C +ATOM 648 CD2 LEU A 518 -5.694 -3.429 33.294 1.00 17.35 C +ATOM 649 N ILE A 519 -2.517 -4.866 37.307 1.00 16.35 N +ATOM 650 CA ILE A 519 -1.173 -5.197 37.800 1.00 17.59 C +ATOM 651 C ILE A 519 -0.635 -6.303 36.891 1.00 17.18 C +ATOM 652 O ILE A 519 -1.207 -7.405 36.857 1.00 17.58 O +ATOM 653 CB ILE A 519 -1.203 -5.680 39.273 1.00 17.96 C +ATOM 654 CG1 ILE A 519 -1.729 -4.564 40.198 1.00 19.02 C +ATOM 655 CG2 ILE A 519 0.172 -6.184 39.703 1.00 18.62 C +ATOM 656 CD1 ILE A 519 -2.117 -5.053 41.614 1.00 19.11 C +ATOM 657 N GLY A 520 0.457 -6.035 36.165 1.00 17.37 N +ATOM 658 CA GLY A 520 0.908 -7.041 35.187 1.00 16.42 C +ATOM 659 C GLY A 520 0.004 -7.152 33.968 1.00 16.36 C +ATOM 660 O GLY A 520 0.175 -8.054 33.148 1.00 16.99 O +ATOM 661 N PHE A 521 -0.933 -6.209 33.838 1.00 15.61 N +ATOM 662 CA PHE A 521 -1.817 -6.064 32.667 1.00 15.66 C +ATOM 663 C PHE A 521 -1.881 -4.592 32.295 1.00 15.65 C +ATOM 664 O PHE A 521 -1.667 -3.713 33.142 1.00 16.66 O +ATOM 665 CB PHE A 521 -3.243 -6.510 33.006 1.00 15.33 C +ATOM 666 CG PHE A 521 -3.428 -8.015 33.074 1.00 16.29 C +ATOM 667 CD1 PHE A 521 -2.998 -8.737 34.186 1.00 17.82 C +ATOM 668 CD2 PHE A 521 -4.102 -8.694 32.047 1.00 19.41 C +ATOM 669 CE1 PHE A 521 -3.194 -10.144 34.266 1.00 15.98 C +ATOM 670 CE2 PHE A 521 -4.308 -10.099 32.118 1.00 16.15 C +ATOM 671 CZ PHE A 521 -3.859 -10.809 33.240 1.00 16.65 C +ATOM 672 N ALA A 522 -2.220 -4.328 31.037 1.00 15.26 N +ATOM 673 CA ALA A 522 -2.495 -2.971 30.583 1.00 15.67 C +ATOM 674 C ALA A 522 -3.767 -2.987 29.763 1.00 16.08 C +ATOM 675 O ALA A 522 -4.286 -4.060 29.417 1.00 15.13 O +ATOM 676 CB ALA A 522 -1.333 -2.402 29.782 1.00 15.57 C +ATOM 677 N GLN A 523 -4.283 -1.812 29.446 1.00 16.47 N +ATOM 678 CA GLN A 523 -5.522 -1.722 28.699 1.00 16.43 C +ATOM 679 C GLN A 523 -5.457 -0.621 27.646 1.00 16.76 C +ATOM 680 O GLN A 523 -5.072 0.516 27.942 1.00 17.39 O +ATOM 681 CB GLN A 523 -6.715 -1.494 29.640 1.00 16.51 C +ATOM 682 CG GLN A 523 -8.031 -1.316 28.942 1.00 17.31 C +ATOM 683 CD GLN A 523 -9.114 -0.910 29.893 1.00 19.73 C +ATOM 684 OE1 GLN A 523 -9.350 0.286 30.069 1.00 20.67 O +ATOM 685 NE2 GLN A 523 -9.744 -1.894 30.568 1.00 20.15 N +ATOM 686 N LEU A 524 -5.848 -0.965 26.429 1.00 16.21 N +ATOM 687 CA LEU A 524 -5.914 0.004 25.335 1.00 16.23 C +ATOM 688 C LEU A 524 -7.390 0.219 25.080 1.00 16.70 C +ATOM 689 O LEU A 524 -8.174 -0.744 25.051 1.00 15.95 O +ATOM 690 CB LEU A 524 -5.263 -0.581 24.070 1.00 17.07 C +ATOM 691 CG LEU A 524 -3.777 -0.302 23.906 1.00 17.90 C +ATOM 692 CD1 LEU A 524 -3.137 -1.236 22.868 1.00 20.20 C +ATOM 693 CD2 LEU A 524 -3.562 1.191 23.519 1.00 18.62 C +ATOM 694 N SER A 525 -7.779 1.479 24.891 1.00 17.45 N +ATOM 695 CA SER A 525 -9.171 1.800 24.689 1.00 17.63 C +ATOM 696 C SER A 525 -9.334 2.992 23.763 1.00 18.36 C +ATOM 697 O SER A 525 -8.412 3.788 23.588 1.00 17.36 O +ATOM 698 CB SER A 525 -9.862 2.069 26.036 1.00 17.79 C +ATOM 699 OG SER A 525 -9.327 3.199 26.656 1.00 19.52 O +ATOM 700 N ILE A 526 -10.520 3.088 23.173 1.00 19.00 N +ATOM 701 CA ILE A 526 -10.866 4.233 22.324 1.00 20.31 C +ATOM 702 C ILE A 526 -11.260 5.361 23.293 1.00 20.06 C +ATOM 703 O ILE A 526 -12.007 5.124 24.252 1.00 20.63 O +ATOM 704 CB ILE A 526 -12.057 3.895 21.404 1.00 21.00 C +ATOM 705 CG1 ILE A 526 -11.744 2.733 20.450 1.00 23.10 C +ATOM 706 CG2 ILE A 526 -12.517 5.136 20.607 1.00 21.68 C +ATOM 707 CD1 ILE A 526 -10.523 2.933 19.602 1.00 25.31 C +ATOM 708 N SER A 527 -10.768 6.575 23.043 1.00 20.21 N +ATOM 709 CA SER A 527 -11.074 7.727 23.889 1.00 21.13 C +ATOM 710 C SER A 527 -12.585 7.980 23.956 1.00 20.74 C +ATOM 711 O SER A 527 -13.286 7.917 22.955 1.00 21.46 O +ATOM 712 CB SER A 527 -10.357 8.980 23.368 1.00 21.40 C +ATOM 713 OG SER A 527 -10.625 10.104 24.211 1.00 23.46 O +ATOM 714 OXT SER A 527 -13.159 8.227 25.030 1.00 22.19 O +ATOM 716 N GLY D1003 6.258 13.877 21.281 1.00 37.61 N +ATOM 717 CA GLY D1003 5.046 14.634 20.852 1.00 37.02 C +ATOM 718 C GLY D1003 3.828 13.743 20.724 1.00 36.42 C +ATOM 719 O GLY D1003 2.704 14.185 20.935 1.00 36.36 O +ATOM 720 N ARG D1004 4.062 12.481 20.365 1.00 36.23 N +ATOM 721 CA ARG D1004 3.001 11.507 20.185 1.00 35.79 C +ATOM 722 C ARG D1004 2.122 11.346 21.443 1.00 35.43 C +ATOM 723 O ARG D1004 0.898 11.299 21.341 1.00 34.79 O +ATOM 724 CB ARG D1004 3.622 10.165 19.771 1.00 36.11 C +ATOM 725 CG ARG D1004 2.631 9.081 19.484 1.00 36.16 C +ATOM 726 CD ARG D1004 3.034 8.318 18.246 1.00 36.78 C +ATOM 727 NE ARG D1004 1.863 8.188 17.431 1.00 37.96 N +ATOM 728 CZ ARG D1004 1.822 7.974 16.129 1.00 34.21 C +ATOM 729 NH1 ARG D1004 2.926 7.833 15.378 1.00 30.41 N +ATOM 730 NH2 ARG D1004 0.626 7.908 15.593 1.00 32.61 N +ATOM 731 N PHE D1005 2.757 11.278 22.612 1.00 35.67 N +ATOM 732 CA PHE D1005 2.081 10.835 23.844 1.00 36.06 C +ATOM 733 C PHE D1005 1.902 11.919 24.893 1.00 37.24 C +ATOM 734 O PHE D1005 2.764 12.784 25.066 1.00 37.28 O +ATOM 735 CB PHE D1005 2.817 9.638 24.472 1.00 35.54 C +ATOM 736 CG PHE D1005 3.160 8.558 23.487 1.00 33.19 C +ATOM 737 CD1 PHE D1005 2.185 7.684 23.034 1.00 31.32 C +ATOM 738 CD2 PHE D1005 4.462 8.439 22.990 1.00 30.62 C +ATOM 739 CE1 PHE D1005 2.494 6.701 22.099 1.00 31.06 C +ATOM 740 CE2 PHE D1005 4.781 7.468 22.065 1.00 30.79 C +ATOM 741 CZ PHE D1005 3.801 6.587 21.616 1.00 32.30 C +ATOM 742 N GLN D1006 0.777 11.846 25.598 1.00 38.04 N +ATOM 743 CA GLN D1006 0.494 12.737 26.720 1.00 39.21 C +ATOM 744 C GLN D1006 -0.059 11.933 27.900 1.00 39.21 C +ATOM 745 O GLN D1006 -1.160 11.373 27.835 1.00 38.04 O +ATOM 746 CB GLN D1006 -0.452 13.871 26.307 1.00 39.30 C +ATOM 747 CG GLN D1006 -1.660 13.438 25.524 1.00 40.82 C +ATOM 748 CD GLN D1006 -2.461 14.604 24.981 1.00 41.20 C +ATOM 749 OE1 GLN D1006 -2.688 14.706 23.772 1.00 43.97 O +ATOM 750 NE2 GLN D1006 -2.893 15.492 25.871 1.00 43.80 N +ATOM 751 N VAL D1007 0.721 11.914 28.978 1.00 39.64 N +ATOM 752 CA VAL D1007 0.598 10.906 30.035 1.00 40.32 C +ATOM 753 C VAL D1007 -0.540 11.214 31.007 1.00 40.46 C +ATOM 754 O VAL D1007 -0.864 10.407 31.882 1.00 40.22 O +ATOM 755 CB VAL D1007 1.945 10.723 30.799 1.00 40.30 C +ATOM 756 CG1 VAL D1007 1.984 9.377 31.504 1.00 40.20 C +ATOM 757 CG2 VAL D1007 3.141 10.850 29.839 1.00 41.14 C Added: SwiftApps/modFTdock/input/2v3s-2.pdb =================================================================== --- SwiftApps/modFTdock/input/2v3s-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/2v3s-2.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,772 @@ +ATOM 1 N GLY B 432 9.707 -28.559 -7.571 1.00 35.03 N +ATOM 2 CA GLY B 432 9.538 -29.724 -6.670 1.00 34.28 C +ATOM 3 C GLY B 432 9.634 -31.092 -7.308 1.00 33.60 C +ATOM 4 O GLY B 432 10.203 -31.234 -8.416 1.00 35.52 O +ATOM 5 N PRO B 433 9.089 -32.114 -6.625 1.00 32.41 N +ATOM 6 CA PRO B 433 8.369 -32.001 -5.333 1.00 30.47 C +ATOM 7 C PRO B 433 9.227 -31.446 -4.187 1.00 28.80 C +ATOM 8 O PRO B 433 10.372 -31.896 -3.987 1.00 27.57 O +ATOM 9 CB PRO B 433 7.977 -33.437 -5.035 1.00 31.18 C +ATOM 10 CG PRO B 433 8.948 -34.268 -5.811 1.00 32.15 C +ATOM 11 CD PRO B 433 9.138 -33.511 -7.080 1.00 33.03 C +ATOM 12 N ILE B 434 8.668 -30.461 -3.473 1.00 25.99 N +ATOM 13 CA ILE B 434 9.341 -29.729 -2.401 1.00 24.69 C +ATOM 14 C ILE B 434 8.869 -30.375 -1.100 1.00 23.57 C +ATOM 15 O ILE B 434 7.680 -30.621 -0.933 1.00 22.74 O +ATOM 16 CB ILE B 434 8.945 -28.209 -2.388 1.00 24.89 C +ATOM 17 CG1 ILE B 434 9.100 -27.578 -3.780 1.00 25.32 C +ATOM 18 CG2 ILE B 434 9.740 -27.424 -1.322 1.00 24.40 C +ATOM 19 CD1 ILE B 434 8.405 -26.229 -3.958 1.00 25.93 C +ATOM 20 N SER B 435 9.799 -30.641 -0.188 1.00 22.20 N +ATOM 21 CA SER B 435 9.465 -31.239 1.098 1.00 21.71 C +ATOM 22 C SER B 435 9.382 -30.088 2.094 1.00 20.28 C +ATOM 23 O SER B 435 10.378 -29.397 2.320 1.00 20.68 O +ATOM 24 CB SER B 435 10.542 -32.247 1.524 1.00 22.63 C +ATOM 25 OG SER B 435 10.504 -33.424 0.712 1.00 27.65 O +ATOM 26 N LEU B 436 8.179 -29.872 2.624 1.00 19.52 N +ATOM 27 CA LEU B 436 7.914 -28.764 3.591 1.00 18.53 C +ATOM 28 C LEU B 436 7.605 -29.275 4.987 1.00 18.09 C +ATOM 29 O LEU B 436 7.104 -30.378 5.177 1.00 18.17 O +ATOM 30 CB LEU B 436 6.753 -27.906 3.107 1.00 18.47 C +ATOM 31 CG LEU B 436 6.978 -27.197 1.772 1.00 17.81 C +ATOM 32 CD1 LEU B 436 5.739 -26.456 1.372 1.00 20.84 C +ATOM 33 CD2 LEU B 436 8.159 -26.236 1.905 1.00 21.35 C +ATOM 34 N VAL B 437 7.901 -28.447 5.977 1.00 17.67 N +ATOM 35 CA VAL B 437 7.472 -28.745 7.333 1.00 18.33 C +ATOM 36 C VAL B 437 6.877 -27.459 7.902 1.00 17.97 C +ATOM 37 O VAL B 437 7.527 -26.421 7.875 1.00 17.42 O +ATOM 38 CB VAL B 437 8.655 -29.220 8.207 1.00 19.46 C +ATOM 39 CG1 VAL B 437 8.167 -29.544 9.615 1.00 19.87 C +ATOM 40 CG2 VAL B 437 9.354 -30.418 7.559 1.00 20.05 C +ATOM 41 N LEU B 438 5.627 -27.559 8.350 1.00 18.29 N +ATOM 42 CA LEU B 438 4.932 -26.482 9.088 1.00 18.13 C +ATOM 43 C LEU B 438 4.949 -26.883 10.554 1.00 18.01 C +ATOM 44 O LEU B 438 4.447 -27.950 10.909 1.00 18.11 O +ATOM 45 CB LEU B 438 3.487 -26.329 8.604 1.00 18.52 C +ATOM 46 CG LEU B 438 2.607 -25.272 9.303 1.00 18.52 C +ATOM 47 CD1 LEU B 438 3.164 -23.874 9.010 1.00 17.09 C +ATOM 48 CD2 LEU B 438 1.112 -25.390 8.918 1.00 19.00 C +ATOM 49 N ARG B 439 5.509 -26.007 11.377 1.00 17.39 N +ATOM 50 CA ARG B 439 5.723 -26.263 12.765 1.00 17.70 C +ATOM 51 C ARG B 439 4.926 -25.228 13.578 1.00 17.42 C +ATOM 52 O ARG B 439 5.055 -24.009 13.382 1.00 15.78 O +ATOM 53 CB ARG B 439 7.211 -26.174 13.049 1.00 19.49 C +ATOM 54 CG ARG B 439 7.504 -25.871 14.450 1.00 23.29 C +ATOM 55 CD ARG B 439 7.937 -27.086 15.095 1.00 31.02 C +ATOM 56 NE ARG B 439 9.184 -26.862 15.809 1.00 33.63 N +ATOM 57 CZ ARG B 439 9.927 -27.851 16.284 1.00 36.55 C +ATOM 58 NH1 ARG B 439 9.545 -29.108 16.081 1.00 36.36 N +ATOM 59 NH2 ARG B 439 11.043 -27.587 16.947 1.00 38.28 N +ATOM 60 N LEU B 440 4.051 -25.736 14.439 1.00 16.81 N +ATOM 61 CA LEU B 440 3.209 -24.879 15.249 1.00 17.56 C +ATOM 62 C LEU B 440 2.595 -25.703 16.358 1.00 17.11 C +ATOM 63 O LEU B 440 2.675 -26.931 16.347 1.00 17.70 O +ATOM 64 CB LEU B 440 2.086 -24.201 14.458 1.00 17.02 C +ATOM 65 CG LEU B 440 1.198 -24.781 13.350 1.00 21.16 C +ATOM 66 CD1 LEU B 440 -0.155 -24.038 13.298 1.00 22.30 C +ATOM 67 CD2 LEU B 440 1.043 -26.250 13.331 1.00 23.06 C +ATOM 68 N ARG B 441 1.998 -25.006 17.304 1.00 17.41 N +ATOM 69 CA ARG B 441 1.347 -25.680 18.435 1.00 16.19 C +ATOM 70 C ARG B 441 -0.103 -26.043 18.145 1.00 16.77 C +ATOM 71 O ARG B 441 -0.894 -25.235 17.608 1.00 16.80 O +ATOM 72 CB ARG B 441 1.433 -24.826 19.698 1.00 17.01 C +ATOM 73 CG ARG B 441 2.854 -24.515 20.088 1.00 14.32 C +ATOM 74 CD ARG B 441 2.941 -23.765 21.398 1.00 13.89 C +ATOM 75 NE ARG B 441 4.352 -23.557 21.747 1.00 15.74 N +ATOM 76 CZ ARG B 441 5.059 -24.383 22.515 1.00 18.62 C +ATOM 77 NH1 ARG B 441 4.479 -25.480 22.999 1.00 16.68 N +ATOM 78 NH2 ARG B 441 6.344 -24.133 22.774 1.00 19.41 N +ATOM 79 N ASN B 442 -0.459 -27.265 18.497 1.00 16.52 N +ATOM 80 CA ASN B 442 -1.870 -27.647 18.362 1.00 16.88 C +ATOM 81 C ASN B 442 -2.719 -26.967 19.467 1.00 17.43 C +ATOM 82 O ASN B 442 -2.190 -26.179 20.275 1.00 17.39 O +ATOM 83 CB ASN B 442 -2.010 -29.173 18.321 1.00 17.00 C +ATOM 84 CG ASN B 442 -1.689 -29.834 19.626 1.00 17.48 C +ATOM 85 OD1 ASN B 442 -1.544 -29.174 20.662 1.00 16.84 O +ATOM 86 ND2 ASN B 442 -1.587 -31.179 19.596 1.00 16.83 N +ATOM 87 N SER B 443 -4.017 -27.255 19.504 1.00 18.52 N +ATOM 88 CA SER B 443 -4.939 -26.603 20.439 1.00 18.65 C +ATOM 89 C SER B 443 -4.601 -26.949 21.894 1.00 18.51 C +ATOM 90 O SER B 443 -4.830 -26.156 22.816 1.00 19.50 O +ATOM 91 CB SER B 443 -6.369 -27.009 20.109 1.00 20.07 C +ATOM 92 OG SER B 443 -6.719 -26.627 18.782 1.00 18.38 O +ATOM 93 N LYS B 444 -4.020 -28.129 22.081 1.00 17.37 N +ATOM 94 CA LYS B 444 -3.554 -28.578 23.372 1.00 18.22 C +ATOM 95 C LYS B 444 -2.222 -27.910 23.789 1.00 18.09 C +ATOM 96 O LYS B 444 -1.747 -28.110 24.917 1.00 18.39 O +ATOM 97 CB LYS B 444 -3.395 -30.095 23.310 1.00 17.87 C +ATOM 98 CG LYS B 444 -3.340 -30.777 24.636 1.00 20.07 C +ATOM 99 CD LYS B 444 -3.245 -32.270 24.398 1.00 19.45 C +ATOM 100 CE LYS B 444 -2.943 -32.996 25.681 1.00 20.57 C +ATOM 101 NZ LYS B 444 -2.717 -34.416 25.353 1.00 21.44 N +ATOM 102 N LYS B 445 -1.642 -27.129 22.868 1.00 17.63 N +ATOM 103 CA LYS B 445 -0.394 -26.348 23.071 1.00 17.99 C +ATOM 104 C LYS B 445 0.855 -27.169 22.824 1.00 18.18 C +ATOM 105 O LYS B 445 1.979 -26.702 23.042 1.00 18.71 O +ATOM 106 CB LYS B 445 -0.344 -25.702 24.455 1.00 18.88 C +ATOM 107 CG LYS B 445 -1.517 -24.791 24.712 1.00 18.93 C +ATOM 108 CD LYS B 445 -1.377 -24.067 26.019 1.00 21.50 C +ATOM 109 CE LYS B 445 -2.615 -23.201 26.282 1.00 22.59 C +ATOM 110 NZ LYS B 445 -2.391 -22.355 27.498 1.00 27.79 N +ATOM 111 N GLU B 446 0.666 -28.388 22.339 1.00 17.31 N +ATOM 112 CA GLU B 446 1.803 -29.244 21.964 1.00 19.14 C +ATOM 113 C GLU B 446 2.453 -28.813 20.649 1.00 19.18 C +ATOM 114 O GLU B 446 1.758 -28.592 19.676 1.00 18.55 O +ATOM 115 CB GLU B 446 1.325 -30.685 21.812 1.00 18.88 C +ATOM 116 CG GLU B 446 0.757 -31.262 23.115 1.00 20.29 C +ATOM 117 CD GLU B 446 -0.007 -32.566 22.929 1.00 22.00 C +ATOM 118 OE1 GLU B 446 -0.568 -32.823 21.816 1.00 20.05 O +ATOM 119 OE2 GLU B 446 -0.051 -33.318 23.949 1.00 22.85 O +ATOM 120 N LEU B 447 3.783 -28.747 20.619 1.00 19.14 N +ATOM 121 CA LEU B 447 4.479 -28.425 19.387 1.00 20.18 C +ATOM 122 C LEU B 447 4.468 -29.623 18.418 1.00 20.30 C +ATOM 123 O LEU B 447 4.815 -30.772 18.794 1.00 20.07 O +ATOM 124 CB LEU B 447 5.906 -27.971 19.700 1.00 20.31 C +ATOM 125 CG LEU B 447 6.680 -27.090 18.730 1.00 23.49 C +ATOM 126 CD1 LEU B 447 6.055 -25.706 18.625 1.00 22.52 C +ATOM 127 CD2 LEU B 447 8.148 -27.012 19.213 1.00 23.53 C +ATOM 128 N ASN B 448 4.050 -29.354 17.186 1.00 20.29 N +ATOM 129 CA ASN B 448 4.000 -30.376 16.139 1.00 20.74 C +ATOM 130 C ASN B 448 4.776 -29.961 14.909 1.00 21.07 C +ATOM 131 O ASN B 448 4.862 -28.771 14.612 1.00 19.40 O +ATOM 132 CB ASN B 448 2.568 -30.661 15.681 1.00 21.25 C +ATOM 133 CG ASN B 448 1.715 -31.318 16.731 1.00 24.39 C +ATOM 134 OD1 ASN B 448 2.197 -32.092 17.579 1.00 27.08 O +ATOM 135 ND2 ASN B 448 0.420 -31.047 16.659 1.00 23.44 N +ATOM 136 N ASP B 449 5.343 -30.955 14.216 1.00 21.34 N +ATOM 137 CA ASP B 449 5.870 -30.776 12.856 1.00 22.66 C +ATOM 138 C ASP B 449 4.880 -31.451 11.939 1.00 22.23 C +ATOM 139 O ASP B 449 4.522 -32.612 12.150 1.00 22.56 O +ATOM 140 CB ASP B 449 7.249 -31.411 12.681 1.00 23.38 C +ATOM 141 CG ASP B 449 8.321 -30.676 13.442 1.00 24.72 C +ATOM 142 OD1 ASP B 449 8.544 -29.473 13.167 1.00 23.36 O +ATOM 143 OD2 ASP B 449 8.942 -31.315 14.317 1.00 30.34 O +ATOM 144 N ILE B 450 4.433 -30.709 10.931 1.00 21.50 N +ATOM 145 CA ILE B 450 3.476 -31.193 9.958 1.00 20.95 C +ATOM 146 C ILE B 450 4.212 -31.233 8.627 1.00 21.11 C +ATOM 147 O ILE B 450 4.560 -30.194 8.065 1.00 19.18 O +ATOM 148 CB ILE B 450 2.236 -30.269 9.855 1.00 21.28 C +ATOM 149 CG1 ILE B 450 1.555 -30.084 11.229 1.00 20.36 C +ATOM 150 CG2 ILE B 450 1.259 -30.773 8.768 1.00 19.94 C +ATOM 151 CD1 ILE B 450 0.515 -28.922 11.224 1.00 21.25 C +ATOM 152 N ARG B 451 4.464 -32.449 8.151 1.00 20.54 N +ATOM 153 CA ARG B 451 5.333 -32.676 7.004 1.00 21.61 C +ATOM 154 C ARG B 451 4.481 -33.026 5.807 1.00 21.00 C +ATOM 155 O ARG B 451 3.500 -33.759 5.920 1.00 21.00 O +ATOM 156 CB ARG B 451 6.328 -33.797 7.308 1.00 22.50 C +ATOM 157 CG ARG B 451 7.391 -33.384 8.305 1.00 25.37 C +ATOM 158 CD ARG B 451 8.200 -34.597 8.779 1.00 32.14 C +ATOM 159 NE ARG B 451 8.820 -34.343 10.077 1.00 36.42 N +ATOM 160 CZ ARG B 451 9.882 -33.566 10.267 1.00 38.06 C +ATOM 161 NH1 ARG B 451 10.459 -32.962 9.238 1.00 39.25 N +ATOM 162 NH2 ARG B 451 10.372 -33.397 11.489 1.00 40.18 N +ATOM 163 N PHE B 452 4.827 -32.439 4.670 1.00 20.88 N +ATOM 164 CA PHE B 452 4.083 -32.687 3.438 1.00 20.94 C +ATOM 165 C PHE B 452 4.891 -32.304 2.219 1.00 21.12 C +ATOM 166 O PHE B 452 5.812 -31.473 2.283 1.00 20.20 O +ATOM 167 CB PHE B 452 2.733 -31.949 3.433 1.00 20.53 C +ATOM 168 CG PHE B 452 2.845 -30.456 3.601 1.00 20.62 C +ATOM 169 CD1 PHE B 452 2.772 -29.609 2.489 1.00 21.46 C +ATOM 170 CD2 PHE B 452 2.977 -29.891 4.881 1.00 22.52 C +ATOM 171 CE1 PHE B 452 2.852 -28.220 2.645 1.00 21.48 C +ATOM 172 CE2 PHE B 452 3.051 -28.512 5.048 1.00 20.49 C +ATOM 173 CZ PHE B 452 2.993 -27.674 3.927 1.00 20.73 C +ATOM 174 N GLU B 453 4.555 -32.917 1.087 1.00 22.51 N +ATOM 175 CA GLU B 453 5.199 -32.522 -0.152 1.00 23.17 C +ATOM 176 C GLU B 453 4.311 -31.537 -0.910 1.00 22.31 C +ATOM 177 O GLU B 453 3.077 -31.639 -0.886 1.00 22.48 O +ATOM 178 CB GLU B 453 5.543 -33.747 -1.023 1.00 23.75 C +ATOM 179 CG GLU B 453 6.630 -33.430 -2.049 1.00 29.84 C +ATOM 180 CD GLU B 453 7.744 -34.478 -2.140 1.00 36.20 C +ATOM 181 OE1 GLU B 453 8.936 -34.099 -2.033 1.00 39.94 O +ATOM 182 OE2 GLU B 453 7.439 -35.670 -2.335 1.00 39.82 O +ATOM 183 N PHE B 454 4.960 -30.570 -1.545 1.00 21.77 N +ATOM 184 CA PHE B 454 4.279 -29.614 -2.412 1.00 21.41 C +ATOM 185 C PHE B 454 4.911 -29.733 -3.809 1.00 21.30 C +ATOM 186 O PHE B 454 6.128 -29.566 -3.970 1.00 21.71 O +ATOM 187 CB PHE B 454 4.439 -28.192 -1.870 1.00 21.36 C +ATOM 188 CG PHE B 454 3.603 -27.154 -2.597 1.00 22.02 C +ATOM 189 CD1 PHE B 454 2.410 -26.698 -2.035 1.00 21.81 C +ATOM 190 CD2 PHE B 454 4.011 -26.624 -3.832 1.00 21.96 C +ATOM 191 CE1 PHE B 454 1.619 -25.733 -2.679 1.00 22.74 C +ATOM 192 CE2 PHE B 454 3.219 -25.644 -4.510 1.00 22.00 C +ATOM 193 CZ PHE B 454 2.014 -25.208 -3.930 1.00 22.51 C +ATOM 194 N THR B 455 4.072 -30.004 -4.799 1.00 21.36 N +ATOM 195 CA THR B 455 4.539 -30.183 -6.168 1.00 21.20 C +ATOM 196 C THR B 455 4.089 -29.010 -7.039 1.00 20.67 C +ATOM 197 O THR B 455 2.908 -28.916 -7.366 1.00 20.21 O +ATOM 198 CB THR B 455 4.042 -31.521 -6.725 1.00 21.44 C +ATOM 199 OG1 THR B 455 4.554 -32.556 -5.890 1.00 21.31 O +ATOM 200 CG2 THR B 455 4.562 -31.740 -8.161 1.00 21.20 C +ATOM 201 N PRO B 456 5.032 -28.109 -7.390 1.00 20.77 N +ATOM 202 CA PRO B 456 4.717 -27.017 -8.299 1.00 21.34 C +ATOM 203 C PRO B 456 4.148 -27.552 -9.599 1.00 20.10 C +ATOM 204 O PRO B 456 4.579 -28.599 -10.093 1.00 19.69 O +ATOM 205 CB PRO B 456 6.067 -26.330 -8.525 1.00 21.61 C +ATOM 206 CG PRO B 456 6.800 -26.583 -7.227 1.00 22.63 C +ATOM 207 CD PRO B 456 6.425 -28.020 -6.910 1.00 22.05 C +ATOM 208 N GLY B 457 3.176 -26.821 -10.118 1.00 20.08 N +ATOM 209 CA GLY B 457 2.413 -27.248 -11.271 1.00 20.00 C +ATOM 210 C GLY B 457 1.179 -28.056 -10.930 1.00 19.67 C +ATOM 211 O GLY B 457 0.210 -28.022 -11.690 1.00 18.81 O +ATOM 212 N ARG B 458 1.189 -28.775 -9.793 1.00 18.66 N +ATOM 213 CA ARG B 458 0.031 -29.601 -9.385 1.00 19.98 C +ATOM 214 C ARG B 458 -0.725 -28.949 -8.232 1.00 19.42 C +ATOM 215 O ARG B 458 -1.959 -28.876 -8.237 1.00 19.20 O +ATOM 216 CB ARG B 458 0.469 -30.996 -8.957 1.00 19.67 C +ATOM 217 CG ARG B 458 -0.704 -31.964 -8.732 1.00 23.26 C +ATOM 218 CD ARG B 458 -0.281 -33.249 -8.015 1.00 22.72 C +ATOM 219 NE ARG B 458 0.948 -33.814 -8.557 1.00 31.21 N +ATOM 220 CZ ARG B 458 1.816 -34.533 -7.848 1.00 33.04 C +ATOM 221 NH1 ARG B 458 1.601 -34.777 -6.553 1.00 32.90 N +ATOM 222 NH2 ARG B 458 2.902 -35.000 -8.441 1.00 36.97 N +ATOM 223 N ASP B 459 0.038 -28.489 -7.252 1.00 18.87 N +ATOM 224 CA ASP B 459 -0.509 -27.898 -6.052 1.00 18.97 C +ATOM 225 C ASP B 459 -0.509 -26.372 -6.096 1.00 19.21 C +ATOM 226 O ASP B 459 0.307 -25.760 -6.776 1.00 19.37 O +ATOM 227 CB ASP B 459 0.307 -28.360 -4.857 1.00 19.88 C +ATOM 228 CG ASP B 459 0.216 -29.850 -4.642 1.00 20.34 C +ATOM 229 OD1 ASP B 459 -0.883 -30.426 -4.867 1.00 22.64 O +ATOM 230 OD2 ASP B 459 1.234 -30.426 -4.221 1.00 20.90 O +ATOM 231 N THR B 460 -1.421 -25.772 -5.338 1.00 18.42 N +ATOM 232 CA THR B 460 -1.435 -24.317 -5.168 1.00 18.57 C +ATOM 233 C THR B 460 -1.336 -23.995 -3.679 1.00 18.37 C +ATOM 234 O THR B 460 -1.755 -24.794 -2.830 1.00 16.89 O +ATOM 235 CB THR B 460 -2.711 -23.633 -5.735 1.00 19.43 C +ATOM 236 OG1 THR B 460 -3.864 -24.099 -5.014 1.00 19.84 O +ATOM 237 CG2 THR B 460 -2.882 -23.924 -7.258 1.00 18.57 C +ATOM 238 N ALA B 461 -0.809 -22.806 -3.397 1.00 17.91 N +ATOM 239 CA ALA B 461 -0.689 -22.337 -2.029 1.00 17.81 C +ATOM 240 C ALA B 461 -2.077 -22.264 -1.389 1.00 17.62 C +ATOM 241 O ALA B 461 -2.262 -22.731 -0.255 1.00 18.10 O +ATOM 242 CB ALA B 461 -0.013 -20.996 -1.996 1.00 17.42 C +ATOM 243 N GLU B 462 -3.044 -21.690 -2.118 1.00 18.54 N +ATOM 244 CA GLU B 462 -4.435 -21.618 -1.651 1.00 19.96 C +ATOM 245 C GLU B 462 -5.005 -23.006 -1.350 1.00 19.44 C +ATOM 246 O GLU B 462 -5.549 -23.248 -0.249 1.00 19.50 O +ATOM 247 CB GLU B 462 -5.295 -20.874 -2.684 1.00 21.38 C +ATOM 248 CG GLU B 462 -6.798 -21.161 -2.629 1.00 28.40 C +ATOM 249 CD GLU B 462 -7.520 -20.347 -1.578 1.00 34.59 C +ATOM 250 OE1 GLU B 462 -6.980 -19.296 -1.175 1.00 38.37 O +ATOM 251 OE2 GLU B 462 -8.641 -20.747 -1.167 1.00 34.91 O +ATOM 252 N GLY B 463 -4.856 -23.916 -2.321 1.00 17.59 N +ATOM 253 CA GLY B 463 -5.399 -25.281 -2.207 1.00 17.58 C +ATOM 254 C GLY B 463 -4.822 -25.984 -1.005 1.00 17.56 C +ATOM 255 O GLY B 463 -5.553 -26.594 -0.218 1.00 18.19 O +ATOM 256 N VAL B 464 -3.505 -25.894 -0.849 1.00 17.76 N +ATOM 257 CA VAL B 464 -2.841 -26.594 0.243 1.00 17.89 C +ATOM 258 C VAL B 464 -3.193 -25.971 1.607 1.00 17.60 C +ATOM 259 O VAL B 464 -3.375 -26.686 2.609 1.00 17.55 O +ATOM 260 CB VAL B 464 -1.308 -26.745 -0.001 1.00 17.75 C +ATOM 261 CG1 VAL B 464 -1.035 -27.608 -1.265 1.00 18.09 C +ATOM 262 CG2 VAL B 464 -0.630 -27.359 1.233 1.00 18.36 C +ATOM 263 N SER B 465 -3.337 -24.644 1.643 1.00 17.56 N +ATOM 264 CA SER B 465 -3.782 -23.956 2.868 1.00 18.51 C +ATOM 265 C SER B 465 -5.193 -24.455 3.239 1.00 18.52 C +ATOM 266 O SER B 465 -5.450 -24.792 4.384 1.00 17.77 O +ATOM 267 CB SER B 465 -3.713 -22.437 2.702 1.00 20.25 C +ATOM 268 OG SER B 465 -4.143 -21.724 3.878 1.00 22.41 O +ATOM 269 N GLN B 466 -6.069 -24.571 2.243 1.00 18.37 N +ATOM 270 CA GLN B 466 -7.415 -25.111 2.475 1.00 20.35 C +ATOM 271 C GLN B 466 -7.366 -26.552 2.980 1.00 20.06 C +ATOM 272 O GLN B 466 -8.122 -26.915 3.913 1.00 20.13 O +ATOM 273 CB GLN B 466 -8.286 -24.963 1.233 1.00 20.60 C +ATOM 274 CG GLN B 466 -8.595 -23.503 0.911 1.00 23.34 C +ATOM 275 CD GLN B 466 -9.729 -22.886 1.760 1.00 26.71 C +ATOM 276 OE1 GLN B 466 -10.083 -23.371 2.850 1.00 26.99 O +ATOM 277 NE2 GLN B 466 -10.288 -21.793 1.254 1.00 27.07 N +ATOM 278 N GLU B 467 -6.465 -27.363 2.406 1.00 19.70 N +ATOM 279 CA GLU B 467 -6.215 -28.709 2.923 1.00 19.75 C +ATOM 280 C GLU B 467 -5.872 -28.716 4.405 1.00 19.21 C +ATOM 281 O GLU B 467 -6.459 -29.513 5.156 1.00 20.07 O +ATOM 282 CB GLU B 467 -5.136 -29.432 2.135 1.00 20.06 C +ATOM 283 CG GLU B 467 -5.651 -29.916 0.778 1.00 21.76 C +ATOM 284 CD GLU B 467 -4.630 -30.771 0.053 1.00 21.63 C +ATOM 285 OE1 GLU B 467 -4.069 -31.698 0.667 1.00 25.22 O +ATOM 286 OE2 GLU B 467 -4.415 -30.510 -1.142 1.00 26.17 O +ATOM 287 N LEU B 468 -4.929 -27.855 4.812 1.00 18.01 N +ATOM 288 CA LEU B 468 -4.527 -27.766 6.232 1.00 17.80 C +ATOM 289 C LEU B 468 -5.742 -27.414 7.130 1.00 18.55 C +ATOM 290 O LEU B 468 -5.904 -27.949 8.240 1.00 18.38 O +ATOM 291 CB LEU B 468 -3.420 -26.702 6.397 1.00 17.50 C +ATOM 292 CG LEU B 468 -2.032 -27.136 5.886 1.00 17.53 C +ATOM 293 CD1 LEU B 468 -1.153 -25.922 5.646 1.00 18.06 C +ATOM 294 CD2 LEU B 468 -1.337 -28.060 6.908 1.00 20.10 C +ATOM 295 N ILE B 469 -6.569 -26.501 6.646 1.00 18.04 N +ATOM 296 CA ILE B 469 -7.734 -26.035 7.407 1.00 19.10 C +ATOM 297 C ILE B 469 -8.755 -27.164 7.536 1.00 19.88 C +ATOM 298 O ILE B 469 -9.213 -27.460 8.638 1.00 18.73 O +ATOM 299 CB ILE B 469 -8.333 -24.773 6.789 1.00 19.96 C +ATOM 300 CG1 ILE B 469 -7.343 -23.600 6.977 1.00 19.05 C +ATOM 301 CG2 ILE B 469 -9.689 -24.438 7.419 1.00 20.11 C +ATOM 302 CD1 ILE B 469 -7.566 -22.361 6.060 1.00 19.42 C +ATOM 303 N SER B 470 -9.076 -27.794 6.410 1.00 19.93 N +ATOM 304 CA SER B 470 -9.958 -28.975 6.406 1.00 21.22 C +ATOM 305 C SER B 470 -9.471 -30.086 7.360 1.00 21.95 C +ATOM 306 O SER B 470 -10.294 -30.714 8.047 1.00 23.42 O +ATOM 307 CB SER B 470 -10.119 -29.527 4.990 1.00 21.32 C +ATOM 308 OG SER B 470 -10.708 -28.575 4.121 1.00 22.04 O +ATOM 309 N ALA B 471 -8.160 -30.324 7.403 1.00 20.95 N +ATOM 310 CA ALA B 471 -7.534 -31.332 8.292 1.00 21.30 C +ATOM 311 C ALA B 471 -7.524 -30.914 9.771 1.00 21.43 C +ATOM 312 O ALA B 471 -7.073 -31.683 10.635 1.00 22.39 O +ATOM 313 CB ALA B 471 -6.122 -31.649 7.834 1.00 20.85 C +ATOM 314 N GLY B 472 -7.977 -29.693 10.043 1.00 21.68 N +ATOM 315 CA GLY B 472 -7.945 -29.127 11.403 1.00 22.13 C +ATOM 316 C GLY B 472 -6.550 -28.884 11.978 1.00 22.79 C +ATOM 317 O GLY B 472 -6.368 -28.894 13.202 1.00 23.62 O +ATOM 318 N LEU B 473 -5.567 -28.658 11.104 1.00 21.84 N +ATOM 319 CA LEU B 473 -4.188 -28.384 11.507 1.00 21.95 C +ATOM 320 C LEU B 473 -3.890 -26.873 11.561 1.00 21.61 C +ATOM 321 O LEU B 473 -2.918 -26.440 12.197 1.00 21.92 O +ATOM 322 CB LEU B 473 -3.205 -29.095 10.566 1.00 22.08 C +ATOM 323 CG LEU B 473 -3.328 -30.628 10.451 1.00 23.55 C +ATOM 324 CD1 LEU B 473 -2.485 -31.182 9.301 1.00 23.66 C +ATOM 325 CD2 LEU B 473 -2.933 -31.286 11.781 1.00 22.94 C +ATOM 326 N VAL B 474 -4.709 -26.097 10.852 1.00 21.15 N +ATOM 327 CA VAL B 474 -4.605 -24.629 10.799 1.00 21.13 C +ATOM 328 C VAL B 474 -6.008 -24.034 10.977 1.00 21.48 C +ATOM 329 O VAL B 474 -6.975 -24.565 10.437 1.00 20.33 O +ATOM 330 CB VAL B 474 -4.009 -24.205 9.432 1.00 21.19 C +ATOM 331 CG1 VAL B 474 -4.286 -22.744 9.098 1.00 21.24 C +ATOM 332 CG2 VAL B 474 -2.522 -24.549 9.377 1.00 21.08 C +ATOM 333 N ASP B 475 -6.087 -22.944 11.753 1.00 21.29 N +ATOM 334 CA ASP B 475 -7.297 -22.103 11.972 1.00 21.99 C +ATOM 335 C ASP B 475 -7.742 -21.506 10.634 1.00 21.68 C +ATOM 336 O ASP B 475 -6.920 -20.966 9.909 1.00 21.48 O +ATOM 337 CB ASP B 475 -6.890 -20.959 12.947 1.00 22.66 C +ATOM 338 CG ASP B 475 -8.052 -20.017 13.388 1.00 26.22 C +ATOM 339 OD1 ASP B 475 -7.752 -19.118 14.230 1.00 30.02 O +ATOM 340 OD2 ASP B 475 -9.213 -20.108 12.926 1.00 25.40 O +ATOM 341 N GLY B 476 -9.035 -21.582 10.306 1.00 22.35 N +ATOM 342 CA GLY B 476 -9.535 -20.953 9.067 1.00 22.19 C +ATOM 343 C GLY B 476 -9.274 -19.454 8.957 1.00 21.64 C +ATOM 344 O GLY B 476 -9.138 -18.890 7.843 1.00 22.08 O +ATOM 345 N ARG B 477 -9.161 -18.785 10.110 1.00 21.38 N +ATOM 346 CA ARG B 477 -8.834 -17.372 10.113 1.00 21.22 C +ATOM 347 C ARG B 477 -7.443 -17.093 9.519 1.00 20.62 C +ATOM 348 O ARG B 477 -7.154 -15.958 9.122 1.00 21.55 O +ATOM 349 CB ARG B 477 -8.904 -16.801 11.524 1.00 21.40 C +ATOM 350 CG ARG B 477 -10.297 -16.825 12.112 1.00 23.70 C +ATOM 351 CD ARG B 477 -10.299 -16.112 13.473 1.00 26.07 C +ATOM 352 NE ARG B 477 -9.639 -16.906 14.510 1.00 29.10 N +ATOM 353 CZ ARG B 477 -9.404 -16.472 15.747 1.00 30.73 C +ATOM 354 NH1 ARG B 477 -9.783 -15.250 16.107 1.00 32.87 N +ATOM 355 NH2 ARG B 477 -8.806 -17.258 16.627 1.00 31.82 N +ATOM 356 N ASP B 478 -6.595 -18.130 9.453 1.00 18.48 N +ATOM 357 CA ASP B 478 -5.226 -17.954 8.969 1.00 18.55 C +ATOM 358 C ASP B 478 -5.053 -18.364 7.514 1.00 17.99 C +ATOM 359 O ASP B 478 -3.933 -18.477 7.030 1.00 18.06 O +ATOM 360 CB ASP B 478 -4.246 -18.710 9.869 1.00 17.78 C +ATOM 361 CG ASP B 478 -4.206 -18.158 11.288 1.00 17.90 C +ATOM 362 OD1 ASP B 478 -4.275 -16.910 11.476 1.00 15.74 O +ATOM 363 OD2 ASP B 478 -4.111 -18.983 12.215 1.00 16.52 O +ATOM 364 N LEU B 479 -6.166 -18.561 6.808 1.00 18.80 N +ATOM 365 CA LEU B 479 -6.115 -18.942 5.374 1.00 19.47 C +ATOM 366 C LEU B 479 -5.163 -18.068 4.543 1.00 19.40 C +ATOM 367 O LEU B 479 -4.291 -18.589 3.839 1.00 18.78 O +ATOM 368 CB LEU B 479 -7.539 -18.936 4.766 1.00 19.81 C +ATOM 369 CG LEU B 479 -7.659 -19.058 3.236 1.00 19.27 C +ATOM 370 CD1 LEU B 479 -7.137 -20.428 2.773 1.00 21.46 C +ATOM 371 CD2 LEU B 479 -9.115 -18.875 2.811 1.00 21.69 C +ATOM 372 N VAL B 480 -5.332 -16.746 4.628 1.00 19.29 N +ATOM 373 CA VAL B 480 -4.606 -15.818 3.753 1.00 19.28 C +ATOM 374 C VAL B 480 -3.113 -15.803 4.087 1.00 18.98 C +ATOM 375 O VAL B 480 -2.279 -15.964 3.200 1.00 18.58 O +ATOM 376 CB VAL B 480 -5.251 -14.393 3.825 1.00 19.43 C +ATOM 377 CG1 VAL B 480 -4.419 -13.363 3.046 1.00 20.01 C +ATOM 378 CG2 VAL B 480 -6.685 -14.471 3.321 1.00 20.67 C +ATOM 379 N ILE B 481 -2.790 -15.678 5.378 1.00 17.66 N +ATOM 380 CA ILE B 481 -1.391 -15.611 5.794 1.00 18.32 C +ATOM 381 C ILE B 481 -0.643 -16.939 5.556 1.00 16.32 C +ATOM 382 O ILE B 481 0.508 -16.943 5.102 1.00 17.20 O +ATOM 383 CB ILE B 481 -1.219 -15.066 7.237 1.00 17.71 C +ATOM 384 CG1 ILE B 481 0.198 -14.490 7.395 1.00 19.56 C +ATOM 385 CG2 ILE B 481 -1.598 -16.123 8.283 1.00 17.67 C +ATOM 386 CD1 ILE B 481 0.392 -13.555 8.617 1.00 20.03 C +ATOM 387 N VAL B 482 -1.331 -18.050 5.777 1.00 16.12 N +ATOM 388 CA VAL B 482 -0.737 -19.359 5.462 1.00 16.04 C +ATOM 389 C VAL B 482 -0.465 -19.489 3.953 1.00 16.57 C +ATOM 390 O VAL B 482 0.672 -19.791 3.572 1.00 16.16 O +ATOM 391 CB VAL B 482 -1.541 -20.551 6.021 1.00 15.67 C +ATOM 392 CG1 VAL B 482 -0.987 -21.889 5.439 1.00 15.57 C +ATOM 393 CG2 VAL B 482 -1.471 -20.548 7.548 1.00 16.15 C +ATOM 394 N ALA B 483 -1.494 -19.244 3.129 1.00 17.04 N +ATOM 395 CA ALA B 483 -1.356 -19.247 1.655 1.00 17.79 C +ATOM 396 C ALA B 483 -0.212 -18.317 1.191 1.00 18.46 C +ATOM 397 O ALA B 483 0.625 -18.729 0.406 1.00 18.65 O +ATOM 398 CB ALA B 483 -2.691 -18.888 0.967 1.00 17.51 C +ATOM 399 N ALA B 484 -0.148 -17.094 1.726 1.00 17.80 N +ATOM 400 CA ALA B 484 0.905 -16.130 1.344 1.00 18.94 C +ATOM 401 C ALA B 484 2.307 -16.671 1.641 1.00 18.68 C +ATOM 402 O ALA B 484 3.257 -16.515 0.848 1.00 18.74 O +ATOM 403 CB ALA B 484 0.692 -14.830 2.085 1.00 19.26 C +ATOM 404 N ASN B 485 2.445 -17.319 2.794 1.00 18.08 N +ATOM 405 CA ASN B 485 3.753 -17.808 3.207 1.00 17.81 C +ATOM 406 C ASN B 485 4.162 -19.069 2.455 1.00 18.33 C +ATOM 407 O ASN B 485 5.350 -19.272 2.143 1.00 18.89 O +ATOM 408 CB ASN B 485 3.798 -17.971 4.719 1.00 17.34 C +ATOM 409 CG ASN B 485 4.043 -16.637 5.409 1.00 15.85 C +ATOM 410 OD1 ASN B 485 3.103 -15.891 5.707 1.00 18.48 O +ATOM 411 ND2 ASN B 485 5.309 -16.291 5.584 1.00 16.46 N +ATOM 412 N LEU B 486 3.176 -19.895 2.144 1.00 18.86 N +ATOM 413 CA LEU B 486 3.429 -21.104 1.355 1.00 19.78 C +ATOM 414 C LEU B 486 3.914 -20.692 -0.047 1.00 20.18 C +ATOM 415 O LEU B 486 4.876 -21.258 -0.590 1.00 20.13 O +ATOM 416 CB LEU B 486 2.163 -21.943 1.269 1.00 20.01 C +ATOM 417 CG LEU B 486 2.234 -23.389 1.731 1.00 24.72 C +ATOM 418 CD1 LEU B 486 0.921 -24.120 1.323 1.00 24.22 C +ATOM 419 CD2 LEU B 486 3.474 -24.107 1.171 1.00 25.03 C +ATOM 420 N GLN B 487 3.267 -19.674 -0.607 1.00 19.79 N +ATOM 421 CA GLN B 487 3.704 -19.107 -1.885 1.00 20.42 C +ATOM 422 C GLN B 487 5.146 -18.604 -1.834 1.00 20.82 C +ATOM 423 O GLN B 487 5.963 -18.926 -2.702 1.00 21.92 O +ATOM 424 CB GLN B 487 2.754 -17.999 -2.330 1.00 20.39 C +ATOM 425 CG GLN B 487 3.055 -17.492 -3.756 1.00 21.67 C +ATOM 426 CD GLN B 487 3.079 -18.613 -4.807 1.00 21.79 C +ATOM 427 OE1 GLN B 487 2.283 -19.561 -4.753 1.00 20.85 O +ATOM 428 NE2 GLN B 487 3.995 -18.501 -5.777 1.00 23.25 N +ATOM 429 N LYS B 488 5.459 -17.827 -0.801 1.00 21.73 N +ATOM 430 CA LYS B 488 6.795 -17.284 -0.563 1.00 24.24 C +ATOM 431 C LYS B 488 7.847 -18.406 -0.545 1.00 24.60 C +ATOM 432 O LYS B 488 8.879 -18.314 -1.205 1.00 24.74 O +ATOM 433 CB LYS B 488 6.773 -16.546 0.772 1.00 24.40 C +ATOM 434 CG LYS B 488 7.551 -15.255 0.835 1.00 29.29 C +ATOM 435 CD LYS B 488 7.131 -14.443 2.083 1.00 32.62 C +ATOM 436 CE LYS B 488 5.719 -13.854 1.961 1.00 34.28 C +ATOM 437 NZ LYS B 488 5.384 -12.922 3.097 1.00 34.39 N +ATOM 438 N ILE B 489 7.554 -19.477 0.185 1.00 26.13 N +ATOM 439 CA ILE B 489 8.449 -20.627 0.310 1.00 27.86 C +ATOM 440 C ILE B 489 8.666 -21.342 -1.027 1.00 28.31 C +ATOM 441 O ILE B 489 9.770 -21.791 -1.339 1.00 28.30 O +ATOM 442 CB ILE B 489 7.852 -21.635 1.296 1.00 29.15 C +ATOM 443 N VAL B 490 7.587 -21.451 -1.789 1.00 28.16 N +ATOM 444 CA VAL B 490 7.545 -22.235 -3.020 1.00 29.95 C +ATOM 445 C VAL B 490 8.284 -21.538 -4.169 1.00 31.15 C +ATOM 446 O VAL B 490 8.920 -22.197 -5.004 1.00 30.99 O +ATOM 447 CB VAL B 490 6.062 -22.558 -3.386 1.00 29.51 C +ATOM 448 CG1 VAL B 490 5.893 -22.866 -4.858 1.00 28.99 C +ATOM 449 CG2 VAL B 490 5.576 -23.689 -2.519 1.00 29.59 C +ATOM 450 N GLU B 491 8.222 -20.211 -4.200 1.00 32.63 N +ATOM 451 CA GLU B 491 8.804 -19.466 -5.311 1.00 35.35 C +ATOM 452 C GLU B 491 10.303 -19.184 -5.142 1.00 37.14 C +ATOM 453 O GLU B 491 10.956 -18.703 -6.069 1.00 37.25 O +ATOM 454 CB GLU B 491 8.003 -18.198 -5.604 1.00 35.48 C +ATOM 455 CG GLU B 491 7.939 -17.213 -4.456 1.00 35.32 C +ATOM 456 CD GLU B 491 6.847 -16.159 -4.628 1.00 35.46 C +ATOM 457 OE1 GLU B 491 6.918 -15.156 -3.897 1.00 35.84 O +ATOM 458 OE2 GLU B 491 5.923 -16.322 -5.463 1.00 33.99 O +ATOM 459 N GLU B 492 10.828 -19.491 -3.954 1.00 38.55 N +ATOM 460 CA GLU B 492 12.269 -19.472 -3.683 1.00 40.27 C +ATOM 461 C GLU B 492 12.569 -20.731 -2.844 1.00 40.78 C +ATOM 462 O GLU B 492 12.786 -20.647 -1.631 1.00 40.85 O +ATOM 463 CB GLU B 492 12.658 -18.171 -2.963 1.00 40.52 C +ATOM 464 CG GLU B 492 12.924 -18.321 -1.462 1.00 43.39 C +ATOM 465 CD GLU B 492 12.384 -17.191 -0.599 1.00 47.11 C +ATOM 466 OE1 GLU B 492 11.656 -17.507 0.378 1.00 47.97 O +ATOM 467 OE2 GLU B 492 12.701 -16.001 -0.866 1.00 48.78 O +ATOM 468 N PRO B 493 12.547 -21.914 -3.492 1.00 41.56 N +ATOM 469 CA PRO B 493 12.416 -23.188 -2.775 1.00 41.90 C +ATOM 470 C PRO B 493 13.710 -23.881 -2.334 1.00 42.23 C +ATOM 471 O PRO B 493 13.728 -25.113 -2.216 1.00 42.64 O +ATOM 472 CB PRO B 493 11.670 -24.067 -3.783 1.00 42.16 C +ATOM 473 CG PRO B 493 12.008 -23.478 -5.146 1.00 42.16 C +ATOM 474 CD PRO B 493 12.623 -22.117 -4.952 1.00 41.68 C +ATOM 475 N GLN B 494 14.757 -23.107 -2.048 1.00 42.13 N +ATOM 476 CA GLN B 494 16.051 -23.682 -1.673 1.00 42.25 C +ATOM 477 C GLN B 494 15.991 -24.286 -0.276 1.00 41.55 C +ATOM 478 O GLN B 494 15.352 -23.735 0.623 1.00 41.48 O +ATOM 479 CB GLN B 494 17.158 -22.624 -1.695 1.00 42.72 C +ATOM 480 CG GLN B 494 16.856 -21.379 -2.508 1.00 44.53 C +ATOM 481 CD GLN B 494 17.394 -20.137 -1.837 1.00 46.85 C +ATOM 482 OE1 GLN B 494 16.691 -19.132 -1.715 1.00 47.72 O +ATOM 483 NE2 GLN B 494 18.646 -20.203 -1.377 1.00 47.41 N +ATOM 484 N SER B 495 16.689 -25.401 -0.080 1.00 40.56 N +ATOM 485 CA SER B 495 16.707 -26.060 1.227 1.00 39.36 C +ATOM 486 C SER B 495 17.241 -25.141 2.349 1.00 38.37 C +ATOM 487 O SER B 495 17.896 -24.122 2.079 1.00 38.11 O +ATOM 488 CB SER B 495 17.429 -27.410 1.140 1.00 39.76 C +ATOM 489 OG SER B 495 16.738 -28.281 0.237 1.00 39.55 O +ATOM 490 N ASN B 496 16.886 -25.476 3.590 1.00 37.03 N +ATOM 491 CA ASN B 496 17.138 -24.639 4.777 1.00 35.84 C +ATOM 492 C ASN B 496 16.298 -23.350 4.892 1.00 34.86 C +ATOM 493 O ASN B 496 16.187 -22.777 5.980 1.00 35.42 O +ATOM 494 CB ASN B 496 18.634 -24.338 4.946 1.00 35.69 C +ATOM 495 CG ASN B 496 19.480 -25.595 4.945 1.00 36.21 C +ATOM 496 OD1 ASN B 496 19.164 -26.574 5.640 1.00 36.36 O +ATOM 497 ND2 ASN B 496 20.555 -25.587 4.155 1.00 33.39 N +ATOM 498 N ARG B 497 15.713 -22.901 3.783 1.00 33.35 N +ATOM 499 CA ARG B 497 14.859 -21.711 3.789 1.00 31.29 C +ATOM 500 C ARG B 497 13.714 -21.869 4.792 1.00 29.47 C +ATOM 501 O ARG B 497 13.157 -22.959 4.940 1.00 27.74 O +ATOM 502 CB ARG B 497 14.283 -21.438 2.402 1.00 32.44 C +ATOM 503 CG ARG B 497 13.874 -19.995 2.186 1.00 34.88 C +ATOM 504 CD ARG B 497 14.996 -19.183 1.531 1.00 40.63 C +ATOM 505 NE ARG B 497 14.857 -17.761 1.825 1.00 43.33 N +ATOM 506 CZ ARG B 497 15.160 -16.774 0.987 1.00 44.81 C +ATOM 507 NH1 ARG B 497 15.619 -17.035 -0.238 1.00 45.43 N +ATOM 508 NH2 ARG B 497 14.983 -15.517 1.376 1.00 46.36 N +ATOM 509 N SER B 498 13.393 -20.779 5.489 1.00 27.26 N +ATOM 510 CA SER B 498 12.338 -20.808 6.500 1.00 25.40 C +ATOM 511 C SER B 498 11.661 -19.448 6.578 1.00 24.14 C +ATOM 512 O SER B 498 12.275 -18.405 6.270 1.00 23.23 O +ATOM 513 CB SER B 498 12.909 -21.230 7.856 1.00 26.02 C +ATOM 514 OG SER B 498 11.931 -21.186 8.877 1.00 26.73 O +ATOM 515 N VAL B 499 10.383 -19.454 6.949 1.00 22.14 N +ATOM 516 CA VAL B 499 9.645 -18.202 7.190 1.00 21.85 C +ATOM 517 C VAL B 499 8.821 -18.397 8.465 1.00 21.94 C +ATOM 518 O VAL B 499 8.398 -19.521 8.764 1.00 20.66 O +ATOM 519 CB VAL B 499 8.718 -17.773 5.991 1.00 22.60 C +ATOM 520 CG1 VAL B 499 7.593 -18.770 5.746 1.00 22.26 C +ATOM 521 CG2 VAL B 499 9.536 -17.543 4.698 1.00 24.40 C +ATOM 522 N THR B 500 8.666 -17.317 9.236 1.00 21.00 N +ATOM 523 CA THR B 500 7.823 -17.368 10.432 1.00 20.13 C +ATOM 524 C THR B 500 6.738 -16.312 10.267 1.00 19.42 C +ATOM 525 O THR B 500 7.011 -15.203 9.777 1.00 18.10 O +ATOM 526 CB THR B 500 8.627 -17.135 11.720 1.00 20.85 C +ATOM 527 OG1 THR B 500 9.631 -18.158 11.850 1.00 22.30 O +ATOM 528 CG2 THR B 500 7.735 -17.200 12.949 1.00 20.98 C +ATOM 529 N PHE B 501 5.523 -16.649 10.673 1.00 18.15 N +ATOM 530 CA PHE B 501 4.423 -15.696 10.556 1.00 17.89 C +ATOM 531 C PHE B 501 3.451 -15.773 11.734 1.00 17.73 C +ATOM 532 O PHE B 501 3.429 -16.762 12.471 1.00 16.63 O +ATOM 533 CB PHE B 501 3.730 -15.897 9.203 1.00 17.68 C +ATOM 534 CG PHE B 501 3.211 -17.301 8.994 1.00 17.92 C +ATOM 535 CD1 PHE B 501 4.016 -18.292 8.363 1.00 17.62 C +ATOM 536 CD2 PHE B 501 1.925 -17.645 9.412 1.00 16.60 C +ATOM 537 CE1 PHE B 501 3.520 -19.582 8.182 1.00 17.31 C +ATOM 538 CE2 PHE B 501 1.428 -18.945 9.219 1.00 18.18 C +ATOM 539 CZ PHE B 501 2.221 -19.909 8.610 1.00 16.99 C +ATOM 540 N LYS B 502 2.679 -14.703 11.915 1.00 17.15 N +ATOM 541 CA LYS B 502 1.728 -14.583 13.021 1.00 17.36 C +ATOM 542 C LYS B 502 0.451 -15.381 12.769 1.00 17.37 C +ATOM 543 O LYS B 502 -0.003 -15.466 11.629 1.00 16.73 O +ATOM 544 CB LYS B 502 1.351 -13.109 13.164 1.00 17.10 C +ATOM 545 CG LYS B 502 2.541 -12.227 13.516 1.00 21.05 C +ATOM 546 CD LYS B 502 2.092 -10.776 13.672 1.00 26.31 C +ATOM 547 CE LYS B 502 3.264 -9.839 13.963 1.00 28.44 C +ATOM 548 NZ LYS B 502 2.821 -8.399 13.862 1.00 30.39 N +ATOM 549 N LEU B 503 -0.148 -15.871 13.857 1.00 16.68 N +ATOM 550 CA LEU B 503 -1.434 -16.549 13.833 1.00 17.61 C +ATOM 551 C LEU B 503 -2.518 -15.681 14.478 1.00 18.22 C +ATOM 552 O LEU B 503 -2.258 -15.014 15.500 1.00 19.00 O +ATOM 553 CB LEU B 503 -1.320 -17.845 14.623 1.00 17.58 C +ATOM 554 CG LEU B 503 -0.216 -18.800 14.119 1.00 16.20 C +ATOM 555 CD1 LEU B 503 -0.178 -20.084 14.933 1.00 19.74 C +ATOM 556 CD2 LEU B 503 -0.468 -19.113 12.645 1.00 17.41 C +ATOM 557 N ALA B 504 -3.726 -15.718 13.911 1.00 19.10 N +ATOM 558 CA ALA B 504 -4.856 -14.928 14.436 1.00 19.22 C +ATOM 559 C ALA B 504 -5.116 -15.117 15.931 1.00 19.59 C +ATOM 560 O ALA B 504 -5.480 -14.154 16.636 1.00 19.70 O +ATOM 561 CB ALA B 504 -6.133 -15.233 13.647 1.00 20.00 C +ATOM 562 N SER B 505 -4.935 -16.354 16.395 1.00 19.15 N +ATOM 563 CA SER B 505 -5.151 -16.738 17.802 1.00 19.38 C +ATOM 564 C SER B 505 -4.197 -16.037 18.787 1.00 20.14 C +ATOM 565 O SER B 505 -4.497 -15.949 19.990 1.00 19.72 O +ATOM 566 CB SER B 505 -5.026 -18.256 17.943 1.00 19.15 C +ATOM 567 OG SER B 505 -3.741 -18.717 17.614 1.00 20.00 O +ATOM 568 N GLY B 506 -3.070 -15.521 18.281 1.00 20.37 N +ATOM 569 CA GLY B 506 -2.018 -14.992 19.158 1.00 21.14 C +ATOM 570 C GLY B 506 -2.550 -13.960 20.151 1.00 20.90 C +ATOM 571 O GLY B 506 -2.293 -14.058 21.362 1.00 21.93 O +ATOM 572 N VAL B 507 -3.288 -12.981 19.633 1.00 20.25 N +ATOM 573 CA VAL B 507 -3.800 -11.869 20.454 1.00 21.14 C +ATOM 574 C VAL B 507 -5.038 -12.286 21.273 1.00 21.46 C +ATOM 575 O VAL B 507 -5.446 -11.595 22.219 1.00 19.94 O +ATOM 576 CB VAL B 507 -4.155 -10.638 19.571 1.00 21.45 C +ATOM 577 CG1 VAL B 507 -5.316 -10.965 18.584 1.00 21.99 C +ATOM 578 CG2 VAL B 507 -4.486 -9.426 20.451 1.00 20.75 C +ATOM 579 N GLU B 508 -5.610 -13.431 20.922 1.00 22.39 N +ATOM 580 CA GLU B 508 -6.901 -13.826 21.490 1.00 25.09 C +ATOM 581 C GLU B 508 -6.759 -14.711 22.707 1.00 25.61 C +ATOM 582 O GLU B 508 -7.576 -14.633 23.617 1.00 27.45 O +ATOM 583 CB GLU B 508 -7.790 -14.512 20.442 1.00 24.64 C +ATOM 584 CG GLU B 508 -8.238 -13.617 19.293 1.00 26.83 C +ATOM 585 CD GLU B 508 -9.151 -12.464 19.720 1.00 30.83 C +ATOM 586 OE1 GLU B 508 -10.239 -12.704 20.316 1.00 31.31 O +ATOM 587 OE2 GLU B 508 -8.789 -11.305 19.430 1.00 30.17 O +ATOM 588 N GLY B 509 -5.734 -15.568 22.713 1.00 26.67 N +ATOM 589 CA GLY B 509 -5.504 -16.486 23.812 1.00 26.43 C +ATOM 590 C GLY B 509 -4.919 -15.877 25.079 1.00 26.42 C +ATOM 591 O GLY B 509 -4.560 -14.682 25.123 1.00 27.55 O +ATOM 592 N SER B 510 -4.845 -16.700 26.119 1.00 24.64 N +ATOM 593 CA SER B 510 -4.302 -16.294 27.413 1.00 23.70 C +ATOM 594 C SER B 510 -2.774 -16.255 27.414 1.00 22.31 C +ATOM 595 O SER B 510 -2.167 -15.421 28.081 1.00 21.96 O +ATOM 596 CB SER B 510 -4.825 -17.228 28.523 1.00 23.89 C +ATOM 597 OG SER B 510 -4.091 -17.043 29.732 1.00 26.43 O +ATOM 598 N ASP B 511 -2.147 -17.188 26.700 1.00 21.98 N +ATOM 599 CA ASP B 511 -0.683 -17.222 26.619 1.00 21.75 C +ATOM 600 C ASP B 511 -0.171 -15.971 25.867 1.00 20.73 C +ATOM 601 O ASP B 511 -0.770 -15.551 24.862 1.00 20.71 O +ATOM 602 CB ASP B 511 -0.204 -18.509 25.904 1.00 21.02 C +ATOM 603 CG ASP B 511 -0.446 -19.783 26.727 1.00 23.93 C +ATOM 604 OD1 ASP B 511 -0.559 -19.720 27.989 1.00 24.18 O +ATOM 605 OD2 ASP B 511 -0.457 -20.863 26.107 1.00 25.38 O +ATOM 606 N ILE B 512 0.925 -15.387 26.358 1.00 20.44 N +ATOM 607 CA ILE B 512 1.549 -14.239 25.675 1.00 19.15 C +ATOM 608 C ILE B 512 2.225 -14.734 24.377 1.00 18.43 C +ATOM 609 O ILE B 512 3.023 -15.669 24.411 1.00 18.13 O +ATOM 610 CB ILE B 512 2.564 -13.529 26.594 1.00 19.01 C +ATOM 611 CG1 ILE B 512 1.853 -12.973 27.844 1.00 20.09 C +ATOM 612 CG2 ILE B 512 3.386 -12.492 25.815 1.00 19.65 C +ATOM 613 CD1 ILE B 512 2.832 -12.508 28.969 1.00 20.61 C +ATOM 614 N PRO B 513 1.907 -14.105 23.234 1.00 18.09 N +ATOM 615 CA PRO B 513 2.553 -14.537 21.987 1.00 17.91 C +ATOM 616 C PRO B 513 4.068 -14.304 22.059 1.00 17.78 C +ATOM 617 O PRO B 513 4.513 -13.334 22.685 1.00 16.44 O +ATOM 618 CB PRO B 513 1.930 -13.622 20.927 1.00 18.47 C +ATOM 619 CG PRO B 513 1.428 -12.412 21.701 1.00 20.35 C +ATOM 620 CD PRO B 513 0.984 -12.972 23.024 1.00 19.75 C +ATOM 621 N ASP B 514 4.829 -15.187 21.426 1.00 17.44 N +ATOM 622 CA ASP B 514 6.289 -15.176 21.507 1.00 18.30 C +ATOM 623 C ASP B 514 6.808 -16.006 20.338 1.00 18.60 C +ATOM 624 O ASP B 514 6.413 -17.158 20.162 1.00 18.61 O +ATOM 625 CB ASP B 514 6.715 -15.773 22.856 1.00 18.30 C +ATOM 626 CG ASP B 514 8.219 -15.767 23.072 1.00 21.25 C +ATOM 627 OD1 ASP B 514 8.945 -16.493 22.356 1.00 17.33 O +ATOM 628 OD2 ASP B 514 8.657 -15.061 24.020 1.00 27.69 O +ATOM 629 N ASP B 515 7.709 -15.412 19.561 1.00 18.72 N +ATOM 630 CA ASP B 515 8.178 -15.997 18.303 1.00 18.99 C +ATOM 631 C ASP B 515 8.967 -17.257 18.594 1.00 18.04 C +ATOM 632 O ASP B 515 8.718 -18.328 18.035 1.00 17.57 O +ATOM 633 CB ASP B 515 9.055 -14.959 17.584 1.00 20.95 C +ATOM 634 CG ASP B 515 9.864 -15.545 16.458 1.00 22.16 C +ATOM 635 OD1 ASP B 515 9.261 -15.955 15.454 1.00 29.11 O +ATOM 636 OD2 ASP B 515 11.116 -15.562 16.562 1.00 26.31 O +ATOM 637 N GLY B 516 9.899 -17.158 19.525 1.00 17.64 N +ATOM 638 CA GLY B 516 10.787 -18.283 19.658 1.00 18.20 C +ATOM 639 C GLY B 516 10.377 -19.443 20.556 1.00 18.60 C +ATOM 640 O GLY B 516 10.829 -20.560 20.299 1.00 17.56 O +ATOM 641 N LYS B 517 9.420 -19.288 21.468 1.00 18.32 N +ATOM 642 CA LYS B 517 8.239 -20.187 21.724 1.00 17.90 C +ATOM 643 C LYS B 517 7.197 -20.733 20.743 1.00 16.73 C +ATOM 644 O LYS B 517 6.490 -21.724 21.065 1.00 16.24 O +ATOM 645 CB LYS B 517 7.563 -19.754 23.043 1.00 18.38 C +ATOM 646 CG LYS B 517 8.575 -19.405 24.139 1.00 20.31 C +ATOM 647 CD LYS B 517 7.889 -18.623 25.249 1.00 24.07 C +ATOM 648 CE LYS B 517 8.873 -18.200 26.306 1.00 24.85 C +ATOM 649 NZ LYS B 517 8.160 -17.495 27.402 1.00 27.63 N +ATOM 650 N LEU B 518 7.080 -20.113 19.575 1.00 15.92 N +ATOM 651 CA LEU B 518 6.017 -20.458 18.641 1.00 15.08 C +ATOM 652 C LEU B 518 4.658 -20.473 19.368 1.00 15.45 C +ATOM 653 O LEU B 518 3.912 -21.437 19.310 1.00 14.64 O +ATOM 654 CB LEU B 518 6.311 -21.756 17.864 1.00 15.09 C +ATOM 655 CG LEU B 518 7.503 -21.610 16.889 1.00 15.52 C +ATOM 656 CD1 LEU B 518 7.757 -22.954 16.233 1.00 16.37 C +ATOM 657 CD2 LEU B 518 7.178 -20.530 15.841 1.00 15.89 C +ATOM 658 N ILE B 519 4.405 -19.410 20.130 1.00 14.37 N +ATOM 659 CA ILE B 519 3.083 -19.162 20.692 1.00 15.27 C +ATOM 660 C ILE B 519 2.520 -18.002 19.879 1.00 14.72 C +ATOM 661 O ILE B 519 3.097 -16.894 19.895 1.00 15.35 O +ATOM 662 CB ILE B 519 3.106 -18.809 22.216 1.00 14.56 C +ATOM 663 CG1 ILE B 519 3.674 -19.993 23.035 1.00 15.84 C +ATOM 664 CG2 ILE B 519 1.680 -18.497 22.675 1.00 16.11 C +ATOM 665 CD1 ILE B 519 3.984 -19.653 24.512 1.00 16.16 C +ATOM 666 N GLY B 520 1.440 -18.255 19.144 1.00 14.92 N +ATOM 667 CA GLY B 520 0.886 -17.240 18.251 1.00 15.71 C +ATOM 668 C GLY B 520 1.674 -16.988 16.971 1.00 15.81 C +ATOM 669 O GLY B 520 1.434 -16.013 16.276 1.00 16.39 O +ATOM 670 N PHE B 521 2.615 -17.885 16.662 1.00 15.60 N +ATOM 671 CA PHE B 521 3.383 -17.829 15.428 1.00 15.06 C +ATOM 672 C PHE B 521 3.515 -19.250 14.903 1.00 15.59 C +ATOM 673 O PHE B 521 3.472 -20.197 15.688 1.00 15.83 O +ATOM 674 CB PHE B 521 4.798 -17.331 15.702 1.00 15.14 C +ATOM 675 CG PHE B 521 4.875 -15.886 16.108 1.00 15.91 C +ATOM 676 CD1 PHE B 521 4.815 -15.531 17.475 1.00 16.18 C +ATOM 677 CD2 PHE B 521 5.026 -14.883 15.146 1.00 19.15 C +ATOM 678 CE1 PHE B 521 4.902 -14.205 17.873 1.00 17.76 C +ATOM 679 CE2 PHE B 521 5.093 -13.526 15.547 1.00 19.35 C +ATOM 680 CZ PHE B 521 5.032 -13.199 16.910 1.00 17.12 C +ATOM 681 N ALA B 522 3.676 -19.376 13.582 1.00 14.81 N +ATOM 682 CA ALA B 522 4.014 -20.675 12.972 1.00 15.63 C +ATOM 683 C ALA B 522 5.288 -20.539 12.151 1.00 16.38 C +ATOM 684 O ALA B 522 5.590 -19.451 11.646 1.00 16.31 O +ATOM 685 CB ALA B 522 2.866 -21.218 12.116 1.00 14.93 C +ATOM 686 N GLN B 523 6.022 -21.638 12.004 1.00 16.12 N +ATOM 687 CA GLN B 523 7.259 -21.640 11.212 1.00 17.16 C +ATOM 688 C GLN B 523 7.109 -22.614 10.035 1.00 17.41 C +ATOM 689 O GLN B 523 6.690 -23.756 10.232 1.00 18.24 O +ATOM 690 CB GLN B 523 8.434 -22.038 12.101 1.00 17.96 C +ATOM 691 CG GLN B 523 9.777 -21.906 11.425 1.00 21.05 C +ATOM 692 CD GLN B 523 10.910 -22.445 12.288 1.00 23.47 C +ATOM 693 OE1 GLN B 523 10.682 -23.103 13.303 1.00 23.15 O +ATOM 694 NE2 GLN B 523 12.144 -22.178 11.869 1.00 25.35 N +ATOM 695 N LEU B 524 7.421 -22.161 8.823 1.00 18.30 N +ATOM 696 CA LEU B 524 7.335 -23.014 7.616 1.00 17.44 C +ATOM 697 C LEU B 524 8.707 -23.090 6.962 1.00 18.32 C +ATOM 698 O LEU B 524 9.271 -22.050 6.640 1.00 17.26 O +ATOM 699 CB LEU B 524 6.351 -22.419 6.603 1.00 18.28 C +ATOM 700 CG LEU B 524 6.158 -23.174 5.274 1.00 18.79 C +ATOM 701 CD1 LEU B 524 5.229 -22.375 4.320 1.00 18.11 C +ATOM 702 CD2 LEU B 524 5.631 -24.591 5.496 1.00 18.21 C +ATOM 703 N SER B 525 9.195 -24.315 6.744 1.00 18.64 N +ATOM 704 CA SER B 525 10.580 -24.540 6.320 1.00 21.07 C +ATOM 705 C SER B 525 10.634 -25.595 5.205 1.00 22.27 C +ATOM 706 O SER B 525 9.786 -26.472 5.143 1.00 21.15 O +ATOM 707 CB SER B 525 11.387 -25.031 7.512 1.00 21.43 C +ATOM 708 OG SER B 525 11.287 -24.159 8.638 1.00 21.60 O +ATOM 709 N ILE B 526 11.642 -25.498 4.336 1.00 24.48 N +ATOM 710 CA ILE B 526 11.952 -26.564 3.386 1.00 26.62 C +ATOM 711 C ILE B 526 12.918 -27.535 4.062 1.00 28.70 C +ATOM 712 O ILE B 526 13.958 -27.109 4.566 1.00 28.79 O +ATOM 713 CB ILE B 526 12.629 -26.015 2.100 1.00 27.46 C +ATOM 714 CG1 ILE B 526 11.683 -25.083 1.360 1.00 28.98 C +ATOM 715 CG2 ILE B 526 13.034 -27.173 1.166 1.00 27.32 C +ATOM 716 CD1 ILE B 526 12.340 -23.900 0.755 1.00 31.50 C +ATOM 717 N SER B 527 12.585 -28.825 4.067 1.00 30.79 N +ATOM 718 CA SER B 527 13.522 -29.854 4.553 1.00 33.38 C +ATOM 719 C SER B 527 14.778 -29.830 3.673 1.00 34.09 C +ATOM 720 O SER B 527 15.902 -29.971 4.152 1.00 35.55 O +ATOM 721 CB SER B 527 12.891 -31.250 4.527 1.00 33.51 C +ATOM 722 OG SER B 527 11.718 -31.321 5.323 1.00 35.22 O +ATOM 723 OXT SER B 527 14.714 -29.631 2.443 1.00 34.99 O +ATOM 725 N GLY C1003 -4.374 -38.039 5.104 1.00 33.92 N +ATOM 726 CA GLY C1003 -4.226 -37.250 3.852 1.00 33.10 C +ATOM 727 C GLY C1003 -2.775 -37.022 3.484 1.00 32.03 C +ATOM 728 O GLY C1003 -1.945 -37.921 3.617 1.00 33.62 O +ATOM 729 N ARG C1004 -2.448 -35.813 3.028 1.00 30.45 N +ATOM 730 CA ARG C1004 -1.078 -35.536 2.604 1.00 28.49 C +ATOM 731 C ARG C1004 -0.137 -35.197 3.771 1.00 27.34 C +ATOM 732 O ARG C1004 1.081 -35.166 3.599 1.00 26.08 O +ATOM 733 CB ARG C1004 -1.036 -34.438 1.537 1.00 28.45 C +ATOM 734 CG ARG C1004 -1.018 -33.033 2.093 1.00 27.92 C +ATOM 735 CD ARG C1004 -0.404 -32.047 1.100 1.00 26.34 C +ATOM 736 NE ARG C1004 -1.326 -31.763 0.010 1.00 24.25 N +ATOM 737 CZ ARG C1004 -0.964 -31.467 -1.234 1.00 25.16 C +ATOM 738 NH1 ARG C1004 0.314 -31.442 -1.582 1.00 22.12 N +ATOM 739 NH2 ARG C1004 -1.894 -31.215 -2.136 1.00 24.86 N +ATOM 740 N PHE C1005 -0.714 -34.956 4.950 1.00 26.54 N +ATOM 741 CA PHE C1005 0.053 -34.460 6.083 1.00 26.32 C +ATOM 742 C PHE C1005 0.404 -35.560 7.054 1.00 27.26 C +ATOM 743 O PHE C1005 -0.445 -36.383 7.377 1.00 28.13 O +ATOM 744 CB PHE C1005 -0.733 -33.378 6.814 1.00 25.48 C +ATOM 745 CG PHE C1005 -1.220 -32.293 5.906 1.00 23.55 C +ATOM 746 CD1 PHE C1005 -2.587 -32.174 5.605 1.00 22.30 C +ATOM 747 CD2 PHE C1005 -0.303 -31.402 5.337 1.00 21.20 C +ATOM 748 CE1 PHE C1005 -3.044 -31.165 4.742 1.00 23.64 C +ATOM 749 CE2 PHE C1005 -0.749 -30.396 4.459 1.00 19.92 C +ATOM 750 CZ PHE C1005 -2.100 -30.283 4.155 1.00 21.73 C +ATOM 751 N GLN C1006 1.658 -35.552 7.493 1.00 28.15 N +ATOM 752 CA GLN C1006 2.146 -36.409 8.572 1.00 29.76 C +ATOM 753 C GLN C1006 2.476 -35.551 9.796 1.00 30.09 C +ATOM 754 O GLN C1006 3.381 -34.707 9.745 1.00 30.15 O +ATOM 755 CB GLN C1006 3.378 -37.193 8.127 1.00 29.94 C +ATOM 756 CG GLN C1006 3.094 -38.353 7.192 1.00 33.02 C +ATOM 757 CD GLN C1006 1.965 -39.240 7.686 1.00 35.46 C +ATOM 758 OE1 GLN C1006 0.969 -39.438 6.990 1.00 38.48 O +ATOM 759 NE2 GLN C1006 2.113 -39.771 8.899 1.00 37.01 N +ATOM 760 N VAL C1007 1.712 -35.770 10.871 1.00 30.97 N +ATOM 761 CA VAL C1007 1.924 -35.140 12.184 1.00 32.05 C +ATOM 762 C VAL C1007 2.224 -36.352 13.110 1.00 33.20 C +ATOM 763 O VAL C1007 1.443 -37.297 13.104 1.00 34.91 O +ATOM 764 CB VAL C1007 0.617 -34.451 12.689 1.00 32.12 C +ATOM 765 CG1 VAL C1007 -0.215 -33.882 11.542 1.00 30.72 C +ATOM 766 CG2 VAL C1007 0.911 -33.376 13.729 1.00 30.85 C +ATOM 767 N THR C1008 3.297 -36.369 13.905 1.00 34.53 N +ATOM 768 CA THR C1008 4.273 -35.305 14.121 1.00 33.96 C +ATOM 769 C THR C1008 5.672 -35.916 14.062 1.00 33.93 C +ATOM 770 O THR C1008 6.628 -35.289 13.597 1.00 34.05 O +ATOM 771 CB THR C1008 4.090 -34.622 15.528 1.00 34.51 C +ATOM 772 OG1 THR C1008 4.775 -33.374 15.548 1.00 32.91 O +ATOM 773 CG2 THR C1008 4.648 -35.477 16.667 1.00 33.41 C Added: SwiftApps/modFTdock/input/2vc8-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2vc8-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2vc8-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,609 @@ +ATOM 1 N THR A 3 38.917 10.704 -0.096 1.00 52.46 N +ATOM 2 CA THR A 3 38.333 10.131 1.143 1.00 46.88 C +ATOM 3 C THR A 3 38.274 11.170 2.262 1.00 48.77 C +ATOM 4 O THR A 3 37.943 10.842 3.412 1.00 43.16 O +ATOM 5 CB THR A 3 39.130 8.919 1.628 1.00 49.20 C +ATOM 6 OG1 THR A 3 40.519 9.258 1.731 1.00 51.20 O +ATOM 7 CG2 THR A 3 38.946 7.757 0.672 1.00 50.61 C +ATOM 8 N ASP A 4 38.586 12.416 1.903 1.00 44.78 N +ATOM 9 CA ASP A 4 38.587 13.526 2.837 1.00 46.42 C +ATOM 10 C ASP A 4 37.217 13.780 3.485 1.00 37.69 C +ATOM 11 O ASP A 4 37.188 14.272 4.606 1.00 36.91 O +ATOM 12 CB ASP A 4 39.131 14.799 2.173 1.00 40.87 C +ATOM 13 CG ASP A 4 40.580 14.620 1.689 1.00 50.07 C +ATOM 14 OD1 ASP A 4 41.177 13.546 1.984 1.00 51.39 O +ATOM 15 OD2 ASP A 4 41.116 15.533 1.017 1.00 45.08 O +ATOM 16 N TRP A 5 36.111 13.418 2.824 1.00 28.79 N +ATOM 17 CA TRP A 5 34.741 13.645 3.414 1.00 26.22 C +ATOM 18 C TRP A 5 34.482 12.821 4.716 1.00 21.23 C +ATOM 19 O TRP A 5 33.557 13.138 5.529 1.00 21.83 O +ATOM 20 CB TRP A 5 33.637 13.325 2.395 1.00 32.59 C +ATOM 21 CG TRP A 5 33.722 13.990 0.991 1.00 30.43 C +ATOM 22 CD1 TRP A 5 33.813 13.341 -0.224 1.00 33.87 C +ATOM 23 CD2 TRP A 5 33.719 15.385 0.685 1.00 28.76 C +ATOM 24 NE1 TRP A 5 33.861 14.255 -1.249 1.00 33.52 N +ATOM 25 CE2 TRP A 5 33.802 15.516 -0.723 1.00 31.66 C +ATOM 26 CE3 TRP A 5 33.636 16.542 1.459 1.00 30.24 C +ATOM 27 CZ2 TRP A 5 33.841 16.765 -1.362 1.00 37.13 C +ATOM 28 CZ3 TRP A 5 33.671 17.791 0.816 1.00 36.18 C +ATOM 29 CH2 TRP A 5 33.767 17.888 -0.573 1.00 37.03 C +ATOM 30 N LEU A 6 35.268 11.771 4.953 1.00 24.55 N +ATOM 31 CA LEU A 6 35.020 10.842 6.064 1.00 21.27 C +ATOM 32 C LEU A 6 34.890 11.552 7.389 1.00 19.10 C +ATOM 33 O LEU A 6 35.751 12.351 7.733 1.00 23.76 O +ATOM 34 CB LEU A 6 36.091 9.766 6.120 1.00 24.44 C +ATOM 35 CG LEU A 6 35.906 8.640 7.150 1.00 27.80 C +ATOM 36 CD1 LEU A 6 34.693 7.695 6.826 1.00 29.32 C +ATOM 37 CD2 LEU A 6 37.177 7.834 7.298 1.00 32.85 C +ATOM 38 N GLY A 7 33.795 11.307 8.105 1.00 18.53 N +ATOM 39 CA GLY A 7 33.590 11.905 9.427 1.00 17.17 C +ATOM 40 C GLY A 7 32.885 13.271 9.422 1.00 17.84 C +ATOM 41 O GLY A 7 32.525 13.811 10.474 1.00 18.22 O +ATOM 42 N SER A 8 32.779 13.879 8.259 1.00 16.36 N +ATOM 43 CA ASER A 8 31.986 15.097 8.161 0.50 15.68 C +ATOM 44 CA BSER A 8 31.964 15.083 8.051 0.50 14.44 C +ATOM 45 C SER A 8 30.515 14.804 8.375 1.00 12.98 C +ATOM 46 O SER A 8 30.074 13.634 8.352 1.00 16.06 O +ATOM 47 CB ASER A 8 32.195 15.748 6.818 0.50 15.31 C +ATOM 48 CB BSER A 8 32.034 15.555 6.590 0.50 18.06 C +ATOM 49 OG ASER A 8 31.717 14.882 5.831 0.50 15.45 O +ATOM 50 OG BSER A 8 33.338 15.933 6.182 0.50 16.85 O +ATOM 51 N ILE A 9 29.755 15.847 8.625 1.00 13.31 N +ATOM 52 CA AILE A 9 28.311 15.732 8.508 0.50 14.07 C +ATOM 53 CA BILE A 9 28.319 15.808 8.545 0.50 14.91 C +ATOM 54 C ILE A 9 27.905 16.540 7.278 1.00 13.69 C +ATOM 55 O ILE A 9 28.336 17.655 7.106 1.00 13.40 O +ATOM 56 CB AILE A 9 27.541 16.276 9.749 0.50 13.27 C +ATOM 57 CB BILE A 9 27.729 16.593 9.736 0.50 16.66 C +ATOM 58 CG1AILE A 9 28.080 15.692 11.096 0.50 15.69 C +ATOM 59 CG1BILE A 9 28.304 16.082 11.064 0.50 19.48 C +ATOM 60 CG2AILE A 9 26.036 16.015 9.625 0.50 14.03 C +ATOM 61 CG2BILE A 9 26.197 16.525 9.702 0.50 15.11 C +ATOM 62 CD1AILE A 9 27.371 16.240 12.345 0.50 22.81 C +ATOM 63 CD1BILE A 9 28.122 14.640 11.178 0.50 20.75 C +ATOM 64 N VAL A 10 27.117 15.912 6.427 1.00 12.89 N +ATOM 65 CA VAL A 10 26.810 16.476 5.101 1.00 12.44 C +ATOM 66 C VAL A 10 25.324 16.415 4.797 1.00 12.18 C +ATOM 67 O VAL A 10 24.590 15.639 5.383 1.00 13.81 O +ATOM 68 CB VAL A 10 27.596 15.778 3.961 1.00 12.28 C +ATOM 69 CG1 VAL A 10 29.080 15.888 4.206 1.00 14.13 C +ATOM 70 CG2 VAL A 10 27.146 14.353 3.745 1.00 14.22 C +ATOM 71 N SER A 11 24.919 17.222 3.839 1.00 13.13 N +ATOM 72 CA SER A 11 23.630 17.139 3.211 1.00 13.40 C +ATOM 73 C SER A 11 23.925 16.793 1.745 1.00 11.22 C +ATOM 74 O SER A 11 24.686 17.498 1.121 1.00 18.57 O +ATOM 75 CB SER A 11 22.924 18.477 3.290 1.00 19.29 C +ATOM 76 OG SER A 11 21.706 18.421 2.599 1.00 21.19 O +ATOM 77 N AILE A 12 23.417 15.668 1.206 0.50 15.99 N +ATOM 78 N BILE A 12 23.198 15.780 1.289 0.50 16.93 N +ATOM 79 CA AILE A 12 23.657 15.156 -0.174 0.50 12.01 C +ATOM 80 CA BILE A 12 23.371 15.209 -0.051 0.50 18.49 C +ATOM 81 C AILE A 12 22.294 15.260 -0.935 0.50 13.29 C +ATOM 82 C BILE A 12 22.098 15.462 -0.830 0.50 12.14 C +ATOM 83 O AILE A 12 21.353 14.576 -0.534 0.50 11.89 O +ATOM 84 O BILE A 12 21.036 15.105 -0.366 0.50 13.41 O +ATOM 85 CB AILE A 12 24.086 13.671 -0.096 0.50 13.14 C +ATOM 86 CB BILE A 12 23.641 13.651 0.018 0.50 17.89 C +ATOM 87 CG1AILE A 12 25.506 13.528 0.482 0.50 14.72 C +ATOM 88 CG1BILE A 12 25.110 13.452 0.326 0.50 26.11 C +ATOM 89 CG2AILE A 12 24.066 12.958 -1.472 0.50 11.58 C +ATOM 90 CG2BILE A 12 23.251 12.914 -1.313 0.50 20.12 C +ATOM 91 CD1AILE A 12 25.926 12.085 0.654 0.50 14.05 C +ATOM 92 CD1BILE A 12 25.929 14.640 -0.199 0.50 20.59 C +ATOM 93 N ASN A 13 22.187 16.108 -1.989 1.00 15.34 N +ATOM 94 CA ASN A 13 21.023 16.216 -2.841 1.00 16.45 C +ATOM 95 C ASN A 13 21.220 15.259 -3.988 1.00 14.74 C +ATOM 96 O ASN A 13 22.198 15.360 -4.685 1.00 16.07 O +ATOM 97 CB ASN A 13 20.899 17.635 -3.356 1.00 16.73 C +ATOM 98 CG ASN A 13 19.567 17.916 -3.969 1.00 20.83 C +ATOM 99 OD1 ASN A 13 18.889 17.017 -4.496 1.00 20.72 O +ATOM 100 ND2 ASN A 13 19.186 19.186 -3.932 1.00 26.87 N +ATOM 101 N CYS A 14 20.296 14.338 -4.169 1.00 16.45 N +ATOM 102 CA ACYS A 14 20.423 13.359 -5.232 0.50 20.35 C +ATOM 103 CA BCYS A 14 20.393 13.331 -5.205 0.50 20.67 C +ATOM 104 C CYS A 14 19.499 13.663 -6.397 1.00 22.30 C +ATOM 105 O CYS A 14 19.331 12.828 -7.321 1.00 27.69 O +ATOM 106 CB ACYS A 14 20.233 11.964 -4.666 0.50 26.70 C +ATOM 107 CB BCYS A 14 20.049 11.983 -4.591 0.50 27.36 C +ATOM 108 SG ACYS A 14 21.795 11.223 -4.200 0.50 26.79 S +ATOM 109 SG BCYS A 14 21.132 11.543 -3.214 0.50 26.17 S +ATOM 110 N GLY A 15 18.965 14.865 -6.421 1.00 22.60 N +ATOM 111 CA GLY A 15 18.145 15.296 -7.576 1.00 24.77 C +ATOM 112 C GLY A 15 16.671 15.115 -7.302 1.00 24.32 C +ATOM 113 O GLY A 15 16.275 14.619 -6.247 1.00 24.73 O +ATOM 114 N ASP A 16 15.859 15.438 -8.307 1.00 24.89 N +ATOM 115 CA ASP A 16 14.425 15.535 -8.115 1.00 29.07 C +ATOM 116 C ASP A 16 13.804 14.276 -7.613 1.00 24.98 C +ATOM 117 O ASP A 16 12.837 14.347 -6.892 1.00 30.39 O +ATOM 118 CB ASP A 16 13.711 15.882 -9.432 1.00 37.68 C +ATOM 119 CG ASP A 16 14.043 17.262 -9.923 1.00 48.65 C +ATOM 120 OD1 ASP A 16 14.253 18.149 -9.068 1.00 56.17 O +ATOM 121 OD2 ASP A 16 14.086 17.454 -11.165 1.00 51.65 O +ATOM 122 N SER A 17 14.294 13.128 -8.084 1.00 24.15 N +ATOM 123 CA ASER A 17 13.610 11.862 -7.788 0.50 25.11 C +ATOM 124 CA BSER A 17 13.666 11.823 -7.822 0.50 24.54 C +ATOM 125 C SER A 17 13.814 11.296 -6.380 1.00 31.06 C +ATOM 126 O SER A 17 12.908 10.683 -5.824 1.00 42.96 O +ATOM 127 CB ASER A 17 13.968 10.802 -8.818 0.50 35.07 C +ATOM 128 CB BSER A 17 14.119 10.746 -8.855 0.50 31.69 C +ATOM 129 OG ASER A 17 13.196 10.985 -9.987 0.50 33.41 O +ATOM 130 OG BSER A 17 15.530 10.637 -9.132 0.50 20.99 O +ATOM 131 N LEU A 18 14.968 11.524 -5.764 1.00 22.72 N +ATOM 132 CA LEU A 18 15.233 11.035 -4.392 1.00 22.31 C +ATOM 133 C LEU A 18 15.361 12.108 -3.328 1.00 22.72 C +ATOM 134 O LEU A 18 15.208 11.816 -2.111 1.00 22.47 O +ATOM 135 CB LEU A 18 16.496 10.186 -4.353 1.00 23.59 C +ATOM 136 CG LEU A 18 16.411 8.792 -4.954 1.00 21.42 C +ATOM 137 CD1 LEU A 18 17.754 8.102 -4.790 1.00 28.00 C +ATOM 138 CD2 LEU A 18 15.335 8.020 -4.306 1.00 28.76 C +ATOM 139 N GLY A 19 15.695 13.318 -3.725 1.00 20.58 N +ATOM 140 CA GLY A 19 15.778 14.410 -2.756 1.00 19.08 C +ATOM 141 C GLY A 19 17.051 14.366 -1.900 1.00 17.85 C +ATOM 142 O GLY A 19 18.118 13.949 -2.357 1.00 18.16 O +ATOM 143 N VAL A 20 16.922 14.882 -0.668 1.00 17.17 N +ATOM 144 CA VAL A 20 18.054 15.311 0.106 1.00 15.83 C +ATOM 145 C VAL A 20 18.175 14.409 1.327 1.00 14.66 C +ATOM 146 O VAL A 20 17.155 14.076 1.999 1.00 16.67 O +ATOM 147 CB VAL A 20 17.914 16.768 0.518 1.00 17.96 C +ATOM 148 CG1 VAL A 20 19.041 17.233 1.412 1.00 20.82 C +ATOM 149 CG2 VAL A 20 17.854 17.633 -0.748 1.00 25.18 C +ATOM 150 N TYR A 21 19.394 13.975 1.624 1.00 13.57 N +ATOM 151 CA TYR A 21 19.724 13.140 2.788 1.00 12.84 C +ATOM 152 C TYR A 21 20.782 13.841 3.594 1.00 14.65 C +ATOM 153 O TYR A 21 21.741 14.372 2.998 1.00 15.78 O +ATOM 154 CB TYR A 21 20.201 11.754 2.327 1.00 13.32 C +ATOM 155 CG TYR A 21 19.131 11.021 1.581 1.00 14.78 C +ATOM 156 CD1 TYR A 21 18.885 11.326 0.252 1.00 16.95 C +ATOM 157 CD2 TYR A 21 18.310 10.112 2.206 1.00 16.00 C +ATOM 158 CE1 TYR A 21 17.878 10.767 -0.471 1.00 19.53 C +ATOM 159 CE2 TYR A 21 17.257 9.488 1.450 1.00 18.65 C +ATOM 160 CZ TYR A 21 17.066 9.894 0.153 1.00 20.40 C +ATOM 161 OH TYR A 21 16.044 9.312 -0.540 1.00 26.39 O +ATOM 162 N GLN A 22 20.645 13.829 4.914 1.00 14.01 N +ATOM 163 CA GLN A 22 21.638 14.455 5.749 1.00 13.98 C +ATOM 164 C GLN A 22 22.159 13.453 6.792 1.00 13.51 C +ATOM 165 O GLN A 22 21.400 12.654 7.310 1.00 15.98 O +ATOM 166 CB GLN A 22 21.089 15.677 6.484 1.00 18.66 C +ATOM 167 CG GLN A 22 20.369 16.643 5.574 1.00 23.25 C +ATOM 168 CD GLN A 22 20.163 18.013 6.174 1.00 34.58 C +ATOM 169 OE1 GLN A 22 19.975 18.150 7.373 1.00 40.56 O +ATOM 170 NE2 GLN A 22 20.154 19.029 5.326 1.00 47.52 N +ATOM 171 N GLY A 23 23.454 13.462 7.050 1.00 12.56 N +ATOM 172 CA GLY A 23 24.025 12.544 8.019 1.00 15.43 C +ATOM 173 C GLY A 23 25.499 12.593 8.118 1.00 14.22 C +ATOM 174 O GLY A 23 26.175 13.247 7.332 1.00 13.07 O +ATOM 175 N ARG A 24 26.027 11.906 9.094 1.00 15.96 N +ATOM 176 CA ARG A 24 27.437 11.679 9.171 1.00 12.67 C +ATOM 177 C ARG A 24 27.989 10.743 8.102 1.00 14.02 C +ATOM 178 O ARG A 24 27.437 9.666 7.891 1.00 16.28 O +ATOM 179 CB ARG A 24 27.701 11.126 10.574 1.00 19.66 C +ATOM 180 CG ARG A 24 29.154 10.743 10.789 1.00 23.67 C +ATOM 181 CD ARG A 24 29.930 11.716 11.465 1.00 27.63 C +ATOM 182 NE ARG A 24 29.403 12.003 12.798 1.00 37.46 N +ATOM 183 CZ ARG A 24 29.752 13.092 13.466 1.00 34.14 C +ATOM 184 NH1 ARG A 24 30.603 13.978 12.949 1.00 34.44 N +ATOM 185 NH2 ARG A 24 29.226 13.331 14.640 1.00 29.33 N +ATOM 186 N VAL A 25 29.099 11.129 7.488 1.00 14.89 N +ATOM 187 CA VAL A 25 29.801 10.309 6.498 1.00 15.20 C +ATOM 188 C VAL A 25 30.588 9.224 7.228 1.00 15.60 C +ATOM 189 O VAL A 25 31.596 9.524 7.918 1.00 18.84 O +ATOM 190 CB VAL A 25 30.723 11.120 5.570 1.00 15.98 C +ATOM 191 CG1 VAL A 25 31.430 10.217 4.585 1.00 17.25 C +ATOM 192 CG2 VAL A 25 29.874 12.178 4.832 1.00 16.27 C +ATOM 193 N SER A 26 30.084 8.001 7.132 1.00 15.59 N +ATOM 194 CA SER A 26 30.690 6.852 7.782 1.00 17.62 C +ATOM 195 C SER A 26 31.658 6.113 6.931 1.00 18.61 C +ATOM 196 O SER A 26 32.425 5.306 7.443 1.00 20.42 O +ATOM 197 CB SER A 26 29.609 5.888 8.235 1.00 21.73 C +ATOM 198 OG SER A 26 28.737 5.556 7.164 1.00 25.33 O +ATOM 199 N ALA A 27 31.544 6.289 5.633 1.00 17.83 N +ATOM 200 CA ALA A 27 32.435 5.600 4.692 1.00 17.19 C +ATOM 201 C ALA A 27 32.560 6.322 3.385 1.00 18.90 C +ATOM 202 O ALA A 27 31.613 6.993 2.956 1.00 19.22 O +ATOM 203 CB ALA A 27 32.000 4.058 4.495 1.00 20.12 C +ATOM 204 N VAL A 28 33.721 6.180 2.725 1.00 20.31 N +ATOM 205 CA VAL A 28 33.924 6.695 1.370 1.00 19.06 C +ATOM 206 C VAL A 28 34.673 5.604 0.608 1.00 24.81 C +ATOM 207 O VAL A 28 35.730 5.167 1.042 1.00 28.70 O +ATOM 208 CB VAL A 28 34.761 7.997 1.329 1.00 24.86 C +ATOM 209 CG1 VAL A 28 35.052 8.447 -0.109 1.00 33.74 C +ATOM 210 CG2 VAL A 28 34.104 9.115 2.113 1.00 22.84 C +ATOM 211 N ASP A 29 34.161 5.190 -0.532 1.00 21.82 N +ATOM 212 CA ASP A 29 34.806 4.152 -1.344 1.00 23.83 C +ATOM 213 C ASP A 29 35.348 4.799 -2.592 1.00 20.95 C +ATOM 214 O ASP A 29 34.568 5.185 -3.477 1.00 23.47 O +ATOM 215 CB ASP A 29 33.801 3.050 -1.683 1.00 24.99 C +ATOM 216 CG ASP A 29 34.418 1.940 -2.525 1.00 31.24 C +ATOM 217 OD1 ASP A 29 35.494 2.153 -3.099 1.00 31.48 O +ATOM 218 OD2 ASP A 29 33.780 0.877 -2.647 1.00 38.58 O +ATOM 219 N GLN A 30 36.670 4.936 -2.693 1.00 26.40 N +ATOM 220 CA GLN A 30 37.272 5.610 -3.859 1.00 30.94 C +ATOM 221 C GLN A 30 37.165 4.815 -5.157 1.00 32.51 C +ATOM 222 O GLN A 30 37.147 5.385 -6.241 1.00 43.46 O +ATOM 223 CB GLN A 30 38.743 5.952 -3.595 1.00 40.67 C +ATOM 224 CG GLN A 30 38.929 6.975 -2.507 1.00 46.73 C +ATOM 225 CD GLN A 30 40.368 7.465 -2.439 1.00 56.89 C +ATOM 226 OE1 GLN A 30 41.066 7.248 -1.442 1.00 66.37 O +ATOM 227 NE2 GLN A 30 40.828 8.111 -3.510 1.00 62.28 N +ATOM 228 N VAL A 31 37.059 3.503 -5.050 1.00 28.03 N +ATOM 229 CA VAL A 31 37.005 2.678 -6.255 1.00 28.74 C +ATOM 230 C VAL A 31 35.624 2.739 -6.880 1.00 31.06 C +ATOM 231 O VAL A 31 35.501 3.030 -8.056 1.00 30.82 O +ATOM 232 CB VAL A 31 37.363 1.228 -5.936 1.00 31.65 C +ATOM 233 CG1 VAL A 31 37.411 0.405 -7.250 1.00 33.95 C +ATOM 234 CG2 VAL A 31 38.691 1.156 -5.183 1.00 39.68 C +ATOM 235 N SER A 32 34.587 2.485 -6.091 1.00 33.12 N +ATOM 236 CA ASER A 32 33.211 2.557 -6.588 0.50 26.85 C +ATOM 237 CA BSER A 32 33.202 2.558 -6.569 0.50 26.64 C +ATOM 238 C SER A 32 32.692 4.006 -6.608 1.00 21.16 C +ATOM 239 O SER A 32 31.610 4.277 -7.117 1.00 26.88 O +ATOM 240 CB ASER A 32 32.300 1.676 -5.752 0.50 33.98 C +ATOM 241 CB BSER A 32 32.299 1.754 -5.659 0.50 31.93 C +ATOM 242 OG ASER A 32 32.671 0.311 -5.888 0.50 36.18 O +ATOM 243 OG BSER A 32 32.274 2.335 -4.374 0.50 34.61 O +ATOM 244 N GLN A 33 33.451 4.934 -6.046 1.00 20.62 N +ATOM 245 CA GLN A 33 33.084 6.331 -6.045 1.00 20.77 C +ATOM 246 C GLN A 33 31.763 6.547 -5.301 1.00 17.23 C +ATOM 247 O GLN A 33 30.807 7.158 -5.815 1.00 19.43 O +ATOM 248 CB GLN A 33 33.037 6.899 -7.466 1.00 22.01 C +ATOM 249 CG GLN A 33 34.402 6.883 -8.163 1.00 26.62 C +ATOM 250 CD GLN A 33 34.414 7.539 -9.558 1.00 27.57 C +ATOM 251 OE1 GLN A 33 33.464 7.442 -10.318 1.00 39.92 O +ATOM 252 NE2 GLN A 33 35.503 8.206 -9.869 1.00 36.61 N +ATOM 253 N THR A 34 31.720 6.063 -4.067 1.00 17.50 N +ATOM 254 CA THR A 34 30.524 6.193 -3.229 1.00 17.00 C +ATOM 255 C THR A 34 30.840 6.857 -1.898 1.00 15.28 C +ATOM 256 O THR A 34 31.961 6.878 -1.402 1.00 18.32 O +ATOM 257 CB THR A 34 29.856 4.828 -2.975 1.00 17.39 C +ATOM 258 OG1 THR A 34 30.714 4.047 -2.195 1.00 19.78 O +ATOM 259 CG2 THR A 34 29.532 4.065 -4.261 1.00 19.70 C +ATOM 260 N ILE A 35 29.774 7.313 -1.305 1.00 15.61 N +ATOM 261 CA AILE A 35 29.812 7.911 0.003 0.50 17.02 C +ATOM 262 CA BILE A 35 29.756 8.013 0.006 0.50 15.36 C +ATOM 263 C ILE A 35 28.629 7.383 0.839 1.00 14.27 C +ATOM 264 O ILE A 35 27.495 7.267 0.329 1.00 15.49 O +ATOM 265 CB AILE A 35 29.841 9.407 -0.157 0.50 17.07 C +ATOM 266 CB BILE A 35 29.491 9.543 -0.104 0.50 15.89 C +ATOM 267 CG1AILE A 35 30.036 10.111 1.183 0.50 18.08 C +ATOM 268 CG1BILE A 35 30.563 10.262 -0.940 0.50 18.52 C +ATOM 269 CG2AILE A 35 28.603 9.872 -0.930 0.50 20.63 C +ATOM 270 CG2BILE A 35 29.418 10.239 1.293 0.50 17.14 C +ATOM 271 CD1AILE A 35 30.273 11.600 1.011 0.50 20.27 C +ATOM 272 CD1BILE A 35 30.236 11.792 -1.203 0.50 19.10 C +ATOM 273 N SER A 36 28.928 6.974 2.067 1.00 14.96 N +ATOM 274 CA SER A 36 27.913 6.347 2.964 1.00 14.61 C +ATOM 275 C SER A 36 27.591 7.239 4.110 1.00 13.23 C +ATOM 276 O SER A 36 28.518 7.816 4.738 1.00 15.60 O +ATOM 277 CB SER A 36 28.441 5.013 3.497 1.00 16.30 C +ATOM 278 OG SER A 36 28.821 4.128 2.423 1.00 17.23 O +ATOM 279 N LEU A 37 26.300 7.368 4.410 1.00 13.73 N +ATOM 280 CA LEU A 37 25.805 8.116 5.568 1.00 13.89 C +ATOM 281 C LEU A 37 25.210 7.169 6.594 1.00 14.60 C +ATOM 282 O LEU A 37 24.502 6.248 6.271 1.00 15.77 O +ATOM 283 CB LEU A 37 24.721 9.108 5.175 1.00 15.10 C +ATOM 284 CG LEU A 37 25.067 10.142 4.096 1.00 14.18 C +ATOM 285 CD1 LEU A 37 23.916 11.079 3.941 1.00 16.07 C +ATOM 286 CD2 LEU A 37 26.450 10.843 4.371 1.00 15.05 C +ATOM 287 N THR A 38 25.561 7.397 7.855 1.00 15.40 N +ATOM 288 CA ATHR A 38 24.948 6.613 8.918 0.50 16.69 C +ATOM 289 CA BTHR A 38 24.974 6.675 8.984 0.50 15.87 C +ATOM 290 C THR A 38 23.749 7.370 9.519 1.00 17.57 C +ATOM 291 O THR A 38 23.741 8.587 9.658 1.00 19.03 O +ATOM 292 CB ATHR A 38 25.980 6.033 9.976 0.50 19.37 C +ATOM 293 CB BTHR A 38 25.941 6.505 10.153 0.50 16.08 C +ATOM 294 OG1ATHR A 38 25.303 5.664 11.205 0.50 17.05 O +ATOM 295 OG1BTHR A 38 26.368 7.776 10.671 0.50 25.65 O +ATOM 296 CG2ATHR A 38 27.118 7.000 10.245 0.50 17.06 C +ATOM 297 CG2BTHR A 38 27.067 5.706 9.685 0.50 17.22 C +ATOM 298 N ARG A 39 22.724 6.614 9.811 1.00 17.81 N +ATOM 299 CA AARG A 39 21.522 7.159 10.427 0.50 17.07 C +ATOM 300 CA BARG A 39 21.423 7.084 10.333 0.50 16.28 C +ATOM 301 C ARG A 39 21.033 8.434 9.729 1.00 18.99 C +ATOM 302 O ARG A 39 20.776 9.442 10.405 1.00 19.96 O +ATOM 303 CB AARG A 39 21.776 7.445 11.935 0.50 21.37 C +ATOM 304 CB BARG A 39 21.328 7.013 11.877 0.50 17.32 C +ATOM 305 CG AARG A 39 22.130 6.185 12.707 0.50 21.47 C +ATOM 306 CG BARG A 39 21.609 5.569 12.388 0.50 18.09 C +ATOM 307 CD AARG A 39 22.110 6.404 14.199 0.50 20.43 C +ATOM 308 CD BARG A 39 22.033 5.541 13.836 0.50 22.72 C +ATOM 309 NE AARG A 39 23.457 6.361 14.713 0.50 26.49 N +ATOM 310 NE BARG A 39 22.700 4.294 14.208 0.50 30.36 N +ATOM 311 CZ AARG A 39 24.175 7.400 15.134 0.50 29.04 C +ATOM 312 CZ BARG A 39 22.091 3.131 14.428 0.50 34.22 C +ATOM 313 NH1AARG A 39 23.705 8.668 15.126 0.50 20.10 N +ATOM 314 NH1BARG A 39 20.765 3.006 14.282 0.50 37.08 N +ATOM 315 NH2AARG A 39 25.401 7.148 15.564 0.50 24.57 N +ATOM 316 NH2BARG A 39 22.816 2.078 14.786 0.50 34.82 N +ATOM 317 N PRO A 40 20.941 8.433 8.406 1.00 17.63 N +ATOM 318 CA PRO A 40 20.592 9.659 7.764 1.00 16.24 C +ATOM 319 C PRO A 40 19.147 10.055 7.967 1.00 16.48 C +ATOM 320 O PRO A 40 18.299 9.229 8.301 1.00 20.02 O +ATOM 321 CB PRO A 40 20.806 9.357 6.272 1.00 18.16 C +ATOM 322 CG PRO A 40 20.615 7.950 6.189 1.00 19.30 C +ATOM 323 CD PRO A 40 21.092 7.312 7.474 1.00 19.42 C +ATOM 324 N PHE A 41 18.902 11.340 7.808 1.00 14.92 N +ATOM 325 CA PHE A 41 17.602 11.980 7.765 1.00 16.71 C +ATOM 326 C PHE A 41 17.267 12.310 6.301 1.00 16.81 C +ATOM 327 O PHE A 41 18.128 12.617 5.497 1.00 19.14 O +ATOM 328 CB PHE A 41 17.620 13.297 8.555 1.00 18.71 C +ATOM 329 CG PHE A 41 17.122 13.186 9.972 1.00 20.67 C +ATOM 330 CD1 PHE A 41 17.772 12.381 10.835 1.00 18.24 C +ATOM 331 CD2 PHE A 41 16.042 13.927 10.416 1.00 19.71 C +ATOM 332 CE1 PHE A 41 17.303 12.220 12.177 1.00 17.92 C +ATOM 333 CE2 PHE A 41 15.601 13.803 11.750 1.00 21.16 C +ATOM 334 CZ PHE A 41 16.244 12.951 12.598 1.00 19.25 C +ATOM 335 N HIS A 42 15.987 12.294 6.043 1.00 16.87 N +ATOM 336 CA HIS A 42 15.374 12.617 4.806 1.00 19.65 C +ATOM 337 C HIS A 42 13.967 13.183 5.122 1.00 23.43 C +ATOM 338 O HIS A 42 13.228 12.584 5.910 1.00 25.85 O +ATOM 339 CB HIS A 42 15.286 11.319 3.967 1.00 19.59 C +ATOM 340 CG HIS A 42 14.603 11.502 2.654 1.00 19.99 C +ATOM 341 ND1 HIS A 42 15.155 12.264 1.641 1.00 21.62 N +ATOM 342 CD2 HIS A 42 13.432 11.026 2.175 1.00 22.85 C +ATOM 343 CE1 HIS A 42 14.341 12.255 0.595 1.00 23.13 C +ATOM 344 NE2 HIS A 42 13.299 11.503 0.892 1.00 27.64 N +ATOM 345 N ASN A 43 13.646 14.362 4.595 1.00 25.28 N +ATOM 346 CA ASN A 43 12.341 15.056 4.775 1.00 24.36 C +ATOM 347 C ASN A 43 12.096 15.320 6.284 1.00 28.61 C +ATOM 348 O ASN A 43 10.960 15.214 6.735 1.00 35.19 O +ATOM 349 CB ASN A 43 11.196 14.225 4.143 1.00 33.01 C +ATOM 350 CG ASN A 43 11.405 13.982 2.645 1.00 41.19 C +ATOM 351 OD1 ASN A 43 10.760 13.100 2.019 1.00 41.18 O +ATOM 352 ND2 ASN A 43 12.334 14.734 2.070 1.00 38.00 N +ATOM 353 N GLY A 44 13.163 15.611 7.055 1.00 26.67 N +ATOM 354 CA GLY A 44 13.027 15.926 8.488 1.00 28.91 C +ATOM 355 C GLY A 44 12.774 14.738 9.353 1.00 28.54 C +ATOM 356 O GLY A 44 12.513 14.895 10.565 1.00 33.98 O +ATOM 357 N VAL A 45 12.862 13.515 8.800 1.00 25.61 N +ATOM 358 CA VAL A 45 12.747 12.353 9.647 1.00 26.27 C +ATOM 359 C VAL A 45 13.861 11.372 9.364 1.00 22.48 C +ATOM 360 O VAL A 45 14.445 11.333 8.273 1.00 22.88 O +ATOM 361 CB VAL A 45 11.386 11.678 9.476 1.00 29.90 C +ATOM 362 CG1 VAL A 45 10.232 12.717 9.594 1.00 32.10 C +ATOM 363 CG2 VAL A 45 11.313 10.988 8.188 1.00 30.42 C +ATOM 364 N LYS A 46 14.243 10.631 10.392 1.00 20.15 N +ATOM 365 CA LYS A 46 15.310 9.668 10.361 1.00 20.24 C +ATOM 366 C LYS A 46 14.848 8.571 9.462 1.00 18.92 C +ATOM 367 O LYS A 46 13.707 8.085 9.536 1.00 21.37 O +ATOM 368 CB LYS A 46 15.654 9.122 11.766 1.00 21.82 C +ATOM 369 CG LYS A 46 16.901 8.304 11.765 1.00 23.34 C +ATOM 370 CD LYS A 46 17.548 7.980 13.108 1.00 24.49 C +ATOM 371 CE LYS A 46 16.647 7.275 14.041 1.00 31.48 C +ATOM 372 NZ LYS A 46 16.350 5.924 13.567 1.00 38.46 N +ATOM 373 N CYS A 47 15.720 8.204 8.536 1.00 18.06 N +ATOM 374 CA ACYS A 47 15.445 7.072 7.668 0.80 18.79 C +ATOM 375 CA BCYS A 47 15.508 7.076 7.650 0.20 19.88 C +ATOM 376 C CYS A 47 15.292 5.822 8.492 1.00 20.10 C +ATOM 377 O CYS A 47 15.903 5.664 9.537 1.00 22.55 O +ATOM 378 CB ACYS A 47 16.561 6.868 6.621 0.80 17.73 C +ATOM 379 CB BCYS A 47 16.748 6.906 6.747 0.20 17.81 C +ATOM 380 SG ACYS A 47 16.723 8.248 5.538 0.80 21.06 S +ATOM 381 SG BCYS A 47 16.619 5.734 5.363 0.20 19.14 S +ATOM 382 N LEU A 48 14.511 4.875 7.976 1.00 19.48 N +ATOM 383 CA LEU A 48 14.386 3.574 8.648 1.00 21.55 C +ATOM 384 C LEU A 48 15.624 2.709 8.435 1.00 24.08 C +ATOM 385 O LEU A 48 16.005 1.932 9.283 1.00 28.97 O +ATOM 386 CB LEU A 48 13.128 2.781 8.205 1.00 27.37 C +ATOM 387 CG LEU A 48 11.815 3.582 8.188 1.00 35.42 C +ATOM 388 CD1 LEU A 48 10.646 2.733 7.660 1.00 38.97 C +ATOM 389 CD2 LEU A 48 11.495 4.141 9.585 1.00 35.62 C +ATOM 390 N VAL A 49 16.326 2.870 7.324 1.00 20.75 N +ATOM 391 CA VAL A 49 17.591 2.124 7.129 1.00 20.76 C +ATOM 392 C VAL A 49 18.770 2.833 7.781 1.00 17.41 C +ATOM 393 O VAL A 49 18.872 4.043 7.632 1.00 22.23 O +ATOM 394 CB VAL A 49 17.830 1.878 5.618 1.00 24.12 C +ATOM 395 CG1 VAL A 49 19.200 1.273 5.398 1.00 25.50 C +ATOM 396 CG2 VAL A 49 16.672 0.986 5.102 1.00 27.35 C +ATOM 397 N PRO A 50 19.657 2.110 8.494 1.00 18.73 N +ATOM 398 CA PRO A 50 20.703 2.760 9.296 1.00 20.25 C +ATOM 399 C PRO A 50 21.904 3.258 8.504 1.00 16.85 C +ATOM 400 O PRO A 50 22.712 3.988 9.044 1.00 19.29 O +ATOM 401 CB PRO A 50 21.108 1.687 10.348 1.00 22.72 C +ATOM 402 CG PRO A 50 20.809 0.450 9.676 1.00 22.75 C +ATOM 403 CD PRO A 50 19.581 0.678 8.852 1.00 21.13 C +ATOM 404 N GLU A 51 22.090 2.811 7.253 1.00 16.58 N +ATOM 405 CA AGLU A 51 23.218 3.235 6.420 0.50 18.16 C +ATOM 406 CA BGLU A 51 23.243 3.200 6.476 0.50 21.44 C +ATOM 407 C GLU A 51 22.770 3.296 5.029 1.00 16.05 C +ATOM 408 O GLU A 51 22.186 2.345 4.532 1.00 17.15 O +ATOM 409 CB AGLU A 51 24.414 2.308 6.439 0.50 14.13 C +ATOM 410 CB BGLU A 51 24.354 2.174 6.676 0.50 23.03 C +ATOM 411 CG AGLU A 51 25.622 2.913 5.713 0.50 16.40 C +ATOM 412 CG BGLU A 51 25.624 2.300 5.827 0.50 25.47 C +ATOM 413 CD AGLU A 51 26.723 1.918 5.365 0.50 21.85 C +ATOM 414 CD BGLU A 51 26.631 3.324 6.338 0.50 32.03 C +ATOM 415 OE1AGLU A 51 26.790 0.862 5.990 0.50 25.86 O +ATOM 416 OE1BGLU A 51 27.763 2.946 6.705 0.50 33.48 O +ATOM 417 OE2AGLU A 51 27.517 2.178 4.421 0.50 27.02 O +ATOM 418 OE2BGLU A 51 26.313 4.519 6.333 0.50 35.25 O +ATOM 419 N VAL A 52 23.015 4.427 4.383 1.00 13.67 N +ATOM 420 CA VAL A 52 22.656 4.569 2.954 1.00 15.62 C +ATOM 421 C VAL A 52 23.877 5.015 2.186 1.00 13.56 C +ATOM 422 O VAL A 52 24.580 5.919 2.659 1.00 15.06 O +ATOM 423 CB VAL A 52 21.475 5.556 2.737 1.00 16.41 C +ATOM 424 CG1 VAL A 52 21.144 5.630 1.193 1.00 19.86 C +ATOM 425 CG2 VAL A 52 20.212 5.165 3.525 1.00 20.58 C +ATOM 426 N THR A 53 24.107 4.373 1.040 1.00 15.13 N +ATOM 427 CA THR A 53 25.304 4.594 0.273 1.00 14.23 C +ATOM 428 C THR A 53 24.921 5.142 -1.118 1.00 13.05 C +ATOM 429 O THR A 53 24.063 4.564 -1.809 1.00 14.46 O +ATOM 430 CB THR A 53 26.122 3.327 0.166 1.00 14.77 C +ATOM 431 OG1 THR A 53 26.567 2.972 1.513 1.00 17.12 O +ATOM 432 CG2 THR A 53 27.292 3.461 -0.781 1.00 17.40 C +ATOM 433 N PHE A 54 25.556 6.264 -1.462 1.00 12.48 N +ATOM 434 CA PHE A 54 25.238 7.024 -2.666 1.00 14.19 C +ATOM 435 C PHE A 54 26.418 7.014 -3.598 1.00 14.96 C +ATOM 436 O PHE A 54 27.540 7.146 -3.147 1.00 16.15 O +ATOM 437 CB PHE A 54 24.947 8.479 -2.265 1.00 16.39 C +ATOM 438 CG PHE A 54 23.870 8.631 -1.213 1.00 20.12 C +ATOM 439 CD1 PHE A 54 24.147 8.572 0.164 1.00 19.92 C +ATOM 440 CD2 PHE A 54 22.606 8.808 -1.608 1.00 22.73 C +ATOM 441 CE1 PHE A 54 23.131 8.706 1.074 1.00 20.38 C +ATOM 442 CE2 PHE A 54 21.559 8.938 -0.678 1.00 20.12 C +ATOM 443 CZ PHE A 54 21.845 8.909 0.653 1.00 20.61 C +ATOM 444 N ARG A 55 26.170 6.957 -4.911 1.00 14.71 N +ATOM 445 CA ARG A 55 27.248 7.201 -5.864 1.00 16.29 C +ATOM 446 C ARG A 55 27.487 8.680 -5.984 1.00 16.22 C +ATOM 447 O ARG A 55 26.539 9.467 -6.175 1.00 14.97 O +ATOM 448 CB ARG A 55 26.904 6.603 -7.215 1.00 18.28 C +ATOM 449 CG ARG A 55 26.714 5.117 -7.267 1.00 25.30 C +ATOM 450 CD ARG A 55 26.534 4.595 -8.738 1.00 33.23 C +ATOM 451 NE ARG A 55 25.355 5.215 -9.350 1.00 45.94 N +ATOM 452 CZ ARG A 55 25.019 5.147 -10.639 1.00 47.70 C +ATOM 453 NH1 ARG A 55 25.746 4.456 -11.522 1.00 58.78 N +ATOM 454 NH2 ARG A 55 23.922 5.754 -11.041 1.00 49.68 N +ATOM 455 N ALA A 56 28.756 9.066 -6.004 1.00 16.67 N +ATOM 456 CA ALA A 56 29.102 10.486 -6.107 1.00 19.66 C +ATOM 457 C ALA A 56 28.530 11.121 -7.371 1.00 18.25 C +ATOM 458 O ALA A 56 28.099 12.254 -7.347 1.00 20.92 O +ATOM 459 CB ALA A 56 30.615 10.678 -6.090 1.00 22.66 C +ATOM 460 N GLY A 57 28.436 10.318 -8.413 1.00 19.99 N +ATOM 461 CA GLY A 57 27.904 10.746 -9.687 1.00 20.79 C +ATOM 462 C GLY A 57 26.442 11.021 -9.725 1.00 20.03 C +ATOM 463 O GLY A 57 25.924 11.609 -10.710 1.00 21.77 O +ATOM 464 N ASP A 58 25.732 10.615 -8.670 1.00 17.60 N +ATOM 465 CA ASP A 58 24.324 10.924 -8.521 1.00 15.95 C +ATOM 466 C ASP A 58 24.021 12.163 -7.696 1.00 16.44 C +ATOM 467 O ASP A 58 22.858 12.505 -7.528 1.00 19.48 O +ATOM 468 CB ASP A 58 23.556 9.726 -8.053 1.00 18.34 C +ATOM 469 CG ASP A 58 23.610 8.589 -9.035 1.00 20.39 C +ATOM 470 OD1 ASP A 58 23.725 8.859 -10.230 1.00 23.90 O +ATOM 471 OD2 ASP A 58 23.544 7.455 -8.632 1.00 20.28 O +ATOM 472 N ILE A 59 25.048 12.768 -7.103 1.00 14.85 N +ATOM 473 CA ILE A 59 24.857 13.886 -6.195 1.00 13.30 C +ATOM 474 C ILE A 59 24.897 15.174 -6.985 1.00 14.54 C +ATOM 475 O ILE A 59 25.860 15.429 -7.678 1.00 18.33 O +ATOM 476 CB ILE A 59 25.954 13.832 -5.110 1.00 15.10 C +ATOM 477 CG1 ILE A 59 25.873 12.521 -4.287 1.00 15.96 C +ATOM 478 CG2 ILE A 59 25.813 15.006 -4.228 1.00 16.76 C +ATOM 479 CD1 ILE A 59 27.039 12.307 -3.286 1.00 17.80 C +ATOM 480 N THR A 60 23.885 16.004 -6.809 1.00 14.86 N +ATOM 481 CA THR A 60 23.860 17.298 -7.456 1.00 15.30 C +ATOM 482 C THR A 60 24.429 18.415 -6.635 1.00 15.56 C +ATOM 483 O THR A 60 24.976 19.382 -7.137 1.00 17.85 O +ATOM 484 CB THR A 60 22.430 17.663 -7.895 1.00 16.50 C +ATOM 485 OG1 THR A 60 21.586 17.869 -6.744 1.00 18.86 O +ATOM 486 CG2 THR A 60 21.815 16.595 -8.818 1.00 18.70 C +ATOM 487 N GLU A 61 24.433 18.262 -5.299 1.00 14.29 N +ATOM 488 CA GLU A 61 25.011 19.227 -4.362 1.00 14.65 C +ATOM 489 C GLU A 61 25.392 18.524 -3.096 1.00 13.95 C +ATOM 490 O GLU A 61 24.591 17.754 -2.527 1.00 14.24 O +ATOM 491 CB GLU A 61 24.084 20.373 -3.998 1.00 18.34 C +ATOM 492 CG GLU A 61 24.712 21.454 -3.041 1.00 19.25 C +ATOM 493 CD GLU A 61 23.771 22.543 -2.607 1.00 22.02 C +ATOM 494 OE1 GLU A 61 22.547 22.456 -2.923 1.00 24.83 O +ATOM 495 OE2 GLU A 61 24.245 23.499 -1.912 1.00 21.09 O +ATOM 496 N LEU A 62 26.576 18.829 -2.591 1.00 14.88 N +ATOM 497 CA LEU A 62 27.013 18.299 -1.288 1.00 12.99 C +ATOM 498 C LEU A 62 27.232 19.535 -0.419 1.00 13.77 C +ATOM 499 O LEU A 62 28.020 20.401 -0.751 1.00 15.70 O +ATOM 500 CB LEU A 62 28.292 17.489 -1.427 1.00 14.91 C +ATOM 501 CG LEU A 62 28.846 16.814 -0.129 1.00 18.10 C +ATOM 502 CD1 LEU A 62 29.654 15.584 -0.530 1.00 26.96 C +ATOM 503 CD2 LEU A 62 29.654 17.779 0.735 1.00 26.16 C +ATOM 504 N LYS A 63 26.523 19.609 0.711 1.00 13.02 N +ATOM 505 CA ALYS A 63 26.747 20.700 1.660 0.50 15.22 C +ATOM 506 CA BLYS A 63 26.689 20.686 1.667 0.50 14.57 C +ATOM 507 C LYS A 63 27.434 20.127 2.861 1.00 13.06 C +ATOM 508 O LYS A 63 27.006 19.103 3.432 1.00 13.50 O +ATOM 509 CB ALYS A 63 25.497 21.432 2.095 0.50 13.90 C +ATOM 510 CB BLYS A 63 25.346 21.261 2.053 0.50 18.17 C +ATOM 511 CG ALYS A 63 24.478 21.768 1.040 0.50 16.38 C +ATOM 512 CG BLYS A 63 25.417 22.429 2.985 0.50 18.26 C +ATOM 513 CD ALYS A 63 23.319 22.482 1.705 0.50 23.32 C +ATOM 514 CD BLYS A 63 24.066 23.124 3.178 0.50 23.25 C +ATOM 515 CE ALYS A 63 22.076 22.484 0.848 0.50 27.65 C +ATOM 516 CE BLYS A 63 24.180 24.287 4.163 0.50 25.86 C +ATOM 517 NZ ALYS A 63 20.981 23.215 1.535 0.50 27.58 N +ATOM 518 NZ BLYS A 63 22.893 25.029 4.217 0.50 29.51 N +ATOM 519 N ILE A 64 28.491 20.808 3.275 1.00 11.97 N +ATOM 520 CA AILE A 64 29.255 20.408 4.453 0.50 11.30 C +ATOM 521 CA BILE A 64 29.245 20.401 4.459 0.50 11.54 C +ATOM 522 C ILE A 64 28.653 21.105 5.684 1.00 15.19 C +ATOM 523 O ILE A 64 28.842 22.315 5.862 1.00 16.71 O +ATOM 524 CB AILE A 64 30.755 20.768 4.275 0.50 13.34 C +ATOM 525 CB BILE A 64 30.751 20.732 4.311 0.50 14.67 C +ATOM 526 CG1AILE A 64 31.295 20.327 2.906 0.50 15.96 C +ATOM 527 CG1BILE A 64 31.428 19.931 3.175 0.50 14.11 C +ATOM 528 CG2AILE A 64 31.607 20.121 5.387 0.50 14.06 C +ATOM 529 CG2BILE A 64 31.483 20.492 5.654 0.50 19.49 C +ATOM 530 CD1AILE A 64 32.738 20.745 2.622 0.50 17.82 C +ATOM 531 CD1BILE A 64 30.908 18.483 2.964 0.50 19.90 C +ATOM 532 N LEU A 65 27.888 20.358 6.466 1.00 13.02 N +ATOM 533 CA LEU A 65 27.268 20.895 7.679 1.00 14.40 C +ATOM 534 C LEU A 65 28.259 20.978 8.855 1.00 16.46 C +ATOM 535 O LEU A 65 28.167 21.906 9.633 1.00 19.18 O +ATOM 536 CB LEU A 65 26.066 20.038 8.057 1.00 15.20 C +ATOM 537 CG LEU A 65 25.021 19.825 6.945 1.00 18.00 C +ATOM 538 CD1 LEU A 65 23.905 18.845 7.412 1.00 19.56 C +ATOM 539 CD2 LEU A 65 24.502 21.139 6.410 1.00 22.76 C +ATOM 540 N GLU A 66 29.179 20.035 8.918 1.00 14.57 N +ATOM 541 CA AGLU A 66 30.244 20.035 9.939 0.50 14.78 C +ATOM 542 CA BGLU A 66 30.248 20.075 9.921 0.50 17.06 C +ATOM 543 C GLU A 66 31.437 19.381 9.311 1.00 16.46 C +ATOM 544 O GLU A 66 31.305 18.313 8.701 1.00 15.27 O +ATOM 545 CB AGLU A 66 29.819 19.217 11.195 0.50 17.08 C +ATOM 546 CB BGLU A 66 29.852 19.345 11.230 0.50 25.64 C +ATOM 547 CG AGLU A 66 30.643 19.488 12.495 0.50 17.03 C +ATOM 548 CG BGLU A 66 28.423 19.573 11.778 0.50 26.33 C +ATOM 549 CD AGLU A 66 30.330 20.844 13.111 0.50 19.52 C +ATOM 550 CD BGLU A 66 28.283 20.687 12.782 0.50 37.01 C +ATOM 551 OE1AGLU A 66 29.139 21.210 13.172 0.50 26.89 O +ATOM 552 OE1BGLU A 66 29.256 21.432 13.042 0.50 41.20 O +ATOM 553 OE2AGLU A 66 31.269 21.559 13.535 0.50 22.72 O +ATOM 554 OE2BGLU A 66 27.160 20.802 13.316 0.50 36.94 O +ATOM 555 N ILE A 67 32.608 19.955 9.483 1.00 16.96 N +ATOM 556 CA ILE A 67 33.845 19.353 9.036 1.00 15.40 C +ATOM 557 C ILE A 67 34.238 18.180 9.899 1.00 16.87 C +ATOM 558 O ILE A 67 33.744 18.080 11.009 1.00 17.28 O +ATOM 559 CB ILE A 67 34.977 20.382 8.904 1.00 17.20 C +ATOM 560 CG1 ILE A 67 35.425 20.900 10.258 1.00 18.34 C +ATOM 561 CG2 ILE A 67 34.569 21.543 7.943 1.00 19.14 C +ATOM 562 CD1 ILE A 67 36.601 21.878 10.202 1.00 21.39 C +ATOM 563 N PRO A 68 35.107 17.298 9.393 1.00 16.30 N +ATOM 564 CA PRO A 68 35.553 16.224 10.251 1.00 16.01 C +ATOM 565 C PRO A 68 36.322 16.758 11.428 1.00 17.26 C +ATOM 566 O PRO A 68 37.075 17.718 11.296 1.00 18.61 O +ATOM 567 CB PRO A 68 36.489 15.432 9.356 1.00 17.52 C +ATOM 568 CG PRO A 68 36.050 15.741 7.981 1.00 17.05 C +ATOM 569 CD PRO A 68 35.766 17.196 8.060 1.00 18.22 C +ATOM 570 N GLY A 69 36.230 16.056 12.535 1.00 17.73 N +ATOM 571 CA GLY A 69 37.008 16.383 13.725 1.00 17.00 C +ATOM 572 C GLY A 69 38.389 15.838 13.557 1.00 20.71 C +ATOM 573 O GLY A 69 38.628 14.983 12.676 1.00 24.10 O +ATOM 574 N PRO A 70 39.294 16.259 14.446 1.00 22.93 N +ATOM 575 CA PRO A 70 40.725 16.008 14.306 1.00 25.21 C +ATOM 576 C PRO A 70 41.176 14.601 14.647 1.00 27.48 C +ATOM 577 O PRO A 70 42.354 14.263 14.397 1.00 34.56 O +ATOM 578 CB PRO A 70 41.352 17.022 15.282 1.00 26.10 C +ATOM 579 CG PRO A 70 40.301 17.257 16.280 1.00 23.89 C +ATOM 580 CD PRO A 70 38.966 17.116 15.588 1.00 19.77 C +ATOM 581 N GLY A 71 40.273 13.769 15.157 1.00 24.56 N +ATOM 582 CA GLY A 71 40.642 12.423 15.659 1.00 42.33 C +ATOM 583 C GLY A 71 40.383 11.299 14.669 1.00 47.79 C +ATOM 584 O GLY A 71 40.387 11.519 13.467 1.00 42.79 O +ATOM 585 N ASP A 72 40.149 10.089 15.161 1.00 51.18 N +ATOM 586 CA ASP A 72 39.931 8.966 14.259 1.00 53.94 C +ATOM 587 C ASP A 72 38.519 9.023 13.713 1.00 51.96 C +ATOM 588 O ASP A 72 37.540 8.884 14.455 1.00 54.18 O +ATOM 589 CB ASP A 72 40.156 7.607 14.919 1.00 57.94 C +ATOM 590 CG ASP A 72 39.915 6.459 13.950 1.00 64.80 C +ATOM 591 OD1 ASP A 72 40.776 6.231 13.073 1.00 71.68 O +ATOM 592 OD2 ASP A 72 38.857 5.800 14.043 1.00 68.13 O +ATOM 593 N ASN A 73 38.427 9.241 12.409 1.00 49.09 N +ATOM 594 CA ASN A 73 37.143 9.301 11.738 1.00 39.97 C +ATOM 595 C ASN A 73 36.830 7.970 11.040 1.00 49.70 C +ATOM 596 O ASN A 73 35.801 7.839 10.381 1.00 43.43 O +ATOM 597 CB ASN A 73 37.130 10.494 10.777 1.00 35.23 C +ATOM 598 CG ASN A 73 37.188 11.843 11.514 1.00 25.93 C +ATOM 599 OD1 ASN A 73 36.421 12.068 12.461 1.00 32.89 O +ATOM 600 ND2 ASN A 73 38.070 12.735 11.076 1.00 33.39 N +ATOM 601 N GLN A 74 37.734 6.994 11.175 1.00 54.02 N +ATOM 602 CA GLN A 74 37.484 5.632 10.712 1.00 59.07 C +ATOM 603 C GLN A 74 36.775 4.852 11.817 1.00 61.06 C +ATOM 604 O GLN A 74 35.578 4.593 11.732 1.00 63.29 O +ATOM 605 CB GLN A 74 38.795 4.927 10.338 1.00 62.88 C +ATOM 606 CG GLN A 74 39.530 5.507 9.123 1.00 67.65 C +ATOM 607 CD GLN A 74 38.925 5.090 7.790 1.00 67.58 C +ATOM 608 OE1 GLN A 74 37.839 4.506 7.735 1.00 70.43 O +ATOM 609 NE2 GLN A 74 39.626 5.400 6.703 1.00 67.27 N Added: SwiftApps/modFTdock/input/2vp7-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2vp7-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2vp7-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,774 @@ +ATOM 1 N MET A 332 14.445 -4.139 26.006 1.00 40.36 N +ATOM 2 CA MET A 332 13.225 -4.123 25.142 1.00 40.40 C +ATOM 3 C MET A 332 13.460 -3.374 23.822 1.00 39.20 C +ATOM 4 O MET A 332 14.036 -2.284 23.811 1.00 38.95 O +ATOM 5 CB MET A 332 12.045 -3.512 25.913 1.00 40.68 C +ATOM 6 CG MET A 332 10.703 -3.502 25.183 1.00 44.22 C +ATOM 7 SD MET A 332 10.069 -5.136 24.732 1.00 51.56 S +ATOM 8 CE MET A 332 9.543 -5.820 26.310 1.00 50.23 C +ATOM 9 N GLY A 333 13.024 -3.979 22.715 1.00 38.41 N +ATOM 10 CA GLY A 333 13.129 -3.377 21.386 1.00 37.20 C +ATOM 11 C GLY A 333 14.505 -3.451 20.730 1.00 36.84 C +ATOM 12 O GLY A 333 14.839 -2.611 19.881 1.00 36.57 O +ATOM 13 N HIS A 334 15.303 -4.458 21.108 1.00 35.46 N +ATOM 14 CA HIS A 334 16.647 -4.652 20.539 1.00 34.78 C +ATOM 15 C HIS A 334 16.880 -6.069 19.982 1.00 34.49 C +ATOM 16 O HIS A 334 18.022 -6.445 19.692 1.00 32.28 O +ATOM 17 CB HIS A 334 17.741 -4.354 21.575 1.00 35.16 C +ATOM 18 CG HIS A 334 17.740 -2.948 22.093 1.00 36.02 C +ATOM 19 ND1 HIS A 334 17.998 -1.856 21.290 1.00 37.67 N +ATOM 20 CD2 HIS A 334 17.551 -2.461 23.343 1.00 38.59 C +ATOM 21 CE1 HIS A 334 17.950 -0.754 22.022 1.00 39.69 C +ATOM 22 NE2 HIS A 334 17.684 -1.095 23.272 1.00 38.12 N +ATOM 23 N SER A 335 15.808 -6.845 19.832 1.00 34.80 N +ATOM 24 CA SER A 335 15.932 -8.233 19.365 1.00 35.49 C +ATOM 25 C SER A 335 16.058 -8.325 17.841 1.00 36.03 C +ATOM 26 O SER A 335 15.910 -7.332 17.130 1.00 35.57 O +ATOM 27 CB SER A 335 14.746 -9.069 19.837 1.00 35.77 C +ATOM 28 OG SER A 335 13.599 -8.862 19.019 1.00 37.22 O +ATOM 29 N SER A 336 16.342 -9.525 17.348 1.00 36.25 N +ATOM 30 CA SER A 336 16.439 -9.754 15.911 1.00 37.63 C +ATOM 31 C SER A 336 15.047 -9.755 15.266 1.00 38.56 C +ATOM 32 O SER A 336 14.921 -9.627 14.048 1.00 38.65 O +ATOM 33 CB SER A 336 17.135 -11.091 15.644 1.00 37.26 C +ATOM 34 OG SER A 336 16.390 -12.144 16.229 1.00 37.72 O +ATOM 35 N SER A 337 14.012 -9.895 16.092 1.00 40.02 N +ATOM 36 CA SER A 337 12.637 -10.019 15.609 1.00 41.30 C +ATOM 37 C SER A 337 11.636 -9.149 16.392 1.00 42.04 C +ATOM 38 O SER A 337 10.592 -9.638 16.833 1.00 42.67 O +ATOM 39 CB SER A 337 12.211 -11.495 15.635 1.00 41.87 C +ATOM 40 OG SER A 337 12.333 -12.039 16.941 1.00 42.24 O +ATOM 41 N ASP A 338 11.960 -7.867 16.574 1.00 42.51 N +ATOM 42 CA ASP A 338 11.004 -6.911 17.156 1.00 43.03 C +ATOM 43 C ASP A 338 10.051 -6.396 16.083 1.00 42.86 C +ATOM 44 O ASP A 338 10.479 -6.108 14.968 1.00 43.08 O +ATOM 45 CB ASP A 338 11.708 -5.694 17.766 1.00 43.22 C +ATOM 46 CG ASP A 338 12.490 -6.015 19.024 1.00 44.62 C +ATOM 47 OD1 ASP A 338 11.994 -6.739 19.919 1.00 47.13 O +ATOM 48 OD2 ASP A 338 13.619 -5.505 19.123 1.00 46.02 O +ATOM 49 N PRO A 339 8.758 -6.251 16.424 1.00 42.69 N +ATOM 50 CA PRO A 339 7.892 -5.539 15.490 1.00 42.54 C +ATOM 51 C PRO A 339 8.194 -4.049 15.569 1.00 41.89 C +ATOM 52 O PRO A 339 8.814 -3.596 16.542 1.00 42.16 O +ATOM 53 CB PRO A 339 6.483 -5.825 16.018 1.00 42.92 C +ATOM 54 CG PRO A 339 6.661 -6.133 17.479 1.00 43.02 C +ATOM 55 CD PRO A 339 8.041 -6.717 17.627 1.00 42.92 C +ATOM 56 N VAL A 340 7.798 -3.296 14.549 1.00 40.99 N +ATOM 57 CA VAL A 340 7.799 -1.842 14.686 1.00 39.54 C +ATOM 58 C VAL A 340 6.662 -1.501 15.648 1.00 38.13 C +ATOM 59 O VAL A 340 5.528 -1.984 15.498 1.00 38.38 O +ATOM 60 CB VAL A 340 7.733 -1.104 13.324 1.00 40.16 C +ATOM 61 CG1 VAL A 340 6.690 -1.733 12.399 1.00 40.23 C +ATOM 62 CG2 VAL A 340 7.533 0.406 13.518 1.00 40.21 C +ATOM 63 N TYR A 341 6.993 -0.703 16.658 1.00 35.65 N +ATOM 64 CA TYR A 341 6.130 -0.531 17.802 1.00 33.63 C +ATOM 65 C TYR A 341 5.250 0.697 17.645 1.00 31.71 C +ATOM 66 O TYR A 341 5.729 1.748 17.232 1.00 32.46 O +ATOM 67 CB TYR A 341 6.947 -0.362 19.074 1.00 34.31 C +ATOM 68 CG TYR A 341 7.726 -1.581 19.509 1.00 34.87 C +ATOM 69 CD1 TYR A 341 7.124 -2.590 20.257 1.00 36.12 C +ATOM 70 CD2 TYR A 341 9.080 -1.708 19.188 1.00 36.35 C +ATOM 71 CE1 TYR A 341 7.861 -3.714 20.676 1.00 36.89 C +ATOM 72 CE2 TYR A 341 9.825 -2.819 19.595 1.00 35.60 C +ATOM 73 CZ TYR A 341 9.210 -3.812 20.341 1.00 36.43 C +ATOM 74 OH TYR A 341 9.953 -4.911 20.741 1.00 37.45 O +ATOM 75 N PRO A 342 3.970 0.571 18.010 1.00 29.66 N +ATOM 76 CA PRO A 342 3.089 1.717 17.992 1.00 28.07 C +ATOM 77 C PRO A 342 3.197 2.581 19.244 1.00 26.35 C +ATOM 78 O PRO A 342 3.396 2.081 20.358 1.00 26.24 O +ATOM 79 CB PRO A 342 1.706 1.074 17.900 1.00 27.92 C +ATOM 80 CG PRO A 342 1.857 -0.205 18.640 1.00 28.28 C +ATOM 81 CD PRO A 342 3.262 -0.660 18.429 1.00 29.45 C +ATOM 82 N CYS A 343 3.033 3.890 19.056 1.00 23.62 N +ATOM 83 CA CYS A 343 3.111 4.838 20.155 1.00 23.38 C +ATOM 84 C CYS A 343 1.905 4.674 21.054 1.00 24.07 C +ATOM 85 O CYS A 343 0.764 4.597 20.572 1.00 22.99 O +ATOM 86 CB CYS A 343 3.170 6.275 19.594 1.00 23.45 C +ATOM 87 SG CYS A 343 3.057 7.633 20.776 1.00 20.79 S +ATOM 88 N GLY A 344 2.156 4.603 22.358 1.00 24.40 N +ATOM 89 CA GLY A 344 1.097 4.479 23.376 1.00 26.53 C +ATOM 90 C GLY A 344 0.097 5.622 23.457 1.00 27.28 C +ATOM 91 O GLY A 344 -0.974 5.479 24.076 1.00 28.37 O +ATOM 92 N ILE A 345 0.427 6.755 22.825 1.00 26.65 N +ATOM 93 CA ILE A 345 -0.477 7.904 22.757 1.00 27.14 C +ATOM 94 C ILE A 345 -1.222 8.052 21.420 1.00 26.91 C +ATOM 95 O ILE A 345 -2.456 8.104 21.405 1.00 27.65 O +ATOM 96 CB ILE A 345 0.265 9.222 23.138 1.00 27.05 C +ATOM 97 CG1 ILE A 345 0.644 9.174 24.621 1.00 26.75 C +ATOM 98 CG2 ILE A 345 -0.608 10.447 22.872 1.00 26.64 C +ATOM 99 CD1 ILE A 345 1.726 10.195 25.021 1.00 27.80 C +ATOM 100 N CYS A 346 -0.490 8.131 20.311 1.00 26.11 N +ATOM 101 CA CYS A 346 -1.123 8.408 19.016 1.00 25.26 C +ATOM 102 C CYS A 346 -1.469 7.160 18.194 1.00 25.39 C +ATOM 103 O CYS A 346 -2.215 7.259 17.211 1.00 26.39 O +ATOM 104 CB CYS A 346 -0.259 9.377 18.187 1.00 25.34 C +ATOM 105 SG CYS A 346 1.214 8.649 17.536 1.00 20.90 S +ATOM 106 N THR A 347 -0.964 5.996 18.614 1.00 25.26 N +ATOM 107 CA THR A 347 -1.078 4.707 17.879 1.00 25.05 C +ATOM 108 C THR A 347 -0.223 4.544 16.605 1.00 24.61 C +ATOM 109 O THR A 347 -0.154 3.449 16.038 1.00 26.27 O +ATOM 110 CB THR A 347 -2.550 4.269 17.589 1.00 25.75 C +ATOM 111 OG1 THR A 347 -3.064 4.994 16.467 1.00 27.10 O +ATOM 112 CG2 THR A 347 -3.449 4.445 18.814 1.00 27.12 C +ATOM 113 N ASN A 348 0.460 5.606 16.166 1.00 23.99 N +ATOM 114 CA ASN A 348 1.254 5.550 14.945 1.00 24.02 C +ATOM 115 C ASN A 348 2.602 4.908 15.239 1.00 24.38 C +ATOM 116 O ASN A 348 3.071 4.931 16.395 1.00 24.07 O +ATOM 117 CB ASN A 348 1.425 6.954 14.363 1.00 23.40 C +ATOM 118 CG ASN A 348 0.103 7.582 13.997 1.00 24.56 C +ATOM 119 OD1 ASN A 348 -0.240 8.640 14.496 1.00 25.94 O +ATOM 120 ND2 ASN A 348 -0.673 6.895 13.176 1.00 25.23 N +ATOM 121 N GLU A 349 3.219 4.325 14.222 1.00 25.90 N +ATOM 122 CA GLU A 349 4.468 3.609 14.451 1.00 28.13 C +ATOM 123 C GLU A 349 5.546 4.577 14.944 1.00 27.43 C +ATOM 124 O GLU A 349 5.604 5.719 14.505 1.00 26.48 O +ATOM 125 CB GLU A 349 4.918 2.860 13.197 1.00 28.65 C +ATOM 126 CG GLU A 349 3.993 1.650 12.881 1.00 31.60 C +ATOM 127 CD GLU A 349 4.508 0.742 11.760 1.00 32.12 C +ATOM 128 OE1 GLU A 349 5.413 1.133 10.988 1.00 37.35 O +ATOM 129 OE2 GLU A 349 3.995 -0.389 11.656 1.00 39.29 O +ATOM 130 N VAL A 350 6.382 4.116 15.872 1.00 27.39 N +ATOM 131 CA VAL A 350 7.552 4.890 16.270 1.00 28.78 C +ATOM 132 C VAL A 350 8.710 4.437 15.378 1.00 30.19 C +ATOM 133 O VAL A 350 9.298 3.356 15.605 1.00 31.06 O +ATOM 134 CB VAL A 350 7.884 4.726 17.768 1.00 28.23 C +ATOM 135 CG1 VAL A 350 8.970 5.705 18.157 1.00 28.72 C +ATOM 136 CG2 VAL A 350 6.645 4.945 18.626 1.00 27.47 C +ATOM 137 N ASN A 351 8.997 5.246 14.357 1.00 31.43 N +ATOM 138 CA AASN A 351 9.966 4.838 13.340 0.50 32.42 C +ATOM 139 CA BASN A 351 9.974 4.932 13.299 0.50 32.21 C +ATOM 140 C ASN A 351 11.422 5.056 13.764 1.00 32.87 C +ATOM 141 O ASN A 351 11.705 5.705 14.779 1.00 32.39 O +ATOM 142 CB AASN A 351 9.641 5.445 11.959 0.50 32.52 C +ATOM 143 CB BASN A 351 9.777 5.853 12.081 0.50 32.11 C +ATOM 144 CG AASN A 351 9.929 6.934 11.877 0.50 33.63 C +ATOM 145 CG BASN A 351 8.411 5.699 11.419 0.50 32.52 C +ATOM 146 OD1AASN A 351 10.922 7.414 12.417 0.50 35.94 O +ATOM 147 OD1BASN A 351 7.904 6.641 10.798 0.50 32.84 O +ATOM 148 ND2AASN A 351 9.066 7.673 11.181 0.50 35.05 N +ATOM 149 ND2BASN A 351 7.818 4.515 11.532 0.50 33.16 N +ATOM 150 N ASP A 352 12.344 4.476 12.996 1.00 34.36 N +ATOM 151 CA ASP A 352 13.775 4.538 13.312 1.00 35.78 C +ATOM 152 C ASP A 352 14.366 5.942 13.295 1.00 35.50 C +ATOM 153 O ASP A 352 15.393 6.181 13.933 1.00 36.30 O +ATOM 154 CB ASP A 352 14.585 3.643 12.367 1.00 36.40 C +ATOM 155 CG ASP A 352 14.452 2.160 12.696 1.00 39.96 C +ATOM 156 OD1 ASP A 352 14.006 1.826 13.827 1.00 42.93 O +ATOM 157 OD2 ASP A 352 14.804 1.324 11.814 1.00 43.11 O +ATOM 158 N ASP A 353 13.740 6.864 12.566 1.00 35.06 N +ATOM 159 CA ASP A 353 14.239 8.238 12.541 1.00 34.73 C +ATOM 160 C ASP A 353 13.437 9.198 13.436 1.00 32.89 C +ATOM 161 O ASP A 353 13.396 10.400 13.193 1.00 33.63 O +ATOM 162 CB ASP A 353 14.416 8.773 11.104 1.00 35.60 C +ATOM 163 CG ASP A 353 13.186 8.588 10.225 1.00 37.98 C +ATOM 164 OD1 ASP A 353 12.072 8.384 10.748 1.00 40.64 O +ATOM 165 OD2 ASP A 353 13.340 8.653 8.979 1.00 41.34 O +ATOM 166 N GLN A 354 12.829 8.649 14.488 1.00 30.95 N +ATOM 167 CA GLN A 354 12.049 9.432 15.447 1.00 28.12 C +ATOM 168 C GLN A 354 12.565 9.127 16.826 1.00 26.40 C +ATOM 169 O GLN A 354 12.961 7.994 17.115 1.00 26.74 O +ATOM 170 CB GLN A 354 10.555 9.064 15.375 1.00 27.98 C +ATOM 171 CG GLN A 354 9.824 9.602 14.137 1.00 28.02 C +ATOM 172 CD GLN A 354 8.388 9.127 14.034 1.00 28.05 C +ATOM 173 OE1 GLN A 354 8.085 7.966 14.299 1.00 27.05 O +ATOM 174 NE2 GLN A 354 7.493 10.032 13.635 1.00 28.63 N +ATOM 175 N ASP A 355 12.545 10.118 17.710 1.00 24.18 N +ATOM 176 CA ASP A 355 12.946 9.870 19.093 1.00 22.85 C +ATOM 177 C ASP A 355 11.859 9.023 19.743 1.00 22.41 C +ATOM 178 O ASP A 355 10.692 9.416 19.735 1.00 22.60 O +ATOM 179 CB ASP A 355 13.051 11.192 19.876 1.00 22.95 C +ATOM 180 CG ASP A 355 14.273 12.033 19.507 1.00 24.83 C +ATOM 181 OD1 ASP A 355 15.247 11.504 18.943 1.00 27.18 O +ATOM 182 OD2 ASP A 355 14.272 13.249 19.841 1.00 23.98 O +ATOM 183 N ALA A 356 12.257 7.901 20.347 1.00 21.24 N +ATOM 184 CA ALA A 356 11.331 7.051 21.093 1.00 21.42 C +ATOM 185 C ALA A 356 11.718 6.986 22.558 1.00 20.70 C +ATOM 186 O ALA A 356 12.892 6.920 22.886 1.00 20.68 O +ATOM 187 CB ALA A 356 11.343 5.655 20.516 1.00 21.76 C +ATOM 188 N ILE A 357 10.716 6.917 23.416 1.00 21.25 N +ATOM 189 CA ILE A 357 10.916 6.767 24.840 1.00 22.09 C +ATOM 190 C ILE A 357 10.150 5.514 25.286 1.00 23.37 C +ATOM 191 O ILE A 357 8.991 5.295 24.889 1.00 22.93 O +ATOM 192 CB ILE A 357 10.567 8.094 25.617 1.00 22.91 C +ATOM 193 CG1 ILE A 357 10.994 8.008 27.090 1.00 20.81 C +ATOM 194 CG2 ILE A 357 9.095 8.508 25.465 1.00 24.03 C +ATOM 195 CD1 ILE A 357 12.445 8.266 27.330 1.00 26.86 C +ATOM 196 N LEU A 358 10.822 4.679 26.087 1.00 24.32 N +ATOM 197 CA LEU A 358 10.253 3.432 26.578 1.00 26.34 C +ATOM 198 C LEU A 358 9.802 3.620 28.010 1.00 26.86 C +ATOM 199 O LEU A 358 10.589 4.077 28.854 1.00 25.59 O +ATOM 200 CB LEU A 358 11.323 2.327 26.541 1.00 26.60 C +ATOM 201 CG LEU A 358 10.972 0.973 27.170 1.00 28.44 C +ATOM 202 CD1 LEU A 358 9.903 0.276 26.354 1.00 32.52 C +ATOM 203 CD2 LEU A 358 12.231 0.146 27.261 1.00 30.02 C +ATOM 204 N CYS A 359 8.562 3.260 28.310 1.00 28.40 N +ATOM 205 CA CYS A 359 8.145 3.282 29.698 1.00 29.78 C +ATOM 206 C CYS A 359 8.802 2.112 30.433 1.00 31.10 C +ATOM 207 O CYS A 359 8.545 0.945 30.142 1.00 30.60 O +ATOM 208 CB CYS A 359 6.637 3.270 29.853 1.00 29.84 C +ATOM 209 SG CYS A 359 6.136 3.209 31.579 1.00 30.09 S +ATOM 210 N GLU A 360 9.687 2.439 31.362 1.00 32.14 N +ATOM 211 CA GLU A 360 10.405 1.420 32.121 1.00 34.32 C +ATOM 212 C GLU A 360 9.834 1.320 33.526 1.00 34.94 C +ATOM 213 O GLU A 360 10.364 0.574 34.357 1.00 35.76 O +ATOM 214 CB GLU A 360 11.905 1.722 32.169 1.00 33.97 C +ATOM 215 CG GLU A 360 12.613 1.618 30.833 1.00 35.23 C +ATOM 216 CD GLU A 360 14.109 1.786 30.945 1.00 36.33 C +ATOM 217 OE1 GLU A 360 14.771 0.894 31.528 1.00 42.45 O +ATOM 218 OE2 GLU A 360 14.641 2.801 30.457 1.00 38.64 O +ATOM 219 N ALA A 361 8.764 2.058 33.804 1.00 35.70 N +ATOM 220 CA ALA A 361 8.104 1.959 35.107 1.00 37.68 C +ATOM 221 C ALA A 361 7.509 0.560 35.254 1.00 39.08 C +ATOM 222 O ALA A 361 7.799 -0.168 36.220 1.00 39.81 O +ATOM 223 CB ALA A 361 7.034 3.009 35.261 1.00 36.77 C +ATOM 224 N SER A 362 6.684 0.182 34.283 1.00 40.20 N +ATOM 225 CA SER A 362 6.147 -1.171 34.241 1.00 41.28 C +ATOM 226 C SER A 362 5.732 -1.609 32.841 1.00 41.40 C +ATOM 227 O SER A 362 6.197 -2.650 32.363 1.00 41.61 O +ATOM 228 CB SER A 362 4.984 -1.330 35.221 1.00 41.35 C +ATOM 229 OG SER A 362 4.595 -2.692 35.292 1.00 42.59 O +ATOM 230 N CYS A 363 4.889 -0.803 32.186 1.00 41.38 N +ATOM 231 CA CYS A 363 4.218 -1.211 30.938 1.00 41.18 C +ATOM 232 C CYS A 363 5.121 -1.614 29.760 1.00 40.40 C +ATOM 233 O CYS A 363 4.763 -2.499 28.983 1.00 40.58 O +ATOM 234 CB CYS A 363 3.130 -0.212 30.514 1.00 41.31 C +ATOM 235 SG CYS A 363 3.676 1.296 29.664 1.00 43.75 S +ATOM 236 N GLN A 364 6.278 -0.968 29.626 1.00 38.66 N +ATOM 237 CA GLN A 364 7.202 -1.268 28.541 1.00 37.49 C +ATOM 238 C GLN A 364 6.598 -0.901 27.174 1.00 36.56 C +ATOM 239 O GLN A 364 6.938 -1.520 26.170 1.00 37.06 O +ATOM 240 CB GLN A 364 7.565 -2.752 28.543 1.00 38.12 C +ATOM 241 CG GLN A 364 9.037 -3.053 28.370 1.00 39.40 C +ATOM 242 CD GLN A 364 9.707 -3.313 29.702 1.00 41.53 C +ATOM 243 OE1 GLN A 364 9.146 -2.996 30.751 1.00 44.55 O +ATOM 244 NE2 GLN A 364 10.899 -3.907 29.673 1.00 41.77 N +ATOM 245 N LYS A 365 5.686 0.068 27.169 1.00 34.43 N +ATOM 246 CA LYS A 365 5.150 0.657 25.934 1.00 32.80 C +ATOM 247 C LYS A 365 6.151 1.697 25.407 1.00 30.74 C +ATOM 248 O LYS A 365 6.874 2.336 26.204 1.00 29.78 O +ATOM 249 CB LYS A 365 3.793 1.316 26.184 1.00 32.83 C +ATOM 250 CG LYS A 365 2.627 0.351 26.554 1.00 35.24 C +ATOM 251 CD LYS A 365 1.242 0.996 26.379 1.00 34.55 C +ATOM 252 CE LYS A 365 0.908 2.044 27.440 1.00 36.72 C +ATOM 253 NZ LYS A 365 -0.487 2.590 27.303 1.00 38.42 N +ATOM 254 N PHE A 366 6.218 1.830 24.076 1.00 28.33 N +ATOM 255 CA PHE A 366 7.012 2.886 23.452 1.00 26.54 C +ATOM 256 C PHE A 366 6.150 4.059 23.091 1.00 24.49 C +ATOM 257 O PHE A 366 4.940 3.923 22.922 1.00 24.37 O +ATOM 258 CB PHE A 366 7.679 2.386 22.192 1.00 27.22 C +ATOM 259 CG PHE A 366 8.895 1.599 22.450 1.00 29.31 C +ATOM 260 CD1 PHE A 366 10.111 2.242 22.681 1.00 30.62 C +ATOM 261 CD2 PHE A 366 8.827 0.214 22.511 1.00 29.93 C +ATOM 262 CE1 PHE A 366 11.259 1.516 22.927 1.00 31.66 C +ATOM 263 CE2 PHE A 366 9.965 -0.527 22.767 1.00 31.02 C +ATOM 264 CZ PHE A 366 11.184 0.121 22.971 1.00 31.06 C +ATOM 265 N PHE A 367 6.785 5.227 22.994 1.00 22.08 N +ATOM 266 CA PHE A 367 6.053 6.468 22.723 1.00 19.39 C +ATOM 267 C PHE A 367 6.984 7.362 21.915 1.00 18.39 C +ATOM 268 O PHE A 367 8.185 7.366 22.129 1.00 18.47 O +ATOM 269 CB PHE A 367 5.741 7.225 24.013 1.00 19.90 C +ATOM 270 CG PHE A 367 4.836 6.489 24.993 1.00 20.03 C +ATOM 271 CD1 PHE A 367 3.511 6.872 25.152 1.00 24.99 C +ATOM 272 CD2 PHE A 367 5.352 5.478 25.800 1.00 23.13 C +ATOM 273 CE1 PHE A 367 2.688 6.220 26.088 1.00 26.18 C +ATOM 274 CE2 PHE A 367 4.532 4.811 26.720 1.00 22.82 C +ATOM 275 CZ PHE A 367 3.215 5.191 26.856 1.00 25.03 C +ATOM 276 N HIS A 368 6.407 8.131 20.997 1.00 16.76 N +ATOM 277 CA HIS A 368 7.157 9.259 20.425 1.00 15.81 C +ATOM 278 C HIS A 368 7.463 10.258 21.540 1.00 15.69 C +ATOM 279 O HIS A 368 6.567 10.683 22.283 1.00 17.04 O +ATOM 280 CB HIS A 368 6.312 10.033 19.356 1.00 15.45 C +ATOM 281 CG HIS A 368 5.866 9.213 18.187 1.00 16.69 C +ATOM 282 ND1 HIS A 368 4.555 8.808 18.018 1.00 18.35 N +ATOM 283 CD2 HIS A 368 6.544 8.796 17.094 1.00 20.60 C +ATOM 284 CE1 HIS A 368 4.468 8.123 16.885 1.00 19.36 C +ATOM 285 NE2 HIS A 368 5.655 8.115 16.301 1.00 23.99 N +ATOM 286 N ARG A 369 8.729 10.682 21.618 1.00 16.70 N +ATOM 287 CA ARG A 369 9.089 11.799 22.497 1.00 16.08 C +ATOM 288 C ARG A 369 8.116 12.948 22.318 1.00 15.99 C +ATOM 289 O ARG A 369 7.578 13.454 23.278 1.00 16.83 O +ATOM 290 CB ARG A 369 10.524 12.278 22.241 1.00 16.21 C +ATOM 291 CG ARG A 369 10.900 13.407 23.172 1.00 16.81 C +ATOM 292 CD ARG A 369 12.134 14.182 22.755 1.00 19.26 C +ATOM 293 NE ARG A 369 12.102 14.672 21.361 1.00 20.03 N +ATOM 294 CZ ARG A 369 11.414 15.742 20.957 1.00 20.66 C +ATOM 295 NH1 ARG A 369 10.659 16.462 21.792 1.00 18.54 N +ATOM 296 NH2 ARG A 369 11.501 16.123 19.683 1.00 23.58 N +ATOM 297 N ILE A 370 7.852 13.330 21.069 1.00 16.80 N +ATOM 298 CA AILE A 370 6.960 14.446 20.767 0.50 18.15 C +ATOM 299 CA BILE A 370 7.001 14.486 20.865 0.50 18.50 C +ATOM 300 C ILE A 370 5.601 14.318 21.468 1.00 18.56 C +ATOM 301 O ILE A 370 5.062 15.283 22.057 1.00 20.84 O +ATOM 302 CB AILE A 370 6.807 14.567 19.240 0.50 18.03 C +ATOM 303 CB BILE A 370 7.002 14.977 19.404 0.50 18.80 C +ATOM 304 CG1AILE A 370 8.115 15.097 18.637 0.50 18.45 C +ATOM 305 CG1BILE A 370 6.223 16.297 19.306 0.50 19.94 C +ATOM 306 CG2AILE A 370 5.634 15.458 18.873 0.50 18.67 C +ATOM 307 CG2BILE A 370 6.523 13.901 18.445 0.50 18.97 C +ATOM 308 CD1AILE A 370 8.310 14.744 17.182 0.50 21.51 C +ATOM 309 CD1BILE A 370 5.737 16.640 17.921 0.50 23.59 C +ATOM 310 N CYS A 371 5.034 13.109 21.393 1.00 18.85 N +ATOM 311 CA CYS A 371 3.722 12.851 21.948 1.00 18.85 C +ATOM 312 C CYS A 371 3.665 12.990 23.487 1.00 19.32 C +ATOM 313 O CYS A 371 2.607 13.305 24.044 1.00 19.99 O +ATOM 314 CB CYS A 371 3.216 11.484 21.489 1.00 20.00 C +ATOM 315 SG CYS A 371 2.935 11.414 19.704 1.00 20.14 S +ATOM 316 N THR A 372 4.779 12.733 24.166 1.00 19.70 N +ATOM 317 CA THR A 372 4.800 12.789 25.625 1.00 19.69 C +ATOM 318 C THR A 372 4.887 14.235 26.139 1.00 20.22 C +ATOM 319 O THR A 372 4.538 14.516 27.278 1.00 20.97 O +ATOM 320 CB THR A 372 6.018 12.015 26.193 1.00 19.68 C +ATOM 321 OG1 THR A 372 7.218 12.734 25.865 1.00 18.78 O +ATOM 322 CG2 THR A 372 6.052 10.606 25.678 1.00 19.84 C +ATOM 323 N GLY A 373 5.363 15.164 25.313 1.00 20.43 N +ATOM 324 CA GLY A 373 5.630 16.495 25.814 1.00 19.57 C +ATOM 325 C GLY A 373 7.020 16.721 26.397 1.00 19.10 C +ATOM 326 O GLY A 373 7.331 17.828 26.849 1.00 18.93 O +ATOM 327 N MET A 374 7.873 15.680 26.350 1.00 18.10 N +ATOM 328 CA MET A 374 9.224 15.810 26.882 1.00 17.56 C +ATOM 329 C MET A 374 10.055 16.639 25.894 1.00 16.61 C +ATOM 330 O MET A 374 9.968 16.432 24.667 1.00 18.47 O +ATOM 331 CB MET A 374 9.862 14.418 27.055 1.00 17.99 C +ATOM 332 CG MET A 374 11.202 14.507 27.714 1.00 18.82 C +ATOM 333 SD MET A 374 11.970 12.871 27.917 1.00 19.94 S +ATOM 334 CE MET A 374 10.760 12.065 28.963 1.00 21.06 C +ATOM 335 N THR A 375 10.836 17.573 26.413 1.00 16.70 N +ATOM 336 CA THR A 375 11.668 18.409 25.524 1.00 16.25 C +ATOM 337 C THR A 375 12.824 17.587 24.965 1.00 16.97 C +ATOM 338 O THR A 375 13.224 16.566 25.541 1.00 15.70 O +ATOM 339 CB THR A 375 12.226 19.670 26.256 1.00 17.47 C +ATOM 340 OG1 THR A 375 13.128 19.278 27.286 1.00 18.01 O +ATOM 341 CG2 THR A 375 11.102 20.510 26.880 1.00 18.58 C +ATOM 342 N GLU A 376 13.379 18.012 23.833 1.00 17.74 N +ATOM 343 CA GLU A 376 14.544 17.300 23.287 1.00 19.17 C +ATOM 344 C GLU A 376 15.698 17.321 24.300 1.00 16.78 C +ATOM 345 O GLU A 376 16.424 16.327 24.459 1.00 17.09 O +ATOM 346 CB GLU A 376 14.991 17.988 21.977 1.00 20.20 C +ATOM 347 CG GLU A 376 13.949 18.036 20.903 1.00 25.01 C +ATOM 348 CD GLU A 376 14.549 18.418 19.552 1.00 25.44 C +ATOM 349 OE1 GLU A 376 15.392 17.642 19.033 1.00 31.96 O +ATOM 350 OE2 GLU A 376 14.168 19.477 19.021 1.00 34.25 O +ATOM 351 N THR A 377 15.893 18.437 25.011 1.00 16.89 N +ATOM 352 CA THR A 377 17.006 18.506 25.938 1.00 17.28 C +ATOM 353 C THR A 377 16.797 17.530 27.098 1.00 16.15 C +ATOM 354 O THR A 377 17.733 16.825 27.491 1.00 16.25 O +ATOM 355 CB THR A 377 17.190 19.943 26.448 1.00 18.94 C +ATOM 356 OG1 THR A 377 17.411 20.768 25.292 1.00 21.97 O +ATOM 357 CG2 THR A 377 18.370 20.010 27.400 1.00 19.61 C +ATOM 358 N ALA A 378 15.583 17.534 27.656 1.00 15.27 N +ATOM 359 CA ALA A 378 15.265 16.591 28.727 1.00 14.82 C +ATOM 360 C ALA A 378 15.459 15.143 28.274 1.00 14.25 C +ATOM 361 O ALA A 378 16.008 14.356 29.030 1.00 15.09 O +ATOM 362 CB ALA A 378 13.874 16.820 29.316 1.00 14.85 C +ATOM 363 N TYR A 379 15.032 14.804 27.052 1.00 14.33 N +ATOM 364 CA TYR A 379 15.222 13.450 26.499 1.00 14.98 C +ATOM 365 C TYR A 379 16.697 13.093 26.398 1.00 15.57 C +ATOM 366 O TYR A 379 17.135 12.000 26.808 1.00 15.87 O +ATOM 367 CB TYR A 379 14.559 13.421 25.115 1.00 15.76 C +ATOM 368 CG TYR A 379 14.696 12.123 24.374 1.00 15.99 C +ATOM 369 CD1 TYR A 379 13.859 11.052 24.689 1.00 18.63 C +ATOM 370 CD2 TYR A 379 15.659 11.961 23.395 1.00 19.43 C +ATOM 371 CE1 TYR A 379 13.970 9.849 24.014 1.00 17.28 C +ATOM 372 CE2 TYR A 379 15.794 10.755 22.710 1.00 19.37 C +ATOM 373 CZ TYR A 379 14.942 9.714 23.025 1.00 18.88 C +ATOM 374 OH TYR A 379 15.068 8.517 22.352 1.00 20.74 O +ATOM 375 N GLY A 380 17.481 14.037 25.885 1.00 15.68 N +ATOM 376 CA GLY A 380 18.926 13.837 25.803 1.00 16.34 C +ATOM 377 C GLY A 380 19.575 13.557 27.155 1.00 16.90 C +ATOM 378 O GLY A 380 20.389 12.638 27.299 1.00 18.37 O +ATOM 379 N LEU A 381 19.176 14.306 28.170 1.00 15.69 N +ATOM 380 CA LEU A 381 19.763 14.114 29.477 1.00 16.65 C +ATOM 381 C LEU A 381 19.287 12.820 30.128 1.00 15.85 C +ATOM 382 O LEU A 381 20.083 12.126 30.738 1.00 16.76 O +ATOM 383 CB LEU A 381 19.457 15.298 30.384 1.00 16.36 C +ATOM 384 CG LEU A 381 20.049 16.634 29.972 1.00 17.91 C +ATOM 385 CD1 LEU A 381 19.508 17.674 30.936 1.00 20.67 C +ATOM 386 CD2 LEU A 381 21.558 16.511 30.099 1.00 18.71 C +ATOM 387 N LEU A 382 18.012 12.493 29.967 1.00 15.36 N +ATOM 388 CA ALEU A 382 17.472 11.297 30.620 0.50 16.70 C +ATOM 389 CA BLEU A 382 17.425 11.296 30.574 0.50 16.98 C +ATOM 390 C LEU A 382 18.018 10.047 29.958 1.00 17.77 C +ATOM 391 O LEU A 382 18.407 9.115 30.649 1.00 17.70 O +ATOM 392 CB ALEU A 382 15.932 11.312 30.650 0.50 16.30 C +ATOM 393 CB BLEU A 382 15.905 11.311 30.359 0.50 16.50 C +ATOM 394 CG ALEU A 382 15.302 10.110 31.375 0.50 16.06 C +ATOM 395 CG BLEU A 382 15.094 10.301 31.167 0.50 17.87 C +ATOM 396 CD1ALEU A 382 14.059 10.539 32.138 0.50 15.49 C +ATOM 397 CD1BLEU A 382 15.301 10.498 32.659 0.50 16.94 C +ATOM 398 CD2ALEU A 382 14.954 9.025 30.378 0.50 16.39 C +ATOM 399 CD2BLEU A 382 13.625 10.459 30.798 0.50 16.86 C +ATOM 400 N THR A 383 18.105 10.040 28.633 1.00 18.81 N +ATOM 401 CA THR A 383 18.627 8.854 27.940 1.00 21.19 C +ATOM 402 C THR A 383 20.117 8.631 28.281 1.00 22.07 C +ATOM 403 O THR A 383 20.563 7.485 28.282 1.00 24.05 O +ATOM 404 CB THR A 383 18.338 8.894 26.430 1.00 22.09 C +ATOM 405 OG1 THR A 383 18.899 10.079 25.876 1.00 24.72 O +ATOM 406 CG2 THR A 383 16.850 8.868 26.211 1.00 22.53 C +ATOM 407 N ALA A 384 20.859 9.697 28.613 1.00 22.07 N +ATOM 408 CA ALA A 384 22.276 9.549 28.952 1.00 23.30 C +ATOM 409 C ALA A 384 22.549 9.008 30.370 1.00 23.83 C +ATOM 410 O ALA A 384 23.659 8.552 30.660 1.00 25.75 O +ATOM 411 CB ALA A 384 23.040 10.850 28.724 1.00 23.75 C +ATOM 412 N AGLU A 385 21.551 9.061 31.242 0.50 23.52 N +ATOM 413 N BGLU A 385 21.543 9.072 31.241 0.50 23.61 N +ATOM 414 CA AGLU A 385 21.774 8.730 32.652 0.50 23.65 C +ATOM 415 CA BGLU A 385 21.712 8.707 32.660 0.50 23.84 C +ATOM 416 C AGLU A 385 21.336 7.306 32.999 0.50 23.75 C +ATOM 417 C BGLU A 385 21.326 7.265 32.946 0.50 23.86 C +ATOM 418 O AGLU A 385 20.148 6.993 33.011 0.50 23.58 O +ATOM 419 O BGLU A 385 20.156 6.900 32.885 0.50 23.72 O +ATOM 420 CB AGLU A 385 21.108 9.786 33.562 0.50 23.95 C +ATOM 421 CB BGLU A 385 20.898 9.641 33.576 0.50 24.16 C +ATOM 422 CG AGLU A 385 21.213 9.500 35.062 0.50 23.38 C +ATOM 423 CG BGLU A 385 21.410 11.068 33.670 0.50 24.08 C +ATOM 424 CD AGLU A 385 22.637 9.228 35.562 0.50 23.70 C +ATOM 425 CD BGLU A 385 22.780 11.228 34.348 0.50 24.80 C +ATOM 426 OE1AGLU A 385 23.512 10.120 35.413 0.50 23.74 O +ATOM 427 OE1BGLU A 385 23.103 10.474 35.286 0.50 24.39 O +ATOM 428 OE2AGLU A 385 22.865 8.124 36.129 0.50 21.76 O +ATOM 429 OE2BGLU A 385 23.539 12.134 33.945 0.50 25.69 O +ATOM 430 N ALA A 386 22.312 6.442 33.293 1.00 24.28 N +ATOM 431 CA ALA A 386 22.046 5.043 33.578 1.00 24.30 C +ATOM 432 C ALA A 386 21.068 4.777 34.736 1.00 23.87 C +ATOM 433 O ALA A 386 20.338 3.791 34.725 1.00 24.70 O +ATOM 434 CB ALA A 386 23.375 4.278 33.806 1.00 25.81 C +ATOM 435 N SER A 387 21.067 5.655 35.739 1.00 22.61 N +ATOM 436 CA SER A 387 20.242 5.450 36.920 1.00 21.46 C +ATOM 437 C SER A 387 18.855 6.080 36.809 1.00 20.39 C +ATOM 438 O SER A 387 18.094 6.098 37.774 1.00 20.78 O +ATOM 439 CB SER A 387 20.962 5.999 38.161 1.00 22.25 C +ATOM 440 OG SER A 387 20.987 7.421 38.150 1.00 22.94 O +ATOM 441 N ALA A 388 18.540 6.610 35.632 1.00 20.15 N +ATOM 442 CA ALA A 388 17.261 7.291 35.414 1.00 19.87 C +ATOM 443 C ALA A 388 16.461 6.539 34.379 1.00 20.35 C +ATOM 444 O ALA A 388 17.020 6.031 33.386 1.00 21.42 O +ATOM 445 CB ALA A 388 17.487 8.774 34.981 1.00 19.60 C +ATOM 446 N VAL A 389 15.159 6.443 34.609 1.00 19.30 N +ATOM 447 CA VAL A 389 14.274 5.889 33.578 1.00 19.50 C +ATOM 448 C VAL A 389 13.025 6.735 33.525 1.00 17.93 C +ATOM 449 O VAL A 389 12.813 7.591 34.388 1.00 18.32 O +ATOM 450 CB VAL A 389 13.926 4.401 33.831 1.00 20.42 C +ATOM 451 CG1 VAL A 389 15.209 3.554 33.988 1.00 23.12 C +ATOM 452 CG2 VAL A 389 12.990 4.285 35.013 1.00 20.66 C +ATOM 453 N TRP A 390 12.225 6.521 32.487 1.00 19.05 N +ATOM 454 CA TRP A 390 11.005 7.288 32.345 1.00 18.88 C +ATOM 455 C TRP A 390 9.780 6.417 32.594 1.00 20.74 C +ATOM 456 O TRP A 390 9.800 5.215 32.287 1.00 22.00 O +ATOM 457 CB TRP A 390 10.924 7.893 30.931 1.00 19.03 C +ATOM 458 CG TRP A 390 9.656 8.640 30.601 1.00 19.45 C +ATOM 459 CD1 TRP A 390 9.338 9.914 30.971 1.00 18.76 C +ATOM 460 CD2 TRP A 390 8.558 8.175 29.776 1.00 18.64 C +ATOM 461 NE1 TRP A 390 8.101 10.276 30.449 1.00 19.09 N +ATOM 462 CE2 TRP A 390 7.602 9.229 29.715 1.00 17.47 C +ATOM 463 CE3 TRP A 390 8.288 6.973 29.109 1.00 19.63 C +ATOM 464 CZ2 TRP A 390 6.395 9.118 28.990 1.00 17.45 C +ATOM 465 CZ3 TRP A 390 7.076 6.860 28.390 1.00 19.58 C +ATOM 466 CH2 TRP A 390 6.170 7.940 28.326 1.00 19.70 C +ATOM 467 N GLY A 391 8.741 7.054 33.113 1.00 22.81 N +ATOM 468 CA GLY A 391 7.453 6.412 33.369 1.00 24.30 C +ATOM 469 C GLY A 391 6.315 7.174 32.731 1.00 26.16 C +ATOM 470 O GLY A 391 6.226 8.390 32.874 1.00 24.82 O +ATOM 471 N CYS A 392 5.466 6.429 32.014 1.00 28.67 N +ATOM 472 CA CYS A 392 4.207 6.915 31.400 1.00 31.38 C +ATOM 473 C CYS A 392 3.272 7.602 32.412 1.00 33.58 C +ATOM 474 O CYS A 392 3.302 7.263 33.597 1.00 33.86 O +ATOM 475 CB CYS A 392 3.477 5.759 30.618 1.00 32.76 C +ATOM 476 SG CYS A 392 2.455 4.325 31.445 1.00 26.09 S +ATOM 477 N ASP A 393 2.469 8.571 31.962 1.00 35.95 N +ATOM 478 CA ASP A 393 1.541 9.293 32.858 1.00 39.35 C +ATOM 479 C ASP A 393 0.482 8.367 33.478 1.00 40.62 C +ATOM 480 O ASP A 393 -0.042 8.645 34.562 1.00 41.19 O +ATOM 481 CB ASP A 393 0.859 10.469 32.151 1.00 39.77 C +ATOM 482 CG ASP A 393 1.699 11.738 32.156 1.00 41.96 C +ATOM 483 OD1 ASP A 393 2.566 11.899 33.051 1.00 42.80 O +ATOM 484 OD2 ASP A 393 1.469 12.591 31.267 1.00 44.77 O +ATOM 485 N THR A 394 0.178 7.272 32.785 1.00 42.12 N +ATOM 486 CA THR A 394 -0.717 6.249 33.314 1.00 43.66 C +ATOM 487 C THR A 394 -0.021 5.510 34.454 1.00 44.36 C +ATOM 488 O THR A 394 -0.535 5.482 35.582 1.00 45.37 O +ATOM 489 CB THR A 394 -1.157 5.250 32.214 1.00 43.53 C +ATOM 490 OG1 THR A 394 -1.719 5.970 31.111 1.00 44.37 O +ATOM 491 CG2 THR A 394 -2.189 4.265 32.743 1.00 44.39 C +ATOM 492 N CYS A 395 1.146 4.932 34.167 1.00 44.94 N +ATOM 493 CA CYS A 395 1.900 4.164 35.157 1.00 45.04 C +ATOM 494 C CYS A 395 2.249 4.971 36.408 1.00 45.17 C +ATOM 495 O CYS A 395 2.264 4.433 37.515 1.00 45.69 O +ATOM 496 CB CYS A 395 3.169 3.564 34.551 1.00 45.13 C +ATOM 497 SG CYS A 395 2.918 2.065 33.568 1.00 45.87 S +ATOM 498 N MET A 396 2.520 6.260 36.231 1.00 45.06 N +ATOM 499 CA MET A 396 2.884 7.121 37.350 1.00 44.99 C +ATOM 500 C MET A 396 1.706 7.391 38.297 1.00 45.62 C +ATOM 501 O MET A 396 1.905 7.523 39.509 1.00 45.75 O +ATOM 502 CB MET A 396 3.530 8.419 36.855 1.00 44.53 C +ATOM 503 CG MET A 396 4.878 8.206 36.153 1.00 42.46 C +ATOM 504 SD MET A 396 6.101 7.305 37.136 1.00 38.56 S +ATOM 505 CE MET A 396 6.734 8.612 38.195 1.00 35.36 C +ATOM 506 N ALA A 397 0.494 7.465 37.745 1.00 46.25 N +ATOM 507 CA ALA A 397 -0.736 7.518 38.553 1.00 46.75 C +ATOM 508 C ALA A 397 -1.149 6.122 39.009 1.00 46.89 C +ATOM 509 O ALA A 397 -0.515 5.534 39.883 1.00 47.02 O +ATOM 510 CB ALA A 397 -1.868 8.171 37.778 1.00 47.09 C +ATOM 512 N ALA B 173 22.198 -9.055 43.353 1.00 30.20 N +ATOM 513 CA ALA B 173 22.635 -7.776 42.706 1.00 27.77 C +ATOM 514 C ALA B 173 21.406 -6.940 42.431 1.00 27.20 C +ATOM 515 O ALA B 173 20.550 -7.306 41.616 1.00 27.89 O +ATOM 516 CB ALA B 173 23.398 -8.040 41.425 1.00 28.18 C +ATOM 517 N ALA B 174 21.287 -5.849 43.166 1.00 24.64 N +ATOM 518 CA ALA B 174 20.114 -5.007 43.053 1.00 23.29 C +ATOM 519 C ALA B 174 20.601 -3.594 42.863 1.00 22.86 C +ATOM 520 O ALA B 174 21.691 -3.227 43.332 1.00 24.38 O +ATOM 521 CB ALA B 174 19.241 -5.124 44.271 1.00 23.59 C +ATOM 522 N LYS B 175 19.797 -2.813 42.162 1.00 20.71 N +ATOM 523 CA ALYS B 175 20.181 -1.453 41.791 0.50 20.95 C +ATOM 524 CA BLYS B 175 20.170 -1.470 41.751 0.50 20.76 C +ATOM 525 C LYS B 175 18.974 -0.564 42.015 1.00 19.79 C +ATOM 526 O LYS B 175 17.841 -0.973 41.797 1.00 19.98 O +ATOM 527 CB ALYS B 175 20.650 -1.404 40.322 0.50 21.36 C +ATOM 528 CB BLYS B 175 20.471 -1.503 40.253 0.50 21.09 C +ATOM 529 CG ALYS B 175 20.696 -0.023 39.647 0.50 22.97 C +ATOM 530 CG BLYS B 175 21.056 -0.259 39.659 0.50 23.62 C +ATOM 531 CD ALYS B 175 21.563 -0.062 38.376 0.50 22.08 C +ATOM 532 CD BLYS B 175 21.029 -0.368 38.146 0.50 24.88 C +ATOM 533 CE ALYS B 175 21.527 1.237 37.558 0.50 24.92 C +ATOM 534 CE BLYS B 175 21.642 0.845 37.473 0.50 26.08 C +ATOM 535 NZ ALYS B 175 22.658 2.157 37.883 0.50 27.50 N +ATOM 536 NZ BLYS B 175 21.243 0.861 36.041 0.50 24.32 N +ATOM 537 N VAL B 176 19.204 0.663 42.481 1.00 17.76 N +ATOM 538 CA VAL B 176 18.076 1.579 42.587 1.00 16.38 C +ATOM 539 C VAL B 176 18.091 2.465 41.352 1.00 16.85 C +ATOM 540 O VAL B 176 19.159 2.999 40.992 1.00 18.49 O +ATOM 541 CB VAL B 176 18.207 2.524 43.827 1.00 16.12 C +ATOM 542 CG1 VAL B 176 17.075 3.551 43.869 1.00 18.02 C +ATOM 543 CG2 VAL B 176 18.272 1.733 45.138 1.00 16.74 C +ATOM 544 N VAL B 177 16.943 2.572 40.698 1.00 16.45 N +ATOM 545 CA VAL B 177 16.826 3.533 39.596 1.00 18.52 C +ATOM 546 C VAL B 177 15.772 4.553 39.946 1.00 17.95 C +ATOM 547 O VAL B 177 14.860 4.273 40.731 1.00 18.98 O +ATOM 548 CB VAL B 177 16.545 2.819 38.254 1.00 19.72 C +ATOM 549 CG1 VAL B 177 17.658 1.797 38.011 1.00 21.82 C +ATOM 550 CG2 VAL B 177 15.203 2.152 38.276 1.00 22.25 C +ATOM 551 N TYR B 178 15.903 5.758 39.389 1.00 16.96 N +ATOM 552 CA TYR B 178 14.909 6.777 39.639 1.00 18.21 C +ATOM 553 C TYR B 178 13.983 6.966 38.457 1.00 18.03 C +ATOM 554 O TYR B 178 14.453 7.084 37.320 1.00 18.14 O +ATOM 555 CB TYR B 178 15.615 8.076 39.989 1.00 18.38 C +ATOM 556 CG TYR B 178 16.459 7.864 41.196 1.00 19.92 C +ATOM 557 CD1 TYR B 178 15.874 7.862 42.450 1.00 20.65 C +ATOM 558 CD2 TYR B 178 17.815 7.581 41.078 1.00 21.10 C +ATOM 559 CE1 TYR B 178 16.633 7.618 43.589 1.00 23.08 C +ATOM 560 CE2 TYR B 178 18.598 7.337 42.230 1.00 24.11 C +ATOM 561 CZ TYR B 178 17.976 7.357 43.469 1.00 23.32 C +ATOM 562 OH TYR B 178 18.709 7.156 44.632 1.00 25.51 O +ATOM 563 N VAL B 179 12.680 6.988 38.729 1.00 18.64 N +ATOM 564 CA VAL B 179 11.677 6.974 37.664 1.00 19.34 C +ATOM 565 C VAL B 179 11.147 8.382 37.518 1.00 18.90 C +ATOM 566 O VAL B 179 10.623 8.962 38.479 1.00 18.90 O +ATOM 567 CB VAL B 179 10.507 5.986 37.950 1.00 21.08 C +ATOM 568 CG1 VAL B 179 9.542 5.939 36.747 1.00 22.85 C +ATOM 569 CG2 VAL B 179 11.040 4.598 38.314 1.00 22.12 C +ATOM 570 N PHE B 180 11.273 8.930 36.305 1.00 16.67 N +ATOM 571 CA PHE B 180 10.847 10.301 36.036 1.00 17.49 C +ATOM 572 C PHE B 180 9.590 10.340 35.192 1.00 17.13 C +ATOM 573 O PHE B 180 9.537 9.726 34.127 1.00 17.52 O +ATOM 574 CB PHE B 180 11.936 11.027 35.214 1.00 17.12 C +ATOM 575 CG PHE B 180 13.155 11.384 35.989 1.00 15.94 C +ATOM 576 CD1 PHE B 180 13.424 12.707 36.306 1.00 16.68 C +ATOM 577 CD2 PHE B 180 14.072 10.397 36.361 1.00 16.08 C +ATOM 578 CE1 PHE B 180 14.579 13.051 37.012 1.00 16.62 C +ATOM 579 CE2 PHE B 180 15.217 10.740 37.092 1.00 16.86 C +ATOM 580 CZ PHE B 180 15.478 12.053 37.395 1.00 17.72 C +ATOM 581 N SER B 181 8.576 11.065 35.654 1.00 17.20 N +ATOM 582 CA SER B 181 7.465 11.433 34.786 1.00 18.38 C +ATOM 583 C SER B 181 7.970 12.436 33.747 1.00 18.31 C +ATOM 584 O SER B 181 9.050 12.980 33.899 1.00 17.87 O +ATOM 585 CB SER B 181 6.337 12.097 35.583 1.00 17.44 C +ATOM 586 OG SER B 181 6.721 13.346 36.138 1.00 21.33 O +ATOM 587 N THR B 182 7.178 12.662 32.702 1.00 18.67 N +ATOM 588 CA THR B 182 7.531 13.730 31.751 1.00 20.02 C +ATOM 589 C THR B 182 7.708 15.084 32.451 1.00 19.67 C +ATOM 590 O THR B 182 8.700 15.789 32.223 1.00 17.38 O +ATOM 591 CB THR B 182 6.504 13.805 30.627 1.00 19.83 C +ATOM 592 OG1 THR B 182 6.500 12.567 29.909 1.00 22.24 O +ATOM 593 CG2 THR B 182 6.846 14.968 29.697 1.00 22.54 C +ATOM 594 N GLU B 183 6.762 15.467 33.318 1.00 20.20 N +ATOM 595 CA GLU B 183 6.886 16.703 34.092 1.00 21.89 C +ATOM 596 C GLU B 183 8.208 16.779 34.841 1.00 19.81 C +ATOM 597 O GLU B 183 8.917 17.802 34.814 1.00 19.83 O +ATOM 598 CB GLU B 183 5.695 16.833 35.074 1.00 22.73 C +ATOM 599 CG GLU B 183 5.792 18.044 35.996 1.00 25.81 C +ATOM 600 CD GLU B 183 4.441 18.583 36.500 1.00 27.86 C +ATOM 601 OE1 GLU B 183 3.372 18.052 36.107 1.00 37.67 O +ATOM 602 OE2 GLU B 183 4.457 19.544 37.305 1.00 35.74 O +ATOM 603 N AMET B 184 8.546 15.683 35.515 0.50 20.29 N +ATOM 604 N CMET B 184 8.576 15.685 35.499 0.50 18.37 N +ATOM 605 CA BMET B 184 9.785 15.642 36.333 0.50 18.42 C +ATOM 606 CA CMET B 184 9.775 15.688 36.320 0.50 16.59 C +ATOM 607 C AMET B 184 11.090 15.669 35.484 0.50 14.00 C +ATOM 608 C CMET B 184 11.044 15.701 35.470 0.50 15.79 C +ATOM 609 O AMET B 184 11.973 16.480 35.752 0.50 15.26 O +ATOM 610 O CMET B 184 12.036 16.308 35.858 0.50 16.40 O +ATOM 611 CB BMET B 184 9.817 14.335 37.121 0.50 19.10 C +ATOM 612 CB CMET B 184 9.774 14.516 37.299 0.50 17.12 C +ATOM 613 CG BMET B 184 10.890 14.284 38.194 0.50 20.87 C +ATOM 614 CG CMET B 184 8.804 14.714 38.497 0.50 20.34 C +ATOM 615 SD BMET B 184 10.619 15.408 39.575 0.50 30.63 S +ATOM 616 SD CMET B 184 9.012 16.288 39.397 0.50 29.49 S +ATOM 617 CE BMET B 184 9.099 14.782 40.291 0.50 27.89 C +ATOM 618 CE CMET B 184 7.506 17.120 38.969 0.50 26.47 C +ATOM 619 N ALA B 185 11.002 15.029 34.323 1.00 15.36 N +ATOM 620 CA ALA B 185 12.135 15.051 33.391 1.00 15.03 C +ATOM 621 C ALA B 185 12.360 16.479 32.860 1.00 15.37 C +ATOM 622 O ALA B 185 13.508 16.979 32.788 1.00 17.07 O +ATOM 623 CB ALA B 185 11.921 14.049 32.263 1.00 15.78 C +ATOM 624 N ASN B 186 11.271 17.121 32.468 1.00 15.48 N +ATOM 625 CA ASN B 186 11.393 18.502 31.995 1.00 15.93 C +ATOM 626 C ASN B 186 11.895 19.487 33.071 1.00 16.96 C +ATOM 627 O ASN B 186 12.785 20.339 32.799 1.00 17.57 O +ATOM 628 CB ASN B 186 10.035 18.943 31.437 1.00 16.30 C +ATOM 629 CG ASN B 186 9.741 18.383 30.052 1.00 16.85 C +ATOM 630 OD1 ASN B 186 10.614 17.796 29.352 1.00 17.66 O +ATOM 631 ND2 ASN B 186 8.476 18.598 29.610 1.00 18.56 N +ATOM 632 N LYS B 187 11.337 19.378 34.282 1.00 17.31 N +ATOM 633 CA LYS B 187 11.773 20.176 35.429 1.00 19.88 C +ATOM 634 C LYS B 187 13.246 19.961 35.767 1.00 17.37 C +ATOM 635 O LYS B 187 13.962 20.907 36.084 1.00 17.68 O +ATOM 636 CB LYS B 187 10.895 19.887 36.650 1.00 20.91 C +ATOM 637 CG LYS B 187 9.568 20.650 36.623 1.00 26.67 C +ATOM 638 CD LYS B 187 8.815 20.411 37.918 1.00 32.53 C +ATOM 639 CE LYS B 187 7.949 21.592 38.321 1.00 36.60 C +ATOM 640 NZ LYS B 187 7.051 21.239 39.479 1.00 39.99 N +ATOM 641 N ALA B 188 13.706 18.704 35.695 1.00 17.22 N +ATOM 642 CA ALA B 188 15.065 18.367 36.034 1.00 16.62 C +ATOM 643 C ALA B 188 16.017 18.970 35.010 1.00 15.78 C +ATOM 644 O ALA B 188 17.071 19.479 35.382 1.00 16.41 O +ATOM 645 CB ALA B 188 15.260 16.860 36.103 1.00 17.16 C +ATOM 646 N ALA B 189 15.630 18.899 33.744 1.00 15.92 N +ATOM 647 CA ALA B 189 16.432 19.519 32.669 1.00 15.93 C +ATOM 648 C ALA B 189 16.537 21.034 32.881 1.00 17.03 C +ATOM 649 O ALA B 189 17.651 21.586 32.780 1.00 17.19 O +ATOM 650 CB ALA B 189 15.874 19.207 31.334 1.00 16.12 C +ATOM 651 N GLU B 190 15.416 21.681 33.228 1.00 17.25 N +ATOM 652 CA GLU B 190 15.450 23.119 33.567 1.00 19.22 C +ATOM 653 C GLU B 190 16.396 23.423 34.712 1.00 18.99 C +ATOM 654 O GLU B 190 17.193 24.354 34.629 1.00 18.38 O +ATOM 655 CB GLU B 190 14.042 23.660 33.837 1.00 19.58 C +ATOM 656 CG GLU B 190 13.192 23.781 32.592 1.00 26.35 C +ATOM 657 CD GLU B 190 13.610 24.969 31.722 1.00 30.97 C +ATOM 658 OE1 GLU B 190 13.505 26.127 32.182 1.00 34.85 O +ATOM 659 OE2 GLU B 190 14.030 24.741 30.569 1.00 33.96 O +ATOM 660 N ALA B 191 16.371 22.594 35.760 1.00 18.01 N +ATOM 661 CA ALA B 191 17.298 22.757 36.874 1.00 19.35 C +ATOM 662 C ALA B 191 18.772 22.671 36.435 1.00 19.16 C +ATOM 663 O ALA B 191 19.615 23.460 36.883 1.00 20.41 O +ATOM 664 CB ALA B 191 16.982 21.712 37.946 1.00 19.19 C +ATOM 665 N VAL B 192 19.098 21.747 35.526 1.00 19.13 N +ATOM 666 CA VAL B 192 20.472 21.649 35.023 1.00 19.03 C +ATOM 667 C VAL B 192 20.799 22.900 34.196 1.00 20.06 C +ATOM 668 O VAL B 192 21.871 23.490 34.369 1.00 20.24 O +ATOM 669 CB VAL B 192 20.672 20.378 34.166 1.00 19.08 C +ATOM 670 CG1 VAL B 192 22.023 20.384 33.445 1.00 21.15 C +ATOM 671 CG2 VAL B 192 20.544 19.140 35.055 1.00 18.06 C +ATOM 672 N LEU B 193 19.866 23.304 33.348 1.00 19.97 N +ATOM 673 CA LEU B 193 20.093 24.487 32.486 1.00 21.28 C +ATOM 674 C LEU B 193 20.258 25.774 33.285 1.00 22.32 C +ATOM 675 O LEU B 193 21.015 26.685 32.873 1.00 23.67 O +ATOM 676 CB LEU B 193 18.985 24.638 31.471 1.00 21.41 C +ATOM 677 CG LEU B 193 18.990 23.568 30.376 1.00 21.08 C +ATOM 678 CD1 LEU B 193 17.707 23.736 29.562 1.00 18.99 C +ATOM 679 CD2 LEU B 193 20.309 23.623 29.531 1.00 19.30 C +ATOM 680 N LYS B 194 19.584 25.853 34.433 1.00 22.65 N +ATOM 681 CA LYS B 194 19.690 27.037 35.299 1.00 24.49 C +ATOM 682 C LYS B 194 20.904 26.972 36.221 1.00 25.13 C +ATOM 683 O LYS B 194 21.109 27.877 37.050 1.00 27.52 O +ATOM 684 CB LYS B 194 18.425 27.215 36.146 1.00 23.32 C +ATOM 685 CG LYS B 194 17.206 27.644 35.387 1.00 25.20 C +ATOM 686 CD LYS B 194 15.987 27.621 36.298 1.00 28.52 C +ATOM 687 CE LYS B 194 14.746 28.106 35.577 1.00 33.37 C +ATOM 688 NZ LYS B 194 13.466 27.705 36.262 1.00 35.86 N +ATOM 689 N GLY B 195 21.703 25.919 36.072 1.00 25.48 N +ATOM 690 CA GLY B 195 22.872 25.651 36.904 1.00 26.78 C +ATOM 691 C GLY B 195 22.532 25.499 38.375 1.00 27.89 C +ATOM 692 O GLY B 195 23.329 25.871 39.239 1.00 29.49 O +ATOM 693 N GLN B 196 21.342 24.975 38.665 1.00 27.50 N +ATOM 694 CA GLN B 196 20.925 24.723 40.046 1.00 28.25 C +ATOM 695 C GLN B 196 21.438 23.378 40.531 1.00 27.85 C +ATOM 696 O GLN B 196 21.677 23.195 41.740 1.00 28.89 O +ATOM 697 CB GLN B 196 19.412 24.769 40.184 1.00 28.29 C +ATOM 698 CG GLN B 196 18.800 26.162 39.989 1.00 29.59 C +ATOM 699 CD GLN B 196 17.281 26.124 39.888 1.00 30.01 C +ATOM 700 OE1 GLN B 196 16.693 25.088 39.585 1.00 32.75 O +ATOM 701 NE2 GLN B 196 16.638 27.265 40.133 1.00 34.14 N +ATOM 702 N VAL B 197 21.595 22.433 39.594 1.00 26.84 N +ATOM 703 CA VAL B 197 22.134 21.101 39.885 1.00 26.00 C +ATOM 704 C VAL B 197 23.068 20.626 38.771 1.00 26.36 C +ATOM 705 O VAL B 197 22.986 21.123 37.645 1.00 26.70 O +ATOM 706 CB VAL B 197 21.004 20.030 40.082 1.00 26.16 C +ATOM 707 CG1 VAL B 197 20.118 20.380 41.251 1.00 26.12 C +ATOM 708 CG2 VAL B 197 20.170 19.848 38.801 1.00 25.14 C +ATOM 709 N GLU B 198 23.916 19.648 39.079 1.00 25.82 N +ATOM 710 CA GLU B 198 24.935 19.163 38.161 1.00 26.24 C +ATOM 711 C GLU B 198 24.319 18.229 37.115 1.00 24.87 C +ATOM 712 O GLU B 198 24.626 18.328 35.928 1.00 25.21 O +ATOM 713 CB GLU B 198 26.008 18.426 38.948 1.00 27.69 C +ATOM 714 CG GLU B 198 27.176 17.893 38.170 1.00 31.99 C +ATOM 715 CD GLU B 198 28.139 17.146 39.077 1.00 38.03 C +ATOM 716 OE1 GLU B 198 27.876 15.953 39.383 1.00 40.79 O +ATOM 717 OE2 GLU B 198 29.147 17.761 39.495 1.00 41.23 O +ATOM 718 N THR B 199 23.473 17.313 37.579 1.00 22.68 N +ATOM 719 CA THR B 199 22.819 16.330 36.707 1.00 20.73 C +ATOM 720 C THR B 199 21.372 16.129 37.091 1.00 20.26 C +ATOM 721 O THR B 199 20.931 16.522 38.179 1.00 18.54 O +ATOM 722 CB THR B 199 23.489 14.930 36.795 1.00 20.74 C +ATOM 723 OG1 THR B 199 23.013 14.250 37.966 1.00 20.68 O +ATOM 724 CG2 THR B 199 25.015 15.028 36.825 1.00 24.50 C +ATOM 725 N ILE B 200 20.615 15.466 36.223 1.00 18.62 N +ATOM 726 CA ILE B 200 19.187 15.333 36.479 1.00 18.36 C +ATOM 727 C ILE B 200 18.884 14.378 37.653 1.00 19.05 C +ATOM 728 O ILE B 200 17.731 14.315 38.097 1.00 18.97 O +ATOM 729 CB ILE B 200 18.394 14.885 35.245 1.00 17.46 C +ATOM 730 CG1 ILE B 200 18.879 13.512 34.752 1.00 18.14 C +ATOM 731 CG2 ILE B 200 18.437 15.951 34.142 1.00 17.60 C +ATOM 732 CD1 ILE B 200 17.865 12.820 33.938 1.00 18.14 C +ATOM 733 N VAL B 201 19.893 13.645 38.120 1.00 18.98 N +ATOM 734 CA VAL B 201 19.708 12.748 39.282 1.00 20.84 C +ATOM 735 C VAL B 201 20.459 13.285 40.514 1.00 22.05 C +ATOM 736 O VAL B 201 20.640 12.586 41.510 1.00 22.27 O +ATOM 737 CB VAL B 201 20.077 11.255 38.976 1.00 20.93 C +ATOM 738 CG1 VAL B 201 19.033 10.633 38.023 1.00 21.59 C +ATOM 739 CG2 VAL B 201 21.504 11.167 38.407 1.00 21.90 C +ATOM 740 N SER B 202 20.840 14.559 40.467 1.00 22.17 N +ATOM 741 CA SER B 202 21.514 15.192 41.589 1.00 23.75 C +ATOM 742 C SER B 202 20.499 15.631 42.653 1.00 24.64 C +ATOM 743 O SER B 202 20.423 16.805 43.025 1.00 24.61 O +ATOM 744 CB SER B 202 22.380 16.356 41.090 1.00 22.90 C +ATOM 745 OG SER B 202 23.418 15.884 40.249 1.00 25.93 O +ATOM 746 N PHE B 203 19.709 14.672 43.135 1.00 25.97 N +ATOM 747 CA PHE B 203 18.656 14.961 44.111 1.00 26.81 C +ATOM 748 C PHE B 203 19.218 15.549 45.370 1.00 27.05 C +ATOM 749 O PHE B 203 20.348 15.250 45.759 1.00 27.76 O +ATOM 750 CB PHE B 203 17.924 13.691 44.486 1.00 27.10 C +ATOM 751 CG PHE B 203 17.290 13.037 43.335 1.00 27.89 C +ATOM 752 CD1 PHE B 203 16.156 13.586 42.747 1.00 28.02 C +ATOM 753 CD2 PHE B 203 17.840 11.881 42.802 1.00 28.37 C +ATOM 754 CE1 PHE B 203 15.572 12.974 41.638 1.00 30.04 C +ATOM 755 CE2 PHE B 203 17.251 11.274 41.714 1.00 28.51 C +ATOM 756 CZ PHE B 203 16.123 11.810 41.142 1.00 28.80 C +ATOM 757 N HIS B 204 18.404 16.394 45.986 1.00 27.66 N +ATOM 758 CA HIS B 204 18.806 17.110 47.190 1.00 28.08 C +ATOM 759 C HIS B 204 17.586 17.583 47.973 1.00 28.87 C +ATOM 760 O HIS B 204 16.423 17.467 47.538 1.00 26.78 O +ATOM 761 CB HIS B 204 19.684 18.299 46.812 1.00 28.64 C +ATOM 762 CG HIS B 204 18.960 19.344 46.024 1.00 28.56 C +ATOM 763 ND1 HIS B 204 18.891 19.315 44.648 1.00 30.26 N +ATOM 764 CD2 HIS B 204 18.247 20.428 46.416 1.00 29.21 C +ATOM 765 CE1 HIS B 204 18.192 20.354 44.223 1.00 30.02 C +ATOM 766 NE2 HIS B 204 17.778 21.036 45.278 1.00 31.60 N +ATOM 767 N ILE B 205 17.874 18.156 49.134 1.00 29.60 N +ATOM 768 CA ILE B 205 16.830 18.612 50.020 1.00 31.60 C +ATOM 769 C ILE B 205 16.934 20.131 50.191 1.00 32.67 C +ATOM 770 O ILE B 205 18.044 20.676 50.305 1.00 34.40 O +ATOM 771 CB ILE B 205 16.933 17.873 51.374 1.00 31.15 C +ATOM 772 CG1 ILE B 205 15.639 18.005 52.178 1.00 31.12 C +ATOM 773 CG2 ILE B 205 18.162 18.314 52.144 1.00 32.05 C +ATOM 774 CD1 ILE B 205 14.554 17.026 51.697 1.00 33.06 C +ATOM 775 OXT ILE B 205 15.931 20.859 50.200 1.00 33.38 O Added: SwiftApps/modFTdock/input/2vwr-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2vwr-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2vwr-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,730 @@ +ATOM 1 N SER A -1 20.128 12.809 24.526 1.00 19.40 N +ATOM 2 CA SER A -1 20.938 12.899 23.283 1.00 14.62 C +ATOM 3 C SER A -1 20.052 13.074 22.065 1.00 13.47 C +ATOM 4 O SER A -1 18.834 12.879 22.117 1.00 15.69 O +ATOM 5 CB SER A -1 21.786 11.646 23.101 1.00 17.49 C +ATOM 6 OG SER A -1 20.984 10.481 22.955 1.00 25.56 O +ATOM 7 N MET A 0 20.684 13.412 20.957 1.00 10.92 N +ATOM 8 CA MET A 0 20.000 13.465 19.689 1.00 9.70 C +ATOM 9 C MET A 0 20.956 13.195 18.552 1.00 9.06 C +ATOM 10 O MET A 0 22.158 13.370 18.682 1.00 13.20 O +ATOM 11 CB MET A 0 19.319 14.815 19.493 1.00 12.91 C +ATOM 12 CG MET A 0 20.286 15.963 19.402 1.00 15.71 C +ATOM 13 SD MET A 0 19.467 17.568 19.366 1.00 19.52 S +ATOM 14 CE MET A 0 18.819 17.665 21.032 1.00 31.08 C +ATOM 15 N GLU A 336 20.384 12.759 17.442 1.00 7.47 N +ATOM 16 CA GLU A 336 21.090 12.632 16.203 1.00 7.61 C +ATOM 17 C GLU A 336 20.689 13.781 15.297 1.00 8.80 C +ATOM 18 O GLU A 336 19.509 14.082 15.173 1.00 10.63 O +ATOM 19 CB GLU A 336 20.756 11.297 15.535 1.00 9.77 C +ATOM 20 CG GLU A 336 21.552 11.077 14.264 1.00 14.79 C +ATOM 21 CD GLU A 336 21.122 9.855 13.502 1.00 26.53 C +ATOM 22 OE1 GLU A 336 20.303 9.074 14.028 1.00 31.96 O +ATOM 23 OE2 GLU A 336 21.613 9.684 12.363 1.00 32.73 O +ATOM 24 N ILE A 337 21.679 14.418 14.693 1.00 7.18 N +ATOM 25 CA ILE A 337 21.451 15.424 13.665 1.00 7.38 C +ATOM 26 C ILE A 337 21.801 14.808 12.341 1.00 7.35 C +ATOM 27 O ILE A 337 22.895 14.249 12.178 1.00 9.86 O +ATOM 28 CB ILE A 337 22.306 16.675 13.857 1.00 9.41 C +ATOM 29 CG1 ILE A 337 22.197 17.198 15.271 1.00 12.88 C +ATOM 30 CG2 ILE A 337 21.949 17.745 12.806 1.00 11.50 C +ATOM 31 CD1 ILE A 337 20.874 17.635 15.639 1.00 14.81 C +ATOM 32 N LEU A 338 20.875 14.902 11.402 1.00 7.58 N +ATOM 33 CA LEU A 338 21.132 14.378 10.062 1.00 8.65 C +ATOM 34 C LEU A 338 20.456 15.222 8.993 1.00 7.20 C +ATOM 35 O LEU A 338 19.584 16.031 9.280 1.00 8.46 O +ATOM 36 CB LEU A 338 20.731 12.925 9.943 1.00 13.90 C +ATOM 37 CG LEU A 338 19.252 12.666 10.057 1.00 13.10 C +ATOM 38 CD1 LEU A 338 18.882 11.388 9.287 1.00 20.34 C +ATOM 39 CD2 LEU A 338 18.772 12.562 11.493 1.00 19.29 C +ATOM 40 N GLN A 339 20.928 15.069 7.768 1.00 7.20 N +ATOM 41 CA GLN A 339 20.395 15.791 6.642 1.00 7.97 C +ATOM 42 C GLN A 339 19.774 14.804 5.678 1.00 8.78 C +ATOM 43 O GLN A 339 20.362 13.773 5.376 1.00 12.62 O +ATOM 44 CB GLN A 339 21.472 16.631 5.956 1.00 11.22 C +ATOM 45 CG GLN A 339 22.010 17.704 6.886 1.00 17.34 C +ATOM 46 CD GLN A 339 22.853 18.757 6.211 1.00 25.58 C +ATOM 47 OE1 GLN A 339 22.673 19.078 5.034 1.00 22.54 O +ATOM 48 NE2 GLN A 339 23.778 19.328 6.973 1.00 35.80 N +ATOM 49 N VAL A 340 18.567 15.128 5.237 1.00 6.69 N +ATOM 50 CA VAL A 340 17.825 14.314 4.312 1.00 6.49 C +ATOM 51 C VAL A 340 17.450 15.146 3.110 1.00 6.92 C +ATOM 52 O VAL A 340 16.765 16.128 3.242 1.00 9.54 O +ATOM 53 CB VAL A 340 16.555 13.757 4.961 1.00 7.24 C +ATOM 54 CG1 VAL A 340 15.691 13.030 3.954 1.00 9.62 C +ATOM 55 CG2 VAL A 340 16.911 12.821 6.122 1.00 9.31 C +ATOM 56 N ALA A 341 17.874 14.713 1.934 1.00 7.20 N +ATOM 57 CA ALA A 341 17.555 15.401 0.689 1.00 8.32 C +ATOM 58 C ALA A 341 16.514 14.615 -0.079 1.00 7.94 C +ATOM 59 O ALA A 341 16.711 13.451 -0.375 1.00 12.11 O +ATOM 60 CB ALA A 341 18.823 15.574 -0.152 1.00 12.50 C +ATOM 61 N LEU A 342 15.396 15.253 -0.365 1.00 7.05 N +ATOM 62 CA LEU A 342 14.331 14.704 -1.186 1.00 7.53 C +ATOM 63 C LEU A 342 14.296 15.466 -2.509 1.00 6.69 C +ATOM 64 O LEU A 342 14.683 16.629 -2.573 1.00 9.96 O +ATOM 65 CB LEU A 342 12.989 14.824 -0.479 1.00 7.05 C +ATOM 66 CG LEU A 342 12.915 14.175 0.902 1.00 6.94 C +ATOM 67 CD1 LEU A 342 11.557 14.422 1.532 1.00 10.28 C +ATOM 68 CD2 LEU A 342 13.241 12.665 0.874 1.00 9.01 C +ATOM 69 N HIS A 343 13.820 14.806 -3.557 1.00 7.45 N +ATOM 70 CA HIS A 343 13.788 15.443 -4.867 1.00 8.58 C +ATOM 71 C HIS A 343 12.402 15.443 -5.494 1.00 7.84 C +ATOM 72 O HIS A 343 11.834 14.379 -5.778 1.00 11.03 O +ATOM 73 CB HIS A 343 14.817 14.786 -5.773 1.00 10.46 C +ATOM 74 CG HIS A 343 16.223 15.001 -5.303 1.00 12.40 C +ATOM 75 ND1 HIS A 343 16.996 16.053 -5.741 1.00 16.70 N +ATOM 76 CD2 HIS A 343 16.965 14.349 -4.376 1.00 19.64 C +ATOM 77 CE1 HIS A 343 18.175 16.010 -5.143 1.00 18.81 C +ATOM 78 NE2 HIS A 343 18.179 14.989 -4.305 1.00 19.15 N +ATOM 79 N LYS A 344 11.837 16.643 -5.638 1.00 9.81 N +ATOM 80 CA LYS A 344 10.512 16.790 -6.253 1.00 10.04 C +ATOM 81 C LYS A 344 10.588 16.474 -7.733 1.00 12.69 C +ATOM 82 O LYS A 344 11.432 17.042 -8.419 1.00 14.69 O +ATOM 83 CB LYS A 344 9.985 18.217 -6.073 1.00 12.34 C +ATOM 84 CG LYS A 344 9.686 18.625 -4.623 1.00 12.62 C +ATOM 85 CD LYS A 344 8.576 19.704 -4.546 1.00 31.05 C +ATOM 86 CE LYS A 344 8.996 21.073 -5.051 1.00 24.45 C +ATOM 87 NZ LYS A 344 8.322 22.218 -4.361 1.00 21.96 N +ATOM 88 N ARG A 345 9.704 15.604 -8.215 1.00 13.65 N +ATOM 89 CA ARG A 345 9.688 15.217 -9.636 1.00 17.02 C +ATOM 90 C ARG A 345 8.948 16.257 -10.475 1.00 17.99 C +ATOM 91 O ARG A 345 9.156 16.335 -11.696 1.00 22.78 O +ATOM 92 CB ARG A 345 9.080 13.819 -9.812 1.00 18.82 C +ATOM 93 CG ARG A 345 9.882 12.720 -9.103 1.00 23.83 C +ATOM 94 CD ARG A 345 10.108 11.497 -9.984 1.00 35.96 C +ATOM 95 NE ARG A 345 10.943 10.483 -9.336 1.00 41.80 N +ATOM 96 CZ ARG A 345 11.421 9.393 -9.940 1.00 38.74 C +ATOM 97 NH1 ARG A 345 11.158 9.156 -11.222 1.00 41.88 N +ATOM 98 NH2 ARG A 345 12.172 8.530 -9.257 1.00 33.93 N +ATOM 99 N ASP A 346 8.081 17.035 -9.822 1.00 16.60 N +ATOM 100 CA ASP A 346 7.475 18.241 -10.404 1.00 17.38 C +ATOM 101 C ASP A 346 7.449 19.320 -9.327 1.00 14.18 C +ATOM 102 O ASP A 346 7.531 19.010 -8.142 1.00 14.00 O +ATOM 103 CB ASP A 346 6.064 17.959 -10.970 1.00 19.09 C +ATOM 104 CG ASP A 346 5.028 17.642 -9.898 1.00 19.81 C +ATOM 105 OD1 ASP A 346 4.382 18.582 -9.384 1.00 22.06 O +ATOM 106 OD2 ASP A 346 4.810 16.436 -9.621 1.00 23.43 O +ATOM 107 N SER A 347 7.329 20.578 -9.725 1.00 13.19 N +ATOM 108 CA SER A 347 7.384 21.702 -8.783 1.00 13.78 C +ATOM 109 C SER A 347 6.252 21.710 -7.764 1.00 11.76 C +ATOM 110 O SER A 347 6.341 22.373 -6.725 1.00 14.54 O +ATOM 111 CB SER A 347 7.433 23.044 -9.519 1.00 14.22 C +ATOM 112 OG SER A 347 6.243 23.269 -10.244 1.00 16.20 O +ATOM 113 N GLY A 348 5.172 20.998 -8.084 1.00 11.38 N +ATOM 114 CA GLY A 348 4.049 20.871 -7.180 1.00 10.63 C +ATOM 115 C GLY A 348 3.987 19.585 -6.383 1.00 10.54 C +ATOM 116 O GLY A 348 2.994 19.372 -5.694 1.00 11.58 O +ATOM 117 N GLU A 349 5.011 18.735 -6.462 1.00 10.14 N +ATOM 118 CA GLU A 349 4.979 17.475 -5.723 1.00 10.90 C +ATOM 119 C GLU A 349 5.094 17.732 -4.229 1.00 11.70 C +ATOM 120 O GLU A 349 5.900 18.539 -3.792 1.00 12.51 O +ATOM 121 CB GLU A 349 6.077 16.500 -6.154 1.00 11.37 C +ATOM 122 CG GLU A 349 5.878 15.118 -5.509 1.00 13.41 C +ATOM 123 CD GLU A 349 6.796 14.031 -6.016 1.00 14.39 C +ATOM 124 OE1 GLU A 349 7.821 14.327 -6.657 1.00 17.24 O +ATOM 125 OE2 GLU A 349 6.498 12.847 -5.728 1.00 19.88 O +ATOM 126 N GLN A 350 4.285 17.037 -3.431 1.00 13.12 N +ATOM 127 CA GLN A 350 4.419 17.166 -1.988 1.00 13.43 C +ATOM 128 C GLN A 350 5.510 16.223 -1.502 1.00 9.97 C +ATOM 129 O GLN A 350 5.923 15.294 -2.196 1.00 11.21 O +ATOM 130 CB GLN A 350 3.109 16.888 -1.274 1.00 17.00 C +ATOM 131 CG AGLN A 350 2.086 17.994 -1.457 0.50 13.19 C +ATOM 132 CD AGLN A 350 0.701 17.540 -1.069 0.50 12.56 C +ATOM 133 OE1AGLN A 350 0.216 16.501 -1.557 0.50 18.97 O +ATOM 134 NE2AGLN A 350 0.049 18.301 -0.192 0.50 15.21 N +ATOM 135 N LEU A 351 5.980 16.475 -0.298 1.00 9.09 N +ATOM 136 CA LEU A 351 7.002 15.642 0.309 1.00 7.79 C +ATOM 137 C LEU A 351 6.406 14.423 0.970 1.00 6.95 C +ATOM 138 O LEU A 351 7.112 13.436 1.174 1.00 7.83 O +ATOM 139 CB LEU A 351 7.785 16.430 1.341 1.00 10.03 C +ATOM 140 CG LEU A 351 8.464 17.680 0.774 1.00 13.65 C +ATOM 141 CD1 LEU A 351 9.327 18.337 1.851 1.00 16.68 C +ATOM 142 CD2 LEU A 351 9.285 17.333 -0.465 1.00 14.79 C +ATOM 143 N GLY A 352 5.127 14.475 1.336 1.00 6.45 N +ATOM 144 CA GLY A 352 4.529 13.361 2.072 1.00 5.80 C +ATOM 145 C GLY A 352 4.856 13.345 3.551 1.00 5.53 C +ATOM 146 O GLY A 352 5.144 12.296 4.119 1.00 6.57 O +ATOM 147 N ILE A 353 4.790 14.519 4.179 1.00 6.22 N +ATOM 148 CA ILE A 353 5.150 14.697 5.587 1.00 6.82 C +ATOM 149 C ILE A 353 4.027 15.459 6.274 1.00 6.99 C +ATOM 150 O ILE A 353 3.566 16.461 5.762 1.00 9.28 O +ATOM 151 CB ILE A 353 6.489 15.508 5.743 1.00 8.22 C +ATOM 152 CG1 ILE A 353 7.649 14.867 4.981 1.00 9.99 C +ATOM 153 CG2 ILE A 353 6.832 15.684 7.223 1.00 12.01 C +ATOM 154 CD1 ILE A 353 8.873 15.766 4.839 1.00 13.13 C +ATOM 155 N LYS A 354 3.586 14.957 7.413 1.00 7.07 N +ATOM 156 CA LYS A 354 2.690 15.683 8.288 1.00 6.19 C +ATOM 157 C LYS A 354 3.510 16.425 9.341 1.00 8.23 C +ATOM 158 O LYS A 354 4.179 15.810 10.163 1.00 8.25 O +ATOM 159 CB LYS A 354 1.699 14.734 8.954 1.00 8.22 C +ATOM 160 CG LYS A 354 0.953 13.836 7.994 1.00 15.14 C +ATOM 161 CD LYS A 354 -0.238 13.152 8.664 1.00 20.17 C +ATOM 162 CE LYS A 354 -0.766 11.971 7.851 1.00 17.14 C +ATOM 163 NZ LYS A 354 -1.781 11.169 8.587 1.00 23.82 N +ATOM 164 N LEU A 355 3.477 17.754 9.278 1.00 6.53 N +ATOM 165 CA LEU A 355 4.253 18.608 10.175 1.00 7.05 C +ATOM 166 C LEU A 355 3.340 19.222 11.220 1.00 6.95 C +ATOM 167 O LEU A 355 2.267 19.693 10.894 1.00 8.65 O +ATOM 168 CB LEU A 355 4.977 19.717 9.405 1.00 9.04 C +ATOM 169 CG LEU A 355 6.120 19.350 8.473 1.00 11.98 C +ATOM 170 CD1 LEU A 355 6.685 20.618 7.819 1.00 16.38 C +ATOM 171 CD2 LEU A 355 7.190 18.609 9.229 1.00 12.08 C +ATOM 172 N VAL A 356 3.808 19.255 12.458 1.00 6.35 N +ATOM 173 CA VAL A 356 3.041 19.777 13.571 1.00 6.35 C +ATOM 174 C VAL A 356 3.855 20.658 14.495 1.00 6.32 C +ATOM 175 O VAL A 356 5.072 20.554 14.588 1.00 7.02 O +ATOM 176 CB VAL A 356 2.419 18.631 14.430 1.00 7.14 C +ATOM 177 CG1 VAL A 356 1.471 17.776 13.574 1.00 10.40 C +ATOM 178 CG2 VAL A 356 3.466 17.784 15.139 1.00 8.76 C +ATOM 179 N ARG A 357 3.147 21.542 15.177 1.00 6.06 N +ATOM 180 CA ARG A 357 3.667 22.214 16.353 1.00 6.42 C +ATOM 181 C ARG A 357 3.277 21.419 17.588 1.00 7.93 C +ATOM 182 O ARG A 357 2.320 20.643 17.569 1.00 10.12 O +ATOM 183 CB ARG A 357 3.154 23.651 16.436 1.00 7.91 C +ATOM 184 CG ARG A 357 1.670 23.812 16.738 1.00 8.11 C +ATOM 185 CD ARG A 357 1.240 25.229 16.426 1.00 11.78 C +ATOM 186 NE ARG A 357 -0.147 25.442 16.818 1.00 11.84 N +ATOM 187 CZ ARG A 357 -0.924 26.419 16.356 1.00 13.32 C +ATOM 188 NH1 ARG A 357 -0.470 27.304 15.491 1.00 13.58 N +ATOM 189 NH2 ARG A 357 -2.176 26.505 16.774 1.00 15.33 N +ATOM 190 N ARG A 358 4.018 21.637 18.670 1.00 7.87 N +ATOM 191 CA ARG A 358 3.751 20.948 19.936 1.00 10.55 C +ATOM 192 C ARG A 358 3.407 21.916 21.018 1.00 12.37 C +ATOM 193 O ARG A 358 3.895 23.032 21.024 1.00 12.41 O +ATOM 194 CB ARG A 358 4.972 20.177 20.387 1.00 11.13 C +ATOM 195 CG ARG A 358 5.165 18.961 19.570 1.00 14.31 C +ATOM 196 CD ARG A 358 6.317 18.166 20.053 1.00 14.64 C +ATOM 197 NE ARG A 358 6.432 16.964 19.256 1.00 20.85 N +ATOM 198 CZ ARG A 358 7.389 16.056 19.399 1.00 21.75 C +ATOM 199 NH1 ARG A 358 8.324 16.190 20.332 1.00 26.11 N +ATOM 200 NH2 ARG A 358 7.410 15.002 18.596 1.00 19.78 N +ATOM 201 N THR A 359 2.593 21.449 21.958 1.00 13.46 N +ATOM 202 CA THR A 359 2.064 22.292 23.024 1.00 16.07 C +ATOM 203 C THR A 359 3.003 22.470 24.213 1.00 14.82 C +ATOM 204 O THR A 359 2.719 23.286 25.078 1.00 19.95 O +ATOM 205 CB THR A 359 0.724 21.742 23.541 1.00 15.98 C +ATOM 206 OG1 THR A 359 0.901 20.365 23.892 1.00 20.67 O +ATOM 207 CG2 THR A 359 -0.319 21.846 22.445 1.00 18.95 C +ATOM 208 N ASP A 360 4.122 21.754 24.245 1.00 16.37 N +ATOM 209 CA ASP A 360 5.000 21.772 25.411 1.00 18.65 C +ATOM 210 C ASP A 360 6.472 21.999 25.078 1.00 17.69 C +ATOM 211 O ASP A 360 7.320 21.926 25.961 1.00 20.53 O +ATOM 212 CB ASP A 360 4.850 20.464 26.181 1.00 23.44 C +ATOM 213 CG ASP A 360 5.179 19.239 25.334 1.00 31.95 C +ATOM 214 OD1 ASP A 360 5.466 19.385 24.118 1.00 29.18 O +ATOM 215 OD2 ASP A 360 5.137 18.121 25.887 1.00 45.79 O +ATOM 216 N GLU A 361 6.790 22.264 23.815 1.00 15.18 N +ATOM 217 CA GLU A 361 8.160 22.554 23.416 1.00 15.75 C +ATOM 218 C GLU A 361 8.153 23.236 22.054 1.00 13.50 C +ATOM 219 O GLU A 361 7.240 23.042 21.248 1.00 11.92 O +ATOM 220 CB GLU A 361 8.999 21.268 23.355 1.00 17.87 C +ATOM 221 CG GLU A 361 8.564 20.268 22.295 1.00 15.99 C +ATOM 222 CD GLU A 361 9.431 19.010 22.286 1.00 17.81 C +ATOM 223 OE1 GLU A 361 10.659 19.146 22.161 1.00 25.99 O +ATOM 224 OE2 GLU A 361 8.881 17.905 22.411 1.00 32.00 O +ATOM 225 N PRO A 362 9.178 24.036 21.791 1.00 11.31 N +ATOM 226 CA PRO A 362 9.234 24.766 20.542 1.00 9.48 C +ATOM 227 C PRO A 362 9.672 23.871 19.401 1.00 10.21 C +ATOM 228 O PRO A 362 10.263 22.802 19.630 1.00 10.48 O +ATOM 229 CB PRO A 362 10.283 25.836 20.815 1.00 13.51 C +ATOM 230 CG PRO A 362 11.215 25.168 21.786 1.00 13.32 C +ATOM 231 CD PRO A 362 10.337 24.320 22.656 1.00 13.95 C +ATOM 232 N GLY A 363 9.388 24.307 18.178 1.00 8.28 N +ATOM 233 CA GLY A 363 9.868 23.605 17.007 1.00 8.52 C +ATOM 234 C GLY A 363 8.771 23.103 16.084 1.00 7.13 C +ATOM 235 O GLY A 363 7.579 23.153 16.414 1.00 7.59 O +ATOM 236 N VAL A 364 9.206 22.606 14.930 1.00 6.41 N +ATOM 237 CA VAL A 364 8.341 21.984 13.950 1.00 6.55 C +ATOM 238 C VAL A 364 8.734 20.517 13.912 1.00 5.36 C +ATOM 239 O VAL A 364 9.921 20.186 13.789 1.00 6.15 O +ATOM 240 CB VAL A 364 8.562 22.633 12.560 1.00 9.09 C +ATOM 241 CG1 VAL A 364 7.696 21.998 11.538 1.00 11.32 C +ATOM 242 CG2 VAL A 364 8.330 24.131 12.631 1.00 12.01 C +ATOM 243 N PHE A 365 7.745 19.636 14.012 1.00 5.13 N +ATOM 244 CA PHE A 365 7.985 18.206 14.179 1.00 6.39 C +ATOM 245 C PHE A 365 7.260 17.401 13.145 1.00 6.13 C +ATOM 246 O PHE A 365 6.154 17.747 12.715 1.00 8.29 O +ATOM 247 CB PHE A 365 7.554 17.743 15.584 1.00 6.64 C +ATOM 248 CG PHE A 365 8.328 18.414 16.676 1.00 6.56 C +ATOM 249 CD1 PHE A 365 9.453 17.844 17.194 1.00 6.87 C +ATOM 250 CD2 PHE A 365 7.922 19.638 17.169 1.00 6.58 C +ATOM 251 CE1 PHE A 365 10.178 18.486 18.181 1.00 8.33 C +ATOM 252 CE2 PHE A 365 8.641 20.269 18.156 1.00 8.36 C +ATOM 253 CZ PHE A 365 9.765 19.681 18.653 1.00 8.49 C +ATOM 254 N ILE A 366 7.866 16.282 12.766 1.00 5.72 N +ATOM 255 CA ILE A 366 7.185 15.310 11.921 1.00 5.98 C +ATOM 256 C ILE A 366 6.274 14.467 12.801 1.00 7.53 C +ATOM 257 O ILE A 366 6.726 13.828 13.751 1.00 8.02 O +ATOM 258 CB ILE A 366 8.192 14.401 11.195 1.00 6.56 C +ATOM 259 CG1 ILE A 366 9.084 15.265 10.320 1.00 7.81 C +ATOM 260 CG2 ILE A 366 7.493 13.339 10.346 1.00 8.37 C +ATOM 261 CD1 ILE A 366 10.065 14.515 9.462 1.00 9.96 C +ATOM 262 N LEU A 367 4.981 14.441 12.481 1.00 6.69 N +ATOM 263 CA LEU A 367 4.062 13.561 13.167 1.00 9.23 C +ATOM 264 C LEU A 367 4.149 12.162 12.550 1.00 8.28 C +ATOM 265 O LEU A 367 4.259 11.163 13.265 1.00 9.20 O +ATOM 266 CB LEU A 367 2.651 14.122 13.100 1.00 9.63 C +ATOM 267 CG LEU A 367 1.589 13.339 13.869 1.00 10.85 C +ATOM 268 CD1 LEU A 367 1.808 13.508 15.371 1.00 13.84 C +ATOM 269 CD2 LEU A 367 0.192 13.819 13.461 1.00 17.22 C +ATOM 270 N ASP A 368 4.066 12.102 11.222 1.00 8.00 N +ATOM 271 CA ASP A 368 4.172 10.849 10.482 1.00 8.97 C +ATOM 272 C ASP A 368 4.374 11.200 9.011 1.00 7.38 C +ATOM 273 O ASP A 368 4.342 12.361 8.636 1.00 7.85 O +ATOM 274 CB ASP A 368 2.937 9.975 10.701 1.00 15.92 C +ATOM 275 CG ASP A 368 1.688 10.662 10.296 1.00 18.18 C +ATOM 276 OD1 ASP A 368 1.592 10.998 9.115 1.00 27.37 O +ATOM 277 OD2 ASP A 368 0.793 10.869 11.145 1.00 37.45 O +ATOM 278 N LEU A 369 4.617 10.172 8.213 1.00 9.96 N +ATOM 279 CA LEU A 369 4.789 10.277 6.792 1.00 9.02 C +ATOM 280 C LEU A 369 3.575 9.694 6.086 1.00 10.85 C +ATOM 281 O LEU A 369 2.923 8.753 6.590 1.00 16.71 O +ATOM 282 CB LEU A 369 6.040 9.523 6.346 1.00 9.54 C +ATOM 283 CG LEU A 369 7.348 9.882 7.039 1.00 11.95 C +ATOM 284 CD1 LEU A 369 8.469 9.086 6.358 1.00 12.55 C +ATOM 285 CD2 LEU A 369 7.634 11.373 6.998 1.00 10.74 C +ATOM 286 N LEU A 370 3.267 10.244 4.924 1.00 10.18 N +ATOM 287 CA LEU A 370 2.173 9.751 4.101 1.00 9.91 C +ATOM 288 C LEU A 370 2.603 8.536 3.287 1.00 9.77 C +ATOM 289 O LEU A 370 3.694 8.497 2.729 1.00 9.19 O +ATOM 290 CB LEU A 370 1.680 10.825 3.129 1.00 11.13 C +ATOM 291 CG ALEU A 370 1.134 12.139 3.683 0.50 15.44 C +ATOM 292 CG BLEU A 370 0.968 12.064 3.714 0.50 17.99 C +ATOM 293 CD1ALEU A 370 0.485 12.974 2.576 0.50 17.87 C +ATOM 294 CD1BLEU A 370 1.609 12.601 4.995 0.50 15.38 C +ATOM 295 CD2ALEU A 370 0.158 11.845 4.773 0.50 17.28 C +ATOM 296 CD2BLEU A 370 0.866 13.175 2.664 0.50 22.58 C +ATOM 297 N GLU A 371 1.707 7.561 3.187 1.00 12.24 N +ATOM 298 CA GLU A 371 1.930 6.353 2.392 1.00 14.34 C +ATOM 299 C GLU A 371 2.369 6.686 0.979 1.00 13.82 C +ATOM 300 O GLU A 371 1.738 7.485 0.314 1.00 14.65 O +ATOM 301 CB GLU A 371 0.618 5.543 2.312 1.00 18.79 C +ATOM 302 CG GLU A 371 0.785 4.168 1.682 1.00 22.16 C +ATOM 303 CD GLU A 371 -0.488 3.358 1.710 1.00 31.25 C +ATOM 304 OE1 GLU A 371 -1.564 3.948 1.927 1.00 23.39 O +ATOM 305 OE2 GLU A 371 -0.412 2.128 1.508 1.00 44.28 O +ATOM 306 N GLY A 372 3.467 6.086 0.533 1.00 11.43 N +ATOM 307 CA GLY A 372 3.898 6.213 -0.864 1.00 14.98 C +ATOM 308 C GLY A 372 4.490 7.564 -1.252 1.00 12.08 C +ATOM 309 O GLY A 372 4.870 7.772 -2.408 1.00 13.34 O +ATOM 310 N GLY A 373 4.612 8.482 -0.299 1.00 9.86 N +ATOM 311 CA GLY A 373 5.146 9.787 -0.608 1.00 9.55 C +ATOM 312 C GLY A 373 6.653 9.766 -0.727 1.00 7.46 C +ATOM 313 O GLY A 373 7.303 8.764 -0.407 1.00 7.40 O +ATOM 314 N LEU A 374 7.222 10.891 -1.146 1.00 7.62 N +ATOM 315 CA LEU A 374 8.672 10.979 -1.316 1.00 8.00 C +ATOM 316 C LEU A 374 9.398 10.637 -0.047 1.00 6.30 C +ATOM 317 O LEU A 374 10.426 9.958 -0.078 1.00 6.05 O +ATOM 318 CB LEU A 374 9.091 12.399 -1.714 1.00 10.73 C +ATOM 319 CG LEU A 374 8.977 12.843 -3.153 1.00 14.71 C +ATOM 320 CD1 LEU A 374 9.439 14.280 -3.194 1.00 13.54 C +ATOM 321 CD2 LEU A 374 9.823 11.953 -4.047 1.00 13.69 C +ATOM 322 N ALA A 375 8.923 11.169 1.076 1.00 6.10 N +ATOM 323 CA ALA A 375 9.617 10.951 2.343 1.00 5.50 C +ATOM 324 C ALA A 375 9.603 9.484 2.750 1.00 6.00 C +ATOM 325 O ALA A 375 10.614 8.938 3.177 1.00 5.85 O +ATOM 326 CB ALA A 375 9.039 11.836 3.429 1.00 6.62 C +ATOM 327 N ALA A 376 8.451 8.841 2.592 1.00 5.17 N +ATOM 328 CA ALA A 376 8.324 7.429 2.900 1.00 5.95 C +ATOM 329 C ALA A 376 9.207 6.590 1.979 1.00 6.68 C +ATOM 330 O ALA A 376 9.846 5.647 2.421 1.00 7.67 O +ATOM 331 CB ALA A 376 6.877 6.965 2.811 1.00 8.50 C +ATOM 332 N GLN A 377 9.239 6.927 0.693 1.00 6.75 N +ATOM 333 CA GLN A 377 10.080 6.208 -0.242 1.00 5.96 C +ATOM 334 C GLN A 377 11.545 6.330 0.121 1.00 5.84 C +ATOM 335 O GLN A 377 12.322 5.375 -0.015 1.00 6.68 O +ATOM 336 CB GLN A 377 9.884 6.725 -1.657 1.00 6.18 C +ATOM 337 CG GLN A 377 8.528 6.335 -2.259 1.00 8.92 C +ATOM 338 CD GLN A 377 8.364 6.902 -3.633 1.00 11.62 C +ATOM 339 OE1 GLN A 377 9.187 6.663 -4.520 1.00 14.68 O +ATOM 340 NE2 GLN A 377 7.314 7.675 -3.818 1.00 14.96 N +ATOM 341 N ASP A 378 11.944 7.519 0.550 1.00 5.19 N +ATOM 342 CA ASP A 378 13.315 7.747 0.941 1.00 5.40 C +ATOM 343 C ASP A 378 13.687 6.947 2.180 1.00 6.21 C +ATOM 344 O ASP A 378 14.794 6.435 2.255 1.00 7.92 O +ATOM 345 CB ASP A 378 13.577 9.248 1.150 1.00 5.38 C +ATOM 346 CG ASP A 378 14.928 9.517 1.707 1.00 7.25 C +ATOM 347 OD1 ASP A 378 15.893 9.620 0.899 1.00 7.92 O +ATOM 348 OD2 ASP A 378 15.039 9.605 2.962 1.00 7.45 O +ATOM 349 N GLY A 379 12.777 6.884 3.146 1.00 6.05 N +ATOM 350 CA GLY A 379 12.890 6.010 4.303 1.00 8.24 C +ATOM 351 C GLY A 379 13.464 6.635 5.554 1.00 8.42 C +ATOM 352 O GLY A 379 13.208 6.144 6.652 1.00 12.24 O +ATOM 353 N ARG A 380 14.251 7.704 5.407 1.00 6.54 N +ATOM 354 CA ARG A 380 15.018 8.218 6.545 1.00 8.04 C +ATOM 355 C ARG A 380 14.197 8.973 7.569 1.00 8.63 C +ATOM 356 O ARG A 380 14.369 8.776 8.766 1.00 13.68 O +ATOM 357 CB ARG A 380 16.169 9.085 6.066 1.00 7.42 C +ATOM 358 CG ARG A 380 17.222 8.284 5.355 1.00 9.19 C +ATOM 359 CD ARG A 380 18.320 9.143 4.763 1.00 9.89 C +ATOM 360 NE ARG A 380 17.874 9.848 3.578 1.00 8.34 N +ATOM 361 CZ ARG A 380 18.629 10.670 2.865 1.00 7.37 C +ATOM 362 NH1 ARG A 380 19.872 10.932 3.235 1.00 10.70 N +ATOM 363 NH2 ARG A 380 18.144 11.253 1.797 1.00 8.55 N +ATOM 364 N LEU A 381 13.341 9.866 7.116 1.00 7.63 N +ATOM 365 CA LEU A 381 12.584 10.684 8.035 1.00 7.29 C +ATOM 366 C LEU A 381 11.646 9.839 8.871 1.00 9.21 C +ATOM 367 O LEU A 381 11.231 8.751 8.454 1.00 11.25 O +ATOM 368 CB LEU A 381 11.816 11.766 7.291 1.00 7.30 C +ATOM 369 CG LEU A 381 12.687 12.823 6.589 1.00 8.01 C +ATOM 370 CD1 LEU A 381 11.836 13.663 5.678 1.00 10.86 C +ATOM 371 CD2 LEU A 381 13.434 13.710 7.580 1.00 9.67 C +ATOM 372 N SER A 382 11.325 10.343 10.062 1.00 7.94 N +ATOM 373 CA SER A 382 10.576 9.586 11.039 1.00 8.89 C +ATOM 374 C SER A 382 9.708 10.456 11.922 1.00 7.68 C +ATOM 375 O SER A 382 10.045 11.579 12.207 1.00 7.74 O +ATOM 376 CB SER A 382 11.569 8.839 11.926 1.00 10.93 C +ATOM 377 OG SER A 382 10.887 7.933 12.776 1.00 14.79 O +ATOM 378 N SER A 383 8.643 9.859 12.435 1.00 7.02 N +ATOM 379 CA SER A 383 7.847 10.451 13.491 1.00 7.93 C +ATOM 380 C SER A 383 8.764 10.917 14.610 1.00 6.25 C +ATOM 381 O SER A 383 9.705 10.210 14.994 1.00 8.15 O +ATOM 382 CB ASER A 383 6.847 9.400 13.997 0.50 7.51 C +ATOM 383 CB BSER A 383 6.831 9.449 14.047 0.50 7.96 C +ATOM 384 OG ASER A 383 5.958 9.906 14.963 0.50 6.38 O +ATOM 385 OG BSER A 383 7.493 8.347 14.647 0.50 13.69 O +ATOM 386 N ASN A 384 8.476 12.127 15.105 1.00 5.84 N +ATOM 387 CA ASN A 384 9.180 12.780 16.210 1.00 6.94 C +ATOM 388 C ASN A 384 10.454 13.506 15.833 1.00 6.49 C +ATOM 389 O ASN A 384 11.045 14.165 16.682 1.00 8.19 O +ATOM 390 CB ASN A 384 9.345 11.845 17.409 1.00 8.16 C +ATOM 391 CG ASN A 384 8.018 11.464 17.982 1.00 9.85 C +ATOM 392 OD1 ASN A 384 7.313 12.311 18.530 1.00 12.30 O +ATOM 393 ND2 ASN A 384 7.642 10.213 17.832 1.00 9.84 N +ATOM 394 N ASP A 385 10.845 13.450 14.563 1.00 6.15 N +ATOM 395 CA ASP A 385 11.970 14.223 14.106 1.00 5.99 C +ATOM 396 C ASP A 385 11.601 15.697 14.206 1.00 6.29 C +ATOM 397 O ASP A 385 10.491 16.107 13.839 1.00 6.95 O +ATOM 398 CB ASP A 385 12.290 13.888 12.648 1.00 6.83 C +ATOM 399 CG ASP A 385 13.037 12.585 12.472 1.00 8.10 C +ATOM 400 OD1 ASP A 385 13.484 11.982 13.468 1.00 8.15 O +ATOM 401 OD2 ASP A 385 13.210 12.189 11.298 1.00 8.89 O +ATOM 402 N ARG A 386 12.550 16.500 14.650 1.00 5.25 N +ATOM 403 CA ARG A 386 12.408 17.938 14.683 1.00 4.99 C +ATOM 404 C ARG A 386 13.100 18.513 13.447 1.00 4.96 C +ATOM 405 O ARG A 386 14.246 18.205 13.173 1.00 6.86 O +ATOM 406 CB ARG A 386 13.041 18.529 15.935 1.00 6.14 C +ATOM 407 CG ARG A 386 12.863 20.012 16.008 1.00 7.50 C +ATOM 408 CD ARG A 386 13.501 20.585 17.212 1.00 8.27 C +ATOM 409 NE ARG A 386 13.318 22.031 17.331 1.00 8.88 N +ATOM 410 CZ ARG A 386 13.737 22.686 18.396 1.00 11.23 C +ATOM 411 NH1 ARG A 386 14.346 22.016 19.366 1.00 16.53 N +ATOM 412 NH2 ARG A 386 13.543 23.977 18.514 1.00 13.37 N +ATOM 413 N VAL A 387 12.379 19.326 12.678 1.00 5.73 N +ATOM 414 CA VAL A 387 12.946 19.961 11.493 1.00 6.02 C +ATOM 415 C VAL A 387 13.643 21.257 11.915 1.00 5.20 C +ATOM 416 O VAL A 387 12.992 22.215 12.306 1.00 6.89 O +ATOM 417 CB VAL A 387 11.865 20.242 10.411 1.00 6.77 C +ATOM 418 CG1 VAL A 387 12.525 20.854 9.177 1.00 7.75 C +ATOM 419 CG2 VAL A 387 11.100 18.960 10.023 1.00 9.25 C +ATOM 420 N LEU A 388 14.971 21.250 11.874 1.00 4.90 N +ATOM 421 CA LEU A 388 15.774 22.399 12.259 1.00 5.97 C +ATOM 422 C LEU A 388 15.917 23.418 11.129 1.00 5.73 C +ATOM 423 O LEU A 388 16.055 24.599 11.409 1.00 6.02 O +ATOM 424 CB LEU A 388 17.164 21.952 12.706 1.00 6.50 C +ATOM 425 CG LEU A 388 17.211 21.067 13.939 1.00 7.90 C +ATOM 426 CD1 LEU A 388 18.665 20.650 14.173 1.00 10.54 C +ATOM 427 CD2 LEU A 388 16.639 21.761 15.161 1.00 12.65 C +ATOM 428 N ALA A 389 15.899 22.967 9.877 1.00 4.96 N +ATOM 429 CA ALA A 389 16.078 23.839 8.738 1.00 5.86 C +ATOM 430 C ALA A 389 15.613 23.097 7.501 1.00 4.94 C +ATOM 431 O ALA A 389 15.630 21.863 7.462 1.00 5.30 O +ATOM 432 CB ALA A 389 17.559 24.243 8.565 1.00 7.39 C +ATOM 433 N ILE A 390 15.205 23.857 6.494 1.00 4.78 N +ATOM 434 CA ILE A 390 14.911 23.339 5.159 1.00 5.74 C +ATOM 435 C ILE A 390 15.615 24.249 4.162 1.00 5.48 C +ATOM 436 O ILE A 390 15.437 25.465 4.181 1.00 5.95 O +ATOM 437 CB ILE A 390 13.401 23.285 4.848 1.00 7.45 C +ATOM 438 CG1 ILE A 390 12.699 22.291 5.772 1.00 8.31 C +ATOM 439 CG2 ILE A 390 13.155 22.833 3.436 1.00 7.99 C +ATOM 440 CD1 ILE A 390 11.186 22.199 5.602 1.00 11.74 C +ATOM 441 N ASN A 391 16.488 23.659 3.347 1.00 5.37 N +ATOM 442 CA ASN A 391 17.202 24.406 2.311 1.00 5.56 C +ATOM 443 C ASN A 391 17.968 25.593 2.877 1.00 5.61 C +ATOM 444 O ASN A 391 18.065 26.640 2.259 1.00 6.22 O +ATOM 445 CB ASN A 391 16.242 24.820 1.190 1.00 6.55 C +ATOM 446 CG ASN A 391 15.844 23.658 0.321 1.00 5.43 C +ATOM 447 OD1 ASN A 391 16.462 22.598 0.393 1.00 7.68 O +ATOM 448 ND2 ASN A 391 14.804 23.840 -0.499 1.00 9.08 N +ATOM 449 N GLY A 392 18.531 25.413 4.066 1.00 7.13 N +ATOM 450 CA GLY A 392 19.286 26.446 4.761 1.00 6.57 C +ATOM 451 C GLY A 392 18.476 27.481 5.496 1.00 6.87 C +ATOM 452 O GLY A 392 19.058 28.366 6.131 1.00 10.12 O +ATOM 453 N HIS A 393 17.151 27.403 5.379 1.00 5.84 N +ATOM 454 CA HIS A 393 16.246 28.308 6.057 1.00 6.38 C +ATOM 455 C HIS A 393 15.969 27.768 7.456 1.00 6.08 C +ATOM 456 O HIS A 393 15.431 26.677 7.615 1.00 7.61 O +ATOM 457 CB HIS A 393 14.923 28.422 5.291 1.00 7.41 C +ATOM 458 CG HIS A 393 15.059 28.970 3.905 1.00 9.29 C +ATOM 459 ND1 HIS A 393 14.673 30.244 3.565 1.00 15.26 N +ATOM 460 CD2 HIS A 393 15.508 28.403 2.762 1.00 11.08 C +ATOM 461 CE1 HIS A 393 14.916 30.455 2.284 1.00 15.78 C +ATOM 462 NE2 HIS A 393 15.439 29.353 1.773 1.00 10.90 N +ATOM 463 N ASP A 394 16.284 28.556 8.478 1.00 7.12 N +ATOM 464 CA ASP A 394 16.130 28.131 9.868 1.00 7.26 C +ATOM 465 C ASP A 394 14.659 27.919 10.218 1.00 7.26 C +ATOM 466 O ASP A 394 13.821 28.778 9.948 1.00 9.44 O +ATOM 467 CB ASP A 394 16.723 29.213 10.787 1.00 9.51 C +ATOM 468 CG ASP A 394 16.625 28.881 12.261 1.00 11.69 C +ATOM 469 OD1 ASP A 394 16.644 27.691 12.621 1.00 11.87 O +ATOM 470 OD2 ASP A 394 16.534 29.843 13.051 1.00 19.75 O +ATOM 471 N LEU A 395 14.365 26.784 10.844 1.00 6.81 N +ATOM 472 CA LEU A 395 13.042 26.461 11.358 1.00 7.03 C +ATOM 473 C LEU A 395 13.065 26.067 12.836 1.00 6.56 C +ATOM 474 O LEU A 395 12.072 25.571 13.367 1.00 7.03 O +ATOM 475 CB LEU A 395 12.435 25.351 10.511 1.00 8.04 C +ATOM 476 CG LEU A 395 11.842 25.803 9.173 1.00 9.58 C +ATOM 477 CD1 LEU A 395 11.547 24.580 8.318 1.00 14.23 C +ATOM 478 CD2 LEU A 395 10.558 26.562 9.377 1.00 11.51 C +ATOM 479 N LYS A 396 14.176 26.298 13.525 1.00 6.57 N +ATOM 480 CA LYS A 396 14.275 25.871 14.918 1.00 7.54 C +ATOM 481 C LYS A 396 13.103 26.393 15.750 1.00 6.86 C +ATOM 482 O LYS A 396 12.524 25.652 16.546 1.00 7.88 O +ATOM 483 CB LYS A 396 15.603 26.320 15.527 1.00 9.50 C +ATOM 484 CG LYS A 396 15.877 25.737 16.905 1.00 14.00 C +ATOM 485 CD LYS A 396 17.286 25.997 17.394 1.00 18.24 C +ATOM 486 CE LYS A 396 17.444 25.472 18.815 1.00 23.48 C +ATOM 487 N TYR A 397 12.751 27.663 15.566 1.00 7.48 N +ATOM 488 CA TYR A 397 11.624 28.256 16.273 1.00 8.17 C +ATOM 489 C TYR A 397 10.497 28.626 15.316 1.00 8.44 C +ATOM 490 O TYR A 397 9.719 29.543 15.565 1.00 11.33 O +ATOM 491 CB TYR A 397 12.093 29.470 17.089 1.00 11.09 C +ATOM 492 CG TYR A 397 13.152 29.097 18.092 1.00 11.97 C +ATOM 493 CD1 TYR A 397 12.812 28.444 19.262 1.00 14.21 C +ATOM 494 CD2 TYR A 397 14.501 29.305 17.825 1.00 15.02 C +ATOM 495 CE1 TYR A 397 13.775 28.061 20.178 1.00 17.55 C +ATOM 496 CE2 TYR A 397 15.471 28.924 18.736 1.00 20.96 C +ATOM 497 CZ TYR A 397 15.099 28.298 19.905 1.00 20.25 C +ATOM 498 OH TYR A 397 16.053 27.918 20.816 1.00 26.55 O +ATOM 499 N GLY A 398 10.391 27.868 14.226 1.00 7.80 N +ATOM 500 CA GLY A 398 9.456 28.141 13.163 1.00 8.27 C +ATOM 501 C GLY A 398 8.106 27.507 13.394 1.00 7.91 C +ATOM 502 O GLY A 398 7.804 27.015 14.472 1.00 7.59 O +ATOM 503 N THR A 399 7.300 27.515 12.346 1.00 9.49 N +ATOM 504 CA THR A 399 5.936 27.018 12.364 1.00 9.40 C +ATOM 505 C THR A 399 5.689 26.091 11.183 1.00 9.04 C +ATOM 506 O THR A 399 6.401 26.156 10.182 1.00 8.82 O +ATOM 507 CB THR A 399 4.949 28.188 12.187 1.00 9.92 C +ATOM 508 OG1 THR A 399 5.184 28.803 10.915 1.00 12.44 O +ATOM 509 CG2 THR A 399 5.102 29.213 13.287 1.00 13.80 C +ATOM 510 N PRO A 400 4.658 25.244 11.275 1.00 9.53 N +ATOM 511 CA PRO A 400 4.247 24.481 10.100 1.00 8.74 C +ATOM 512 C PRO A 400 3.988 25.364 8.877 1.00 9.67 C +ATOM 513 O PRO A 400 4.337 24.995 7.759 1.00 10.04 O +ATOM 514 CB PRO A 400 2.977 23.778 10.578 1.00 10.07 C +ATOM 515 CG PRO A 400 3.200 23.593 12.032 1.00 11.46 C +ATOM 516 CD PRO A 400 3.906 24.839 12.476 1.00 11.37 C +ATOM 517 N GLU A 401 3.394 26.533 9.096 1.00 9.78 N +ATOM 518 CA GLU A 401 3.116 27.444 8.001 1.00 11.62 C +ATOM 519 C GLU A 401 4.362 27.913 7.288 1.00 10.80 C +ATOM 520 O GLU A 401 4.391 27.980 6.050 1.00 13.59 O +ATOM 521 CB GLU A 401 2.371 28.680 8.504 1.00 15.78 C +ATOM 522 CG GLU A 401 0.939 28.454 8.841 1.00 22.69 C +ATOM 523 CD GLU A 401 0.730 27.530 10.025 1.00 38.18 C +ATOM 524 OE1 GLU A 401 1.509 27.567 11.019 1.00 30.10 O +ATOM 525 OE2 GLU A 401 -0.241 26.753 9.956 1.00 46.84 O +ATOM 526 N LEU A 402 5.377 28.283 8.060 1.00 10.10 N +ATOM 527 CA LEU A 402 6.635 28.728 7.469 1.00 10.16 C +ATOM 528 C LEU A 402 7.287 27.576 6.700 1.00 9.38 C +ATOM 529 O LEU A 402 7.778 27.764 5.595 1.00 10.31 O +ATOM 530 CB LEU A 402 7.557 29.283 8.549 1.00 13.39 C +ATOM 531 CG LEU A 402 8.913 29.806 8.085 1.00 13.91 C +ATOM 532 CD1 LEU A 402 8.763 30.875 7.002 1.00 16.82 C +ATOM 533 CD2 LEU A 402 9.710 30.307 9.286 1.00 16.06 C +ATOM 534 N ALA A 403 7.282 26.382 7.275 1.00 9.22 N +ATOM 535 CA ALA A 403 7.801 25.207 6.554 1.00 8.31 C +ATOM 536 C ALA A 403 7.056 24.999 5.230 1.00 8.63 C +ATOM 537 O ALA A 403 7.679 24.743 4.207 1.00 9.95 O +ATOM 538 CB ALA A 403 7.687 23.984 7.411 1.00 9.24 C +ATOM 539 N ALA A 404 5.729 25.125 5.262 1.00 9.56 N +ATOM 540 CA ALA A 404 4.901 24.975 4.076 1.00 10.82 C +ATOM 541 C ALA A 404 5.282 25.984 3.003 1.00 10.30 C +ATOM 542 O ALA A 404 5.370 25.639 1.841 1.00 11.75 O +ATOM 543 CB ALA A 404 3.435 25.119 4.431 1.00 12.69 C +ATOM 544 N GLN A 405 5.506 27.233 3.406 1.00 11.39 N +ATOM 545 CA GLN A 405 5.878 28.302 2.476 1.00 12.45 C +ATOM 546 C GLN A 405 7.207 27.962 1.806 1.00 12.12 C +ATOM 547 O GLN A 405 7.353 28.082 0.581 1.00 12.87 O +ATOM 548 CB GLN A 405 5.975 29.639 3.207 1.00 15.12 C +ATOM 549 CG GLN A 405 4.633 30.242 3.569 1.00 26.64 C +ATOM 550 CD GLN A 405 4.759 31.571 4.300 1.00 41.76 C +ATOM 551 OE1 GLN A 405 5.777 31.860 4.936 1.00 44.64 O +ATOM 552 NE2 GLN A 405 3.713 32.385 4.216 1.00 48.57 N +ATOM 553 N ILE A 406 8.179 27.518 2.597 1.00 10.78 N +ATOM 554 CA ILE A 406 9.494 27.153 2.059 1.00 11.01 C +ATOM 555 C ILE A 406 9.399 25.976 1.090 1.00 9.44 C +ATOM 556 O ILE A 406 9.934 26.028 -0.020 1.00 11.21 O +ATOM 557 CB ILE A 406 10.495 26.822 3.185 1.00 10.04 C +ATOM 558 CG1 ILE A 406 10.756 28.065 4.042 1.00 12.22 C +ATOM 559 CG2 ILE A 406 11.806 26.269 2.626 1.00 11.05 C +ATOM 560 CD1 ILE A 406 11.281 27.733 5.431 1.00 13.45 C +ATOM 561 N ILE A 407 8.672 24.931 1.481 1.00 9.74 N +ATOM 562 CA ILE A 407 8.569 23.728 0.661 1.00 9.95 C +ATOM 563 C ILE A 407 7.825 24.010 -0.644 1.00 11.91 C +ATOM 564 O ILE A 407 8.246 23.557 -1.726 1.00 13.89 O +ATOM 565 CB ILE A 407 7.907 22.592 1.429 1.00 10.93 C +ATOM 566 CG1 ILE A 407 8.843 22.115 2.522 1.00 10.18 C +ATOM 567 CG2 ILE A 407 7.582 21.426 0.509 1.00 12.72 C +ATOM 568 CD1 ILE A 407 8.119 21.328 3.647 1.00 13.36 C +ATOM 569 N GLN A 408 6.741 24.780 -0.564 1.00 12.93 N +ATOM 570 CA GLN A 408 5.961 25.074 -1.768 1.00 13.68 C +ATOM 571 C GLN A 408 6.746 25.917 -2.773 1.00 13.60 C +ATOM 572 O GLN A 408 6.574 25.734 -3.965 1.00 17.87 O +ATOM 573 CB GLN A 408 4.657 25.750 -1.402 1.00 16.16 C +ATOM 574 CG GLN A 408 3.669 24.773 -0.769 1.00 18.38 C +ATOM 575 CD GLN A 408 2.441 25.471 -0.235 1.00 26.27 C +ATOM 576 OE1 GLN A 408 2.313 26.691 -0.338 1.00 34.21 O +ATOM 577 NE2 GLN A 408 1.530 24.705 0.337 1.00 29.94 N +ATOM 578 N ALA A 409 7.609 26.812 -2.296 1.00 10.43 N +ATOM 579 CA ALA A 409 8.437 27.639 -3.166 1.00 11.32 C +ATOM 580 C ALA A 409 9.748 26.982 -3.584 1.00 11.10 C +ATOM 581 O ALA A 409 10.468 27.561 -4.377 1.00 13.90 O +ATOM 582 CB ALA A 409 8.707 28.987 -2.509 1.00 13.58 C +ATOM 583 N SER A 410 10.065 25.793 -3.059 1.00 9.06 N +ATOM 584 CA SER A 410 11.372 25.165 -3.256 1.00 9.49 C +ATOM 585 C SER A 410 11.592 24.786 -4.692 1.00 10.15 C +ATOM 586 O SER A 410 10.639 24.562 -5.437 1.00 14.75 O +ATOM 587 CB ASER A 410 11.469 23.906 -2.429 0.50 9.76 C +ATOM 588 CB BSER A 410 11.508 23.890 -2.388 0.50 10.54 C +ATOM 589 OG ASER A 410 10.601 22.959 -2.991 0.50 13.23 O +ATOM 590 OG BSER A 410 12.763 23.204 -2.554 0.50 9.51 O +ATOM 591 N GLY A 411 12.861 24.707 -5.079 1.00 7.78 N +ATOM 592 CA GLY A 411 13.221 24.044 -6.296 1.00 9.54 C +ATOM 593 C GLY A 411 13.129 22.543 -6.113 1.00 8.94 C +ATOM 594 O GLY A 411 12.615 22.045 -5.120 1.00 10.77 O +ATOM 595 N GLU A 412 13.674 21.791 -7.049 1.00 9.79 N +ATOM 596 CA GLU A 412 13.501 20.344 -7.016 1.00 9.89 C +ATOM 597 C GLU A 412 14.129 19.674 -5.794 1.00 9.48 C +ATOM 598 O GLU A 412 13.577 18.718 -5.290 1.00 11.29 O +ATOM 599 CB GLU A 412 13.953 19.685 -8.320 1.00 16.21 C +ATOM 600 CG GLU A 412 15.398 19.861 -8.639 1.00 16.42 C +ATOM 601 CD GLU A 412 16.323 18.856 -7.970 1.00 22.12 C +ATOM 602 OE1 GLU A 412 15.852 17.773 -7.589 1.00 22.98 O +ATOM 603 OE2 GLU A 412 17.531 19.158 -7.834 1.00 30.49 O +ATOM 604 N ARG A 413 15.251 20.178 -5.304 1.00 8.87 N +ATOM 605 CA ARG A 413 15.911 19.591 -4.148 1.00 8.68 C +ATOM 606 C ARG A 413 15.411 20.246 -2.878 1.00 8.11 C +ATOM 607 O ARG A 413 15.445 21.473 -2.722 1.00 9.37 O +ATOM 608 CB ARG A 413 17.430 19.716 -4.256 1.00 11.07 C +ATOM 609 CG ARG A 413 18.176 19.033 -3.108 1.00 13.32 C +ATOM 610 CD ARG A 413 19.682 19.112 -3.324 1.00 24.79 C +ATOM 611 NE ARG A 413 20.448 18.479 -2.245 1.00 27.84 N +ATOM 612 CZ ARG A 413 20.993 19.118 -1.207 1.00 36.19 C +ATOM 613 NH1 ARG A 413 20.863 20.433 -1.054 1.00 33.72 N +ATOM 614 NH2 ARG A 413 21.671 18.426 -0.295 1.00 41.41 N +ATOM 615 N VAL A 414 14.959 19.401 -1.963 1.00 6.86 N +ATOM 616 CA VAL A 414 14.513 19.835 -0.643 1.00 6.31 C +ATOM 617 C VAL A 414 15.382 19.116 0.383 1.00 6.33 C +ATOM 618 O VAL A 414 15.236 17.909 0.611 1.00 8.05 O +ATOM 619 CB VAL A 414 13.028 19.562 -0.396 1.00 7.85 C +ATOM 620 CG1 VAL A 414 12.610 20.149 0.932 1.00 9.26 C +ATOM 621 CG2 VAL A 414 12.177 20.137 -1.532 1.00 10.85 C +ATOM 622 N ASN A 415 16.280 19.870 0.997 1.00 5.57 N +ATOM 623 CA ASN A 415 17.158 19.331 2.032 1.00 5.84 C +ATOM 624 C ASN A 415 16.603 19.693 3.400 1.00 5.43 C +ATOM 625 O ASN A 415 16.397 20.860 3.676 1.00 9.69 O +ATOM 626 CB ASN A 415 18.579 19.900 1.896 1.00 8.13 C +ATOM 627 CG ASN A 415 19.516 19.209 2.822 1.00 12.01 C +ATOM 628 OD1 ASN A 415 19.750 18.001 2.675 1.00 16.43 O +ATOM 629 ND2 ASN A 415 19.968 19.910 3.861 1.00 16.19 N +ATOM 630 N LEU A 416 16.354 18.700 4.242 1.00 5.52 N +ATOM 631 CA LEU A 416 15.875 18.917 5.599 1.00 5.39 C +ATOM 632 C LEU A 416 16.980 18.565 6.561 1.00 5.82 C +ATOM 633 O LEU A 416 17.545 17.489 6.480 1.00 8.00 O +ATOM 634 CB LEU A 416 14.653 18.038 5.889 1.00 6.63 C +ATOM 635 CG LEU A 416 13.448 18.253 4.967 1.00 7.62 C +ATOM 636 CD1 LEU A 416 13.437 17.282 3.780 1.00 10.23 C +ATOM 637 CD2 LEU A 416 12.167 18.112 5.799 1.00 11.84 C +ATOM 638 N THR A 417 17.279 19.480 7.477 1.00 5.80 N +ATOM 639 CA THR A 417 18.161 19.195 8.594 1.00 5.83 C +ATOM 640 C THR A 417 17.285 18.858 9.778 1.00 5.81 C +ATOM 641 O THR A 417 16.420 19.644 10.181 1.00 6.34 O +ATOM 642 CB THR A 417 19.072 20.384 8.934 1.00 7.22 C +ATOM 643 OG1 THR A 417 19.806 20.767 7.757 1.00 11.03 O +ATOM 644 CG2 THR A 417 20.050 20.060 10.048 1.00 9.42 C +ATOM 645 N ILE A 418 17.508 17.664 10.320 1.00 4.76 N +ATOM 646 CA ILE A 418 16.683 17.063 11.339 1.00 6.86 C +ATOM 647 C ILE A 418 17.431 16.795 12.632 1.00 6.23 C +ATOM 648 O ILE A 418 18.594 16.410 12.577 1.00 6.95 O +ATOM 649 CB ILE A 418 16.266 15.653 10.761 1.00 14.19 C +ATOM 650 CG1 ILE A 418 15.517 15.810 9.448 1.00 13.77 C +ATOM 651 CG2 ILE A 418 15.551 14.836 11.763 1.00 17.42 C +ATOM 652 CD1 ILE A 418 14.351 16.566 9.612 1.00 10.45 C +ATOM 653 N ALA A 419 16.739 16.976 13.757 1.00 6.25 N +ATOM 654 CA ALA A 419 17.190 16.463 15.050 1.00 6.59 C +ATOM 655 C ALA A 419 16.266 15.319 15.464 1.00 6.81 C +ATOM 656 O ALA A 419 15.051 15.490 15.528 1.00 8.22 O +ATOM 657 CB ALA A 419 17.200 17.563 16.105 1.00 8.55 C +ATOM 658 N ARG A 420 16.864 14.166 15.753 1.00 7.51 N +ATOM 659 CA ARG A 420 16.141 12.966 16.135 1.00 8.14 C +ATOM 660 C ARG A 420 16.500 12.689 17.593 1.00 7.99 C +ATOM 661 O ARG A 420 17.564 12.158 17.886 1.00 8.23 O +ATOM 662 CB ARG A 420 16.548 11.809 15.238 1.00 8.42 C +ATOM 663 CG ARG A 420 15.882 10.496 15.579 1.00 9.40 C +ATOM 664 CD ARG A 420 16.088 9.500 14.466 1.00 10.06 C +ATOM 665 NE ARG A 420 15.444 9.990 13.256 1.00 8.90 N +ATOM 666 CZ ARG A 420 15.734 9.569 12.031 1.00 11.27 C +ATOM 667 NH1 ARG A 420 16.620 8.604 11.820 1.00 12.83 N +ATOM 668 NH2 ARG A 420 15.145 10.122 11.007 1.00 11.16 N +ATOM 669 N PRO A 421 15.638 13.098 18.531 1.00 10.73 N +ATOM 670 CA PRO A 421 16.030 12.918 19.925 1.00 10.69 C +ATOM 671 C PRO A 421 15.854 11.499 20.425 1.00 10.66 C +ATOM 672 O PRO A 421 15.081 10.700 19.871 1.00 14.66 O +ATOM 673 CB PRO A 421 15.102 13.869 20.685 1.00 14.27 C +ATOM 674 CG PRO A 421 14.609 14.838 19.670 1.00 18.94 C +ATOM 675 CD PRO A 421 14.509 14.034 18.416 1.00 14.24 C +ATOM 676 N GLY A 422 16.590 11.193 21.476 1.00 10.65 N +ATOM 677 CA GLY A 422 16.292 10.059 22.300 1.00 14.39 C +ATOM 678 C GLY A 422 16.821 8.730 21.823 1.00 12.94 C +ATOM 679 O GLY A 422 17.450 8.599 20.778 1.00 16.65 O +ATOM 680 N LYS A 423 16.595 7.725 22.648 1.00 13.32 N +ATOM 681 CA LYS A 423 17.063 6.385 22.376 1.00 11.77 C +ATOM 682 C LYS A 423 16.058 5.637 21.500 1.00 10.89 C +ATOM 683 O LYS A 423 14.853 5.785 21.671 1.00 14.13 O +ATOM 684 CB LYS A 423 17.224 5.631 23.701 1.00 13.46 C +ATOM 685 CG LYS A 423 18.208 6.274 24.672 1.00 15.32 C +ATOM 686 CD LYS A 423 18.301 5.467 25.954 1.00 14.96 C +ATOM 687 CE LYS A 423 19.261 6.115 26.964 1.00 15.66 C +ATOM 688 NZ LYS A 423 19.404 5.284 28.187 1.00 22.41 N +ATOM 689 N PRO A 424 16.552 4.802 20.591 1.00 9.91 N +ATOM 690 CA PRO A 424 15.651 4.023 19.745 1.00 12.24 C +ATOM 691 C PRO A 424 15.025 2.841 20.462 1.00 9.07 C +ATOM 692 O PRO A 424 14.020 2.324 20.007 1.00 9.13 O +ATOM 693 CB PRO A 424 16.556 3.534 18.608 1.00 15.51 C +ATOM 694 CG PRO A 424 17.917 3.641 19.116 1.00 15.26 C +ATOM 695 CD PRO A 424 17.936 4.756 20.099 1.00 12.95 C +ATOM 696 N GLU A 425 15.643 2.418 21.560 1.00 7.37 N +ATOM 697 CA GLU A 425 15.206 1.255 22.324 1.00 7.95 C +ATOM 698 C GLU A 425 15.405 1.564 23.788 1.00 8.05 C +ATOM 699 O GLU A 425 16.476 2.010 24.200 1.00 9.27 O +ATOM 700 CB GLU A 425 16.009 -0.003 21.975 1.00 10.27 C +ATOM 701 CG GLU A 425 15.660 -1.161 22.901 1.00 14.89 C +ATOM 702 CD GLU A 425 16.260 -2.480 22.466 1.00 18.63 C +ATOM 703 OE1 GLU A 425 17.066 -2.497 21.502 1.00 29.25 O +ATOM 704 OE2 GLU A 425 15.921 -3.515 23.099 1.00 20.57 O +ATOM 705 N ILE A 426 14.387 1.273 24.590 1.00 8.17 N +ATOM 706 CA ILE A 426 14.469 1.437 26.046 1.00 8.79 C +ATOM 707 C ILE A 426 13.839 0.215 26.685 1.00 8.69 C +ATOM 708 O ILE A 426 12.716 -0.158 26.382 1.00 8.14 O +ATOM 709 CB ILE A 426 13.775 2.735 26.554 1.00 9.36 C +ATOM 710 CG1 ILE A 426 14.392 3.978 25.905 1.00 12.22 C +ATOM 711 CG2 ILE A 426 13.850 2.873 28.091 1.00 13.41 C +ATOM 712 CD1 ILE A 426 13.736 5.273 26.334 1.00 14.74 C +ATOM 713 N GLU A 427 14.587 -0.408 27.588 1.00 8.99 N +ATOM 714 CA GLU A 427 14.057 -1.493 28.389 1.00 8.22 C +ATOM 715 C GLU A 427 13.584 -0.886 29.689 1.00 8.96 C +ATOM 716 O GLU A 427 14.327 -0.151 30.370 1.00 11.67 O +ATOM 717 CB GLU A 427 15.122 -2.569 28.575 1.00 11.04 C +ATOM 718 CG GLU A 427 15.738 -2.924 27.220 1.00 16.67 C +ATOM 719 CD GLU A 427 16.767 -4.011 27.276 1.00 16.35 C +ATOM 720 OE1 GLU A 427 16.762 -4.808 28.236 1.00 19.51 O +ATOM 721 OE2 GLU A 427 17.608 -4.048 26.330 1.00 22.62 O +ATOM 722 N LEU A 428 12.324 -1.163 30.007 1.00 11.21 N +ATOM 723 CA LEU A 428 11.677 -0.524 31.139 1.00 14.71 C +ATOM 724 C LEU A 428 10.696 -1.450 31.825 1.00 17.18 C +ATOM 725 O LEU A 428 10.717 -2.674 31.585 1.00 14.01 O +ATOM 726 CB LEU A 428 10.988 0.768 30.675 1.00 20.18 C +ATOM 727 CG LEU A 428 10.244 0.748 29.337 1.00 20.27 C +ATOM 728 CD1 LEU A 428 9.020 -0.139 29.452 1.00 23.09 C +ATOM 729 CD2 LEU A 428 9.858 2.172 28.859 1.00 23.60 C +ATOM 730 OXT LEU A 428 9.915 -0.965 32.662 1.00 21.45 O Added: SwiftApps/modFTdock/input/2x57-2.pdb =================================================================== --- SwiftApps/modFTdock/input/2x57-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/2x57-2.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,808 @@ +ATOM 1 N GLY A -13 -0.278 5.309 -44.149 1.00 46.30 N +ATOM 2 CA GLY A -13 0.017 3.883 -44.495 1.00 49.33 C +ATOM 3 C GLY A -13 1.199 3.281 -43.741 1.00 47.87 C +ATOM 4 O GLY A -13 1.024 2.382 -42.911 1.00 41.12 O +ATOM 5 N VAL A -12 2.396 3.797 -44.030 1.00 47.05 N +ATOM 6 CA VAL A -12 3.675 3.297 -43.466 1.00 46.24 C +ATOM 7 C VAL A -12 3.679 3.103 -41.930 1.00 40.42 C +ATOM 8 O VAL A -12 4.267 2.147 -41.428 1.00 33.91 O +ATOM 9 CB VAL A -12 4.866 4.232 -43.864 1.00 47.04 C +ATOM 10 CG1 VAL A -12 6.193 3.667 -43.382 1.00 40.49 C +ATOM 11 CG2 VAL A -12 4.895 4.450 -45.376 1.00 51.30 C +ATOM 12 N ASP A -11 3.052 4.024 -41.203 1.00 34.11 N +ATOM 13 CA ASP A -11 2.790 3.835 -39.784 1.00 41.60 C +ATOM 14 C ASP A -11 1.952 2.565 -39.515 1.00 40.09 C +ATOM 15 O ASP A -11 2.284 1.758 -38.639 1.00 33.46 O +ATOM 16 CB ASP A -11 2.097 5.068 -39.195 1.00 42.86 C +ATOM 17 CG ASP A -11 3.065 6.172 -38.904 1.00 51.98 C +ATOM 18 OD1 ASP A -11 3.322 6.427 -37.703 1.00 51.57 O +ATOM 19 OD2 ASP A -11 3.601 6.749 -39.879 1.00 63.93 O +ATOM 20 N LEU A -10 0.900 2.389 -40.307 1.00 39.59 N +ATOM 21 CA LEU A -10 -0.007 1.250 -40.179 1.00 40.34 C +ATOM 22 C LEU A -10 0.511 -0.003 -40.924 1.00 35.30 C +ATOM 23 O LEU A -10 -0.173 -1.031 -40.918 1.00 34.02 O +ATOM 24 CB LEU A -10 -1.398 1.632 -40.720 1.00 43.73 C +ATOM 25 CG LEU A -10 -2.033 2.960 -40.258 1.00 52.62 C +ATOM 26 CD1 LEU A -10 -3.018 3.506 -41.309 1.00 51.94 C +ATOM 27 CD2 LEU A -10 -2.710 2.810 -38.908 1.00 46.99 C +ATOM 28 N GLY A -9 1.682 0.092 -41.582 1.00 23.68 N +ATOM 29 CA GLY A -9 2.348 -1.069 -42.200 1.00 17.29 C +ATOM 30 C GLY A -9 2.649 -2.105 -41.128 1.00 13.22 C +ATOM 31 O GLY A -9 2.925 -1.729 -39.989 1.00 10.50 O +ATOM 32 N THR A -8 2.558 -3.410 -41.450 1.00 10.36 N +ATOM 33 CA THR A -8 2.569 -4.415 -40.392 1.00 5.66 C +ATOM 34 C THR A -8 3.945 -4.612 -39.750 1.00 7.66 C +ATOM 35 O THR A -8 4.026 -4.999 -38.610 1.00 7.69 O +ATOM 36 CB THR A -8 1.969 -5.765 -40.818 1.00 9.78 C +ATOM 37 OG1 THR A -8 2.501 -6.129 -42.083 1.00 8.41 O +ATOM 38 CG2 THR A -8 0.411 -5.670 -40.919 1.00 11.97 C +ATOM 39 N GLU A -7 5.016 -4.317 -40.475 1.00 7.37 N +ATOM 40 CA GLU A -7 6.350 -4.412 -39.923 1.00 7.33 C +ATOM 41 C GLU A -7 6.538 -3.375 -38.817 1.00 7.90 C +ATOM 42 O GLU A -7 7.045 -3.676 -37.720 1.00 12.10 O +ATOM 43 CB GLU A -7 7.343 -4.245 -41.074 1.00 11.31 C +ATOM 44 CG GLU A -7 8.641 -4.895 -40.838 1.00 24.11 C +ATOM 45 CD GLU A -7 9.630 -4.745 -42.001 1.00 20.81 C +ATOM 46 OE1 GLU A -7 9.272 -4.316 -43.115 1.00 10.83 O +ATOM 47 OE2 GLU A -7 10.800 -5.034 -41.756 1.00 17.84 O +ATOM 48 N ASN A -6 6.073 -2.159 -39.071 1.00 3.75 N +ATOM 49 CA ASN A -6 6.085 -1.127 -38.054 1.00 3.33 C +ATOM 50 C ASN A -6 5.128 -1.424 -36.958 1.00 3.21 C +ATOM 51 O ASN A -6 5.441 -1.217 -35.777 1.00 7.56 O +ATOM 52 CB ASN A -6 5.775 0.237 -38.641 1.00 5.17 C +ATOM 53 CG ASN A -6 5.884 1.314 -37.638 1.00 11.05 C +ATOM 54 OD1 ASN A -6 6.918 1.484 -36.991 1.00 5.98 O +ATOM 55 ND2 ASN A -6 4.792 2.029 -37.446 1.00 2.49 N +ATOM 56 N LEU A -5 3.988 -1.964 -37.286 1.00 6.09 N +ATOM 57 CA LEU A -5 3.058 -2.338 -36.191 1.00 9.29 C +ATOM 58 C LEU A -5 3.707 -3.385 -35.268 1.00 10.87 C +ATOM 59 O LEU A -5 3.681 -3.244 -34.046 1.00 10.42 O +ATOM 60 CB LEU A -5 1.685 -2.773 -36.712 1.00 14.27 C +ATOM 61 CG LEU A -5 0.774 -1.652 -37.292 1.00 34.07 C +ATOM 62 CD1 LEU A -5 -0.559 -2.208 -37.841 1.00 26.06 C +ATOM 63 CD2 LEU A -5 0.479 -0.507 -36.275 1.00 27.70 C +ATOM 64 N TYR A -4 4.392 -4.367 -35.842 1.00 15.17 N +ATOM 65 CA TYR A -4 5.123 -5.360 -35.028 1.00 15.98 C +ATOM 66 C TYR A -4 6.123 -4.669 -34.072 1.00 20.12 C +ATOM 67 O TYR A -4 6.125 -4.913 -32.849 1.00 13.58 O +ATOM 68 CB TYR A -4 5.836 -6.352 -35.987 1.00 18.61 C +ATOM 69 CG TYR A -4 6.860 -7.339 -35.371 1.00 23.03 C +ATOM 70 CD1 TYR A -4 6.515 -8.633 -35.087 1.00 28.59 C +ATOM 71 CD2 TYR A -4 8.186 -6.985 -35.203 1.00 38.85 C +ATOM 72 CE1 TYR A -4 7.434 -9.546 -34.603 1.00 24.30 C +ATOM 73 CE2 TYR A -4 9.106 -7.890 -34.703 1.00 35.20 C +ATOM 74 CZ TYR A -4 8.715 -9.182 -34.403 1.00 39.96 C +ATOM 75 OH TYR A -4 9.614 -10.121 -33.901 1.00 47.86 O +ATOM 76 N PHE A -3 6.984 -3.816 -34.643 1.00 14.76 N +ATOM 77 CA PHE A -3 8.000 -3.086 -33.840 1.00 15.04 C +ATOM 78 C PHE A -3 7.407 -2.222 -32.741 1.00 16.72 C +ATOM 79 O PHE A -3 7.898 -2.251 -31.607 1.00 16.47 O +ATOM 80 CB PHE A -3 8.902 -2.229 -34.729 1.00 8.47 C +ATOM 81 CG PHE A -3 9.780 -1.277 -33.970 1.00 10.08 C +ATOM 82 CD1 PHE A -3 10.908 -1.717 -33.351 1.00 17.24 C +ATOM 83 CD2 PHE A -3 9.468 0.043 -33.872 1.00 11.02 C +ATOM 84 CE1 PHE A -3 11.667 -0.881 -32.666 1.00 12.28 C +ATOM 85 CE2 PHE A -3 10.258 0.873 -33.202 1.00 12.91 C +ATOM 86 CZ PHE A -3 11.361 0.412 -32.622 1.00 11.28 C +ATOM 87 N GLN A -2 6.364 -1.459 -33.059 1.00 10.99 N +ATOM 88 CA GLN A -2 5.817 -0.481 -32.110 1.00 12.75 C +ATOM 89 C GLN A -2 5.269 -1.222 -30.903 1.00 16.69 C +ATOM 90 O GLN A -2 5.422 -0.772 -29.771 1.00 16.44 O +ATOM 91 CB GLN A -2 4.708 0.352 -32.738 1.00 14.43 C +ATOM 92 CG GLN A -2 5.197 1.264 -33.904 1.00 8.99 C +ATOM 93 CD GLN A -2 6.133 2.414 -33.457 1.00 12.09 C +ATOM 94 OE1 GLN A -2 6.067 2.865 -32.311 1.00 12.96 O +ATOM 95 NE2 GLN A -2 6.935 2.928 -34.384 1.00 9.97 N +ATOM 96 N SER A -1 4.653 -2.371 -31.158 1.00 15.80 N +ATOM 97 CA SER A -1 4.095 -3.218 -30.106 1.00 20.64 C +ATOM 98 C SER A -1 5.186 -3.850 -29.280 1.00 20.68 C +ATOM 99 O SER A -1 4.914 -4.365 -28.243 1.00 26.46 O +ATOM 100 CB ASER A -1 3.212 -4.316 -30.697 0.50 20.67 C +ATOM 101 CB BSER A -1 3.233 -4.329 -30.705 0.50 21.04 C +ATOM 102 OG ASER A -1 3.998 -5.332 -31.291 0.50 20.78 O +ATOM 103 OG BSER A -1 2.213 -3.805 -31.531 0.50 25.11 O +ATOM 112 N ARG A 26 8.171 -2.184 -28.453 1.00 17.38 N +ATOM 113 CA ARG A 26 9.063 -1.171 -27.945 1.00 17.25 C +ATOM 114 C ARG A 26 9.200 -1.245 -26.426 1.00 20.69 C +ATOM 115 O ARG A 26 10.297 -1.181 -25.935 1.00 16.87 O +ATOM 116 CB ARG A 26 8.592 0.209 -28.362 1.00 17.13 C +ATOM 117 CG ARG A 26 8.979 0.590 -29.777 1.00 12.54 C +ATOM 118 CD ARG A 26 8.321 1.899 -30.189 1.00 14.01 C +ATOM 119 NE ARG A 26 8.807 3.043 -29.434 1.00 15.79 N +ATOM 120 CZ ARG A 26 8.314 4.276 -29.551 1.00 18.07 C +ATOM 121 NH1 ARG A 26 7.337 4.550 -30.407 1.00 17.32 N +ATOM 122 NH2 ARG A 26 8.789 5.245 -28.814 1.00 18.45 N +ATOM 123 N PHE A 27 8.109 -1.356 -25.684 1.00 20.10 N +ATOM 124 CA PHE A 27 8.249 -1.416 -24.211 1.00 24.12 C +ATOM 125 C PHE A 27 9.094 -2.623 -23.803 1.00 20.69 C +ATOM 126 O PHE A 27 10.016 -2.510 -23.016 1.00 19.29 O +ATOM 127 CB PHE A 27 6.890 -1.426 -23.486 1.00 30.72 C +ATOM 128 CG PHE A 27 6.047 -0.144 -23.676 1.00 35.97 C +ATOM 129 CD1 PHE A 27 6.634 1.114 -23.866 1.00 49.14 C +ATOM 130 CD2 PHE A 27 4.646 -0.206 -23.636 1.00 56.64 C +ATOM 131 CE1 PHE A 27 5.839 2.273 -24.031 1.00 41.10 C +ATOM 132 CE2 PHE A 27 3.858 0.944 -23.793 1.00 55.11 C +ATOM 133 CZ PHE A 27 4.464 2.183 -23.991 1.00 56.94 C +ATOM 134 N HIS A 28 8.819 -3.758 -24.401 1.00 16.20 N +ATOM 135 CA HIS A 28 9.563 -4.964 -24.134 1.00 19.05 C +ATOM 136 C HIS A 28 11.058 -4.854 -24.459 1.00 26.76 C +ATOM 137 O HIS A 28 11.924 -5.289 -23.701 1.00 24.01 O +ATOM 138 CB HIS A 28 8.935 -6.142 -24.873 1.00 19.43 C +ATOM 139 CG HIS A 28 9.853 -7.310 -25.033 1.00 22.17 C +ATOM 140 ND1 HIS A 28 10.034 -8.265 -24.057 1.00 33.70 N +ATOM 141 CD2 HIS A 28 10.665 -7.667 -26.061 1.00 40.14 C +ATOM 142 CE1 HIS A 28 10.914 -9.159 -24.471 1.00 44.82 C +ATOM 143 NE2 HIS A 28 11.322 -8.813 -25.681 1.00 36.98 N +ATOM 144 N LEU A 29 11.387 -4.255 -25.583 1.00 20.02 N +ATOM 145 CA LEU A 29 12.770 -4.103 -25.914 1.00 17.58 C +ATOM 146 C LEU A 29 13.447 -3.165 -24.893 1.00 18.70 C +ATOM 147 O LEU A 29 14.565 -3.401 -24.500 1.00 17.84 O +ATOM 148 CB LEU A 29 12.894 -3.547 -27.341 1.00 20.67 C +ATOM 149 CG LEU A 29 12.455 -4.477 -28.513 1.00 20.84 C +ATOM 150 CD1 LEU A 29 12.253 -3.656 -29.807 1.00 22.81 C +ATOM 151 CD2 LEU A 29 13.476 -5.617 -28.766 1.00 21.53 C +ATOM 152 N GLU A 30 12.759 -2.099 -24.488 1.00 14.45 N +ATOM 153 CA GLU A 30 13.342 -1.121 -23.603 1.00 19.22 C +ATOM 154 C GLU A 30 13.555 -1.707 -22.203 1.00 21.59 C +ATOM 155 O GLU A 30 14.604 -1.493 -21.582 1.00 16.61 O +ATOM 156 CB GLU A 30 12.445 0.109 -23.515 1.00 23.31 C +ATOM 157 CG GLU A 30 12.506 1.029 -24.742 1.00 21.69 C +ATOM 158 CD GLU A 30 11.591 2.186 -24.593 1.00 24.15 C +ATOM 159 OE1 GLU A 30 11.842 3.031 -23.711 1.00 25.81 O +ATOM 160 OE2 GLU A 30 10.583 2.244 -25.314 1.00 27.66 O +ATOM 161 N ILE A 31 12.564 -2.444 -21.716 1.00 17.77 N +ATOM 162 CA ILE A 31 12.670 -3.067 -20.399 1.00 22.42 C +ATOM 163 C ILE A 31 13.756 -4.140 -20.399 1.00 17.84 C +ATOM 164 O ILE A 31 14.528 -4.239 -19.473 1.00 20.73 O +ATOM 165 CB ILE A 31 11.299 -3.560 -19.867 1.00 26.55 C +ATOM 166 CG1 ILE A 31 10.395 -2.339 -19.591 1.00 25.99 C +ATOM 167 CG2 ILE A 31 11.471 -4.414 -18.562 1.00 19.16 C +ATOM 168 CD1 ILE A 31 8.883 -2.645 -19.432 1.00 25.29 C +ATOM 169 N GLN A 32 13.835 -4.933 -21.444 1.00 21.75 N +ATOM 170 CA GLN A 32 14.851 -5.953 -21.512 1.00 15.01 C +ATOM 171 C GLN A 32 16.229 -5.351 -21.479 1.00 16.38 C +ATOM 172 O GLN A 32 17.112 -5.885 -20.811 1.00 18.10 O +ATOM 173 CB GLN A 32 14.620 -6.862 -22.737 1.00 21.57 C +ATOM 174 CG GLN A 32 15.681 -7.951 -22.975 1.00 37.93 C +ATOM 175 CD GLN A 32 15.401 -8.794 -24.232 1.00 53.33 C +ATOM 176 OE1 GLN A 32 15.601 -8.349 -25.361 1.00 47.95 O +ATOM 177 NE2 GLN A 32 14.932 -10.005 -24.028 1.00 32.36 N +ATOM 178 N GLU A 33 16.456 -4.241 -22.183 1.00 16.71 N +ATOM 179 CA GLU A 33 17.781 -3.589 -22.132 1.00 17.89 C +ATOM 180 C GLU A 33 18.060 -3.064 -20.750 1.00 14.73 C +ATOM 181 O GLU A 33 19.198 -3.107 -20.285 1.00 13.77 O +ATOM 182 CB GLU A 33 17.933 -2.418 -23.158 1.00 18.47 C +ATOM 183 CG AGLU A 33 19.283 -1.762 -23.170 0.50 27.89 C +ATOM 184 CG BGLU A 33 19.225 -1.589 -22.945 0.50 28.36 C +ATOM 185 CD AGLU A 33 20.436 -2.723 -23.537 0.50 30.46 C +ATOM 186 CD BGLU A 33 19.662 -0.669 -24.109 0.50 42.26 C +ATOM 187 OE1AGLU A 33 20.231 -3.737 -24.267 0.50 21.12 O +ATOM 188 OE1BGLU A 33 19.933 0.532 -23.857 0.50 23.68 O +ATOM 189 OE2AGLU A 33 21.571 -2.451 -23.077 0.50 43.93 O +ATOM 190 OE2BGLU A 33 19.802 -1.148 -25.254 0.50 39.70 O +ATOM 191 N GLU A 34 17.044 -2.550 -20.071 1.00 15.55 N +ATOM 192 CA GLU A 34 17.250 -2.029 -18.694 1.00 18.15 C +ATOM 193 C GLU A 34 17.561 -3.166 -17.682 1.00 12.76 C +ATOM 194 O GLU A 34 18.427 -3.045 -16.809 1.00 15.87 O +ATOM 195 CB GLU A 34 16.018 -1.247 -18.249 1.00 18.50 C +ATOM 196 CG GLU A 34 16.308 0.020 -17.498 1.00 42.96 C +ATOM 197 CD GLU A 34 17.371 0.920 -18.128 1.00 49.72 C +ATOM 198 OE1 GLU A 34 17.199 1.397 -19.277 1.00 55.18 O +ATOM 199 OE2 GLU A 34 18.381 1.148 -17.436 1.00 42.69 O +ATOM 200 N GLU A 35 16.887 -4.280 -17.843 1.00 13.11 N +ATOM 201 CA GLU A 35 17.185 -5.477 -17.058 1.00 13.21 C +ATOM 202 C GLU A 35 18.565 -6.014 -17.346 1.00 16.43 C +ATOM 203 O GLU A 35 19.276 -6.437 -16.423 1.00 15.20 O +ATOM 204 CB GLU A 35 16.162 -6.529 -17.364 1.00 14.65 C +ATOM 205 CG GLU A 35 14.823 -6.279 -16.751 1.00 17.86 C +ATOM 206 CD GLU A 35 13.770 -7.331 -17.200 1.00 28.46 C +ATOM 207 OE1 GLU A 35 13.705 -7.659 -18.410 1.00 44.17 O +ATOM 208 OE2 GLU A 35 13.030 -7.831 -16.360 1.00 48.62 O +ATOM 209 N THR A 36 18.972 -5.957 -18.617 1.00 11.34 N +ATOM 210 CA THR A 36 20.267 -6.427 -19.001 1.00 10.76 C +ATOM 211 C THR A 36 21.315 -5.564 -18.386 1.00 8.59 C +ATOM 212 O THR A 36 22.305 -6.058 -17.870 1.00 13.18 O +ATOM 213 CB THR A 36 20.455 -6.470 -20.539 1.00 15.46 C +ATOM 214 OG1 THR A 36 19.534 -7.410 -21.100 1.00 17.00 O +ATOM 215 CG2 THR A 36 21.909 -6.811 -20.944 1.00 11.53 C +ATOM 216 N LYS A 37 21.120 -4.268 -18.410 1.00 14.12 N +ATOM 217 CA LYS A 37 22.094 -3.383 -17.768 1.00 13.96 C +ATOM 218 C LYS A 37 22.159 -3.623 -16.252 1.00 13.92 C +ATOM 219 O LYS A 37 23.234 -3.586 -15.660 1.00 11.52 O +ATOM 220 CB LYS A 37 21.756 -1.916 -18.048 1.00 23.91 C +ATOM 221 CG LYS A 37 22.064 -1.447 -19.477 1.00 31.14 C +ATOM 222 CD LYS A 37 21.585 -0.002 -19.676 1.00 46.36 C +ATOM 223 CE LYS A 37 21.848 0.493 -21.092 1.00 58.24 C +ATOM 224 NZ LYS A 37 20.877 1.557 -21.467 1.00 64.75 N +ATOM 225 N CYS A 38 21.004 -3.884 -15.639 1.00 10.09 N +ATOM 226 CA CYS A 38 20.956 -4.191 -14.225 1.00 11.29 C +ATOM 227 C CYS A 38 21.711 -5.458 -13.939 1.00 10.25 C +ATOM 228 O CYS A 38 22.567 -5.468 -13.057 1.00 13.82 O +ATOM 229 CB CYS A 38 19.505 -4.313 -13.733 1.00 17.38 C +ATOM 230 SG CYS A 38 19.365 -4.354 -11.943 1.00 12.04 S +ATOM 231 N ALA A 39 21.466 -6.513 -14.714 1.00 8.48 N +ATOM 232 CA ALA A 39 22.206 -7.756 -14.491 1.00 9.70 C +ATOM 233 C ALA A 39 23.716 -7.501 -14.612 1.00 11.39 C +ATOM 234 O ALA A 39 24.486 -8.006 -13.833 1.00 6.90 O +ATOM 235 CB ALA A 39 21.790 -8.802 -15.492 1.00 5.61 C +ATOM 236 N GLU A 40 24.143 -6.714 -15.600 1.00 11.37 N +ATOM 237 CA GLU A 40 25.583 -6.455 -15.787 1.00 15.04 C +ATOM 238 C GLU A 40 26.128 -5.650 -14.620 1.00 13.67 C +ATOM 239 O GLU A 40 27.225 -5.909 -14.157 1.00 16.05 O +ATOM 240 CB GLU A 40 25.874 -5.720 -17.104 1.00 15.09 C +ATOM 241 CG GLU A 40 25.430 -6.455 -18.396 1.00 19.88 C +ATOM 242 CD GLU A 40 26.312 -7.635 -18.779 1.00 36.68 C +ATOM 243 OE1 GLU A 40 27.304 -7.919 -18.074 1.00 38.71 O +ATOM 244 OE2 GLU A 40 26.009 -8.296 -19.798 1.00 33.49 O +ATOM 245 N LEU A 41 25.349 -4.691 -14.118 1.00 14.81 N +ATOM 246 CA LEU A 41 25.797 -3.891 -12.974 1.00 12.76 C +ATOM 247 C LEU A 41 25.994 -4.778 -11.740 1.00 17.13 C +ATOM 248 O LEU A 41 27.023 -4.693 -11.062 1.00 15.66 O +ATOM 249 CB LEU A 41 24.787 -2.792 -12.641 1.00 15.21 C +ATOM 250 CG LEU A 41 25.179 -1.797 -11.526 1.00 25.07 C +ATOM 251 CD1 LEU A 41 26.427 -0.985 -11.905 1.00 22.69 C +ATOM 252 CD2 LEU A 41 24.031 -0.859 -11.194 1.00 19.56 C +ATOM 253 N LEU A 42 25.009 -5.618 -11.441 1.00 12.27 N +ATOM 254 CA LEU A 42 25.100 -6.462 -10.268 1.00 12.88 C +ATOM 255 C LEU A 42 26.273 -7.401 -10.374 1.00 13.78 C +ATOM 256 O LEU A 42 26.987 -7.648 -9.395 1.00 18.10 O +ATOM 257 CB LEU A 42 23.815 -7.262 -10.048 1.00 12.29 C +ATOM 258 CG LEU A 42 22.525 -6.438 -9.905 1.00 21.11 C +ATOM 259 CD1 LEU A 42 21.407 -7.219 -9.245 1.00 14.31 C +ATOM 260 CD2 LEU A 42 22.786 -5.163 -9.168 1.00 17.94 C +ATOM 261 N ARG A 43 26.477 -7.930 -11.568 1.00 17.08 N +ATOM 262 CA ARG A 43 27.566 -8.863 -11.782 1.00 16.64 C +ATOM 263 C ARG A 43 28.959 -8.244 -11.563 1.00 21.46 C +ATOM 264 O ARG A 43 29.828 -8.890 -11.013 1.00 19.47 O +ATOM 265 CB ARG A 43 27.485 -9.462 -13.189 1.00 13.55 C +ATOM 266 CG ARG A 43 28.431 -10.648 -13.393 1.00 19.68 C +ATOM 267 CD ARG A 43 28.099 -11.806 -12.449 1.00 21.49 C +ATOM 268 NE ARG A 43 26.789 -12.384 -12.749 1.00 25.59 N +ATOM 269 CZ ARG A 43 26.120 -13.226 -11.965 1.00 34.11 C +ATOM 270 NH1 ARG A 43 26.612 -13.620 -10.794 1.00 50.00 N +ATOM 271 NH2 ARG A 43 24.939 -13.679 -12.373 1.00 32.67 N +ATOM 272 N SER A 44 29.151 -7.004 -12.007 1.00 25.38 N +ATOM 273 CA SER A 44 30.443 -6.319 -11.926 1.00 27.10 C +ATOM 274 C SER A 44 30.777 -5.950 -10.503 1.00 24.93 C +ATOM 275 O SER A 44 31.877 -5.523 -10.220 1.00 33.07 O +ATOM 276 CB SER A 44 30.417 -5.032 -12.760 1.00 26.34 C +ATOM 277 OG SER A 44 29.600 -4.036 -12.135 1.00 28.62 O +ATOM 278 N GLN A 45 29.805 -6.107 -9.618 1.00 32.26 N +ATOM 279 CA GLN A 45 29.896 -5.641 -8.248 1.00 39.01 C +ATOM 280 C GLN A 45 29.881 -6.790 -7.229 1.00 46.17 C +ATOM 281 O GLN A 45 29.941 -6.526 -6.022 1.00 47.59 O +ATOM 282 CB GLN A 45 28.700 -4.715 -7.985 1.00 39.60 C +ATOM 283 CG GLN A 45 28.946 -3.616 -6.960 1.00 56.97 C +ATOM 284 CD GLN A 45 28.494 -2.240 -7.433 1.00 71.63 C +ATOM 285 OE1 GLN A 45 27.694 -2.110 -8.365 1.00 58.85 O +ATOM 286 NE2 GLN A 45 29.023 -1.202 -6.793 1.00 70.04 N +ATOM 287 N THR A 46 29.819 -8.048 -7.696 1.00 52.43 N +ATOM 288 CA THR A 46 29.517 -9.206 -6.805 1.00 56.65 C +ATOM 289 C THR A 46 30.603 -9.561 -5.781 1.00 56.93 C +ATOM 290 O THR A 46 30.360 -10.385 -4.893 1.00 57.58 O +ATOM 291 CB THR A 46 29.129 -10.524 -7.585 1.00 57.25 C +ATOM 292 OG1 THR A 46 29.843 -10.605 -8.823 1.00 58.88 O +ATOM 293 CG2 THR A 46 27.627 -10.592 -7.847 1.00 54.66 C +ATOM 294 N GLU A 47 31.778 -8.939 -5.889 1.00 57.87 N +ATOM 295 CA GLU A 47 32.880 -9.193 -4.951 1.00 57.79 C +ATOM 296 C GLU A 47 32.971 -8.149 -3.817 1.00 55.59 C +ATOM 297 O GLU A 47 34.027 -8.014 -3.186 1.00 56.49 O +ATOM 298 CB GLU A 47 34.203 -9.282 -5.727 1.00 56.95 C +ATOM 299 CG GLU A 47 34.168 -10.310 -6.865 1.00 59.45 C +ATOM 300 CD GLU A 47 35.393 -10.247 -7.763 1.00 65.19 C +ATOM 301 OE1 GLU A 47 36.527 -10.304 -7.241 1.00 57.63 O +ATOM 302 OE2 GLU A 47 35.219 -10.149 -8.997 1.00 74.39 O +ATOM 303 N LYS A 48 31.867 -7.439 -3.549 1.00 52.28 N +ATOM 304 CA LYS A 48 31.802 -6.432 -2.468 1.00 53.13 C +ATOM 305 C LYS A 48 30.996 -6.876 -1.224 1.00 52.70 C +ATOM 306 O LYS A 48 31.341 -6.491 -0.101 1.00 51.14 O +ATOM 307 CB LYS A 48 31.261 -5.096 -3.003 1.00 54.33 C +ATOM 308 CG LYS A 48 32.320 -4.188 -3.636 1.00 55.84 C +ATOM 309 CD LYS A 48 32.789 -4.722 -4.977 1.00 59.21 C +ATOM 310 CE LYS A 48 33.645 -3.710 -5.715 1.00 62.17 C +ATOM 311 NZ LYS A 48 33.812 -4.086 -7.140 1.00 59.11 N +ATOM 312 N HIS A 49 29.939 -7.671 -1.433 1.00 51.39 N +ATOM 313 CA HIS A 49 29.115 -8.266 -0.345 1.00 51.58 C +ATOM 314 C HIS A 49 28.386 -7.251 0.556 1.00 48.80 C +ATOM 315 O HIS A 49 28.430 -7.364 1.783 1.00 51.22 O +ATOM 316 CB HIS A 49 29.946 -9.213 0.541 1.00 53.52 C +ATOM 317 CG HIS A 49 30.845 -10.133 -0.222 1.00 65.39 C +ATOM 318 ND1 HIS A 49 30.432 -10.815 -1.347 1.00 69.68 N +ATOM 319 CD2 HIS A 49 32.136 -10.492 -0.015 1.00 63.48 C +ATOM 320 CE1 HIS A 49 31.433 -11.546 -1.807 1.00 66.45 C +ATOM 321 NE2 HIS A 49 32.477 -11.370 -1.016 1.00 74.82 N +ATOM 322 N LYS A 50 27.687 -6.292 -0.051 1.00 43.19 N +ATOM 323 CA LYS A 50 27.037 -5.201 0.698 1.00 37.14 C +ATOM 324 C LYS A 50 25.756 -5.621 1.466 1.00 32.78 C +ATOM 325 O LYS A 50 25.152 -6.658 1.182 1.00 33.93 O +ATOM 326 CB LYS A 50 26.763 -4.016 -0.245 1.00 36.20 C +ATOM 327 CG LYS A 50 28.048 -3.422 -0.843 1.00 38.27 C +ATOM 328 CD LYS A 50 27.891 -1.970 -1.300 1.00 36.98 C +ATOM 329 CE LYS A 50 29.178 -1.461 -1.947 1.00 45.70 C +ATOM 330 NZ LYS A 50 28.919 -0.790 -3.251 1.00 44.81 N +ATOM 331 N ALA A 51 25.358 -4.808 2.444 1.00 25.95 N +ATOM 332 CA ALA A 51 24.207 -5.127 3.311 1.00 26.30 C +ATOM 333 C ALA A 51 22.977 -5.477 2.500 1.00 25.93 C +ATOM 334 O ALA A 51 22.351 -6.509 2.718 1.00 27.51 O +ATOM 335 CB ALA A 51 23.887 -3.947 4.248 1.00 21.58 C +ATOM 336 N CYS A 52 22.654 -4.592 1.559 1.00 25.77 N +ATOM 337 CA CYS A 52 21.519 -4.748 0.668 1.00 22.86 C +ATOM 338 C CYS A 52 22.048 -5.006 -0.727 1.00 22.40 C +ATOM 339 O CYS A 52 22.537 -4.075 -1.390 1.00 23.41 O +ATOM 340 CB CYS A 52 20.696 -3.461 0.631 1.00 22.07 C +ATOM 341 SG CYS A 52 19.921 -2.945 2.152 1.00 24.90 S +ATOM 342 N SER A 53 21.940 -6.247 -1.198 1.00 19.12 N +ATOM 343 CA SER A 53 22.403 -6.562 -2.548 1.00 20.68 C +ATOM 344 C SER A 53 21.418 -6.044 -3.595 1.00 21.65 C +ATOM 345 O SER A 53 20.284 -5.657 -3.288 1.00 19.30 O +ATOM 346 CB SER A 53 22.657 -8.056 -2.731 1.00 26.03 C +ATOM 347 OG SER A 53 21.563 -8.811 -2.281 1.00 37.61 O +ATOM 348 N GLY A 54 21.881 -6.007 -4.830 1.00 17.73 N +ATOM 349 CA GLY A 54 21.132 -5.390 -5.900 1.00 16.56 C +ATOM 350 C GLY A 54 19.808 -6.093 -6.111 1.00 13.02 C +ATOM 351 O GLY A 54 19.726 -7.313 -6.040 1.00 15.06 O +ATOM 352 N VAL A 55 18.773 -5.310 -6.373 1.00 11.96 N +ATOM 353 CA VAL A 55 17.464 -5.864 -6.684 1.00 12.81 C +ATOM 354 C VAL A 55 16.841 -5.102 -7.810 1.00 16.34 C +ATOM 355 O VAL A 55 17.244 -3.976 -8.105 1.00 15.81 O +ATOM 356 CB VAL A 55 16.554 -5.822 -5.451 1.00 17.35 C +ATOM 357 CG1 VAL A 55 17.156 -6.680 -4.324 1.00 13.68 C +ATOM 358 CG2 VAL A 55 16.323 -4.373 -4.979 1.00 9.80 C +ATOM 359 N TRP A 56 15.876 -5.747 -8.448 1.00 16.25 N +ATOM 360 CA TRP A 56 15.056 -5.152 -9.502 1.00 16.79 C +ATOM 361 C TRP A 56 13.610 -5.075 -8.945 1.00 16.93 C +ATOM 362 O TRP A 56 13.041 -6.096 -8.540 1.00 13.08 O +ATOM 363 CB TRP A 56 15.115 -6.052 -10.744 1.00 14.22 C +ATOM 364 CG TRP A 56 14.200 -5.664 -11.864 1.00 10.77 C +ATOM 365 CD1 TRP A 56 12.941 -6.159 -12.112 1.00 12.12 C +ATOM 366 CD2 TRP A 56 14.467 -4.713 -12.909 1.00 12.97 C +ATOM 367 NE1 TRP A 56 12.407 -5.536 -13.192 1.00 13.76 N +ATOM 368 CE2 TRP A 56 13.325 -4.660 -13.717 1.00 16.47 C +ATOM 369 CE3 TRP A 56 15.563 -3.919 -13.239 1.00 18.45 C +ATOM 370 CZ2 TRP A 56 13.246 -3.847 -14.836 1.00 19.08 C +ATOM 371 CZ3 TRP A 56 15.484 -3.101 -14.343 1.00 15.16 C +ATOM 372 CH2 TRP A 56 14.325 -3.068 -15.133 1.00 11.82 C +ATOM 373 N ASP A 57 13.063 -3.868 -8.866 1.00 13.77 N +ATOM 374 CA ASP A 57 11.737 -3.646 -8.302 1.00 16.11 C +ATOM 375 C ASP A 57 11.151 -2.407 -8.953 1.00 15.80 C +ATOM 376 O ASP A 57 11.881 -1.460 -9.216 1.00 16.33 O +ATOM 377 CB ASP A 57 11.874 -3.413 -6.810 1.00 21.77 C +ATOM 378 CG ASP A 57 10.577 -3.594 -6.047 1.00 18.32 C +ATOM 379 OD1 ASP A 57 9.744 -4.450 -6.421 1.00 29.29 O +ATOM 380 OD2 ASP A 57 10.438 -2.906 -5.018 1.00 32.63 O +ATOM 381 N ASN A 58 9.835 -2.389 -9.169 1.00 12.94 N +ATOM 382 CA ASN A 58 9.179 -1.272 -9.806 1.00 13.94 C +ATOM 383 C ASN A 58 9.895 -0.928 -11.118 1.00 18.64 C +ATOM 384 O ASN A 58 10.215 0.227 -11.405 1.00 15.71 O +ATOM 385 CB ASN A 58 9.092 -0.071 -8.839 1.00 16.60 C +ATOM 386 CG ASN A 58 8.254 -0.365 -7.590 1.00 21.23 C +ATOM 387 OD1 ASN A 58 8.642 -0.009 -6.477 1.00 24.37 O +ATOM 388 ND2 ASN A 58 7.118 -1.044 -7.766 1.00 16.90 N +ATOM 389 N ILE A 59 10.194 -1.970 -11.901 1.00 19.80 N +ATOM 390 CA ILE A 59 10.835 -1.828 -13.192 1.00 14.97 C +ATOM 391 C ILE A 59 12.089 -0.974 -13.161 1.00 16.42 C +ATOM 392 O ILE A 59 12.357 -0.194 -14.084 1.00 19.04 O +ATOM 393 CB ILE A 59 9.861 -1.231 -14.262 1.00 21.97 C +ATOM 394 CG1 ILE A 59 8.406 -1.619 -14.037 1.00 37.23 C +ATOM 395 CG2 ILE A 59 10.212 -1.738 -15.608 1.00 29.91 C +ATOM 396 CD1 ILE A 59 8.086 -3.009 -14.452 1.00 48.85 C +ATOM 397 N THR A 60 12.868 -1.129 -12.112 1.00 15.60 N +ATOM 398 CA THR A 60 13.964 -0.262 -11.820 1.00 16.33 C +ATOM 399 C THR A 60 15.084 -1.081 -11.175 1.00 16.12 C +ATOM 400 O THR A 60 14.848 -1.973 -10.370 1.00 13.05 O +ATOM 401 CB THR A 60 13.511 0.853 -10.828 1.00 15.56 C +ATOM 402 OG1 THR A 60 12.555 1.674 -11.471 1.00 18.71 O +ATOM 403 CG2 THR A 60 14.665 1.732 -10.383 1.00 14.47 C +ATOM 404 N CYS A 61 16.318 -0.746 -11.516 1.00 14.00 N +ATOM 405 CA CYS A 61 17.481 -1.378 -10.910 1.00 14.34 C +ATOM 406 C CYS A 61 17.902 -0.606 -9.676 1.00 13.50 C +ATOM 407 O CYS A 61 18.074 0.597 -9.759 1.00 17.71 O +ATOM 408 CB CYS A 61 18.656 -1.379 -11.906 1.00 18.93 C +ATOM 409 SG CYS A 61 20.065 -2.413 -11.407 1.00 19.39 S +ATOM 410 N TRP A 62 18.156 -1.305 -8.566 1.00 10.32 N +ATOM 411 CA TRP A 62 18.524 -0.689 -7.333 1.00 13.39 C +ATOM 412 C TRP A 62 19.911 -1.224 -7.032 1.00 15.32 C +ATOM 413 O TRP A 62 20.071 -2.377 -6.630 1.00 16.94 O +ATOM 414 CB TRP A 62 17.508 -1.036 -6.213 1.00 12.26 C +ATOM 415 CG TRP A 62 16.120 -0.588 -6.568 1.00 13.32 C +ATOM 416 CD1 TRP A 62 15.164 -1.315 -7.192 1.00 16.70 C +ATOM 417 CD2 TRP A 62 15.574 0.715 -6.392 1.00 10.29 C +ATOM 418 NE1 TRP A 62 14.050 -0.559 -7.410 1.00 10.43 N +ATOM 419 CE2 TRP A 62 14.287 0.703 -6.939 1.00 10.96 C +ATOM 420 CE3 TRP A 62 16.073 1.907 -5.871 1.00 13.81 C +ATOM 421 CZ2 TRP A 62 13.477 1.824 -6.951 1.00 16.76 C +ATOM 422 CZ3 TRP A 62 15.261 3.030 -5.871 1.00 14.28 C +ATOM 423 CH2 TRP A 62 13.981 2.983 -6.407 1.00 19.62 C +ATOM 424 N ARG A 63 20.917 -0.373 -7.208 1.00 14.58 N +ATOM 425 CA ARG A 63 22.300 -0.777 -6.979 1.00 17.95 C +ATOM 426 C ARG A 63 22.515 -1.279 -5.565 1.00 19.01 C +ATOM 427 O ARG A 63 21.823 -0.842 -4.654 1.00 20.68 O +ATOM 428 CB ARG A 63 23.249 0.390 -7.249 1.00 19.85 C +ATOM 429 CG ARG A 63 23.027 1.598 -6.321 1.00 27.03 C +ATOM 430 CD ARG A 63 24.158 2.602 -6.458 1.00 31.85 C +ATOM 431 NE ARG A 63 24.047 3.681 -5.477 1.00 26.51 N +ATOM 432 CZ ARG A 63 24.411 3.585 -4.204 1.00 29.06 C +ATOM 433 NH1 ARG A 63 24.912 2.451 -3.717 1.00 28.56 N +ATOM 434 NH2 ARG A 63 24.269 4.635 -3.400 1.00 33.56 N +ATOM 435 N PRO A 64 23.508 -2.172 -5.364 1.00 22.14 N +ATOM 436 CA PRO A 64 23.827 -2.627 -4.012 1.00 18.31 C +ATOM 437 C PRO A 64 24.218 -1.462 -3.097 1.00 19.29 C +ATOM 438 O PRO A 64 24.724 -0.435 -3.561 1.00 22.54 O +ATOM 439 CB PRO A 64 25.022 -3.564 -4.220 1.00 20.79 C +ATOM 440 CG PRO A 64 25.051 -3.892 -5.654 1.00 23.24 C +ATOM 441 CD PRO A 64 24.415 -2.749 -6.374 1.00 25.73 C +ATOM 442 N ALA A 65 23.983 -1.620 -1.815 1.00 19.62 N +ATOM 443 CA ALA A 65 24.051 -0.492 -0.900 1.00 24.00 C +ATOM 444 C ALA A 65 24.302 -0.952 0.526 1.00 23.14 C +ATOM 445 O ALA A 65 24.050 -2.109 0.867 1.00 22.51 O +ATOM 446 CB ALA A 65 22.734 0.321 -0.958 1.00 20.58 C +ATOM 447 N ASN A 66 24.762 -0.018 1.354 1.00 26.45 N +ATOM 448 CA ASN A 66 25.041 -0.273 2.760 1.00 27.20 C +ATOM 449 C ASN A 66 24.028 0.445 3.628 1.00 26.66 C +ATOM 450 O ASN A 66 23.392 1.408 3.190 1.00 28.54 O +ATOM 451 CB ASN A 66 26.446 0.228 3.099 1.00 29.95 C +ATOM 452 CG ASN A 66 27.492 -0.298 2.134 1.00 33.77 C +ATOM 453 OD1 ASN A 66 27.659 -1.512 1.995 1.00 31.72 O +ATOM 454 ND2 ASN A 66 28.210 0.609 1.458 1.00 27.11 N +ATOM 455 N VAL A 67 23.892 -0.026 4.862 1.00 26.42 N +ATOM 456 CA VAL A 67 22.939 0.537 5.809 1.00 28.43 C +ATOM 457 C VAL A 67 23.087 2.059 5.876 1.00 27.58 C +ATOM 458 O VAL A 67 24.194 2.580 5.811 1.00 28.79 O +ATOM 459 CB VAL A 67 23.101 -0.089 7.201 1.00 26.86 C +ATOM 460 CG1 VAL A 67 22.813 -1.591 7.146 1.00 28.25 C +ATOM 461 CG2 VAL A 67 24.495 0.160 7.733 1.00 43.81 C +ATOM 462 N GLY A 68 21.957 2.765 5.926 1.00 24.56 N +ATOM 463 CA GLY A 68 21.943 4.230 5.995 1.00 22.53 C +ATOM 464 C GLY A 68 21.923 4.915 4.639 1.00 25.82 C +ATOM 465 O GLY A 68 21.700 6.123 4.561 1.00 25.99 O +ATOM 466 N GLU A 69 22.153 4.165 3.563 1.00 25.46 N +ATOM 467 CA GLU A 69 22.125 4.757 2.236 1.00 23.48 C +ATOM 468 C GLU A 69 20.693 4.878 1.746 1.00 19.81 C +ATOM 469 O GLU A 69 19.843 4.067 2.082 1.00 22.85 O +ATOM 470 CB GLU A 69 22.913 3.913 1.242 1.00 25.80 C +ATOM 471 CG GLU A 69 24.423 3.957 1.399 1.00 25.27 C +ATOM 472 CD GLU A 69 25.068 3.433 0.139 1.00 25.83 C +ATOM 473 OE1 GLU A 69 25.325 4.243 -0.778 1.00 31.51 O +ATOM 474 OE2 GLU A 69 25.247 2.199 0.030 1.00 27.06 O +ATOM 475 N THR A 70 20.448 5.900 0.944 1.00 20.53 N +ATOM 476 CA THR A 70 19.212 6.054 0.208 1.00 20.93 C +ATOM 477 C THR A 70 19.595 6.120 -1.250 1.00 23.34 C +ATOM 478 O THR A 70 20.430 6.943 -1.627 1.00 24.22 O +ATOM 479 CB THR A 70 18.502 7.350 0.597 1.00 24.57 C +ATOM 480 OG1 THR A 70 18.121 7.264 1.964 1.00 24.82 O +ATOM 481 CG2 THR A 70 17.260 7.602 -0.255 1.00 20.37 C +ATOM 482 N VAL A 71 19.011 5.235 -2.056 1.00 19.98 N +ATOM 483 CA VAL A 71 19.242 5.212 -3.483 1.00 16.17 C +ATOM 484 C VAL A 71 18.032 5.873 -4.135 1.00 17.78 C +ATOM 485 O VAL A 71 16.895 5.485 -3.877 1.00 17.46 O +ATOM 486 CB VAL A 71 19.387 3.771 -3.984 1.00 18.82 C +ATOM 487 CG1 VAL A 71 19.489 3.729 -5.507 1.00 17.98 C +ATOM 488 CG2 VAL A 71 20.610 3.113 -3.319 1.00 18.25 C +ATOM 489 N THR A 72 18.285 6.862 -4.978 1.00 17.90 N +ATOM 490 CA THR A 72 17.231 7.613 -5.652 1.00 17.79 C +ATOM 491 C THR A 72 17.525 7.625 -7.126 1.00 19.33 C +ATOM 492 O THR A 72 18.634 7.997 -7.521 1.00 26.95 O +ATOM 493 CB THR A 72 17.221 9.068 -5.179 1.00 21.45 C +ATOM 494 OG1 THR A 72 16.983 9.107 -3.771 1.00 19.30 O +ATOM 495 CG2 THR A 72 16.147 9.876 -5.901 1.00 28.60 C +ATOM 496 N VAL A 73 16.544 7.238 -7.940 1.00 20.34 N +ATOM 497 CA VAL A 73 16.695 7.219 -9.392 1.00 20.22 C +ATOM 498 C VAL A 73 15.485 7.821 -10.073 1.00 24.66 C +ATOM 499 O VAL A 73 14.399 7.895 -9.494 1.00 22.56 O +ATOM 500 CB VAL A 73 16.871 5.795 -9.941 1.00 27.06 C +ATOM 501 CG1 VAL A 73 18.109 5.132 -9.308 1.00 27.62 C +ATOM 502 CG2 VAL A 73 15.642 4.976 -9.710 1.00 22.23 C +ATOM 503 N PRO A 74 15.663 8.254 -11.328 1.00 25.90 N +ATOM 504 CA PRO A 74 14.509 8.808 -12.019 1.00 23.59 C +ATOM 505 C PRO A 74 13.483 7.727 -12.282 1.00 23.01 C +ATOM 506 O PRO A 74 13.814 6.556 -12.307 1.00 24.45 O +ATOM 507 CB PRO A 74 15.103 9.361 -13.332 1.00 27.01 C +ATOM 508 CG PRO A 74 16.506 8.860 -13.389 1.00 32.02 C +ATOM 509 CD PRO A 74 16.934 8.550 -12.021 1.00 26.53 C +ATOM 510 N CYS A 75 12.243 8.127 -12.462 1.00 21.76 N +ATOM 511 CA CYS A 75 11.211 7.197 -12.812 1.00 24.72 C +ATOM 512 C CYS A 75 11.557 6.500 -14.132 1.00 24.43 C +ATOM 513 O CYS A 75 12.287 7.041 -14.957 1.00 26.56 O +ATOM 514 CB CYS A 75 9.875 7.912 -12.942 1.00 26.62 C +ATOM 515 SG CYS A 75 9.133 8.355 -11.354 1.00 26.94 S +ATOM 516 N PRO A 76 11.081 5.274 -14.322 1.00 20.88 N +ATOM 517 CA PRO A 76 11.545 4.540 -15.511 1.00 22.92 C +ATOM 518 C PRO A 76 11.163 5.263 -16.799 1.00 26.60 C +ATOM 519 O PRO A 76 10.004 5.586 -16.988 1.00 25.74 O +ATOM 520 CB PRO A 76 10.773 3.222 -15.423 1.00 29.79 C +ATOM 521 CG PRO A 76 10.360 3.082 -14.028 1.00 27.28 C +ATOM 522 CD PRO A 76 10.390 4.418 -13.367 1.00 23.82 C +ATOM 523 N LYS A 77 12.113 5.504 -17.685 1.00 23.10 N +ATOM 524 CA LYS A 77 11.821 6.342 -18.853 1.00 30.14 C +ATOM 525 C LYS A 77 10.881 5.663 -19.850 1.00 22.99 C +ATOM 526 O LYS A 77 10.179 6.338 -20.581 1.00 28.32 O +ATOM 527 CB LYS A 77 13.092 6.846 -19.540 1.00 36.49 C +ATOM 528 CG LYS A 77 14.046 5.781 -20.051 1.00 47.69 C +ATOM 529 CD LYS A 77 15.386 6.413 -20.520 1.00 68.53 C +ATOM 530 CE LYS A 77 16.464 5.359 -20.830 1.00 78.60 C +ATOM 531 NZ LYS A 77 16.914 4.605 -19.609 1.00 85.86 N +ATOM 532 N VAL A 78 10.793 4.343 -19.809 1.00 21.66 N +ATOM 533 CA VAL A 78 9.963 3.607 -20.742 1.00 15.13 C +ATOM 534 C VAL A 78 8.515 4.077 -20.731 1.00 21.51 C +ATOM 535 O VAL A 78 7.866 4.036 -21.762 1.00 26.29 O +ATOM 536 CB VAL A 78 10.013 2.096 -20.517 1.00 26.67 C +ATOM 537 CG1 VAL A 78 9.403 1.743 -19.178 1.00 29.93 C +ATOM 538 CG2 VAL A 78 9.270 1.385 -21.639 1.00 25.80 C +ATOM 539 N PHE A 79 8.014 4.549 -19.599 1.00 20.11 N +ATOM 540 CA PHE A 79 6.626 5.055 -19.531 1.00 27.31 C +ATOM 541 C PHE A 79 6.513 6.608 -19.581 1.00 26.77 C +ATOM 542 O PHE A 79 5.523 7.182 -19.137 1.00 27.78 O +ATOM 543 CB PHE A 79 5.901 4.505 -18.277 1.00 29.11 C +ATOM 544 CG PHE A 79 5.750 2.991 -18.263 1.00 35.07 C +ATOM 545 CD1 PHE A 79 5.326 2.303 -19.393 1.00 31.14 C +ATOM 546 CD2 PHE A 79 6.022 2.265 -17.111 1.00 38.85 C +ATOM 547 CE1 PHE A 79 5.204 0.918 -19.386 1.00 47.96 C +ATOM 548 CE2 PHE A 79 5.889 0.896 -17.094 1.00 43.53 C +ATOM 549 CZ PHE A 79 5.489 0.219 -18.236 1.00 43.07 C +ATOM 550 N SER A 80 7.516 7.261 -20.146 1.00 28.05 N +ATOM 551 CA SER A 80 7.562 8.722 -20.257 1.00 33.46 C +ATOM 552 C SER A 80 6.296 9.366 -20.813 1.00 28.89 C +ATOM 553 O SER A 80 5.920 10.439 -20.361 1.00 30.86 O +ATOM 554 CB SER A 80 8.758 9.134 -21.113 1.00 35.97 C +ATOM 555 OG SER A 80 9.957 8.715 -20.479 1.00 46.85 O +ATOM 556 N ASN A 81 5.610 8.705 -21.742 1.00 30.10 N +ATOM 557 CA ASN A 81 4.391 9.300 -22.346 1.00 37.71 C +ATOM 558 C ASN A 81 3.161 9.286 -21.451 1.00 36.75 C +ATOM 559 O ASN A 81 2.164 9.927 -21.774 1.00 31.78 O +ATOM 560 CB ASN A 81 4.053 8.645 -23.695 1.00 41.27 C +ATOM 561 CG ASN A 81 4.936 9.159 -24.817 1.00 47.14 C +ATOM 562 OD1 ASN A 81 5.004 10.361 -25.057 1.00 66.91 O +ATOM 563 ND2 ASN A 81 5.646 8.253 -25.481 1.00 55.84 N +ATOM 564 N PHE A 82 3.239 8.567 -20.334 1.00 34.01 N +ATOM 565 CA PHE A 82 2.131 8.444 -19.404 1.00 30.73 C +ATOM 566 C PHE A 82 2.391 9.178 -18.103 1.00 28.94 C +ATOM 567 O PHE A 82 1.579 9.066 -17.191 1.00 27.01 O +ATOM 568 CB PHE A 82 1.888 6.967 -19.078 1.00 31.78 C +ATOM 569 CG PHE A 82 1.667 6.101 -20.286 1.00 40.55 C +ATOM 570 CD1 PHE A 82 0.391 5.948 -20.826 1.00 50.63 C +ATOM 571 CD2 PHE A 82 2.723 5.421 -20.866 1.00 41.13 C +ATOM 572 CE1 PHE A 82 0.181 5.138 -21.935 1.00 62.31 C +ATOM 573 CE2 PHE A 82 2.524 4.606 -21.974 1.00 49.43 C +ATOM 574 CZ PHE A 82 1.251 4.464 -22.510 1.00 58.96 C +ATOM 575 N TYR A 83 3.527 9.875 -17.986 1.00 32.63 N +ATOM 576 CA TYR A 83 3.824 10.692 -16.791 1.00 32.11 C +ATOM 577 C TYR A 83 3.332 12.121 -16.952 1.00 34.46 C +ATOM 578 O TYR A 83 3.408 12.663 -18.042 1.00 36.53 O +ATOM 579 CB TYR A 83 5.330 10.754 -16.524 1.00 34.04 C +ATOM 580 CG TYR A 83 5.988 9.412 -16.285 1.00 37.93 C +ATOM 581 CD1 TYR A 83 5.308 8.364 -15.628 1.00 25.77 C +ATOM 582 CD2 TYR A 83 7.315 9.202 -16.665 1.00 40.78 C +ATOM 583 CE1 TYR A 83 5.940 7.135 -15.389 1.00 16.55 C +ATOM 584 CE2 TYR A 83 7.946 7.978 -16.441 1.00 33.96 C +ATOM 585 CZ TYR A 83 7.251 6.942 -15.805 1.00 26.76 C +ATOM 586 OH TYR A 83 7.866 5.712 -15.607 1.00 24.27 O +ATOM 587 N SER A 84 2.856 12.738 -15.869 1.00 31.71 N +ATOM 588 CA SER A 84 2.519 14.165 -15.897 1.00 38.06 C +ATOM 589 C SER A 84 3.639 15.069 -15.329 1.00 44.52 C +ATOM 590 O SER A 84 3.441 16.272 -15.156 1.00 46.20 O +ATOM 591 CB SER A 84 1.187 14.408 -15.163 1.00 38.10 C +ATOM 592 OG SER A 84 1.149 13.715 -13.930 1.00 27.30 O +ATOM 593 N LYS A 85 4.813 14.493 -15.058 1.00 50.22 N +ATOM 594 CA LYS A 85 5.938 15.223 -14.446 1.00 50.93 C +ATOM 595 C LYS A 85 7.202 14.359 -14.421 1.00 49.29 C +ATOM 596 O LYS A 85 7.125 13.126 -14.480 1.00 49.35 O +ATOM 597 CB LYS A 85 5.595 15.639 -13.004 1.00 54.85 C +ATOM 598 CG LYS A 85 5.243 14.461 -12.079 1.00 52.53 C +ATOM 599 CD LYS A 85 5.110 14.916 -10.633 1.00 58.92 C +ATOM 600 CE LYS A 85 4.856 13.739 -9.702 1.00 50.10 C +ATOM 601 NZ LYS A 85 5.111 14.105 -8.281 1.00 42.93 N +ATOM 602 N ALA A 86 8.361 15.004 -14.339 1.00 45.94 N +ATOM 603 CA ALA A 86 9.618 14.283 -14.182 1.00 42.39 C +ATOM 604 C ALA A 86 9.692 13.948 -12.721 1.00 36.89 C +ATOM 605 O ALA A 86 9.662 14.840 -11.910 1.00 37.57 O +ATOM 606 CB ALA A 86 10.810 15.145 -14.587 1.00 43.07 C +ATOM 607 N GLY A 87 9.763 12.664 -12.383 1.00 33.51 N +ATOM 608 CA GLY A 87 9.739 12.242 -10.994 1.00 27.02 C +ATOM 609 C GLY A 87 10.911 11.353 -10.703 1.00 22.11 C +ATOM 610 O GLY A 87 11.531 10.833 -11.625 1.00 22.38 O +ATOM 611 N ASN A 88 11.174 11.159 -9.412 1.00 17.98 N +ATOM 612 CA ASN A 88 12.177 10.215 -8.930 1.00 23.21 C +ATOM 613 C ASN A 88 11.573 9.266 -7.884 1.00 19.18 C +ATOM 614 O ASN A 88 10.607 9.606 -7.246 1.00 21.07 O +ATOM 615 CB ASN A 88 13.351 10.969 -8.326 1.00 24.42 C +ATOM 616 CG ASN A 88 14.002 11.923 -9.323 1.00 19.77 C +ATOM 617 OD1 ASN A 88 14.671 11.507 -10.255 1.00 22.94 O +ATOM 618 ND2 ASN A 88 13.800 13.196 -9.119 1.00 23.89 N +ATOM 619 N ILE A 89 12.164 8.085 -7.740 1.00 16.29 N +ATOM 620 CA ILE A 89 11.786 7.087 -6.753 1.00 15.89 C +ATOM 621 C ILE A 89 13.021 6.658 -5.978 1.00 14.55 C +ATOM 622 O ILE A 89 14.146 6.711 -6.502 1.00 16.79 O +ATOM 623 CB ILE A 89 11.085 5.870 -7.370 1.00 18.31 C +ATOM 624 CG1 ILE A 89 11.826 5.336 -8.611 1.00 20.38 C +ATOM 625 CG2 ILE A 89 9.648 6.245 -7.728 1.00 19.43 C +ATOM 626 CD1 ILE A 89 11.212 4.083 -9.204 1.00 23.32 C +ATOM 627 N SER A 90 12.797 6.259 -4.726 1.00 11.96 N +ATOM 628 CA SER A 90 13.848 5.978 -3.790 1.00 16.83 C +ATOM 629 C SER A 90 13.589 4.703 -3.001 1.00 11.79 C +ATOM 630 O SER A 90 12.470 4.260 -2.876 1.00 15.33 O +ATOM 631 CB SER A 90 13.995 7.143 -2.779 1.00 18.87 C +ATOM 632 OG SER A 90 14.327 8.376 -3.411 1.00 24.21 O +ATOM 633 N LYS A 91 14.665 4.143 -2.464 1.00 15.48 N +ATOM 634 CA LYS A 91 14.638 3.115 -1.431 1.00 17.71 C +ATOM 635 C LYS A 91 15.742 3.415 -0.435 1.00 18.74 C +ATOM 636 O LYS A 91 16.815 3.899 -0.814 1.00 18.63 O +ATOM 637 CB LYS A 91 14.925 1.731 -2.009 1.00 14.59 C +ATOM 638 CG LYS A 91 13.784 1.116 -2.786 1.00 12.65 C +ATOM 639 CD LYS A 91 14.094 -0.329 -3.055 1.00 18.73 C +ATOM 640 CE LYS A 91 13.133 -0.932 -4.010 1.00 13.58 C +ATOM 641 NZ LYS A 91 11.808 -1.100 -3.351 1.00 7.51 N +ATOM 642 N ASN A 92 15.481 3.091 0.823 1.00 15.50 N +ATOM 643 CA ASN A 92 16.480 3.139 1.854 1.00 18.52 C +ATOM 644 C ASN A 92 16.960 1.736 2.160 1.00 16.96 C +ATOM 645 O ASN A 92 16.172 0.806 2.237 1.00 19.37 O +ATOM 646 CB ASN A 92 15.909 3.750 3.146 1.00 24.03 C +ATOM 647 CG ASN A 92 15.496 5.201 2.989 1.00 31.50 C +ATOM 648 OD1 ASN A 92 16.192 5.993 2.346 1.00 33.19 O +ATOM 649 ND2 ASN A 92 14.359 5.561 3.588 1.00 30.69 N +ATOM 650 N CYS A 93 18.266 1.599 2.356 1.00 16.34 N +ATOM 651 CA CYS A 93 18.863 0.355 2.847 1.00 17.29 C +ATOM 652 C CYS A 93 18.994 0.475 4.337 1.00 19.32 C +ATOM 653 O CYS A 93 19.615 1.425 4.846 1.00 19.95 O +ATOM 654 CB CYS A 93 20.233 0.118 2.224 1.00 18.23 C +ATOM 655 SG CYS A 93 21.091 -1.377 2.770 1.00 21.62 S +ATOM 656 N THR A 94 18.373 -0.487 5.027 1.00 24.32 N +ATOM 657 CA THR A 94 18.424 -0.601 6.485 1.00 24.52 C +ATOM 658 C THR A 94 19.030 -1.959 6.870 1.00 27.84 C +ATOM 659 O THR A 94 19.165 -2.851 6.013 1.00 28.93 O +ATOM 660 CB THR A 94 17.000 -0.576 7.079 1.00 25.68 C +ATOM 661 OG1 THR A 94 16.270 -1.714 6.579 1.00 24.22 O +ATOM 662 CG2 THR A 94 16.271 0.738 6.715 1.00 22.27 C +ATOM 663 N SER A 95 19.329 -2.146 8.161 1.00 24.96 N +ATOM 664 CA SER A 95 19.857 -3.429 8.619 1.00 26.62 C +ATOM 665 C SER A 95 18.836 -4.584 8.532 1.00 28.79 C +ATOM 666 O SER A 95 19.173 -5.715 8.872 1.00 34.02 O +ATOM 667 CB SER A 95 20.423 -3.308 10.040 1.00 30.14 C +ATOM 668 OG SER A 95 19.480 -2.733 10.927 1.00 35.21 O +ATOM 669 N ASP A 96 17.601 -4.298 8.104 1.00 27.96 N +ATOM 670 CA ASP A 96 16.592 -5.334 7.797 1.00 29.94 C +ATOM 671 C ASP A 96 16.461 -5.590 6.311 1.00 32.37 C +ATOM 672 O ASP A 96 15.709 -6.480 5.896 1.00 37.12 O +ATOM 673 CB ASP A 96 15.211 -4.924 8.307 1.00 32.82 C +ATOM 674 CG ASP A 96 14.958 -5.388 9.702 1.00 36.83 C +ATOM 675 OD1 ASP A 96 14.967 -6.615 9.921 1.00 55.04 O +ATOM 676 OD2 ASP A 96 14.751 -4.530 10.578 1.00 39.08 O +ATOM 677 N GLY A 97 17.173 -4.805 5.506 1.00 27.08 N +ATOM 678 CA GLY A 97 17.074 -4.913 4.053 1.00 22.91 C +ATOM 679 C GLY A 97 16.516 -3.642 3.446 1.00 20.08 C +ATOM 680 O GLY A 97 16.459 -2.591 4.102 1.00 25.38 O +ATOM 681 N TRP A 98 16.089 -3.770 2.192 1.00 16.71 N +ATOM 682 CA TRP A 98 15.563 -2.673 1.381 1.00 15.75 C +ATOM 683 C TRP A 98 14.194 -2.277 1.866 1.00 15.09 C +ATOM 684 O TRP A 98 13.416 -3.142 2.234 1.00 18.57 O +ATOM 685 CB TRP A 98 15.423 -3.130 -0.055 1.00 12.95 C +ATOM 686 CG TRP A 98 16.683 -3.188 -0.851 1.00 17.75 C +ATOM 687 CD1 TRP A 98 17.262 -4.299 -1.381 1.00 14.30 C +ATOM 688 CD2 TRP A 98 17.471 -2.090 -1.271 1.00 13.45 C +ATOM 689 NE1 TRP A 98 18.373 -3.960 -2.079 1.00 19.48 N +ATOM 690 CE2 TRP A 98 18.521 -2.604 -2.027 1.00 8.72 C +ATOM 691 CE3 TRP A 98 17.398 -0.719 -1.062 1.00 16.60 C +ATOM 692 CZ2 TRP A 98 19.497 -1.796 -2.588 1.00 16.75 C +ATOM 693 CZ3 TRP A 98 18.363 0.082 -1.600 1.00 21.12 C +ATOM 694 CH2 TRP A 98 19.399 -0.454 -2.367 1.00 23.06 C +ATOM 695 N SER A 99 13.907 -0.976 1.849 1.00 20.43 N +ATOM 696 CA SER A 99 12.580 -0.454 2.128 1.00 18.38 C +ATOM 697 C SER A 99 11.742 -0.615 0.877 1.00 16.11 C +ATOM 698 O SER A 99 12.245 -0.912 -0.177 1.00 18.26 O +ATOM 699 CB SER A 99 12.639 1.035 2.472 1.00 20.74 C +ATOM 700 OG SER A 99 12.898 1.811 1.312 1.00 19.91 O +ATOM 701 N GLU A 100 10.449 -0.398 1.032 1.00 11.54 N +ATOM 702 CA GLU A 100 9.528 -0.241 -0.063 1.00 14.19 C +ATOM 703 C GLU A 100 9.942 1.028 -0.826 1.00 14.02 C +ATOM 704 O GLU A 100 10.562 1.936 -0.262 1.00 14.02 O +ATOM 705 CB GLU A 100 8.085 -0.132 0.487 1.00 17.38 C +ATOM 706 CG GLU A 100 7.479 -1.428 1.032 1.00 41.88 C +ATOM 707 CD GLU A 100 7.578 -2.602 0.077 1.00 55.44 C +ATOM 708 OE1 GLU A 100 7.127 -2.475 -1.088 1.00 66.69 O +ATOM 709 OE2 GLU A 100 8.107 -3.655 0.500 1.00 67.58 O +ATOM 710 N THR A 101 9.590 1.096 -2.099 1.00 14.13 N +ATOM 711 CA THR A 101 9.909 2.259 -2.902 1.00 11.55 C +ATOM 712 C THR A 101 9.079 3.428 -2.406 1.00 15.57 C +ATOM 713 O THR A 101 7.919 3.245 -2.102 1.00 15.84 O +ATOM 714 CB THR A 101 9.649 1.969 -4.374 1.00 12.54 C +ATOM 715 OG1 THR A 101 10.480 0.850 -4.756 1.00 12.59 O +ATOM 716 CG2 THR A 101 9.998 3.181 -5.253 1.00 10.78 C +ATOM 717 N PHE A 102 9.673 4.616 -2.313 1.00 16.15 N +ATOM 718 CA PHE A 102 8.918 5.815 -1.954 1.00 17.65 C +ATOM 719 C PHE A 102 9.268 7.021 -2.843 1.00 19.29 C +ATOM 720 O PHE A 102 10.408 7.157 -3.288 1.00 18.47 O +ATOM 721 CB PHE A 102 9.104 6.151 -0.474 1.00 17.36 C +ATOM 722 CG PHE A 102 10.504 6.515 -0.092 1.00 17.23 C +ATOM 723 CD1 PHE A 102 11.395 5.544 0.277 1.00 16.30 C +ATOM 724 CD2 PHE A 102 10.918 7.836 -0.083 1.00 22.94 C +ATOM 725 CE1 PHE A 102 12.682 5.866 0.633 1.00 15.42 C +ATOM 726 CE2 PHE A 102 12.201 8.172 0.279 1.00 21.45 C +ATOM 727 CZ PHE A 102 13.090 7.186 0.631 1.00 25.17 C +ATOM 728 N PRO A 103 8.268 7.860 -3.159 1.00 17.51 N +ATOM 729 CA PRO A 103 6.873 7.570 -2.967 1.00 12.59 C +ATOM 730 C PRO A 103 6.540 6.406 -3.880 1.00 14.81 C +ATOM 731 O PRO A 103 7.387 5.989 -4.693 1.00 18.13 O +ATOM 732 CB PRO A 103 6.174 8.835 -3.452 1.00 13.66 C +ATOM 733 CG PRO A 103 7.222 9.851 -3.513 1.00 22.73 C +ATOM 734 CD PRO A 103 8.460 9.148 -3.830 1.00 18.72 C +ATOM 735 N ASP A 104 5.337 5.872 -3.771 1.00 16.93 N +ATOM 736 CA ASP A 104 4.965 4.743 -4.610 1.00 19.37 C +ATOM 737 C ASP A 104 5.044 5.171 -6.037 1.00 21.65 C +ATOM 738 O ASP A 104 4.913 6.351 -6.331 1.00 22.62 O +ATOM 739 CB ASP A 104 3.573 4.218 -4.268 1.00 18.77 C +ATOM 740 CG ASP A 104 2.514 5.283 -4.362 1.00 24.25 C +ATOM 741 OD1 ASP A 104 2.239 5.966 -3.318 1.00 29.78 O +ATOM 742 OD2 ASP A 104 1.973 5.462 -5.481 1.00 26.74 O +ATOM 743 N PHE A 105 5.306 4.206 -6.908 1.00 23.34 N +ATOM 744 CA PHE A 105 5.528 4.439 -8.327 1.00 24.26 C +ATOM 745 C PHE A 105 4.463 5.359 -8.961 1.00 26.59 C +ATOM 746 O PHE A 105 4.776 6.307 -9.666 1.00 29.65 O +ATOM 747 CB PHE A 105 5.579 3.076 -9.045 1.00 29.27 C +ATOM 748 CG PHE A 105 5.598 3.181 -10.540 1.00 23.25 C +ATOM 749 CD1 PHE A 105 6.781 3.288 -11.221 1.00 33.61 C +ATOM 750 CD2 PHE A 105 4.417 3.185 -11.253 1.00 26.38 C +ATOM 751 CE1 PHE A 105 6.783 3.413 -12.561 1.00 34.90 C +ATOM 752 CE2 PHE A 105 4.427 3.299 -12.611 1.00 28.05 C +ATOM 753 CZ PHE A 105 5.604 3.424 -13.259 1.00 29.49 C +ATOM 754 N VAL A 106 3.198 5.075 -8.702 1.00 22.83 N +ATOM 755 CA VAL A 106 2.111 5.811 -9.341 1.00 22.44 C +ATOM 756 C VAL A 106 2.114 7.282 -8.937 1.00 25.49 C +ATOM 757 O VAL A 106 1.894 8.171 -9.770 1.00 31.24 O +ATOM 758 CB VAL A 106 0.760 5.191 -8.960 1.00 27.66 C +ATOM 759 CG1 VAL A 106 -0.395 6.145 -9.288 1.00 31.84 C +ATOM 760 CG2 VAL A 106 0.601 3.829 -9.647 1.00 29.66 C +ATOM 761 N ASP A 107 2.361 7.534 -7.658 1.00 23.03 N +ATOM 762 CA ASP A 107 2.420 8.887 -7.137 1.00 21.46 C +ATOM 763 C ASP A 107 3.733 9.605 -7.492 1.00 28.07 C +ATOM 764 O ASP A 107 3.719 10.781 -7.855 1.00 29.28 O +ATOM 765 CB ASP A 107 2.253 8.865 -5.616 1.00 21.17 C +ATOM 766 CG ASP A 107 0.820 8.544 -5.188 1.00 32.14 C +ATOM 767 OD1 ASP A 107 -0.102 9.223 -5.696 1.00 37.98 O +ATOM 768 OD2 ASP A 107 0.607 7.632 -4.345 1.00 33.65 O +ATOM 769 N ALA A 108 4.855 8.898 -7.377 1.00 25.26 N +ATOM 770 CA ALA A 108 6.177 9.488 -7.561 1.00 25.39 C +ATOM 771 C ALA A 108 6.331 9.957 -8.982 1.00 27.43 C +ATOM 772 O ALA A 108 6.932 11.002 -9.266 1.00 37.00 O +ATOM 773 CB ALA A 108 7.247 8.479 -7.251 1.00 18.76 C +ATOM 774 N CYS A 109 5.764 9.167 -9.878 1.00 29.45 N +ATOM 775 CA CYS A 109 5.980 9.341 -11.298 1.00 29.88 C +ATOM 776 C CYS A 109 4.844 10.102 -12.000 1.00 36.79 C +ATOM 777 O CYS A 109 5.006 10.529 -13.156 1.00 42.25 O +ATOM 778 CB CYS A 109 6.205 7.968 -11.926 1.00 29.43 C +ATOM 779 SG CYS A 109 7.589 7.069 -11.160 1.00 30.85 S +ATOM 780 N GLY A 110 3.720 10.300 -11.310 1.00 37.77 N +ATOM 781 CA GLY A 110 2.542 10.927 -11.916 1.00 32.57 C +ATOM 782 C GLY A 110 1.983 10.103 -13.070 1.00 34.06 C +ATOM 783 O GLY A 110 1.609 10.653 -14.120 1.00 33.38 O +ATOM 784 N TYR A 111 1.942 8.782 -12.873 1.00 30.19 N +ATOM 785 CA TYR A 111 1.510 7.841 -13.910 1.00 32.02 C +ATOM 786 C TYR A 111 -0.012 7.738 -14.032 1.00 34.84 C +ATOM 787 O TYR A 111 -0.695 7.586 -13.033 1.00 37.12 O +ATOM 788 CB TYR A 111 2.080 6.435 -13.633 1.00 31.66 C +ATOM 789 CG TYR A 111 1.603 5.404 -14.632 1.00 31.73 C +ATOM 790 CD1 TYR A 111 2.304 5.168 -15.801 1.00 38.27 C +ATOM 791 CD2 TYR A 111 0.432 4.688 -14.420 1.00 40.15 C +ATOM 792 CE1 TYR A 111 1.855 4.235 -16.733 1.00 32.15 C +ATOM 793 CE2 TYR A 111 -0.017 3.748 -15.341 1.00 40.52 C +ATOM 794 CZ TYR A 111 0.698 3.531 -16.492 1.00 34.36 C +ATOM 795 OH TYR A 111 0.266 2.611 -17.420 1.00 42.86 O +ATOM 796 N SER A 112 -0.530 7.791 -15.263 1.00 46.18 N +ATOM 797 CA SER A 112 -1.930 7.407 -15.546 1.00 52.11 C +ATOM 798 C SER A 112 -2.158 6.972 -17.014 1.00 57.20 C +ATOM 799 O SER A 112 -1.412 7.370 -17.924 1.00 53.66 O +ATOM 800 CB SER A 112 -2.901 8.539 -15.173 1.00 54.44 C +ATOM 801 OG SER A 112 -2.757 9.658 -16.032 1.00 51.69 O +ATOM 802 N ASP A 113 -3.195 6.162 -17.234 1.00 62.93 N +ATOM 803 CA ASP A 113 -3.557 5.721 -18.581 1.00 69.88 C +ATOM 804 C ASP A 113 -5.005 6.051 -18.918 1.00 73.22 C +ATOM 805 O ASP A 113 -5.894 5.752 -18.132 1.00 76.80 O +ATOM 806 CB ASP A 113 -3.348 4.216 -18.708 1.00 73.22 C +ATOM 807 CG ASP A 113 -3.493 3.732 -20.136 1.00 74.13 C +ATOM 808 OD1 ASP A 113 -4.598 3.868 -20.705 1.00 77.57 O +ATOM 809 OD2 ASP A 113 -2.499 3.218 -20.688 1.00 80.31 O +ATOM 810 N PRO A 114 -5.255 6.641 -20.103 1.00 80.13 N +ATOM 811 CA PRO A 114 -6.643 6.981 -20.472 1.00 81.33 C +ATOM 812 C PRO A 114 -7.490 5.755 -20.821 1.00 80.09 C +ATOM 813 O PRO A 114 -8.342 5.352 -20.029 1.00 76.08 O +ATOM 814 CB PRO A 114 -6.476 7.886 -21.699 1.00 81.85 C +ATOM 815 CG PRO A 114 -5.167 7.480 -22.300 1.00 83.68 C +ATOM 816 CD PRO A 114 -4.290 7.008 -21.162 1.00 80.62 C Added: SwiftApps/modFTdock/input/2x57-3.pdb =================================================================== --- SwiftApps/modFTdock/input/2x57-3.pdb (rev 0) +++ SwiftApps/modFTdock/input/2x57-3.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,814 @@ +ATOM 1 N SER B -15 38.874 -25.569 -40.094 1.00 28.08 N +ATOM 2 CA SER B -15 37.612 -25.991 -39.435 1.00 37.02 C +ATOM 3 C SER B -15 37.876 -27.197 -38.524 1.00 38.16 C +ATOM 4 O SER B -15 38.582 -28.148 -38.911 1.00 40.26 O +ATOM 5 CB SER B -15 36.531 -26.320 -40.468 1.00 39.97 C +ATOM 6 OG SER B -15 35.334 -26.759 -39.829 1.00 44.93 O +ATOM 7 N SER B -14 37.321 -27.163 -37.311 1.00 28.73 N +ATOM 8 CA SER B -14 37.675 -28.169 -36.326 1.00 22.82 C +ATOM 9 C SER B -14 36.449 -28.718 -35.664 1.00 17.51 C +ATOM 10 O SER B -14 35.334 -28.399 -36.039 1.00 20.76 O +ATOM 11 CB SER B -14 38.731 -27.646 -35.316 1.00 26.25 C +ATOM 12 OG SER B -14 38.197 -26.955 -34.193 1.00 23.98 O +ATOM 13 N GLY B -13 36.659 -29.607 -34.710 1.00 12.86 N +ATOM 14 CA GLY B -13 35.564 -30.096 -33.912 1.00 6.28 C +ATOM 15 C GLY B -13 34.853 -29.032 -33.162 1.00 7.32 C +ATOM 16 O GLY B -13 33.658 -29.149 -32.919 1.00 14.60 O +ATOM 17 N VAL B -12 35.563 -27.952 -32.844 1.00 9.95 N +ATOM 18 CA VAL B -12 34.966 -26.828 -32.174 1.00 11.72 C +ATOM 19 C VAL B -12 33.855 -26.201 -33.014 1.00 13.53 C +ATOM 20 O VAL B -12 32.769 -25.925 -32.496 1.00 14.22 O +ATOM 21 CB VAL B -12 36.038 -25.784 -31.796 1.00 12.27 C +ATOM 22 CG1 VAL B -12 35.397 -24.553 -31.236 1.00 17.56 C +ATOM 23 CG2 VAL B -12 36.985 -26.366 -30.788 1.00 12.16 C +ATOM 24 N ASP B -11 34.101 -26.031 -34.313 1.00 9.03 N +ATOM 25 CA ASP B -11 33.162 -25.343 -35.209 1.00 8.35 C +ATOM 26 C ASP B -11 31.917 -26.164 -35.442 1.00 5.35 C +ATOM 27 O ASP B -11 30.862 -25.625 -35.717 1.00 15.03 O +ATOM 28 CB ASP B -11 33.787 -25.077 -36.586 1.00 17.18 C +ATOM 29 CG ASP B -11 35.005 -24.177 -36.533 1.00 28.77 C +ATOM 30 OD1 ASP B -11 34.853 -22.956 -36.700 1.00 31.16 O +ATOM 31 OD2 ASP B -11 36.125 -24.685 -36.337 1.00 33.19 O +ATOM 32 N LEU B -10 32.065 -27.479 -35.406 1.00 5.00 N +ATOM 33 CA LEU B -10 30.952 -28.410 -35.640 1.00 12.75 C +ATOM 34 C LEU B -10 30.224 -28.776 -34.351 1.00 11.77 C +ATOM 35 O LEU B -10 29.234 -29.500 -34.397 1.00 16.02 O +ATOM 36 CB LEU B -10 31.466 -29.713 -36.294 1.00 11.18 C +ATOM 37 CG LEU B -10 32.102 -29.601 -37.699 1.00 19.90 C +ATOM 38 CD1 LEU B -10 32.655 -30.949 -38.159 1.00 9.99 C +ATOM 39 CD2 LEU B -10 31.108 -29.075 -38.731 1.00 30.75 C +ATOM 40 N GLY B -9 30.687 -28.288 -33.200 1.00 16.11 N +ATOM 41 CA GLY B -9 30.028 -28.633 -31.924 1.00 13.29 C +ATOM 42 C GLY B -9 28.643 -28.023 -31.911 1.00 13.77 C +ATOM 43 O GLY B -9 28.437 -26.980 -32.502 1.00 8.18 O +ATOM 44 N THR B -8 27.687 -28.655 -31.237 1.00 10.77 N +ATOM 45 CA THR B -8 26.301 -28.168 -31.232 1.00 8.68 C +ATOM 46 C THR B -8 26.115 -26.857 -30.501 1.00 9.44 C +ATOM 47 O THR B -8 25.211 -26.084 -30.816 1.00 11.88 O +ATOM 48 CB THR B -8 25.355 -29.249 -30.728 1.00 12.48 C +ATOM 49 OG1 THR B -8 25.940 -29.890 -29.597 1.00 12.03 O +ATOM 50 CG2 THR B -8 25.206 -30.302 -31.818 1.00 12.70 C +ATOM 51 N GLU B -7 27.030 -26.536 -29.603 1.00 9.90 N +ATOM 52 CA GLU B -7 26.986 -25.245 -28.944 1.00 11.87 C +ATOM 53 C GLU B -7 27.276 -24.149 -29.949 1.00 12.21 C +ATOM 54 O GLU B -7 26.569 -23.162 -30.023 1.00 12.69 O +ATOM 55 CB GLU B -7 27.988 -25.244 -27.785 1.00 20.06 C +ATOM 56 CG GLU B -7 27.482 -24.559 -26.580 1.00 26.73 C +ATOM 57 CD GLU B -7 28.450 -24.537 -25.422 1.00 22.29 C +ATOM 58 OE1 GLU B -7 29.185 -25.510 -25.186 1.00 17.86 O +ATOM 59 OE2 GLU B -7 28.467 -23.506 -24.756 1.00 21.04 O +ATOM 60 N ASN B -6 28.296 -24.331 -30.791 1.00 11.18 N +ATOM 61 CA ASN B -6 28.550 -23.341 -31.825 1.00 6.90 C +ATOM 62 C ASN B -6 27.450 -23.329 -32.884 1.00 9.95 C +ATOM 63 O ASN B -6 27.095 -22.283 -33.354 1.00 15.37 O +ATOM 64 CB ASN B -6 29.870 -23.595 -32.519 1.00 7.79 C +ATOM 65 CG ASN B -6 30.211 -22.518 -33.508 1.00 11.00 C +ATOM 66 OD1 ASN B -6 30.233 -21.340 -33.190 1.00 10.76 O +ATOM 67 ND2 ASN B -6 30.499 -22.923 -34.708 1.00 9.10 N +ATOM 68 N LEU B -5 26.926 -24.490 -33.272 1.00 11.12 N +ATOM 69 CA LEU B -5 25.848 -24.519 -34.298 1.00 11.52 C +ATOM 70 C LEU B -5 24.599 -23.748 -33.843 1.00 14.34 C +ATOM 71 O LEU B -5 23.983 -22.993 -34.615 1.00 17.31 O +ATOM 72 CB LEU B -5 25.510 -25.938 -34.701 1.00 16.44 C +ATOM 73 CG LEU B -5 26.688 -26.734 -35.322 1.00 32.16 C +ATOM 74 CD1 LEU B -5 26.278 -28.176 -35.701 1.00 26.28 C +ATOM 75 CD2 LEU B -5 27.347 -26.016 -36.525 1.00 25.56 C +ATOM 76 N TYR B -4 24.272 -23.868 -32.577 1.00 19.90 N +ATOM 77 CA TYR B -4 23.135 -23.148 -31.990 1.00 18.57 C +ATOM 78 C TYR B -4 23.359 -21.641 -32.080 1.00 20.60 C +ATOM 79 O TYR B -4 22.519 -20.923 -32.566 1.00 18.89 O +ATOM 80 CB TYR B -4 22.971 -23.611 -30.544 1.00 26.30 C +ATOM 81 CG TYR B -4 21.992 -22.859 -29.647 1.00 41.15 C +ATOM 82 CD1 TYR B -4 20.626 -22.931 -29.841 1.00 57.02 C +ATOM 83 CD2 TYR B -4 22.455 -22.140 -28.565 1.00 51.14 C +ATOM 84 CE1 TYR B -4 19.749 -22.281 -28.991 1.00 65.17 C +ATOM 85 CE2 TYR B -4 21.600 -21.489 -27.722 1.00 64.64 C +ATOM 86 CZ TYR B -4 20.242 -21.571 -27.918 1.00 52.84 C +ATOM 87 OH TYR B -4 19.391 -20.908 -27.045 1.00 62.67 O +ATOM 88 N PHE B -3 24.495 -21.171 -31.600 1.00 13.93 N +ATOM 89 CA PHE B -3 24.844 -19.792 -31.774 1.00 13.67 C +ATOM 90 C PHE B -3 24.842 -19.338 -33.223 1.00 13.67 C +ATOM 91 O PHE B -3 24.257 -18.324 -33.538 1.00 18.57 O +ATOM 92 CB PHE B -3 26.230 -19.511 -31.188 1.00 10.95 C +ATOM 93 CG PHE B -3 26.766 -18.135 -31.545 1.00 8.36 C +ATOM 94 CD1 PHE B -3 26.279 -17.024 -30.926 1.00 14.16 C +ATOM 95 CD2 PHE B -3 27.773 -17.985 -32.458 1.00 11.96 C +ATOM 96 CE1 PHE B -3 26.745 -15.785 -31.281 1.00 9.07 C +ATOM 97 CE2 PHE B -3 28.237 -16.774 -32.806 1.00 10.38 C +ATOM 98 CZ PHE B -3 27.714 -15.664 -32.224 1.00 13.41 C +ATOM 99 N GLN B -2 25.535 -20.040 -34.108 1.00 13.63 N +ATOM 100 CA GLN B -2 25.669 -19.570 -35.507 1.00 16.39 C +ATOM 101 C GLN B -2 24.288 -19.419 -36.150 1.00 15.01 C +ATOM 102 O GLN B -2 24.045 -18.466 -36.861 1.00 15.32 O +ATOM 103 CB GLN B -2 26.525 -20.515 -36.368 1.00 16.43 C +ATOM 104 CG GLN B -2 27.983 -20.685 -35.906 1.00 20.62 C +ATOM 105 CD GLN B -2 28.826 -19.451 -36.180 1.00 16.40 C +ATOM 106 OE1 GLN B -2 28.503 -18.688 -37.079 1.00 14.48 O +ATOM 107 NE2 GLN B -2 29.913 -19.266 -35.422 1.00 9.98 N +ATOM 108 N SER B -1 23.384 -20.346 -35.861 1.00 16.26 N +ATOM 109 CA SER B -1 22.028 -20.273 -36.399 1.00 19.79 C +ATOM 110 C SER B -1 21.241 -19.053 -35.912 1.00 21.85 C +ATOM 111 O SER B -1 20.202 -18.738 -36.459 1.00 28.65 O +ATOM 112 CB ASER B -1 21.235 -21.532 -36.041 0.50 17.77 C +ATOM 113 CB BSER B -1 21.254 -21.545 -36.086 0.50 17.61 C +ATOM 114 OG ASER B -1 20.812 -21.504 -34.679 0.50 16.60 O +ATOM 115 OG BSER B -1 21.935 -22.671 -36.596 0.50 23.05 O +ATOM 124 N ARG B 26 22.549 -15.911 -35.350 1.00 17.28 N +ATOM 125 CA ARG B 26 23.323 -14.703 -35.487 1.00 16.65 C +ATOM 126 C ARG B 26 22.508 -13.616 -36.156 1.00 20.15 C +ATOM 127 O ARG B 26 22.538 -12.483 -35.732 1.00 18.34 O +ATOM 128 CB ARG B 26 24.606 -14.959 -36.267 1.00 15.85 C +ATOM 129 CG ARG B 26 25.779 -15.432 -35.423 1.00 16.29 C +ATOM 130 CD ARG B 26 26.905 -15.981 -36.327 1.00 14.11 C +ATOM 131 NE ARG B 26 27.498 -14.870 -37.067 1.00 17.71 N +ATOM 132 CZ ARG B 26 28.442 -14.990 -38.003 1.00 23.12 C +ATOM 133 NH1 ARG B 26 28.911 -16.177 -38.348 1.00 19.98 N +ATOM 134 NH2 ARG B 26 28.900 -13.911 -38.619 1.00 25.44 N +ATOM 135 N PHE B 27 21.782 -13.951 -37.211 1.00 20.79 N +ATOM 136 CA PHE B 27 20.984 -12.943 -37.919 1.00 22.52 C +ATOM 137 C PHE B 27 19.932 -12.370 -36.998 1.00 18.52 C +ATOM 138 O PHE B 27 19.707 -11.188 -36.964 1.00 19.89 O +ATOM 139 CB PHE B 27 20.307 -13.531 -39.173 1.00 28.87 C +ATOM 140 CG PHE B 27 21.263 -13.960 -40.262 1.00 29.68 C +ATOM 141 CD1 PHE B 27 22.489 -13.346 -40.443 1.00 44.12 C +ATOM 142 CD2 PHE B 27 20.906 -14.971 -41.126 1.00 52.96 C +ATOM 143 CE1 PHE B 27 23.332 -13.751 -41.437 1.00 35.53 C +ATOM 144 CE2 PHE B 27 21.752 -15.371 -42.121 1.00 53.04 C +ATOM 145 CZ PHE B 27 22.967 -14.757 -42.277 1.00 53.44 C +ATOM 146 N HIS B 28 19.305 -13.236 -36.235 1.00 18.49 N +ATOM 147 CA HIS B 28 18.300 -12.855 -35.279 1.00 17.86 C +ATOM 148 C HIS B 28 18.865 -11.911 -34.249 1.00 25.21 C +ATOM 149 O HIS B 28 18.292 -10.879 -33.948 1.00 25.37 O +ATOM 150 CB HIS B 28 17.712 -14.134 -34.649 1.00 23.66 C +ATOM 151 CG HIS B 28 17.003 -13.910 -33.360 1.00 23.72 C +ATOM 152 ND1 HIS B 28 15.832 -13.193 -33.272 1.00 37.08 N +ATOM 153 CD2 HIS B 28 17.349 -14.228 -32.091 1.00 42.65 C +ATOM 154 CE1 HIS B 28 15.455 -13.124 -32.010 1.00 43.89 C +ATOM 155 NE2 HIS B 28 16.369 -13.725 -31.270 1.00 40.10 N +ATOM 156 N LEU B 29 20.004 -12.254 -33.690 1.00 23.19 N +ATOM 157 CA LEU B 29 20.549 -11.430 -32.636 1.00 18.73 C +ATOM 158 C LEU B 29 20.897 -10.056 -33.163 1.00 15.81 C +ATOM 159 O LEU B 29 20.737 -9.078 -32.478 1.00 19.38 O +ATOM 160 CB LEU B 29 21.790 -12.092 -32.029 1.00 20.78 C +ATOM 161 CG LEU B 29 21.588 -13.451 -31.296 1.00 21.23 C +ATOM 162 CD1 LEU B 29 22.889 -14.263 -31.235 1.00 21.47 C +ATOM 163 CD2 LEU B 29 21.016 -13.251 -29.933 1.00 19.56 C +ATOM 164 N GLU B 30 21.473 -10.009 -34.354 1.00 14.59 N +ATOM 165 CA GLU B 30 21.791 -8.770 -35.025 1.00 19.13 C +ATOM 166 C GLU B 30 20.566 -7.898 -35.261 1.00 18.71 C +ATOM 167 O GLU B 30 20.620 -6.710 -35.049 1.00 21.69 O +ATOM 168 CB GLU B 30 22.487 -9.057 -36.352 1.00 16.41 C +ATOM 169 CG GLU B 30 23.885 -9.611 -36.174 1.00 25.44 C +ATOM 170 CD GLU B 30 24.586 -9.868 -37.500 1.00 28.52 C +ATOM 171 OE1 GLU B 30 24.773 -8.897 -38.255 1.00 28.15 O +ATOM 172 OE2 GLU B 30 24.949 -11.027 -37.786 1.00 28.66 O +ATOM 173 N ILE B 31 19.472 -8.473 -35.726 1.00 20.01 N +ATOM 174 CA ILE B 31 18.278 -7.693 -35.995 1.00 18.76 C +ATOM 175 C ILE B 31 17.664 -7.205 -34.687 1.00 25.10 C +ATOM 176 O ILE B 31 17.249 -6.056 -34.580 1.00 21.74 O +ATOM 177 CB ILE B 31 17.297 -8.477 -36.895 1.00 24.59 C +ATOM 178 CG1 ILE B 31 17.954 -8.710 -38.263 1.00 23.76 C +ATOM 179 CG2 ILE B 31 15.948 -7.721 -37.081 1.00 19.96 C +ATOM 180 CD1 ILE B 31 17.256 -9.730 -39.180 1.00 26.80 C +ATOM 181 N GLN B 32 17.655 -8.039 -33.655 1.00 20.39 N +ATOM 182 CA GLN B 32 17.063 -7.640 -32.408 1.00 18.68 C +ATOM 183 C GLN B 32 17.850 -6.556 -31.795 1.00 15.05 C +ATOM 184 O GLN B 32 17.298 -5.678 -31.132 1.00 19.73 O +ATOM 185 CB GLN B 32 16.995 -8.826 -31.449 1.00 19.76 C +ATOM 186 CG GLN B 32 16.654 -8.520 -30.002 1.00 38.08 C +ATOM 187 CD GLN B 32 16.555 -9.817 -29.196 1.00 55.98 C +ATOM 188 OE1 GLN B 32 17.507 -10.235 -28.505 1.00 52.14 O +ATOM 189 NE2 GLN B 32 15.428 -10.496 -29.345 1.00 37.17 N +ATOM 190 N GLU B 33 19.162 -6.624 -31.942 1.00 17.37 N +ATOM 191 CA GLU B 33 20.002 -5.570 -31.432 1.00 18.94 C +ATOM 192 C GLU B 33 19.663 -4.224 -32.114 1.00 20.82 C +ATOM 193 O GLU B 33 19.672 -3.167 -31.478 1.00 18.41 O +ATOM 194 CB GLU B 33 21.466 -5.915 -31.677 1.00 25.03 C +ATOM 195 CG GLU B 33 22.483 -4.912 -31.160 1.00 24.86 C +ATOM 196 CD GLU B 33 22.245 -4.460 -29.704 1.00 73.21 C +ATOM 197 OE1 GLU B 33 21.682 -5.228 -28.870 1.00 53.83 O +ATOM 198 OE2 GLU B 33 22.635 -3.307 -29.393 1.00 92.90 O +ATOM 199 N GLU B 34 19.421 -4.267 -33.414 1.00 16.51 N +ATOM 200 CA GLU B 34 19.067 -3.055 -34.177 1.00 16.21 C +ATOM 201 C GLU B 34 17.692 -2.554 -33.747 1.00 15.91 C +ATOM 202 O GLU B 34 17.473 -1.345 -33.650 1.00 16.23 O +ATOM 203 CB GLU B 34 19.112 -3.288 -35.684 1.00 21.91 C +ATOM 204 CG GLU B 34 20.533 -3.318 -36.331 1.00 34.21 C +ATOM 205 CD GLU B 34 21.434 -2.195 -35.844 1.00 48.58 C +ATOM 206 OE1 GLU B 34 22.410 -2.477 -35.104 1.00 57.79 O +ATOM 207 OE2 GLU B 34 21.134 -1.022 -36.147 1.00 44.56 O +ATOM 208 N GLU B 35 16.793 -3.464 -33.418 1.00 14.91 N +ATOM 209 CA GLU B 35 15.465 -3.078 -32.952 1.00 17.00 C +ATOM 210 C GLU B 35 15.543 -2.426 -31.585 1.00 17.62 C +ATOM 211 O GLU B 35 14.878 -1.453 -31.338 1.00 17.46 O +ATOM 212 CB GLU B 35 14.525 -4.262 -32.855 1.00 16.32 C +ATOM 213 CG GLU B 35 13.937 -4.745 -34.135 1.00 19.81 C +ATOM 214 CD GLU B 35 13.121 -6.064 -33.914 1.00 32.22 C +ATOM 215 OE1 GLU B 35 13.627 -6.945 -33.201 1.00 44.19 O +ATOM 216 OE2 GLU B 35 12.008 -6.214 -34.445 1.00 49.53 O +ATOM 217 N THR B 36 16.326 -2.997 -30.690 1.00 13.59 N +ATOM 218 CA THR B 36 16.592 -2.365 -29.406 1.00 13.56 C +ATOM 219 C THR B 36 17.179 -0.959 -29.507 1.00 13.01 C +ATOM 220 O THR B 36 16.710 -0.044 -28.848 1.00 12.45 O +ATOM 221 CB THR B 36 17.583 -3.212 -28.591 1.00 17.82 C +ATOM 222 OG1 THR B 36 17.030 -4.525 -28.433 1.00 18.29 O +ATOM 223 CG2 THR B 36 17.839 -2.572 -27.160 1.00 18.08 C +ATOM 224 N LYS B 37 18.203 -0.775 -30.332 1.00 14.95 N +ATOM 225 CA LYS B 37 18.749 0.534 -30.500 1.00 14.38 C +ATOM 226 C LYS B 37 17.682 1.483 -31.053 1.00 16.87 C +ATOM 227 O LYS B 37 17.605 2.654 -30.669 1.00 14.77 O +ATOM 228 CB LYS B 37 19.926 0.480 -31.473 1.00 24.05 C +ATOM 229 CG LYS B 37 21.200 -0.143 -30.915 1.00 31.09 C +ATOM 230 CD LYS B 37 22.311 -0.123 -32.013 1.00 47.36 C +ATOM 231 CE LYS B 37 23.655 -0.671 -31.497 1.00 58.90 C +ATOM 232 NZ LYS B 37 24.693 -0.765 -32.573 1.00 64.10 N +ATOM 233 N CYS B 38 16.845 0.987 -31.949 1.00 15.07 N +ATOM 234 CA CYS B 38 15.790 1.841 -32.509 1.00 15.41 C +ATOM 235 C CYS B 38 14.861 2.298 -31.392 1.00 13.75 C +ATOM 236 O CYS B 38 14.573 3.478 -31.261 1.00 14.13 O +ATOM 237 CB CYS B 38 14.999 1.118 -33.612 1.00 15.33 C +ATOM 238 SG CYS B 38 13.866 2.208 -34.556 1.00 13.70 S +ATOM 239 N ALA B 39 14.421 1.356 -30.563 1.00 17.58 N +ATOM 240 CA ALA B 39 13.568 1.678 -29.394 1.00 15.14 C +ATOM 241 C ALA B 39 14.182 2.717 -28.443 1.00 8.67 C +ATOM 242 O ALA B 39 13.543 3.653 -28.039 1.00 11.51 O +ATOM 243 CB ALA B 39 13.283 0.448 -28.666 1.00 12.54 C +ATOM 244 N GLU B 40 15.441 2.539 -28.105 1.00 11.76 N +ATOM 245 CA GLU B 40 16.142 3.467 -27.246 1.00 10.47 C +ATOM 246 C GLU B 40 16.230 4.830 -27.902 1.00 12.01 C +ATOM 247 O GLU B 40 16.011 5.842 -27.266 1.00 14.61 O +ATOM 248 CB GLU B 40 17.563 2.952 -27.017 1.00 15.19 C +ATOM 249 CG GLU B 40 17.636 1.624 -26.235 1.00 24.47 C +ATOM 250 CD GLU B 40 17.082 1.762 -24.823 1.00 36.57 C +ATOM 251 OE1 GLU B 40 16.946 2.910 -24.343 1.00 37.09 O +ATOM 252 OE2 GLU B 40 16.782 0.727 -24.194 1.00 33.01 O +ATOM 253 N LEU B 41 16.561 4.862 -29.187 1.00 15.97 N +ATOM 254 CA LEU B 41 16.629 6.141 -29.941 1.00 16.14 C +ATOM 255 C LEU B 41 15.321 6.898 -29.910 1.00 13.53 C +ATOM 256 O LEU B 41 15.286 8.096 -29.638 1.00 18.56 O +ATOM 257 CB LEU B 41 17.034 5.908 -31.398 1.00 17.01 C +ATOM 258 CG LEU B 41 17.241 7.165 -32.293 1.00 27.03 C +ATOM 259 CD1 LEU B 41 18.316 8.104 -31.724 1.00 21.67 C +ATOM 260 CD2 LEU B 41 17.635 6.695 -33.719 1.00 24.47 C +ATOM 261 N LEU B 42 14.238 6.192 -30.157 1.00 12.44 N +ATOM 262 CA LEU B 42 12.938 6.831 -30.240 1.00 14.45 C +ATOM 263 C LEU B 42 12.590 7.296 -28.888 1.00 14.60 C +ATOM 264 O LEU B 42 12.027 8.367 -28.739 1.00 22.27 O +ATOM 265 CB LEU B 42 11.855 5.880 -30.766 1.00 12.17 C +ATOM 266 CG LEU B 42 12.025 5.294 -32.150 1.00 22.48 C +ATOM 267 CD1 LEU B 42 10.707 4.828 -32.736 1.00 17.21 C +ATOM 268 CD2 LEU B 42 12.734 6.221 -33.084 1.00 21.09 C +ATOM 269 N ARG B 43 12.989 6.552 -27.868 1.00 13.38 N +ATOM 270 CA ARG B 43 12.650 6.977 -26.512 1.00 15.61 C +ATOM 271 C ARG B 43 13.373 8.276 -26.110 1.00 24.17 C +ATOM 272 O ARG B 43 12.800 9.076 -25.403 1.00 18.78 O +ATOM 273 CB ARG B 43 13.030 5.906 -25.478 1.00 13.89 C +ATOM 274 CG ARG B 43 12.770 6.300 -23.995 1.00 18.95 C +ATOM 275 CD ARG B 43 11.275 6.592 -23.719 1.00 23.09 C +ATOM 276 NE ARG B 43 10.458 5.433 -24.100 1.00 27.07 N +ATOM 277 CZ ARG B 43 9.209 5.493 -24.560 1.00 37.28 C +ATOM 278 NH1 ARG B 43 8.581 6.658 -24.688 1.00 52.48 N +ATOM 279 NH2 ARG B 43 8.584 4.377 -24.915 1.00 31.70 N +ATOM 280 N SER B 44 14.651 8.392 -26.491 1.00 22.92 N +ATOM 281 CA SER B 44 15.520 9.541 -26.180 1.00 28.39 C +ATOM 282 C SER B 44 15.056 10.816 -26.887 1.00 26.70 C +ATOM 283 O SER B 44 15.453 11.897 -26.514 1.00 37.38 O +ATOM 284 CB SER B 44 16.962 9.255 -26.625 1.00 23.45 C +ATOM 285 OG SER B 44 17.033 9.456 -28.036 1.00 31.80 O +ATOM 286 N GLN B 45 14.212 10.674 -27.896 1.00 32.67 N +ATOM 287 CA GLN B 45 13.667 11.782 -28.675 1.00 37.43 C +ATOM 288 C GLN B 45 12.196 12.117 -28.374 1.00 45.72 C +ATOM 289 O GLN B 45 11.612 12.934 -29.102 1.00 44.36 O +ATOM 290 CB GLN B 45 13.704 11.406 -30.163 1.00 38.30 C +ATOM 291 CG GLN B 45 15.068 11.037 -30.719 1.00 54.41 C +ATOM 292 CD GLN B 45 15.703 12.204 -31.402 1.00 71.71 C +ATOM 293 OE1 GLN B 45 16.462 12.963 -30.791 1.00 62.07 O +ATOM 294 NE2 GLN B 45 15.356 12.399 -32.666 1.00 68.53 N +ATOM 295 N THR B 46 11.579 11.485 -27.363 1.00 49.90 N +ATOM 296 CA THR B 46 10.111 11.620 -27.161 1.00 55.85 C +ATOM 297 C THR B 46 9.618 13.039 -26.850 1.00 56.19 C +ATOM 298 O THR B 46 8.496 13.396 -27.225 1.00 55.40 O +ATOM 299 CB THR B 46 9.541 10.689 -26.050 1.00 57.76 C +ATOM 300 OG1 THR B 46 10.293 10.839 -24.834 1.00 59.05 O +ATOM 301 CG2 THR B 46 9.546 9.260 -26.508 1.00 53.85 C +ATOM 302 N GLU B 47 10.451 13.837 -26.177 1.00 56.50 N +ATOM 303 CA GLU B 47 10.094 15.236 -25.854 1.00 59.25 C +ATOM 304 C GLU B 47 10.066 16.163 -27.086 1.00 54.87 C +ATOM 305 O GLU B 47 9.495 17.244 -27.016 1.00 54.81 O +ATOM 306 CB GLU B 47 11.041 15.840 -24.791 1.00 57.10 C +ATOM 307 CG GLU B 47 11.276 14.974 -23.532 1.00 77.95 C +ATOM 308 CD GLU B 47 9.988 14.589 -22.796 1.00 91.97 C +ATOM 309 OE1 GLU B 47 9.025 15.390 -22.813 1.00 84.54 O +ATOM 310 OE2 GLU B 47 9.948 13.485 -22.194 1.00 86.12 O +ATOM 311 N LYS B 48 10.655 15.743 -28.207 1.00 50.31 N +ATOM 312 CA LYS B 48 10.796 16.639 -29.360 1.00 51.88 C +ATOM 313 C LYS B 48 9.590 16.790 -30.312 1.00 51.33 C +ATOM 314 O LYS B 48 9.475 17.817 -30.983 1.00 50.22 O +ATOM 315 CB LYS B 48 12.064 16.300 -30.141 1.00 52.86 C +ATOM 316 CG LYS B 48 13.286 16.923 -29.507 1.00 55.86 C +ATOM 317 CD LYS B 48 14.564 16.275 -29.966 1.00 74.07 C +ATOM 318 CE LYS B 48 15.755 16.930 -29.290 1.00 81.50 C +ATOM 319 NZ LYS B 48 16.956 16.070 -29.381 1.00 93.14 N +ATOM 320 N HIS B 49 8.706 15.796 -30.390 1.00 49.54 N +ATOM 321 CA HIS B 49 7.522 15.888 -31.273 1.00 52.47 C +ATOM 322 C HIS B 49 7.837 16.384 -32.714 1.00 51.03 C +ATOM 323 O HIS B 49 7.628 17.554 -33.052 1.00 53.86 O +ATOM 324 CB HIS B 49 6.438 16.789 -30.648 1.00 54.47 C +ATOM 325 CG HIS B 49 6.054 16.398 -29.249 1.00 66.39 C +ATOM 326 ND1 HIS B 49 5.912 15.082 -28.851 1.00 70.83 N +ATOM 327 CD2 HIS B 49 5.775 17.153 -28.158 1.00 63.96 C +ATOM 328 CE1 HIS B 49 5.573 15.043 -27.572 1.00 67.07 C +ATOM 329 NE2 HIS B 49 5.481 16.286 -27.129 1.00 76.43 N +ATOM 330 N LYS B 50 8.339 15.486 -33.549 1.00 41.75 N +ATOM 331 CA LYS B 50 8.650 15.813 -34.923 1.00 35.12 C +ATOM 332 C LYS B 50 7.496 15.449 -35.819 1.00 30.80 C +ATOM 333 O LYS B 50 6.629 14.682 -35.434 1.00 30.79 O +ATOM 334 CB LYS B 50 9.910 15.080 -35.351 1.00 33.91 C +ATOM 335 CG LYS B 50 11.132 15.466 -34.512 1.00 36.34 C +ATOM 336 CD LYS B 50 12.362 15.710 -35.374 1.00 34.47 C +ATOM 337 CE LYS B 50 13.515 16.263 -34.567 1.00 45.71 C +ATOM 338 NZ LYS B 50 14.821 15.705 -35.017 1.00 44.29 N +ATOM 339 N ALA B 51 7.506 15.983 -37.036 1.00 25.86 N +ATOM 340 CA ALA B 51 6.429 15.773 -38.003 1.00 25.37 C +ATOM 341 C ALA B 51 6.208 14.293 -38.351 1.00 25.45 C +ATOM 342 O ALA B 51 5.082 13.855 -38.540 1.00 27.48 O +ATOM 343 CB ALA B 51 6.740 16.545 -39.271 1.00 17.00 C +ATOM 344 N CYS B 52 7.285 13.540 -38.483 1.00 18.50 N +ATOM 345 CA CYS B 52 7.189 12.097 -38.742 1.00 21.22 C +ATOM 346 C CYS B 52 7.856 11.344 -37.594 1.00 18.53 C +ATOM 347 O CYS B 52 9.059 11.390 -37.431 1.00 17.28 O +ATOM 348 CB CYS B 52 7.859 11.731 -40.061 1.00 21.43 C +ATOM 349 SG CYS B 52 7.211 12.573 -41.569 1.00 21.31 S +ATOM 350 N SER B 53 7.054 10.680 -36.780 1.00 16.07 N +ATOM 351 CA SER B 53 7.558 9.954 -35.633 1.00 20.46 C +ATOM 352 C SER B 53 8.323 8.739 -36.104 1.00 21.17 C +ATOM 353 O SER B 53 8.191 8.325 -37.239 1.00 17.79 O +ATOM 354 CB SER B 53 6.403 9.577 -34.689 1.00 25.44 C +ATOM 355 OG SER B 53 5.498 8.733 -35.322 1.00 33.83 O +ATOM 356 N GLY B 54 9.151 8.191 -35.235 1.00 15.09 N +ATOM 357 CA GLY B 54 10.057 7.125 -35.599 1.00 15.97 C +ATOM 358 C GLY B 54 9.343 5.856 -35.964 1.00 12.81 C +ATOM 359 O GLY B 54 8.360 5.504 -35.350 1.00 13.56 O +ATOM 360 N VAL B 55 9.813 5.190 -37.021 1.00 13.79 N +ATOM 361 CA VAL B 55 9.203 3.954 -37.508 1.00 11.30 C +ATOM 362 C VAL B 55 10.250 2.937 -37.864 1.00 12.91 C +ATOM 363 O VAL B 55 11.416 3.269 -37.992 1.00 15.15 O +ATOM 364 CB VAL B 55 8.272 4.177 -38.716 1.00 17.33 C +ATOM 365 CG1 VAL B 55 7.109 5.095 -38.332 1.00 12.90 C +ATOM 366 CG2 VAL B 55 9.062 4.753 -39.862 1.00 13.72 C +ATOM 367 N TRP B 56 9.815 1.681 -37.983 1.00 15.66 N +ATOM 368 CA TRP B 56 10.684 0.546 -38.349 1.00 14.11 C +ATOM 369 C TRP B 56 10.072 -0.169 -39.525 1.00 14.77 C +ATOM 370 O TRP B 56 8.926 -0.582 -39.460 1.00 13.48 O +ATOM 371 CB TRP B 56 10.783 -0.393 -37.169 1.00 16.98 C +ATOM 372 CG TRP B 56 11.484 -1.653 -37.412 1.00 15.31 C +ATOM 373 CD1 TRP B 56 10.931 -2.804 -37.897 1.00 19.04 C +ATOM 374 CD2 TRP B 56 12.860 -1.935 -37.184 1.00 11.19 C +ATOM 375 NE1 TRP B 56 11.879 -3.753 -37.993 1.00 13.58 N +ATOM 376 CE2 TRP B 56 13.071 -3.260 -37.542 1.00 16.65 C +ATOM 377 CE3 TRP B 56 13.935 -1.186 -36.724 1.00 18.97 C +ATOM 378 CZ2 TRP B 56 14.319 -3.866 -37.483 1.00 17.33 C +ATOM 379 CZ3 TRP B 56 15.157 -1.791 -36.613 1.00 18.54 C +ATOM 380 CH2 TRP B 56 15.345 -3.124 -36.998 1.00 15.29 C +ATOM 381 N ASP B 57 10.782 -0.201 -40.647 1.00 13.92 N +ATOM 382 CA ASP B 57 10.437 -1.096 -41.738 1.00 11.69 C +ATOM 383 C ASP B 57 11.647 -1.436 -42.569 1.00 10.67 C +ATOM 384 O ASP B 57 12.679 -0.851 -42.407 1.00 10.56 O +ATOM 385 CB ASP B 57 9.233 -0.595 -42.564 1.00 20.17 C +ATOM 386 CG ASP B 57 9.543 0.569 -43.454 1.00 27.10 C +ATOM 387 OD1 ASP B 57 10.615 0.602 -44.097 1.00 22.59 O +ATOM 388 OD2 ASP B 57 8.645 1.412 -43.562 1.00 27.63 O +ATOM 389 N ASN B 58 11.538 -2.440 -43.405 1.00 13.53 N +ATOM 390 CA ASN B 58 12.684 -2.868 -44.160 1.00 16.62 C +ATOM 391 C ASN B 58 13.847 -3.139 -43.228 1.00 18.59 C +ATOM 392 O ASN B 58 15.015 -2.918 -43.558 1.00 16.04 O +ATOM 393 CB ASN B 58 13.035 -1.841 -45.258 1.00 17.64 C +ATOM 394 CG ASN B 58 12.134 -1.942 -46.423 1.00 14.85 C +ATOM 395 OD1 ASN B 58 12.382 -2.709 -47.338 1.00 18.97 O +ATOM 396 ND2 ASN B 58 11.005 -1.270 -46.340 1.00 14.35 N +ATOM 397 N ILE B 59 13.494 -3.673 -42.074 1.00 19.91 N +ATOM 398 CA ILE B 59 14.431 -3.992 -40.979 1.00 17.68 C +ATOM 399 C ILE B 59 15.410 -2.895 -40.708 1.00 17.69 C +ATOM 400 O ILE B 59 16.558 -3.126 -40.465 1.00 18.71 O +ATOM 401 CB ILE B 59 15.121 -5.411 -41.082 1.00 22.64 C +ATOM 402 CG1 ILE B 59 15.913 -5.604 -42.352 1.00 37.87 C +ATOM 403 CG2 ILE B 59 14.098 -6.517 -41.032 1.00 27.60 C +ATOM 404 CD1 ILE B 59 16.715 -6.905 -42.349 1.00 47.42 C +ATOM 405 N THR B 60 14.881 -1.675 -40.673 1.00 17.79 N +ATOM 406 CA THR B 60 15.649 -0.472 -40.550 1.00 15.27 C +ATOM 407 C THR B 60 14.914 0.486 -39.640 1.00 14.19 C +ATOM 408 O THR B 60 13.709 0.608 -39.733 1.00 16.32 O +ATOM 409 CB THR B 60 15.824 0.191 -41.975 1.00 14.71 C +ATOM 410 OG1 THR B 60 16.562 -0.702 -42.814 1.00 21.35 O +ATOM 411 CG2 THR B 60 16.574 1.521 -41.912 1.00 9.08 C +ATOM 412 N CYS B 61 15.649 1.139 -38.758 1.00 14.62 N +ATOM 413 CA CYS B 61 15.143 2.221 -37.963 1.00 14.96 C +ATOM 414 C CYS B 61 15.151 3.506 -38.761 1.00 13.75 C +ATOM 415 O CYS B 61 16.175 3.907 -39.287 1.00 18.21 O +ATOM 416 CB CYS B 61 16.037 2.418 -36.727 1.00 20.84 C +ATOM 417 SG CYS B 61 15.319 3.495 -35.454 1.00 20.21 S +ATOM 418 N TRP B 62 13.997 4.148 -38.820 1.00 13.45 N +ATOM 419 CA TRP B 62 13.827 5.426 -39.472 1.00 16.40 C +ATOM 420 C TRP B 62 13.551 6.458 -38.373 1.00 14.57 C +ATOM 421 O TRP B 62 12.451 6.521 -37.806 1.00 16.85 O +ATOM 422 CB TRP B 62 12.650 5.345 -40.460 1.00 15.28 C +ATOM 423 CG TRP B 62 12.826 4.270 -41.498 1.00 12.10 C +ATOM 424 CD1 TRP B 62 12.245 3.084 -41.511 1.00 10.63 C +ATOM 425 CD2 TRP B 62 13.684 4.311 -42.627 1.00 7.27 C +ATOM 426 NE1 TRP B 62 12.660 2.365 -42.572 1.00 14.57 N +ATOM 427 CE2 TRP B 62 13.533 3.120 -43.294 1.00 13.32 C +ATOM 428 CE3 TRP B 62 14.540 5.266 -43.138 1.00 13.76 C +ATOM 429 CZ2 TRP B 62 14.244 2.811 -44.446 1.00 16.14 C +ATOM 430 CZ3 TRP B 62 15.202 5.002 -44.269 1.00 14.19 C +ATOM 431 CH2 TRP B 62 15.086 3.758 -44.911 1.00 17.52 C +ATOM 432 N ARG B 63 14.585 7.190 -38.010 1.00 15.86 N +ATOM 433 CA ARG B 63 14.524 8.133 -36.938 1.00 15.86 C +ATOM 434 C ARG B 63 13.499 9.257 -37.138 1.00 18.22 C +ATOM 435 O ARG B 63 13.093 9.572 -38.253 1.00 20.12 O +ATOM 436 CB ARG B 63 15.937 8.672 -36.674 1.00 17.61 C +ATOM 437 CG ARG B 63 16.625 9.343 -37.861 1.00 28.75 C +ATOM 438 CD ARG B 63 16.405 10.805 -37.861 1.00 26.37 C +ATOM 439 NE ARG B 63 17.186 11.468 -38.901 1.00 24.08 N +ATOM 440 CZ ARG B 63 16.865 12.634 -39.433 1.00 22.97 C +ATOM 441 NH1 ARG B 63 15.755 13.264 -39.059 1.00 21.00 N +ATOM 442 NH2 ARG B 63 17.634 13.150 -40.364 1.00 25.42 N +ATOM 443 N PRO B 64 13.056 9.867 -36.049 1.00 17.98 N +ATOM 444 CA PRO B 64 12.065 10.906 -36.198 1.00 13.88 C +ATOM 445 C PRO B 64 12.586 12.008 -37.064 1.00 13.89 C +ATOM 446 O PRO B 64 13.757 12.265 -37.050 1.00 15.07 O +ATOM 447 CB PRO B 64 11.833 11.395 -34.759 1.00 16.90 C +ATOM 448 CG PRO B 64 12.177 10.213 -33.908 1.00 22.29 C +ATOM 449 CD PRO B 64 13.369 9.600 -34.640 1.00 25.67 C +ATOM 450 N ALA B 65 11.709 12.662 -37.812 1.00 17.06 N +ATOM 451 CA ALA B 65 12.171 13.540 -38.868 1.00 21.64 C +ATOM 452 C ALA B 65 11.210 14.676 -39.046 1.00 22.36 C +ATOM 453 O ALA B 65 10.064 14.578 -38.622 1.00 18.52 O +ATOM 454 CB ALA B 65 12.306 12.736 -40.176 1.00 16.44 C +ATOM 455 N ASN B 66 11.666 15.747 -39.695 1.00 15.65 N +ATOM 456 CA ASN B 66 10.764 16.815 -40.077 1.00 15.90 C +ATOM 457 C ASN B 66 10.442 16.823 -41.533 1.00 19.88 C +ATOM 458 O ASN B 66 11.137 16.227 -42.331 1.00 23.51 O +ATOM 459 CB ASN B 66 11.337 18.133 -39.648 1.00 23.40 C +ATOM 460 CG ASN B 66 11.160 18.354 -38.134 1.00 35.40 C +ATOM 461 OD1 ASN B 66 10.058 18.183 -37.554 1.00 28.62 O +ATOM 462 ND2 ASN B 66 12.235 18.697 -37.503 1.00 23.47 N +ATOM 463 N VAL B 67 9.366 17.502 -41.865 1.00 16.89 N +ATOM 464 CA VAL B 67 8.878 17.559 -43.224 1.00 18.05 C +ATOM 465 C VAL B 67 10.001 18.006 -44.143 1.00 19.47 C +ATOM 466 O VAL B 67 10.691 18.949 -43.855 1.00 21.60 O +ATOM 467 CB VAL B 67 7.688 18.531 -43.348 1.00 24.99 C +ATOM 468 CG1 VAL B 67 7.287 18.781 -44.839 1.00 21.15 C +ATOM 469 CG2 VAL B 67 6.492 17.992 -42.536 1.00 18.16 C +ATOM 470 N GLY B 68 10.148 17.330 -45.277 1.00 24.05 N +ATOM 471 CA GLY B 68 11.154 17.711 -46.282 1.00 22.28 C +ATOM 472 C GLY B 68 12.475 16.987 -46.124 1.00 25.72 C +ATOM 473 O GLY B 68 13.335 17.059 -46.989 1.00 25.61 O +ATOM 474 N GLU B 69 12.648 16.268 -45.022 1.00 25.19 N +ATOM 475 CA GLU B 69 13.878 15.505 -44.837 1.00 23.53 C +ATOM 476 C GLU B 69 13.798 14.168 -45.534 1.00 19.46 C +ATOM 477 O GLU B 69 12.753 13.548 -45.567 1.00 22.98 O +ATOM 478 CB GLU B 69 14.131 15.239 -43.366 1.00 25.69 C +ATOM 479 CG GLU B 69 14.555 16.407 -42.525 1.00 24.84 C +ATOM 480 CD GLU B 69 15.156 15.930 -41.216 1.00 25.07 C +ATOM 481 OE1 GLU B 69 16.352 15.616 -41.170 1.00 30.58 O +ATOM 482 OE2 GLU B 69 14.425 15.831 -40.225 1.00 26.31 O +ATOM 483 N THR B 70 14.923 13.718 -46.042 1.00 20.43 N +ATOM 484 CA THR B 70 15.065 12.377 -46.588 1.00 20.89 C +ATOM 485 C THR B 70 16.086 11.662 -45.700 1.00 23.41 C +ATOM 486 O THR B 70 17.157 12.181 -45.438 1.00 24.07 O +ATOM 487 CB THR B 70 15.514 12.390 -48.075 1.00 24.71 C +ATOM 488 OG1 THR B 70 14.494 12.992 -48.871 1.00 24.70 O +ATOM 489 CG2 THR B 70 15.759 10.975 -48.602 1.00 19.86 C +ATOM 490 N VAL B 71 15.724 10.500 -45.172 1.00 19.49 N +ATOM 491 CA VAL B 71 16.656 9.722 -44.384 1.00 15.74 C +ATOM 492 C VAL B 71 17.160 8.616 -45.289 1.00 17.03 C +ATOM 493 O VAL B 71 16.374 7.935 -45.924 1.00 16.55 O +ATOM 494 CB VAL B 71 15.944 9.134 -43.119 1.00 18.80 C +ATOM 495 CG1 VAL B 71 16.864 8.182 -42.331 1.00 18.22 C +ATOM 496 CG2 VAL B 71 15.429 10.230 -42.236 1.00 17.59 C +ATOM 497 N THR B 72 18.468 8.475 -45.402 1.00 17.55 N +ATOM 498 CA THR B 72 19.072 7.456 -46.255 1.00 17.54 C +ATOM 499 C THR B 72 20.056 6.680 -45.436 1.00 18.86 C +ATOM 500 O THR B 72 20.799 7.243 -44.659 1.00 26.47 O +ATOM 501 CB THR B 72 19.819 8.071 -47.464 1.00 21.45 C +ATOM 502 OG1 THR B 72 18.876 8.763 -48.263 1.00 19.53 O +ATOM 503 CG2 THR B 72 20.470 6.979 -48.352 1.00 28.42 C +ATOM 504 N VAL B 73 20.007 5.368 -45.553 1.00 19.85 N +ATOM 505 CA VAL B 73 20.940 4.534 -44.814 1.00 20.61 C +ATOM 506 C VAL B 73 21.428 3.407 -45.707 1.00 24.82 C +ATOM 507 O VAL B 73 20.751 3.032 -46.677 1.00 22.38 O +ATOM 508 CB VAL B 73 20.270 3.925 -43.567 1.00 26.45 C +ATOM 509 CG1 VAL B 73 19.796 5.025 -42.637 1.00 27.25 C +ATOM 510 CG2 VAL B 73 19.116 3.013 -43.980 1.00 22.19 C +ATOM 511 N PRO B 74 22.600 2.849 -45.380 1.00 25.43 N +ATOM 512 CA PRO B 74 23.004 1.646 -46.072 1.00 23.33 C +ATOM 513 C PRO B 74 22.045 0.470 -45.841 1.00 23.58 C +ATOM 514 O PRO B 74 21.313 0.428 -44.852 1.00 25.07 O +ATOM 515 CB PRO B 74 24.389 1.349 -45.497 1.00 27.10 C +ATOM 516 CG PRO B 74 24.504 2.163 -44.274 1.00 32.26 C +ATOM 517 CD PRO B 74 23.599 3.314 -44.410 1.00 25.89 C +ATOM 518 N CYS B 75 22.028 -0.471 -46.774 1.00 22.42 N +ATOM 519 CA CYS B 75 21.195 -1.644 -46.614 1.00 25.30 C +ATOM 520 C CYS B 75 21.608 -2.375 -45.324 1.00 23.87 C +ATOM 521 O CYS B 75 22.748 -2.288 -44.903 1.00 26.27 O +ATOM 522 CB CYS B 75 21.328 -2.556 -47.839 1.00 26.68 C +ATOM 523 SG CYS B 75 20.404 -1.964 -49.226 1.00 27.66 S +ATOM 524 N PRO B 76 20.674 -3.078 -44.692 1.00 20.94 N +ATOM 525 CA PRO B 76 21.000 -3.742 -43.443 1.00 22.43 C +ATOM 526 C PRO B 76 22.202 -4.658 -43.554 1.00 27.11 C +ATOM 527 O PRO B 76 22.214 -5.582 -44.377 1.00 27.19 O +ATOM 528 CB PRO B 76 19.765 -4.572 -43.155 1.00 29.77 C +ATOM 529 CG PRO B 76 18.672 -3.963 -43.905 1.00 27.77 C +ATOM 530 CD PRO B 76 19.254 -3.182 -45.032 1.00 23.98 C +ATOM 531 N LYS B 77 23.193 -4.368 -42.725 1.00 25.96 N +ATOM 532 CA LYS B 77 24.492 -5.032 -42.686 1.00 31.22 C +ATOM 533 C LYS B 77 24.397 -6.548 -42.370 1.00 29.12 C +ATOM 534 O LYS B 77 25.235 -7.338 -42.804 1.00 26.25 O +ATOM 535 CB LYS B 77 25.360 -4.340 -41.616 1.00 39.67 C +ATOM 536 CG LYS B 77 26.886 -4.467 -41.797 1.00 51.20 C +ATOM 537 CD LYS B 77 27.647 -3.846 -40.615 1.00 60.54 C +ATOM 538 N VAL B 78 23.369 -6.937 -41.631 1.00 23.88 N +ATOM 539 CA VAL B 78 23.159 -8.306 -41.268 1.00 19.23 C +ATOM 540 C VAL B 78 23.165 -9.212 -42.510 1.00 27.62 C +ATOM 541 O VAL B 78 23.657 -10.330 -42.451 1.00 33.64 O +ATOM 542 CB VAL B 78 21.876 -8.490 -40.469 1.00 26.11 C +ATOM 543 CG1 VAL B 78 20.667 -7.976 -41.256 1.00 20.12 C +ATOM 544 CG2 VAL B 78 21.691 -9.969 -40.081 1.00 19.47 C +ATOM 545 N PHE B 79 22.678 -8.716 -43.642 1.00 29.54 N +ATOM 546 CA PHE B 79 22.658 -9.504 -44.870 1.00 24.05 C +ATOM 547 C PHE B 79 23.725 -9.137 -45.903 1.00 22.71 C +ATOM 548 O PHE B 79 23.564 -9.453 -47.071 1.00 26.45 O +ATOM 549 CB PHE B 79 21.244 -9.475 -45.467 1.00 21.18 C +ATOM 550 CG PHE B 79 20.203 -10.080 -44.567 1.00 26.21 C +ATOM 551 CD1 PHE B 79 20.435 -11.283 -43.918 1.00 34.48 C +ATOM 552 CD2 PHE B 79 18.985 -9.461 -44.377 1.00 29.37 C +ATOM 553 CE1 PHE B 79 19.472 -11.837 -43.082 1.00 40.12 C +ATOM 554 CE2 PHE B 79 18.010 -10.023 -43.552 1.00 39.68 C +ATOM 555 CZ PHE B 79 18.256 -11.211 -42.912 1.00 30.57 C +ATOM 556 N SER B 80 24.836 -8.551 -45.460 1.00 21.46 N +ATOM 557 CA SER B 80 25.925 -8.119 -46.348 1.00 28.29 C +ATOM 558 C SER B 80 26.356 -9.193 -47.338 1.00 32.13 C +ATOM 559 O SER B 80 26.616 -8.905 -48.490 1.00 29.58 O +ATOM 560 CB SER B 80 27.177 -7.742 -45.553 1.00 32.76 C +ATOM 561 OG SER B 80 26.925 -6.755 -44.579 1.00 47.63 O +ATOM 562 N ASN B 81 26.455 -10.428 -46.870 1.00 36.05 N +ATOM 563 CA ASN B 81 26.925 -11.518 -47.707 1.00 34.60 C +ATOM 564 C ASN B 81 25.942 -11.939 -48.799 1.00 33.02 C +ATOM 565 O ASN B 81 26.305 -12.708 -49.689 1.00 29.32 O +ATOM 566 CB ASN B 81 27.294 -12.723 -46.836 1.00 38.27 C +ATOM 567 CG ASN B 81 28.459 -12.425 -45.874 1.00 54.64 C +ATOM 568 OD1 ASN B 81 29.101 -11.376 -45.953 1.00 65.37 O +ATOM 569 ND2 ASN B 81 28.717 -13.347 -44.957 1.00 57.21 N +ATOM 570 N PHE B 82 24.711 -11.442 -48.752 1.00 28.95 N +ATOM 571 CA PHE B 82 23.711 -11.810 -49.758 1.00 27.78 C +ATOM 572 C PHE B 82 23.454 -10.713 -50.788 1.00 21.45 C +ATOM 573 O PHE B 82 22.643 -10.899 -51.696 1.00 20.51 O +ATOM 574 CB PHE B 82 22.412 -12.242 -49.068 1.00 31.83 C +ATOM 575 CG PHE B 82 22.601 -13.386 -48.098 1.00 36.26 C +ATOM 576 CD1 PHE B 82 22.541 -14.703 -48.525 1.00 42.16 C +ATOM 577 CD2 PHE B 82 22.858 -13.138 -46.758 1.00 43.84 C +ATOM 578 CE1 PHE B 82 22.734 -15.759 -47.624 1.00 34.30 C +ATOM 579 CE2 PHE B 82 23.053 -14.181 -45.860 1.00 39.20 C +ATOM 580 CZ PHE B 82 22.989 -15.493 -46.295 1.00 48.84 C +ATOM 581 N TYR B 83 24.144 -9.580 -50.656 1.00 21.80 N +ATOM 582 CA TYR B 83 23.956 -8.449 -51.564 1.00 17.47 C +ATOM 583 C TYR B 83 24.837 -8.591 -52.807 1.00 26.05 C +ATOM 584 O TYR B 83 26.026 -8.878 -52.695 1.00 28.20 O +ATOM 585 CB TYR B 83 24.295 -7.148 -50.863 1.00 25.51 C +ATOM 586 CG TYR B 83 23.430 -6.839 -49.640 1.00 25.96 C +ATOM 587 CD1 TYR B 83 22.129 -7.308 -49.544 1.00 25.89 C +ATOM 588 CD2 TYR B 83 23.906 -6.056 -48.616 1.00 28.20 C +ATOM 589 CE1 TYR B 83 21.347 -7.019 -48.481 1.00 18.26 C +ATOM 590 CE2 TYR B 83 23.120 -5.777 -47.513 1.00 16.71 C +ATOM 591 CZ TYR B 83 21.845 -6.260 -47.462 1.00 18.14 C +ATOM 592 OH TYR B 83 21.047 -5.982 -46.388 1.00 26.51 O +ATOM 593 N SER B 84 24.244 -8.384 -53.984 1.00 24.34 N +ATOM 594 CA SER B 84 24.958 -8.462 -55.254 1.00 30.48 C +ATOM 595 C SER B 84 25.398 -7.083 -55.767 1.00 33.99 C +ATOM 596 O SER B 84 26.093 -7.014 -56.782 1.00 35.43 O +ATOM 597 CB SER B 84 24.084 -9.169 -56.308 1.00 27.28 C +ATOM 598 OG SER B 84 22.933 -8.394 -56.620 1.00 26.68 O +ATOM 599 N LYS B 85 24.995 -5.996 -55.093 1.00 35.68 N +ATOM 600 CA LYS B 85 25.438 -4.627 -55.471 1.00 39.13 C +ATOM 601 C LYS B 85 25.518 -3.644 -54.303 1.00 39.93 C +ATOM 602 O LYS B 85 24.911 -3.845 -53.265 1.00 30.36 O +ATOM 603 CB LYS B 85 24.548 -4.033 -56.576 1.00 43.16 C +ATOM 604 CG LYS B 85 23.083 -3.783 -56.195 1.00 40.78 C +ATOM 605 CD LYS B 85 22.228 -3.640 -57.467 1.00 55.37 C +ATOM 606 CE LYS B 85 20.785 -3.259 -57.152 1.00 56.20 C +ATOM 607 NZ LYS B 85 20.649 -1.840 -56.683 1.00 48.41 N +ATOM 608 N ALA B 86 26.296 -2.584 -54.475 1.00 42.38 N +ATOM 609 CA ALA B 86 26.395 -1.549 -53.452 1.00 45.51 C +ATOM 610 C ALA B 86 25.063 -0.813 -53.456 1.00 42.80 C +ATOM 611 O ALA B 86 24.547 -0.460 -54.518 1.00 39.71 O +ATOM 612 CB ALA B 86 27.551 -0.579 -53.765 1.00 49.46 C +ATOM 613 N GLY B 87 24.472 -0.600 -52.294 1.00 36.38 N +ATOM 614 CA GLY B 87 23.163 0.045 -52.299 1.00 37.20 C +ATOM 615 C GLY B 87 22.633 0.545 -50.980 1.00 31.57 C +ATOM 616 O GLY B 87 23.065 0.088 -49.910 1.00 38.97 O +ATOM 617 N ASN B 88 21.640 1.436 -51.081 1.00 19.06 N +ATOM 618 CA ASN B 88 21.111 2.118 -49.938 1.00 20.60 C +ATOM 619 C ASN B 88 19.605 2.256 -50.048 1.00 13.68 C +ATOM 620 O ASN B 88 19.037 2.068 -51.115 1.00 17.35 O +ATOM 621 CB ASN B 88 21.823 3.466 -49.717 1.00 16.85 C +ATOM 622 CG ASN B 88 22.148 4.166 -50.989 1.00 45.93 C +ATOM 623 OD1 ASN B 88 21.425 5.064 -51.431 1.00 58.50 O +ATOM 624 ND2 ASN B 88 23.255 3.770 -51.601 1.00 66.44 N +ATOM 625 N ILE B 89 18.966 2.515 -48.912 1.00 16.72 N +ATOM 626 CA ILE B 89 17.523 2.717 -48.851 1.00 16.36 C +ATOM 627 C ILE B 89 17.206 4.028 -48.177 1.00 13.74 C +ATOM 628 O ILE B 89 17.981 4.554 -47.382 1.00 16.41 O +ATOM 629 CB ILE B 89 16.745 1.543 -48.115 1.00 18.34 C +ATOM 630 CG1 ILE B 89 17.422 1.138 -46.859 1.00 20.50 C +ATOM 631 CG2 ILE B 89 16.689 0.296 -49.009 1.00 20.47 C +ATOM 632 CD1 ILE B 89 16.711 -0.019 -46.120 1.00 24.01 C +ATOM 633 N SER B 90 16.037 4.543 -48.520 1.00 11.87 N +ATOM 634 CA SER B 90 15.630 5.872 -48.121 1.00 17.35 C +ATOM 635 C SER B 90 14.172 5.953 -47.837 1.00 11.84 C +ATOM 636 O SER B 90 13.391 5.201 -48.384 1.00 15.36 O +ATOM 637 CB SER B 90 15.873 6.865 -49.274 1.00 18.77 C +ATOM 638 OG SER B 90 17.220 6.827 -49.674 1.00 24.87 O +ATOM 639 N LYS B 91 13.821 6.961 -47.062 1.00 13.61 N +ATOM 640 CA LYS B 91 12.451 7.280 -46.762 1.00 15.54 C +ATOM 641 C LYS B 91 12.361 8.785 -46.616 1.00 15.45 C +ATOM 642 O LYS B 91 13.276 9.389 -46.057 1.00 15.57 O +ATOM 643 CB LYS B 91 12.069 6.574 -45.465 1.00 17.32 C +ATOM 644 CG LYS B 91 10.709 6.018 -45.410 1.00 15.99 C +ATOM 645 CD LYS B 91 10.371 5.513 -44.015 1.00 17.54 C +ATOM 646 CE LYS B 91 9.531 4.274 -43.981 1.00 23.50 C +ATOM 647 NZ LYS B 91 8.644 4.019 -45.166 1.00 23.17 N +ATOM 648 N ASN B 92 11.292 9.383 -47.158 1.00 15.65 N +ATOM 649 CA ASN B 92 11.050 10.820 -47.093 1.00 18.43 C +ATOM 650 C ASN B 92 9.963 11.131 -46.077 1.00 17.18 C +ATOM 651 O ASN B 92 8.926 10.440 -46.025 1.00 19.61 O +ATOM 652 CB ASN B 92 10.541 11.366 -48.430 1.00 23.84 C +ATOM 653 CG ASN B 92 11.568 11.271 -49.550 1.00 31.78 C +ATOM 654 OD1 ASN B 92 12.748 11.571 -49.371 1.00 33.29 O +ATOM 655 ND2 ASN B 92 11.103 10.887 -50.738 1.00 31.36 N +ATOM 656 N CYS B 93 10.174 12.176 -45.296 1.00 15.08 N +ATOM 657 CA CYS B 93 9.168 12.650 -44.370 1.00 16.90 C +ATOM 658 C CYS B 93 8.393 13.748 -45.076 1.00 18.96 C +ATOM 659 O CYS B 93 8.987 14.751 -45.447 1.00 19.40 O +ATOM 660 CB CYS B 93 9.796 13.187 -43.081 1.00 18.17 C +ATOM 661 SG CYS B 93 8.636 13.931 -41.955 1.00 19.07 S +ATOM 662 N THR B 94 7.072 13.591 -45.208 1.00 19.41 N +ATOM 663 CA THR B 94 6.236 14.602 -45.860 1.00 23.72 C +ATOM 664 C THR B 94 5.249 15.232 -44.885 1.00 25.73 C +ATOM 665 O THR B 94 5.132 14.796 -43.757 1.00 26.13 O +ATOM 666 CB THR B 94 5.451 14.018 -47.051 1.00 22.17 C +ATOM 667 OG1 THR B 94 4.342 13.250 -46.590 1.00 18.24 O +ATOM 668 CG2 THR B 94 6.338 13.109 -47.955 1.00 17.25 C +ATOM 669 N SER B 95 4.501 16.223 -45.357 1.00 22.94 N +ATOM 670 CA SER B 95 3.441 16.864 -44.569 1.00 23.10 C +ATOM 671 C SER B 95 2.316 15.932 -44.255 1.00 26.61 C +ATOM 672 O SER B 95 1.525 16.229 -43.375 1.00 33.84 O +ATOM 673 CB SER B 95 2.863 18.063 -45.321 1.00 30.34 C +ATOM 674 OG SER B 95 2.413 17.629 -46.600 1.00 38.52 O +ATOM 675 N ASP B 96 2.228 14.789 -44.943 1.00 31.41 N +ATOM 676 CA ASP B 96 1.224 13.764 -44.611 1.00 24.90 C +ATOM 677 C ASP B 96 1.842 12.480 -44.098 1.00 25.40 C +ATOM 678 O ASP B 96 1.280 11.414 -44.240 1.00 23.34 O +ATOM 679 CB ASP B 96 0.324 13.498 -45.810 1.00 30.31 C +ATOM 680 CG ASP B 96 -0.639 14.646 -46.057 1.00 52.46 C +ATOM 681 OD1 ASP B 96 -0.185 15.768 -46.401 1.00 56.10 O +ATOM 682 OD2 ASP B 96 -1.856 14.426 -45.883 1.00 80.79 O +ATOM 683 N GLY B 97 2.987 12.582 -43.453 1.00 23.59 N +ATOM 684 CA GLY B 97 3.642 11.401 -42.899 1.00 22.39 C +ATOM 685 C GLY B 97 4.783 10.881 -43.783 1.00 18.83 C +ATOM 686 O GLY B 97 5.187 11.510 -44.744 1.00 21.16 O +ATOM 687 N TRP B 98 5.285 9.709 -43.443 1.00 14.34 N +ATOM 688 CA TRP B 98 6.388 9.126 -44.138 1.00 17.03 C +ATOM 689 C TRP B 98 5.929 8.583 -45.480 1.00 16.32 C +ATOM 690 O TRP B 98 4.854 7.978 -45.578 1.00 21.01 O +ATOM 691 CB TRP B 98 6.899 7.911 -43.367 1.00 18.65 C +ATOM 692 CG TRP B 98 7.759 8.190 -42.151 1.00 21.95 C +ATOM 693 CD1 TRP B 98 7.391 8.027 -40.859 1.00 13.81 C +ATOM 694 CD2 TRP B 98 9.110 8.636 -42.125 1.00 13.43 C +ATOM 695 NE1 TRP B 98 8.420 8.328 -40.040 1.00 18.26 N +ATOM 696 CE2 TRP B 98 9.488 8.722 -40.784 1.00 14.26 C +ATOM 697 CE3 TRP B 98 10.033 9.031 -43.109 1.00 15.08 C +ATOM 698 CZ2 TRP B 98 10.760 9.112 -40.391 1.00 19.66 C +ATOM 699 CZ3 TRP B 98 11.272 9.405 -42.724 1.00 16.28 C +ATOM 700 CH2 TRP B 98 11.639 9.448 -41.371 1.00 17.11 C +ATOM 701 N SER B 99 6.790 8.698 -46.464 1.00 17.16 N +ATOM 702 CA SER B 99 6.624 7.986 -47.707 1.00 21.11 C +ATOM 703 C SER B 99 6.890 6.527 -47.460 1.00 15.97 C +ATOM 704 O SER B 99 7.516 6.158 -46.488 1.00 22.55 O +ATOM 705 CB SER B 99 7.652 8.475 -48.757 1.00 19.10 C +ATOM 706 OG SER B 99 8.967 8.018 -48.412 1.00 23.88 O +ATOM 707 N GLU B 100 6.442 5.716 -48.403 1.00 16.96 N +ATOM 708 CA GLU B 100 6.842 4.353 -48.528 1.00 18.78 C +ATOM 709 C GLU B 100 8.325 4.318 -48.757 1.00 17.12 C +ATOM 710 O GLU B 100 8.888 5.197 -49.389 1.00 9.72 O +ATOM 711 CB GLU B 100 6.112 3.749 -49.748 1.00 22.03 C +ATOM 712 CG GLU B 100 6.518 2.376 -50.190 1.00 47.89 C +ATOM 713 CD GLU B 100 5.719 1.905 -51.427 1.00 67.33 C +ATOM 714 OE1 GLU B 100 5.868 2.486 -52.549 1.00 39.36 O +ATOM 715 OE2 GLU B 100 4.941 0.943 -51.255 1.00 49.09 O +ATOM 716 N THR B 101 8.957 3.270 -48.264 1.00 12.66 N +ATOM 717 CA THR B 101 10.360 3.016 -48.513 1.00 14.79 C +ATOM 718 C THR B 101 10.427 2.439 -49.890 1.00 15.21 C +ATOM 719 O THR B 101 9.885 1.354 -50.155 1.00 21.90 O +ATOM 720 CB THR B 101 10.934 2.023 -47.452 1.00 23.18 C +ATOM 721 OG1 THR B 101 10.620 2.514 -46.138 1.00 21.77 O +ATOM 722 CG2 THR B 101 12.415 1.862 -47.612 1.00 15.77 C +ATOM 723 N PHE B 102 11.050 3.182 -50.794 1.00 17.76 N +ATOM 724 CA PHE B 102 11.118 2.821 -52.213 1.00 25.71 C +ATOM 725 C PHE B 102 12.379 3.471 -52.800 1.00 24.04 C +ATOM 726 O PHE B 102 12.574 4.654 -52.603 1.00 34.52 O +ATOM 727 CB PHE B 102 9.859 3.270 -53.012 1.00 23.33 C +ATOM 728 CG PHE B 102 9.803 2.683 -54.427 1.00 18.42 C +ATOM 729 CD1 PHE B 102 9.499 1.334 -54.629 1.00 27.39 C +ATOM 730 CD2 PHE B 102 10.100 3.470 -55.537 1.00 21.56 C +ATOM 731 CE1 PHE B 102 9.476 0.773 -55.911 1.00 22.49 C +ATOM 732 CE2 PHE B 102 10.076 2.934 -56.820 1.00 19.02 C +ATOM 733 CZ PHE B 102 9.763 1.579 -57.013 1.00 35.57 C +ATOM 734 N PRO B 103 13.268 2.677 -53.421 1.00 23.34 N +ATOM 735 CA PRO B 103 13.199 1.213 -53.535 1.00 22.76 C +ATOM 736 C PRO B 103 13.313 0.506 -52.164 1.00 15.03 C +ATOM 737 O PRO B 103 13.809 1.056 -51.212 1.00 18.28 O +ATOM 738 CB PRO B 103 14.373 0.882 -54.454 1.00 25.66 C +ATOM 739 CG PRO B 103 15.333 1.942 -54.199 1.00 31.58 C +ATOM 740 CD PRO B 103 14.546 3.188 -53.935 1.00 30.91 C +ATOM 741 N ASP B 104 12.787 -0.691 -52.052 1.00 21.52 N +ATOM 742 CA ASP B 104 12.773 -1.332 -50.774 1.00 18.94 C +ATOM 743 C ASP B 104 14.027 -2.161 -50.740 1.00 15.61 C +ATOM 744 O ASP B 104 14.794 -2.216 -51.702 1.00 14.13 O +ATOM 745 CB ASP B 104 11.507 -2.201 -50.626 1.00 26.69 C +ATOM 746 CG ASP B 104 11.591 -3.511 -51.422 1.00 37.38 C +ATOM 747 OD1 ASP B 104 12.288 -3.572 -52.464 1.00 59.37 O +ATOM 748 OD2 ASP B 104 10.954 -4.486 -51.001 1.00 55.33 O +ATOM 749 N PHE B 105 14.167 -2.878 -49.650 1.00 16.74 N +ATOM 750 CA PHE B 105 15.332 -3.622 -49.327 1.00 22.09 C +ATOM 751 C PHE B 105 15.930 -4.484 -50.445 1.00 26.10 C +ATOM 752 O PHE B 105 17.130 -4.421 -50.702 1.00 27.36 O +ATOM 753 CB PHE B 105 14.956 -4.502 -48.121 1.00 32.46 C +ATOM 754 CG PHE B 105 15.960 -5.523 -47.797 1.00 22.09 C +ATOM 755 CD1 PHE B 105 17.061 -5.185 -47.075 1.00 34.02 C +ATOM 756 CD2 PHE B 105 15.805 -6.816 -48.234 1.00 36.00 C +ATOM 757 CE1 PHE B 105 18.006 -6.126 -46.784 1.00 42.37 C +ATOM 758 CE2 PHE B 105 16.740 -7.767 -47.945 1.00 41.40 C +ATOM 759 CZ PHE B 105 17.839 -7.422 -47.211 1.00 40.47 C +ATOM 760 N VAL B 106 15.119 -5.295 -51.105 1.00 19.50 N +ATOM 761 CA VAL B 106 15.665 -6.361 -51.887 1.00 31.30 C +ATOM 762 C VAL B 106 16.131 -5.793 -53.199 1.00 38.13 C +ATOM 763 O VAL B 106 17.152 -6.236 -53.740 1.00 39.87 O +ATOM 764 CB VAL B 106 14.620 -7.469 -52.145 1.00 37.63 C +ATOM 765 CG1 VAL B 106 15.195 -8.541 -53.073 1.00 27.62 C +ATOM 766 CG2 VAL B 106 14.165 -8.081 -50.826 1.00 47.76 C +ATOM 767 N ASP B 107 15.339 -4.847 -53.710 1.00 35.78 N +ATOM 768 CA ASP B 107 15.666 -4.070 -54.918 1.00 34.55 C +ATOM 769 C ASP B 107 16.882 -3.170 -54.721 1.00 22.45 C +ATOM 770 O ASP B 107 17.816 -3.219 -55.485 1.00 26.63 O +ATOM 771 CB ASP B 107 14.475 -3.209 -55.322 1.00 31.54 C +ATOM 772 CG ASP B 107 13.319 -4.030 -55.841 1.00 54.95 C +ATOM 773 OD1 ASP B 107 13.364 -5.276 -55.714 1.00 63.22 O +ATOM 774 OD2 ASP B 107 12.368 -3.428 -56.380 1.00 85.84 O +ATOM 775 N ALA B 108 16.869 -2.370 -53.677 1.00 14.10 N +ATOM 776 CA ALA B 108 17.960 -1.450 -53.449 1.00 25.53 C +ATOM 777 C ALA B 108 19.257 -2.204 -53.215 1.00 36.44 C +ATOM 778 O ALA B 108 20.311 -1.776 -53.666 1.00 44.82 O +ATOM 779 CB ALA B 108 17.670 -0.580 -52.285 1.00 18.06 C +ATOM 780 N CYS B 109 19.164 -3.344 -52.544 1.00 36.60 N +ATOM 781 CA CYS B 109 20.329 -3.972 -51.923 1.00 38.92 C +ATOM 782 C CYS B 109 20.886 -5.099 -52.749 1.00 37.57 C +ATOM 783 O CYS B 109 21.949 -5.603 -52.440 1.00 41.13 O +ATOM 784 CB CYS B 109 19.942 -4.521 -50.544 1.00 41.63 C +ATOM 785 SG CYS B 109 19.047 -3.347 -49.487 1.00 43.69 S +ATOM 786 N GLY B 110 20.149 -5.499 -53.787 1.00 36.00 N +ATOM 787 CA GLY B 110 20.442 -6.684 -54.560 1.00 30.98 C +ATOM 788 C GLY B 110 20.459 -7.958 -53.723 1.00 29.77 C +ATOM 789 O GLY B 110 21.297 -8.830 -53.943 1.00 24.00 O +ATOM 790 N TYR B 111 19.539 -8.089 -52.772 1.00 23.77 N +ATOM 791 CA TYR B 111 19.521 -9.298 -51.951 1.00 25.39 C +ATOM 792 C TYR B 111 19.202 -10.502 -52.794 1.00 27.12 C +ATOM 793 O TYR B 111 18.277 -10.467 -53.588 1.00 29.65 O +ATOM 794 CB TYR B 111 18.481 -9.224 -50.834 1.00 31.24 C +ATOM 795 CG TYR B 111 18.351 -10.511 -50.005 1.00 17.20 C +ATOM 796 CD1 TYR B 111 19.093 -10.678 -48.841 1.00 23.66 C +ATOM 797 CD2 TYR B 111 17.472 -11.527 -50.374 1.00 25.63 C +ATOM 798 CE1 TYR B 111 18.982 -11.813 -48.076 1.00 20.71 C +ATOM 799 CE2 TYR B 111 17.351 -12.683 -49.602 1.00 30.87 C +ATOM 800 CZ TYR B 111 18.114 -12.812 -48.450 1.00 28.63 C +ATOM 801 OH TYR B 111 18.046 -13.943 -47.670 1.00 30.36 O +ATOM 802 N SER B 112 19.943 -11.582 -52.560 1.00 33.77 N +ATOM 803 CA SER B 112 19.750 -12.837 -53.261 1.00 37.17 C +ATOM 804 C SER B 112 20.094 -14.003 -52.347 1.00 41.60 C +ATOM 805 O SER B 112 21.086 -13.946 -51.624 1.00 40.49 O +ATOM 806 CB SER B 112 20.664 -12.875 -54.485 1.00 36.62 C +ATOM 807 OG SER B 112 20.530 -14.110 -55.145 1.00 44.19 O +ATOM 808 N ASP B 113 19.295 -15.063 -52.380 1.00 47.75 N +ATOM 809 CA ASP B 113 19.680 -16.296 -51.691 1.00 58.34 C +ATOM 810 C ASP B 113 19.229 -17.572 -52.421 1.00 63.74 C +ATOM 811 O ASP B 113 18.108 -18.034 -52.203 1.00 65.83 O +ATOM 812 CB ASP B 113 19.138 -16.285 -50.260 1.00 59.20 C +ATOM 813 CG ASP B 113 19.551 -17.519 -49.466 1.00 67.59 C +ATOM 814 OD1 ASP B 113 20.642 -18.083 -49.741 1.00 67.42 O +ATOM 815 OD2 ASP B 113 18.774 -17.918 -48.569 1.00 53.31 O +ATOM 816 N PRO B 114 20.103 -18.150 -53.281 1.00 71.98 N +ATOM 817 CA PRO B 114 19.804 -19.437 -53.938 1.00 71.78 C +ATOM 818 C PRO B 114 20.416 -20.640 -53.207 1.00 68.66 C +ATOM 819 O PRO B 114 20.030 -20.938 -52.075 1.00 66.43 O +ATOM 820 CB PRO B 114 20.432 -19.270 -55.328 1.00 71.38 C +ATOM 821 CG PRO B 114 21.549 -18.246 -55.140 1.00 73.73 C +ATOM 822 CD PRO B 114 21.370 -17.581 -53.784 1.00 72.25 C Added: SwiftApps/modFTdock/input/2x57-4.pdb =================================================================== --- SwiftApps/modFTdock/input/2x57-4.pdb (rev 0) +++ SwiftApps/modFTdock/input/2x57-4.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,796 @@ +ATOM 1 N GLY C -13 10.928 -9.395 1.473 1.00 58.04 N +ATOM 2 CA GLY C -13 9.829 -8.449 1.112 1.00 59.52 C +ATOM 3 C GLY C -13 10.021 -7.862 -0.277 1.00 58.74 C +ATOM 4 O GLY C -13 9.316 -8.231 -1.225 1.00 59.46 O +ATOM 5 N VAL C -12 10.959 -6.921 -0.393 1.00 56.36 N +ATOM 6 CA VAL C -12 11.428 -6.457 -1.704 1.00 52.44 C +ATOM 7 C VAL C -12 12.423 -7.488 -2.231 1.00 47.45 C +ATOM 8 O VAL C -12 12.311 -7.956 -3.358 1.00 46.17 O +ATOM 9 CB VAL C -12 12.118 -5.068 -1.637 1.00 49.71 C +ATOM 10 CG1 VAL C -12 12.657 -4.680 -3.022 1.00 45.89 C +ATOM 11 CG2 VAL C -12 11.153 -4.015 -1.116 1.00 44.65 C +ATOM 12 N ASP C -11 13.376 -7.847 -1.376 1.00 42.49 N +ATOM 13 CA ASP C -11 14.362 -8.865 -1.669 1.00 40.56 C +ATOM 14 C ASP C -11 13.671 -10.152 -2.067 1.00 36.04 C +ATOM 15 O ASP C -11 14.129 -10.848 -2.964 1.00 36.19 O +ATOM 16 CB ASP C -11 15.251 -9.103 -0.445 1.00 44.54 C +ATOM 17 CG ASP C -11 16.680 -9.405 -0.816 1.00 56.74 C +ATOM 18 OD1 ASP C -11 17.114 -10.557 -0.619 1.00 77.82 O +ATOM 19 OD2 ASP C -11 17.370 -8.486 -1.303 1.00 65.10 O +ATOM 20 N LEU C -10 12.557 -10.455 -1.402 1.00 38.58 N +ATOM 21 CA LEU C -10 11.762 -11.655 -1.701 1.00 37.70 C +ATOM 22 C LEU C -10 10.499 -11.419 -2.609 1.00 34.88 C +ATOM 23 O LEU C -10 9.903 -12.395 -3.088 1.00 35.04 O +ATOM 24 CB LEU C -10 11.394 -12.353 -0.383 1.00 42.28 C +ATOM 25 CG LEU C -10 12.610 -12.865 0.410 1.00 44.88 C +ATOM 26 CD1 LEU C -10 12.251 -13.091 1.872 1.00 42.24 C +ATOM 27 CD2 LEU C -10 13.195 -14.130 -0.228 1.00 40.56 C +ATOM 28 N GLY C -9 10.117 -10.154 -2.866 1.00 22.35 N +ATOM 29 CA GLY C -9 9.045 -9.810 -3.838 1.00 16.67 C +ATOM 30 C GLY C -9 9.210 -10.494 -5.178 1.00 14.07 C +ATOM 31 O GLY C -9 10.340 -10.805 -5.577 1.00 8.91 O +ATOM 32 N THR C -8 8.114 -10.734 -5.904 1.00 8.73 N +ATOM 33 CA THR C -8 8.219 -11.561 -7.114 1.00 6.54 C +ATOM 34 C THR C -8 8.823 -10.797 -8.307 1.00 4.82 C +ATOM 35 O THR C -8 9.320 -11.424 -9.250 1.00 9.06 O +ATOM 36 CB THR C -8 6.843 -12.207 -7.537 1.00 10.79 C +ATOM 37 OG1 THR C -8 5.814 -11.221 -7.420 1.00 12.12 O +ATOM 38 CG2 THR C -8 6.499 -13.496 -6.619 1.00 12.52 C +ATOM 39 N GLU C -7 8.762 -9.468 -8.296 1.00 4.93 N +ATOM 40 CA GLU C -7 9.382 -8.724 -9.389 1.00 9.68 C +ATOM 41 C GLU C -7 10.892 -8.987 -9.380 1.00 6.16 C +ATOM 42 O GLU C -7 11.475 -9.351 -10.380 1.00 7.26 O +ATOM 43 CB GLU C -7 9.087 -7.229 -9.258 1.00 15.86 C +ATOM 44 CG GLU C -7 8.529 -6.659 -10.505 1.00 24.53 C +ATOM 45 CD GLU C -7 8.397 -5.167 -10.473 1.00 19.70 C +ATOM 46 OE1 GLU C -7 7.793 -4.667 -9.542 1.00 13.42 O +ATOM 47 OE2 GLU C -7 8.942 -4.500 -11.380 1.00 19.95 O +ATOM 48 N ASN C -6 11.501 -8.822 -8.212 1.00 7.68 N +ATOM 49 CA ASN C -6 12.890 -9.190 -8.027 1.00 5.02 C +ATOM 50 C ASN C -6 13.136 -10.671 -8.267 1.00 8.59 C +ATOM 51 O ASN C -6 14.101 -11.041 -8.938 1.00 8.53 O +ATOM 52 CB ASN C -6 13.393 -8.802 -6.640 1.00 4.11 C +ATOM 53 CG ASN C -6 14.883 -9.068 -6.497 1.00 13.01 C +ATOM 54 OD1 ASN C -6 15.682 -8.577 -7.292 1.00 7.05 O +ATOM 55 ND2 ASN C -6 15.248 -9.909 -5.541 1.00 8.94 N +ATOM 56 N LEU C -5 12.271 -11.529 -7.743 1.00 9.33 N +ATOM 57 CA LEU C -5 12.497 -12.970 -7.931 1.00 11.39 C +ATOM 58 C LEU C -5 12.478 -13.359 -9.391 1.00 9.99 C +ATOM 59 O LEU C -5 13.322 -14.168 -9.826 1.00 13.09 O +ATOM 60 CB LEU C -5 11.509 -13.838 -7.117 1.00 13.53 C +ATOM 61 CG LEU C -5 11.742 -13.938 -5.605 1.00 30.40 C +ATOM 62 CD1 LEU C -5 10.827 -14.991 -5.024 1.00 25.50 C +ATOM 63 CD2 LEU C -5 13.198 -14.244 -5.237 1.00 25.84 C +ATOM 64 N TYR C -4 11.594 -12.761 -10.194 1.00 18.71 N +ATOM 65 CA TYR C -4 11.618 -13.077 -11.658 1.00 18.32 C +ATOM 66 C TYR C -4 12.910 -12.583 -12.317 1.00 11.51 C +ATOM 67 O TYR C -4 13.541 -13.277 -13.097 1.00 10.77 O +ATOM 68 CB TYR C -4 10.396 -12.480 -12.389 1.00 24.00 C +ATOM 69 CG TYR C -4 10.234 -12.922 -13.847 1.00 37.89 C +ATOM 70 CD1 TYR C -4 10.787 -14.150 -14.313 1.00 32.67 C +ATOM 71 CD2 TYR C -4 9.499 -12.143 -14.758 1.00 32.03 C +ATOM 72 CE1 TYR C -4 10.629 -14.571 -15.637 1.00 38.95 C +ATOM 73 CE2 TYR C -4 9.345 -12.552 -16.116 1.00 25.79 C +ATOM 74 CZ TYR C -4 9.887 -13.778 -16.531 1.00 55.64 C +ATOM 75 OH TYR C -4 9.728 -14.199 -17.837 1.00 43.64 O +ATOM 76 N PHE C -3 13.296 -11.363 -11.993 1.00 11.00 N +ATOM 77 CA PHE C -3 14.524 -10.807 -12.498 1.00 13.11 C +ATOM 78 C PHE C -3 15.686 -11.686 -12.126 1.00 15.50 C +ATOM 79 O PHE C -3 16.520 -12.024 -12.982 1.00 14.84 O +ATOM 80 CB PHE C -3 14.754 -9.395 -11.948 1.00 13.40 C +ATOM 81 CG PHE C -3 16.148 -8.902 -12.174 1.00 10.54 C +ATOM 82 CD1 PHE C -3 16.546 -8.476 -13.430 1.00 16.68 C +ATOM 83 CD2 PHE C -3 17.046 -8.869 -11.164 1.00 10.32 C +ATOM 84 CE1 PHE C -3 17.830 -8.026 -13.654 1.00 13.72 C +ATOM 85 CE2 PHE C -3 18.327 -8.399 -11.358 1.00 15.27 C +ATOM 86 CZ PHE C -3 18.729 -7.998 -12.625 1.00 17.70 C +ATOM 87 N GLN C -2 15.762 -12.107 -10.872 1.00 14.48 N +ATOM 88 CA GLN C -2 16.972 -12.867 -10.457 1.00 12.62 C +ATOM 89 C GLN C -2 17.051 -14.146 -11.249 1.00 16.45 C +ATOM 90 O GLN C -2 18.117 -14.538 -11.725 1.00 19.00 O +ATOM 91 CB GLN C -2 17.013 -13.167 -8.956 1.00 15.11 C +ATOM 92 CG GLN C -2 17.008 -11.933 -8.053 1.00 12.64 C +ATOM 93 CD GLN C -2 18.304 -11.160 -8.097 1.00 19.16 C +ATOM 94 OE1 GLN C -2 19.319 -11.701 -8.499 1.00 21.78 O +ATOM 95 NE2 GLN C -2 18.267 -9.876 -7.710 1.00 12.14 N +ATOM 96 N SER C -1 15.918 -14.769 -11.477 1.00 14.54 N +ATOM 97 CA SER C -1 15.917 -15.982 -12.332 1.00 20.72 C +ATOM 98 C SER C -1 16.247 -15.770 -13.828 1.00 21.59 C +ATOM 99 O SER C -1 16.595 -16.702 -14.544 1.00 24.66 O +ATOM 100 CB SER C -1 14.551 -16.648 -12.250 1.00 21.94 C +ATOM 101 OG SER C -1 13.702 -16.031 -13.194 1.00 33.31 O +ATOM 110 N ARG C 26 18.585 -13.535 -14.812 1.00 16.38 N +ATOM 111 CA ARG C 26 19.891 -12.917 -14.938 1.00 17.47 C +ATOM 112 C ARG C 26 20.811 -13.679 -15.881 1.00 22.66 C +ATOM 113 O ARG C 26 21.585 -13.080 -16.613 1.00 21.35 O +ATOM 114 CB ARG C 26 20.550 -12.714 -13.553 1.00 14.44 C +ATOM 115 CG ARG C 26 19.990 -11.482 -12.826 1.00 16.73 C +ATOM 116 CD ARG C 26 20.440 -11.431 -11.395 1.00 19.33 C +ATOM 117 NE ARG C 26 21.847 -11.091 -11.303 1.00 21.42 N +ATOM 118 CZ ARG C 26 22.559 -11.103 -10.182 1.00 22.78 C +ATOM 119 NH1 ARG C 26 22.008 -11.430 -9.022 1.00 24.73 N +ATOM 120 NH2 ARG C 26 23.856 -10.814 -10.224 1.00 29.81 N +ATOM 121 N PHE C 27 20.723 -14.998 -15.843 1.00 20.61 N +ATOM 122 CA PHE C 27 21.628 -15.846 -16.577 1.00 22.89 C +ATOM 123 C PHE C 27 21.328 -15.670 -18.035 1.00 20.90 C +ATOM 124 O PHE C 27 22.215 -15.413 -18.829 1.00 25.76 O +ATOM 125 CB PHE C 27 21.441 -17.324 -16.174 1.00 32.55 C +ATOM 126 CG PHE C 27 21.802 -17.631 -14.718 1.00 39.19 C +ATOM 127 CD1 PHE C 27 22.998 -17.162 -14.158 1.00 47.30 C +ATOM 128 CD2 PHE C 27 20.933 -18.393 -13.903 1.00 57.85 C +ATOM 129 CE1 PHE C 27 23.329 -17.440 -12.818 1.00 45.21 C +ATOM 130 CE2 PHE C 27 21.267 -18.694 -12.566 1.00 53.79 C +ATOM 131 CZ PHE C 27 22.462 -18.217 -12.026 1.00 57.83 C +ATOM 132 N HIS C 28 20.062 -15.793 -18.382 1.00 15.50 N +ATOM 133 CA HIS C 28 19.618 -15.595 -19.739 1.00 18.66 C +ATOM 134 C HIS C 28 19.969 -14.202 -20.264 1.00 21.92 C +ATOM 135 O HIS C 28 20.460 -14.065 -21.380 1.00 22.95 O +ATOM 136 CB HIS C 28 18.119 -15.831 -19.851 1.00 21.01 C +ATOM 137 CG HIS C 28 17.533 -15.339 -21.138 1.00 24.90 C +ATOM 138 ND1 HIS C 28 17.693 -16.010 -22.332 1.00 37.12 N +ATOM 139 CD2 HIS C 28 16.798 -14.236 -21.417 1.00 40.53 C +ATOM 140 CE1 HIS C 28 17.076 -15.341 -23.292 1.00 48.60 C +ATOM 141 NE2 HIS C 28 16.532 -14.257 -22.765 1.00 38.84 N +ATOM 142 N LEU C 29 19.769 -13.175 -19.454 1.00 20.34 N +ATOM 143 CA LEU C 29 20.076 -11.830 -19.908 1.00 18.63 C +ATOM 144 C LEU C 29 21.573 -11.636 -20.127 1.00 16.12 C +ATOM 145 O LEU C 29 21.955 -10.966 -21.052 1.00 19.74 O +ATOM 146 CB LEU C 29 19.588 -10.792 -18.916 1.00 24.05 C +ATOM 147 CG LEU C 29 18.087 -10.667 -18.647 1.00 23.15 C +ATOM 148 CD1 LEU C 29 17.922 -10.036 -17.250 1.00 25.61 C +ATOM 149 CD2 LEU C 29 17.374 -9.851 -19.723 1.00 24.91 C +ATOM 150 N GLU C 30 22.419 -12.164 -19.254 1.00 15.16 N +ATOM 151 CA GLU C 30 23.827 -11.945 -19.393 1.00 17.07 C +ATOM 152 C GLU C 30 24.394 -12.783 -20.581 1.00 21.29 C +ATOM 153 O GLU C 30 25.202 -12.312 -21.378 1.00 21.46 O +ATOM 154 CB GLU C 30 24.541 -12.293 -18.097 1.00 19.59 C +ATOM 155 CG GLU C 30 24.236 -11.316 -16.944 1.00 26.66 C +ATOM 156 CD GLU C 30 24.855 -11.745 -15.618 1.00 28.88 C +ATOM 157 OE1 GLU C 30 26.083 -11.960 -15.571 1.00 36.02 O +ATOM 158 OE2 GLU C 30 24.121 -11.864 -14.608 1.00 34.71 O +ATOM 159 N ILE C 31 23.977 -14.024 -20.710 1.00 19.48 N +ATOM 160 CA ILE C 31 24.450 -14.824 -21.841 1.00 22.59 C +ATOM 161 C ILE C 31 23.943 -14.243 -23.190 1.00 22.97 C +ATOM 162 O ILE C 31 24.709 -14.123 -24.169 1.00 19.18 O +ATOM 163 CB ILE C 31 24.082 -16.292 -21.668 1.00 19.33 C +ATOM 164 CG1 ILE C 31 24.834 -16.881 -20.472 1.00 25.51 C +ATOM 165 CG2 ILE C 31 24.459 -17.107 -22.914 1.00 23.88 C +ATOM 166 CD1 ILE C 31 24.110 -18.063 -19.830 1.00 29.32 C +ATOM 167 N GLN C 32 22.676 -13.858 -23.239 1.00 19.17 N +ATOM 168 CA GLN C 32 22.144 -13.250 -24.445 1.00 18.30 C +ATOM 169 C GLN C 32 22.917 -11.993 -24.789 1.00 18.22 C +ATOM 170 O GLN C 32 23.223 -11.725 -25.969 1.00 20.36 O +ATOM 171 CB GLN C 32 20.653 -12.954 -24.307 1.00 22.06 C +ATOM 172 CG GLN C 32 20.038 -12.266 -25.551 1.00 41.30 C +ATOM 173 CD GLN C 32 18.610 -11.762 -25.317 1.00 55.66 C +ATOM 174 OE1 GLN C 32 18.355 -10.936 -24.430 1.00 53.59 O +ATOM 175 NE2 GLN C 32 17.681 -12.256 -26.114 1.00 35.99 N +ATOM 176 N GLU C 33 23.282 -11.193 -23.801 1.00 16.68 N +ATOM 177 CA GLU C 33 24.041 -9.985 -24.160 1.00 15.34 C +ATOM 178 C GLU C 33 25.399 -10.402 -24.743 1.00 17.73 C +ATOM 179 O GLU C 33 25.936 -9.760 -25.587 1.00 14.86 O +ATOM 180 CB GLU C 33 24.300 -9.133 -22.916 1.00 22.62 C +ATOM 181 CG GLU C 33 25.149 -7.896 -23.144 1.00 31.78 C +ATOM 182 CD GLU C 33 24.466 -6.890 -24.082 1.00 51.02 C +ATOM 183 OE1 GLU C 33 23.305 -7.134 -24.529 1.00 45.39 O +ATOM 184 OE2 GLU C 33 25.097 -5.849 -24.367 1.00 90.10 O +ATOM 185 N GLU C 34 25.962 -11.480 -24.244 1.00 14.56 N +ATOM 186 CA GLU C 34 27.284 -11.934 -24.692 1.00 19.82 C +ATOM 187 C GLU C 34 27.208 -12.546 -26.095 1.00 14.86 C +ATOM 188 O GLU C 34 28.113 -12.393 -26.924 1.00 13.89 O +ATOM 189 CB GLU C 34 27.792 -12.956 -23.685 1.00 20.76 C +ATOM 190 CG GLU C 34 29.261 -12.972 -23.458 1.00 42.47 C +ATOM 191 CD GLU C 34 29.791 -11.666 -22.931 1.00 48.26 C +ATOM 192 OE1 GLU C 34 29.305 -11.212 -21.883 1.00 56.05 O +ATOM 193 OE2 GLU C 34 30.691 -11.094 -23.573 1.00 45.83 O +ATOM 194 N GLU C 35 26.121 -13.236 -26.366 1.00 12.84 N +ATOM 195 CA GLU C 35 25.865 -13.753 -27.684 1.00 14.31 C +ATOM 196 C GLU C 35 25.660 -12.635 -28.698 1.00 18.93 C +ATOM 197 O GLU C 35 26.145 -12.718 -29.815 1.00 17.30 O +ATOM 198 CB GLU C 35 24.651 -14.636 -27.673 1.00 15.70 C +ATOM 199 CG GLU C 35 24.902 -16.002 -27.040 1.00 19.72 C +ATOM 200 CD GLU C 35 23.608 -16.850 -26.959 1.00 29.90 C +ATOM 201 OE1 GLU C 35 22.519 -16.280 -26.743 1.00 39.52 O +ATOM 202 OE2 GLU C 35 23.698 -18.084 -27.097 1.00 54.33 O +ATOM 203 N THR C 36 24.957 -11.585 -28.292 1.00 13.59 N +ATOM 204 CA THR C 36 24.757 -10.419 -29.138 1.00 13.72 C +ATOM 205 C THR C 36 26.073 -9.749 -29.432 1.00 12.85 C +ATOM 206 O THR C 36 26.392 -9.467 -30.589 1.00 15.30 O +ATOM 207 CB THR C 36 23.762 -9.439 -28.494 1.00 18.72 C +ATOM 208 OG1 THR C 36 22.512 -10.124 -28.269 1.00 17.98 O +ATOM 209 CG2 THR C 36 23.577 -8.181 -29.366 1.00 12.75 C +ATOM 210 N LYS C 37 26.892 -9.557 -28.424 1.00 13.89 N +ATOM 211 CA LYS C 37 28.223 -8.960 -28.654 1.00 12.93 C +ATOM 212 C LYS C 37 29.056 -9.812 -29.602 1.00 13.83 C +ATOM 213 O LYS C 37 29.724 -9.307 -30.504 1.00 17.09 O +ATOM 214 CB LYS C 37 28.963 -8.792 -27.320 1.00 18.91 C +ATOM 215 CG LYS C 37 28.428 -7.650 -26.453 1.00 30.21 C +ATOM 216 CD LYS C 37 29.177 -7.573 -25.121 1.00 44.69 C +ATOM 217 CE LYS C 37 28.616 -6.456 -24.250 1.00 58.59 C +ATOM 218 NZ LYS C 37 29.161 -6.480 -22.871 1.00 64.79 N +ATOM 219 N CYS C 38 28.991 -11.121 -29.413 1.00 14.16 N +ATOM 220 CA CYS C 38 29.706 -12.039 -30.304 1.00 12.51 C +ATOM 221 C CYS C 38 29.190 -11.902 -31.729 1.00 14.58 C +ATOM 222 O CYS C 38 29.974 -11.772 -32.675 1.00 16.60 O +ATOM 223 CB CYS C 38 29.547 -13.472 -29.826 1.00 17.67 C +ATOM 224 SG CYS C 38 30.697 -14.654 -30.466 1.00 14.86 S +ATOM 225 N ALA C 39 27.884 -11.967 -31.911 1.00 13.13 N +ATOM 226 CA ALA C 39 27.339 -11.738 -33.260 1.00 14.68 C +ATOM 227 C ALA C 39 27.816 -10.434 -33.895 1.00 11.19 C +ATOM 228 O ALA C 39 28.173 -10.414 -35.079 1.00 12.39 O +ATOM 229 CB ALA C 39 25.835 -11.794 -33.254 1.00 12.24 C +ATOM 230 N GLU C 40 27.838 -9.349 -33.123 1.00 12.31 N +ATOM 231 CA GLU C 40 28.277 -8.050 -33.649 1.00 13.61 C +ATOM 232 C GLU C 40 29.761 -8.054 -33.983 1.00 15.58 C +ATOM 233 O GLU C 40 30.197 -7.526 -35.025 1.00 12.99 O +ATOM 234 CB GLU C 40 28.013 -6.932 -32.639 1.00 20.15 C +ATOM 235 CG GLU C 40 26.551 -6.727 -32.295 1.00 23.38 C +ATOM 236 CD GLU C 40 25.729 -6.211 -33.465 1.00 34.92 C +ATOM 237 OE1 GLU C 40 26.319 -5.787 -34.476 1.00 37.39 O +ATOM 238 OE2 GLU C 40 24.487 -6.240 -33.371 1.00 32.80 O +ATOM 239 N LEU C 41 30.555 -8.656 -33.105 1.00 16.21 N +ATOM 240 CA LEU C 41 31.989 -8.751 -33.371 1.00 14.37 C +ATOM 241 C LEU C 41 32.254 -9.479 -34.682 1.00 14.98 C +ATOM 242 O LEU C 41 33.030 -9.029 -35.500 1.00 17.33 O +ATOM 243 CB LEU C 41 32.680 -9.459 -32.206 1.00 19.36 C +ATOM 244 CG LEU C 41 34.179 -9.680 -32.323 1.00 24.48 C +ATOM 245 CD1 LEU C 41 34.883 -8.354 -32.181 1.00 20.54 C +ATOM 246 CD2 LEU C 41 34.607 -10.697 -31.272 1.00 22.04 C +ATOM 247 N LEU C 42 31.590 -10.608 -34.889 1.00 13.89 N +ATOM 248 CA LEU C 42 31.843 -11.415 -36.067 1.00 15.46 C +ATOM 249 C LEU C 42 31.379 -10.706 -37.316 1.00 16.15 C +ATOM 250 O LEU C 42 32.004 -10.840 -38.357 1.00 24.38 O +ATOM 251 CB LEU C 42 31.174 -12.800 -35.955 1.00 15.66 C +ATOM 252 CG LEU C 42 31.483 -13.601 -34.684 1.00 23.87 C +ATOM 253 CD1 LEU C 42 31.165 -15.099 -34.840 1.00 16.55 C +ATOM 254 CD2 LEU C 42 32.914 -13.396 -34.180 1.00 19.14 C +ATOM 255 N ARG C 43 30.302 -9.939 -37.218 1.00 16.07 N +ATOM 256 CA ARG C 43 29.827 -9.150 -38.347 1.00 17.93 C +ATOM 257 C ARG C 43 30.827 -8.067 -38.724 1.00 23.55 C +ATOM 258 O ARG C 43 31.092 -7.860 -39.891 1.00 28.05 O +ATOM 259 CB ARG C 43 28.489 -8.482 -38.036 1.00 14.78 C +ATOM 260 CG ARG C 43 27.941 -7.654 -39.231 1.00 21.30 C +ATOM 261 CD ARG C 43 27.698 -8.555 -40.442 1.00 23.04 C +ATOM 262 NE ARG C 43 26.776 -9.645 -40.092 1.00 28.42 N +ATOM 263 CZ ARG C 43 26.743 -10.849 -40.665 1.00 38.30 C +ATOM 264 NH1 ARG C 43 27.584 -11.175 -41.642 1.00 50.99 N +ATOM 265 NH2 ARG C 43 25.866 -11.755 -40.235 1.00 30.99 N +ATOM 266 N SER C 44 31.378 -7.367 -37.738 1.00 27.50 N +ATOM 267 CA SER C 44 32.406 -6.332 -37.999 1.00 28.96 C +ATOM 268 C SER C 44 33.714 -6.881 -38.595 1.00 25.80 C +ATOM 269 O SER C 44 34.468 -6.148 -39.190 1.00 36.44 O +ATOM 270 CB SER C 44 32.721 -5.540 -36.707 1.00 27.83 C +ATOM 271 OG SER C 44 33.625 -6.248 -35.861 1.00 32.46 O +ATOM 272 N GLN C 45 33.983 -8.161 -38.427 1.00 33.63 N +ATOM 273 CA GLN C 45 35.233 -8.753 -38.876 1.00 38.72 C +ATOM 274 C GLN C 45 35.080 -9.603 -40.126 1.00 45.59 C +ATOM 275 O GLN C 45 36.024 -10.298 -40.525 1.00 48.30 O +ATOM 276 CB GLN C 45 35.825 -9.614 -37.762 1.00 38.33 C +ATOM 277 CG GLN C 45 36.482 -8.786 -36.676 1.00 57.10 C +ATOM 278 CD GLN C 45 37.657 -9.487 -36.035 1.00 72.37 C +ATOM 279 OE1 GLN C 45 38.509 -10.081 -36.724 1.00 58.67 O +ATOM 280 NE2 GLN C 45 37.719 -9.420 -34.702 1.00 69.20 N +ATOM 281 N THR C 46 33.913 -9.527 -40.760 1.00 51.35 N +ATOM 282 CA THR C 46 33.573 -10.418 -41.873 1.00 56.25 C +ATOM 283 C THR C 46 34.360 -10.113 -43.176 1.00 57.42 C +ATOM 284 O THR C 46 34.541 -11.001 -44.015 1.00 59.97 O +ATOM 285 CB THR C 46 32.027 -10.434 -42.103 1.00 58.10 C +ATOM 286 OG1 THR C 46 31.645 -11.651 -42.756 1.00 59.02 O +ATOM 287 CG2 THR C 46 31.552 -9.202 -42.905 1.00 54.58 C +ATOM 288 N GLU C 47 34.840 -8.873 -43.323 1.00 58.20 N +ATOM 289 CA GLU C 47 35.706 -8.477 -44.448 1.00 57.62 C +ATOM 290 C GLU C 47 37.032 -9.241 -44.425 1.00 56.17 C +ATOM 291 O GLU C 47 37.429 -9.831 -45.431 1.00 57.65 O +ATOM 292 CB GLU C 47 35.981 -6.969 -44.408 1.00 55.71 C +ATOM 293 N LYS C 48 37.707 -9.231 -43.272 1.00 53.34 N +ATOM 294 CA LYS C 48 38.918 -10.037 -43.066 1.00 52.92 C +ATOM 295 C LYS C 48 38.503 -11.512 -43.159 1.00 53.46 C +ATOM 296 O LYS C 48 37.331 -11.828 -42.918 1.00 53.02 O +ATOM 297 CB LYS C 48 39.545 -9.742 -41.690 1.00 53.45 C +ATOM 298 CG LYS C 48 39.665 -8.259 -41.331 1.00 53.87 C +ATOM 299 N HIS C 49 39.423 -12.411 -43.517 1.00 51.40 N +ATOM 300 CA HIS C 49 39.089 -13.850 -43.587 1.00 52.07 C +ATOM 301 C HIS C 49 40.074 -14.693 -42.783 1.00 49.12 C +ATOM 302 O HIS C 49 40.971 -15.304 -43.349 1.00 51.73 O +ATOM 303 CB HIS C 49 39.018 -14.339 -45.042 1.00 54.01 C +ATOM 304 CG HIS C 49 37.846 -13.797 -45.806 1.00 65.98 C +ATOM 305 ND1 HIS C 49 36.538 -14.025 -45.428 1.00 70.19 N +ATOM 306 CD2 HIS C 49 37.786 -13.040 -46.930 1.00 63.45 C +ATOM 307 CE1 HIS C 49 35.724 -13.426 -46.280 1.00 66.77 C +ATOM 308 NE2 HIS C 49 36.455 -12.823 -47.201 1.00 75.06 N +ATOM 309 N LYS C 50 39.868 -14.749 -41.466 1.00 41.33 N +ATOM 310 CA LYS C 50 40.862 -15.304 -40.540 1.00 36.12 C +ATOM 311 C LYS C 50 40.931 -16.835 -40.528 1.00 32.29 C +ATOM 312 O LYS C 50 39.956 -17.522 -40.835 1.00 34.16 O +ATOM 313 CB LYS C 50 40.616 -14.780 -39.117 1.00 35.65 C +ATOM 314 CG LYS C 50 40.822 -13.261 -38.941 1.00 35.97 C +ATOM 315 CD LYS C 50 42.204 -12.929 -38.360 1.00 37.77 C +ATOM 316 CE LYS C 50 42.389 -11.440 -38.056 1.00 46.41 C +ATOM 317 NZ LYS C 50 41.457 -10.942 -36.999 1.00 44.89 N +ATOM 318 N ALA C 51 42.107 -17.343 -40.156 1.00 26.22 N +ATOM 319 CA ALA C 51 42.396 -18.779 -40.054 1.00 24.90 C +ATOM 320 C ALA C 51 41.433 -19.522 -39.120 1.00 24.82 C +ATOM 321 O ALA C 51 40.888 -20.550 -39.483 1.00 29.64 O +ATOM 322 CB ALA C 51 43.846 -18.985 -39.576 1.00 17.53 C +ATOM 323 N CYS C 52 41.245 -19.023 -37.904 1.00 23.95 N +ATOM 324 CA CYS C 52 40.194 -19.561 -37.010 1.00 22.56 C +ATOM 325 C CYS C 52 39.052 -18.562 -36.953 1.00 20.87 C +ATOM 326 O CYS C 52 39.235 -17.428 -36.483 1.00 21.37 O +ATOM 327 CB CYS C 52 40.755 -19.800 -35.615 1.00 21.85 C +ATOM 328 SG CYS C 52 42.043 -20.970 -35.602 1.00 20.68 S +ATOM 329 N SER C 53 37.890 -18.932 -37.474 1.00 16.22 N +ATOM 330 CA SER C 53 36.781 -17.988 -37.482 1.00 20.35 C +ATOM 331 C SER C 53 36.095 -17.917 -36.119 1.00 20.39 C +ATOM 332 O SER C 53 36.367 -18.709 -35.223 1.00 20.33 O +ATOM 333 CB SER C 53 35.796 -18.288 -38.597 1.00 24.97 C +ATOM 334 OG SER C 53 35.481 -19.644 -38.643 1.00 38.79 O +ATOM 335 N GLY C 54 35.253 -16.909 -35.938 1.00 21.09 N +ATOM 336 CA GLY C 54 34.591 -16.689 -34.649 1.00 17.43 C +ATOM 337 C GLY C 54 33.695 -17.851 -34.274 1.00 15.00 C +ATOM 338 O GLY C 54 32.935 -18.351 -35.096 1.00 17.43 O +ATOM 339 N VAL C 55 33.816 -18.325 -33.044 1.00 15.47 N +ATOM 340 CA VAL C 55 32.947 -19.378 -32.583 1.00 11.53 C +ATOM 341 C VAL C 55 32.447 -19.128 -31.194 1.00 13.69 C +ATOM 342 O VAL C 55 33.018 -18.348 -30.419 1.00 14.57 O +ATOM 343 CB VAL C 55 33.623 -20.773 -32.636 1.00 16.39 C +ATOM 344 CG1 VAL C 55 33.925 -21.134 -34.075 1.00 17.61 C +ATOM 345 CG2 VAL C 55 34.910 -20.793 -31.746 1.00 16.32 C +ATOM 346 N TRP C 56 31.374 -19.832 -30.882 1.00 16.45 N +ATOM 347 CA TRP C 56 30.802 -19.846 -29.553 1.00 15.53 C +ATOM 348 C TRP C 56 30.946 -21.257 -28.959 1.00 14.38 C +ATOM 349 O TRP C 56 30.476 -22.244 -29.536 1.00 15.33 O +ATOM 350 CB TRP C 56 29.327 -19.493 -29.659 1.00 16.35 C +ATOM 351 CG TRP C 56 28.606 -19.435 -28.356 1.00 15.15 C +ATOM 352 CD1 TRP C 56 27.849 -20.422 -27.798 1.00 14.34 C +ATOM 353 CD2 TRP C 56 28.513 -18.315 -27.487 1.00 13.69 C +ATOM 354 NE1 TRP C 56 27.321 -19.988 -26.621 1.00 15.16 N +ATOM 355 CE2 TRP C 56 27.712 -18.701 -26.403 1.00 14.66 C +ATOM 356 CE3 TRP C 56 29.060 -17.025 -27.501 1.00 13.99 C +ATOM 357 CZ2 TRP C 56 27.438 -17.854 -25.338 1.00 19.46 C +ATOM 358 CZ3 TRP C 56 28.785 -16.185 -26.464 1.00 17.02 C +ATOM 359 CH2 TRP C 56 27.963 -16.609 -25.383 1.00 13.09 C +ATOM 360 N ASP C 57 31.578 -21.356 -27.796 1.00 13.01 N +ATOM 361 CA ASP C 57 31.820 -22.670 -27.178 1.00 10.10 C +ATOM 362 C ASP C 57 32.012 -22.430 -25.677 1.00 9.29 C +ATOM 363 O ASP C 57 32.634 -21.438 -25.310 1.00 17.82 O +ATOM 364 CB ASP C 57 33.103 -23.258 -27.793 1.00 16.05 C +ATOM 365 CG ASP C 57 33.260 -24.746 -27.553 1.00 13.48 C +ATOM 366 OD1 ASP C 57 32.239 -25.444 -27.611 1.00 24.42 O +ATOM 367 OD2 ASP C 57 34.416 -25.210 -27.407 1.00 23.71 O +ATOM 368 N ASN C 58 31.538 -23.354 -24.836 1.00 14.67 N +ATOM 369 CA ASN C 58 31.644 -23.201 -23.405 1.00 15.24 C +ATOM 370 C ASN C 58 31.126 -21.815 -23.001 1.00 16.36 C +ATOM 371 O ASN C 58 31.746 -21.094 -22.223 1.00 17.88 O +ATOM 372 CB ASN C 58 33.092 -23.410 -22.930 1.00 19.30 C +ATOM 373 CG ASN C 58 33.625 -24.804 -23.214 1.00 17.42 C +ATOM 374 OD1 ASN C 58 34.769 -24.945 -23.574 1.00 27.11 O +ATOM 375 ND2 ASN C 58 32.812 -25.839 -23.018 1.00 17.64 N +ATOM 376 N ILE C 59 29.985 -21.438 -23.565 1.00 17.20 N +ATOM 377 CA ILE C 59 29.308 -20.195 -23.205 1.00 16.18 C +ATOM 378 C ILE C 59 30.150 -18.958 -23.333 1.00 19.31 C +ATOM 379 O ILE C 59 29.980 -17.982 -22.576 1.00 17.76 O +ATOM 380 CB ILE C 59 28.681 -20.261 -21.782 1.00 23.67 C +ATOM 381 CG1 ILE C 59 28.232 -21.684 -21.449 1.00 38.43 C +ATOM 382 CG2 ILE C 59 27.442 -19.438 -21.708 1.00 31.43 C +ATOM 383 CD1 ILE C 59 27.456 -21.799 -20.148 1.00 45.88 C +ATOM 384 N THR C 60 31.028 -18.961 -24.331 1.00 16.60 N +ATOM 385 CA THR C 60 32.026 -17.928 -24.472 1.00 17.52 C +ATOM 386 C THR C 60 32.227 -17.617 -25.938 1.00 16.08 C +ATOM 387 O THR C 60 32.168 -18.508 -26.761 1.00 10.98 O +ATOM 388 CB THR C 60 33.339 -18.436 -23.870 1.00 17.55 C +ATOM 389 OG1 THR C 60 33.119 -18.725 -22.497 1.00 19.82 O +ATOM 390 CG2 THR C 60 34.447 -17.431 -24.002 1.00 10.46 C +ATOM 391 N CYS C 61 32.398 -16.344 -26.268 1.00 15.43 N +ATOM 392 CA CYS C 61 32.739 -15.964 -27.613 1.00 13.59 C +ATOM 393 C CYS C 61 34.252 -16.085 -27.763 1.00 15.71 C +ATOM 394 O CYS C 61 35.008 -15.552 -26.932 1.00 17.11 O +ATOM 395 CB CYS C 61 32.348 -14.516 -27.855 1.00 18.58 C +ATOM 396 SG CYS C 61 32.498 -13.949 -29.579 1.00 24.04 S +ATOM 397 N TRP C 62 34.686 -16.722 -28.849 1.00 14.20 N +ATOM 398 CA TRP C 62 36.090 -16.851 -29.204 1.00 15.18 C +ATOM 399 C TRP C 62 36.306 -16.086 -30.516 1.00 12.87 C +ATOM 400 O TRP C 62 35.886 -16.530 -31.567 1.00 18.30 O +ATOM 401 CB TRP C 62 36.449 -18.329 -29.351 1.00 14.26 C +ATOM 402 CG TRP C 62 36.158 -19.080 -28.150 1.00 11.44 C +ATOM 403 CD1 TRP C 62 35.042 -19.751 -27.894 1.00 13.88 C +ATOM 404 CD2 TRP C 62 36.976 -19.196 -27.000 1.00 11.25 C +ATOM 405 NE1 TRP C 62 35.096 -20.298 -26.664 1.00 16.74 N +ATOM 406 CE2 TRP C 62 36.290 -19.962 -26.088 1.00 13.38 C +ATOM 407 CE3 TRP C 62 38.220 -18.683 -26.638 1.00 19.67 C +ATOM 408 CZ2 TRP C 62 36.809 -20.268 -24.837 1.00 12.76 C +ATOM 409 CZ3 TRP C 62 38.728 -18.985 -25.407 1.00 10.48 C +ATOM 410 CH2 TRP C 62 38.039 -19.771 -24.528 1.00 14.08 C +ATOM 411 N ARG C 63 36.938 -14.925 -30.427 1.00 16.95 N +ATOM 412 CA ARG C 63 37.076 -13.986 -31.543 1.00 17.93 C +ATOM 413 C ARG C 63 37.859 -14.585 -32.683 1.00 19.34 C +ATOM 414 O ARG C 63 38.704 -15.466 -32.466 1.00 22.54 O +ATOM 415 CB ARG C 63 37.808 -12.732 -31.063 1.00 21.14 C +ATOM 416 CG ARG C 63 39.193 -13.013 -30.392 1.00 26.45 C +ATOM 417 CD ARG C 63 40.208 -12.002 -30.859 1.00 31.00 C +ATOM 418 NE ARG C 63 41.518 -12.107 -30.219 1.00 25.65 N +ATOM 419 CZ ARG C 63 42.650 -12.424 -30.849 1.00 29.62 C +ATOM 420 NH1 ARG C 63 42.660 -12.719 -32.152 1.00 25.47 N +ATOM 421 NH2 ARG C 63 43.796 -12.469 -30.168 1.00 31.36 N +ATOM 422 N PRO C 64 37.620 -14.098 -33.909 1.00 20.13 N +ATOM 423 CA PRO C 64 38.441 -14.609 -35.008 1.00 18.47 C +ATOM 424 C PRO C 64 39.925 -14.420 -34.718 1.00 17.99 C +ATOM 425 O PRO C 64 40.296 -13.449 -34.064 1.00 22.35 O +ATOM 426 CB PRO C 64 37.984 -13.786 -36.209 1.00 18.49 C +ATOM 427 CG PRO C 64 36.602 -13.340 -35.862 1.00 26.34 C +ATOM 428 CD PRO C 64 36.608 -13.134 -34.375 1.00 26.13 C +ATOM 429 N ALA C 65 40.752 -15.359 -35.164 1.00 20.79 N +ATOM 430 CA ALA C 65 42.166 -15.375 -34.785 1.00 22.97 C +ATOM 431 C ALA C 65 43.023 -16.045 -35.835 1.00 23.40 C +ATOM 432 O ALA C 65 42.506 -16.690 -36.753 1.00 23.21 O +ATOM 433 CB ALA C 65 42.350 -16.076 -33.441 1.00 21.61 C +ATOM 434 N ASN C 66 44.341 -15.877 -35.690 1.00 30.37 N +ATOM 435 CA ASN C 66 45.339 -16.404 -36.645 1.00 28.44 C +ATOM 436 C ASN C 66 46.178 -17.506 -36.045 1.00 21.57 C +ATOM 437 O ASN C 66 46.330 -17.594 -34.827 1.00 22.67 O +ATOM 438 CB ASN C 66 46.310 -15.291 -37.057 1.00 29.15 C +ATOM 439 CG ASN C 66 45.632 -14.186 -37.808 1.00 30.36 C +ATOM 440 OD1 ASN C 66 44.927 -14.428 -38.787 1.00 33.37 O +ATOM 441 ND2 ASN C 66 45.840 -12.963 -37.356 1.00 20.35 N +ATOM 442 N VAL C 67 46.792 -18.302 -36.907 1.00 24.61 N +ATOM 443 CA VAL C 67 47.596 -19.388 -36.434 1.00 22.45 C +ATOM 444 C VAL C 67 48.575 -18.802 -35.425 1.00 23.99 C +ATOM 445 O VAL C 67 49.109 -17.731 -35.623 1.00 31.38 O +ATOM 446 CB VAL C 67 48.312 -20.132 -37.588 1.00 29.53 C +ATOM 447 CG1 VAL C 67 49.080 -21.377 -37.050 1.00 22.61 C +ATOM 448 CG2 VAL C 67 47.289 -20.558 -38.686 1.00 21.24 C +ATOM 449 N GLY C 68 48.762 -19.499 -34.315 1.00 24.37 N +ATOM 450 CA GLY C 68 49.752 -19.133 -33.316 1.00 22.19 C +ATOM 451 C GLY C 68 49.226 -18.250 -32.212 1.00 26.06 C +ATOM 452 O GLY C 68 49.920 -18.022 -31.222 1.00 26.30 O +ATOM 453 N GLU C 69 48.008 -17.736 -32.365 1.00 25.55 N +ATOM 454 CA GLU C 69 47.398 -16.940 -31.320 1.00 23.51 C +ATOM 455 C GLU C 69 46.779 -17.865 -30.253 1.00 20.17 C +ATOM 456 O GLU C 69 46.331 -18.962 -30.551 1.00 23.02 O +ATOM 457 CB GLU C 69 46.310 -16.031 -31.897 1.00 25.56 C +ATOM 458 CG GLU C 69 46.796 -14.882 -32.753 1.00 25.50 C +ATOM 459 CD GLU C 69 45.721 -13.829 -32.908 1.00 25.71 C +ATOM 460 OE1 GLU C 69 45.708 -12.901 -32.089 1.00 31.28 O +ATOM 461 OE2 GLU C 69 44.851 -13.958 -33.796 1.00 27.13 O +ATOM 462 N THR C 70 46.751 -17.382 -29.020 1.00 20.56 N +ATOM 463 CA THR C 70 46.013 -17.985 -27.949 1.00 20.56 C +ATOM 464 C THR C 70 45.059 -16.931 -27.458 1.00 23.37 C +ATOM 465 O THR C 70 45.488 -15.810 -27.192 1.00 24.06 O +ATOM 466 CB THR C 70 46.956 -18.361 -26.836 1.00 24.82 C +ATOM 467 OG1 THR C 70 47.775 -19.424 -27.296 1.00 25.07 O +ATOM 468 CG2 THR C 70 46.202 -18.801 -25.581 1.00 20.62 C +ATOM 469 N VAL C 71 43.758 -17.255 -27.405 1.00 20.16 N +ATOM 470 CA VAL C 71 42.749 -16.326 -26.912 1.00 16.28 C +ATOM 471 C VAL C 71 42.400 -16.779 -25.509 1.00 17.68 C +ATOM 472 O VAL C 71 42.106 -17.957 -25.303 1.00 17.98 O +ATOM 473 CB VAL C 71 41.501 -16.379 -27.776 1.00 19.13 C +ATOM 474 CG1 VAL C 71 40.420 -15.533 -27.195 1.00 18.01 C +ATOM 475 CG2 VAL C 71 41.851 -16.001 -29.219 1.00 18.22 C +ATOM 476 N THR C 72 42.458 -15.861 -24.551 1.00 17.85 N +ATOM 477 CA THR C 72 42.216 -16.137 -23.135 1.00 17.74 C +ATOM 478 C THR C 72 41.200 -15.165 -22.617 1.00 19.17 C +ATOM 479 O THR C 72 41.341 -13.973 -22.820 1.00 27.32 O +ATOM 480 CB THR C 72 43.502 -15.964 -22.283 1.00 21.65 C +ATOM 481 OG1 THR C 72 44.501 -16.840 -22.777 1.00 20.19 O +ATOM 482 CG2 THR C 72 43.233 -16.265 -20.798 1.00 28.73 C +ATOM 483 N VAL C 73 40.176 -15.661 -21.944 1.00 20.07 N +ATOM 484 CA VAL C 73 39.162 -14.811 -21.416 1.00 20.02 C +ATOM 485 C VAL C 73 38.775 -15.295 -20.054 1.00 24.80 C +ATOM 486 O VAL C 73 38.986 -16.477 -19.733 1.00 23.96 O +ATOM 487 CB VAL C 73 37.872 -14.846 -22.277 1.00 27.18 C +ATOM 488 CG1 VAL C 73 38.140 -14.338 -23.697 1.00 27.70 C +ATOM 489 CG2 VAL C 73 37.275 -16.240 -22.288 1.00 22.38 C +ATOM 490 N PRO C 74 38.173 -14.410 -19.256 1.00 25.46 N +ATOM 491 CA PRO C 74 37.784 -14.833 -17.935 1.00 23.74 C +ATOM 492 C PRO C 74 36.670 -15.823 -17.996 1.00 23.14 C +ATOM 493 O PRO C 74 35.923 -15.840 -18.942 1.00 25.13 O +ATOM 494 CB PRO C 74 37.324 -13.522 -17.249 1.00 27.23 C +ATOM 495 CG PRO C 74 37.256 -12.504 -18.314 1.00 31.95 C +ATOM 496 CD PRO C 74 38.137 -12.937 -19.405 1.00 26.43 C +ATOM 497 N CYS C 75 36.541 -16.652 -16.972 1.00 23.04 N +ATOM 498 CA CYS C 75 35.438 -17.620 -16.944 1.00 25.21 C +ATOM 499 C CYS C 75 34.155 -16.837 -17.039 1.00 24.00 C +ATOM 500 O CYS C 75 34.128 -15.689 -16.648 1.00 27.23 O +ATOM 501 CB CYS C 75 35.464 -18.450 -15.649 1.00 26.45 C +ATOM 502 SG CYS C 75 36.722 -19.756 -15.628 1.00 28.77 S +ATOM 503 N PRO C 76 33.087 -17.454 -17.545 1.00 21.77 N +ATOM 504 CA PRO C 76 31.894 -16.708 -17.753 1.00 22.82 C +ATOM 505 C PRO C 76 31.473 -16.172 -16.433 1.00 27.34 C +ATOM 506 O PRO C 76 31.154 -16.946 -15.537 1.00 26.91 O +ATOM 507 CB PRO C 76 30.894 -17.748 -18.290 1.00 29.54 C +ATOM 508 CG PRO C 76 31.695 -18.797 -18.852 1.00 27.75 C +ATOM 509 CD PRO C 76 33.052 -18.755 -18.234 1.00 24.46 C +ATOM 510 N LYS C 77 31.500 -14.845 -16.315 1.00 39.79 N +ATOM 511 CA LYS C 77 31.120 -14.145 -15.095 1.00 41.96 C +ATOM 512 C LYS C 77 29.723 -14.581 -14.650 1.00 38.99 C +ATOM 513 O LYS C 77 29.430 -14.623 -13.447 1.00 33.61 O +ATOM 514 CB LYS C 77 31.182 -12.619 -15.306 1.00 47.38 C +ATOM 515 CG LYS C 77 32.605 -12.062 -15.362 1.00 52.36 C +ATOM 516 N VAL C 78 28.873 -14.939 -15.610 1.00 32.84 N +ATOM 517 CA VAL C 78 27.504 -15.341 -15.276 1.00 37.76 C +ATOM 518 C VAL C 78 27.429 -16.426 -14.181 1.00 37.72 C +ATOM 519 O VAL C 78 26.514 -16.404 -13.370 1.00 39.62 O +ATOM 520 CB VAL C 78 26.669 -15.755 -16.540 1.00 40.78 C +ATOM 521 CG1 VAL C 78 27.037 -17.143 -17.046 1.00 35.35 C +ATOM 522 CG2 VAL C 78 25.209 -15.697 -16.218 1.00 37.26 C +ATOM 523 N PHE C 79 28.397 -17.343 -14.133 1.00 37.39 N +ATOM 524 CA PHE C 79 28.391 -18.395 -13.112 1.00 43.93 C +ATOM 525 C PHE C 79 29.383 -18.157 -11.968 1.00 46.32 C +ATOM 526 O PHE C 79 29.905 -19.114 -11.361 1.00 44.08 O +ATOM 527 CB PHE C 79 28.623 -19.772 -13.760 1.00 46.81 C +ATOM 528 CG PHE C 79 27.566 -20.156 -14.778 1.00 56.82 C +ATOM 529 CD1 PHE C 79 26.227 -19.812 -14.592 1.00 73.95 C +ATOM 530 CD2 PHE C 79 27.913 -20.878 -15.913 1.00 67.37 C +ATOM 531 CE1 PHE C 79 25.262 -20.162 -15.531 1.00 88.24 C +ATOM 532 CE2 PHE C 79 26.952 -21.237 -16.850 1.00 81.35 C +ATOM 533 CZ PHE C 79 25.624 -20.878 -16.660 1.00 86.25 C +ATOM 534 N SER C 80 29.606 -16.884 -11.648 1.00 47.56 N +ATOM 535 CA SER C 80 30.580 -16.489 -10.611 1.00 51.34 C +ATOM 536 C SER C 80 30.335 -17.145 -9.246 1.00 46.70 C +ATOM 537 O SER C 80 31.277 -17.558 -8.585 1.00 38.44 O +ATOM 538 CB SER C 80 30.606 -14.962 -10.452 1.00 51.53 C +ATOM 539 OG SER C 80 31.303 -14.357 -11.532 1.00 63.90 O +ATOM 540 N ASN C 81 29.068 -17.254 -8.853 1.00 46.03 N +ATOM 541 CA ASN C 81 28.705 -17.785 -7.548 1.00 53.01 C +ATOM 542 C ASN C 81 29.022 -19.269 -7.433 1.00 55.98 C +ATOM 543 O ASN C 81 29.090 -19.800 -6.321 1.00 59.33 O +ATOM 544 CB ASN C 81 27.215 -17.561 -7.256 1.00 55.27 C +ATOM 545 CG ASN C 81 26.820 -16.086 -7.283 1.00 60.11 C +ATOM 546 OD1 ASN C 81 27.559 -15.217 -6.821 1.00 64.70 O +ATOM 547 ND2 ASN C 81 25.648 -15.804 -7.838 1.00 59.45 N +ATOM 548 N PHE C 82 29.213 -19.929 -8.578 1.00 55.36 N +ATOM 549 CA PHE C 82 29.536 -21.362 -8.619 1.00 56.15 C +ATOM 550 C PHE C 82 31.040 -21.630 -8.787 1.00 51.81 C +ATOM 551 O PHE C 82 31.454 -22.776 -8.904 1.00 45.65 O +ATOM 552 CB PHE C 82 28.727 -22.050 -9.730 1.00 54.52 C +ATOM 553 CG PHE C 82 27.239 -21.852 -9.602 1.00 64.24 C +ATOM 554 CD1 PHE C 82 26.518 -22.521 -8.618 1.00 77.55 C +ATOM 555 CD2 PHE C 82 26.564 -20.981 -10.447 1.00 62.35 C +ATOM 556 CE1 PHE C 82 25.144 -22.330 -8.488 1.00 80.16 C +ATOM 557 CE2 PHE C 82 25.196 -20.786 -10.322 1.00 72.12 C +ATOM 558 CZ PHE C 82 24.484 -21.462 -9.345 1.00 76.98 C +ATOM 559 N TYR C 83 31.852 -20.576 -8.785 1.00 53.49 N +ATOM 560 CA TYR C 83 33.311 -20.727 -8.836 1.00 54.62 C +ATOM 561 C TYR C 83 33.961 -20.759 -7.445 1.00 58.02 C +ATOM 562 O TYR C 83 33.516 -20.085 -6.516 1.00 60.10 O +ATOM 563 CB TYR C 83 33.931 -19.617 -9.700 1.00 53.67 C +ATOM 564 CG TYR C 83 33.382 -19.573 -11.117 1.00 43.07 C +ATOM 565 CD1 TYR C 83 32.897 -20.730 -11.741 1.00 48.46 C +ATOM 566 CD2 TYR C 83 33.358 -18.390 -11.836 1.00 39.88 C +ATOM 567 CE1 TYR C 83 32.394 -20.704 -13.017 1.00 49.34 C +ATOM 568 CE2 TYR C 83 32.846 -18.347 -13.122 1.00 37.48 C +ATOM 569 CZ TYR C 83 32.368 -19.518 -13.711 1.00 49.58 C +ATOM 570 OH TYR C 83 31.859 -19.522 -14.990 1.00 35.28 O +ATOM 571 N SER C 84 35.007 -21.566 -7.313 1.00 60.37 N +ATOM 572 CA SER C 84 35.813 -21.605 -6.102 1.00 62.89 C +ATOM 573 C SER C 84 37.126 -20.846 -6.318 1.00 67.56 C +ATOM 574 O SER C 84 37.939 -20.724 -5.399 1.00 69.51 O +ATOM 575 CB SER C 84 36.119 -23.054 -5.743 1.00 63.50 C +ATOM 576 OG SER C 84 36.838 -23.682 -6.792 1.00 59.62 O +ATOM 577 N LYS C 85 37.314 -20.329 -7.532 1.00 68.64 N +ATOM 578 CA LYS C 85 38.614 -19.850 -8.003 1.00 67.96 C +ATOM 579 C LYS C 85 38.430 -18.641 -8.920 1.00 65.71 C +ATOM 580 O LYS C 85 37.326 -18.394 -9.405 1.00 65.31 O +ATOM 581 CB LYS C 85 39.290 -20.994 -8.765 1.00 67.13 C +ATOM 582 CG LYS C 85 40.683 -20.716 -9.304 1.00 69.72 C +ATOM 583 CD LYS C 85 41.470 -22.014 -9.505 1.00 72.23 C +ATOM 584 CE LYS C 85 40.720 -23.029 -10.372 1.00 70.23 C +ATOM 585 NZ LYS C 85 41.443 -24.327 -10.437 1.00 68.56 N +ATOM 586 N ALA C 86 39.504 -17.882 -9.134 1.00 63.38 N +ATOM 587 CA ALA C 86 39.533 -16.840 -10.167 1.00 59.50 C +ATOM 588 C ALA C 86 40.098 -17.459 -11.444 1.00 54.30 C +ATOM 589 O ALA C 86 41.300 -17.670 -11.562 1.00 58.86 O +ATOM 590 CB ALA C 86 40.380 -15.653 -9.721 1.00 59.48 C +ATOM 591 N GLY C 87 39.223 -17.755 -12.394 1.00 50.10 N +ATOM 592 CA GLY C 87 39.593 -18.552 -13.555 1.00 42.83 C +ATOM 593 C GLY C 87 39.502 -17.837 -14.890 1.00 31.74 C +ATOM 594 O GLY C 87 38.637 -16.987 -15.120 1.00 35.15 O +ATOM 595 N ASN C 88 40.418 -18.218 -15.763 1.00 24.35 N +ATOM 596 CA ASN C 88 40.418 -17.875 -17.159 1.00 28.76 C +ATOM 597 C ASN C 88 40.394 -19.153 -17.973 1.00 24.17 C +ATOM 598 O ASN C 88 40.954 -20.163 -17.566 1.00 26.00 O +ATOM 599 CB ASN C 88 41.701 -17.132 -17.515 1.00 27.74 C +ATOM 600 CG ASN C 88 41.854 -15.868 -16.733 1.00 39.55 C +ATOM 601 OD1 ASN C 88 40.898 -15.112 -16.557 1.00 42.66 O +ATOM 602 ND2 ASN C 88 43.059 -15.630 -16.240 1.00 27.28 N +ATOM 603 N ILE C 89 39.801 -19.077 -19.153 1.00 17.18 N +ATOM 604 CA ILE C 89 39.831 -20.176 -20.126 1.00 16.61 C +ATOM 605 C ILE C 89 40.447 -19.691 -21.428 1.00 14.66 C +ATOM 606 O ILE C 89 40.409 -18.500 -21.740 1.00 17.36 O +ATOM 607 CB ILE C 89 38.444 -20.796 -20.369 1.00 18.44 C +ATOM 608 CG1 ILE C 89 37.395 -19.701 -20.551 1.00 20.42 C +ATOM 609 CG2 ILE C 89 38.062 -21.734 -19.214 1.00 19.67 C +ATOM 610 CD1 ILE C 89 35.986 -20.186 -20.908 1.00 23.45 C +ATOM 611 N SER C 90 41.004 -20.625 -22.193 1.00 12.66 N +ATOM 612 CA SER C 90 41.792 -20.284 -23.344 1.00 16.84 C +ATOM 613 C SER C 90 41.541 -21.271 -24.447 1.00 12.27 C +ATOM 614 O SER C 90 41.178 -22.402 -24.194 1.00 15.30 O +ATOM 615 CB SER C 90 43.301 -20.351 -23.016 1.00 19.06 C +ATOM 616 OG SER C 90 43.698 -19.414 -22.029 1.00 24.71 O +ATOM 617 N LYS C 91 41.759 -20.833 -25.682 1.00 18.93 N +ATOM 618 CA LYS C 91 41.908 -21.746 -26.815 1.00 19.46 C +ATOM 619 C LYS C 91 43.074 -21.250 -27.638 1.00 23.41 C +ATOM 620 O LYS C 91 43.314 -20.055 -27.704 1.00 21.80 O +ATOM 621 CB LYS C 91 40.693 -21.717 -27.728 1.00 18.95 C +ATOM 622 CG LYS C 91 39.424 -22.331 -27.175 1.00 18.53 C +ATOM 623 CD LYS C 91 38.357 -22.350 -28.245 1.00 8.52 C +ATOM 624 CE LYS C 91 37.037 -22.960 -27.730 1.00 8.89 C +ATOM 625 NZ LYS C 91 37.205 -24.408 -27.454 1.00 11.70 N +ATOM 626 N ASN C 92 43.749 -22.170 -28.309 1.00 15.94 N +ATOM 627 CA ASN C 92 44.766 -21.823 -29.281 1.00 18.76 C +ATOM 628 C ASN C 92 44.179 -21.959 -30.679 1.00 17.05 C +ATOM 629 O ASN C 92 43.407 -22.878 -30.956 1.00 19.49 O +ATOM 630 CB ASN C 92 45.984 -22.764 -29.142 1.00 24.06 C +ATOM 631 CG ASN C 92 46.679 -22.658 -27.781 1.00 31.39 C +ATOM 632 OD1 ASN C 92 46.889 -21.568 -27.251 1.00 32.74 O +ATOM 633 ND2 ASN C 92 47.054 -23.820 -27.217 1.00 30.57 N +ATOM 634 N CYS C 93 44.528 -21.025 -31.560 1.00 15.95 N +ATOM 635 CA CYS C 93 44.235 -21.170 -32.983 1.00 17.19 C +ATOM 636 C CYS C 93 45.448 -21.800 -33.601 1.00 19.01 C +ATOM 637 O CYS C 93 46.543 -21.221 -33.554 1.00 20.24 O +ATOM 638 CB CYS C 93 43.986 -19.809 -33.622 1.00 18.40 C +ATOM 639 SG CYS C 93 43.707 -19.848 -35.384 1.00 21.63 S +ATOM 640 N THR C 94 45.271 -22.996 -34.142 1.00 20.23 N +ATOM 641 CA THR C 94 46.370 -23.728 -34.710 1.00 20.96 C +ATOM 642 C THR C 94 46.048 -23.957 -36.155 1.00 24.72 C +ATOM 643 O THR C 94 44.958 -23.632 -36.612 1.00 25.08 O +ATOM 644 CB THR C 94 46.540 -25.073 -34.009 1.00 24.16 C +ATOM 645 OG1 THR C 94 45.437 -25.914 -34.341 1.00 16.95 O +ATOM 646 CG2 THR C 94 46.605 -24.883 -32.497 1.00 24.00 C +ATOM 647 N SER C 95 46.991 -24.568 -36.867 1.00 27.13 N +ATOM 648 CA SER C 95 46.833 -24.857 -38.283 1.00 26.35 C +ATOM 649 C SER C 95 45.727 -25.874 -38.518 1.00 28.77 C +ATOM 650 O SER C 95 45.217 -25.984 -39.641 1.00 29.90 O +ATOM 651 CB SER C 95 48.165 -25.336 -38.881 1.00 31.83 C +ATOM 652 OG SER C 95 48.749 -26.339 -38.075 1.00 35.39 O +ATOM 653 N ASP C 96 45.338 -26.583 -37.449 1.00 30.93 N +ATOM 654 CA ASP C 96 44.211 -27.521 -37.479 1.00 30.62 C +ATOM 655 C ASP C 96 42.902 -26.868 -37.075 1.00 29.47 C +ATOM 656 O ASP C 96 41.828 -27.516 -37.094 1.00 21.62 O +ATOM 657 CB ASP C 96 44.476 -28.687 -36.511 1.00 34.14 C +ATOM 658 CG ASP C 96 45.719 -29.467 -36.865 1.00 38.49 C +ATOM 659 OD1 ASP C 96 45.853 -29.830 -38.050 1.00 21.87 O +ATOM 660 OD2 ASP C 96 46.543 -29.712 -35.956 1.00 36.19 O +ATOM 661 N GLY C 97 42.995 -25.607 -36.667 1.00 22.05 N +ATOM 662 CA GLY C 97 41.825 -24.868 -36.227 1.00 22.64 C +ATOM 663 C GLY C 97 41.875 -24.594 -34.735 1.00 23.69 C +ATOM 664 O GLY C 97 42.981 -24.562 -34.101 1.00 20.10 O +ATOM 665 N TRP C 98 40.686 -24.364 -34.171 1.00 15.82 N +ATOM 666 CA TRP C 98 40.580 -24.030 -32.774 1.00 15.37 C +ATOM 667 C TRP C 98 40.892 -25.267 -31.914 1.00 14.28 C +ATOM 668 O TRP C 98 40.412 -26.339 -32.200 1.00 17.27 O +ATOM 669 CB TRP C 98 39.155 -23.554 -32.428 1.00 12.38 C +ATOM 670 CG TRP C 98 38.830 -22.163 -32.768 1.00 17.38 C +ATOM 671 CD1 TRP C 98 37.915 -21.741 -33.666 1.00 13.56 C +ATOM 672 CD2 TRP C 98 39.409 -20.997 -32.202 1.00 14.06 C +ATOM 673 NE1 TRP C 98 37.889 -20.382 -33.706 1.00 19.31 N +ATOM 674 CE2 TRP C 98 38.797 -19.895 -32.810 1.00 8.57 C +ATOM 675 CE3 TRP C 98 40.416 -20.768 -31.245 1.00 17.34 C +ATOM 676 CZ2 TRP C 98 39.125 -18.585 -32.484 1.00 16.14 C +ATOM 677 CZ3 TRP C 98 40.733 -19.459 -30.920 1.00 21.20 C +ATOM 678 CH2 TRP C 98 40.096 -18.389 -31.547 1.00 22.56 C +ATOM 679 N SER C 99 41.669 -25.090 -30.845 1.00 19.84 N +ATOM 680 CA SER C 99 41.893 -26.164 -29.890 1.00 18.47 C +ATOM 681 C SER C 99 40.677 -26.302 -28.989 1.00 16.29 C +ATOM 682 O SER C 99 39.798 -25.471 -28.978 1.00 17.76 O +ATOM 683 CB SER C 99 43.107 -25.870 -29.007 1.00 21.12 C +ATOM 684 OG SER C 99 42.821 -24.857 -28.027 1.00 19.97 O +ATOM 685 N GLU C 100 40.645 -27.379 -28.247 1.00 10.96 N +ATOM 686 CA GLU C 100 39.708 -27.524 -27.148 1.00 14.08 C +ATOM 687 C GLU C 100 40.023 -26.443 -26.109 1.00 13.36 C +ATOM 688 O GLU C 100 41.112 -25.871 -26.053 1.00 13.90 O +ATOM 689 CB GLU C 100 39.860 -28.938 -26.558 1.00 18.46 C +ATOM 690 CG AGLU C 100 38.946 -30.080 -27.277 0.50 26.75 C +ATOM 691 CG BGLU C 100 41.176 -29.041 -25.749 0.50 13.07 C +ATOM 692 CD AGLU C 100 37.781 -29.629 -28.196 0.50 41.32 C +ATOM 693 CD BGLU C 100 42.260 -29.799 -26.544 0.50 37.39 C +ATOM 694 OE1AGLU C 100 36.757 -29.123 -27.679 0.50 23.47 O +ATOM 695 OE1BGLU C 100 42.825 -29.218 -27.515 0.50 8.48 O +ATOM 696 OE2AGLU C 100 37.864 -29.854 -29.436 0.50 11.73 O +ATOM 697 OE2BGLU C 100 42.521 -30.981 -26.199 0.50 21.40 O +ATOM 698 N THR C 101 39.061 -26.116 -25.295 1.00 14.79 N +ATOM 699 CA THR C 101 39.259 -25.100 -24.274 1.00 11.32 C +ATOM 700 C THR C 101 40.187 -25.635 -23.185 1.00 15.69 C +ATOM 701 O THR C 101 40.116 -26.817 -22.813 1.00 15.84 O +ATOM 702 CB THR C 101 37.934 -24.724 -23.646 1.00 12.23 C +ATOM 703 OG1 THR C 101 37.068 -24.170 -24.640 1.00 13.48 O +ATOM 704 CG2 THR C 101 38.143 -23.678 -22.537 1.00 10.74 C +ATOM 705 N PHE C 102 41.109 -24.809 -22.701 1.00 16.19 N +ATOM 706 CA PHE C 102 41.983 -25.282 -21.645 1.00 17.79 C +ATOM 707 C PHE C 102 42.233 -24.233 -20.595 1.00 19.39 C +ATOM 708 O PHE C 102 42.344 -23.066 -20.918 1.00 18.37 O +ATOM 709 CB PHE C 102 43.297 -25.781 -22.209 1.00 17.95 C +ATOM 710 CG PHE C 102 44.110 -24.722 -22.856 1.00 18.70 C +ATOM 711 CD1 PHE C 102 43.962 -24.450 -24.207 1.00 17.13 C +ATOM 712 CD2 PHE C 102 45.070 -24.027 -22.123 1.00 23.57 C +ATOM 713 CE1 PHE C 102 44.739 -23.496 -24.808 1.00 15.61 C +ATOM 714 CE2 PHE C 102 45.855 -23.056 -22.720 1.00 22.21 C +ATOM 715 CZ PHE C 102 45.687 -22.785 -24.064 1.00 25.63 C +ATOM 716 N PRO C 103 42.244 -24.645 -19.318 1.00 18.36 N +ATOM 717 CA PRO C 103 41.856 -25.980 -18.879 1.00 13.19 C +ATOM 718 C PRO C 103 40.396 -26.147 -19.127 1.00 14.96 C +ATOM 719 O PRO C 103 39.726 -25.167 -19.437 1.00 17.69 O +ATOM 720 CB PRO C 103 42.097 -25.944 -17.377 1.00 14.09 C +ATOM 721 CG PRO C 103 42.991 -24.758 -17.152 1.00 22.77 C +ATOM 722 CD PRO C 103 42.613 -23.784 -18.188 1.00 18.92 C +ATOM 723 N ASP C 104 39.884 -27.353 -18.988 1.00 17.66 N +ATOM 724 CA ASP C 104 38.461 -27.557 -19.244 1.00 19.16 C +ATOM 725 C ASP C 104 37.687 -26.644 -18.329 1.00 21.76 C +ATOM 726 O ASP C 104 38.173 -26.249 -17.273 1.00 22.37 O +ATOM 727 CB ASP C 104 38.030 -29.005 -19.036 1.00 17.75 C +ATOM 728 CG ASP C 104 38.358 -29.490 -17.699 1.00 23.30 C +ATOM 729 OD1 ASP C 104 39.542 -29.804 -17.480 1.00 28.46 O +ATOM 730 OD2 ASP C 104 37.450 -29.516 -16.863 1.00 25.74 O +ATOM 731 N PHE C 105 36.478 -26.302 -18.768 1.00 23.60 N +ATOM 732 CA PHE C 105 35.600 -25.374 -18.085 1.00 24.60 C +ATOM 733 C PHE C 105 35.430 -25.678 -16.591 1.00 26.36 C +ATOM 734 O PHE C 105 35.573 -24.788 -15.763 1.00 30.54 O +ATOM 735 CB PHE C 105 34.210 -25.363 -18.779 1.00 29.35 C +ATOM 736 CG PHE C 105 33.175 -24.582 -18.029 1.00 22.91 C +ATOM 737 CD1 PHE C 105 33.063 -23.230 -18.212 1.00 33.83 C +ATOM 738 CD2 PHE C 105 32.378 -25.183 -17.094 1.00 25.74 C +ATOM 739 CE1 PHE C 105 32.143 -22.517 -17.500 1.00 35.16 C +ATOM 740 CE2 PHE C 105 31.486 -24.456 -16.376 1.00 27.69 C +ATOM 741 CZ PHE C 105 31.378 -23.132 -16.576 1.00 29.37 C +ATOM 742 N VAL C 106 35.126 -26.915 -16.250 1.00 21.60 N +ATOM 743 CA VAL C 106 34.892 -27.279 -14.859 1.00 22.25 C +ATOM 744 C VAL C 106 36.116 -27.017 -14.009 1.00 24.97 C +ATOM 745 O VAL C 106 35.989 -26.491 -12.913 1.00 31.22 O +ATOM 746 CB VAL C 106 34.466 -28.743 -14.748 1.00 27.28 C +ATOM 747 CG1 VAL C 106 34.588 -29.253 -13.314 1.00 32.44 C +ATOM 748 CG2 VAL C 106 33.055 -28.911 -15.287 1.00 29.41 C +ATOM 749 N ASP C 107 37.298 -27.384 -14.503 1.00 23.35 N +ATOM 750 CA ASP C 107 38.550 -27.230 -13.744 1.00 21.58 C +ATOM 751 C ASP C 107 39.083 -25.768 -13.774 1.00 28.40 C +ATOM 752 O ASP C 107 39.646 -25.289 -12.788 1.00 29.60 O +ATOM 753 CB ASP C 107 39.643 -28.149 -14.312 1.00 20.72 C +ATOM 754 CG ASP C 107 39.407 -29.618 -13.996 1.00 31.36 C +ATOM 755 OD1 ASP C 107 39.297 -29.976 -12.814 1.00 37.36 O +ATOM 756 OD2 ASP C 107 39.338 -30.423 -14.930 1.00 32.83 O +ATOM 757 N ALA C 108 38.957 -25.096 -14.919 1.00 25.47 N +ATOM 758 CA ALA C 108 39.538 -23.757 -15.092 1.00 25.45 C +ATOM 759 C ALA C 108 38.823 -22.837 -14.193 1.00 27.54 C +ATOM 760 O ALA C 108 39.434 -21.942 -13.593 1.00 38.08 O +ATOM 761 CB ALA C 108 39.396 -23.252 -16.514 1.00 19.27 C +ATOM 762 N CYS C 109 37.525 -23.065 -14.079 1.00 29.07 N +ATOM 763 CA CYS C 109 36.659 -22.145 -13.399 1.00 29.80 C +ATOM 764 C CYS C 109 36.400 -22.523 -11.937 1.00 36.79 C +ATOM 765 O CYS C 109 35.895 -21.708 -11.171 1.00 42.52 O +ATOM 766 CB CYS C 109 35.353 -22.047 -14.188 1.00 29.35 C +ATOM 767 SG CYS C 109 35.616 -21.418 -15.900 1.00 32.10 S +ATOM 768 N GLY C 110 36.756 -23.743 -11.528 1.00 38.44 N +ATOM 769 CA GLY C 110 36.408 -24.221 -10.179 1.00 32.79 C +ATOM 770 C GLY C 110 34.896 -24.314 -9.996 1.00 33.90 C +ATOM 771 O GLY C 110 34.375 -23.965 -8.937 1.00 34.00 O +ATOM 772 N TYR C 111 34.199 -24.781 -11.035 1.00 30.03 N +ATOM 773 CA TYR C 111 32.741 -24.887 -11.017 1.00 31.97 C +ATOM 774 C TYR C 111 32.249 -26.127 -10.296 1.00 34.86 C +ATOM 775 O TYR C 111 32.760 -27.211 -10.519 1.00 37.17 O +ATOM 776 CB TYR C 111 32.193 -24.952 -12.455 1.00 31.82 C +ATOM 777 CG TYR C 111 30.690 -25.166 -12.520 1.00 31.91 C +ATOM 778 CD1 TYR C 111 29.820 -24.079 -12.537 1.00 38.55 C +ATOM 779 CD2 TYR C 111 30.138 -26.451 -12.508 1.00 39.97 C +ATOM 780 CE1 TYR C 111 28.428 -24.263 -12.567 1.00 32.22 C +ATOM 781 CE2 TYR C 111 28.760 -26.643 -12.548 1.00 41.10 C +ATOM 782 CZ TYR C 111 27.913 -25.543 -12.578 1.00 34.47 C +ATOM 783 OH TYR C 111 26.547 -25.745 -12.600 1.00 43.30 O +ATOM 784 N SER C 112 31.230 -25.963 -9.462 1.00 48.75 N +ATOM 785 CA SER C 112 30.331 -27.062 -9.105 1.00 57.27 C +ATOM 786 C SER C 112 29.000 -26.454 -8.674 1.00 66.80 C +ATOM 787 O SER C 112 28.923 -25.243 -8.452 1.00 68.27 O +ATOM 788 CB SER C 112 30.930 -27.952 -8.007 1.00 59.45 C +ATOM 789 OG SER C 112 31.518 -27.184 -6.978 1.00 55.53 O +ATOM 790 N ASP C 113 27.951 -27.272 -8.587 1.00 75.09 N +ATOM 791 CA ASP C 113 26.657 -26.803 -8.050 1.00 80.50 C +ATOM 792 C ASP C 113 26.561 -27.160 -6.553 1.00 82.25 C +ATOM 793 O ASP C 113 26.988 -28.250 -6.155 1.00 76.70 O +ATOM 794 CB ASP C 113 25.443 -27.321 -8.854 1.00 81.06 C +ATOM 795 CG ASP C 113 25.677 -28.689 -9.489 1.00 86.84 C +ATOM 796 OD1 ASP C 113 26.681 -28.847 -10.225 1.00 94.35 O +ATOM 797 OD2 ASP C 113 24.846 -29.599 -9.264 1.00 78.45 O +ATOM 798 N PRO C 114 26.019 -26.235 -5.720 1.00 87.84 N +ATOM 799 CA PRO C 114 26.109 -26.362 -4.259 1.00 88.86 C +ATOM 800 C PRO C 114 24.892 -27.025 -3.606 1.00 86.39 C +ATOM 801 O PRO C 114 24.116 -27.699 -4.281 1.00 83.12 O +ATOM 802 CB PRO C 114 26.233 -24.899 -3.797 1.00 89.67 C +ATOM 803 CG PRO C 114 25.642 -24.051 -4.954 1.00 91.37 C +ATOM 804 CD PRO C 114 25.286 -25.006 -6.082 1.00 89.15 C Added: SwiftApps/modFTdock/input/2x7a-2.pdb =================================================================== --- SwiftApps/modFTdock/input/2x7a-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/2x7a-2.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,741 @@ +ATOM 1 N ALA C 89 31.330 66.575 85.569 1.00 40.94 N +ATOM 2 CA ALA C 89 30.178 67.440 85.321 1.00 46.87 C +ATOM 3 C ALA C 89 29.629 67.284 83.901 1.00 42.69 C +ATOM 4 O ALA C 89 28.419 67.306 83.696 1.00 41.73 O +ATOM 5 CB ALA C 89 30.513 68.886 85.595 1.00 52.39 C +ATOM 6 N THR C 90 30.496 67.156 82.894 1.00 62.87 N +ATOM 7 CA THR C 90 29.954 67.005 81.555 1.00 57.85 C +ATOM 8 C THR C 90 29.280 65.633 81.422 1.00 37.30 C +ATOM 9 O THR C 90 28.221 65.538 80.847 1.00 35.07 O +ATOM 10 CB THR C 90 30.930 67.427 80.401 1.00 52.58 C +ATOM 11 OG1 THR C 90 30.793 66.561 79.266 1.00 38.34 O +ATOM 12 CG2 THR C 90 32.320 67.384 80.834 1.00 61.99 C +ATOM 13 N CYS C 91 29.825 64.577 82.007 1.00 59.50 N +ATOM 14 CA CYS C 91 29.048 63.337 82.023 1.00 46.21 C +ATOM 15 C CYS C 91 27.588 63.533 82.539 1.00 44.23 C +ATOM 16 O CYS C 91 26.645 63.015 81.944 1.00 38.25 O +ATOM 17 CB CYS C 91 29.759 62.223 82.781 1.00 80.49 C +ATOM 18 SG CYS C 91 28.707 60.802 83.007 1.00 78.35 S +ATOM 19 N ASN C 92 27.414 64.276 83.634 1.00 47.38 N +ATOM 20 CA ASN C 92 26.090 64.616 84.166 1.00 50.56 C +ATOM 21 C ASN C 92 25.147 65.317 83.202 1.00 59.39 C +ATOM 22 O ASN C 92 23.982 64.943 83.102 1.00 55.53 O +ATOM 23 CB ASN C 92 26.240 65.465 85.425 1.00 54.18 C +ATOM 24 CG ASN C 92 26.566 64.629 86.647 1.00 45.75 C +ATOM 25 OD1 ASN C 92 25.891 63.641 86.928 1.00 40.25 O +ATOM 26 ND2 ASN C 92 27.599 65.013 87.376 1.00 51.96 N +ATOM 27 N HIS C 93 25.657 66.338 82.505 1.00 47.67 N +ATOM 28 CA HIS C 93 24.878 67.061 81.504 1.00 59.29 C +ATOM 29 C HIS C 93 24.503 66.078 80.402 1.00 40.81 C +ATOM 30 O HIS C 93 23.392 66.091 79.879 1.00 44.20 O +ATOM 31 CB HIS C 93 25.664 68.233 80.904 1.00 84.21 C +ATOM 32 CG HIS C 93 25.880 69.378 81.841 1.00113.98 C +ATOM 33 ND1 HIS C 93 24.896 70.291 82.145 1.00139.85 N +ATOM 34 CD2 HIS C 93 26.985 69.779 82.521 1.00125.84 C +ATOM 35 CE1 HIS C 93 25.374 71.193 82.984 1.00158.32 C +ATOM 36 NE2 HIS C 93 26.641 70.901 83.226 1.00155.35 N +ATOM 37 N THR C 94 25.425 65.206 80.049 1.00 65.58 N +ATOM 38 CA THR C 94 25.094 64.268 79.034 1.00 52.07 C +ATOM 39 C THR C 94 23.903 63.404 79.477 1.00 43.50 C +ATOM 40 O THR C 94 22.920 63.282 78.725 1.00 43.29 O +ATOM 41 CB THR C 94 26.266 63.396 78.680 1.00 51.98 C +ATOM 42 OG1 THR C 94 27.403 64.215 78.390 1.00 63.62 O +ATOM 43 CG2 THR C 94 25.928 62.587 77.461 1.00 44.56 C +ATOM 44 N VAL C 95 23.972 62.807 80.677 1.00 45.34 N +ATOM 45 CA VAL C 95 22.882 61.961 81.176 1.00 38.70 C +ATOM 46 C VAL C 95 21.558 62.695 81.152 1.00 51.11 C +ATOM 47 O VAL C 95 20.530 62.155 80.764 1.00 46.92 O +ATOM 48 CB VAL C 95 23.117 61.485 82.595 1.00 27.22 C +ATOM 49 CG1 VAL C 95 21.815 61.119 83.250 1.00 25.66 C +ATOM 50 CG2 VAL C 95 24.041 60.249 82.610 1.00 22.42 C +ATOM 59 N ALA C 97 20.767 65.177 79.106 1.00 44.68 N +ATOM 60 CA ALA C 97 20.374 65.382 77.733 1.00 48.82 C +ATOM 61 C ALA C 97 19.685 64.125 77.202 1.00 33.09 C +ATOM 62 O ALA C 97 18.542 64.178 76.732 1.00 41.94 O +ATOM 63 CB ALA C 97 21.564 65.721 76.916 1.00 38.46 C +ATOM 64 N LEU C 98 20.366 62.987 77.326 1.00 55.71 N +ATOM 65 CA LEU C 98 19.844 61.722 76.845 1.00 41.64 C +ATOM 66 C LEU C 98 18.493 61.349 77.460 1.00 43.87 C +ATOM 67 O LEU C 98 17.610 60.891 76.759 1.00 41.84 O +ATOM 68 CB LEU C 98 20.882 60.607 77.015 1.00 37.91 C +ATOM 69 CG LEU C 98 22.109 60.660 76.070 1.00 36.67 C +ATOM 70 CD1 LEU C 98 23.249 59.783 76.557 1.00 35.87 C +ATOM 71 CD2 LEU C 98 21.758 60.259 74.662 1.00 29.40 C +ATOM 80 N ALA C 100 16.295 63.371 78.362 1.00 41.03 N +ATOM 81 CA ALA C 100 15.398 64.309 77.723 1.00 63.20 C +ATOM 82 C ALA C 100 15.099 63.855 76.301 1.00 56.90 C +ATOM 83 O ALA C 100 13.952 63.834 75.874 1.00 64.20 O +ATOM 84 CB ALA C 100 16.019 65.673 77.724 1.00 59.44 C +ATOM 85 N SER C 101 16.130 63.479 75.565 1.00 67.15 N +ATOM 86 CA SER C 101 15.902 63.001 74.222 1.00 61.10 C +ATOM 87 C SER C 101 14.940 61.822 74.234 1.00 53.62 C +ATOM 88 O SER C 101 14.081 61.715 73.380 1.00 59.51 O +ATOM 89 CB SER C 101 17.211 62.590 73.569 1.00 66.86 C +ATOM 90 OG SER C 101 18.190 63.573 73.798 1.00 78.42 O +ATOM 91 N LEU C 102 15.093 60.932 75.201 1.00 59.26 N +ATOM 92 CA LEU C 102 14.350 59.687 75.217 1.00 51.51 C +ATOM 93 C LEU C 102 12.867 59.888 75.532 1.00 67.97 C +ATOM 94 O LEU C 102 12.039 59.111 75.090 1.00 66.40 O +ATOM 95 CB LEU C 102 14.998 58.752 76.214 1.00 42.65 C +ATOM 96 CG LEU C 102 14.407 57.365 76.292 1.00 37.90 C +ATOM 97 CD1 LEU C 102 14.284 56.793 74.913 1.00 41.19 C +ATOM 98 CD2 LEU C 102 15.309 56.510 77.104 1.00 29.39 C +ATOM 99 N ASP C 103 12.551 60.928 76.306 1.00 35.53 N +ATOM 100 CA ASP C 103 11.193 61.391 76.548 1.00 56.92 C +ATOM 101 C ASP C 103 10.628 61.940 75.257 1.00 64.24 C +ATOM 102 O ASP C 103 9.509 61.633 74.869 1.00 68.49 O +ATOM 103 CB ASP C 103 11.198 62.521 77.575 1.00 81.15 C +ATOM 104 CG ASP C 103 11.327 62.030 79.006 1.00 79.73 C +ATOM 105 OD1 ASP C 103 11.095 60.828 79.272 1.00 67.47 O +ATOM 106 OD2 ASP C 103 11.648 62.869 79.877 1.00 99.00 O +ATOM 107 N ALA C 104 11.414 62.778 74.598 1.00 62.75 N +ATOM 108 CA ALA C 104 11.018 63.343 73.321 1.00 66.35 C +ATOM 109 C ALA C 104 10.753 62.237 72.310 1.00 55.30 C +ATOM 110 O ALA C 104 9.738 62.234 71.639 1.00 60.33 O +ATOM 111 CB ALA C 104 12.080 64.306 72.811 1.00 55.81 C +ATOM 112 N GLU C 105 11.664 61.294 72.202 1.00 69.52 N +ATOM 113 CA GLU C 105 11.489 60.226 71.258 1.00 61.46 C +ATOM 114 C GLU C 105 10.235 59.498 71.619 1.00 64.20 C +ATOM 115 O GLU C 105 9.434 59.194 70.762 1.00 65.10 O +ATOM 116 CB GLU C 105 12.676 59.267 71.323 1.00 70.85 C +ATOM 117 CG GLU C 105 12.620 58.115 70.342 1.00 64.38 C +ATOM 118 CD GLU C 105 12.576 58.595 68.888 1.00 74.86 C +ATOM 119 OE1 GLU C 105 12.846 59.802 68.635 1.00 81.94 O +ATOM 120 OE2 GLU C 105 12.261 57.764 67.998 1.00 70.44 O +ATOM 121 N LYS C 106 10.053 59.233 72.904 1.00 81.92 N +ATOM 122 CA LYS C 106 8.925 58.433 73.351 1.00 85.08 C +ATOM 123 C LYS C 106 7.596 59.092 73.075 1.00 98.60 C +ATOM 124 O LYS C 106 6.658 58.433 72.655 1.00 96.38 O +ATOM 125 CB LYS C 106 9.047 58.100 74.827 1.00 86.45 C +ATOM 126 CG LYS C 106 9.579 56.709 75.065 1.00 69.57 C +ATOM 127 CD LYS C 106 9.714 56.427 76.540 1.00 68.65 C +ATOM 128 CE LYS C 106 11.138 56.015 76.897 1.00 60.41 C +ATOM 129 NZ LYS C 106 11.345 56.073 78.390 1.00 58.44 N +ATOM 130 N ALA C 107 7.509 60.389 73.321 1.00 61.63 N +ATOM 131 CA ALA C 107 6.304 61.133 72.988 1.00 70.90 C +ATOM 132 C ALA C 107 6.036 61.134 71.475 1.00 70.15 C +ATOM 133 O ALA C 107 4.954 60.730 71.030 1.00 73.30 O +ATOM 134 CB ALA C 107 6.402 62.528 73.496 1.00 42.21 C +ATOM 135 N GLN C 108 7.010 61.595 70.689 1.00 79.78 N +ATOM 136 CA GLN C 108 6.878 61.557 69.239 1.00 81.47 C +ATOM 137 C GLN C 108 6.264 60.229 68.833 1.00 73.70 C +ATOM 138 O GLN C 108 5.221 60.188 68.201 1.00 75.58 O +ATOM 139 CB GLN C 108 8.225 61.747 68.546 1.00121.54 C +ATOM 140 CG GLN C 108 8.174 61.520 67.040 1.00126.19 C +ATOM 141 CD GLN C 108 9.552 61.496 66.402 1.00132.25 C +ATOM 142 OE1 GLN C 108 10.527 61.985 66.977 1.00138.42 O +ATOM 143 NE2 GLN C 108 9.640 60.924 65.205 1.00126.64 N +ATOM 144 N GLY C 109 6.898 59.136 69.221 1.00 75.20 N +ATOM 145 CA GLY C 109 6.345 57.823 68.943 1.00 69.18 C +ATOM 146 C GLY C 109 4.976 57.612 69.576 1.00 70.93 C +ATOM 147 O GLY C 109 4.071 57.081 68.948 1.00 69.27 O +ATOM 148 N GLN C 110 4.820 58.015 70.830 1.00 85.88 N +ATOM 149 CA GLN C 110 3.562 57.796 71.523 1.00 91.11 C +ATOM 150 C GLN C 110 2.454 58.407 70.697 1.00 97.77 C +ATOM 151 O GLN C 110 1.398 57.806 70.534 1.00 97.46 O +ATOM 152 CB GLN C 110 3.591 58.416 72.917 1.00151.02 C +ATOM 153 CG GLN C 110 3.119 57.487 74.022 1.00163.76 C +ATOM 154 CD GLN C 110 3.858 57.723 75.330 1.00169.78 C +ATOM 155 OE1 GLN C 110 4.763 56.969 75.692 1.00165.64 O +ATOM 156 NE2 GLN C 110 3.482 58.779 76.040 1.00166.22 N +ATOM 157 N LYS C 111 2.714 59.592 70.150 1.00 92.72 N +ATOM 158 CA LYS C 111 1.697 60.326 69.396 1.00104.70 C +ATOM 159 C LYS C 111 1.388 59.712 68.026 1.00 98.95 C +ATOM 160 O LYS C 111 0.263 59.269 67.784 1.00 96.49 O +ATOM 161 CB LYS C 111 2.047 61.821 69.277 1.00104.92 C +ATOM 162 CG LYS C 111 2.752 62.242 67.990 1.00115.54 C +ATOM 163 CD LYS C 111 3.037 63.751 67.939 1.00131.97 C +ATOM 164 CE LYS C 111 1.781 64.578 67.667 1.00150.65 C +ATOM 165 NZ LYS C 111 2.087 66.031 67.523 1.00162.56 N +ATOM 166 N LYS C 112 2.380 59.668 67.141 1.00114.60 N +ATOM 167 CA LYS C 112 2.139 59.236 65.775 1.00110.43 C +ATOM 168 C LYS C 112 1.650 57.799 65.713 1.00100.49 C +ATOM 169 O LYS C 112 1.366 57.301 64.634 1.00101.86 O +ATOM 170 CB LYS C 112 3.380 59.429 64.898 1.00137.79 C +ATOM 171 CG LYS C 112 4.334 58.239 64.867 1.00130.92 C +ATOM 172 CD LYS C 112 5.754 58.667 64.453 1.00142.93 C +ATOM 173 CE LYS C 112 6.821 58.076 65.389 1.00136.39 C +ATOM 174 NZ LYS C 112 8.158 58.724 65.247 1.00139.35 N +ATOM 175 N VAL C 113 1.551 57.128 66.858 1.00 80.63 N +ATOM 176 CA VAL C 113 0.926 55.806 66.898 1.00 74.89 C +ATOM 177 C VAL C 113 -0.559 55.920 67.206 1.00 81.95 C +ATOM 178 O VAL C 113 -1.395 55.252 66.589 1.00 78.55 O +ATOM 179 CB VAL C 113 1.541 54.879 67.951 1.00 67.20 C +ATOM 180 CG1 VAL C 113 0.442 54.170 68.713 1.00 67.44 C +ATOM 181 CG2 VAL C 113 2.401 53.846 67.293 1.00 62.07 C +ATOM 182 N GLU C 114 -0.889 56.759 68.178 1.00 97.29 N +ATOM 183 CA GLU C 114 -2.279 56.970 68.506 1.00103.49 C +ATOM 184 C GLU C 114 -3.021 57.275 67.219 1.00107.04 C +ATOM 185 O GLU C 114 -3.967 56.573 66.867 1.00104.55 O +ATOM 186 CB GLU C 114 -2.432 58.075 69.547 1.00123.20 C +ATOM 187 CG GLU C 114 -1.916 57.639 70.911 1.00123.91 C +ATOM 188 CD GLU C 114 -2.154 58.663 72.001 1.00138.84 C +ATOM 189 OE1 GLU C 114 -2.914 59.625 71.758 1.00146.07 O +ATOM 190 OE2 GLU C 114 -1.582 58.500 73.103 1.00144.07 O +ATOM 191 N GLU C 115 -2.566 58.280 66.481 1.00 92.19 N +ATOM 192 CA GLU C 115 -3.219 58.578 65.216 1.00 97.72 C +ATOM 193 C GLU C 115 -3.304 57.351 64.294 1.00 87.05 C +ATOM 194 O GLU C 115 -4.399 56.972 63.877 1.00 86.91 O +ATOM 195 CB GLU C 115 -2.614 59.802 64.523 1.00109.75 C +ATOM 196 CG GLU C 115 -1.240 59.624 63.939 1.00119.50 C +ATOM 197 CD GLU C 115 -0.621 60.958 63.563 1.00130.41 C +ATOM 198 OE1 GLU C 115 -0.656 61.886 64.402 1.00131.42 O +ATOM 199 OE2 GLU C 115 -0.104 61.082 62.432 1.00140.83 O +ATOM 200 N LEU C 116 -2.186 56.706 63.989 1.00 99.51 N +ATOM 201 CA LEU C 116 -2.287 55.508 63.160 1.00 92.29 C +ATOM 202 C LEU C 116 -3.423 54.596 63.634 1.00 87.41 C +ATOM 203 O LEU C 116 -4.196 54.085 62.821 1.00 86.52 O +ATOM 204 CB LEU C 116 -0.972 54.733 63.092 1.00 71.27 C +ATOM 205 CG LEU C 116 0.081 55.250 62.111 1.00 76.18 C +ATOM 206 CD1 LEU C 116 0.611 54.119 61.249 1.00 89.00 C +ATOM 207 CD2 LEU C 116 -0.495 56.370 61.255 1.00 73.52 C +ATOM 208 N GLU C 117 -3.534 54.408 64.945 1.00 92.74 N +ATOM 209 CA GLU C 117 -4.614 53.595 65.504 1.00 90.90 C +ATOM 210 C GLU C 117 -5.991 54.275 65.407 1.00 95.80 C +ATOM 211 O GLU C 117 -7.016 53.598 65.255 1.00 93.68 O +ATOM 212 CB GLU C 117 -4.307 53.207 66.947 1.00105.16 C +ATOM 213 CG GLU C 117 -3.638 51.864 67.089 1.00103.63 C +ATOM 214 CD GLU C 117 -3.034 51.685 68.461 1.00107.69 C +ATOM 215 OE1 GLU C 117 -2.691 52.710 69.088 1.00106.72 O +ATOM 216 OE2 GLU C 117 -2.899 50.527 68.911 1.00113.41 O +ATOM 217 N GLY C 118 -6.007 55.603 65.499 1.00117.60 N +ATOM 218 CA GLY C 118 -7.224 56.368 65.295 1.00125.62 C +ATOM 219 C GLY C 118 -7.821 56.064 63.932 1.00127.69 C +ATOM 220 O GLY C 118 -9.028 55.819 63.801 1.00128.61 O +ATOM 221 N GLU C 119 -6.962 56.067 62.916 1.00106.88 N +ATOM 222 CA GLU C 119 -7.370 55.749 61.557 1.00110.25 C +ATOM 223 C GLU C 119 -7.693 54.272 61.399 1.00101.73 C +ATOM 224 O GLU C 119 -8.663 53.920 60.732 1.00103.17 O +ATOM 225 CB GLU C 119 -6.287 56.155 60.573 1.00114.29 C +ATOM 226 CG GLU C 119 -5.926 57.617 60.663 1.00127.72 C +ATOM 227 CD GLU C 119 -4.697 57.953 59.849 1.00134.37 C +ATOM 228 OE1 GLU C 119 -4.202 57.058 59.127 1.00126.44 O +ATOM 229 OE2 GLU C 119 -4.225 59.109 59.934 1.00147.85 O +ATOM 230 N ILE C 120 -6.891 53.405 62.005 1.00111.78 N +ATOM 231 CA ILE C 120 -7.184 51.979 61.942 1.00107.99 C +ATOM 232 C ILE C 120 -8.614 51.688 62.390 1.00110.93 C +ATOM 233 O ILE C 120 -9.292 50.851 61.796 1.00111.22 O +ATOM 234 CB ILE C 120 -6.234 51.147 62.803 1.00 96.91 C +ATOM 235 CG1 ILE C 120 -4.794 51.282 62.302 1.00 94.81 C +ATOM 236 CG2 ILE C 120 -6.668 49.686 62.809 1.00 96.02 C +ATOM 237 CD1 ILE C 120 -4.496 50.477 61.064 1.00 93.83 C +ATOM 238 N THR C 121 -9.076 52.370 63.436 1.00139.00 N +ATOM 239 CA THR C 121 -10.441 52.159 63.926 1.00142.92 C +ATOM 240 C THR C 121 -11.484 52.752 62.978 1.00147.74 C +ATOM 241 O THR C 121 -12.406 52.056 62.547 1.00147.69 O +ATOM 242 CB THR C 121 -10.646 52.727 65.344 1.00 97.75 C +ATOM 243 OG1 THR C 121 -9.860 51.976 66.277 1.00 95.87 O +ATOM 244 CG2 THR C 121 -12.119 52.635 65.747 1.00102.46 C +ATOM 245 N THR C 122 -11.332 54.038 62.666 1.00151.22 N +ATOM 246 CA THR C 122 -12.197 54.714 61.705 1.00160.06 C +ATOM 247 C THR C 122 -12.545 53.780 60.563 1.00159.07 C +ATOM 248 O THR C 122 -13.701 53.417 60.351 1.00161.23 O +ATOM 249 CB THR C 122 -11.499 55.942 61.087 1.00111.16 C +ATOM 250 OG1 THR C 122 -11.351 56.963 62.078 1.00115.64 O +ATOM 251 CG2 THR C 122 -12.313 56.494 59.930 1.00122.40 C +ATOM 252 N LEU C 123 -11.512 53.395 59.832 1.00155.60 N +ATOM 253 CA LEU C 123 -11.664 52.561 58.658 1.00156.50 C +ATOM 254 C LEU C 123 -12.238 51.191 59.019 1.00150.98 C +ATOM 255 O LEU C 123 -13.028 50.631 58.263 1.00153.40 O +ATOM 256 CB LEU C 123 -10.316 52.428 57.950 1.00131.88 C +ATOM 257 CG LEU C 123 -9.778 53.649 57.186 1.00141.87 C +ATOM 258 CD1 LEU C 123 -10.246 54.964 57.789 1.00149.63 C +ATOM 259 CD2 LEU C 123 -8.256 53.622 57.090 1.00136.86 C +ATOM 260 N ASN C 124 -11.859 50.668 60.181 1.00117.63 N +ATOM 261 CA ASN C 124 -12.313 49.347 60.622 1.00117.56 C +ATOM 262 C ASN C 124 -13.836 49.251 60.812 1.00122.19 C +ATOM 263 O ASN C 124 -14.450 48.221 60.515 1.00124.77 O +ATOM 264 CB ASN C 124 -11.588 48.940 61.908 1.00123.33 C +ATOM 265 CG ASN C 124 -11.790 47.475 62.260 1.00128.56 C +ATOM 266 OD1 ASN C 124 -12.538 46.759 61.595 1.00131.29 O +ATOM 267 ND2 ASN C 124 -11.118 47.024 63.316 1.00132.75 N +ATOM 268 N HIS C 125 -14.444 50.320 61.315 1.00144.58 N +ATOM 269 CA HIS C 125 -15.894 50.363 61.435 1.00149.02 C +ATOM 270 C HIS C 125 -16.514 50.408 60.047 1.00154.52 C +ATOM 271 O HIS C 125 -17.531 49.768 59.791 1.00159.91 O +ATOM 272 CB HIS C 125 -16.339 51.590 62.228 1.00141.79 C +ATOM 273 CG HIS C 125 -15.942 51.562 63.671 1.00138.29 C +ATOM 274 ND1 HIS C 125 -15.854 52.705 64.437 1.00131.91 N +ATOM 275 CD2 HIS C 125 -15.615 50.533 64.489 1.00142.20 C +ATOM 276 CE1 HIS C 125 -15.490 52.381 65.665 1.00133.24 C +ATOM 277 NE2 HIS C 125 -15.338 51.070 65.723 1.00138.76 N +ATOM 278 N LYS C 126 -15.890 51.175 59.156 1.00120.40 N +ATOM 279 CA LYS C 126 -16.373 51.318 57.787 1.00127.74 C +ATOM 280 C LYS C 126 -16.619 49.976 57.127 1.00127.22 C +ATOM 281 O LYS C 126 -17.593 49.807 56.402 1.00131.63 O +ATOM 282 CB LYS C 126 -15.384 52.115 56.935 1.00 95.37 C +ATOM 283 CG LYS C 126 -15.654 53.609 56.912 1.00103.40 C +ATOM 284 CD LYS C 126 -14.692 54.333 55.973 1.00108.56 C +ATOM 285 CE LYS C 126 -14.865 55.839 56.075 1.00120.96 C +ATOM 286 NZ LYS C 126 -14.876 56.281 57.502 1.00114.80 N +ATOM 287 N LEU C 127 -15.730 49.023 57.378 1.00134.35 N +ATOM 288 CA LEU C 127 -15.810 47.723 56.717 1.00138.70 C +ATOM 289 C LEU C 127 -16.723 46.734 57.432 1.00141.62 C +ATOM 290 O LEU C 127 -17.129 45.725 56.855 1.00196.35 O +ATOM 291 CB LEU C 127 -14.421 47.120 56.536 1.00137.48 C +ATOM 292 CG LEU C 127 -13.484 48.041 55.768 1.00133.80 C +ATOM 293 CD1 LEU C 127 -12.468 47.205 55.024 1.00133.55 C +ATOM 294 CD2 LEU C 127 -14.271 48.910 54.811 1.00136.65 C +ATOM 295 N GLN C 128 -17.043 47.021 58.687 1.00196.08 N +ATOM 296 CA GLN C 128 -17.996 46.194 59.404 1.00199.40 C +ATOM 297 C GLN C 128 -19.409 46.561 58.954 1.00201.44 C +ATOM 298 O GLN C 128 -20.326 45.742 59.017 1.00269.11 O +ATOM 299 CB GLN C 128 -17.829 46.341 60.917 1.00197.15 C +ATOM 300 CG GLN C 128 -18.303 45.128 61.695 1.00200.64 C +ATOM 301 CD GLN C 128 -17.720 43.836 61.151 1.00204.82 C +ATOM 302 OE1 GLN C 128 -16.813 43.252 61.744 1.00205.73 O +ATOM 303 NE2 GLN C 128 -18.237 43.386 60.011 1.00207.87 N +ATOM 304 N ASP C 129 -19.568 47.794 58.476 1.00147.99 N +ATOM 305 CA ASP C 129 -20.844 48.243 57.925 1.00149.90 C +ATOM 306 C ASP C 129 -21.021 47.822 56.457 1.00153.46 C +ATOM 307 O ASP C 129 -22.138 47.562 56.007 1.00226.44 O +ATOM 308 CB ASP C 129 -21.064 49.762 58.143 1.00146.56 C +ATOM 309 CG ASP C 129 -20.379 50.647 57.086 1.00143.22 C +ATOM 310 OD1 ASP C 129 -20.065 51.812 57.416 1.00143.12 O +ATOM 311 OD2 ASP C 129 -20.173 50.213 55.931 1.00141.25 O +ATOM 312 N ALA C 130 -19.917 47.745 55.719 1.00120.12 N +ATOM 313 CA ALA C 130 -19.968 47.286 54.339 1.00125.44 C +ATOM 314 C ALA C 130 -20.374 45.818 54.302 1.00132.50 C +ATOM 315 O ALA C 130 -21.302 45.442 53.582 1.00138.83 O +ATOM 316 CB ALA C 130 -18.634 47.489 53.651 1.00123.84 C +ATOM 317 N SER C 131 -19.694 44.992 55.092 1.00161.30 N +ATOM 318 CA SER C 131 -20.004 43.563 55.160 1.00167.12 C +ATOM 319 C SER C 131 -21.495 43.294 55.400 1.00171.70 C +ATOM 320 O SER C 131 -22.044 42.308 54.907 1.00217.17 O +ATOM 321 CB SER C 131 -19.153 42.873 56.235 1.00166.26 C +ATOM 322 OG SER C 131 -19.362 43.451 57.513 1.00165.10 O +ATOM 323 N ALA C 132 -22.139 44.182 56.151 1.00137.20 N +ATOM 324 CA ALA C 132 -23.553 44.049 56.483 1.00141.52 C +ATOM 325 C ALA C 132 -24.455 44.199 55.262 1.00142.86 C +ATOM 326 O ALA C 132 -25.428 43.465 55.105 1.00220.30 O +ATOM 327 CB ALA C 132 -23.935 45.054 57.565 1.00139.42 C +ATOM 328 N GLU C 133 -24.125 45.160 54.404 1.00257.96 N +ATOM 329 CA GLU C 133 -24.864 45.374 53.159 1.00259.14 C +ATOM 330 C GLU C 133 -24.775 44.138 52.292 1.00263.75 C +ATOM 331 O GLU C 133 -25.770 43.705 51.720 1.00316.58 O +ATOM 332 CB GLU C 133 -24.331 46.577 52.383 1.00147.50 C +ATOM 333 CG GLU C 133 -24.398 47.869 53.161 1.00147.09 C +ATOM 334 CD GLU C 133 -24.775 49.068 52.315 1.00147.90 C +ATOM 335 OE1 GLU C 133 -24.171 49.254 51.240 1.00146.76 O +ATOM 336 OE2 GLU C 133 -25.699 49.802 52.726 1.00149.80 O +ATOM 337 N VAL C 134 -23.586 43.550 52.232 1.00259.35 N +ATOM 338 CA VAL C 134 -23.383 42.314 51.486 1.00264.13 C +ATOM 339 C VAL C 134 -24.312 41.214 51.981 1.00271.17 C +ATOM 340 O VAL C 134 -24.949 40.521 51.191 1.00345.71 O +ATOM 341 CB VAL C 134 -21.898 41.841 51.549 1.00149.34 C +ATOM 342 CG1 VAL C 134 -21.745 40.408 51.003 1.00149.87 C +ATOM 343 CG2 VAL C 134 -20.975 42.861 50.878 1.00147.02 C +ATOM 344 N GLU C 135 -24.373 41.067 53.297 1.00344.63 N +ATOM 345 CA GLU C 135 -25.226 40.086 53.948 1.00351.92 C +ATOM 346 C GLU C 135 -26.695 40.414 53.732 1.00356.46 C +ATOM 347 O GLU C 135 -27.529 39.521 53.515 1.00432.64 O +ATOM 348 CB GLU C 135 -24.887 40.043 55.434 1.00178.99 C +ATOM 349 CG GLU C 135 -23.474 39.553 55.686 1.00176.03 C +ATOM 350 CD GLU C 135 -23.023 39.631 57.139 1.00174.68 C +ATOM 351 OE1 GLU C 135 -23.909 39.581 58.014 1.00176.45 O +ATOM 352 OE2 GLU C 135 -21.793 39.761 57.387 1.00171.91 O +ATOM 353 N ARG C 136 -26.987 41.708 53.707 1.00236.73 N +ATOM 354 CA ARG C 136 -28.336 42.158 53.434 1.00240.68 C +ATOM 355 C ARG C 136 -28.395 42.901 52.112 1.00241.54 C +ATOM 356 O ARG C 136 -28.020 42.355 51.075 1.00296.12 O +ATOM 357 CB ARG C 136 -28.853 43.026 54.572 1.00133.73 C +ATOM 358 CG ARG C 136 -29.914 42.348 55.357 1.00136.27 C +ATOM 359 CD ARG C 136 -30.337 43.160 56.555 1.00136.61 C +ATOM 360 NE ARG C 136 -31.692 42.801 56.959 1.00139.87 N +ATOM 361 CZ ARG C 136 -32.097 42.764 58.221 1.00140.49 C +ATOM 362 NH1 ARG C 136 -31.226 43.043 59.187 1.00138.06 N +ATOM 363 NH2 ARG C 136 -33.357 42.447 58.513 1.00143.57 N +ATOM 365 N GLN D 87 36.731 58.147 87.625 1.00149.19 N +ATOM 366 CA GLN D 87 36.188 56.984 88.318 1.00156.43 C +ATOM 367 C GLN D 87 34.676 57.087 88.464 1.00145.48 C +ATOM 368 O GLN D 87 34.045 56.271 89.141 1.00139.57 O +ATOM 369 CB GLN D 87 36.833 56.818 89.699 1.00153.94 C +ATOM 370 CG GLN D 87 36.355 55.582 90.470 1.00159.65 C +ATOM 371 CD GLN D 87 36.601 54.280 89.717 1.00169.56 C +ATOM 372 OE1 GLN D 87 35.662 53.581 89.335 1.00169.73 O +ATOM 373 NE2 GLN D 87 37.870 53.951 89.501 1.00172.92 N +ATOM 374 N ALA D 88 34.097 58.099 87.830 1.00135.29 N +ATOM 375 CA ALA D 88 32.657 58.279 87.873 1.00120.35 C +ATOM 376 C ALA D 88 31.965 57.245 86.979 1.00122.73 C +ATOM 377 O ALA D 88 31.279 57.593 86.015 1.00112.87 O +ATOM 378 CB ALA D 88 32.305 59.685 87.455 1.00 57.71 C +ATOM 379 N ALA D 89 32.141 55.968 87.315 1.00 43.02 N +ATOM 380 CA ALA D 89 31.696 54.888 86.454 1.00 43.28 C +ATOM 381 C ALA D 89 30.186 54.666 86.447 1.00 37.47 C +ATOM 382 O ALA D 89 29.613 54.342 85.412 1.00 37.44 O +ATOM 383 CB ALA D 89 32.425 53.618 86.771 1.00 42.36 C +ATOM 384 N THR D 90 29.514 54.833 87.564 1.00 67.30 N +ATOM 385 CA THR D 90 28.087 54.678 87.468 1.00 47.15 C +ATOM 386 C THR D 90 27.581 55.626 86.401 1.00 44.63 C +ATOM 387 O THR D 90 26.660 55.307 85.665 1.00 42.77 O +ATOM 388 CB THR D 90 27.389 54.971 88.783 1.00 31.51 C +ATOM 389 OG1 THR D 90 27.814 54.018 89.746 1.00 28.34 O +ATOM 390 CG2 THR D 90 25.888 54.826 88.617 1.00 21.29 C +ATOM 391 N CYS D 91 28.185 56.802 86.307 1.00 61.68 N +ATOM 392 CA CYS D 91 27.689 57.772 85.357 1.00 49.20 C +ATOM 393 C CYS D 91 28.020 57.354 83.930 1.00 54.24 C +ATOM 394 O CYS D 91 27.219 57.484 83.028 1.00 47.22 O +ATOM 395 CB CYS D 91 28.227 59.159 85.649 1.00 69.35 C +ATOM 396 SG CYS D 91 27.407 60.388 84.606 1.00 54.19 S +ATOM 397 N ASN D 92 29.210 56.838 83.711 1.00 60.28 N +ATOM 398 CA ASN D 92 29.517 56.374 82.380 1.00 56.88 C +ATOM 399 C ASN D 92 28.618 55.217 81.998 1.00 55.91 C +ATOM 400 O ASN D 92 28.129 55.184 80.876 1.00 48.02 O +ATOM 401 CB ASN D 92 30.977 55.987 82.257 1.00 57.53 C +ATOM 402 CG ASN D 92 31.902 57.177 82.309 1.00 57.03 C +ATOM 403 OD1 ASN D 92 33.094 57.040 82.072 1.00 59.14 O +ATOM 404 ND2 ASN D 92 31.368 58.346 82.612 1.00 62.91 N +ATOM 405 N HIS D 93 28.370 54.281 82.917 1.00 42.27 N +ATOM 406 CA HIS D 93 27.499 53.167 82.588 1.00 42.90 C +ATOM 407 C HIS D 93 26.105 53.673 82.260 1.00 32.77 C +ATOM 408 O HIS D 93 25.421 53.151 81.361 1.00 28.80 O +ATOM 409 CB HIS D 93 27.414 52.142 83.716 1.00 58.41 C +ATOM 410 CG HIS D 93 28.604 51.242 83.809 1.00 74.10 C +ATOM 411 ND1 HIS D 93 29.432 51.225 84.908 1.00 89.48 N +ATOM 412 CD2 HIS D 93 29.101 50.332 82.943 1.00 82.77 C +ATOM 413 CE1 HIS D 93 30.395 50.336 84.717 1.00 94.25 C +ATOM 414 NE2 HIS D 93 30.215 49.786 83.535 1.00 91.54 N +ATOM 415 N THR D 94 25.647 54.675 82.996 1.00 60.26 N +ATOM 416 CA THR D 94 24.303 55.133 82.765 1.00 47.49 C +ATOM 417 C THR D 94 24.203 55.768 81.383 1.00 37.85 C +ATOM 418 O THR D 94 23.243 55.522 80.660 1.00 34.21 O +ATOM 419 CB THR D 94 23.864 56.099 83.842 1.00 35.61 C +ATOM 420 OG1 THR D 94 23.966 55.457 85.122 1.00 38.76 O +ATOM 421 CG2 THR D 94 22.433 56.491 83.640 1.00 19.61 C +ATOM 422 N VAL D 95 25.202 56.570 81.007 1.00 48.66 N +ATOM 423 CA VAL D 95 25.275 57.136 79.671 1.00 40.59 C +ATOM 424 C VAL D 95 25.224 56.060 78.603 1.00 43.89 C +ATOM 425 O VAL D 95 24.421 56.143 77.677 1.00 38.65 O +ATOM 426 CB VAL D 95 26.534 57.956 79.468 1.00 39.40 C +ATOM 427 CG1 VAL D 95 26.863 58.127 77.958 1.00 35.02 C +ATOM 428 CG2 VAL D 95 26.367 59.326 80.161 1.00 32.07 C +ATOM 437 N ALA D 97 24.025 53.186 78.845 1.00 42.76 N +ATOM 438 CA ALA D 97 22.758 52.477 78.929 1.00 43.46 C +ATOM 439 C ALA D 97 21.654 53.316 78.312 1.00 34.77 C +ATOM 440 O ALA D 97 20.817 52.788 77.586 1.00 35.62 O +ATOM 441 CB ALA D 97 22.447 52.132 80.351 1.00 35.93 C +ATOM 442 N LEU D 98 21.670 54.625 78.564 1.00 56.05 N +ATOM 443 CA LEU D 98 20.727 55.516 77.919 1.00 44.81 C +ATOM 444 C LEU D 98 20.874 55.534 76.397 1.00 41.22 C +ATOM 445 O LEU D 98 19.894 55.706 75.692 1.00 36.23 O +ATOM 446 CB LEU D 98 20.893 56.935 78.427 1.00 42.76 C +ATOM 447 CG LEU D 98 20.091 57.432 79.633 1.00 34.56 C +ATOM 448 CD1 LEU D 98 18.848 56.608 79.865 1.00 29.38 C +ATOM 449 CD2 LEU D 98 20.950 57.396 80.844 1.00 37.68 C +ATOM 458 N ALA D 100 21.829 53.008 74.448 1.00 39.39 N +ATOM 459 CA ALA D 100 21.194 51.802 73.944 1.00 42.39 C +ATOM 460 C ALA D 100 19.661 51.897 74.094 1.00 44.08 C +ATOM 461 O ALA D 100 18.917 51.491 73.189 1.00 41.27 O +ATOM 462 CB ALA D 100 21.728 50.598 74.644 1.00 50.08 C +ATOM 463 N SER D 101 19.202 52.442 75.228 1.00 54.61 N +ATOM 464 CA SER D 101 17.777 52.592 75.487 1.00 56.22 C +ATOM 465 C SER D 101 17.175 53.378 74.377 1.00 49.32 C +ATOM 466 O SER D 101 16.128 53.016 73.868 1.00 51.49 O +ATOM 467 CB SER D 101 17.517 53.356 76.777 1.00 53.32 C +ATOM 468 OG SER D 101 17.469 52.497 77.895 1.00 67.08 O +ATOM 469 N LEU D 102 17.838 54.470 74.020 1.00 73.29 N +ATOM 470 CA LEU D 102 17.375 55.378 72.987 1.00 65.52 C +ATOM 471 C LEU D 102 17.392 54.738 71.595 1.00 67.15 C +ATOM 472 O LEU D 102 16.571 55.054 70.755 1.00 62.59 O +ATOM 473 CB LEU D 102 18.240 56.629 73.013 1.00 55.56 C +ATOM 474 CG LEU D 102 17.777 57.759 72.114 1.00 43.03 C +ATOM 475 CD1 LEU D 102 16.327 57.971 72.354 1.00 36.20 C +ATOM 476 CD2 LEU D 102 18.532 59.044 72.421 1.00 34.79 C +ATOM 477 N ASP D 103 18.338 53.843 71.350 1.00 57.70 N +ATOM 478 CA ASP D 103 18.387 53.120 70.092 1.00 58.85 C +ATOM 479 C ASP D 103 17.266 52.084 70.009 1.00 62.13 C +ATOM 480 O ASP D 103 16.606 51.931 68.975 1.00 59.90 O +ATOM 481 CB ASP D 103 19.726 52.403 69.969 1.00 62.74 C +ATOM 482 CG ASP D 103 20.782 53.230 69.243 1.00 58.54 C +ATOM 483 OD1 ASP D 103 20.410 54.011 68.341 1.00 55.81 O +ATOM 484 OD2 ASP D 103 21.988 53.076 69.552 1.00 62.92 O +ATOM 485 N ALA D 104 17.089 51.351 71.106 1.00 46.42 N +ATOM 486 CA ALA D 104 16.055 50.337 71.231 1.00 49.16 C +ATOM 487 C ALA D 104 14.704 50.971 71.066 1.00 46.98 C +ATOM 488 O ALA D 104 13.889 50.507 70.281 1.00 47.36 O +ATOM 489 CB ALA D 104 16.142 49.680 72.569 1.00 51.80 C +ATOM 490 N GLU D 105 14.482 52.046 71.809 1.00 52.82 N +ATOM 491 CA GLU D 105 13.270 52.839 71.682 1.00 50.92 C +ATOM 492 C GLU D 105 12.981 53.174 70.236 1.00 47.47 C +ATOM 493 O GLU D 105 11.928 52.848 69.724 1.00 49.79 O +ATOM 494 CB GLU D 105 13.376 54.134 72.490 1.00 71.31 C +ATOM 495 CG GLU D 105 12.049 54.831 72.663 1.00 67.06 C +ATOM 496 CD GLU D 105 10.951 53.877 73.152 1.00 77.63 C +ATOM 497 OE1 GLU D 105 11.182 53.146 74.154 1.00 87.44 O +ATOM 498 OE2 GLU D 105 9.862 53.861 72.522 1.00 77.81 O +ATOM 499 N LYS D 106 13.926 53.818 69.574 1.00 70.59 N +ATOM 500 CA LYS D 106 13.768 54.215 68.184 1.00 68.56 C +ATOM 501 C LYS D 106 13.348 53.069 67.269 1.00 73.89 C +ATOM 502 O LYS D 106 12.457 53.237 66.445 1.00 72.67 O +ATOM 503 CB LYS D 106 15.070 54.816 67.688 1.00 75.39 C +ATOM 504 CG LYS D 106 14.878 55.986 66.786 1.00 71.47 C +ATOM 505 CD LYS D 106 15.988 56.986 67.006 1.00 65.26 C +ATOM 506 CE LYS D 106 15.849 57.705 68.320 1.00 63.08 C +ATOM 507 NZ LYS D 106 16.571 59.010 68.138 1.00 64.62 N +ATOM 508 N ALA D 107 13.992 51.915 67.418 1.00 62.81 N +ATOM 509 CA ALA D 107 13.712 50.745 66.589 1.00 67.92 C +ATOM 510 C ALA D 107 12.358 50.137 66.862 1.00 71.54 C +ATOM 511 O ALA D 107 11.595 49.906 65.934 1.00 73.35 O +ATOM 512 CB ALA D 107 14.778 49.683 66.771 1.00 37.22 C +ATOM 513 N GLN D 108 12.058 49.846 68.124 1.00 73.24 N +ATOM 514 CA GLN D 108 10.779 49.220 68.417 1.00 77.89 C +ATOM 515 C GLN D 108 9.671 50.201 68.060 1.00 75.49 C +ATOM 516 O GLN D 108 8.536 49.812 67.804 1.00 76.88 O +ATOM 517 CB GLN D 108 10.705 48.701 69.854 1.00 77.77 C +ATOM 518 CG GLN D 108 10.450 49.727 70.936 1.00 80.42 C +ATOM 519 CD GLN D 108 11.070 49.316 72.283 1.00 93.00 C +ATOM 520 OE1 GLN D 108 11.888 48.384 72.359 1.00 98.35 O +ATOM 521 NE2 GLN D 108 10.698 50.030 73.344 1.00 94.15 N +ATOM 522 N GLY D 109 10.042 51.472 67.977 1.00 74.95 N +ATOM 523 CA GLY D 109 9.146 52.516 67.525 1.00 73.77 C +ATOM 524 C GLY D 109 8.837 52.510 66.034 1.00 75.77 C +ATOM 525 O GLY D 109 7.688 52.718 65.656 1.00 75.19 O +ATOM 526 N GLN D 110 9.841 52.304 65.179 1.00 74.44 N +ATOM 527 CA GLN D 110 9.597 52.301 63.740 1.00 77.75 C +ATOM 528 C GLN D 110 8.934 50.991 63.380 1.00 80.61 C +ATOM 529 O GLN D 110 8.199 50.902 62.406 1.00 82.71 O +ATOM 530 CB GLN D 110 10.877 52.512 62.926 1.00132.89 C +ATOM 531 CG GLN D 110 11.782 51.298 62.794 1.00140.74 C +ATOM 532 CD GLN D 110 13.036 51.603 61.986 1.00142.15 C +ATOM 533 OE1 GLN D 110 12.964 52.220 60.925 1.00139.57 O +ATOM 534 NE2 GLN D 110 14.195 51.175 62.491 1.00140.77 N +ATOM 535 N LYS D 111 9.168 49.976 64.197 1.00 62.80 N +ATOM 536 CA LYS D 111 8.590 48.672 63.949 1.00 67.07 C +ATOM 537 C LYS D 111 7.097 48.730 64.155 1.00 67.91 C +ATOM 538 O LYS D 111 6.329 48.154 63.386 1.00 71.99 O +ATOM 539 CB LYS D 111 9.164 47.645 64.904 1.00 70.71 C +ATOM 540 CG LYS D 111 8.458 46.322 64.834 1.00 76.01 C +ATOM 541 CD LYS D 111 9.343 45.274 64.222 1.00 84.49 C +ATOM 542 CE LYS D 111 8.786 43.901 64.504 1.00 92.45 C +ATOM 543 NZ LYS D 111 9.730 42.834 64.091 1.00 98.34 N +ATOM 544 N LYS D 112 6.687 49.413 65.215 1.00 73.74 N +ATOM 545 CA LYS D 112 5.280 49.528 65.520 1.00 73.98 C +ATOM 546 C LYS D 112 4.605 50.302 64.413 1.00 73.34 C +ATOM 547 O LYS D 112 3.511 49.939 63.983 1.00 75.24 O +ATOM 548 CB LYS D 112 5.063 50.219 66.860 1.00 78.25 C +ATOM 549 CG LYS D 112 3.628 50.194 67.342 1.00 80.08 C +ATOM 550 CD LYS D 112 3.034 48.802 67.197 1.00 87.35 C +ATOM 551 CE LYS D 112 1.679 48.694 67.871 1.00 90.01 C +ATOM 552 NZ LYS D 112 1.015 47.410 67.523 1.00 98.05 N +ATOM 553 N VAL D 113 5.254 51.357 63.928 1.00 77.21 N +ATOM 554 CA VAL D 113 4.654 52.157 62.863 1.00 78.19 C +ATOM 555 C VAL D 113 4.536 51.426 61.529 1.00 84.35 C +ATOM 556 O VAL D 113 3.483 51.462 60.905 1.00 86.44 O +ATOM 557 CB VAL D 113 5.359 53.498 62.667 1.00 54.57 C +ATOM 558 CG1 VAL D 113 5.112 54.032 61.276 1.00 54.25 C +ATOM 559 CG2 VAL D 113 4.867 54.478 63.707 1.00 49.85 C +ATOM 560 N GLU D 114 5.598 50.763 61.086 1.00 91.54 N +ATOM 561 CA GLU D 114 5.515 50.013 59.838 1.00 97.66 C +ATOM 562 C GLU D 114 4.406 48.977 59.947 1.00100.30 C +ATOM 563 O GLU D 114 3.743 48.662 58.966 1.00103.87 O +ATOM 564 CB GLU D 114 6.838 49.331 59.502 1.00106.92 C +ATOM 565 CG GLU D 114 7.969 50.289 59.185 1.00107.39 C +ATOM 566 CD GLU D 114 9.238 49.557 58.802 1.00111.37 C +ATOM 567 OE1 GLU D 114 10.308 49.868 59.380 1.00112.38 O +ATOM 568 OE2 GLU D 114 9.153 48.659 57.930 1.00112.39 O +ATOM 569 N GLU D 115 4.206 48.460 61.152 1.00 88.07 N +ATOM 570 CA GLU D 115 3.178 47.466 61.397 1.00 91.79 C +ATOM 571 C GLU D 115 1.797 48.067 61.164 1.00 91.38 C +ATOM 572 O GLU D 115 0.963 47.492 60.455 1.00 94.35 O +ATOM 573 CB GLU D 115 3.285 46.955 62.831 1.00131.23 C +ATOM 574 CG GLU D 115 2.236 45.929 63.209 1.00137.25 C +ATOM 575 CD GLU D 115 2.741 44.506 63.084 1.00146.90 C +ATOM 576 OE1 GLU D 115 3.942 44.327 62.787 1.00147.45 O +ATOM 577 OE2 GLU D 115 1.939 43.567 63.289 1.00152.69 O +ATOM 578 N LEU D 116 1.560 49.230 61.760 1.00102.58 N +ATOM 579 CA LEU D 116 0.265 49.888 61.666 1.00101.90 C +ATOM 580 C LEU D 116 -0.064 50.286 60.237 1.00105.79 C +ATOM 581 O LEU D 116 -1.200 50.148 59.790 1.00108.06 O +ATOM 582 CB LEU D 116 0.197 51.093 62.607 1.00 72.13 C +ATOM 583 CG LEU D 116 0.085 50.681 64.082 1.00 70.40 C +ATOM 584 CD1 LEU D 116 -0.147 51.873 64.980 1.00 65.39 C +ATOM 585 CD2 LEU D 116 -1.011 49.648 64.287 1.00 72.45 C +ATOM 586 N GLU D 117 0.933 50.769 59.513 1.00103.77 N +ATOM 587 CA GLU D 117 0.752 51.072 58.103 1.00110.00 C +ATOM 588 C GLU D 117 0.671 49.773 57.313 1.00115.64 C +ATOM 589 O GLU D 117 0.623 49.789 56.086 1.00121.08 O +ATOM 590 CB GLU D 117 1.895 51.949 57.593 1.00112.78 C +ATOM 591 CG GLU D 117 2.016 53.273 58.333 1.00108.73 C +ATOM 592 CD GLU D 117 3.272 54.053 57.971 1.00108.74 C +ATOM 593 OE1 GLU D 117 4.207 53.452 57.385 1.00112.63 O +ATOM 594 OE2 GLU D 117 3.319 55.269 58.284 1.00 96.50 O +ATOM 595 N GLY D 118 0.644 48.650 58.028 1.00 82.95 N +ATOM 596 CA GLY D 118 0.452 47.344 57.421 1.00 89.59 C +ATOM 597 C GLY D 118 -1.029 46.998 57.429 1.00 91.15 C +ATOM 598 O GLY D 118 -1.584 46.509 56.439 1.00 96.22 O +ATOM 599 N GLU D 119 -1.672 47.273 58.558 1.00127.19 N +ATOM 600 CA GLU D 119 -3.110 47.105 58.693 1.00127.98 C +ATOM 601 C GLU D 119 -3.867 48.103 57.816 1.00129.08 C +ATOM 602 O GLU D 119 -4.688 47.702 56.994 1.00133.55 O +ATOM 603 CB GLU D 119 -3.526 47.257 60.154 1.00137.97 C +ATOM 604 CG GLU D 119 -2.861 46.265 61.091 1.00141.36 C +ATOM 605 CD GLU D 119 -3.149 46.560 62.552 1.00140.54 C +ATOM 606 OE1 GLU D 119 -3.917 47.509 62.831 1.00137.47 O +ATOM 607 OE2 GLU D 119 -2.605 45.845 63.422 1.00143.33 O +ATOM 608 N ILE D 120 -3.598 49.398 57.993 1.00 93.25 N +ATOM 609 CA ILE D 120 -4.179 50.432 57.122 1.00 96.25 C +ATOM 610 C ILE D 120 -4.185 50.034 55.632 1.00105.21 C +ATOM 611 O ILE D 120 -5.220 49.649 55.092 1.00108.68 O +ATOM 612 CB ILE D 120 -3.477 51.804 57.296 1.00 86.12 C +ATOM 613 CG1 ILE D 120 -3.983 52.508 58.558 1.00 79.99 C +ATOM 614 CG2 ILE D 120 -3.714 52.693 56.078 1.00 91.97 C +ATOM 615 CD1 ILE D 120 -3.588 53.975 58.646 1.00 78.82 C +ATOM 616 N THR D 121 -3.032 50.130 54.973 1.00 77.57 N +ATOM 617 CA THR D 121 -2.897 49.698 53.582 1.00 87.47 C +ATOM 618 C THR D 121 -3.655 48.400 53.308 1.00 92.06 C +ATOM 619 O THR D 121 -4.183 48.211 52.219 1.00 99.73 O +ATOM 620 CB THR D 121 -1.410 49.545 53.168 1.00 88.46 C +ATOM 621 OG1 THR D 121 -0.896 50.817 52.748 1.00 90.62 O +ATOM 622 CG2 THR D 121 -1.270 48.550 52.028 1.00 95.51 C +ATOM 623 N THR D 122 -3.713 47.514 54.298 1.00106.85 N +ATOM 624 CA THR D 122 -4.459 46.266 54.161 1.00111.45 C +ATOM 625 C THR D 122 -5.961 46.496 54.183 1.00112.10 C +ATOM 626 O THR D 122 -6.713 45.808 53.501 1.00119.14 O +ATOM 627 CB THR D 122 -4.121 45.269 55.277 1.00109.15 C +ATOM 628 OG1 THR D 122 -3.158 44.329 54.794 1.00113.72 O +ATOM 629 CG2 THR D 122 -5.369 44.511 55.714 1.00112.21 C +ATOM 630 N LEU D 123 -6.408 47.455 54.978 1.00135.13 N +ATOM 631 CA LEU D 123 -7.832 47.717 55.058 1.00135.38 C +ATOM 632 C LEU D 123 -8.323 48.613 53.918 1.00142.11 C +ATOM 633 O LEU D 123 -9.458 48.471 53.476 1.00146.27 O +ATOM 634 CB LEU D 123 -8.219 48.274 56.433 1.00103.37 C +ATOM 635 CG LEU D 123 -7.966 49.752 56.746 1.00100.78 C +ATOM 636 CD1 LEU D 123 -8.814 50.665 55.857 1.00101.61 C +ATOM 637 CD2 LEU D 123 -8.230 50.028 58.222 1.00 97.31 C +ATOM 638 N ASN D 124 -7.484 49.533 53.443 1.00 95.15 N +ATOM 639 CA ASN D 124 -7.882 50.396 52.329 1.00104.25 C +ATOM 640 C ASN D 124 -8.195 49.593 51.077 1.00114.66 C +ATOM 641 O ASN D 124 -9.217 49.810 50.425 1.00120.46 O +ATOM 642 CB ASN D 124 -6.814 51.439 52.018 1.00120.26 C +ATOM 643 CG ASN D 124 -6.848 52.603 52.978 1.00113.75 C +ATOM 644 OD1 ASN D 124 -7.206 52.447 54.145 1.00106.31 O +ATOM 645 ND2 ASN D 124 -6.481 53.781 52.494 1.00114.99 N +ATOM 646 N HIS D 125 -7.310 48.657 50.750 1.00136.80 N +ATOM 647 CA HIS D 125 -7.570 47.733 49.658 1.00146.40 C +ATOM 648 C HIS D 125 -8.764 46.860 50.013 1.00144.25 C +ATOM 649 O HIS D 125 -9.581 46.563 49.162 1.00149.98 O +ATOM 650 CB HIS D 125 -6.346 46.870 49.347 1.00152.81 C +ATOM 651 CG HIS D 125 -5.141 47.655 48.931 1.00157.10 C +ATOM 652 ND1 HIS D 125 -3.854 47.195 49.105 1.00154.98 N +ATOM 653 CD2 HIS D 125 -5.028 48.880 48.359 1.00164.37 C +ATOM 654 CE1 HIS D 125 -2.999 48.095 48.653 1.00159.47 C +ATOM 655 NE2 HIS D 125 -3.687 49.128 48.196 1.00165.65 N +ATOM 656 N LYS D 126 -8.871 46.472 51.279 1.00114.23 N +ATOM 657 CA LYS D 126 -9.968 45.632 51.750 1.00112.52 C +ATOM 658 C LYS D 126 -11.295 46.388 51.760 1.00111.74 C +ATOM 659 O LYS D 126 -12.363 45.796 51.567 1.00113.71 O +ATOM 660 CB LYS D 126 -9.665 45.116 53.158 1.00129.61 C +ATOM 661 CG LYS D 126 -10.574 43.998 53.629 1.00131.95 C +ATOM 662 CD LYS D 126 -10.012 42.635 53.254 1.00133.99 C +ATOM 663 CE LYS D 126 -8.809 42.259 54.114 1.00134.51 C +ATOM 664 NZ LYS D 126 -9.189 41.915 55.513 1.00131.40 N +ATOM 665 N LEU D 127 -11.228 47.694 52.003 1.00149.56 N +ATOM 666 CA LEU D 127 -12.419 48.537 51.974 1.00150.99 C +ATOM 667 C LEU D 127 -12.823 48.824 50.543 1.00162.81 C +ATOM 668 O LEU D 127 -13.951 48.564 50.146 1.00166.37 O +ATOM 669 CB LEU D 127 -12.178 49.858 52.704 1.00115.41 C +ATOM 670 CG LEU D 127 -12.825 51.091 52.069 1.00118.26 C +ATOM 671 CD1 LEU D 127 -13.532 51.939 53.112 1.00109.96 C +ATOM 672 CD2 LEU D 127 -11.792 51.909 51.289 1.00125.66 C +ATOM 673 N GLN D 128 -11.893 49.364 49.763 1.00131.76 N +ATOM 674 CA GLN D 128 -12.157 49.635 48.354 1.00145.28 C +ATOM 675 C GLN D 128 -12.446 48.331 47.607 1.00152.17 C +ATOM 676 O GLN D 128 -13.297 48.292 46.727 1.00161.65 O +ATOM 677 CB GLN D 128 -11.002 50.423 47.725 1.00174.81 C +ATOM 678 CG GLN D 128 -10.217 49.701 46.644 1.00183.57 C +ATOM 679 CD GLN D 128 -9.042 50.525 46.143 1.00189.39 C +ATOM 680 OE1 GLN D 128 -8.939 51.717 46.434 1.00189.11 O +ATOM 681 NE2 GLN D 128 -8.151 49.893 45.391 1.00194.25 N +ATOM 682 N ASP D 129 -11.744 47.262 47.973 1.00184.62 N +ATOM 683 CA ASP D 129 -12.076 45.931 47.476 1.00190.46 C +ATOM 684 C ASP D 129 -13.350 45.470 48.169 1.00188.72 C +ATOM 685 O ASP D 129 -13.620 45.855 49.304 1.00191.21 O +ATOM 686 CB ASP D 129 -10.916 44.947 47.713 1.00184.70 C +ATOM 687 CG ASP D 129 -11.382 43.535 48.041 1.00185.94 C +ATOM 688 OD1 ASP D 129 -10.930 42.592 47.357 1.00192.39 O +ATOM 689 OD2 ASP D 129 -12.172 43.359 48.994 1.00179.11 O +ATOM 690 N ALA D 130 -14.132 44.652 47.476 1.00195.26 N +ATOM 691 CA ALA D 130 -15.399 44.159 48.006 1.00193.19 C +ATOM 692 C ALA D 130 -16.386 45.291 48.264 1.00191.33 C +ATOM 693 O ALA D 130 -17.372 45.421 47.549 1.00328.41 O +ATOM 694 CB ALA D 130 -15.182 43.328 49.266 1.00144.20 C +ATOM 695 N SER D 131 -16.137 46.111 49.278 1.00128.20 N +ATOM 696 CA SER D 131 -17.070 47.199 49.565 1.00128.13 C +ATOM 697 C SER D 131 -17.387 48.018 48.328 1.00140.20 C +ATOM 698 O SER D 131 -18.545 48.141 47.945 1.00144.00 O +ATOM 699 CB SER D 131 -16.549 48.145 50.637 1.00 99.12 C +ATOM 700 OG SER D 131 -16.761 49.486 50.223 1.00105.69 O +ATOM 701 N ALA D 132 -16.368 48.593 47.704 1.00174.43 N +ATOM 702 CA ALA D 132 -16.617 49.363 46.497 1.00187.27 C +ATOM 703 C ALA D 132 -17.223 48.467 45.420 1.00197.57 C +ATOM 704 O ALA D 132 -18.083 48.902 44.654 1.00206.77 O +ATOM 705 CB ALA D 132 -15.346 50.008 46.003 1.00166.66 C +ATOM 706 N GLU D 133 -16.788 47.210 45.382 1.00223.85 N +ATOM 707 CA GLU D 133 -17.207 46.299 44.319 1.00234.57 C +ATOM 708 C GLU D 133 -18.515 45.535 44.538 1.00232.72 C +ATOM 709 O GLU D 133 -19.334 45.461 43.627 1.00240.20 O +ATOM 710 CB GLU D 133 -16.080 45.346 43.919 1.00219.50 C +ATOM 711 CG GLU D 133 -15.475 45.695 42.568 1.00231.76 C +ATOM 712 CD GLU D 133 -16.533 45.868 41.482 1.00245.15 C +ATOM 713 OE1 GLU D 133 -17.641 45.305 41.619 1.00248.39 O +ATOM 714 OE2 GLU D 133 -16.254 46.564 40.483 1.00252.14 O +ATOM 715 N VAL D 134 -18.721 44.953 45.713 1.00176.99 N +ATOM 716 CA VAL D 134 -20.029 44.379 45.989 1.00175.73 C +ATOM 717 C VAL D 134 -21.041 45.511 45.941 1.00173.27 C +ATOM 718 O VAL D 134 -22.199 45.302 45.590 1.00173.34 O +ATOM 719 CB VAL D 134 -20.109 43.665 47.345 1.00165.40 C +ATOM 720 CG1 VAL D 134 -21.552 43.569 47.790 1.00160.75 C +ATOM 721 CG2 VAL D 134 -19.504 42.281 47.245 1.00164.04 C +ATOM 722 N GLU D 135 -20.587 46.718 46.274 1.00263.46 N +ATOM 723 CA GLU D 135 -21.428 47.911 46.187 1.00263.76 C +ATOM 724 C GLU D 135 -21.663 48.329 44.733 1.00279.20 C +ATOM 725 O GLU D 135 -22.751 48.786 44.381 1.00282.84 O +ATOM 726 CB GLU D 135 -20.824 49.062 46.997 1.00169.93 C +ATOM 727 CG GLU D 135 -21.615 50.360 46.967 1.00167.35 C +ATOM 728 CD GLU D 135 -21.241 51.235 45.789 1.00174.25 C +ATOM 729 OE1 GLU D 135 -20.307 50.858 45.048 1.00179.57 O +ATOM 730 OE2 GLU D 135 -21.873 52.297 45.607 1.00175.60 O +ATOM 731 N ARG D 136 -20.643 48.173 43.893 1.00208.80 N +ATOM 732 CA ARG D 136 -20.802 48.397 42.455 1.00215.54 C +ATOM 733 C ARG D 136 -21.743 47.343 41.873 1.00217.93 C +ATOM 734 O ARG D 136 -22.633 47.649 41.079 1.00545.34 O +ATOM 735 CB ARG D 136 -19.442 48.367 41.747 1.00219.94 C +ATOM 736 CG ARG D 136 -19.496 48.630 40.246 1.00222.56 C +ATOM 737 CD ARG D 136 -20.470 49.752 39.888 1.00222.68 C +ATOM 738 NE ARG D 136 -20.341 50.922 40.755 1.00224.83 N +ATOM 739 CZ ARG D 136 -21.318 51.392 41.525 1.00223.58 C +ATOM 740 NH1 ARG D 136 -22.503 50.797 41.536 1.00220.20 N +ATOM 741 NH2 ARG D 136 -21.112 52.460 42.282 1.00225.98 N +ATOM 742 N LEU D 137 -21.524 46.100 42.286 1.00177.12 N +ATOM 743 CA LEU D 137 -22.422 44.991 42.002 1.00178.49 C +ATOM 744 C LEU D 137 -23.837 45.296 42.493 1.00176.53 C +ATOM 745 O LEU D 137 -24.818 45.078 41.785 1.00396.08 O +ATOM 746 CB LEU D 137 -21.875 43.719 42.672 1.00175.22 C +ATOM 747 CG LEU D 137 -22.782 42.535 43.034 1.00174.95 C +ATOM 748 CD1 LEU D 137 -21.947 41.284 43.282 1.00175.32 C +ATOM 749 CD2 LEU D 137 -23.666 42.837 44.246 1.00169.47 C +ATOM 750 N ARG D 138 -23.928 45.820 43.708 1.00227.39 N +ATOM 751 CA ARG D 138 -25.204 45.991 44.389 1.00224.93 C +ATOM 752 C ARG D 138 -26.189 46.897 43.653 1.00228.99 C +ATOM 753 O ARG D 138 -27.367 46.564 43.531 1.00502.71 O +ATOM 754 CB ARG D 138 -24.973 46.491 45.790 1.00114.67 C +ATOM 755 N ARG D 139 -25.718 48.045 43.175 1.00212.81 N +ATOM 756 CA ARG D 139 -26.583 48.938 42.413 1.00217.02 C +ATOM 757 C ARG D 139 -26.948 48.275 41.086 1.00223.02 C +ATOM 758 O ARG D 139 -28.046 48.462 40.559 1.00516.34 O +ATOM 759 CB ARG D 139 -25.904 50.283 42.187 1.00108.61 C +ATOM 760 N GLU D 140 -26.017 47.478 40.570 1.00257.20 N +ATOM 761 CA GLU D 140 -26.208 46.751 39.321 1.00263.11 C +ATOM 762 C GLU D 140 -27.332 45.718 39.422 1.00263.31 C +ATOM 763 O GLU D 140 -28.315 45.788 38.685 1.00356.98 O +ATOM 764 CB GLU D 140 -24.895 46.082 38.892 1.00136.90 C +ATOM 765 N ASN D 141 -27.183 44.765 40.339 1.00236.33 N +ATOM 766 CA ASN D 141 -28.137 43.668 40.472 1.00236.10 C +ATOM 767 C ASN D 141 -28.854 43.683 41.813 1.00229.79 C +ATOM 768 O ASN D 141 -28.675 42.777 42.625 1.00327.88 O +ATOM 769 CB ASN D 141 -27.439 42.340 40.280 1.00115.92 C +ATOM 770 N GLN D 142 -29.666 44.711 42.031 1.00189.92 N +ATOM 771 CA GLN D 142 -30.446 44.858 43.259 1.00184.56 C +ATOM 772 C GLN D 142 -30.758 43.525 43.934 1.00181.24 C +ATOM 773 O GLN D 142 -31.140 43.486 45.104 1.00242.73 O +ATOM 774 CB GLN D 142 -31.731 45.610 42.967 1.00115.87 C Added: SwiftApps/modFTdock/input/2x7a-4.pdb =================================================================== --- SwiftApps/modFTdock/input/2x7a-4.pdb (rev 0) +++ SwiftApps/modFTdock/input/2x7a-4.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,789 @@ +ATOM 1 N ALA G 88 31.070 70.408 58.905 1.00133.39 N +ATOM 2 CA ALA G 88 32.251 69.609 58.587 1.00130.64 C +ATOM 3 C ALA G 88 31.902 68.134 58.517 1.00129.51 C +ATOM 4 O ALA G 88 32.519 67.305 59.183 1.00125.91 O +ATOM 5 CB ALA G 88 33.366 69.842 59.611 1.00 47.13 C +ATOM 6 N ALA G 89 30.909 67.815 57.702 1.00 50.94 N +ATOM 7 CA ALA G 89 30.435 66.445 57.566 1.00 53.34 C +ATOM 8 C ALA G 89 31.487 65.419 57.070 1.00 44.86 C +ATOM 9 O ALA G 89 31.466 64.273 57.496 1.00 42.94 O +ATOM 10 CB ALA G 89 29.180 66.403 56.713 1.00 55.37 C +ATOM 11 N THR G 90 32.409 65.784 56.189 1.00 53.08 N +ATOM 12 CA THR G 90 33.385 64.771 55.798 1.00 44.88 C +ATOM 13 C THR G 90 34.116 64.224 57.030 1.00 38.75 C +ATOM 14 O THR G 90 34.210 63.011 57.225 1.00 35.42 O +ATOM 15 CB THR G 90 34.370 65.258 54.694 1.00 44.13 C +ATOM 16 OG1 THR G 90 33.605 65.629 53.553 1.00 49.39 O +ATOM 17 CG2 THR G 90 35.305 64.137 54.254 1.00 37.65 C +ATOM 18 N CYS G 91 34.611 65.113 57.874 1.00 49.88 N +ATOM 19 CA CYS G 91 35.312 64.662 59.046 1.00 43.16 C +ATOM 20 C CYS G 91 34.423 63.757 59.925 1.00 38.32 C +ATOM 21 O CYS G 91 34.849 62.668 60.303 1.00 34.55 O +ATOM 22 CB CYS G 91 35.896 65.831 59.812 1.00 68.15 C +ATOM 23 SG CYS G 91 36.857 65.275 61.210 1.00 65.99 S +ATOM 24 N ASN G 92 33.185 64.166 60.223 1.00 33.28 N +ATOM 25 CA ASN G 92 32.236 63.327 60.972 1.00 36.00 C +ATOM 26 C ASN G 92 32.044 61.957 60.385 1.00 38.06 C +ATOM 27 O ASN G 92 32.033 60.963 61.126 1.00 36.13 O +ATOM 28 CB ASN G 92 30.876 64.005 61.116 1.00 55.99 C +ATOM 29 CG ASN G 92 30.908 65.155 62.087 1.00 55.46 C +ATOM 30 OD1 ASN G 92 31.459 65.054 63.190 1.00 58.02 O +ATOM 31 ND2 ASN G 92 30.329 66.268 61.684 1.00 58.20 N +ATOM 32 N HIS G 93 31.879 61.889 59.060 1.00 33.52 N +ATOM 33 CA HIS G 93 31.702 60.596 58.408 1.00 40.00 C +ATOM 34 C HIS G 93 33.002 59.801 58.585 1.00 27.69 C +ATOM 35 O HIS G 93 32.991 58.583 58.833 1.00 28.76 O +ATOM 36 CB HIS G 93 31.294 60.737 56.937 1.00 82.86 C +ATOM 37 CG HIS G 93 29.825 60.985 56.731 1.00110.41 C +ATOM 38 ND1 HIS G 93 29.311 62.233 56.453 1.00129.27 N +ATOM 39 CD2 HIS G 93 28.766 60.138 56.754 1.00123.05 C +ATOM 40 CE1 HIS G 93 27.996 62.148 56.320 1.00146.35 C +ATOM 41 NE2 HIS G 93 27.645 60.889 56.497 1.00145.20 N +ATOM 42 N THR G 94 34.125 60.490 58.516 1.00 45.77 N +ATOM 43 CA THR G 94 35.360 59.766 58.655 1.00 40.28 C +ATOM 44 C THR G 94 35.517 59.203 60.064 1.00 35.63 C +ATOM 45 O THR G 94 35.862 58.022 60.220 1.00 33.92 O +ATOM 46 CB THR G 94 36.587 60.620 58.311 1.00 29.82 C +ATOM 47 OG1 THR G 94 36.467 61.178 56.988 1.00 36.03 O +ATOM 48 CG2 THR G 94 37.810 59.757 58.410 1.00 27.44 C +ATOM 49 N VAL G 95 35.306 60.048 61.079 1.00 39.02 N +ATOM 50 CA VAL G 95 35.367 59.616 62.477 1.00 30.68 C +ATOM 51 C VAL G 95 34.486 58.389 62.678 1.00 35.17 C +ATOM 52 O VAL G 95 34.879 57.430 63.332 1.00 30.13 O +ATOM 53 CB VAL G 95 34.875 60.704 63.461 1.00 34.24 C +ATOM 54 CG1 VAL G 95 34.269 60.074 64.703 1.00 29.67 C +ATOM 55 CG2 VAL G 95 36.014 61.671 63.866 1.00 27.91 C +ATOM 64 N ALA G 97 33.610 56.175 60.577 1.00 45.54 N +ATOM 65 CA ALA G 97 34.006 55.024 59.789 1.00 48.90 C +ATOM 66 C ALA G 97 35.187 54.386 60.474 1.00 38.59 C +ATOM 67 O ALA G 97 35.253 53.149 60.607 1.00 46.35 O +ATOM 68 CB ALA G 97 34.367 55.439 58.415 1.00 27.70 C +ATOM 69 N LEU G 98 36.110 55.242 60.921 1.00 42.30 N +ATOM 70 CA LEU G 98 37.236 54.793 61.692 1.00 31.04 C +ATOM 71 C LEU G 98 36.761 54.042 62.949 1.00 30.84 C +ATOM 72 O LEU G 98 37.263 52.972 63.249 1.00 29.15 O +ATOM 73 CB LEU G 98 38.121 55.974 62.039 1.00 25.01 C +ATOM 74 CG LEU G 98 38.958 56.551 60.881 1.00 24.48 C +ATOM 75 CD1 LEU G 98 39.630 57.894 61.162 1.00 26.69 C +ATOM 76 CD2 LEU G 98 39.999 55.497 60.379 1.00 22.58 C +ATOM 85 N ALA G 100 34.219 52.192 63.374 1.00 29.96 N +ATOM 86 CA ALA G 100 33.726 50.875 62.987 1.00 44.70 C +ATOM 87 C ALA G 100 34.911 49.994 62.598 1.00 51.10 C +ATOM 88 O ALA G 100 35.000 48.832 62.987 1.00 54.96 O +ATOM 89 CB ALA G 100 32.746 51.009 61.844 1.00 43.68 C +ATOM 90 N SER G 101 35.824 50.574 61.828 1.00 55.29 N +ATOM 91 CA SER G 101 37.033 49.893 61.428 1.00 48.37 C +ATOM 92 C SER G 101 37.778 49.325 62.607 1.00 40.00 C +ATOM 93 O SER G 101 38.118 48.149 62.618 1.00 43.40 O +ATOM 94 CB SER G 101 37.946 50.844 60.682 1.00 42.17 C +ATOM 95 OG SER G 101 37.553 50.916 59.328 1.00 53.88 O +ATOM 96 N LEU G 102 38.043 50.157 63.598 1.00 53.64 N +ATOM 97 CA LEU G 102 38.715 49.712 64.805 1.00 41.44 C +ATOM 98 C LEU G 102 37.981 48.597 65.579 1.00 46.08 C +ATOM 99 O LEU G 102 38.628 47.756 66.165 1.00 43.63 O +ATOM 100 CB LEU G 102 38.992 50.905 65.697 1.00 37.48 C +ATOM 101 CG LEU G 102 39.881 50.652 66.905 1.00 26.44 C +ATOM 102 CD1 LEU G 102 41.291 50.107 66.580 1.00 23.92 C +ATOM 103 CD2 LEU G 102 40.010 51.926 67.576 1.00 19.74 C +ATOM 104 N ASP G 103 36.649 48.580 65.576 1.00 33.68 N +ATOM 105 CA ASP G 103 35.891 47.453 66.135 1.00 39.37 C +ATOM 106 C ASP G 103 36.162 46.176 65.349 1.00 53.01 C +ATOM 107 O ASP G 103 36.389 45.113 65.934 1.00 53.76 O +ATOM 108 CB ASP G 103 34.376 47.697 66.109 1.00 51.85 C +ATOM 109 CG ASP G 103 33.897 48.597 67.233 1.00 44.39 C +ATOM 110 OD1 ASP G 103 34.580 48.687 68.273 1.00 37.70 O +ATOM 111 OD2 ASP G 103 32.820 49.218 67.082 1.00 48.38 O +ATOM 112 N ALA G 104 36.106 46.285 64.020 1.00 40.25 N +ATOM 113 CA ALA G 104 36.299 45.144 63.152 1.00 46.91 C +ATOM 114 C ALA G 104 37.726 44.693 63.343 1.00 36.14 C +ATOM 115 O ALA G 104 38.010 43.489 63.435 1.00 36.22 O +ATOM 116 CB ALA G 104 36.047 45.516 61.733 1.00 37.59 C +ATOM 117 N GLU G 105 38.643 45.642 63.445 1.00 57.33 N +ATOM 118 CA GLU G 105 40.013 45.245 63.681 1.00 44.18 C +ATOM 119 C GLU G 105 40.158 44.434 64.962 1.00 41.89 C +ATOM 120 O GLU G 105 40.721 43.366 64.933 1.00 40.66 O +ATOM 121 CB GLU G 105 40.937 46.441 63.700 1.00 55.06 C +ATOM 122 CG GLU G 105 42.379 46.076 63.511 1.00 47.61 C +ATOM 123 CD GLU G 105 42.592 45.129 62.341 1.00 57.73 C +ATOM 124 OE1 GLU G 105 42.095 45.399 61.206 1.00 60.58 O +ATOM 125 OE2 GLU G 105 43.262 44.091 62.572 1.00 58.37 O +ATOM 126 N LYS G 106 39.628 44.922 66.079 1.00 53.54 N +ATOM 127 CA LYS G 106 39.791 44.223 67.344 1.00 50.82 C +ATOM 128 C LYS G 106 39.184 42.831 67.265 1.00 59.23 C +ATOM 129 O LYS G 106 39.789 41.837 67.686 1.00 56.07 O +ATOM 130 CB LYS G 106 39.184 45.021 68.494 1.00 56.93 C +ATOM 131 CG LYS G 106 39.937 46.333 68.790 1.00 46.36 C +ATOM 132 CD LYS G 106 39.823 46.757 70.246 1.00 46.12 C +ATOM 133 CE LYS G 106 38.392 47.120 70.593 1.00 54.16 C +ATOM 134 NZ LYS G 106 38.227 47.576 72.032 1.00 60.06 N +ATOM 135 N ALA G 107 37.986 42.760 66.700 1.00 37.08 N +ATOM 136 CA ALA G 107 37.275 41.505 66.567 1.00 42.49 C +ATOM 137 C ALA G 107 38.072 40.477 65.804 1.00 43.72 C +ATOM 138 O ALA G 107 38.184 39.352 66.270 1.00 43.92 O +ATOM 139 CB ALA G 107 35.935 41.718 65.909 1.00 35.47 C +ATOM 140 N GLN G 108 38.593 40.825 64.625 1.00 57.81 N +ATOM 141 CA GLN G 108 39.263 39.818 63.816 1.00 61.75 C +ATOM 142 C GLN G 108 40.564 39.512 64.520 1.00 52.48 C +ATOM 143 O GLN G 108 40.986 38.365 64.618 1.00 54.31 O +ATOM 144 CB GLN G 108 39.472 40.257 62.361 1.00 94.49 C +ATOM 145 CG GLN G 108 40.634 41.202 62.140 1.00 89.37 C +ATOM 146 CD GLN G 108 41.631 40.719 61.083 1.00 91.74 C +ATOM 147 OE1 GLN G 108 41.244 40.185 60.032 1.00 98.07 O +ATOM 148 NE2 GLN G 108 42.928 40.926 61.355 1.00 84.53 N +ATOM 149 N GLY G 109 41.169 40.545 65.074 1.00 55.44 N +ATOM 150 CA GLY G 109 42.366 40.383 65.850 1.00 45.46 C +ATOM 151 C GLY G 109 42.276 39.295 66.893 1.00 46.47 C +ATOM 152 O GLY G 109 43.171 38.475 66.968 1.00 45.13 O +ATOM 153 N GLN G 110 41.236 39.251 67.717 1.00 54.06 N +ATOM 154 CA GLN G 110 41.275 38.247 68.772 1.00 53.84 C +ATOM 155 C GLN G 110 40.777 36.860 68.340 1.00 57.82 C +ATOM 156 O GLN G 110 41.127 35.848 68.959 1.00 56.53 O +ATOM 157 CB GLN G 110 40.571 38.723 70.026 1.00 72.21 C +ATOM 158 CG GLN G 110 39.105 38.473 70.057 1.00 85.42 C +ATOM 159 CD GLN G 110 38.578 38.605 71.457 1.00104.03 C +ATOM 160 OE1 GLN G 110 38.722 37.691 72.271 1.00109.92 O +ATOM 161 NE2 GLN G 110 37.988 39.755 71.763 1.00108.65 N +ATOM 162 N LYS G 111 39.975 36.810 67.277 1.00 41.28 N +ATOM 163 CA LYS G 111 39.482 35.553 66.747 1.00 45.37 C +ATOM 164 C LYS G 111 40.696 34.805 66.236 1.00 41.43 C +ATOM 165 O LYS G 111 40.825 33.601 66.443 1.00 40.62 O +ATOM 166 CB LYS G 111 38.470 35.795 65.626 1.00 47.32 C +ATOM 167 CG LYS G 111 37.710 34.564 65.163 1.00 59.89 C +ATOM 168 CD LYS G 111 36.745 34.923 64.041 1.00 81.02 C +ATOM 169 CE LYS G 111 36.307 33.705 63.253 1.00 97.66 C +ATOM 170 NZ LYS G 111 35.872 34.098 61.881 1.00112.57 N +ATOM 171 N LYS G 112 41.609 35.539 65.605 1.00 55.36 N +ATOM 172 CA LYS G 112 42.842 34.940 65.102 1.00 53.33 C +ATOM 173 C LYS G 112 43.688 34.416 66.252 1.00 47.29 C +ATOM 174 O LYS G 112 44.138 33.273 66.222 1.00 49.25 O +ATOM 175 CB LYS G 112 43.657 35.943 64.264 1.00 56.10 C +ATOM 176 CG LYS G 112 44.823 35.310 63.480 1.00 57.96 C +ATOM 177 CD LYS G 112 44.343 34.160 62.609 1.00 74.94 C +ATOM 178 CE LYS G 112 45.273 33.868 61.438 1.00 80.35 C +ATOM 179 NZ LYS G 112 44.580 33.063 60.377 1.00 94.70 N +ATOM 180 N VAL G 113 43.903 35.251 67.261 1.00 57.33 N +ATOM 181 CA VAL G 113 44.698 34.848 68.406 1.00 53.91 C +ATOM 182 C VAL G 113 44.098 33.654 69.163 1.00 56.50 C +ATOM 183 O VAL G 113 44.836 32.845 69.711 1.00 54.82 O +ATOM 184 CB VAL G 113 44.963 36.032 69.365 1.00 49.11 C +ATOM 185 CG1 VAL G 113 45.408 35.534 70.719 1.00 45.57 C +ATOM 186 CG2 VAL G 113 46.034 36.944 68.779 1.00 43.20 C +ATOM 187 N GLU G 114 42.771 33.534 69.195 1.00 45.84 N +ATOM 188 CA GLU G 114 42.169 32.398 69.871 1.00 48.86 C +ATOM 189 C GLU G 114 42.430 31.130 69.080 1.00 51.10 C +ATOM 190 O GLU G 114 42.873 30.120 69.626 1.00 49.64 O +ATOM 191 CB GLU G 114 40.677 32.603 70.061 1.00 60.82 C +ATOM 192 CG GLU G 114 40.330 33.029 71.456 1.00 67.95 C +ATOM 193 CD GLU G 114 39.076 33.863 71.504 1.00 85.77 C +ATOM 194 OE1 GLU G 114 38.129 33.526 70.752 1.00 91.37 O +ATOM 195 OE2 GLU G 114 39.048 34.851 72.286 1.00 90.31 O +ATOM 196 N GLU G 115 42.143 31.181 67.788 1.00 50.96 N +ATOM 197 CA GLU G 115 42.404 30.048 66.939 1.00 54.55 C +ATOM 198 C GLU G 115 43.879 29.652 67.098 1.00 51.33 C +ATOM 199 O GLU G 115 44.205 28.472 67.241 1.00 52.42 O +ATOM 200 CB GLU G 115 42.045 30.369 65.486 1.00 76.45 C +ATOM 201 CG GLU G 115 40.549 30.635 65.261 1.00 86.96 C +ATOM 202 CD GLU G 115 40.223 31.083 63.837 1.00106.33 C +ATOM 203 OE1 GLU G 115 41.174 31.293 63.049 1.00109.41 O +ATOM 204 OE2 GLU G 115 39.020 31.228 63.511 1.00114.71 O +ATOM 205 N LEU G 116 44.772 30.631 67.109 1.00 60.43 N +ATOM 206 CA LEU G 116 46.191 30.307 67.186 1.00 58.61 C +ATOM 207 C LEU G 116 46.542 29.694 68.532 1.00 55.75 C +ATOM 208 O LEU G 116 47.303 28.739 68.594 1.00 57.25 O +ATOM 209 CB LEU G 116 47.073 31.528 66.870 1.00 55.58 C +ATOM 210 CG LEU G 116 47.763 31.524 65.491 1.00 61.87 C +ATOM 211 CD1 LEU G 116 47.123 30.585 64.495 1.00 63.97 C +ATOM 212 CD2 LEU G 116 47.812 32.916 64.898 1.00 55.39 C +ATOM 213 N GLU G 117 45.978 30.229 69.608 1.00 66.02 N +ATOM 214 CA GLU G 117 46.263 29.714 70.941 1.00 65.22 C +ATOM 215 C GLU G 117 45.740 28.290 71.086 1.00 66.82 C +ATOM 216 O GLU G 117 46.339 27.463 71.778 1.00 68.62 O +ATOM 217 CB GLU G 117 45.701 30.644 72.013 1.00 60.35 C +ATOM 218 CG GLU G 117 46.672 31.752 72.376 1.00 61.41 C +ATOM 219 CD GLU G 117 46.072 32.854 73.262 1.00 65.18 C +ATOM 220 OE1 GLU G 117 44.820 32.890 73.439 1.00 65.87 O +ATOM 221 OE2 GLU G 117 46.873 33.699 73.767 1.00 64.84 O +ATOM 222 N GLY G 118 44.631 28.013 70.408 1.00 52.42 N +ATOM 223 CA GLY G 118 44.107 26.667 70.302 1.00 55.92 C +ATOM 224 C GLY G 118 45.151 25.723 69.735 1.00 57.26 C +ATOM 225 O GLY G 118 45.522 24.739 70.380 1.00 56.81 O +ATOM 226 N GLU G 119 45.626 26.026 68.528 1.00 58.14 N +ATOM 227 CA GLU G 119 46.648 25.226 67.875 1.00 61.87 C +ATOM 228 C GLU G 119 47.803 24.968 68.814 1.00 60.55 C +ATOM 229 O GLU G 119 48.404 23.890 68.789 1.00 64.80 O +ATOM 230 CB GLU G 119 47.161 25.911 66.619 1.00 93.09 C +ATOM 231 CG GLU G 119 46.229 25.787 65.438 1.00104.09 C +ATOM 232 CD GLU G 119 46.781 26.452 64.187 1.00117.10 C +ATOM 233 OE1 GLU G 119 48.020 26.622 64.097 1.00118.02 O +ATOM 234 OE2 GLU G 119 45.976 26.803 63.294 1.00122.48 O +ATOM 235 N ILE G 120 48.119 25.942 69.652 1.00 53.53 N +ATOM 236 CA ILE G 120 49.223 25.750 70.571 1.00 54.46 C +ATOM 237 C ILE G 120 48.902 24.720 71.663 1.00 55.69 C +ATOM 238 O ILE G 120 49.713 23.830 71.949 1.00 59.81 O +ATOM 239 CB ILE G 120 49.712 27.076 71.130 1.00 56.32 C +ATOM 240 CG1 ILE G 120 50.481 27.804 70.021 1.00 58.56 C +ATOM 241 CG2 ILE G 120 50.611 26.854 72.311 1.00 55.45 C +ATOM 242 CD1 ILE G 120 50.967 29.188 70.394 1.00 51.20 C +ATOM 243 N THR G 121 47.714 24.811 72.248 1.00 58.86 N +ATOM 244 CA THR G 121 47.314 23.823 73.238 1.00 59.80 C +ATOM 245 C THR G 121 47.353 22.385 72.683 1.00 60.33 C +ATOM 246 O THR G 121 47.877 21.481 73.326 1.00 62.92 O +ATOM 247 CB THR G 121 45.936 24.150 73.835 1.00 60.86 C +ATOM 248 OG1 THR G 121 46.054 25.304 74.674 1.00 61.61 O +ATOM 249 CG2 THR G 121 45.432 22.985 74.663 1.00 62.03 C +ATOM 250 N THR G 122 46.814 22.182 71.486 1.00 57.61 N +ATOM 251 CA THR G 122 46.855 20.878 70.835 1.00 59.60 C +ATOM 252 C THR G 122 48.284 20.355 70.604 1.00 63.25 C +ATOM 253 O THR G 122 48.612 19.229 70.996 1.00 65.78 O +ATOM 254 CB THR G 122 46.118 20.913 69.502 1.00 63.42 C +ATOM 255 OG1 THR G 122 44.720 21.082 69.741 1.00 63.33 O +ATOM 256 CG2 THR G 122 46.331 19.622 68.761 1.00 66.80 C +ATOM 257 N LEU G 123 49.133 21.157 69.963 1.00 51.91 N +ATOM 258 CA LEU G 123 50.526 20.755 69.792 1.00 57.25 C +ATOM 259 C LEU G 123 51.117 20.380 71.138 1.00 59.74 C +ATOM 260 O LEU G 123 51.734 19.332 71.277 1.00 65.66 O +ATOM 261 CB LEU G 123 51.375 21.855 69.154 1.00 56.21 C +ATOM 262 CG LEU G 123 51.558 21.905 67.629 1.00 60.98 C +ATOM 263 CD1 LEU G 123 51.384 20.543 66.993 1.00 59.75 C +ATOM 264 CD2 LEU G 123 50.605 22.892 66.984 1.00 60.98 C +ATOM 265 N ASN G 124 50.921 21.219 72.148 1.00 51.13 N +ATOM 266 CA ASN G 124 51.474 20.882 73.456 1.00 56.40 C +ATOM 267 C ASN G 124 51.134 19.475 73.919 1.00 57.84 C +ATOM 268 O ASN G 124 52.022 18.716 74.334 1.00 62.27 O +ATOM 269 CB ASN G 124 51.089 21.901 74.506 1.00 60.69 C +ATOM 270 CG ASN G 124 51.993 23.090 74.483 1.00 64.35 C +ATOM 271 OD1 ASN G 124 53.176 22.984 74.141 1.00 71.87 O +ATOM 272 ND2 ASN G 124 51.450 24.244 74.842 1.00 62.77 N +ATOM 273 N HIS G 125 49.850 19.134 73.834 1.00 63.47 N +ATOM 274 CA HIS G 125 49.383 17.816 74.238 1.00 64.60 C +ATOM 275 C HIS G 125 50.066 16.690 73.449 1.00 68.23 C +ATOM 276 O HIS G 125 50.470 15.675 74.020 1.00 71.76 O +ATOM 277 CB HIS G 125 47.865 17.739 74.103 1.00 65.59 C +ATOM 278 CG HIS G 125 47.140 18.627 75.060 1.00 60.36 C +ATOM 279 ND1 HIS G 125 45.847 19.051 74.851 1.00 58.90 N +ATOM 280 CD2 HIS G 125 47.537 19.175 76.230 1.00 60.54 C +ATOM 281 CE1 HIS G 125 45.478 19.834 75.852 1.00 56.50 C +ATOM 282 NE2 HIS G 125 46.480 19.922 76.702 1.00 62.16 N +ATOM 283 N LYS G 126 50.202 16.887 72.141 1.00 74.61 N +ATOM 284 CA LYS G 126 50.769 15.877 71.269 1.00 79.83 C +ATOM 285 C LYS G 126 52.249 15.692 71.549 1.00 88.84 C +ATOM 286 O LYS G 126 52.765 14.569 71.525 1.00 93.67 O +ATOM 287 CB LYS G 126 50.552 16.254 69.808 1.00 65.79 C +ATOM 288 CG LYS G 126 49.100 16.167 69.337 1.00 61.29 C +ATOM 289 CD LYS G 126 48.995 16.730 67.926 1.00 64.92 C +ATOM 290 CE LYS G 126 47.602 16.601 67.336 1.00 68.66 C +ATOM 291 NZ LYS G 126 47.530 17.456 66.101 1.00 73.64 N +ATOM 292 N LEU G 127 52.933 16.795 71.815 1.00 58.98 N +ATOM 293 CA LEU G 127 54.347 16.735 72.167 1.00 70.61 C +ATOM 294 C LEU G 127 54.540 16.123 73.549 1.00 76.97 C +ATOM 295 O LEU G 127 55.461 15.344 73.774 1.00 86.02 O +ATOM 296 CB LEU G 127 54.966 18.119 72.123 1.00 55.35 C +ATOM 297 CG LEU G 127 56.469 18.131 72.325 1.00 64.37 C +ATOM 298 CD1 LEU G 127 57.119 17.413 71.172 1.00 68.47 C +ATOM 299 CD2 LEU G 127 56.962 19.552 72.372 1.00 60.63 C +ATOM 300 N GLN G 128 53.657 16.481 74.473 1.00 73.65 N +ATOM 301 CA GLN G 128 53.630 15.871 75.795 1.00 81.73 C +ATOM 302 C GLN G 128 53.602 14.344 75.684 1.00 84.46 C +ATOM 303 O GLN G 128 54.332 13.638 76.387 1.00 93.49 O +ATOM 304 CB GLN G 128 52.408 16.374 76.561 1.00138.95 C +ATOM 305 CG GLN G 128 52.262 15.843 77.973 1.00149.18 C +ATOM 306 CD GLN G 128 50.929 16.229 78.578 1.00149.03 C +ATOM 307 OE1 GLN G 128 50.382 17.293 78.271 1.00146.57 O +ATOM 308 NE2 GLN G 128 50.392 15.364 79.432 1.00152.31 N +ATOM 309 N ASP G 129 52.764 13.841 74.784 1.00102.25 N +ATOM 310 CA ASP G 129 52.601 12.401 74.598 1.00104.47 C +ATOM 311 C ASP G 129 53.796 11.734 73.911 1.00113.10 C +ATOM 312 O ASP G 129 54.345 10.764 74.416 1.00121.07 O +ATOM 313 CB ASP G 129 51.326 12.114 73.810 1.00 89.08 C +ATOM 314 CG ASP G 129 50.082 12.632 74.501 1.00 82.78 C +ATOM 315 OD1 ASP G 129 50.043 12.665 75.756 1.00 82.55 O +ATOM 316 OD2 ASP G 129 49.131 12.993 73.778 1.00 73.61 O +ATOM 317 N ALA G 130 54.185 12.243 72.751 1.00 83.28 N +ATOM 318 CA ALA G 130 55.360 11.733 72.065 1.00 93.39 C +ATOM 319 C ALA G 130 56.541 11.670 73.025 1.00105.61 C +ATOM 320 O ALA G 130 57.270 10.689 73.056 1.00113.41 O +ATOM 321 CB ALA G 130 55.693 12.609 70.857 1.00 62.99 C +ATOM 322 N SER G 131 56.724 12.721 73.813 1.00 83.91 N +ATOM 323 CA SER G 131 57.814 12.762 74.771 1.00 94.29 C +ATOM 324 C SER G 131 57.684 11.627 75.791 1.00 97.12 C +ATOM 325 O SER G 131 58.679 11.027 76.206 1.00102.84 O +ATOM 326 CB SER G 131 57.840 14.115 75.478 1.00197.47 C +ATOM 327 OG SER G 131 59.152 14.641 75.517 1.00198.71 O +ATOM 328 N ALA G 132 56.448 11.331 76.187 1.00114.97 N +ATOM 329 CA ALA G 132 56.167 10.264 77.149 1.00121.89 C +ATOM 330 C ALA G 132 56.349 8.860 76.560 1.00124.48 C +ATOM 331 O ALA G 132 57.040 8.023 77.132 1.00194.85 O +ATOM 332 CB ALA G 132 54.759 10.422 77.713 1.00103.19 C +ATOM 333 N GLU G 133 55.711 8.604 75.424 1.00178.23 N +ATOM 334 CA GLU G 133 55.841 7.315 74.759 1.00181.04 C +ATOM 335 C GLU G 133 57.308 6.945 74.576 1.00192.75 C +ATOM 336 O GLU G 133 57.676 5.782 74.690 1.00199.58 O +ATOM 337 CB GLU G 133 55.116 7.329 73.415 1.00120.53 C +ATOM 338 CG GLU G 133 55.406 6.130 72.530 1.00124.77 C +ATOM 339 CD GLU G 133 54.293 5.084 72.530 1.00120.56 C +ATOM 340 OE1 GLU G 133 53.366 5.180 73.364 1.00112.86 O +ATOM 341 OE2 GLU G 133 54.349 4.157 71.691 1.00125.33 O +ATOM 342 N VAL G 134 58.145 7.939 74.297 1.00110.64 N +ATOM 343 CA VAL G 134 59.583 7.712 74.160 1.00122.21 C +ATOM 344 C VAL G 134 60.190 7.111 75.415 1.00130.74 C +ATOM 345 O VAL G 134 60.872 6.088 75.353 1.00139.40 O +ATOM 346 CB VAL G 134 60.361 9.009 73.859 1.00 92.43 C +ATOM 347 CG1 VAL G 134 61.715 8.990 74.561 1.00 96.49 C +ATOM 348 CG2 VAL G 134 60.544 9.204 72.362 1.00 90.66 C +ATOM 349 N GLU G 135 59.959 7.758 76.552 1.00114.37 N +ATOM 350 CA GLU G 135 60.535 7.292 77.807 1.00125.41 C +ATOM 351 C GLU G 135 59.991 5.910 78.158 1.00134.09 C +ATOM 352 O GLU G 135 60.655 5.131 78.831 1.00145.26 O +ATOM 353 CB GLU G 135 60.248 8.281 78.936 1.00168.88 C +ATOM 354 CG GLU G 135 58.768 8.480 79.205 1.00179.17 C +ATOM 355 CD GLU G 135 58.495 9.230 80.489 1.00177.27 C +ATOM 356 OE1 GLU G 135 57.322 9.275 80.915 1.00174.38 O +ATOM 357 OE2 GLU G 135 59.453 9.770 81.077 1.00178.93 O +ATOM 358 N ARG G 136 58.780 5.617 77.689 1.00162.89 N +ATOM 359 CA ARG G 136 58.138 4.326 77.935 1.00164.55 C +ATOM 360 C ARG G 136 58.707 3.215 77.055 1.00168.79 C +ATOM 361 O ARG G 136 58.674 2.043 77.428 1.00172.08 O +ATOM 362 CB ARG G 136 56.623 4.430 77.742 1.00161.81 C +ATOM 363 CG ARG G 136 55.972 3.198 77.128 1.00154.61 C +ATOM 364 CD ARG G 136 54.454 3.301 77.190 1.00142.82 C +ATOM 365 NE ARG G 136 53.717 2.624 76.116 1.00134.26 N +ATOM 366 CZ ARG G 136 54.223 1.768 75.226 1.00132.41 C +ATOM 367 NH1 ARG G 136 55.504 1.430 75.243 1.00135.70 N +ATOM 368 NH2 ARG G 136 53.426 1.231 74.310 1.00125.60 N +ATOM 369 N LEU G 137 59.224 3.585 75.888 1.00175.49 N +ATOM 370 CA LEU G 137 59.878 2.621 75.012 1.00180.29 C +ATOM 371 C LEU G 137 61.345 2.439 75.368 1.00197.13 C +ATOM 372 O LEU G 137 61.898 1.353 75.203 1.00203.31 O +ATOM 373 CB LEU G 137 59.731 3.014 73.544 1.00137.24 C +ATOM 374 CG LEU G 137 58.343 2.714 72.974 1.00120.93 C +ATOM 375 CD1 LEU G 137 58.388 2.713 71.461 1.00112.82 C +ATOM 376 CD2 LEU G 137 57.797 1.396 73.505 1.00118.91 C +ATOM 377 N ARG G 138 61.977 3.499 75.856 1.00126.11 N +ATOM 378 CA ARG G 138 63.378 3.406 76.242 1.00141.71 C +ATOM 379 C ARG G 138 63.565 2.429 77.400 1.00152.76 C +ATOM 380 O ARG G 138 64.185 1.375 77.247 1.00156.53 O +ATOM 381 CB ARG G 138 63.937 4.783 76.603 1.00141.18 C +ATOM 382 CG ARG G 138 64.237 5.660 75.397 1.00145.17 C +ATOM 383 CD ARG G 138 64.752 7.043 75.791 1.00137.41 C +ATOM 384 NE ARG G 138 65.406 7.730 74.672 1.00135.59 N +ATOM 385 CZ ARG G 138 65.661 9.038 74.626 1.00131.56 C +ATOM 386 NH1 ARG G 138 65.309 9.832 75.633 1.00127.45 N +ATOM 387 NH2 ARG G 138 66.264 9.559 73.565 1.00129.46 N +ATOM 388 N ARG G 139 60.987 2.353 78.538 1.00315.70 N +ATOM 389 CA ARG G 139 61.406 1.319 79.475 1.00319.71 C +ATOM 390 C ARG G 139 61.197 -0.093 78.938 1.00323.14 C +ATOM 391 O ARG G 139 61.830 -1.038 79.395 1.00328.65 O +ATOM 392 CB ARG G 139 60.727 1.518 80.825 1.00154.06 C +ATOM 393 CG ARG G 139 61.358 2.628 81.625 1.00152.12 C +ATOM 394 CD ARG G 139 60.350 3.685 82.062 1.00149.75 C +ATOM 395 NE ARG G 139 60.967 5.004 82.066 1.00147.40 N +ATOM 396 CZ ARG G 139 60.360 6.121 82.455 1.00145.18 C +ATOM 397 NH1 ARG G 139 59.105 6.084 82.882 1.00144.97 N +ATOM 398 NH2 ARG G 139 61.015 7.279 82.422 1.00143.34 N +ATOM 399 N GLU G 140 60.305 -0.234 77.970 1.00281.51 N +ATOM 400 CA GLU G 140 60.230 -1.474 77.227 1.00284.31 C +ATOM 401 C GLU G 140 61.422 -1.567 76.313 1.00290.59 C +ATOM 402 O GLU G 140 61.336 -1.257 75.134 1.00291.69 O +ATOM 403 CB GLU G 140 58.951 -1.544 76.416 1.00178.24 C +ATOM 404 CG GLU G 140 57.757 -1.800 77.244 1.00178.69 C +ATOM 405 CD GLU G 140 56.525 -2.131 76.430 1.00179.68 C +ATOM 406 OE1 GLU G 140 56.678 -2.408 75.227 1.00180.61 O +ATOM 407 OE2 GLU G 140 55.419 -2.115 77.012 1.00179.70 O +ATOM 408 N ASN G 141 62.549 -1.968 76.881 1.00154.97 N +ATOM 409 CA ASN G 141 63.791 -2.105 76.124 1.00155.89 C +ATOM 410 C ASN G 141 64.967 -2.365 77.070 1.00156.89 C +ATOM 411 O ASN G 141 64.786 -2.513 78.285 1.00157.03 O +ATOM 412 CB ASN G 141 64.050 -0.864 75.222 1.00153.35 C +ATOM 414 N ALA H 89 40.628 71.954 65.245 1.00 51.90 N +ATOM 415 CA ALA H 89 39.252 71.652 65.584 1.00 56.56 C +ATOM 416 C ALA H 89 39.082 70.212 66.077 1.00 44.37 C +ATOM 417 O ALA H 89 39.865 69.303 65.774 1.00 51.67 O +ATOM 418 CB ALA H 89 38.345 71.905 64.425 1.00 27.27 C +ATOM 419 N THR H 90 38.028 70.016 66.839 1.00 82.53 N +ATOM 420 CA THR H 90 37.932 68.839 67.624 1.00 58.93 C +ATOM 421 C THR H 90 37.862 67.629 66.731 1.00 36.81 C +ATOM 422 O THR H 90 38.428 66.600 67.051 1.00 37.66 O +ATOM 423 CB THR H 90 36.744 68.958 68.566 1.00 30.89 C +ATOM 424 OG1 THR H 90 37.014 70.008 69.490 1.00 55.04 O +ATOM 425 CG2 THR H 90 36.450 67.586 69.361 1.00 15.85 C +ATOM 426 N CYS H 91 37.190 67.739 65.591 1.00 53.36 N +ATOM 427 CA CYS H 91 36.952 66.549 64.781 1.00 40.63 C +ATOM 428 C CYS H 91 38.233 66.026 64.155 1.00 57.05 C +ATOM 429 O CYS H 91 38.488 64.830 64.135 1.00 45.37 O +ATOM 430 CB CYS H 91 35.892 66.783 63.731 1.00 71.24 C +ATOM 431 SG CYS H 91 35.573 65.243 62.876 1.00 67.64 S +ATOM 432 N ASN H 92 39.034 66.950 63.645 1.00 19.16 N +ATOM 433 CA ASN H 92 40.375 66.692 63.132 1.00 27.20 C +ATOM 434 C ASN H 92 41.230 65.963 64.135 1.00 33.89 C +ATOM 435 O ASN H 92 41.777 64.900 63.820 1.00 30.15 O +ATOM 436 CB ASN H 92 41.034 68.019 62.756 1.00 54.80 C +ATOM 437 CG ASN H 92 40.575 68.551 61.415 1.00 60.62 C +ATOM 438 OD1 ASN H 92 39.629 68.058 60.822 1.00 56.10 O +ATOM 439 ND2 ASN H 92 41.266 69.562 60.925 1.00 59.36 N +ATOM 440 N HIS H 93 41.323 66.520 65.349 1.00 55.02 N +ATOM 441 CA HIS H 93 42.113 65.906 66.409 1.00 53.81 C +ATOM 442 C HIS H 93 41.661 64.520 66.663 1.00 38.08 C +ATOM 443 O HIS H 93 42.481 63.644 66.890 1.00 39.93 O +ATOM 444 CB HIS H 93 42.075 66.698 67.702 1.00 59.55 C +ATOM 445 CG HIS H 93 42.981 67.886 67.680 1.00 70.32 C +ATOM 446 ND1 HIS H 93 42.525 69.174 67.821 1.00 77.22 N +ATOM 447 CD2 HIS H 93 44.317 67.971 67.446 1.00 71.15 C +ATOM 448 CE1 HIS H 93 43.544 70.010 67.707 1.00 71.00 C +ATOM 449 NE2 HIS H 93 44.640 69.308 67.478 1.00 74.55 N +ATOM 450 N THR H 94 40.355 64.312 66.596 1.00 91.26 N +ATOM 451 CA THR H 94 39.801 63.020 66.892 1.00 53.67 C +ATOM 452 C THR H 94 40.126 61.978 65.832 1.00 47.24 C +ATOM 453 O THR H 94 40.471 60.843 66.138 1.00 49.03 O +ATOM 454 CB THR H 94 38.300 63.083 67.038 1.00 36.84 C +ATOM 455 OG1 THR H 94 37.934 63.983 68.083 1.00 44.21 O +ATOM 456 CG2 THR H 94 37.772 61.712 67.433 1.00 14.27 C +ATOM 457 N VAL H 95 39.978 62.351 64.570 1.00 28.41 N +ATOM 458 CA VAL H 95 40.412 61.522 63.423 1.00 32.20 C +ATOM 459 C VAL H 95 41.861 61.105 63.457 1.00 72.95 C +ATOM 460 O VAL H 95 42.189 59.979 63.130 1.00 68.20 O +ATOM 461 CB VAL H 95 40.193 62.250 62.099 1.00 40.12 C +ATOM 462 CG1 VAL H 95 41.022 61.613 61.011 1.00 62.27 C +ATOM 463 CG2 VAL H 95 38.743 62.191 61.737 1.00 14.03 C +ATOM 472 N ALA H 97 43.651 60.840 66.210 1.00 69.74 N +ATOM 473 CA ALA H 97 43.725 59.890 67.297 1.00 60.53 C +ATOM 474 C ALA H 97 43.290 58.489 66.846 1.00 38.09 C +ATOM 475 O ALA H 97 43.993 57.494 67.088 1.00 43.73 O +ATOM 476 CB ALA H 97 42.878 60.358 68.434 1.00 38.10 C +ATOM 477 N LEU H 98 42.141 58.405 66.186 1.00 62.48 N +ATOM 478 CA LEU H 98 41.675 57.130 65.693 1.00 34.68 C +ATOM 479 C LEU H 98 42.594 56.446 64.682 1.00 47.46 C +ATOM 480 O LEU H 98 42.745 55.238 64.720 1.00 41.92 O +ATOM 481 CB LEU H 98 40.313 57.283 65.089 1.00 36.72 C +ATOM 482 CG LEU H 98 39.248 57.636 66.127 1.00 25.54 C +ATOM 483 CD1 LEU H 98 38.125 58.293 65.411 1.00 21.56 C +ATOM 484 CD2 LEU H 98 38.729 56.458 66.845 1.00 16.29 C +ATOM 493 N ALA H 100 45.784 56.771 64.556 1.00 35.76 N +ATOM 494 CA ALA H 100 46.918 56.307 65.313 1.00 40.52 C +ATOM 495 C ALA H 100 46.515 55.054 66.128 1.00 40.76 C +ATOM 496 O ALA H 100 47.282 54.072 66.243 1.00 40.00 O +ATOM 497 CB ALA H 100 47.413 57.425 66.221 1.00 24.28 C +ATOM 498 N SER H 101 45.303 55.093 66.670 1.00 78.80 N +ATOM 499 CA SER H 101 44.854 54.045 67.559 1.00 60.28 C +ATOM 500 C SER H 101 44.640 52.728 66.818 1.00 45.68 C +ATOM 501 O SER H 101 44.957 51.635 67.334 1.00 48.10 O +ATOM 502 CB SER H 101 43.576 54.466 68.247 1.00 42.06 C +ATOM 503 OG SER H 101 43.667 54.212 69.626 1.00 52.28 O +ATOM 504 N LEU H 102 44.126 52.848 65.601 1.00 51.14 N +ATOM 505 CA LEU H 102 43.948 51.730 64.691 1.00 35.74 C +ATOM 506 C LEU H 102 45.271 51.165 64.175 1.00 70.71 C +ATOM 507 O LEU H 102 45.408 49.967 63.988 1.00 66.41 O +ATOM 508 CB LEU H 102 43.109 52.203 63.524 1.00 42.84 C +ATOM 509 CG LEU H 102 42.626 51.206 62.487 1.00 31.55 C +ATOM 510 CD1 LEU H 102 42.037 49.890 63.103 1.00 16.96 C +ATOM 511 CD2 LEU H 102 41.588 51.906 61.691 1.00 23.99 C +ATOM 512 N ASP H 103 46.240 52.034 63.922 1.00 45.53 N +ATOM 513 CA ASP H 103 47.574 51.588 63.538 1.00 49.82 C +ATOM 514 C ASP H 103 48.154 50.751 64.665 1.00 53.70 C +ATOM 515 O ASP H 103 48.709 49.698 64.433 1.00 53.46 O +ATOM 516 CB ASP H 103 48.485 52.785 63.244 1.00 59.05 C +ATOM 517 CG ASP H 103 48.363 53.281 61.819 1.00 60.37 C +ATOM 518 OD1 ASP H 103 47.675 52.620 61.005 1.00 66.69 O +ATOM 519 OD2 ASP H 103 48.957 54.343 61.509 1.00 63.43 O +ATOM 520 N ALA H 104 48.017 51.253 65.889 1.00 46.54 N +ATOM 521 CA ALA H 104 48.487 50.573 67.089 1.00 51.69 C +ATOM 522 C ALA H 104 47.823 49.226 67.261 1.00 48.01 C +ATOM 523 O ALA H 104 48.492 48.230 67.510 1.00 49.80 O +ATOM 524 CB ALA H 104 48.202 51.407 68.288 1.00 51.95 C +ATOM 525 N GLU H 105 46.505 49.190 67.148 1.00 93.70 N +ATOM 526 CA GLU H 105 45.805 47.928 67.261 1.00 67.12 C +ATOM 527 C GLU H 105 46.328 46.900 66.271 1.00 73.92 C +ATOM 528 O GLU H 105 46.532 45.757 66.624 1.00 72.96 O +ATOM 529 CB GLU H 105 44.328 48.144 67.037 1.00 60.45 C +ATOM 530 CG GLU H 105 43.495 46.914 67.205 1.00 43.71 C +ATOM 531 CD GLU H 105 43.466 46.399 68.657 1.00 48.52 C +ATOM 532 OE1 GLU H 105 43.332 47.234 69.603 1.00 52.24 O +ATOM 533 OE2 GLU H 105 43.566 45.144 68.849 1.00 48.82 O +ATOM 534 N LYS H 106 46.549 47.319 65.030 1.00 41.02 N +ATOM 535 CA LYS H 106 46.974 46.435 63.942 1.00 47.31 C +ATOM 536 C LYS H 106 48.361 45.881 64.173 1.00 69.76 C +ATOM 537 O LYS H 106 48.658 44.737 63.852 1.00 73.91 O +ATOM 538 CB LYS H 106 46.962 47.183 62.626 1.00 68.86 C +ATOM 539 CG LYS H 106 45.630 47.202 61.908 1.00 44.94 C +ATOM 540 CD LYS H 106 45.750 48.046 60.614 1.00 58.69 C +ATOM 541 CE LYS H 106 44.429 48.183 59.834 1.00 67.19 C +ATOM 542 NZ LYS H 106 44.554 49.242 58.746 1.00 79.92 N +ATOM 543 N ALA H 107 49.209 46.716 64.737 1.00 47.66 N +ATOM 544 CA ALA H 107 50.593 46.379 64.969 1.00 52.73 C +ATOM 545 C ALA H 107 50.747 45.480 66.177 1.00 55.67 C +ATOM 546 O ALA H 107 51.494 44.512 66.126 1.00 60.19 O +ATOM 547 CB ALA H 107 51.434 47.656 65.140 1.00 31.08 C +ATOM 548 N GLN H 108 50.061 45.793 67.268 1.00 65.26 N +ATOM 549 CA GLN H 108 50.100 44.910 68.424 1.00 71.71 C +ATOM 550 C GLN H 108 49.584 43.514 68.047 1.00 67.81 C +ATOM 551 O GLN H 108 50.045 42.496 68.561 1.00 70.86 O +ATOM 552 CB GLN H 108 49.282 45.475 69.577 1.00 96.28 C +ATOM 553 CG GLN H 108 48.477 44.399 70.251 1.00 81.74 C +ATOM 554 CD GLN H 108 47.844 44.840 71.550 1.00 79.22 C +ATOM 555 OE1 GLN H 108 48.441 45.607 72.322 1.00 92.52 O +ATOM 556 NE2 GLN H 108 46.619 44.336 71.813 1.00 62.24 N +ATOM 557 N GLY H 109 48.631 43.474 67.128 1.00 56.22 N +ATOM 558 CA GLY H 109 48.036 42.227 66.701 1.00 36.90 C +ATOM 559 C GLY H 109 48.897 41.428 65.760 1.00 56.79 C +ATOM 560 O GLY H 109 48.951 40.203 65.859 1.00 55.02 O +ATOM 561 N GLN H 110 49.558 42.114 64.829 1.00 51.51 N +ATOM 562 CA GLN H 110 50.456 41.445 63.910 1.00 66.00 C +ATOM 563 C GLN H 110 51.600 40.790 64.676 1.00 67.04 C +ATOM 564 O GLN H 110 52.014 39.675 64.362 1.00 73.71 O +ATOM 565 CB GLN H 110 50.981 42.417 62.863 1.00110.89 C +ATOM 566 CG GLN H 110 51.595 41.700 61.693 1.00132.09 C +ATOM 567 CD GLN H 110 50.870 40.398 61.376 1.00135.84 C +ATOM 568 OE1 GLN H 110 51.501 39.359 61.179 1.00148.44 O +ATOM 569 NE2 GLN H 110 49.539 40.447 61.337 1.00111.23 N +ATOM 570 N LYS H 111 52.089 41.476 65.703 1.00 62.28 N +ATOM 571 CA LYS H 111 53.207 40.974 66.484 1.00 67.05 C +ATOM 572 C LYS H 111 52.793 39.796 67.365 1.00 68.92 C +ATOM 573 O LYS H 111 53.528 38.832 67.512 1.00 75.87 O +ATOM 574 CB LYS H 111 53.825 42.109 67.300 1.00 63.59 C +ATOM 575 CG LYS H 111 54.190 41.745 68.729 1.00 69.52 C +ATOM 576 CD LYS H 111 54.760 42.942 69.503 1.00 79.22 C +ATOM 577 CE LYS H 111 56.282 42.886 69.610 1.00 90.70 C +ATOM 578 NZ LYS H 111 56.973 43.110 68.291 1.00101.46 N +ATOM 579 N LYS H 112 51.605 39.872 67.942 1.00 65.39 N +ATOM 580 CA LYS H 112 51.057 38.754 68.690 1.00 63.86 C +ATOM 581 C LYS H 112 50.944 37.525 67.806 1.00 63.41 C +ATOM 582 O LYS H 112 51.332 36.449 68.223 1.00 68.62 O +ATOM 583 CB LYS H 112 49.690 39.118 69.277 1.00 54.94 C +ATOM 584 CG LYS H 112 49.149 38.136 70.295 1.00 45.69 C +ATOM 585 CD LYS H 112 50.218 37.801 71.315 1.00 56.08 C +ATOM 586 CE LYS H 112 49.685 36.902 72.418 1.00 55.73 C +ATOM 587 NZ LYS H 112 50.715 36.661 73.473 1.00 70.33 N +ATOM 588 N VAL H 113 50.424 37.665 66.592 1.00 83.63 N +ATOM 589 CA VAL H 113 50.298 36.498 65.725 1.00 81.46 C +ATOM 590 C VAL H 113 51.659 35.924 65.393 1.00113.27 C +ATOM 591 O VAL H 113 51.882 34.723 65.465 1.00119.14 O +ATOM 592 CB VAL H 113 49.594 36.802 64.393 1.00 55.13 C +ATOM 593 CG1 VAL H 113 49.707 35.609 63.484 1.00 54.69 C +ATOM 594 CG2 VAL H 113 48.114 37.117 64.606 1.00 21.94 C +ATOM 595 N GLU H 114 52.564 36.807 65.012 1.00 65.17 N +ATOM 596 CA GLU H 114 53.904 36.430 64.610 1.00 78.12 C +ATOM 597 C GLU H 114 54.538 35.589 65.717 1.00 77.43 C +ATOM 598 O GLU H 114 55.138 34.550 65.455 1.00 88.94 O +ATOM 599 CB GLU H 114 54.723 37.697 64.333 1.00105.06 C +ATOM 600 CG GLU H 114 55.928 37.493 63.432 1.00119.33 C +ATOM 601 CD GLU H 114 56.163 38.655 62.473 1.00122.19 C +ATOM 602 OE1 GLU H 114 55.406 39.651 62.526 1.00116.12 O +ATOM 603 OE2 GLU H 114 57.108 38.566 61.656 1.00126.27 O +ATOM 604 N GLU H 115 54.384 36.049 66.954 1.00 64.22 N +ATOM 605 CA GLU H 115 54.860 35.332 68.125 1.00 65.83 C +ATOM 606 C GLU H 115 54.274 33.928 68.155 1.00 69.31 C +ATOM 607 O GLU H 115 54.994 32.927 68.196 1.00 77.57 O +ATOM 608 CB GLU H 115 54.445 36.067 69.394 1.00 71.70 C +ATOM 609 CG GLU H 115 55.222 37.325 69.670 1.00 77.72 C +ATOM 610 CD GLU H 115 54.946 37.882 71.062 1.00 87.46 C +ATOM 611 OE1 GLU H 115 55.329 39.050 71.320 1.00 92.32 O +ATOM 612 OE2 GLU H 115 54.346 37.150 71.893 1.00 88.55 O +ATOM 613 N LEU H 116 52.952 33.879 68.131 1.00100.51 N +ATOM 614 CA LEU H 116 52.216 32.635 68.177 1.00 95.97 C +ATOM 615 C LEU H 116 52.532 31.703 67.021 1.00106.19 C +ATOM 616 O LEU H 116 52.447 30.492 67.161 1.00104.08 O +ATOM 617 CB LEU H 116 50.727 32.931 68.183 1.00 65.88 C +ATOM 618 CG LEU H 116 50.065 32.874 69.547 1.00 51.10 C +ATOM 619 CD1 LEU H 116 51.028 33.244 70.659 1.00 51.90 C +ATOM 620 CD2 LEU H 116 48.873 33.794 69.548 1.00 34.15 C +ATOM 621 N GLU H 117 52.873 32.260 65.869 1.00 74.67 N +ATOM 622 CA GLU H 117 53.131 31.422 64.712 1.00 83.17 C +ATOM 623 C GLU H 117 54.528 30.845 64.803 1.00 98.67 C +ATOM 624 O GLU H 117 54.827 29.800 64.226 1.00102.57 O +ATOM 625 CB GLU H 117 52.920 32.199 63.419 1.00110.33 C +ATOM 626 CG GLU H 117 51.476 32.191 62.980 1.00 86.02 C +ATOM 627 CD GLU H 117 51.203 33.062 61.757 1.00 89.65 C +ATOM 628 OE1 GLU H 117 52.042 33.940 61.427 1.00113.47 O +ATOM 629 OE2 GLU H 117 50.128 32.862 61.133 1.00 68.18 O +ATOM 630 N GLY H 118 55.370 31.532 65.562 1.00 67.52 N +ATOM 631 CA GLY H 118 56.732 31.104 65.783 1.00 77.54 C +ATOM 632 C GLY H 118 56.768 29.950 66.757 1.00 78.93 C +ATOM 633 O GLY H 118 57.545 29.008 66.582 1.00 90.66 O +ATOM 634 N GLU H 119 55.929 30.035 67.788 1.00 96.50 N +ATOM 635 CA GLU H 119 55.758 28.947 68.737 1.00 93.71 C +ATOM 636 C GLU H 119 55.259 27.701 68.008 1.00 95.91 C +ATOM 637 O GLU H 119 55.839 26.630 68.145 1.00101.26 O +ATOM 638 CB GLU H 119 54.789 29.339 69.861 1.00 90.17 C +ATOM 639 CG GLU H 119 55.367 30.286 70.917 1.00 91.69 C +ATOM 640 CD GLU H 119 54.448 30.478 72.146 1.00 89.29 C +ATOM 641 OE1 GLU H 119 53.752 29.510 72.560 1.00 87.97 O +ATOM 642 OE2 GLU H 119 54.442 31.603 72.709 1.00 92.34 O +ATOM 643 N ILE H 120 54.190 27.848 67.231 1.00 83.83 N +ATOM 644 CA ILE H 120 53.669 26.745 66.447 1.00 82.84 C +ATOM 645 C ILE H 120 54.740 26.137 65.558 1.00 98.40 C +ATOM 646 O ILE H 120 54.735 24.937 65.311 1.00101.30 O +ATOM 647 CB ILE H 120 52.514 27.174 65.550 1.00 71.30 C +ATOM 648 CG1 ILE H 120 51.203 27.261 66.334 1.00 49.69 C +ATOM 649 CG2 ILE H 120 52.333 26.185 64.418 1.00 70.78 C +ATOM 650 CD1 ILE H 120 50.308 28.458 65.866 1.00 30.23 C +ATOM 651 N THR H 121 55.653 26.962 65.057 1.00 68.24 N +ATOM 652 CA THR H 121 56.760 26.448 64.250 1.00 84.33 C +ATOM 653 C THR H 121 57.691 25.575 65.093 1.00 89.76 C +ATOM 654 O THR H 121 57.855 24.394 64.815 1.00 94.08 O +ATOM 655 CB THR H 121 57.542 27.567 63.549 1.00115.97 C +ATOM 656 OG1 THR H 121 56.882 27.892 62.321 1.00120.14 O +ATOM 657 CG2 THR H 121 58.949 27.107 63.238 1.00134.27 C +ATOM 658 N THR H 122 58.285 26.157 66.126 1.00 84.88 N +ATOM 659 CA THR H 122 59.065 25.385 67.081 1.00 92.70 C +ATOM 660 C THR H 122 58.378 24.047 67.374 1.00 85.66 C +ATOM 661 O THR H 122 58.910 22.986 67.042 1.00 94.52 O +ATOM 662 CB THR H 122 59.284 26.166 68.401 1.00 76.63 C +ATOM 663 OG1 THR H 122 60.103 27.318 68.154 1.00 84.73 O +ATOM 664 CG2 THR H 122 59.965 25.290 69.438 1.00 82.90 C +ATOM 665 N LEU H 123 57.189 24.102 67.974 1.00 74.97 N +ATOM 666 CA LEU H 123 56.458 22.903 68.380 1.00 66.53 C +ATOM 667 C LEU H 123 56.267 21.854 67.284 1.00 69.03 C +ATOM 668 O LEU H 123 56.480 20.672 67.538 1.00 71.62 O +ATOM 669 CB LEU H 123 55.096 23.264 68.979 1.00 67.40 C +ATOM 670 CG LEU H 123 55.074 23.859 70.385 1.00 63.33 C +ATOM 671 CD1 LEU H 123 53.805 24.631 70.587 1.00 50.71 C +ATOM 672 CD2 LEU H 123 55.210 22.797 71.459 1.00 63.67 C +ATOM 673 N ASN H 124 55.848 22.254 66.084 1.00 81.75 N +ATOM 674 CA ASN H 124 55.667 21.281 65.000 1.00 87.50 C +ATOM 675 C ASN H 124 56.960 20.567 64.659 1.00103.50 C +ATOM 676 O ASN H 124 56.951 19.404 64.271 1.00105.76 O +ATOM 677 CB ASN H 124 55.086 21.926 63.747 1.00 92.05 C +ATOM 678 CG ASN H 124 53.602 21.682 63.609 1.00 79.94 C +ATOM 679 OD1 ASN H 124 53.091 20.635 64.010 1.00 72.79 O +ATOM 680 ND2 ASN H 124 52.893 22.652 63.044 1.00 71.91 N +ATOM 681 N HIS H 125 58.073 21.277 64.803 1.00 80.05 N +ATOM 682 CA HIS H 125 59.373 20.684 64.579 1.00 98.63 C +ATOM 683 C HIS H 125 59.613 19.694 65.701 1.00 97.08 C +ATOM 684 O HIS H 125 59.661 18.491 65.464 1.00100.79 O +ATOM 685 CB HIS H 125 60.482 21.740 64.521 1.00136.17 C +ATOM 686 CG HIS H 125 61.850 21.171 64.284 1.00161.09 C +ATOM 687 ND1 HIS H 125 62.806 21.089 65.274 1.00175.05 N +ATOM 688 CD2 HIS H 125 62.417 20.646 63.171 1.00177.95 C +ATOM 689 CE1 HIS H 125 63.904 20.546 64.781 1.00194.72 C +ATOM 690 NE2 HIS H 125 63.695 20.265 63.508 1.00195.25 N +ATOM 691 N LYS H 126 59.728 20.179 66.931 1.00 86.32 N +ATOM 692 CA LYS H 126 60.040 19.265 68.026 1.00 86.58 C +ATOM 693 C LYS H 126 58.957 18.189 68.279 1.00 74.48 C +ATOM 694 O LYS H 126 59.198 17.221 68.994 1.00 78.22 O +ATOM 695 CB LYS H 126 60.452 20.011 69.304 1.00 94.79 C +ATOM 696 CG LYS H 126 59.317 20.609 70.093 1.00 90.60 C +ATOM 697 CD LYS H 126 59.832 21.256 71.377 1.00 88.20 C +ATOM 698 CE LYS H 126 60.770 22.408 71.098 1.00 95.78 C +ATOM 699 NZ LYS H 126 61.059 23.191 72.324 1.00 97.10 N +ATOM 700 N LEU H 127 57.791 18.337 67.666 1.00124.52 N +ATOM 701 CA LEU H 127 56.816 17.260 67.689 1.00116.23 C +ATOM 702 C LEU H 127 57.266 16.130 66.784 1.00126.41 C +ATOM 703 O LEU H 127 57.111 14.960 67.109 1.00125.12 O +ATOM 704 CB LEU H 127 55.451 17.742 67.218 1.00 66.70 C +ATOM 705 CG LEU H 127 54.441 16.596 67.135 1.00 56.00 C +ATOM 706 CD1 LEU H 127 54.360 15.867 68.490 1.00 50.73 C +ATOM 707 CD2 LEU H 127 53.048 17.060 66.703 1.00 46.18 C +ATOM 708 N GLN H 128 57.816 16.494 65.634 1.00 81.62 N +ATOM 709 CA GLN H 128 58.209 15.521 64.626 1.00 93.98 C +ATOM 710 C GLN H 128 59.503 14.842 65.047 1.00106.92 C +ATOM 711 O GLN H 128 59.699 13.656 64.787 1.00111.10 O +ATOM 712 CB GLN H 128 58.370 16.191 63.255 1.00126.23 C +ATOM 713 CG GLN H 128 59.756 16.753 62.988 1.00145.04 C +ATOM 714 CD GLN H 128 59.798 17.664 61.779 1.00158.15 C +ATOM 715 OE1 GLN H 128 58.768 17.947 61.167 1.00150.94 O +ATOM 716 NE2 GLN H 128 60.993 18.133 61.432 1.00175.39 N +ATOM 717 N ASP H 129 60.381 15.603 65.698 1.00 95.60 N +ATOM 718 CA ASP H 129 61.597 15.050 66.284 1.00110.67 C +ATOM 719 C ASP H 129 61.235 13.930 67.252 1.00103.27 C +ATOM 720 O ASP H 129 61.563 12.772 67.018 1.00109.18 O +ATOM 721 CB ASP H 129 62.404 16.130 67.010 1.00105.87 C +ATOM 722 CG ASP H 129 63.421 16.813 66.109 1.00124.19 C +ATOM 723 OD1 ASP H 129 63.394 16.582 64.879 1.00128.98 O +ATOM 724 OD2 ASP H 129 64.250 17.584 66.637 1.00134.57 O +ATOM 725 N ALA H 130 60.555 14.270 68.338 1.00109.31 N +ATOM 726 CA ALA H 130 60.064 13.242 69.238 1.00102.65 C +ATOM 727 C ALA H 130 59.281 12.170 68.474 1.00 96.27 C +ATOM 728 O ALA H 130 59.383 10.989 68.787 1.00 96.92 O +ATOM 729 CB ALA H 130 59.207 13.851 70.344 1.00 87.35 C +ATOM 730 N SER H 131 58.507 12.569 67.472 1.00135.32 N +ATOM 731 CA SER H 131 57.648 11.614 66.774 1.00130.02 C +ATOM 732 C SER H 131 58.438 10.541 66.022 1.00138.85 C +ATOM 733 O SER H 131 58.100 9.360 66.060 1.00136.94 O +ATOM 734 CB SER H 131 56.683 12.333 65.831 1.00100.12 C +ATOM 735 OG SER H 131 55.352 11.898 66.052 1.00 92.31 O +ATOM 736 N ALA H 132 59.493 10.956 65.338 1.00 98.75 N +ATOM 737 CA ALA H 132 60.368 10.014 64.649 1.00110.80 C +ATOM 738 C ALA H 132 61.092 9.116 65.653 1.00118.43 C +ATOM 739 O ALA H 132 61.206 7.910 65.453 1.00195.85 O +ATOM 740 CB ALA H 132 61.364 10.764 63.773 1.00 61.99 C +ATOM 741 N GLU H 133 61.581 9.718 66.731 1.00 94.95 N +ATOM 742 CA GLU H 133 62.191 8.972 67.821 1.00104.50 C +ATOM 743 C GLU H 133 61.264 7.868 68.327 1.00 92.75 C +ATOM 744 O GLU H 133 61.714 6.757 68.595 1.00100.70 O +ATOM 745 CB GLU H 133 62.567 9.913 68.968 1.00123.37 C +ATOM 746 CG GLU H 133 63.125 9.216 70.197 1.00129.04 C +ATOM 747 CD GLU H 133 64.635 9.141 70.189 1.00149.91 C +ATOM 748 OE1 GLU H 133 65.231 9.297 69.104 1.00158.62 O +ATOM 749 OE2 GLU H 133 65.226 8.930 71.268 1.00158.52 O +ATOM 750 N VAL H 134 59.975 8.168 68.466 1.00118.04 N +ATOM 751 CA VAL H 134 59.006 7.155 68.901 1.00106.89 C +ATOM 752 C VAL H 134 58.816 6.102 67.820 1.00107.00 C +ATOM 753 O VAL H 134 58.538 4.940 68.114 1.00102.60 O +ATOM 754 CB VAL H 134 57.610 7.761 69.270 1.00 80.06 C +ATOM 755 CG1 VAL H 134 56.482 6.720 69.115 1.00 68.97 C +ATOM 756 CG2 VAL H 134 57.615 8.348 70.677 1.00 79.66 C +ATOM 757 N GLU H 135 58.958 6.515 66.566 1.00121.47 N +ATOM 758 CA GLU H 135 58.797 5.594 65.453 1.00126.27 C +ATOM 759 C GLU H 135 59.981 4.635 65.377 1.00143.46 C +ATOM 760 O GLU H 135 59.808 3.427 65.229 1.00146.12 O +ATOM 761 CB GLU H 135 58.651 6.363 64.138 1.00148.31 C +ATOM 762 CG GLU H 135 58.371 5.485 62.931 1.00155.70 C +ATOM 763 CD GLU H 135 57.040 4.772 63.035 1.00145.39 C +ATOM 764 OE1 GLU H 135 56.270 5.090 63.972 1.00131.38 O +ATOM 765 OE2 GLU H 135 56.767 3.898 62.183 1.00150.72 O +ATOM 766 N ARG H 136 61.187 5.181 65.485 1.00133.45 N +ATOM 767 CA ARG H 136 62.387 4.362 65.466 1.00151.49 C +ATOM 768 C ARG H 136 62.389 3.384 66.634 1.00146.44 C +ATOM 769 O ARG H 136 62.680 2.207 66.461 1.00144.36 O +ATOM 770 CB ARG H 136 63.641 5.236 65.500 1.00187.81 C +ATOM 771 CG ARG H 136 64.934 4.451 65.584 1.00209.27 C +ATOM 772 CD ARG H 136 65.209 3.954 67.000 1.00223.20 C +ATOM 773 NE ARG H 136 65.528 5.019 67.949 1.00229.98 N +ATOM 774 CZ ARG H 136 66.124 6.166 67.636 1.00240.01 C +ATOM 775 NH1 ARG H 136 66.484 6.427 66.386 1.00244.07 N +ATOM 776 NH2 ARG H 136 66.369 7.057 68.583 1.00246.16 N +ATOM 777 N LEU H 137 62.069 3.861 67.829 1.00128.73 N +ATOM 778 CA LEU H 137 62.057 2.972 68.982 1.00125.51 C +ATOM 779 C LEU H 137 60.988 1.891 68.847 1.00111.00 C +ATOM 780 O LEU H 137 61.282 0.724 69.037 1.00115.87 O +ATOM 781 CB LEU H 137 61.901 3.750 70.294 1.00117.12 C +ATOM 782 CG LEU H 137 63.020 4.752 70.607 1.00133.86 C +ATOM 783 CD1 LEU H 137 62.785 5.432 71.951 1.00144.42 C +ATOM 784 CD2 LEU H 137 64.387 4.078 70.568 1.00143.96 C +ATOM 785 N ARG H 138 59.760 2.269 68.506 1.00158.31 N +ATOM 786 CA ARG H 138 58.660 1.307 68.430 1.00145.95 C +ATOM 787 C ARG H 138 59.126 -0.055 67.929 1.00154.19 C +ATOM 788 O ARG H 138 58.536 -1.084 68.255 1.00154.15 O +ATOM 789 CB ARG H 138 57.560 1.817 67.509 1.00169.95 C +ATOM 790 CG ARG H 138 57.813 1.443 66.060 1.00167.83 C +ATOM 791 CD ARG H 138 56.856 2.127 65.099 1.00163.39 C +ATOM 792 NE ARG H 138 55.574 1.438 64.997 1.00158.64 N +ATOM 793 CZ ARG H 138 54.817 1.431 63.904 1.00156.69 C +ATOM 794 NH1 ARG H 138 55.214 2.067 62.809 1.00160.26 N +ATOM 795 NH2 ARG H 138 53.663 0.778 63.905 1.00151.30 N +ATOM 796 N ARG H 139 60.514 0.761 65.583 1.00166.33 N +ATOM 797 CA ARG H 139 60.634 -0.550 64.961 1.00169.65 C +ATOM 798 C ARG H 139 61.572 -1.439 65.769 1.00174.01 C +ATOM 799 O ARG H 139 61.512 -2.662 65.675 1.00177.32 O +ATOM 800 CB ARG H 139 61.125 -0.412 63.527 1.00 88.26 C +ATOM 801 N GLU H 140 62.432 -0.814 66.567 1.00157.75 N +ATOM 802 CA GLU H 140 63.405 -1.546 67.370 1.00162.31 C +ATOM 803 C GLU H 140 62.736 -2.533 68.321 1.00161.30 C +ATOM 804 O GLU H 140 63.151 -3.689 68.416 1.00164.52 O +ATOM 805 CB GLU H 140 64.309 -0.585 68.145 1.00164.15 C +ATOM 806 CG GLU H 140 65.164 0.302 67.253 1.00165.34 C +ATOM 807 CD GLU H 140 66.345 0.904 67.990 1.00169.50 C +ATOM 808 OE1 GLU H 140 66.516 0.587 69.190 1.00171.66 O +ATOM 809 OE2 GLU H 140 67.101 1.686 67.367 1.00170.98 O +ATOM 810 N ASN H 141 61.697 -2.083 69.017 1.00152.71 N +ATOM 811 CA ASN H 141 60.987 -2.954 69.952 1.00151.38 C +ATOM 812 C ASN H 141 60.284 -4.158 69.302 1.00150.30 C +ATOM 813 O ASN H 141 60.193 -5.224 69.905 1.00150.15 O +ATOM 814 CB ASN H 141 60.024 -2.152 70.835 1.00147.80 C +ATOM 815 CG ASN H 141 60.623 -1.813 72.191 1.00150.11 C +ATOM 816 OD1 ASN H 141 59.976 -1.989 73.226 1.00151.49 O +ATOM 817 ND2 ASN H 141 61.871 -1.342 72.193 1.00150.99 N +ATOM 818 N GLN H 142 59.800 -3.994 68.074 1.00173.42 N +ATOM 819 CA GLN H 142 59.200 -5.110 67.342 1.00173.11 C +ATOM 820 C GLN H 142 60.259 -6.116 66.901 1.00177.40 C +ATOM 821 O GLN H 142 60.554 -7.076 67.610 1.00180.84 O +ATOM 822 CB GLN H 142 58.424 -4.605 66.138 1.00 93.30 C Added: SwiftApps/modFTdock/input/2yx8-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2yx8-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2yx8-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,650 @@ +ATOM 1 N CYS A 27 34.939 8.141 26.097 1.00 61.68 N +ATOM 2 CA CYS A 27 34.305 6.810 26.338 1.00 61.01 C +ATOM 3 C CYS A 27 33.741 6.231 25.060 1.00 63.98 C +ATOM 4 O CYS A 27 33.961 6.755 23.970 1.00 63.63 O +ATOM 5 CB CYS A 27 33.143 6.934 27.318 1.00 56.61 C +ATOM 6 SG CYS A 27 31.731 7.869 26.631 1.00 47.29 S +ATOM 7 N GLN A 28 32.991 5.146 25.218 1.00 68.75 N +ATOM 8 CA GLN A 28 32.334 4.496 24.093 1.00 73.22 C +ATOM 9 C GLN A 28 31.154 5.416 23.768 1.00 73.73 C +ATOM 10 O GLN A 28 29.987 5.038 23.890 1.00 74.54 O +ATOM 11 CB GLN A 28 31.838 3.108 24.503 1.00 76.68 C +ATOM 12 CG GLN A 28 32.920 2.234 25.123 1.00 81.48 C +ATOM 13 CD GLN A 28 32.964 0.839 24.522 1.00 83.09 C +ATOM 14 OE1 GLN A 28 33.062 0.683 23.303 1.00 82.96 O +ATOM 15 NE2 GLN A 28 32.899 -0.182 25.375 1.00 82.87 N +ATOM 16 N GLU A 29 31.495 6.635 23.364 1.00 73.82 N +ATOM 17 CA GLU A 29 30.542 7.687 23.040 1.00 74.65 C +ATOM 18 C GLU A 29 29.297 7.293 22.246 1.00 73.55 C +ATOM 19 O GLU A 29 28.207 7.799 22.514 1.00 73.38 O +ATOM 20 CB GLU A 29 31.287 8.820 22.329 1.00 78.09 C +ATOM 21 CG GLU A 29 32.308 9.529 23.224 1.00 83.97 C +ATOM 22 CD GLU A 29 33.163 10.541 22.473 1.00 86.41 C +ATOM 23 OE1 GLU A 29 32.589 11.398 21.769 1.00 88.80 O +ATOM 24 OE2 GLU A 29 34.407 10.485 22.591 1.00 87.12 O +ATOM 25 N ALA A 30 29.446 6.399 21.275 1.00 72.70 N +ATOM 26 CA ALA A 30 28.304 5.975 20.464 1.00 69.70 C +ATOM 27 C ALA A 30 27.272 5.200 21.278 1.00 66.91 C +ATOM 28 O ALA A 30 26.109 5.609 21.376 1.00 67.16 O +ATOM 29 CB ALA A 30 28.779 5.120 19.294 1.00 72.24 C +ATOM 30 N ASN A 31 27.706 4.077 21.850 1.00 62.40 N +ATOM 31 CA ASN A 31 26.826 3.225 22.638 1.00 58.76 C +ATOM 32 C ASN A 31 26.400 3.890 23.938 1.00 54.31 C +ATOM 33 O ASN A 31 25.533 3.387 24.647 1.00 53.67 O +ATOM 34 CB ASN A 31 27.498 1.871 22.908 1.00 62.27 C +ATOM 35 CG ASN A 31 28.342 1.867 24.167 1.00 65.87 C +ATOM 36 OD1 ASN A 31 29.248 2.679 24.316 1.00 66.87 O +ATOM 37 ND2 ASN A 31 28.048 0.938 25.081 1.00 65.53 N +ATOM 38 N TYR A 32 27.019 5.019 24.257 1.00 48.72 N +ATOM 39 CA TYR A 32 26.645 5.753 25.454 1.00 43.67 C +ATOM 40 C TYR A 32 25.280 6.377 25.157 1.00 43.16 C +ATOM 41 O TYR A 32 24.404 6.439 26.021 1.00 42.14 O +ATOM 42 CB TYR A 32 27.672 6.847 25.766 1.00 38.47 C +ATOM 43 CG TYR A 32 27.198 7.842 26.800 1.00 35.36 C +ATOM 44 CD1 TYR A 32 26.894 7.436 28.099 1.00 34.21 C +ATOM 45 CD2 TYR A 32 27.031 9.188 26.475 1.00 31.93 C +ATOM 46 CE1 TYR A 32 26.436 8.340 29.050 1.00 30.55 C +ATOM 47 CE2 TYR A 32 26.569 10.103 27.425 1.00 31.91 C +ATOM 48 CZ TYR A 32 26.277 9.668 28.709 1.00 31.49 C +ATOM 49 OH TYR A 32 25.840 10.559 29.662 1.00 35.30 O +ATOM 50 N GLY A 33 25.110 6.827 23.917 1.00 43.03 N +ATOM 51 CA GLY A 33 23.855 7.428 23.503 1.00 42.48 C +ATOM 52 C GLY A 33 22.719 6.422 23.438 1.00 40.90 C +ATOM 53 O GLY A 33 21.588 6.726 23.812 1.00 40.66 O +ATOM 54 N ALA A 34 23.012 5.220 22.958 1.00 40.45 N +ATOM 55 CA ALA A 34 21.994 4.180 22.871 1.00 40.50 C +ATOM 56 C ALA A 34 21.534 3.866 24.291 1.00 39.69 C +ATOM 57 O ALA A 34 20.335 3.799 24.584 1.00 39.44 O +ATOM 58 CB ALA A 34 22.575 2.933 22.219 1.00 39.00 C +ATOM 59 N LEU A 35 22.517 3.694 25.167 1.00 38.14 N +ATOM 60 CA LEU A 35 22.297 3.382 26.570 1.00 37.24 C +ATOM 61 C LEU A 35 21.422 4.441 27.246 1.00 37.18 C +ATOM 62 O LEU A 35 20.601 4.128 28.108 1.00 38.96 O +ATOM 63 CB LEU A 35 23.654 3.287 27.267 1.00 35.44 C +ATOM 64 CG LEU A 35 23.757 2.487 28.560 1.00 39.69 C +ATOM 65 CD1 LEU A 35 23.143 1.101 28.370 1.00 39.38 C +ATOM 66 CD2 LEU A 35 25.225 2.374 28.954 1.00 39.30 C +ATOM 67 N LEU A 36 21.598 5.694 26.842 1.00 36.41 N +ATOM 68 CA LEU A 36 20.832 6.803 27.398 1.00 33.78 C +ATOM 69 C LEU A 36 19.352 6.706 27.052 1.00 33.47 C +ATOM 70 O LEU A 36 18.500 7.067 27.852 1.00 33.79 O +ATOM 71 CB LEU A 36 21.392 8.131 26.872 1.00 32.30 C +ATOM 72 CG LEU A 36 22.130 9.090 27.814 1.00 30.60 C +ATOM 73 CD1 LEU A 36 22.969 8.328 28.830 1.00 30.80 C +ATOM 74 CD2 LEU A 36 22.993 10.024 26.973 1.00 29.11 C +ATOM 75 N ARG A 37 19.041 6.220 25.858 1.00 35.38 N +ATOM 76 CA ARG A 37 17.649 6.121 25.444 1.00 39.37 C +ATOM 77 C ARG A 37 17.044 4.792 25.866 1.00 40.04 C +ATOM 78 O ARG A 37 15.900 4.732 26.323 1.00 40.22 O +ATOM 79 CB ARG A 37 17.537 6.301 23.923 1.00 39.85 C +ATOM 80 CG ARG A 37 18.256 7.550 23.418 1.00 46.81 C +ATOM 81 CD ARG A 37 17.998 7.868 21.948 1.00 50.83 C +ATOM 82 NE ARG A 37 16.738 8.579 21.724 1.00 55.62 N +ATOM 83 CZ ARG A 37 15.542 7.997 21.661 1.00 57.85 C +ATOM 84 NH1 ARG A 37 15.433 6.682 21.803 1.00 58.33 N +ATOM 85 NH2 ARG A 37 14.453 8.727 21.450 1.00 57.99 N +ATOM 86 N GLU A 38 17.829 3.732 25.727 1.00 39.83 N +ATOM 87 CA GLU A 38 17.382 2.393 26.069 1.00 41.11 C +ATOM 88 C GLU A 38 17.141 2.190 27.555 1.00 40.95 C +ATOM 89 O GLU A 38 16.219 1.472 27.949 1.00 41.87 O +ATOM 90 CB GLU A 38 18.403 1.373 25.569 1.00 43.11 C +ATOM 91 CG GLU A 38 18.331 1.107 24.070 1.00 46.93 C +ATOM 92 CD GLU A 38 19.643 0.588 23.514 1.00 51.67 C +ATOM 93 OE1 GLU A 38 20.427 -0.005 24.293 1.00 53.31 O +ATOM 94 OE2 GLU A 38 19.888 0.766 22.300 1.00 52.27 O +ATOM 95 N LEU A 39 17.957 2.833 28.380 1.00 39.81 N +ATOM 96 CA LEU A 39 17.839 2.682 29.820 1.00 38.54 C +ATOM 97 C LEU A 39 17.211 3.883 30.522 1.00 38.53 C +ATOM 98 O LEU A 39 16.128 3.783 31.090 1.00 40.83 O +ATOM 99 CB LEU A 39 19.221 2.415 30.409 1.00 38.80 C +ATOM 100 CG LEU A 39 19.384 1.401 31.545 1.00 41.69 C +ATOM 101 CD1 LEU A 39 20.149 2.081 32.666 1.00 40.25 C +ATOM 102 CD2 LEU A 39 18.034 0.874 32.033 1.00 40.09 C +ATOM 103 N CYS A 40 17.895 5.019 30.476 1.00 37.31 N +ATOM 104 CA CYS A 40 17.426 6.236 31.131 1.00 36.07 C +ATOM 105 C CYS A 40 16.124 6.828 30.600 1.00 35.46 C +ATOM 106 O CYS A 40 15.206 7.106 31.366 1.00 34.28 O +ATOM 107 CB CYS A 40 18.507 7.312 31.053 1.00 35.54 C +ATOM 108 SG CYS A 40 20.105 6.835 31.775 1.00 37.77 S +ATOM 109 N LEU A 41 16.055 7.034 29.290 1.00 34.46 N +ATOM 110 CA LEU A 41 14.878 7.633 28.672 1.00 33.90 C +ATOM 111 C LEU A 41 13.609 6.814 28.866 1.00 34.43 C +ATOM 112 O LEU A 41 12.554 7.362 29.187 1.00 33.76 O +ATOM 113 CB LEU A 41 15.128 7.864 27.174 1.00 31.47 C +ATOM 114 CG LEU A 41 14.047 8.641 26.416 1.00 29.03 C +ATOM 115 CD1 LEU A 41 13.811 9.975 27.102 1.00 28.18 C +ATOM 116 CD2 LEU A 41 14.468 8.850 24.969 1.00 26.16 C +ATOM 117 N THR A 42 13.714 5.503 28.677 1.00 35.03 N +ATOM 118 CA THR A 42 12.563 4.618 28.821 1.00 36.27 C +ATOM 119 C THR A 42 11.867 4.743 30.183 1.00 38.01 C +ATOM 120 O THR A 42 10.633 4.854 30.254 1.00 37.47 O +ATOM 121 CB THR A 42 12.972 3.153 28.593 1.00 35.39 C +ATOM 122 OG1 THR A 42 14.069 2.824 29.453 1.00 36.57 O +ATOM 123 CG2 THR A 42 13.384 2.940 27.146 1.00 33.96 C +ATOM 124 N GLN A 43 12.655 4.733 31.257 1.00 36.57 N +ATOM 125 CA GLN A 43 12.102 4.843 32.598 1.00 36.73 C +ATOM 126 C GLN A 43 11.420 6.188 32.799 1.00 36.00 C +ATOM 127 O GLN A 43 10.355 6.276 33.414 1.00 34.91 O +ATOM 128 CB GLN A 43 13.206 4.665 33.639 1.00 40.23 C +ATOM 129 CG GLN A 43 12.745 4.895 35.081 1.00 47.46 C +ATOM 130 CD GLN A 43 11.503 4.100 35.438 1.00 49.65 C +ATOM 131 OE1 GLN A 43 11.472 2.880 35.289 1.00 53.05 O +ATOM 132 NE2 GLN A 43 10.472 4.791 35.916 1.00 50.49 N +ATOM 133 N PHE A 44 12.049 7.235 32.276 1.00 34.72 N +ATOM 134 CA PHE A 44 11.527 8.592 32.380 1.00 33.08 C +ATOM 135 C PHE A 44 10.185 8.716 31.641 1.00 34.45 C +ATOM 136 O PHE A 44 9.305 9.483 32.049 1.00 32.48 O +ATOM 137 CB PHE A 44 12.556 9.564 31.792 1.00 27.88 C +ATOM 138 CG PHE A 44 12.077 10.986 31.693 1.00 24.19 C +ATOM 139 CD1 PHE A 44 11.945 11.775 32.833 1.00 24.60 C +ATOM 140 CD2 PHE A 44 11.772 11.540 30.453 1.00 20.52 C +ATOM 141 CE1 PHE A 44 11.524 13.099 32.738 1.00 22.21 C +ATOM 142 CE2 PHE A 44 11.349 12.863 30.344 1.00 20.25 C +ATOM 143 CZ PHE A 44 11.224 13.644 31.489 1.00 23.05 C +ATOM 144 N GLN A 45 10.038 7.951 30.560 1.00 34.96 N +ATOM 145 CA GLN A 45 8.821 7.970 29.751 1.00 37.01 C +ATOM 146 C GLN A 45 7.637 7.338 30.471 1.00 36.53 C +ATOM 147 O GLN A 45 6.513 7.822 30.368 1.00 34.44 O +ATOM 148 CB GLN A 45 9.064 7.264 28.413 1.00 34.39 C +ATOM 149 CG GLN A 45 10.175 7.904 27.612 1.00 35.11 C +ATOM 150 CD GLN A 45 10.335 7.300 26.235 1.00 36.30 C +ATOM 151 OE1 GLN A 45 10.399 6.085 26.082 1.00 37.87 O +ATOM 152 NE2 GLN A 45 10.416 8.154 25.222 1.00 36.47 N +ATOM 153 N VAL A 46 7.889 6.252 31.191 1.00 39.79 N +ATOM 154 CA VAL A 46 6.824 5.600 31.938 1.00 42.19 C +ATOM 155 C VAL A 46 6.309 6.580 32.989 1.00 43.86 C +ATOM 156 O VAL A 46 5.112 6.859 33.056 1.00 44.77 O +ATOM 157 CB VAL A 46 7.328 4.331 32.639 1.00 42.37 C +ATOM 158 CG1 VAL A 46 6.258 3.799 33.578 1.00 43.37 C +ATOM 159 CG2 VAL A 46 7.688 3.281 31.603 1.00 41.25 C +ATOM 160 N ASP A 47 7.218 7.107 33.803 1.00 45.11 N +ATOM 161 CA ASP A 47 6.831 8.060 34.832 1.00 46.09 C +ATOM 162 C ASP A 47 6.089 9.233 34.196 1.00 45.89 C +ATOM 163 O ASP A 47 5.001 9.600 34.633 1.00 47.38 O +ATOM 164 CB ASP A 47 8.059 8.592 35.581 1.00 49.41 C +ATOM 165 CG ASP A 47 8.942 7.485 36.127 1.00 51.81 C +ATOM 166 OD1 ASP A 47 8.414 6.546 36.757 1.00 54.40 O +ATOM 167 OD2 ASP A 47 10.174 7.560 35.935 1.00 54.62 O +ATOM 176 N GLU A 49 4.548 9.390 31.429 1.00 45.27 N +ATOM 177 CA GLU A 49 3.299 8.935 30.844 1.00 45.20 C +ATOM 178 C GLU A 49 2.228 8.940 31.925 1.00 43.31 C +ATOM 179 O GLU A 49 1.090 9.334 31.683 1.00 43.03 O +ATOM 180 CB GLU A 49 3.474 7.525 30.281 1.00 49.20 C +ATOM 181 CG GLU A 49 2.377 7.071 29.342 1.00 55.98 C +ATOM 182 CD GLU A 49 2.212 8.001 28.151 1.00 61.73 C +ATOM 183 OE1 GLU A 49 3.239 8.387 27.549 1.00 62.44 O +ATOM 184 OE2 GLU A 49 1.054 8.341 27.814 1.00 65.19 O +ATOM 185 N ALA A 50 2.607 8.518 33.126 1.00 40.78 N +ATOM 186 CA ALA A 50 1.679 8.467 34.250 1.00 39.72 C +ATOM 187 C ALA A 50 1.234 9.855 34.733 1.00 39.94 C +ATOM 188 O ALA A 50 0.140 10.010 35.277 1.00 39.98 O +ATOM 189 CB ALA A 50 2.310 7.698 35.394 1.00 36.92 C +ATOM 190 N VAL A 51 2.080 10.861 34.541 1.00 38.53 N +ATOM 191 CA VAL A 51 1.750 12.215 34.972 1.00 37.20 C +ATOM 192 C VAL A 51 0.674 12.863 34.096 1.00 36.15 C +ATOM 193 O VAL A 51 -0.322 13.383 34.602 1.00 36.87 O +ATOM 194 CB VAL A 51 3.010 13.113 34.970 1.00 37.12 C +ATOM 195 CG1 VAL A 51 2.634 14.568 35.194 1.00 32.68 C +ATOM 196 CG2 VAL A 51 3.968 12.646 36.048 1.00 36.59 C +ATOM 197 N GLY A 52 0.883 12.822 32.785 1.00 35.75 N +ATOM 198 CA GLY A 52 -0.058 13.421 31.859 1.00 33.78 C +ATOM 199 C GLY A 52 0.644 14.533 31.104 1.00 34.05 C +ATOM 200 O GLY A 52 1.218 15.433 31.713 1.00 35.56 O +ATOM 201 N GLU A 53 0.591 14.491 29.779 1.00 34.55 N +ATOM 202 CA GLU A 53 1.259 15.498 28.973 1.00 34.19 C +ATOM 203 C GLU A 53 0.996 16.938 29.384 1.00 34.36 C +ATOM 204 O GLU A 53 1.932 17.724 29.518 1.00 35.03 O +ATOM 205 CB GLU A 53 0.900 15.326 27.505 1.00 36.39 C +ATOM 206 CG GLU A 53 1.625 16.316 26.624 1.00 42.76 C +ATOM 207 CD GLU A 53 1.746 15.851 25.194 1.00 45.62 C +ATOM 208 OE1 GLU A 53 1.892 14.629 24.976 1.00 46.36 O +ATOM 209 OE2 GLU A 53 1.714 16.714 24.293 1.00 49.56 O +ATOM 210 N THR A 54 -0.273 17.282 29.586 1.00 34.29 N +ATOM 211 CA THR A 54 -0.656 18.643 29.963 1.00 30.40 C +ATOM 212 C THR A 54 -0.251 19.063 31.376 1.00 30.04 C +ATOM 213 O THR A 54 -0.488 20.202 31.777 1.00 31.95 O +ATOM 214 CB THR A 54 -2.171 18.853 29.804 1.00 28.35 C +ATOM 215 OG1 THR A 54 -2.870 17.845 30.540 1.00 30.01 O +ATOM 216 CG2 THR A 54 -2.566 18.777 28.352 1.00 23.37 C +ATOM 217 N LEU A 55 0.346 18.150 32.134 1.00 28.91 N +ATOM 218 CA LEU A 55 0.799 18.475 33.483 1.00 28.23 C +ATOM 219 C LEU A 55 2.331 18.333 33.597 1.00 29.07 C +ATOM 220 O LEU A 55 2.891 18.400 34.693 1.00 29.10 O +ATOM 221 CB LEU A 55 0.103 17.573 34.517 1.00 26.75 C +ATOM 222 CG LEU A 55 -1.397 17.792 34.791 1.00 29.57 C +ATOM 223 CD1 LEU A 55 -1.863 16.825 35.886 1.00 29.23 C +ATOM 224 CD2 LEU A 55 -1.666 19.237 35.220 1.00 26.11 C +ATOM 225 N TRP A 56 3.009 18.154 32.465 1.00 27.34 N +ATOM 226 CA TRP A 56 4.460 17.994 32.475 1.00 26.32 C +ATOM 227 C TRP A 56 5.227 19.235 32.919 1.00 26.75 C +ATOM 228 O TRP A 56 6.362 19.137 33.387 1.00 28.13 O +ATOM 229 CB TRP A 56 4.971 17.571 31.098 1.00 24.03 C +ATOM 230 CG TRP A 56 4.667 16.155 30.730 1.00 23.65 C +ATOM 231 CD1 TRP A 56 4.307 15.141 31.573 1.00 22.47 C +ATOM 232 CD2 TRP A 56 4.747 15.581 29.419 1.00 23.84 C +ATOM 233 NE1 TRP A 56 4.161 13.968 30.867 1.00 25.19 N +ATOM 234 CE2 TRP A 56 4.427 14.209 29.544 1.00 21.95 C +ATOM 235 CE3 TRP A 56 5.064 16.091 28.151 1.00 24.10 C +ATOM 236 CZ2 TRP A 56 4.409 13.343 28.450 1.00 20.97 C +ATOM 237 CZ3 TRP A 56 5.047 15.229 27.061 1.00 22.85 C +ATOM 238 CH2 TRP A 56 4.723 13.867 27.220 1.00 22.20 C +ATOM 239 N CYS A 57 4.612 20.401 32.766 1.00 26.22 N +ATOM 240 CA CYS A 57 5.258 21.644 33.152 1.00 23.92 C +ATOM 241 C CYS A 57 5.133 21.923 34.650 1.00 25.12 C +ATOM 242 O CYS A 57 5.669 22.911 35.150 1.00 23.17 O +ATOM 243 CB CYS A 57 4.679 22.803 32.342 1.00 21.59 C +ATOM 244 SG CYS A 57 5.385 23.001 30.665 1.00 27.97 S +ATOM 245 N ASP A 58 4.422 21.051 35.362 1.00 26.35 N +ATOM 246 CA ASP A 58 4.251 21.201 36.805 1.00 27.93 C +ATOM 247 C ASP A 58 5.391 20.470 37.500 1.00 28.05 C +ATOM 248 O ASP A 58 5.324 19.258 37.719 1.00 27.70 O +ATOM 249 CB ASP A 58 2.903 20.624 37.252 1.00 29.57 C +ATOM 250 CG ASP A 58 2.694 20.722 38.754 1.00 30.94 C +ATOM 251 OD1 ASP A 58 3.232 21.667 39.365 1.00 33.12 O +ATOM 252 OD2 ASP A 58 1.981 19.866 39.328 1.00 34.06 O +ATOM 253 N TRP A 59 6.436 21.221 37.837 1.00 28.53 N +ATOM 254 CA TRP A 59 7.624 20.677 38.483 1.00 27.00 C +ATOM 255 C TRP A 59 7.311 19.901 39.750 1.00 28.60 C +ATOM 256 O TRP A 59 8.035 18.975 40.112 1.00 27.85 O +ATOM 257 CB TRP A 59 8.608 21.808 38.770 1.00 26.34 C +ATOM 258 CG TRP A 59 9.034 22.516 37.502 1.00 28.03 C +ATOM 259 CD1 TRP A 59 8.821 23.829 37.177 1.00 25.95 C +ATOM 260 CD2 TRP A 59 9.694 21.927 36.369 1.00 26.99 C +ATOM 261 NE1 TRP A 59 9.306 24.090 35.913 1.00 27.15 N +ATOM 262 CE2 TRP A 59 9.845 22.942 35.396 1.00 25.59 C +ATOM 263 CE3 TRP A 59 10.172 20.640 36.084 1.00 27.98 C +ATOM 264 CZ2 TRP A 59 10.451 22.709 34.159 1.00 27.19 C +ATOM 265 CZ3 TRP A 59 10.778 20.409 34.848 1.00 28.14 C +ATOM 266 CH2 TRP A 59 10.910 21.440 33.902 1.00 25.38 C +ATOM 267 N GLY A 60 6.219 20.265 40.412 1.00 29.82 N +ATOM 268 CA GLY A 60 5.840 19.570 41.625 1.00 30.33 C +ATOM 269 C GLY A 60 5.484 18.128 41.327 1.00 30.98 C +ATOM 270 O GLY A 60 5.463 17.284 42.216 1.00 33.06 O +ATOM 271 N ARG A 61 5.210 17.842 40.062 1.00 30.98 N +ATOM 272 CA ARG A 61 4.836 16.499 39.659 1.00 29.21 C +ATOM 273 C ARG A 61 5.918 15.798 38.863 1.00 29.96 C +ATOM 274 O ARG A 61 6.028 14.574 38.889 1.00 30.63 O +ATOM 275 CB ARG A 61 3.563 16.555 38.824 1.00 27.92 C +ATOM 276 CG ARG A 61 2.301 16.670 39.641 1.00 31.34 C +ATOM 277 CD ARG A 61 1.095 16.880 38.749 1.00 34.94 C +ATOM 278 NE ARG A 61 -0.152 16.712 39.486 1.00 37.13 N +ATOM 279 CZ ARG A 61 -1.220 17.482 39.327 1.00 40.10 C +ATOM 280 NH1 ARG A 61 -1.191 18.481 38.458 1.00 45.27 N +ATOM 281 NH2 ARG A 61 -2.320 17.253 40.030 1.00 41.79 N +ATOM 282 N THR A 62 6.734 16.582 38.176 1.00 29.91 N +ATOM 283 CA THR A 62 7.771 16.022 37.326 1.00 29.48 C +ATOM 284 C THR A 62 9.213 16.172 37.794 1.00 30.21 C +ATOM 285 O THR A 62 10.107 15.569 37.197 1.00 30.91 O +ATOM 286 CB THR A 62 7.664 16.624 35.917 1.00 27.97 C +ATOM 287 OG1 THR A 62 7.805 18.046 36.000 1.00 30.88 O +ATOM 288 CG2 THR A 62 6.309 16.313 35.311 1.00 27.25 C +ATOM 289 N ILE A 63 9.450 16.945 38.853 1.00 30.42 N +ATOM 290 CA ILE A 63 10.818 17.153 39.318 1.00 31.02 C +ATOM 291 C ILE A 63 11.530 15.854 39.713 1.00 32.74 C +ATOM 292 O ILE A 63 12.684 15.633 39.329 1.00 32.74 O +ATOM 293 CB ILE A 63 10.883 18.199 40.474 1.00 30.76 C +ATOM 294 CG1 ILE A 63 12.302 18.758 40.568 1.00 32.80 C +ATOM 295 CG2 ILE A 63 10.479 17.589 41.804 1.00 30.03 C +ATOM 296 CD1 ILE A 63 12.770 19.436 39.277 1.00 33.15 C +ATOM 297 N ARG A 64 10.844 14.986 40.449 1.00 32.60 N +ATOM 298 CA ARG A 64 11.441 13.720 40.844 1.00 33.71 C +ATOM 299 C ARG A 64 11.958 13.005 39.597 1.00 35.19 C +ATOM 300 O ARG A 64 13.125 12.615 39.525 1.00 37.11 O +ATOM 301 CB ARG A 64 10.412 12.824 41.532 1.00 33.72 C +ATOM 302 CG ARG A 64 10.990 11.503 42.016 1.00 35.07 C +ATOM 303 CD ARG A 64 9.913 10.510 42.381 1.00 39.52 C +ATOM 304 NE ARG A 64 9.240 10.007 41.189 1.00 50.07 N +ATOM 305 CZ ARG A 64 9.835 9.280 40.245 1.00 52.90 C +ATOM 306 NH1 ARG A 64 11.121 8.962 40.354 1.00 55.61 N +ATOM 307 NH2 ARG A 64 9.148 8.875 39.184 1.00 53.61 N +ATOM 308 N SER A 65 11.074 12.836 38.618 1.00 34.97 N +ATOM 309 CA SER A 65 11.416 12.164 37.372 1.00 32.43 C +ATOM 310 C SER A 65 12.553 12.832 36.621 1.00 31.87 C +ATOM 311 O SER A 65 13.375 12.152 36.017 1.00 31.71 O +ATOM 312 CB SER A 65 10.192 12.085 36.464 1.00 32.32 C +ATOM 313 OG SER A 65 9.260 11.144 36.954 1.00 33.68 O +ATOM 314 N TYR A 66 12.592 14.160 36.646 1.00 32.84 N +ATOM 315 CA TYR A 66 13.646 14.895 35.950 1.00 34.80 C +ATOM 316 C TYR A 66 14.989 14.614 36.624 1.00 34.36 C +ATOM 317 O TYR A 66 16.004 14.425 35.951 1.00 33.94 O +ATOM 318 CB TYR A 66 13.361 16.403 35.973 1.00 34.27 C +ATOM 319 CG TYR A 66 14.295 17.221 35.097 1.00 33.30 C +ATOM 320 CD1 TYR A 66 14.047 17.379 33.730 1.00 34.81 C +ATOM 321 CD2 TYR A 66 15.428 17.833 35.630 1.00 33.79 C +ATOM 322 CE1 TYR A 66 14.903 18.128 32.916 1.00 32.03 C +ATOM 323 CE2 TYR A 66 16.291 18.582 34.827 1.00 31.91 C +ATOM 324 CZ TYR A 66 16.022 18.724 33.474 1.00 33.10 C +ATOM 325 OH TYR A 66 16.874 19.460 32.684 1.00 35.42 O +ATOM 326 N ARG A 67 14.971 14.598 37.955 1.00 33.70 N +ATOM 327 CA ARG A 67 16.150 14.330 38.769 1.00 34.26 C +ATOM 328 C ARG A 67 16.646 12.909 38.507 1.00 33.37 C +ATOM 329 O ARG A 67 17.847 12.668 38.391 1.00 33.14 O +ATOM 330 CB ARG A 67 15.792 14.495 40.251 1.00 37.11 C +ATOM 331 CG ARG A 67 16.848 14.023 41.260 1.00 42.58 C +ATOM 332 CD ARG A 67 18.043 14.966 41.338 1.00 46.46 C +ATOM 333 NE ARG A 67 18.849 14.752 42.543 1.00 49.87 N +ATOM 334 CZ ARG A 67 18.428 14.966 43.789 1.00 52.99 C +ATOM 335 NH1 ARG A 67 17.191 15.405 44.017 1.00 49.16 N +ATOM 336 NH2 ARG A 67 19.256 14.755 44.809 1.00 52.77 N +ATOM 337 N GLU A 68 15.717 11.968 38.405 1.00 33.46 N +ATOM 338 CA GLU A 68 16.073 10.575 38.159 1.00 34.22 C +ATOM 339 C GLU A 68 16.745 10.397 36.802 1.00 32.00 C +ATOM 340 O GLU A 68 17.732 9.668 36.680 1.00 30.27 O +ATOM 341 CB GLU A 68 14.827 9.696 38.226 1.00 39.18 C +ATOM 342 CG GLU A 68 15.060 8.416 38.988 1.00 49.13 C +ATOM 343 CD GLU A 68 15.611 8.684 40.379 1.00 54.52 C +ATOM 344 OE1 GLU A 68 14.925 9.375 41.174 1.00 54.71 O +ATOM 345 OE2 GLU A 68 16.733 8.208 40.670 1.00 55.55 O +ATOM 346 N LEU A 69 16.195 11.059 35.786 1.00 29.79 N +ATOM 347 CA LEU A 69 16.736 10.990 34.436 1.00 29.75 C +ATOM 348 C LEU A 69 18.176 11.517 34.411 1.00 30.39 C +ATOM 349 O LEU A 69 19.072 10.879 33.856 1.00 32.28 O +ATOM 350 CB LEU A 69 15.866 11.816 33.482 1.00 28.20 C +ATOM 351 CG LEU A 69 16.307 11.866 32.011 1.00 29.81 C +ATOM 352 CD1 LEU A 69 16.115 10.495 31.366 1.00 27.29 C +ATOM 353 CD2 LEU A 69 15.504 12.921 31.260 1.00 27.06 C +ATOM 354 N ALA A 70 18.385 12.684 35.017 1.00 29.88 N +ATOM 355 CA ALA A 70 19.700 13.312 35.074 1.00 29.81 C +ATOM 356 C ALA A 70 20.706 12.431 35.806 1.00 31.84 C +ATOM 357 O ALA A 70 21.840 12.277 35.349 1.00 33.76 O +ATOM 358 CB ALA A 70 19.602 14.668 35.751 1.00 26.06 C +ATOM 359 N ASP A 71 20.302 11.854 36.936 1.00 33.02 N +ATOM 360 CA ASP A 71 21.200 10.977 37.690 1.00 36.00 C +ATOM 361 C ASP A 71 21.595 9.787 36.824 1.00 35.55 C +ATOM 362 O ASP A 71 22.744 9.346 36.830 1.00 36.24 O +ATOM 363 CB ASP A 71 20.535 10.459 38.974 1.00 37.02 C +ATOM 364 CG ASP A 71 20.329 11.549 40.015 1.00 43.06 C +ATOM 365 OD1 ASP A 71 20.958 12.625 39.893 1.00 44.38 O +ATOM 366 OD2 ASP A 71 19.545 11.324 40.966 1.00 45.29 O +ATOM 367 N CYS A 72 20.629 9.277 36.074 1.00 33.94 N +ATOM 368 CA CYS A 72 20.861 8.138 35.203 1.00 35.04 C +ATOM 369 C CYS A 72 21.861 8.458 34.087 1.00 33.88 C +ATOM 370 O CYS A 72 22.756 7.661 33.797 1.00 34.37 O +ATOM 371 CB CYS A 72 19.527 7.678 34.612 1.00 35.52 C +ATOM 372 SG CYS A 72 19.586 6.159 33.616 1.00 40.36 S +ATOM 373 N THR A 73 21.718 9.617 33.457 1.00 31.50 N +ATOM 374 CA THR A 73 22.644 9.975 32.396 1.00 30.42 C +ATOM 375 C THR A 73 24.029 10.169 33.008 1.00 32.41 C +ATOM 376 O THR A 73 25.049 9.887 32.372 1.00 33.89 O +ATOM 377 CB THR A 73 22.217 11.274 31.689 1.00 29.13 C +ATOM 378 OG1 THR A 73 22.301 12.374 32.606 1.00 26.91 O +ATOM 379 CG2 THR A 73 20.790 11.144 31.168 1.00 28.39 C +ATOM 380 N TRP A 74 24.053 10.651 34.250 1.00 33.13 N +ATOM 381 CA TRP A 74 25.298 10.888 34.975 1.00 35.79 C +ATOM 382 C TRP A 74 25.939 9.560 35.365 1.00 37.09 C +ATOM 383 O TRP A 74 27.135 9.350 35.140 1.00 35.95 O +ATOM 384 CB TRP A 74 25.019 11.753 36.209 1.00 36.68 C +ATOM 385 CG TRP A 74 26.029 11.636 37.309 1.00 39.49 C +ATOM 386 CD1 TRP A 74 25.844 11.047 38.527 1.00 38.45 C +ATOM 387 CD2 TRP A 74 27.383 12.109 37.294 1.00 40.16 C +ATOM 388 NE1 TRP A 74 26.993 11.123 39.271 1.00 39.47 N +ATOM 389 CE2 TRP A 74 27.954 11.770 38.541 1.00 40.31 C +ATOM 390 CE3 TRP A 74 28.168 12.785 36.350 1.00 41.81 C +ATOM 391 CZ2 TRP A 74 29.279 12.084 38.868 1.00 40.48 C +ATOM 392 CZ3 TRP A 74 29.489 13.098 36.677 1.00 40.58 C +ATOM 393 CH2 TRP A 74 30.028 12.746 37.927 1.00 41.84 C +ATOM 394 N HIS A 75 25.140 8.660 35.933 1.00 39.77 N +ATOM 395 CA HIS A 75 25.640 7.344 36.319 1.00 42.09 C +ATOM 396 C HIS A 75 26.176 6.605 35.097 1.00 40.49 C +ATOM 397 O HIS A 75 27.259 6.022 35.141 1.00 40.59 O +ATOM 398 CB HIS A 75 24.537 6.501 36.971 1.00 46.71 C +ATOM 399 CG HIS A 75 24.139 6.972 38.335 1.00 52.91 C +ATOM 400 ND1 HIS A 75 25.003 7.650 39.171 1.00 56.38 N +ATOM 401 CD2 HIS A 75 22.980 6.836 39.023 1.00 55.42 C +ATOM 402 CE1 HIS A 75 24.392 7.912 40.312 1.00 58.17 C +ATOM 403 NE2 HIS A 75 23.163 7.428 40.249 1.00 58.09 N +ATOM 412 N ALA A 77 27.364 7.820 32.507 1.00 36.42 N +ATOM 413 CA ALA A 77 28.596 8.484 32.089 1.00 35.03 C +ATOM 414 C ALA A 77 29.770 8.010 32.943 1.00 35.20 C +ATOM 415 O ALA A 77 30.869 7.796 32.434 1.00 32.81 O +ATOM 416 CB ALA A 77 28.444 9.989 32.196 1.00 33.57 C +ATOM 417 N GLU A 78 29.546 7.854 34.244 1.00 37.36 N +ATOM 418 CA GLU A 78 30.607 7.371 35.119 1.00 41.22 C +ATOM 419 C GLU A 78 30.949 5.958 34.681 1.00 43.65 C +ATOM 420 O GLU A 78 32.097 5.662 34.348 1.00 44.69 O +ATOM 421 CB GLU A 78 30.149 7.341 36.572 1.00 42.96 C +ATOM 422 CG GLU A 78 29.895 8.694 37.174 1.00 46.44 C +ATOM 423 CD GLU A 78 29.678 8.605 38.663 1.00 51.95 C +ATOM 424 OE1 GLU A 78 30.651 8.292 39.382 1.00 54.62 O +ATOM 425 OE2 GLU A 78 28.535 8.836 39.116 1.00 56.76 O +ATOM 426 N LYS A 79 29.937 5.092 34.684 1.00 44.64 N +ATOM 427 CA LYS A 79 30.101 3.706 34.269 1.00 45.12 C +ATOM 428 C LYS A 79 30.983 3.594 33.033 1.00 43.16 C +ATOM 429 O LYS A 79 32.004 2.917 33.057 1.00 44.46 O +ATOM 430 CB LYS A 79 28.738 3.075 33.971 1.00 49.46 C +ATOM 431 CG LYS A 79 28.012 2.531 35.193 1.00 56.79 C +ATOM 432 CD LYS A 79 28.706 1.290 35.754 1.00 61.63 C +ATOM 433 CE LYS A 79 28.664 0.124 34.763 1.00 63.99 C +ATOM 434 NZ LYS A 79 29.375 -1.090 35.272 1.00 63.48 N +ATOM 435 N LEU A 80 30.596 4.268 31.956 1.00 40.20 N +ATOM 436 CA LEU A 80 31.365 4.206 30.720 1.00 38.12 C +ATOM 437 C LEU A 80 32.619 5.084 30.705 1.00 37.45 C +ATOM 438 O LEU A 80 33.404 5.048 29.755 1.00 34.96 O +ATOM 439 CB LEU A 80 30.466 4.549 29.528 1.00 36.57 C +ATOM 440 CG LEU A 80 29.260 3.628 29.303 1.00 37.74 C +ATOM 441 CD1 LEU A 80 28.795 3.736 27.859 1.00 35.91 C +ATOM 442 CD2 LEU A 80 29.644 2.188 29.606 1.00 38.14 C +ATOM 443 N GLY A 81 32.809 5.867 31.760 1.00 37.09 N +ATOM 444 CA GLY A 81 33.971 6.735 31.831 1.00 35.92 C +ATOM 445 C GLY A 81 33.968 7.846 30.796 1.00 36.53 C +ATOM 446 O GLY A 81 35.025 8.241 30.311 1.00 36.25 O +ATOM 447 N CYS A 82 32.783 8.348 30.456 1.00 36.26 N +ATOM 448 CA CYS A 82 32.654 9.422 29.476 1.00 35.52 C +ATOM 449 C CYS A 82 33.096 10.712 30.115 1.00 34.27 C +ATOM 450 O CYS A 82 33.387 10.749 31.310 1.00 34.74 O +ATOM 451 CB CYS A 82 31.195 9.584 29.029 1.00 38.47 C +ATOM 452 SG CYS A 82 30.507 8.107 28.230 1.00 44.55 S +ATOM 453 N PHE A 83 33.154 11.770 29.317 1.00 32.39 N +ATOM 454 CA PHE A 83 33.516 13.077 29.836 1.00 29.73 C +ATOM 455 C PHE A 83 32.220 13.681 30.380 1.00 29.62 C +ATOM 456 O PHE A 83 31.127 13.183 30.098 1.00 29.49 O +ATOM 457 CB PHE A 83 34.066 13.978 28.726 1.00 28.12 C +ATOM 458 CG PHE A 83 35.408 13.555 28.198 1.00 29.09 C +ATOM 459 CD1 PHE A 83 36.477 13.338 29.064 1.00 28.54 C +ATOM 460 CD2 PHE A 83 35.615 13.413 26.829 1.00 29.03 C +ATOM 461 CE1 PHE A 83 37.735 12.989 28.574 1.00 27.90 C +ATOM 462 CE2 PHE A 83 36.871 13.062 26.327 1.00 29.58 C +ATOM 463 CZ PHE A 83 37.933 12.850 27.202 1.00 26.63 C +ATOM 464 N TRP A 84 32.337 14.743 31.163 1.00 28.00 N +ATOM 465 CA TRP A 84 31.161 15.395 31.701 1.00 26.37 C +ATOM 466 C TRP A 84 31.409 16.894 31.763 1.00 27.48 C +ATOM 467 O TRP A 84 32.333 17.352 32.428 1.00 30.08 O +ATOM 468 CB TRP A 84 30.824 14.843 33.089 1.00 24.79 C +ATOM 469 CG TRP A 84 29.484 15.303 33.570 1.00 26.71 C +ATOM 470 CD1 TRP A 84 29.218 16.398 34.350 1.00 25.35 C +ATOM 471 CD2 TRP A 84 28.209 14.730 33.233 1.00 24.64 C +ATOM 472 NE1 TRP A 84 27.859 16.542 34.511 1.00 26.70 N +ATOM 473 CE2 TRP A 84 27.217 15.536 33.836 1.00 25.24 C +ATOM 474 CE3 TRP A 84 27.809 13.622 32.470 1.00 22.97 C +ATOM 475 CZ2 TRP A 84 25.847 15.258 33.708 1.00 25.49 C +ATOM 476 CZ3 TRP A 84 26.447 13.348 32.341 1.00 21.48 C +ATOM 477 CH2 TRP A 84 25.485 14.165 32.954 1.00 21.50 C +ATOM 478 N PRO A 85 30.618 17.675 31.012 1.00 27.12 N +ATOM 479 CA PRO A 85 29.551 17.160 30.144 1.00 25.94 C +ATOM 480 C PRO A 85 30.144 16.593 28.848 1.00 27.64 C +ATOM 481 O PRO A 85 31.361 16.438 28.722 1.00 26.21 O +ATOM 482 CB PRO A 85 28.697 18.399 29.891 1.00 24.63 C +ATOM 483 CG PRO A 85 29.731 19.504 29.870 1.00 21.34 C +ATOM 484 CD PRO A 85 30.615 19.151 31.044 1.00 23.29 C +ATOM 485 N ASN A 86 29.279 16.281 27.890 1.00 27.84 N +ATOM 486 CA ASN A 86 29.719 15.769 26.598 1.00 26.02 C +ATOM 487 C ASN A 86 28.612 16.037 25.583 1.00 27.11 C +ATOM 488 O ASN A 86 27.436 16.156 25.948 1.00 28.54 O +ATOM 489 CB ASN A 86 30.052 14.275 26.698 1.00 22.74 C +ATOM 490 CG ASN A 86 28.880 13.445 27.145 1.00 24.40 C +ATOM 491 OD1 ASN A 86 27.919 13.262 26.403 1.00 23.62 O +ATOM 492 ND2 ASN A 86 28.948 12.936 28.370 1.00 25.71 N +ATOM 493 N ALA A 87 28.985 16.142 24.312 1.00 25.48 N +ATOM 494 CA ALA A 87 28.024 16.448 23.258 1.00 24.27 C +ATOM 495 C ALA A 87 26.790 15.557 23.210 1.00 24.33 C +ATOM 496 O ALA A 87 25.692 16.028 22.918 1.00 27.34 O +ATOM 497 CB ALA A 87 28.726 16.448 21.899 1.00 21.41 C +ATOM 498 N GLU A 88 26.962 14.277 23.505 1.00 24.45 N +ATOM 499 CA GLU A 88 25.852 13.339 23.463 1.00 24.74 C +ATOM 500 C GLU A 88 24.789 13.647 24.518 1.00 25.42 C +ATOM 501 O GLU A 88 23.612 13.798 24.188 1.00 23.00 O +ATOM 502 CB GLU A 88 26.379 11.909 23.632 1.00 27.01 C +ATOM 503 CG GLU A 88 25.365 10.820 23.353 1.00 30.87 C +ATOM 504 CD GLU A 88 24.760 10.931 21.966 1.00 35.10 C +ATOM 505 OE1 GLU A 88 25.533 11.038 20.986 1.00 35.14 O +ATOM 506 OE2 GLU A 88 23.513 10.909 21.858 1.00 38.39 O +ATOM 507 N VAL A 89 25.194 13.750 25.782 1.00 24.62 N +ATOM 508 CA VAL A 89 24.232 14.036 26.836 1.00 26.53 C +ATOM 509 C VAL A 89 23.621 15.422 26.623 1.00 27.45 C +ATOM 510 O VAL A 89 22.444 15.648 26.925 1.00 25.71 O +ATOM 511 CB VAL A 89 24.882 13.952 28.251 1.00 29.53 C +ATOM 512 CG1 VAL A 89 25.956 15.020 28.419 1.00 29.25 C +ATOM 513 CG2 VAL A 89 23.802 14.111 29.317 1.00 30.93 C +ATOM 514 N ASP A 90 24.439 16.338 26.104 1.00 27.77 N +ATOM 515 CA ASP A 90 24.016 17.701 25.799 1.00 26.64 C +ATOM 516 C ASP A 90 22.816 17.647 24.872 1.00 25.69 C +ATOM 517 O ASP A 90 21.777 18.257 25.135 1.00 27.12 O +ATOM 518 CB ASP A 90 25.139 18.453 25.084 1.00 28.28 C +ATOM 519 CG ASP A 90 25.953 19.326 26.016 1.00 31.06 C +ATOM 520 OD1 ASP A 90 25.799 19.195 27.256 1.00 33.14 O +ATOM 521 OD2 ASP A 90 26.753 20.138 25.497 1.00 28.08 O +ATOM 522 N ARG A 91 22.979 16.908 23.781 1.00 23.35 N +ATOM 523 CA ARG A 91 21.931 16.758 22.784 1.00 24.77 C +ATOM 524 C ARG A 91 20.729 16.004 23.342 1.00 24.55 C +ATOM 525 O ARG A 91 19.586 16.295 22.989 1.00 24.56 O +ATOM 526 CB ARG A 91 22.484 16.022 21.566 1.00 23.52 C +ATOM 527 CG ARG A 91 21.536 15.955 20.388 1.00 25.86 C +ATOM 528 CD ARG A 91 22.243 15.365 19.175 1.00 29.25 C +ATOM 529 NE ARG A 91 22.696 13.992 19.408 1.00 30.99 N +ATOM 530 CZ ARG A 91 23.325 13.251 18.499 1.00 30.60 C +ATOM 531 NH1 ARG A 91 23.583 13.745 17.296 1.00 28.10 N +ATOM 532 NH2 ARG A 91 23.685 12.009 18.785 1.00 31.57 N +ATOM 533 N PHE A 92 20.995 15.034 24.211 1.00 25.82 N +ATOM 534 CA PHE A 92 19.939 14.232 24.821 1.00 26.86 C +ATOM 535 C PHE A 92 18.979 15.121 25.590 1.00 27.68 C +ATOM 536 O PHE A 92 17.773 15.056 25.389 1.00 30.04 O +ATOM 537 CB PHE A 92 20.539 13.207 25.782 1.00 27.65 C +ATOM 538 CG PHE A 92 19.529 12.279 26.385 1.00 27.90 C +ATOM 539 CD1 PHE A 92 19.039 11.199 25.659 1.00 29.18 C +ATOM 540 CD2 PHE A 92 19.074 12.474 27.686 1.00 27.58 C +ATOM 541 CE1 PHE A 92 18.111 10.322 26.219 1.00 29.00 C +ATOM 542 CE2 PHE A 92 18.143 11.601 28.258 1.00 28.79 C +ATOM 543 CZ PHE A 92 17.663 10.523 27.526 1.00 27.75 C +ATOM 544 N PHE A 93 19.518 15.955 26.474 1.00 29.51 N +ATOM 545 CA PHE A 93 18.678 16.844 27.264 1.00 29.13 C +ATOM 546 C PHE A 93 18.004 17.904 26.418 1.00 28.88 C +ATOM 547 O PHE A 93 16.896 18.343 26.731 1.00 29.45 O +ATOM 548 CB PHE A 93 19.484 17.471 28.405 1.00 29.41 C +ATOM 549 CG PHE A 93 19.453 16.652 29.658 1.00 29.48 C +ATOM 550 CD1 PHE A 93 18.307 16.627 30.450 1.00 29.15 C +ATOM 551 CD2 PHE A 93 20.507 15.803 29.977 1.00 31.80 C +ATOM 552 CE1 PHE A 93 18.204 15.762 31.539 1.00 30.08 C +ATOM 553 CE2 PHE A 93 20.417 14.927 31.068 1.00 30.98 C +ATOM 554 CZ PHE A 93 19.261 14.904 31.848 1.00 31.02 C +ATOM 555 N LEU A 94 18.653 18.305 25.333 1.00 27.49 N +ATOM 556 CA LEU A 94 18.036 19.289 24.468 1.00 28.16 C +ATOM 557 C LEU A 94 16.744 18.658 23.944 1.00 27.70 C +ATOM 558 O LEU A 94 15.705 19.317 23.853 1.00 28.73 O +ATOM 559 CB LEU A 94 18.958 19.642 23.302 1.00 29.51 C +ATOM 560 CG LEU A 94 18.978 21.149 23.030 1.00 30.85 C +ATOM 561 CD1 LEU A 94 19.718 21.831 24.169 1.00 29.78 C +ATOM 562 CD2 LEU A 94 19.648 21.454 21.711 1.00 32.30 C +ATOM 563 N ALA A 95 16.822 17.369 23.625 1.00 25.96 N +ATOM 564 CA ALA A 95 15.688 16.618 23.107 1.00 24.20 C +ATOM 565 C ALA A 95 14.560 16.465 24.137 1.00 24.97 C +ATOM 566 O ALA A 95 13.380 16.662 23.815 1.00 23.69 O +ATOM 567 CB ALA A 95 16.155 15.256 22.639 1.00 22.12 C +ATOM 568 N VAL A 96 14.922 16.115 25.370 1.00 22.11 N +ATOM 569 CA VAL A 96 13.937 15.949 26.427 1.00 19.13 C +ATOM 570 C VAL A 96 13.205 17.260 26.673 1.00 20.92 C +ATOM 571 O VAL A 96 11.987 17.278 26.870 1.00 20.45 O +ATOM 572 CB VAL A 96 14.606 15.476 27.737 1.00 19.99 C +ATOM 573 CG1 VAL A 96 13.615 15.537 28.894 1.00 20.76 C +ATOM 574 CG2 VAL A 96 15.096 14.058 27.571 1.00 18.64 C +ATOM 575 N HIS A 97 13.953 18.360 26.660 1.00 23.07 N +ATOM 576 CA HIS A 97 13.368 19.681 26.872 1.00 23.41 C +ATOM 577 C HIS A 97 12.444 20.030 25.718 1.00 23.80 C +ATOM 578 O HIS A 97 11.331 20.516 25.932 1.00 24.03 O +ATOM 579 CB HIS A 97 14.458 20.744 26.985 1.00 22.84 C +ATOM 580 CG HIS A 97 15.210 20.704 28.276 1.00 25.65 C +ATOM 581 ND1 HIS A 97 16.140 21.659 28.625 1.00 26.15 N +ATOM 582 CD2 HIS A 97 15.166 19.827 29.308 1.00 24.36 C +ATOM 583 CE1 HIS A 97 16.634 21.374 29.815 1.00 24.33 C +ATOM 584 NE2 HIS A 97 16.060 20.267 30.252 1.00 24.28 N +ATOM 585 N GLY A 98 12.913 19.774 24.499 1.00 22.12 N +ATOM 586 CA GLY A 98 12.122 20.061 23.322 1.00 24.39 C +ATOM 587 C GLY A 98 10.810 19.296 23.226 1.00 28.40 C +ATOM 588 O GLY A 98 9.896 19.752 22.541 1.00 32.33 O +ATOM 589 N ARG A 99 10.698 18.147 23.893 1.00 29.53 N +ATOM 590 CA ARG A 99 9.467 17.366 23.823 1.00 29.93 C +ATOM 591 C ARG A 99 8.618 17.360 25.089 1.00 28.79 C +ATOM 592 O ARG A 99 7.400 17.445 25.018 1.00 30.30 O +ATOM 593 CB ARG A 99 9.760 15.909 23.451 1.00 35.58 C +ATOM 594 CG ARG A 99 8.494 15.144 23.055 1.00 41.46 C +ATOM 595 CD ARG A 99 8.410 13.733 23.626 1.00 46.70 C +ATOM 596 NE ARG A 99 9.285 12.775 22.954 1.00 52.51 N +ATOM 597 CZ ARG A 99 8.940 11.517 22.673 1.00 56.84 C +ATOM 598 NH1 ARG A 99 7.732 11.058 22.998 1.00 54.62 N +ATOM 599 NH2 ARG A 99 9.809 10.708 22.078 1.00 57.03 N +ATOM 600 N TYR A 100 9.249 17.247 26.249 1.00 29.19 N +ATOM 601 CA TYR A 100 8.500 17.198 27.500 1.00 27.86 C +ATOM 602 C TYR A 100 8.325 18.523 28.211 1.00 28.61 C +ATOM 603 O TYR A 100 7.297 18.763 28.826 1.00 29.25 O +ATOM 604 CB TYR A 100 9.169 16.217 28.450 1.00 27.52 C +ATOM 605 CG TYR A 100 9.215 14.820 27.899 1.00 29.01 C +ATOM 606 CD1 TYR A 100 8.167 13.932 28.114 1.00 26.90 C +ATOM 607 CD2 TYR A 100 10.291 14.399 27.118 1.00 29.64 C +ATOM 608 CE1 TYR A 100 8.187 12.662 27.565 1.00 30.79 C +ATOM 609 CE2 TYR A 100 10.320 13.136 26.564 1.00 30.46 C +ATOM 610 CZ TYR A 100 9.265 12.269 26.788 1.00 30.61 C +ATOM 611 OH TYR A 100 9.286 11.016 26.220 1.00 33.84 O +ATOM 612 N PHE A 101 9.315 19.398 28.114 1.00 29.47 N +ATOM 613 CA PHE A 101 9.232 20.669 28.811 1.00 30.11 C +ATOM 614 C PHE A 101 9.249 21.868 27.891 1.00 31.15 C +ATOM 615 O PHE A 101 10.174 22.671 27.896 1.00 33.30 O +ATOM 616 CB PHE A 101 10.363 20.733 29.828 1.00 28.18 C +ATOM 617 CG PHE A 101 10.449 19.508 30.683 1.00 28.97 C +ATOM 618 CD1 PHE A 101 9.401 19.171 31.547 1.00 28.27 C +ATOM 619 CD2 PHE A 101 11.544 18.652 30.591 1.00 29.30 C +ATOM 620 CE1 PHE A 101 9.447 17.998 32.306 1.00 29.72 C +ATOM 621 CE2 PHE A 101 11.597 17.470 31.351 1.00 28.98 C +ATOM 622 CZ PHE A 101 10.549 17.145 32.205 1.00 27.80 C +ATOM 623 N ARG A 102 8.188 21.990 27.110 1.00 35.53 N +ATOM 624 CA ARG A 102 8.060 23.083 26.169 1.00 39.35 C +ATOM 625 C ARG A 102 7.023 24.094 26.684 1.00 38.08 C +ATOM 626 O ARG A 102 5.899 23.722 27.029 1.00 39.30 O +ATOM 627 CB ARG A 102 7.653 22.515 24.795 1.00 41.87 C +ATOM 628 CG ARG A 102 8.019 23.410 23.612 1.00 50.13 C +ATOM 629 CD ARG A 102 7.832 22.730 22.240 1.00 52.69 C +ATOM 630 NE ARG A 102 6.445 22.363 21.965 1.00 55.50 N +ATOM 631 CZ ARG A 102 5.912 21.183 22.260 1.00 58.02 C +ATOM 632 NH1 ARG A 102 6.654 20.249 22.840 1.00 58.29 N +ATOM 633 NH2 ARG A 102 4.639 20.937 21.971 1.00 59.70 N +ATOM 634 N SER A 103 7.419 25.361 26.771 1.00 33.72 N +ATOM 635 CA SER A 103 6.513 26.421 27.206 1.00 33.36 C +ATOM 636 C SER A 103 6.090 26.364 28.672 1.00 32.85 C +ATOM 637 O SER A 103 4.970 26.744 29.020 1.00 30.97 O +ATOM 638 CB SER A 103 5.265 26.414 26.327 1.00 33.67 C +ATOM 639 OG SER A 103 5.620 26.411 24.956 1.00 38.84 O +ATOM 640 N CYS A 104 6.993 25.913 29.532 1.00 32.32 N +ATOM 641 CA CYS A 104 6.714 25.812 30.959 1.00 30.40 C +ATOM 642 C CYS A 104 6.872 27.173 31.639 1.00 30.38 C +ATOM 643 O CYS A 104 7.902 27.822 31.497 1.00 30.24 O +ATOM 644 CB CYS A 104 7.660 24.796 31.581 1.00 28.90 C +ATOM 645 SG CYS A 104 7.385 23.080 31.024 1.00 28.89 S +ATOM 646 N PRO A 105 5.851 27.617 32.398 1.00 30.73 N +ATOM 647 CA PRO A 105 5.878 28.910 33.095 1.00 31.23 C +ATOM 648 C PRO A 105 6.768 28.987 34.340 1.00 33.17 C +ATOM 649 O PRO A 105 7.128 27.974 34.939 1.00 31.67 O +ATOM 650 CB PRO A 105 4.404 29.144 33.477 1.00 27.86 C +ATOM 651 CG PRO A 105 3.630 28.116 32.721 1.00 28.02 C +ATOM 652 CD PRO A 105 4.562 26.946 32.625 1.00 30.13 C +ATOM 653 N ILE A 106 7.109 30.213 34.715 1.00 34.60 N +ATOM 654 CA ILE A 106 7.886 30.471 35.913 1.00 36.15 C +ATOM 655 C ILE A 106 6.873 31.103 36.875 1.00 39.57 C +ATOM 656 O ILE A 106 6.366 32.197 36.615 1.00 39.08 O +ATOM 657 CB ILE A 106 9.024 31.487 35.652 1.00 35.71 C +ATOM 658 CG1 ILE A 106 9.963 30.970 34.560 1.00 35.05 C +ATOM 659 CG2 ILE A 106 9.801 31.738 36.940 1.00 35.95 C +ATOM 660 CD1 ILE A 106 11.114 31.916 34.247 1.00 29.87 C +ATOM 661 N SER A 107 6.567 30.411 37.970 1.00 42.31 N +ATOM 662 CA SER A 107 5.606 30.909 38.959 1.00 45.66 C +ATOM 663 C SER A 107 5.738 32.408 39.254 1.00 49.22 C +ATOM 664 O SER A 107 4.712 33.031 39.613 1.00 50.34 O +ATOM 665 CB SER A 107 5.740 30.130 40.267 1.00 42.41 C +ATOM 666 OG SER A 107 6.989 30.395 40.869 1.00 39.77 O Added: SwiftApps/modFTdock/input/2yx8-2.pdb =================================================================== --- SwiftApps/modFTdock/input/2yx8-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/2yx8-2.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,650 @@ +ATOM 1 N CYS A 27 34.939 8.141 26.097 1.00 61.68 N +ATOM 2 CA CYS A 27 34.305 6.810 26.338 1.00 61.01 C +ATOM 3 C CYS A 27 33.741 6.231 25.060 1.00 63.98 C +ATOM 4 O CYS A 27 33.961 6.755 23.970 1.00 63.63 O +ATOM 5 CB CYS A 27 33.143 6.934 27.318 1.00 56.61 C +ATOM 6 SG CYS A 27 31.731 7.869 26.631 1.00 47.29 S +ATOM 7 N GLN A 28 32.991 5.146 25.218 1.00 68.75 N +ATOM 8 CA GLN A 28 32.334 4.496 24.093 1.00 73.22 C +ATOM 9 C GLN A 28 31.154 5.416 23.768 1.00 73.73 C +ATOM 10 O GLN A 28 29.987 5.038 23.890 1.00 74.54 O +ATOM 11 CB GLN A 28 31.838 3.108 24.503 1.00 76.68 C +ATOM 12 CG GLN A 28 32.920 2.234 25.123 1.00 81.48 C +ATOM 13 CD GLN A 28 32.964 0.839 24.522 1.00 83.09 C +ATOM 14 OE1 GLN A 28 33.062 0.683 23.303 1.00 82.96 O +ATOM 15 NE2 GLN A 28 32.899 -0.182 25.375 1.00 82.87 N +ATOM 16 N GLU A 29 31.495 6.635 23.364 1.00 73.82 N +ATOM 17 CA GLU A 29 30.542 7.687 23.040 1.00 74.65 C +ATOM 18 C GLU A 29 29.297 7.293 22.246 1.00 73.55 C +ATOM 19 O GLU A 29 28.207 7.799 22.514 1.00 73.38 O +ATOM 20 CB GLU A 29 31.287 8.820 22.329 1.00 78.09 C +ATOM 21 CG GLU A 29 32.308 9.529 23.224 1.00 83.97 C +ATOM 22 CD GLU A 29 33.163 10.541 22.473 1.00 86.41 C +ATOM 23 OE1 GLU A 29 32.589 11.398 21.769 1.00 88.80 O +ATOM 24 OE2 GLU A 29 34.407 10.485 22.591 1.00 87.12 O +ATOM 25 N ALA A 30 29.446 6.399 21.275 1.00 72.70 N +ATOM 26 CA ALA A 30 28.304 5.975 20.464 1.00 69.70 C +ATOM 27 C ALA A 30 27.272 5.200 21.278 1.00 66.91 C +ATOM 28 O ALA A 30 26.109 5.609 21.376 1.00 67.16 O +ATOM 29 CB ALA A 30 28.779 5.120 19.294 1.00 72.24 C +ATOM 30 N ASN A 31 27.706 4.077 21.850 1.00 62.40 N +ATOM 31 CA ASN A 31 26.826 3.225 22.638 1.00 58.76 C +ATOM 32 C ASN A 31 26.400 3.890 23.938 1.00 54.31 C +ATOM 33 O ASN A 31 25.533 3.387 24.647 1.00 53.67 O +ATOM 34 CB ASN A 31 27.498 1.871 22.908 1.00 62.27 C +ATOM 35 CG ASN A 31 28.342 1.867 24.167 1.00 65.87 C +ATOM 36 OD1 ASN A 31 29.248 2.679 24.316 1.00 66.87 O +ATOM 37 ND2 ASN A 31 28.048 0.938 25.081 1.00 65.53 N +ATOM 38 N TYR A 32 27.019 5.019 24.257 1.00 48.72 N +ATOM 39 CA TYR A 32 26.645 5.753 25.454 1.00 43.67 C +ATOM 40 C TYR A 32 25.280 6.377 25.157 1.00 43.16 C +ATOM 41 O TYR A 32 24.404 6.439 26.021 1.00 42.14 O +ATOM 42 CB TYR A 32 27.672 6.847 25.766 1.00 38.47 C +ATOM 43 CG TYR A 32 27.198 7.842 26.800 1.00 35.36 C +ATOM 44 CD1 TYR A 32 26.894 7.436 28.099 1.00 34.21 C +ATOM 45 CD2 TYR A 32 27.031 9.188 26.475 1.00 31.93 C +ATOM 46 CE1 TYR A 32 26.436 8.340 29.050 1.00 30.55 C +ATOM 47 CE2 TYR A 32 26.569 10.103 27.425 1.00 31.91 C +ATOM 48 CZ TYR A 32 26.277 9.668 28.709 1.00 31.49 C +ATOM 49 OH TYR A 32 25.840 10.559 29.662 1.00 35.30 O +ATOM 50 N GLY A 33 25.110 6.827 23.917 1.00 43.03 N +ATOM 51 CA GLY A 33 23.855 7.428 23.503 1.00 42.48 C +ATOM 52 C GLY A 33 22.719 6.422 23.438 1.00 40.90 C +ATOM 53 O GLY A 33 21.588 6.726 23.812 1.00 40.66 O +ATOM 54 N ALA A 34 23.012 5.220 22.958 1.00 40.45 N +ATOM 55 CA ALA A 34 21.994 4.180 22.871 1.00 40.50 C +ATOM 56 C ALA A 34 21.534 3.866 24.291 1.00 39.69 C +ATOM 57 O ALA A 34 20.335 3.799 24.584 1.00 39.44 O +ATOM 58 CB ALA A 34 22.575 2.933 22.219 1.00 39.00 C +ATOM 59 N LEU A 35 22.517 3.694 25.167 1.00 38.14 N +ATOM 60 CA LEU A 35 22.297 3.382 26.570 1.00 37.24 C +ATOM 61 C LEU A 35 21.422 4.441 27.246 1.00 37.18 C +ATOM 62 O LEU A 35 20.601 4.128 28.108 1.00 38.96 O +ATOM 63 CB LEU A 35 23.654 3.287 27.267 1.00 35.44 C +ATOM 64 CG LEU A 35 23.757 2.487 28.560 1.00 39.69 C +ATOM 65 CD1 LEU A 35 23.143 1.101 28.370 1.00 39.38 C +ATOM 66 CD2 LEU A 35 25.225 2.374 28.954 1.00 39.30 C +ATOM 67 N LEU A 36 21.598 5.694 26.842 1.00 36.41 N +ATOM 68 CA LEU A 36 20.832 6.803 27.398 1.00 33.78 C +ATOM 69 C LEU A 36 19.352 6.706 27.052 1.00 33.47 C +ATOM 70 O LEU A 36 18.500 7.067 27.852 1.00 33.79 O +ATOM 71 CB LEU A 36 21.392 8.131 26.872 1.00 32.30 C +ATOM 72 CG LEU A 36 22.130 9.090 27.814 1.00 30.60 C +ATOM 73 CD1 LEU A 36 22.969 8.328 28.830 1.00 30.80 C +ATOM 74 CD2 LEU A 36 22.993 10.024 26.973 1.00 29.11 C +ATOM 75 N ARG A 37 19.041 6.220 25.858 1.00 35.38 N +ATOM 76 CA ARG A 37 17.649 6.121 25.444 1.00 39.37 C +ATOM 77 C ARG A 37 17.044 4.792 25.866 1.00 40.04 C +ATOM 78 O ARG A 37 15.900 4.732 26.323 1.00 40.22 O +ATOM 79 CB ARG A 37 17.537 6.301 23.923 1.00 39.85 C +ATOM 80 CG ARG A 37 18.256 7.550 23.418 1.00 46.81 C +ATOM 81 CD ARG A 37 17.998 7.868 21.948 1.00 50.83 C +ATOM 82 NE ARG A 37 16.738 8.579 21.724 1.00 55.62 N +ATOM 83 CZ ARG A 37 15.542 7.997 21.661 1.00 57.85 C +ATOM 84 NH1 ARG A 37 15.433 6.682 21.803 1.00 58.33 N +ATOM 85 NH2 ARG A 37 14.453 8.727 21.450 1.00 57.99 N +ATOM 86 N GLU A 38 17.829 3.732 25.727 1.00 39.83 N +ATOM 87 CA GLU A 38 17.382 2.393 26.069 1.00 41.11 C +ATOM 88 C GLU A 38 17.141 2.190 27.555 1.00 40.95 C +ATOM 89 O GLU A 38 16.219 1.472 27.949 1.00 41.87 O +ATOM 90 CB GLU A 38 18.403 1.373 25.569 1.00 43.11 C +ATOM 91 CG GLU A 38 18.331 1.107 24.070 1.00 46.93 C +ATOM 92 CD GLU A 38 19.643 0.588 23.514 1.00 51.67 C +ATOM 93 OE1 GLU A 38 20.427 -0.005 24.293 1.00 53.31 O +ATOM 94 OE2 GLU A 38 19.888 0.766 22.300 1.00 52.27 O +ATOM 95 N LEU A 39 17.957 2.833 28.380 1.00 39.81 N +ATOM 96 CA LEU A 39 17.839 2.682 29.820 1.00 38.54 C +ATOM 97 C LEU A 39 17.211 3.883 30.522 1.00 38.53 C +ATOM 98 O LEU A 39 16.128 3.783 31.090 1.00 40.83 O +ATOM 99 CB LEU A 39 19.221 2.415 30.409 1.00 38.80 C +ATOM 100 CG LEU A 39 19.384 1.401 31.545 1.00 41.69 C +ATOM 101 CD1 LEU A 39 20.149 2.081 32.666 1.00 40.25 C +ATOM 102 CD2 LEU A 39 18.034 0.874 32.033 1.00 40.09 C +ATOM 103 N CYS A 40 17.895 5.019 30.476 1.00 37.31 N +ATOM 104 CA CYS A 40 17.426 6.236 31.131 1.00 36.07 C +ATOM 105 C CYS A 40 16.124 6.828 30.600 1.00 35.46 C +ATOM 106 O CYS A 40 15.206 7.106 31.366 1.00 34.28 O +ATOM 107 CB CYS A 40 18.507 7.312 31.053 1.00 35.54 C +ATOM 108 SG CYS A 40 20.105 6.835 31.775 1.00 37.77 S +ATOM 109 N LEU A 41 16.055 7.034 29.290 1.00 34.46 N +ATOM 110 CA LEU A 41 14.878 7.633 28.672 1.00 33.90 C +ATOM 111 C LEU A 41 13.609 6.814 28.866 1.00 34.43 C +ATOM 112 O LEU A 41 12.554 7.362 29.187 1.00 33.76 O +ATOM 113 CB LEU A 41 15.128 7.864 27.174 1.00 31.47 C +ATOM 114 CG LEU A 41 14.047 8.641 26.416 1.00 29.03 C +ATOM 115 CD1 LEU A 41 13.811 9.975 27.102 1.00 28.18 C +ATOM 116 CD2 LEU A 41 14.468 8.850 24.969 1.00 26.16 C +ATOM 117 N THR A 42 13.714 5.503 28.677 1.00 35.03 N +ATOM 118 CA THR A 42 12.563 4.618 28.821 1.00 36.27 C +ATOM 119 C THR A 42 11.867 4.743 30.183 1.00 38.01 C +ATOM 120 O THR A 42 10.633 4.854 30.254 1.00 37.47 O +ATOM 121 CB THR A 42 12.972 3.153 28.593 1.00 35.39 C +ATOM 122 OG1 THR A 42 14.069 2.824 29.453 1.00 36.57 O +ATOM 123 CG2 THR A 42 13.384 2.940 27.146 1.00 33.96 C +ATOM 124 N GLN A 43 12.655 4.733 31.257 1.00 36.57 N +ATOM 125 CA GLN A 43 12.102 4.843 32.598 1.00 36.73 C +ATOM 126 C GLN A 43 11.420 6.188 32.799 1.00 36.00 C +ATOM 127 O GLN A 43 10.355 6.276 33.414 1.00 34.91 O +ATOM 128 CB GLN A 43 13.206 4.665 33.639 1.00 40.23 C +ATOM 129 CG GLN A 43 12.745 4.895 35.081 1.00 47.46 C +ATOM 130 CD GLN A 43 11.503 4.100 35.438 1.00 49.65 C +ATOM 131 OE1 GLN A 43 11.472 2.880 35.289 1.00 53.05 O +ATOM 132 NE2 GLN A 43 10.472 4.791 35.916 1.00 50.49 N +ATOM 133 N PHE A 44 12.049 7.235 32.276 1.00 34.72 N +ATOM 134 CA PHE A 44 11.527 8.592 32.380 1.00 33.08 C +ATOM 135 C PHE A 44 10.185 8.716 31.641 1.00 34.45 C +ATOM 136 O PHE A 44 9.305 9.483 32.049 1.00 32.48 O +ATOM 137 CB PHE A 44 12.556 9.564 31.792 1.00 27.88 C +ATOM 138 CG PHE A 44 12.077 10.986 31.693 1.00 24.19 C +ATOM 139 CD1 PHE A 44 11.945 11.775 32.833 1.00 24.60 C +ATOM 140 CD2 PHE A 44 11.772 11.540 30.453 1.00 20.52 C +ATOM 141 CE1 PHE A 44 11.524 13.099 32.738 1.00 22.21 C +ATOM 142 CE2 PHE A 44 11.349 12.863 30.344 1.00 20.25 C +ATOM 143 CZ PHE A 44 11.224 13.644 31.489 1.00 23.05 C +ATOM 144 N GLN A 45 10.038 7.951 30.560 1.00 34.96 N +ATOM 145 CA GLN A 45 8.821 7.970 29.751 1.00 37.01 C +ATOM 146 C GLN A 45 7.637 7.338 30.471 1.00 36.53 C +ATOM 147 O GLN A 45 6.513 7.822 30.368 1.00 34.44 O +ATOM 148 CB GLN A 45 9.064 7.264 28.413 1.00 34.39 C +ATOM 149 CG GLN A 45 10.175 7.904 27.612 1.00 35.11 C +ATOM 150 CD GLN A 45 10.335 7.300 26.235 1.00 36.30 C +ATOM 151 OE1 GLN A 45 10.399 6.085 26.082 1.00 37.87 O +ATOM 152 NE2 GLN A 45 10.416 8.154 25.222 1.00 36.47 N +ATOM 153 N VAL A 46 7.889 6.252 31.191 1.00 39.79 N +ATOM 154 CA VAL A 46 6.824 5.600 31.938 1.00 42.19 C +ATOM 155 C VAL A 46 6.309 6.580 32.989 1.00 43.86 C +ATOM 156 O VAL A 46 5.112 6.859 33.056 1.00 44.77 O +ATOM 157 CB VAL A 46 7.328 4.331 32.639 1.00 42.37 C +ATOM 158 CG1 VAL A 46 6.258 3.799 33.578 1.00 43.37 C +ATOM 159 CG2 VAL A 46 7.688 3.281 31.603 1.00 41.25 C +ATOM 160 N ASP A 47 7.218 7.107 33.803 1.00 45.11 N +ATOM 161 CA ASP A 47 6.831 8.060 34.832 1.00 46.09 C +ATOM 162 C ASP A 47 6.089 9.233 34.196 1.00 45.89 C +ATOM 163 O ASP A 47 5.001 9.600 34.633 1.00 47.38 O +ATOM 164 CB ASP A 47 8.059 8.592 35.581 1.00 49.41 C +ATOM 165 CG ASP A 47 8.942 7.485 36.127 1.00 51.81 C +ATOM 166 OD1 ASP A 47 8.414 6.546 36.757 1.00 54.40 O +ATOM 167 OD2 ASP A 47 10.174 7.560 35.935 1.00 54.62 O +ATOM 176 N GLU A 49 4.548 9.390 31.429 1.00 45.27 N +ATOM 177 CA GLU A 49 3.299 8.935 30.844 1.00 45.20 C +ATOM 178 C GLU A 49 2.228 8.940 31.925 1.00 43.31 C +ATOM 179 O GLU A 49 1.090 9.334 31.683 1.00 43.03 O +ATOM 180 CB GLU A 49 3.474 7.525 30.281 1.00 49.20 C +ATOM 181 CG GLU A 49 2.377 7.071 29.342 1.00 55.98 C +ATOM 182 CD GLU A 49 2.212 8.001 28.151 1.00 61.73 C +ATOM 183 OE1 GLU A 49 3.239 8.387 27.549 1.00 62.44 O +ATOM 184 OE2 GLU A 49 1.054 8.341 27.814 1.00 65.19 O +ATOM 185 N ALA A 50 2.607 8.518 33.126 1.00 40.78 N +ATOM 186 CA ALA A 50 1.679 8.467 34.250 1.00 39.72 C +ATOM 187 C ALA A 50 1.234 9.855 34.733 1.00 39.94 C +ATOM 188 O ALA A 50 0.140 10.010 35.277 1.00 39.98 O +ATOM 189 CB ALA A 50 2.310 7.698 35.394 1.00 36.92 C +ATOM 190 N VAL A 51 2.080 10.861 34.541 1.00 38.53 N +ATOM 191 CA VAL A 51 1.750 12.215 34.972 1.00 37.20 C +ATOM 192 C VAL A 51 0.674 12.863 34.096 1.00 36.15 C +ATOM 193 O VAL A 51 -0.322 13.383 34.602 1.00 36.87 O +ATOM 194 CB VAL A 51 3.010 13.113 34.970 1.00 37.12 C +ATOM 195 CG1 VAL A 51 2.634 14.568 35.194 1.00 32.68 C +ATOM 196 CG2 VAL A 51 3.968 12.646 36.048 1.00 36.59 C +ATOM 197 N GLY A 52 0.883 12.822 32.785 1.00 35.75 N +ATOM 198 CA GLY A 52 -0.058 13.421 31.859 1.00 33.78 C +ATOM 199 C GLY A 52 0.644 14.533 31.104 1.00 34.05 C +ATOM 200 O GLY A 52 1.218 15.433 31.713 1.00 35.56 O +ATOM 201 N GLU A 53 0.591 14.491 29.779 1.00 34.55 N +ATOM 202 CA GLU A 53 1.259 15.498 28.973 1.00 34.19 C +ATOM 203 C GLU A 53 0.996 16.938 29.384 1.00 34.36 C +ATOM 204 O GLU A 53 1.932 17.724 29.518 1.00 35.03 O +ATOM 205 CB GLU A 53 0.900 15.326 27.505 1.00 36.39 C +ATOM 206 CG GLU A 53 1.625 16.316 26.624 1.00 42.76 C +ATOM 207 CD GLU A 53 1.746 15.851 25.194 1.00 45.62 C +ATOM 208 OE1 GLU A 53 1.892 14.629 24.976 1.00 46.36 O +ATOM 209 OE2 GLU A 53 1.714 16.714 24.293 1.00 49.56 O +ATOM 210 N THR A 54 -0.273 17.282 29.586 1.00 34.29 N +ATOM 211 CA THR A 54 -0.656 18.643 29.963 1.00 30.40 C +ATOM 212 C THR A 54 -0.251 19.063 31.376 1.00 30.04 C +ATOM 213 O THR A 54 -0.488 20.202 31.777 1.00 31.95 O +ATOM 214 CB THR A 54 -2.171 18.853 29.804 1.00 28.35 C +ATOM 215 OG1 THR A 54 -2.870 17.845 30.540 1.00 30.01 O +ATOM 216 CG2 THR A 54 -2.566 18.777 28.352 1.00 23.37 C +ATOM 217 N LEU A 55 0.346 18.150 32.134 1.00 28.91 N +ATOM 218 CA LEU A 55 0.799 18.475 33.483 1.00 28.23 C +ATOM 219 C LEU A 55 2.331 18.333 33.597 1.00 29.07 C +ATOM 220 O LEU A 55 2.891 18.400 34.693 1.00 29.10 O +ATOM 221 CB LEU A 55 0.103 17.573 34.517 1.00 26.75 C +ATOM 222 CG LEU A 55 -1.397 17.792 34.791 1.00 29.57 C +ATOM 223 CD1 LEU A 55 -1.863 16.825 35.886 1.00 29.23 C +ATOM 224 CD2 LEU A 55 -1.666 19.237 35.220 1.00 26.11 C +ATOM 225 N TRP A 56 3.009 18.154 32.465 1.00 27.34 N +ATOM 226 CA TRP A 56 4.460 17.994 32.475 1.00 26.32 C +ATOM 227 C TRP A 56 5.227 19.235 32.919 1.00 26.75 C +ATOM 228 O TRP A 56 6.362 19.137 33.387 1.00 28.13 O +ATOM 229 CB TRP A 56 4.971 17.571 31.098 1.00 24.03 C +ATOM 230 CG TRP A 56 4.667 16.155 30.730 1.00 23.65 C +ATOM 231 CD1 TRP A 56 4.307 15.141 31.573 1.00 22.47 C +ATOM 232 CD2 TRP A 56 4.747 15.581 29.419 1.00 23.84 C +ATOM 233 NE1 TRP A 56 4.161 13.968 30.867 1.00 25.19 N +ATOM 234 CE2 TRP A 56 4.427 14.209 29.544 1.00 21.95 C +ATOM 235 CE3 TRP A 56 5.064 16.091 28.151 1.00 24.10 C +ATOM 236 CZ2 TRP A 56 4.409 13.343 28.450 1.00 20.97 C +ATOM 237 CZ3 TRP A 56 5.047 15.229 27.061 1.00 22.85 C +ATOM 238 CH2 TRP A 56 4.723 13.867 27.220 1.00 22.20 C +ATOM 239 N CYS A 57 4.612 20.401 32.766 1.00 26.22 N +ATOM 240 CA CYS A 57 5.258 21.644 33.152 1.00 23.92 C +ATOM 241 C CYS A 57 5.133 21.923 34.650 1.00 25.12 C +ATOM 242 O CYS A 57 5.669 22.911 35.150 1.00 23.17 O +ATOM 243 CB CYS A 57 4.679 22.803 32.342 1.00 21.59 C +ATOM 244 SG CYS A 57 5.385 23.001 30.665 1.00 27.97 S +ATOM 245 N ASP A 58 4.422 21.051 35.362 1.00 26.35 N +ATOM 246 CA ASP A 58 4.251 21.201 36.805 1.00 27.93 C +ATOM 247 C ASP A 58 5.391 20.470 37.500 1.00 28.05 C +ATOM 248 O ASP A 58 5.324 19.258 37.719 1.00 27.70 O +ATOM 249 CB ASP A 58 2.903 20.624 37.252 1.00 29.57 C +ATOM 250 CG ASP A 58 2.694 20.722 38.754 1.00 30.94 C +ATOM 251 OD1 ASP A 58 3.232 21.667 39.365 1.00 33.12 O +ATOM 252 OD2 ASP A 58 1.981 19.866 39.328 1.00 34.06 O +ATOM 253 N TRP A 59 6.436 21.221 37.837 1.00 28.53 N +ATOM 254 CA TRP A 59 7.624 20.677 38.483 1.00 27.00 C +ATOM 255 C TRP A 59 7.311 19.901 39.750 1.00 28.60 C +ATOM 256 O TRP A 59 8.035 18.975 40.112 1.00 27.85 O +ATOM 257 CB TRP A 59 8.608 21.808 38.770 1.00 26.34 C +ATOM 258 CG TRP A 59 9.034 22.516 37.502 1.00 28.03 C +ATOM 259 CD1 TRP A 59 8.821 23.829 37.177 1.00 25.95 C +ATOM 260 CD2 TRP A 59 9.694 21.927 36.369 1.00 26.99 C +ATOM 261 NE1 TRP A 59 9.306 24.090 35.913 1.00 27.15 N +ATOM 262 CE2 TRP A 59 9.845 22.942 35.396 1.00 25.59 C +ATOM 263 CE3 TRP A 59 10.172 20.640 36.084 1.00 27.98 C +ATOM 264 CZ2 TRP A 59 10.451 22.709 34.159 1.00 27.19 C +ATOM 265 CZ3 TRP A 59 10.778 20.409 34.848 1.00 28.14 C +ATOM 266 CH2 TRP A 59 10.910 21.440 33.902 1.00 25.38 C +ATOM 267 N GLY A 60 6.219 20.265 40.412 1.00 29.82 N +ATOM 268 CA GLY A 60 5.840 19.570 41.625 1.00 30.33 C +ATOM 269 C GLY A 60 5.484 18.128 41.327 1.00 30.98 C +ATOM 270 O GLY A 60 5.463 17.284 42.216 1.00 33.06 O +ATOM 271 N ARG A 61 5.210 17.842 40.062 1.00 30.98 N +ATOM 272 CA ARG A 61 4.836 16.499 39.659 1.00 29.21 C +ATOM 273 C ARG A 61 5.918 15.798 38.863 1.00 29.96 C +ATOM 274 O ARG A 61 6.028 14.574 38.889 1.00 30.63 O +ATOM 275 CB ARG A 61 3.563 16.555 38.824 1.00 27.92 C +ATOM 276 CG ARG A 61 2.301 16.670 39.641 1.00 31.34 C +ATOM 277 CD ARG A 61 1.095 16.880 38.749 1.00 34.94 C +ATOM 278 NE ARG A 61 -0.152 16.712 39.486 1.00 37.13 N +ATOM 279 CZ ARG A 61 -1.220 17.482 39.327 1.00 40.10 C +ATOM 280 NH1 ARG A 61 -1.191 18.481 38.458 1.00 45.27 N +ATOM 281 NH2 ARG A 61 -2.320 17.253 40.030 1.00 41.79 N +ATOM 282 N THR A 62 6.734 16.582 38.176 1.00 29.91 N +ATOM 283 CA THR A 62 7.771 16.022 37.326 1.00 29.48 C +ATOM 284 C THR A 62 9.213 16.172 37.794 1.00 30.21 C +ATOM 285 O THR A 62 10.107 15.569 37.197 1.00 30.91 O +ATOM 286 CB THR A 62 7.664 16.624 35.917 1.00 27.97 C +ATOM 287 OG1 THR A 62 7.805 18.046 36.000 1.00 30.88 O +ATOM 288 CG2 THR A 62 6.309 16.313 35.311 1.00 27.25 C +ATOM 289 N ILE A 63 9.450 16.945 38.853 1.00 30.42 N +ATOM 290 CA ILE A 63 10.818 17.153 39.318 1.00 31.02 C +ATOM 291 C ILE A 63 11.530 15.854 39.713 1.00 32.74 C +ATOM 292 O ILE A 63 12.684 15.633 39.329 1.00 32.74 O +ATOM 293 CB ILE A 63 10.883 18.199 40.474 1.00 30.76 C +ATOM 294 CG1 ILE A 63 12.302 18.758 40.568 1.00 32.80 C +ATOM 295 CG2 ILE A 63 10.479 17.589 41.804 1.00 30.03 C +ATOM 296 CD1 ILE A 63 12.770 19.436 39.277 1.00 33.15 C +ATOM 297 N ARG A 64 10.844 14.986 40.449 1.00 32.60 N +ATOM 298 CA ARG A 64 11.441 13.720 40.844 1.00 33.71 C +ATOM 299 C ARG A 64 11.958 13.005 39.597 1.00 35.19 C +ATOM 300 O ARG A 64 13.125 12.615 39.525 1.00 37.11 O +ATOM 301 CB ARG A 64 10.412 12.824 41.532 1.00 33.72 C +ATOM 302 CG ARG A 64 10.990 11.503 42.016 1.00 35.07 C +ATOM 303 CD ARG A 64 9.913 10.510 42.381 1.00 39.52 C +ATOM 304 NE ARG A 64 9.240 10.007 41.189 1.00 50.07 N +ATOM 305 CZ ARG A 64 9.835 9.280 40.245 1.00 52.90 C +ATOM 306 NH1 ARG A 64 11.121 8.962 40.354 1.00 55.61 N +ATOM 307 NH2 ARG A 64 9.148 8.875 39.184 1.00 53.61 N +ATOM 308 N SER A 65 11.074 12.836 38.618 1.00 34.97 N +ATOM 309 CA SER A 65 11.416 12.164 37.372 1.00 32.43 C +ATOM 310 C SER A 65 12.553 12.832 36.621 1.00 31.87 C +ATOM 311 O SER A 65 13.375 12.152 36.017 1.00 31.71 O +ATOM 312 CB SER A 65 10.192 12.085 36.464 1.00 32.32 C +ATOM 313 OG SER A 65 9.260 11.144 36.954 1.00 33.68 O +ATOM 314 N TYR A 66 12.592 14.160 36.646 1.00 32.84 N +ATOM 315 CA TYR A 66 13.646 14.895 35.950 1.00 34.80 C +ATOM 316 C TYR A 66 14.989 14.614 36.624 1.00 34.36 C +ATOM 317 O TYR A 66 16.004 14.425 35.951 1.00 33.94 O +ATOM 318 CB TYR A 66 13.361 16.403 35.973 1.00 34.27 C +ATOM 319 CG TYR A 66 14.295 17.221 35.097 1.00 33.30 C +ATOM 320 CD1 TYR A 66 14.047 17.379 33.730 1.00 34.81 C +ATOM 321 CD2 TYR A 66 15.428 17.833 35.630 1.00 33.79 C +ATOM 322 CE1 TYR A 66 14.903 18.128 32.916 1.00 32.03 C +ATOM 323 CE2 TYR A 66 16.291 18.582 34.827 1.00 31.91 C +ATOM 324 CZ TYR A 66 16.022 18.724 33.474 1.00 33.10 C +ATOM 325 OH TYR A 66 16.874 19.460 32.684 1.00 35.42 O +ATOM 326 N ARG A 67 14.971 14.598 37.955 1.00 33.70 N +ATOM 327 CA ARG A 67 16.150 14.330 38.769 1.00 34.26 C +ATOM 328 C ARG A 67 16.646 12.909 38.507 1.00 33.37 C +ATOM 329 O ARG A 67 17.847 12.668 38.391 1.00 33.14 O +ATOM 330 CB ARG A 67 15.792 14.495 40.251 1.00 37.11 C +ATOM 331 CG ARG A 67 16.848 14.023 41.260 1.00 42.58 C +ATOM 332 CD ARG A 67 18.043 14.966 41.338 1.00 46.46 C +ATOM 333 NE ARG A 67 18.849 14.752 42.543 1.00 49.87 N +ATOM 334 CZ ARG A 67 18.428 14.966 43.789 1.00 52.99 C +ATOM 335 NH1 ARG A 67 17.191 15.405 44.017 1.00 49.16 N +ATOM 336 NH2 ARG A 67 19.256 14.755 44.809 1.00 52.77 N +ATOM 337 N GLU A 68 15.717 11.968 38.405 1.00 33.46 N +ATOM 338 CA GLU A 68 16.073 10.575 38.159 1.00 34.22 C +ATOM 339 C GLU A 68 16.745 10.397 36.802 1.00 32.00 C +ATOM 340 O GLU A 68 17.732 9.668 36.680 1.00 30.27 O +ATOM 341 CB GLU A 68 14.827 9.696 38.226 1.00 39.18 C +ATOM 342 CG GLU A 68 15.060 8.416 38.988 1.00 49.13 C +ATOM 343 CD GLU A 68 15.611 8.684 40.379 1.00 54.52 C +ATOM 344 OE1 GLU A 68 14.925 9.375 41.174 1.00 54.71 O +ATOM 345 OE2 GLU A 68 16.733 8.208 40.670 1.00 55.55 O +ATOM 346 N LEU A 69 16.195 11.059 35.786 1.00 29.79 N +ATOM 347 CA LEU A 69 16.736 10.990 34.436 1.00 29.75 C +ATOM 348 C LEU A 69 18.176 11.517 34.411 1.00 30.39 C +ATOM 349 O LEU A 69 19.072 10.879 33.856 1.00 32.28 O +ATOM 350 CB LEU A 69 15.866 11.816 33.482 1.00 28.20 C +ATOM 351 CG LEU A 69 16.307 11.866 32.011 1.00 29.81 C +ATOM 352 CD1 LEU A 69 16.115 10.495 31.366 1.00 27.29 C +ATOM 353 CD2 LEU A 69 15.504 12.921 31.260 1.00 27.06 C +ATOM 354 N ALA A 70 18.385 12.684 35.017 1.00 29.88 N +ATOM 355 CA ALA A 70 19.700 13.312 35.074 1.00 29.81 C +ATOM 356 C ALA A 70 20.706 12.431 35.806 1.00 31.84 C +ATOM 357 O ALA A 70 21.840 12.277 35.349 1.00 33.76 O +ATOM 358 CB ALA A 70 19.602 14.668 35.751 1.00 26.06 C +ATOM 359 N ASP A 71 20.302 11.854 36.936 1.00 33.02 N +ATOM 360 CA ASP A 71 21.200 10.977 37.690 1.00 36.00 C +ATOM 361 C ASP A 71 21.595 9.787 36.824 1.00 35.55 C +ATOM 362 O ASP A 71 22.744 9.346 36.830 1.00 36.24 O +ATOM 363 CB ASP A 71 20.535 10.459 38.974 1.00 37.02 C +ATOM 364 CG ASP A 71 20.329 11.549 40.015 1.00 43.06 C +ATOM 365 OD1 ASP A 71 20.958 12.625 39.893 1.00 44.38 O +ATOM 366 OD2 ASP A 71 19.545 11.324 40.966 1.00 45.29 O +ATOM 367 N CYS A 72 20.629 9.277 36.074 1.00 33.94 N +ATOM 368 CA CYS A 72 20.861 8.138 35.203 1.00 35.04 C +ATOM 369 C CYS A 72 21.861 8.458 34.087 1.00 33.88 C +ATOM 370 O CYS A 72 22.756 7.661 33.797 1.00 34.37 O +ATOM 371 CB CYS A 72 19.527 7.678 34.612 1.00 35.52 C +ATOM 372 SG CYS A 72 19.586 6.159 33.616 1.00 40.36 S +ATOM 373 N THR A 73 21.718 9.617 33.457 1.00 31.50 N +ATOM 374 CA THR A 73 22.644 9.975 32.396 1.00 30.42 C +ATOM 375 C THR A 73 24.029 10.169 33.008 1.00 32.41 C +ATOM 376 O THR A 73 25.049 9.887 32.372 1.00 33.89 O +ATOM 377 CB THR A 73 22.217 11.274 31.689 1.00 29.13 C +ATOM 378 OG1 THR A 73 22.301 12.374 32.606 1.00 26.91 O +ATOM 379 CG2 THR A 73 20.790 11.144 31.168 1.00 28.39 C +ATOM 380 N TRP A 74 24.053 10.651 34.250 1.00 33.13 N +ATOM 381 CA TRP A 74 25.298 10.888 34.975 1.00 35.79 C +ATOM 382 C TRP A 74 25.939 9.560 35.365 1.00 37.09 C +ATOM 383 O TRP A 74 27.135 9.350 35.140 1.00 35.95 O +ATOM 384 CB TRP A 74 25.019 11.753 36.209 1.00 36.68 C +ATOM 385 CG TRP A 74 26.029 11.636 37.309 1.00 39.49 C +ATOM 386 CD1 TRP A 74 25.844 11.047 38.527 1.00 38.45 C +ATOM 387 CD2 TRP A 74 27.383 12.109 37.294 1.00 40.16 C +ATOM 388 NE1 TRP A 74 26.993 11.123 39.271 1.00 39.47 N +ATOM 389 CE2 TRP A 74 27.954 11.770 38.541 1.00 40.31 C +ATOM 390 CE3 TRP A 74 28.168 12.785 36.350 1.00 41.81 C +ATOM 391 CZ2 TRP A 74 29.279 12.084 38.868 1.00 40.48 C +ATOM 392 CZ3 TRP A 74 29.489 13.098 36.677 1.00 40.58 C +ATOM 393 CH2 TRP A 74 30.028 12.746 37.927 1.00 41.84 C +ATOM 394 N HIS A 75 25.140 8.660 35.933 1.00 39.77 N +ATOM 395 CA HIS A 75 25.640 7.344 36.319 1.00 42.09 C +ATOM 396 C HIS A 75 26.176 6.605 35.097 1.00 40.49 C +ATOM 397 O HIS A 75 27.259 6.022 35.141 1.00 40.59 O +ATOM 398 CB HIS A 75 24.537 6.501 36.971 1.00 46.71 C +ATOM 399 CG HIS A 75 24.139 6.972 38.335 1.00 52.91 C +ATOM 400 ND1 HIS A 75 25.003 7.650 39.171 1.00 56.38 N +ATOM 401 CD2 HIS A 75 22.980 6.836 39.023 1.00 55.42 C +ATOM 402 CE1 HIS A 75 24.392 7.912 40.312 1.00 58.17 C +ATOM 403 NE2 HIS A 75 23.163 7.428 40.249 1.00 58.09 N +ATOM 412 N ALA A 77 27.364 7.820 32.507 1.00 36.42 N +ATOM 413 CA ALA A 77 28.596 8.484 32.089 1.00 35.03 C +ATOM 414 C ALA A 77 29.770 8.010 32.943 1.00 35.20 C +ATOM 415 O ALA A 77 30.869 7.796 32.434 1.00 32.81 O +ATOM 416 CB ALA A 77 28.444 9.989 32.196 1.00 33.57 C +ATOM 417 N GLU A 78 29.546 7.854 34.244 1.00 37.36 N +ATOM 418 CA GLU A 78 30.607 7.371 35.119 1.00 41.22 C +ATOM 419 C GLU A 78 30.949 5.958 34.681 1.00 43.65 C +ATOM 420 O GLU A 78 32.097 5.662 34.348 1.00 44.69 O +ATOM 421 CB GLU A 78 30.149 7.341 36.572 1.00 42.96 C +ATOM 422 CG GLU A 78 29.895 8.694 37.174 1.00 46.44 C +ATOM 423 CD GLU A 78 29.678 8.605 38.663 1.00 51.95 C +ATOM 424 OE1 GLU A 78 30.651 8.292 39.382 1.00 54.62 O +ATOM 425 OE2 GLU A 78 28.535 8.836 39.116 1.00 56.76 O +ATOM 426 N LYS A 79 29.937 5.092 34.684 1.00 44.64 N +ATOM 427 CA LYS A 79 30.101 3.706 34.269 1.00 45.12 C +ATOM 428 C LYS A 79 30.983 3.594 33.033 1.00 43.16 C +ATOM 429 O LYS A 79 32.004 2.917 33.057 1.00 44.46 O +ATOM 430 CB LYS A 79 28.738 3.075 33.971 1.00 49.46 C +ATOM 431 CG LYS A 79 28.012 2.531 35.193 1.00 56.79 C +ATOM 432 CD LYS A 79 28.706 1.290 35.754 1.00 61.63 C +ATOM 433 CE LYS A 79 28.664 0.124 34.763 1.00 63.99 C +ATOM 434 NZ LYS A 79 29.375 -1.090 35.272 1.00 63.48 N +ATOM 435 N LEU A 80 30.596 4.268 31.956 1.00 40.20 N +ATOM 436 CA LEU A 80 31.365 4.206 30.720 1.00 38.12 C +ATOM 437 C LEU A 80 32.619 5.084 30.705 1.00 37.45 C +ATOM 438 O LEU A 80 33.404 5.048 29.755 1.00 34.96 O +ATOM 439 CB LEU A 80 30.466 4.549 29.528 1.00 36.57 C +ATOM 440 CG LEU A 80 29.260 3.628 29.303 1.00 37.74 C +ATOM 441 CD1 LEU A 80 28.795 3.736 27.859 1.00 35.91 C +ATOM 442 CD2 LEU A 80 29.644 2.188 29.606 1.00 38.14 C +ATOM 443 N GLY A 81 32.809 5.867 31.760 1.00 37.09 N +ATOM 444 CA GLY A 81 33.971 6.735 31.831 1.00 35.92 C +ATOM 445 C GLY A 81 33.968 7.846 30.796 1.00 36.53 C +ATOM 446 O GLY A 81 35.025 8.241 30.311 1.00 36.25 O +ATOM 447 N CYS A 82 32.783 8.348 30.456 1.00 36.26 N +ATOM 448 CA CYS A 82 32.654 9.422 29.476 1.00 35.52 C +ATOM 449 C CYS A 82 33.096 10.712 30.115 1.00 34.27 C +ATOM 450 O CYS A 82 33.387 10.749 31.310 1.00 34.74 O +ATOM 451 CB CYS A 82 31.195 9.584 29.029 1.00 38.47 C +ATOM 452 SG CYS A 82 30.507 8.107 28.230 1.00 44.55 S +ATOM 453 N PHE A 83 33.154 11.770 29.317 1.00 32.39 N +ATOM 454 CA PHE A 83 33.516 13.077 29.836 1.00 29.73 C +ATOM 455 C PHE A 83 32.220 13.681 30.380 1.00 29.62 C +ATOM 456 O PHE A 83 31.127 13.183 30.098 1.00 29.49 O +ATOM 457 CB PHE A 83 34.066 13.978 28.726 1.00 28.12 C +ATOM 458 CG PHE A 83 35.408 13.555 28.198 1.00 29.09 C +ATOM 459 CD1 PHE A 83 36.477 13.338 29.064 1.00 28.54 C +ATOM 460 CD2 PHE A 83 35.615 13.413 26.829 1.00 29.03 C +ATOM 461 CE1 PHE A 83 37.735 12.989 28.574 1.00 27.90 C +ATOM 462 CE2 PHE A 83 36.871 13.062 26.327 1.00 29.58 C +ATOM 463 CZ PHE A 83 37.933 12.850 27.202 1.00 26.63 C +ATOM 464 N TRP A 84 32.337 14.743 31.163 1.00 28.00 N +ATOM 465 CA TRP A 84 31.161 15.395 31.701 1.00 26.37 C +ATOM 466 C TRP A 84 31.409 16.894 31.763 1.00 27.48 C +ATOM 467 O TRP A 84 32.333 17.352 32.428 1.00 30.08 O +ATOM 468 CB TRP A 84 30.824 14.843 33.089 1.00 24.79 C +ATOM 469 CG TRP A 84 29.484 15.303 33.570 1.00 26.71 C +ATOM 470 CD1 TRP A 84 29.218 16.398 34.350 1.00 25.35 C +ATOM 471 CD2 TRP A 84 28.209 14.730 33.233 1.00 24.64 C +ATOM 472 NE1 TRP A 84 27.859 16.542 34.511 1.00 26.70 N +ATOM 473 CE2 TRP A 84 27.217 15.536 33.836 1.00 25.24 C +ATOM 474 CE3 TRP A 84 27.809 13.622 32.470 1.00 22.97 C +ATOM 475 CZ2 TRP A 84 25.847 15.258 33.708 1.00 25.49 C +ATOM 476 CZ3 TRP A 84 26.447 13.348 32.341 1.00 21.48 C +ATOM 477 CH2 TRP A 84 25.485 14.165 32.954 1.00 21.50 C +ATOM 478 N PRO A 85 30.618 17.675 31.012 1.00 27.12 N +ATOM 479 CA PRO A 85 29.551 17.160 30.144 1.00 25.94 C +ATOM 480 C PRO A 85 30.144 16.593 28.848 1.00 27.64 C +ATOM 481 O PRO A 85 31.361 16.438 28.722 1.00 26.21 O +ATOM 482 CB PRO A 85 28.697 18.399 29.891 1.00 24.63 C +ATOM 483 CG PRO A 85 29.731 19.504 29.870 1.00 21.34 C +ATOM 484 CD PRO A 85 30.615 19.151 31.044 1.00 23.29 C +ATOM 485 N ASN A 86 29.279 16.281 27.890 1.00 27.84 N +ATOM 486 CA ASN A 86 29.719 15.769 26.598 1.00 26.02 C +ATOM 487 C ASN A 86 28.612 16.037 25.583 1.00 27.11 C +ATOM 488 O ASN A 86 27.436 16.156 25.948 1.00 28.54 O +ATOM 489 CB ASN A 86 30.052 14.275 26.698 1.00 22.74 C +ATOM 490 CG ASN A 86 28.880 13.445 27.145 1.00 24.40 C +ATOM 491 OD1 ASN A 86 27.919 13.262 26.403 1.00 23.62 O +ATOM 492 ND2 ASN A 86 28.948 12.936 28.370 1.00 25.71 N +ATOM 493 N ALA A 87 28.985 16.142 24.312 1.00 25.48 N +ATOM 494 CA ALA A 87 28.024 16.448 23.258 1.00 24.27 C +ATOM 495 C ALA A 87 26.790 15.557 23.210 1.00 24.33 C +ATOM 496 O ALA A 87 25.692 16.028 22.918 1.00 27.34 O +ATOM 497 CB ALA A 87 28.726 16.448 21.899 1.00 21.41 C +ATOM 498 N GLU A 88 26.962 14.277 23.505 1.00 24.45 N +ATOM 499 CA GLU A 88 25.852 13.339 23.463 1.00 24.74 C +ATOM 500 C GLU A 88 24.789 13.647 24.518 1.00 25.42 C +ATOM 501 O GLU A 88 23.612 13.798 24.188 1.00 23.00 O +ATOM 502 CB GLU A 88 26.379 11.909 23.632 1.00 27.01 C +ATOM 503 CG GLU A 88 25.365 10.820 23.353 1.00 30.87 C +ATOM 504 CD GLU A 88 24.760 10.931 21.966 1.00 35.10 C +ATOM 505 OE1 GLU A 88 25.533 11.038 20.986 1.00 35.14 O +ATOM 506 OE2 GLU A 88 23.513 10.909 21.858 1.00 38.39 O +ATOM 507 N VAL A 89 25.194 13.750 25.782 1.00 24.62 N +ATOM 508 CA VAL A 89 24.232 14.036 26.836 1.00 26.53 C +ATOM 509 C VAL A 89 23.621 15.422 26.623 1.00 27.45 C +ATOM 510 O VAL A 89 22.444 15.648 26.925 1.00 25.71 O +ATOM 511 CB VAL A 89 24.882 13.952 28.251 1.00 29.53 C +ATOM 512 CG1 VAL A 89 25.956 15.020 28.419 1.00 29.25 C +ATOM 513 CG2 VAL A 89 23.802 14.111 29.317 1.00 30.93 C +ATOM 514 N ASP A 90 24.439 16.338 26.104 1.00 27.77 N +ATOM 515 CA ASP A 90 24.016 17.701 25.799 1.00 26.64 C +ATOM 516 C ASP A 90 22.816 17.647 24.872 1.00 25.69 C +ATOM 517 O ASP A 90 21.777 18.257 25.135 1.00 27.12 O +ATOM 518 CB ASP A 90 25.139 18.453 25.084 1.00 28.28 C +ATOM 519 CG ASP A 90 25.953 19.326 26.016 1.00 31.06 C +ATOM 520 OD1 ASP A 90 25.799 19.195 27.256 1.00 33.14 O +ATOM 521 OD2 ASP A 90 26.753 20.138 25.497 1.00 28.08 O +ATOM 522 N ARG A 91 22.979 16.908 23.781 1.00 23.35 N +ATOM 523 CA ARG A 91 21.931 16.758 22.784 1.00 24.77 C +ATOM 524 C ARG A 91 20.729 16.004 23.342 1.00 24.55 C +ATOM 525 O ARG A 91 19.586 16.295 22.989 1.00 24.56 O +ATOM 526 CB ARG A 91 22.484 16.022 21.566 1.00 23.52 C +ATOM 527 CG ARG A 91 21.536 15.955 20.388 1.00 25.86 C +ATOM 528 CD ARG A 91 22.243 15.365 19.175 1.00 29.25 C +ATOM 529 NE ARG A 91 22.696 13.992 19.408 1.00 30.99 N +ATOM 530 CZ ARG A 91 23.325 13.251 18.499 1.00 30.60 C +ATOM 531 NH1 ARG A 91 23.583 13.745 17.296 1.00 28.10 N +ATOM 532 NH2 ARG A 91 23.685 12.009 18.785 1.00 31.57 N +ATOM 533 N PHE A 92 20.995 15.034 24.211 1.00 25.82 N +ATOM 534 CA PHE A 92 19.939 14.232 24.821 1.00 26.86 C +ATOM 535 C PHE A 92 18.979 15.121 25.590 1.00 27.68 C +ATOM 536 O PHE A 92 17.773 15.056 25.389 1.00 30.04 O +ATOM 537 CB PHE A 92 20.539 13.207 25.782 1.00 27.65 C +ATOM 538 CG PHE A 92 19.529 12.279 26.385 1.00 27.90 C +ATOM 539 CD1 PHE A 92 19.039 11.199 25.659 1.00 29.18 C +ATOM 540 CD2 PHE A 92 19.074 12.474 27.686 1.00 27.58 C +ATOM 541 CE1 PHE A 92 18.111 10.322 26.219 1.00 29.00 C +ATOM 542 CE2 PHE A 92 18.143 11.601 28.258 1.00 28.79 C +ATOM 543 CZ PHE A 92 17.663 10.523 27.526 1.00 27.75 C +ATOM 544 N PHE A 93 19.518 15.955 26.474 1.00 29.51 N +ATOM 545 CA PHE A 93 18.678 16.844 27.264 1.00 29.13 C +ATOM 546 C PHE A 93 18.004 17.904 26.418 1.00 28.88 C +ATOM 547 O PHE A 93 16.896 18.343 26.731 1.00 29.45 O +ATOM 548 CB PHE A 93 19.484 17.471 28.405 1.00 29.41 C +ATOM 549 CG PHE A 93 19.453 16.652 29.658 1.00 29.48 C +ATOM 550 CD1 PHE A 93 18.307 16.627 30.450 1.00 29.15 C +ATOM 551 CD2 PHE A 93 20.507 15.803 29.977 1.00 31.80 C +ATOM 552 CE1 PHE A 93 18.204 15.762 31.539 1.00 30.08 C +ATOM 553 CE2 PHE A 93 20.417 14.927 31.068 1.00 30.98 C +ATOM 554 CZ PHE A 93 19.261 14.904 31.848 1.00 31.02 C +ATOM 555 N LEU A 94 18.653 18.305 25.333 1.00 27.49 N +ATOM 556 CA LEU A 94 18.036 19.289 24.468 1.00 28.16 C +ATOM 557 C LEU A 94 16.744 18.658 23.944 1.00 27.70 C +ATOM 558 O LEU A 94 15.705 19.317 23.853 1.00 28.73 O +ATOM 559 CB LEU A 94 18.958 19.642 23.302 1.00 29.51 C +ATOM 560 CG LEU A 94 18.978 21.149 23.030 1.00 30.85 C +ATOM 561 CD1 LEU A 94 19.718 21.831 24.169 1.00 29.78 C +ATOM 562 CD2 LEU A 94 19.648 21.454 21.711 1.00 32.30 C +ATOM 563 N ALA A 95 16.822 17.369 23.625 1.00 25.96 N +ATOM 564 CA ALA A 95 15.688 16.618 23.107 1.00 24.20 C +ATOM 565 C ALA A 95 14.560 16.465 24.137 1.00 24.97 C +ATOM 566 O ALA A 95 13.380 16.662 23.815 1.00 23.69 O +ATOM 567 CB ALA A 95 16.155 15.256 22.639 1.00 22.12 C +ATOM 568 N VAL A 96 14.922 16.115 25.370 1.00 22.11 N +ATOM 569 CA VAL A 96 13.937 15.949 26.427 1.00 19.13 C +ATOM 570 C VAL A 96 13.205 17.260 26.673 1.00 20.92 C +ATOM 571 O VAL A 96 11.987 17.278 26.870 1.00 20.45 O +ATOM 572 CB VAL A 96 14.606 15.476 27.737 1.00 19.99 C +ATOM 573 CG1 VAL A 96 13.615 15.537 28.894 1.00 20.76 C +ATOM 574 CG2 VAL A 96 15.096 14.058 27.571 1.00 18.64 C +ATOM 575 N HIS A 97 13.953 18.360 26.660 1.00 23.07 N +ATOM 576 CA HIS A 97 13.368 19.681 26.872 1.00 23.41 C +ATOM 577 C HIS A 97 12.444 20.030 25.718 1.00 23.80 C +ATOM 578 O HIS A 97 11.331 20.516 25.932 1.00 24.03 O +ATOM 579 CB HIS A 97 14.458 20.744 26.985 1.00 22.84 C +ATOM 580 CG HIS A 97 15.210 20.704 28.276 1.00 25.65 C +ATOM 581 ND1 HIS A 97 16.140 21.659 28.625 1.00 26.15 N +ATOM 582 CD2 HIS A 97 15.166 19.827 29.308 1.00 24.36 C +ATOM 583 CE1 HIS A 97 16.634 21.374 29.815 1.00 24.33 C +ATOM 584 NE2 HIS A 97 16.060 20.267 30.252 1.00 24.28 N +ATOM 585 N GLY A 98 12.913 19.774 24.499 1.00 22.12 N +ATOM 586 CA GLY A 98 12.122 20.061 23.322 1.00 24.39 C +ATOM 587 C GLY A 98 10.810 19.296 23.226 1.00 28.40 C +ATOM 588 O GLY A 98 9.896 19.752 22.541 1.00 32.33 O +ATOM 589 N ARG A 99 10.698 18.147 23.893 1.00 29.53 N +ATOM 590 CA ARG A 99 9.467 17.366 23.823 1.00 29.93 C +ATOM 591 C ARG A 99 8.618 17.360 25.089 1.00 28.79 C +ATOM 592 O ARG A 99 7.400 17.445 25.018 1.00 30.30 O +ATOM 593 CB ARG A 99 9.760 15.909 23.451 1.00 35.58 C +ATOM 594 CG ARG A 99 8.494 15.144 23.055 1.00 41.46 C +ATOM 595 CD ARG A 99 8.410 13.733 23.626 1.00 46.70 C +ATOM 596 NE ARG A 99 9.285 12.775 22.954 1.00 52.51 N +ATOM 597 CZ ARG A 99 8.940 11.517 22.673 1.00 56.84 C +ATOM 598 NH1 ARG A 99 7.732 11.058 22.998 1.00 54.62 N +ATOM 599 NH2 ARG A 99 9.809 10.708 22.078 1.00 57.03 N +ATOM 600 N TYR A 100 9.249 17.247 26.249 1.00 29.19 N +ATOM 601 CA TYR A 100 8.500 17.198 27.500 1.00 27.86 C +ATOM 602 C TYR A 100 8.325 18.523 28.211 1.00 28.61 C +ATOM 603 O TYR A 100 7.297 18.763 28.826 1.00 29.25 O +ATOM 604 CB TYR A 100 9.169 16.217 28.450 1.00 27.52 C +ATOM 605 CG TYR A 100 9.215 14.820 27.899 1.00 29.01 C +ATOM 606 CD1 TYR A 100 8.167 13.932 28.114 1.00 26.90 C +ATOM 607 CD2 TYR A 100 10.291 14.399 27.118 1.00 29.64 C +ATOM 608 CE1 TYR A 100 8.187 12.662 27.565 1.00 30.79 C +ATOM 609 CE2 TYR A 100 10.320 13.136 26.564 1.00 30.46 C +ATOM 610 CZ TYR A 100 9.265 12.269 26.788 1.00 30.61 C +ATOM 611 OH TYR A 100 9.286 11.016 26.220 1.00 33.84 O +ATOM 612 N PHE A 101 9.315 19.398 28.114 1.00 29.47 N +ATOM 613 CA PHE A 101 9.232 20.669 28.811 1.00 30.11 C +ATOM 614 C PHE A 101 9.249 21.868 27.891 1.00 31.15 C +ATOM 615 O PHE A 101 10.174 22.671 27.896 1.00 33.30 O +ATOM 616 CB PHE A 101 10.363 20.733 29.828 1.00 28.18 C +ATOM 617 CG PHE A 101 10.449 19.508 30.683 1.00 28.97 C +ATOM 618 CD1 PHE A 101 9.401 19.171 31.547 1.00 28.27 C +ATOM 619 CD2 PHE A 101 11.544 18.652 30.591 1.00 29.30 C +ATOM 620 CE1 PHE A 101 9.447 17.998 32.306 1.00 29.72 C +ATOM 621 CE2 PHE A 101 11.597 17.470 31.351 1.00 28.98 C +ATOM 622 CZ PHE A 101 10.549 17.145 32.205 1.00 27.80 C +ATOM 623 N ARG A 102 8.188 21.990 27.110 1.00 35.53 N +ATOM 624 CA ARG A 102 8.060 23.083 26.169 1.00 39.35 C +ATOM 625 C ARG A 102 7.023 24.094 26.684 1.00 38.08 C +ATOM 626 O ARG A 102 5.899 23.722 27.029 1.00 39.30 O +ATOM 627 CB ARG A 102 7.653 22.515 24.795 1.00 41.87 C +ATOM 628 CG ARG A 102 8.019 23.410 23.612 1.00 50.13 C +ATOM 629 CD ARG A 102 7.832 22.730 22.240 1.00 52.69 C +ATOM 630 NE ARG A 102 6.445 22.363 21.965 1.00 55.50 N +ATOM 631 CZ ARG A 102 5.912 21.183 22.260 1.00 58.02 C +ATOM 632 NH1 ARG A 102 6.654 20.249 22.840 1.00 58.29 N +ATOM 633 NH2 ARG A 102 4.639 20.937 21.971 1.00 59.70 N +ATOM 634 N SER A 103 7.419 25.361 26.771 1.00 33.72 N +ATOM 635 CA SER A 103 6.513 26.421 27.206 1.00 33.36 C +ATOM 636 C SER A 103 6.090 26.364 28.672 1.00 32.85 C +ATOM 637 O SER A 103 4.970 26.744 29.020 1.00 30.97 O +ATOM 638 CB SER A 103 5.265 26.414 26.327 1.00 33.67 C +ATOM 639 OG SER A 103 5.620 26.411 24.956 1.00 38.84 O +ATOM 640 N CYS A 104 6.993 25.913 29.532 1.00 32.32 N +ATOM 641 CA CYS A 104 6.714 25.812 30.959 1.00 30.40 C +ATOM 642 C CYS A 104 6.872 27.173 31.639 1.00 30.38 C +ATOM 643 O CYS A 104 7.902 27.822 31.497 1.00 30.24 O +ATOM 644 CB CYS A 104 7.660 24.796 31.581 1.00 28.90 C +ATOM 645 SG CYS A 104 7.385 23.080 31.024 1.00 28.89 S +ATOM 646 N PRO A 105 5.851 27.617 32.398 1.00 30.73 N +ATOM 647 CA PRO A 105 5.878 28.910 33.095 1.00 31.23 C +ATOM 648 C PRO A 105 6.768 28.987 34.340 1.00 33.17 C +ATOM 649 O PRO A 105 7.128 27.974 34.939 1.00 31.67 O +ATOM 650 CB PRO A 105 4.404 29.144 33.477 1.00 27.86 C +ATOM 651 CG PRO A 105 3.630 28.116 32.721 1.00 28.02 C +ATOM 652 CD PRO A 105 4.562 26.946 32.625 1.00 30.13 C +ATOM 653 N ILE A 106 7.109 30.213 34.715 1.00 34.60 N +ATOM 654 CA ILE A 106 7.886 30.471 35.913 1.00 36.15 C +ATOM 655 C ILE A 106 6.873 31.103 36.875 1.00 39.57 C +ATOM 656 O ILE A 106 6.366 32.197 36.615 1.00 39.08 O +ATOM 657 CB ILE A 106 9.024 31.487 35.652 1.00 35.71 C +ATOM 658 CG1 ILE A 106 9.963 30.970 34.560 1.00 35.05 C +ATOM 659 CG2 ILE A 106 9.801 31.738 36.940 1.00 35.95 C +ATOM 660 CD1 ILE A 106 11.114 31.916 34.247 1.00 29.87 C +ATOM 661 N SER A 107 6.567 30.411 37.970 1.00 42.31 N +ATOM 662 CA SER A 107 5.606 30.909 38.959 1.00 45.66 C +ATOM 663 C SER A 107 5.738 32.408 39.254 1.00 49.22 C +ATOM 664 O SER A 107 4.712 33.031 39.613 1.00 50.34 O +ATOM 665 CB SER A 107 5.740 30.130 40.267 1.00 42.41 C +ATOM 666 OG SER A 107 6.989 30.395 40.869 1.00 39.77 O Added: SwiftApps/modFTdock/input/2yy0-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2yy0-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2yy0-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,748 @@ +ATOM 1 N PRO A 57 3.312 12.171 86.142 1.00 74.07 N +ATOM 2 CA PRO A 57 4.449 12.332 87.089 1.00 73.05 C +ATOM 3 C PRO A 57 5.372 13.466 86.654 1.00 71.61 C +ATOM 4 O PRO A 57 5.672 13.598 85.475 1.00 71.25 O +ATOM 5 CB PRO A 57 5.202 11.005 87.107 1.00 74.07 C +ATOM 6 CG PRO A 57 4.096 10.012 86.672 1.00 74.38 C +ATOM 7 CD PRO A 57 3.263 10.784 85.635 1.00 74.23 C +ATOM 8 N GLU A 58 5.820 14.282 87.606 1.00 72.19 N +ATOM 9 CA GLU A 58 6.723 15.404 87.307 1.00 71.04 C +ATOM 10 C GLU A 58 8.140 14.915 86.976 1.00 68.71 C +ATOM 11 O GLU A 58 9.132 15.329 87.593 1.00 68.59 O +ATOM 12 CB GLU A 58 6.784 16.389 88.483 1.00 73.34 C +ATOM 13 CG GLU A 58 5.462 17.084 88.808 1.00 75.99 C +ATOM 14 CD GLU A 58 4.959 17.964 87.677 1.00 78.02 C +ATOM 15 OE1 GLU A 58 3.950 18.670 87.880 1.00 77.73 O +ATOM 16 OE2 GLU A 58 5.563 17.951 86.585 1.00 78.85 O +ATOM 17 N ASN A 59 8.214 14.026 85.992 1.00 64.36 N +ATOM 18 CA ASN A 59 9.468 13.461 85.527 1.00 59.97 C +ATOM 19 C ASN A 59 9.746 14.149 84.205 1.00 55.94 C +ATOM 20 O ASN A 59 8.860 14.260 83.362 1.00 55.27 O +ATOM 21 CB ASN A 59 9.307 11.945 85.317 1.00 60.42 C +ATOM 22 CG ASN A 59 10.525 11.288 84.665 1.00 59.65 C +ATOM 23 OD1 ASN A 59 10.588 10.067 84.572 1.00 60.52 O +ATOM 24 ND2 ASN A 59 11.482 12.087 84.209 1.00 60.04 N +ATOM 25 N PRO A 60 10.970 14.654 84.022 1.00 52.70 N +ATOM 26 CA PRO A 60 11.283 15.319 82.763 1.00 51.03 C +ATOM 27 C PRO A 60 11.077 14.406 81.544 1.00 49.95 C +ATOM 28 O PRO A 60 10.453 14.812 80.565 1.00 50.18 O +ATOM 29 CB PRO A 60 12.729 15.750 82.971 1.00 51.56 C +ATOM 30 CG PRO A 60 12.746 16.079 84.446 1.00 48.11 C +ATOM 31 CD PRO A 60 12.026 14.900 85.021 1.00 52.00 C +ATOM 32 N GLU A 61 11.556 13.168 81.610 1.00 49.33 N +ATOM 33 CA GLU A 61 11.400 12.242 80.483 1.00 48.44 C +ATOM 34 C GLU A 61 9.938 11.955 80.125 1.00 45.12 C +ATOM 35 O GLU A 61 9.568 11.905 78.948 1.00 44.82 O +ATOM 36 CB GLU A 61 12.117 10.924 80.774 1.00 52.04 C +ATOM 37 CG GLU A 61 12.135 9.976 79.588 1.00 56.72 C +ATOM 38 CD GLU A 61 12.631 10.663 78.323 1.00 63.16 C +ATOM 39 OE1 GLU A 61 13.654 11.386 78.408 1.00 65.37 O +ATOM 40 OE2 GLU A 61 12.004 10.480 77.252 1.00 62.67 O +ATOM 41 N ILE A 62 9.118 11.748 81.147 1.00 41.67 N +ATOM 42 CA ILE A 62 7.699 11.490 80.968 1.00 37.81 C +ATOM 43 C ILE A 62 7.016 12.722 80.369 1.00 37.74 C +ATOM 44 O ILE A 62 6.290 12.613 79.372 1.00 37.01 O +ATOM 45 CB ILE A 62 7.067 11.119 82.329 1.00 39.28 C +ATOM 46 CG1 ILE A 62 7.462 9.677 82.666 1.00 40.05 C +ATOM 47 CG2 ILE A 62 5.543 11.345 82.322 1.00 35.39 C +ATOM 48 CD1 ILE A 62 7.103 9.224 84.064 1.00 43.78 C +ATOM 49 N GLU A 63 7.260 13.892 80.967 1.00 36.15 N +ATOM 50 CA GLU A 63 6.685 15.137 80.482 1.00 34.68 C +ATOM 51 C GLU A 63 7.137 15.425 79.058 1.00 35.37 C +ATOM 52 O GLU A 63 6.356 15.934 78.260 1.00 35.26 O +ATOM 53 CB GLU A 63 7.072 16.312 81.391 1.00 39.20 C +ATOM 54 CG GLU A 63 6.349 16.357 82.735 1.00 41.17 C +ATOM 55 CD GLU A 63 4.870 15.961 82.646 1.00 46.52 C +ATOM 56 OE1 GLU A 63 4.186 16.311 81.653 1.00 49.28 O +ATOM 57 OE2 GLU A 63 4.386 15.302 83.587 1.00 48.31 O +ATOM 58 N LEU A 64 8.394 15.118 78.738 1.00 34.09 N +ATOM 59 CA LEU A 64 8.911 15.324 77.376 1.00 35.24 C +ATOM 60 C LEU A 64 8.083 14.430 76.432 1.00 36.63 C +ATOM 61 O LEU A 64 7.605 14.873 75.380 1.00 37.73 O +ATOM 62 CB LEU A 64 10.405 14.933 77.288 1.00 35.11 C +ATOM 63 CG LEU A 64 11.152 15.119 75.954 1.00 35.33 C +ATOM 64 CD1 LEU A 64 12.553 14.578 76.065 1.00 37.14 C +ATOM 65 CD2 LEU A 64 10.455 14.373 74.851 1.00 41.02 C +ATOM 66 N LEU A 65 7.915 13.170 76.801 1.00 35.01 N +ATOM 67 CA LEU A 65 7.106 12.279 75.971 1.00 36.73 C +ATOM 68 C LEU A 65 5.689 12.814 75.784 1.00 35.26 C +ATOM 69 O LEU A 65 5.120 12.684 74.704 1.00 35.00 O +ATOM 70 CB LEU A 65 7.027 10.888 76.594 1.00 35.24 C +ATOM 71 CG LEU A 65 7.843 9.784 75.931 1.00 39.11 C +ATOM 72 CD1 LEU A 65 9.195 10.285 75.501 1.00 39.81 C +ATOM 73 CD2 LEU A 65 7.983 8.638 76.915 1.00 40.61 C +ATOM 74 N ARG A 66 5.111 13.404 76.830 1.00 35.13 N +ATOM 75 CA ARG A 66 3.750 13.921 76.701 1.00 36.92 C +ATOM 76 C ARG A 66 3.727 15.103 75.759 1.00 36.41 C +ATOM 77 O ARG A 66 2.736 15.332 75.071 1.00 38.76 O +ATOM 78 CB ARG A 66 3.178 14.360 78.047 1.00 34.71 C +ATOM 79 CG ARG A 66 2.855 13.245 78.996 1.00 37.50 C +ATOM 80 CD ARG A 66 2.194 13.829 80.248 1.00 43.71 C +ATOM 81 NE ARG A 66 2.175 12.877 81.351 1.00 46.91 N +ATOM 82 CZ ARG A 66 1.430 11.779 81.378 1.00 49.94 C +ATOM 83 NH1 ARG A 66 0.626 11.491 80.359 1.00 50.37 N +ATOM 84 NH2 ARG A 66 1.511 10.952 82.414 1.00 49.18 N +ATOM 85 N LEU A 67 4.827 15.848 75.725 1.00 37.87 N +ATOM 86 CA LEU A 67 4.922 17.015 74.858 1.00 38.76 C +ATOM 87 C LEU A 67 4.985 16.581 73.397 1.00 36.01 C +ATOM 88 O LEU A 67 4.351 17.180 72.531 1.00 36.97 O +ATOM 89 CB LEU A 67 6.143 17.867 75.229 1.00 37.40 C +ATOM 90 CG LEU A 67 6.449 19.038 74.288 1.00 38.76 C +ATOM 91 CD1 LEU A 67 5.192 19.899 74.107 1.00 35.17 C +ATOM 92 CD2 LEU A 67 7.605 19.869 74.860 1.00 39.00 C +ATOM 93 N GLU A 68 5.737 15.532 73.126 1.00 36.84 N +ATOM 94 CA GLU A 68 5.836 15.006 71.769 1.00 38.54 C +ATOM 95 C GLU A 68 4.494 14.411 71.361 1.00 35.54 C +ATOM 96 O GLU A 68 4.044 14.610 70.241 1.00 35.06 O +ATOM 97 CB GLU A 68 6.915 13.931 71.681 1.00 39.15 C +ATOM 98 CG GLU A 68 8.327 14.469 71.555 1.00 43.17 C +ATOM 99 CD GLU A 68 9.366 13.443 71.974 1.00 48.03 C +ATOM 100 OE1 GLU A 68 8.971 12.349 72.429 1.00 49.11 O +ATOM 101 OE2 GLU A 68 10.575 13.729 71.864 1.00 51.67 O +ATOM 102 N LEU A 69 3.843 13.702 72.272 1.00 33.15 N +ATOM 103 CA LEU A 69 2.543 13.111 71.932 1.00 36.17 C +ATOM 104 C LEU A 69 1.541 14.216 71.569 1.00 35.14 C +ATOM 105 O LEU A 69 0.785 14.109 70.599 1.00 34.37 O +ATOM 106 CB LEU A 69 2.022 12.279 73.107 1.00 34.25 C +ATOM 107 CG LEU A 69 0.708 11.528 72.906 1.00 38.43 C +ATOM 108 CD1 LEU A 69 0.791 10.682 71.634 1.00 36.80 C +ATOM 109 CD2 LEU A 69 0.393 10.683 74.150 1.00 33.22 C +ATOM 110 N ALA A 70 1.575 15.296 72.335 1.00 36.01 N +ATOM 111 CA ALA A 70 0.687 16.430 72.114 1.00 35.76 C +ATOM 112 C ALA A 70 0.962 17.140 70.793 1.00 35.97 C +ATOM 113 O ALA A 70 0.037 17.631 70.144 1.00 35.45 O +ATOM 114 CB ALA A 70 0.820 17.411 73.282 1.00 37.16 C +ATOM 115 N GLU A 71 2.235 17.207 70.403 1.00 37.95 N +ATOM 116 CA GLU A 71 2.635 17.846 69.147 1.00 40.22 C +ATOM 117 C GLU A 71 2.175 17.021 67.952 1.00 40.17 C +ATOM 118 O GLU A 71 1.631 17.557 66.981 1.00 38.36 O +ATOM 119 CB GLU A 71 4.157 17.998 69.063 1.00 43.44 C +ATOM 120 CG GLU A 71 4.713 19.227 69.748 1.00 51.21 C +ATOM 121 CD GLU A 71 6.154 19.490 69.354 1.00 56.18 C +ATOM 122 OE1 GLU A 71 7.050 18.756 69.829 1.00 59.96 O +ATOM 123 OE2 GLU A 71 6.392 20.424 68.556 1.00 57.24 O +ATOM 124 N MET A 72 2.427 15.717 68.017 1.00 39.00 N +ATOM 125 CA MET A 72 2.022 14.813 66.942 1.00 40.63 C +ATOM 126 C MET A 72 0.507 14.876 66.771 1.00 39.50 C +ATOM 127 O MET A 72 0.005 14.808 65.659 1.00 41.65 O +ATOM 128 CB MET A 72 2.437 13.364 67.254 1.00 39.44 C +ATOM 129 CG MET A 72 2.191 12.375 66.100 1.00 38.27 C +ATOM 130 SD MET A 72 3.122 12.791 64.588 1.00 38.28 S +ATOM 131 CE MET A 72 4.647 11.990 64.918 1.00 42.70 C +ATOM 132 N LYS A 73 -0.210 15.012 67.877 1.00 39.62 N +ATOM 133 CA LYS A 73 -1.657 15.071 67.833 1.00 44.10 C +ATOM 134 C LYS A 73 -2.108 16.394 67.204 1.00 45.80 C +ATOM 135 O LYS A 73 -3.106 16.442 66.489 1.00 46.73 O +ATOM 136 CB LYS A 73 -2.224 14.940 69.249 1.00 44.82 C +ATOM 137 CG LYS A 73 -3.595 14.277 69.317 1.00 50.36 C +ATOM 138 CD LYS A 73 -4.632 14.985 68.433 1.00 53.95 C +ATOM 139 CE LYS A 73 -5.965 14.213 68.351 1.00 53.56 C +ATOM 140 NZ LYS A 73 -6.659 14.093 69.671 1.00 54.23 N +ATOM 141 N GLU A 74 -1.368 17.464 67.477 1.00 47.85 N +ATOM 142 CA GLU A 74 -1.685 18.775 66.933 1.00 47.88 C +ATOM 143 C GLU A 74 -1.397 18.749 65.439 1.00 47.06 C +ATOM 144 O GLU A 74 -2.130 19.341 64.652 1.00 44.70 O +ATOM 145 CB GLU A 74 -0.836 19.852 67.608 1.00 51.50 C +ATOM 146 CG GLU A 74 -1.145 21.278 67.164 1.00 56.67 C +ATOM 147 CD GLU A 74 0.018 22.237 67.429 1.00 62.71 C +ATOM 148 OE1 GLU A 74 1.122 21.993 66.881 1.00 65.72 O +ATOM 149 OE2 GLU A 74 -0.164 23.230 68.175 1.00 62.81 O +ATOM 150 N LYS A 75 -0.327 18.068 65.043 1.00 47.21 N +ATOM 151 CA LYS A 75 0.003 17.970 63.624 1.00 49.40 C +ATOM 152 C LYS A 75 -1.057 17.117 62.933 1.00 50.96 C +ATOM 153 O LYS A 75 -1.336 17.280 61.750 1.00 53.68 O +ATOM 154 CB LYS A 75 1.368 17.314 63.415 1.00 48.23 C +ATOM 155 CG LYS A 75 2.568 18.202 63.700 1.00 49.07 C +ATOM 156 CD LYS A 75 3.874 17.409 63.619 1.00 49.35 C +ATOM 157 CE LYS A 75 4.048 16.739 62.261 1.00 51.41 C +ATOM 158 NZ LYS A 75 5.258 15.864 62.211 1.00 51.78 N +ATOM 159 N TYR A 76 -1.661 16.212 63.681 1.00 50.40 N +ATOM 160 CA TYR A 76 -2.662 15.348 63.100 1.00 51.38 C +ATOM 161 C TYR A 76 -4.006 16.017 62.968 1.00 52.35 C +ATOM 162 O TYR A 76 -4.728 15.762 62.013 1.00 52.54 O +ATOM 163 CB TYR A 76 -2.784 14.072 63.920 1.00 47.85 C +ATOM 164 CG TYR A 76 -3.983 13.241 63.563 1.00 46.30 C +ATOM 165 CD1 TYR A 76 -5.209 13.451 64.196 1.00 47.38 C +ATOM 166 CD2 TYR A 76 -3.896 12.238 62.604 1.00 43.60 C +ATOM 167 CE1 TYR A 76 -6.313 12.680 63.888 1.00 45.92 C +ATOM 168 CE2 TYR A 76 -4.995 11.459 62.288 1.00 44.23 C +ATOM 169 CZ TYR A 76 -6.197 11.682 62.933 1.00 46.83 C +ATOM 170 OH TYR A 76 -7.288 10.891 62.649 1.00 51.37 O +ATOM 171 N GLU A 77 -4.350 16.864 63.930 1.00 55.69 N +ATOM 172 CA GLU A 77 -5.626 17.583 63.889 1.00 57.99 C +ATOM 173 C GLU A 77 -5.620 18.663 62.803 1.00 57.29 C +ATOM 174 O GLU A 77 -6.669 19.158 62.401 1.00 58.37 O +ATOM 175 CB GLU A 77 -5.922 18.241 65.242 1.00 60.05 C +ATOM 176 CG GLU A 77 -6.419 17.292 66.322 1.00 63.54 C +ATOM 177 CD GLU A 77 -7.698 16.579 65.925 1.00 65.41 C +ATOM 178 OE1 GLU A 77 -8.612 17.247 65.386 1.00 65.22 O +ATOM 179 OE2 GLU A 77 -7.791 15.356 66.162 1.00 65.82 O +ATOM 180 N ALA A 78 -4.434 19.023 62.331 1.00 56.88 N +ATOM 181 CA ALA A 78 -4.303 20.044 61.304 1.00 57.91 C +ATOM 182 C ALA A 78 -4.573 19.480 59.910 1.00 57.98 C +ATOM 183 O ALA A 78 -5.100 20.175 59.044 1.00 58.37 O +ATOM 184 CB ALA A 78 -2.913 20.666 61.359 1.00 57.30 C +ATOM 185 N ILE A 79 -4.203 18.225 59.688 1.00 58.29 N +ATOM 186 CA ILE A 79 -4.438 17.612 58.391 1.00 58.76 C +ATOM 187 C ILE A 79 -5.905 17.212 58.355 1.00 59.71 C +ATOM 188 O ILE A 79 -6.556 17.329 57.320 1.00 60.08 O +ATOM 189 CB ILE A 79 -3.554 16.361 58.171 1.00 58.74 C +ATOM 190 CG1 ILE A 79 -2.080 16.714 58.354 1.00 57.37 C +ATOM 191 CG2 ILE A 79 -3.760 15.827 56.765 1.00 59.58 C +ATOM 192 CD1 ILE A 79 -1.612 17.856 57.474 1.00 58.46 C +ATOM 193 N VAL A 80 -6.422 16.748 59.494 1.00 60.52 N +ATOM 194 CA VAL A 80 -7.827 16.358 59.588 1.00 61.09 C +ATOM 195 C VAL A 80 -8.640 17.583 59.213 1.00 62.28 C +ATOM 196 O VAL A 80 -9.687 17.479 58.585 1.00 62.80 O +ATOM 197 CB VAL A 80 -8.242 15.957 61.027 1.00 60.41 C +ATOM 198 CG1 VAL A 80 -9.754 15.773 61.093 1.00 59.31 C +ATOM 199 CG2 VAL A 80 -7.544 14.678 61.453 1.00 60.67 C +ATOM 200 N GLU A 81 -8.140 18.744 59.620 1.00 63.02 N +ATOM 201 CA GLU A 81 -8.793 20.013 59.351 1.00 65.12 C +ATOM 202 C GLU A 81 -8.469 20.435 57.929 1.00 65.97 C +ATOM 203 O GLU A 81 -9.290 21.035 57.241 1.00 65.45 O +ATOM 204 CB GLU A 81 -8.296 21.073 60.340 1.00 66.13 C +ATOM 205 CG GLU A 81 -8.982 22.415 60.206 1.00 67.38 C +ATOM 206 CD GLU A 81 -10.486 22.282 60.097 1.00 68.94 C +ATOM 207 OE1 GLU A 81 -11.078 21.504 60.878 1.00 69.86 O +ATOM 208 OE2 GLU A 81 -11.079 22.960 59.232 1.00 71.27 O +ATOM 209 N GLU A 82 -7.259 20.107 57.497 1.00 66.83 N +ATOM 210 CA GLU A 82 -6.808 20.445 56.159 1.00 69.13 C +ATOM 211 C GLU A 82 -7.657 19.718 55.111 1.00 69.99 C +ATOM 212 O GLU A 82 -8.053 20.305 54.103 1.00 70.58 O +ATOM 213 CB GLU A 82 -5.333 20.072 56.014 1.00 70.49 C +ATOM 214 CG GLU A 82 -4.647 20.625 54.782 1.00 72.80 C +ATOM 215 CD GLU A 82 -3.151 20.374 54.807 1.00 75.27 C +ATOM 216 OE1 GLU A 82 -2.480 20.863 55.746 1.00 74.75 O +ATOM 217 OE2 GLU A 82 -2.647 19.685 53.891 1.00 77.99 O +ATOM 218 N ASN A 83 -7.945 18.444 55.354 1.00 70.08 N +ATOM 219 CA ASN A 83 -8.754 17.671 54.425 1.00 71.80 C +ATOM 220 C ASN A 83 -10.203 18.145 54.432 1.00 73.37 C +ATOM 221 O ASN A 83 -10.879 18.099 53.407 1.00 75.52 O +ATOM 222 CB ASN A 83 -8.698 16.184 54.772 1.00 70.52 C +ATOM 223 CG ASN A 83 -7.287 15.638 54.756 1.00 70.26 C +ATOM 224 OD1 ASN A 83 -6.431 16.102 53.994 1.00 68.11 O +ATOM 225 ND2 ASN A 83 -7.038 14.634 55.588 1.00 70.41 N +ATOM 226 N LYS A 84 -10.680 18.593 55.588 1.00 74.80 N +ATOM 227 CA LYS A 84 -12.047 19.088 55.707 1.00 75.92 C +ATOM 228 C LYS A 84 -12.255 20.116 54.603 1.00 75.57 C +ATOM 229 O LYS A 84 -13.225 20.053 53.854 1.00 75.44 O +ATOM 230 CB LYS A 84 -12.258 19.748 57.077 1.00 77.51 C +ATOM 231 CG LYS A 84 -13.644 20.357 57.294 1.00 78.90 C +ATOM 232 CD LYS A 84 -13.704 21.122 58.616 1.00 80.86 C +ATOM 233 CE LYS A 84 -15.102 21.656 58.915 1.00 81.37 C +ATOM 234 NZ LYS A 84 -16.089 20.563 59.149 1.00 80.74 N +ATOM 235 N LYS A 85 -11.327 21.057 54.504 1.00 75.14 N +ATOM 236 CA LYS A 85 -11.411 22.087 53.491 1.00 75.13 C +ATOM 237 C LYS A 85 -11.302 21.488 52.098 1.00 75.04 C +ATOM 238 O LYS A 85 -12.032 21.884 51.192 1.00 76.31 O +ATOM 239 CB LYS A 85 -10.310 23.123 53.694 1.00 76.10 C +ATOM 240 CG LYS A 85 -10.485 23.964 54.946 1.00 77.50 C +ATOM 241 CD LYS A 85 -9.508 25.131 54.953 1.00 79.09 C +ATOM 242 CE LYS A 85 -9.726 26.045 53.750 1.00 80.08 C +ATOM 243 NZ LYS A 85 -8.729 27.152 53.700 1.00 80.74 N +ATOM 244 N LEU A 86 -10.398 20.531 51.922 1.00 73.55 N +ATOM 245 CA LEU A 86 -10.234 19.902 50.617 1.00 73.43 C +ATOM 246 C LEU A 86 -11.519 19.223 50.134 1.00 73.06 C +ATOM 247 O LEU A 86 -12.060 19.592 49.099 1.00 72.40 O +ATOM 248 CB LEU A 86 -9.079 18.890 50.645 1.00 72.47 C +ATOM 249 CG LEU A 86 -7.657 19.460 50.622 1.00 70.81 C +ATOM 250 CD1 LEU A 86 -6.659 18.329 50.688 1.00 69.99 C +ATOM 251 CD2 LEU A 86 -7.440 20.273 49.355 1.00 70.17 C +ATOM 252 N LYS A 87 -12.009 18.243 50.884 1.00 73.63 N +ATOM 253 CA LYS A 87 -13.229 17.534 50.509 1.00 75.19 C +ATOM 254 C LYS A 87 -14.356 18.505 50.172 1.00 76.02 C +ATOM 255 O LYS A 87 -15.078 18.320 49.193 1.00 75.73 O +ATOM 256 CB LYS A 87 -13.686 16.620 51.647 1.00 76.14 C +ATOM 257 CG LYS A 87 -12.733 15.483 51.978 1.00 76.78 C +ATOM 258 CD LYS A 87 -13.217 14.720 53.201 1.00 77.54 C +ATOM 259 CE LYS A 87 -12.229 13.644 53.621 1.00 77.71 C +ATOM 260 NZ LYS A 87 -12.127 12.563 52.604 1.00 78.46 N +ATOM 261 N ALA A 88 -14.499 19.543 50.989 1.00 76.70 N +ATOM 262 CA ALA A 88 -15.547 20.540 50.790 1.00 77.95 C +ATOM 263 C ALA A 88 -15.335 21.387 49.538 1.00 78.16 C +ATOM 264 O ALA A 88 -16.295 21.733 48.848 1.00 78.41 O +ATOM 265 CB ALA A 88 -15.640 21.446 52.012 1.00 77.94 C +ATOM 266 N LYS A 89 -14.080 21.724 49.256 1.00 77.78 N +ATOM 267 CA LYS A 89 -13.741 22.537 48.093 1.00 77.80 C +ATOM 268 C LYS A 89 -13.757 21.688 46.832 1.00 78.69 C +ATOM 269 O LYS A 89 -13.963 22.190 45.729 1.00 78.90 O +ATOM 270 CB LYS A 89 -12.355 23.152 48.288 1.00 77.23 C +ATOM 271 CG LYS A 89 -11.849 23.995 47.127 1.00 76.54 C +ATOM 272 CD LYS A 89 -10.592 24.761 47.529 1.00 75.81 C +ATOM 273 CE LYS A 89 -10.882 25.763 48.646 1.00 75.02 C +ATOM 274 NZ LYS A 89 -9.650 26.374 49.218 1.00 73.86 N +ATOM 275 N LEU A 90 -13.546 20.392 47.017 1.00 80.20 N +ATOM 276 CA LEU A 90 -13.511 19.424 45.929 1.00 81.08 C +ATOM 277 C LEU A 90 -14.897 19.213 45.314 1.00 81.94 C +ATOM 278 O LEU A 90 -15.026 18.996 44.110 1.00 82.08 O +ATOM 279 CB LEU A 90 -12.966 18.107 46.478 1.00 80.64 C +ATOM 280 CG LEU A 90 -12.367 17.042 45.569 1.00 81.13 C +ATOM 281 CD1 LEU A 90 -11.354 17.653 44.608 1.00 80.17 C +ATOM 282 CD2 LEU A 90 -11.711 15.987 46.460 1.00 80.80 C +ATOM 283 N ALA A 91 -15.929 19.282 46.152 1.00 82.83 N +ATOM 284 CA ALA A 91 -17.305 19.099 45.710 1.00 83.94 C +ATOM 285 C ALA A 91 -17.873 20.394 45.143 1.00 84.78 C +ATOM 286 O ALA A 91 -19.084 20.596 45.110 1.00 83.95 O +ATOM 287 CB ALA A 91 -18.159 18.616 46.869 1.00 84.12 C +ATOM 288 N GLN A 92 -16.977 21.272 44.712 1.00 86.95 N +ATOM 289 CA GLN A 92 -17.349 22.553 44.123 1.00 88.63 C +ATOM 290 C GLN A 92 -16.995 22.405 42.645 1.00 90.34 C +ATOM 291 O GLN A 92 -17.249 23.295 41.828 1.00 90.61 O +ATOM 292 CB GLN A 92 -16.528 23.684 44.753 1.00 88.16 C +ATOM 293 CG GLN A 92 -17.150 25.071 44.654 1.00 87.51 C +ATOM 294 CD GLN A 92 -18.327 25.258 45.598 1.00 87.08 C +ATOM 295 OE1 GLN A 92 -18.217 25.003 46.798 1.00 86.05 O +ATOM 296 NE2 GLN A 92 -19.457 25.717 45.062 1.00 85.54 N +ATOM 297 N TYR A 93 -16.388 21.264 42.325 1.00 91.84 N +ATOM 298 CA TYR A 93 -15.997 20.930 40.963 1.00 94.00 C +ATOM 299 C TYR A 93 -16.597 19.573 40.623 1.00 95.40 C +ATOM 300 O TYR A 93 -16.868 19.269 39.459 1.00 95.54 O +ATOM 301 CB TYR A 93 -14.476 20.869 40.832 1.00 94.19 C +ATOM 302 CG TYR A 93 -13.796 22.198 41.052 1.00 95.44 C +ATOM 303 CD1 TYR A 93 -13.408 22.605 42.327 1.00 95.45 C +ATOM 304 CD2 TYR A 93 -13.568 23.066 39.984 1.00 95.60 C +ATOM 305 CE1 TYR A 93 -12.808 23.845 42.533 1.00 96.18 C +ATOM 306 CE2 TYR A 93 -12.971 24.309 40.179 1.00 95.84 C +ATOM 307 CZ TYR A 93 -12.596 24.691 41.454 1.00 96.04 C +ATOM 308 OH TYR A 93 -12.010 25.921 41.650 1.00 96.16 O +ATOM 309 N GLU A 94 -16.801 18.762 41.656 1.00 96.66 N +ATOM 310 CA GLU A 94 -17.386 17.439 41.493 1.00 98.01 C +ATOM 311 C GLU A 94 -18.792 17.433 42.089 1.00 98.95 C +ATOM 312 O GLU A 94 -19.755 17.218 41.322 1.00 99.23 O +ATOM 313 CB GLU A 94 -16.524 16.383 42.191 1.00 98.25 C +ATOM 314 CG GLU A 94 -15.177 16.135 41.528 1.00 98.93 C +ATOM 315 CD GLU A 94 -14.406 14.998 42.178 1.00 99.63 C +ATOM 316 OE1 GLU A 94 -13.348 14.598 41.640 1.00 99.54 O +ATOM 317 OE2 GLU A 94 -14.859 14.507 43.232 1.00 99.86 O +ATOM 318 OXT GLU A 94 -18.912 17.652 43.316 1.00 99.89 O +ATOM 320 N ASN B 42 38.334 10.375 76.284 1.00 65.26 N +ATOM 321 CA ASN B 42 38.421 9.244 75.311 1.00 64.82 C +ATOM 322 C ASN B 42 37.027 8.726 74.930 1.00 64.05 C +ATOM 323 O ASN B 42 36.266 8.273 75.785 1.00 62.85 O +ATOM 324 CB ASN B 42 39.252 8.109 75.918 1.00 66.58 C +ATOM 325 CG ASN B 42 39.404 6.937 74.979 1.00 66.26 C +ATOM 326 OD1 ASN B 42 40.167 6.990 74.011 1.00 67.53 O +ATOM 327 ND2 ASN B 42 38.662 5.870 75.248 1.00 66.51 N +ATOM 328 N SER B 43 36.700 8.786 73.641 1.00 64.18 N +ATOM 329 CA SER B 43 35.391 8.339 73.171 1.00 64.04 C +ATOM 330 C SER B 43 35.121 6.878 73.522 1.00 62.51 C +ATOM 331 O SER B 43 33.981 6.493 73.789 1.00 63.58 O +ATOM 332 CB SER B 43 35.269 8.543 71.660 1.00 64.70 C +ATOM 333 OG SER B 43 36.195 7.731 70.964 1.00 69.97 O +ATOM 334 N ALA B 44 36.165 6.062 73.522 1.00 60.52 N +ATOM 335 CA ALA B 44 35.998 4.655 73.864 1.00 59.02 C +ATOM 336 C ALA B 44 35.578 4.539 75.328 1.00 57.47 C +ATOM 337 O ALA B 44 34.611 3.850 75.647 1.00 56.39 O +ATOM 338 CB ALA B 44 37.287 3.908 73.632 1.00 57.29 C +ATOM 339 N LEU B 45 36.298 5.232 76.209 1.00 56.22 N +ATOM 340 CA LEU B 45 35.992 5.203 77.637 1.00 56.84 C +ATOM 341 C LEU B 45 34.644 5.842 77.936 1.00 58.00 C +ATOM 342 O LEU B 45 33.907 5.377 78.811 1.00 56.82 O +ATOM 343 CB LEU B 45 37.081 5.915 78.440 1.00 55.42 C +ATOM 344 CG LEU B 45 38.428 5.190 78.482 1.00 56.96 C +ATOM 345 CD1 LEU B 45 39.403 5.990 79.323 1.00 55.02 C +ATOM 346 CD2 LEU B 45 38.249 3.774 79.043 1.00 55.51 C +ATOM 347 N ASP B 46 34.332 6.914 77.212 1.00 57.86 N +ATOM 348 CA ASP B 46 33.070 7.603 77.390 1.00 56.29 C +ATOM 349 C ASP B 46 31.937 6.635 77.153 1.00 55.11 C +ATOM 350 O ASP B 46 31.081 6.452 78.010 1.00 55.98 O +ATOM 351 CB ASP B 46 32.965 8.772 76.419 1.00 59.90 C +ATOM 352 CG ASP B 46 33.278 10.093 77.076 1.00 63.01 C +ATOM 353 OD1 ASP B 46 34.365 10.213 77.686 1.00 64.96 O +ATOM 354 OD2 ASP B 46 32.433 11.009 76.983 1.00 64.89 O +ATOM 355 N PHE B 47 31.930 6.005 75.987 1.00 54.14 N +ATOM 356 CA PHE B 47 30.881 5.046 75.673 1.00 52.80 C +ATOM 357 C PHE B 47 30.797 3.991 76.765 1.00 52.65 C +ATOM 358 O PHE B 47 29.704 3.609 77.188 1.00 51.42 O +ATOM 359 CB PHE B 47 31.164 4.378 74.332 1.00 52.27 C +ATOM 360 CG PHE B 47 30.194 3.283 73.976 1.00 52.33 C +ATOM 361 CD1 PHE B 47 30.295 2.025 74.561 1.00 51.62 C +ATOM 362 CD2 PHE B 47 29.192 3.507 73.038 1.00 52.45 C +ATOM 363 CE1 PHE B 47 29.418 1.010 74.219 1.00 50.72 C +ATOM 364 CE2 PHE B 47 28.309 2.497 72.690 1.00 53.33 C +ATOM 365 CZ PHE B 47 28.422 1.246 73.280 1.00 52.76 C +ATOM 366 N LEU B 48 31.951 3.520 77.224 1.00 52.63 N +ATOM 367 CA LEU B 48 31.959 2.500 78.266 1.00 53.07 C +ATOM 368 C LEU B 48 31.301 3.024 79.538 1.00 52.60 C +ATOM 369 O LEU B 48 30.503 2.326 80.160 1.00 50.78 O +ATOM 370 CB LEU B 48 33.387 2.052 78.584 1.00 52.99 C +ATOM 371 CG LEU B 48 33.460 0.755 79.404 1.00 54.51 C +ATOM 372 CD1 LEU B 48 33.085 -0.425 78.515 1.00 53.13 C +ATOM 373 CD2 LEU B 48 34.849 0.566 79.971 1.00 54.21 C +ATOM 374 N LYS B 49 31.642 4.257 79.906 1.00 55.55 N +ATOM 375 CA LYS B 49 31.116 4.915 81.103 1.00 58.37 C +ATOM 376 C LYS B 49 29.593 5.118 81.098 1.00 59.59 C +ATOM 377 O LYS B 49 28.974 5.205 82.159 1.00 59.92 O +ATOM 378 CB LYS B 49 31.810 6.270 81.295 1.00 58.80 C +ATOM 379 CG LYS B 49 31.375 7.023 82.538 1.00 62.21 C +ATOM 380 CD LYS B 49 31.884 8.462 82.550 1.00 66.92 C +ATOM 381 CE LYS B 49 33.409 8.525 82.544 1.00 70.14 C +ATOM 382 NZ LYS B 49 34.007 7.827 83.724 1.00 72.86 N +ATOM 383 N HIS B 50 28.992 5.194 79.914 1.00 60.71 N +ATOM 384 CA HIS B 50 27.549 5.381 79.809 1.00 63.37 C +ATOM 385 C HIS B 50 26.812 4.058 79.757 1.00 63.67 C +ATOM 386 O HIS B 50 25.690 3.951 80.251 1.00 65.88 O +ATOM 387 CB HIS B 50 27.189 6.180 78.553 1.00 64.31 C +ATOM 388 CG HIS B 50 27.697 7.586 78.566 1.00 67.74 C +ATOM 389 ND1 HIS B 50 27.509 8.454 77.513 1.00 69.22 N +ATOM 390 CD2 HIS B 50 28.394 8.272 79.502 1.00 68.32 C +ATOM 391 CE1 HIS B 50 28.070 9.616 77.799 1.00 69.94 C +ATOM 392 NE2 HIS B 50 28.614 9.532 78.999 1.00 69.59 N +ATOM 393 N HIS B 51 27.436 3.050 79.158 1.00 62.91 N +ATOM 394 CA HIS B 51 26.797 1.746 79.028 1.00 62.50 C +ATOM 395 C HIS B 51 27.088 0.791 80.163 1.00 61.59 C +ATOM 396 O HIS B 51 26.853 -0.413 80.046 1.00 62.63 O +ATOM 397 CB HIS B 51 27.183 1.095 77.702 1.00 64.13 C +ATOM 398 CG HIS B 51 26.541 1.735 76.513 1.00 66.22 C +ATOM 399 ND1 HIS B 51 26.795 3.039 76.141 1.00 66.54 N +ATOM 400 CD2 HIS B 51 25.631 1.261 75.629 1.00 67.49 C +ATOM 401 CE1 HIS B 51 26.068 3.340 75.080 1.00 68.10 C +ATOM 402 NE2 HIS B 51 25.352 2.279 74.749 1.00 68.61 N +ATOM 403 N LEU B 52 27.605 1.326 81.262 1.00 59.39 N +ATOM 404 CA LEU B 52 27.896 0.513 82.428 1.00 59.56 C +ATOM 405 C LEU B 52 27.271 1.181 83.642 1.00 60.89 C +ATOM 406 O LEU B 52 27.259 2.403 83.742 1.00 59.86 O +ATOM 407 CB LEU B 52 29.403 0.378 82.613 1.00 58.31 C +ATOM 408 CG LEU B 52 29.982 -1.034 82.572 1.00 56.04 C +ATOM 409 CD1 LEU B 52 29.213 -1.920 81.615 1.00 55.70 C +ATOM 410 CD2 LEU B 52 31.419 -0.926 82.148 1.00 55.97 C +ATOM 411 N GLY B 53 26.738 0.377 84.554 1.00 63.96 N +ATOM 412 CA GLY B 53 26.113 0.926 85.744 1.00 67.86 C +ATOM 413 C GLY B 53 24.666 0.494 85.873 1.00 70.91 C +ATOM 414 O GLY B 53 24.230 -0.459 85.228 1.00 71.17 O +ATOM 415 N ALA B 54 23.915 1.200 86.708 1.00 74.11 N +ATOM 416 CA ALA B 54 22.511 0.874 86.922 1.00 76.95 C +ATOM 417 C ALA B 54 21.671 1.196 85.697 1.00 79.17 C +ATOM 418 O ALA B 54 21.484 2.366 85.357 1.00 79.86 O +ATOM 419 CB ALA B 54 21.982 1.638 88.124 1.00 75.87 C +ATOM 420 N ALA B 55 21.166 0.161 85.032 1.00 81.53 N +ATOM 421 CA ALA B 55 20.328 0.363 83.854 1.00 83.56 C +ATOM 422 C ALA B 55 19.061 1.079 84.311 1.00 84.82 C +ATOM 423 O ALA B 55 18.805 1.195 85.512 1.00 85.12 O +ATOM 424 CB ALA B 55 19.977 -0.978 83.217 1.00 83.28 C +ATOM 425 N THR B 56 18.269 1.562 83.362 1.00 85.77 N +ATOM 426 CA THR B 56 17.034 2.265 83.701 1.00 86.16 C +ATOM 427 C THR B 56 15.879 1.280 83.939 1.00 85.69 C +ATOM 428 O THR B 56 15.561 0.459 83.076 1.00 85.93 O +ATOM 429 CB THR B 56 16.633 3.254 82.575 1.00 86.39 C +ATOM 430 OG1 THR B 56 17.742 4.110 82.267 1.00 86.53 O +ATOM 431 CG2 THR B 56 15.451 4.110 83.010 1.00 86.56 C +ATOM 432 N PRO B 57 15.249 1.337 85.127 1.00 84.66 N +ATOM 433 CA PRO B 57 14.137 0.426 85.415 1.00 83.25 C +ATOM 434 C PRO B 57 13.003 0.708 84.438 1.00 81.87 C +ATOM 435 O PRO B 57 12.694 1.868 84.156 1.00 81.95 O +ATOM 436 CB PRO B 57 13.754 0.787 86.848 1.00 83.60 C +ATOM 437 CG PRO B 57 15.039 1.290 87.428 1.00 84.25 C +ATOM 438 CD PRO B 57 15.582 2.144 86.313 1.00 84.68 C +ATOM 439 N GLU B 58 12.389 -0.349 83.919 1.00 79.60 N +ATOM 440 CA GLU B 58 11.294 -0.190 82.970 1.00 76.81 C +ATOM 441 C GLU B 58 10.085 0.487 83.602 1.00 72.44 C +ATOM 442 O GLU B 58 9.380 -0.119 84.403 1.00 73.02 O +ATOM 443 CB GLU B 58 10.881 -1.552 82.400 1.00 78.75 C +ATOM 444 CG GLU B 58 11.416 -1.848 80.989 1.00 81.15 C +ATOM 445 CD GLU B 58 12.936 -1.877 80.907 1.00 81.59 C +ATOM 446 OE1 GLU B 58 13.568 -0.819 81.136 1.00 81.27 O +ATOM 447 OE2 GLU B 58 13.493 -2.960 80.612 1.00 80.08 O +ATOM 448 N ASN B 59 9.857 1.748 83.250 1.00 66.94 N +ATOM 449 CA ASN B 59 8.714 2.479 83.779 1.00 62.61 C +ATOM 450 C ASN B 59 7.513 2.248 82.860 1.00 58.46 C +ATOM 451 O ASN B 59 7.569 2.540 81.666 1.00 56.97 O +ATOM 452 CB ASN B 59 9.015 3.977 83.860 1.00 63.71 C +ATOM 453 CG ASN B 59 7.867 4.766 84.476 1.00 64.99 C +ATOM 454 OD1 ASN B 59 6.713 4.596 84.094 1.00 63.88 O +ATOM 455 ND2 ASN B 59 8.183 5.635 85.431 1.00 66.67 N +ATOM 456 N PRO B 60 6.414 1.713 83.408 1.00 54.12 N +ATOM 457 CA PRO B 60 5.176 1.422 82.676 1.00 50.83 C +ATOM 458 C PRO B 60 4.509 2.641 82.012 1.00 48.01 C +ATOM 459 O PRO B 60 3.860 2.513 80.969 1.00 44.41 O +ATOM 460 CB PRO B 60 4.290 0.789 83.744 1.00 50.88 C +ATOM 461 CG PRO B 60 5.262 0.139 84.646 1.00 53.29 C +ATOM 462 CD PRO B 60 6.336 1.189 84.778 1.00 53.78 C +ATOM 463 N GLU B 61 4.662 3.815 82.618 1.00 45.85 N +ATOM 464 CA GLU B 61 4.077 5.024 82.061 1.00 44.43 C +ATOM 465 C GLU B 61 4.814 5.392 80.795 1.00 42.93 C +ATOM 466 O GLU B 61 4.199 5.783 79.808 1.00 44.36 O +ATOM 467 CB GLU B 61 4.144 6.182 83.065 1.00 46.53 C +ATOM 468 CG GLU B 61 3.574 7.493 82.542 1.00 51.19 C +ATOM 469 CD GLU B 61 2.170 7.345 81.947 1.00 57.37 C +ATOM 470 OE1 GLU B 61 1.624 8.349 81.426 1.00 59.08 O +ATOM 471 OE2 GLU B 61 1.605 6.227 81.991 1.00 60.61 O +ATOM 472 N ILE B 62 6.135 5.247 80.812 1.00 42.31 N +ATOM 473 CA ILE B 62 6.942 5.576 79.647 1.00 40.68 C +ATOM 474 C ILE B 62 6.638 4.628 78.482 1.00 42.50 C +ATOM 475 O ILE B 62 6.535 5.057 77.332 1.00 42.94 O +ATOM 476 CB ILE B 62 8.432 5.529 80.003 1.00 40.14 C +ATOM 477 CG1 ILE B 62 8.735 6.640 81.006 1.00 40.15 C +ATOM 478 CG2 ILE B 62 9.301 5.676 78.747 1.00 37.81 C +ATOM 479 CD1 ILE B 62 10.176 6.697 81.429 1.00 40.99 C +ATOM 480 N GLU B 63 6.468 3.344 78.776 1.00 42.00 N +ATOM 481 CA GLU B 63 6.169 2.367 77.727 1.00 42.32 C +ATOM 482 C GLU B 63 4.819 2.687 77.078 1.00 39.89 C +ATOM 483 O GLU B 63 4.679 2.594 75.858 1.00 39.29 O +ATOM 484 CB GLU B 63 6.172 0.961 78.321 1.00 45.93 C +ATOM 485 CG GLU B 63 7.480 0.638 79.026 1.00 53.12 C +ATOM 486 CD GLU B 63 7.432 -0.660 79.800 1.00 59.93 C +ATOM 487 OE1 GLU B 63 6.500 -0.815 80.621 1.00 62.92 O +ATOM 488 OE2 GLU B 63 8.328 -1.517 79.595 1.00 62.19 O +ATOM 489 N LEU B 64 3.839 3.073 77.896 1.00 35.70 N +ATOM 490 CA LEU B 64 2.530 3.440 77.388 1.00 34.70 C +ATOM 491 C LEU B 64 2.671 4.594 76.414 1.00 32.06 C +ATOM 492 O LEU B 64 2.322 4.469 75.244 1.00 33.75 O +ATOM 493 CB LEU B 64 1.605 3.881 78.518 1.00 35.03 C +ATOM 494 CG LEU B 64 0.539 2.931 79.068 1.00 39.54 C +ATOM 495 CD1 LEU B 64 -0.336 3.742 80.032 1.00 42.16 C +ATOM 496 CD2 LEU B 64 -0.334 2.322 77.960 1.00 34.57 C +ATOM 497 N LEU B 65 3.192 5.714 76.912 1.00 30.60 N +ATOM 498 CA LEU B 65 3.392 6.919 76.118 1.00 29.23 C +ATOM 499 C LEU B 65 4.150 6.638 74.816 1.00 30.68 C +ATOM 500 O LEU B 65 3.815 7.181 73.742 1.00 29.78 O +ATOM 501 CB LEU B 65 4.140 7.971 76.952 1.00 31.11 C +ATOM 502 CG LEU B 65 3.330 8.782 77.962 1.00 32.56 C +ATOM 503 CD1 LEU B 65 4.242 9.513 78.903 1.00 34.40 C +ATOM 504 CD2 LEU B 65 2.447 9.789 77.203 1.00 35.82 C +ATOM 505 N ARG B 66 5.189 5.818 74.890 1.00 26.68 N +ATOM 506 CA ARG B 66 5.892 5.504 73.661 1.00 32.12 C +ATOM 507 C ARG B 66 4.921 4.809 72.684 1.00 33.10 C +ATOM 508 O ARG B 66 4.964 5.087 71.479 1.00 31.39 O +ATOM 509 CB ARG B 66 7.106 4.599 73.918 1.00 34.55 C +ATOM 510 CG ARG B 66 8.287 5.292 74.580 1.00 41.49 C +ATOM 511 CD ARG B 66 9.556 4.451 74.424 1.00 47.85 C +ATOM 512 NE ARG B 66 10.655 4.950 75.246 1.00 50.65 N +ATOM 513 CZ ARG B 66 11.277 6.109 75.057 1.00 52.59 C +ATOM 514 NH1 ARG B 66 10.926 6.912 74.061 1.00 52.89 N +ATOM 515 NH2 ARG B 66 12.243 6.475 75.885 1.00 54.11 N +ATOM 516 N LEU B 67 4.049 3.926 73.191 1.00 30.30 N +ATOM 517 CA LEU B 67 3.092 3.239 72.315 1.00 31.60 C +ATOM 518 C LEU B 67 2.015 4.198 71.816 1.00 31.16 C +ATOM 519 O LEU B 67 1.441 3.997 70.733 1.00 28.83 O +ATOM 520 CB LEU B 67 2.420 2.047 73.017 1.00 32.43 C +ATOM 521 CG LEU B 67 3.288 0.807 73.300 1.00 35.13 C +ATOM 522 CD1 LEU B 67 2.493 -0.191 74.107 1.00 38.08 C +ATOM 523 CD2 LEU B 67 3.745 0.163 72.005 1.00 38.05 C +ATOM 524 N GLU B 68 1.718 5.234 72.593 1.00 28.79 N +ATOM 525 CA GLU B 68 0.701 6.189 72.137 1.00 31.39 C +ATOM 526 C GLU B 68 1.329 7.030 71.041 1.00 30.83 C +ATOM 527 O GLU B 68 0.697 7.321 70.031 1.00 29.11 O +ATOM 528 CB GLU B 68 0.207 7.061 73.289 1.00 33.42 C +ATOM 529 CG GLU B 68 -0.860 6.376 74.136 1.00 37.77 C +ATOM 530 CD GLU B 68 -0.908 6.893 75.561 1.00 42.40 C +ATOM 531 OE1 GLU B 68 -1.800 6.471 76.330 1.00 48.81 O +ATOM 532 OE2 GLU B 68 -0.047 7.710 75.923 1.00 44.69 O +ATOM 533 N LEU B 69 2.602 7.368 71.223 1.00 31.44 N +ATOM 534 CA LEU B 69 3.314 8.147 70.237 1.00 29.57 C +ATOM 535 C LEU B 69 3.361 7.385 68.936 1.00 28.73 C +ATOM 536 O LEU B 69 2.998 7.912 67.891 1.00 30.01 O +ATOM 537 CB LEU B 69 4.719 8.455 70.717 1.00 31.47 C +ATOM 538 CG LEU B 69 5.356 9.660 70.022 1.00 35.06 C +ATOM 539 CD1 LEU B 69 4.402 10.855 70.145 1.00 34.53 C +ATOM 540 CD2 LEU B 69 6.735 9.955 70.630 1.00 34.34 C +ATOM 541 N ALA B 70 3.815 6.142 68.984 1.00 31.87 N +ATOM 542 CA ALA B 70 3.861 5.290 67.781 1.00 33.58 C +ATOM 543 C ALA B 70 2.492 5.189 67.130 1.00 33.25 C +ATOM 544 O ALA B 70 2.353 5.300 65.933 1.00 36.20 O +ATOM 545 CB ALA B 70 4.330 3.888 68.144 1.00 34.96 C +ATOM 546 N GLU B 71 1.474 4.962 67.939 1.00 36.34 N +ATOM 547 CA GLU B 71 0.106 4.842 67.460 1.00 37.74 C +ATOM 548 C GLU B 71 -0.353 6.143 66.755 1.00 38.39 C +ATOM 549 O GLU B 71 -0.876 6.123 65.626 1.00 35.98 O +ATOM 550 CB GLU B 71 -0.777 4.538 68.670 1.00 45.29 C +ATOM 551 CG GLU B 71 -2.094 3.883 68.368 1.00 51.37 C +ATOM 552 CD GLU B 71 -2.945 4.757 67.513 1.00 55.66 C +ATOM 553 OE1 GLU B 71 -3.176 5.909 67.936 1.00 57.51 O +ATOM 554 OE2 GLU B 71 -3.370 4.300 66.424 1.00 58.87 O +ATOM 555 N MET B 72 -0.142 7.275 67.421 1.00 38.05 N +ATOM 556 CA MET B 72 -0.534 8.574 66.878 1.00 37.31 C +ATOM 557 C MET B 72 0.205 8.839 65.570 1.00 37.32 C +ATOM 558 O MET B 72 -0.375 9.360 64.625 1.00 36.37 O +ATOM 559 CB MET B 72 -0.229 9.675 67.901 1.00 39.30 C +ATOM 560 CG MET B 72 -0.690 11.094 67.502 1.00 43.09 C +ATOM 561 SD MET B 72 -2.470 11.243 67.103 1.00 45.97 S +ATOM 562 CE MET B 72 -3.193 10.116 68.228 1.00 42.81 C +ATOM 563 N LYS B 73 1.483 8.468 65.512 1.00 37.97 N +ATOM 564 CA LYS B 73 2.268 8.668 64.306 1.00 40.72 C +ATOM 565 C LYS B 73 1.719 7.805 63.169 1.00 44.38 C +ATOM 566 O LYS B 73 1.765 8.192 62.003 1.00 45.08 O +ATOM 567 CB LYS B 73 3.723 8.309 64.569 1.00 42.56 C +ATOM 568 CG LYS B 73 4.661 8.699 63.441 1.00 44.78 C +ATOM 569 CD LYS B 73 6.102 8.385 63.773 1.00 45.38 C +ATOM 570 CE LYS B 73 7.017 8.831 62.642 1.00 49.11 C +ATOM 571 NZ LYS B 73 6.629 8.199 61.352 1.00 49.14 N +ATOM 572 N GLU B 74 1.206 6.627 63.507 1.00 46.19 N +ATOM 573 CA GLU B 74 0.631 5.754 62.498 1.00 47.78 C +ATOM 574 C GLU B 74 -0.562 6.465 61.886 1.00 46.55 C +ATOM 575 O GLU B 74 -0.662 6.564 60.677 1.00 46.29 O +ATOM 576 CB GLU B 74 0.147 4.443 63.119 1.00 52.97 C +ATOM 577 CG GLU B 74 1.230 3.422 63.393 1.00 62.44 C +ATOM 578 CD GLU B 74 1.421 2.456 62.237 1.00 68.06 C +ATOM 579 OE1 GLU B 74 1.683 2.931 61.110 1.00 70.78 O +ATOM 580 OE2 GLU B 74 1.307 1.225 62.454 1.00 69.72 O +ATOM 581 N LYS B 75 -1.466 6.958 62.729 1.00 45.81 N +ATOM 582 CA LYS B 75 -2.664 7.635 62.248 1.00 47.88 C +ATOM 583 C LYS B 75 -2.354 8.869 61.424 1.00 49.62 C +ATOM 584 O LYS B 75 -2.990 9.126 60.408 1.00 49.79 O +ATOM 585 CB LYS B 75 -3.585 8.028 63.413 1.00 47.18 C +ATOM 586 CG LYS B 75 -4.440 6.880 63.953 1.00 50.30 C +ATOM 587 CD LYS B 75 -5.675 7.380 64.729 1.00 51.62 C +ATOM 588 CE LYS B 75 -5.292 8.250 65.921 1.00 53.78 C +ATOM 589 NZ LYS B 75 -6.451 9.021 66.476 1.00 55.41 N +ATOM 590 N TYR B 76 -1.372 9.635 61.875 1.00 50.45 N +ATOM 591 CA TYR B 76 -0.974 10.846 61.184 1.00 49.49 C +ATOM 592 C TYR B 76 -0.483 10.557 59.769 1.00 48.77 C +ATOM 593 O TYR B 76 -0.903 11.204 58.811 1.00 49.18 O +ATOM 594 CB TYR B 76 0.124 11.546 61.976 1.00 48.01 C +ATOM 595 CG TYR B 76 0.818 12.621 61.204 1.00 46.42 C +ATOM 596 CD1 TYR B 76 0.284 13.909 61.127 1.00 46.30 C +ATOM 597 CD2 TYR B 76 2.016 12.351 60.540 1.00 45.53 C +ATOM 598 CE1 TYR B 76 0.934 14.906 60.411 1.00 48.02 C +ATOM 599 CE2 TYR B 76 2.672 13.333 59.821 1.00 48.04 C +ATOM 600 CZ TYR B 76 2.128 14.612 59.759 1.00 49.07 C +ATOM 601 OH TYR B 76 2.789 15.588 59.043 1.00 50.41 O +ATOM 602 N GLU B 77 0.421 9.600 59.640 1.00 48.19 N +ATOM 603 CA GLU B 77 0.950 9.242 58.328 1.00 50.29 C +ATOM 604 C GLU B 77 -0.148 8.725 57.369 1.00 49.45 C +ATOM 605 O GLU B 77 -0.050 8.886 56.156 1.00 46.85 O +ATOM 606 CB GLU B 77 2.057 8.185 58.482 1.00 53.81 C +ATOM 607 CG GLU B 77 3.295 8.645 59.274 1.00 58.49 C +ATOM 608 CD GLU B 77 4.137 9.696 58.543 1.00 62.61 C +ATOM 609 OE1 GLU B 77 5.168 10.136 59.105 1.00 65.02 O +ATOM 610 OE2 GLU B 77 3.774 10.082 57.410 1.00 63.54 O +ATOM 611 N ALA B 78 -1.192 8.103 57.906 1.00 48.44 N +ATOM 612 CA ALA B 78 -2.268 7.601 57.056 1.00 48.50 C +ATOM 613 C ALA B 78 -2.986 8.780 56.413 1.00 49.82 C +ATOM 614 O ALA B 78 -3.210 8.812 55.204 1.00 50.45 O +ATOM 615 CB ALA B 78 -3.263 6.791 57.872 1.00 45.11 C +ATOM 616 N ILE B 79 -3.345 9.746 57.242 1.00 50.61 N +ATOM 617 CA ILE B 79 -4.060 10.922 56.795 1.00 52.30 C +ATOM 618 C ILE B 79 -3.205 11.784 55.876 1.00 53.02 C +ATOM 619 O ILE B 79 -3.718 12.564 55.080 1.00 54.37 O +ATOM 620 CB ILE B 79 -4.528 11.741 58.006 1.00 52.36 C +ATOM 621 CG1 ILE B 79 -5.904 12.335 57.724 1.00 52.67 C +ATOM 622 CG2 ILE B 79 -3.514 12.838 58.324 1.00 53.56 C +ATOM 623 CD1 ILE B 79 -6.543 12.978 58.941 1.00 52.55 C +ATOM 624 N VAL B 80 -1.891 11.661 55.988 1.00 53.71 N +ATOM 625 CA VAL B 80 -1.027 12.440 55.119 1.00 52.44 C +ATOM 626 C VAL B 80 -1.174 11.841 53.729 1.00 52.50 C +ATOM 627 O VAL B 80 -1.092 12.546 52.727 1.00 51.81 O +ATOM 628 CB VAL B 80 0.443 12.368 55.575 1.00 52.79 C +ATOM 629 CG1 VAL B 80 1.369 13.001 54.517 1.00 53.58 C +ATOM 630 CG2 VAL B 80 0.591 13.095 56.896 1.00 53.98 C +ATOM 631 N GLU B 81 -1.400 10.530 53.676 1.00 54.51 N +ATOM 632 CA GLU B 81 -1.586 9.827 52.409 1.00 55.26 C +ATOM 633 C GLU B 81 -2.894 10.295 51.785 1.00 54.38 C +ATOM 634 O GLU B 81 -2.937 10.665 50.613 1.00 53.55 O +ATOM 635 CB GLU B 81 -1.628 8.315 52.636 1.00 58.22 C +ATOM 636 CG GLU B 81 -0.274 7.703 52.942 1.00 65.91 C +ATOM 637 CD GLU B 81 0.676 7.760 51.754 1.00 69.58 C +ATOM 638 OE1 GLU B 81 0.593 6.866 50.882 1.00 72.39 O +ATOM 639 OE2 GLU B 81 1.497 8.704 51.688 1.00 71.86 O +ATOM 640 N GLU B 82 -3.957 10.291 52.580 1.00 53.22 N +ATOM 641 CA GLU B 82 -5.244 10.724 52.088 1.00 55.42 C +ATOM 642 C GLU B 82 -5.156 12.185 51.662 1.00 54.23 C +ATOM 643 O GLU B 82 -5.613 12.559 50.584 1.00 54.38 O +ATOM 644 CB GLU B 82 -6.313 10.546 53.171 1.00 58.31 C +ATOM 645 CG GLU B 82 -7.565 9.860 52.653 1.00 64.92 C +ATOM 646 CD GLU B 82 -8.177 10.586 51.461 1.00 67.70 C +ATOM 647 OE1 GLU B 82 -8.902 11.584 51.670 1.00 68.88 O +ATOM 648 OE2 GLU B 82 -7.921 10.163 50.312 1.00 69.38 O +ATOM 649 N ASN B 83 -4.553 13.009 52.511 1.00 53.42 N +ATOM 650 CA ASN B 83 -4.406 14.427 52.219 1.00 52.22 C +ATOM 651 C ASN B 83 -3.723 14.615 50.873 1.00 51.28 C +ATOM 652 O ASN B 83 -4.071 15.517 50.118 1.00 51.45 O +ATOM 653 CB ASN B 83 -3.599 15.115 53.328 1.00 52.18 C +ATOM 654 CG ASN B 83 -3.285 16.568 53.014 1.00 52.45 C +ATOM 655 OD1 ASN B 83 -4.168 17.431 53.013 1.00 54.76 O +ATOM 656 ND2 ASN B 83 -2.018 16.845 52.742 1.00 51.61 N +ATOM 657 N LYS B 84 -2.754 13.763 50.563 1.00 50.05 N +ATOM 658 CA LYS B 84 -2.066 13.888 49.293 1.00 51.10 C +ATOM 659 C LYS B 84 -2.973 13.482 48.130 1.00 51.46 C +ATOM 660 O LYS B 84 -2.853 14.021 47.026 1.00 49.39 O +ATOM 661 CB LYS B 84 -0.786 13.047 49.289 1.00 53.07 C +ATOM 662 CG LYS B 84 0.223 13.459 50.366 1.00 56.25 C +ATOM 663 CD LYS B 84 1.643 13.037 50.023 1.00 58.96 C +ATOM 664 CE LYS B 84 1.740 11.554 49.741 1.00 61.19 C +ATOM 665 NZ LYS B 84 3.102 11.196 49.253 1.00 65.55 N +ATOM 666 N LYS B 85 -3.884 12.541 48.374 1.00 51.36 N +ATOM 667 CA LYS B 85 -4.799 12.101 47.327 1.00 52.42 C +ATOM 668 C LYS B 85 -5.825 13.194 47.018 1.00 51.36 C +ATOM 669 O LYS B 85 -6.104 13.478 45.853 1.00 49.63 O +ATOM 670 CB LYS B 85 -5.504 10.803 47.734 1.00 55.33 C +ATOM 671 CG LYS B 85 -4.585 9.576 47.735 1.00 59.60 C +ATOM 672 CD LYS B 85 -5.354 8.290 48.047 1.00 62.40 C +ATOM 673 CE LYS B 85 -4.423 7.086 48.119 1.00 62.79 C +ATOM 674 NZ LYS B 85 -3.605 6.968 46.880 1.00 64.69 N +ATOM 675 N LEU B 86 -6.376 13.806 48.061 1.00 50.86 N +ATOM 676 CA LEU B 86 -7.336 14.875 47.878 1.00 51.62 C +ATOM 677 C LEU B 86 -6.700 15.965 47.035 1.00 52.79 C +ATOM 678 O LEU B 86 -7.330 16.475 46.114 1.00 54.18 O +ATOM 679 CB LEU B 86 -7.768 15.452 49.223 1.00 51.28 C +ATOM 680 CG LEU B 86 -8.611 14.540 50.121 1.00 53.69 C +ATOM 681 CD1 LEU B 86 -8.967 15.289 51.406 1.00 50.75 C +ATOM 682 CD2 LEU B 86 -9.877 14.098 49.380 1.00 50.53 C +ATOM 683 N LYS B 87 -5.452 16.316 47.342 1.00 53.71 N +ATOM 684 CA LYS B 87 -4.729 17.355 46.595 1.00 55.27 C +ATOM 685 C LYS B 87 -4.542 16.986 45.122 1.00 54.57 C +ATOM 686 O LYS B 87 -4.566 17.850 44.249 1.00 53.10 O +ATOM 687 CB LYS B 87 -3.354 17.619 47.219 1.00 56.25 C +ATOM 688 CG LYS B 87 -3.387 18.163 48.641 1.00 58.63 C +ATOM 689 CD LYS B 87 -1.968 18.380 49.169 1.00 61.39 C +ATOM 690 CE LYS B 87 -1.974 18.823 50.622 1.00 63.05 C +ATOM 691 NZ LYS B 87 -2.780 20.055 50.822 1.00 64.74 N +ATOM 692 N ALA B 88 -4.337 15.701 44.856 1.00 55.29 N +ATOM 693 CA ALA B 88 -4.171 15.221 43.492 1.00 56.71 C +ATOM 694 C ALA B 88 -5.479 15.442 42.725 1.00 57.69 C +ATOM 695 O ALA B 88 -5.471 15.841 41.565 1.00 58.22 O +ATOM 696 CB ALA B 88 -3.809 13.745 43.502 1.00 56.92 C +ATOM 697 N LYS B 89 -6.607 15.183 43.379 1.00 58.55 N +ATOM 698 CA LYS B 89 -7.896 15.378 42.736 1.00 58.78 C +ATOM 699 C LYS B 89 -8.144 16.844 42.394 1.00 58.04 C +ATOM 700 O LYS B 89 -8.535 17.163 41.271 1.00 58.28 O +ATOM 701 CB LYS B 89 -9.025 14.828 43.611 1.00 61.12 C +ATOM 702 CG LYS B 89 -9.213 13.324 43.457 1.00 63.79 C +ATOM 703 CD LYS B 89 -10.486 12.827 44.126 1.00 67.46 C +ATOM 704 CE LYS B 89 -10.395 12.872 45.646 1.00 69.20 C +ATOM 705 NZ LYS B 89 -11.629 12.335 46.299 1.00 70.78 N +ATOM 706 N LEU B 90 -7.906 17.740 43.346 1.00 56.90 N +ATOM 707 CA LEU B 90 -8.102 19.155 43.084 1.00 56.71 C +ATOM 708 C LEU B 90 -7.255 19.638 41.911 1.00 56.51 C +ATOM 709 O LEU B 90 -7.635 20.566 41.194 1.00 57.31 O +ATOM 710 CB LEU B 90 -7.771 19.984 44.320 1.00 57.62 C +ATOM 711 CG LEU B 90 -8.933 20.254 45.275 1.00 60.24 C +ATOM 712 CD1 LEU B 90 -8.487 21.317 46.270 1.00 62.91 C +ATOM 713 CD2 LEU B 90 -10.171 20.741 44.513 1.00 58.67 C +ATOM 714 N ALA B 91 -6.099 19.019 41.724 1.00 54.18 N +ATOM 715 CA ALA B 91 -5.235 19.393 40.630 1.00 53.87 C +ATOM 716 C ALA B 91 -5.990 19.262 39.303 1.00 55.13 C +ATOM 717 O ALA B 91 -5.735 20.021 38.369 1.00 55.52 O +ATOM 718 CB ALA B 91 -4.003 18.508 40.622 1.00 54.92 C +ATOM 719 N GLN B 92 -6.910 18.297 39.220 1.00 54.56 N +ATOM 720 CA GLN B 92 -7.697 18.083 38.004 1.00 54.17 C +ATOM 721 C GLN B 92 -8.536 19.310 37.666 1.00 56.08 C +ATOM 722 O GLN B 92 -8.754 19.622 36.502 1.00 56.14 O +ATOM 723 CB GLN B 92 -8.660 16.910 38.169 1.00 52.40 C +ATOM 724 CG GLN B 92 -8.029 15.563 38.327 1.00 51.13 C +ATOM 725 CD GLN B 92 -9.066 14.463 38.438 1.00 49.89 C +ATOM 726 OE1 GLN B 92 -10.057 14.590 39.166 1.00 51.83 O +ATOM 727 NE2 GLN B 92 -8.840 13.373 37.726 1.00 45.77 N +ATOM 728 N TYR B 93 -9.012 19.987 38.700 1.00 58.53 N +ATOM 729 CA TYR B 93 -9.854 21.162 38.542 1.00 63.34 C +ATOM 730 C TYR B 93 -9.113 22.451 38.851 1.00 67.04 C +ATOM 731 O TYR B 93 -7.888 22.460 38.978 1.00 68.10 O +ATOM 732 CB TYR B 93 -11.069 21.028 39.453 1.00 60.61 C +ATOM 733 CG TYR B 93 -11.700 19.664 39.364 1.00 60.53 C +ATOM 734 CD1 TYR B 93 -11.796 18.844 40.488 1.00 60.69 C +ATOM 735 CD2 TYR B 93 -12.195 19.183 38.149 1.00 59.03 C +ATOM 736 CE1 TYR B 93 -12.372 17.583 40.403 1.00 59.76 C +ATOM 737 CE2 TYR B 93 -12.769 17.930 38.053 1.00 57.70 C +ATOM 738 CZ TYR B 93 -12.858 17.132 39.179 1.00 60.41 C +ATOM 739 OH TYR B 93 -13.436 15.884 39.090 1.00 60.04 O +ATOM 740 N GLU B 94 -9.861 23.540 38.984 1.00 71.30 N +ATOM 741 CA GLU B 94 -9.252 24.834 39.260 1.00 75.88 C +ATOM 742 C GLU B 94 -8.303 25.211 38.122 1.00 77.66 C +ATOM 743 O GLU B 94 -7.079 25.257 38.383 1.00 77.70 O +ATOM 744 CB GLU B 94 -8.473 24.795 40.579 1.00 77.62 C +ATOM 745 CG GLU B 94 -9.336 24.629 41.809 1.00 80.85 C +ATOM 746 CD GLU B 94 -8.591 24.965 43.082 1.00 83.60 C +ATOM 747 OE1 GLU B 94 -9.212 24.928 44.167 1.00 85.46 O +ATOM 748 OE2 GLU B 94 -7.382 25.269 42.996 1.00 84.97 O +ATOM 749 OXT GLU B 94 -8.788 25.443 36.986 1.00 79.05 O Added: SwiftApps/modFTdock/input/2yy0-2.pdb =================================================================== --- SwiftApps/modFTdock/input/2yy0-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/2yy0-2.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,741 @@ +ATOM 1 N GLU C 58 -4.091 16.502 73.278 1.00 64.68 N +ATOM 2 CA GLU C 58 -3.212 17.158 74.276 1.00 64.98 C +ATOM 3 C GLU C 58 -2.783 18.543 73.784 1.00 62.90 C +ATOM 4 O GLU C 58 -2.696 18.783 72.578 1.00 65.19 O +ATOM 5 CB GLU C 58 -1.976 16.289 74.552 1.00 68.16 C +ATOM 6 CG GLU C 58 -2.267 14.898 75.121 1.00 70.47 C +ATOM 7 CD GLU C 58 -1.154 14.394 76.041 1.00 74.69 C +ATOM 8 OE1 GLU C 58 0.033 14.512 75.663 1.00 74.58 O +ATOM 9 OE2 GLU C 58 -1.462 13.874 77.142 1.00 76.21 O +ATOM 10 N ASN C 59 -2.517 19.443 74.728 1.00 59.08 N +ATOM 11 CA ASN C 59 -2.117 20.815 74.433 1.00 54.94 C +ATOM 12 C ASN C 59 -0.608 20.960 74.628 1.00 51.16 C +ATOM 13 O ASN C 59 -0.100 20.864 75.748 1.00 47.47 O +ATOM 14 CB ASN C 59 -2.869 21.764 75.374 1.00 59.07 C +ATOM 15 CG ASN C 59 -2.697 23.222 75.008 1.00 61.60 C +ATOM 16 OD1 ASN C 59 -1.576 23.716 74.897 1.00 65.27 O +ATOM 17 ND2 ASN C 59 -3.815 23.926 74.826 1.00 63.76 N +ATOM 18 N PRO C 60 0.131 21.198 73.536 1.00 48.50 N +ATOM 19 CA PRO C 60 1.585 21.343 73.644 1.00 48.12 C +ATOM 20 C PRO C 60 2.003 22.441 74.635 1.00 47.50 C +ATOM 21 O PRO C 60 3.071 22.369 75.249 1.00 45.04 O +ATOM 22 CB PRO C 60 2.008 21.668 72.203 1.00 46.85 C +ATOM 23 CG PRO C 60 0.944 21.021 71.388 1.00 47.26 C +ATOM 24 CD PRO C 60 -0.305 21.387 72.144 1.00 45.36 C +ATOM 25 N GLU C 61 1.151 23.450 74.783 1.00 45.79 N +ATOM 26 CA GLU C 61 1.437 24.560 75.675 1.00 45.86 C +ATOM 27 C GLU C 61 1.358 24.110 77.133 1.00 43.56 C +ATOM 28 O GLU C 61 2.159 24.546 77.963 1.00 42.47 O +ATOM 29 CB GLU C 61 0.461 25.713 75.404 1.00 49.76 C +ATOM 30 CG GLU C 61 0.705 26.936 76.254 1.00 55.13 C +ATOM 31 CD GLU C 61 1.826 27.804 75.725 1.00 59.68 C +ATOM 32 OE1 GLU C 61 1.591 28.552 74.748 1.00 63.03 O +ATOM 33 OE2 GLU C 61 2.941 27.738 76.284 1.00 62.46 O +ATOM 34 N ILE C 62 0.389 23.247 77.438 1.00 41.61 N +ATOM 35 CA ILE C 62 0.211 22.703 78.786 1.00 40.74 C +ATOM 36 C ILE C 62 1.424 21.844 79.105 1.00 40.42 C +ATOM 37 O ILE C 62 2.104 22.048 80.109 1.00 40.37 O +ATOM 38 CB ILE C 62 -1.030 21.769 78.869 1.00 42.59 C +ATOM 39 CG1 ILE C 62 -2.313 22.594 78.903 1.00 41.70 C +ATOM 40 CG2 ILE C 62 -0.931 20.856 80.115 1.00 38.31 C +ATOM 41 CD1 ILE C 62 -2.551 23.236 80.224 1.00 44.57 C +ATOM 42 N GLU C 63 1.673 20.875 78.229 1.00 39.14 N +ATOM 43 CA GLU C 63 2.792 19.947 78.375 1.00 39.44 C +ATOM 44 C GLU C 63 4.143 20.631 78.455 1.00 37.01 C +ATOM 45 O GLU C 63 5.061 20.095 79.062 1.00 36.72 O +ATOM 46 CB GLU C 63 2.810 18.926 77.231 1.00 36.93 C +ATOM 47 CG GLU C 63 1.514 18.155 77.100 1.00 40.28 C +ATOM 48 CD GLU C 63 1.046 17.543 78.422 1.00 44.95 C +ATOM 49 OE1 GLU C 63 1.836 17.505 79.398 1.00 48.34 O +ATOM 50 OE2 GLU C 63 -0.117 17.089 78.480 1.00 45.70 O +ATOM 51 N LEU C 64 4.267 21.807 77.847 1.00 35.58 N +ATOM 52 CA LEU C 64 5.531 22.534 77.891 1.00 34.35 C +ATOM 53 C LEU C 64 5.717 23.192 79.256 1.00 33.83 C +ATOM 54 O LEU C 64 6.847 23.314 79.738 1.00 32.45 O +ATOM 55 CB LEU C 64 5.581 23.608 76.812 1.00 34.11 C +ATOM 56 CG LEU C 64 6.836 24.496 76.850 1.00 35.06 C +ATOM 57 CD1 LEU C 64 8.099 23.694 76.597 1.00 31.14 C +ATOM 58 CD2 LEU C 64 6.694 25.551 75.802 1.00 30.80 C +ATOM 59 N LEU C 65 4.611 23.608 79.874 1.00 31.30 N +ATOM 60 CA LEU C 65 4.684 24.240 81.181 1.00 30.38 C +ATOM 61 C LEU C 65 5.051 23.197 82.218 1.00 30.81 C +ATOM 62 O LEU C 65 5.783 23.500 83.159 1.00 30.80 O +ATOM 63 CB LEU C 65 3.364 24.884 81.566 1.00 31.36 C +ATOM 64 CG LEU C 65 3.002 26.167 80.838 1.00 33.19 C +ATOM 65 CD1 LEU C 65 1.553 26.454 81.160 1.00 29.57 C +ATOM 66 CD2 LEU C 65 3.920 27.322 81.259 1.00 31.11 C +ATOM 67 N ARG C 66 4.548 21.975 82.039 1.00 32.20 N +ATOM 68 CA ARG C 66 4.838 20.871 82.958 1.00 34.20 C +ATOM 69 C ARG C 66 6.287 20.427 82.786 1.00 34.09 C +ATOM 70 O ARG C 66 6.938 20.062 83.759 1.00 38.16 O +ATOM 71 CB ARG C 66 3.897 19.689 82.705 1.00 37.85 C +ATOM 72 CG ARG C 66 2.449 19.904 83.129 1.00 40.53 C +ATOM 73 CD ARG C 66 1.566 18.825 82.501 1.00 48.00 C +ATOM 74 NE ARG C 66 1.922 17.485 82.974 1.00 54.25 N +ATOM 75 CZ ARG C 66 1.458 16.947 84.101 1.00 55.17 C +ATOM 76 NH1 ARG C 66 0.610 17.632 84.858 1.00 56.68 N +ATOM 77 NH2 ARG C 66 1.861 15.742 84.490 1.00 53.85 N +ATOM 78 N LEU C 67 6.793 20.469 81.555 1.00 33.33 N +ATOM 79 CA LEU C 67 8.178 20.104 81.292 1.00 34.84 C +ATOM 80 C LEU C 67 9.022 21.121 82.045 1.00 37.38 C +ATOM 81 O LEU C 67 9.904 20.760 82.828 1.00 37.85 O +ATOM 82 CB LEU C 67 8.514 20.220 79.807 1.00 35.61 C +ATOM 83 CG LEU C 67 9.403 19.165 79.134 1.00 38.99 C +ATOM 84 CD1 LEU C 67 9.989 19.799 77.914 1.00 37.28 C +ATOM 85 CD2 LEU C 67 10.530 18.641 80.034 1.00 37.34 C +ATOM 86 N GLU C 68 8.741 22.399 81.806 1.00 37.09 N +ATOM 87 CA GLU C 68 9.478 23.471 82.470 1.00 38.48 C +ATOM 88 C GLU C 68 9.323 23.343 83.968 1.00 38.34 C +ATOM 89 O GLU C 68 10.240 23.640 84.719 1.00 36.56 O +ATOM 90 CB GLU C 68 8.966 24.843 82.013 1.00 38.94 C +ATOM 91 CG GLU C 68 9.278 25.127 80.561 1.00 41.23 C +ATOM 92 CD GLU C 68 8.867 26.506 80.106 1.00 41.98 C +ATOM 93 OE1 GLU C 68 9.172 27.504 80.802 1.00 42.02 O +ATOM 94 OE2 GLU C 68 8.256 26.591 79.023 1.00 46.26 O +ATOM 95 N LEU C 69 8.158 22.889 84.412 1.00 39.59 N +ATOM 96 CA LEU C 69 7.947 22.737 85.840 1.00 39.25 C +ATOM 97 C LEU C 69 8.820 21.632 86.424 1.00 39.97 C +ATOM 98 O LEU C 69 9.494 21.838 87.437 1.00 38.08 O +ATOM 99 CB LEU C 69 6.479 22.442 86.124 1.00 41.31 C +ATOM 100 CG LEU C 69 5.665 23.684 86.451 1.00 41.74 C +ATOM 101 CD1 LEU C 69 4.235 23.285 86.762 1.00 45.00 C +ATOM 102 CD2 LEU C 69 6.297 24.390 87.647 1.00 43.85 C +ATOM 103 N ALA C 70 8.804 20.460 85.791 1.00 39.52 N +ATOM 104 CA ALA C 70 9.607 19.332 86.263 1.00 43.33 C +ATOM 105 C ALA C 70 11.100 19.682 86.289 1.00 46.06 C +ATOM 106 O ALA C 70 11.803 19.309 87.222 1.00 46.26 O +ATOM 107 CB ALA C 70 9.362 18.086 85.371 1.00 41.20 C +ATOM 108 N GLU C 71 11.582 20.404 85.274 1.00 48.69 N +ATOM 109 CA GLU C 71 12.994 20.784 85.219 1.00 52.20 C +ATOM 110 C GLU C 71 13.359 21.873 86.224 1.00 52.85 C +ATOM 111 O GLU C 71 14.373 21.784 86.918 1.00 53.77 O +ATOM 112 CB GLU C 71 13.375 21.273 83.820 1.00 53.65 C +ATOM 113 CG GLU C 71 13.831 20.185 82.866 1.00 60.24 C +ATOM 114 CD GLU C 71 15.163 19.568 83.269 1.00 63.25 C +ATOM 115 OE1 GLU C 71 16.154 20.322 83.415 1.00 66.03 O +ATOM 116 OE2 GLU C 71 15.221 18.329 83.435 1.00 64.24 O +ATOM 117 N MET C 72 12.536 22.907 86.290 1.00 52.04 N +ATOM 118 CA MET C 72 12.803 24.006 87.197 1.00 53.04 C +ATOM 119 C MET C 72 12.877 23.451 88.612 1.00 53.27 C +ATOM 120 O MET C 72 13.546 24.024 89.472 1.00 51.56 O +ATOM 121 CB MET C 72 11.693 25.059 87.101 1.00 51.93 C +ATOM 122 CG MET C 72 12.037 26.409 87.715 1.00 55.14 C +ATOM 123 SD MET C 72 13.248 27.332 86.739 1.00 57.45 S +ATOM 124 CE MET C 72 14.571 27.457 87.896 1.00 59.33 C +ATOM 125 N LYS C 73 12.192 22.328 88.836 1.00 53.56 N +ATOM 126 CA LYS C 73 12.154 21.683 90.144 1.00 54.93 C +ATOM 127 C LYS C 73 13.469 20.970 90.482 1.00 55.02 C +ATOM 128 O LYS C 73 13.987 21.112 91.587 1.00 55.49 O +ATOM 129 CB LYS C 73 10.982 20.704 90.195 1.00 57.48 C +ATOM 130 CG LYS C 73 10.852 19.955 91.499 1.00 61.08 C +ATOM 131 CD LYS C 73 9.498 19.263 91.599 1.00 64.78 C +ATOM 132 CE LYS C 73 9.400 18.408 92.863 1.00 67.83 C +ATOM 133 NZ LYS C 73 10.448 17.331 92.903 1.00 67.85 N +ATOM 134 N GLU C 74 14.011 20.202 89.542 1.00 55.10 N +ATOM 135 CA GLU C 74 15.284 19.531 89.784 1.00 55.79 C +ATOM 136 C GLU C 74 16.378 20.575 90.005 1.00 55.55 C +ATOM 137 O GLU C 74 17.351 20.320 90.708 1.00 57.34 O +ATOM 138 CB GLU C 74 15.677 18.643 88.603 1.00 55.60 C +ATOM 139 CG GLU C 74 14.675 17.545 88.280 1.00 59.29 C +ATOM 140 CD GLU C 74 15.275 16.445 87.411 1.00 61.26 C +ATOM 141 OE1 GLU C 74 16.130 16.771 86.557 1.00 63.30 O +ATOM 142 OE2 GLU C 74 14.887 15.260 87.575 1.00 60.02 O +ATOM 143 N LYS C 75 16.226 21.748 89.401 1.00 54.35 N +ATOM 144 CA LYS C 75 17.221 22.808 89.561 1.00 54.32 C +ATOM 145 C LYS C 75 17.111 23.489 90.916 1.00 53.30 C +ATOM 146 O LYS C 75 18.109 23.892 91.507 1.00 52.45 O +ATOM 147 CB LYS C 75 17.071 23.854 88.461 1.00 54.23 C +ATOM 148 CG LYS C 75 17.728 23.446 87.171 1.00 55.04 C +ATOM 149 CD LYS C 75 17.372 24.399 86.053 1.00 54.73 C +ATOM 150 CE LYS C 75 18.317 24.203 84.883 1.00 56.72 C +ATOM 151 NZ LYS C 75 19.702 24.597 85.247 1.00 56.19 N +ATOM 152 N TYR C 76 15.883 23.618 91.397 1.00 52.13 N +ATOM 153 CA TYR C 76 15.636 24.239 92.678 1.00 51.80 C +ATOM 154 C TYR C 76 16.287 23.385 93.757 1.00 53.29 C +ATOM 155 O TYR C 76 16.976 23.896 94.641 1.00 52.42 O +ATOM 156 CB TYR C 76 14.135 24.331 92.920 1.00 49.70 C +ATOM 157 CG TYR C 76 13.787 25.020 94.206 1.00 47.91 C +ATOM 158 CD1 TYR C 76 13.015 24.380 95.174 1.00 47.51 C +ATOM 159 CD2 TYR C 76 14.213 26.322 94.452 1.00 46.91 C +ATOM 160 CE1 TYR C 76 12.673 25.024 96.358 1.00 47.73 C +ATOM 161 CE2 TYR C 76 13.876 26.977 95.628 1.00 46.15 C +ATOM 162 CZ TYR C 76 13.104 26.326 96.576 1.00 47.90 C +ATOM 163 OH TYR C 76 12.733 26.988 97.726 1.00 49.85 O +ATOM 164 N GLU C 77 16.064 22.079 93.686 1.00 54.93 N +ATOM 165 CA GLU C 77 16.650 21.174 94.665 1.00 57.68 C +ATOM 166 C GLU C 77 18.156 21.369 94.697 1.00 57.07 C +ATOM 167 O GLU C 77 18.756 21.479 95.762 1.00 57.05 O +ATOM 168 CB GLU C 77 16.338 19.715 94.314 1.00 61.45 C +ATOM 169 CG GLU C 77 15.072 19.165 94.950 1.00 66.87 C +ATOM 170 CD GLU C 77 13.810 19.789 94.395 1.00 70.40 C +ATOM 171 OE1 GLU C 77 13.667 21.030 94.475 1.00 73.86 O +ATOM 172 OE2 GLU C 77 12.957 19.035 93.880 1.00 73.64 O +ATOM 173 N ALA C 78 18.755 21.428 93.515 1.00 56.45 N +ATOM 174 CA ALA C 78 20.191 21.590 93.381 1.00 55.74 C +ATOM 175 C ALA C 78 20.728 22.854 94.047 1.00 56.50 C +ATOM 176 O ALA C 78 21.728 22.808 94.759 1.00 57.38 O +ATOM 177 CB ALA C 78 20.566 21.564 91.912 1.00 54.74 C +ATOM 178 N ILE C 79 20.073 23.983 93.820 1.00 56.69 N +ATOM 179 CA ILE C 79 20.518 25.229 94.424 1.00 57.01 C +ATOM 180 C ILE C 79 20.264 25.228 95.929 1.00 56.45 C +ATOM 181 O ILE C 79 20.994 25.864 96.682 1.00 57.05 O +ATOM 182 CB ILE C 79 19.793 26.446 93.814 1.00 58.19 C +ATOM 183 CG1 ILE C 79 18.299 26.375 94.129 1.00 58.27 C +ATOM 184 CG2 ILE C 79 20.007 26.471 92.322 1.00 60.80 C +ATOM 185 CD1 ILE C 79 17.552 27.648 93.858 1.00 59.67 C +ATOM 186 N VAL C 80 19.215 24.540 96.366 1.00 55.45 N +ATOM 187 CA VAL C 80 18.908 24.481 97.791 1.00 56.66 C +ATOM 188 C VAL C 80 20.037 23.742 98.504 1.00 57.78 C +ATOM 189 O VAL C 80 20.533 24.195 99.535 1.00 57.03 O +ATOM 190 CB VAL C 80 17.561 23.749 98.064 1.00 55.84 C +ATOM 191 CG1 VAL C 80 17.438 23.404 99.538 1.00 52.36 C +ATOM 192 CG2 VAL C 80 16.388 24.632 97.631 1.00 55.90 C +ATOM 193 N GLU C 81 20.437 22.609 97.936 1.00 59.36 N +ATOM 194 CA GLU C 81 21.512 21.796 98.487 1.00 61.82 C +ATOM 195 C GLU C 81 22.818 22.573 98.427 1.00 61.91 C +ATOM 196 O GLU C 81 23.720 22.335 99.223 1.00 63.29 O +ATOM 197 CB GLU C 81 21.638 20.484 97.699 1.00 64.46 C +ATOM 198 CG GLU C 81 22.851 19.627 98.056 1.00 69.64 C +ATOM 199 CD GLU C 81 22.782 18.211 97.469 1.00 73.53 C +ATOM 200 OE1 GLU C 81 23.803 17.484 97.535 1.00 74.24 O +ATOM 201 OE2 GLU C 81 21.706 17.821 96.953 1.00 73.36 O +ATOM 202 N GLU C 82 22.912 23.503 97.482 1.00 61.74 N +ATOM 203 CA GLU C 82 24.107 24.330 97.325 1.00 62.58 C +ATOM 204 C GLU C 82 24.048 25.498 98.312 1.00 60.97 C +ATOM 205 O GLU C 82 25.064 26.100 98.653 1.00 61.69 O +ATOM 206 CB GLU C 82 24.191 24.868 95.891 1.00 64.52 C +ATOM 207 CG GLU C 82 25.407 25.743 95.585 1.00 67.58 C +ATOM 208 CD GLU C 82 26.733 24.997 95.712 1.00 71.22 C +ATOM 209 OE1 GLU C 82 26.786 23.784 95.405 1.00 73.57 O +ATOM 210 OE2 GLU C 82 27.734 25.628 96.105 1.00 71.94 O +ATOM 211 N ASN C 83 22.844 25.809 98.767 1.00 58.70 N +ATOM 212 CA ASN C 83 22.645 26.898 99.709 1.00 56.62 C +ATOM 213 C ASN C 83 23.025 26.453 101.120 1.00 56.26 C +ATOM 214 O ASN C 83 23.609 27.214 101.886 1.00 55.31 O +ATOM 215 CB ASN C 83 21.186 27.337 99.690 1.00 53.14 C +ATOM 216 CG ASN C 83 20.917 28.482 100.634 1.00 50.77 C +ATOM 217 OD1 ASN C 83 21.406 29.591 100.425 1.00 49.63 O +ATOM 218 ND2 ASN C 83 20.140 28.223 101.684 1.00 47.44 N +ATOM 219 N LYS C 84 22.678 25.219 101.464 1.00 56.76 N +ATOM 220 CA LYS C 84 23.002 24.686 102.779 1.00 58.16 C +ATOM 221 C LYS C 84 24.508 24.493 102.832 1.00 58.04 C +ATOM 222 O LYS C 84 25.149 24.755 103.846 1.00 57.96 O +ATOM 223 CB LYS C 84 22.287 23.352 103.004 1.00 59.47 C +ATOM 224 CG LYS C 84 20.814 23.376 102.624 1.00 61.74 C +ATOM 225 CD LYS C 84 20.108 24.604 103.209 1.00 65.02 C +ATOM 226 CE LYS C 84 18.766 24.868 102.530 1.00 65.69 C +ATOM 227 NZ LYS C 84 18.183 26.172 102.941 1.00 64.70 N +ATOM 228 N LYS C 85 25.066 24.043 101.716 1.00 58.84 N +ATOM 229 CA LYS C 85 26.499 23.819 101.614 1.00 59.88 C +ATOM 230 C LYS C 85 27.238 25.126 101.910 1.00 58.95 C +ATOM 231 O LYS C 85 28.210 25.141 102.667 1.00 59.16 O +ATOM 232 CB LYS C 85 26.846 23.314 100.210 1.00 61.87 C +ATOM 233 CG LYS C 85 28.131 22.508 100.130 1.00 64.01 C +ATOM 234 CD LYS C 85 28.338 21.932 98.737 1.00 65.86 C +ATOM 235 CE LYS C 85 29.529 20.982 98.705 1.00 68.02 C +ATOM 236 NZ LYS C 85 29.354 19.826 99.644 1.00 68.84 N +ATOM 237 N LEU C 86 26.761 26.220 101.324 1.00 57.42 N +ATOM 238 CA LEU C 86 27.373 27.527 101.527 1.00 56.29 C +ATOM 239 C LEU C 86 27.280 28.021 102.968 1.00 56.22 C +ATOM 240 O LEU C 86 28.290 28.380 103.568 1.00 57.14 O +ATOM 241 CB LEU C 86 26.736 28.556 100.584 1.00 56.91 C +ATOM 242 CG LEU C 86 27.316 28.702 99.166 1.00 57.59 C +ATOM 243 CD1 LEU C 86 27.652 27.345 98.583 1.00 55.17 C +ATOM 244 CD2 LEU C 86 26.320 29.435 98.278 1.00 54.66 C +ATOM 245 N LYS C 87 26.067 28.051 103.519 1.00 56.25 N +ATOM 246 CA LYS C 87 25.859 28.513 104.883 1.00 55.07 C +ATOM 247 C LYS C 87 26.785 27.781 105.841 1.00 56.88 C +ATOM 248 O LYS C 87 27.367 28.391 106.734 1.00 57.33 O +ATOM 249 CB LYS C 87 24.411 28.287 105.316 1.00 54.00 C +ATOM 250 CG LYS C 87 23.409 29.303 104.772 1.00 51.19 C +ATOM 251 CD LYS C 87 21.986 28.986 105.238 1.00 45.10 C +ATOM 252 CE LYS C 87 21.482 27.682 104.603 1.00 43.73 C +ATOM 253 NZ LYS C 87 20.100 27.321 105.037 1.00 41.86 N +ATOM 254 N ALA C 88 26.915 26.472 105.650 1.00 57.18 N +ATOM 255 CA ALA C 88 27.773 25.656 106.503 1.00 58.95 C +ATOM 256 C ALA C 88 29.215 26.131 106.414 1.00 60.14 C +ATOM 257 O ALA C 88 29.839 26.457 107.424 1.00 60.62 O +ATOM 258 CB ALA C 88 27.686 24.196 106.091 1.00 57.05 C +ATOM 259 N LYS C 89 29.745 26.165 105.198 1.00 61.61 N +ATOM 260 CA LYS C 89 31.114 26.605 105.006 1.00 62.80 C +ATOM 261 C LYS C 89 31.325 27.971 105.665 1.00 63.24 C +ATOM 262 O LYS C 89 32.324 28.193 106.347 1.00 65.01 O +ATOM 263 CB LYS C 89 31.439 26.681 103.513 1.00 63.06 C +ATOM 264 CG LYS C 89 32.891 27.034 103.217 1.00 66.73 C +ATOM 265 CD LYS C 89 33.145 27.236 101.718 1.00 68.86 C +ATOM 266 CE LYS C 89 34.616 27.540 101.432 1.00 68.84 C +ATOM 267 NZ LYS C 89 34.832 27.999 100.027 1.00 68.73 N +ATOM 268 N LEU C 90 30.368 28.875 105.488 1.00 62.06 N +ATOM 269 CA LEU C 90 30.486 30.212 106.054 1.00 62.07 C +ATOM 270 C LEU C 90 30.386 30.273 107.576 1.00 62.65 C +ATOM 271 O LEU C 90 30.907 31.198 108.196 1.00 61.16 O +ATOM 272 CB LEU C 90 29.422 31.135 105.458 1.00 60.32 C +ATOM 273 CG LEU C 90 29.520 32.572 105.965 1.00 58.46 C +ATOM 274 CD1 LEU C 90 30.863 33.136 105.548 1.00 60.95 C +ATOM 275 CD2 LEU C 90 28.400 33.420 105.404 1.00 58.76 C +ATOM 276 N ALA C 91 29.709 29.295 108.168 1.00 64.10 N +ATOM 277 CA ALA C 91 29.510 29.249 109.616 1.00 65.59 C +ATOM 278 C ALA C 91 30.810 29.038 110.386 1.00 67.70 C +ATOM 279 O ALA C 91 30.961 29.511 111.518 1.00 67.08 O +ATOM 280 CB ALA C 91 28.512 28.144 109.968 1.00 64.10 C +ATOM 281 N GLN C 92 31.745 28.320 109.775 1.00 69.57 N +ATOM 282 CA GLN C 92 33.020 28.058 110.418 1.00 71.56 C +ATOM 283 C GLN C 92 33.881 29.317 110.455 1.00 71.91 C +ATOM 284 O GLN C 92 34.720 29.472 111.343 1.00 72.71 O +ATOM 285 CB GLN C 92 33.730 26.913 109.696 1.00 72.47 C +ATOM 286 CG GLN C 92 32.877 25.648 109.673 1.00 76.30 C +ATOM 287 CD GLN C 92 33.593 24.439 109.101 1.00 78.21 C +ATOM 288 OE1 GLN C 92 34.559 23.935 109.682 1.00 79.03 O +ATOM 289 NE2 GLN C 92 33.118 23.962 107.953 1.00 79.23 N +ATOM 290 N TYR C 93 33.652 30.228 109.511 1.00 72.13 N +ATOM 291 CA TYR C 93 34.408 31.484 109.444 1.00 72.55 C +ATOM 292 C TYR C 93 33.711 32.601 110.209 1.00 70.90 C +ATOM 293 O TYR C 93 34.169 33.742 110.202 1.00 71.00 O +ATOM 294 CB TYR C 93 34.590 31.954 107.991 1.00 74.76 C +ATOM 295 CG TYR C 93 35.257 30.966 107.065 1.00 76.84 C +ATOM 296 CD1 TYR C 93 34.552 29.879 106.549 1.00 78.11 C +ATOM 297 CD2 TYR C 93 36.586 31.133 106.679 1.00 78.19 C +ATOM 298 CE1 TYR C 93 35.152 28.986 105.666 1.00 78.24 C +ATOM 299 CE2 TYR C 93 37.194 30.245 105.799 1.00 78.20 C +ATOM 300 CZ TYR C 93 36.470 29.177 105.296 1.00 78.82 C +ATOM 301 OH TYR C 93 37.057 28.313 104.404 1.00 80.62 O +ATOM 302 N GLU C 94 32.597 32.273 110.855 1.00 70.80 N +ATOM 303 CA GLU C 94 31.831 33.256 111.613 1.00 69.83 C +ATOM 304 C GLU C 94 32.333 33.376 113.049 1.00 69.80 C +ATOM 305 O GLU C 94 33.171 32.538 113.452 1.00 69.90 O +ATOM 306 CB GLU C 94 30.348 32.870 111.616 1.00 70.65 C +ATOM 307 CG GLU C 94 29.617 33.109 110.302 1.00 71.55 C +ATOM 308 CD GLU C 94 29.480 34.587 109.968 1.00 73.79 C +ATOM 309 OE1 GLU C 94 29.022 35.361 110.838 1.00 72.82 O +ATOM 310 OE2 GLU C 94 29.822 34.977 108.830 1.00 75.88 O +ATOM 311 OXT GLU C 94 31.876 34.303 113.753 1.00 67.81 O +ATOM 313 N ASN D 42 -25.983 33.915 64.884 1.00 85.05 N +ATOM 314 CA ASN D 42 -24.857 34.560 64.148 1.00 84.73 C +ATOM 315 C ASN D 42 -23.754 34.991 65.105 1.00 84.57 C +ATOM 316 O ASN D 42 -22.633 34.488 65.045 1.00 84.64 O +ATOM 317 CB ASN D 42 -25.362 35.778 63.362 1.00 84.53 C +ATOM 318 CG ASN D 42 -26.190 36.731 64.217 1.00 85.23 C +ATOM 319 OD1 ASN D 42 -27.292 36.391 64.660 1.00 84.96 O +ATOM 320 ND2 ASN D 42 -25.659 37.931 64.454 1.00 83.75 N +ATOM 321 N SER D 43 -24.081 35.929 65.987 1.00 84.81 N +ATOM 322 CA SER D 43 -23.129 36.444 66.968 1.00 84.69 C +ATOM 323 C SER D 43 -22.835 35.362 68.005 1.00 84.48 C +ATOM 324 O SER D 43 -21.674 35.065 68.301 1.00 83.29 O +ATOM 325 CB SER D 43 -23.713 37.690 67.653 1.00 84.46 C +ATOM 326 OG SER D 43 -22.796 38.266 68.561 1.00 84.01 O +ATOM 327 N ALA D 44 -23.907 34.780 68.543 1.00 84.04 N +ATOM 328 CA ALA D 44 -23.813 33.724 69.543 1.00 83.49 C +ATOM 329 C ALA D 44 -23.186 32.476 68.934 1.00 83.09 C +ATOM 330 O ALA D 44 -22.632 31.637 69.644 1.00 82.66 O +ATOM 331 CB ALA D 44 -25.201 33.398 70.086 1.00 84.64 C +ATOM 332 N LEU D 45 -23.287 32.358 67.614 1.00 82.25 N +ATOM 333 CA LEU D 45 -22.725 31.223 66.901 1.00 81.97 C +ATOM 334 C LEU D 45 -21.230 31.484 66.754 1.00 81.37 C +ATOM 335 O LEU D 45 -20.409 30.570 66.862 1.00 80.87 O +ATOM 336 CB LEU D 45 -23.387 31.094 65.524 1.00 82.82 C +ATOM 337 CG LEU D 45 -23.144 29.843 64.675 1.00 83.87 C +ATOM 338 CD1 LEU D 45 -24.009 29.931 63.429 1.00 85.26 C +ATOM 339 CD2 LEU D 45 -21.677 29.718 64.286 1.00 84.80 C +ATOM 340 N ASP D 46 -20.885 32.744 66.512 1.00 80.93 N +ATOM 341 CA ASP D 46 -19.492 33.138 66.360 1.00 80.85 C +ATOM 342 C ASP D 46 -18.835 33.054 67.730 1.00 79.60 C +ATOM 343 O ASP D 46 -17.641 32.787 67.853 1.00 78.62 O +ATOM 344 CB ASP D 46 -19.402 34.571 65.829 1.00 82.02 C +ATOM 345 CG ASP D 46 -17.970 35.020 65.607 1.00 83.76 C +ATOM 346 OD1 ASP D 46 -17.768 36.208 65.273 1.00 85.07 O +ATOM 347 OD2 ASP D 46 -17.047 34.187 65.762 1.00 84.20 O +ATOM 348 N PHE D 47 -19.641 33.290 68.757 1.00 78.59 N +ATOM 349 CA PHE D 47 -19.188 33.241 70.136 1.00 78.19 C +ATOM 350 C PHE D 47 -18.808 31.808 70.518 1.00 74.96 C +ATOM 351 O PHE D 47 -17.814 31.585 71.212 1.00 73.74 O +ATOM 352 CB PHE D 47 -20.302 33.769 71.035 1.00 83.39 C +ATOM 353 CG PHE D 47 -19.972 33.757 72.496 1.00 89.56 C +ATOM 354 CD1 PHE D 47 -19.989 32.569 73.220 1.00 92.23 C +ATOM 355 CD2 PHE D 47 -19.670 34.940 73.163 1.00 92.28 C +ATOM 356 CE1 PHE D 47 -19.716 32.557 74.588 1.00 93.55 C +ATOM 357 CE2 PHE D 47 -19.396 34.938 74.531 1.00 93.98 C +ATOM 358 CZ PHE D 47 -19.418 33.743 75.244 1.00 94.24 C +ATOM 359 N LEU D 48 -19.609 30.847 70.060 1.00 71.45 N +ATOM 360 CA LEU D 48 -19.370 29.432 70.322 1.00 68.12 C +ATOM 361 C LEU D 48 -18.141 28.992 69.539 1.00 66.74 C +ATOM 362 O LEU D 48 -17.345 28.180 70.006 1.00 65.86 O +ATOM 363 CB LEU D 48 -20.572 28.602 69.885 1.00 66.78 C +ATOM 364 CG LEU D 48 -20.379 27.086 69.887 1.00 66.88 C +ATOM 365 CD1 LEU D 48 -20.218 26.590 71.318 1.00 65.91 C +ATOM 366 CD2 LEU D 48 -21.571 26.416 69.215 1.00 66.44 C +ATOM 367 N LYS D 49 -17.994 29.523 68.335 1.00 65.81 N +ATOM 368 CA LYS D 49 -16.834 29.190 67.526 1.00 65.55 C +ATOM 369 C LYS D 49 -15.613 29.808 68.186 1.00 64.06 C +ATOM 370 O LYS D 49 -14.544 29.208 68.207 1.00 63.98 O +ATOM 371 CB LYS D 49 -16.994 29.725 66.101 1.00 67.21 C +ATOM 372 CG LYS D 49 -18.003 28.958 65.241 1.00 70.56 C +ATOM 373 CD LYS D 49 -17.401 27.696 64.609 1.00 72.65 C +ATOM 374 CE LYS D 49 -17.095 26.608 65.628 1.00 73.10 C +ATOM 375 NZ LYS D 49 -16.459 25.421 64.983 1.00 74.64 N +ATOM 376 N HIS D 50 -15.779 31.006 68.740 1.00 62.60 N +ATOM 377 CA HIS D 50 -14.669 31.678 69.401 1.00 61.69 C +ATOM 378 C HIS D 50 -14.210 30.832 70.566 1.00 62.67 C +ATOM 379 O HIS D 50 -13.022 30.801 70.887 1.00 62.77 O +ATOM 380 CB HIS D 50 -15.078 33.069 69.892 1.00 58.54 C +ATOM 381 CG HIS D 50 -14.008 33.772 70.671 1.00 55.69 C +ATOM 382 ND1 HIS D 50 -13.845 33.604 72.030 1.00 54.70 N +ATOM 383 CD2 HIS D 50 -13.033 34.625 70.278 1.00 54.68 C +ATOM 384 CE1 HIS D 50 -12.817 34.327 72.442 1.00 53.46 C +ATOM 385 NE2 HIS D 50 -12.307 34.955 71.398 1.00 55.12 N +ATOM 386 N HIS D 51 -15.153 30.130 71.184 1.00 64.61 N +ATOM 387 CA HIS D 51 -14.837 29.265 72.313 1.00 68.76 C +ATOM 388 C HIS D 51 -13.970 28.066 71.973 1.00 71.08 C +ATOM 389 O HIS D 51 -13.841 27.132 72.766 1.00 71.69 O +ATOM 390 CB HIS D 51 -16.108 28.778 72.986 1.00 68.90 C +ATOM 391 CG HIS D 51 -16.581 29.690 74.061 1.00 68.57 C +ATOM 392 ND1 HIS D 51 -15.719 30.505 74.760 1.00 69.52 N +ATOM 393 CD2 HIS D 51 -17.809 29.899 74.583 1.00 69.58 C +ATOM 394 CE1 HIS D 51 -16.396 31.181 75.667 1.00 70.22 C +ATOM 395 NE2 HIS D 51 -17.667 30.831 75.582 1.00 71.62 N +ATOM 396 N LEU D 52 -13.391 28.094 70.783 1.00 74.22 N +ATOM 397 CA LEU D 52 -12.504 27.043 70.315 1.00 76.72 C +ATOM 398 C LEU D 52 -11.603 27.731 69.299 1.00 78.69 C +ATOM 399 O LEU D 52 -11.766 27.551 68.092 1.00 78.92 O +ATOM 400 CB LEU D 52 -13.303 25.914 69.655 1.00 77.43 C +ATOM 401 CG LEU D 52 -14.812 26.077 69.430 1.00 78.36 C +ATOM 402 CD1 LEU D 52 -15.297 25.017 68.461 1.00 79.14 C +ATOM 403 CD2 LEU D 52 -15.562 25.951 70.736 1.00 79.07 C +ATOM 404 N GLY D 53 -10.664 28.537 69.796 1.00 80.75 N +ATOM 405 CA GLY D 53 -9.771 29.270 68.913 1.00 83.08 C +ATOM 406 C GLY D 53 -8.305 28.872 68.925 1.00 84.90 C +ATOM 407 O GLY D 53 -7.875 28.065 69.750 1.00 84.97 O +ATOM 408 N ALA D 54 -7.538 29.453 68.002 1.00 86.28 N +ATOM 409 CA ALA D 54 -6.110 29.167 67.880 1.00 87.82 C +ATOM 410 C ALA D 54 -5.223 30.197 68.587 1.00 88.67 C +ATOM 411 O ALA D 54 -4.296 29.828 69.312 1.00 89.60 O +ATOM 412 CB ALA D 54 -5.724 29.075 66.403 1.00 87.05 C +ATOM 413 N ALA D 55 -5.506 31.482 68.372 1.00 88.81 N +ATOM 414 CA ALA D 55 -4.726 32.555 68.983 1.00 87.70 C +ATOM 415 C ALA D 55 -4.444 32.267 70.456 1.00 87.32 C +ATOM 416 O ALA D 55 -5.314 32.451 71.308 1.00 88.29 O +ATOM 417 CB ALA D 55 -5.459 33.885 68.836 1.00 87.13 C +ATOM 418 N THR D 56 -3.226 31.798 70.729 1.00 85.46 N +ATOM 419 CA THR D 56 -2.741 31.466 72.075 1.00 83.05 C +ATOM 420 C THR D 56 -3.734 30.809 73.055 1.00 79.90 C +ATOM 421 O THR D 56 -4.752 31.398 73.419 1.00 79.62 O +ATOM 422 CB THR D 56 -2.128 32.723 72.754 1.00 84.28 C +ATOM 423 OG1 THR D 56 -3.153 33.693 73.011 1.00 84.54 O +ATOM 424 CG2 THR D 56 -1.072 33.344 71.849 1.00 84.23 C +ATOM 425 N PRO D 57 -3.429 29.577 73.508 1.00 76.72 N +ATOM 426 CA PRO D 57 -4.275 28.825 74.445 1.00 73.34 C +ATOM 427 C PRO D 57 -4.461 29.548 75.778 1.00 69.22 C +ATOM 428 O PRO D 57 -3.495 29.992 76.396 1.00 67.92 O +ATOM 429 CB PRO D 57 -3.519 27.509 74.619 1.00 75.19 C +ATOM 430 CG PRO D 57 -2.767 27.370 73.341 1.00 76.86 C +ATOM 431 CD PRO D 57 -2.264 28.771 73.107 1.00 77.14 C +ATOM 432 N GLU D 58 -5.709 29.663 76.214 1.00 64.13 N +ATOM 433 CA GLU D 58 -6.012 30.333 77.466 1.00 60.13 C +ATOM 434 C GLU D 58 -7.119 29.616 78.209 1.00 56.28 C +ATOM 435 O GLU D 58 -8.306 29.909 78.016 1.00 57.87 O +ATOM 436 CB GLU D 58 -6.434 31.795 77.220 1.00 64.44 C +ATOM 437 CG GLU D 58 -5.279 32.792 77.006 1.00 67.54 C +ATOM 438 CD GLU D 58 -4.782 33.417 78.300 1.00 69.22 C +ATOM 439 OE1 GLU D 58 -5.524 34.225 78.882 1.00 70.37 O +ATOM 440 OE2 GLU D 58 -3.656 33.102 78.744 1.00 72.66 O +ATOM 441 N ASN D 59 -6.740 28.662 79.048 1.00 48.61 N +ATOM 442 CA ASN D 59 -7.726 27.947 79.838 1.00 43.07 C +ATOM 443 C ASN D 59 -7.255 27.935 81.294 1.00 39.96 C +ATOM 444 O ASN D 59 -6.073 28.120 81.574 1.00 38.20 O +ATOM 445 CB ASN D 59 -7.937 26.516 79.299 1.00 39.56 C +ATOM 446 CG ASN D 59 -6.727 25.625 79.485 1.00 37.25 C +ATOM 447 OD1 ASN D 59 -6.007 25.726 80.470 1.00 38.87 O +ATOM 448 ND2 ASN D 59 -6.516 24.730 78.548 1.00 37.29 N +ATOM 449 N PRO D 60 -8.180 27.727 82.239 1.00 37.46 N +ATOM 450 CA PRO D 60 -7.866 27.695 83.669 1.00 37.92 C +ATOM 451 C PRO D 60 -6.626 26.852 84.047 1.00 36.46 C +ATOM 452 O PRO D 60 -5.814 27.268 84.869 1.00 35.58 O +ATOM 453 CB PRO D 60 -9.144 27.124 84.285 1.00 36.69 C +ATOM 454 CG PRO D 60 -10.192 27.566 83.360 1.00 36.30 C +ATOM 455 CD PRO D 60 -9.584 27.341 82.007 1.00 34.63 C +ATOM 456 N GLU D 61 -6.493 25.673 83.457 1.00 35.50 N +ATOM 457 CA GLU D 61 -5.360 24.803 83.769 1.00 38.71 C +ATOM 458 C GLU D 61 -4.021 25.447 83.424 1.00 38.98 C +ATOM 459 O GLU D 61 -3.027 25.263 84.129 1.00 39.62 O +ATOM 460 CB GLU D 61 -5.471 23.486 83.011 1.00 36.30 C +ATOM 461 CG GLU D 61 -4.262 22.574 83.202 1.00 43.13 C +ATOM 462 CD GLU D 61 -4.002 22.245 84.671 1.00 47.69 C +ATOM 463 OE1 GLU D 61 -2.949 21.634 84.970 1.00 51.04 O +ATOM 464 OE2 GLU D 61 -4.852 22.596 85.527 1.00 50.66 O +ATOM 465 N ILE D 62 -4.002 26.184 82.324 1.00 38.41 N +ATOM 466 CA ILE D 62 -2.795 26.845 81.869 1.00 40.64 C +ATOM 467 C ILE D 62 -2.399 27.990 82.800 1.00 38.15 C +ATOM 468 O ILE D 62 -1.226 28.250 82.995 1.00 38.58 O +ATOM 469 CB ILE D 62 -2.984 27.378 80.424 1.00 42.46 C +ATOM 470 CG1 ILE D 62 -2.843 26.212 79.438 1.00 44.28 C +ATOM 471 CG2 ILE D 62 -1.979 28.488 80.124 1.00 44.39 C +ATOM 472 CD1 ILE D 62 -3.314 26.517 78.030 1.00 45.24 C +ATOM 473 N GLU D 63 -3.372 28.659 83.394 1.00 36.15 N +ATOM 474 CA GLU D 63 -3.031 29.771 84.264 1.00 37.56 C +ATOM 475 C GLU D 63 -2.419 29.205 85.539 1.00 33.80 C +ATOM 476 O GLU D 63 -1.454 29.742 86.077 1.00 33.37 O +ATOM 477 CB GLU D 63 -4.275 30.617 84.565 1.00 35.07 C +ATOM 478 CG GLU D 63 -5.095 30.959 83.324 1.00 41.23 C +ATOM 479 CD GLU D 63 -4.363 31.874 82.331 1.00 45.31 C +ATOM 480 OE1 GLU D 63 -3.122 32.019 82.424 1.00 42.36 O +ATOM 481 OE2 GLU D 63 -5.038 32.446 81.443 1.00 49.33 O +ATOM 482 N LEU D 64 -2.971 28.102 86.010 1.00 32.28 N +ATOM 483 CA LEU D 64 -2.450 27.482 87.222 1.00 31.19 C +ATOM 484 C LEU D 64 -1.000 27.088 87.000 1.00 27.71 C +ATOM 485 O LEU D 64 -0.145 27.460 87.785 1.00 29.51 O +ATOM 486 CB LEU D 64 -3.288 26.268 87.614 1.00 26.94 C +ATOM 487 CG LEU D 64 -2.866 25.605 88.921 1.00 29.82 C +ATOM 488 CD1 LEU D 64 -2.766 26.631 90.052 1.00 28.96 C +ATOM 489 CD2 LEU D 64 -3.872 24.531 89.264 1.00 28.45 C +ATOM 490 N LEU D 65 -0.717 26.372 85.922 1.00 26.54 N +ATOM 491 CA LEU D 65 0.666 25.975 85.620 1.00 28.03 C +ATOM 492 C LEU D 65 1.622 27.161 85.510 1.00 26.05 C +ATOM 493 O LEU D 65 2.747 27.090 85.975 1.00 31.08 O +ATOM 494 CB LEU D 65 0.714 25.140 84.335 1.00 26.79 C +ATOM 495 CG LEU D 65 0.058 23.755 84.554 1.00 30.02 C +ATOM 496 CD1 LEU D 65 -0.162 23.007 83.256 1.00 24.26 C +ATOM 497 CD2 LEU D 65 0.948 22.947 85.472 1.00 31.31 C +ATOM 498 N ARG D 66 1.175 28.245 84.896 1.00 28.49 N +ATOM 499 CA ARG D 66 1.987 29.454 84.727 1.00 28.82 C +ATOM 500 C ARG D 66 2.304 30.098 86.076 1.00 26.60 C +ATOM 501 O ARG D 66 3.409 30.594 86.290 1.00 27.60 O +ATOM 502 CB ARG D 66 1.240 30.469 83.867 1.00 28.26 C +ATOM 503 CG ARG D 66 1.334 30.258 82.389 1.00 29.56 C +ATOM 504 CD ARG D 66 0.373 31.242 81.679 1.00 34.53 C +ATOM 505 NE ARG D 66 0.652 31.336 80.256 1.00 38.15 N +ATOM 506 CZ ARG D 66 -0.243 31.645 79.322 1.00 41.34 C +ATOM 507 NH1 ARG D 66 -1.518 31.895 79.642 1.00 38.93 N +ATOM 508 NH2 ARG D 66 0.150 31.703 78.055 1.00 38.74 N +ATOM 509 N LEU D 67 1.307 30.104 86.958 1.00 26.43 N +ATOM 510 CA LEU D 67 1.418 30.640 88.309 1.00 28.24 C +ATOM 511 C LEU D 67 2.368 29.759 89.106 1.00 29.93 C +ATOM 512 O LEU D 67 3.181 30.251 89.887 1.00 30.20 O +ATOM 513 CB LEU D 67 0.037 30.650 89.003 1.00 30.00 C +ATOM 514 CG LEU D 67 -0.048 30.999 90.509 1.00 31.49 C +ATOM 515 CD1 LEU D 67 0.564 32.378 90.783 1.00 28.20 C +ATOM 516 CD2 LEU D 67 -1.512 31.000 90.961 1.00 32.35 C +ATOM 517 N GLU D 68 2.265 28.448 88.913 1.00 30.34 N +ATOM 518 CA GLU D 68 3.142 27.545 89.637 1.00 33.04 C +ATOM 519 C GLU D 68 4.553 27.744 89.124 1.00 33.01 C +ATOM 520 O GLU D 68 5.505 27.655 89.878 1.00 31.69 O +ATOM 521 CB GLU D 68 2.740 26.090 89.408 1.00 34.64 C +ATOM 522 CG GLU D 68 1.429 25.707 90.025 1.00 38.74 C +ATOM 523 CD GLU D 68 1.019 24.307 89.649 1.00 43.97 C +ATOM 524 OE1 GLU D 68 0.175 23.718 90.363 1.00 45.63 O +ATOM 525 OE2 GLU D 68 1.535 23.801 88.629 1.00 46.96 O +ATOM 526 N LEU D 69 4.686 28.015 87.832 1.00 31.80 N +ATOM 527 CA LEU D 69 6.007 28.176 87.276 1.00 30.99 C +ATOM 528 C LEU D 69 6.575 29.531 87.728 1.00 34.86 C +ATOM 529 O LEU D 69 7.784 29.691 87.851 1.00 32.72 O +ATOM 530 CB LEU D 69 5.949 28.051 85.756 1.00 27.41 C +ATOM 531 CG LEU D 69 7.313 28.084 85.052 1.00 30.91 C +ATOM 532 CD1 LEU D 69 8.113 26.836 85.447 1.00 30.25 C +ATOM 533 CD2 LEU D 69 7.129 28.157 83.528 1.00 28.64 C +ATOM 534 N ALA D 70 5.696 30.490 88.006 1.00 35.21 N +ATOM 535 CA ALA D 70 6.140 31.794 88.464 1.00 37.39 C +ATOM 536 C ALA D 70 6.604 31.667 89.916 1.00 38.29 C +ATOM 537 O ALA D 70 7.637 32.200 90.299 1.00 38.52 O +ATOM 538 CB ALA D 70 4.996 32.810 88.358 1.00 34.27 C +ATOM 539 N GLU D 71 5.817 30.968 90.718 1.00 39.31 N +ATOM 540 CA GLU D 71 6.141 30.747 92.119 1.00 42.49 C +ATOM 541 C GLU D 71 7.452 29.984 92.269 1.00 41.60 C +ATOM 542 O GLU D 71 8.252 30.278 93.153 1.00 43.75 O +ATOM 543 CB GLU D 71 5.000 29.993 92.801 1.00 44.17 C +ATOM 544 CG GLU D 71 3.709 30.802 92.766 1.00 49.35 C +ATOM 545 CD GLU D 71 2.527 30.109 93.409 1.00 52.29 C +ATOM 546 OE1 GLU D 71 2.200 28.971 93.012 1.00 57.12 O +ATOM 547 OE2 GLU D 71 1.910 30.715 94.308 1.00 53.17 O +ATOM 548 N MET D 72 7.679 29.011 91.405 1.00 39.88 N +ATOM 549 CA MET D 72 8.920 28.250 91.459 1.00 41.37 C +ATOM 550 C MET D 72 10.094 29.117 91.010 1.00 40.36 C +ATOM 551 O MET D 72 11.204 28.973 91.505 1.00 40.01 O +ATOM 552 CB MET D 72 8.853 27.044 90.537 1.00 42.46 C +ATOM 553 CG MET D 72 10.144 26.238 90.516 1.00 46.71 C +ATOM 554 SD MET D 72 10.336 25.271 92.021 1.00 53.04 S +ATOM 555 CE MET D 72 9.218 23.890 91.629 1.00 48.66 C +ATOM 556 N LYS D 73 9.852 29.997 90.046 1.00 39.10 N +ATOM 557 CA LYS D 73 10.898 30.864 89.546 1.00 39.00 C +ATOM 558 C LYS D 73 11.270 31.898 90.615 1.00 39.45 C +ATOM 559 O LYS D 73 12.411 32.343 90.681 1.00 36.88 O +ATOM 560 CB LYS D 73 10.429 31.567 88.273 1.00 39.80 C +ATOM 561 CG LYS D 73 11.391 32.639 87.746 1.00 38.83 C +ATOM 562 CD LYS D 73 12.588 32.007 87.082 1.00 35.74 C +ATOM 563 CE LYS D 73 13.523 33.070 86.557 1.00 36.61 C +ATOM 564 NZ LYS D 73 14.756 32.490 85.946 1.00 35.82 N +ATOM 565 N GLU D 74 10.306 32.252 91.459 1.00 43.52 N +ATOM 566 CA GLU D 74 10.520 33.241 92.528 1.00 48.24 C +ATOM 567 C GLU D 74 11.349 32.660 93.690 1.00 47.82 C +ATOM 568 O GLU D 74 12.315 33.277 94.162 1.00 46.30 O +ATOM 569 CB GLU D 74 9.171 33.742 93.046 1.00 50.61 C +ATOM 570 CG GLU D 74 9.267 34.944 93.972 1.00 57.01 C +ATOM 571 CD GLU D 74 7.899 35.449 94.435 1.00 61.94 C +ATOM 572 OE1 GLU D 74 7.855 36.474 95.159 1.00 65.40 O +ATOM 573 OE2 GLU D 74 6.872 34.825 94.076 1.00 62.96 O +ATOM 574 N LYS D 75 10.954 31.479 94.155 1.00 46.78 N +ATOM 575 CA LYS D 75 11.679 30.803 95.222 1.00 46.54 C +ATOM 576 C LYS D 75 13.110 30.597 94.719 1.00 46.22 C +ATOM 577 O LYS D 75 14.079 30.858 95.420 1.00 47.36 O +ATOM 578 CB LYS D 75 11.021 29.460 95.526 1.00 46.87 C +ATOM 579 CG LYS D 75 9.618 29.594 96.093 1.00 52.58 C +ATOM 580 CD LYS D 75 8.898 28.251 96.170 1.00 56.64 C +ATOM 581 CE LYS D 75 9.623 27.257 97.081 1.00 59.46 C +ATOM 582 NZ LYS D 75 8.861 25.984 97.244 1.00 60.74 N +ATOM 583 N TYR D 76 13.226 30.166 93.472 1.00 45.35 N +ATOM 584 CA TYR D 76 14.512 29.931 92.863 1.00 43.14 C +ATOM 585 C TYR D 76 15.430 31.144 92.798 1.00 43.71 C +ATOM 586 O TYR D 76 16.618 31.013 93.068 1.00 43.12 O +ATOM 587 CB TYR D 76 14.316 29.373 91.470 1.00 42.63 C +ATOM 588 CG TYR D 76 15.608 29.005 90.807 1.00 44.37 C +ATOM 589 CD1 TYR D 76 16.346 29.944 90.096 1.00 44.36 C +ATOM 590 CD2 TYR D 76 16.114 27.713 90.918 1.00 46.11 C +ATOM 591 CE1 TYR D 76 17.563 29.603 89.509 1.00 47.69 C +ATOM 592 CE2 TYR D 76 17.319 27.363 90.342 1.00 47.69 C +ATOM 593 CZ TYR D 76 18.040 28.308 89.640 1.00 47.87 C +ATOM 594 OH TYR D 76 19.237 27.944 89.073 1.00 53.87 O +ATOM 595 N GLU D 77 14.907 32.317 92.430 1.00 45.01 N +ATOM 596 CA GLU D 77 15.747 33.521 92.343 1.00 44.51 C +ATOM 597 C GLU D 77 16.084 34.091 93.714 1.00 42.80 C +ATOM 598 O GLU D 77 17.104 34.753 93.894 1.00 43.60 O +ATOM 599 CB GLU D 77 15.071 34.611 91.507 1.00 48.06 C +ATOM 600 CG GLU D 77 15.062 34.358 89.992 1.00 53.86 C +ATOM 601 CD GLU D 77 16.458 34.333 89.369 1.00 56.63 C +ATOM 602 OE1 GLU D 77 17.317 35.154 89.766 1.00 58.78 O +ATOM 603 OE2 GLU D 77 16.691 33.503 88.463 1.00 58.05 O +ATOM 604 N ALA D 78 15.214 33.864 94.681 1.00 41.07 N +ATOM 605 CA ALA D 78 15.486 34.341 96.024 1.00 42.44 C +ATOM 606 C ALA D 78 16.773 33.652 96.540 1.00 45.00 C +ATOM 607 O ALA D 78 17.633 34.297 97.157 1.00 43.78 O +ATOM 608 CB ALA D 78 14.290 34.030 96.948 1.00 38.75 C +ATOM 609 N ILE D 79 16.914 32.356 96.256 1.00 45.01 N +ATOM 610 CA ILE D 79 18.074 31.610 96.709 1.00 49.32 C +ATOM 611 C ILE D 79 19.356 31.910 95.926 1.00 52.72 C +ATOM 612 O ILE D 79 20.438 31.966 96.516 1.00 53.29 O +ATOM 613 CB ILE D 79 17.792 30.088 96.700 1.00 49.64 C +ATOM 614 CG1 ILE D 79 16.813 29.752 97.825 1.00 51.31 C +ATOM 615 CG2 ILE D 79 19.087 29.299 96.897 1.00 50.62 C +ATOM 616 CD1 ILE D 79 16.630 28.271 98.059 1.00 53.80 C +ATOM 617 N VAL D 80 19.249 32.101 94.611 1.00 54.72 N +ATOM 618 CA VAL D 80 20.429 32.415 93.814 1.00 56.55 C +ATOM 619 C VAL D 80 20.977 33.760 94.300 1.00 57.24 C +ATOM 620 O VAL D 80 22.172 34.037 94.186 1.00 56.90 O +ATOM 621 CB VAL D 80 20.111 32.502 92.296 1.00 56.34 C +ATOM 622 CG1 VAL D 80 19.491 31.202 91.825 1.00 57.20 C +ATOM 623 CG2 VAL D 80 19.196 33.678 92.013 1.00 56.86 C +ATOM 624 N GLU D 81 20.087 34.583 94.840 1.00 57.18 N +ATOM 625 CA GLU D 81 20.460 35.879 95.384 1.00 60.03 C +ATOM 626 C GLU D 81 21.197 35.617 96.703 1.00 60.99 C +ATOM 627 O GLU D 81 22.261 36.187 96.966 1.00 61.15 O +ATOM 628 CB GLU D 81 19.202 36.708 95.646 1.00 62.20 C +ATOM 629 CG GLU D 81 19.403 37.913 96.554 1.00 68.45 C +ATOM 630 CD GLU D 81 19.994 39.113 95.836 1.00 71.88 C +ATOM 631 OE1 GLU D 81 21.111 38.995 95.278 1.00 73.58 O +ATOM 632 OE2 GLU D 81 19.333 40.177 95.832 1.00 74.00 O +ATOM 633 N GLU D 82 20.623 34.739 97.524 1.00 59.45 N +ATOM 634 CA GLU D 82 21.212 34.386 98.810 1.00 57.40 C +ATOM 635 C GLU D 82 22.603 33.785 98.636 1.00 56.25 C +ATOM 636 O GLU D 82 23.546 34.163 99.337 1.00 55.97 O +ATOM 637 CB GLU D 82 20.299 33.411 99.538 1.00 54.97 C +ATOM 638 CG GLU D 82 19.001 34.056 99.961 1.00 53.53 C +ATOM 639 CD GLU D 82 17.939 33.044 100.330 1.00 53.87 C +ATOM 640 OE1 GLU D 82 16.830 33.461 100.719 1.00 55.21 O +ATOM 641 OE2 GLU D 82 18.208 31.832 100.222 1.00 54.34 O +ATOM 642 N ASN D 83 22.729 32.853 97.702 1.00 55.55 N +ATOM 643 CA ASN D 83 24.012 32.236 97.430 1.00 57.03 C +ATOM 644 C ASN D 83 25.013 33.279 96.960 1.00 59.59 C +ATOM 645 O ASN D 83 26.210 33.149 97.182 1.00 60.89 O +ATOM 646 CB ASN D 83 23.865 31.162 96.367 1.00 55.45 C +ATOM 647 CG ASN D 83 23.179 29.938 96.892 1.00 54.27 C +ATOM 648 OD1 ASN D 83 23.029 28.944 96.184 1.00 54.15 O +ATOM 649 ND2 ASN D 83 22.762 29.995 98.152 1.00 54.14 N +ATOM 650 N LYS D 84 24.516 34.314 96.299 1.00 61.81 N +ATOM 651 CA LYS D 84 25.380 35.377 95.821 1.00 63.22 C +ATOM 652 C LYS D 84 26.014 36.045 97.044 1.00 62.82 C +ATOM 653 O LYS D 84 27.233 36.169 97.130 1.00 62.99 O +ATOM 654 CB LYS D 84 24.555 36.389 95.020 1.00 65.27 C +ATOM 655 CG LYS D 84 25.354 37.480 94.330 1.00 68.07 C +ATOM 656 CD LYS D 84 24.439 38.343 93.467 1.00 70.96 C +ATOM 657 CE LYS D 84 23.757 37.502 92.387 1.00 73.95 C +ATOM 658 NZ LYS D 84 22.756 38.273 91.585 1.00 75.57 N +ATOM 659 N LYS D 85 25.184 36.458 97.996 1.00 62.20 N +ATOM 660 CA LYS D 85 25.684 37.108 99.198 1.00 62.40 C +ATOM 661 C LYS D 85 26.604 36.199 100.010 1.00 63.02 C +ATOM 662 O LYS D 85 27.641 36.633 100.496 1.00 63.48 O +ATOM 663 CB LYS D 85 24.520 37.586 100.055 1.00 61.16 C +ATOM 664 CG LYS D 85 23.757 38.734 99.427 1.00 60.61 C +ATOM 665 CD LYS D 85 22.691 39.260 100.369 1.00 62.06 C +ATOM 666 CE LYS D 85 21.878 40.377 99.722 1.00 63.51 C +ATOM 667 NZ LYS D 85 22.735 41.520 99.289 1.00 66.40 N +ATOM 668 N LEU D 86 26.228 34.936 100.152 1.00 63.95 N +ATOM 669 CA LEU D 86 27.047 33.988 100.897 1.00 64.10 C +ATOM 670 C LEU D 86 28.436 33.865 100.271 1.00 65.33 C +ATOM 671 O LEU D 86 29.437 33.743 100.977 1.00 65.74 O +ATOM 672 CB LEU D 86 26.366 32.614 100.928 1.00 62.27 C +ATOM 673 CG LEU D 86 25.554 32.192 102.158 1.00 62.34 C +ATOM 674 CD1 LEU D 86 25.027 33.399 102.916 1.00 60.82 C +ATOM 675 CD2 LEU D 86 24.416 31.284 101.703 1.00 61.28 C +ATOM 676 N LYS D 87 28.501 33.892 98.946 1.00 66.12 N +ATOM 677 CA LYS D 87 29.784 33.783 98.273 1.00 68.70 C +ATOM 678 C LYS D 87 30.545 35.093 98.381 1.00 69.40 C +ATOM 679 O LYS D 87 31.743 35.152 98.108 1.00 69.49 O +ATOM 680 CB LYS D 87 29.589 33.375 96.811 1.00 69.61 C +ATOM 681 CG LYS D 87 29.228 31.900 96.655 1.00 71.11 C +ATOM 682 CD LYS D 87 28.882 31.522 95.223 1.00 73.52 C +ATOM 683 CE LYS D 87 28.426 30.067 95.151 1.00 76.05 C +ATOM 684 NZ LYS D 87 27.749 29.723 93.865 1.00 77.58 N +ATOM 685 N ALA D 88 29.838 36.140 98.793 1.00 70.37 N +ATOM 686 CA ALA D 88 30.443 37.448 98.973 1.00 71.66 C +ATOM 687 C ALA D 88 31.259 37.392 100.254 1.00 73.59 C +ATOM 688 O ALA D 88 32.439 37.735 100.264 1.00 74.12 O +ATOM 689 CB ALA D 88 29.370 38.512 99.086 1.00 71.21 C +ATOM 690 N LYS D 89 30.621 36.953 101.336 1.00 75.50 N +ATOM 691 CA LYS D 89 31.285 36.830 102.629 1.00 76.85 C +ATOM 692 C LYS D 89 32.352 35.746 102.556 1.00 77.42 C +ATOM 693 O LYS D 89 33.478 35.937 103.002 1.00 77.63 O +ATOM 694 CB LYS D 89 30.271 36.462 103.718 1.00 78.02 C +ATOM 695 CG LYS D 89 29.319 37.581 104.125 1.00 78.68 C +ATOM 696 CD LYS D 89 29.983 38.527 105.104 1.00 79.31 C +ATOM 697 CE LYS D 89 29.028 39.623 105.556 1.00 79.89 C +ATOM 698 NZ LYS D 89 29.653 40.519 106.577 1.00 79.32 N +ATOM 699 N LEU D 90 31.986 34.605 101.986 1.00 79.03 N +ATOM 700 CA LEU D 90 32.902 33.480 101.863 1.00 81.36 C +ATOM 701 C LEU D 90 34.181 33.920 101.153 1.00 84.02 C +ATOM 702 O LEU D 90 35.220 33.264 101.242 1.00 83.63 O +ATOM 703 CB LEU D 90 32.227 32.343 101.088 1.00 79.96 C +ATOM 704 CG LEU D 90 32.570 30.905 101.491 1.00 78.95 C +ATOM 705 CD1 LEU D 90 34.076 30.700 101.425 1.00 79.21 C +ATOM 706 CD2 LEU D 90 32.049 30.621 102.893 1.00 76.95 C +ATOM 707 N ALA D 91 34.099 35.040 100.447 1.00 87.31 N +ATOM 708 CA ALA D 91 35.252 35.571 99.735 1.00 90.92 C +ATOM 709 C ALA D 91 36.055 36.455 100.686 1.00 92.99 C +ATOM 710 O ALA D 91 37.285 36.417 100.696 1.00 93.11 O +ATOM 711 CB ALA D 91 34.794 36.375 98.520 1.00 91.13 C +ATOM 712 N GLN D 92 35.350 37.249 101.485 1.00 95.12 N +ATOM 713 CA GLN D 92 36.002 38.124 102.448 1.00 98.02 C +ATOM 714 C GLN D 92 36.892 37.274 103.354 1.00 99.64 C +ATOM 715 O GLN D 92 38.118 37.366 103.299 1.00 99.75 O +ATOM 716 CB GLN D 92 34.955 38.866 103.281 1.00 98.20 C +ATOM 717 CG GLN D 92 34.032 39.758 102.462 1.00 99.78 C +ATOM 718 CD GLN D 92 33.031 40.515 103.320 1.00101.08 C +ATOM 719 OE1 GLN D 92 32.241 39.913 104.046 1.00102.33 O +ATOM 720 NE2 GLN D 92 33.060 41.842 103.237 1.00100.68 N +ATOM 721 N TYR D 93 36.269 36.440 104.180 1.00101.66 N +ATOM 722 CA TYR D 93 37.008 35.564 105.084 1.00103.20 C +ATOM 723 C TYR D 93 37.767 34.514 104.274 1.00104.18 C +ATOM 724 O TYR D 93 38.536 33.730 104.826 1.00104.24 O +ATOM 725 CB TYR D 93 36.045 34.864 106.057 1.00103.53 C +ATOM 726 CG TYR D 93 35.239 35.806 106.931 1.00103.98 C +ATOM 727 CD1 TYR D 93 35.870 36.729 107.763 1.00104.16 C +ATOM 728 CD2 TYR D 93 33.844 35.772 106.929 1.00104.15 C +ATOM 729 CE1 TYR D 93 35.136 37.598 108.571 1.00104.53 C +ATOM 730 CE2 TYR D 93 33.099 36.637 107.734 1.00104.55 C +ATOM 731 CZ TYR D 93 33.753 37.548 108.552 1.00104.75 C +ATOM 732 OH TYR D 93 33.031 38.412 109.349 1.00104.39 O +ATOM 733 N GLU D 94 37.542 34.514 102.961 1.00105.60 N +ATOM 734 CA GLU D 94 38.179 33.570 102.043 1.00106.83 C +ATOM 735 C GLU D 94 37.838 32.123 102.381 1.00107.31 C +ATOM 736 O GLU D 94 37.111 31.487 101.585 1.00107.53 O +ATOM 737 CB GLU D 94 39.698 33.746 102.057 1.00107.54 C +ATOM 738 CG GLU D 94 40.440 32.750 101.175 1.00108.73 C +ATOM 739 CD GLU D 94 41.948 32.871 101.293 1.00109.64 C +ATOM 740 OE1 GLU D 94 42.664 32.084 100.636 1.00110.07 O +ATOM 741 OE2 GLU D 94 42.419 33.755 102.043 1.00109.90 O +ATOM 742 OXT GLU D 94 38.302 31.642 103.437 1.00107.51 O Added: SwiftApps/modFTdock/input/2z0b-2.pdb =================================================================== --- SwiftApps/modFTdock/input/2z0b-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/2z0b-2.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,820 @@ +ATOM 1 N SER B 6 9.555 61.129 -17.403 1.00 28.46 N +ATOM 2 CA SER B 6 10.737 61.875 -16.870 1.00 28.43 C +ATOM 3 C SER B 6 11.607 61.023 -15.943 1.00 28.37 C +ATOM 4 O SER B 6 12.770 61.358 -15.693 1.00 28.34 O +ATOM 5 CB SER B 6 10.286 63.152 -16.147 1.00 28.51 C +ATOM 6 OG SER B 6 9.386 62.863 -15.088 1.00 28.52 O +ATOM 7 N GLY B 7 11.042 59.921 -15.450 1.00 28.28 N +ATOM 8 CA GLY B 7 11.735 59.021 -14.526 1.00 28.12 C +ATOM 9 C GLY B 7 12.801 58.144 -15.165 1.00 27.97 C +ATOM 10 O GLY B 7 13.255 58.425 -16.277 1.00 28.10 O +ATOM 11 N PRO B 8 13.216 57.072 -14.460 1.00 27.79 N +ATOM 12 CA PRO B 8 14.241 56.167 -14.978 1.00 27.61 C +ATOM 13 C PRO B 8 13.687 55.015 -15.823 1.00 27.40 C +ATOM 14 O PRO B 8 12.680 54.397 -15.463 1.00 27.37 O +ATOM 15 CB PRO B 8 14.906 55.628 -13.707 1.00 27.66 C +ATOM 16 CG PRO B 8 13.876 55.795 -12.610 1.00 27.70 C +ATOM 17 CD PRO B 8 12.753 56.663 -13.121 1.00 27.80 C +ATOM 18 N SER B 9 14.353 54.744 -16.941 1.00 27.17 N +ATOM 19 CA SER B 9 13.979 53.651 -17.830 1.00 26.87 C +ATOM 20 C SER B 9 15.083 52.601 -17.862 1.00 26.66 C +ATOM 21 O SER B 9 16.193 52.864 -18.329 1.00 26.61 O +ATOM 22 CB SER B 9 13.696 54.172 -19.240 1.00 26.95 C +ATOM 23 OG SER B 9 13.333 53.112 -20.108 1.00 26.96 O +ATOM 24 N GLN B 10 14.764 51.415 -17.353 1.00 26.37 N +ATOM 25 CA GLN B 10 15.705 50.304 -17.297 1.00 26.06 C +ATOM 26 C GLN B 10 15.674 49.559 -18.630 1.00 25.61 C +ATOM 27 O GLN B 10 14.740 48.801 -18.908 1.00 25.58 O +ATOM 28 CB GLN B 10 15.339 49.382 -16.131 1.00 26.11 C +ATOM 29 CG GLN B 10 16.380 48.333 -15.793 1.00 26.29 C +ATOM 30 CD GLN B 10 15.986 47.477 -14.600 1.00 26.53 C +ATOM 31 OE1 GLN B 10 15.161 47.874 -13.773 1.00 27.03 O +ATOM 32 NE2 GLN B 10 16.583 46.294 -14.503 1.00 27.27 N +ATOM 33 N VAL B 11 16.698 49.785 -19.451 1.00 25.12 N +ATOM 34 CA VAL B 11 16.744 49.228 -20.805 1.00 24.68 C +ATOM 35 C VAL B 11 17.796 48.128 -20.978 1.00 24.44 C +ATOM 36 O VAL B 11 18.980 48.330 -20.702 1.00 24.33 O +ATOM 37 CB VAL B 11 16.957 50.339 -21.873 1.00 24.62 C +ATOM 38 CG1 VAL B 11 16.819 49.769 -23.278 1.00 24.51 C +ATOM 39 CG2 VAL B 11 15.960 51.477 -21.675 1.00 24.57 C +ATOM 40 N ALA B 12 17.344 46.966 -21.444 1.00 24.14 N +ATOM 41 CA ALA B 12 18.223 45.836 -21.706 1.00 23.84 C +ATOM 42 C ALA B 12 18.531 45.738 -23.198 1.00 23.72 C +ATOM 43 O ALA B 12 17.632 45.518 -24.013 1.00 23.51 O +ATOM 44 CB ALA B 12 17.597 44.538 -21.195 1.00 23.94 C +ATOM 45 N PHE B 13 19.803 45.922 -23.549 1.00 23.48 N +ATOM 46 CA PHE B 13 20.251 45.823 -24.938 1.00 23.42 C +ATOM 47 C PHE B 13 20.846 44.443 -25.202 1.00 23.55 C +ATOM 48 O PHE B 13 21.662 43.954 -24.415 1.00 23.51 O +ATOM 49 CB PHE B 13 21.279 46.911 -25.257 1.00 23.26 C +ATOM 50 CG PHE B 13 20.723 48.308 -25.220 1.00 23.09 C +ATOM 51 CD1 PHE B 13 20.162 48.877 -26.361 1.00 23.07 C +ATOM 52 CD2 PHE B 13 20.770 49.061 -24.048 1.00 22.85 C +ATOM 53 CE1 PHE B 13 19.650 50.172 -26.334 1.00 22.93 C +ATOM 54 CE2 PHE B 13 20.266 50.356 -24.012 1.00 22.58 C +ATOM 55 CZ PHE B 13 19.705 50.913 -25.157 1.00 22.80 C +ATOM 56 N GLU B 14 20.436 43.825 -26.310 1.00 23.58 N +ATOM 57 CA GLU B 14 20.884 42.478 -26.673 1.00 23.70 C +ATOM 58 C GLU B 14 21.380 42.384 -28.112 1.00 23.69 C +ATOM 59 O GLU B 14 20.832 43.030 -29.009 1.00 23.61 O +ATOM 60 CB GLU B 14 19.753 41.465 -26.460 1.00 23.66 C +ATOM 61 CG GLU B 14 19.312 41.320 -25.012 1.00 23.85 C +ATOM 62 CD GLU B 14 18.041 40.507 -24.842 1.00 24.09 C +ATOM 63 OE1 GLU B 14 17.626 39.803 -25.793 1.00 24.58 O +ATOM 64 OE2 GLU B 14 17.455 40.573 -23.739 1.00 24.59 O +ATOM 65 N ILE B 15 22.416 41.571 -28.320 1.00 23.73 N +ATOM 66 CA ILE B 15 22.966 41.311 -29.654 1.00 23.81 C +ATOM 67 C ILE B 15 23.750 39.992 -29.676 1.00 23.91 C +ATOM 68 O ILE B 15 24.277 39.558 -28.647 1.00 23.76 O +ATOM 69 CB ILE B 15 23.845 42.495 -30.178 1.00 23.71 C +ATOM 70 CG1 ILE B 15 23.888 42.493 -31.712 1.00 23.79 C +ATOM 71 CG2 ILE B 15 25.244 42.476 -29.546 1.00 23.58 C +ATOM 72 CD1 ILE B 15 24.391 43.770 -32.334 1.00 23.88 C +ATOM 73 N ARG B 16 23.805 39.359 -30.847 1.00 24.16 N +ATOM 74 CA ARG B 16 24.555 38.117 -31.037 1.00 24.43 C +ATOM 75 C ARG B 16 25.672 38.318 -32.057 1.00 24.37 C +ATOM 76 O ARG B 16 25.636 39.264 -32.846 1.00 24.44 O +ATOM 77 CB ARG B 16 23.649 36.972 -31.514 1.00 24.68 C +ATOM 78 CG ARG B 16 22.507 36.561 -30.589 1.00 25.49 C +ATOM 79 CD ARG B 16 21.224 37.298 -30.935 1.00 27.14 C +ATOM 80 NE ARG B 16 20.039 36.617 -30.418 1.00 27.73 N +ATOM 81 CZ ARG B 16 18.790 36.958 -30.720 1.00 28.39 C +ATOM 82 NH1 ARG B 16 18.555 37.973 -31.545 1.00 29.06 N +ATOM 83 NH2 ARG B 16 17.772 36.282 -30.204 1.00 28.25 N +ATOM 84 N GLY B 17 26.652 37.417 -32.045 1.00 24.28 N +ATOM 85 CA GLY B 17 27.770 37.475 -32.984 1.00 24.32 C +ATOM 86 C GLY B 17 28.966 36.655 -32.540 1.00 24.35 C +ATOM 87 O GLY B 17 29.021 36.191 -31.401 1.00 24.28 O +ATOM 88 N THR B 18 29.924 36.483 -33.448 1.00 24.47 N +ATOM 89 CA THR B 18 31.130 35.691 -33.187 1.00 24.62 C +ATOM 90 C THR B 18 32.252 36.546 -32.595 1.00 24.17 C +ATOM 91 O THR B 18 32.366 37.734 -32.910 1.00 24.41 O +ATOM 92 CB THR B 18 31.600 34.909 -34.457 1.00 24.93 C +ATOM 93 OG1 THR B 18 32.816 34.204 -34.174 1.00 26.01 O +ATOM 94 CG2 THR B 18 31.812 35.845 -35.655 1.00 25.44 C +ATOM 95 N LEU B 19 33.067 35.939 -31.732 1.00 23.65 N +ATOM 96 CA LEU B 19 34.132 36.660 -31.021 1.00 23.04 C +ATOM 97 C LEU B 19 35.420 35.855 -30.827 1.00 22.66 C +ATOM 98 O LEU B 19 35.399 34.624 -30.788 1.00 22.53 O +ATOM 99 CB LEU B 19 33.622 37.131 -29.652 1.00 22.93 C +ATOM 100 CG LEU B 19 32.524 38.197 -29.571 1.00 23.13 C +ATOM 101 CD1 LEU B 19 31.918 38.220 -28.184 1.00 23.19 C +ATOM 102 CD2 LEU B 19 33.046 39.576 -29.935 1.00 23.06 C +ATOM 103 N LEU B 20 36.536 36.569 -30.699 1.00 22.16 N +ATOM 104 CA LEU B 20 37.838 35.959 -30.429 1.00 21.84 C +ATOM 105 C LEU B 20 37.954 35.633 -28.932 1.00 21.57 C +ATOM 106 O LEU B 20 37.123 36.091 -28.145 1.00 21.59 O +ATOM 107 CB LEU B 20 38.971 36.900 -30.873 1.00 21.77 C +ATOM 108 CG LEU B 20 39.201 37.117 -32.375 1.00 21.70 C +ATOM 109 CD1 LEU B 20 40.075 38.339 -32.625 1.00 20.87 C +ATOM 110 CD2 LEU B 20 39.799 35.874 -33.048 1.00 21.57 C +ATOM 111 N PRO B 21 38.953 34.812 -28.535 1.00 21.29 N +ATOM 112 CA PRO B 21 39.149 34.518 -27.108 1.00 20.92 C +ATOM 113 C PRO B 21 39.221 35.765 -26.220 1.00 20.64 C +ATOM 114 O PRO B 21 40.042 36.655 -26.459 1.00 20.54 O +ATOM 115 CB PRO B 21 40.483 33.765 -27.091 1.00 20.97 C +ATOM 116 CG PRO B 21 40.524 33.078 -28.413 1.00 21.02 C +ATOM 117 CD PRO B 21 39.915 34.066 -29.375 1.00 21.34 C +ATOM 118 N GLY B 22 38.344 35.823 -25.219 1.00 20.26 N +ATOM 119 CA GLY B 22 38.300 36.931 -24.266 1.00 19.64 C +ATOM 120 C GLY B 22 37.655 38.215 -24.762 1.00 19.44 C +ATOM 121 O GLY B 22 37.464 39.161 -23.988 1.00 19.36 O +ATOM 122 N GLU B 23 37.322 38.252 -26.051 1.00 19.10 N +ATOM 123 CA GLU B 23 36.687 39.414 -26.665 1.00 18.90 C +ATOM 124 C GLU B 23 35.213 39.498 -26.249 1.00 18.77 C +ATOM 125 O GLU B 23 34.566 38.479 -26.013 1.00 18.88 O +ATOM 126 CB GLU B 23 36.824 39.349 -28.193 1.00 18.78 C +ATOM 127 CG GLU B 23 36.612 40.685 -28.919 1.00 18.27 C +ATOM 128 CD GLU B 23 36.760 40.581 -30.433 1.00 19.02 C +ATOM 129 OE1 GLU B 23 36.660 39.464 -30.993 1.00 18.05 O +ATOM 130 OE2 GLU B 23 36.974 41.630 -31.070 1.00 19.29 O +ATOM 131 N VAL B 24 34.701 40.718 -26.132 1.00 18.81 N +ATOM 132 CA VAL B 24 33.311 40.940 -25.735 1.00 18.71 C +ATOM 133 C VAL B 24 32.630 41.960 -26.649 1.00 18.92 C +ATOM 134 O VAL B 24 33.299 42.647 -27.431 1.00 18.59 O +ATOM 135 CB VAL B 24 33.198 41.430 -24.257 1.00 18.79 C +ATOM 136 CG1 VAL B 24 33.907 40.473 -23.300 1.00 18.59 C +ATOM 137 CG2 VAL B 24 33.733 42.858 -24.093 1.00 18.23 C +ATOM 138 N PHE B 25 31.303 42.045 -26.546 1.00 18.86 N +ATOM 139 CA PHE B 25 30.540 43.089 -27.214 1.00 19.05 C +ATOM 140 C PHE B 25 30.302 44.223 -26.229 1.00 19.35 C +ATOM 141 O PHE B 25 30.134 43.990 -25.026 1.00 19.24 O +ATOM 142 CB PHE B 25 29.197 42.575 -27.742 1.00 19.17 C +ATOM 143 CG PHE B 25 29.313 41.666 -28.929 1.00 19.02 C +ATOM 144 CD1 PHE B 25 29.842 42.132 -30.130 1.00 19.17 C +ATOM 145 CD2 PHE B 25 28.867 40.350 -28.859 1.00 19.52 C +ATOM 146 CE1 PHE B 25 29.942 41.296 -31.237 1.00 18.80 C +ATOM 147 CE2 PHE B 25 28.960 39.504 -29.964 1.00 19.18 C +ATOM 148 CZ PHE B 25 29.500 39.980 -31.156 1.00 19.27 C +ATOM 149 N ALA B 26 30.298 45.451 -26.737 1.00 19.29 N +ATOM 150 CA ALA B 26 30.075 46.614 -25.891 1.00 19.52 C +ATOM 151 C ALA B 26 29.119 47.576 -26.560 1.00 19.65 C +ATOM 152 O ALA B 26 28.988 47.585 -27.787 1.00 19.90 O +ATOM 153 CB ALA B 26 31.391 47.307 -25.573 1.00 19.49 C +ATOM 154 N ILE B 27 28.441 48.374 -25.742 1.00 19.83 N +ATOM 155 CA ILE B 27 27.526 49.391 -26.246 1.00 19.80 C +ATOM 156 C ILE B 27 28.031 50.776 -25.865 1.00 19.72 C +ATOM 157 O ILE B 27 28.382 51.031 -24.713 1.00 19.91 O +ATOM 158 CB ILE B 27 26.048 49.144 -25.793 1.00 20.01 C +ATOM 159 CG1 ILE B 27 25.096 50.151 -26.463 1.00 19.90 C +ATOM 160 CG2 ILE B 27 25.929 49.129 -24.260 1.00 19.82 C +ATOM 161 CD1 ILE B 27 23.635 49.947 -26.126 1.00 19.49 C +ATOM 162 N CYS B 28 28.093 51.657 -26.854 1.00 19.52 N +ATOM 163 CA CYS B 28 28.571 53.007 -26.642 1.00 19.44 C +ATOM 164 C CYS B 28 27.604 53.969 -27.333 1.00 19.57 C +ATOM 165 O CYS B 28 27.106 53.672 -28.423 1.00 19.35 O +ATOM 166 CB CYS B 28 29.987 53.141 -27.192 1.00 19.53 C +ATOM 167 SG CYS B 28 30.869 54.599 -26.640 1.00 19.27 S +ATOM 168 N GLY B 29 27.321 55.106 -26.699 1.00 19.52 N +ATOM 169 CA GLY B 29 26.323 56.026 -27.241 1.00 19.81 C +ATOM 170 C GLY B 29 26.310 57.448 -26.721 1.00 19.99 C +ATOM 171 O GLY B 29 27.216 57.869 -26.003 1.00 19.99 O +ATOM 172 N SER B 30 25.234 58.159 -27.057 1.00 20.13 N +ATOM 173 CA SER B 30 25.127 59.610 -26.877 1.00 20.43 C +ATOM 174 C SER B 30 24.683 60.167 -25.516 1.00 20.57 C +ATOM 175 O SER B 30 24.120 61.260 -25.464 1.00 21.01 O +ATOM 176 CB SER B 30 24.209 60.184 -27.961 1.00 20.22 C +ATOM 177 OG SER B 30 22.872 59.766 -27.747 1.00 20.43 O +ATOM 178 N CYS B 31 24.924 59.445 -24.427 1.00 20.77 N +ATOM 179 CA CYS B 31 24.593 59.967 -23.093 1.00 20.98 C +ATOM 180 C CYS B 31 25.588 59.497 -22.029 1.00 20.87 C +ATOM 181 O CYS B 31 26.490 58.706 -22.326 1.00 20.67 O +ATOM 182 CB CYS B 31 23.148 59.627 -22.702 1.00 21.06 C +ATOM 183 SG CYS B 31 22.788 57.874 -22.554 1.00 22.23 S +ATOM 184 N ASP B 32 25.429 59.998 -20.802 1.00 20.79 N +ATOM 185 CA ASP B 32 26.295 59.619 -19.673 1.00 20.72 C +ATOM 186 C ASP B 32 26.334 58.115 -19.437 1.00 20.29 C +ATOM 187 O ASP B 32 27.398 57.550 -19.165 1.00 20.44 O +ATOM 188 CB ASP B 32 25.849 60.316 -18.382 1.00 20.98 C +ATOM 189 CG ASP B 32 26.198 61.794 -18.355 1.00 21.95 C +ATOM 190 OD1 ASP B 32 27.001 62.243 -19.202 1.00 22.97 O +ATOM 191 OD2 ASP B 32 25.677 62.507 -17.468 1.00 22.58 O +ATOM 192 N ALA B 33 25.167 57.480 -19.535 1.00 19.89 N +ATOM 193 CA ALA B 33 25.022 56.041 -19.327 1.00 19.46 C +ATOM 194 C ALA B 33 25.763 55.212 -20.376 1.00 19.27 C +ATOM 195 O ALA B 33 26.242 54.110 -20.085 1.00 19.27 O +ATOM 196 CB ALA B 33 23.555 55.663 -19.300 1.00 19.36 C +ATOM 197 N LEU B 34 25.856 55.740 -21.591 1.00 18.81 N +ATOM 198 CA LEU B 34 26.507 55.014 -22.680 1.00 18.63 C +ATOM 199 C LEU B 34 27.892 55.559 -23.023 1.00 18.34 C +ATOM 200 O LEU B 34 28.490 55.193 -24.043 1.00 18.40 O +ATOM 201 CB LEU B 34 25.588 54.936 -23.903 1.00 18.56 C +ATOM 202 CG LEU B 34 24.283 54.168 -23.691 1.00 18.75 C +ATOM 203 CD1 LEU B 34 23.392 54.275 -24.923 1.00 18.74 C +ATOM 204 CD2 LEU B 34 24.540 52.701 -23.339 1.00 19.14 C +ATOM 205 N GLY B 35 28.385 56.439 -22.154 1.00 18.23 N +ATOM 206 CA GLY B 35 29.742 56.957 -22.234 1.00 17.90 C +ATOM 207 C GLY B 35 30.019 58.139 -23.134 1.00 17.75 C +ATOM 208 O GLY B 35 31.180 58.461 -23.358 1.00 17.33 O +ATOM 209 N ASN B 36 28.966 58.784 -23.647 1.00 17.80 N +ATOM 210 CA ASN B 36 29.100 59.947 -24.544 1.00 17.67 C +ATOM 211 C ASN B 36 30.069 59.694 -25.705 1.00 17.52 C +ATOM 212 O ASN B 36 30.961 60.506 -25.974 1.00 17.30 O +ATOM 213 CB ASN B 36 29.505 61.205 -23.759 1.00 17.71 C +ATOM 214 CG ASN B 36 28.430 61.668 -22.795 1.00 18.41 C +ATOM 215 OD1 ASN B 36 28.641 61.703 -21.581 1.00 19.80 O +ATOM 216 ND2 ASN B 36 27.273 62.031 -23.330 1.00 19.03 N +ATOM 217 N TRP B 37 29.890 58.548 -26.366 1.00 17.53 N +ATOM 218 CA TRP B 37 30.714 58.111 -27.505 1.00 17.44 C +ATOM 219 C TRP B 37 32.192 57.846 -27.196 1.00 17.34 C +ATOM 220 O TRP B 37 32.982 57.611 -28.108 1.00 17.09 O +ATOM 221 CB TRP B 37 30.571 59.054 -28.707 1.00 17.83 C +ATOM 222 CG TRP B 37 29.209 59.048 -29.320 1.00 18.16 C +ATOM 223 CD1 TRP B 37 28.310 60.075 -29.329 1.00 18.41 C +ATOM 224 CD2 TRP B 37 28.583 57.956 -30.008 1.00 19.25 C +ATOM 225 NE1 TRP B 37 27.165 59.696 -29.993 1.00 19.07 N +ATOM 226 CE2 TRP B 37 27.305 58.401 -30.420 1.00 18.99 C +ATOM 227 CE3 TRP B 37 28.981 56.646 -30.323 1.00 19.33 C +ATOM 228 CZ2 TRP B 37 26.415 57.581 -31.130 1.00 19.08 C +ATOM 229 CZ3 TRP B 37 28.095 55.830 -31.032 1.00 18.87 C +ATOM 230 CH2 TRP B 37 26.826 56.303 -31.424 1.00 18.55 C +ATOM 231 N ASN B 38 32.558 57.893 -25.915 1.00 17.35 N +ATOM 232 CA ASN B 38 33.916 57.590 -25.476 1.00 17.14 C +ATOM 233 C ASN B 38 33.986 56.078 -25.269 1.00 17.48 C +ATOM 234 O ASN B 38 33.314 55.552 -24.376 1.00 17.45 O +ATOM 235 CB ASN B 38 34.233 58.350 -24.173 1.00 17.43 C +ATOM 236 CG ASN B 38 35.625 58.045 -23.616 1.00 16.49 C +ATOM 237 OD1 ASN B 38 36.374 57.241 -24.165 1.00 15.97 O +ATOM 238 ND2 ASN B 38 35.973 58.708 -22.521 1.00 16.97 N +ATOM 239 N PRO B 39 34.772 55.368 -26.109 1.00 17.27 N +ATOM 240 CA PRO B 39 34.843 53.902 -26.013 1.00 17.38 C +ATOM 241 C PRO B 39 35.361 53.420 -24.652 1.00 17.57 C +ATOM 242 O PRO B 39 34.998 52.326 -24.207 1.00 17.00 O +ATOM 243 CB PRO B 39 35.826 53.506 -27.134 1.00 17.44 C +ATOM 244 CG PRO B 39 35.967 54.697 -27.994 1.00 17.28 C +ATOM 245 CD PRO B 39 35.633 55.901 -27.181 1.00 17.23 C +ATOM 246 N GLN B 40 36.189 54.243 -24.004 1.00 17.68 N +ATOM 247 CA GLN B 40 36.709 53.943 -22.665 1.00 17.89 C +ATOM 248 C GLN B 40 35.594 53.935 -21.620 1.00 18.03 C +ATOM 249 O GLN B 40 35.753 53.355 -20.550 1.00 18.56 O +ATOM 250 CB GLN B 40 37.812 54.936 -22.255 1.00 18.21 C +ATOM 251 CG GLN B 40 39.043 54.949 -23.181 1.00 17.78 C +ATOM 252 CD GLN B 40 39.669 53.575 -23.330 1.00 17.27 C +ATOM 253 OE1 GLN B 40 39.989 52.914 -22.343 1.00 16.63 O +ATOM 254 NE2 GLN B 40 39.815 53.122 -24.575 1.00 16.81 N +ATOM 255 N ASN B 41 34.472 54.583 -21.928 1.00 17.80 N +ATOM 256 CA ASN B 41 33.319 54.604 -21.022 1.00 17.81 C +ATOM 257 C ASN B 41 32.144 53.761 -21.532 1.00 17.88 C +ATOM 258 O ASN B 41 31.029 53.859 -21.019 1.00 17.42 O +ATOM 259 CB ASN B 41 32.864 56.046 -20.749 1.00 17.83 C +ATOM 260 CG ASN B 41 33.827 56.818 -19.867 1.00 17.75 C +ATOM 261 OD1 ASN B 41 33.745 58.045 -19.780 1.00 18.42 O +ATOM 262 ND2 ASN B 41 34.732 56.114 -19.200 1.00 16.33 N +ATOM 263 N ALA B 42 32.403 52.936 -22.547 1.00 17.96 N +ATOM 264 CA ALA B 42 31.385 52.047 -23.086 1.00 18.30 C +ATOM 265 C ALA B 42 31.019 50.998 -22.046 1.00 18.71 C +ATOM 266 O ALA B 42 31.788 50.733 -21.112 1.00 18.73 O +ATOM 267 CB ALA B 42 31.877 51.389 -24.359 1.00 18.34 C +ATOM 268 N VAL B 43 29.835 50.413 -22.197 1.00 19.07 N +ATOM 269 CA VAL B 43 29.363 49.402 -21.264 1.00 18.96 C +ATOM 270 C VAL B 43 29.517 48.028 -21.913 1.00 19.18 C +ATOM 271 O VAL B 43 28.980 47.780 -22.993 1.00 18.96 O +ATOM 272 CB VAL B 43 27.892 49.655 -20.846 1.00 19.03 C +ATOM 273 CG1 VAL B 43 27.405 48.587 -19.862 1.00 19.08 C +ATOM 274 CG2 VAL B 43 27.734 51.040 -20.244 1.00 18.64 C +ATOM 275 N ALA B 44 30.276 47.150 -21.259 1.00 19.41 N +ATOM 276 CA ALA B 44 30.466 45.783 -21.747 1.00 19.94 C +ATOM 277 C ALA B 44 29.207 44.960 -21.551 1.00 20.25 C +ATOM 278 O ALA B 44 28.597 44.982 -20.477 1.00 20.19 O +ATOM 279 CB ALA B 44 31.642 45.102 -21.032 1.00 19.92 C +ATOM 280 N LEU B 45 28.821 44.238 -22.598 1.00 20.73 N +ATOM 281 CA LEU B 45 27.707 43.321 -22.513 1.00 21.22 C +ATOM 282 C LEU B 45 28.192 42.064 -21.805 1.00 21.70 C +ATOM 283 O LEU B 45 29.388 41.753 -21.825 1.00 21.52 O +ATOM 284 CB LEU B 45 27.154 42.993 -23.906 1.00 21.26 C +ATOM 285 CG LEU B 45 26.166 43.962 -24.582 1.00 21.28 C +ATOM 286 CD1 LEU B 45 26.716 45.379 -24.755 1.00 21.37 C +ATOM 287 CD2 LEU B 45 25.727 43.409 -25.923 1.00 21.18 C +ATOM 288 N LEU B 46 27.261 41.363 -21.166 1.00 22.40 N +ATOM 289 CA LEU B 46 27.549 40.124 -20.451 1.00 23.11 C +ATOM 290 C LEU B 46 27.022 38.931 -21.243 1.00 23.41 C +ATOM 291 O LEU B 46 25.928 39.005 -21.807 1.00 23.47 O +ATOM 292 CB LEU B 46 26.904 40.135 -19.059 1.00 23.13 C +ATOM 293 CG LEU B 46 27.409 41.065 -17.946 1.00 23.47 C +ATOM 294 CD1 LEU B 46 27.118 42.538 -18.220 1.00 24.09 C +ATOM 295 CD2 LEU B 46 26.789 40.646 -16.619 1.00 23.36 C +ATOM 296 N PRO B 47 27.796 37.828 -21.292 1.00 23.89 N +ATOM 297 CA PRO B 47 27.322 36.623 -21.976 1.00 24.21 C +ATOM 298 C PRO B 47 26.165 35.977 -21.205 1.00 24.48 C +ATOM 299 O PRO B 47 26.296 35.690 -20.010 1.00 24.48 O +ATOM 300 CB PRO B 47 28.555 35.713 -21.981 1.00 24.25 C +ATOM 301 CG PRO B 47 29.362 36.166 -20.824 1.00 24.19 C +ATOM 302 CD PRO B 47 29.143 37.641 -20.718 1.00 23.88 C +ATOM 303 N GLU B 48 25.040 35.775 -21.889 1.00 24.72 N +ATOM 304 CA GLU B 48 23.844 35.211 -21.270 1.00 25.09 C +ATOM 305 C GLU B 48 23.622 33.756 -21.691 1.00 25.07 C +ATOM 306 O GLU B 48 23.262 33.471 -22.836 1.00 25.16 O +ATOM 307 CB GLU B 48 22.617 36.074 -21.598 1.00 25.09 C +ATOM 308 CG GLU B 48 21.310 35.585 -20.967 1.00 25.59 C +ATOM 309 CD GLU B 48 20.092 36.384 -21.409 1.00 25.46 C +ATOM 310 OE1 GLU B 48 20.194 37.622 -21.544 1.00 26.02 O +ATOM 311 OE2 GLU B 48 19.021 35.767 -21.607 1.00 25.92 O +ATOM 312 N SER B 54 28.836 32.295 -24.865 1.00 38.82 N +ATOM 313 CA SER B 54 27.477 32.171 -25.389 1.00 38.84 C +ATOM 314 C SER B 54 27.269 33.090 -26.597 1.00 38.65 C +ATOM 315 O SER B 54 28.004 34.069 -26.772 1.00 38.73 O +ATOM 316 CB SER B 54 26.458 32.505 -24.295 1.00 38.88 C +ATOM 317 OG SER B 54 26.608 33.851 -23.860 1.00 39.23 O +ATOM 326 N LEU B 56 24.352 34.870 -27.285 1.00 35.66 N +ATOM 327 CA LEU B 56 23.599 36.063 -26.883 1.00 34.69 C +ATOM 328 C LEU B 56 24.312 36.863 -25.790 1.00 33.75 C +ATOM 329 O LEU B 56 24.689 36.314 -24.751 1.00 33.64 O +ATOM 330 CB LEU B 56 22.180 35.688 -26.428 1.00 34.72 C +ATOM 331 CG LEU B 56 21.211 36.802 -25.996 1.00 35.06 C +ATOM 332 CD1 LEU B 56 20.773 37.673 -27.170 1.00 34.54 C +ATOM 333 CD2 LEU B 56 19.995 36.212 -25.301 1.00 34.79 C +ATOM 334 N TRP B 57 24.479 38.161 -26.041 1.00 32.69 N +ATOM 335 CA TRP B 57 25.124 39.086 -25.105 1.00 31.55 C +ATOM 336 C TRP B 57 24.138 40.169 -24.669 1.00 30.92 C +ATOM 337 O TRP B 57 23.389 40.698 -25.491 1.00 30.74 O +ATOM 338 CB TRP B 57 26.362 39.712 -25.749 1.00 31.47 C +ATOM 339 CG TRP B 57 27.496 38.750 -25.917 1.00 31.16 C +ATOM 340 CD1 TRP B 57 27.585 37.740 -26.829 1.00 31.07 C +ATOM 341 CD2 TRP B 57 28.710 38.714 -25.159 1.00 31.05 C +ATOM 342 NE1 TRP B 57 28.774 37.069 -26.680 1.00 31.15 N +ATOM 343 CE2 TRP B 57 29.485 37.646 -25.662 1.00 31.07 C +ATOM 344 CE3 TRP B 57 29.219 39.478 -24.100 1.00 30.77 C +ATOM 345 CZ2 TRP B 57 30.743 37.321 -25.143 1.00 31.17 C +ATOM 346 CZ3 TRP B 57 30.468 39.156 -23.585 1.00 31.03 C +ATOM 347 CH2 TRP B 57 31.217 38.087 -24.109 1.00 30.94 C +ATOM 348 N LYS B 58 24.148 40.501 -23.379 1.00 30.13 N +ATOM 349 CA LYS B 58 23.177 41.447 -22.823 1.00 29.51 C +ATOM 350 C LYS B 58 23.747 42.437 -21.797 1.00 28.97 C +ATOM 351 O LYS B 58 24.622 42.097 -20.998 1.00 28.66 O +ATOM 352 CB LYS B 58 21.982 40.671 -22.242 1.00 29.58 C +ATOM 353 CG LYS B 58 20.809 41.519 -21.738 1.00 30.10 C +ATOM 354 CD LYS B 58 20.777 41.660 -20.219 1.00 30.84 C +ATOM 355 CE LYS B 58 20.190 40.413 -19.564 1.00 31.11 C +ATOM 356 NZ LYS B 58 20.022 40.573 -18.094 1.00 31.77 N +ATOM 357 N ALA B 59 23.227 43.662 -21.837 1.00 28.33 N +ATOM 358 CA ALA B 59 23.588 44.709 -20.884 1.00 27.87 C +ATOM 359 C ALA B 59 22.340 45.475 -20.442 1.00 27.45 C +ATOM 360 O ALA B 59 21.557 45.933 -21.279 1.00 27.33 O +ATOM 361 CB ALA B 59 24.619 45.661 -21.496 1.00 27.96 C +ATOM 362 N THR B 60 22.154 45.601 -19.130 1.00 26.89 N +ATOM 363 CA THR B 60 21.018 46.342 -18.579 1.00 26.46 C +ATOM 364 C THR B 60 21.467 47.727 -18.112 1.00 26.20 C +ATOM 365 O THR B 60 22.260 47.855 -17.178 1.00 26.07 O +ATOM 366 CB THR B 60 20.332 45.570 -17.440 1.00 26.47 C +ATOM 367 OG1 THR B 60 19.899 44.294 -17.929 1.00 26.61 O +ATOM 368 CG2 THR B 60 19.131 46.338 -16.924 1.00 26.18 C +ATOM 369 N ILE B 61 20.939 48.755 -18.771 1.00 25.95 N +ATOM 370 CA ILE B 61 21.366 50.137 -18.557 1.00 25.83 C +ATOM 371 C ILE B 61 20.185 51.067 -18.283 1.00 25.57 C +ATOM 372 O ILE B 61 19.143 50.972 -18.936 1.00 25.46 O +ATOM 373 CB ILE B 61 22.185 50.630 -19.784 1.00 25.84 C +ATOM 374 CG1 ILE B 61 23.460 49.790 -19.928 1.00 26.26 C +ATOM 375 CG2 ILE B 61 22.525 52.115 -19.680 1.00 25.78 C +ATOM 376 CD1 ILE B 61 23.981 49.684 -21.342 1.00 26.99 C +ATOM 377 N VAL B 62 20.362 51.961 -17.313 1.00 25.36 N +ATOM 378 CA VAL B 62 19.329 52.927 -16.944 1.00 25.12 C +ATOM 379 C VAL B 62 19.480 54.219 -17.752 1.00 25.04 C +ATOM 380 O VAL B 62 20.510 54.895 -17.681 1.00 24.92 O +ATOM 381 CB VAL B 62 19.346 53.240 -15.421 1.00 25.09 C +ATOM 382 CG1 VAL B 62 18.186 54.154 -15.044 1.00 24.88 C +ATOM 383 CG2 VAL B 62 19.286 51.951 -14.606 1.00 25.11 C +ATOM 384 N LEU B 63 18.447 54.543 -18.525 1.00 25.00 N +ATOM 385 CA LEU B 63 18.417 55.764 -19.327 1.00 24.99 C +ATOM 386 C LEU B 63 17.298 56.678 -18.833 1.00 25.15 C +ATOM 387 O LEU B 63 16.475 56.268 -18.008 1.00 25.18 O +ATOM 388 CB LEU B 63 18.211 55.436 -20.813 1.00 24.92 C +ATOM 389 CG LEU B 63 19.140 54.453 -21.541 1.00 24.71 C +ATOM 390 CD1 LEU B 63 18.675 54.255 -22.977 1.00 24.65 C +ATOM 391 CD2 LEU B 63 20.592 54.902 -21.517 1.00 24.62 C +ATOM 392 N SER B 64 17.273 57.914 -19.326 1.00 25.28 N +ATOM 393 CA SER B 64 16.210 58.852 -18.971 1.00 25.41 C +ATOM 394 C SER B 64 15.026 58.688 -19.915 1.00 25.39 C +ATOM 395 O SER B 64 15.188 58.712 -21.137 1.00 25.32 O +ATOM 396 CB SER B 64 16.711 60.300 -18.980 1.00 25.48 C +ATOM 397 OG SER B 64 17.626 60.532 -17.923 1.00 25.80 O +ATOM 398 N ARG B 65 13.845 58.510 -19.327 1.00 25.41 N +ATOM 399 CA ARG B 65 12.595 58.341 -20.066 1.00 25.48 C +ATOM 400 C ARG B 65 12.272 59.584 -20.897 1.00 25.40 C +ATOM 401 O ARG B 65 12.374 60.712 -20.408 1.00 25.39 O +ATOM 402 CB ARG B 65 11.450 58.043 -19.088 1.00 25.54 C +ATOM 403 CG ARG B 65 10.092 57.786 -19.728 1.00 25.97 C +ATOM 404 CD ARG B 65 8.967 57.929 -18.706 1.00 27.02 C +ATOM 405 NE ARG B 65 8.872 56.787 -17.796 1.00 27.51 N +ATOM 406 CZ ARG B 65 7.889 55.889 -17.814 1.00 27.61 C +ATOM 407 NH1 ARG B 65 6.892 55.996 -18.685 1.00 27.77 N +ATOM 408 NH2 ARG B 65 7.893 54.886 -16.946 1.00 27.70 N +ATOM 409 N GLY B 66 11.899 59.362 -22.156 1.00 25.35 N +ATOM 410 CA GLY B 66 11.502 60.437 -23.068 1.00 25.26 C +ATOM 411 C GLY B 66 12.628 61.088 -23.853 1.00 25.22 C +ATOM 412 O GLY B 66 12.371 61.879 -24.764 1.00 25.27 O +ATOM 413 N VAL B 67 13.870 60.750 -23.510 1.00 25.05 N +ATOM 414 CA VAL B 67 15.044 61.346 -24.145 1.00 24.93 C +ATOM 415 C VAL B 67 15.608 60.463 -25.262 1.00 24.87 C +ATOM 416 O VAL B 67 15.933 59.293 -25.038 1.00 24.94 O +ATOM 417 CB VAL B 67 16.154 61.671 -23.103 1.00 24.93 C +ATOM 418 CG1 VAL B 67 17.368 62.316 -23.771 1.00 24.80 C +ATOM 419 CG2 VAL B 67 15.612 62.578 -22.002 1.00 24.90 C +ATOM 420 N SER B 68 15.721 61.040 -26.458 1.00 24.76 N +ATOM 421 CA SER B 68 16.283 60.354 -27.621 1.00 24.57 C +ATOM 422 C SER B 68 17.785 60.116 -27.462 1.00 24.38 C +ATOM 423 O SER B 68 18.548 61.048 -27.186 1.00 24.39 O +ATOM 424 CB SER B 68 16.010 61.149 -28.899 1.00 24.63 C +ATOM 425 OG SER B 68 16.646 60.546 -30.012 1.00 25.02 O +ATOM 426 N VAL B 69 18.193 58.861 -27.643 1.00 24.07 N +ATOM 427 CA VAL B 69 19.585 58.445 -27.493 1.00 23.72 C +ATOM 428 C VAL B 69 20.053 57.643 -28.710 1.00 23.59 C +ATOM 429 O VAL B 69 19.353 56.739 -29.171 1.00 23.58 O +ATOM 430 CB VAL B 69 19.784 57.619 -26.184 1.00 23.72 C +ATOM 431 CG1 VAL B 69 21.137 56.910 -26.161 1.00 23.89 C +ATOM 432 CG2 VAL B 69 19.630 58.505 -24.954 1.00 23.50 C +ATOM 433 N GLN B 70 21.229 57.992 -29.230 1.00 23.47 N +ATOM 434 CA GLN B 70 21.847 57.273 -30.350 1.00 23.33 C +ATOM 435 C GLN B 70 22.950 56.352 -29.824 1.00 23.10 C +ATOM 436 O GLN B 70 23.658 56.716 -28.884 1.00 22.90 O +ATOM 437 CB GLN B 70 22.415 58.250 -31.388 1.00 23.38 C +ATOM 438 CG GLN B 70 21.366 59.113 -32.107 1.00 24.19 C +ATOM 439 CD GLN B 70 20.834 60.257 -31.252 1.00 25.37 C +ATOM 440 OE1 GLN B 70 21.597 60.958 -30.579 1.00 26.49 O +ATOM 441 NE2 GLN B 70 19.520 60.460 -31.286 1.00 25.95 N +ATOM 442 N TYR B 71 23.099 55.170 -30.426 1.00 22.83 N +ATOM 443 CA TYR B 71 24.085 54.184 -29.954 1.00 22.62 C +ATOM 444 C TYR B 71 24.571 53.220 -31.043 1.00 22.66 C +ATOM 445 O TYR B 71 23.901 53.026 -32.056 1.00 22.28 O +ATOM 446 CB TYR B 71 23.518 53.380 -28.769 1.00 22.44 C +ATOM 447 CG TYR B 71 22.378 52.444 -29.125 1.00 22.44 C +ATOM 448 CD1 TYR B 71 22.617 51.097 -29.399 1.00 22.37 C +ATOM 449 CD2 TYR B 71 21.061 52.905 -29.186 1.00 22.27 C +ATOM 450 CE1 TYR B 71 21.573 50.231 -29.729 1.00 22.46 C +ATOM 451 CE2 TYR B 71 20.008 52.048 -29.521 1.00 22.30 C +ATOM 452 CZ TYR B 71 20.271 50.716 -29.789 1.00 22.40 C +ATOM 453 OH TYR B 71 19.236 49.872 -30.113 1.00 21.90 O +ATOM 454 N ARG B 72 25.739 52.623 -30.806 1.00 22.51 N +ATOM 455 CA ARG B 72 26.334 51.613 -31.686 1.00 22.68 C +ATOM 456 C ARG B 72 27.030 50.556 -30.828 1.00 22.01 C +ATOM 457 O ARG B 72 27.414 50.824 -29.684 1.00 21.65 O +ATOM 458 CB ARG B 72 27.366 52.236 -32.636 1.00 22.57 C +ATOM 459 CG ARG B 72 26.830 53.268 -33.622 1.00 24.00 C +ATOM 460 CD ARG B 72 27.978 54.000 -34.313 1.00 24.90 C +ATOM 461 NE ARG B 72 28.577 53.228 -35.403 1.00 29.40 N +ATOM 462 CZ ARG B 72 29.813 53.412 -35.866 1.00 31.21 C +ATOM 463 NH1 ARG B 72 30.613 54.324 -35.319 1.00 32.30 N +ATOM 464 NH2 ARG B 72 30.263 52.663 -36.867 1.00 32.38 N +ATOM 465 N TYR B 73 27.186 49.355 -31.378 1.00 21.46 N +ATOM 466 CA TYR B 73 27.904 48.292 -30.687 1.00 20.90 C +ATOM 467 C TYR B 73 29.304 48.150 -31.264 1.00 20.72 C +ATOM 468 O TYR B 73 29.533 48.411 -32.451 1.00 20.64 O +ATOM 469 CB TYR B 73 27.186 46.943 -30.829 1.00 20.67 C +ATOM 470 CG TYR B 73 25.808 46.860 -30.209 1.00 20.21 C +ATOM 471 CD1 TYR B 73 25.648 46.585 -28.851 1.00 18.84 C +ATOM 472 CD2 TYR B 73 24.662 47.020 -30.990 1.00 20.04 C +ATOM 473 CE1 TYR B 73 24.387 46.494 -28.281 1.00 19.12 C +ATOM 474 CE2 TYR B 73 23.393 46.928 -30.431 1.00 19.62 C +ATOM 475 CZ TYR B 73 23.262 46.666 -29.076 1.00 19.91 C +ATOM 476 OH TYR B 73 22.009 46.575 -28.515 1.00 20.20 O +ATOM 477 N PHE B 74 30.246 47.751 -30.417 1.00 20.31 N +ATOM 478 CA PHE B 74 31.550 47.351 -30.915 1.00 19.96 C +ATOM 479 C PHE B 74 31.999 46.066 -30.243 1.00 19.89 C +ATOM 480 O PHE B 74 31.420 45.636 -29.244 1.00 19.72 O +ATOM 481 CB PHE B 74 32.608 48.479 -30.840 1.00 19.75 C +ATOM 482 CG PHE B 74 33.009 48.890 -29.444 1.00 19.75 C +ATOM 483 CD1 PHE B 74 32.474 50.036 -28.864 1.00 20.03 C +ATOM 484 CD2 PHE B 74 33.967 48.166 -28.734 1.00 18.69 C +ATOM 485 CE1 PHE B 74 32.865 50.439 -27.586 1.00 19.39 C +ATOM 486 CE2 PHE B 74 34.361 48.551 -27.453 1.00 18.61 C +ATOM 487 CZ PHE B 74 33.814 49.692 -26.879 1.00 19.76 C +ATOM 488 N LYS B 75 32.989 45.423 -30.847 1.00 19.92 N +ATOM 489 CA LYS B 75 33.630 44.271 -30.250 1.00 19.82 C +ATOM 490 C LYS B 75 35.011 44.729 -29.821 1.00 19.16 C +ATOM 491 O LYS B 75 35.662 45.517 -30.515 1.00 18.76 O +ATOM 492 CB LYS B 75 33.713 43.091 -31.223 1.00 19.70 C +ATOM 493 CG LYS B 75 34.352 43.416 -32.571 1.00 20.67 C +ATOM 494 CD LYS B 75 34.631 42.176 -33.428 1.00 21.02 C +ATOM 495 CE LYS B 75 33.376 41.508 -33.949 1.00 24.68 C +ATOM 496 NZ LYS B 75 32.612 40.847 -32.857 1.00 26.35 N +ATOM 497 N GLY B 76 35.450 44.242 -28.672 1.00 18.90 N +ATOM 498 CA GLY B 76 36.742 44.629 -28.146 1.00 18.80 C +ATOM 499 C GLY B 76 37.072 43.963 -26.833 1.00 18.85 C +ATOM 500 O GLY B 76 36.439 42.991 -26.439 1.00 18.89 O +ATOM 501 N TYR B 77 38.069 44.518 -26.155 1.00 18.85 N +ATOM 502 CA TYR B 77 38.588 43.954 -24.915 1.00 18.83 C +ATOM 503 C TYR B 77 38.507 44.971 -23.793 1.00 18.77 C +ATOM 504 O TYR B 77 38.836 46.144 -23.988 1.00 18.50 O +ATOM 505 CB TYR B 77 40.042 43.504 -25.114 1.00 18.67 C +ATOM 506 CG TYR B 77 40.194 42.547 -26.272 1.00 18.93 C +ATOM 507 CD1 TYR B 77 40.081 41.173 -26.083 1.00 18.80 C +ATOM 508 CD2 TYR B 77 40.411 43.021 -27.567 1.00 18.96 C +ATOM 509 CE1 TYR B 77 40.199 40.291 -27.149 1.00 19.51 C +ATOM 510 CE2 TYR B 77 40.528 42.145 -28.643 1.00 19.56 C +ATOM 511 CZ TYR B 77 40.420 40.785 -28.427 1.00 19.09 C +ATOM 512 OH TYR B 77 40.534 39.922 -29.490 1.00 19.61 O +ATOM 513 N PHE B 78 38.041 44.505 -22.635 1.00 18.65 N +ATOM 514 CA PHE B 78 37.981 45.304 -21.416 1.00 19.23 C +ATOM 515 C PHE B 78 39.064 44.766 -20.492 1.00 19.41 C +ATOM 516 O PHE B 78 38.980 43.640 -19.993 1.00 19.33 O +ATOM 517 CB PHE B 78 36.589 45.233 -20.774 1.00 19.05 C +ATOM 518 CG PHE B 78 35.555 46.085 -21.469 1.00 19.29 C +ATOM 519 CD1 PHE B 78 34.972 47.164 -20.812 1.00 19.31 C +ATOM 520 CD2 PHE B 78 35.177 45.820 -22.787 1.00 19.59 C +ATOM 521 CE1 PHE B 78 34.022 47.959 -21.451 1.00 19.13 C +ATOM 522 CE2 PHE B 78 34.229 46.613 -23.436 1.00 20.34 C +ATOM 523 CZ PHE B 78 33.654 47.687 -22.763 1.00 18.67 C +ATOM 524 N LEU B 79 40.092 45.579 -20.288 1.00 19.92 N +ATOM 525 CA LEU B 79 41.280 45.152 -19.570 1.00 20.95 C +ATOM 526 C LEU B 79 41.257 45.486 -18.093 1.00 21.68 C +ATOM 527 O LEU B 79 40.728 46.515 -17.688 1.00 21.87 O +ATOM 528 CB LEU B 79 42.529 45.771 -20.204 1.00 20.79 C +ATOM 529 CG LEU B 79 42.709 45.632 -21.722 1.00 21.80 C +ATOM 530 CD1 LEU B 79 43.916 46.411 -22.154 1.00 22.73 C +ATOM 531 CD2 LEU B 79 42.837 44.199 -22.160 1.00 23.31 C +ATOM 532 N GLU B 80 41.847 44.602 -17.299 1.00 22.40 N +ATOM 533 CA GLU B 80 42.042 44.837 -15.881 1.00 24.01 C +ATOM 534 C GLU B 80 42.969 46.064 -15.759 1.00 23.99 C +ATOM 535 O GLU B 80 43.802 46.292 -16.644 1.00 23.57 O +ATOM 536 CB GLU B 80 42.679 43.593 -15.244 1.00 24.00 C +ATOM 537 CG GLU B 80 42.435 43.421 -13.758 1.00 27.73 C +ATOM 538 CD GLU B 80 40.998 43.034 -13.422 1.00 30.91 C +ATOM 539 OE1 GLU B 80 40.579 41.902 -13.757 1.00 31.68 O +ATOM 540 OE2 GLU B 80 40.301 43.857 -12.790 1.00 33.17 O +ATOM 541 N PRO B 81 42.817 46.868 -14.684 1.00 24.56 N +ATOM 542 CA PRO B 81 43.710 48.011 -14.481 1.00 24.86 C +ATOM 543 C PRO B 81 45.184 47.603 -14.522 1.00 25.15 C +ATOM 544 O PRO B 81 45.556 46.555 -13.984 1.00 24.84 O +ATOM 545 CB PRO B 81 43.369 48.480 -13.060 1.00 24.80 C +ATOM 546 CG PRO B 81 42.006 47.991 -12.800 1.00 24.99 C +ATOM 547 CD PRO B 81 41.810 46.753 -13.610 1.00 24.56 C +ATOM 548 N LYS B 82 46.003 48.435 -15.158 1.00 25.52 N +ATOM 549 CA LYS B 82 47.437 48.200 -15.269 1.00 26.33 C +ATOM 550 C LYS B 82 48.118 48.477 -13.929 1.00 26.16 C +ATOM 551 O LYS B 82 49.028 47.753 -13.518 1.00 26.02 O +ATOM 552 CB LYS B 82 48.016 49.080 -16.379 1.00 26.36 C +ATOM 553 CG LYS B 82 49.486 48.856 -16.672 1.00 27.17 C +ATOM 554 CD LYS B 82 49.969 49.745 -17.813 1.00 27.71 C +ATOM 555 CE LYS B 82 49.452 49.271 -19.164 1.00 30.07 C +ATOM 556 NZ LYS B 82 50.070 50.039 -20.280 1.00 31.99 N +ATOM 557 N THR B 83 47.658 49.533 -13.261 1.00 26.35 N +ATOM 558 CA THR B 83 48.119 49.900 -11.929 1.00 26.86 C +ATOM 559 C THR B 83 46.985 49.608 -10.952 1.00 26.68 C +ATOM 560 O THR B 83 45.814 49.594 -11.336 1.00 26.74 O +ATOM 561 CB THR B 83 48.485 51.396 -11.845 1.00 26.93 C +ATOM 562 OG1 THR B 83 47.338 52.186 -12.182 1.00 27.17 O +ATOM 563 CG2 THR B 83 49.625 51.730 -12.804 1.00 27.52 C +ATOM 564 N ILE B 84 47.329 49.389 -9.692 1.00 26.58 N +ATOM 565 CA ILE B 84 46.334 49.075 -8.673 1.00 26.64 C +ATOM 566 C ILE B 84 45.263 50.172 -8.547 1.00 26.50 C +ATOM 567 O ILE B 84 45.564 51.324 -8.217 1.00 26.63 O +ATOM 568 CB ILE B 84 47.000 48.782 -7.300 1.00 26.64 C +ATOM 569 CG1 ILE B 84 48.045 47.654 -7.419 1.00 26.85 C +ATOM 570 CG2 ILE B 84 45.946 48.497 -6.222 1.00 26.63 C +ATOM 571 CD1 ILE B 84 47.528 46.336 -8.013 1.00 26.89 C +ATOM 572 N GLY B 85 44.019 49.793 -8.828 1.00 26.26 N +ATOM 573 CA GLY B 85 42.884 50.701 -8.730 1.00 26.25 C +ATOM 574 C GLY B 85 42.657 51.585 -9.943 1.00 26.41 C +ATOM 575 O GLY B 85 41.753 52.423 -9.936 1.00 26.38 O +ATOM 576 N GLY B 86 43.464 51.392 -10.985 1.00 26.28 N +ATOM 577 CA GLY B 86 43.347 52.169 -12.221 1.00 26.67 C +ATOM 578 C GLY B 86 42.051 51.897 -12.965 1.00 26.94 C +ATOM 579 O GLY B 86 41.296 51.002 -12.596 1.00 26.76 O +ATOM 580 N PRO B 87 41.771 52.674 -14.024 1.00 27.47 N +ATOM 581 CA PRO B 87 40.540 52.397 -14.756 1.00 27.57 C +ATOM 582 C PRO B 87 40.713 51.183 -15.666 1.00 27.58 C +ATOM 583 O PRO B 87 41.844 50.824 -16.002 1.00 27.49 O +ATOM 584 CB PRO B 87 40.345 53.662 -15.592 1.00 27.79 C +ATOM 585 CG PRO B 87 41.732 54.150 -15.845 1.00 27.73 C +ATOM 586 CD PRO B 87 42.525 53.802 -14.604 1.00 27.77 C +ATOM 587 N CYS B 88 39.603 50.537 -16.014 1.00 28.09 N +ATOM 588 CA CYS B 88 39.607 49.468 -17.002 1.00 27.96 C +ATOM 589 C CYS B 88 39.923 50.116 -18.344 1.00 27.27 C +ATOM 590 O CYS B 88 39.308 51.120 -18.707 1.00 27.58 O +ATOM 591 CB CYS B 88 38.234 48.784 -17.053 1.00 28.21 C +ATOM 592 SG CYS B 88 37.917 47.756 -18.522 1.00 31.12 S +ATOM 593 N GLN B 89 40.909 49.585 -19.058 1.00 26.40 N +ATOM 594 CA GLN B 89 41.220 50.106 -20.375 1.00 25.40 C +ATOM 595 C GLN B 89 40.417 49.332 -21.409 1.00 24.47 C +ATOM 596 O GLN B 89 40.288 48.108 -21.328 1.00 24.45 O +ATOM 597 CB GLN B 89 42.717 50.046 -20.696 1.00 25.36 C +ATOM 598 CG GLN B 89 43.057 50.752 -22.028 1.00 25.90 C +ATOM 599 CD GLN B 89 44.528 50.748 -22.396 1.00 25.84 C +ATOM 600 OE1 GLN B 89 44.882 50.984 -23.557 1.00 28.10 O +ATOM 601 NE2 GLN B 89 45.392 50.489 -21.425 1.00 26.72 N +ATOM 602 N VAL B 90 39.876 50.057 -22.377 1.00 23.28 N +ATOM 603 CA VAL B 90 39.083 49.446 -23.425 1.00 22.40 C +ATOM 604 C VAL B 90 39.867 49.493 -24.732 1.00 21.87 C +ATOM 605 O VAL B 90 40.441 50.525 -25.090 1.00 21.22 O +ATOM 606 CB VAL B 90 37.693 50.131 -23.572 1.00 22.39 C +ATOM 607 CG1 VAL B 90 36.854 49.461 -24.678 1.00 21.86 C +ATOM 608 CG2 VAL B 90 36.949 50.101 -22.255 1.00 21.81 C +ATOM 609 N ILE B 91 39.927 48.353 -25.411 1.00 21.57 N +ATOM 610 CA ILE B 91 40.559 48.273 -26.720 1.00 21.25 C +ATOM 611 C ILE B 91 39.495 47.907 -27.743 1.00 21.30 C +ATOM 612 O ILE B 91 38.930 46.815 -27.699 1.00 20.91 O +ATOM 613 CB ILE B 91 41.751 47.278 -26.749 1.00 21.38 C +ATOM 614 CG1 ILE B 91 42.856 47.780 -25.817 1.00 21.31 C +ATOM 615 CG2 ILE B 91 42.276 47.097 -28.191 1.00 21.37 C +ATOM 616 CD1 ILE B 91 44.046 46.897 -25.742 1.00 23.03 C +ATOM 617 N VAL B 92 39.208 48.851 -28.639 1.00 21.22 N +ATOM 618 CA VAL B 92 38.233 48.647 -29.701 1.00 21.08 C +ATOM 619 C VAL B 92 38.883 47.844 -30.825 1.00 21.31 C +ATOM 620 O VAL B 92 39.921 48.239 -31.371 1.00 21.11 O +ATOM 621 CB VAL B 92 37.668 49.996 -30.252 1.00 21.09 C +ATOM 622 CG1 VAL B 92 36.720 49.764 -31.448 1.00 20.89 C +ATOM 623 CG2 VAL B 92 36.950 50.775 -29.156 1.00 20.75 C +ATOM 624 N HIS B 93 38.286 46.698 -31.136 1.00 21.54 N +ATOM 625 CA HIS B 93 38.720 45.884 -32.259 1.00 21.84 C +ATOM 626 C HIS B 93 37.971 46.369 -33.504 1.00 22.11 C +ATOM 627 O HIS B 93 38.598 46.850 -34.456 1.00 22.04 O +ATOM 628 CB HIS B 93 38.510 44.389 -31.961 1.00 22.07 C +ATOM 629 CG HIS B 93 38.832 43.475 -33.107 1.00 22.65 C +ATOM 630 ND1 HIS B 93 38.053 42.382 -33.424 1.00 23.93 N +ATOM 631 CD2 HIS B 93 39.834 43.497 -34.019 1.00 23.91 C +ATOM 632 CE1 HIS B 93 38.564 41.767 -34.478 1.00 23.75 C +ATOM 633 NE2 HIS B 93 39.646 42.422 -34.857 1.00 23.37 N +ATOM 634 N LYS B 94 36.640 46.266 -33.490 1.00 22.08 N +ATOM 635 CA LYS B 94 35.813 46.734 -34.603 1.00 22.74 C +ATOM 636 C LYS B 94 34.437 47.224 -34.161 1.00 22.44 C +ATOM 637 O LYS B 94 33.798 46.635 -33.287 1.00 22.35 O +ATOM 638 CB LYS B 94 35.639 45.648 -35.687 1.00 22.70 C +ATOM 639 CG LYS B 94 36.944 45.147 -36.300 1.00 23.32 C +ATOM 640 CD LYS B 94 36.752 44.350 -37.571 1.00 24.07 C +ATOM 641 CE LYS B 94 38.078 43.736 -38.033 1.00 26.59 C +ATOM 642 NZ LYS B 94 39.222 44.709 -37.968 1.00 27.65 N +ATOM 643 N TRP B 95 33.997 48.317 -34.771 1.00 22.58 N +ATOM 644 CA TRP B 95 32.632 48.786 -34.608 1.00 22.85 C +ATOM 645 C TRP B 95 31.768 47.987 -35.579 1.00 23.29 C +ATOM 646 O TRP B 95 32.276 47.463 -36.575 1.00 22.96 O +ATOM 647 CB TRP B 95 32.520 50.275 -34.935 1.00 22.38 C +ATOM 648 CG TRP B 95 33.113 51.195 -33.902 1.00 22.31 C +ATOM 649 CD1 TRP B 95 34.399 51.654 -33.851 1.00 21.92 C +ATOM 650 CD2 TRP B 95 32.431 51.784 -32.783 1.00 22.15 C +ATOM 651 NE1 TRP B 95 34.562 52.487 -32.768 1.00 22.26 N +ATOM 652 CE2 TRP B 95 33.371 52.584 -32.095 1.00 22.19 C +ATOM 653 CE3 TRP B 95 31.115 51.709 -32.293 1.00 22.06 C +ATOM 654 CZ2 TRP B 95 33.040 53.307 -30.940 1.00 21.96 C +ATOM 655 CZ3 TRP B 95 30.786 52.428 -31.148 1.00 22.02 C +ATOM 656 CH2 TRP B 95 31.749 53.217 -30.484 1.00 22.06 C +ATOM 657 N GLU B 96 30.474 47.884 -35.286 1.00 23.99 N +ATOM 658 CA GLU B 96 29.539 47.231 -36.201 1.00 24.90 C +ATOM 659 C GLU B 96 29.411 48.067 -37.477 1.00 25.62 C +ATOM 660 O GLU B 96 29.564 49.293 -37.443 1.00 25.72 O +ATOM 661 CB GLU B 96 28.170 47.016 -35.544 1.00 24.83 C +ATOM 662 CG GLU B 96 27.436 48.294 -35.145 1.00 24.76 C +ATOM 663 CD GLU B 96 26.093 48.026 -34.493 1.00 24.85 C +ATOM 664 OE1 GLU B 96 25.610 48.919 -33.761 1.00 24.46 O +ATOM 665 OE2 GLU B 96 25.527 46.928 -34.705 1.00 23.98 O +ATOM 666 N THR B 97 29.134 47.399 -38.596 1.00 26.48 N +ATOM 667 CA THR B 97 29.036 48.075 -39.894 1.00 27.26 C +ATOM 668 C THR B 97 27.623 48.595 -40.222 1.00 27.58 C +ATOM 669 O THR B 97 27.315 48.907 -41.378 1.00 27.95 O +ATOM 670 CB THR B 97 29.612 47.195 -41.038 1.00 27.23 C +ATOM 671 OG1 THR B 97 29.597 47.931 -42.269 1.00 28.24 O +ATOM 672 CG2 THR B 97 28.814 45.901 -41.204 1.00 27.56 C +ATOM 673 N HIS B 98 26.777 48.689 -39.196 1.00 28.05 N +ATOM 674 CA HIS B 98 25.406 49.184 -39.335 1.00 28.41 C +ATOM 675 C HIS B 98 25.397 50.622 -39.854 1.00 28.54 C +ATOM 676 O HIS B 98 26.246 51.433 -39.480 1.00 28.71 O +ATOM 677 CB HIS B 98 24.673 49.100 -37.989 1.00 28.58 C +ATOM 678 CG HIS B 98 23.240 49.532 -38.048 1.00 29.20 C +ATOM 679 ND1 HIS B 98 22.204 48.648 -38.258 1.00 29.53 N +ATOM 680 CD2 HIS B 98 22.671 50.756 -37.926 1.00 29.79 C +ATOM 681 CE1 HIS B 98 21.059 49.307 -38.264 1.00 29.73 C +ATOM 682 NE2 HIS B 98 21.314 50.588 -38.067 1.00 29.81 N +ATOM 683 N PRO B 101 23.949 55.050 -37.272 1.00 28.63 N +ATOM 684 CA PRO B 101 23.845 54.562 -35.900 1.00 28.45 C +ATOM 685 C PRO B 101 22.405 54.224 -35.510 1.00 28.28 C +ATOM 686 O PRO B 101 21.464 54.625 -36.196 1.00 28.18 O +ATOM 687 CB PRO B 101 24.370 55.736 -35.067 1.00 28.43 C +ATOM 688 CG PRO B 101 24.133 56.950 -35.900 1.00 28.66 C +ATOM 689 CD PRO B 101 24.012 56.522 -37.342 1.00 28.75 C +ATOM 690 N ARG B 102 22.253 53.485 -34.413 1.00 27.99 N +ATOM 691 CA ARG B 102 20.943 53.076 -33.913 1.00 27.57 C +ATOM 692 C ARG B 102 20.415 54.152 -32.971 1.00 27.28 C +ATOM 693 O ARG B 102 21.186 54.972 -32.476 1.00 26.92 O +ATOM 694 CB ARG B 102 21.053 51.734 -33.178 1.00 27.58 C +ATOM 695 CG ARG B 102 21.715 50.624 -33.989 1.00 27.64 C +ATOM 696 CD ARG B 102 21.949 49.382 -33.142 1.00 27.53 C +ATOM 697 NE ARG B 102 22.583 48.299 -33.894 1.00 27.11 N +ATOM 698 CZ ARG B 102 21.923 47.395 -34.616 1.00 26.78 C +ATOM 699 NH1 ARG B 102 20.600 47.436 -34.697 1.00 26.24 N +ATOM 700 NH2 ARG B 102 22.590 46.446 -35.263 1.00 26.46 N +ATOM 701 N SER B 103 19.106 54.159 -32.732 1.00 27.02 N +ATOM 702 CA SER B 103 18.506 55.135 -31.820 1.00 26.98 C +ATOM 703 C SER B 103 17.309 54.592 -31.040 1.00 26.83 C +ATOM 704 O SER B 103 16.590 53.711 -31.516 1.00 26.89 O +ATOM 705 CB SER B 103 18.132 56.431 -32.556 1.00 26.95 C +ATOM 706 OG SER B 103 17.183 56.193 -33.577 1.00 27.39 O +ATOM 707 N ILE B 104 17.114 55.130 -29.839 1.00 26.68 N +ATOM 708 CA ILE B 104 16.022 54.727 -28.954 1.00 26.45 C +ATOM 709 C ILE B 104 15.510 55.895 -28.106 1.00 26.37 C +ATOM 710 O ILE B 104 16.295 56.661 -27.540 1.00 26.35 O +ATOM 711 CB ILE B 104 16.434 53.536 -28.029 1.00 26.47 C +ATOM 712 CG1 ILE B 104 15.265 53.127 -27.118 1.00 26.23 C +ATOM 713 CG2 ILE B 104 17.712 53.870 -27.227 1.00 26.39 C +ATOM 714 CD1 ILE B 104 15.580 52.015 -26.134 1.00 26.49 C +ATOM 715 N THR B 105 14.188 56.027 -28.043 1.00 26.35 N +ATOM 716 CA THR B 105 13.537 57.004 -27.176 1.00 26.21 C +ATOM 717 C THR B 105 12.656 56.228 -26.187 1.00 26.18 C +ATOM 718 O THR B 105 11.495 55.933 -26.485 1.00 26.25 O +ATOM 719 CB THR B 105 12.717 58.049 -27.974 1.00 26.16 C +ATOM 720 OG1 THR B 105 13.555 58.670 -28.956 1.00 25.97 O +ATOM 721 CG2 THR B 105 12.157 59.125 -27.045 1.00 26.03 C +ATOM 722 N PRO B 106 13.224 55.869 -25.018 1.00 26.17 N +ATOM 723 CA PRO B 106 12.522 55.120 -23.975 1.00 26.13 C +ATOM 724 C PRO B 106 11.276 55.839 -23.473 1.00 26.15 C +ATOM 725 O PRO B 106 11.335 57.024 -23.147 1.00 26.08 O +ATOM 726 CB PRO B 106 13.566 55.007 -22.854 1.00 26.17 C +ATOM 727 CG PRO B 106 14.578 56.048 -23.147 1.00 26.19 C +ATOM 728 CD PRO B 106 14.616 56.163 -24.629 1.00 26.12 C +ATOM 729 N LEU B 107 10.158 55.117 -23.423 1.00 26.25 N +ATOM 730 CA LEU B 107 8.874 55.688 -23.002 1.00 26.30 C +ATOM 731 C LEU B 107 8.198 54.890 -21.882 1.00 26.31 C +ATOM 732 O LEU B 107 7.060 55.183 -21.505 1.00 26.33 O +ATOM 733 CB LEU B 107 7.929 55.835 -24.206 1.00 26.25 C +ATOM 734 CG LEU B 107 8.343 56.761 -25.359 1.00 26.22 C +ATOM 735 CD1 LEU B 107 7.428 56.564 -26.560 1.00 26.42 C +ATOM 736 CD2 LEU B 107 8.378 58.230 -24.935 1.00 26.17 C +ATOM 737 N GLU B 108 8.903 53.888 -21.357 1.00 26.30 N +ATOM 738 CA GLU B 108 8.391 53.062 -20.257 1.00 26.31 C +ATOM 739 C GLU B 108 9.491 52.655 -19.270 1.00 26.18 C +ATOM 740 O GLU B 108 10.681 52.798 -19.560 1.00 26.16 O +ATOM 741 CB GLU B 108 7.615 51.844 -20.785 1.00 26.33 C +ATOM 742 CG GLU B 108 8.373 50.970 -21.776 1.00 26.41 C +ATOM 743 CD GLU B 108 7.531 49.840 -22.351 1.00 26.52 C +ATOM 744 OE1 GLU B 108 6.345 49.705 -21.971 1.00 27.05 O +ATOM 745 OE2 GLU B 108 8.061 49.083 -23.193 1.00 26.75 O +ATOM 746 N SER B 109 9.077 52.156 -18.105 1.00 26.10 N +ATOM 747 CA SER B 109 9.996 51.789 -17.021 1.00 26.04 C +ATOM 748 C SER B 109 10.973 50.659 -17.357 1.00 25.92 C +ATOM 749 O SER B 109 12.126 50.694 -16.924 1.00 25.88 O +ATOM 750 CB SER B 109 9.218 51.458 -15.741 1.00 26.01 C +ATOM 751 OG SER B 109 8.294 50.407 -15.956 1.00 26.27 O +ATOM 752 N GLU B 110 10.509 49.663 -18.112 1.00 25.80 N +ATOM 753 CA GLU B 110 11.350 48.524 -18.509 1.00 25.63 C +ATOM 754 C GLU B 110 11.197 48.193 -19.994 1.00 25.39 C +ATOM 755 O GLU B 110 10.079 48.021 -20.491 1.00 25.30 O +ATOM 756 CB GLU B 110 11.038 47.285 -17.661 1.00 25.70 C +ATOM 757 CG GLU B 110 11.261 47.458 -16.162 1.00 25.88 C +ATOM 758 CD GLU B 110 11.035 46.176 -15.384 1.00 25.90 C +ATOM 759 OE1 GLU B 110 11.646 45.143 -15.737 1.00 26.32 O +ATOM 760 OE2 GLU B 110 10.258 46.205 -14.407 1.00 26.07 O +ATOM 761 N ILE B 111 12.330 48.106 -20.692 1.00 25.08 N +ATOM 762 CA ILE B 111 12.360 47.824 -22.131 1.00 24.89 C +ATOM 763 C ILE B 111 13.451 46.806 -22.469 1.00 24.75 C +ATOM 764 O ILE B 111 14.541 46.832 -21.888 1.00 24.70 O +ATOM 765 CB ILE B 111 12.630 49.111 -22.969 1.00 24.94 C +ATOM 766 CG1 ILE B 111 11.816 50.299 -22.451 1.00 24.97 C +ATOM 767 CG2 ILE B 111 12.355 48.866 -24.459 1.00 24.95 C +ATOM 768 CD1 ILE B 111 12.188 51.621 -23.075 1.00 24.87 C +ATOM 769 N ILE B 112 13.147 45.915 -23.412 1.00 24.51 N +ATOM 770 CA ILE B 112 14.107 44.925 -23.902 1.00 24.31 C +ATOM 771 C ILE B 112 14.340 45.133 -25.403 1.00 24.13 C +ATOM 772 O ILE B 112 13.412 45.011 -26.209 1.00 24.16 O +ATOM 773 CB ILE B 112 13.639 43.476 -23.613 1.00 24.34 C +ATOM 774 CG1 ILE B 112 13.468 43.262 -22.103 1.00 24.36 C +ATOM 775 CG2 ILE B 112 14.623 42.461 -24.206 1.00 24.33 C +ATOM 776 CD1 ILE B 112 12.716 41.997 -21.726 1.00 24.25 C +ATOM 777 N ILE B 113 15.581 45.459 -25.759 1.00 23.89 N +ATOM 778 CA ILE B 113 15.967 45.712 -27.149 1.00 23.69 C +ATOM 779 C ILE B 113 16.809 44.567 -27.709 1.00 23.64 C +ATOM 780 O ILE B 113 17.874 44.249 -27.174 1.00 23.58 O +ATOM 781 CB ILE B 113 16.759 47.050 -27.296 1.00 23.67 C +ATOM 782 CG1 ILE B 113 15.950 48.249 -26.769 1.00 23.57 C +ATOM 783 CG2 ILE B 113 17.226 47.264 -28.746 1.00 23.55 C +ATOM 784 CD1 ILE B 113 14.670 48.581 -27.545 1.00 23.43 C +ATOM 785 N ASP B 114 16.320 43.952 -28.782 1.00 23.45 N +ATOM 786 CA ASP B 114 17.047 42.894 -29.468 1.00 23.41 C +ATOM 787 C ASP B 114 17.464 43.427 -30.832 1.00 23.48 C +ATOM 788 O ASP B 114 16.634 43.581 -31.728 1.00 23.46 O +ATOM 789 CB ASP B 114 16.172 41.642 -29.612 1.00 23.33 C +ATOM 790 CG ASP B 114 16.966 40.392 -29.990 1.00 23.07 C +ATOM 791 OD1 ASP B 114 18.135 40.491 -30.424 1.00 22.46 O +ATOM 792 OD2 ASP B 114 16.401 39.289 -29.851 1.00 23.44 O +ATOM 793 N ASP B 115 18.753 43.724 -30.976 1.00 23.58 N +ATOM 794 CA ASP B 115 19.284 44.264 -32.230 1.00 23.86 C +ATOM 795 C ASP B 115 19.822 43.185 -33.181 1.00 24.14 C +ATOM 796 O ASP B 115 20.550 43.485 -34.131 1.00 24.14 O +ATOM 797 CB ASP B 115 20.320 45.366 -31.955 1.00 23.66 C +ATOM 798 CG ASP B 115 19.682 46.661 -31.461 1.00 23.45 C +ATOM 799 OD1 ASP B 115 18.585 47.024 -31.940 1.00 23.43 O +ATOM 800 OD2 ASP B 115 20.282 47.329 -30.598 1.00 22.63 O +ATOM 801 N GLY B 116 19.445 41.936 -32.917 1.00 24.60 N +ATOM 802 CA GLY B 116 19.770 40.806 -33.785 1.00 25.08 C +ATOM 803 C GLY B 116 21.222 40.378 -33.811 1.00 25.43 C +ATOM 804 O GLY B 116 21.792 40.019 -32.781 1.00 25.32 O +ATOM 805 N GLN B 117 21.810 40.409 -35.005 1.00 25.86 N +ATOM 806 CA GLN B 117 23.190 39.980 -35.216 1.00 26.32 C +ATOM 807 C GLN B 117 24.121 41.165 -35.443 1.00 26.66 C +ATOM 808 O GLN B 117 23.742 42.153 -36.075 1.00 26.78 O +ATOM 809 CB GLN B 117 23.276 39.008 -36.401 1.00 26.36 C +ATOM 810 CG GLN B 117 22.508 37.695 -36.213 1.00 26.56 C +ATOM 811 CD GLN B 117 23.150 36.752 -35.199 1.00 26.89 C +ATOM 812 OE1 GLN B 117 24.368 36.747 -35.012 1.00 26.58 O +ATOM 813 NE2 GLN B 117 22.326 35.933 -34.555 1.00 27.20 N +ATOM 814 N PHE B 118 25.340 41.045 -34.922 1.00 26.96 N +ATOM 815 CA PHE B 118 26.367 42.077 -35.034 1.00 27.44 C +ATOM 816 C PHE B 118 26.884 42.199 -36.469 1.00 27.90 C +ATOM 817 O PHE B 118 27.350 41.220 -37.061 1.00 27.85 O +ATOM 818 CB PHE B 118 27.518 41.765 -34.065 1.00 27.09 C +ATOM 819 CG PHE B 118 28.569 42.847 -33.970 1.00 26.86 C +ATOM 820 CD1 PHE B 118 28.484 43.835 -32.992 1.00 26.11 C +ATOM 821 CD2 PHE B 118 29.666 42.854 -34.830 1.00 26.49 C +ATOM 822 CE1 PHE B 118 29.459 44.817 -32.886 1.00 25.76 C +ATOM 823 CE2 PHE B 118 30.643 43.839 -34.732 1.00 26.24 C +ATOM 824 CZ PHE B 118 30.540 44.818 -33.758 1.00 25.92 C +ATOM 825 N GLY B 119 26.790 43.408 -37.017 1.00 28.67 N +ATOM 826 CA GLY B 119 27.298 43.698 -38.355 1.00 29.38 C +ATOM 827 C GLY B 119 28.789 43.984 -38.315 1.00 29.94 C +ATOM 828 O GLY B 119 29.557 43.463 -39.131 1.00 30.63 O Added: SwiftApps/modFTdock/input/2z0b-5.pdb =================================================================== --- SwiftApps/modFTdock/input/2z0b-5.pdb (rev 0) +++ SwiftApps/modFTdock/input/2z0b-5.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,815 @@ +ATOM 1 N PRO E 8 13.135 70.910 -9.323 1.00 23.55 N +ATOM 2 CA PRO E 8 14.122 71.990 -9.349 1.00 23.53 C +ATOM 3 C PRO E 8 13.632 73.235 -8.603 1.00 23.49 C +ATOM 4 O PRO E 8 12.680 73.890 -9.036 1.00 23.43 O +ATOM 5 CB PRO E 8 14.289 72.284 -10.847 1.00 23.57 C +ATOM 6 CG PRO E 8 13.802 71.050 -11.542 1.00 23.61 C +ATOM 7 CD PRO E 8 12.712 70.507 -10.675 1.00 23.54 C +ATOM 8 N SER E 9 14.285 73.546 -7.487 1.00 23.46 N +ATOM 9 CA SER E 9 13.928 74.701 -6.667 1.00 23.38 C +ATOM 10 C SER E 9 15.074 75.709 -6.610 1.00 23.30 C +ATOM 11 O SER E 9 16.166 75.392 -6.134 1.00 23.22 O +ATOM 12 CB SER E 9 13.543 74.252 -5.255 1.00 23.42 C +ATOM 13 OG SER E 9 13.168 75.356 -4.447 1.00 23.38 O +ATOM 14 N GLN E 10 14.815 76.918 -7.102 1.00 23.17 N +ATOM 15 CA GLN E 10 15.814 77.988 -7.102 1.00 23.18 C +ATOM 16 C GLN E 10 15.753 78.741 -5.777 1.00 22.90 C +ATOM 17 O GLN E 10 14.810 79.495 -5.522 1.00 22.94 O +ATOM 18 CB GLN E 10 15.601 78.937 -8.286 1.00 23.20 C +ATOM 19 CG GLN E 10 15.644 78.253 -9.651 1.00 23.49 C +ATOM 20 CD GLN E 10 15.466 79.222 -10.806 1.00 23.58 C +ATOM 21 OE1 GLN E 10 15.997 80.335 -10.792 1.00 24.24 O +ATOM 22 NE2 GLN E 10 14.722 78.797 -11.822 1.00 24.14 N +ATOM 23 N VAL E 11 16.764 78.527 -4.940 1.00 22.61 N +ATOM 24 CA VAL E 11 16.792 79.101 -3.596 1.00 22.36 C +ATOM 25 C VAL E 11 17.832 80.211 -3.454 1.00 22.29 C +ATOM 26 O VAL E 11 19.018 80.010 -3.734 1.00 22.23 O +ATOM 27 CB VAL E 11 17.034 78.011 -2.513 1.00 22.33 C +ATOM 28 CG1 VAL E 11 16.865 78.596 -1.116 1.00 22.23 C +ATOM 29 CG2 VAL E 11 16.078 76.839 -2.703 1.00 22.13 C +ATOM 30 N ALA E 12 17.371 81.379 -3.016 1.00 22.07 N +ATOM 31 CA ALA E 12 18.242 82.517 -2.769 1.00 22.02 C +ATOM 32 C ALA E 12 18.545 82.623 -1.276 1.00 22.02 C +ATOM 33 O ALA E 12 17.680 82.999 -0.480 1.00 22.00 O +ATOM 34 CB ALA E 12 17.604 83.804 -3.288 1.00 22.04 C +ATOM 35 N PHE E 13 19.772 82.269 -0.903 1.00 22.02 N +ATOM 36 CA PHE E 13 20.218 82.341 0.487 1.00 22.01 C +ATOM 37 C PHE E 13 20.825 83.710 0.761 1.00 22.17 C +ATOM 38 O PHE E 13 21.640 84.197 -0.025 1.00 22.27 O +ATOM 39 CB PHE E 13 21.248 81.253 0.780 1.00 21.86 C +ATOM 40 CG PHE E 13 20.704 79.856 0.690 1.00 21.59 C +ATOM 41 CD1 PHE E 13 20.102 79.259 1.793 1.00 21.29 C +ATOM 42 CD2 PHE E 13 20.815 79.127 -0.492 1.00 21.51 C +ATOM 43 CE1 PHE E 13 19.606 77.961 1.717 1.00 21.20 C +ATOM 44 CE2 PHE E 13 20.327 77.831 -0.576 1.00 21.34 C +ATOM 45 CZ PHE E 13 19.720 77.246 0.531 1.00 21.43 C +ATOM 46 N GLU E 14 20.439 84.316 1.882 1.00 22.22 N +ATOM 47 CA GLU E 14 20.888 85.667 2.228 1.00 22.36 C +ATOM 48 C GLU E 14 21.383 85.796 3.667 1.00 22.17 C +ATOM 49 O GLU E 14 20.828 85.184 4.581 1.00 22.05 O +ATOM 50 CB GLU E 14 19.766 86.682 1.971 1.00 22.34 C +ATOM 51 CG GLU E 14 19.351 86.794 0.506 1.00 22.66 C +ATOM 52 CD GLU E 14 18.131 87.671 0.277 1.00 22.94 C +ATOM 53 OE1 GLU E 14 17.735 88.435 1.189 1.00 23.41 O +ATOM 54 OE2 GLU E 14 17.568 87.595 -0.836 1.00 23.92 O +ATOM 55 N ILE E 15 22.434 86.594 3.849 1.00 22.13 N +ATOM 56 CA ILE E 15 22.995 86.882 5.171 1.00 22.13 C +ATOM 57 C ILE E 15 23.740 88.224 5.168 1.00 22.14 C +ATOM 58 O ILE E 15 24.175 88.700 4.114 1.00 22.14 O +ATOM 59 CB ILE E 15 23.904 85.722 5.697 1.00 22.08 C +ATOM 60 CG1 ILE E 15 23.994 85.757 7.230 1.00 22.20 C +ATOM 61 CG2 ILE E 15 25.285 85.733 5.013 1.00 22.24 C +ATOM 62 CD1 ILE E 15 24.572 84.509 7.860 1.00 22.13 C +ATOM 63 N ARG E 16 23.862 88.827 6.351 1.00 22.08 N +ATOM 64 CA ARG E 16 24.540 90.109 6.536 1.00 22.07 C +ATOM 65 C ARG E 16 25.675 89.956 7.542 1.00 21.95 C +ATOM 66 O ARG E 16 25.646 89.056 8.382 1.00 21.96 O +ATOM 67 CB ARG E 16 23.557 91.159 7.061 1.00 22.27 C +ATOM 68 CG ARG E 16 22.333 91.401 6.196 1.00 22.77 C +ATOM 69 CD ARG E 16 21.269 92.130 6.997 1.00 24.24 C +ATOM 70 NE ARG E 16 19.975 92.158 6.317 1.00 25.17 N +ATOM 71 CZ ARG E 16 19.099 91.155 6.318 1.00 25.40 C +ATOM 72 NH1 ARG E 16 19.371 90.018 6.949 1.00 25.60 N +ATOM 73 NH2 ARG E 16 17.948 91.286 5.673 1.00 25.46 N +ATOM 74 N GLY E 17 26.665 90.842 7.464 1.00 21.83 N +ATOM 75 CA GLY E 17 27.788 90.817 8.399 1.00 21.77 C +ATOM 76 C GLY E 17 28.982 91.661 7.993 1.00 21.78 C +ATOM 77 O GLY E 17 29.075 92.121 6.851 1.00 21.60 O +ATOM 78 N THR E 18 29.890 91.863 8.947 1.00 21.83 N +ATOM 79 CA THR E 18 31.113 92.640 8.740 1.00 21.75 C +ATOM 80 C THR E 18 32.194 91.748 8.133 1.00 21.46 C +ATOM 81 O THR E 18 32.319 90.575 8.500 1.00 21.50 O +ATOM 82 CB THR E 18 31.624 93.251 10.069 1.00 21.77 C +ATOM 83 OG1 THR E 18 30.548 93.921 10.734 1.00 22.24 O +ATOM 84 CG2 THR E 18 32.759 94.249 9.822 1.00 22.06 C +ATOM 85 N LEU E 19 32.968 92.310 7.206 1.00 21.14 N +ATOM 86 CA LEU E 19 34.021 91.568 6.513 1.00 20.85 C +ATOM 87 C LEU E 19 35.311 92.372 6.354 1.00 20.54 C +ATOM 88 O LEU E 19 35.291 93.601 6.334 1.00 20.36 O +ATOM 89 CB LEU E 19 33.525 91.101 5.135 1.00 20.80 C +ATOM 90 CG LEU E 19 32.449 90.009 5.054 1.00 21.10 C +ATOM 91 CD1 LEU E 19 31.851 89.939 3.664 1.00 20.93 C +ATOM 92 CD2 LEU E 19 32.997 88.653 5.451 1.00 21.38 C +ATOM 93 N LEU E 20 36.428 91.658 6.243 1.00 20.18 N +ATOM 94 CA LEU E 20 37.733 92.263 5.993 1.00 19.98 C +ATOM 95 C LEU E 20 37.861 92.608 4.503 1.00 19.82 C +ATOM 96 O LEU E 20 37.045 92.153 3.699 1.00 19.73 O +ATOM 97 CB LEU E 20 38.848 91.302 6.417 1.00 19.98 C +ATOM 98 CG LEU E 20 39.064 91.045 7.911 1.00 20.03 C +ATOM 99 CD1 LEU E 20 39.811 89.735 8.128 1.00 19.76 C +ATOM 100 CD2 LEU E 20 39.785 92.211 8.593 1.00 20.43 C +ATOM 101 N PRO E 21 38.859 93.443 4.129 1.00 19.79 N +ATOM 102 CA PRO E 21 39.054 93.736 2.704 1.00 19.53 C +ATOM 103 C PRO E 21 39.190 92.467 1.858 1.00 19.30 C +ATOM 104 O PRO E 21 39.995 91.588 2.177 1.00 19.40 O +ATOM 105 CB PRO E 21 40.360 94.539 2.686 1.00 19.58 C +ATOM 106 CG PRO E 21 40.417 95.187 4.022 1.00 19.60 C +ATOM 107 CD PRO E 21 39.820 94.183 4.973 1.00 19.70 C +ATOM 108 N GLY E 22 38.376 92.371 0.809 1.00 18.95 N +ATOM 109 CA GLY E 22 38.407 91.236 -0.109 1.00 18.55 C +ATOM 110 C GLY E 22 37.729 89.960 0.368 1.00 18.28 C +ATOM 111 O GLY E 22 37.573 89.010 -0.406 1.00 18.21 O +ATOM 112 N GLU E 23 37.328 89.935 1.638 1.00 18.18 N +ATOM 113 CA GLU E 23 36.665 88.776 2.232 1.00 17.97 C +ATOM 114 C GLU E 23 35.199 88.715 1.802 1.00 18.07 C +ATOM 115 O GLU E 23 34.567 89.747 1.570 1.00 18.01 O +ATOM 116 CB GLU E 23 36.772 88.834 3.763 1.00 18.09 C +ATOM 117 CG GLU E 23 36.488 87.518 4.476 1.00 17.13 C +ATOM 118 CD GLU E 23 36.643 87.608 5.984 1.00 17.89 C +ATOM 119 OE1 GLU E 23 36.551 88.723 6.549 1.00 17.08 O +ATOM 120 OE2 GLU E 23 36.851 86.550 6.608 1.00 17.99 O +ATOM 121 N VAL E 24 34.674 87.499 1.680 1.00 18.24 N +ATOM 122 CA VAL E 24 33.284 87.284 1.285 1.00 18.21 C +ATOM 123 C VAL E 24 32.622 86.255 2.201 1.00 18.61 C +ATOM 124 O VAL E 24 33.306 85.560 2.961 1.00 18.40 O +ATOM 125 CB VAL E 24 33.162 86.803 -0.194 1.00 18.19 C +ATOM 126 CG1 VAL E 24 33.843 87.777 -1.143 1.00 17.87 C +ATOM 127 CG2 VAL E 24 33.724 85.383 -0.375 1.00 17.19 C +ATOM 128 N PHE E 25 31.294 86.182 2.137 1.00 18.89 N +ATOM 129 CA PHE E 25 30.548 85.117 2.801 1.00 19.03 C +ATOM 130 C PHE E 25 30.329 83.989 1.800 1.00 19.28 C +ATOM 131 O PHE E 25 30.238 84.229 0.589 1.00 19.14 O +ATOM 132 CB PHE E 25 29.201 85.607 3.339 1.00 18.94 C +ATOM 133 CG PHE E 25 29.311 86.516 4.530 1.00 18.95 C +ATOM 134 CD1 PHE E 25 29.872 86.063 5.722 1.00 18.71 C +ATOM 135 CD2 PHE E 25 28.831 87.822 4.470 1.00 18.81 C +ATOM 136 CE1 PHE E 25 29.974 86.907 6.831 1.00 18.68 C +ATOM 137 CE2 PHE E 25 28.918 88.669 5.575 1.00 18.79 C +ATOM 138 CZ PHE E 25 29.492 88.208 6.759 1.00 18.68 C +ATOM 139 N ALA E 26 30.249 82.760 2.301 1.00 19.52 N +ATOM 140 CA ALA E 26 30.036 81.605 1.441 1.00 19.67 C +ATOM 141 C ALA E 26 29.065 80.637 2.089 1.00 19.82 C +ATOM 142 O ALA E 26 28.907 80.627 3.315 1.00 20.07 O +ATOM 143 CB ALA E 26 31.363 80.906 1.129 1.00 19.63 C +ATOM 144 N ILE E 27 28.400 79.843 1.258 1.00 19.90 N +ATOM 145 CA ILE E 27 27.488 78.811 1.746 1.00 20.02 C +ATOM 146 C ILE E 27 28.029 77.432 1.381 1.00 19.96 C +ATOM 147 O ILE E 27 28.451 77.191 0.249 1.00 20.03 O +ATOM 148 CB ILE E 27 26.026 79.027 1.250 1.00 20.08 C +ATOM 149 CG1 ILE E 27 25.073 78.006 1.887 1.00 19.96 C +ATOM 150 CG2 ILE E 27 25.957 79.028 -0.278 1.00 19.87 C +ATOM 151 CD1 ILE E 27 23.611 78.304 1.656 1.00 19.79 C +ATOM 152 N CYS E 28 28.038 76.538 2.363 1.00 19.95 N +ATOM 153 CA CYS E 28 28.543 75.197 2.161 1.00 19.94 C +ATOM 154 C CYS E 28 27.625 74.214 2.894 1.00 19.95 C +ATOM 155 O CYS E 28 27.210 74.473 4.025 1.00 19.95 O +ATOM 156 CB CYS E 28 29.983 75.116 2.656 1.00 20.01 C +ATOM 157 SG CYS E 28 30.853 73.633 2.168 1.00 19.77 S +ATOM 158 N GLY E 29 27.292 73.101 2.245 1.00 19.92 N +ATOM 159 CA GLY E 29 26.319 72.165 2.813 1.00 20.22 C +ATOM 160 C GLY E 29 26.297 70.759 2.250 1.00 20.25 C +ATOM 161 O GLY E 29 27.187 70.366 1.495 1.00 20.55 O +ATOM 162 N SER E 30 25.240 70.028 2.596 1.00 20.40 N +ATOM 163 CA SER E 30 25.126 68.582 2.362 1.00 20.44 C +ATOM 164 C SER E 30 24.589 68.083 1.014 1.00 20.58 C +ATOM 165 O SER E 30 23.892 67.066 0.974 1.00 20.90 O +ATOM 166 CB SER E 30 24.280 67.957 3.476 1.00 20.27 C +ATOM 167 OG SER E 30 22.928 68.357 3.347 1.00 20.11 O +ATOM 168 N CYS E 31 24.893 68.780 -0.076 1.00 20.73 N +ATOM 169 CA CYS E 31 24.545 68.281 -1.416 1.00 20.77 C +ATOM 170 C CYS E 31 25.567 68.739 -2.461 1.00 20.55 C +ATOM 171 O CYS E 31 26.485 69.502 -2.138 1.00 20.34 O +ATOM 172 CB CYS E 31 23.101 68.639 -1.811 1.00 20.89 C +ATOM 173 SG CYS E 31 22.731 70.392 -1.939 1.00 22.12 S +ATOM 174 N ASP E 32 25.420 68.256 -3.696 1.00 20.33 N +ATOM 175 CA ASP E 32 26.320 68.620 -4.801 1.00 20.27 C +ATOM 176 C ASP E 32 26.398 70.127 -5.035 1.00 19.84 C +ATOM 177 O ASP E 32 27.483 70.665 -5.246 1.00 19.84 O +ATOM 178 CB ASP E 32 25.902 67.924 -6.106 1.00 20.38 C +ATOM 179 CG ASP E 32 26.187 66.429 -6.102 1.00 21.18 C +ATOM 180 OD1 ASP E 32 26.931 65.955 -5.216 1.00 21.79 O +ATOM 181 OD2 ASP E 32 25.673 65.726 -7.002 1.00 21.34 O +ATOM 182 N ALA E 33 25.242 70.791 -5.000 1.00 19.66 N +ATOM 183 CA ALA E 33 25.140 72.236 -5.226 1.00 19.22 C +ATOM 184 C ALA E 33 25.825 73.063 -4.135 1.00 19.08 C +ATOM 185 O ALA E 33 26.309 74.172 -4.394 1.00 19.04 O +ATOM 186 CB ALA E 33 23.681 72.642 -5.362 1.00 19.22 C +ATOM 187 N LEU E 34 25.860 72.523 -2.920 1.00 18.55 N +ATOM 188 CA LEU E 34 26.499 73.203 -1.794 1.00 18.26 C +ATOM 189 C LEU E 34 27.899 72.659 -1.493 1.00 18.05 C +ATOM 190 O LEU E 34 28.535 73.050 -0.509 1.00 18.23 O +ATOM 191 CB LEU E 34 25.589 73.179 -0.561 1.00 18.30 C +ATOM 192 CG LEU E 34 24.242 73.895 -0.708 1.00 18.56 C +ATOM 193 CD1 LEU E 34 23.460 73.843 0.598 1.00 18.70 C +ATOM 194 CD2 LEU E 34 24.427 75.346 -1.152 1.00 18.44 C +ATOM 195 N GLY E 35 28.364 71.757 -2.356 1.00 17.84 N +ATOM 196 CA GLY E 35 29.718 71.221 -2.299 1.00 17.64 C +ATOM 197 C GLY E 35 29.992 70.057 -1.372 1.00 17.70 C +ATOM 198 O GLY E 35 31.154 69.734 -1.133 1.00 17.48 O +ATOM 199 N ASN E 36 28.934 69.423 -0.856 1.00 17.71 N +ATOM 200 CA ASN E 36 29.056 68.288 0.068 1.00 17.56 C +ATOM 201 C ASN E 36 30.045 68.547 1.207 1.00 17.38 C +ATOM 202 O ASN E 36 30.959 67.753 1.437 1.00 17.17 O +ATOM 203 CB ASN E 36 29.431 67.005 -0.684 1.00 17.75 C +ATOM 204 CG ASN E 36 28.343 66.540 -1.626 1.00 18.38 C +ATOM 205 OD1 ASN E 36 28.534 66.515 -2.844 1.00 20.57 O +ATOM 206 ND2 ASN E 36 27.197 66.172 -1.072 1.00 18.44 N +ATOM 207 N TRP E 37 29.859 69.681 1.888 1.00 17.25 N +ATOM 208 CA TRP E 37 30.690 70.109 3.023 1.00 17.10 C +ATOM 209 C TRP E 37 32.177 70.363 2.714 1.00 17.17 C +ATOM 210 O TRP E 37 32.966 70.597 3.627 1.00 17.01 O +ATOM 211 CB TRP E 37 30.530 69.156 4.222 1.00 17.13 C +ATOM 212 CG TRP E 37 29.160 69.175 4.855 1.00 17.01 C +ATOM 213 CD1 TRP E 37 28.255 68.146 4.895 1.00 17.38 C +ATOM 214 CD2 TRP E 37 28.546 70.274 5.546 1.00 17.79 C +ATOM 215 NE1 TRP E 37 27.120 68.537 5.572 1.00 17.18 N +ATOM 216 CE2 TRP E 37 27.271 69.837 5.981 1.00 17.56 C +ATOM 217 CE3 TRP E 37 28.950 71.586 5.843 1.00 18.46 C +ATOM 218 CZ2 TRP E 37 26.395 70.668 6.691 1.00 17.71 C +ATOM 219 CZ3 TRP E 37 28.076 72.411 6.556 1.00 17.88 C +ATOM 220 CH2 TRP E 37 26.815 71.948 6.968 1.00 17.10 C +ATOM 221 N ASN E 38 32.545 70.322 1.432 1.00 17.02 N +ATOM 222 CA ASN E 38 33.898 70.629 0.982 1.00 17.08 C +ATOM 223 C ASN E 38 33.972 72.148 0.790 1.00 17.20 C +ATOM 224 O ASN E 38 33.335 72.685 -0.120 1.00 17.36 O +ATOM 225 CB ASN E 38 34.208 69.869 -0.328 1.00 17.27 C +ATOM 226 CG ASN E 38 35.630 70.123 -0.867 1.00 16.81 C +ATOM 227 OD1 ASN E 38 36.385 70.945 -0.347 1.00 16.24 O +ATOM 228 ND2 ASN E 38 35.991 69.393 -1.915 1.00 16.53 N +ATOM 229 N PRO E 39 34.708 72.852 1.676 1.00 17.09 N +ATOM 230 CA PRO E 39 34.819 74.306 1.553 1.00 17.49 C +ATOM 231 C PRO E 39 35.369 74.774 0.189 1.00 17.71 C +ATOM 232 O PRO E 39 35.038 75.872 -0.256 1.00 17.90 O +ATOM 233 CB PRO E 39 35.749 74.704 2.721 1.00 17.48 C +ATOM 234 CG PRO E 39 36.368 73.443 3.199 1.00 17.76 C +ATOM 235 CD PRO E 39 35.437 72.333 2.850 1.00 17.13 C +ATOM 236 N GLN E 40 36.175 73.935 -0.465 1.00 18.00 N +ATOM 237 CA GLN E 40 36.702 74.228 -1.800 1.00 18.41 C +ATOM 238 C GLN E 40 35.591 74.284 -2.847 1.00 18.74 C +ATOM 239 O GLN E 40 35.744 74.940 -3.876 1.00 19.14 O +ATOM 240 CB GLN E 40 37.786 73.214 -2.216 1.00 18.40 C +ATOM 241 CG GLN E 40 39.030 73.223 -1.316 1.00 17.84 C +ATOM 242 CD GLN E 40 39.646 74.615 -1.182 1.00 18.08 C +ATOM 243 OE1 GLN E 40 39.891 75.296 -2.176 1.00 17.31 O +ATOM 244 NE2 GLN E 40 39.883 75.045 0.058 1.00 16.83 N +ATOM 245 N ASN E 41 34.479 73.597 -2.578 1.00 18.67 N +ATOM 246 CA ASN E 41 33.325 73.595 -3.484 1.00 18.79 C +ATOM 247 C ASN E 41 32.151 74.439 -2.981 1.00 18.99 C +ATOM 248 O ASN E 41 31.027 74.318 -3.480 1.00 19.12 O +ATOM 249 CB ASN E 41 32.872 72.156 -3.783 1.00 18.79 C +ATOM 250 CG ASN E 41 33.870 71.387 -4.631 1.00 18.62 C +ATOM 251 OD1 ASN E 41 33.843 70.159 -4.666 1.00 20.15 O +ATOM 252 ND2 ASN E 41 34.743 72.101 -5.329 1.00 17.84 N +ATOM 253 N ALA E 42 32.421 75.299 -2.001 1.00 18.86 N +ATOM 254 CA ALA E 42 31.405 76.163 -1.440 1.00 19.17 C +ATOM 255 C ALA E 42 31.011 77.227 -2.457 1.00 19.58 C +ATOM 256 O ALA E 42 31.730 77.472 -3.430 1.00 19.48 O +ATOM 257 CB ALA E 42 31.901 76.799 -0.151 1.00 19.19 C +ATOM 258 N VAL E 43 29.862 77.852 -2.234 1.00 19.90 N +ATOM 259 CA VAL E 43 29.361 78.870 -3.143 1.00 20.12 C +ATOM 260 C VAL E 43 29.516 80.243 -2.499 1.00 20.53 C +ATOM 261 O VAL E 43 28.981 80.494 -1.419 1.00 20.32 O +ATOM 262 CB VAL E 43 27.881 78.607 -3.527 1.00 20.29 C +ATOM 263 CG1 VAL E 43 27.375 79.656 -4.518 1.00 20.14 C +ATOM 264 CG2 VAL E 43 27.716 77.211 -4.102 1.00 19.34 C +ATOM 265 N ALA E 44 30.272 81.120 -3.156 1.00 20.88 N +ATOM 266 CA ALA E 44 30.449 82.486 -2.672 1.00 21.40 C +ATOM 267 C ALA E 44 29.177 83.295 -2.879 1.00 21.94 C +ATOM 268 O ALA E 44 28.565 83.243 -3.951 1.00 21.80 O +ATOM 269 CB ALA E 44 31.616 83.168 -3.384 1.00 21.33 C +ATOM 270 N LEU E 45 28.783 84.034 -1.846 1.00 22.47 N +ATOM 271 CA LEU E 45 27.662 84.952 -1.950 1.00 23.49 C +ATOM 272 C LEU E 45 28.146 86.216 -2.660 1.00 24.03 C +ATOM 273 O LEU E 45 29.344 86.511 -2.667 1.00 23.91 O +ATOM 274 CB LEU E 45 27.081 85.277 -0.566 1.00 23.44 C +ATOM 275 CG LEU E 45 26.132 84.269 0.107 1.00 23.37 C +ATOM 276 CD1 LEU E 45 26.740 82.885 0.286 1.00 23.21 C +ATOM 277 CD2 LEU E 45 25.659 84.798 1.450 1.00 23.35 C +ATOM 278 N LEU E 46 27.216 86.940 -3.274 1.00 24.95 N +ATOM 279 CA LEU E 46 27.539 88.167 -3.996 1.00 25.81 C +ATOM 280 C LEU E 46 27.025 89.384 -3.237 1.00 26.33 C +ATOM 281 O LEU E 46 25.968 89.309 -2.607 1.00 26.37 O +ATOM 282 CB LEU E 46 26.921 88.150 -5.402 1.00 25.92 C +ATOM 283 CG LEU E 46 27.041 86.918 -6.309 1.00 26.40 C +ATOM 284 CD1 LEU E 46 26.421 87.221 -7.669 1.00 26.76 C +ATOM 285 CD2 LEU E 46 28.484 86.447 -6.474 1.00 27.46 C +ATOM 286 N PRO E 47 27.771 90.510 -3.287 1.00 26.90 N +ATOM 287 CA PRO E 47 27.287 91.747 -2.673 1.00 27.35 C +ATOM 288 C PRO E 47 26.084 92.289 -3.446 1.00 27.83 C +ATOM 289 O PRO E 47 26.164 92.479 -4.665 1.00 27.91 O +ATOM 290 CB PRO E 47 28.478 92.710 -2.807 1.00 27.31 C +ATOM 291 CG PRO E 47 29.647 91.870 -3.182 1.00 27.12 C +ATOM 292 CD PRO E 47 29.098 90.688 -3.905 1.00 26.87 C +ATOM 293 N GLU E 48 24.980 92.517 -2.740 1.00 28.30 N +ATOM 294 CA GLU E 48 23.749 93.009 -3.358 1.00 28.98 C +ATOM 295 C GLU E 48 23.080 94.057 -2.464 1.00 29.11 C +ATOM 296 O GLU E 48 23.106 93.947 -1.236 1.00 29.16 O +ATOM 297 CB GLU E 48 22.812 91.829 -3.663 1.00 29.06 C +ATOM 298 CG GLU E 48 21.587 92.152 -4.532 1.00 29.70 C +ATOM 299 CD GLU E 48 20.368 92.578 -3.725 1.00 30.49 C +ATOM 300 OE1 GLU E 48 19.620 93.463 -4.195 1.00 30.74 O +ATOM 301 OE2 GLU E 48 20.154 92.028 -2.622 1.00 30.88 O +ATOM 302 N ASN E 49 22.494 95.078 -3.086 1.00 29.48 N +ATOM 303 CA ASN E 49 21.830 96.153 -2.346 1.00 29.66 C +ATOM 304 C ASN E 49 20.314 95.973 -2.237 1.00 29.78 C +ATOM 305 O ASN E 49 19.556 96.361 -3.129 1.00 29.98 O +ATOM 306 CB ASN E 49 22.181 97.531 -2.933 1.00 29.73 C +ATOM 307 CG ASN E 49 23.613 97.963 -2.623 1.00 29.82 C +ATOM 308 OD1 ASN E 49 23.841 99.082 -2.163 1.00 30.01 O +ATOM 309 ND2 ASN E 49 24.578 97.081 -2.870 1.00 29.77 N +ATOM 310 N SER E 54 25.664 94.462 8.325 1.00 40.11 N +ATOM 311 CA SER E 54 26.346 95.574 7.669 1.00 40.16 C +ATOM 312 C SER E 54 25.840 95.771 6.237 1.00 40.17 C +ATOM 313 O SER E 54 25.311 96.835 5.897 1.00 40.25 O +ATOM 314 CB SER E 54 27.866 95.356 7.684 1.00 40.11 C +ATOM 315 OG SER E 54 28.556 96.441 7.087 1.00 40.01 O +ATOM 324 N LEU E 56 24.072 93.384 2.689 1.00 37.64 N +ATOM 325 CA LEU E 56 23.394 92.154 2.284 1.00 36.38 C +ATOM 326 C LEU E 56 24.188 91.369 1.238 1.00 35.56 C +ATOM 327 O LEU E 56 24.654 91.926 0.240 1.00 35.43 O +ATOM 328 CB LEU E 56 21.979 92.456 1.769 1.00 36.40 C +ATOM 329 CG LEU E 56 21.032 91.290 1.447 1.00 36.12 C +ATOM 330 CD1 LEU E 56 20.642 90.508 2.698 1.00 35.71 C +ATOM 331 CD2 LEU E 56 19.789 91.803 0.741 1.00 36.33 C +ATOM 332 N TRP E 57 24.335 90.071 1.490 1.00 34.46 N +ATOM 333 CA TRP E 57 25.007 89.151 0.577 1.00 33.43 C +ATOM 334 C TRP E 57 24.027 88.060 0.157 1.00 32.82 C +ATOM 335 O TRP E 57 23.237 87.585 0.977 1.00 32.69 O +ATOM 336 CB TRP E 57 26.242 88.540 1.243 1.00 33.22 C +ATOM 337 CG TRP E 57 27.370 89.513 1.405 1.00 33.09 C +ATOM 338 CD1 TRP E 57 27.432 90.558 2.281 1.00 32.95 C +ATOM 339 CD2 TRP E 57 28.602 89.529 0.674 1.00 32.78 C +ATOM 340 NE1 TRP E 57 28.622 91.228 2.138 1.00 33.00 N +ATOM 341 CE2 TRP E 57 29.361 90.618 1.159 1.00 32.74 C +ATOM 342 CE3 TRP E 57 29.139 88.731 -0.344 1.00 32.45 C +ATOM 343 CZ2 TRP E 57 30.629 90.933 0.658 1.00 32.70 C +ATOM 344 CZ3 TRP E 57 30.400 89.043 -0.841 1.00 32.78 C +ATOM 345 CH2 TRP E 57 31.132 90.133 -0.336 1.00 32.88 C +ATOM 346 N LYS E 58 24.071 87.673 -1.117 1.00 31.94 N +ATOM 347 CA LYS E 58 23.144 86.665 -1.634 1.00 31.19 C +ATOM 348 C LYS E 58 23.735 85.698 -2.665 1.00 30.67 C +ATOM 349 O LYS E 58 24.649 86.040 -3.419 1.00 30.40 O +ATOM 350 CB LYS E 58 21.871 87.324 -2.194 1.00 31.18 C +ATOM 351 CG LYS E 58 22.083 88.204 -3.419 1.00 31.32 C +ATOM 352 N ALA E 59 23.184 84.488 -2.682 1.00 30.09 N +ATOM 353 CA ALA E 59 23.558 83.461 -3.642 1.00 29.59 C +ATOM 354 C ALA E 59 22.308 82.690 -4.059 1.00 29.19 C +ATOM 355 O ALA E 59 21.579 82.174 -3.207 1.00 29.15 O +ATOM 356 CB ALA E 59 24.598 82.519 -3.041 1.00 29.59 C +ATOM 357 N THR E 60 22.053 82.638 -5.364 1.00 28.63 N +ATOM 358 CA THR E 60 20.916 81.887 -5.898 1.00 28.20 C +ATOM 359 C THR E 60 21.398 80.518 -6.372 1.00 27.90 C +ATOM 360 O THR E 60 22.222 80.416 -7.286 1.00 27.86 O +ATOM 361 CB THR E 60 20.199 82.645 -7.030 1.00 28.16 C +ATOM 362 OG1 THR E 60 19.803 83.939 -6.557 1.00 28.12 O +ATOM 363 CG2 THR E 60 18.965 81.880 -7.491 1.00 28.19 C +ATOM 364 N ILE E 61 20.870 79.474 -5.737 1.00 27.46 N +ATOM 365 CA ILE E 61 21.308 78.100 -5.968 1.00 27.12 C +ATOM 366 C ILE E 61 20.133 77.163 -6.233 1.00 26.85 C +ATOM 367 O ILE E 61 19.126 77.202 -5.527 1.00 26.77 O +ATOM 368 CB ILE E 61 22.116 77.595 -4.749 1.00 27.12 C +ATOM 369 CG1 ILE E 61 23.378 78.448 -4.569 1.00 27.19 C +ATOM 370 CG2 ILE E 61 22.470 76.118 -4.893 1.00 27.11 C +ATOM 371 CD1 ILE E 61 23.965 78.410 -3.179 1.00 28.03 C +ATOM 372 N VAL E 62 20.278 76.319 -7.252 1.00 26.54 N +ATOM 373 CA VAL E 62 19.253 75.340 -7.608 1.00 26.30 C +ATOM 374 C VAL E 62 19.418 74.071 -6.766 1.00 26.22 C +ATOM 375 O VAL E 62 20.457 73.407 -6.817 1.00 26.16 O +ATOM 376 CB VAL E 62 19.287 74.995 -9.121 1.00 26.22 C +ATOM 377 CG1 VAL E 62 18.132 74.071 -9.493 1.00 26.12 C +ATOM 378 CG2 VAL E 62 19.238 76.264 -9.961 1.00 26.15 C +ATOM 379 N LEU E 63 18.390 73.753 -5.985 1.00 26.26 N +ATOM 380 CA LEU E 63 18.390 72.563 -5.133 1.00 26.29 C +ATOM 381 C LEU E 63 17.333 71.561 -5.601 1.00 26.31 C +ATOM 382 O LEU E 63 16.522 71.870 -6.479 1.00 26.28 O +ATOM 383 CB LEU E 63 18.156 72.945 -3.665 1.00 26.35 C +ATOM 384 CG LEU E 63 19.115 73.928 -2.975 1.00 26.36 C +ATOM 385 CD1 LEU E 63 18.639 74.227 -1.558 1.00 26.55 C +ATOM 386 CD2 LEU E 63 20.548 73.419 -2.954 1.00 26.23 C +ATOM 387 N SER E 64 17.351 70.363 -5.018 1.00 26.36 N +ATOM 388 CA SER E 64 16.388 69.316 -5.369 1.00 26.30 C +ATOM 389 C SER E 64 15.096 69.435 -4.567 1.00 26.26 C +ATOM 390 O SER E 64 15.123 69.713 -3.367 1.00 26.22 O +ATOM 391 CB SER E 64 16.997 67.923 -5.180 1.00 26.37 C +ATOM 392 OG SER E 64 18.123 67.734 -6.022 1.00 26.58 O +ATOM 393 N ARG E 65 13.976 69.212 -5.251 1.00 26.14 N +ATOM 394 CA ARG E 65 12.635 69.261 -4.664 1.00 26.08 C +ATOM 395 C ARG E 65 12.377 68.199 -3.593 1.00 25.89 C +ATOM 396 O ARG E 65 12.556 67.003 -3.835 1.00 25.93 O +ATOM 397 CB ARG E 65 11.586 69.119 -5.773 1.00 26.20 C +ATOM 398 CG ARG E 65 11.079 70.423 -6.369 1.00 26.36 C +ATOM 399 CD ARG E 65 9.878 70.928 -5.589 1.00 26.67 C +ATOM 400 NE ARG E 65 9.144 71.962 -6.312 1.00 26.89 N +ATOM 401 CZ ARG E 65 7.910 72.358 -6.010 1.00 26.91 C +ATOM 402 NH1 ARG E 65 7.252 71.799 -5.001 1.00 26.97 N +ATOM 403 NH2 ARG E 65 7.326 73.309 -6.727 1.00 26.88 N +ATOM 404 N GLY E 66 11.951 68.654 -2.416 1.00 25.65 N +ATOM 405 CA GLY E 66 11.579 67.770 -1.309 1.00 25.41 C +ATOM 406 C GLY E 66 12.714 67.064 -0.591 1.00 25.21 C +ATOM 407 O GLY E 66 12.474 66.165 0.218 1.00 25.18 O +ATOM 408 N VAL E 67 13.948 67.475 -0.879 1.00 25.05 N +ATOM 409 CA VAL E 67 15.131 66.870 -0.273 1.00 24.84 C +ATOM 410 C VAL E 67 15.674 67.750 0.856 1.00 24.70 C +ATOM 411 O VAL E 67 15.930 68.942 0.661 1.00 24.72 O +ATOM 412 CB VAL E 67 16.231 66.582 -1.337 1.00 24.94 C +ATOM 413 CG1 VAL E 67 17.511 66.051 -0.688 1.00 24.79 C +ATOM 414 CG2 VAL E 67 15.718 65.597 -2.386 1.00 24.92 C +ATOM 415 N SER E 68 15.832 67.151 2.036 1.00 24.54 N +ATOM 416 CA SER E 68 16.372 67.844 3.202 1.00 24.25 C +ATOM 417 C SER E 68 17.860 68.117 3.021 1.00 24.09 C +ATOM 418 O SER E 68 18.638 67.211 2.708 1.00 24.05 O +ATOM 419 CB SER E 68 16.131 67.035 4.477 1.00 24.28 C +ATOM 420 OG SER E 68 16.681 67.695 5.605 1.00 24.29 O +ATOM 421 N VAL E 69 18.239 69.377 3.214 1.00 23.91 N +ATOM 422 CA VAL E 69 19.618 69.824 3.033 1.00 23.49 C +ATOM 423 C VAL E 69 20.094 70.607 4.258 1.00 23.34 C +ATOM 424 O VAL E 69 19.411 71.523 4.715 1.00 23.41 O +ATOM 425 CB VAL E 69 19.765 70.693 1.744 1.00 23.51 C +ATOM 426 CG1 VAL E 69 21.111 71.398 1.701 1.00 23.59 C +ATOM 427 CG2 VAL E 69 19.576 69.849 0.485 1.00 23.51 C +ATOM 428 N GLN E 70 21.253 70.225 4.793 1.00 23.21 N +ATOM 429 CA GLN E 70 21.881 70.951 5.902 1.00 23.13 C +ATOM 430 C GLN E 70 22.985 71.851 5.345 1.00 22.99 C +ATOM 431 O GLN E 70 23.653 71.491 4.375 1.00 22.82 O +ATOM 432 CB GLN E 70 22.451 70.002 6.966 1.00 23.14 C +ATOM 433 CG GLN E 70 21.423 69.104 7.660 1.00 23.93 C +ATOM 434 CD GLN E 70 21.072 67.863 6.852 1.00 24.97 C +ATOM 435 OE1 GLN E 70 21.952 67.175 6.327 1.00 25.66 O +ATOM 436 NE2 GLN E 70 19.780 67.563 6.762 1.00 25.54 N +ATOM 437 N TYR E 71 23.173 73.018 5.956 1.00 22.88 N +ATOM 438 CA TYR E 71 24.160 73.988 5.477 1.00 22.71 C +ATOM 439 C TYR E 71 24.634 74.942 6.570 1.00 22.63 C +ATOM 440 O TYR E 71 23.978 75.100 7.596 1.00 22.60 O +ATOM 441 CB TYR E 71 23.593 74.795 4.296 1.00 22.64 C +ATOM 442 CG TYR E 71 22.443 75.717 4.656 1.00 22.68 C +ATOM 443 CD1 TYR E 71 22.666 77.066 4.931 1.00 22.75 C +ATOM 444 CD2 TYR E 71 21.132 75.240 4.718 1.00 22.52 C +ATOM 445 CE1 TYR E 71 21.615 77.915 5.262 1.00 22.68 C +ATOM 446 CE2 TYR E 71 20.074 76.082 5.051 1.00 22.65 C +ATOM 447 CZ TYR E 71 20.322 77.417 5.320 1.00 22.57 C +ATOM 448 OH TYR E 71 19.280 78.253 5.647 1.00 22.30 O +ATOM 449 N ARG E 72 25.783 75.567 6.329 1.00 22.42 N +ATOM 450 CA ARG E 72 26.340 76.590 7.205 1.00 22.36 C +ATOM 451 C ARG E 72 27.018 77.644 6.342 1.00 21.82 C +ATOM 452 O ARG E 72 27.368 77.387 5.185 1.00 21.44 O +ATOM 453 CB ARG E 72 27.367 76.009 8.184 1.00 22.35 C +ATOM 454 CG ARG E 72 26.809 75.124 9.295 1.00 22.95 C +ATOM 455 CD ARG E 72 27.881 74.808 10.341 1.00 23.86 C +ATOM 456 NE ARG E 72 29.064 74.185 9.739 1.00 27.85 N +ATOM 457 CZ ARG E 72 30.233 74.007 10.354 1.00 28.94 C +ATOM 458 NH1 ARG E 72 30.411 74.410 11.609 1.00 29.25 N +ATOM 459 NH2 ARG E 72 31.235 73.428 9.702 1.00 28.99 N +ATOM 460 N TYR E 73 27.192 78.833 6.907 1.00 21.43 N +ATOM 461 CA TYR E 73 27.889 79.904 6.222 1.00 21.01 C +ATOM 462 C TYR E 73 29.277 80.051 6.803 1.00 20.88 C +ATOM 463 O TYR E 73 29.486 79.810 7.996 1.00 20.88 O +ATOM 464 CB TYR E 73 27.162 81.241 6.401 1.00 20.81 C +ATOM 465 CG TYR E 73 25.798 81.341 5.758 1.00 20.54 C +ATOM 466 CD1 TYR E 73 25.663 81.658 4.406 1.00 19.51 C +ATOM 467 CD2 TYR E 73 24.640 81.152 6.511 1.00 20.30 C +ATOM 468 CE1 TYR E 73 24.413 81.765 3.814 1.00 19.61 C +ATOM 469 CE2 TYR E 73 23.384 81.257 5.929 1.00 20.26 C +ATOM 470 CZ TYR E 73 23.276 81.565 4.581 1.00 20.19 C +ATOM 471 OH TYR E 73 22.030 81.674 4.007 1.00 20.16 O +ATOM 472 N PHE E 74 30.228 80.429 5.954 1.00 20.57 N +ATOM 473 CA PHE E 74 31.534 80.842 6.443 1.00 20.33 C +ATOM 474 C PHE E 74 31.972 82.128 5.767 1.00 20.13 C +ATOM 475 O PHE E 74 31.387 82.556 4.767 1.00 20.24 O +ATOM 476 CB PHE E 74 32.613 79.734 6.363 1.00 20.12 C +ATOM 477 CG PHE E 74 33.030 79.338 4.961 1.00 20.39 C +ATOM 478 CD1 PHE E 74 33.966 80.092 4.249 1.00 19.96 C +ATOM 479 CD2 PHE E 74 32.539 78.175 4.387 1.00 20.28 C +ATOM 480 CE1 PHE E 74 34.373 79.712 2.968 1.00 20.74 C +ATOM 481 CE2 PHE E 74 32.940 77.781 3.110 1.00 20.14 C +ATOM 482 CZ PHE E 74 33.859 78.553 2.397 1.00 20.51 C +ATOM 483 N LYS E 75 32.962 82.777 6.359 1.00 19.78 N +ATOM 484 CA LYS E 75 33.588 83.903 5.708 1.00 19.40 C +ATOM 485 C LYS E 75 35.003 83.487 5.344 1.00 19.06 C +ATOM 486 O LYS E 75 35.684 82.803 6.109 1.00 18.92 O +ATOM 487 CB LYS E 75 33.535 85.180 6.557 1.00 19.22 C +ATOM 488 CG LYS E 75 34.122 85.089 7.947 1.00 19.21 C +ATOM 489 CD LYS E 75 33.827 86.377 8.705 1.00 19.02 C +ATOM 490 CE LYS E 75 34.315 86.316 10.139 1.00 19.58 C +ATOM 491 NZ LYS E 75 33.972 87.562 10.881 1.00 19.93 N +ATOM 492 N GLY E 76 35.423 83.869 4.150 1.00 18.90 N +ATOM 493 CA GLY E 76 36.752 83.526 3.681 1.00 18.97 C +ATOM 494 C GLY E 76 37.102 84.209 2.386 1.00 18.90 C +ATOM 495 O GLY E 76 36.512 85.227 2.029 1.00 19.26 O +ATOM 496 N TYR E 77 38.062 83.628 1.675 1.00 18.95 N +ATOM 497 CA TYR E 77 38.581 84.211 0.447 1.00 18.70 C +ATOM 498 C TYR E 77 38.509 83.224 -0.699 1.00 18.71 C +ATOM 499 O TYR E 77 38.889 82.059 -0.553 1.00 18.55 O +ATOM 500 CB TYR E 77 40.031 84.675 0.654 1.00 18.66 C +ATOM 501 CG TYR E 77 40.174 85.640 1.805 1.00 18.41 C +ATOM 502 CD1 TYR E 77 40.039 87.010 1.607 1.00 18.40 C +ATOM 503 CD2 TYR E 77 40.414 85.179 3.101 1.00 18.38 C +ATOM 504 CE1 TYR E 77 40.154 87.900 2.659 1.00 18.40 C +ATOM 505 CE2 TYR E 77 40.526 86.065 4.170 1.00 19.14 C +ATOM 506 CZ TYR E 77 40.395 87.422 3.941 1.00 18.70 C +ATOM 507 OH TYR E 77 40.506 88.305 4.991 1.00 19.33 O +ATOM 508 N PHE E 78 38.001 83.705 -1.831 1.00 18.83 N +ATOM 509 CA PHE E 78 37.935 82.932 -3.066 1.00 18.83 C +ATOM 510 C PHE E 78 39.016 83.461 -4.003 1.00 19.12 C +ATOM 511 O PHE E 78 38.916 84.564 -4.543 1.00 18.59 O +ATOM 512 CB PHE E 78 36.530 83.007 -3.685 1.00 18.92 C +ATOM 513 CG PHE E 78 35.522 82.114 -3.006 1.00 19.03 C +ATOM 514 CD1 PHE E 78 34.949 81.050 -3.692 1.00 19.70 C +ATOM 515 CD2 PHE E 78 35.169 82.323 -1.668 1.00 19.55 C +ATOM 516 CE1 PHE E 78 34.029 80.212 -3.069 1.00 20.00 C +ATOM 517 CE2 PHE E 78 34.255 81.492 -1.031 1.00 19.66 C +ATOM 518 CZ PHE E 78 33.683 80.427 -1.735 1.00 19.42 C +ATOM 519 N LEU E 79 40.059 82.661 -4.180 1.00 19.39 N +ATOM 520 CA LEU E 79 41.241 83.101 -4.901 1.00 19.76 C +ATOM 521 C LEU E 79 41.246 82.729 -6.370 1.00 20.24 C +ATOM 522 O LEU E 79 40.740 81.681 -6.760 1.00 20.08 O +ATOM 523 CB LEU E 79 42.502 82.547 -4.234 1.00 19.78 C +ATOM 524 CG LEU E 79 42.625 82.672 -2.706 1.00 20.65 C +ATOM 525 CD1 LEU E 79 43.891 81.992 -2.252 1.00 21.10 C +ATOM 526 CD2 LEU E 79 42.587 84.102 -2.217 1.00 21.89 C +ATOM 527 N GLU E 80 41.830 83.609 -7.175 1.00 20.44 N +ATOM 528 CA GLU E 80 42.039 83.365 -8.592 1.00 21.77 C +ATOM 529 C GLU E 80 42.960 82.139 -8.724 1.00 21.77 C +ATOM 530 O GLU E 80 43.781 81.890 -7.838 1.00 21.20 O +ATOM 531 CB GLU E 80 42.690 84.606 -9.220 1.00 21.53 C +ATOM 532 CG GLU E 80 42.501 84.761 -10.719 1.00 25.22 C +ATOM 533 CD GLU E 80 41.075 85.122 -11.115 1.00 27.79 C +ATOM 534 OE1 GLU E 80 40.512 86.080 -10.541 1.00 28.97 O +ATOM 535 OE2 GLU E 80 40.530 84.459 -12.024 1.00 29.47 O +ATOM 536 N PRO E 81 42.800 81.346 -9.805 1.00 22.38 N +ATOM 537 CA PRO E 81 43.690 80.208 -10.053 1.00 22.88 C +ATOM 538 C PRO E 81 45.166 80.607 -9.990 1.00 23.39 C +ATOM 539 O PRO E 81 45.551 81.648 -10.533 1.00 23.12 O +ATOM 540 CB PRO E 81 43.340 79.798 -11.490 1.00 22.75 C +ATOM 541 CG PRO E 81 41.944 80.226 -11.674 1.00 22.92 C +ATOM 542 CD PRO E 81 41.749 81.453 -10.836 1.00 22.46 C +ATOM 543 N LYS E 82 45.969 79.772 -9.336 1.00 24.23 N +ATOM 544 CA LYS E 82 47.404 80.002 -9.173 1.00 25.15 C +ATOM 545 C LYS E 82 48.115 79.765 -10.503 1.00 25.30 C +ATOM 546 O LYS E 82 49.046 80.489 -10.863 1.00 24.94 O +ATOM 547 CB LYS E 82 47.951 79.082 -8.078 1.00 25.32 C +ATOM 548 CG LYS E 82 49.377 79.363 -7.640 1.00 26.02 C +ATOM 549 CD LYS E 82 49.874 78.305 -6.652 1.00 26.28 C +ATOM 550 CE LYS E 82 49.224 78.440 -5.279 1.00 28.67 C +ATOM 551 NZ LYS E 82 49.589 77.298 -4.385 1.00 30.06 N +ATOM 552 N THR E 83 47.663 78.738 -11.218 1.00 25.62 N +ATOM 553 CA THR E 83 48.132 78.447 -12.562 1.00 26.56 C +ATOM 554 C THR E 83 46.905 78.605 -13.453 1.00 26.43 C +ATOM 555 O THR E 83 45.800 78.213 -13.071 1.00 26.62 O +ATOM 556 CB THR E 83 48.703 77.016 -12.686 1.00 26.58 C +ATOM 557 OG1 THR E 83 49.382 76.652 -11.476 1.00 27.70 O +ATOM 558 CG2 THR E 83 49.674 76.935 -13.852 1.00 27.29 C +ATOM 559 N ILE E 84 47.095 79.190 -14.628 1.00 26.42 N +ATOM 560 CA ILE E 84 45.968 79.518 -15.505 1.00 26.44 C +ATOM 561 C ILE E 84 45.065 78.313 -15.823 1.00 26.22 C +ATOM 562 O ILE E 84 45.534 77.244 -16.226 1.00 26.38 O +ATOM 563 CB ILE E 84 46.413 80.340 -16.761 1.00 26.52 C +ATOM 564 CG1 ILE E 84 47.341 79.540 -17.678 1.00 26.94 C +ATOM 565 CG2 ILE E 84 47.100 81.642 -16.341 1.00 26.55 C +ATOM 566 CD1 ILE E 84 46.641 78.938 -18.861 1.00 27.68 C +ATOM 567 N GLY E 85 43.769 78.501 -15.595 1.00 25.91 N +ATOM 568 CA GLY E 85 42.782 77.450 -15.792 1.00 25.78 C +ATOM 569 C GLY E 85 42.558 76.582 -14.566 1.00 25.76 C +ATOM 570 O GLY E 85 41.631 75.771 -14.541 1.00 25.72 O +ATOM 571 N GLY E 86 43.398 76.760 -13.545 1.00 25.54 N +ATOM 572 CA GLY E 86 43.293 75.996 -12.300 1.00 25.60 C +ATOM 573 C GLY E 86 42.018 76.286 -11.526 1.00 25.67 C +ATOM 574 O GLY E 86 41.253 77.174 -11.897 1.00 25.61 O +ATOM 575 N PRO E 87 41.765 75.531 -10.443 1.00 25.94 N +ATOM 576 CA PRO E 87 40.556 75.804 -9.674 1.00 25.92 C +ATOM 577 C PRO E 87 40.737 77.027 -8.781 1.00 25.75 C +ATOM 578 O PRO E 87 41.870 77.400 -8.470 1.00 25.64 O +ATOM 579 CB PRO E 87 40.408 74.553 -8.812 1.00 26.15 C +ATOM 580 CG PRO E 87 41.811 74.099 -8.593 1.00 26.09 C +ATOM 581 CD PRO E 87 42.545 74.415 -9.875 1.00 26.09 C +ATOM 582 N CYS E 88 39.629 77.661 -8.412 1.00 26.22 N +ATOM 583 CA CYS E 88 39.652 78.738 -7.433 1.00 25.92 C +ATOM 584 C CYS E 88 39.945 78.092 -6.082 1.00 25.15 C +ATOM 585 O CYS E 88 39.270 77.140 -5.685 1.00 25.26 O +ATOM 586 CB CYS E 88 38.302 79.467 -7.399 1.00 26.23 C +ATOM 587 SG CYS E 88 38.005 80.504 -5.936 1.00 29.42 S +ATOM 588 N GLN E 89 40.976 78.577 -5.399 1.00 24.09 N +ATOM 589 CA GLN E 89 41.283 78.076 -4.071 1.00 22.99 C +ATOM 590 C GLN E 89 40.470 78.857 -3.037 1.00 22.20 C +ATOM 591 O GLN E 89 40.372 80.086 -3.102 1.00 22.06 O +ATOM 592 CB GLN E 89 42.781 78.152 -3.757 1.00 22.84 C +ATOM 593 CG GLN E 89 43.135 77.447 -2.436 1.00 23.21 C +ATOM 594 CD GLN E 89 44.609 77.461 -2.088 1.00 23.30 C +ATOM 595 OE1 GLN E 89 44.973 77.323 -0.917 1.00 25.54 O +ATOM 596 NE2 GLN E 89 45.463 77.618 -3.088 1.00 24.12 N +ATOM 597 N VAL E 90 39.881 78.131 -2.096 1.00 21.23 N +ATOM 598 CA VAL E 90 39.099 78.750 -1.039 1.00 20.60 C +ATOM 599 C VAL E 90 39.893 78.725 0.266 1.00 20.32 C +ATOM 600 O VAL E 90 40.500 77.712 0.630 1.00 20.01 O +ATOM 601 CB VAL E 90 37.714 78.065 -0.874 1.00 20.57 C +ATOM 602 CG1 VAL E 90 36.922 78.678 0.297 1.00 20.19 C +ATOM 603 CG2 VAL E 90 36.928 78.157 -2.164 1.00 19.60 C +ATOM 604 N ILE E 91 39.916 79.867 0.944 1.00 20.41 N +ATOM 605 CA ILE E 91 40.539 79.961 2.253 1.00 19.98 C +ATOM 606 C ILE E 91 39.462 80.317 3.261 1.00 19.91 C +ATOM 607 O ILE E 91 38.871 81.396 3.194 1.00 19.58 O +ATOM 608 CB ILE E 91 41.704 80.973 2.278 1.00 20.22 C +ATOM 609 CG1 ILE E 91 42.798 80.511 1.309 1.00 20.58 C +ATOM 610 CG2 ILE E 91 42.235 81.144 3.714 1.00 20.34 C +ATOM 611 CD1 ILE E 91 44.030 81.326 1.341 1.00 21.89 C +ATOM 612 N VAL E 92 39.186 79.378 4.165 1.00 19.65 N +ATOM 613 CA VAL E 92 38.199 79.578 5.214 1.00 19.47 C +ATOM 614 C VAL E 92 38.852 80.384 6.329 1.00 19.67 C +ATOM 615 O VAL E 92 39.888 79.988 6.877 1.00 19.47 O +ATOM 616 CB VAL E 92 37.654 78.231 5.795 1.00 19.34 C +ATOM 617 CG1 VAL E 92 36.620 78.486 6.910 1.00 19.76 C +ATOM 618 CG2 VAL E 92 37.046 77.355 4.694 1.00 19.00 C +ATOM 619 N HIS E 93 38.255 81.528 6.637 1.00 19.87 N +ATOM 620 CA HIS E 93 38.688 82.330 7.762 1.00 20.01 C +ATOM 621 C HIS E 93 37.930 81.832 8.997 1.00 20.23 C +ATOM 622 O HIS E 93 38.545 81.344 9.951 1.00 20.21 O +ATOM 623 CB HIS E 93 38.470 83.824 7.485 1.00 20.25 C +ATOM 624 CG HIS E 93 38.814 84.719 8.639 1.00 21.05 C +ATOM 625 ND1 HIS E 93 40.076 84.776 9.190 1.00 22.98 N +ATOM 626 CD2 HIS E 93 38.066 85.615 9.326 1.00 22.07 C +ATOM 627 CE1 HIS E 93 40.086 85.652 10.180 1.00 21.70 C +ATOM 628 NE2 HIS E 93 38.878 86.176 10.282 1.00 21.63 N +ATOM 629 N LYS E 94 36.600 81.930 8.963 1.00 20.15 N +ATOM 630 CA LYS E 94 35.763 81.511 10.086 1.00 20.61 C +ATOM 631 C LYS E 94 34.394 81.002 9.648 1.00 20.48 C +ATOM 632 O LYS E 94 33.739 81.594 8.785 1.00 20.29 O +ATOM 633 CB LYS E 94 35.549 82.667 11.084 1.00 20.72 C +ATOM 634 CG LYS E 94 36.808 83.270 11.716 1.00 22.09 C +ATOM 635 CD LYS E 94 37.400 82.403 12.827 1.00 24.18 C +ATOM 636 CE LYS E 94 38.750 82.948 13.287 1.00 24.89 C +ATOM 637 NZ LYS E 94 39.304 82.191 14.449 1.00 25.71 N +ATOM 638 N TRP E 95 33.975 79.896 10.250 1.00 20.61 N +ATOM 639 CA TRP E 95 32.616 79.406 10.095 1.00 20.98 C +ATOM 640 C TRP E 95 31.743 80.190 11.069 1.00 21.71 C +ATOM 641 O TRP E 95 32.242 80.710 12.076 1.00 21.41 O +ATOM 642 CB TRP E 95 32.529 77.916 10.431 1.00 20.43 C +ATOM 643 CG TRP E 95 33.098 76.997 9.381 1.00 19.99 C +ATOM 644 CD1 TRP E 95 34.371 76.511 9.321 1.00 19.27 C +ATOM 645 CD2 TRP E 95 32.398 76.439 8.255 1.00 19.59 C +ATOM 646 NE1 TRP E 95 34.513 75.689 8.224 1.00 19.45 N +ATOM 647 CE2 TRP E 95 33.319 75.628 7.553 1.00 19.34 C +ATOM 648 CE3 TRP E 95 31.084 76.551 7.769 1.00 19.02 C +ATOM 649 CZ2 TRP E 95 32.969 74.927 6.390 1.00 19.52 C +ATOM 650 CZ3 TRP E 95 30.736 75.857 6.613 1.00 19.28 C +ATOM 651 CH2 TRP E 95 31.678 75.053 5.937 1.00 19.51 C +ATOM 652 N GLU E 96 30.450 80.285 10.773 1.00 22.72 N +ATOM 653 CA GLU E 96 29.522 80.932 11.698 1.00 23.69 C +ATOM 654 C GLU E 96 29.415 80.118 12.986 1.00 24.50 C +ATOM 655 O GLU E 96 29.502 78.885 12.961 1.00 24.69 O +ATOM 656 CB GLU E 96 28.145 81.144 11.061 1.00 23.71 C +ATOM 657 CG GLU E 96 27.378 79.872 10.710 1.00 23.59 C +ATOM 658 CD GLU E 96 26.030 80.162 10.078 1.00 23.76 C +ATOM 659 OE1 GLU E 96 25.557 79.313 9.290 1.00 23.87 O +ATOM 660 OE2 GLU E 96 25.453 81.240 10.356 1.00 22.78 O +ATOM 661 N THR E 97 29.232 80.818 14.102 1.00 25.44 N +ATOM 662 CA THR E 97 29.151 80.188 15.425 1.00 26.34 C +ATOM 663 C THR E 97 27.736 79.701 15.795 1.00 26.66 C +ATOM 664 O THR E 97 27.427 79.480 16.972 1.00 27.05 O +ATOM 665 CB THR E 97 29.744 81.115 16.520 1.00 26.29 C +ATOM 666 OG1 THR E 97 29.639 80.484 17.803 1.00 27.31 O +ATOM 667 CG2 THR E 97 29.024 82.466 16.550 1.00 26.71 C +ATOM 668 N HIS E 98 26.892 79.526 14.778 1.00 27.15 N +ATOM 669 CA HIS E 98 25.526 79.035 14.947 1.00 27.55 C +ATOM 670 C HIS E 98 25.517 77.594 15.465 1.00 27.66 C +ATOM 671 O HIS E 98 26.111 76.700 14.856 1.00 27.90 O +ATOM 672 CB HIS E 98 24.764 79.132 13.618 1.00 27.67 C +ATOM 673 CG HIS E 98 23.404 78.507 13.650 1.00 28.37 C +ATOM 674 ND1 HIS E 98 23.188 77.179 13.350 1.00 29.00 N +ATOM 675 CD2 HIS E 98 22.190 79.027 13.948 1.00 28.88 C +ATOM 676 CE1 HIS E 98 21.900 76.907 13.467 1.00 29.12 C +ATOM 677 NE2 HIS E 98 21.272 78.012 13.827 1.00 29.16 N +ATOM 678 N PRO E 101 23.544 72.703 12.874 1.00 27.45 N +ATOM 679 CA PRO E 101 23.636 73.621 11.740 1.00 27.41 C +ATOM 680 C PRO E 101 22.261 74.070 11.238 1.00 27.25 C +ATOM 681 O PRO E 101 21.260 73.886 11.933 1.00 27.33 O +ATOM 682 CB PRO E 101 24.365 72.793 10.665 1.00 27.30 C +ATOM 683 CG PRO E 101 24.440 71.393 11.193 1.00 27.57 C +ATOM 684 CD PRO E 101 24.372 71.502 12.677 1.00 27.47 C +ATOM 685 N ARG E 102 22.225 74.661 10.044 1.00 27.03 N +ATOM 686 CA ARG E 102 20.978 75.136 9.442 1.00 26.75 C +ATOM 687 C ARG E 102 20.445 74.084 8.482 1.00 26.55 C +ATOM 688 O ARG E 102 21.215 73.300 7.933 1.00 26.39 O +ATOM 689 CB ARG E 102 21.199 76.458 8.701 1.00 26.73 C +ATOM 690 CG ARG E 102 21.810 77.568 9.545 1.00 26.73 C +ATOM 691 CD ARG E 102 22.040 78.815 8.707 1.00 26.74 C +ATOM 692 NE ARG E 102 22.680 79.894 9.458 1.00 26.62 N +ATOM 693 CZ ARG E 102 22.034 80.782 10.212 1.00 26.79 C +ATOM 694 NH1 ARG E 102 20.713 80.726 10.340 1.00 26.49 N +ATOM 695 NH2 ARG E 102 22.715 81.728 10.848 1.00 26.52 N +ATOM 696 N SER E 103 19.129 74.068 8.283 1.00 26.44 N +ATOM 697 CA SER E 103 18.499 73.088 7.394 1.00 26.42 C +ATOM 698 C SER E 103 17.351 73.659 6.557 1.00 26.27 C +ATOM 699 O SER E 103 16.665 74.598 6.974 1.00 26.22 O +ATOM 700 CB SER E 103 18.038 71.854 8.182 1.00 26.33 C +ATOM 701 OG SER E 103 17.228 72.221 9.283 1.00 27.01 O +ATOM 702 N ILE E 104 17.158 73.076 5.374 1.00 26.06 N +ATOM 703 CA ILE E 104 16.109 73.492 4.443 1.00 25.85 C +ATOM 704 C ILE E 104 15.546 72.322 3.621 1.00 25.74 C +ATOM 705 O ILE E 104 16.295 71.487 3.110 1.00 25.68 O +ATOM 706 CB ILE E 104 16.594 74.643 3.498 1.00 25.80 C +ATOM 707 CG1 ILE E 104 15.455 75.109 2.577 1.00 25.70 C +ATOM 708 CG2 ILE E 104 17.859 74.232 2.711 1.00 25.82 C +ATOM 709 CD1 ILE E 104 15.818 76.248 1.647 1.00 25.90 C +ATOM 710 N THR E 105 14.220 72.270 3.517 1.00 25.69 N +ATOM 711 CA THR E 105 13.536 71.289 2.676 1.00 25.64 C +ATOM 712 C THR E 105 12.651 72.045 1.676 1.00 25.54 C +ATOM 713 O THR E 105 11.499 72.366 1.981 1.00 25.47 O +ATOM 714 CB THR E 105 12.711 70.265 3.505 1.00 25.67 C +ATOM 715 OG1 THR E 105 13.556 69.642 4.480 1.00 25.76 O +ATOM 716 CG2 THR E 105 12.112 69.183 2.605 1.00 25.52 C +ATOM 717 N PRO E 106 13.206 72.359 0.489 1.00 25.48 N +ATOM 718 CA PRO E 106 12.488 73.085 -0.562 1.00 25.38 C +ATOM 719 C PRO E 106 11.243 72.366 -1.080 1.00 25.29 C +ATOM 720 O PRO E 106 11.324 71.230 -1.549 1.00 25.23 O +ATOM 721 CB PRO E 106 13.533 73.234 -1.678 1.00 25.43 C +ATOM 722 CG PRO E 106 14.578 72.232 -1.383 1.00 25.50 C +ATOM 723 CD PRO E 106 14.595 72.056 0.096 1.00 25.47 C +ATOM 724 N LEU E 107 10.102 73.043 -0.976 1.00 25.30 N +ATOM 725 CA LEU E 107 8.815 72.520 -1.439 1.00 25.26 C +ATOM 726 C LEU E 107 8.107 73.558 -2.317 1.00 25.16 C +ATOM 727 O LEU E 107 6.893 73.491 -2.534 1.00 25.22 O +ATOM 728 CB LEU E 107 7.932 72.115 -0.249 1.00 25.23 C +ATOM 729 CG LEU E 107 8.421 71.025 0.717 1.00 25.31 C +ATOM 730 CD1 LEU E 107 7.507 70.944 1.933 1.00 25.45 C +ATOM 731 CD2 LEU E 107 8.541 69.661 0.040 1.00 25.33 C +ATOM 732 N GLU E 108 8.888 74.514 -2.816 1.00 25.03 N +ATOM 733 CA GLU E 108 8.398 75.585 -3.682 1.00 24.91 C +ATOM 734 C GLU E 108 9.347 75.777 -4.868 1.00 24.79 C +ATOM 735 O GLU E 108 10.505 75.359 -4.816 1.00 24.71 O +ATOM 736 CB GLU E 108 8.251 76.891 -2.889 1.00 24.86 C +ATOM 737 CG GLU E 108 7.157 76.859 -1.816 1.00 25.08 C +ATOM 738 CD GLU E 108 7.143 78.091 -0.918 1.00 25.06 C +ATOM 739 OE1 GLU E 108 8.189 78.769 -0.793 1.00 25.04 O +ATOM 740 OE2 GLU E 108 6.078 78.371 -0.321 1.00 24.68 O +ATOM 741 N SER E 109 8.847 76.404 -5.931 1.00 24.70 N +ATOM 742 CA SER E 109 9.633 76.654 -7.144 1.00 24.56 C +ATOM 743 C SER E 109 10.779 77.639 -6.889 1.00 24.44 C +ATOM 744 O SER E 109 11.928 77.373 -7.253 1.00 24.35 O +ATOM 745 CB SER E 109 8.725 77.156 -8.274 1.00 24.59 C +ATOM 746 OG SER E 109 9.447 77.329 -9.481 1.00 24.61 O +ATOM 747 N GLU E 110 10.453 78.770 -6.266 1.00 24.31 N +ATOM 748 CA GLU E 110 11.435 79.797 -5.912 1.00 24.19 C +ATOM 749 C GLU E 110 11.299 80.170 -4.438 1.00 23.92 C +ATOM 750 O GLU E 110 10.200 80.476 -3.966 1.00 23.94 O +ATOM 751 CB GLU E 110 11.276 81.039 -6.796 1.00 24.19 C +ATOM 752 CG GLU E 110 11.628 80.815 -8.265 1.00 24.42 C +ATOM 753 CD GLU E 110 11.349 82.025 -9.145 1.00 24.53 C +ATOM 754 OE1 GLU E 110 11.538 81.911 -10.375 1.00 24.98 O +ATOM 755 OE2 GLU E 110 10.939 83.084 -8.621 1.00 25.00 O +ATOM 756 N ILE E 111 12.418 80.132 -3.719 1.00 23.63 N +ATOM 757 CA ILE E 111 12.445 80.421 -2.283 1.00 23.39 C +ATOM 758 C ILE E 111 13.535 81.445 -1.943 1.00 23.13 C +ATOM 759 O ILE E 111 14.626 81.421 -2.518 1.00 22.90 O +ATOM 760 CB ILE E 111 12.682 79.133 -1.437 1.00 23.44 C +ATOM 761 CG1 ILE E 111 11.780 77.986 -1.907 1.00 23.56 C +ATOM 762 CG2 ILE E 111 12.468 79.409 0.058 1.00 23.51 C +ATOM 763 CD1 ILE E 111 12.126 76.642 -1.308 1.00 23.40 C +ATOM 764 N ILE E 112 13.222 82.345 -1.012 1.00 22.80 N +ATOM 765 CA ILE E 112 14.179 83.334 -0.524 1.00 22.50 C +ATOM 766 C ILE E 112 14.396 83.125 0.976 1.00 22.28 C +ATOM 767 O ILE E 112 13.473 83.291 1.780 1.00 22.30 O +ATOM 768 CB ILE E 112 13.726 84.784 -0.831 1.00 22.57 C +ATOM 769 CG1 ILE E 112 13.598 84.988 -2.348 1.00 22.52 C +ATOM 770 CG2 ILE E 112 14.699 85.799 -0.216 1.00 22.57 C +ATOM 771 CD1 ILE E 112 12.913 86.275 -2.757 1.00 22.43 C +ATOM 772 N ILE E 113 15.619 82.742 1.334 1.00 22.02 N +ATOM 773 CA ILE E 113 15.989 82.476 2.723 1.00 21.72 C +ATOM 774 C ILE E 113 16.852 83.605 3.286 1.00 21.59 C +ATOM 775 O ILE E 113 17.950 83.867 2.788 1.00 21.51 O +ATOM 776 CB ILE E 113 16.737 81.115 2.867 1.00 21.64 C +ATOM 777 CG1 ILE E 113 15.872 79.944 2.364 1.00 21.53 C +ATOM 778 CG2 ILE E 113 17.218 80.891 4.308 1.00 21.62 C +ATOM 779 CD1 ILE E 113 14.627 79.630 3.197 1.00 21.03 C +ATOM 780 N ASP E 114 16.340 84.272 4.317 1.00 21.32 N +ATOM 781 CA ASP E 114 17.073 85.330 4.999 1.00 21.20 C +ATOM 782 C ASP E 114 17.473 84.814 6.376 1.00 21.19 C +ATOM 783 O ASP E 114 16.638 84.702 7.276 1.00 21.14 O +ATOM 784 CB ASP E 114 16.218 86.599 5.112 1.00 21.06 C +ATOM 785 CG ASP E 114 17.023 87.827 5.526 1.00 20.88 C +ATOM 786 OD1 ASP E 114 18.198 87.698 5.938 1.00 20.35 O +ATOM 787 OD2 ASP E 114 16.466 88.940 5.438 1.00 20.80 O +ATOM 788 N ASP E 115 18.756 84.496 6.525 1.00 21.21 N +ATOM 789 CA ASP E 115 19.284 83.938 7.773 1.00 21.32 C +ATOM 790 C ASP E 115 19.825 84.990 8.747 1.00 21.48 C +ATOM 791 O ASP E 115 20.571 84.669 9.677 1.00 21.52 O +ATOM 792 CB ASP E 115 20.323 82.840 7.483 1.00 21.15 C +ATOM 793 CG ASP E 115 19.685 81.542 6.991 1.00 20.89 C +ATOM 794 OD1 ASP E 115 18.586 81.182 7.471 1.00 20.65 O +ATOM 795 OD2 ASP E 115 20.287 80.869 6.131 1.00 19.76 O +ATOM 796 N GLY E 116 19.435 86.243 8.521 1.00 21.77 N +ATOM 797 CA GLY E 116 19.767 87.350 9.415 1.00 22.06 C +ATOM 798 C GLY E 116 21.213 87.801 9.407 1.00 22.32 C +ATOM 799 O GLY E 116 21.743 88.200 8.369 1.00 22.22 O +ATOM 800 N GLN E 117 21.840 87.740 10.580 1.00 22.65 N +ATOM 801 CA GLN E 117 23.219 88.188 10.769 1.00 23.03 C +ATOM 802 C GLN E 117 24.165 87.025 11.033 1.00 23.20 C +ATOM 803 O GLN E 117 23.817 86.077 11.740 1.00 23.36 O +ATOM 804 CB GLN E 117 23.303 89.183 11.932 1.00 23.06 C +ATOM 805 CG GLN E 117 22.591 90.515 11.699 1.00 23.52 C +ATOM 806 CD GLN E 117 23.369 91.474 10.805 1.00 23.93 C +ATOM 807 OE1 GLN E 117 24.577 91.326 10.607 1.00 23.91 O +ATOM 808 NE2 GLN E 117 22.676 92.478 10.276 1.00 24.30 N +ATOM 809 N PHE E 118 25.366 87.125 10.467 1.00 23.35 N +ATOM 810 CA PHE E 118 26.424 86.127 10.620 1.00 23.63 C +ATOM 811 C PHE E 118 27.008 86.175 12.035 1.00 23.89 C +ATOM 812 O PHE E 118 27.347 87.250 12.540 1.00 23.94 O +ATOM 813 CB PHE E 118 27.508 86.379 9.567 1.00 23.39 C +ATOM 814 CG PHE E 118 28.594 85.336 9.525 1.00 23.16 C +ATOM 815 CD1 PHE E 118 28.546 84.304 8.592 1.00 22.75 C +ATOM 816 CD2 PHE E 118 29.687 85.411 10.387 1.00 22.90 C +ATOM 817 CE1 PHE E 118 29.558 83.354 8.534 1.00 22.32 C +ATOM 818 CE2 PHE E 118 30.700 84.461 10.341 1.00 22.90 C +ATOM 819 CZ PHE E 118 30.639 83.433 9.411 1.00 22.41 C +ATOM 820 N GLY E 119 27.124 85.004 12.661 1.00 24.17 N +ATOM 821 CA GLY E 119 27.608 84.886 14.042 1.00 24.69 C +ATOM 822 C GLY E 119 29.019 85.391 14.290 1.00 24.98 C +ATOM 823 O GLY E 119 29.310 85.941 15.358 1.00 25.07 O Added: SwiftApps/modFTdock/input/2z17-1.pdb =================================================================== --- SwiftApps/modFTdock/input/2z17-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/2z17-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,734 @@ +ATOM 1 N PHE A 11 19.178 -34.022 -1.674 1.00 84.63 N +ATOM 2 CA PHE A 11 18.300 -33.041 -0.972 1.00 84.67 C +ATOM 3 C PHE A 11 16.942 -33.656 -0.639 1.00 85.51 C +ATOM 4 O PHE A 11 16.537 -33.701 0.536 1.00 84.81 O +ATOM 5 CB PHE A 11 18.094 -31.796 -1.842 1.00 83.16 C +ATOM 6 CG PHE A 11 17.523 -30.635 -1.088 1.00 82.25 C +ATOM 7 CD1 PHE A 11 16.215 -30.680 -0.600 1.00 81.56 C +ATOM 8 CD2 PHE A 11 18.313 -29.525 -0.800 1.00 80.97 C +ATOM 9 CE1 PHE A 11 15.706 -29.650 0.163 1.00 80.81 C +ATOM 10 CE2 PHE A 11 17.818 -28.486 -0.035 1.00 80.59 C +ATOM 11 CZ PHE A 11 16.506 -28.549 0.451 1.00 81.91 C +ATOM 12 N SER A 12 16.251 -34.102 -1.694 1.00 85.90 N +ATOM 13 CA SER A 12 14.933 -34.741 -1.606 1.00 85.65 C +ATOM 14 C SER A 12 14.243 -34.538 -0.250 1.00 85.05 C +ATOM 15 O SER A 12 14.250 -35.409 0.622 1.00 84.97 O +ATOM 16 CB SER A 12 15.059 -36.244 -1.943 1.00 85.57 C +ATOM 17 OG SER A 12 16.321 -36.766 -1.550 1.00 84.32 O +ATOM 18 N TRP A 13 13.645 -33.367 -0.089 1.00 84.49 N +ATOM 19 CA TRP A 13 12.965 -33.020 1.143 1.00 83.10 C +ATOM 20 C TRP A 13 12.208 -31.672 0.989 1.00 81.67 C +ATOM 21 O TRP A 13 12.341 -30.962 -0.018 1.00 80.19 O +ATOM 22 CB TRP A 13 14.004 -33.002 2.297 1.00 84.36 C +ATOM 23 CG TRP A 13 13.639 -32.126 3.451 1.00 86.37 C +ATOM 24 CD1 TRP A 13 14.375 -31.082 3.950 1.00 87.38 C +ATOM 25 CD2 TRP A 13 12.362 -32.055 4.094 1.00 87.20 C +ATOM 26 NE1 TRP A 13 13.622 -30.351 4.841 1.00 87.68 N +ATOM 27 CE2 TRP A 13 12.382 -30.927 4.943 1.00 87.90 C +ATOM 28 CE3 TRP A 13 11.193 -32.828 4.020 1.00 87.63 C +ATOM 29 CZ2 TRP A 13 11.273 -30.548 5.706 1.00 88.54 C +ATOM 30 CZ3 TRP A 13 10.092 -32.448 4.775 1.00 88.74 C +ATOM 31 CH2 TRP A 13 10.141 -31.318 5.607 1.00 88.36 C +ATOM 32 N SER A 14 11.382 -31.380 1.992 1.00 79.84 N +ATOM 33 CA SER A 14 10.545 -30.195 2.129 1.00 76.79 C +ATOM 34 C SER A 14 9.573 -29.966 0.988 1.00 74.76 C +ATOM 35 O SER A 14 9.944 -29.816 -0.177 1.00 74.03 O +ATOM 36 CB SER A 14 11.397 -28.959 2.407 1.00 75.90 C +ATOM 37 OG SER A 14 12.587 -28.969 1.651 1.00 76.39 O +ATOM 38 N GLN A 15 8.303 -29.970 1.371 1.00 72.45 N +ATOM 39 CA GLN A 15 7.192 -29.794 0.462 1.00 70.24 C +ATOM 40 C GLN A 15 7.400 -28.608 -0.458 1.00 67.19 C +ATOM 41 O GLN A 15 7.274 -27.467 -0.024 1.00 68.58 O +ATOM 42 CB GLN A 15 5.903 -29.618 1.277 1.00 71.59 C +ATOM 43 CG GLN A 15 5.482 -30.876 2.052 1.00 72.55 C +ATOM 44 CD GLN A 15 4.963 -32.001 1.144 1.00 72.18 C +ATOM 45 OE1 GLN A 15 3.779 -32.040 0.790 1.00 70.52 O +ATOM 46 NE2 GLN A 15 5.858 -32.909 0.756 1.00 71.87 N +ATOM 47 N ARG A 16 7.724 -28.871 -1.722 1.00 62.60 N +ATOM 48 CA ARG A 16 7.927 -27.787 -2.680 1.00 58.74 C +ATOM 49 C ARG A 16 6.657 -26.959 -2.787 1.00 53.97 C +ATOM 50 O ARG A 16 5.614 -27.460 -3.206 1.00 53.91 O +ATOM 51 CB ARG A 16 8.282 -28.325 -4.067 1.00 59.81 C +ATOM 52 CG ARG A 16 9.598 -29.048 -4.132 1.00 63.24 C +ATOM 53 CD ARG A 16 10.105 -29.124 -5.564 1.00 66.23 C +ATOM 54 NE ARG A 16 10.483 -27.805 -6.066 1.00 67.44 N +ATOM 55 CZ ARG A 16 10.772 -27.554 -7.336 1.00 68.06 C +ATOM 56 NH1 ARG A 16 10.722 -28.531 -8.232 1.00 68.87 N +ATOM 57 NH2 ARG A 16 11.113 -26.329 -7.710 1.00 68.87 N +ATOM 58 N LYS A 17 6.744 -25.695 -2.404 1.00 47.77 N +ATOM 59 CA LYS A 17 5.591 -24.835 -2.470 1.00 43.59 C +ATOM 60 C LYS A 17 5.797 -23.533 -3.226 1.00 42.01 C +ATOM 61 O LYS A 17 6.908 -23.017 -3.366 1.00 41.10 O +ATOM 62 CB LYS A 17 5.075 -24.509 -1.076 1.00 42.59 C +ATOM 63 CG LYS A 17 5.896 -25.024 0.077 1.00 42.40 C +ATOM 64 CD LYS A 17 5.348 -24.449 1.381 1.00 42.97 C +ATOM 65 CE LYS A 17 5.973 -25.081 2.595 1.00 41.51 C +ATOM 66 NZ LYS A 17 5.352 -24.532 3.845 1.00 42.72 N +ATOM 67 N LEU A 18 4.684 -23.007 -3.708 1.00 40.41 N +ATOM 68 CA LEU A 18 4.650 -21.766 -4.450 1.00 38.88 C +ATOM 69 C LEU A 18 3.620 -20.944 -3.719 1.00 38.43 C +ATOM 70 O LEU A 18 2.412 -21.081 -3.922 1.00 39.33 O +ATOM 71 CB LEU A 18 4.222 -22.044 -5.884 1.00 38.78 C +ATOM 72 CG LEU A 18 4.308 -20.908 -6.890 1.00 40.83 C +ATOM 73 CD1 LEU A 18 5.342 -19.877 -6.474 1.00 38.28 C +ATOM 74 CD2 LEU A 18 4.637 -21.527 -8.249 1.00 41.46 C +ATOM 75 N VAL A 19 4.107 -20.079 -2.855 1.00 38.24 N +ATOM 76 CA VAL A 19 3.229 -19.276 -2.049 1.00 37.93 C +ATOM 77 C VAL A 19 3.308 -17.773 -2.265 1.00 37.94 C +ATOM 78 O VAL A 19 4.307 -17.262 -2.737 1.00 41.10 O +ATOM 79 CB VAL A 19 3.506 -19.642 -0.620 1.00 37.44 C +ATOM 80 CG1 VAL A 19 2.724 -18.762 0.346 1.00 36.67 C +ATOM 81 CG2 VAL A 19 3.161 -21.112 -0.458 1.00 35.72 C +ATOM 82 N THR A 20 2.236 -17.066 -1.936 1.00 37.71 N +ATOM 83 CA THR A 20 2.225 -15.625 -2.079 1.00 36.88 C +ATOM 84 C THR A 20 1.655 -14.962 -0.863 1.00 36.69 C +ATOM 85 O THR A 20 0.485 -15.102 -0.589 1.00 39.02 O +ATOM 86 CB THR A 20 1.418 -15.212 -3.260 1.00 37.01 C +ATOM 87 OG1 THR A 20 2.152 -15.532 -4.447 1.00 38.87 O +ATOM 88 CG2 THR A 20 1.145 -13.732 -3.207 1.00 38.70 C +ATOM 89 N VAL A 21 2.490 -14.222 -0.153 1.00 36.09 N +ATOM 90 CA VAL A 21 2.103 -13.538 1.071 1.00 37.54 C +ATOM 91 C VAL A 21 1.878 -12.033 0.959 1.00 38.73 C +ATOM 92 O VAL A 21 2.660 -11.323 0.321 1.00 40.91 O +ATOM 93 CB VAL A 21 3.197 -13.697 2.146 1.00 38.48 C +ATOM 94 CG1 VAL A 21 2.697 -13.160 3.466 1.00 38.02 C +ATOM 95 CG2 VAL A 21 3.644 -15.141 2.250 1.00 39.43 C +ATOM 96 N GLU A 22 0.826 -11.531 1.595 1.00 38.61 N +ATOM 97 CA GLU A 22 0.602 -10.090 1.594 1.00 37.44 C +ATOM 98 C GLU A 22 0.512 -9.638 3.034 1.00 34.94 C +ATOM 99 O GLU A 22 0.200 -10.432 3.913 1.00 35.55 O +ATOM 100 CB GLU A 22 -0.643 -9.674 0.804 1.00 39.59 C +ATOM 101 CG GLU A 22 -1.801 -10.623 0.823 1.00 48.68 C +ATOM 102 CD GLU A 22 -3.103 -9.941 0.417 1.00 53.88 C +ATOM 103 OE1 GLU A 22 -4.156 -10.629 0.481 1.00 56.79 O +ATOM 104 OE2 GLU A 22 -3.071 -8.728 0.048 1.00 53.78 O +ATOM 105 N LYS A 23 0.818 -8.375 3.281 1.00 31.52 N +ATOM 106 CA LYS A 23 0.799 -7.888 4.625 1.00 31.02 C +ATOM 107 C LYS A 23 0.425 -6.415 4.731 1.00 33.27 C +ATOM 108 O LYS A 23 0.317 -5.697 3.731 1.00 32.95 O +ATOM 109 CB LYS A 23 2.171 -8.110 5.248 1.00 31.12 C +ATOM 110 CG LYS A 23 3.223 -7.112 4.784 1.00 30.72 C +ATOM 111 CD LYS A 23 4.605 -7.438 5.320 1.00 31.65 C +ATOM 112 CE LYS A 23 5.664 -6.548 4.700 1.00 29.44 C +ATOM 113 NZ LYS A 23 5.233 -5.144 4.759 1.00 29.70 N +ATOM 114 N GLN A 24 0.226 -6.001 5.977 1.00 35.65 N +ATOM 115 CA GLN A 24 -0.116 -4.648 6.349 1.00 40.17 C +ATOM 116 C GLN A 24 1.133 -3.788 6.180 1.00 41.34 C +ATOM 117 O GLN A 24 2.233 -4.206 6.490 1.00 42.05 O +ATOM 118 CB GLN A 24 -0.545 -4.603 7.822 1.00 45.87 C +ATOM 119 CG GLN A 24 -1.781 -5.435 8.234 1.00 50.23 C +ATOM 120 CD GLN A 24 -1.980 -5.478 9.774 1.00 54.08 C +ATOM 121 OE1 GLN A 24 -2.964 -6.055 10.282 1.00 53.32 O +ATOM 122 NE2 GLN A 24 -1.035 -4.866 10.517 1.00 53.78 N +ATOM 123 N ASP A 25 0.951 -2.569 5.720 1.00 42.82 N +ATOM 124 CA ASP A 25 2.067 -1.668 5.505 1.00 45.30 C +ATOM 125 C ASP A 25 3.097 -1.523 6.625 1.00 45.27 C +ATOM 126 O ASP A 25 4.272 -1.313 6.353 1.00 46.33 O +ATOM 127 CB ASP A 25 1.525 -0.288 5.151 1.00 47.83 C +ATOM 128 CG ASP A 25 0.498 -0.346 4.050 1.00 48.85 C +ATOM 129 OD1 ASP A 25 0.785 0.163 2.942 1.00 49.32 O +ATOM 130 OD2 ASP A 25 -0.590 -0.913 4.303 1.00 49.46 O +ATOM 131 N ASN A 26 2.688 -1.615 7.879 1.00 46.02 N +ATOM 132 CA ASN A 26 3.677 -1.442 8.940 1.00 47.00 C +ATOM 133 C ASN A 26 3.993 -2.678 9.812 1.00 46.75 C +ATOM 134 O ASN A 26 4.346 -2.545 10.991 1.00 47.36 O +ATOM 135 CB ASN A 26 3.273 -0.250 9.822 1.00 47.85 C +ATOM 136 CG ASN A 26 4.474 0.504 10.371 1.00 48.93 C +ATOM 137 OD1 ASN A 26 5.402 0.846 9.629 1.00 50.97 O +ATOM 138 ND2 ASN A 26 4.460 0.780 11.669 1.00 48.26 N +ATOM 139 N GLU A 27 3.856 -3.869 9.230 1.00 46.25 N +ATOM 140 CA GLU A 27 4.161 -5.126 9.916 1.00 43.84 C +ATOM 141 C GLU A 27 5.151 -5.923 9.070 1.00 42.37 C +ATOM 142 O GLU A 27 5.403 -5.586 7.912 1.00 41.17 O +ATOM 143 CB GLU A 27 2.902 -5.958 10.122 1.00 42.33 C +ATOM 144 CG GLU A 27 2.216 -6.379 8.847 1.00 44.23 C +ATOM 145 CD GLU A 27 0.926 -7.132 9.110 1.00 43.33 C +ATOM 146 OE1 GLU A 27 0.553 -7.264 10.284 1.00 43.93 O +ATOM 147 OE2 GLU A 27 0.278 -7.592 8.153 1.00 44.01 O +ATOM 148 N THR A 28 5.720 -6.969 9.650 1.00 40.64 N +ATOM 149 CA THR A 28 6.650 -7.803 8.899 1.00 40.56 C +ATOM 150 C THR A 28 5.868 -9.020 8.359 1.00 39.59 C +ATOM 151 O THR A 28 4.783 -9.346 8.879 1.00 40.19 O +ATOM 152 CB THR A 28 7.860 -8.259 9.794 1.00 40.57 C +ATOM 153 OG1 THR A 28 7.416 -9.132 10.841 1.00 38.81 O +ATOM 154 CG2 THR A 28 8.522 -7.050 10.421 1.00 40.98 C +ATOM 155 N PHE A 29 6.381 -9.668 7.309 1.00 36.28 N +ATOM 156 CA PHE A 29 5.700 -10.844 6.762 1.00 34.26 C +ATOM 157 C PHE A 29 5.596 -11.918 7.818 1.00 34.14 C +ATOM 158 O PHE A 29 4.750 -12.786 7.730 1.00 35.25 O +ATOM 159 CB PHE A 29 6.425 -11.397 5.548 1.00 31.81 C +ATOM 160 CG PHE A 29 6.252 -10.562 4.327 1.00 28.03 C +ATOM 161 CD1 PHE A 29 7.332 -9.897 3.767 1.00 26.18 C +ATOM 162 CD2 PHE A 29 5.006 -10.428 3.747 1.00 25.56 C +ATOM 163 CE1 PHE A 29 7.166 -9.115 2.656 1.00 25.00 C +ATOM 164 CE2 PHE A 29 4.834 -9.651 2.640 1.00 25.86 C +ATOM 165 CZ PHE A 29 5.924 -8.983 2.086 1.00 24.15 C +ATOM 166 N GLY A 30 6.483 -11.870 8.800 1.00 33.03 N +ATOM 167 CA GLY A 30 6.400 -12.805 9.894 1.00 34.50 C +ATOM 168 C GLY A 30 7.348 -13.965 9.980 1.00 35.70 C +ATOM 169 O GLY A 30 7.096 -14.886 10.744 1.00 36.95 O +ATOM 170 N PHE A 31 8.435 -13.928 9.226 1.00 37.11 N +ATOM 171 CA PHE A 31 9.401 -15.015 9.234 1.00 37.18 C +ATOM 172 C PHE A 31 10.801 -14.480 9.338 1.00 39.11 C +ATOM 173 O PHE A 31 11.028 -13.286 9.155 1.00 41.02 O +ATOM 174 CB PHE A 31 9.274 -15.854 7.962 1.00 36.95 C +ATOM 175 CG PHE A 31 9.475 -15.082 6.677 1.00 34.05 C +ATOM 176 CD1 PHE A 31 10.743 -14.811 6.198 1.00 34.78 C +ATOM 177 CD2 PHE A 31 8.384 -14.686 5.911 1.00 35.75 C +ATOM 178 CE1 PHE A 31 10.924 -14.164 4.964 1.00 34.29 C +ATOM 179 CE2 PHE A 31 8.567 -14.032 4.677 1.00 35.64 C +ATOM 180 CZ PHE A 31 9.840 -13.779 4.211 1.00 32.42 C +ATOM 181 N GLU A 32 11.736 -15.379 9.616 1.00 38.51 N +ATOM 182 CA GLU A 32 13.145 -15.037 9.755 1.00 37.00 C +ATOM 183 C GLU A 32 13.997 -15.923 8.833 1.00 35.43 C +ATOM 184 O GLU A 32 13.769 -17.142 8.732 1.00 32.90 O +ATOM 185 CB GLU A 32 13.565 -15.280 11.190 1.00 38.73 C +ATOM 186 CG GLU A 32 12.734 -14.536 12.194 1.00 44.97 C +ATOM 187 CD GLU A 32 13.216 -13.119 12.383 1.00 48.43 C +ATOM 188 OE1 GLU A 32 12.615 -12.409 13.217 1.00 50.20 O +ATOM 189 OE2 GLU A 32 14.196 -12.723 11.698 1.00 48.74 O +ATOM 190 N ILE A 33 14.967 -15.331 8.147 1.00 32.81 N +ATOM 191 CA ILE A 33 15.793 -16.170 7.320 1.00 34.05 C +ATOM 192 C ILE A 33 17.186 -16.373 7.860 1.00 34.60 C +ATOM 193 O ILE A 33 17.571 -15.811 8.889 1.00 35.95 O +ATOM 194 CB ILE A 33 15.873 -15.711 5.859 1.00 35.16 C +ATOM 195 CG1 ILE A 33 16.495 -14.333 5.772 1.00 35.93 C +ATOM 196 CG2 ILE A 33 14.504 -15.807 5.218 1.00 34.83 C +ATOM 197 CD1 ILE A 33 16.729 -13.915 4.340 1.00 41.55 C +ATOM 198 N GLN A 34 17.966 -17.163 7.137 1.00 34.18 N +ATOM 199 CA GLN A 34 19.267 -17.509 7.623 1.00 30.81 C +ATOM 200 C GLN A 34 20.111 -18.095 6.529 1.00 29.84 C +ATOM 201 O GLN A 34 19.769 -19.117 5.986 1.00 31.69 O +ATOM 202 CB GLN A 34 19.041 -18.539 8.727 1.00 33.07 C +ATOM 203 CG GLN A 34 19.511 -18.122 10.050 1.00 34.61 C +ATOM 204 CD GLN A 34 20.969 -17.879 10.004 1.00 34.32 C +ATOM 205 OE1 GLN A 34 21.521 -17.128 10.811 1.00 33.80 O +ATOM 206 NE2 GLN A 34 21.625 -18.517 9.039 1.00 35.14 N +ATOM 207 N SER A 35 21.216 -17.466 6.194 1.00 30.85 N +ATOM 208 CA SER A 35 22.080 -18.018 5.166 1.00 34.14 C +ATOM 209 C SER A 35 23.018 -19.052 5.769 1.00 33.90 C +ATOM 210 O SER A 35 23.583 -18.821 6.825 1.00 33.91 O +ATOM 211 CB SER A 35 22.911 -16.921 4.514 1.00 35.97 C +ATOM 212 OG SER A 35 22.296 -16.449 3.329 1.00 40.44 O +ATOM 213 N TYR A 36 23.185 -20.194 5.107 1.00 34.76 N +ATOM 214 CA TYR A 36 24.077 -21.217 5.644 1.00 35.76 C +ATOM 215 C TYR A 36 25.098 -21.634 4.657 1.00 36.10 C +ATOM 216 O TYR A 36 24.746 -22.020 3.561 1.00 38.10 O +ATOM 217 CB TYR A 36 23.331 -22.469 6.064 1.00 34.02 C +ATOM 218 CG TYR A 36 22.435 -22.232 7.222 1.00 37.10 C +ATOM 219 CD1 TYR A 36 21.146 -21.727 7.028 1.00 36.41 C +ATOM 220 CD2 TYR A 36 22.887 -22.436 8.522 1.00 34.72 C +ATOM 221 CE1 TYR A 36 20.340 -21.426 8.082 1.00 38.44 C +ATOM 222 CE2 TYR A 36 22.079 -22.134 9.603 1.00 38.94 C +ATOM 223 CZ TYR A 36 20.800 -21.621 9.378 1.00 41.43 C +ATOM 224 OH TYR A 36 19.984 -21.279 10.448 1.00 45.77 O +ATOM 225 N ARG A 37 26.361 -21.578 5.064 1.00 36.69 N +ATOM 226 CA ARG A 37 27.460 -21.980 4.207 1.00 37.03 C +ATOM 227 C ARG A 37 27.996 -23.349 4.593 1.00 37.18 C +ATOM 228 O ARG A 37 28.162 -23.666 5.774 1.00 36.38 O +ATOM 229 CB ARG A 37 28.604 -20.969 4.273 1.00 38.64 C +ATOM 230 CG ARG A 37 28.573 -19.926 3.175 1.00 43.26 C +ATOM 231 CD ARG A 37 29.841 -19.091 3.199 1.00 45.43 C +ATOM 232 NE ARG A 37 30.187 -18.582 1.879 1.00 49.37 N +ATOM 233 CZ ARG A 37 30.336 -19.340 0.789 1.00 52.36 C +ATOM 234 NH1 ARG A 37 30.162 -20.657 0.843 1.00 53.75 N +ATOM 235 NH2 ARG A 37 30.687 -18.782 -0.365 1.00 54.43 N +ATOM 236 N PRO A 38 28.248 -24.191 3.588 1.00 37.21 N +ATOM 237 CA PRO A 38 28.776 -25.543 3.760 1.00 37.97 C +ATOM 238 C PRO A 38 30.299 -25.561 3.892 1.00 39.61 C +ATOM 239 O PRO A 38 30.998 -25.106 3.004 1.00 40.14 O +ATOM 240 CB PRO A 38 28.308 -26.250 2.485 1.00 37.88 C +ATOM 241 CG PRO A 38 28.293 -25.157 1.484 1.00 36.64 C +ATOM 242 CD PRO A 38 27.646 -24.040 2.251 1.00 35.43 C +ATOM 243 N GLN A 39 30.802 -26.098 4.997 1.00 42.33 N +ATOM 244 CA GLN A 39 32.247 -26.194 5.253 1.00 44.57 C +ATOM 245 C GLN A 39 32.680 -27.585 4.855 1.00 43.84 C +ATOM 246 O GLN A 39 33.269 -28.287 5.662 1.00 45.78 O +ATOM 247 CB GLN A 39 32.516 -26.059 6.757 1.00 46.45 C +ATOM 248 CG GLN A 39 31.579 -25.140 7.472 1.00 46.64 C +ATOM 249 CD GLN A 39 31.664 -23.761 6.895 1.00 48.74 C +ATOM 250 OE1 GLN A 39 31.065 -23.474 5.853 1.00 46.94 O +ATOM 251 NE2 GLN A 39 32.449 -22.896 7.546 1.00 48.74 N +ATOM 252 N ASN A 40 32.418 -28.007 3.636 1.00 44.43 N +ATOM 253 CA ASN A 40 32.743 -29.391 3.320 1.00 46.10 C +ATOM 254 C ASN A 40 32.517 -29.844 1.889 1.00 47.67 C +ATOM 255 O ASN A 40 31.394 -30.078 1.447 1.00 47.65 O +ATOM 256 CB ASN A 40 31.938 -30.308 4.252 1.00 48.40 C +ATOM 257 CG ASN A 40 30.540 -29.719 4.616 1.00 46.66 C +ATOM 258 OD1 ASN A 40 29.712 -30.378 5.235 1.00 44.49 O +ATOM 259 ND2 ASN A 40 30.299 -28.480 4.227 1.00 46.20 N +ATOM 260 N GLN A 41 33.615 -29.980 1.176 1.00 50.13 N +ATOM 261 CA GLN A 41 33.605 -30.438 -0.189 1.00 52.40 C +ATOM 262 C GLN A 41 33.459 -31.947 -0.077 1.00 52.83 C +ATOM 263 O GLN A 41 34.139 -32.576 0.741 1.00 53.19 O +ATOM 264 CB GLN A 41 34.930 -30.073 -0.835 1.00 56.06 C +ATOM 265 CG GLN A 41 36.121 -30.341 0.097 1.00 61.12 C +ATOM 266 CD GLN A 41 36.419 -29.217 1.093 1.00 62.17 C +ATOM 267 OE1 GLN A 41 35.563 -28.799 1.868 1.00 62.56 O +ATOM 268 NE2 GLN A 41 37.656 -28.735 1.074 1.00 64.74 N +ATOM 269 N ASN A 42 32.546 -32.508 -0.868 1.00 52.95 N +ATOM 270 CA ASN A 42 32.271 -33.941 -0.888 1.00 53.91 C +ATOM 271 C ASN A 42 31.198 -34.249 -1.931 1.00 55.01 C +ATOM 272 O ASN A 42 30.862 -33.395 -2.753 1.00 55.02 O +ATOM 273 CB ASN A 42 31.814 -34.446 0.490 1.00 53.34 C +ATOM 274 CG ASN A 42 30.570 -33.744 0.986 1.00 56.14 C +ATOM 275 OD1 ASN A 42 29.609 -33.562 0.237 1.00 55.64 O +ATOM 276 ND2 ASN A 42 30.573 -33.353 2.260 1.00 57.06 N +ATOM 277 N ALA A 43 30.671 -35.474 -1.876 1.00 56.03 N +ATOM 278 CA ALA A 43 29.656 -35.998 -2.800 1.00 55.11 C +ATOM 279 C ALA A 43 28.408 -35.155 -3.058 1.00 55.44 C +ATOM 280 O ALA A 43 27.645 -35.436 -3.974 1.00 54.69 O +ATOM 281 CB ALA A 43 29.241 -37.388 -2.341 1.00 53.47 C +ATOM 282 N CYS A 44 28.199 -34.118 -2.265 1.00 57.03 N +ATOM 283 CA CYS A 44 27.022 -33.287 -2.435 1.00 57.69 C +ATOM 284 C CYS A 44 27.286 -32.013 -3.201 1.00 59.31 C +ATOM 285 O CYS A 44 27.770 -32.031 -4.338 1.00 60.39 O +ATOM 286 CB CYS A 44 26.450 -32.965 -1.073 1.00 56.84 C +ATOM 287 SG CYS A 44 26.153 -34.471 -0.170 1.00 59.11 S +ATOM 288 N SER A 45 26.955 -30.892 -2.586 1.00 60.61 N +ATOM 289 CA SER A 45 27.173 -29.636 -3.259 1.00 61.42 C +ATOM 290 C SER A 45 27.293 -28.457 -2.329 1.00 60.37 C +ATOM 291 O SER A 45 26.539 -28.300 -1.379 1.00 57.21 O +ATOM 292 CB SER A 45 26.082 -29.405 -4.307 1.00 64.59 C +ATOM 293 OG SER A 45 26.152 -30.403 -5.325 1.00 67.86 O +ATOM 294 N SER A 46 28.289 -27.646 -2.654 1.00 61.33 N +ATOM 295 CA SER A 46 28.686 -26.442 -1.950 1.00 61.83 C +ATOM 296 C SER A 46 27.861 -25.184 -2.246 1.00 62.37 C +ATOM 297 O SER A 46 26.943 -25.192 -3.068 1.00 63.64 O +ATOM 298 CB SER A 46 30.141 -26.192 -2.309 1.00 62.63 C +ATOM 299 OG SER A 46 30.362 -26.616 -3.651 1.00 58.52 O +ATOM 300 N GLU A 47 28.213 -24.105 -1.550 1.00 63.26 N +ATOM 301 CA GLU A 47 27.582 -22.779 -1.676 1.00 62.49 C +ATOM 302 C GLU A 47 26.271 -22.448 -0.920 1.00 60.72 C +ATOM 303 O GLU A 47 25.472 -23.307 -0.504 1.00 59.68 O +ATOM 304 CB GLU A 47 27.383 -22.413 -3.157 1.00 64.26 C +ATOM 305 CG GLU A 47 27.120 -20.927 -3.397 1.00 65.08 C +ATOM 306 CD GLU A 47 28.340 -20.192 -3.930 1.00 66.95 C +ATOM 307 OE1 GLU A 47 28.335 -18.936 -3.942 1.00 65.93 O +ATOM 308 OE2 GLU A 47 29.300 -20.877 -4.352 1.00 67.24 O +ATOM 309 N MET A 48 26.113 -21.140 -0.777 1.00 57.24 N +ATOM 310 CA MET A 48 25.017 -20.442 -0.143 1.00 54.06 C +ATOM 311 C MET A 48 23.623 -21.020 -0.303 1.00 52.85 C +ATOM 312 O MET A 48 23.247 -21.512 -1.367 1.00 52.99 O +ATOM 313 CB MET A 48 24.989 -19.018 -0.712 1.00 53.06 C +ATOM 314 CG MET A 48 24.778 -17.902 0.276 1.00 51.37 C +ATOM 315 SD MET A 48 26.103 -17.788 1.449 1.00 48.03 S +ATOM 316 CE MET A 48 25.323 -18.643 2.777 1.00 48.17 C +ATOM 317 N PHE A 49 22.857 -20.926 0.776 1.00 50.42 N +ATOM 318 CA PHE A 49 21.460 -21.303 0.774 1.00 46.16 C +ATOM 319 C PHE A 49 20.801 -20.713 2.009 1.00 43.69 C +ATOM 320 O PHE A 49 21.355 -20.740 3.101 1.00 44.96 O +ATOM 321 CB PHE A 49 21.272 -22.815 0.627 1.00 46.95 C +ATOM 322 CG PHE A 49 21.254 -23.592 1.906 1.00 47.16 C +ATOM 323 CD1 PHE A 49 22.385 -23.701 2.696 1.00 46.68 C +ATOM 324 CD2 PHE A 49 20.136 -24.349 2.238 1.00 45.59 C +ATOM 325 CE1 PHE A 49 22.399 -24.573 3.799 1.00 48.24 C +ATOM 326 CE2 PHE A 49 20.151 -25.214 3.329 1.00 46.32 C +ATOM 327 CZ PHE A 49 21.281 -25.331 4.110 1.00 44.74 C +ATOM 328 N THR A 50 19.640 -20.113 1.796 1.00 40.22 N +ATOM 329 CA THR A 50 18.897 -19.453 2.843 1.00 37.43 C +ATOM 330 C THR A 50 17.664 -20.211 3.268 1.00 37.34 C +ATOM 331 O THR A 50 16.930 -20.740 2.447 1.00 39.65 O +ATOM 332 CB THR A 50 18.459 -18.080 2.381 1.00 36.87 C +ATOM 333 OG1 THR A 50 19.592 -17.374 1.866 1.00 34.02 O +ATOM 334 CG2 THR A 50 17.850 -17.300 3.539 1.00 36.39 C +ATOM 335 N LEU A 51 17.421 -20.243 4.567 1.00 37.64 N +ATOM 336 CA LEU A 51 16.262 -20.944 5.096 1.00 39.26 C +ATOM 337 C LEU A 51 15.436 -20.093 6.064 1.00 39.66 C +ATOM 338 O LEU A 51 15.952 -19.201 6.719 1.00 38.14 O +ATOM 339 CB LEU A 51 16.730 -22.225 5.801 1.00 40.09 C +ATOM 340 CG LEU A 51 16.278 -22.602 7.224 1.00 39.23 C +ATOM 341 CD1 LEU A 51 16.781 -24.011 7.460 1.00 40.92 C +ATOM 342 CD2 LEU A 51 16.807 -21.657 8.311 1.00 35.08 C +ATOM 343 N ILE A 52 14.143 -20.368 6.139 1.00 41.46 N +ATOM 344 CA ILE A 52 13.288 -19.661 7.074 1.00 44.07 C +ATOM 345 C ILE A 52 13.688 -20.293 8.402 1.00 46.93 C +ATOM 346 O ILE A 52 13.804 -21.515 8.483 1.00 47.73 O +ATOM 347 CB ILE A 52 11.806 -19.958 6.782 1.00 43.13 C +ATOM 348 CG1 ILE A 52 11.436 -19.411 5.399 1.00 44.02 C +ATOM 349 CG2 ILE A 52 10.933 -19.364 7.863 1.00 42.78 C +ATOM 350 CD1 ILE A 52 9.960 -19.545 5.041 1.00 44.42 C +ATOM 351 N CYS A 53 13.945 -19.502 9.436 1.00 49.10 N +ATOM 352 CA CYS A 53 14.323 -20.128 10.706 1.00 51.31 C +ATOM 353 C CYS A 53 13.274 -19.944 11.787 1.00 52.11 C +ATOM 354 O CYS A 53 13.181 -20.748 12.709 1.00 52.50 O +ATOM 355 CB CYS A 53 15.714 -19.654 11.204 1.00 51.59 C +ATOM 356 SG CYS A 53 16.159 -17.884 11.080 1.00 53.36 S +ATOM 357 N LYS A 54 12.464 -18.901 11.660 1.00 52.24 N +ATOM 358 CA LYS A 54 11.422 -18.648 12.642 1.00 52.14 C +ATOM 359 C LYS A 54 10.173 -18.096 11.967 1.00 51.32 C +ATOM 360 O LYS A 54 10.257 -17.286 11.038 1.00 50.67 O +ATOM 361 CB LYS A 54 11.913 -17.655 13.704 1.00 52.97 C +ATOM 362 CG LYS A 54 11.873 -18.188 15.118 1.00 55.43 C +ATOM 363 CD LYS A 54 12.638 -19.501 15.226 1.00 57.98 C +ATOM 364 CE LYS A 54 13.015 -19.851 16.684 1.00 59.39 C +ATOM 365 NZ LYS A 54 13.976 -21.010 16.757 1.00 58.80 N +ATOM 366 N ILE A 55 9.018 -18.546 12.447 1.00 49.27 N +ATOM 367 CA ILE A 55 7.755 -18.097 11.928 1.00 47.87 C +ATOM 368 C ILE A 55 6.871 -17.623 13.056 1.00 47.48 C +ATOM 369 O ILE A 55 6.663 -18.327 14.012 1.00 47.11 O +ATOM 370 CB ILE A 55 7.074 -19.204 11.152 1.00 48.76 C +ATOM 371 CG1 ILE A 55 7.934 -19.528 9.930 1.00 51.80 C +ATOM 372 CG2 ILE A 55 5.672 -18.774 10.723 1.00 49.11 C +ATOM 373 CD1 ILE A 55 7.241 -20.355 8.851 1.00 53.59 C +ATOM 374 N GLN A 56 6.371 -16.404 12.936 1.00 48.96 N +ATOM 375 CA GLN A 56 5.515 -15.816 13.940 1.00 51.51 C +ATOM 376 C GLN A 56 4.142 -16.433 13.811 1.00 53.42 C +ATOM 377 O GLN A 56 3.573 -16.445 12.723 1.00 53.04 O +ATOM 378 CB GLN A 56 5.429 -14.301 13.721 1.00 52.52 C +ATOM 379 CG GLN A 56 5.918 -13.456 14.885 1.00 54.61 C +ATOM 380 CD GLN A 56 7.384 -13.706 15.216 1.00 58.47 C +ATOM 381 OE1 GLN A 56 7.752 -13.873 16.388 1.00 57.62 O +ATOM 382 NE2 GLN A 56 8.234 -13.727 14.180 1.00 58.49 N +ATOM 383 N GLU A 57 3.609 -16.963 14.910 1.00 56.15 N +ATOM 384 CA GLU A 57 2.275 -17.568 14.865 1.00 58.06 C +ATOM 385 C GLU A 57 1.265 -16.509 14.451 1.00 57.40 C +ATOM 386 O GLU A 57 1.360 -15.358 14.877 1.00 57.92 O +ATOM 387 CB GLU A 57 1.896 -18.144 16.234 1.00 60.67 C +ATOM 388 CG GLU A 57 0.374 -18.381 16.482 1.00 64.39 C +ATOM 389 CD GLU A 57 -0.299 -19.375 15.516 1.00 66.08 C +ATOM 390 OE1 GLU A 57 0.220 -20.498 15.323 1.00 65.60 O +ATOM 391 OE2 GLU A 57 -1.371 -19.035 14.964 1.00 65.71 O +ATOM 392 N ASP A 58 0.321 -16.897 13.599 1.00 56.44 N +ATOM 393 CA ASP A 58 -0.733 -15.994 13.123 1.00 55.90 C +ATOM 394 C ASP A 58 -0.325 -14.965 12.059 1.00 54.64 C +ATOM 395 O ASP A 58 -1.167 -14.464 11.325 1.00 53.92 O +ATOM 396 CB ASP A 58 -1.386 -15.290 14.317 1.00 57.98 C +ATOM 397 CG ASP A 58 -2.016 -16.276 15.306 1.00 60.37 C +ATOM 398 OD1 ASP A 58 -2.845 -17.115 14.880 1.00 58.97 O +ATOM 399 OD2 ASP A 58 -1.679 -16.209 16.511 1.00 61.91 O +ATOM 400 N SER A 59 0.969 -14.664 11.979 1.00 54.34 N +ATOM 401 CA SER A 59 1.526 -13.730 11.001 1.00 51.35 C +ATOM 402 C SER A 59 1.175 -14.134 9.569 1.00 50.46 C +ATOM 403 O SER A 59 0.865 -15.301 9.295 1.00 50.99 O +ATOM 404 CB SER A 59 3.025 -13.745 11.115 1.00 51.31 C +ATOM 405 OG SER A 59 3.472 -15.047 10.786 1.00 50.24 O +ATOM 406 N PRO A 60 1.244 -13.181 8.624 1.00 49.39 N +ATOM 407 CA PRO A 60 0.911 -13.546 7.242 1.00 49.45 C +ATOM 408 C PRO A 60 1.706 -14.743 6.666 1.00 49.43 C +ATOM 409 O PRO A 60 1.121 -15.638 6.045 1.00 49.68 O +ATOM 410 CB PRO A 60 1.089 -12.223 6.468 1.00 48.04 C +ATOM 411 CG PRO A 60 1.814 -11.303 7.417 1.00 47.45 C +ATOM 412 CD PRO A 60 1.376 -11.722 8.774 1.00 47.98 C +ATOM 413 N ALA A 61 3.018 -14.781 6.882 1.00 48.34 N +ATOM 414 CA ALA A 61 3.820 -15.904 6.405 1.00 47.99 C +ATOM 415 C ALA A 61 3.260 -17.213 6.927 1.00 48.20 C +ATOM 416 O ALA A 61 3.252 -18.213 6.224 1.00 49.37 O +ATOM 417 CB ALA A 61 5.249 -15.763 6.857 1.00 49.40 C +ATOM 418 N HIS A 62 2.808 -17.220 8.175 1.00 50.44 N +ATOM 419 CA HIS A 62 2.241 -18.439 8.732 1.00 52.21 C +ATOM 420 C HIS A 62 0.998 -18.756 7.931 1.00 52.92 C +ATOM 421 O HIS A 62 0.849 -19.868 7.402 1.00 53.29 O +ATOM 422 CB HIS A 62 1.842 -18.282 10.202 1.00 53.65 C +ATOM 423 CG HIS A 62 1.358 -19.561 10.825 1.00 56.86 C +ATOM 424 ND1 HIS A 62 0.487 -19.593 11.894 1.00 58.85 N +ATOM 425 CD2 HIS A 62 1.632 -20.856 10.528 1.00 57.07 C +ATOM 426 CE1 HIS A 62 0.246 -20.850 12.228 1.00 57.80 C +ATOM 427 NE2 HIS A 62 0.928 -21.637 11.415 1.00 56.69 N +ATOM 428 N CYS A 63 0.105 -17.772 7.842 1.00 50.76 N +ATOM 429 CA CYS A 63 -1.125 -17.961 7.093 1.00 50.34 C +ATOM 430 C CYS A 63 -0.891 -18.396 5.635 1.00 48.49 C +ATOM 431 O CYS A 63 -1.656 -19.176 5.087 1.00 48.94 O +ATOM 432 CB CYS A 63 -1.969 -16.683 7.132 1.00 51.80 C +ATOM 433 SG CYS A 63 -2.927 -16.451 8.661 1.00 56.41 S +ATOM 434 N ALA A 64 0.163 -17.912 5.001 1.00 45.37 N +ATOM 435 CA ALA A 64 0.382 -18.304 3.628 1.00 44.40 C +ATOM 436 C ALA A 64 0.706 -19.789 3.533 1.00 44.37 C +ATOM 437 O ALA A 64 0.579 -20.397 2.474 1.00 43.10 O +ATOM 438 CB ALA A 64 1.501 -17.485 3.028 1.00 45.22 C +ATOM 439 N GLY A 65 1.125 -20.373 4.645 1.00 43.56 N +ATOM 440 CA GLY A 65 1.465 -21.774 4.625 1.00 43.71 C +ATOM 441 C GLY A 65 2.960 -21.981 4.605 1.00 45.20 C +ATOM 442 O GLY A 65 3.447 -22.974 4.073 1.00 44.58 O +ATOM 443 N LEU A 66 3.699 -21.039 5.181 1.00 46.67 N +ATOM 444 CA LEU A 66 5.157 -21.147 5.227 1.00 47.66 C +ATOM 445 C LEU A 66 5.645 -21.840 6.490 1.00 48.29 C +ATOM 446 O LEU A 66 5.105 -21.632 7.563 1.00 49.01 O +ATOM 447 CB LEU A 66 5.786 -19.763 5.157 1.00 47.60 C +ATOM 448 CG LEU A 66 5.770 -19.078 3.798 1.00 48.29 C +ATOM 449 CD1 LEU A 66 6.573 -17.767 3.898 1.00 48.63 C +ATOM 450 CD2 LEU A 66 6.379 -20.017 2.750 1.00 45.62 C +ATOM 451 N GLN A 67 6.687 -22.645 6.389 1.00 48.97 N +ATOM 452 CA GLN A 67 7.162 -23.306 7.593 1.00 49.71 C +ATOM 453 C GLN A 67 8.659 -23.184 7.819 1.00 48.01 C +ATOM 454 O GLN A 67 9.427 -23.142 6.865 1.00 48.62 O +ATOM 455 CB GLN A 67 6.790 -24.777 7.549 1.00 52.61 C +ATOM 456 CG GLN A 67 5.316 -25.055 7.437 1.00 53.71 C +ATOM 457 CD GLN A 67 5.001 -26.472 7.859 1.00 54.91 C +ATOM 458 OE1 GLN A 67 4.989 -26.776 9.054 1.00 56.01 O +ATOM 459 NE2 GLN A 67 4.770 -27.358 6.885 1.00 55.27 N +ATOM 460 N ALA A 68 9.075 -23.154 9.083 1.00 45.75 N +ATOM 461 CA ALA A 68 10.500 -23.053 9.409 1.00 43.42 C +ATOM 462 C ALA A 68 11.201 -24.304 8.910 1.00 41.63 C +ATOM 463 O ALA A 68 10.888 -25.401 9.342 1.00 43.85 O +ATOM 464 CB ALA A 68 10.689 -22.907 10.896 1.00 44.22 C +ATOM 465 N GLY A 69 12.153 -24.120 8.006 1.00 39.03 N +ATOM 466 CA GLY A 69 12.856 -25.224 7.412 1.00 36.94 C +ATOM 467 C GLY A 69 12.736 -25.049 5.912 1.00 40.10 C +ATOM 468 O GLY A 69 13.533 -25.602 5.137 1.00 38.90 O +ATOM 469 N ASP A 70 11.729 -24.271 5.495 1.00 41.13 N +ATOM 470 CA ASP A 70 11.486 -24.001 4.078 1.00 41.34 C +ATOM 471 C ASP A 70 12.723 -23.358 3.454 1.00 40.93 C +ATOM 472 O ASP A 70 13.312 -22.457 4.058 1.00 40.92 O +ATOM 473 CB ASP A 70 10.303 -23.046 3.903 1.00 44.76 C +ATOM 474 CG ASP A 70 8.965 -23.765 3.787 1.00 48.62 C +ATOM 475 OD1 ASP A 70 8.935 -24.818 3.109 1.00 51.72 O +ATOM 476 OD2 ASP A 70 7.945 -23.271 4.347 1.00 47.90 O +ATOM 477 N VAL A 71 13.116 -23.802 2.256 1.00 38.79 N +ATOM 478 CA VAL A 71 14.278 -23.213 1.607 1.00 39.75 C +ATOM 479 C VAL A 71 13.918 -22.296 0.451 1.00 39.73 C +ATOM 480 O VAL A 71 13.363 -22.725 -0.551 1.00 41.50 O +ATOM 481 CB VAL A 71 15.261 -24.273 1.072 1.00 40.55 C +ATOM 482 CG1 VAL A 71 16.376 -23.576 0.267 1.00 39.21 C +ATOM 483 CG2 VAL A 71 15.876 -25.051 2.227 1.00 40.26 C +ATOM 484 N LEU A 72 14.274 -21.029 0.596 1.00 37.84 N +ATOM 485 CA LEU A 72 13.995 -20.009 -0.405 1.00 35.81 C +ATOM 486 C LEU A 72 14.772 -20.150 -1.719 1.00 34.42 C +ATOM 487 O LEU A 72 15.944 -19.816 -1.778 1.00 35.65 O +ATOM 488 CB LEU A 72 14.263 -18.635 0.221 1.00 33.50 C +ATOM 489 CG LEU A 72 13.107 -17.948 0.962 1.00 30.84 C +ATOM 490 CD1 LEU A 72 12.079 -18.911 1.463 1.00 27.97 C +ATOM 491 CD2 LEU A 72 13.688 -17.162 2.074 1.00 30.96 C +ATOM 492 N ALA A 73 14.107 -20.618 -2.771 1.00 32.37 N +ATOM 493 CA ALA A 73 14.744 -20.785 -4.084 1.00 32.22 C +ATOM 494 C ALA A 73 14.343 -19.684 -5.063 1.00 31.42 C +ATOM 495 O ALA A 73 15.127 -19.242 -5.891 1.00 31.80 O +ATOM 496 CB ALA A 73 14.382 -22.122 -4.667 1.00 33.26 C +ATOM 497 N ASN A 74 13.103 -19.238 -4.972 1.00 31.27 N +ATOM 498 CA ASN A 74 12.660 -18.186 -5.854 1.00 27.84 C +ATOM 499 C ASN A 74 11.862 -17.126 -5.179 1.00 25.50 C +ATOM 500 O ASN A 74 10.916 -17.417 -4.463 1.00 26.26 O +ATOM 501 CB ASN A 74 11.867 -18.764 -7.012 1.00 28.60 C +ATOM 502 CG ASN A 74 12.760 -19.179 -8.149 1.00 31.64 C +ATOM 503 OD1 ASN A 74 13.475 -18.354 -8.699 1.00 34.18 O +ATOM 504 ND2 ASN A 74 12.740 -20.459 -8.503 1.00 30.80 N +ATOM 505 N ILE A 75 12.261 -15.882 -5.383 1.00 23.51 N +ATOM 506 CA ILE A 75 11.488 -14.801 -4.820 1.00 24.66 C +ATOM 507 C ILE A 75 11.047 -13.900 -5.929 1.00 23.69 C +ATOM 508 O ILE A 75 11.862 -13.444 -6.696 1.00 26.14 O +ATOM 509 CB ILE A 75 12.262 -14.023 -3.814 1.00 25.34 C +ATOM 510 CG1 ILE A 75 12.329 -14.834 -2.509 1.00 26.73 C +ATOM 511 CG2 ILE A 75 11.580 -12.700 -3.594 1.00 27.73 C +ATOM 512 CD1 ILE A 75 13.481 -14.437 -1.600 1.00 24.71 C +ATOM 513 N ASN A 76 9.749 -13.649 -6.007 1.00 22.92 N +ATOM 514 CA ASN A 76 9.182 -12.822 -7.069 1.00 22.02 C +ATOM 515 C ASN A 76 9.791 -13.141 -8.410 1.00 23.74 C +ATOM 516 O ASN A 76 10.139 -12.228 -9.166 1.00 24.53 O +ATOM 517 CB ASN A 76 9.393 -11.359 -6.782 1.00 20.12 C +ATOM 518 CG ASN A 76 8.778 -10.947 -5.492 1.00 18.72 C +ATOM 519 OD1 ASN A 76 9.121 -9.922 -4.934 1.00 20.28 O +ATOM 520 ND2 ASN A 76 7.860 -11.746 -5.003 1.00 21.33 N +ATOM 521 N GLY A 77 9.933 -14.436 -8.692 1.00 24.16 N +ATOM 522 CA GLY A 77 10.474 -14.870 -9.967 1.00 27.95 C +ATOM 523 C GLY A 77 11.974 -14.671 -10.066 1.00 30.59 C +ATOM 524 O GLY A 77 12.566 -14.656 -11.143 1.00 31.71 O +ATOM 525 N VAL A 78 12.607 -14.527 -8.922 1.00 30.27 N +ATOM 526 CA VAL A 78 14.027 -14.318 -8.928 1.00 30.57 C +ATOM 527 C VAL A 78 14.766 -15.457 -8.233 1.00 32.07 C +ATOM 528 O VAL A 78 14.610 -15.675 -7.032 1.00 34.44 O +ATOM 529 CB VAL A 78 14.348 -12.950 -8.288 1.00 28.52 C +ATOM 530 CG1 VAL A 78 15.823 -12.705 -8.278 1.00 29.09 C +ATOM 531 CG2 VAL A 78 13.650 -11.846 -9.088 1.00 28.84 C +ATOM 532 N SER A 79 15.531 -16.218 -9.010 1.00 32.55 N +ATOM 533 CA SER A 79 16.323 -17.298 -8.445 1.00 34.21 C +ATOM 534 C SER A 79 17.282 -16.692 -7.403 1.00 36.69 C +ATOM 535 O SER A 79 17.972 -15.683 -7.643 1.00 34.40 O +ATOM 536 CB SER A 79 17.131 -18.013 -9.538 1.00 33.90 C +ATOM 537 OG SER A 79 17.896 -19.060 -8.972 1.00 29.94 O +ATOM 538 N THR A 80 17.343 -17.325 -6.248 1.00 38.24 N +ATOM 539 CA THR A 80 18.177 -16.796 -5.205 1.00 42.21 C +ATOM 540 C THR A 80 19.530 -17.424 -4.955 1.00 45.08 C +ATOM 541 O THR A 80 20.141 -17.114 -3.931 1.00 45.79 O +ATOM 542 CB THR A 80 17.431 -16.825 -3.886 1.00 40.89 C +ATOM 543 OG1 THR A 80 17.013 -18.172 -3.633 1.00 39.17 O +ATOM 544 CG2 THR A 80 16.221 -15.901 -3.933 1.00 38.52 C +ATOM 545 N GLU A 81 20.050 -18.278 -5.831 1.00 48.64 N +ATOM 546 CA GLU A 81 21.340 -18.831 -5.440 1.00 51.33 C +ATOM 547 C GLU A 81 22.516 -17.920 -5.658 1.00 49.69 C +ATOM 548 O GLU A 81 22.559 -17.134 -6.611 1.00 48.81 O +ATOM 549 CB GLU A 81 21.661 -20.170 -6.083 1.00 57.16 C +ATOM 550 CG GLU A 81 22.788 -20.837 -5.264 1.00 65.03 C +ATOM 551 CD GLU A 81 23.636 -21.821 -6.055 1.00 70.17 C +ATOM 552 OE1 GLU A 81 23.108 -22.905 -6.422 1.00 73.32 O +ATOM 553 OE2 GLU A 81 24.829 -21.504 -6.307 1.00 70.95 O +ATOM 554 N GLY A 82 23.486 -18.069 -4.763 1.00 47.95 N +ATOM 555 CA GLY A 82 24.681 -17.252 -4.794 1.00 46.37 C +ATOM 556 C GLY A 82 24.360 -15.974 -4.043 1.00 45.12 C +ATOM 557 O GLY A 82 25.187 -15.089 -3.871 1.00 48.62 O +ATOM 558 N PHE A 83 23.123 -15.876 -3.594 1.00 40.97 N +ATOM 559 CA PHE A 83 22.682 -14.713 -2.866 1.00 36.27 C +ATOM 560 C PHE A 83 23.252 -14.611 -1.464 1.00 33.42 C +ATOM 561 O PHE A 83 23.253 -15.571 -0.700 1.00 32.50 O +ATOM 562 CB PHE A 83 21.150 -14.724 -2.783 1.00 34.78 C +ATOM 563 CG PHE A 83 20.468 -14.063 -3.948 1.00 31.70 C +ATOM 564 CD1 PHE A 83 21.009 -14.136 -5.225 1.00 29.80 C +ATOM 565 CD2 PHE A 83 19.247 -13.400 -3.769 1.00 31.43 C +ATOM 566 CE1 PHE A 83 20.342 -13.565 -6.317 1.00 28.84 C +ATOM 567 CE2 PHE A 83 18.572 -12.831 -4.844 1.00 28.55 C +ATOM 568 CZ PHE A 83 19.122 -12.915 -6.123 1.00 28.69 C +ATOM 569 N THR A 84 23.720 -13.426 -1.117 1.00 31.44 N +ATOM 570 CA THR A 84 24.207 -13.195 0.239 1.00 28.78 C +ATOM 571 C THR A 84 22.935 -12.893 1.042 1.00 26.79 C +ATOM 572 O THR A 84 21.945 -12.458 0.468 1.00 25.13 O +ATOM 573 CB THR A 84 25.064 -11.963 0.304 1.00 28.86 C +ATOM 574 OG1 THR A 84 24.246 -10.828 -0.004 1.00 31.84 O +ATOM 575 CG2 THR A 84 26.196 -12.033 -0.709 1.00 28.18 C +ATOM 576 N TYR A 85 22.961 -13.143 2.350 1.00 25.96 N +ATOM 577 CA TYR A 85 21.835 -12.868 3.246 1.00 25.06 C +ATOM 578 C TYR A 85 21.186 -11.495 3.000 1.00 26.15 C +ATOM 579 O TYR A 85 19.970 -11.373 2.972 1.00 25.65 O +ATOM 580 CB TYR A 85 22.331 -12.883 4.681 1.00 27.85 C +ATOM 581 CG TYR A 85 21.273 -12.675 5.736 1.00 29.46 C +ATOM 582 CD1 TYR A 85 20.653 -13.767 6.324 1.00 31.64 C +ATOM 583 CD2 TYR A 85 20.914 -11.410 6.170 1.00 28.04 C +ATOM 584 CE1 TYR A 85 19.703 -13.624 7.326 1.00 32.76 C +ATOM 585 CE2 TYR A 85 19.957 -11.245 7.182 1.00 31.59 C +ATOM 586 CZ TYR A 85 19.355 -12.373 7.756 1.00 34.01 C +ATOM 587 OH TYR A 85 18.401 -12.293 8.763 1.00 37.49 O +ATOM 588 N LYS A 86 22.024 -10.473 2.840 1.00 26.08 N +ATOM 589 CA LYS A 86 21.600 -9.107 2.616 1.00 27.37 C +ATOM 590 C LYS A 86 20.884 -8.887 1.281 1.00 29.63 C +ATOM 591 O LYS A 86 19.974 -8.048 1.184 1.00 29.07 O +ATOM 592 CB LYS A 86 22.806 -8.186 2.721 1.00 29.16 C +ATOM 593 CG LYS A 86 22.559 -6.771 2.241 1.00 31.02 C +ATOM 594 CD LYS A 86 23.781 -5.930 2.438 1.00 34.39 C +ATOM 595 CE LYS A 86 23.702 -4.648 1.646 1.00 35.69 C +ATOM 596 NZ LYS A 86 22.401 -3.997 1.880 1.00 39.16 N +ATOM 597 N GLN A 87 21.297 -9.607 0.238 1.00 29.44 N +ATOM 598 CA GLN A 87 20.600 -9.483 -1.043 1.00 27.82 C +ATOM 599 C GLN A 87 19.171 -10.013 -0.843 1.00 26.72 C +ATOM 600 O GLN A 87 18.189 -9.354 -1.221 1.00 27.91 O +ATOM 601 CB GLN A 87 21.330 -10.263 -2.138 1.00 25.57 C +ATOM 602 CG GLN A 87 22.719 -9.721 -2.348 1.00 27.64 C +ATOM 603 CD GLN A 87 23.475 -10.439 -3.424 1.00 26.18 C +ATOM 604 OE1 GLN A 87 23.683 -9.910 -4.527 1.00 24.64 O +ATOM 605 NE2 GLN A 87 23.893 -11.658 -3.117 1.00 26.64 N +ATOM 606 N VAL A 88 19.058 -11.175 -0.219 1.00 22.99 N +ATOM 607 CA VAL A 88 17.755 -11.751 0.031 1.00 24.71 C +ATOM 608 C VAL A 88 16.908 -10.747 0.802 1.00 25.44 C +ATOM 609 O VAL A 88 15.744 -10.537 0.474 1.00 25.29 O +ATOM 610 CB VAL A 88 17.880 -13.074 0.831 1.00 24.79 C +ATOM 611 CG1 VAL A 88 16.514 -13.701 1.061 1.00 20.27 C +ATOM 612 CG2 VAL A 88 18.788 -14.023 0.074 1.00 21.63 C +ATOM 613 N VAL A 89 17.493 -10.108 1.813 1.00 25.96 N +ATOM 614 CA VAL A 89 16.752 -9.119 2.602 1.00 27.64 C +ATOM 615 C VAL A 89 16.416 -7.848 1.763 1.00 30.31 C +ATOM 616 O VAL A 89 15.293 -7.301 1.802 1.00 28.19 O +ATOM 617 CB VAL A 89 17.537 -8.740 3.873 1.00 26.21 C +ATOM 618 CG1 VAL A 89 16.816 -7.653 4.611 1.00 29.88 C +ATOM 619 CG2 VAL A 89 17.646 -9.944 4.794 1.00 25.34 C +ATOM 620 N ASP A 90 17.391 -7.378 0.998 1.00 29.99 N +ATOM 621 CA ASP A 90 17.141 -6.228 0.178 1.00 29.22 C +ATOM 622 C ASP A 90 16.020 -6.556 -0.836 1.00 31.34 C +ATOM 623 O ASP A 90 15.109 -5.759 -1.049 1.00 32.80 O +ATOM 624 CB ASP A 90 18.428 -5.792 -0.538 1.00 27.37 C +ATOM 625 CG ASP A 90 19.458 -5.145 0.411 1.00 27.47 C +ATOM 626 OD1 ASP A 90 19.082 -4.704 1.502 1.00 25.91 O +ATOM 627 OD2 ASP A 90 20.654 -5.052 0.060 1.00 28.21 O +ATOM 628 N LEU A 91 16.057 -7.726 -1.459 1.00 32.00 N +ATOM 629 CA LEU A 91 15.020 -8.032 -2.432 1.00 32.31 C +ATOM 630 C LEU A 91 13.656 -8.063 -1.751 1.00 32.39 C +ATOM 631 O LEU A 91 12.709 -7.455 -2.248 1.00 32.66 O +ATOM 632 CB LEU A 91 15.288 -9.377 -3.104 1.00 34.48 C +ATOM 633 CG LEU A 91 14.748 -9.658 -4.513 1.00 35.54 C +ATOM 634 CD1 LEU A 91 15.078 -11.080 -4.832 1.00 37.37 C +ATOM 635 CD2 LEU A 91 13.250 -9.466 -4.627 1.00 38.90 C +ATOM 636 N ILE A 92 13.546 -8.779 -0.628 1.00 30.67 N +ATOM 637 CA ILE A 92 12.283 -8.840 0.105 1.00 27.90 C +ATOM 638 C ILE A 92 11.761 -7.438 0.448 1.00 29.22 C +ATOM 639 O ILE A 92 10.562 -7.203 0.363 1.00 32.19 O +ATOM 640 CB ILE A 92 12.413 -9.662 1.414 1.00 28.33 C +ATOM 641 CG1 ILE A 92 12.662 -11.149 1.089 1.00 26.26 C +ATOM 642 CG2 ILE A 92 11.166 -9.445 2.284 1.00 21.60 C +ATOM 643 CD1 ILE A 92 12.885 -12.029 2.293 1.00 25.24 C +ATOM 644 N ARG A 93 12.631 -6.510 0.848 1.00 28.93 N +ATOM 645 CA ARG A 93 12.188 -5.137 1.124 1.00 29.73 C +ATOM 646 C ARG A 93 11.837 -4.435 -0.203 1.00 28.99 C +ATOM 647 O ARG A 93 11.070 -3.484 -0.251 1.00 28.93 O +ATOM 648 CB ARG A 93 13.284 -4.346 1.803 1.00 33.91 C +ATOM 649 CG ARG A 93 13.679 -4.831 3.185 1.00 41.77 C +ATOM 650 CD ARG A 93 14.815 -3.950 3.695 1.00 45.72 C +ATOM 651 NE ARG A 93 14.465 -2.530 3.617 1.00 47.24 N +ATOM 652 CZ ARG A 93 13.639 -1.930 4.472 1.00 49.55 C +ATOM 653 NH1 ARG A 93 13.360 -0.635 4.338 1.00 48.05 N +ATOM 654 NH2 ARG A 93 13.106 -2.630 5.479 1.00 50.15 N +ATOM 655 N SER A 94 12.408 -4.903 -1.294 1.00 27.41 N +ATOM 656 CA SER A 94 12.094 -4.308 -2.568 1.00 28.48 C +ATOM 657 C SER A 94 10.645 -4.646 -2.963 1.00 29.67 C +ATOM 658 O SER A 94 10.113 -4.053 -3.904 1.00 30.49 O +ATOM 659 CB SER A 94 13.059 -4.830 -3.654 1.00 27.93 C +ATOM 660 OG SER A 94 12.618 -6.059 -4.230 1.00 26.50 O +ATOM 661 N SER A 95 10.011 -5.569 -2.237 1.00 28.67 N +ATOM 662 CA SER A 95 8.661 -6.009 -2.563 1.00 31.10 C +ATOM 663 C SER A 95 7.482 -5.370 -1.874 1.00 30.78 C +ATOM 664 O SER A 95 6.368 -5.867 -2.004 1.00 30.16 O +ATOM 665 CB SER A 95 8.527 -7.521 -2.382 1.00 33.45 C +ATOM 666 OG SER A 95 9.410 -8.212 -3.250 1.00 40.14 O +ATOM 667 N GLY A 96 7.696 -4.296 -1.138 1.00 29.88 N +ATOM 668 CA GLY A 96 6.565 -3.650 -0.517 1.00 30.70 C +ATOM 669 C GLY A 96 5.793 -4.617 0.339 1.00 31.77 C +ATOM 670 O GLY A 96 6.390 -5.408 1.060 1.00 34.13 O +ATOM 671 N ASN A 97 4.472 -4.574 0.276 1.00 31.41 N +ATOM 672 CA ASN A 97 3.687 -5.481 1.098 1.00 32.51 C +ATOM 673 C ASN A 97 3.277 -6.761 0.391 1.00 32.38 C +ATOM 674 O ASN A 97 2.407 -7.466 0.855 1.00 35.42 O +ATOM 675 CB ASN A 97 2.447 -4.755 1.618 1.00 34.16 C +ATOM 676 CG ASN A 97 2.798 -3.465 2.308 1.00 37.78 C +ATOM 677 OD1 ASN A 97 3.642 -3.455 3.216 1.00 38.98 O +ATOM 678 ND2 ASN A 97 2.166 -2.359 1.887 1.00 37.40 N +ATOM 679 N LEU A 98 3.915 -7.080 -0.720 1.00 31.72 N +ATOM 680 CA LEU A 98 3.561 -8.273 -1.473 1.00 30.24 C +ATOM 681 C LEU A 98 4.799 -9.138 -1.650 1.00 30.07 C +ATOM 682 O LEU A 98 5.909 -8.639 -1.788 1.00 32.94 O +ATOM 683 CB LEU A 98 2.992 -7.850 -2.826 1.00 31.92 C +ATOM 684 CG LEU A 98 2.486 -8.937 -3.760 1.00 34.60 C +ATOM 685 CD1 LEU A 98 1.583 -9.914 -3.006 1.00 37.37 C +ATOM 686 CD2 LEU A 98 1.743 -8.287 -4.889 1.00 34.42 C +ATOM 687 N LEU A 99 4.630 -10.444 -1.644 1.00 30.21 N +ATOM 688 CA LEU A 99 5.794 -11.304 -1.782 1.00 29.58 C +ATOM 689 C LEU A 99 5.402 -12.655 -2.367 1.00 28.68 C +ATOM 690 O LEU A 99 4.417 -13.242 -1.960 1.00 28.95 O +ATOM 691 CB LEU A 99 6.423 -11.497 -0.399 1.00 29.55 C +ATOM 692 CG LEU A 99 7.870 -11.961 -0.241 1.00 31.09 C +ATOM 693 CD1 LEU A 99 8.790 -10.842 -0.705 1.00 32.96 C +ATOM 694 CD2 LEU A 99 8.177 -12.276 1.227 1.00 30.75 C +ATOM 695 N THR A 100 6.138 -13.138 -3.348 1.00 27.28 N +ATOM 696 CA THR A 100 5.827 -14.451 -3.870 1.00 28.66 C +ATOM 697 C THR A 100 7.066 -15.295 -3.651 1.00 28.47 C +ATOM 698 O THR A 100 8.184 -14.873 -3.940 1.00 27.43 O +ATOM 699 CB THR A 100 5.457 -14.456 -5.368 1.00 30.18 C +ATOM 700 OG1 THR A 100 4.165 -13.863 -5.554 1.00 30.04 O +ATOM 701 CG2 THR A 100 5.418 -15.898 -5.886 1.00 27.26 C +ATOM 702 N ILE A 101 6.852 -16.504 -3.156 1.00 28.63 N +ATOM 703 CA ILE A 101 7.955 -17.372 -2.840 1.00 28.59 C +ATOM 704 C ILE A 101 7.825 -18.821 -3.246 1.00 29.88 C +ATOM 705 O ILE A 101 6.863 -19.465 -2.895 1.00 30.75 O +ATOM 706 CB ILE A 101 8.195 -17.383 -1.320 1.00 26.99 C +ATOM 707 CG1 ILE A 101 7.965 -16.001 -0.703 1.00 24.03 C +ATOM 708 CG2 ILE A 101 9.589 -17.808 -1.056 1.00 30.51 C +ATOM 709 CD1 ILE A 101 8.459 -15.878 0.751 1.00 19.91 C +ATOM 710 N GLU A 102 8.804 -19.326 -3.985 1.00 33.35 N +ATOM 711 CA GLU A 102 8.847 -20.740 -4.341 1.00 37.02 C +ATOM 712 C GLU A 102 9.931 -21.328 -3.399 1.00 39.16 C +ATOM 713 O GLU A 102 11.113 -20.986 -3.483 1.00 36.79 O +ATOM 714 CB GLU A 102 9.245 -20.932 -5.804 1.00 38.42 C +ATOM 715 CG GLU A 102 9.469 -22.394 -6.195 1.00 43.20 C +ATOM 716 CD GLU A 102 9.590 -22.611 -7.709 1.00 49.07 C +ATOM 717 OE1 GLU A 102 10.396 -21.911 -8.375 1.00 50.94 O +ATOM 718 OE2 GLU A 102 8.877 -23.494 -8.239 1.00 51.23 O +ATOM 719 N THR A 103 9.522 -22.202 -2.490 1.00 41.06 N +ATOM 720 CA THR A 103 10.473 -22.762 -1.543 1.00 45.03 C +ATOM 721 C THR A 103 10.934 -24.156 -1.845 1.00 48.22 C +ATOM 722 O THR A 103 10.743 -24.679 -2.925 1.00 49.20 O +ATOM 723 CB THR A 103 9.902 -22.867 -0.129 1.00 44.11 C +ATOM 724 OG1 THR A 103 9.037 -24.004 -0.076 1.00 41.09 O +ATOM 725 CG2 THR A 103 9.127 -21.615 0.257 1.00 46.03 C +ATOM 726 N LEU A 104 11.528 -24.736 -0.808 1.00 53.13 N +ATOM 727 CA LEU A 104 12.064 -26.099 -0.758 1.00 55.52 C +ATOM 728 C LEU A 104 12.313 -26.424 0.727 1.00 56.01 C +ATOM 729 O LEU A 104 13.495 -26.524 1.124 1.00 56.10 O +ATOM 730 CB LEU A 104 13.378 -26.194 -1.522 1.00 55.58 C +ATOM 731 CG LEU A 104 13.243 -26.197 -3.030 1.00 56.29 C +ATOM 732 CD1 LEU A 104 14.642 -26.092 -3.668 1.00 56.70 C +ATOM 733 CD2 LEU A 104 12.504 -27.474 -3.445 1.00 53.59 C +ATOM 734 OXT LEU A 104 11.321 -26.551 1.484 1.00 56.86 O Added: SwiftApps/modFTdock/input/3brt-2.pdb =================================================================== --- SwiftApps/modFTdock/input/3brt-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/3brt-2.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,798 @@ +ATOM 1 N SER A 705 -11.087 -4.860 -7.336 1.00 36.93 N +ATOM 2 CA SER A 705 -11.846 -3.574 -7.352 1.00 37.33 C +ATOM 3 C SER A 705 -13.298 -3.783 -6.932 1.00 37.32 C +ATOM 4 O SER A 705 -14.211 -3.490 -7.723 1.00 37.62 O +ATOM 5 CB SER A 705 -11.807 -2.978 -8.760 1.00 37.28 C +ATOM 6 OG SER A 705 -12.965 -2.193 -9.021 1.00 37.60 O +ATOM 7 N GLU A 706 -13.549 -4.083 -5.656 1.00 37.05 N +ATOM 8 CA GLU A 706 -13.004 -3.287 -4.561 1.00 36.64 C +ATOM 9 C GLU A 706 -11.870 -3.811 -3.676 1.00 36.46 C +ATOM 10 O GLU A 706 -11.799 -3.495 -2.486 1.00 36.03 O +ATOM 11 CB GLU A 706 -14.181 -2.699 -3.731 1.00 36.78 C +ATOM 12 CG GLU A 706 -14.982 -3.759 -2.894 1.00 35.83 C +ATOM 13 CD GLU A 706 -14.619 -3.573 -1.370 1.00 34.91 C +ATOM 14 OE1 GLU A 706 -14.980 -4.510 -0.511 1.00 33.03 O +ATOM 15 OE2 GLU A 706 -13.996 -2.497 -1.017 1.00 31.72 O +ATOM 16 N GLU A 707 -10.959 -4.578 -4.256 1.00 36.60 N +ATOM 17 CA GLU A 707 -9.650 -4.729 -3.640 1.00 36.94 C +ATOM 18 C GLU A 707 -8.986 -3.343 -3.710 1.00 37.41 C +ATOM 19 O GLU A 707 -8.377 -2.890 -2.733 1.00 37.62 O +ATOM 20 CB GLU A 707 -8.810 -5.722 -4.413 1.00 36.79 C +ATOM 21 CG GLU A 707 -9.441 -7.086 -4.549 1.00 38.56 C +ATOM 22 CD GLU A 707 -8.398 -8.174 -4.618 1.00 39.62 C +ATOM 23 OE1 GLU A 707 -8.512 -9.075 -5.494 1.00 41.09 O +ATOM 24 OE2 GLU A 707 -7.458 -8.115 -3.789 1.00 40.67 O +ATOM 25 N LEU A 708 -9.121 -2.709 -4.884 1.00 36.94 N +ATOM 26 CA LEU A 708 -8.653 -1.360 -5.164 1.00 37.53 C +ATOM 27 C LEU A 708 -9.193 -0.357 -4.173 1.00 37.97 C +ATOM 28 O LEU A 708 -8.415 0.371 -3.575 1.00 39.74 O +ATOM 29 CB LEU A 708 -9.033 -0.909 -6.586 1.00 36.53 C +ATOM 30 CG LEU A 708 -8.182 -1.498 -7.707 1.00 35.66 C +ATOM 31 CD1 LEU A 708 -8.632 -1.006 -9.066 1.00 33.92 C +ATOM 32 CD2 LEU A 708 -6.714 -1.185 -7.503 1.00 35.42 C +ATOM 33 N VAL A 709 -10.513 -0.317 -4.011 1.00 37.32 N +ATOM 34 CA VAL A 709 -11.154 0.629 -3.113 1.00 36.45 C +ATOM 35 C VAL A 709 -10.698 0.436 -1.672 1.00 36.63 C +ATOM 36 O VAL A 709 -10.607 1.388 -0.923 1.00 37.77 O +ATOM 37 CB VAL A 709 -12.696 0.543 -3.223 1.00 36.38 C +ATOM 38 CG1 VAL A 709 -13.395 1.270 -2.077 1.00 34.44 C +ATOM 39 CG2 VAL A 709 -13.136 1.112 -4.566 1.00 36.14 C +ATOM 40 N ALA A 710 -10.399 -0.790 -1.279 1.00 35.95 N +ATOM 41 CA ALA A 710 -9.931 -1.042 0.079 1.00 35.27 C +ATOM 42 C ALA A 710 -8.459 -0.688 0.180 1.00 34.67 C +ATOM 43 O ALA A 710 -8.011 -0.195 1.196 1.00 34.47 O +ATOM 44 CB ALA A 710 -10.161 -2.478 0.469 1.00 34.64 C +ATOM 45 N GLU A 711 -7.715 -0.914 -0.898 1.00 34.71 N +ATOM 46 CA GLU A 711 -6.291 -0.610 -0.913 1.00 35.08 C +ATOM 47 C GLU A 711 -6.068 0.896 -0.863 1.00 34.53 C +ATOM 48 O GLU A 711 -5.116 1.333 -0.272 1.00 34.81 O +ATOM 49 CB GLU A 711 -5.595 -1.226 -2.136 1.00 35.65 C +ATOM 50 N ALA A 712 -6.979 1.673 -1.429 1.00 33.62 N +ATOM 51 CA ALA A 712 -6.828 3.104 -1.453 1.00 34.94 C +ATOM 52 C ALA A 712 -7.088 3.710 -0.075 1.00 35.28 C +ATOM 53 O ALA A 712 -6.362 4.642 0.316 1.00 35.89 O +ATOM 54 CB ALA A 712 -7.696 3.773 -2.568 1.00 32.40 C +ATOM 55 N HIS A 713 -8.084 3.195 0.656 1.00 34.99 N +ATOM 56 CA HIS A 713 -8.430 3.741 1.983 1.00 35.79 C +ATOM 57 C HIS A 713 -7.274 3.473 2.926 1.00 35.76 C +ATOM 58 O HIS A 713 -6.949 4.303 3.764 1.00 37.63 O +ATOM 59 CB HIS A 713 -9.782 3.195 2.493 1.00 36.73 C +ATOM 60 CG HIS A 713 -9.955 3.213 3.984 1.00 37.67 C +ATOM 61 ND1 HIS A 713 -10.452 4.304 4.665 1.00 39.27 N +ATOM 62 CD2 HIS A 713 -9.763 2.244 4.917 1.00 38.34 C +ATOM 63 CE1 HIS A 713 -10.529 4.019 5.956 1.00 39.32 C +ATOM 64 NE2 HIS A 713 -10.109 2.778 6.136 1.00 38.10 N +ATOM 65 N ASN A 714 -6.579 2.367 2.709 1.00 35.21 N +ATOM 66 CA ASN A 714 -5.452 1.979 3.550 1.00 34.20 C +ATOM 67 C ASN A 714 -4.202 2.745 3.251 1.00 33.60 C +ATOM 68 O ASN A 714 -3.474 3.134 4.179 1.00 34.81 O +ATOM 69 CB ASN A 714 -5.200 0.452 3.450 1.00 35.44 C +ATOM 70 N LEU A 715 -3.940 2.965 1.955 1.00 32.55 N +ATOM 71 CA LEU A 715 -2.873 3.860 1.482 1.00 29.83 C +ATOM 72 C LEU A 715 -3.068 5.253 2.088 1.00 28.58 C +ATOM 73 O LEU A 715 -2.133 5.862 2.582 1.00 27.18 O +ATOM 74 CB LEU A 715 -2.573 3.724 0.400 0.00 58.34 C +ATOM 75 N CYS A 716 -4.298 5.746 2.047 1.00 28.61 N +ATOM 76 CA CYS A 716 -4.638 7.059 2.598 1.00 29.30 C +ATOM 77 C CYS A 716 -4.429 7.151 4.096 1.00 29.57 C +ATOM 78 O CYS A 716 -3.942 8.167 4.572 1.00 27.91 O +ATOM 79 CB CYS A 716 -6.070 7.408 2.287 1.00 28.71 C +ATOM 80 SG CYS A 716 -6.302 7.969 0.614 1.00 35.93 S +ATOM 81 N THR A 717 -4.787 6.076 4.822 1.00 30.78 N +ATOM 82 CA THR A 717 -4.619 6.036 6.286 1.00 32.48 C +ATOM 83 C THR A 717 -3.156 6.115 6.728 1.00 33.15 C +ATOM 84 O THR A 717 -2.807 6.836 7.645 1.00 32.30 O +ATOM 85 CB THR A 717 -5.284 4.779 6.885 1.00 32.57 C +ATOM 86 OG1 THR A 717 -6.670 4.777 6.528 1.00 33.96 O +ATOM 87 CG2 THR A 717 -5.150 4.759 8.437 1.00 33.38 C +ATOM 88 N LEU A 718 -2.329 5.340 6.050 1.00 35.68 N +ATOM 89 CA LEU A 718 -0.873 5.340 6.143 1.00 38.35 C +ATOM 90 C LEU A 718 -0.316 6.693 5.847 1.00 39.65 C +ATOM 91 O LEU A 718 0.610 7.170 6.530 1.00 41.30 O +ATOM 92 CB LEU A 718 -0.349 4.396 5.045 1.00 38.83 C +ATOM 93 CG LEU A 718 1.026 3.716 5.059 1.00 44.29 C +ATOM 94 CD1 LEU A 718 1.387 3.111 3.681 1.00 45.43 C +ATOM 95 CD2 LEU A 718 2.058 4.754 5.436 1.00 49.22 C +ATOM 96 N LEU A 719 -0.818 7.312 4.777 1.00 39.93 N +ATOM 97 CA LEU A 719 -0.354 8.668 4.398 1.00 39.04 C +ATOM 98 C LEU A 719 -0.658 9.624 5.535 1.00 39.84 C +ATOM 99 O LEU A 719 0.228 10.415 5.897 1.00 41.39 O +ATOM 100 CB LEU A 719 -1.042 9.170 3.104 1.00 38.89 C +ATOM 101 CG LEU A 719 -0.737 10.625 2.656 1.00 38.05 C +ATOM 102 CD1 LEU A 719 0.719 10.793 2.418 1.00 33.70 C +ATOM 103 CD2 LEU A 719 -1.579 11.076 1.440 1.00 37.04 C +ATOM 104 N GLU A 720 -1.883 9.582 6.077 1.00 39.88 N +ATOM 105 CA GLU A 720 -2.297 10.590 7.098 1.00 42.16 C +ATOM 106 C GLU A 720 -1.477 10.436 8.392 1.00 42.90 C +ATOM 107 O GLU A 720 -1.079 11.421 9.007 1.00 42.27 O +ATOM 108 CB GLU A 720 -3.762 10.460 7.460 1.00 41.33 C +ATOM 109 CG GLU A 720 -4.700 10.323 6.291 1.00 44.33 C +ATOM 110 CD GLU A 720 -6.150 10.279 6.743 1.00 50.66 C +ATOM 111 OE1 GLU A 720 -6.570 11.245 7.428 1.00 55.30 O +ATOM 112 OE2 GLU A 720 -6.881 9.292 6.445 1.00 53.05 O +ATOM 113 N ASN A 721 -1.274 9.178 8.789 1.00 44.05 N +ATOM 114 CA ASN A 721 -0.403 8.802 9.905 1.00 45.67 C +ATOM 115 C ASN A 721 1.041 9.317 9.661 1.00 46.41 C +ATOM 116 O ASN A 721 1.526 10.150 10.444 1.00 47.09 O +ATOM 117 CB ASN A 721 -0.452 7.286 10.163 1.00 44.68 C +ATOM 118 CG ASN A 721 -1.806 6.817 10.706 1.00 44.78 C +ATOM 119 OD1 ASN A 721 -2.459 5.974 10.093 1.00 45.81 O +ATOM 120 ND2 ASN A 721 -2.229 7.355 11.849 1.00 41.07 N +ATOM 121 N ALA A 722 1.687 8.867 8.572 1.00 47.14 N +ATOM 122 CA ALA A 722 3.044 9.349 8.194 1.00 48.36 C +ATOM 123 C ALA A 722 3.173 10.852 8.281 1.00 48.95 C +ATOM 124 O ALA A 722 4.075 11.333 8.912 1.00 50.31 O +ATOM 125 CB ALA A 722 3.479 8.863 6.792 1.00 48.24 C +ATOM 126 N ILE A 723 2.287 11.611 7.655 1.00 50.68 N +ATOM 127 CA ILE A 723 2.394 13.082 7.746 1.00 51.32 C +ATOM 128 C ILE A 723 2.144 13.583 9.144 1.00 52.16 C +ATOM 129 O ILE A 723 2.686 14.616 9.544 1.00 52.23 O +ATOM 130 CB ILE A 723 1.443 13.791 6.785 1.00 51.99 C +ATOM 131 CG1 ILE A 723 1.868 13.454 5.352 1.00 54.01 C +ATOM 132 CG2 ILE A 723 1.426 15.328 7.021 1.00 48.24 C +ATOM 133 CD1 ILE A 723 1.106 14.228 4.283 1.00 58.71 C +ATOM 134 N GLN A 724 1.327 12.856 9.908 1.00 53.47 N +ATOM 135 CA GLN A 724 1.000 13.332 11.254 1.00 54.05 C +ATOM 136 C GLN A 724 2.218 13.279 12.182 1.00 53.10 C +ATOM 137 O GLN A 724 2.475 14.221 12.930 1.00 52.85 O +ATOM 138 CB GLN A 724 -0.242 12.650 11.822 1.00 54.81 C +ATOM 139 CG GLN A 724 -1.425 13.663 12.097 1.00 59.14 C +ATOM 140 CD GLN A 724 -1.509 14.852 11.085 1.00 62.99 C +ATOM 141 OE1 GLN A 724 -1.919 14.673 9.924 1.00 64.31 O +ATOM 142 NE2 GLN A 724 -1.137 16.066 11.542 1.00 61.40 N +ATOM 143 N ASP A 725 2.986 12.206 12.058 1.00 51.79 N +ATOM 144 CA ASP A 725 4.230 12.055 12.786 1.00 51.41 C +ATOM 145 C ASP A 725 5.450 12.828 12.185 1.00 52.10 C +ATOM 146 O ASP A 725 6.396 13.132 12.912 1.00 52.25 O +ATOM 147 CB ASP A 725 4.543 10.566 12.938 1.00 50.98 C +ATOM 148 CG ASP A 725 3.336 9.742 13.498 1.00 49.51 C +ATOM 149 OD1 ASP A 725 2.547 10.256 14.322 1.00 48.21 O +ATOM 150 OD2 ASP A 725 3.176 8.570 13.101 1.00 43.84 O +ATOM 151 N THR A 726 5.453 13.106 10.874 1.00 52.22 N +ATOM 152 CA THR A 726 6.405 14.060 10.278 1.00 53.02 C +ATOM 153 C THR A 726 6.133 15.484 10.807 1.00 53.12 C +ATOM 154 O THR A 726 7.021 16.147 11.358 1.00 53.78 O +ATOM 155 CB THR A 726 6.328 14.038 8.737 1.00 53.32 C +ATOM 156 OG1 THR A 726 6.544 12.698 8.258 1.00 53.03 O +ATOM 157 CG2 THR A 726 7.350 14.965 8.130 1.00 54.06 C +ATOM 158 N VAL A 727 4.886 15.928 10.676 1.00 53.67 N +ATOM 159 CA VAL A 727 4.433 17.232 11.179 1.00 53.71 C +ATOM 160 C VAL A 727 4.342 17.323 12.706 1.00 53.90 C +ATOM 161 O VAL A 727 4.026 18.399 13.228 1.00 54.62 O +ATOM 162 CB VAL A 727 3.043 17.618 10.560 1.00 53.90 C +ATOM 163 CG1 VAL A 727 2.473 18.922 11.177 1.00 54.44 C +ATOM 164 CG2 VAL A 727 3.153 17.759 9.053 1.00 54.28 C +ATOM 165 N ARG A 728 4.591 16.224 13.431 1.00 53.45 N +ATOM 166 CA ARG A 728 4.563 16.274 14.908 1.00 52.59 C +ATOM 167 C ARG A 728 5.869 16.744 15.537 1.00 51.89 C +ATOM 168 O ARG A 728 5.872 17.776 16.194 1.00 51.74 O +ATOM 169 CB ARG A 728 4.132 14.940 15.526 1.00 53.42 C +ATOM 170 N GLU A 729 6.958 15.987 15.329 1.00 51.17 N +ATOM 171 CA GLU A 729 8.310 16.282 15.874 1.00 50.07 C +ATOM 172 C GLU A 729 8.769 17.737 15.678 1.00 49.50 C +ATOM 173 O GLU A 729 9.516 18.272 16.500 1.00 48.71 O +ATOM 174 CB GLU A 729 9.957 16.049 16.530 0.00 65.19 C +ATOM 175 N GLN A 730 8.314 18.345 14.575 1.00 48.86 N +ATOM 176 CA GLN A 730 8.367 19.791 14.317 1.00 48.39 C +ATOM 177 C GLN A 730 7.861 20.651 15.493 1.00 47.97 C +ATOM 178 O GLN A 730 8.459 21.668 15.814 1.00 48.08 O +ATOM 179 CB GLN A 730 7.565 20.092 13.046 1.00 48.54 C +ATOM 180 CG GLN A 730 6.984 21.510 12.885 1.00 49.32 C +ATOM 181 CD GLN A 730 5.493 21.511 12.475 1.00 50.07 C +ATOM 182 OE1 GLN A 730 5.141 21.808 11.331 1.00 49.31 O +ATOM 183 NE2 GLN A 730 4.622 21.165 13.418 1.00 49.96 N +ATOM 184 N GLY A 731 6.762 20.233 16.120 1.00 47.66 N +ATOM 185 CA GLY A 731 6.213 20.860 17.341 1.00 46.44 C +ATOM 186 C GLY A 731 7.198 21.191 18.466 1.00 45.68 C +ATOM 187 O GLY A 731 6.996 22.166 19.212 1.00 45.53 O +ATOM 188 N ASN A 732 8.260 20.394 18.604 1.00 44.30 N +ATOM 189 CA ASN A 732 9.324 20.739 19.555 1.00 43.12 C +ATOM 190 C ASN A 732 10.521 21.442 18.852 1.00 41.70 C +ATOM 191 O ASN A 732 11.520 20.846 18.435 1.00 41.33 O +ATOM 192 CB ASN A 732 9.667 19.566 20.517 1.00 43.30 C +ATOM 193 CG ASN A 732 8.876 18.274 20.196 1.00 42.95 C +ATOM 194 OD1 ASN A 732 7.655 18.198 20.390 1.00 39.23 O +ATOM 195 ND2 ASN A 732 9.585 17.265 19.691 1.00 42.75 N +ATOM 196 N SER A 733 10.353 22.747 18.717 1.00 40.48 N +ATOM 197 CA SER A 733 11.194 23.568 17.875 1.00 39.81 C +ATOM 198 C SER A 733 12.282 24.175 18.734 1.00 39.04 C +ATOM 199 O SER A 733 12.034 24.572 19.853 1.00 38.84 O +ATOM 200 CB SER A 733 10.328 24.643 17.184 1.00 40.28 C +ATOM 201 OG SER A 733 10.982 25.909 17.116 1.00 40.31 O +ATOM 202 N MET A 734 13.494 24.225 18.208 1.00 37.96 N +ATOM 203 CA MET A 734 14.612 24.787 18.915 1.00 37.49 C +ATOM 204 C MET A 734 14.493 26.302 19.004 1.00 37.26 C +ATOM 205 O MET A 734 15.295 26.962 19.636 1.00 37.34 O +ATOM 206 CB MET A 734 15.912 24.371 18.254 1.00 37.39 C +ATOM 207 CG MET A 734 16.257 22.896 18.424 1.00 36.10 C +ATOM 208 SD MET A 734 17.776 22.431 17.521 1.00 38.49 S +ATOM 209 CE MET A 734 19.091 23.219 18.491 1.00 34.05 C +ATOM 210 N MET A 735 13.468 26.865 18.389 1.00 37.27 N +ATOM 211 CA MET A 735 13.172 28.257 18.628 1.00 37.75 C +ATOM 212 C MET A 735 12.745 28.510 20.091 1.00 37.38 C +ATOM 213 O MET A 735 12.836 29.645 20.604 1.00 37.21 O +ATOM 214 CB MET A 735 12.135 28.745 17.594 1.00 38.10 C +ATOM 215 CG MET A 735 12.616 28.567 16.110 1.00 37.27 C +ATOM 216 SD MET A 735 11.451 29.117 14.824 1.00 40.26 S +ATOM 217 CE MET A 735 10.870 30.609 15.659 1.00 38.90 C +ATOM 218 N ASN A 736 12.305 27.452 20.781 1.00 37.20 N +ATOM 219 CA ASN A 736 11.817 27.604 22.164 1.00 37.05 C +ATOM 220 C ASN A 736 12.910 27.468 23.186 1.00 36.95 C +ATOM 221 O ASN A 736 12.589 27.465 24.393 1.00 37.96 O +ATOM 222 CB ASN A 736 10.749 26.570 22.526 1.00 36.81 C +ATOM 223 CG ASN A 736 9.526 26.695 21.693 1.00 38.46 C +ATOM 224 OD1 ASN A 736 8.967 27.787 21.533 1.00 41.95 O +ATOM 225 ND2 ASN A 736 9.077 25.577 21.155 1.00 40.96 N +ATOM 226 N LEU A 737 14.156 27.254 22.750 1.00 35.39 N +ATOM 227 CA LEU A 737 15.245 27.093 23.712 1.00 35.46 C +ATOM 228 C LEU A 737 15.705 28.445 24.178 1.00 37.18 C +ATOM 229 O LEU A 737 15.348 29.480 23.573 1.00 36.85 O +ATOM 230 CB LEU A 737 16.416 26.346 23.118 1.00 35.01 C +ATOM 231 CG LEU A 737 16.216 24.913 22.621 1.00 34.37 C +ATOM 232 CD1 LEU A 737 17.365 24.578 21.678 1.00 27.40 C +ATOM 233 CD2 LEU A 737 16.181 23.991 23.854 1.00 31.81 C +ATOM 234 N ASP A 738 16.480 28.452 25.265 1.00 37.90 N +ATOM 235 CA ASP A 738 17.114 29.672 25.713 1.00 38.68 C +ATOM 236 C ASP A 738 18.353 30.010 24.896 1.00 37.71 C +ATOM 237 O ASP A 738 19.417 29.422 25.107 1.00 37.52 O +ATOM 238 CB ASP A 738 17.491 29.611 27.195 1.00 40.11 C +ATOM 239 CG ASP A 738 18.061 30.945 27.706 1.00 44.01 C +ATOM 240 OD1 ASP A 738 17.472 32.017 27.396 1.00 44.57 O +ATOM 241 OD2 ASP A 738 19.114 30.918 28.404 1.00 49.55 O +ATOM 242 N TRP A 739 18.217 31.006 24.015 1.00 36.08 N +ATOM 243 CA TRP A 739 19.334 31.546 23.260 1.00 34.28 C +ATOM 244 C TRP A 739 19.984 32.804 23.857 1.00 34.72 C +ATOM 245 O TRP A 739 20.946 33.336 23.269 1.00 33.89 O +ATOM 246 CB TRP A 739 18.839 31.836 21.853 1.00 35.06 C +ATOM 247 CG TRP A 739 18.440 30.600 21.157 1.00 34.58 C +ATOM 248 CD1 TRP A 739 17.195 30.054 21.093 1.00 34.35 C +ATOM 249 CD2 TRP A 739 19.308 29.717 20.488 1.00 32.68 C +ATOM 250 NE1 TRP A 739 17.231 28.873 20.397 1.00 35.11 N +ATOM 251 CE2 TRP A 739 18.525 28.656 19.998 1.00 36.15 C +ATOM 252 CE3 TRP A 739 20.667 29.756 20.187 1.00 33.00 C +ATOM 253 CZ2 TRP A 739 19.063 27.632 19.225 1.00 35.51 C +ATOM 254 CZ3 TRP A 739 21.217 28.724 19.469 1.00 35.63 C +ATOM 255 CH2 TRP A 739 20.411 27.690 18.955 1.00 35.82 C +ATOM 256 N SER A 740 19.498 33.257 25.032 1.00 33.85 N +ATOM 257 CA SER A 740 19.946 34.503 25.666 1.00 32.82 C +ATOM 258 C SER A 740 21.399 34.614 26.008 1.00 33.00 C +ATOM 259 O SER A 740 21.877 35.719 26.154 1.00 33.67 O +ATOM 260 CB SER A 740 19.109 34.853 26.908 1.00 34.03 C +ATOM 261 OG SER A 740 19.299 33.903 27.959 1.00 33.65 O +ATOM 262 N TRP A 741 22.117 33.502 26.117 1.00 34.05 N +ATOM 263 CA TRP A 741 23.585 33.493 26.322 1.00 34.72 C +ATOM 264 C TRP A 741 24.338 34.049 25.122 1.00 36.89 C +ATOM 265 O TRP A 741 25.569 34.275 25.183 1.00 36.82 O +ATOM 266 CB TRP A 741 24.089 32.075 26.574 1.00 34.45 C +ATOM 267 CG TRP A 741 23.562 31.059 25.601 1.00 35.02 C +ATOM 268 CD1 TRP A 741 22.367 30.377 25.691 1.00 35.56 C +ATOM 269 CD2 TRP A 741 24.156 30.655 24.359 1.00 32.16 C +ATOM 270 NE1 TRP A 741 22.204 29.566 24.593 1.00 34.65 N +ATOM 271 CE2 TRP A 741 23.294 29.691 23.778 1.00 32.42 C +ATOM 272 CE3 TRP A 741 25.366 30.948 23.722 1.00 32.16 C +ATOM 273 CZ2 TRP A 741 23.589 29.046 22.568 1.00 34.61 C +ATOM 274 CZ3 TRP A 741 25.668 30.299 22.509 1.00 32.73 C +ATOM 275 CH2 TRP A 741 24.763 29.376 21.939 1.00 33.77 C +ATOM 276 N LEU A 742 23.613 34.249 24.018 1.00 38.34 N +ATOM 277 CA LEU A 742 24.160 34.945 22.855 1.00 40.13 C +ATOM 278 C LEU A 742 24.254 36.417 23.151 1.00 41.89 C +ATOM 279 O LEU A 742 25.150 37.087 22.682 1.00 42.64 O +ATOM 280 CB LEU A 742 23.332 34.661 21.562 1.00 40.02 C +ATOM 281 CG LEU A 742 23.722 33.310 20.881 1.00 38.72 C +ATOM 282 CD1 LEU A 742 22.863 32.827 19.679 1.00 40.20 C +ATOM 283 CD2 LEU A 742 25.114 33.400 20.432 1.00 35.68 C +ATOM 284 N THR A 743 23.347 36.919 23.973 1.00 44.20 N +ATOM 285 CA THR A 743 23.228 38.336 24.182 1.00 46.56 C +ATOM 286 C THR A 743 23.617 38.731 25.606 1.00 47.43 C +ATOM 287 O THR A 743 24.774 39.136 25.813 1.00 48.25 O +ATOM 288 CB THR A 743 21.802 38.818 23.862 1.00 47.18 C +ATOM 289 OG1 THR A 743 20.848 37.862 24.358 1.00 49.50 O +ATOM 290 CG2 THR A 743 21.625 38.981 22.339 1.00 48.89 C +ATOM 292 N GLU B 49 -29.122 -8.130 -13.110 1.00 58.57 N +ATOM 293 CA GLU B 49 -28.972 -7.259 -14.310 1.00 58.79 C +ATOM 294 C GLU B 49 -27.622 -6.505 -14.339 1.00 58.01 C +ATOM 295 O GLU B 49 -27.141 -6.029 -13.315 1.00 57.14 O +ATOM 296 CB GLU B 49 -30.190 -6.332 -14.485 1.00 59.08 C +ATOM 297 CG GLU B 49 -29.899 -5.012 -15.220 1.00 61.30 C +ATOM 298 CD GLU B 49 -31.002 -4.613 -16.199 1.00 63.63 C +ATOM 299 OE1 GLU B 49 -31.235 -5.344 -17.191 1.00 61.42 O +ATOM 300 OE2 GLU B 49 -31.610 -3.540 -15.991 1.00 66.47 O +ATOM 301 N THR B 50 -27.031 -6.433 -15.536 1.00 57.60 N +ATOM 302 CA THR B 50 -25.689 -5.892 -15.757 1.00 57.58 C +ATOM 303 C THR B 50 -25.653 -4.366 -15.586 1.00 58.29 C +ATOM 304 O THR B 50 -24.622 -3.818 -15.247 1.00 58.71 O +ATOM 305 CB THR B 50 -25.144 -6.300 -17.184 1.00 57.99 C +ATOM 306 OG1 THR B 50 -25.325 -7.705 -17.386 1.00 53.90 O +ATOM 307 CG2 THR B 50 -23.630 -5.915 -17.386 1.00 56.21 C +ATOM 308 N LEU B 51 -26.778 -3.691 -15.830 1.00 59.12 N +ATOM 309 CA LEU B 51 -26.870 -2.241 -15.645 1.00 59.48 C +ATOM 310 C LEU B 51 -26.794 -1.861 -14.150 1.00 60.12 C +ATOM 311 O LEU B 51 -25.884 -1.135 -13.746 1.00 58.32 O +ATOM 312 CB LEU B 51 -28.153 -1.676 -16.287 1.00 59.60 C +ATOM 313 CG LEU B 51 -28.121 -0.369 -17.102 1.00 59.20 C +ATOM 314 CD1 LEU B 51 -29.497 0.283 -17.143 1.00 59.90 C +ATOM 315 CD2 LEU B 51 -27.122 0.595 -16.567 1.00 58.16 C +ATOM 316 N GLN B 52 -27.727 -2.379 -13.337 1.00 61.09 N +ATOM 317 CA GLN B 52 -27.767 -2.043 -11.895 1.00 62.01 C +ATOM 318 C GLN B 52 -26.415 -2.307 -11.258 1.00 61.97 C +ATOM 319 O GLN B 52 -25.959 -1.531 -10.426 1.00 61.49 O +ATOM 320 CB GLN B 52 -28.871 -2.818 -11.162 1.00 62.11 C +ATOM 321 CG GLN B 52 -30.244 -2.647 -11.818 1.00 64.57 C +ATOM 322 CD GLN B 52 -31.225 -3.768 -11.507 1.00 66.86 C +ATOM 323 OE1 GLN B 52 -31.340 -4.207 -10.362 1.00 67.78 O +ATOM 324 NE2 GLN B 52 -31.956 -4.227 -12.532 1.00 67.30 N +ATOM 325 N ARG B 53 -25.788 -3.407 -11.685 1.00 62.61 N +ATOM 326 CA ARG B 53 -24.498 -3.872 -11.170 1.00 63.22 C +ATOM 327 C ARG B 53 -23.392 -2.850 -11.405 1.00 62.81 C +ATOM 328 O ARG B 53 -22.575 -2.586 -10.529 1.00 61.67 O +ATOM 329 CB ARG B 53 -24.127 -5.206 -11.842 1.00 63.18 C +ATOM 330 CG ARG B 53 -23.070 -6.060 -11.110 1.00 63.64 C +ATOM 331 CD ARG B 53 -22.797 -7.371 -11.887 1.00 64.99 C +ATOM 332 NE ARG B 53 -21.425 -7.431 -12.423 1.00 68.53 N +ATOM 333 CZ ARG B 53 -21.068 -7.369 -13.714 1.00 68.13 C +ATOM 334 NH1 ARG B 53 -21.959 -7.239 -14.696 1.00 65.90 N +ATOM 335 NH2 ARG B 53 -19.780 -7.440 -14.023 1.00 68.01 N +ATOM 336 N CYS B 54 -23.394 -2.302 -12.613 1.00 63.22 N +ATOM 337 CA CYS B 54 -22.391 -1.369 -13.104 1.00 63.58 C +ATOM 338 C CYS B 54 -22.515 -0.006 -12.522 1.00 62.00 C +ATOM 339 O CYS B 54 -21.513 0.632 -12.213 1.00 61.60 O +ATOM 340 CB CYS B 54 -22.594 -1.191 -14.583 1.00 63.77 C +ATOM 341 SG CYS B 54 -21.273 -1.837 -15.417 1.00 72.50 S +ATOM 342 N LEU B 55 -23.758 0.455 -12.461 1.00 60.54 N +ATOM 343 CA LEU B 55 -24.097 1.710 -11.847 1.00 59.74 C +ATOM 344 C LEU B 55 -23.725 1.685 -10.366 1.00 58.91 C +ATOM 345 O LEU B 55 -23.172 2.647 -9.849 1.00 59.75 O +ATOM 346 CB LEU B 55 -25.579 2.005 -12.029 1.00 59.43 C +ATOM 347 CG LEU B 55 -25.987 2.427 -13.435 1.00 59.01 C +ATOM 348 CD1 LEU B 55 -27.474 2.328 -13.547 1.00 61.78 C +ATOM 349 CD2 LEU B 55 -25.546 3.843 -13.682 1.00 59.46 C +ATOM 350 N GLU B 56 -23.983 0.577 -9.691 1.00 57.34 N +ATOM 351 CA GLU B 56 -23.623 0.500 -8.276 1.00 56.25 C +ATOM 352 C GLU B 56 -22.090 0.545 -8.088 1.00 55.09 C +ATOM 353 O GLU B 56 -21.615 1.187 -7.166 1.00 54.87 O +ATOM 354 CB GLU B 56 -24.275 -0.692 -7.554 1.00 55.07 C +ATOM 355 N GLU B 57 -21.329 -0.091 -8.984 1.00 53.52 N +ATOM 356 CA GLU B 57 -19.883 -0.052 -8.869 1.00 52.58 C +ATOM 357 C GLU B 57 -19.308 1.310 -9.331 1.00 50.90 C +ATOM 358 O GLU B 57 -18.181 1.669 -9.005 1.00 50.79 O +ATOM 359 CB GLU B 57 -19.251 -1.194 -9.663 1.00 52.22 C +ATOM 360 CG GLU B 57 -17.805 -1.432 -9.250 1.00 54.92 C +ATOM 361 CD GLU B 57 -16.925 -1.977 -10.359 1.00 59.04 C +ATOM 362 OE1 GLU B 57 -17.497 -2.468 -11.372 1.00 61.71 O +ATOM 363 OE2 GLU B 57 -15.664 -1.933 -10.201 1.00 57.84 O +ATOM 364 N ASN B 58 -20.088 2.033 -10.126 1.00 49.94 N +ATOM 365 CA ASN B 58 -19.723 3.340 -10.611 1.00 49.69 C +ATOM 366 C ASN B 58 -19.796 4.334 -9.467 1.00 48.02 C +ATOM 367 O ASN B 58 -18.897 5.099 -9.289 1.00 49.44 O +ATOM 368 CB ASN B 58 -20.675 3.784 -11.693 1.00 49.49 C +ATOM 369 CG ASN B 58 -20.174 4.986 -12.407 1.00 52.99 C +ATOM 370 OD1 ASN B 58 -19.209 4.903 -13.167 1.00 58.17 O +ATOM 371 ND2 ASN B 58 -20.805 6.132 -12.169 1.00 55.35 N +ATOM 372 N GLN B 59 -20.877 4.293 -8.693 1.00 47.21 N +ATOM 373 CA GLN B 59 -21.043 5.112 -7.497 1.00 45.63 C +ATOM 374 C GLN B 59 -19.976 4.807 -6.484 1.00 44.51 C +ATOM 375 O GLN B 59 -19.348 5.731 -5.994 1.00 45.62 O +ATOM 376 CB GLN B 59 -22.434 4.899 -6.883 1.00 46.37 C +ATOM 377 CG GLN B 59 -22.837 5.926 -5.839 1.00 47.98 C +ATOM 378 CD GLN B 59 -22.860 7.356 -6.377 1.00 49.96 C +ATOM 379 OE1 GLN B 59 -21.946 8.155 -6.104 1.00 54.16 O +ATOM 380 NE2 GLN B 59 -23.901 7.688 -7.134 1.00 49.45 N +ATOM 381 N GLU B 60 -19.722 3.532 -6.182 1.00 42.66 N +ATOM 382 CA GLU B 60 -18.657 3.196 -5.202 1.00 41.32 C +ATOM 383 C GLU B 60 -17.259 3.617 -5.621 1.00 40.00 C +ATOM 384 O GLU B 60 -16.481 4.002 -4.801 1.00 40.04 O +ATOM 385 CB GLU B 60 -18.635 1.708 -4.847 1.00 41.84 C +ATOM 386 N LEU B 61 -16.927 3.524 -6.901 1.00 39.35 N +ATOM 387 CA LEU B 61 -15.627 3.975 -7.348 1.00 37.75 C +ATOM 388 C LEU B 61 -15.622 5.516 -7.312 1.00 38.13 C +ATOM 389 O LEU B 61 -14.588 6.082 -7.055 1.00 35.53 O +ATOM 390 CB LEU B 61 -15.253 3.481 -8.750 1.00 37.65 C +ATOM 391 CG LEU B 61 -14.881 2.008 -9.028 1.00 37.31 C +ATOM 392 CD1 LEU B 61 -15.215 1.595 -10.456 1.00 33.57 C +ATOM 393 CD2 LEU B 61 -13.407 1.726 -8.701 1.00 35.36 C +ATOM 394 N ARG B 62 -16.765 6.166 -7.577 1.00 38.55 N +ATOM 395 CA ARG B 62 -16.829 7.647 -7.494 1.00 38.84 C +ATOM 396 C ARG B 62 -16.754 8.159 -6.061 1.00 39.01 C +ATOM 397 O ARG B 62 -16.309 9.265 -5.856 1.00 39.20 O +ATOM 398 CB ARG B 62 -18.048 8.239 -8.198 1.00 38.99 C +ATOM 399 CG ARG B 62 -18.125 7.885 -9.674 1.00 41.44 C +ATOM 400 CD ARG B 62 -19.448 8.300 -10.266 1.00 45.20 C +ATOM 401 NE ARG B 62 -19.331 9.618 -10.872 1.00 48.90 N +ATOM 402 CZ ARG B 62 -19.730 9.950 -12.097 1.00 52.70 C +ATOM 403 NH1 ARG B 62 -20.347 9.078 -12.906 1.00 49.14 N +ATOM 404 NH2 ARG B 62 -19.528 11.199 -12.505 1.00 54.47 N +ATOM 405 N ASP B 63 -17.159 7.336 -5.090 1.00 39.65 N +ATOM 406 CA ASP B 63 -17.064 7.668 -3.660 1.00 39.58 C +ATOM 407 C ASP B 63 -15.649 7.434 -3.159 1.00 38.66 C +ATOM 408 O ASP B 63 -15.178 8.136 -2.298 1.00 38.68 O +ATOM 409 CB ASP B 63 -18.003 6.792 -2.808 1.00 40.22 C +ATOM 410 CG ASP B 63 -19.495 6.967 -3.149 1.00 43.46 C +ATOM 411 OD1 ASP B 63 -19.849 8.049 -3.688 1.00 46.59 O +ATOM 412 OD2 ASP B 63 -20.314 6.015 -2.868 1.00 44.98 O +ATOM 413 N ALA B 64 -14.972 6.425 -3.683 1.00 38.16 N +ATOM 414 CA ALA B 64 -13.609 6.170 -3.285 1.00 38.07 C +ATOM 415 C ALA B 64 -12.728 7.322 -3.744 1.00 39.00 C +ATOM 416 O ALA B 64 -11.904 7.816 -2.983 1.00 39.47 O +ATOM 417 CB ALA B 64 -13.110 4.839 -3.894 1.00 38.17 C +ATOM 418 N ILE B 65 -12.922 7.763 -4.988 1.00 38.99 N +ATOM 419 CA ILE B 65 -12.178 8.877 -5.544 1.00 40.32 C +ATOM 420 C ILE B 65 -12.447 10.284 -4.932 1.00 38.74 C +ATOM 421 O ILE B 65 -11.513 11.012 -4.689 1.00 39.64 O +ATOM 422 CB ILE B 65 -12.395 8.935 -7.063 1.00 41.09 C +ATOM 423 CG1 ILE B 65 -11.483 7.929 -7.730 1.00 44.05 C +ATOM 424 CG2 ILE B 65 -11.969 10.322 -7.589 1.00 40.88 C +ATOM 425 CD1 ILE B 65 -10.005 8.434 -7.688 1.00 46.45 C +ATOM 426 N ARG B 66 -13.691 10.686 -4.708 1.00 39.21 N +ATOM 427 CA ARG B 66 -13.955 11.973 -4.020 1.00 41.01 C +ATOM 428 C ARG B 66 -13.300 12.033 -2.637 1.00 40.17 C +ATOM 429 O ARG B 66 -12.782 13.079 -2.223 1.00 42.59 O +ATOM 430 CB ARG B 66 -15.454 12.310 -3.893 1.00 40.29 C +ATOM 431 CG ARG B 66 -16.256 11.927 -5.123 1.00 41.66 C +ATOM 432 CD ARG B 66 -17.739 12.383 -5.123 1.00 43.35 C +ATOM 433 NE ARG B 66 -18.629 11.419 -5.834 1.00 47.49 N +ATOM 434 CZ ARG B 66 -19.367 11.707 -6.920 1.00 50.36 C +ATOM 435 NH1 ARG B 66 -19.343 12.935 -7.452 1.00 51.94 N +ATOM 436 NH2 ARG B 66 -20.172 10.776 -7.463 1.00 51.24 N +ATOM 437 N GLN B 67 -13.306 10.916 -1.937 1.00 40.36 N +ATOM 438 CA GLN B 67 -12.866 10.879 -0.536 1.00 39.77 C +ATOM 439 C GLN B 67 -11.373 10.943 -0.510 1.00 39.37 C +ATOM 440 O GLN B 67 -10.812 11.791 0.117 1.00 40.39 O +ATOM 441 CB GLN B 67 -13.364 9.591 0.148 1.00 39.87 C +ATOM 442 N SER B 68 -10.720 10.068 -1.258 1.00 38.88 N +ATOM 443 CA SER B 68 -9.278 10.125 -1.414 1.00 37.67 C +ATOM 444 C SER B 68 -8.766 11.518 -1.911 1.00 37.13 C +ATOM 445 O SER B 68 -7.726 12.022 -1.466 1.00 37.27 O +ATOM 446 CB SER B 68 -8.931 9.071 -2.417 1.00 37.80 C +ATOM 447 OG SER B 68 -7.559 9.106 -2.635 1.00 44.49 O +ATOM 448 N ASN B 69 -9.497 12.136 -2.831 1.00 34.44 N +ATOM 449 CA ASN B 69 -9.172 13.473 -3.257 1.00 34.09 C +ATOM 450 C ASN B 69 -9.268 14.478 -2.108 1.00 34.36 C +ATOM 451 O ASN B 69 -8.402 15.303 -1.961 1.00 32.33 O +ATOM 452 CB ASN B 69 -10.080 13.927 -4.388 1.00 34.17 C +ATOM 453 CG ASN B 69 -9.705 13.303 -5.736 1.00 35.26 C +ATOM 454 OD1 ASN B 69 -8.718 12.584 -5.850 1.00 37.69 O +ATOM 455 ND2 ASN B 69 -10.514 13.579 -6.754 1.00 30.06 N +ATOM 456 N GLN B 70 -10.323 14.402 -1.303 1.00 35.32 N +ATOM 457 CA GLN B 70 -10.401 15.265 -0.144 1.00 36.65 C +ATOM 458 C GLN B 70 -9.158 15.119 0.744 1.00 36.34 C +ATOM 459 O GLN B 70 -8.545 16.121 1.123 1.00 36.48 O +ATOM 460 CB GLN B 70 -11.672 15.032 0.647 1.00 36.92 C +ATOM 461 CG GLN B 70 -11.765 16.008 1.831 1.00 43.76 C +ATOM 462 CD GLN B 70 -12.978 15.721 2.695 1.00 52.83 C +ATOM 463 OE1 GLN B 70 -14.036 15.228 2.200 1.00 55.76 O +ATOM 464 NE2 GLN B 70 -12.854 16.018 3.997 1.00 55.40 N +ATOM 465 N ILE B 71A -8.746 13.878 1.020 1.00 36.81 N +ATOM 466 CA ILE B 71A -7.597 13.628 1.888 1.00 35.97 C +ATOM 467 C ILE B 71A -6.334 14.174 1.287 1.00 36.85 C +ATOM 468 O ILE B 71A -5.575 14.801 1.979 1.00 39.24 O +ATOM 469 CB ILE B 71A -7.399 12.114 2.180 1.00 35.45 C +ATOM 470 CG1 ILE B 71A -8.380 11.612 3.247 1.00 33.91 C +ATOM 471 CG2 ILE B 71A -6.010 11.844 2.677 1.00 33.65 C +ATOM 472 CD1 ILE B 71A -8.968 10.102 2.925 1.00 35.17 C +ATOM 473 N LEU B 72 -6.073 13.897 0.013 1.00 38.04 N +ATOM 474 CA LEU B 72 -4.914 14.448 -0.700 1.00 37.59 C +ATOM 475 C LEU B 72 -4.944 15.957 -0.709 1.00 38.01 C +ATOM 476 O LEU B 72 -3.901 16.571 -0.584 1.00 38.19 O +ATOM 477 CB LEU B 72 -4.841 13.943 -2.157 1.00 36.39 C +ATOM 478 CG LEU B 72 -4.532 12.447 -2.277 1.00 38.64 C +ATOM 479 CD1 LEU B 72 -4.520 11.913 -3.704 1.00 34.29 C +ATOM 480 CD2 LEU B 72 -3.240 12.152 -1.595 1.00 34.41 C +ATOM 481 N ARG B 73 -6.103 16.587 -0.851 1.00 37.54 N +ATOM 482 CA ARG B 73 -5.973 18.012 -0.765 1.00 38.67 C +ATOM 483 C ARG B 73 -5.660 18.539 0.669 1.00 37.38 C +ATOM 484 O ARG B 73 -4.766 19.377 0.808 1.00 37.41 O +ATOM 485 CB ARG B 73 -6.853 18.811 -1.763 1.00 39.66 C +ATOM 486 CG ARG B 73 -8.036 19.650 -1.372 1.00 42.60 C +ATOM 487 CD ARG B 73 -9.192 19.238 -2.360 1.00 45.48 C +ATOM 488 NE ARG B 73 -8.995 19.725 -3.727 1.00 46.42 N +ATOM 489 CZ ARG B 73 -9.646 19.272 -4.808 1.00 47.19 C +ATOM 490 NH1 ARG B 73 -10.541 18.286 -4.718 1.00 47.69 N +ATOM 491 NH2 ARG B 73 -9.372 19.783 -6.001 1.00 44.41 N +ATOM 492 N GLU B 74 -6.215 17.891 1.707 1.00 35.54 N +ATOM 493 CA GLU B 74 -5.843 18.209 3.097 1.00 34.95 C +ATOM 494 C GLU B 74 -4.355 17.900 3.385 1.00 34.07 C +ATOM 495 O GLU B 74 -3.645 18.728 3.930 1.00 32.09 O +ATOM 496 CB GLU B 74 -6.796 17.541 4.124 1.00 34.72 C +ATOM 497 N ARG B 75 -3.880 16.724 2.960 1.00 32.89 N +ATOM 498 CA ARG B 75 -2.491 16.327 3.204 1.00 32.16 C +ATOM 499 C ARG B 75 -1.460 17.202 2.498 1.00 32.09 C +ATOM 500 O ARG B 75 -0.414 17.470 3.065 1.00 30.55 O +ATOM 501 CB ARG B 75 -2.256 14.889 2.734 1.00 32.87 C +ATOM 502 CG ARG B 75 -2.067 13.851 3.792 1.00 35.04 C +ATOM 503 CD ARG B 75 -3.253 13.626 4.645 1.00 35.44 C +ATOM 504 NE ARG B 75 -3.129 14.391 5.860 1.00 39.19 N +ATOM 505 CZ ARG B 75 -4.148 14.677 6.643 1.00 41.81 C +ATOM 506 NH1 ARG B 75 -5.362 14.260 6.326 1.00 44.44 N +ATOM 507 NH2 ARG B 75 -3.940 15.388 7.732 1.00 46.76 N +ATOM 508 N CYS B 76 -1.734 17.597 1.246 1.00 31.35 N +ATOM 509 CA CYS B 76 -0.840 18.506 0.539 1.00 32.32 C +ATOM 510 C CYS B 76 -0.756 19.843 1.203 1.00 31.67 C +ATOM 511 O CYS B 76 0.299 20.439 1.187 1.00 31.74 O +ATOM 512 CB CYS B 76 -1.310 18.790 -0.853 1.00 31.78 C +ATOM 513 SG CYS B 76 -1.120 17.511 -1.938 1.00 39.49 S +ATOM 514 N GLU B 77 -1.881 20.350 1.715 1.00 32.73 N +ATOM 515 CA GLU B 77 -1.933 21.659 2.337 1.00 33.81 C +ATOM 516 C GLU B 77 -1.133 21.613 3.633 1.00 34.61 C +ATOM 517 O GLU B 77 -0.296 22.470 3.908 1.00 34.55 O +ATOM 518 CB GLU B 77 -3.369 22.080 2.567 1.00 33.43 C +ATOM 519 CG GLU B 77 -3.528 23.437 3.193 1.00 37.35 C +ATOM 520 CD GLU B 77 -4.901 23.616 3.802 1.00 42.53 C +ATOM 521 OE1 GLU B 77 -5.635 22.604 3.886 1.00 48.01 O +ATOM 522 OE2 GLU B 77 -5.262 24.752 4.191 1.00 46.39 O +ATOM 523 N GLU B 78 -1.356 20.573 4.400 1.00 36.26 N +ATOM 524 CA GLU B 78 -0.553 20.315 5.607 1.00 38.41 C +ATOM 525 C GLU B 78 0.923 20.281 5.262 1.00 37.35 C +ATOM 526 O GLU B 78 1.759 20.843 5.958 1.00 37.89 O +ATOM 527 CB GLU B 78 -1.005 18.983 6.226 1.00 37.84 C +ATOM 528 CG GLU B 78 -0.406 18.653 7.577 1.00 41.12 C +ATOM 529 CD GLU B 78 -1.199 17.570 8.337 1.00 41.88 C +ATOM 530 OE1 GLU B 78 -1.897 16.719 7.671 1.00 45.25 O +ATOM 531 OE2 GLU B 78 -1.137 17.585 9.616 1.00 46.27 O +ATOM 532 N LEU B 79 1.259 19.636 4.154 1.00 37.34 N +ATOM 533 CA LEU B 79 2.668 19.393 3.863 1.00 37.16 C +ATOM 534 C LEU B 79 3.332 20.679 3.372 1.00 36.06 C +ATOM 535 O LEU B 79 4.507 20.905 3.618 1.00 36.16 O +ATOM 536 CB LEU B 79 2.799 18.299 2.855 1.00 36.49 C +ATOM 537 CG LEU B 79 3.919 17.304 2.623 1.00 38.12 C +ATOM 538 CD1 LEU B 79 4.413 16.532 3.858 1.00 38.52 C +ATOM 539 CD2 LEU B 79 3.252 16.316 1.671 1.00 35.83 C +ATOM 540 N LEU B 80 2.556 21.523 2.725 1.00 35.85 N +ATOM 541 CA LEU B 80 3.047 22.817 2.238 1.00 36.63 C +ATOM 542 C LEU B 80 3.340 23.737 3.440 1.00 36.22 C +ATOM 543 O LEU B 80 4.315 24.472 3.462 1.00 37.14 O +ATOM 544 CB LEU B 80 2.022 23.403 1.260 1.00 35.90 C +ATOM 545 CG LEU B 80 1.918 24.803 0.625 1.00 37.94 C +ATOM 546 CD1 LEU B 80 0.610 24.942 -0.127 1.00 37.90 C +ATOM 547 CD2 LEU B 80 2.030 25.979 1.602 1.00 43.86 C +ATOM 548 N HIS B 81 2.471 23.705 4.436 1.00 36.59 N +ATOM 549 CA HIS B 81 2.694 24.464 5.659 1.00 36.13 C +ATOM 550 C HIS B 81 3.913 23.997 6.468 1.00 33.83 C +ATOM 551 O HIS B 81 4.641 24.816 7.040 1.00 34.34 O +ATOM 552 CB HIS B 81 1.434 24.464 6.523 1.00 37.80 C +ATOM 553 CG HIS B 81 0.323 25.323 5.994 1.00 39.02 C +ATOM 554 ND1 HIS B 81 -0.655 24.846 5.149 1.00 41.71 N +ATOM 555 CD2 HIS B 81 0.014 26.618 6.226 1.00 40.21 C +ATOM 556 CE1 HIS B 81 -1.514 25.810 4.875 1.00 39.55 C +ATOM 557 NE2 HIS B 81 -1.135 26.893 5.521 1.00 40.26 N +ATOM 558 N PHE B 82 4.157 22.694 6.481 1.00 32.30 N +ATOM 559 CA PHE B 82 5.304 22.086 7.204 1.00 29.84 C +ATOM 560 C PHE B 82 6.543 22.500 6.498 1.00 29.93 C +ATOM 561 O PHE B 82 7.578 22.766 7.108 1.00 31.03 O +ATOM 562 CB PHE B 82 5.202 20.566 7.203 1.00 28.90 C +ATOM 563 CG PHE B 82 6.414 19.862 7.750 1.00 27.45 C +ATOM 564 CD1 PHE B 82 6.623 19.754 9.127 1.00 24.69 C +ATOM 565 CD2 PHE B 82 7.346 19.319 6.889 1.00 26.44 C +ATOM 566 CE1 PHE B 82 7.731 19.124 9.648 1.00 27.15 C +ATOM 567 CE2 PHE B 82 8.449 18.674 7.390 1.00 29.49 C +ATOM 568 CZ PHE B 82 8.653 18.569 8.788 1.00 28.63 C +ATOM 569 N GLN B 83 6.477 22.572 5.192 1.00 30.47 N +ATOM 570 CA GLN B 83 7.660 22.969 4.443 1.00 30.81 C +ATOM 571 C GLN B 83 8.041 24.382 4.772 1.00 30.51 C +ATOM 572 O GLN B 83 9.225 24.710 4.833 1.00 31.14 O +ATOM 573 CB GLN B 83 7.393 22.944 2.956 1.00 31.62 C +ATOM 574 CG GLN B 83 7.704 21.668 2.321 1.00 34.96 C +ATOM 575 CD GLN B 83 7.293 21.658 0.833 1.00 40.52 C +ATOM 576 OE1 GLN B 83 6.348 20.970 0.446 1.00 42.24 O +ATOM 577 NE2 GLN B 83 8.000 22.432 0.016 1.00 39.73 N +ATOM 578 N ALA B 84 7.055 25.240 4.936 1.00 30.99 N +ATOM 579 CA ALA B 84 7.335 26.632 5.241 1.00 32.00 C +ATOM 580 C ALA B 84 7.921 26.754 6.678 1.00 32.92 C +ATOM 581 O ALA B 84 8.862 27.532 6.869 1.00 34.04 O +ATOM 582 CB ALA B 84 6.089 27.514 5.041 1.00 31.69 C +ATOM 583 N SER B 85 7.423 25.956 7.634 1.00 32.49 N +ATOM 584 CA SER B 85 7.969 25.926 9.018 1.00 32.72 C +ATOM 585 C SER B 85 9.348 25.393 9.061 1.00 33.06 C +ATOM 586 O SER B 85 10.193 25.972 9.733 1.00 32.95 O +ATOM 587 CB SER B 85 7.154 25.076 9.904 1.00 32.22 C +ATOM 588 OG SER B 85 5.868 25.593 9.816 1.00 35.11 O +ATOM 589 N GLN B 86 9.609 24.344 8.268 1.00 33.38 N +ATOM 590 CA GLN B 86 10.960 23.813 8.194 1.00 33.31 C +ATOM 591 C GLN B 86 11.948 24.875 7.706 1.00 30.43 C +ATOM 592 O GLN B 86 13.009 25.057 8.273 1.00 28.85 O +ATOM 593 CB GLN B 86 11.021 22.543 7.342 1.00 33.40 C +ATOM 594 CG GLN B 86 10.367 21.347 8.102 1.00 39.07 C +ATOM 595 CD GLN B 86 11.134 20.915 9.388 1.00 44.37 C +ATOM 596 OE1 GLN B 86 12.094 20.129 9.310 1.00 46.80 O +ATOM 597 NE2 GLN B 86 10.699 21.417 10.573 1.00 47.55 N +ATOM 598 N ARG B 87 11.587 25.553 6.649 1.00 29.91 N +ATOM 599 CA ARG B 87 12.445 26.632 6.071 1.00 29.57 C +ATOM 600 C ARG B 87 12.732 27.748 7.075 1.00 28.97 C +ATOM 601 O ARG B 87 13.825 28.250 7.134 1.00 30.38 O +ATOM 602 CB ARG B 87 11.763 27.229 4.838 1.00 28.62 C +ATOM 603 CG ARG B 87 12.475 28.483 4.314 1.00 31.76 C +ATOM 604 CD ARG B 87 12.022 28.919 2.893 1.00 30.68 C +ATOM 605 NE ARG B 87 13.217 29.305 2.122 1.00 34.97 N +ATOM 606 CZ ARG B 87 13.282 29.470 0.786 1.00 37.62 C +ATOM 607 NH1 ARG B 87 12.208 29.278 0.006 1.00 34.77 N +ATOM 608 NH2 ARG B 87 14.441 29.836 0.220 1.00 37.40 N +ATOM 609 N GLU B 88 11.767 28.101 7.899 1.00 29.18 N +ATOM 610 CA GLU B 88 11.900 29.161 8.931 1.00 31.46 C +ATOM 611 C GLU B 88 12.777 28.737 10.138 1.00 31.10 C +ATOM 612 O GLU B 88 13.620 29.546 10.629 1.00 30.25 O +ATOM 613 CB GLU B 88 10.492 29.557 9.381 1.00 29.89 C +ATOM 614 CG GLU B 88 9.666 30.268 8.252 1.00 35.38 C +ATOM 615 CD GLU B 88 8.132 30.404 8.571 1.00 37.19 C +ATOM 616 OE1 GLU B 88 7.758 30.530 9.768 1.00 42.26 O +ATOM 617 OE2 GLU B 88 7.283 30.366 7.630 1.00 44.77 O +ATOM 618 N GLU B 89 12.607 27.474 10.581 1.00 29.99 N +ATOM 619 CA GLU B 89 13.408 26.884 11.652 1.00 30.82 C +ATOM 620 C GLU B 89 14.837 26.890 11.199 1.00 30.02 C +ATOM 621 O GLU B 89 15.708 27.317 11.904 1.00 29.43 O +ATOM 622 CB GLU B 89 12.997 25.435 11.904 1.00 31.39 C +ATOM 623 CG GLU B 89 13.824 24.710 12.972 1.00 36.45 C +ATOM 624 CD GLU B 89 13.217 24.836 14.378 1.00 45.83 C +ATOM 625 OE1 GLU B 89 13.441 23.937 15.264 1.00 48.35 O +ATOM 626 OE2 GLU B 89 12.505 25.845 14.601 1.00 47.81 O +ATOM 627 N LYS B 90 15.071 26.441 9.977 1.00 30.08 N +ATOM 628 CA LYS B 90 16.414 26.407 9.434 1.00 30.15 C +ATOM 629 C LYS B 90 17.039 27.820 9.328 1.00 29.31 C +ATOM 630 O LYS B 90 18.159 28.046 9.693 1.00 31.92 O +ATOM 631 CB LYS B 90 16.345 25.842 8.034 1.00 29.56 C +ATOM 632 CG LYS B 90 17.745 25.653 7.516 1.00 35.15 C +ATOM 633 CD LYS B 90 17.763 24.951 6.186 1.00 34.49 C +ATOM 634 CE LYS B 90 19.172 24.408 5.989 1.00 37.71 C +ATOM 635 NZ LYS B 90 19.261 23.829 4.586 1.00 39.55 N +ATOM 636 N GLU B 91 16.336 28.770 8.781 1.00 28.14 N +ATOM 637 CA GLU B 91 16.834 30.175 8.781 1.00 28.03 C +ATOM 638 C GLU B 91 17.120 30.623 10.202 1.00 27.48 C +ATOM 639 O GLU B 91 18.147 31.252 10.444 1.00 26.84 O +ATOM 640 CB GLU B 91 15.773 31.086 8.187 1.00 26.18 C +ATOM 641 CG GLU B 91 15.391 30.658 6.800 1.00 27.88 C +ATOM 642 CD GLU B 91 14.260 31.453 6.149 1.00 33.10 C +ATOM 643 OE1 GLU B 91 13.558 32.271 6.776 1.00 34.20 O +ATOM 644 OE2 GLU B 91 14.034 31.235 4.954 1.00 39.23 O +ATOM 645 N PHE B 92 16.223 30.278 11.141 1.00 27.93 N +ATOM 646 CA PHE B 92 16.477 30.584 12.552 1.00 29.26 C +ATOM 647 C PHE B 92 17.737 29.988 13.071 1.00 30.20 C +ATOM 648 O PHE B 92 18.582 30.700 13.604 1.00 32.18 O +ATOM 649 CB PHE B 92 15.301 30.237 13.414 1.00 29.09 C +ATOM 650 CG PHE B 92 15.524 30.479 14.874 1.00 34.42 C +ATOM 651 CD1 PHE B 92 15.093 31.678 15.472 1.00 29.65 C +ATOM 652 CD2 PHE B 92 16.070 29.439 15.701 1.00 35.96 C +ATOM 653 CE1 PHE B 92 15.233 31.868 16.872 1.00 33.79 C +ATOM 654 CE2 PHE B 92 16.238 29.634 17.077 1.00 37.07 C +ATOM 655 CZ PHE B 92 15.820 30.866 17.680 1.00 31.59 C +ATOM 656 N LEU B 93 17.941 28.686 12.856 1.00 32.24 N +ATOM 657 CA LEU B 93 19.110 28.013 13.402 1.00 32.07 C +ATOM 658 C LEU B 93 20.424 28.409 12.682 1.00 34.53 C +ATOM 659 O LEU B 93 21.497 28.568 13.319 1.00 35.70 O +ATOM 660 CB LEU B 93 18.846 26.513 13.322 1.00 31.80 C +ATOM 661 CG LEU B 93 17.849 26.036 14.397 1.00 32.20 C +ATOM 662 CD1 LEU B 93 17.622 24.533 14.322 1.00 28.96 C +ATOM 663 CD2 LEU B 93 18.365 26.401 15.869 1.00 29.54 C +ATOM 664 N MET B 94 20.392 28.544 11.356 1.00 33.82 N +ATOM 665 CA MET B 94 21.561 29.135 10.677 1.00 36.07 C +ATOM 666 C MET B 94 21.935 30.539 11.200 1.00 34.38 C +ATOM 667 O MET B 94 23.110 30.883 11.320 1.00 34.10 O +ATOM 668 CB MET B 94 21.322 29.161 9.184 1.00 33.59 C +ATOM 669 CG MET B 94 21.553 27.792 8.527 1.00 36.32 C +ATOM 670 SD MET B 94 21.252 27.942 6.774 1.00 47.42 S +ATOM 671 CE MET B 94 19.499 28.362 6.646 1.00 48.65 C +ATOM 672 N CYS B 95 20.956 31.354 11.537 1.00 34.64 N +ATOM 673 CA CYS B 95 21.244 32.648 12.168 1.00 35.08 C +ATOM 674 C CYS B 95 21.934 32.489 13.561 1.00 35.70 C +ATOM 675 O CYS B 95 23.071 32.936 13.739 1.00 36.62 O +ATOM 676 CB CYS B 95 19.968 33.473 12.252 1.00 33.83 C +ATOM 677 SG CYS B 95 20.179 35.161 12.977 1.00 37.51 S +ATOM 678 N LYS B 96 21.296 31.785 14.495 1.00 35.62 N +ATOM 679 CA LYS B 96 21.871 31.528 15.826 1.00 35.57 C +ATOM 680 C LYS B 96 23.249 30.977 15.770 1.00 35.66 C +ATOM 681 O LYS B 96 24.166 31.389 16.533 1.00 36.92 O +ATOM 682 CB LYS B 96 21.030 30.475 16.548 1.00 34.50 C +ATOM 683 CG LYS B 96 19.644 30.971 16.792 1.00 36.02 C +ATOM 684 CD LYS B 96 19.705 32.260 17.550 1.00 38.71 C +ATOM 685 CE LYS B 96 18.705 33.231 17.040 1.00 42.21 C +ATOM 686 NZ LYS B 96 18.352 33.987 18.234 1.00 37.29 N +ATOM 687 N PHE B 97 23.416 29.998 14.906 1.00 34.47 N +ATOM 688 CA PHE B 97 24.682 29.344 14.837 1.00 34.36 C +ATOM 689 C PHE B 97 25.798 30.193 14.143 1.00 35.53 C +ATOM 690 O PHE B 97 27.007 30.082 14.551 1.00 34.50 O +ATOM 691 CB PHE B 97 24.483 27.937 14.325 1.00 35.86 C +ATOM 692 CG PHE B 97 23.939 26.930 15.424 1.00 35.95 C +ATOM 693 CD1 PHE B 97 22.799 26.175 15.198 1.00 31.31 C +ATOM 694 CD2 PHE B 97 24.586 26.782 16.647 1.00 35.41 C +ATOM 695 CE1 PHE B 97 22.336 25.239 16.145 1.00 32.95 C +ATOM 696 CE2 PHE B 97 24.132 25.868 17.613 1.00 35.97 C +ATOM 697 CZ PHE B 97 22.998 25.087 17.372 1.00 33.39 C +ATOM 698 N GLN B 98 25.397 31.121 13.252 1.00 33.24 N +ATOM 699 CA GLN B 98 26.313 32.208 12.799 1.00 35.19 C +ATOM 700 C GLN B 98 26.647 33.311 13.802 1.00 34.21 C +ATOM 701 O GLN B 98 27.747 33.802 13.836 1.00 35.04 O +ATOM 702 CB GLN B 98 25.876 32.820 11.431 1.00 35.03 C +ATOM 703 CG GLN B 98 25.564 31.725 10.407 1.00 36.60 C +ATOM 704 CD GLN B 98 26.252 31.950 9.136 1.00 44.14 C +ATOM 705 OE1 GLN B 98 27.502 32.017 9.155 1.00 47.50 O +ATOM 706 NE2 GLN B 98 25.476 32.033 7.960 1.00 37.24 N +ATOM 707 N GLU B 99 25.693 33.701 14.620 1.00 35.60 N +ATOM 708 CA GLU B 99 25.919 34.590 15.772 1.00 36.89 C +ATOM 709 C GLU B 99 26.832 33.884 16.814 1.00 35.96 C +ATOM 710 O GLU B 99 27.743 34.480 17.333 1.00 36.05 O +ATOM 711 CB GLU B 99 24.538 34.963 16.394 1.00 36.34 C +ATOM 712 CG GLU B 99 23.891 36.135 15.627 1.00 41.73 C +ATOM 713 CD GLU B 99 22.391 36.337 15.898 1.00 41.47 C +ATOM 714 OE1 GLU B 99 21.821 37.355 15.425 1.00 49.54 O +ATOM 715 OE2 GLU B 99 21.774 35.517 16.577 1.00 45.62 O +ATOM 716 N ALA B 100 26.579 32.618 17.101 1.00 34.19 N +ATOM 717 CA ALA B 100 27.449 31.893 18.013 1.00 34.48 C +ATOM 718 C ALA B 100 28.881 31.829 17.523 1.00 34.40 C +ATOM 719 O ALA B 100 29.830 32.067 18.299 1.00 34.84 O +ATOM 720 CB ALA B 100 26.895 30.497 18.288 1.00 33.07 C +ATOM 721 N ARG B 101 29.059 31.539 16.240 1.00 34.64 N +ATOM 722 CA AARG B 101 30.388 31.537 15.624 0.50 34.86 C +ATOM 723 CA BARG B 101 30.403 31.528 15.656 0.50 35.05 C +ATOM 724 C ARG B 101 31.096 32.881 15.783 1.00 35.18 C +ATOM 725 O ARG B 101 32.257 32.936 16.182 1.00 34.34 O +ATOM 726 CB AARG B 101 30.281 31.170 14.143 0.50 34.31 C +ATOM 727 CB BARG B 101 30.369 31.081 14.194 0.50 34.72 C +ATOM 728 CG AARG B 101 31.603 31.016 13.438 0.50 34.98 C +ATOM 729 CG BARG B 101 31.735 30.963 13.534 0.50 36.46 C +ATOM 730 CD AARG B 101 31.420 30.366 12.037 0.50 35.07 C +ATOM 731 CD BARG B 101 31.599 30.878 12.009 0.50 39.47 C +ATOM 732 NE AARG B 101 32.715 30.274 11.366 0.50 35.80 N +ATOM 733 NE BARG B 101 30.460 31.679 11.577 0.50 41.29 N +ATOM 734 CZ AARG B 101 33.018 29.412 10.390 0.50 35.83 C +ATOM 735 CZ BARG B 101 30.384 32.357 10.442 0.50 43.01 C +ATOM 736 NH1AARG B 101 32.119 28.540 9.937 0.50 36.02 N +ATOM 737 NH1BARG B 101 31.392 32.346 9.571 0.50 44.05 N +ATOM 738 NH2AARG B 101 34.230 29.429 9.859 0.50 33.37 N +ATOM 739 NH2BARG B 101 29.281 33.045 10.186 0.50 43.45 N +ATOM 740 N LYS B 102 30.385 33.976 15.452 1.00 36.29 N +ATOM 741 CA LYS B 102 31.000 35.318 15.537 1.00 37.01 C +ATOM 742 C LYS B 102 31.283 35.725 17.009 1.00 36.88 C +ATOM 743 O LYS B 102 32.208 36.481 17.278 1.00 36.81 O +ATOM 744 CB LYS B 102 30.208 36.376 14.722 1.00 37.34 C +ATOM 745 CG LYS B 102 29.970 35.946 13.237 1.00 39.79 C +ATOM 746 CD LYS B 102 29.009 36.812 12.363 1.00 39.65 C +ATOM 747 CE LYS B 102 29.786 37.824 11.454 1.00 42.63 C +ATOM 748 NZ LYS B 102 29.037 38.536 10.309 1.00 42.37 N +ATOM 749 N LEU B 103 30.526 35.180 17.961 1.00 36.66 N +ATOM 750 CA LEU B 103 30.710 35.527 19.350 1.00 36.37 C +ATOM 751 C LEU B 103 31.917 34.764 19.927 1.00 36.58 C +ATOM 752 O LEU B 103 32.717 35.325 20.638 1.00 36.03 O +ATOM 753 CB LEU B 103 29.421 35.309 20.139 1.00 36.02 C +ATOM 754 CG LEU B 103 29.538 35.421 21.665 1.00 36.10 C +ATOM 755 CD1 LEU B 103 29.892 36.840 22.158 1.00 33.14 C +ATOM 756 CD2 LEU B 103 28.243 34.982 22.248 1.00 37.18 C +ATOM 757 N VAL B 104 32.058 33.490 19.571 1.00 36.62 N +ATOM 758 CA VAL B 104 33.305 32.772 19.750 1.00 36.63 C +ATOM 759 C VAL B 104 34.537 33.472 19.100 1.00 38.31 C +ATOM 760 O VAL B 104 35.566 33.697 19.761 1.00 37.88 O +ATOM 761 CB VAL B 104 33.154 31.340 19.256 1.00 36.23 C +ATOM 762 CG1 VAL B 104 34.495 30.629 19.195 1.00 35.54 C +ATOM 763 CG2 VAL B 104 32.185 30.575 20.158 1.00 35.67 C +ATOM 764 N GLU B 105 34.468 33.770 17.809 1.00 39.39 N +ATOM 765 CA GLU B 105 35.578 34.450 17.164 1.00 40.80 C +ATOM 766 C GLU B 105 35.938 35.653 18.020 1.00 41.91 C +ATOM 767 O GLU B 105 37.085 35.808 18.421 1.00 42.35 O +ATOM 768 CB GLU B 105 35.204 34.884 15.748 1.00 40.76 C +ATOM 769 N ARG B 106 34.922 36.442 18.370 1.00 43.25 N +ATOM 770 CA ARG B 106 35.085 37.723 19.047 1.00 44.44 C +ATOM 771 C ARG B 106 35.711 37.689 20.427 1.00 45.03 C +ATOM 772 O ARG B 106 36.274 38.687 20.870 1.00 45.26 O +ATOM 773 CB ARG B 106 33.757 38.469 19.130 1.00 44.29 C +ATOM 774 CG ARG B 106 33.955 39.980 19.080 1.00 46.24 C +ATOM 775 CD ARG B 106 33.110 40.682 20.097 1.00 48.16 C +ATOM 776 NE ARG B 106 31.691 40.454 19.852 1.00 50.80 N +ATOM 777 CZ ARG B 106 30.726 40.809 20.699 1.00 53.22 C +ATOM 778 NH1 ARG B 106 31.041 41.419 21.849 1.00 53.48 N +ATOM 779 NH2 ARG B 106 29.448 40.553 20.400 1.00 52.37 N +ATOM 780 N LEU B 107 35.606 36.547 21.096 1.00 45.99 N +ATOM 781 CA LEU B 107 36.143 36.374 22.437 1.00 46.87 C +ATOM 782 C LEU B 107 37.633 36.043 22.435 1.00 48.55 C +ATOM 783 O LEU B 107 38.391 36.642 23.207 1.00 49.18 O +ATOM 784 CB LEU B 107 35.329 35.345 23.243 1.00 46.21 C +ATOM 785 CG LEU B 107 33.863 35.738 23.497 1.00 44.20 C +ATOM 786 CD1 LEU B 107 33.103 34.705 24.280 1.00 42.78 C +ATOM 787 CD2 LEU B 107 33.733 37.072 24.184 1.00 43.48 C +ATOM 788 N GLY B 108 38.063 35.125 21.568 1.00 50.18 N +ATOM 789 CA GLY B 108 39.483 34.749 21.474 1.00 52.03 C +ATOM 790 C GLY B 108 40.453 35.930 21.525 1.00 53.54 C +ATOM 791 O GLY B 108 41.580 35.822 22.069 1.00 53.36 O +ATOM 792 N LEU B 109 40.005 37.062 20.965 1.00 54.73 N +ATOM 793 CA LEU B 109 40.801 38.303 20.916 1.00 55.63 C +ATOM 794 C LEU B 109 40.896 38.935 22.316 1.00 55.73 C +ATOM 795 O LEU B 109 41.963 38.936 22.956 1.00 55.47 O +ATOM 796 CB LEU B 109 40.201 39.299 19.902 1.00 55.75 C +ATOM 797 CG LEU B 109 39.449 38.800 18.649 1.00 57.32 C +ATOM 798 CD1 LEU B 109 38.683 39.964 17.971 1.00 58.21 C +ATOM 799 CD2 LEU B 109 40.352 38.069 17.629 1.00 57.97 C Added: SwiftApps/modFTdock/input/3brt-3.pdb =================================================================== --- SwiftApps/modFTdock/input/3brt-3.pdb (rev 0) +++ SwiftApps/modFTdock/input/3brt-3.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,799 @@ +ATOM 1 N PRO C 701 -23.009 20.773 -7.746 1.00 80.66 N +ATOM 2 CA PRO C 701 -23.117 19.886 -8.916 1.00 80.63 C +ATOM 3 C PRO C 701 -22.102 18.726 -8.910 1.00 80.34 C +ATOM 4 O PRO C 701 -20.887 18.943 -8.822 1.00 80.22 O +ATOM 5 CB PRO C 701 -22.886 20.841 -10.094 1.00 80.66 C +ATOM 6 CG PRO C 701 -23.464 22.160 -9.600 1.00 80.77 C +ATOM 7 CD PRO C 701 -23.363 22.168 -8.072 1.00 80.79 C +ATOM 8 N ALA C 702 -22.617 17.499 -8.982 1.00 80.34 N +ATOM 9 CA ALA C 702 -21.799 16.282 -8.896 1.00 80.11 C +ATOM 10 C ALA C 702 -20.812 16.195 -10.054 1.00 79.90 C +ATOM 11 O ALA C 702 -21.217 16.210 -11.219 1.00 79.53 O +ATOM 12 CB ALA C 702 -22.689 15.038 -8.865 1.00 80.30 C +ATOM 13 N LYS C 703 -19.520 16.110 -9.720 1.00 79.59 N +ATOM 14 CA LYS C 703 -18.445 16.075 -10.723 1.00 79.11 C +ATOM 15 C LYS C 703 -18.629 14.923 -11.727 1.00 78.59 C +ATOM 16 O LYS C 703 -19.154 13.857 -11.373 1.00 78.57 O +ATOM 17 CB LYS C 703 -17.067 16.050 -10.030 1.00 78.97 C +ATOM 18 N LYS C 704 -18.249 15.139 -12.985 1.00 78.49 N +ATOM 19 CA LYS C 704 -18.214 14.035 -13.967 1.00 78.28 C +ATOM 20 C LYS C 704 -17.045 13.037 -13.670 1.00 79.56 C +ATOM 21 O LYS C 704 -16.091 13.443 -13.002 1.00 77.02 O +ATOM 22 CB LYS C 704 -18.102 14.628 -15.379 1.00 79.51 C +ATOM 23 N SER C 705 -17.133 11.758 -14.132 1.00 81.81 N +ATOM 24 CA SER C 705 -16.035 10.740 -13.964 1.00 82.82 C +ATOM 25 C SER C 705 -14.644 11.353 -14.400 1.00 80.99 C +ATOM 26 O SER C 705 -13.485 11.366 -13.499 1.00 85.03 O +ATOM 27 CB SER C 705 -16.299 9.431 -14.791 1.00 84.31 C +ATOM 28 OG SER C 705 -14.936 9.004 -15.077 1.00 93.98 O +ATOM 29 N GLU C 706 -14.774 11.884 -15.775 1.00 76.29 N +ATOM 30 CA GLU C 706 -13.519 12.616 -16.266 1.00 68.90 C +ATOM 31 C GLU C 706 -12.887 13.591 -15.254 1.00 61.95 C +ATOM 32 O GLU C 706 -11.658 13.630 -15.089 1.00 59.75 O +ATOM 33 CB GLU C 706 -13.783 13.414 -17.568 1.00 68.65 C +ATOM 34 CG GLU C 706 -14.394 12.613 -18.712 1.00 69.81 C +ATOM 35 CD GLU C 706 -15.934 12.611 -18.691 1.00 70.55 C +ATOM 36 OE1 GLU C 706 -16.528 12.455 -17.592 1.00 71.35 O +ATOM 37 OE2 GLU C 706 -16.553 12.763 -19.779 1.00 70.01 O +ATOM 38 N GLU C 707 -13.742 14.393 -14.622 1.00 54.74 N +ATOM 39 CA GLU C 707 -13.339 15.486 -13.732 1.00 48.07 C +ATOM 40 C GLU C 707 -12.704 14.962 -12.460 1.00 43.21 C +ATOM 41 O GLU C 707 -11.651 15.425 -12.069 1.00 40.61 O +ATOM 42 CB GLU C 707 -14.521 16.408 -13.418 1.00 48.31 C +ATOM 43 CG GLU C 707 -14.974 17.243 -14.619 1.00 47.68 C +ATOM 44 CD GLU C 707 -16.296 17.984 -14.385 1.00 48.67 C +ATOM 45 OE1 GLU C 707 -17.290 17.366 -13.921 1.00 50.32 O +ATOM 46 OE2 GLU C 707 -16.355 19.191 -14.694 1.00 47.97 O +ATOM 47 N LEU C 708 -13.342 13.966 -11.851 1.00 39.21 N +ATOM 48 CA LEU C 708 -12.762 13.188 -10.749 1.00 35.80 C +ATOM 49 C LEU C 708 -11.404 12.550 -11.071 1.00 33.26 C +ATOM 50 O LEU C 708 -10.527 12.507 -10.248 1.00 33.79 O +ATOM 51 CB LEU C 708 -13.740 12.096 -10.316 1.00 34.33 C +ATOM 52 CG LEU C 708 -15.013 12.552 -9.643 1.00 36.48 C +ATOM 53 CD1 LEU C 708 -15.825 11.321 -9.312 1.00 37.75 C +ATOM 54 CD2 LEU C 708 -14.754 13.408 -8.361 1.00 35.89 C +ATOM 55 N VAL C 709 -11.261 12.014 -12.269 1.00 30.47 N +ATOM 56 CA VAL C 709 -10.042 11.331 -12.663 1.00 27.73 C +ATOM 57 C VAL C 709 -8.933 12.369 -12.830 1.00 27.53 C +ATOM 58 O VAL C 709 -7.770 12.152 -12.365 1.00 28.56 O +ATOM 59 CB VAL C 709 -10.293 10.422 -13.921 1.00 27.50 C +ATOM 60 CG1 VAL C 709 -8.993 10.004 -14.667 1.00 25.86 C +ATOM 61 CG2 VAL C 709 -11.046 9.158 -13.517 1.00 26.35 C +ATOM 62 N ALA C 710 -9.267 13.501 -13.445 1.00 24.63 N +ATOM 63 CA ALA C 710 -8.308 14.541 -13.581 1.00 24.84 C +ATOM 64 C ALA C 710 -7.914 15.196 -12.254 1.00 24.38 C +ATOM 65 O ALA C 710 -6.739 15.483 -12.103 1.00 24.65 O +ATOM 66 CB ALA C 710 -8.770 15.610 -14.601 1.00 25.71 C +ATOM 67 N GLU C 711 -8.839 15.463 -11.314 1.00 24.85 N +ATOM 68 CA GLU C 711 -8.451 16.063 -9.983 1.00 24.85 C +ATOM 69 C GLU C 711 -7.472 15.104 -9.317 1.00 24.74 C +ATOM 70 O GLU C 711 -6.409 15.458 -8.864 1.00 25.96 O +ATOM 71 CB GLU C 711 -9.675 16.276 -9.072 1.00 24.79 C +ATOM 72 N ALA C 712 -7.809 13.841 -9.297 1.00 25.13 N +ATOM 73 CA ALA C 712 -6.930 12.823 -8.632 1.00 26.35 C +ATOM 74 C ALA C 712 -5.510 12.822 -9.227 1.00 26.31 C +ATOM 75 O ALA C 712 -4.496 12.708 -8.507 1.00 26.50 O +ATOM 76 CB ALA C 712 -7.567 11.375 -8.772 1.00 23.04 C +ATOM 77 N HIS C 713 -5.425 12.930 -10.555 1.00 24.68 N +ATOM 78 CA HIS C 713 -4.107 13.041 -11.179 1.00 21.68 C +ATOM 79 C HIS C 713 -3.372 14.300 -10.751 1.00 20.41 C +ATOM 80 O HIS C 713 -2.138 14.275 -10.446 1.00 18.00 O +ATOM 81 CB HIS C 713 -4.240 13.036 -12.675 1.00 21.67 C +ATOM 82 CG HIS C 713 -2.919 13.097 -13.367 1.00 25.55 C +ATOM 83 ND1 HIS C 713 -2.638 14.012 -14.354 1.00 27.24 N +ATOM 84 CD2 HIS C 713 -1.801 12.343 -13.227 1.00 29.08 C +ATOM 85 CE1 HIS C 713 -1.410 13.820 -14.804 1.00 26.20 C +ATOM 86 NE2 HIS C 713 -0.876 12.817 -14.133 1.00 29.72 N +ATOM 87 N ASN C 714 -4.137 15.392 -10.693 1.00 19.46 N +ATOM 88 CA ASN C 714 -3.593 16.706 -10.250 1.00 19.92 C +ATOM 89 C ASN C 714 -3.080 16.643 -8.852 1.00 22.57 C +ATOM 90 O ASN C 714 -2.021 17.116 -8.567 1.00 20.34 O +ATOM 91 CB ASN C 714 -4.695 17.763 -10.324 1.00 18.32 C +ATOM 92 CG ASN C 714 -5.073 18.092 -11.746 1.00 14.95 C +ATOM 93 OD1 ASN C 714 -4.263 17.942 -12.630 1.00 9.14 O +ATOM 94 ND2 ASN C 714 -6.272 18.583 -11.960 1.00 9.99 N +ATOM 95 N LEU C 715 -3.874 16.038 -7.955 1.00 28.66 N +ATOM 96 CA LEU C 715 -3.582 16.072 -6.523 1.00 30.79 C +ATOM 97 C LEU C 715 -2.415 15.089 -6.238 1.00 31.35 C +ATOM 98 O LEU C 715 -1.495 15.384 -5.499 1.00 31.55 O +ATOM 99 CB LEU C 715 -4.854 15.674 -5.781 1.00 31.76 C +ATOM 100 CG LEU C 715 -5.897 16.754 -5.887 1.00 32.08 C +ATOM 101 CD1 LEU C 715 -7.106 16.165 -5.236 1.00 32.14 C +ATOM 102 CD2 LEU C 715 -5.438 18.012 -5.046 1.00 30.32 C +ATOM 103 N CYS C 716 -2.399 13.969 -6.931 1.00 33.55 N +ATOM 104 CA CYS C 716 -1.233 13.036 -6.899 1.00 35.07 C +ATOM 105 C CYS C 716 0.149 13.625 -7.241 1.00 34.06 C +ATOM 106 O CYS C 716 1.140 13.315 -6.542 1.00 34.73 O +ATOM 107 CB CYS C 716 -1.447 11.921 -7.914 1.00 36.18 C +ATOM 108 SG CYS C 716 -2.303 10.657 -7.256 1.00 46.43 S +ATOM 109 N THR C 717 0.229 14.326 -8.375 1.00 32.24 N +ATOM 110 CA THR C 717 1.437 15.039 -8.820 1.00 32.50 C +ATOM 111 C THR C 717 1.826 16.116 -7.784 1.00 33.52 C +ATOM 112 O THR C 717 2.997 16.244 -7.387 1.00 34.98 O +ATOM 113 CB THR C 717 1.172 15.760 -10.193 1.00 34.22 C +ATOM 114 OG1 THR C 717 0.567 14.836 -11.115 1.00 33.12 O +ATOM 115 CG2 THR C 717 2.501 16.429 -10.815 1.00 30.40 C +ATOM 116 N LEU C 718 0.855 16.903 -7.354 1.00 33.35 N +ATOM 117 CA LEU C 718 1.060 17.915 -6.283 1.00 33.70 C +ATOM 118 C LEU C 718 1.630 17.254 -5.008 1.00 33.25 C +ATOM 119 O LEU C 718 2.637 17.720 -4.513 1.00 33.61 O +ATOM 120 CB LEU C 718 -0.227 18.746 -6.061 1.00 33.73 C +ATOM 121 CG LEU C 718 -0.808 19.272 -7.450 1.00 39.48 C +ATOM 122 CD1 LEU C 718 -1.970 20.240 -7.360 1.00 40.37 C +ATOM 123 CD2 LEU C 718 0.218 19.690 -8.577 1.00 37.56 C +ATOM 124 N LEU C 719 1.056 16.129 -4.548 1.00 32.27 N +ATOM 125 CA LEU C 719 1.618 15.354 -3.426 1.00 31.98 C +ATOM 126 C LEU C 719 3.030 14.810 -3.649 1.00 31.88 C +ATOM 127 O LEU C 719 3.865 14.955 -2.799 1.00 30.46 O +ATOM 128 CB LEU C 719 0.703 14.143 -3.064 1.00 33.70 C +ATOM 129 CG LEU C 719 1.135 13.381 -1.787 1.00 29.81 C +ATOM 130 CD1 LEU C 719 0.734 14.103 -0.522 1.00 26.26 C +ATOM 131 CD2 LEU C 719 0.581 11.943 -1.825 1.00 30.50 C +ATOM 132 N GLU C 720 3.315 14.206 -4.805 1.00 33.01 N +ATOM 133 CA GLU C 720 4.669 13.728 -5.081 1.00 33.65 C +ATOM 134 C GLU C 720 5.640 14.825 -4.937 1.00 32.45 C +ATOM 135 O GLU C 720 6.676 14.663 -4.336 1.00 34.11 O +ATOM 136 CB GLU C 720 4.853 13.238 -6.539 1.00 33.53 C +ATOM 137 CG GLU C 720 4.357 11.895 -6.874 1.00 36.51 C +ATOM 138 CD GLU C 720 4.823 11.475 -8.292 1.00 37.90 C +ATOM 139 OE1 GLU C 720 4.511 12.236 -9.265 1.00 40.82 O +ATOM 140 OE2 GLU C 720 5.492 10.404 -8.422 1.00 33.69 O +ATOM 141 N ASN C 721 5.378 15.907 -5.630 1.00 32.01 N +ATOM 142 CA ASN C 721 6.353 16.964 -5.713 1.00 32.35 C +ATOM 143 C ASN C 721 6.512 17.622 -4.331 1.00 32.36 C +ATOM 144 O ASN C 721 7.590 18.092 -4.009 1.00 32.13 O +ATOM 145 CB ASN C 721 5.928 17.996 -6.786 1.00 32.25 C +ATOM 146 CG ASN C 721 6.316 17.541 -8.217 1.00 32.50 C +ATOM 147 OD1 ASN C 721 7.491 17.327 -8.510 1.00 31.15 O +ATOM 148 ND2 ASN C 721 5.334 17.369 -9.073 1.00 29.76 N +ATOM 149 N ALA C 722 5.426 17.664 -3.562 1.00 31.59 N +ATOM 150 CA ALA C 722 5.427 18.291 -2.249 1.00 33.82 C +ATOM 151 C ALA C 722 6.242 17.384 -1.380 1.00 34.52 C +ATOM 152 O ALA C 722 7.037 17.852 -0.624 1.00 35.85 O +ATOM 153 CB ALA C 722 3.991 18.491 -1.708 1.00 32.61 C +ATOM 154 N ILE C 723 6.112 16.080 -1.551 1.00 35.01 N +ATOM 155 CA ILE C 723 6.931 15.178 -0.788 1.00 35.90 C +ATOM 156 C ILE C 723 8.364 15.176 -1.221 1.00 36.36 C +ATOM 157 O ILE C 723 9.236 15.199 -0.353 1.00 37.65 O +ATOM 158 CB ILE C 723 6.358 13.695 -0.711 1.00 36.69 C +ATOM 159 CG1 ILE C 723 5.156 13.637 0.246 1.00 37.64 C +ATOM 160 CG2 ILE C 723 7.443 12.707 -0.199 1.00 36.33 C +ATOM 161 CD1 ILE C 723 4.349 12.365 0.225 1.00 36.17 C +ATOM 162 N GLN C 724 8.660 15.099 -2.522 1.00 35.73 N +ATOM 163 CA GLN C 724 10.075 15.001 -2.908 1.00 36.16 C +ATOM 164 C GLN C 724 10.846 16.264 -2.486 1.00 36.52 C +ATOM 165 O GLN C 724 12.013 16.180 -2.128 1.00 36.48 O +ATOM 166 CB GLN C 724 10.290 14.709 -4.425 1.00 35.99 C +ATOM 167 N ASP C 725 10.215 17.428 -2.591 1.00 37.49 N +ATOM 168 CA ASP C 725 10.856 18.702 -2.210 1.00 39.38 C +ATOM 169 C ASP C 725 11.182 18.777 -0.707 1.00 39.31 C +ATOM 170 O ASP C 725 12.231 19.308 -0.327 1.00 39.08 O +ATOM 171 CB ASP C 725 9.967 19.880 -2.614 1.00 40.02 C +ATOM 172 CG ASP C 725 9.767 19.964 -4.131 1.00 44.17 C +ATOM 173 OD1 ASP C 725 10.751 19.753 -4.880 1.00 45.19 O +ATOM 174 OD2 ASP C 725 8.626 20.242 -4.574 1.00 49.53 O +ATOM 175 N THR C 726 10.266 18.252 0.115 1.00 39.45 N +ATOM 176 CA THR C 726 10.444 18.107 1.568 1.00 40.10 C +ATOM 177 C THR C 726 11.634 17.241 1.890 1.00 40.34 C +ATOM 178 O THR C 726 12.535 17.695 2.606 1.00 41.50 O +ATOM 179 CB THR C 726 9.182 17.500 2.237 1.00 40.18 C +ATOM 180 OG1 THR C 726 8.024 18.201 1.771 1.00 39.32 O +ATOM 181 CG2 THR C 726 9.272 17.618 3.741 1.00 40.41 C +ATOM 182 N VAL C 727 11.634 16.003 1.387 1.00 40.42 N +ATOM 183 CA VAL C 727 12.818 15.119 1.404 1.00 41.11 C +ATOM 184 C VAL C 727 14.139 15.776 0.891 1.00 41.60 C +ATOM 185 O VAL C 727 15.180 15.708 1.550 1.00 41.64 O +ATOM 186 CB VAL C 727 13.234 14.310 0.868 0.00 54.92 C +ATOM 187 CG1 VAL C 727 11.896 13.631 0.848 0.00 56.90 C +ATOM 188 CG2 VAL C 727 13.745 14.660 -0.512 0.00 54.87 C +ATOM 189 N ARG C 728 14.094 16.418 -0.268 1.00 42.11 N +ATOM 190 CA ARG C 728 15.292 17.070 -0.853 1.00 43.14 C +ATOM 191 C ARG C 728 15.851 18.246 -0.033 1.00 43.69 C +ATOM 192 O ARG C 728 17.051 18.271 0.290 1.00 43.62 O +ATOM 193 CB ARG C 728 15.034 17.526 -2.300 1.00 42.29 C +ATOM 194 N GLU C 729 14.986 19.222 0.273 1.00 44.78 N +ATOM 195 CA GLU C 729 15.378 20.437 1.015 1.00 45.51 C +ATOM 196 C GLU C 729 16.068 20.131 2.337 1.00 46.16 C +ATOM 197 O GLU C 729 17.168 20.636 2.576 1.00 46.78 O +ATOM 198 CB GLU C 729 14.182 21.367 1.247 1.00 45.69 C +ATOM 199 N GLN C 730 15.464 19.279 3.184 1.00 46.42 N +ATOM 200 CA GLN C 730 16.086 18.915 4.481 1.00 46.26 C +ATOM 201 C GLN C 730 17.435 18.213 4.336 1.00 46.21 C +ATOM 202 O GLN C 730 18.274 18.287 5.241 1.00 46.08 O +ATOM 203 CB GLN C 730 15.164 18.042 5.317 1.00 46.73 C +ATOM 204 N GLY C 731 17.609 17.538 3.195 1.00 46.58 N +ATOM 205 CA GLY C 731 18.856 16.876 2.782 1.00 46.90 C +ATOM 206 C GLY C 731 19.995 17.821 2.430 1.00 47.16 C +ATOM 207 O GLY C 731 21.089 17.368 2.062 1.00 47.88 O +ATOM 208 N ASN C 732 19.740 19.132 2.485 1.00 46.60 N +ATOM 209 CA ASN C 732 20.831 20.092 2.583 1.00 45.91 C +ATOM 210 C ASN C 732 21.001 20.319 4.091 1.00 45.02 C +ATOM 211 O ASN C 732 20.427 21.217 4.690 1.00 45.04 O +ATOM 212 CB ASN C 732 20.567 21.392 1.808 1.00 46.03 C +ATOM 213 CG ASN C 732 21.814 22.319 1.736 1.00 48.87 C +ATOM 214 OD1 ASN C 732 21.754 23.398 1.144 1.00 51.12 O +ATOM 215 ND2 ASN C 732 22.938 21.903 2.353 1.00 52.40 N +ATOM 216 N SER C 733 21.800 19.457 4.682 1.00 44.17 N +ATOM 217 CA SER C 733 21.866 19.294 6.108 1.00 43.82 C +ATOM 218 C SER C 733 22.707 20.399 6.765 1.00 43.02 C +ATOM 219 O SER C 733 23.759 20.822 6.252 1.00 41.26 O +ATOM 220 CB SER C 733 22.455 17.916 6.409 1.00 43.38 C +ATOM 221 OG SER C 733 22.272 17.573 7.775 1.00 45.58 O +ATOM 222 N MET C 734 22.254 20.854 7.925 1.00 42.75 N +ATOM 223 CA MET C 734 23.165 21.651 8.747 1.00 42.22 C +ATOM 224 C MET C 734 24.357 20.823 9.260 1.00 42.52 C +ATOM 225 O MET C 734 25.365 21.376 9.687 1.00 41.73 O +ATOM 226 CB MET C 734 22.401 22.357 9.840 1.00 42.93 C +ATOM 227 CG MET C 734 21.406 23.432 9.296 1.00 40.65 C +ATOM 228 SD MET C 734 20.787 24.479 10.629 1.00 41.88 S +ATOM 229 CE MET C 734 22.395 25.038 11.252 1.00 35.94 C +ATOM 230 N MET C 735 24.287 19.496 9.114 1.00 43.68 N +ATOM 231 CA MET C 735 25.444 18.617 9.397 1.00 45.27 C +ATOM 232 C MET C 735 26.621 18.796 8.407 1.00 45.78 C +ATOM 233 O MET C 735 27.711 18.261 8.621 1.00 46.28 O +ATOM 234 CB MET C 735 25.017 17.136 9.435 1.00 45.34 C +ATOM 235 CG MET C 735 23.819 16.753 10.394 1.00 45.77 C +ATOM 236 SD MET C 735 23.558 14.941 10.649 1.00 47.82 S +ATOM 237 CE MET C 735 23.565 14.326 8.961 1.00 48.57 C +ATOM 238 N ASN C 736 26.408 19.519 7.308 1.00 46.04 N +ATOM 239 CA ASN C 736 27.459 19.682 6.296 1.00 46.97 C +ATOM 240 C ASN C 736 28.213 21.004 6.407 1.00 46.56 C +ATOM 241 O ASN C 736 29.146 21.280 5.669 1.00 45.89 O +ATOM 242 CB ASN C 736 26.892 19.491 4.882 1.00 47.24 C +ATOM 243 CG ASN C 736 26.452 18.052 4.634 1.00 49.95 C +ATOM 244 OD1 ASN C 736 27.116 17.101 5.079 1.00 53.46 O +ATOM 245 ND2 ASN C 736 25.323 17.883 3.943 1.00 50.38 N +ATOM 246 N LEU C 737 27.812 21.807 7.366 1.00 46.16 N +ATOM 247 CA LEU C 737 28.477 23.049 7.609 1.00 46.92 C +ATOM 248 C LEU C 737 29.806 22.824 8.350 1.00 47.35 C +ATOM 249 O LEU C 737 30.079 21.703 8.798 1.00 46.84 O +ATOM 250 CB LEU C 737 27.526 23.949 8.395 1.00 47.12 C +ATOM 251 CG LEU C 737 26.402 24.749 7.706 1.00 46.49 C +ATOM 252 CD1 LEU C 737 26.181 24.539 6.220 1.00 49.41 C +ATOM 253 CD2 LEU C 737 25.145 24.516 8.470 1.00 42.83 C +ATOM 254 N ASP C 738 30.638 23.874 8.425 1.00 48.24 N +ATOM 255 CA ASP C 738 31.902 23.837 9.165 1.00 48.79 C +ATOM 256 C ASP C 738 31.583 24.137 10.631 1.00 48.45 C +ATOM 257 O ASP C 738 31.120 25.237 10.968 1.00 48.16 O +ATOM 258 CB ASP C 738 32.881 24.882 8.630 1.00 49.89 C +ATOM 259 CG ASP C 738 34.303 24.761 9.245 1.00 52.76 C +ATOM 260 OD1 ASP C 738 35.048 23.861 8.803 1.00 56.74 O +ATOM 261 OD2 ASP C 738 34.699 25.583 10.125 1.00 54.51 O +ATOM 262 N TRP C 739 31.814 23.134 11.478 1.00 47.44 N +ATOM 263 CA TRP C 739 31.527 23.222 12.876 1.00 47.35 C +ATOM 264 C TRP C 739 32.810 23.323 13.677 1.00 47.86 C +ATOM 265 O TRP C 739 32.798 23.207 14.892 1.00 48.30 O +ATOM 266 CB TRP C 739 30.725 21.994 13.283 1.00 46.54 C +ATOM 267 CG TRP C 739 29.326 22.087 12.836 1.00 45.95 C +ATOM 268 CD1 TRP C 739 28.736 21.442 11.764 1.00 46.09 C +ATOM 269 CD2 TRP C 739 28.323 22.910 13.412 1.00 45.79 C +ATOM 270 NE1 TRP C 739 27.412 21.829 11.659 1.00 46.01 N +ATOM 271 CE2 TRP C 739 27.133 22.708 12.671 1.00 45.01 C +ATOM 272 CE3 TRP C 739 28.304 23.800 14.509 1.00 47.47 C +ATOM 273 CZ2 TRP C 739 25.947 23.346 12.993 1.00 46.03 C +ATOM 274 CZ3 TRP C 739 27.122 24.456 14.820 1.00 44.60 C +ATOM 275 CH2 TRP C 739 25.961 24.230 14.061 1.00 46.40 C +ATOM 276 N SER C 740 33.920 23.552 12.990 1.00 47.39 N +ATOM 277 CA SER C 740 35.231 23.393 13.594 1.00 46.84 C +ATOM 278 C SER C 740 35.649 24.600 14.393 1.00 46.86 C +ATOM 279 O SER C 740 36.597 24.521 15.150 1.00 47.63 O +ATOM 280 CB SER C 740 36.282 23.066 12.519 1.00 46.42 C +ATOM 281 OG SER C 740 36.445 24.160 11.640 1.00 44.70 O +ATOM 282 N TRP C 741 34.961 25.720 14.216 1.00 47.07 N +ATOM 283 CA TRP C 741 35.082 26.858 15.123 1.00 46.85 C +ATOM 284 C TRP C 741 34.740 26.454 16.579 1.00 48.24 C +ATOM 285 O TRP C 741 35.020 27.201 17.544 1.00 48.13 O +ATOM 286 CB TRP C 741 34.210 28.032 14.659 1.00 45.75 C +ATOM 287 CG TRP C 741 32.761 27.692 14.498 1.00 43.71 C +ATOM 288 CD1 TRP C 741 32.153 27.219 13.372 1.00 41.46 C +ATOM 289 CD2 TRP C 741 31.736 27.757 15.516 1.00 43.68 C +ATOM 290 NE1 TRP C 741 30.820 26.980 13.623 1.00 42.70 N +ATOM 291 CE2 TRP C 741 30.539 27.312 14.930 1.00 42.83 C +ATOM 292 CE3 TRP C 741 31.715 28.167 16.863 1.00 42.03 C +ATOM 293 CZ2 TRP C 741 29.325 27.279 15.641 1.00 45.09 C +ATOM 294 CZ3 TRP C 741 30.501 28.132 17.558 1.00 41.84 C +ATOM 295 CH2 TRP C 741 29.335 27.680 16.953 1.00 42.28 C +ATOM 296 N LEU C 742 34.169 25.260 16.729 1.00 49.54 N +ATOM 297 CA LEU C 742 33.719 24.780 18.020 1.00 51.08 C +ATOM 298 C LEU C 742 34.857 24.073 18.759 1.00 52.74 C +ATOM 299 O LEU C 742 34.745 23.763 19.950 1.00 53.79 O +ATOM 300 CB LEU C 742 32.480 23.888 17.856 1.00 51.02 C +ATOM 301 CG LEU C 742 31.066 24.466 18.067 1.00 50.94 C +ATOM 302 CD1 LEU C 742 30.022 23.416 17.787 1.00 50.38 C +ATOM 303 CD2 LEU C 742 30.871 24.997 19.491 1.00 48.26 C +ATOM 304 N THR C 743 35.952 23.798 18.040 1.00 54.35 N +ATOM 305 CA THR C 743 37.258 23.487 18.668 1.00 54.94 C +ATOM 306 C THR C 743 38.427 23.943 17.773 1.00 55.03 C +ATOM 307 O THR C 743 39.157 24.889 18.108 1.00 54.97 O +ATOM 308 CB THR C 743 37.398 21.990 19.006 1.00 55.37 C +ATOM 309 OG1 THR C 743 36.101 21.377 19.008 1.00 56.25 O +ATOM 310 CG2 THR C 743 38.068 21.807 20.374 1.00 55.62 C +ATOM 312 N GLU D 49 -29.020 4.227 -24.639 1.00 57.62 N +ATOM 313 CA GLU D 49 -28.310 3.151 -23.874 1.00 57.70 C +ATOM 314 C GLU D 49 -26.969 3.590 -23.235 1.00 57.04 C +ATOM 315 O GLU D 49 -26.070 4.113 -23.925 1.00 57.38 O +ATOM 316 CB GLU D 49 -28.105 1.931 -24.772 1.00 58.44 C +ATOM 317 CG GLU D 49 -28.145 0.600 -24.024 1.00 59.86 C +ATOM 318 CD GLU D 49 -26.950 -0.272 -24.353 1.00 60.89 C +ATOM 319 OE1 GLU D 49 -27.175 -1.383 -24.901 1.00 59.65 O +ATOM 320 OE2 GLU D 49 -25.799 0.180 -24.075 1.00 60.26 O +ATOM 321 N THR D 50 -26.835 3.332 -21.926 1.00 55.42 N +ATOM 322 CA THR D 50 -25.773 3.901 -21.097 1.00 53.48 C +ATOM 323 C THR D 50 -24.844 2.891 -20.399 1.00 52.07 C +ATOM 324 O THR D 50 -23.960 3.268 -19.647 1.00 51.74 O +ATOM 325 CB THR D 50 -26.380 4.845 -20.047 1.00 53.88 C +ATOM 326 OG1 THR D 50 -27.305 4.114 -19.227 1.00 53.93 O +ATOM 327 CG2 THR D 50 -27.120 6.034 -20.728 1.00 54.53 C +ATOM 328 N LEU D 51 -25.025 1.605 -20.650 1.00 50.81 N +ATOM 329 CA LEU D 51 -24.110 0.590 -20.087 1.00 49.17 C +ATOM 330 C LEU D 51 -22.646 0.727 -20.555 1.00 48.37 C +ATOM 331 O LEU D 51 -21.730 0.773 -19.712 1.00 47.44 O +ATOM 332 CB LEU D 51 -24.637 -0.826 -20.326 1.00 48.60 C +ATOM 333 CG LEU D 51 -23.932 -1.941 -19.564 1.00 49.08 C +ATOM 334 CD1 LEU D 51 -23.667 -1.597 -18.088 1.00 48.49 C +ATOM 335 CD2 LEU D 51 -24.729 -3.247 -19.705 1.00 48.83 C +ATOM 336 N GLN D 52 -22.438 0.798 -21.878 1.00 47.03 N +ATOM 337 CA GLN D 52 -21.134 1.131 -22.451 1.00 46.72 C +ATOM 338 C GLN D 52 -20.420 2.351 -21.768 1.00 45.66 C +ATOM 339 O GLN D 52 -19.230 2.258 -21.456 1.00 44.95 O +ATOM 340 CB GLN D 52 -21.213 1.285 -23.981 1.00 46.57 C +ATOM 341 CG GLN D 52 -21.540 2.701 -24.492 1.00 48.35 C +ATOM 342 CD GLN D 52 -21.838 2.784 -26.006 1.00 49.25 C +ATOM 343 OE1 GLN D 52 -22.463 3.756 -26.476 1.00 50.95 O +ATOM 344 NE2 GLN D 52 -21.394 1.768 -26.772 1.00 51.50 N +ATOM 345 N ARG D 53 -21.139 3.454 -21.539 1.00 44.65 N +ATOM 346 CA ARG D 53 -20.556 4.650 -20.901 1.00 44.73 C +ATOM 347 C ARG D 53 -20.155 4.350 -19.457 1.00 43.89 C +ATOM 348 O ARG D 53 -19.110 4.774 -19.012 1.00 44.22 O +ATOM 349 CB ARG D 53 -21.506 5.860 -20.939 1.00 44.66 C +ATOM 350 N CYS D 54 -20.993 3.580 -18.774 1.00 42.76 N +ATOM 351 CA CYS D 54 -20.764 3.106 -17.446 1.00 41.00 C +ATOM 352 C CYS D 54 -19.566 2.194 -17.304 1.00 40.29 C +ATOM 353 O CYS D 54 -18.805 2.324 -16.345 1.00 40.95 O +ATOM 354 CB CYS D 54 -21.997 2.403 -16.954 1.00 41.51 C +ATOM 355 SG CYS D 54 -21.840 2.001 -15.262 1.00 45.42 S +ATOM 356 N LEU D 55 -19.359 1.293 -18.264 1.00 39.01 N +ATOM 357 CA LEU D 55 -18.253 0.346 -18.215 1.00 37.47 C +ATOM 358 C LEU D 55 -16.933 1.035 -18.560 1.00 36.98 C +ATOM 359 O LEU D 55 -15.896 0.753 -17.941 1.00 36.15 O +ATOM 360 CB LEU D 55 -18.527 -0.874 -19.142 1.00 37.55 C +ATOM 361 CG LEU D 55 -19.514 -1.951 -18.621 1.00 36.83 C +ATOM 362 CD1 LEU D 55 -20.120 -2.758 -19.741 1.00 35.56 C +ATOM 363 CD2 LEU D 55 -18.880 -2.911 -17.563 1.00 34.06 C +ATOM 364 N GLU D 56 -16.979 1.937 -19.534 1.00 36.94 N +ATOM 365 CA GLU D 56 -15.846 2.816 -19.846 1.00 38.10 C +ATOM 366 C GLU D 56 -15.424 3.675 -18.625 1.00 38.36 C +ATOM 367 O GLU D 56 -14.266 3.677 -18.246 1.00 39.12 O +ATOM 368 CB GLU D 56 -16.148 3.705 -21.069 1.00 38.42 C +ATOM 369 N GLU D 57 -16.365 4.338 -17.985 1.00 38.10 N +ATOM 370 CA GLU D 57 -16.057 5.119 -16.817 1.00 39.65 C +ATOM 371 C GLU D 57 -15.515 4.278 -15.667 1.00 40.20 C +ATOM 372 O GLU D 57 -14.558 4.682 -15.018 1.00 39.56 O +ATOM 373 CB GLU D 57 -17.293 5.875 -16.332 1.00 40.29 C +ATOM 374 CG GLU D 57 -17.709 7.032 -17.202 1.00 41.20 C +ATOM 375 CD GLU D 57 -18.772 7.891 -16.528 1.00 43.31 C +ATOM 376 OE1 GLU D 57 -19.244 7.483 -15.433 1.00 38.66 O +ATOM 377 OE2 GLU D 57 -19.127 8.971 -17.089 1.00 45.55 O +ATOM 378 N ASN D 58 -16.106 3.105 -15.427 1.00 40.38 N +ATOM 379 CA ASN D 58 -15.594 2.208 -14.401 1.00 40.36 C +ATOM 380 C ASN D 58 -14.165 1.823 -14.656 1.00 40.98 C +ATOM 381 O ASN D 58 -13.366 1.659 -13.725 1.00 42.04 O +ATOM 382 CB ASN D 58 -16.459 0.941 -14.261 1.00 39.86 C +ATOM 383 CG ASN D 58 -17.799 1.238 -13.619 1.00 38.01 C +ATOM 384 OD1 ASN D 58 -18.094 2.395 -13.320 1.00 31.30 O +ATOM 385 ND2 ASN D 58 -18.612 0.198 -13.393 1.00 34.60 N +ATOM 386 N GLN D 59 -13.835 1.637 -15.919 1.00 41.44 N +ATOM 387 CA GLN D 59 -12.454 1.300 -16.251 1.00 42.30 C +ATOM 388 C GLN D 59 -11.545 2.517 -15.953 1.00 41.44 C +ATOM 389 O GLN D 59 -10.529 2.378 -15.282 1.00 41.38 O +ATOM 390 CB GLN D 59 -12.349 0.820 -17.710 1.00 42.35 C +ATOM 391 CG GLN D 59 -11.004 0.203 -18.093 1.00 47.51 C +ATOM 392 CD GLN D 59 -10.736 -1.172 -17.446 1.00 51.93 C +ATOM 393 OE1 GLN D 59 -10.337 -1.267 -16.271 1.00 54.35 O +ATOM 394 NE2 GLN D 59 -10.927 -2.235 -18.227 1.00 52.77 N +ATOM 395 N GLU D 60 -11.921 3.704 -16.430 1.00 40.79 N +ATOM 396 CA GLU D 60 -11.053 4.880 -16.250 1.00 41.32 C +ATOM 397 C GLU D 60 -10.834 5.199 -14.746 1.00 40.21 C +ATOM 398 O GLU D 60 -9.744 5.635 -14.357 1.00 40.13 O +ATOM 399 CB GLU D 60 -11.536 6.155 -17.002 1.00 42.05 C +ATOM 400 CG GLU D 60 -12.229 6.018 -18.376 1.00 43.35 C +ATOM 401 CD GLU D 60 -11.329 5.515 -19.512 1.00 50.17 C +ATOM 402 OE1 GLU D 60 -10.153 5.116 -19.255 1.00 49.89 O +ATOM 403 OE2 GLU D 60 -11.820 5.519 -20.685 1.00 51.26 O +ATOM 404 N LEU D 61 -11.860 4.943 -13.938 1.00 38.86 N +ATOM 405 CA LEU D 61 -11.846 5.193 -12.511 1.00 38.60 C +ATOM 406 C LEU D 61 -10.962 4.212 -11.771 1.00 39.32 C +ATOM 407 O LEU D 61 -10.268 4.607 -10.818 1.00 39.86 O +ATOM 408 CB LEU D 61 -13.265 5.190 -11.911 1.00 38.30 C +ATOM 409 CG LEU D 61 -14.174 6.375 -12.212 1.00 37.41 C +ATOM 410 CD1 LEU D 61 -15.612 6.041 -11.870 1.00 40.43 C +ATOM 411 CD2 LEU D 61 -13.731 7.575 -11.376 1.00 38.15 C +ATOM 412 N ARG D 62 -10.973 2.941 -12.197 1.00 38.76 N +ATOM 413 CA ARG D 62 -10.140 1.918 -11.590 1.00 38.37 C +ATOM 414 C ARG D 62 -8.705 2.181 -11.885 1.00 38.41 C +ATOM 415 O ARG D 62 -7.843 1.936 -11.027 1.00 38.29 O +ATOM 416 CB ARG D 62 -10.485 0.458 -12.081 1.00 38.15 C +ATOM 417 CG ARG D 62 -11.691 -0.168 -11.406 1.00 37.16 C +ATOM 418 CD ARG D 62 -11.907 -1.616 -11.862 1.00 39.27 C +ATOM 419 NE ARG D 62 -13.328 -1.874 -11.949 1.00 41.71 N +ATOM 420 CZ ARG D 62 -13.981 -2.041 -13.091 1.00 41.86 C +ATOM 421 NH1 ARG D 62 -13.331 -2.027 -14.260 1.00 43.31 N +ATOM 422 NH2 ARG D 62 -15.276 -2.251 -13.052 1.00 42.57 N +ATOM 423 N ASP D 63 -8.438 2.631 -13.107 1.00 39.80 N +ATOM 424 CA ASP D 63 -7.078 3.046 -13.494 1.00 42.26 C +ATOM 425 C ASP D 63 -6.585 4.295 -12.735 1.00 42.25 C +ATOM 426 O ASP D 63 -5.423 4.401 -12.388 1.00 43.95 O +ATOM 427 CB ASP D 63 -6.999 3.258 -15.006 1.00 43.08 C +ATOM 428 CG ASP D 63 -7.034 1.922 -15.815 1.00 46.80 C +ATOM 429 OD1 ASP D 63 -6.690 0.824 -15.258 1.00 48.46 O +ATOM 430 OD2 ASP D 63 -7.403 1.992 -17.025 1.00 48.31 O +ATOM 431 N ALA D 64 -7.479 5.220 -12.451 1.00 42.49 N +ATOM 432 CA ALA D 64 -7.151 6.390 -11.607 1.00 41.90 C +ATOM 433 C ALA D 64 -6.743 5.889 -10.247 1.00 42.27 C +ATOM 434 O ALA D 64 -5.697 6.277 -9.778 1.00 43.61 O +ATOM 435 CB ALA D 64 -8.331 7.290 -11.473 1.00 40.06 C +ATOM 436 N ILE D 65 -7.558 5.022 -9.622 1.00 42.05 N +ATOM 437 CA ILE D 65 -7.266 4.505 -8.281 1.00 41.46 C +ATOM 438 C ILE D 65 -6.008 3.641 -8.241 1.00 42.25 C +ATOM 439 O ILE D 65 -5.203 3.758 -7.321 1.00 43.45 O +ATOM 440 CB ILE D 65 -8.444 3.713 -7.695 1.00 41.71 C +ATOM 441 CG1 ILE D 65 -9.696 4.612 -7.576 1.00 41.70 C +ATOM 442 CG2 ILE D 65 -8.078 3.170 -6.350 1.00 41.32 C +ATOM 443 CD1 ILE D 65 -10.948 3.924 -7.114 1.00 40.15 C +ATOM 444 N ARG D 66 -5.818 2.803 -9.243 1.00 42.04 N +ATOM 445 CA ARG D 66 -4.624 1.978 -9.322 1.00 43.07 C +ATOM 446 C ARG D 66 -3.374 2.838 -9.284 1.00 42.86 C +ATOM 447 O ARG D 66 -2.535 2.658 -8.395 1.00 43.46 O +ATOM 448 CB ARG D 66 -4.668 1.059 -10.572 1.00 42.69 C +ATOM 449 CG ARG D 66 -3.713 -0.154 -10.509 1.00 44.72 C +ATOM 450 CD ARG D 66 -3.736 -1.064 -11.788 1.00 44.63 C +ATOM 451 NE ARG D 66 -5.066 -1.236 -12.402 1.00 49.74 N +ATOM 452 CZ ARG D 66 -5.797 -2.358 -12.366 1.00 54.01 C +ATOM 453 NH1 ARG D 66 -5.350 -3.453 -11.726 1.00 55.62 N +ATOM 454 NH2 ARG D 66 -6.993 -2.400 -12.975 1.00 54.51 N +ATOM 455 N GLN D 67 -3.275 3.795 -10.211 1.00 42.59 N +ATOM 456 CA GLN D 67 -2.153 4.764 -10.283 1.00 43.16 C +ATOM 457 C GLN D 67 -1.874 5.573 -9.018 1.00 42.06 C +ATOM 458 O GLN D 67 -0.735 5.699 -8.602 1.00 41.88 O +ATOM 459 CB GLN D 67 -2.388 5.777 -11.406 1.00 42.59 C +ATOM 460 CG GLN D 67 -2.365 5.209 -12.791 1.00 44.96 C +ATOM 461 CD GLN D 67 -2.657 6.264 -13.879 1.00 45.75 C +ATOM 462 OE1 GLN D 67 -2.042 7.377 -13.903 1.00 47.55 O +ATOM 463 NE2 GLN D 67 -3.576 5.914 -14.803 1.00 44.78 N +ATOM 464 N SER D 68 -2.904 6.138 -8.411 1.00 41.68 N +ATOM 465 CA SER D 68 -2.666 6.890 -7.206 1.00 42.28 C +ATOM 466 C SER D 68 -2.157 5.956 -6.090 1.00 41.56 C +ATOM 467 O SER D 68 -1.240 6.275 -5.370 1.00 40.18 O +ATOM 468 CB SER D 68 -3.916 7.663 -6.795 1.00 41.68 C +ATOM 469 OG SER D 68 -4.830 6.774 -6.190 1.00 47.30 O +ATOM 470 N ASN D 69 -2.746 4.775 -5.980 1.00 43.90 N +ATOM 471 CA ASN D 69 -2.290 3.737 -5.000 1.00 43.58 C +ATOM 472 C ASN D 69 -0.790 3.521 -5.073 1.00 44.11 C +ATOM 473 O ASN D 69 -0.086 3.650 -4.064 1.00 43.49 O +ATOM 474 CB ASN D 69 -3.078 2.437 -5.201 1.00 44.12 C +ATOM 475 CG ASN D 69 -4.372 2.417 -4.403 1.00 44.35 C +ATOM 476 OD1 ASN D 69 -5.159 1.481 -4.495 1.00 46.47 O +ATOM 477 ND2 ASN D 69 -4.597 3.460 -3.613 1.00 44.38 N +ATOM 478 N GLN D 70 -0.309 3.250 -6.291 1.00 45.43 N +ATOM 479 CA GLN D 70 1.118 3.145 -6.596 1.00 46.57 C +ATOM 480 C GLN D 70 1.939 4.364 -6.111 1.00 47.65 C +ATOM 481 O GLN D 70 2.926 4.203 -5.381 1.00 48.60 O +ATOM 482 CB GLN D 70 1.330 2.898 -8.095 1.00 46.08 C +ATOM 483 CG GLN D 70 2.718 2.405 -8.444 1.00 47.48 C +ATOM 484 CD GLN D 70 3.226 1.308 -7.481 1.00 51.44 C +ATOM 485 OE1 GLN D 70 2.736 0.176 -7.500 1.00 52.76 O +ATOM 486 NE2 GLN D 70 4.240 1.640 -6.660 1.00 51.28 N +ATOM 487 N ILE D 71 1.525 5.576 -6.489 1.00 48.47 N +ATOM 488 CA ILE D 71 2.162 6.804 -5.992 1.00 48.95 C +ATOM 489 C ILE D 71 2.091 6.963 -4.463 1.00 49.39 C +ATOM 490 O ILE D 71 3.084 7.192 -3.818 1.00 48.87 O +ATOM 491 CB ILE D 71 1.594 8.039 -6.713 1.00 49.57 C +ATOM 492 CG1 ILE D 71 2.142 8.089 -8.144 1.00 49.00 C +ATOM 493 CG2 ILE D 71 1.845 9.367 -5.889 1.00 49.30 C +ATOM 494 CD1 ILE D 71 1.268 8.884 -9.078 1.00 51.20 C +ATOM 495 N LEU D 72 0.925 6.805 -3.878 1.00 51.23 N +ATOM 496 CA LEU D 72 0.834 6.724 -2.432 1.00 53.43 C +ATOM 497 C LEU D 72 1.807 5.709 -1.770 1.00 55.15 C +ATOM 498 O LEU D 72 2.466 6.046 -0.768 1.00 57.04 O +ATOM 499 CB LEU D 72 -0.621 6.480 -2.007 1.00 53.31 C +ATOM 500 CG LEU D 72 -1.562 7.680 -2.061 1.00 53.25 C +ATOM 501 CD1 LEU D 72 -2.937 7.280 -1.553 1.00 50.17 C +ATOM 502 CD2 LEU D 72 -1.001 8.861 -1.240 1.00 54.25 C +ATOM 503 N ARG D 73 1.942 4.506 -2.326 1.00 55.46 N +ATOM 504 CA ARG D 73 2.933 3.558 -1.807 1.00 56.85 C +ATOM 505 C ARG D 73 4.350 4.113 -1.804 1.00 56.60 C +ATOM 506 O ARG D 73 5.036 4.044 -0.793 1.00 56.95 O +ATOM 507 CB ARG D 73 2.901 2.183 -2.542 1.00 56.61 C +ATOM 508 CG ARG D 73 1.826 1.256 -2.015 1.00 57.62 C +ATOM 509 CD ARG D 73 1.806 -0.153 -2.685 1.00 57.49 C +ATOM 510 NE ARG D 73 1.395 -0.079 -4.089 1.00 59.13 N +ATOM 511 CZ ARG D 73 0.182 -0.385 -4.563 1.00 58.38 C +ATOM 512 NH1 ARG D 73 -0.783 -0.793 -3.745 1.00 56.06 N +ATOM 513 NH2 ARG D 73 -0.072 -0.266 -5.873 1.00 58.56 N +ATOM 514 N GLU D 74 4.778 4.668 -2.932 1.00 57.02 N +ATOM 515 CA GLU D 74 6.153 5.108 -3.058 1.00 56.86 C +ATOM 516 C GLU D 74 6.400 6.281 -2.151 1.00 56.26 C +ATOM 517 O GLU D 74 7.400 6.316 -1.469 1.00 56.00 O +ATOM 518 CB GLU D 74 6.513 5.382 -4.521 1.00 57.28 C +ATOM 519 CG GLU D 74 6.382 4.100 -5.366 1.00 58.84 C +ATOM 520 CD GLU D 74 7.032 4.200 -6.739 1.00 62.36 C +ATOM 521 OE1 GLU D 74 8.091 3.559 -6.950 1.00 62.63 O +ATOM 522 OE2 GLU D 74 6.483 4.917 -7.610 1.00 62.94 O +ATOM 523 N ARG D 75 5.441 7.194 -2.085 1.00 55.95 N +ATOM 524 CA ARG D 75 5.566 8.407 -1.292 1.00 55.92 C +ATOM 525 C ARG D 75 5.583 8.206 0.218 1.00 55.73 C +ATOM 526 O ARG D 75 6.364 8.850 0.904 1.00 55.34 O +ATOM 527 CB ARG D 75 4.453 9.396 -1.629 1.00 55.89 C +ATOM 528 CG ARG D 75 4.751 10.385 -2.757 1.00 59.22 C +ATOM 529 CD ARG D 75 6.210 10.436 -3.196 1.00 60.72 C +ATOM 530 NE ARG D 75 6.346 9.631 -4.394 1.00 65.44 N +ATOM 531 CZ ARG D 75 7.254 9.812 -5.345 1.00 67.31 C +ATOM 532 NH1 ARG D 75 8.155 10.786 -5.251 1.00 67.80 N +ATOM 533 NH2 ARG D 75 7.249 9.001 -6.401 1.00 68.76 N +ATOM 534 N CYS D 76 4.730 7.326 0.746 1.00 55.92 N +ATOM 535 CA CYS D 76 4.837 6.961 2.178 1.00 56.08 C +ATOM 536 C CYS D 76 6.188 6.334 2.535 1.00 55.13 C +ATOM 537 O CYS D 76 6.794 6.738 3.515 1.00 55.29 O +ATOM 538 CB CYS D 76 3.701 6.082 2.634 1.00 56.35 C +ATOM 539 SG CYS D 76 2.134 6.888 2.421 1.00 60.10 S +ATOM 540 N GLU D 77 6.701 5.400 1.731 1.00 54.45 N +ATOM 541 CA GLU D 77 8.044 4.865 2.017 1.00 53.71 C +ATOM 542 C GLU D 77 9.045 5.995 2.225 1.00 53.32 C +ATOM 543 O GLU D 77 9.867 5.923 3.134 1.00 53.60 O +ATOM 544 CB GLU D 77 8.553 3.905 0.933 1.00 54.15 C +ATOM 545 N GLU D 78 8.965 7.038 1.392 1.00 52.76 N +ATOM 546 CA GLU D 78 9.894 8.168 1.446 1.00 52.04 C +ATOM 547 C GLU D 78 9.743 8.984 2.715 1.00 50.67 C +ATOM 548 O GLU D 78 10.718 9.413 3.299 1.00 51.00 O +ATOM 549 CB GLU D 78 9.660 9.081 0.265 1.00 53.04 C +ATOM 550 CG GLU D 78 10.070 8.492 -1.059 1.00 55.64 C +ATOM 551 CD GLU D 78 9.981 9.507 -2.171 1.00 59.63 C +ATOM 552 OE1 GLU D 78 9.202 9.284 -3.136 1.00 62.03 O +ATOM 553 OE2 GLU D 78 10.693 10.535 -2.067 1.00 62.13 O +ATOM 554 N LEU D 79 8.504 9.190 3.125 1.00 50.01 N +ATOM 555 CA LEU D 79 8.160 9.871 4.378 1.00 48.93 C +ATOM 556 C LEU D 79 8.670 9.203 5.625 1.00 47.67 C +ATOM 557 O LEU D 79 9.129 9.887 6.523 1.00 45.09 O +ATOM 558 CB LEU D 79 6.661 9.993 4.501 1.00 48.92 C +ATOM 559 CG LEU D 79 5.911 11.317 4.363 1.00 50.98 C +ATOM 560 CD1 LEU D 79 6.688 12.443 3.742 1.00 50.25 C +ATOM 561 CD2 LEU D 79 4.585 10.977 3.645 1.00 51.37 C +ATOM 562 N LEU D 80 8.563 7.861 5.680 1.00 47.83 N +ATOM 563 CA LEU D 80 9.030 7.072 6.838 1.00 47.57 C +ATOM 564 C LEU D 80 10.540 7.214 6.977 1.00 48.32 C +ATOM 565 O LEU D 80 11.055 7.374 8.096 1.00 47.40 O +ATOM 566 CB LEU D 80 8.605 5.602 6.734 1.00 47.41 C +ATOM 567 CG LEU D 80 7.077 5.498 6.589 1.00 48.49 C +ATOM 568 CD1 LEU D 80 6.589 4.173 5.949 1.00 51.42 C +ATOM 569 CD2 LEU D 80 6.301 5.925 7.910 1.00 46.80 C +ATOM 570 N HIS D 81 11.232 7.240 5.833 1.00 48.36 N +ATOM 571 CA HIS D 81 12.655 7.476 5.839 1.00 48.69 C +ATOM 572 C HIS D 81 12.963 8.881 6.265 1.00 48.44 C +ATOM 573 O HIS D 81 13.848 9.126 7.102 1.00 49.56 O +ATOM 574 CB HIS D 81 13.226 7.200 4.466 1.00 49.35 C +ATOM 575 CG HIS D 81 13.303 5.749 4.164 1.00 52.15 C +ATOM 576 ND1 HIS D 81 14.334 4.954 4.627 1.00 54.65 N +ATOM 577 CD2 HIS D 81 12.438 4.925 3.530 1.00 53.35 C +ATOM 578 CE1 HIS D 81 14.121 3.707 4.243 1.00 55.61 C +ATOM 579 NE2 HIS D 81 12.982 3.665 3.570 1.00 55.51 N +ATOM 580 N PHE D 82 12.232 9.827 5.707 1.00 47.78 N +ATOM 581 CA PHE D 82 12.382 11.192 6.166 1.00 46.46 C +ATOM 582 C PHE D 82 12.311 11.339 7.697 1.00 45.41 C +ATOM 583 O PHE D 82 13.106 12.051 8.271 1.00 44.79 O +ATOM 584 CB PHE D 82 11.355 12.079 5.544 1.00 46.07 C +ATOM 585 CG PHE D 82 11.638 13.498 5.775 1.00 47.59 C +ATOM 586 CD1 PHE D 82 12.910 14.003 5.501 1.00 46.59 C +ATOM 587 CD2 PHE D 82 10.658 14.347 6.279 1.00 48.93 C +ATOM 588 CE1 PHE D 82 13.192 15.326 5.726 1.00 45.70 C +ATOM 589 CE2 PHE D 82 10.914 15.693 6.468 1.00 44.81 C +ATOM 590 CZ PHE D 82 12.187 16.182 6.199 1.00 46.08 C +ATOM 591 N GLN D 83 11.387 10.624 8.339 1.00 44.42 N +ATOM 592 CA GLN D 83 11.202 10.715 9.801 1.00 43.76 C +ATOM 593 C GLN D 83 12.451 10.374 10.605 1.00 43.37 C +ATOM 594 O GLN D 83 12.707 10.970 11.663 1.00 44.07 O +ATOM 595 CB GLN D 83 10.101 9.794 10.250 1.00 43.56 C +ATOM 596 CG GLN D 83 8.709 10.345 10.159 1.00 42.44 C +ATOM 597 CD GLN D 83 7.706 9.293 10.611 1.00 40.60 C +ATOM 598 OE1 GLN D 83 8.085 8.323 11.256 1.00 37.93 O +ATOM 599 NE2 GLN D 83 6.436 9.476 10.271 1.00 40.01 N +ATOM 600 N ALA D 84 13.227 9.420 10.108 1.00 42.34 N +ATOM 601 CA ALA D 84 14.516 9.090 10.711 1.00 41.55 C +ATOM 602 C ALA D 84 15.536 10.225 10.462 1.00 41.76 C +ATOM 603 O ALA D 84 16.289 10.560 11.369 1.00 41.26 O +ATOM 604 CB ALA D 84 15.025 7.737 10.134 1.00 41.17 C +ATOM 605 N SER D 85 15.584 10.785 9.225 1.00 41.67 N +ATOM 606 CA SER D 85 16.580 11.815 8.877 1.00 42.51 C +ATOM 607 C SER D 85 16.382 13.054 9.766 1.00 41.57 C +ATOM 608 O SER D 85 17.350 13.674 10.163 1.00 40.81 O +ATOM 609 CB SER D 85 16.493 12.296 7.418 1.00 41.84 C +ATOM 610 OG SER D 85 16.028 11.298 6.549 1.00 46.59 O +ATOM 611 N GLN D 86 15.110 13.397 9.974 1.00 40.87 N +ATOM 612 CA GLN D 86 14.641 14.525 10.723 1.00 41.19 C +ATOM 613 C GLN D 86 15.040 14.403 12.177 1.00 42.32 C +ATOM 614 O GLN D 86 15.404 15.405 12.819 1.00 42.87 O +ATOM 615 CB GLN D 86 13.111 14.614 10.596 1.00 40.41 C +ATOM 616 N ARG D 87 15.003 13.184 12.715 1.00 42.37 N +ATOM 617 CA ARG D 87 15.402 12.980 14.128 1.00 42.28 C +ATOM 618 C ARG D 87 16.934 12.916 14.329 1.00 42.50 C +ATOM 619 O ARG D 87 17.432 13.338 15.385 1.00 43.32 O +ATOM 620 CB ARG D 87 14.675 11.786 14.755 1.00 42.29 C +ATOM 621 N GLU D 88 17.686 12.438 13.328 1.00 42.09 N +ATOM 622 CA GLU D 88 19.168 12.491 13.364 1.00 41.21 C +ATOM 623 C GLU D 88 19.715 13.938 13.404 1.00 41.55 C +ATOM 624 O GLU D 88 20.597 14.272 14.217 1.00 39.45 O +ATOM 625 CB GLU D 88 19.797 11.759 12.196 1.00 40.10 C +ATOM 626 N GLU D 89 19.209 14.786 12.512 1.00 41.34 N +ATOM 627 CA GLU D 89 19.613 16.189 12.534 1.00 41.38 C +ATOM 628 C GLU D 89 19.140 16.982 13.785 1.00 38.74 C +ATOM 629 O GLU D 89 19.868 17.803 14.277 1.00 38.51 O +ATOM 630 CB GLU D 89 19.172 16.870 11.256 1.00 43.57 C +ATOM 631 CG GLU D 89 20.258 17.860 10.756 1.00 49.21 C +ATOM 632 CD GLU D 89 19.646 18.931 9.972 1.00 56.54 C +ATOM 633 OE1 GLU D 89 18.399 18.899 9.948 1.00 61.23 O +ATOM 634 OE2 GLU D 89 20.366 19.799 9.387 1.00 61.43 O +ATOM 635 N LYS D 90 17.935 16.710 14.253 1.00 38.44 N +ATOM 636 CA LYS D 90 17.382 17.121 15.567 1.00 39.27 C +ATOM 637 C LYS D 90 18.464 16.956 16.645 1.00 39.27 C +ATOM 638 O LYS D 90 18.926 17.919 17.273 1.00 37.64 O +ATOM 639 CB LYS D 90 16.118 16.928 15.980 0.00 53.77 C +ATOM 640 N GLU D 91 18.920 15.728 16.787 1.00 38.26 N +ATOM 641 CA GLU D 91 19.838 15.396 17.859 1.00 37.87 C +ATOM 642 C GLU D 91 21.253 15.937 17.617 1.00 37.37 C +ATOM 643 O GLU D 91 21.950 16.344 18.548 1.00 35.78 O +ATOM 644 CB GLU D 91 19.805 13.878 18.099 1.00 38.25 C +ATOM 645 N PHE D 92 21.668 15.986 16.352 1.00 36.65 N +ATOM 646 CA PHE D 92 22.921 16.657 16.039 1.00 35.62 C +ATOM 647 C PHE D 92 22.878 18.163 16.367 1.00 34.39 C +ATOM 648 O PHE D 92 23.830 18.714 16.899 1.00 33.65 O +ATOM 649 CB PHE D 92 23.226 16.441 14.567 1.00 36.21 C +ATOM 650 CG PHE D 92 24.395 17.199 14.078 1.00 34.63 C +ATOM 651 CD1 PHE D 92 25.649 16.600 14.033 1.00 34.59 C +ATOM 652 CD2 PHE D 92 24.248 18.504 13.637 1.00 32.64 C +ATOM 653 CE1 PHE D 92 26.767 17.299 13.547 1.00 34.73 C +ATOM 654 CE2 PHE D 92 25.367 19.236 13.132 1.00 34.87 C +ATOM 655 CZ PHE D 92 26.627 18.631 13.102 1.00 35.44 C +ATOM 656 N LEU D 93 21.797 18.863 16.059 1.00 34.46 N +ATOM 657 CA LEU D 93 21.834 20.316 16.320 1.00 34.40 C +ATOM 658 C LEU D 93 21.765 20.616 17.814 1.00 35.35 C +ATOM 659 O LEU D 93 22.407 21.526 18.305 1.00 36.32 O +ATOM 660 CB LEU D 93 20.734 21.014 15.596 1.00 33.48 C +ATOM 661 CG LEU D 93 21.067 20.994 14.085 1.00 34.23 C +ATOM 662 CD1 LEU D 93 19.847 21.304 13.222 1.00 35.68 C +ATOM 663 CD2 LEU D 93 22.194 21.863 13.786 1.00 29.59 C +ATOM 664 N MET D 94 20.976 19.849 18.528 1.00 34.92 N +ATOM 665 CA MET D 94 20.857 19.962 19.967 1.00 37.06 C +ATOM 666 C MET D 94 22.223 19.795 20.618 1.00 37.58 C +ATOM 667 O MET D 94 22.643 20.610 21.442 1.00 37.52 O +ATOM 668 CB MET D 94 19.874 18.912 20.458 1.00 36.90 C +ATOM 669 CG MET D 94 19.095 19.392 21.646 1.00 43.22 C +ATOM 670 SD MET D 94 18.066 20.842 21.295 1.00 44.61 S +ATOM 671 CE MET D 94 16.632 20.024 20.613 1.00 47.80 C +ATOM 672 N CYS D 95 22.952 18.783 20.184 1.00 38.48 N +ATOM 673 CA CYS D 95 24.334 18.628 20.566 1.00 38.85 C +ATOM 674 C CYS D 95 25.199 19.880 20.373 1.00 39.63 C +ATOM 675 O CYS D 95 25.940 20.285 21.304 1.00 39.45 O +ATOM 676 CB CYS D 95 24.916 17.533 19.723 1.00 39.85 C +ATOM 677 SG CYS D 95 26.398 16.890 20.356 1.00 44.18 S +ATOM 678 N LYS D 96 25.133 20.463 19.165 1.00 38.06 N +ATOM 679 CA LYS D 96 25.866 21.649 18.835 1.00 37.90 C +ATOM 680 C LYS D 96 25.396 22.907 19.617 1.00 38.39 C +ATOM 681 O LYS D 96 26.218 23.704 19.953 1.00 37.89 O +ATOM 682 CB LYS D 96 25.838 21.903 17.320 1.00 38.33 C +ATOM 683 CG LYS D 96 26.210 20.689 16.465 1.00 37.02 C +ATOM 684 CD LYS D 96 27.669 20.367 16.497 1.00 37.53 C +ATOM 685 CE LYS D 96 27.820 18.885 16.770 1.00 38.81 C +ATOM 686 NZ LYS D 96 29.237 18.460 17.041 1.00 40.22 N +ATOM 687 N PHE D 97 24.097 23.085 19.870 1.00 38.74 N +ATOM 688 CA PHE D 97 23.584 24.153 20.742 1.00 39.96 C +ATOM 689 C PHE D 97 24.330 24.045 22.101 1.00 40.74 C +ATOM 690 O PHE D 97 24.952 25.016 22.581 1.00 40.70 O +ATOM 691 CB PHE D 97 22.059 24.000 20.944 1.00 39.37 C +ATOM 692 CG PHE D 97 21.456 24.861 22.095 1.00 41.86 C +ATOM 693 CD1 PHE D 97 21.099 26.207 21.885 1.00 38.47 C +ATOM 694 CD2 PHE D 97 21.182 24.294 23.346 1.00 41.10 C +ATOM 695 CE1 PHE D 97 20.554 26.966 22.875 1.00 37.99 C +ATOM 696 CE2 PHE D 97 20.636 25.062 24.375 1.00 41.35 C +ATOM 697 CZ PHE D 97 20.315 26.404 24.137 1.00 41.71 C +ATOM 698 N GLN D 98 24.308 22.839 22.666 1.00 40.67 N +ATOM 699 CA GLN D 98 24.898 22.559 23.963 1.00 39.92 C +ATOM 700 C GLN D 98 26.376 22.890 23.991 1.00 40.12 C +ATOM 701 O GLN D 98 26.784 23.735 24.793 1.00 40.23 O +ATOM 702 CB GLN D 98 24.581 21.132 24.313 1.00 40.53 C +ATOM 703 CG GLN D 98 23.056 21.034 24.469 1.00 44.53 C +ATOM 704 CD GLN D 98 22.555 19.773 25.072 1.00 50.38 C +ATOM 705 OE1 GLN D 98 21.888 19.796 26.114 1.00 52.61 O +ATOM 706 NE2 GLN D 98 22.827 18.646 24.410 1.00 54.50 N +ATOM 707 N GLU D 99 27.158 22.322 23.070 1.00 38.87 N +ATOM 708 CA GLU D 99 28.562 22.577 23.015 1.00 39.13 C +ATOM 709 C GLU D 99 28.795 24.052 22.892 1.00 39.25 C +ATOM 710 O GLU D 99 29.707 24.582 23.544 1.00 40.36 O +ATOM 711 CB GLU D 99 29.229 21.889 21.827 1.00 39.46 C +ATOM 712 CG GLU D 99 29.287 20.386 21.970 1.00 44.80 C +ATOM 713 CD GLU D 99 29.593 19.674 20.654 1.00 52.79 C +ATOM 714 OE1 GLU D 99 30.538 20.115 19.944 1.00 55.27 O +ATOM 715 OE2 GLU D 99 28.883 18.672 20.330 1.00 55.17 O +ATOM 716 N ALA D 100 27.987 24.704 22.052 1.00 37.28 N +ATOM 717 CA ALA D 100 28.143 26.123 21.780 1.00 36.35 C +ATOM 718 C ALA D 100 27.903 26.990 23.020 1.00 34.50 C +ATOM 719 O ALA D 100 28.699 27.862 23.284 1.00 34.52 O +ATOM 720 CB ALA D 100 27.273 26.578 20.557 1.00 35.15 C +ATOM 721 N ARG D 101 26.823 26.725 23.742 1.00 34.01 N +ATOM 722 CA ARG D 101 26.521 27.288 25.062 1.00 36.62 C +ATOM 723 C ARG D 101 27.706 27.091 26.053 1.00 35.69 C +ATOM 724 O ARG D 101 28.165 28.042 26.660 1.00 37.21 O +ATOM 725 CB ARG D 101 25.181 26.668 25.609 1.00 36.44 C +ATOM 726 CG ARG D 101 24.626 27.222 26.916 1.00 37.83 C +ATOM 727 CD ARG D 101 23.253 26.588 27.434 1.00 40.29 C +ATOM 728 NE ARG D 101 22.967 25.119 27.348 1.00 51.81 N +ATOM 729 CZ ARG D 101 23.822 24.063 27.282 1.00 55.34 C +ATOM 730 NH1 ARG D 101 25.165 24.160 27.335 1.00 52.48 N +ATOM 731 NH2 ARG D 101 23.299 22.840 27.175 1.00 56.42 N +ATOM 732 N LYS D 102 28.247 25.890 26.136 1.00 35.82 N +ATOM 733 CA LYS D 102 29.382 25.541 27.044 1.00 35.62 C +ATOM 734 C LYS D 102 30.569 26.433 26.685 1.00 36.07 C +ATOM 735 O LYS D 102 31.001 27.280 27.468 1.00 34.57 O +ATOM 736 CB LYS D 102 29.542 23.976 27.056 0.00 49.97 C +ATOM 737 N LEU D 103 31.071 26.277 25.466 1.00 36.70 N +ATOM 738 CA LEU D 103 32.159 27.122 24.985 1.00 36.87 C +ATOM 739 C LEU D 103 31.955 28.601 25.351 1.00 37.29 C +ATOM 740 O LEU D 103 32.848 29.219 25.932 1.00 37.92 O +ATOM 741 CB LEU D 103 32.332 26.960 23.484 1.00 36.78 C +ATOM 742 CG LEU D 103 33.552 27.630 22.870 1.00 36.35 C +ATOM 743 CD1 LEU D 103 34.852 27.348 23.769 1.00 31.69 C +ATOM 744 CD2 LEU D 103 33.704 27.130 21.420 1.00 34.16 C +ATOM 745 N VAL D 104 30.782 29.157 25.057 1.00 37.39 N +ATOM 746 CA VAL D 104 30.571 30.597 25.272 1.00 37.08 C +ATOM 747 C VAL D 104 30.681 30.983 26.758 1.00 37.56 C +ATOM 748 O VAL D 104 31.335 32.013 27.114 1.00 36.13 O +ATOM 749 CB VAL D 104 29.238 31.096 24.653 1.00 37.45 C +ATOM 750 CG1 VAL D 104 28.727 32.411 25.354 1.00 36.13 C +ATOM 751 CG2 VAL D 104 29.377 31.262 23.128 1.00 33.92 C +ATOM 752 N GLU D 105 30.027 30.151 27.586 1.00 37.41 N +ATOM 753 CA GLU D 105 30.144 30.172 29.047 1.00 38.35 C +ATOM 754 C GLU D 105 31.596 30.158 29.502 1.00 36.95 C +ATOM 755 O GLU D 105 31.987 30.947 30.349 1.00 37.41 O +ATOM 756 CB GLU D 105 29.383 29.002 29.708 1.00 38.13 C +ATOM 757 CG GLU D 105 29.607 28.962 31.230 1.00 40.52 C +ATOM 758 CD GLU D 105 28.928 27.796 31.975 1.00 41.22 C +ATOM 759 OE1 GLU D 105 28.658 26.707 31.402 1.00 43.94 O +ATOM 760 OE2 GLU D 105 28.687 27.984 33.191 1.00 48.28 O +ATOM 761 N ARG D 106 32.402 29.280 28.928 1.00 36.72 N +ATOM 762 CA ARG D 106 33.807 29.250 29.290 1.00 37.20 C +ATOM 763 C ARG D 106 34.683 30.430 28.867 1.00 37.54 C +ATOM 764 O ARG D 106 35.528 30.865 29.649 1.00 37.44 O +ATOM 765 CB ARG D 106 34.436 28.008 28.814 1.00 36.13 C +ATOM 766 CG ARG D 106 33.987 26.859 29.547 1.00 38.45 C +ATOM 767 CD ARG D 106 35.025 25.826 29.433 1.00 40.16 C +ATOM 768 NE ARG D 106 34.686 24.765 28.524 1.00 40.70 N +ATOM 769 CZ ARG D 106 34.049 23.646 28.873 1.00 44.20 C +ATOM 770 NH1 ARG D 106 33.613 23.465 30.122 1.00 41.80 N +ATOM 771 NH2 ARG D 106 33.794 22.720 27.947 1.00 44.51 N +ATOM 772 N LEU D 107 34.532 30.904 27.635 1.00 37.43 N +ATOM 773 CA LEU D 107 35.246 32.087 27.203 1.00 37.25 C +ATOM 774 C LEU D 107 34.858 33.333 28.044 1.00 37.16 C +ATOM 775 O LEU D 107 35.728 34.073 28.486 1.00 36.59 O +ATOM 776 CB LEU D 107 34.988 32.323 25.714 1.00 37.88 C +ATOM 777 CG LEU D 107 35.858 31.850 24.526 1.00 39.60 C +ATOM 778 CD1 LEU D 107 36.977 30.846 24.856 1.00 39.77 C +ATOM 779 CD2 LEU D 107 34.972 31.393 23.348 1.00 36.03 C +ATOM 780 N GLY D 108 33.564 33.563 28.249 1.00 36.98 N +ATOM 781 CA GLY D 108 33.081 34.572 29.197 1.00 38.15 C +ATOM 782 C GLY D 108 33.800 34.554 30.540 1.00 40.00 C +ATOM 783 O GLY D 108 34.178 35.611 31.052 1.00 41.13 O +ATOM 784 N LEU D 109 34.014 33.373 31.132 1.00 40.79 N +ATOM 785 CA LEU D 109 34.865 33.277 32.359 1.00 41.51 C +ATOM 786 C LEU D 109 36.293 33.722 32.075 1.00 42.28 C +ATOM 787 O LEU D 109 36.872 34.514 32.815 1.00 42.69 O +ATOM 788 CB LEU D 109 34.900 31.844 32.871 1.00 40.79 C +ATOM 789 CG LEU D 109 33.752 31.377 33.758 1.00 40.67 C +ATOM 790 CD1 LEU D 109 33.724 29.841 33.809 1.00 35.67 C +ATOM 791 CD2 LEU D 109 33.896 32.015 35.171 1.00 39.45 C +ATOM 792 N GLU D 110 36.839 33.115 31.023 1.00 43.46 N +ATOM 793 CA GLU D 110 38.018 33.500 30.242 1.00 45.49 C +ATOM 794 C GLU D 110 39.092 32.404 30.196 1.00 46.42 C +ATOM 795 O GLU D 110 39.373 31.697 31.164 1.00 48.12 O +ATOM 796 CB GLU D 110 38.516 34.949 30.474 1.00 45.28 C +ATOM 797 CG GLU D 110 37.593 35.998 29.784 1.00 45.53 C +ATOM 798 CD GLU D 110 37.636 37.391 30.417 1.00 47.55 C +ATOM 799 OE1 GLU D 110 36.576 37.899 30.882 1.00 49.95 O +ATOM 800 OE2 GLU D 110 38.741 37.985 30.456 1.00 49.93 O Added: SwiftApps/modFTdock/input/3brt-4.pdb =================================================================== --- SwiftApps/modFTdock/input/3brt-4.pdb (rev 0) +++ SwiftApps/modFTdock/input/3brt-4.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,779 @@ +ATOM 1 N SER A 705 -11.087 -4.860 -7.336 1.00 36.93 N +ATOM 2 CA SER A 705 -11.846 -3.574 -7.352 1.00 37.33 C +ATOM 3 C SER A 705 -13.298 -3.783 -6.932 1.00 37.32 C +ATOM 4 O SER A 705 -14.211 -3.490 -7.723 1.00 37.62 O +ATOM 5 CB SER A 705 -11.807 -2.978 -8.760 1.00 37.28 C +ATOM 6 OG SER A 705 -12.965 -2.193 -9.021 1.00 37.60 O +ATOM 7 N GLU A 706 -13.549 -4.083 -5.656 1.00 37.05 N +ATOM 8 CA GLU A 706 -13.004 -3.287 -4.561 1.00 36.64 C +ATOM 9 C GLU A 706 -11.870 -3.811 -3.676 1.00 36.46 C +ATOM 10 O GLU A 706 -11.799 -3.495 -2.486 1.00 36.03 O +ATOM 11 CB GLU A 706 -14.181 -2.699 -3.731 1.00 36.78 C +ATOM 12 CG GLU A 706 -14.982 -3.759 -2.894 1.00 35.83 C +ATOM 13 CD GLU A 706 -14.619 -3.573 -1.370 1.00 34.91 C +ATOM 14 OE1 GLU A 706 -14.980 -4.510 -0.511 1.00 33.03 O +ATOM 15 OE2 GLU A 706 -13.996 -2.497 -1.017 1.00 31.72 O +ATOM 16 N GLU A 707 -10.959 -4.578 -4.256 1.00 36.60 N +ATOM 17 CA GLU A 707 -9.650 -4.729 -3.640 1.00 36.94 C +ATOM 18 C GLU A 707 -8.986 -3.343 -3.710 1.00 37.41 C +ATOM 19 O GLU A 707 -8.377 -2.890 -2.733 1.00 37.62 O +ATOM 20 CB GLU A 707 -8.810 -5.722 -4.413 1.00 36.79 C +ATOM 21 CG GLU A 707 -9.441 -7.086 -4.549 1.00 38.56 C +ATOM 22 CD GLU A 707 -8.398 -8.174 -4.618 1.00 39.62 C +ATOM 23 OE1 GLU A 707 -8.512 -9.075 -5.494 1.00 41.09 O +ATOM 24 OE2 GLU A 707 -7.458 -8.115 -3.789 1.00 40.67 O +ATOM 25 N LEU A 708 -9.121 -2.709 -4.884 1.00 36.94 N +ATOM 26 CA LEU A 708 -8.653 -1.360 -5.164 1.00 37.53 C +ATOM 27 C LEU A 708 -9.193 -0.357 -4.173 1.00 37.97 C +ATOM 28 O LEU A 708 -8.415 0.371 -3.575 1.00 39.74 O +ATOM 29 CB LEU A 708 -9.033 -0.909 -6.586 1.00 36.53 C +ATOM 30 CG LEU A 708 -8.182 -1.498 -7.707 1.00 35.66 C +ATOM 31 CD1 LEU A 708 -8.632 -1.006 -9.066 1.00 33.92 C +ATOM 32 CD2 LEU A 708 -6.714 -1.185 -7.503 1.00 35.42 C +ATOM 33 N VAL A 709 -10.513 -0.317 -4.011 1.00 37.32 N +ATOM 34 CA VAL A 709 -11.154 0.629 -3.113 1.00 36.45 C +ATOM 35 C VAL A 709 -10.698 0.436 -1.672 1.00 36.63 C +ATOM 36 O VAL A 709 -10.607 1.388 -0.923 1.00 37.77 O +ATOM 37 CB VAL A 709 -12.696 0.543 -3.223 1.00 36.38 C +ATOM 38 CG1 VAL A 709 -13.395 1.270 -2.077 1.00 34.44 C +ATOM 39 CG2 VAL A 709 -13.136 1.112 -4.566 1.00 36.14 C +ATOM 40 N ALA A 710 -10.399 -0.790 -1.279 1.00 35.95 N +ATOM 41 CA ALA A 710 -9.931 -1.042 0.079 1.00 35.27 C +ATOM 42 C ALA A 710 -8.459 -0.688 0.180 1.00 34.67 C +ATOM 43 O ALA A 710 -8.011 -0.195 1.196 1.00 34.47 O +ATOM 44 CB ALA A 710 -10.161 -2.478 0.469 1.00 34.64 C +ATOM 45 N GLU A 711 -7.715 -0.914 -0.898 1.00 34.71 N +ATOM 46 CA GLU A 711 -6.291 -0.610 -0.913 1.00 35.08 C +ATOM 47 C GLU A 711 -6.068 0.896 -0.863 1.00 34.53 C +ATOM 48 O GLU A 711 -5.116 1.333 -0.272 1.00 34.81 O +ATOM 49 CB GLU A 711 -5.595 -1.226 -2.136 1.00 35.65 C +ATOM 50 N ALA A 712 -6.979 1.673 -1.429 1.00 33.62 N +ATOM 51 CA ALA A 712 -6.828 3.104 -1.453 1.00 34.94 C +ATOM 52 C ALA A 712 -7.088 3.710 -0.075 1.00 35.28 C +ATOM 53 O ALA A 712 -6.362 4.642 0.316 1.00 35.89 O +ATOM 54 CB ALA A 712 -7.696 3.773 -2.568 1.00 32.40 C +ATOM 55 N HIS A 713 -8.084 3.195 0.656 1.00 34.99 N +ATOM 56 CA HIS A 713 -8.430 3.741 1.983 1.00 35.79 C +ATOM 57 C HIS A 713 -7.274 3.473 2.926 1.00 35.76 C +ATOM 58 O HIS A 713 -6.949 4.303 3.764 1.00 37.63 O +ATOM 59 CB HIS A 713 -9.782 3.195 2.493 1.00 36.73 C +ATOM 60 CG HIS A 713 -9.955 3.213 3.984 1.00 37.67 C +ATOM 61 ND1 HIS A 713 -10.452 4.304 4.665 1.00 39.27 N +ATOM 62 CD2 HIS A 713 -9.763 2.244 4.917 1.00 38.34 C +ATOM 63 CE1 HIS A 713 -10.529 4.019 5.956 1.00 39.32 C +ATOM 64 NE2 HIS A 713 -10.109 2.778 6.136 1.00 38.10 N +ATOM 65 N ASN A 714 -6.579 2.367 2.709 1.00 35.21 N +ATOM 66 CA ASN A 714 -5.452 1.979 3.550 1.00 34.20 C +ATOM 67 C ASN A 714 -4.202 2.745 3.251 1.00 33.60 C +ATOM 68 O ASN A 714 -3.474 3.134 4.179 1.00 34.81 O +ATOM 69 CB ASN A 714 -5.200 0.452 3.450 1.00 35.44 C +ATOM 70 N LEU A 715 -3.940 2.965 1.955 1.00 32.55 N +ATOM 71 CA LEU A 715 -2.873 3.860 1.482 1.00 29.83 C +ATOM 72 C LEU A 715 -3.068 5.253 2.088 1.00 28.58 C +ATOM 73 O LEU A 715 -2.133 5.862 2.582 1.00 27.18 O +ATOM 74 CB LEU A 715 -2.573 3.724 0.400 0.00 58.34 C +ATOM 75 N CYS A 716 -4.298 5.746 2.047 1.00 28.61 N +ATOM 76 CA CYS A 716 -4.638 7.059 2.598 1.00 29.30 C +ATOM 77 C CYS A 716 -4.429 7.151 4.096 1.00 29.57 C +ATOM 78 O CYS A 716 -3.942 8.167 4.572 1.00 27.91 O +ATOM 79 CB CYS A 716 -6.070 7.408 2.287 1.00 28.71 C +ATOM 80 SG CYS A 716 -6.302 7.969 0.614 1.00 35.93 S +ATOM 81 N THR A 717 -4.787 6.076 4.822 1.00 30.78 N +ATOM 82 CA THR A 717 -4.619 6.036 6.286 1.00 32.48 C +ATOM 83 C THR A 717 -3.156 6.115 6.728 1.00 33.15 C +ATOM 84 O THR A 717 -2.807 6.836 7.645 1.00 32.30 O +ATOM 85 CB THR A 717 -5.284 4.779 6.885 1.00 32.57 C +ATOM 86 OG1 THR A 717 -6.670 4.777 6.528 1.00 33.96 O +ATOM 87 CG2 THR A 717 -5.150 4.759 8.437 1.00 33.38 C +ATOM 88 N LEU A 718 -2.329 5.340 6.050 1.00 35.68 N +ATOM 89 CA LEU A 718 -0.873 5.340 6.143 1.00 38.35 C +ATOM 90 C LEU A 718 -0.316 6.693 5.847 1.00 39.65 C +ATOM 91 O LEU A 718 0.610 7.170 6.530 1.00 41.30 O +ATOM 92 CB LEU A 718 -0.349 4.396 5.045 1.00 38.83 C +ATOM 93 CG LEU A 718 1.026 3.716 5.059 1.00 44.29 C +ATOM 94 CD1 LEU A 718 1.387 3.111 3.681 1.00 45.43 C +ATOM 95 CD2 LEU A 718 2.058 4.754 5.436 1.00 49.22 C +ATOM 96 N LEU A 719 -0.818 7.312 4.777 1.00 39.93 N +ATOM 97 CA LEU A 719 -0.354 8.668 4.398 1.00 39.04 C +ATOM 98 C LEU A 719 -0.658 9.624 5.535 1.00 39.84 C +ATOM 99 O LEU A 719 0.228 10.415 5.897 1.00 41.39 O +ATOM 100 CB LEU A 719 -1.042 9.170 3.104 1.00 38.89 C +ATOM 101 CG LEU A 719 -0.737 10.625 2.656 1.00 38.05 C +ATOM 102 CD1 LEU A 719 0.719 10.793 2.418 1.00 33.70 C +ATOM 103 CD2 LEU A 719 -1.579 11.076 1.440 1.00 37.04 C +ATOM 104 N GLU A 720 -1.883 9.582 6.077 1.00 39.88 N +ATOM 105 CA GLU A 720 -2.297 10.590 7.098 1.00 42.16 C +ATOM 106 C GLU A 720 -1.477 10.436 8.392 1.00 42.90 C +ATOM 107 O GLU A 720 -1.079 11.421 9.007 1.00 42.27 O +ATOM 108 CB GLU A 720 -3.762 10.460 7.460 1.00 41.33 C +ATOM 109 CG GLU A 720 -4.700 10.323 6.291 1.00 44.33 C +ATOM 110 CD GLU A 720 -6.150 10.279 6.743 1.00 50.66 C +ATOM 111 OE1 GLU A 720 -6.570 11.245 7.428 1.00 55.30 O +ATOM 112 OE2 GLU A 720 -6.881 9.292 6.445 1.00 53.05 O +ATOM 113 N ASN A 721 -1.274 9.178 8.789 1.00 44.05 N +ATOM 114 CA ASN A 721 -0.403 8.802 9.905 1.00 45.67 C +ATOM 115 C ASN A 721 1.041 9.317 9.661 1.00 46.41 C +ATOM 116 O ASN A 721 1.526 10.150 10.444 1.00 47.09 O +ATOM 117 CB ASN A 721 -0.452 7.286 10.163 1.00 44.68 C +ATOM 118 CG ASN A 721 -1.806 6.817 10.706 1.00 44.78 C +ATOM 119 OD1 ASN A 721 -2.459 5.974 10.093 1.00 45.81 O +ATOM 120 ND2 ASN A 721 -2.229 7.355 11.849 1.00 41.07 N +ATOM 121 N ALA A 722 1.687 8.867 8.572 1.00 47.14 N +ATOM 122 CA ALA A 722 3.044 9.349 8.194 1.00 48.36 C +ATOM 123 C ALA A 722 3.173 10.852 8.281 1.00 48.95 C +ATOM 124 O ALA A 722 4.075 11.333 8.912 1.00 50.31 O +ATOM 125 CB ALA A 722 3.479 8.863 6.792 1.00 48.24 C +ATOM 126 N ILE A 723 2.287 11.611 7.655 1.00 50.68 N +ATOM 127 CA ILE A 723 2.394 13.082 7.746 1.00 51.32 C +ATOM 128 C ILE A 723 2.144 13.583 9.144 1.00 52.16 C +ATOM 129 O ILE A 723 2.686 14.616 9.544 1.00 52.23 O +ATOM 130 CB ILE A 723 1.443 13.791 6.785 1.00 51.99 C +ATOM 131 CG1 ILE A 723 1.868 13.454 5.352 1.00 54.01 C +ATOM 132 CG2 ILE A 723 1.426 15.328 7.021 1.00 48.24 C +ATOM 133 CD1 ILE A 723 1.106 14.228 4.283 1.00 58.71 C +ATOM 134 N GLN A 724 1.327 12.856 9.908 1.00 53.47 N +ATOM 135 CA GLN A 724 1.000 13.332 11.254 1.00 54.05 C +ATOM 136 C GLN A 724 2.218 13.279 12.182 1.00 53.10 C +ATOM 137 O GLN A 724 2.475 14.221 12.930 1.00 52.85 O +ATOM 138 CB GLN A 724 -0.242 12.650 11.822 1.00 54.81 C +ATOM 139 CG GLN A 724 -1.425 13.663 12.097 1.00 59.14 C +ATOM 140 CD GLN A 724 -1.509 14.852 11.085 1.00 62.99 C +ATOM 141 OE1 GLN A 724 -1.919 14.673 9.924 1.00 64.31 O +ATOM 142 NE2 GLN A 724 -1.137 16.066 11.542 1.00 61.40 N +ATOM 143 N ASP A 725 2.986 12.206 12.058 1.00 51.79 N +ATOM 144 CA ASP A 725 4.230 12.055 12.786 1.00 51.41 C +ATOM 145 C ASP A 725 5.450 12.828 12.185 1.00 52.10 C +ATOM 146 O ASP A 725 6.396 13.132 12.912 1.00 52.25 O +ATOM 147 CB ASP A 725 4.543 10.566 12.938 1.00 50.98 C +ATOM 148 CG ASP A 725 3.336 9.742 13.498 1.00 49.51 C +ATOM 149 OD1 ASP A 725 2.547 10.256 14.322 1.00 48.21 O +ATOM 150 OD2 ASP A 725 3.176 8.570 13.101 1.00 43.84 O +ATOM 151 N THR A 726 5.453 13.106 10.874 1.00 52.22 N +ATOM 152 CA THR A 726 6.405 14.060 10.278 1.00 53.02 C +ATOM 153 C THR A 726 6.133 15.484 10.807 1.00 53.12 C +ATOM 154 O THR A 726 7.021 16.147 11.358 1.00 53.78 O +ATOM 155 CB THR A 726 6.328 14.038 8.737 1.00 53.32 C +ATOM 156 OG1 THR A 726 6.544 12.698 8.258 1.00 53.03 O +ATOM 157 CG2 THR A 726 7.350 14.965 8.130 1.00 54.06 C +ATOM 158 N VAL A 727 4.886 15.928 10.676 1.00 53.67 N +ATOM 159 CA VAL A 727 4.433 17.232 11.179 1.00 53.71 C +ATOM 160 C VAL A 727 4.342 17.323 12.706 1.00 53.90 C +ATOM 161 O VAL A 727 4.026 18.399 13.228 1.00 54.62 O +ATOM 162 CB VAL A 727 3.043 17.618 10.560 1.00 53.90 C +ATOM 163 CG1 VAL A 727 2.473 18.922 11.177 1.00 54.44 C +ATOM 164 CG2 VAL A 727 3.153 17.759 9.053 1.00 54.28 C +ATOM 165 N ARG A 728 4.591 16.224 13.431 1.00 53.45 N +ATOM 166 CA ARG A 728 4.563 16.274 14.908 1.00 52.59 C +ATOM 167 C ARG A 728 5.869 16.744 15.537 1.00 51.89 C +ATOM 168 O ARG A 728 5.872 17.776 16.194 1.00 51.74 O +ATOM 169 CB ARG A 728 4.132 14.940 15.526 1.00 53.42 C +ATOM 170 N GLU A 729 6.958 15.987 15.329 1.00 51.17 N +ATOM 171 CA GLU A 729 8.310 16.282 15.874 1.00 50.07 C +ATOM 172 C GLU A 729 8.769 17.737 15.678 1.00 49.50 C +ATOM 173 O GLU A 729 9.516 18.272 16.500 1.00 48.71 O +ATOM 174 CB GLU A 729 9.957 16.049 16.530 0.00 65.19 C +ATOM 175 N GLN A 730 8.314 18.345 14.575 1.00 48.86 N +ATOM 176 CA GLN A 730 8.367 19.791 14.317 1.00 48.39 C +ATOM 177 C GLN A 730 7.861 20.651 15.493 1.00 47.97 C +ATOM 178 O GLN A 730 8.459 21.668 15.814 1.00 48.08 O +ATOM 179 CB GLN A 730 7.565 20.092 13.046 1.00 48.54 C +ATOM 180 CG GLN A 730 6.984 21.510 12.885 1.00 49.32 C +ATOM 181 CD GLN A 730 5.493 21.511 12.475 1.00 50.07 C +ATOM 182 OE1 GLN A 730 5.141 21.808 11.331 1.00 49.31 O +ATOM 183 NE2 GLN A 730 4.622 21.165 13.418 1.00 49.96 N +ATOM 184 N GLY A 731 6.762 20.233 16.120 1.00 47.66 N +ATOM 185 CA GLY A 731 6.213 20.860 17.341 1.00 46.44 C +ATOM 186 C GLY A 731 7.198 21.191 18.466 1.00 45.68 C +ATOM 187 O GLY A 731 6.996 22.166 19.212 1.00 45.53 O +ATOM 188 N ASN A 732 8.260 20.394 18.604 1.00 44.30 N +ATOM 189 CA ASN A 732 9.324 20.739 19.555 1.00 43.12 C +ATOM 190 C ASN A 732 10.521 21.442 18.852 1.00 41.70 C +ATOM 191 O ASN A 732 11.520 20.846 18.435 1.00 41.33 O +ATOM 192 CB ASN A 732 9.667 19.566 20.517 1.00 43.30 C +ATOM 193 CG ASN A 732 8.876 18.274 20.196 1.00 42.95 C +ATOM 194 OD1 ASN A 732 7.655 18.198 20.390 1.00 39.23 O +ATOM 195 ND2 ASN A 732 9.585 17.265 19.691 1.00 42.75 N +ATOM 196 N SER A 733 10.353 22.747 18.717 1.00 40.48 N +ATOM 197 CA SER A 733 11.194 23.568 17.875 1.00 39.81 C +ATOM 198 C SER A 733 12.282 24.175 18.734 1.00 39.04 C +ATOM 199 O SER A 733 12.034 24.572 19.853 1.00 38.84 O +ATOM 200 CB SER A 733 10.328 24.643 17.184 1.00 40.28 C +ATOM 201 OG SER A 733 10.982 25.909 17.116 1.00 40.31 O +ATOM 202 N MET A 734 13.494 24.225 18.208 1.00 37.96 N +ATOM 203 CA MET A 734 14.612 24.787 18.915 1.00 37.49 C +ATOM 204 C MET A 734 14.493 26.302 19.004 1.00 37.26 C +ATOM 205 O MET A 734 15.295 26.962 19.636 1.00 37.34 O +ATOM 206 CB MET A 734 15.912 24.371 18.254 1.00 37.39 C +ATOM 207 CG MET A 734 16.257 22.896 18.424 1.00 36.10 C +ATOM 208 SD MET A 734 17.776 22.431 17.521 1.00 38.49 S +ATOM 209 CE MET A 734 19.091 23.219 18.491 1.00 34.05 C +ATOM 210 N MET A 735 13.468 26.865 18.389 1.00 37.27 N +ATOM 211 CA MET A 735 13.172 28.257 18.628 1.00 37.75 C +ATOM 212 C MET A 735 12.745 28.510 20.091 1.00 37.38 C +ATOM 213 O MET A 735 12.836 29.645 20.604 1.00 37.21 O +ATOM 214 CB MET A 735 12.135 28.745 17.594 1.00 38.10 C +ATOM 215 CG MET A 735 12.616 28.567 16.110 1.00 37.27 C +ATOM 216 SD MET A 735 11.451 29.117 14.824 1.00 40.26 S +ATOM 217 CE MET A 735 10.870 30.609 15.659 1.00 38.90 C +ATOM 218 N ASN A 736 12.305 27.452 20.781 1.00 37.20 N +ATOM 219 CA ASN A 736 11.817 27.604 22.164 1.00 37.05 C +ATOM 220 C ASN A 736 12.910 27.468 23.186 1.00 36.95 C +ATOM 221 O ASN A 736 12.589 27.465 24.393 1.00 37.96 O +ATOM 222 CB ASN A 736 10.749 26.570 22.526 1.00 36.81 C +ATOM 223 CG ASN A 736 9.526 26.695 21.693 1.00 38.46 C +ATOM 224 OD1 ASN A 736 8.967 27.787 21.533 1.00 41.95 O +ATOM 225 ND2 ASN A 736 9.077 25.577 21.155 1.00 40.96 N +ATOM 226 N LEU A 737 14.156 27.254 22.750 1.00 35.39 N +ATOM 227 CA LEU A 737 15.245 27.093 23.712 1.00 35.46 C +ATOM 228 C LEU A 737 15.705 28.445 24.178 1.00 37.18 C +ATOM 229 O LEU A 737 15.348 29.480 23.573 1.00 36.85 O +ATOM 230 CB LEU A 737 16.416 26.346 23.118 1.00 35.01 C +ATOM 231 CG LEU A 737 16.216 24.913 22.621 1.00 34.37 C +ATOM 232 CD1 LEU A 737 17.365 24.578 21.678 1.00 27.40 C +ATOM 233 CD2 LEU A 737 16.181 23.991 23.854 1.00 31.81 C +ATOM 234 N ASP A 738 16.480 28.452 25.265 1.00 37.90 N +ATOM 235 CA ASP A 738 17.114 29.672 25.713 1.00 38.68 C +ATOM 236 C ASP A 738 18.353 30.010 24.896 1.00 37.71 C +ATOM 237 O ASP A 738 19.417 29.422 25.107 1.00 37.52 O +ATOM 238 CB ASP A 738 17.491 29.611 27.195 1.00 40.11 C +ATOM 239 CG ASP A 738 18.061 30.945 27.706 1.00 44.01 C +ATOM 240 OD1 ASP A 738 17.472 32.017 27.396 1.00 44.57 O +ATOM 241 OD2 ASP A 738 19.114 30.918 28.404 1.00 49.55 O +ATOM 242 N TRP A 739 18.217 31.006 24.015 1.00 36.08 N +ATOM 243 CA TRP A 739 19.334 31.546 23.260 1.00 34.28 C +ATOM 244 C TRP A 739 19.984 32.804 23.857 1.00 34.72 C +ATOM 245 O TRP A 739 20.946 33.336 23.269 1.00 33.89 O +ATOM 246 CB TRP A 739 18.839 31.836 21.853 1.00 35.06 C +ATOM 247 CG TRP A 739 18.440 30.600 21.157 1.00 34.58 C +ATOM 248 CD1 TRP A 739 17.195 30.054 21.093 1.00 34.35 C +ATOM 249 CD2 TRP A 739 19.308 29.717 20.488 1.00 32.68 C +ATOM 250 NE1 TRP A 739 17.231 28.873 20.397 1.00 35.11 N +ATOM 251 CE2 TRP A 739 18.525 28.656 19.998 1.00 36.15 C +ATOM 252 CE3 TRP A 739 20.667 29.756 20.187 1.00 33.00 C +ATOM 253 CZ2 TRP A 739 19.063 27.632 19.225 1.00 35.51 C +ATOM 254 CZ3 TRP A 739 21.217 28.724 19.469 1.00 35.63 C +ATOM 255 CH2 TRP A 739 20.411 27.690 18.955 1.00 35.82 C +ATOM 256 N SER A 740 19.498 33.257 25.032 1.00 33.85 N +ATOM 257 CA SER A 740 19.946 34.503 25.666 1.00 32.82 C +ATOM 258 C SER A 740 21.399 34.614 26.008 1.00 33.00 C +ATOM 259 O SER A 740 21.877 35.719 26.154 1.00 33.67 O +ATOM 260 CB SER A 740 19.109 34.853 26.908 1.00 34.03 C +ATOM 261 OG SER A 740 19.299 33.903 27.959 1.00 33.65 O +ATOM 262 N TRP A 741 22.117 33.502 26.117 1.00 34.05 N +ATOM 263 CA TRP A 741 23.585 33.493 26.322 1.00 34.72 C +ATOM 264 C TRP A 741 24.338 34.049 25.122 1.00 36.89 C +ATOM 265 O TRP A 741 25.569 34.275 25.183 1.00 36.82 O +ATOM 266 CB TRP A 741 24.089 32.075 26.574 1.00 34.45 C +ATOM 267 CG TRP A 741 23.562 31.059 25.601 1.00 35.02 C +ATOM 268 CD1 TRP A 741 22.367 30.377 25.691 1.00 35.56 C +ATOM 269 CD2 TRP A 741 24.156 30.655 24.359 1.00 32.16 C +ATOM 270 NE1 TRP A 741 22.204 29.566 24.593 1.00 34.65 N +ATOM 271 CE2 TRP A 741 23.294 29.691 23.778 1.00 32.42 C +ATOM 272 CE3 TRP A 741 25.366 30.948 23.722 1.00 32.16 C +ATOM 273 CZ2 TRP A 741 23.589 29.046 22.568 1.00 34.61 C +ATOM 274 CZ3 TRP A 741 25.668 30.299 22.509 1.00 32.73 C +ATOM 275 CH2 TRP A 741 24.763 29.376 21.939 1.00 33.77 C +ATOM 276 N LEU A 742 23.613 34.249 24.018 1.00 38.34 N +ATOM 277 CA LEU A 742 24.160 34.945 22.855 1.00 40.13 C +ATOM 278 C LEU A 742 24.254 36.417 23.151 1.00 41.89 C +ATOM 279 O LEU A 742 25.150 37.087 22.682 1.00 42.64 O +ATOM 280 CB LEU A 742 23.332 34.661 21.562 1.00 40.02 C +ATOM 281 CG LEU A 742 23.722 33.310 20.881 1.00 38.72 C +ATOM 282 CD1 LEU A 742 22.863 32.827 19.679 1.00 40.20 C +ATOM 283 CD2 LEU A 742 25.114 33.400 20.432 1.00 35.68 C +ATOM 284 N THR A 743 23.347 36.919 23.973 1.00 44.20 N +ATOM 285 CA THR A 743 23.228 38.336 24.182 1.00 46.56 C +ATOM 286 C THR A 743 23.617 38.731 25.606 1.00 47.43 C +ATOM 287 O THR A 743 24.774 39.136 25.813 1.00 48.25 O +ATOM 288 CB THR A 743 21.802 38.818 23.862 1.00 47.18 C +ATOM 289 OG1 THR A 743 20.848 37.862 24.358 1.00 49.50 O +ATOM 290 CG2 THR A 743 21.625 38.981 22.339 1.00 48.89 C +ATOM 292 N GLU D 49 -29.020 4.227 -24.639 1.00 57.62 N +ATOM 293 CA GLU D 49 -28.310 3.151 -23.874 1.00 57.70 C +ATOM 294 C GLU D 49 -26.969 3.590 -23.235 1.00 57.04 C +ATOM 295 O GLU D 49 -26.070 4.113 -23.925 1.00 57.38 O +ATOM 296 CB GLU D 49 -28.105 1.931 -24.772 1.00 58.44 C +ATOM 297 CG GLU D 49 -28.145 0.600 -24.024 1.00 59.86 C +ATOM 298 CD GLU D 49 -26.950 -0.272 -24.353 1.00 60.89 C +ATOM 299 OE1 GLU D 49 -27.175 -1.383 -24.901 1.00 59.65 O +ATOM 300 OE2 GLU D 49 -25.799 0.180 -24.075 1.00 60.26 O +ATOM 301 N THR D 50 -26.835 3.332 -21.926 1.00 55.42 N +ATOM 302 CA THR D 50 -25.773 3.901 -21.097 1.00 53.48 C +ATOM 303 C THR D 50 -24.844 2.891 -20.399 1.00 52.07 C +ATOM 304 O THR D 50 -23.960 3.268 -19.647 1.00 51.74 O +ATOM 305 CB THR D 50 -26.380 4.845 -20.047 1.00 53.88 C +ATOM 306 OG1 THR D 50 -27.305 4.114 -19.227 1.00 53.93 O +ATOM 307 CG2 THR D 50 -27.120 6.034 -20.728 1.00 54.53 C +ATOM 308 N LEU D 51 -25.025 1.605 -20.650 1.00 50.81 N +ATOM 309 CA LEU D 51 -24.110 0.590 -20.087 1.00 49.17 C +ATOM 310 C LEU D 51 -22.646 0.727 -20.555 1.00 48.37 C +ATOM 311 O LEU D 51 -21.730 0.773 -19.712 1.00 47.44 O +ATOM 312 CB LEU D 51 -24.637 -0.826 -20.326 1.00 48.60 C +ATOM 313 CG LEU D 51 -23.932 -1.941 -19.564 1.00 49.08 C +ATOM 314 CD1 LEU D 51 -23.667 -1.597 -18.088 1.00 48.49 C +ATOM 315 CD2 LEU D 51 -24.729 -3.247 -19.705 1.00 48.83 C +ATOM 316 N GLN D 52 -22.438 0.798 -21.878 1.00 47.03 N +ATOM 317 CA GLN D 52 -21.134 1.131 -22.451 1.00 46.72 C +ATOM 318 C GLN D 52 -20.420 2.351 -21.768 1.00 45.66 C +ATOM 319 O GLN D 52 -19.230 2.258 -21.456 1.00 44.95 O +ATOM 320 CB GLN D 52 -21.213 1.285 -23.981 1.00 46.57 C +ATOM 321 CG GLN D 52 -21.540 2.701 -24.492 1.00 48.35 C +ATOM 322 CD GLN D 52 -21.838 2.784 -26.006 1.00 49.25 C +ATOM 323 OE1 GLN D 52 -22.463 3.756 -26.476 1.00 50.95 O +ATOM 324 NE2 GLN D 52 -21.394 1.768 -26.772 1.00 51.50 N +ATOM 325 N ARG D 53 -21.139 3.454 -21.539 1.00 44.65 N +ATOM 326 CA ARG D 53 -20.556 4.650 -20.901 1.00 44.73 C +ATOM 327 C ARG D 53 -20.155 4.350 -19.457 1.00 43.89 C +ATOM 328 O ARG D 53 -19.110 4.774 -19.012 1.00 44.22 O +ATOM 329 CB ARG D 53 -21.506 5.860 -20.939 1.00 44.66 C +ATOM 330 N CYS D 54 -20.993 3.580 -18.774 1.00 42.76 N +ATOM 331 CA CYS D 54 -20.764 3.106 -17.446 1.00 41.00 C +ATOM 332 C CYS D 54 -19.566 2.194 -17.304 1.00 40.29 C +ATOM 333 O CYS D 54 -18.805 2.324 -16.345 1.00 40.95 O +ATOM 334 CB CYS D 54 -21.997 2.403 -16.954 1.00 41.51 C +ATOM 335 SG CYS D 54 -21.840 2.001 -15.262 1.00 45.42 S +ATOM 336 N LEU D 55 -19.359 1.293 -18.264 1.00 39.01 N +ATOM 337 CA LEU D 55 -18.253 0.346 -18.215 1.00 37.47 C +ATOM 338 C LEU D 55 -16.933 1.035 -18.560 1.00 36.98 C +ATOM 339 O LEU D 55 -15.896 0.753 -17.941 1.00 36.15 O +ATOM 340 CB LEU D 55 -18.527 -0.874 -19.142 1.00 37.55 C +ATOM 341 CG LEU D 55 -19.514 -1.951 -18.621 1.00 36.83 C +ATOM 342 CD1 LEU D 55 -20.120 -2.758 -19.741 1.00 35.56 C +ATOM 343 CD2 LEU D 55 -18.880 -2.911 -17.563 1.00 34.06 C +ATOM 344 N GLU D 56 -16.979 1.937 -19.534 1.00 36.94 N +ATOM 345 CA GLU D 56 -15.846 2.816 -19.846 1.00 38.10 C +ATOM 346 C GLU D 56 -15.424 3.675 -18.625 1.00 38.36 C +ATOM 347 O GLU D 56 -14.266 3.677 -18.246 1.00 39.12 O +ATOM 348 CB GLU D 56 -16.148 3.705 -21.069 1.00 38.42 C +ATOM 349 N GLU D 57 -16.365 4.338 -17.985 1.00 38.10 N +ATOM 350 CA GLU D 57 -16.057 5.119 -16.817 1.00 39.65 C +ATOM 351 C GLU D 57 -15.515 4.278 -15.667 1.00 40.20 C +ATOM 352 O GLU D 57 -14.558 4.682 -15.018 1.00 39.56 O +ATOM 353 CB GLU D 57 -17.293 5.875 -16.332 1.00 40.29 C +ATOM 354 CG GLU D 57 -17.709 7.032 -17.202 1.00 41.20 C +ATOM 355 CD GLU D 57 -18.772 7.891 -16.528 1.00 43.31 C +ATOM 356 OE1 GLU D 57 -19.244 7.483 -15.433 1.00 38.66 O +ATOM 357 OE2 GLU D 57 -19.127 8.971 -17.089 1.00 45.55 O +ATOM 358 N ASN D 58 -16.106 3.105 -15.427 1.00 40.38 N +ATOM 359 CA ASN D 58 -15.594 2.208 -14.401 1.00 40.36 C +ATOM 360 C ASN D 58 -14.165 1.823 -14.656 1.00 40.98 C +ATOM 361 O ASN D 58 -13.366 1.659 -13.725 1.00 42.04 O +ATOM 362 CB ASN D 58 -16.459 0.941 -14.261 1.00 39.86 C +ATOM 363 CG ASN D 58 -17.799 1.238 -13.619 1.00 38.01 C +ATOM 364 OD1 ASN D 58 -18.094 2.395 -13.320 1.00 31.30 O +ATOM 365 ND2 ASN D 58 -18.612 0.198 -13.393 1.00 34.60 N +ATOM 366 N GLN D 59 -13.835 1.637 -15.919 1.00 41.44 N +ATOM 367 CA GLN D 59 -12.454 1.300 -16.251 1.00 42.30 C +ATOM 368 C GLN D 59 -11.545 2.517 -15.953 1.00 41.44 C +ATOM 369 O GLN D 59 -10.529 2.378 -15.282 1.00 41.38 O +ATOM 370 CB GLN D 59 -12.349 0.820 -17.710 1.00 42.35 C +ATOM 371 CG GLN D 59 -11.004 0.203 -18.093 1.00 47.51 C +ATOM 372 CD GLN D 59 -10.736 -1.172 -17.446 1.00 51.93 C +ATOM 373 OE1 GLN D 59 -10.337 -1.267 -16.271 1.00 54.35 O +ATOM 374 NE2 GLN D 59 -10.927 -2.235 -18.227 1.00 52.77 N +ATOM 375 N GLU D 60 -11.921 3.704 -16.430 1.00 40.79 N +ATOM 376 CA GLU D 60 -11.053 4.880 -16.250 1.00 41.32 C +ATOM 377 C GLU D 60 -10.834 5.199 -14.746 1.00 40.21 C +ATOM 378 O GLU D 60 -9.744 5.635 -14.357 1.00 40.13 O +ATOM 379 CB GLU D 60 -11.536 6.155 -17.002 1.00 42.05 C +ATOM 380 CG GLU D 60 -12.229 6.018 -18.376 1.00 43.35 C +ATOM 381 CD GLU D 60 -11.329 5.515 -19.512 1.00 50.17 C +ATOM 382 OE1 GLU D 60 -10.153 5.116 -19.255 1.00 49.89 O +ATOM 383 OE2 GLU D 60 -11.820 5.519 -20.685 1.00 51.26 O +ATOM 384 N LEU D 61 -11.860 4.943 -13.938 1.00 38.86 N +ATOM 385 CA LEU D 61 -11.846 5.193 -12.511 1.00 38.60 C +ATOM 386 C LEU D 61 -10.962 4.212 -11.771 1.00 39.32 C +ATOM 387 O LEU D 61 -10.268 4.607 -10.818 1.00 39.86 O +ATOM 388 CB LEU D 61 -13.265 5.190 -11.911 1.00 38.30 C +ATOM 389 CG LEU D 61 -14.174 6.375 -12.212 1.00 37.41 C +ATOM 390 CD1 LEU D 61 -15.612 6.041 -11.870 1.00 40.43 C +ATOM 391 CD2 LEU D 61 -13.731 7.575 -11.376 1.00 38.15 C +ATOM 392 N ARG D 62 -10.973 2.941 -12.197 1.00 38.76 N +ATOM 393 CA ARG D 62 -10.140 1.918 -11.590 1.00 38.37 C +ATOM 394 C ARG D 62 -8.705 2.181 -11.885 1.00 38.41 C +ATOM 395 O ARG D 62 -7.843 1.936 -11.027 1.00 38.29 O +ATOM 396 CB ARG D 62 -10.485 0.458 -12.081 1.00 38.15 C +ATOM 397 CG ARG D 62 -11.691 -0.168 -11.406 1.00 37.16 C +ATOM 398 CD ARG D 62 -11.907 -1.616 -11.862 1.00 39.27 C +ATOM 399 NE ARG D 62 -13.328 -1.874 -11.949 1.00 41.71 N +ATOM 400 CZ ARG D 62 -13.981 -2.041 -13.091 1.00 41.86 C +ATOM 401 NH1 ARG D 62 -13.331 -2.027 -14.260 1.00 43.31 N +ATOM 402 NH2 ARG D 62 -15.276 -2.251 -13.052 1.00 42.57 N +ATOM 403 N ASP D 63 -8.438 2.631 -13.107 1.00 39.80 N +ATOM 404 CA ASP D 63 -7.078 3.046 -13.494 1.00 42.26 C +ATOM 405 C ASP D 63 -6.585 4.295 -12.735 1.00 42.25 C +ATOM 406 O ASP D 63 -5.423 4.401 -12.388 1.00 43.95 O +ATOM 407 CB ASP D 63 -6.999 3.258 -15.006 1.00 43.08 C +ATOM 408 CG ASP D 63 -7.034 1.922 -15.815 1.00 46.80 C +ATOM 409 OD1 ASP D 63 -6.690 0.824 -15.258 1.00 48.46 O +ATOM 410 OD2 ASP D 63 -7.403 1.992 -17.025 1.00 48.31 O +ATOM 411 N ALA D 64 -7.479 5.220 -12.451 1.00 42.49 N +ATOM 412 CA ALA D 64 -7.151 6.390 -11.607 1.00 41.90 C +ATOM 413 C ALA D 64 -6.743 5.889 -10.247 1.00 42.27 C +ATOM 414 O ALA D 64 -5.697 6.277 -9.778 1.00 43.61 O +ATOM 415 CB ALA D 64 -8.331 7.290 -11.473 1.00 40.06 C +ATOM 416 N ILE D 65 -7.558 5.022 -9.622 1.00 42.05 N +ATOM 417 CA ILE D 65 -7.266 4.505 -8.281 1.00 41.46 C +ATOM 418 C ILE D 65 -6.008 3.641 -8.241 1.00 42.25 C +ATOM 419 O ILE D 65 -5.203 3.758 -7.321 1.00 43.45 O +ATOM 420 CB ILE D 65 -8.444 3.713 -7.695 1.00 41.71 C +ATOM 421 CG1 ILE D 65 -9.696 4.612 -7.576 1.00 41.70 C +ATOM 422 CG2 ILE D 65 -8.078 3.170 -6.350 1.00 41.32 C +ATOM 423 CD1 ILE D 65 -10.948 3.924 -7.114 1.00 40.15 C +ATOM 424 N ARG D 66 -5.818 2.803 -9.243 1.00 42.04 N +ATOM 425 CA ARG D 66 -4.624 1.978 -9.322 1.00 43.07 C +ATOM 426 C ARG D 66 -3.374 2.838 -9.284 1.00 42.86 C +ATOM 427 O ARG D 66 -2.535 2.658 -8.395 1.00 43.46 O +ATOM 428 CB ARG D 66 -4.668 1.059 -10.572 1.00 42.69 C +ATOM 429 CG ARG D 66 -3.713 -0.154 -10.509 1.00 44.72 C +ATOM 430 CD ARG D 66 -3.736 -1.064 -11.788 1.00 44.63 C +ATOM 431 NE ARG D 66 -5.066 -1.236 -12.402 1.00 49.74 N +ATOM 432 CZ ARG D 66 -5.797 -2.358 -12.366 1.00 54.01 C +ATOM 433 NH1 ARG D 66 -5.350 -3.453 -11.726 1.00 55.62 N +ATOM 434 NH2 ARG D 66 -6.993 -2.400 -12.975 1.00 54.51 N +ATOM 435 N GLN D 67 -3.275 3.795 -10.211 1.00 42.59 N +ATOM 436 CA GLN D 67 -2.153 4.764 -10.283 1.00 43.16 C +ATOM 437 C GLN D 67 -1.874 5.573 -9.018 1.00 42.06 C +ATOM 438 O GLN D 67 -0.735 5.699 -8.602 1.00 41.88 O +ATOM 439 CB GLN D 67 -2.388 5.777 -11.406 1.00 42.59 C +ATOM 440 CG GLN D 67 -2.365 5.209 -12.791 1.00 44.96 C +ATOM 441 CD GLN D 67 -2.657 6.264 -13.879 1.00 45.75 C +ATOM 442 OE1 GLN D 67 -2.042 7.377 -13.903 1.00 47.55 O +ATOM 443 NE2 GLN D 67 -3.576 5.914 -14.803 1.00 44.78 N +ATOM 444 N SER D 68 -2.904 6.138 -8.411 1.00 41.68 N +ATOM 445 CA SER D 68 -2.666 6.890 -7.206 1.00 42.28 C +ATOM 446 C SER D 68 -2.157 5.956 -6.090 1.00 41.56 C +ATOM 447 O SER D 68 -1.240 6.275 -5.370 1.00 40.18 O +ATOM 448 CB SER D 68 -3.916 7.663 -6.795 1.00 41.68 C +ATOM 449 OG SER D 68 -4.830 6.774 -6.190 1.00 47.30 O +ATOM 450 N ASN D 69 -2.746 4.775 -5.980 1.00 43.90 N +ATOM 451 CA ASN D 69 -2.290 3.737 -5.000 1.00 43.58 C +ATOM 452 C ASN D 69 -0.790 3.521 -5.073 1.00 44.11 C +ATOM 453 O ASN D 69 -0.086 3.650 -4.064 1.00 43.49 O +ATOM 454 CB ASN D 69 -3.078 2.437 -5.201 1.00 44.12 C +ATOM 455 CG ASN D 69 -4.372 2.417 -4.403 1.00 44.35 C +ATOM 456 OD1 ASN D 69 -5.159 1.481 -4.495 1.00 46.47 O +ATOM 457 ND2 ASN D 69 -4.597 3.460 -3.613 1.00 44.38 N +ATOM 458 N GLN D 70 -0.309 3.250 -6.291 1.00 45.43 N +ATOM 459 CA GLN D 70 1.118 3.145 -6.596 1.00 46.57 C +ATOM 460 C GLN D 70 1.939 4.364 -6.111 1.00 47.65 C +ATOM 461 O GLN D 70 2.926 4.203 -5.381 1.00 48.60 O +ATOM 462 CB GLN D 70 1.330 2.898 -8.095 1.00 46.08 C +ATOM 463 CG GLN D 70 2.718 2.405 -8.444 1.00 47.48 C +ATOM 464 CD GLN D 70 3.226 1.308 -7.481 1.00 51.44 C +ATOM 465 OE1 GLN D 70 2.736 0.176 -7.500 1.00 52.76 O +ATOM 466 NE2 GLN D 70 4.240 1.640 -6.660 1.00 51.28 N +ATOM 467 N ILE D 71 1.525 5.576 -6.489 1.00 48.47 N +ATOM 468 CA ILE D 71 2.162 6.804 -5.992 1.00 48.95 C +ATOM 469 C ILE D 71 2.091 6.963 -4.463 1.00 49.39 C +ATOM 470 O ILE D 71 3.084 7.192 -3.818 1.00 48.87 O +ATOM 471 CB ILE D 71 1.594 8.039 -6.713 1.00 49.57 C +ATOM 472 CG1 ILE D 71 2.142 8.089 -8.144 1.00 49.00 C +ATOM 473 CG2 ILE D 71 1.845 9.367 -5.889 1.00 49.30 C +ATOM 474 CD1 ILE D 71 1.268 8.884 -9.078 1.00 51.20 C +ATOM 475 N LEU D 72 0.925 6.805 -3.878 1.00 51.23 N +ATOM 476 CA LEU D 72 0.834 6.724 -2.432 1.00 53.43 C +ATOM 477 C LEU D 72 1.807 5.709 -1.770 1.00 55.15 C +ATOM 478 O LEU D 72 2.466 6.046 -0.768 1.00 57.04 O +ATOM 479 CB LEU D 72 -0.621 6.480 -2.007 1.00 53.31 C +ATOM 480 CG LEU D 72 -1.562 7.680 -2.061 1.00 53.25 C +ATOM 481 CD1 LEU D 72 -2.937 7.280 -1.553 1.00 50.17 C +ATOM 482 CD2 LEU D 72 -1.001 8.861 -1.240 1.00 54.25 C +ATOM 483 N ARG D 73 1.942 4.506 -2.326 1.00 55.46 N +ATOM 484 CA ARG D 73 2.933 3.558 -1.807 1.00 56.85 C +ATOM 485 C ARG D 73 4.350 4.113 -1.804 1.00 56.60 C +ATOM 486 O ARG D 73 5.036 4.044 -0.793 1.00 56.95 O +ATOM 487 CB ARG D 73 2.901 2.183 -2.542 1.00 56.61 C +ATOM 488 CG ARG D 73 1.826 1.256 -2.015 1.00 57.62 C +ATOM 489 CD ARG D 73 1.806 -0.153 -2.685 1.00 57.49 C +ATOM 490 NE ARG D 73 1.395 -0.079 -4.089 1.00 59.13 N +ATOM 491 CZ ARG D 73 0.182 -0.385 -4.563 1.00 58.38 C +ATOM 492 NH1 ARG D 73 -0.783 -0.793 -3.745 1.00 56.06 N +ATOM 493 NH2 ARG D 73 -0.072 -0.266 -5.873 1.00 58.56 N +ATOM 494 N GLU D 74 4.778 4.668 -2.932 1.00 57.02 N +ATOM 495 CA GLU D 74 6.153 5.108 -3.058 1.00 56.86 C +ATOM 496 C GLU D 74 6.400 6.281 -2.151 1.00 56.26 C +ATOM 497 O GLU D 74 7.400 6.316 -1.469 1.00 56.00 O +ATOM 498 CB GLU D 74 6.513 5.382 -4.521 1.00 57.28 C +ATOM 499 CG GLU D 74 6.382 4.100 -5.366 1.00 58.84 C +ATOM 500 CD GLU D 74 7.032 4.200 -6.739 1.00 62.36 C +ATOM 501 OE1 GLU D 74 8.091 3.559 -6.950 1.00 62.63 O +ATOM 502 OE2 GLU D 74 6.483 4.917 -7.610 1.00 62.94 O +ATOM 503 N ARG D 75 5.441 7.194 -2.085 1.00 55.95 N +ATOM 504 CA ARG D 75 5.566 8.407 -1.292 1.00 55.92 C +ATOM 505 C ARG D 75 5.583 8.206 0.218 1.00 55.73 C +ATOM 506 O ARG D 75 6.364 8.850 0.904 1.00 55.34 O +ATOM 507 CB ARG D 75 4.453 9.396 -1.629 1.00 55.89 C +ATOM 508 CG ARG D 75 4.751 10.385 -2.757 1.00 59.22 C +ATOM 509 CD ARG D 75 6.210 10.436 -3.196 1.00 60.72 C +ATOM 510 NE ARG D 75 6.346 9.631 -4.394 1.00 65.44 N +ATOM 511 CZ ARG D 75 7.254 9.812 -5.345 1.00 67.31 C +ATOM 512 NH1 ARG D 75 8.155 10.786 -5.251 1.00 67.80 N +ATOM 513 NH2 ARG D 75 7.249 9.001 -6.401 1.00 68.76 N +ATOM 514 N CYS D 76 4.730 7.326 0.746 1.00 55.92 N +ATOM 515 CA CYS D 76 4.837 6.961 2.178 1.00 56.08 C +ATOM 516 C CYS D 76 6.188 6.334 2.535 1.00 55.13 C +ATOM 517 O CYS D 76 6.794 6.738 3.515 1.00 55.29 O +ATOM 518 CB CYS D 76 3.701 6.082 2.634 1.00 56.35 C +ATOM 519 SG CYS D 76 2.134 6.888 2.421 1.00 60.10 S +ATOM 520 N GLU D 77 6.701 5.400 1.731 1.00 54.45 N +ATOM 521 CA GLU D 77 8.044 4.865 2.017 1.00 53.71 C +ATOM 522 C GLU D 77 9.045 5.995 2.225 1.00 53.32 C +ATOM 523 O GLU D 77 9.867 5.923 3.134 1.00 53.60 O +ATOM 524 CB GLU D 77 8.553 3.905 0.933 1.00 54.15 C +ATOM 525 N GLU D 78 8.965 7.038 1.392 1.00 52.76 N +ATOM 526 CA GLU D 78 9.894 8.168 1.446 1.00 52.04 C +ATOM 527 C GLU D 78 9.743 8.984 2.715 1.00 50.67 C +ATOM 528 O GLU D 78 10.718 9.413 3.299 1.00 51.00 O +ATOM 529 CB GLU D 78 9.660 9.081 0.265 1.00 53.04 C +ATOM 530 CG GLU D 78 10.070 8.492 -1.059 1.00 55.64 C +ATOM 531 CD GLU D 78 9.981 9.507 -2.171 1.00 59.63 C +ATOM 532 OE1 GLU D 78 9.202 9.284 -3.136 1.00 62.03 O +ATOM 533 OE2 GLU D 78 10.693 10.535 -2.067 1.00 62.13 O +ATOM 534 N LEU D 79 8.504 9.190 3.125 1.00 50.01 N +ATOM 535 CA LEU D 79 8.160 9.871 4.378 1.00 48.93 C +ATOM 536 C LEU D 79 8.670 9.203 5.625 1.00 47.67 C +ATOM 537 O LEU D 79 9.129 9.887 6.523 1.00 45.09 O +ATOM 538 CB LEU D 79 6.661 9.993 4.501 1.00 48.92 C +ATOM 539 CG LEU D 79 5.911 11.317 4.363 1.00 50.98 C +ATOM 540 CD1 LEU D 79 6.688 12.443 3.742 1.00 50.25 C +ATOM 541 CD2 LEU D 79 4.585 10.977 3.645 1.00 51.37 C +ATOM 542 N LEU D 80 8.563 7.861 5.680 1.00 47.83 N +ATOM 543 CA LEU D 80 9.030 7.072 6.838 1.00 47.57 C +ATOM 544 C LEU D 80 10.540 7.214 6.977 1.00 48.32 C +ATOM 545 O LEU D 80 11.055 7.374 8.096 1.00 47.40 O +ATOM 546 CB LEU D 80 8.605 5.602 6.734 1.00 47.41 C +ATOM 547 CG LEU D 80 7.077 5.498 6.589 1.00 48.49 C +ATOM 548 CD1 LEU D 80 6.589 4.173 5.949 1.00 51.42 C +ATOM 549 CD2 LEU D 80 6.301 5.925 7.910 1.00 46.80 C +ATOM 550 N HIS D 81 11.232 7.240 5.833 1.00 48.36 N +ATOM 551 CA HIS D 81 12.655 7.476 5.839 1.00 48.69 C +ATOM 552 C HIS D 81 12.963 8.881 6.265 1.00 48.44 C +ATOM 553 O HIS D 81 13.848 9.126 7.102 1.00 49.56 O +ATOM 554 CB HIS D 81 13.226 7.200 4.466 1.00 49.35 C +ATOM 555 CG HIS D 81 13.303 5.749 4.164 1.00 52.15 C +ATOM 556 ND1 HIS D 81 14.334 4.954 4.627 1.00 54.65 N +ATOM 557 CD2 HIS D 81 12.438 4.925 3.530 1.00 53.35 C +ATOM 558 CE1 HIS D 81 14.121 3.707 4.243 1.00 55.61 C +ATOM 559 NE2 HIS D 81 12.982 3.665 3.570 1.00 55.51 N +ATOM 560 N PHE D 82 12.232 9.827 5.707 1.00 47.78 N +ATOM 561 CA PHE D 82 12.382 11.192 6.166 1.00 46.46 C +ATOM 562 C PHE D 82 12.311 11.339 7.697 1.00 45.41 C +ATOM 563 O PHE D 82 13.106 12.051 8.271 1.00 44.79 O +ATOM 564 CB PHE D 82 11.355 12.079 5.544 1.00 46.07 C +ATOM 565 CG PHE D 82 11.638 13.498 5.775 1.00 47.59 C +ATOM 566 CD1 PHE D 82 12.910 14.003 5.501 1.00 46.59 C +ATOM 567 CD2 PHE D 82 10.658 14.347 6.279 1.00 48.93 C +ATOM 568 CE1 PHE D 82 13.192 15.326 5.726 1.00 45.70 C +ATOM 569 CE2 PHE D 82 10.914 15.693 6.468 1.00 44.81 C +ATOM 570 CZ PHE D 82 12.187 16.182 6.199 1.00 46.08 C +ATOM 571 N GLN D 83 11.387 10.624 8.339 1.00 44.42 N +ATOM 572 CA GLN D 83 11.202 10.715 9.801 1.00 43.76 C +ATOM 573 C GLN D 83 12.451 10.374 10.605 1.00 43.37 C +ATOM 574 O GLN D 83 12.707 10.970 11.663 1.00 44.07 O +ATOM 575 CB GLN D 83 10.101 9.794 10.250 1.00 43.56 C +ATOM 576 CG GLN D 83 8.709 10.345 10.159 1.00 42.44 C +ATOM 577 CD GLN D 83 7.706 9.293 10.611 1.00 40.60 C +ATOM 578 OE1 GLN D 83 8.085 8.323 11.256 1.00 37.93 O +ATOM 579 NE2 GLN D 83 6.436 9.476 10.271 1.00 40.01 N +ATOM 580 N ALA D 84 13.227 9.420 10.108 1.00 42.34 N +ATOM 581 CA ALA D 84 14.516 9.090 10.711 1.00 41.55 C +ATOM 582 C ALA D 84 15.536 10.225 10.462 1.00 41.76 C +ATOM 583 O ALA D 84 16.289 10.560 11.369 1.00 41.26 O +ATOM 584 CB ALA D 84 15.025 7.737 10.134 1.00 41.17 C +ATOM 585 N SER D 85 15.584 10.785 9.225 1.00 41.67 N +ATOM 586 CA SER D 85 16.580 11.815 8.877 1.00 42.51 C +ATOM 587 C SER D 85 16.382 13.054 9.766 1.00 41.57 C +ATOM 588 O SER D 85 17.350 13.674 10.163 1.00 40.81 O +ATOM 589 CB SER D 85 16.493 12.296 7.418 1.00 41.84 C +ATOM 590 OG SER D 85 16.028 11.298 6.549 1.00 46.59 O +ATOM 591 N GLN D 86 15.110 13.397 9.974 1.00 40.87 N +ATOM 592 CA GLN D 86 14.641 14.525 10.723 1.00 41.19 C +ATOM 593 C GLN D 86 15.040 14.403 12.177 1.00 42.32 C +ATOM 594 O GLN D 86 15.404 15.405 12.819 1.00 42.87 O +ATOM 595 CB GLN D 86 13.111 14.614 10.596 1.00 40.41 C +ATOM 596 N ARG D 87 15.003 13.184 12.715 1.00 42.37 N +ATOM 597 CA ARG D 87 15.402 12.980 14.128 1.00 42.28 C +ATOM 598 C ARG D 87 16.934 12.916 14.329 1.00 42.50 C +ATOM 599 O ARG D 87 17.432 13.338 15.385 1.00 43.32 O +ATOM 600 CB ARG D 87 14.675 11.786 14.755 1.00 42.29 C +ATOM 601 N GLU D 88 17.686 12.438 13.328 1.00 42.09 N +ATOM 602 CA GLU D 88 19.168 12.491 13.364 1.00 41.21 C +ATOM 603 C GLU D 88 19.715 13.938 13.404 1.00 41.55 C +ATOM 604 O GLU D 88 20.597 14.272 14.217 1.00 39.45 O +ATOM 605 CB GLU D 88 19.797 11.759 12.196 1.00 40.10 C +ATOM 606 N GLU D 89 19.209 14.786 12.512 1.00 41.34 N +ATOM 607 CA GLU D 89 19.613 16.189 12.534 1.00 41.38 C +ATOM 608 C GLU D 89 19.140 16.982 13.785 1.00 38.74 C +ATOM 609 O GLU D 89 19.868 17.803 14.277 1.00 38.51 O +ATOM 610 CB GLU D 89 19.172 16.870 11.256 1.00 43.57 C +ATOM 611 CG GLU D 89 20.258 17.860 10.756 1.00 49.21 C +ATOM 612 CD GLU D 89 19.646 18.931 9.972 1.00 56.54 C +ATOM 613 OE1 GLU D 89 18.399 18.899 9.948 1.00 61.23 O +ATOM 614 OE2 GLU D 89 20.366 19.799 9.387 1.00 61.43 O +ATOM 615 N LYS D 90 17.935 16.710 14.253 1.00 38.44 N +ATOM 616 CA LYS D 90 17.382 17.121 15.567 1.00 39.27 C +ATOM 617 C LYS D 90 18.464 16.956 16.645 1.00 39.27 C +ATOM 618 O LYS D 90 18.926 17.919 17.273 1.00 37.64 O +ATOM 619 CB LYS D 90 16.118 16.928 15.980 0.00 53.77 C +ATOM 620 N GLU D 91 18.920 15.728 16.787 1.00 38.26 N +ATOM 621 CA GLU D 91 19.838 15.396 17.859 1.00 37.87 C +ATOM 622 C GLU D 91 21.253 15.937 17.617 1.00 37.37 C +ATOM 623 O GLU D 91 21.950 16.344 18.548 1.00 35.78 O +ATOM 624 CB GLU D 91 19.805 13.878 18.099 1.00 38.25 C +ATOM 625 N PHE D 92 21.668 15.986 16.352 1.00 36.65 N +ATOM 626 CA PHE D 92 22.921 16.657 16.039 1.00 35.62 C +ATOM 627 C PHE D 92 22.878 18.163 16.367 1.00 34.39 C +ATOM 628 O PHE D 92 23.830 18.714 16.899 1.00 33.65 O +ATOM 629 CB PHE D 92 23.226 16.441 14.567 1.00 36.21 C +ATOM 630 CG PHE D 92 24.395 17.199 14.078 1.00 34.63 C +ATOM 631 CD1 PHE D 92 25.649 16.600 14.033 1.00 34.59 C +ATOM 632 CD2 PHE D 92 24.248 18.504 13.637 1.00 32.64 C +ATOM 633 CE1 PHE D 92 26.767 17.299 13.547 1.00 34.73 C +ATOM 634 CE2 PHE D 92 25.367 19.236 13.132 1.00 34.87 C +ATOM 635 CZ PHE D 92 26.627 18.631 13.102 1.00 35.44 C +ATOM 636 N LEU D 93 21.797 18.863 16.059 1.00 34.46 N +ATOM 637 CA LEU D 93 21.834 20.316 16.320 1.00 34.40 C +ATOM 638 C LEU D 93 21.765 20.616 17.814 1.00 35.35 C +ATOM 639 O LEU D 93 22.407 21.526 18.305 1.00 36.32 O +ATOM 640 CB LEU D 93 20.734 21.014 15.596 1.00 33.48 C +ATOM 641 CG LEU D 93 21.067 20.994 14.085 1.00 34.23 C +ATOM 642 CD1 LEU D 93 19.847 21.304 13.222 1.00 35.68 C +ATOM 643 CD2 LEU D 93 22.194 21.863 13.786 1.00 29.59 C +ATOM 644 N MET D 94 20.976 19.849 18.528 1.00 34.92 N +ATOM 645 CA MET D 94 20.857 19.962 19.967 1.00 37.06 C +ATOM 646 C MET D 94 22.223 19.795 20.618 1.00 37.58 C +ATOM 647 O MET D 94 22.643 20.610 21.442 1.00 37.52 O +ATOM 648 CB MET D 94 19.874 18.912 20.458 1.00 36.90 C +ATOM 649 CG MET D 94 19.095 19.392 21.646 1.00 43.22 C +ATOM 650 SD MET D 94 18.066 20.842 21.295 1.00 44.61 S +ATOM 651 CE MET D 94 16.632 20.024 20.613 1.00 47.80 C +ATOM 652 N CYS D 95 22.952 18.783 20.184 1.00 38.48 N +ATOM 653 CA CYS D 95 24.334 18.628 20.566 1.00 38.85 C +ATOM 654 C CYS D 95 25.199 19.880 20.373 1.00 39.63 C +ATOM 655 O CYS D 95 25.940 20.285 21.304 1.00 39.45 O +ATOM 656 CB CYS D 95 24.916 17.533 19.723 1.00 39.85 C +ATOM 657 SG CYS D 95 26.398 16.890 20.356 1.00 44.18 S +ATOM 658 N LYS D 96 25.133 20.463 19.165 1.00 38.06 N +ATOM 659 CA LYS D 96 25.866 21.649 18.835 1.00 37.90 C +ATOM 660 C LYS D 96 25.396 22.907 19.617 1.00 38.39 C +ATOM 661 O LYS D 96 26.218 23.704 19.953 1.00 37.89 O +ATOM 662 CB LYS D 96 25.838 21.903 17.320 1.00 38.33 C +ATOM 663 CG LYS D 96 26.210 20.689 16.465 1.00 37.02 C +ATOM 664 CD LYS D 96 27.669 20.367 16.497 1.00 37.53 C +ATOM 665 CE LYS D 96 27.820 18.885 16.770 1.00 38.81 C +ATOM 666 NZ LYS D 96 29.237 18.460 17.041 1.00 40.22 N +ATOM 667 N PHE D 97 24.097 23.085 19.870 1.00 38.74 N +ATOM 668 CA PHE D 97 23.584 24.153 20.742 1.00 39.96 C +ATOM 669 C PHE D 97 24.330 24.045 22.101 1.00 40.74 C +ATOM 670 O PHE D 97 24.952 25.016 22.581 1.00 40.70 O +ATOM 671 CB PHE D 97 22.059 24.000 20.944 1.00 39.37 C +ATOM 672 CG PHE D 97 21.456 24.861 22.095 1.00 41.86 C +ATOM 673 CD1 PHE D 97 21.099 26.207 21.885 1.00 38.47 C +ATOM 674 CD2 PHE D 97 21.182 24.294 23.346 1.00 41.10 C +ATOM 675 CE1 PHE D 97 20.554 26.966 22.875 1.00 37.99 C +ATOM 676 CE2 PHE D 97 20.636 25.062 24.375 1.00 41.35 C +ATOM 677 CZ PHE D 97 20.315 26.404 24.137 1.00 41.71 C +ATOM 678 N GLN D 98 24.308 22.839 22.666 1.00 40.67 N +ATOM 679 CA GLN D 98 24.898 22.559 23.963 1.00 39.92 C +ATOM 680 C GLN D 98 26.376 22.890 23.991 1.00 40.12 C +ATOM 681 O GLN D 98 26.784 23.735 24.793 1.00 40.23 O +ATOM 682 CB GLN D 98 24.581 21.132 24.313 1.00 40.53 C +ATOM 683 CG GLN D 98 23.056 21.034 24.469 1.00 44.53 C +ATOM 684 CD GLN D 98 22.555 19.773 25.072 1.00 50.38 C +ATOM 685 OE1 GLN D 98 21.888 19.796 26.114 1.00 52.61 O +ATOM 686 NE2 GLN D 98 22.827 18.646 24.410 1.00 54.50 N +ATOM 687 N GLU D 99 27.158 22.322 23.070 1.00 38.87 N +ATOM 688 CA GLU D 99 28.562 22.577 23.015 1.00 39.13 C +ATOM 689 C GLU D 99 28.795 24.052 22.892 1.00 39.25 C +ATOM 690 O GLU D 99 29.707 24.582 23.544 1.00 40.36 O +ATOM 691 CB GLU D 99 29.229 21.889 21.827 1.00 39.46 C +ATOM 692 CG GLU D 99 29.287 20.386 21.970 1.00 44.80 C +ATOM 693 CD GLU D 99 29.593 19.674 20.654 1.00 52.79 C +ATOM 694 OE1 GLU D 99 30.538 20.115 19.944 1.00 55.27 O +ATOM 695 OE2 GLU D 99 28.883 18.672 20.330 1.00 55.17 O +ATOM 696 N ALA D 100 27.987 24.704 22.052 1.00 37.28 N +ATOM 697 CA ALA D 100 28.143 26.123 21.780 1.00 36.35 C +ATOM 698 C ALA D 100 27.903 26.990 23.020 1.00 34.50 C +ATOM 699 O ALA D 100 28.699 27.862 23.284 1.00 34.52 O +ATOM 700 CB ALA D 100 27.273 26.578 20.557 1.00 35.15 C +ATOM 701 N ARG D 101 26.823 26.725 23.742 1.00 34.01 N +ATOM 702 CA ARG D 101 26.521 27.288 25.062 1.00 36.62 C +ATOM 703 C ARG D 101 27.706 27.091 26.053 1.00 35.69 C +ATOM 704 O ARG D 101 28.165 28.042 26.660 1.00 37.21 O +ATOM 705 CB ARG D 101 25.181 26.668 25.609 1.00 36.44 C +ATOM 706 CG ARG D 101 24.626 27.222 26.916 1.00 37.83 C +ATOM 707 CD ARG D 101 23.253 26.588 27.434 1.00 40.29 C +ATOM 708 NE ARG D 101 22.967 25.119 27.348 1.00 51.81 N +ATOM 709 CZ ARG D 101 23.822 24.063 27.282 1.00 55.34 C +ATOM 710 NH1 ARG D 101 25.165 24.160 27.335 1.00 52.48 N +ATOM 711 NH2 ARG D 101 23.299 22.840 27.175 1.00 56.42 N +ATOM 712 N LYS D 102 28.247 25.890 26.136 1.00 35.82 N +ATOM 713 CA LYS D 102 29.382 25.541 27.044 1.00 35.62 C +ATOM 714 C LYS D 102 30.569 26.433 26.685 1.00 36.07 C +ATOM 715 O LYS D 102 31.001 27.280 27.468 1.00 34.57 O +ATOM 716 CB LYS D 102 29.542 23.976 27.056 0.00 49.97 C +ATOM 717 N LEU D 103 31.071 26.277 25.466 1.00 36.70 N +ATOM 718 CA LEU D 103 32.159 27.122 24.985 1.00 36.87 C +ATOM 719 C LEU D 103 31.955 28.601 25.351 1.00 37.29 C +ATOM 720 O LEU D 103 32.848 29.219 25.932 1.00 37.92 O +ATOM 721 CB LEU D 103 32.332 26.960 23.484 1.00 36.78 C +ATOM 722 CG LEU D 103 33.552 27.630 22.870 1.00 36.35 C +ATOM 723 CD1 LEU D 103 34.852 27.348 23.769 1.00 31.69 C +ATOM 724 CD2 LEU D 103 33.704 27.130 21.420 1.00 34.16 C +ATOM 725 N VAL D 104 30.782 29.157 25.057 1.00 37.39 N +ATOM 726 CA VAL D 104 30.571 30.597 25.272 1.00 37.08 C +ATOM 727 C VAL D 104 30.681 30.983 26.758 1.00 37.56 C +ATOM 728 O VAL D 104 31.335 32.013 27.114 1.00 36.13 O +ATOM 729 CB VAL D 104 29.238 31.096 24.653 1.00 37.45 C +ATOM 730 CG1 VAL D 104 28.727 32.411 25.354 1.00 36.13 C +ATOM 731 CG2 VAL D 104 29.377 31.262 23.128 1.00 33.92 C +ATOM 732 N GLU D 105 30.027 30.151 27.586 1.00 37.41 N +ATOM 733 CA GLU D 105 30.144 30.172 29.047 1.00 38.35 C +ATOM 734 C GLU D 105 31.596 30.158 29.502 1.00 36.95 C +ATOM 735 O GLU D 105 31.987 30.947 30.349 1.00 37.41 O +ATOM 736 CB GLU D 105 29.383 29.002 29.708 1.00 38.13 C +ATOM 737 CG GLU D 105 29.607 28.962 31.230 1.00 40.52 C +ATOM 738 CD GLU D 105 28.928 27.796 31.975 1.00 41.22 C +ATOM 739 OE1 GLU D 105 28.658 26.707 31.402 1.00 43.94 O +ATOM 740 OE2 GLU D 105 28.687 27.984 33.191 1.00 48.28 O +ATOM 741 N ARG D 106 32.402 29.280 28.928 1.00 36.72 N +ATOM 742 CA ARG D 106 33.807 29.250 29.290 1.00 37.20 C +ATOM 743 C ARG D 106 34.683 30.430 28.867 1.00 37.54 C +ATOM 744 O ARG D 106 35.528 30.865 29.649 1.00 37.44 O +ATOM 745 CB ARG D 106 34.436 28.008 28.814 1.00 36.13 C +ATOM 746 CG ARG D 106 33.987 26.859 29.547 1.00 38.45 C +ATOM 747 CD ARG D 106 35.025 25.826 29.433 1.00 40.16 C +ATOM 748 NE ARG D 106 34.686 24.765 28.524 1.00 40.70 N +ATOM 749 CZ ARG D 106 34.049 23.646 28.873 1.00 44.20 C +ATOM 750 NH1 ARG D 106 33.613 23.465 30.122 1.00 41.80 N +ATOM 751 NH2 ARG D 106 33.794 22.720 27.947 1.00 44.51 N +ATOM 752 N LEU D 107 34.532 30.904 27.635 1.00 37.43 N +ATOM 753 CA LEU D 107 35.246 32.087 27.203 1.00 37.25 C +ATOM 754 C LEU D 107 34.858 33.333 28.044 1.00 37.16 C +ATOM 755 O LEU D 107 35.728 34.073 28.486 1.00 36.59 O +ATOM 756 CB LEU D 107 34.988 32.323 25.714 1.00 37.88 C +ATOM 757 CG LEU D 107 35.858 31.850 24.526 1.00 39.60 C +ATOM 758 CD1 LEU D 107 36.977 30.846 24.856 1.00 39.77 C +ATOM 759 CD2 LEU D 107 34.972 31.393 23.348 1.00 36.03 C +ATOM 760 N GLY D 108 33.564 33.563 28.249 1.00 36.98 N +ATOM 761 CA GLY D 108 33.081 34.572 29.197 1.00 38.15 C +ATOM 762 C GLY D 108 33.800 34.554 30.540 1.00 40.00 C +ATOM 763 O GLY D 108 34.178 35.611 31.052 1.00 41.13 O +ATOM 764 N LEU D 109 34.014 33.373 31.132 1.00 40.79 N +ATOM 765 CA LEU D 109 34.865 33.277 32.359 1.00 41.51 C +ATOM 766 C LEU D 109 36.293 33.722 32.075 1.00 42.28 C +ATOM 767 O LEU D 109 36.872 34.514 32.815 1.00 42.69 O +ATOM 768 CB LEU D 109 34.900 31.844 32.871 1.00 40.79 C +ATOM 769 CG LEU D 109 33.752 31.377 33.758 1.00 40.67 C +ATOM 770 CD1 LEU D 109 33.724 29.841 33.809 1.00 35.67 C +ATOM 771 CD2 LEU D 109 33.896 32.015 35.171 1.00 39.45 C +ATOM 772 N GLU D 110 36.839 33.115 31.023 1.00 43.46 N +ATOM 773 CA GLU D 110 38.018 33.500 30.242 1.00 45.49 C +ATOM 774 C GLU D 110 39.092 32.404 30.196 1.00 46.42 C +ATOM 775 O GLU D 110 39.373 31.697 31.164 1.00 48.12 O +ATOM 776 CB GLU D 110 38.516 34.949 30.474 1.00 45.28 C +ATOM 777 CG GLU D 110 37.593 35.998 29.784 1.00 45.53 C +ATOM 778 CD GLU D 110 37.636 37.391 30.417 1.00 47.55 C +ATOM 779 OE1 GLU D 110 36.576 37.899 30.882 1.00 49.95 O +ATOM 780 OE2 GLU D 110 38.741 37.985 30.456 1.00 49.93 O Added: SwiftApps/modFTdock/input/3brt-5.pdb =================================================================== --- SwiftApps/modFTdock/input/3brt-5.pdb (rev 0) +++ SwiftApps/modFTdock/input/3brt-5.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,818 @@ +ATOM 1 N GLU B 49 -29.122 -8.130 -13.110 1.00 58.57 N +ATOM 2 CA GLU B 49 -28.972 -7.259 -14.310 1.00 58.79 C +ATOM 3 C GLU B 49 -27.622 -6.505 -14.339 1.00 58.01 C +ATOM 4 O GLU B 49 -27.141 -6.029 -13.315 1.00 57.14 O +ATOM 5 CB GLU B 49 -30.190 -6.332 -14.485 1.00 59.08 C +ATOM 6 CG GLU B 49 -29.899 -5.012 -15.220 1.00 61.30 C +ATOM 7 CD GLU B 49 -31.002 -4.613 -16.199 1.00 63.63 C +ATOM 8 OE1 GLU B 49 -31.235 -5.344 -17.191 1.00 61.42 O +ATOM 9 OE2 GLU B 49 -31.610 -3.540 -15.991 1.00 66.47 O +ATOM 10 N THR B 50 -27.031 -6.433 -15.536 1.00 57.60 N +ATOM 11 CA THR B 50 -25.689 -5.892 -15.757 1.00 57.58 C +ATOM 12 C THR B 50 -25.653 -4.366 -15.586 1.00 58.29 C +ATOM 13 O THR B 50 -24.622 -3.818 -15.247 1.00 58.71 O +ATOM 14 CB THR B 50 -25.144 -6.300 -17.184 1.00 57.99 C +ATOM 15 OG1 THR B 50 -25.325 -7.705 -17.386 1.00 53.90 O +ATOM 16 CG2 THR B 50 -23.630 -5.915 -17.386 1.00 56.21 C +ATOM 17 N LEU B 51 -26.778 -3.691 -15.830 1.00 59.12 N +ATOM 18 CA LEU B 51 -26.870 -2.241 -15.645 1.00 59.48 C +ATOM 19 C LEU B 51 -26.794 -1.861 -14.150 1.00 60.12 C +ATOM 20 O LEU B 51 -25.884 -1.135 -13.746 1.00 58.32 O +ATOM 21 CB LEU B 51 -28.153 -1.676 -16.287 1.00 59.60 C +ATOM 22 CG LEU B 51 -28.121 -0.369 -17.102 1.00 59.20 C +ATOM 23 CD1 LEU B 51 -29.497 0.283 -17.143 1.00 59.90 C +ATOM 24 CD2 LEU B 51 -27.122 0.595 -16.567 1.00 58.16 C +ATOM 25 N GLN B 52 -27.727 -2.379 -13.337 1.00 61.09 N +ATOM 26 CA GLN B 52 -27.767 -2.043 -11.895 1.00 62.01 C +ATOM 27 C GLN B 52 -26.415 -2.307 -11.258 1.00 61.97 C +ATOM 28 O GLN B 52 -25.959 -1.531 -10.426 1.00 61.49 O +ATOM 29 CB GLN B 52 -28.871 -2.818 -11.162 1.00 62.11 C +ATOM 30 CG GLN B 52 -30.244 -2.647 -11.818 1.00 64.57 C +ATOM 31 CD GLN B 52 -31.225 -3.768 -11.507 1.00 66.86 C +ATOM 32 OE1 GLN B 52 -31.340 -4.207 -10.362 1.00 67.78 O +ATOM 33 NE2 GLN B 52 -31.956 -4.227 -12.532 1.00 67.30 N +ATOM 34 N ARG B 53 -25.788 -3.407 -11.685 1.00 62.61 N +ATOM 35 CA ARG B 53 -24.498 -3.872 -11.170 1.00 63.22 C +ATOM 36 C ARG B 53 -23.392 -2.850 -11.405 1.00 62.81 C +ATOM 37 O ARG B 53 -22.575 -2.586 -10.529 1.00 61.67 O +ATOM 38 CB ARG B 53 -24.127 -5.206 -11.842 1.00 63.18 C +ATOM 39 CG ARG B 53 -23.070 -6.060 -11.110 1.00 63.64 C +ATOM 40 CD ARG B 53 -22.797 -7.371 -11.887 1.00 64.99 C +ATOM 41 NE ARG B 53 -21.425 -7.431 -12.423 1.00 68.53 N +ATOM 42 CZ ARG B 53 -21.068 -7.369 -13.714 1.00 68.13 C +ATOM 43 NH1 ARG B 53 -21.959 -7.239 -14.696 1.00 65.90 N +ATOM 44 NH2 ARG B 53 -19.780 -7.440 -14.023 1.00 68.01 N +ATOM 45 N CYS B 54 -23.394 -2.302 -12.613 1.00 63.22 N +ATOM 46 CA CYS B 54 -22.391 -1.369 -13.104 1.00 63.58 C +ATOM 47 C CYS B 54 -22.515 -0.006 -12.522 1.00 62.00 C +ATOM 48 O CYS B 54 -21.513 0.632 -12.213 1.00 61.60 O +ATOM 49 CB CYS B 54 -22.594 -1.191 -14.583 1.00 63.77 C +ATOM 50 SG CYS B 54 -21.273 -1.837 -15.417 1.00 72.50 S +ATOM 51 N LEU B 55 -23.758 0.455 -12.461 1.00 60.54 N +ATOM 52 CA LEU B 55 -24.097 1.710 -11.847 1.00 59.74 C +ATOM 53 C LEU B 55 -23.725 1.685 -10.366 1.00 58.91 C +ATOM 54 O LEU B 55 -23.172 2.647 -9.849 1.00 59.75 O +ATOM 55 CB LEU B 55 -25.579 2.005 -12.029 1.00 59.43 C +ATOM 56 CG LEU B 55 -25.987 2.427 -13.435 1.00 59.01 C +ATOM 57 CD1 LEU B 55 -27.474 2.328 -13.547 1.00 61.78 C +ATOM 58 CD2 LEU B 55 -25.546 3.843 -13.682 1.00 59.46 C +ATOM 59 N GLU B 56 -23.983 0.577 -9.691 1.00 57.34 N +ATOM 60 CA GLU B 56 -23.623 0.500 -8.276 1.00 56.25 C +ATOM 61 C GLU B 56 -22.090 0.545 -8.088 1.00 55.09 C +ATOM 62 O GLU B 56 -21.615 1.187 -7.166 1.00 54.87 O +ATOM 63 CB GLU B 56 -24.275 -0.692 -7.554 1.00 55.07 C +ATOM 64 N GLU B 57 -21.329 -0.091 -8.984 1.00 53.52 N +ATOM 65 CA GLU B 57 -19.883 -0.052 -8.869 1.00 52.58 C +ATOM 66 C GLU B 57 -19.308 1.310 -9.331 1.00 50.90 C +ATOM 67 O GLU B 57 -18.181 1.669 -9.005 1.00 50.79 O +ATOM 68 CB GLU B 57 -19.251 -1.194 -9.663 1.00 52.22 C +ATOM 69 CG GLU B 57 -17.805 -1.432 -9.250 1.00 54.92 C +ATOM 70 CD GLU B 57 -16.925 -1.977 -10.359 1.00 59.04 C +ATOM 71 OE1 GLU B 57 -17.497 -2.468 -11.372 1.00 61.71 O +ATOM 72 OE2 GLU B 57 -15.664 -1.933 -10.201 1.00 57.84 O +ATOM 73 N ASN B 58 -20.088 2.033 -10.126 1.00 49.94 N +ATOM 74 CA ASN B 58 -19.723 3.340 -10.611 1.00 49.69 C +ATOM 75 C ASN B 58 -19.796 4.334 -9.467 1.00 48.02 C +ATOM 76 O ASN B 58 -18.897 5.099 -9.289 1.00 49.44 O +ATOM 77 CB ASN B 58 -20.675 3.784 -11.693 1.00 49.49 C +ATOM 78 CG ASN B 58 -20.174 4.986 -12.407 1.00 52.99 C +ATOM 79 OD1 ASN B 58 -19.209 4.903 -13.167 1.00 58.17 O +ATOM 80 ND2 ASN B 58 -20.805 6.132 -12.169 1.00 55.35 N +ATOM 81 N GLN B 59 -20.877 4.293 -8.693 1.00 47.21 N +ATOM 82 CA GLN B 59 -21.043 5.112 -7.497 1.00 45.63 C +ATOM 83 C GLN B 59 -19.976 4.807 -6.484 1.00 44.51 C +ATOM 84 O GLN B 59 -19.348 5.731 -5.994 1.00 45.62 O +ATOM 85 CB GLN B 59 -22.434 4.899 -6.883 1.00 46.37 C +ATOM 86 CG GLN B 59 -22.837 5.926 -5.839 1.00 47.98 C +ATOM 87 CD GLN B 59 -22.860 7.356 -6.377 1.00 49.96 C +ATOM 88 OE1 GLN B 59 -21.946 8.155 -6.104 1.00 54.16 O +ATOM 89 NE2 GLN B 59 -23.901 7.688 -7.134 1.00 49.45 N +ATOM 90 N GLU B 60 -19.722 3.532 -6.182 1.00 42.66 N +ATOM 91 CA GLU B 60 -18.657 3.196 -5.202 1.00 41.32 C +ATOM 92 C GLU B 60 -17.259 3.617 -5.621 1.00 40.00 C +ATOM 93 O GLU B 60 -16.481 4.002 -4.801 1.00 40.04 O +ATOM 94 CB GLU B 60 -18.635 1.708 -4.847 1.00 41.84 C +ATOM 95 N LEU B 61 -16.927 3.524 -6.901 1.00 39.35 N +ATOM 96 CA LEU B 61 -15.627 3.975 -7.348 1.00 37.75 C +ATOM 97 C LEU B 61 -15.622 5.516 -7.312 1.00 38.13 C +ATOM 98 O LEU B 61 -14.588 6.082 -7.055 1.00 35.53 O +ATOM 99 CB LEU B 61 -15.253 3.481 -8.750 1.00 37.65 C +ATOM 100 CG LEU B 61 -14.881 2.008 -9.028 1.00 37.31 C +ATOM 101 CD1 LEU B 61 -15.215 1.595 -10.456 1.00 33.57 C +ATOM 102 CD2 LEU B 61 -13.407 1.726 -8.701 1.00 35.36 C +ATOM 103 N ARG B 62 -16.765 6.166 -7.577 1.00 38.55 N +ATOM 104 CA ARG B 62 -16.829 7.647 -7.494 1.00 38.84 C +ATOM 105 C ARG B 62 -16.754 8.159 -6.061 1.00 39.01 C +ATOM 106 O ARG B 62 -16.309 9.265 -5.856 1.00 39.20 O +ATOM 107 CB ARG B 62 -18.048 8.239 -8.198 1.00 38.99 C +ATOM 108 CG ARG B 62 -18.125 7.885 -9.674 1.00 41.44 C +ATOM 109 CD ARG B 62 -19.448 8.300 -10.266 1.00 45.20 C +ATOM 110 NE ARG B 62 -19.331 9.618 -10.872 1.00 48.90 N +ATOM 111 CZ ARG B 62 -19.730 9.950 -12.097 1.00 52.70 C +ATOM 112 NH1 ARG B 62 -20.347 9.078 -12.906 1.00 49.14 N +ATOM 113 NH2 ARG B 62 -19.528 11.199 -12.505 1.00 54.47 N +ATOM 114 N ASP B 63 -17.159 7.336 -5.090 1.00 39.65 N +ATOM 115 CA ASP B 63 -17.064 7.668 -3.660 1.00 39.58 C +ATOM 116 C ASP B 63 -15.649 7.434 -3.159 1.00 38.66 C +ATOM 117 O ASP B 63 -15.178 8.136 -2.298 1.00 38.68 O +ATOM 118 CB ASP B 63 -18.003 6.792 -2.808 1.00 40.22 C +ATOM 119 CG ASP B 63 -19.495 6.967 -3.149 1.00 43.46 C +ATOM 120 OD1 ASP B 63 -19.849 8.049 -3.688 1.00 46.59 O +ATOM 121 OD2 ASP B 63 -20.314 6.015 -2.868 1.00 44.98 O +ATOM 122 N ALA B 64 -14.972 6.425 -3.683 1.00 38.16 N +ATOM 123 CA ALA B 64 -13.609 6.170 -3.285 1.00 38.07 C +ATOM 124 C ALA B 64 -12.728 7.322 -3.744 1.00 39.00 C +ATOM 125 O ALA B 64 -11.904 7.816 -2.983 1.00 39.47 O +ATOM 126 CB ALA B 64 -13.110 4.839 -3.894 1.00 38.17 C +ATOM 127 N ILE B 65 -12.922 7.763 -4.988 1.00 38.99 N +ATOM 128 CA ILE B 65 -12.178 8.877 -5.544 1.00 40.32 C +ATOM 129 C ILE B 65 -12.447 10.284 -4.932 1.00 38.74 C +ATOM 130 O ILE B 65 -11.513 11.012 -4.689 1.00 39.64 O +ATOM 131 CB ILE B 65 -12.395 8.935 -7.063 1.00 41.09 C +ATOM 132 CG1 ILE B 65 -11.483 7.929 -7.730 1.00 44.05 C +ATOM 133 CG2 ILE B 65 -11.969 10.322 -7.589 1.00 40.88 C +ATOM 134 CD1 ILE B 65 -10.005 8.434 -7.688 1.00 46.45 C +ATOM 135 N ARG B 66 -13.691 10.686 -4.708 1.00 39.21 N +ATOM 136 CA ARG B 66 -13.955 11.973 -4.020 1.00 41.01 C +ATOM 137 C ARG B 66 -13.300 12.033 -2.637 1.00 40.17 C +ATOM 138 O ARG B 66 -12.782 13.079 -2.223 1.00 42.59 O +ATOM 139 CB ARG B 66 -15.454 12.310 -3.893 1.00 40.29 C +ATOM 140 CG ARG B 66 -16.256 11.927 -5.123 1.00 41.66 C +ATOM 141 CD ARG B 66 -17.739 12.383 -5.123 1.00 43.35 C +ATOM 142 NE ARG B 66 -18.629 11.419 -5.834 1.00 47.49 N +ATOM 143 CZ ARG B 66 -19.367 11.707 -6.920 1.00 50.36 C +ATOM 144 NH1 ARG B 66 -19.343 12.935 -7.452 1.00 51.94 N +ATOM 145 NH2 ARG B 66 -20.172 10.776 -7.463 1.00 51.24 N +ATOM 146 N GLN B 67 -13.306 10.916 -1.937 1.00 40.36 N +ATOM 147 CA GLN B 67 -12.866 10.879 -0.536 1.00 39.77 C +ATOM 148 C GLN B 67 -11.373 10.943 -0.510 1.00 39.37 C +ATOM 149 O GLN B 67 -10.812 11.791 0.117 1.00 40.39 O +ATOM 150 CB GLN B 67 -13.364 9.591 0.148 1.00 39.87 C +ATOM 151 N SER B 68 -10.720 10.068 -1.258 1.00 38.88 N +ATOM 152 CA SER B 68 -9.278 10.125 -1.414 1.00 37.67 C +ATOM 153 C SER B 68 -8.766 11.518 -1.911 1.00 37.13 C +ATOM 154 O SER B 68 -7.726 12.022 -1.466 1.00 37.27 O +ATOM 155 CB SER B 68 -8.931 9.071 -2.417 1.00 37.80 C +ATOM 156 OG SER B 68 -7.559 9.106 -2.635 1.00 44.49 O +ATOM 157 N ASN B 69 -9.497 12.136 -2.831 1.00 34.44 N +ATOM 158 CA ASN B 69 -9.172 13.473 -3.257 1.00 34.09 C +ATOM 159 C ASN B 69 -9.268 14.478 -2.108 1.00 34.36 C +ATOM 160 O ASN B 69 -8.402 15.303 -1.961 1.00 32.33 O +ATOM 161 CB ASN B 69 -10.080 13.927 -4.388 1.00 34.17 C +ATOM 162 CG ASN B 69 -9.705 13.303 -5.736 1.00 35.26 C +ATOM 163 OD1 ASN B 69 -8.718 12.584 -5.850 1.00 37.69 O +ATOM 164 ND2 ASN B 69 -10.514 13.579 -6.754 1.00 30.06 N +ATOM 165 N GLN B 70 -10.323 14.402 -1.303 1.00 35.32 N +ATOM 166 CA GLN B 70 -10.401 15.265 -0.144 1.00 36.65 C +ATOM 167 C GLN B 70 -9.158 15.119 0.744 1.00 36.34 C +ATOM 168 O GLN B 70 -8.545 16.121 1.123 1.00 36.48 O +ATOM 169 CB GLN B 70 -11.672 15.032 0.647 1.00 36.92 C +ATOM 170 CG GLN B 70 -11.765 16.008 1.831 1.00 43.76 C +ATOM 171 CD GLN B 70 -12.978 15.721 2.695 1.00 52.83 C +ATOM 172 OE1 GLN B 70 -14.036 15.228 2.200 1.00 55.76 O +ATOM 173 NE2 GLN B 70 -12.854 16.018 3.997 1.00 55.40 N +ATOM 174 N ILE B 71A -8.746 13.878 1.020 1.00 36.81 N +ATOM 175 CA ILE B 71A -7.597 13.628 1.888 1.00 35.97 C +ATOM 176 C ILE B 71A -6.334 14.174 1.287 1.00 36.85 C +ATOM 177 O ILE B 71A -5.575 14.801 1.979 1.00 39.24 O +ATOM 178 CB ILE B 71A -7.399 12.114 2.180 1.00 35.45 C +ATOM 179 CG1 ILE B 71A -8.380 11.612 3.247 1.00 33.91 C +ATOM 180 CG2 ILE B 71A -6.010 11.844 2.677 1.00 33.65 C +ATOM 181 CD1 ILE B 71A -8.968 10.102 2.925 1.00 35.17 C +ATOM 182 N LEU B 72 -6.073 13.897 0.013 1.00 38.04 N +ATOM 183 CA LEU B 72 -4.914 14.448 -0.700 1.00 37.59 C +ATOM 184 C LEU B 72 -4.944 15.957 -0.709 1.00 38.01 C +ATOM 185 O LEU B 72 -3.901 16.571 -0.584 1.00 38.19 O +ATOM 186 CB LEU B 72 -4.841 13.943 -2.157 1.00 36.39 C +ATOM 187 CG LEU B 72 -4.532 12.447 -2.277 1.00 38.64 C +ATOM 188 CD1 LEU B 72 -4.520 11.913 -3.704 1.00 34.29 C +ATOM 189 CD2 LEU B 72 -3.240 12.152 -1.595 1.00 34.41 C +ATOM 190 N ARG B 73 -6.103 16.587 -0.851 1.00 37.54 N +ATOM 191 CA ARG B 73 -5.973 18.012 -0.765 1.00 38.67 C +ATOM 192 C ARG B 73 -5.660 18.539 0.669 1.00 37.38 C +ATOM 193 O ARG B 73 -4.766 19.377 0.808 1.00 37.41 O +ATOM 194 CB ARG B 73 -6.853 18.811 -1.763 1.00 39.66 C +ATOM 195 CG ARG B 73 -8.036 19.650 -1.372 1.00 42.60 C +ATOM 196 CD ARG B 73 -9.192 19.238 -2.360 1.00 45.48 C +ATOM 197 NE ARG B 73 -8.995 19.725 -3.727 1.00 46.42 N +ATOM 198 CZ ARG B 73 -9.646 19.272 -4.808 1.00 47.19 C +ATOM 199 NH1 ARG B 73 -10.541 18.286 -4.718 1.00 47.69 N +ATOM 200 NH2 ARG B 73 -9.372 19.783 -6.001 1.00 44.41 N +ATOM 201 N GLU B 74 -6.215 17.891 1.707 1.00 35.54 N +ATOM 202 CA GLU B 74 -5.843 18.209 3.097 1.00 34.95 C +ATOM 203 C GLU B 74 -4.355 17.900 3.385 1.00 34.07 C +ATOM 204 O GLU B 74 -3.645 18.728 3.930 1.00 32.09 O +ATOM 205 CB GLU B 74 -6.796 17.541 4.124 1.00 34.72 C +ATOM 206 N ARG B 75 -3.880 16.724 2.960 1.00 32.89 N +ATOM 207 CA ARG B 75 -2.491 16.327 3.204 1.00 32.16 C +ATOM 208 C ARG B 75 -1.460 17.202 2.498 1.00 32.09 C +ATOM 209 O ARG B 75 -0.414 17.470 3.065 1.00 30.55 O +ATOM 210 CB ARG B 75 -2.256 14.889 2.734 1.00 32.87 C +ATOM 211 CG ARG B 75 -2.067 13.851 3.792 1.00 35.04 C +ATOM 212 CD ARG B 75 -3.253 13.626 4.645 1.00 35.44 C +ATOM 213 NE ARG B 75 -3.129 14.391 5.860 1.00 39.19 N +ATOM 214 CZ ARG B 75 -4.148 14.677 6.643 1.00 41.81 C +ATOM 215 NH1 ARG B 75 -5.362 14.260 6.326 1.00 44.44 N +ATOM 216 NH2 ARG B 75 -3.940 15.388 7.732 1.00 46.76 N +ATOM 217 N CYS B 76 -1.734 17.597 1.246 1.00 31.35 N +ATOM 218 CA CYS B 76 -0.840 18.506 0.539 1.00 32.32 C +ATOM 219 C CYS B 76 -0.756 19.843 1.203 1.00 31.67 C +ATOM 220 O CYS B 76 0.299 20.439 1.187 1.00 31.74 O +ATOM 221 CB CYS B 76 -1.310 18.790 -0.853 1.00 31.78 C +ATOM 222 SG CYS B 76 -1.120 17.511 -1.938 1.00 39.49 S +ATOM 223 N GLU B 77 -1.881 20.350 1.715 1.00 32.73 N +ATOM 224 CA GLU B 77 -1.933 21.659 2.337 1.00 33.81 C +ATOM 225 C GLU B 77 -1.133 21.613 3.633 1.00 34.61 C +ATOM 226 O GLU B 77 -0.296 22.470 3.908 1.00 34.55 O +ATOM 227 CB GLU B 77 -3.369 22.080 2.567 1.00 33.43 C +ATOM 228 CG GLU B 77 -3.528 23.437 3.193 1.00 37.35 C +ATOM 229 CD GLU B 77 -4.901 23.616 3.802 1.00 42.53 C +ATOM 230 OE1 GLU B 77 -5.635 22.604 3.886 1.00 48.01 O +ATOM 231 OE2 GLU B 77 -5.262 24.752 4.191 1.00 46.39 O +ATOM 232 N GLU B 78 -1.356 20.573 4.400 1.00 36.26 N +ATOM 233 CA GLU B 78 -0.553 20.315 5.607 1.00 38.41 C +ATOM 234 C GLU B 78 0.923 20.281 5.262 1.00 37.35 C +ATOM 235 O GLU B 78 1.759 20.843 5.958 1.00 37.89 O +ATOM 236 CB GLU B 78 -1.005 18.983 6.226 1.00 37.84 C +ATOM 237 CG GLU B 78 -0.406 18.653 7.577 1.00 41.12 C +ATOM 238 CD GLU B 78 -1.199 17.570 8.337 1.00 41.88 C +ATOM 239 OE1 GLU B 78 -1.897 16.719 7.671 1.00 45.25 O +ATOM 240 OE2 GLU B 78 -1.137 17.585 9.616 1.00 46.27 O +ATOM 241 N LEU B 79 1.259 19.636 4.154 1.00 37.34 N +ATOM 242 CA LEU B 79 2.668 19.393 3.863 1.00 37.16 C +ATOM 243 C LEU B 79 3.332 20.679 3.372 1.00 36.06 C +ATOM 244 O LEU B 79 4.507 20.905 3.618 1.00 36.16 O +ATOM 245 CB LEU B 79 2.799 18.299 2.855 1.00 36.49 C +ATOM 246 CG LEU B 79 3.919 17.304 2.623 1.00 38.12 C +ATOM 247 CD1 LEU B 79 4.413 16.532 3.858 1.00 38.52 C +ATOM 248 CD2 LEU B 79 3.252 16.316 1.671 1.00 35.83 C +ATOM 249 N LEU B 80 2.556 21.523 2.725 1.00 35.85 N +ATOM 250 CA LEU B 80 3.047 22.817 2.238 1.00 36.63 C +ATOM 251 C LEU B 80 3.340 23.737 3.440 1.00 36.22 C +ATOM 252 O LEU B 80 4.315 24.472 3.462 1.00 37.14 O +ATOM 253 CB LEU B 80 2.022 23.403 1.260 1.00 35.90 C +ATOM 254 CG LEU B 80 1.918 24.803 0.625 1.00 37.94 C +ATOM 255 CD1 LEU B 80 0.610 24.942 -0.127 1.00 37.90 C +ATOM 256 CD2 LEU B 80 2.030 25.979 1.602 1.00 43.86 C +ATOM 257 N HIS B 81 2.471 23.705 4.436 1.00 36.59 N +ATOM 258 CA HIS B 81 2.694 24.464 5.659 1.00 36.13 C +ATOM 259 C HIS B 81 3.913 23.997 6.468 1.00 33.83 C +ATOM 260 O HIS B 81 4.641 24.816 7.040 1.00 34.34 O +ATOM 261 CB HIS B 81 1.434 24.464 6.523 1.00 37.80 C +ATOM 262 CG HIS B 81 0.323 25.323 5.994 1.00 39.02 C +ATOM 263 ND1 HIS B 81 -0.655 24.846 5.149 1.00 41.71 N +ATOM 264 CD2 HIS B 81 0.014 26.618 6.226 1.00 40.21 C +ATOM 265 CE1 HIS B 81 -1.514 25.810 4.875 1.00 39.55 C +ATOM 266 NE2 HIS B 81 -1.135 26.893 5.521 1.00 40.26 N +ATOM 267 N PHE B 82 4.157 22.694 6.481 1.00 32.30 N +ATOM 268 CA PHE B 82 5.304 22.086 7.204 1.00 29.84 C +ATOM 269 C PHE B 82 6.543 22.500 6.498 1.00 29.93 C +ATOM 270 O PHE B 82 7.578 22.766 7.108 1.00 31.03 O +ATOM 271 CB PHE B 82 5.202 20.566 7.203 1.00 28.90 C +ATOM 272 CG PHE B 82 6.414 19.862 7.750 1.00 27.45 C +ATOM 273 CD1 PHE B 82 6.623 19.754 9.127 1.00 24.69 C +ATOM 274 CD2 PHE B 82 7.346 19.319 6.889 1.00 26.44 C +ATOM 275 CE1 PHE B 82 7.731 19.124 9.648 1.00 27.15 C +ATOM 276 CE2 PHE B 82 8.449 18.674 7.390 1.00 29.49 C +ATOM 277 CZ PHE B 82 8.653 18.569 8.788 1.00 28.63 C +ATOM 278 N GLN B 83 6.477 22.572 5.192 1.00 30.47 N +ATOM 279 CA GLN B 83 7.660 22.969 4.443 1.00 30.81 C +ATOM 280 C GLN B 83 8.041 24.382 4.772 1.00 30.51 C +ATOM 281 O GLN B 83 9.225 24.710 4.833 1.00 31.14 O +ATOM 282 CB GLN B 83 7.393 22.944 2.956 1.00 31.62 C +ATOM 283 CG GLN B 83 7.704 21.668 2.321 1.00 34.96 C +ATOM 284 CD GLN B 83 7.293 21.658 0.833 1.00 40.52 C +ATOM 285 OE1 GLN B 83 6.348 20.970 0.446 1.00 42.24 O +ATOM 286 NE2 GLN B 83 8.000 22.432 0.016 1.00 39.73 N +ATOM 287 N ALA B 84 7.055 25.240 4.936 1.00 30.99 N +ATOM 288 CA ALA B 84 7.335 26.632 5.241 1.00 32.00 C +ATOM 289 C ALA B 84 7.921 26.754 6.678 1.00 32.92 C +ATOM 290 O ALA B 84 8.862 27.532 6.869 1.00 34.04 O +ATOM 291 CB ALA B 84 6.089 27.514 5.041 1.00 31.69 C +ATOM 292 N SER B 85 7.423 25.956 7.634 1.00 32.49 N +ATOM 293 CA SER B 85 7.969 25.926 9.018 1.00 32.72 C +ATOM 294 C SER B 85 9.348 25.393 9.061 1.00 33.06 C +ATOM 295 O SER B 85 10.193 25.972 9.733 1.00 32.95 O +ATOM 296 CB SER B 85 7.154 25.076 9.904 1.00 32.22 C +ATOM 297 OG SER B 85 5.868 25.593 9.816 1.00 35.11 O +ATOM 298 N GLN B 86 9.609 24.344 8.268 1.00 33.38 N +ATOM 299 CA GLN B 86 10.960 23.813 8.194 1.00 33.31 C +ATOM 300 C GLN B 86 11.948 24.875 7.706 1.00 30.43 C +ATOM 301 O GLN B 86 13.009 25.057 8.273 1.00 28.85 O +ATOM 302 CB GLN B 86 11.021 22.543 7.342 1.00 33.40 C +ATOM 303 CG GLN B 86 10.367 21.347 8.102 1.00 39.07 C +ATOM 304 CD GLN B 86 11.134 20.915 9.388 1.00 44.37 C +ATOM 305 OE1 GLN B 86 12.094 20.129 9.310 1.00 46.80 O +ATOM 306 NE2 GLN B 86 10.699 21.417 10.573 1.00 47.55 N +ATOM 307 N ARG B 87 11.587 25.553 6.649 1.00 29.91 N +ATOM 308 CA ARG B 87 12.445 26.632 6.071 1.00 29.57 C +ATOM 309 C ARG B 87 12.732 27.748 7.075 1.00 28.97 C +ATOM 310 O ARG B 87 13.825 28.250 7.134 1.00 30.38 O +ATOM 311 CB ARG B 87 11.763 27.229 4.838 1.00 28.62 C +ATOM 312 CG ARG B 87 12.475 28.483 4.314 1.00 31.76 C +ATOM 313 CD ARG B 87 12.022 28.919 2.893 1.00 30.68 C +ATOM 314 NE ARG B 87 13.217 29.305 2.122 1.00 34.97 N +ATOM 315 CZ ARG B 87 13.282 29.470 0.786 1.00 37.62 C +ATOM 316 NH1 ARG B 87 12.208 29.278 0.006 1.00 34.77 N +ATOM 317 NH2 ARG B 87 14.441 29.836 0.220 1.00 37.40 N +ATOM 318 N GLU B 88 11.767 28.101 7.899 1.00 29.18 N +ATOM 319 CA GLU B 88 11.900 29.161 8.931 1.00 31.46 C +ATOM 320 C GLU B 88 12.777 28.737 10.138 1.00 31.10 C +ATOM 321 O GLU B 88 13.620 29.546 10.629 1.00 30.25 O +ATOM 322 CB GLU B 88 10.492 29.557 9.381 1.00 29.89 C +ATOM 323 CG GLU B 88 9.666 30.268 8.252 1.00 35.38 C +ATOM 324 CD GLU B 88 8.132 30.404 8.571 1.00 37.19 C +ATOM 325 OE1 GLU B 88 7.758 30.530 9.768 1.00 42.26 O +ATOM 326 OE2 GLU B 88 7.283 30.366 7.630 1.00 44.77 O +ATOM 327 N GLU B 89 12.607 27.474 10.581 1.00 29.99 N +ATOM 328 CA GLU B 89 13.408 26.884 11.652 1.00 30.82 C +ATOM 329 C GLU B 89 14.837 26.890 11.199 1.00 30.02 C +ATOM 330 O GLU B 89 15.708 27.317 11.904 1.00 29.43 O +ATOM 331 CB GLU B 89 12.997 25.435 11.904 1.00 31.39 C +ATOM 332 CG GLU B 89 13.824 24.710 12.972 1.00 36.45 C +ATOM 333 CD GLU B 89 13.217 24.836 14.378 1.00 45.83 C +ATOM 334 OE1 GLU B 89 13.441 23.937 15.264 1.00 48.35 O +ATOM 335 OE2 GLU B 89 12.505 25.845 14.601 1.00 47.81 O +ATOM 336 N LYS B 90 15.071 26.441 9.977 1.00 30.08 N +ATOM 337 CA LYS B 90 16.414 26.407 9.434 1.00 30.15 C +ATOM 338 C LYS B 90 17.039 27.820 9.328 1.00 29.31 C +ATOM 339 O LYS B 90 18.159 28.046 9.693 1.00 31.92 O +ATOM 340 CB LYS B 90 16.345 25.842 8.034 1.00 29.56 C +ATOM 341 CG LYS B 90 17.745 25.653 7.516 1.00 35.15 C +ATOM 342 CD LYS B 90 17.763 24.951 6.186 1.00 34.49 C +ATOM 343 CE LYS B 90 19.172 24.408 5.989 1.00 37.71 C +ATOM 344 NZ LYS B 90 19.261 23.829 4.586 1.00 39.55 N +ATOM 345 N GLU B 91 16.336 28.770 8.781 1.00 28.14 N +ATOM 346 CA GLU B 91 16.834 30.175 8.781 1.00 28.03 C +ATOM 347 C GLU B 91 17.120 30.623 10.202 1.00 27.48 C +ATOM 348 O GLU B 91 18.147 31.252 10.444 1.00 26.84 O +ATOM 349 CB GLU B 91 15.773 31.086 8.187 1.00 26.18 C +ATOM 350 CG GLU B 91 15.391 30.658 6.800 1.00 27.88 C +ATOM 351 CD GLU B 91 14.260 31.453 6.149 1.00 33.10 C +ATOM 352 OE1 GLU B 91 13.558 32.271 6.776 1.00 34.20 O +ATOM 353 OE2 GLU B 91 14.034 31.235 4.954 1.00 39.23 O +ATOM 354 N PHE B 92 16.223 30.278 11.141 1.00 27.93 N +ATOM 355 CA PHE B 92 16.477 30.584 12.552 1.00 29.26 C +ATOM 356 C PHE B 92 17.737 29.988 13.071 1.00 30.20 C +ATOM 357 O PHE B 92 18.582 30.700 13.604 1.00 32.18 O +ATOM 358 CB PHE B 92 15.301 30.237 13.414 1.00 29.09 C +ATOM 359 CG PHE B 92 15.524 30.479 14.874 1.00 34.42 C +ATOM 360 CD1 PHE B 92 15.093 31.678 15.472 1.00 29.65 C +ATOM 361 CD2 PHE B 92 16.070 29.439 15.701 1.00 35.96 C +ATOM 362 CE1 PHE B 92 15.233 31.868 16.872 1.00 33.79 C +ATOM 363 CE2 PHE B 92 16.238 29.634 17.077 1.00 37.07 C +ATOM 364 CZ PHE B 92 15.820 30.866 17.680 1.00 31.59 C +ATOM 365 N LEU B 93 17.941 28.686 12.856 1.00 32.24 N +ATOM 366 CA LEU B 93 19.110 28.013 13.402 1.00 32.07 C +ATOM 367 C LEU B 93 20.424 28.409 12.682 1.00 34.53 C +ATOM 368 O LEU B 93 21.497 28.568 13.319 1.00 35.70 O +ATOM 369 CB LEU B 93 18.846 26.513 13.322 1.00 31.80 C +ATOM 370 CG LEU B 93 17.849 26.036 14.397 1.00 32.20 C +ATOM 371 CD1 LEU B 93 17.622 24.533 14.322 1.00 28.96 C +ATOM 372 CD2 LEU B 93 18.365 26.401 15.869 1.00 29.54 C +ATOM 373 N MET B 94 20.392 28.544 11.356 1.00 33.82 N +ATOM 374 CA MET B 94 21.561 29.135 10.677 1.00 36.07 C +ATOM 375 C MET B 94 21.935 30.539 11.200 1.00 34.38 C +ATOM 376 O MET B 94 23.110 30.883 11.320 1.00 34.10 O +ATOM 377 CB MET B 94 21.322 29.161 9.184 1.00 33.59 C +ATOM 378 CG MET B 94 21.553 27.792 8.527 1.00 36.32 C +ATOM 379 SD MET B 94 21.252 27.942 6.774 1.00 47.42 S +ATOM 380 CE MET B 94 19.499 28.362 6.646 1.00 48.65 C +ATOM 381 N CYS B 95 20.956 31.354 11.537 1.00 34.64 N +ATOM 382 CA CYS B 95 21.244 32.648 12.168 1.00 35.08 C +ATOM 383 C CYS B 95 21.934 32.489 13.561 1.00 35.70 C +ATOM 384 O CYS B 95 23.071 32.936 13.739 1.00 36.62 O +ATOM 385 CB CYS B 95 19.968 33.473 12.252 1.00 33.83 C +ATOM 386 SG CYS B 95 20.179 35.161 12.977 1.00 37.51 S +ATOM 387 N LYS B 96 21.296 31.785 14.495 1.00 35.62 N +ATOM 388 CA LYS B 96 21.871 31.528 15.826 1.00 35.57 C +ATOM 389 C LYS B 96 23.249 30.977 15.770 1.00 35.66 C +ATOM 390 O LYS B 96 24.166 31.389 16.533 1.00 36.92 O +ATOM 391 CB LYS B 96 21.030 30.475 16.548 1.00 34.50 C +ATOM 392 CG LYS B 96 19.644 30.971 16.792 1.00 36.02 C +ATOM 393 CD LYS B 96 19.705 32.260 17.550 1.00 38.71 C +ATOM 394 CE LYS B 96 18.705 33.231 17.040 1.00 42.21 C +ATOM 395 NZ LYS B 96 18.352 33.987 18.234 1.00 37.29 N +ATOM 396 N PHE B 97 23.416 29.998 14.906 1.00 34.47 N +ATOM 397 CA PHE B 97 24.682 29.344 14.837 1.00 34.36 C +ATOM 398 C PHE B 97 25.798 30.193 14.143 1.00 35.53 C +ATOM 399 O PHE B 97 27.007 30.082 14.551 1.00 34.50 O +ATOM 400 CB PHE B 97 24.483 27.937 14.325 1.00 35.86 C +ATOM 401 CG PHE B 97 23.939 26.930 15.424 1.00 35.95 C +ATOM 402 CD1 PHE B 97 22.799 26.175 15.198 1.00 31.31 C +ATOM 403 CD2 PHE B 97 24.586 26.782 16.647 1.00 35.41 C +ATOM 404 CE1 PHE B 97 22.336 25.239 16.145 1.00 32.95 C +ATOM 405 CE2 PHE B 97 24.132 25.868 17.613 1.00 35.97 C +ATOM 406 CZ PHE B 97 22.998 25.087 17.372 1.00 33.39 C +ATOM 407 N GLN B 98 25.397 31.121 13.252 1.00 33.24 N +ATOM 408 CA GLN B 98 26.313 32.208 12.799 1.00 35.19 C +ATOM 409 C GLN B 98 26.647 33.311 13.802 1.00 34.21 C +ATOM 410 O GLN B 98 27.747 33.802 13.836 1.00 35.04 O +ATOM 411 CB GLN B 98 25.876 32.820 11.431 1.00 35.03 C +ATOM 412 CG GLN B 98 25.564 31.725 10.407 1.00 36.60 C +ATOM 413 CD GLN B 98 26.252 31.950 9.136 1.00 44.14 C +ATOM 414 OE1 GLN B 98 27.502 32.017 9.155 1.00 47.50 O +ATOM 415 NE2 GLN B 98 25.476 32.033 7.960 1.00 37.24 N +ATOM 416 N GLU B 99 25.693 33.701 14.620 1.00 35.60 N +ATOM 417 CA GLU B 99 25.919 34.590 15.772 1.00 36.89 C +ATOM 418 C GLU B 99 26.832 33.884 16.814 1.00 35.96 C +ATOM 419 O GLU B 99 27.743 34.480 17.333 1.00 36.05 O +ATOM 420 CB GLU B 99 24.538 34.963 16.394 1.00 36.34 C +ATOM 421 CG GLU B 99 23.891 36.135 15.627 1.00 41.73 C +ATOM 422 CD GLU B 99 22.391 36.337 15.898 1.00 41.47 C +ATOM 423 OE1 GLU B 99 21.821 37.355 15.425 1.00 49.54 O +ATOM 424 OE2 GLU B 99 21.774 35.517 16.577 1.00 45.62 O +ATOM 425 N ALA B 100 26.579 32.618 17.101 1.00 34.19 N +ATOM 426 CA ALA B 100 27.449 31.893 18.013 1.00 34.48 C +ATOM 427 C ALA B 100 28.881 31.829 17.523 1.00 34.40 C +ATOM 428 O ALA B 100 29.830 32.067 18.299 1.00 34.84 O +ATOM 429 CB ALA B 100 26.895 30.497 18.288 1.00 33.07 C +ATOM 430 N ARG B 101 29.059 31.539 16.240 1.00 34.64 N +ATOM 431 CA AARG B 101 30.388 31.537 15.624 0.50 34.86 C +ATOM 432 CA BARG B 101 30.403 31.528 15.656 0.50 35.05 C +ATOM 433 C ARG B 101 31.096 32.881 15.783 1.00 35.18 C +ATOM 434 O ARG B 101 32.257 32.936 16.182 1.00 34.34 O +ATOM 435 CB AARG B 101 30.281 31.170 14.143 0.50 34.31 C +ATOM 436 CB BARG B 101 30.369 31.081 14.194 0.50 34.72 C +ATOM 437 CG AARG B 101 31.603 31.016 13.438 0.50 34.98 C +ATOM 438 CG BARG B 101 31.735 30.963 13.534 0.50 36.46 C +ATOM 439 CD AARG B 101 31.420 30.366 12.037 0.50 35.07 C +ATOM 440 CD BARG B 101 31.599 30.878 12.009 0.50 39.47 C +ATOM 441 NE AARG B 101 32.715 30.274 11.366 0.50 35.80 N +ATOM 442 NE BARG B 101 30.460 31.679 11.577 0.50 41.29 N +ATOM 443 CZ AARG B 101 33.018 29.412 10.390 0.50 35.83 C +ATOM 444 CZ BARG B 101 30.384 32.357 10.442 0.50 43.01 C +ATOM 445 NH1AARG B 101 32.119 28.540 9.937 0.50 36.02 N +ATOM 446 NH1BARG B 101 31.392 32.346 9.571 0.50 44.05 N +ATOM 447 NH2AARG B 101 34.230 29.429 9.859 0.50 33.37 N +ATOM 448 NH2BARG B 101 29.281 33.045 10.186 0.50 43.45 N +ATOM 449 N LYS B 102 30.385 33.976 15.452 1.00 36.29 N +ATOM 450 CA LYS B 102 31.000 35.318 15.537 1.00 37.01 C +ATOM 451 C LYS B 102 31.283 35.725 17.009 1.00 36.88 C +ATOM 452 O LYS B 102 32.208 36.481 17.278 1.00 36.81 O +ATOM 453 CB LYS B 102 30.208 36.376 14.722 1.00 37.34 C +ATOM 454 CG LYS B 102 29.970 35.946 13.237 1.00 39.79 C +ATOM 455 CD LYS B 102 29.009 36.812 12.363 1.00 39.65 C +ATOM 456 CE LYS B 102 29.786 37.824 11.454 1.00 42.63 C +ATOM 457 NZ LYS B 102 29.037 38.536 10.309 1.00 42.37 N +ATOM 458 N LEU B 103 30.526 35.180 17.961 1.00 36.66 N +ATOM 459 CA LEU B 103 30.710 35.527 19.350 1.00 36.37 C +ATOM 460 C LEU B 103 31.917 34.764 19.927 1.00 36.58 C +ATOM 461 O LEU B 103 32.717 35.325 20.638 1.00 36.03 O +ATOM 462 CB LEU B 103 29.421 35.309 20.139 1.00 36.02 C +ATOM 463 CG LEU B 103 29.538 35.421 21.665 1.00 36.10 C +ATOM 464 CD1 LEU B 103 29.892 36.840 22.158 1.00 33.14 C +ATOM 465 CD2 LEU B 103 28.243 34.982 22.248 1.00 37.18 C +ATOM 466 N VAL B 104 32.058 33.490 19.571 1.00 36.62 N +ATOM 467 CA VAL B 104 33.305 32.772 19.750 1.00 36.63 C +ATOM 468 C VAL B 104 34.537 33.472 19.100 1.00 38.31 C +ATOM 469 O VAL B 104 35.566 33.697 19.761 1.00 37.88 O +ATOM 470 CB VAL B 104 33.154 31.340 19.256 1.00 36.23 C +ATOM 471 CG1 VAL B 104 34.495 30.629 19.195 1.00 35.54 C +ATOM 472 CG2 VAL B 104 32.185 30.575 20.158 1.00 35.67 C +ATOM 473 N GLU B 105 34.468 33.770 17.809 1.00 39.39 N +ATOM 474 CA GLU B 105 35.578 34.450 17.164 1.00 40.80 C +ATOM 475 C GLU B 105 35.938 35.653 18.020 1.00 41.91 C +ATOM 476 O GLU B 105 37.085 35.808 18.421 1.00 42.35 O +ATOM 477 CB GLU B 105 35.204 34.884 15.748 1.00 40.76 C +ATOM 478 N ARG B 106 34.922 36.442 18.370 1.00 43.25 N +ATOM 479 CA ARG B 106 35.085 37.723 19.047 1.00 44.44 C +ATOM 480 C ARG B 106 35.711 37.689 20.427 1.00 45.03 C +ATOM 481 O ARG B 106 36.274 38.687 20.870 1.00 45.26 O +ATOM 482 CB ARG B 106 33.757 38.469 19.130 1.00 44.29 C +ATOM 483 CG ARG B 106 33.955 39.980 19.080 1.00 46.24 C +ATOM 484 CD ARG B 106 33.110 40.682 20.097 1.00 48.16 C +ATOM 485 NE ARG B 106 31.691 40.454 19.852 1.00 50.80 N +ATOM 486 CZ ARG B 106 30.726 40.809 20.699 1.00 53.22 C +ATOM 487 NH1 ARG B 106 31.041 41.419 21.849 1.00 53.48 N +ATOM 488 NH2 ARG B 106 29.448 40.553 20.400 1.00 52.37 N +ATOM 489 N LEU B 107 35.606 36.547 21.096 1.00 45.99 N +ATOM 490 CA LEU B 107 36.143 36.374 22.437 1.00 46.87 C +ATOM 491 C LEU B 107 37.633 36.043 22.435 1.00 48.55 C +ATOM 492 O LEU B 107 38.391 36.642 23.207 1.00 49.18 O +ATOM 493 CB LEU B 107 35.329 35.345 23.243 1.00 46.21 C +ATOM 494 CG LEU B 107 33.863 35.738 23.497 1.00 44.20 C +ATOM 495 CD1 LEU B 107 33.103 34.705 24.280 1.00 42.78 C +ATOM 496 CD2 LEU B 107 33.733 37.072 24.184 1.00 43.48 C +ATOM 497 N GLY B 108 38.063 35.125 21.568 1.00 50.18 N +ATOM 498 CA GLY B 108 39.483 34.749 21.474 1.00 52.03 C +ATOM 499 C GLY B 108 40.453 35.930 21.525 1.00 53.54 C +ATOM 500 O GLY B 108 41.580 35.822 22.069 1.00 53.36 O +ATOM 501 N LEU B 109 40.005 37.062 20.965 1.00 54.73 N +ATOM 502 CA LEU B 109 40.801 38.303 20.916 1.00 55.63 C +ATOM 503 C LEU B 109 40.896 38.935 22.316 1.00 55.73 C +ATOM 504 O LEU B 109 41.963 38.936 22.956 1.00 55.47 O +ATOM 505 CB LEU B 109 40.201 39.299 19.902 1.00 55.75 C +ATOM 506 CG LEU B 109 39.449 38.800 18.649 1.00 57.32 C +ATOM 507 CD1 LEU B 109 38.683 39.964 17.971 1.00 58.21 C +ATOM 508 CD2 LEU B 109 40.352 38.069 17.629 1.00 57.97 C +ATOM 510 N PRO C 701 -23.009 20.773 -7.746 1.00 80.66 N +ATOM 511 CA PRO C 701 -23.117 19.886 -8.916 1.00 80.63 C +ATOM 512 C PRO C 701 -22.102 18.726 -8.910 1.00 80.34 C +ATOM 513 O PRO C 701 -20.887 18.943 -8.822 1.00 80.22 O +ATOM 514 CB PRO C 701 -22.886 20.841 -10.094 1.00 80.66 C +ATOM 515 CG PRO C 701 -23.464 22.160 -9.600 1.00 80.77 C +ATOM 516 CD PRO C 701 -23.363 22.168 -8.072 1.00 80.79 C +ATOM 517 N ALA C 702 -22.617 17.499 -8.982 1.00 80.34 N +ATOM 518 CA ALA C 702 -21.799 16.282 -8.896 1.00 80.11 C +ATOM 519 C ALA C 702 -20.812 16.195 -10.054 1.00 79.90 C +ATOM 520 O ALA C 702 -21.217 16.210 -11.219 1.00 79.53 O +ATOM 521 CB ALA C 702 -22.689 15.038 -8.865 1.00 80.30 C +ATOM 522 N LYS C 703 -19.520 16.110 -9.720 1.00 79.59 N +ATOM 523 CA LYS C 703 -18.445 16.075 -10.723 1.00 79.11 C +ATOM 524 C LYS C 703 -18.629 14.923 -11.727 1.00 78.59 C +ATOM 525 O LYS C 703 -19.154 13.857 -11.373 1.00 78.57 O +ATOM 526 CB LYS C 703 -17.067 16.050 -10.030 1.00 78.97 C +ATOM 527 N LYS C 704 -18.249 15.139 -12.985 1.00 78.49 N +ATOM 528 CA LYS C 704 -18.214 14.035 -13.967 1.00 78.28 C +ATOM 529 C LYS C 704 -17.045 13.037 -13.670 1.00 79.56 C +ATOM 530 O LYS C 704 -16.091 13.443 -13.002 1.00 77.02 O +ATOM 531 CB LYS C 704 -18.102 14.628 -15.379 1.00 79.51 C +ATOM 532 N SER C 705 -17.133 11.758 -14.132 1.00 81.81 N +ATOM 533 CA SER C 705 -16.035 10.740 -13.964 1.00 82.82 C +ATOM 534 C SER C 705 -14.644 11.353 -14.400 1.00 80.99 C +ATOM 535 O SER C 705 -13.485 11.366 -13.499 1.00 85.03 O +ATOM 536 CB SER C 705 -16.299 9.431 -14.791 1.00 84.31 C +ATOM 537 OG SER C 705 -14.936 9.004 -15.077 1.00 93.98 O +ATOM 538 N GLU C 706 -14.774 11.884 -15.775 1.00 76.29 N +ATOM 539 CA GLU C 706 -13.519 12.616 -16.266 1.00 68.90 C +ATOM 540 C GLU C 706 -12.887 13.591 -15.254 1.00 61.95 C +ATOM 541 O GLU C 706 -11.658 13.630 -15.089 1.00 59.75 O +ATOM 542 CB GLU C 706 -13.783 13.414 -17.568 1.00 68.65 C +ATOM 543 CG GLU C 706 -14.394 12.613 -18.712 1.00 69.81 C +ATOM 544 CD GLU C 706 -15.934 12.611 -18.691 1.00 70.55 C +ATOM 545 OE1 GLU C 706 -16.528 12.455 -17.592 1.00 71.35 O +ATOM 546 OE2 GLU C 706 -16.553 12.763 -19.779 1.00 70.01 O +ATOM 547 N GLU C 707 -13.742 14.393 -14.622 1.00 54.74 N +ATOM 548 CA GLU C 707 -13.339 15.486 -13.732 1.00 48.07 C +ATOM 549 C GLU C 707 -12.704 14.962 -12.460 1.00 43.21 C +ATOM 550 O GLU C 707 -11.651 15.425 -12.069 1.00 40.61 O +ATOM 551 CB GLU C 707 -14.521 16.408 -13.418 1.00 48.31 C +ATOM 552 CG GLU C 707 -14.974 17.243 -14.619 1.00 47.68 C +ATOM 553 CD GLU C 707 -16.296 17.984 -14.385 1.00 48.67 C +ATOM 554 OE1 GLU C 707 -17.290 17.366 -13.921 1.00 50.32 O +ATOM 555 OE2 GLU C 707 -16.355 19.191 -14.694 1.00 47.97 O +ATOM 556 N LEU C 708 -13.342 13.966 -11.851 1.00 39.21 N +ATOM 557 CA LEU C 708 -12.762 13.188 -10.749 1.00 35.80 C +ATOM 558 C LEU C 708 -11.404 12.550 -11.071 1.00 33.26 C +ATOM 559 O LEU C 708 -10.527 12.507 -10.248 1.00 33.79 O +ATOM 560 CB LEU C 708 -13.740 12.096 -10.316 1.00 34.33 C +ATOM 561 CG LEU C 708 -15.013 12.552 -9.643 1.00 36.48 C +ATOM 562 CD1 LEU C 708 -15.825 11.321 -9.312 1.00 37.75 C +ATOM 563 CD2 LEU C 708 -14.754 13.408 -8.361 1.00 35.89 C +ATOM 564 N VAL C 709 -11.261 12.014 -12.269 1.00 30.47 N +ATOM 565 CA VAL C 709 -10.042 11.331 -12.663 1.00 27.73 C +ATOM 566 C VAL C 709 -8.933 12.369 -12.830 1.00 27.53 C +ATOM 567 O VAL C 709 -7.770 12.152 -12.365 1.00 28.56 O +ATOM 568 CB VAL C 709 -10.293 10.422 -13.921 1.00 27.50 C +ATOM 569 CG1 VAL C 709 -8.993 10.004 -14.667 1.00 25.86 C +ATOM 570 CG2 VAL C 709 -11.046 9.158 -13.517 1.00 26.35 C +ATOM 571 N ALA C 710 -9.267 13.501 -13.445 1.00 24.63 N +ATOM 572 CA ALA C 710 -8.308 14.541 -13.581 1.00 24.84 C +ATOM 573 C ALA C 710 -7.914 15.196 -12.254 1.00 24.38 C +ATOM 574 O ALA C 710 -6.739 15.483 -12.103 1.00 24.65 O +ATOM 575 CB ALA C 710 -8.770 15.610 -14.601 1.00 25.71 C +ATOM 576 N GLU C 711 -8.839 15.463 -11.314 1.00 24.85 N +ATOM 577 CA GLU C 711 -8.451 16.063 -9.983 1.00 24.85 C +ATOM 578 C GLU C 711 -7.472 15.104 -9.317 1.00 24.74 C +ATOM 579 O GLU C 711 -6.409 15.458 -8.864 1.00 25.96 O +ATOM 580 CB GLU C 711 -9.675 16.276 -9.072 1.00 24.79 C +ATOM 581 N ALA C 712 -7.809 13.841 -9.297 1.00 25.13 N +ATOM 582 CA ALA C 712 -6.930 12.823 -8.632 1.00 26.35 C +ATOM 583 C ALA C 712 -5.510 12.822 -9.227 1.00 26.31 C +ATOM 584 O ALA C 712 -4.496 12.708 -8.507 1.00 26.50 O +ATOM 585 CB ALA C 712 -7.567 11.375 -8.772 1.00 23.04 C +ATOM 586 N HIS C 713 -5.425 12.930 -10.555 1.00 24.68 N +ATOM 587 CA HIS C 713 -4.107 13.041 -11.179 1.00 21.68 C +ATOM 588 C HIS C 713 -3.372 14.300 -10.751 1.00 20.41 C +ATOM 589 O HIS C 713 -2.138 14.275 -10.446 1.00 18.00 O +ATOM 590 CB HIS C 713 -4.240 13.036 -12.675 1.00 21.67 C +ATOM 591 CG HIS C 713 -2.919 13.097 -13.367 1.00 25.55 C +ATOM 592 ND1 HIS C 713 -2.638 14.012 -14.354 1.00 27.24 N +ATOM 593 CD2 HIS C 713 -1.801 12.343 -13.227 1.00 29.08 C +ATOM 594 CE1 HIS C 713 -1.410 13.820 -14.804 1.00 26.20 C +ATOM 595 NE2 HIS C 713 -0.876 12.817 -14.133 1.00 29.72 N +ATOM 596 N ASN C 714 -4.137 15.392 -10.693 1.00 19.46 N +ATOM 597 CA ASN C 714 -3.593 16.706 -10.250 1.00 19.92 C +ATOM 598 C ASN C 714 -3.080 16.643 -8.852 1.00 22.57 C +ATOM 599 O ASN C 714 -2.021 17.116 -8.567 1.00 20.34 O +ATOM 600 CB ASN C 714 -4.695 17.763 -10.324 1.00 18.32 C +ATOM 601 CG ASN C 714 -5.073 18.092 -11.746 1.00 14.95 C +ATOM 602 OD1 ASN C 714 -4.263 17.942 -12.630 1.00 9.14 O +ATOM 603 ND2 ASN C 714 -6.272 18.583 -11.960 1.00 9.99 N +ATOM 604 N LEU C 715 -3.874 16.038 -7.955 1.00 28.66 N +ATOM 605 CA LEU C 715 -3.582 16.072 -6.523 1.00 30.79 C +ATOM 606 C LEU C 715 -2.415 15.089 -6.238 1.00 31.35 C +ATOM 607 O LEU C 715 -1.495 15.384 -5.499 1.00 31.55 O +ATOM 608 CB LEU C 715 -4.854 15.674 -5.781 1.00 31.76 C +ATOM 609 CG LEU C 715 -5.897 16.754 -5.887 1.00 32.08 C +ATOM 610 CD1 LEU C 715 -7.106 16.165 -5.236 1.00 32.14 C +ATOM 611 CD2 LEU C 715 -5.438 18.012 -5.046 1.00 30.32 C +ATOM 612 N CYS C 716 -2.399 13.969 -6.931 1.00 33.55 N +ATOM 613 CA CYS C 716 -1.233 13.036 -6.899 1.00 35.07 C +ATOM 614 C CYS C 716 0.149 13.625 -7.241 1.00 34.06 C +ATOM 615 O CYS C 716 1.140 13.315 -6.542 1.00 34.73 O +ATOM 616 CB CYS C 716 -1.447 11.921 -7.914 1.00 36.18 C +ATOM 617 SG CYS C 716 -2.303 10.657 -7.256 1.00 46.43 S +ATOM 618 N THR C 717 0.229 14.326 -8.375 1.00 32.24 N +ATOM 619 CA THR C 717 1.437 15.039 -8.820 1.00 32.50 C +ATOM 620 C THR C 717 1.826 16.116 -7.784 1.00 33.52 C +ATOM 621 O THR C 717 2.997 16.244 -7.387 1.00 34.98 O +ATOM 622 CB THR C 717 1.172 15.760 -10.193 1.00 34.22 C +ATOM 623 OG1 THR C 717 0.567 14.836 -11.115 1.00 33.12 O +ATOM 624 CG2 THR C 717 2.501 16.429 -10.815 1.00 30.40 C +ATOM 625 N LEU C 718 0.855 16.903 -7.354 1.00 33.35 N +ATOM 626 CA LEU C 718 1.060 17.915 -6.283 1.00 33.70 C +ATOM 627 C LEU C 718 1.630 17.254 -5.008 1.00 33.25 C +ATOM 628 O LEU C 718 2.637 17.720 -4.513 1.00 33.61 O +ATOM 629 CB LEU C 718 -0.227 18.746 -6.061 1.00 33.73 C +ATOM 630 CG LEU C 718 -0.808 19.272 -7.450 1.00 39.48 C +ATOM 631 CD1 LEU C 718 -1.970 20.240 -7.360 1.00 40.37 C +ATOM 632 CD2 LEU C 718 0.218 19.690 -8.577 1.00 37.56 C +ATOM 633 N LEU C 719 1.056 16.129 -4.548 1.00 32.27 N +ATOM 634 CA LEU C 719 1.618 15.354 -3.426 1.00 31.98 C +ATOM 635 C LEU C 719 3.030 14.810 -3.649 1.00 31.88 C +ATOM 636 O LEU C 719 3.865 14.955 -2.799 1.00 30.46 O +ATOM 637 CB LEU C 719 0.703 14.143 -3.064 1.00 33.70 C +ATOM 638 CG LEU C 719 1.135 13.381 -1.787 1.00 29.81 C +ATOM 639 CD1 LEU C 719 0.734 14.103 -0.522 1.00 26.26 C +ATOM 640 CD2 LEU C 719 0.581 11.943 -1.825 1.00 30.50 C +ATOM 641 N GLU C 720 3.315 14.206 -4.805 1.00 33.01 N +ATOM 642 CA GLU C 720 4.669 13.728 -5.081 1.00 33.65 C +ATOM 643 C GLU C 720 5.640 14.825 -4.937 1.00 32.45 C +ATOM 644 O GLU C 720 6.676 14.663 -4.336 1.00 34.11 O +ATOM 645 CB GLU C 720 4.853 13.238 -6.539 1.00 33.53 C +ATOM 646 CG GLU C 720 4.357 11.895 -6.874 1.00 36.51 C +ATOM 647 CD GLU C 720 4.823 11.475 -8.292 1.00 37.90 C +ATOM 648 OE1 GLU C 720 4.511 12.236 -9.265 1.00 40.82 O +ATOM 649 OE2 GLU C 720 5.492 10.404 -8.422 1.00 33.69 O +ATOM 650 N ASN C 721 5.378 15.907 -5.630 1.00 32.01 N +ATOM 651 CA ASN C 721 6.353 16.964 -5.713 1.00 32.35 C +ATOM 652 C ASN C 721 6.512 17.622 -4.331 1.00 32.36 C +ATOM 653 O ASN C 721 7.590 18.092 -4.009 1.00 32.13 O +ATOM 654 CB ASN C 721 5.928 17.996 -6.786 1.00 32.25 C +ATOM 655 CG ASN C 721 6.316 17.541 -8.217 1.00 32.50 C +ATOM 656 OD1 ASN C 721 7.491 17.327 -8.510 1.00 31.15 O +ATOM 657 ND2 ASN C 721 5.334 17.369 -9.073 1.00 29.76 N +ATOM 658 N ALA C 722 5.426 17.664 -3.562 1.00 31.59 N +ATOM 659 CA ALA C 722 5.427 18.291 -2.249 1.00 33.82 C +ATOM 660 C ALA C 722 6.242 17.384 -1.380 1.00 34.52 C +ATOM 661 O ALA C 722 7.037 17.852 -0.624 1.00 35.85 O +ATOM 662 CB ALA C 722 3.991 18.491 -1.708 1.00 32.61 C +ATOM 663 N ILE C 723 6.112 16.080 -1.551 1.00 35.01 N +ATOM 664 CA ILE C 723 6.931 15.178 -0.788 1.00 35.90 C +ATOM 665 C ILE C 723 8.364 15.176 -1.221 1.00 36.36 C +ATOM 666 O ILE C 723 9.236 15.199 -0.353 1.00 37.65 O +ATOM 667 CB ILE C 723 6.358 13.695 -0.711 1.00 36.69 C +ATOM 668 CG1 ILE C 723 5.156 13.637 0.246 1.00 37.64 C +ATOM 669 CG2 ILE C 723 7.443 12.707 -0.199 1.00 36.33 C +ATOM 670 CD1 ILE C 723 4.349 12.365 0.225 1.00 36.17 C +ATOM 671 N GLN C 724 8.660 15.099 -2.522 1.00 35.73 N +ATOM 672 CA GLN C 724 10.075 15.001 -2.908 1.00 36.16 C +ATOM 673 C GLN C 724 10.846 16.264 -2.486 1.00 36.52 C +ATOM 674 O GLN C 724 12.013 16.180 -2.128 1.00 36.48 O +ATOM 675 CB GLN C 724 10.290 14.709 -4.425 1.00 35.99 C +ATOM 676 N ASP C 725 10.215 17.428 -2.591 1.00 37.49 N +ATOM 677 CA ASP C 725 10.856 18.702 -2.210 1.00 39.38 C +ATOM 678 C ASP C 725 11.182 18.777 -0.707 1.00 39.31 C +ATOM 679 O ASP C 725 12.231 19.308 -0.327 1.00 39.08 O +ATOM 680 CB ASP C 725 9.967 19.880 -2.614 1.00 40.02 C +ATOM 681 CG ASP C 725 9.767 19.964 -4.131 1.00 44.17 C +ATOM 682 OD1 ASP C 725 10.751 19.753 -4.880 1.00 45.19 O +ATOM 683 OD2 ASP C 725 8.626 20.242 -4.574 1.00 49.53 O +ATOM 684 N THR C 726 10.266 18.252 0.115 1.00 39.45 N +ATOM 685 CA THR C 726 10.444 18.107 1.568 1.00 40.10 C +ATOM 686 C THR C 726 11.634 17.241 1.890 1.00 40.34 C +ATOM 687 O THR C 726 12.535 17.695 2.606 1.00 41.50 O +ATOM 688 CB THR C 726 9.182 17.500 2.237 1.00 40.18 C +ATOM 689 OG1 THR C 726 8.024 18.201 1.771 1.00 39.32 O +ATOM 690 CG2 THR C 726 9.272 17.618 3.741 1.00 40.41 C +ATOM 691 N VAL C 727 11.634 16.003 1.387 1.00 40.42 N +ATOM 692 CA VAL C 727 12.818 15.119 1.404 1.00 41.11 C +ATOM 693 C VAL C 727 14.139 15.776 0.891 1.00 41.60 C +ATOM 694 O VAL C 727 15.180 15.708 1.550 1.00 41.64 O +ATOM 695 CB VAL C 727 13.234 14.310 0.868 0.00 54.92 C +ATOM 696 CG1 VAL C 727 11.896 13.631 0.848 0.00 56.90 C +ATOM 697 CG2 VAL C 727 13.745 14.660 -0.512 0.00 54.87 C +ATOM 698 N ARG C 728 14.094 16.418 -0.268 1.00 42.11 N +ATOM 699 CA ARG C 728 15.292 17.070 -0.853 1.00 43.14 C +ATOM 700 C ARG C 728 15.851 18.246 -0.033 1.00 43.69 C +ATOM 701 O ARG C 728 17.051 18.271 0.290 1.00 43.62 O +ATOM 702 CB ARG C 728 15.034 17.526 -2.300 1.00 42.29 C +ATOM 703 N GLU C 729 14.986 19.222 0.273 1.00 44.78 N +ATOM 704 CA GLU C 729 15.378 20.437 1.015 1.00 45.51 C +ATOM 705 C GLU C 729 16.068 20.131 2.337 1.00 46.16 C +ATOM 706 O GLU C 729 17.168 20.636 2.576 1.00 46.78 O +ATOM 707 CB GLU C 729 14.182 21.367 1.247 1.00 45.69 C +ATOM 708 N GLN C 730 15.464 19.279 3.184 1.00 46.42 N +ATOM 709 CA GLN C 730 16.086 18.915 4.481 1.00 46.26 C +ATOM 710 C GLN C 730 17.435 18.213 4.336 1.00 46.21 C +ATOM 711 O GLN C 730 18.274 18.287 5.241 1.00 46.08 O +ATOM 712 CB GLN C 730 15.164 18.042 5.317 1.00 46.73 C +ATOM 713 N GLY C 731 17.609 17.538 3.195 1.00 46.58 N +ATOM 714 CA GLY C 731 18.856 16.876 2.782 1.00 46.90 C +ATOM 715 C GLY C 731 19.995 17.821 2.430 1.00 47.16 C +ATOM 716 O GLY C 731 21.089 17.368 2.062 1.00 47.88 O +ATOM 717 N ASN C 732 19.740 19.132 2.485 1.00 46.60 N +ATOM 718 CA ASN C 732 20.831 20.092 2.583 1.00 45.91 C +ATOM 719 C ASN C 732 21.001 20.319 4.091 1.00 45.02 C +ATOM 720 O ASN C 732 20.427 21.217 4.690 1.00 45.04 O +ATOM 721 CB ASN C 732 20.567 21.392 1.808 1.00 46.03 C +ATOM 722 CG ASN C 732 21.814 22.319 1.736 1.00 48.87 C +ATOM 723 OD1 ASN C 732 21.754 23.398 1.144 1.00 51.12 O +ATOM 724 ND2 ASN C 732 22.938 21.903 2.353 1.00 52.40 N +ATOM 725 N SER C 733 21.800 19.457 4.682 1.00 44.17 N +ATOM 726 CA SER C 733 21.866 19.294 6.108 1.00 43.82 C +ATOM 727 C SER C 733 22.707 20.399 6.765 1.00 43.02 C +ATOM 728 O SER C 733 23.759 20.822 6.252 1.00 41.26 O +ATOM 729 CB SER C 733 22.455 17.916 6.409 1.00 43.38 C +ATOM 730 OG SER C 733 22.272 17.573 7.775 1.00 45.58 O +ATOM 731 N MET C 734 22.254 20.854 7.925 1.00 42.75 N +ATOM 732 CA MET C 734 23.165 21.651 8.747 1.00 42.22 C +ATOM 733 C MET C 734 24.357 20.823 9.260 1.00 42.52 C +ATOM 734 O MET C 734 25.365 21.376 9.687 1.00 41.73 O +ATOM 735 CB MET C 734 22.401 22.357 9.840 1.00 42.93 C +ATOM 736 CG MET C 734 21.406 23.432 9.296 1.00 40.65 C +ATOM 737 SD MET C 734 20.787 24.479 10.629 1.00 41.88 S +ATOM 738 CE MET C 734 22.395 25.038 11.252 1.00 35.94 C +ATOM 739 N MET C 735 24.287 19.496 9.114 1.00 43.68 N +ATOM 740 CA MET C 735 25.444 18.617 9.397 1.00 45.27 C +ATOM 741 C MET C 735 26.621 18.796 8.407 1.00 45.78 C +ATOM 742 O MET C 735 27.711 18.261 8.621 1.00 46.28 O +ATOM 743 CB MET C 735 25.017 17.136 9.435 1.00 45.34 C +ATOM 744 CG MET C 735 23.819 16.753 10.394 1.00 45.77 C +ATOM 745 SD MET C 735 23.558 14.941 10.649 1.00 47.82 S +ATOM 746 CE MET C 735 23.565 14.326 8.961 1.00 48.57 C +ATOM 747 N ASN C 736 26.408 19.519 7.308 1.00 46.04 N +ATOM 748 CA ASN C 736 27.459 19.682 6.296 1.00 46.97 C +ATOM 749 C ASN C 736 28.213 21.004 6.407 1.00 46.56 C +ATOM 750 O ASN C 736 29.146 21.280 5.669 1.00 45.89 O +ATOM 751 CB ASN C 736 26.892 19.491 4.882 1.00 47.24 C +ATOM 752 CG ASN C 736 26.452 18.052 4.634 1.00 49.95 C +ATOM 753 OD1 ASN C 736 27.116 17.101 5.079 1.00 53.46 O +ATOM 754 ND2 ASN C 736 25.323 17.883 3.943 1.00 50.38 N +ATOM 755 N LEU C 737 27.812 21.807 7.366 1.00 46.16 N +ATOM 756 CA LEU C 737 28.477 23.049 7.609 1.00 46.92 C +ATOM 757 C LEU C 737 29.806 22.824 8.350 1.00 47.35 C +ATOM 758 O LEU C 737 30.079 21.703 8.798 1.00 46.84 O +ATOM 759 CB LEU C 737 27.526 23.949 8.395 1.00 47.12 C +ATOM 760 CG LEU C 737 26.402 24.749 7.706 1.00 46.49 C +ATOM 761 CD1 LEU C 737 26.181 24.539 6.220 1.00 49.41 C +ATOM 762 CD2 LEU C 737 25.145 24.516 8.470 1.00 42.83 C +ATOM 763 N ASP C 738 30.638 23.874 8.425 1.00 48.24 N +ATOM 764 CA ASP C 738 31.902 23.837 9.165 1.00 48.79 C +ATOM 765 C ASP C 738 31.583 24.137 10.631 1.00 48.45 C +ATOM 766 O ASP C 738 31.120 25.237 10.968 1.00 48.16 O +ATOM 767 CB ASP C 738 32.881 24.882 8.630 1.00 49.89 C +ATOM 768 CG ASP C 738 34.303 24.761 9.245 1.00 52.76 C +ATOM 769 OD1 ASP C 738 35.048 23.861 8.803 1.00 56.74 O +ATOM 770 OD2 ASP C 738 34.699 25.583 10.125 1.00 54.51 O +ATOM 771 N TRP C 739 31.814 23.134 11.478 1.00 47.44 N +ATOM 772 CA TRP C 739 31.527 23.222 12.876 1.00 47.35 C +ATOM 773 C TRP C 739 32.810 23.323 13.677 1.00 47.86 C +ATOM 774 O TRP C 739 32.798 23.207 14.892 1.00 48.30 O +ATOM 775 CB TRP C 739 30.725 21.994 13.283 1.00 46.54 C +ATOM 776 CG TRP C 739 29.326 22.087 12.836 1.00 45.95 C +ATOM 777 CD1 TRP C 739 28.736 21.442 11.764 1.00 46.09 C +ATOM 778 CD2 TRP C 739 28.323 22.910 13.412 1.00 45.79 C +ATOM 779 NE1 TRP C 739 27.412 21.829 11.659 1.00 46.01 N +ATOM 780 CE2 TRP C 739 27.133 22.708 12.671 1.00 45.01 C +ATOM 781 CE3 TRP C 739 28.304 23.800 14.509 1.00 47.47 C +ATOM 782 CZ2 TRP C 739 25.947 23.346 12.993 1.00 46.03 C +ATOM 783 CZ3 TRP C 739 27.122 24.456 14.820 1.00 44.60 C +ATOM 784 CH2 TRP C 739 25.961 24.230 14.061 1.00 46.40 C +ATOM 785 N SER C 740 33.920 23.552 12.990 1.00 47.39 N +ATOM 786 CA SER C 740 35.231 23.393 13.594 1.00 46.84 C +ATOM 787 C SER C 740 35.649 24.600 14.393 1.00 46.86 C +ATOM 788 O SER C 740 36.597 24.521 15.150 1.00 47.63 O +ATOM 789 CB SER C 740 36.282 23.066 12.519 1.00 46.42 C +ATOM 790 OG SER C 740 36.445 24.160 11.640 1.00 44.70 O +ATOM 791 N TRP C 741 34.961 25.720 14.216 1.00 47.07 N +ATOM 792 CA TRP C 741 35.082 26.858 15.123 1.00 46.85 C +ATOM 793 C TRP C 741 34.740 26.454 16.579 1.00 48.24 C +ATOM 794 O TRP C 741 35.020 27.201 17.544 1.00 48.13 O +ATOM 795 CB TRP C 741 34.210 28.032 14.659 1.00 45.75 C +ATOM 796 CG TRP C 741 32.761 27.692 14.498 1.00 43.71 C +ATOM 797 CD1 TRP C 741 32.153 27.219 13.372 1.00 41.46 C +ATOM 798 CD2 TRP C 741 31.736 27.757 15.516 1.00 43.68 C +ATOM 799 NE1 TRP C 741 30.820 26.980 13.623 1.00 42.70 N +ATOM 800 CE2 TRP C 741 30.539 27.312 14.930 1.00 42.83 C +ATOM 801 CE3 TRP C 741 31.715 28.167 16.863 1.00 42.03 C +ATOM 802 CZ2 TRP C 741 29.325 27.279 15.641 1.00 45.09 C +ATOM 803 CZ3 TRP C 741 30.501 28.132 17.558 1.00 41.84 C +ATOM 804 CH2 TRP C 741 29.335 27.680 16.953 1.00 42.28 C +ATOM 805 N LEU C 742 34.169 25.260 16.729 1.00 49.54 N +ATOM 806 CA LEU C 742 33.719 24.780 18.020 1.00 51.08 C +ATOM 807 C LEU C 742 34.857 24.073 18.759 1.00 52.74 C +ATOM 808 O LEU C 742 34.745 23.763 19.950 1.00 53.79 O +ATOM 809 CB LEU C 742 32.480 23.888 17.856 1.00 51.02 C +ATOM 810 CG LEU C 742 31.066 24.466 18.067 1.00 50.94 C +ATOM 811 CD1 LEU C 742 30.022 23.416 17.787 1.00 50.38 C +ATOM 812 CD2 LEU C 742 30.871 24.997 19.491 1.00 48.26 C +ATOM 813 N THR C 743 35.952 23.798 18.040 1.00 54.35 N +ATOM 814 CA THR C 743 37.258 23.487 18.668 1.00 54.94 C +ATOM 815 C THR C 743 38.427 23.943 17.773 1.00 55.03 C +ATOM 816 O THR C 743 39.157 24.889 18.108 1.00 54.97 O +ATOM 817 CB THR C 743 37.398 21.990 19.006 1.00 55.37 C +ATOM 818 OG1 THR C 743 36.101 21.377 19.008 1.00 56.25 O +ATOM 819 CG2 THR C 743 38.068 21.807 20.374 1.00 55.62 C Added: SwiftApps/modFTdock/input/3ci9-1.pdb =================================================================== --- SwiftApps/modFTdock/input/3ci9-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/3ci9-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,710 @@ +ATOM 1 N PRO A 6 -2.530 -10.242 -45.699 1.00 58.62 N +ATOM 2 CA PRO A 6 -2.068 -11.607 -45.431 1.00 59.02 C +ATOM 3 C PRO A 6 -2.986 -12.335 -44.456 1.00 58.98 C +ATOM 4 O PRO A 6 -2.591 -13.345 -43.873 1.00 58.54 O +ATOM 5 CB PRO A 6 -0.694 -11.387 -44.795 1.00 58.43 C +ATOM 6 CG PRO A 6 -0.226 -10.095 -45.362 1.00 58.04 C +ATOM 7 CD PRO A 6 -1.457 -9.248 -45.525 1.00 58.15 C +ATOM 8 N LYS A 7 -4.201 -11.823 -44.285 1.00 59.78 N +ATOM 9 CA LYS A 7 -5.048 -12.217 -43.165 1.00 59.16 C +ATOM 10 C LYS A 7 -6.212 -13.084 -43.633 1.00 58.75 C +ATOM 11 O LYS A 7 -6.854 -12.787 -44.640 1.00 58.36 O +ATOM 12 CB LYS A 7 -5.574 -10.983 -42.431 1.00 59.03 C +ATOM 13 CG LYS A 7 -4.795 -10.629 -41.174 1.00 57.90 C +ATOM 14 CD LYS A 7 -4.612 -9.126 -41.042 1.00 57.92 C +ATOM 15 CE LYS A 7 -3.719 -8.780 -39.862 1.00 56.55 C +ATOM 16 NZ LYS A 7 -3.568 -7.308 -39.693 1.00 55.69 N +ATOM 17 N THR A 8 -6.478 -14.157 -42.895 1.00 58.63 N +ATOM 18 CA THR A 8 -7.574 -15.055 -43.220 1.00 58.19 C +ATOM 19 C THR A 8 -8.557 -15.041 -42.059 1.00 58.25 C +ATOM 20 O THR A 8 -8.394 -14.281 -41.099 1.00 56.21 O +ATOM 21 CB THR A 8 -7.091 -16.508 -43.450 1.00 58.52 C +ATOM 22 OG1 THR A 8 -8.224 -17.386 -43.470 1.00 58.47 O +ATOM 23 CG2 THR A 8 -6.130 -16.947 -42.355 1.00 57.53 C +ATOM 24 N VAL A 9 -9.577 -15.883 -42.150 1.00 59.26 N +ATOM 25 CA VAL A 9 -10.582 -15.950 -41.109 1.00 60.87 C +ATOM 26 C VAL A 9 -9.918 -16.222 -39.770 1.00 62.51 C +ATOM 27 O VAL A 9 -10.269 -15.604 -38.761 1.00 63.36 O +ATOM 28 CB VAL A 9 -11.609 -17.053 -41.393 1.00 60.94 C +ATOM 29 CG1 VAL A 9 -12.792 -16.903 -40.453 1.00 60.17 C +ATOM 30 CG2 VAL A 9 -12.066 -16.973 -42.839 1.00 61.38 C +ATOM 31 N GLN A 10 -8.958 -17.146 -39.761 1.00 62.99 N +ATOM 32 CA GLN A 10 -8.246 -17.475 -38.533 1.00 62.50 C +ATOM 33 C GLN A 10 -7.931 -16.163 -37.835 1.00 62.28 C +ATOM 34 O GLN A 10 -8.408 -15.910 -36.723 1.00 63.59 O +ATOM 35 CB GLN A 10 -6.954 -18.234 -38.843 1.00 62.20 C +ATOM 36 CG GLN A 10 -7.182 -19.642 -39.366 1.00 62.68 C +ATOM 37 CD GLN A 10 -5.913 -20.273 -39.902 1.00 64.10 C +ATOM 38 OE1 GLN A 10 -5.263 -19.717 -40.787 1.00 65.48 O +ATOM 39 NE2 GLN A 10 -5.554 -21.440 -39.373 1.00 63.80 N +ATOM 40 N ASP A 11 -7.154 -15.318 -38.506 1.00 60.70 N +ATOM 41 CA ASP A 11 -6.792 -14.023 -37.945 1.00 58.95 C +ATOM 42 C ASP A 11 -7.973 -13.350 -37.263 1.00 56.67 C +ATOM 43 O ASP A 11 -7.839 -12.815 -36.166 1.00 55.93 O +ATOM 44 CB ASP A 11 -6.249 -13.101 -39.035 1.00 59.81 C +ATOM 45 CG ASP A 11 -4.772 -13.294 -39.266 1.00 61.22 C +ATOM 46 OD1 ASP A 11 -4.377 -14.403 -39.686 1.00 61.67 O +ATOM 47 OD2 ASP A 11 -4.007 -12.335 -39.017 1.00 61.28 O +ATOM 48 N LEU A 12 -9.130 -13.389 -37.911 1.00 54.49 N +ATOM 49 CA LEU A 12 -10.315 -12.764 -37.354 1.00 52.79 C +ATOM 50 C LEU A 12 -10.713 -13.380 -36.033 1.00 52.19 C +ATOM 51 O LEU A 12 -11.147 -12.679 -35.120 1.00 52.80 O +ATOM 52 CB LEU A 12 -11.494 -12.876 -38.315 1.00 51.50 C +ATOM 53 CG LEU A 12 -12.790 -12.300 -37.748 1.00 51.07 C +ATOM 54 CD1 LEU A 12 -12.649 -10.796 -37.574 1.00 48.73 C +ATOM 55 CD2 LEU A 12 -13.939 -12.631 -38.676 1.00 51.17 C +ATOM 56 N THR A 13 -10.560 -14.692 -35.925 1.00 51.28 N +ATOM 57 CA THR A 13 -10.953 -15.371 -34.706 1.00 50.90 C +ATOM 58 C THR A 13 -9.901 -15.454 -33.611 1.00 49.74 C +ATOM 59 O THR A 13 -10.176 -15.971 -32.532 1.00 50.33 O +ATOM 60 CB THR A 13 -11.483 -16.758 -35.028 1.00 51.78 C +ATOM 61 OG1 THR A 13 -10.450 -17.539 -35.638 1.00 53.11 O +ATOM 62 CG2 THR A 13 -12.661 -16.631 -35.979 1.00 50.65 C +ATOM 63 N SER A 14 -8.706 -14.946 -33.893 1.00 48.49 N +ATOM 64 CA SER A 14 -7.693 -14.753 -32.862 1.00 47.11 C +ATOM 65 C SER A 14 -7.729 -13.331 -32.313 1.00 46.49 C +ATOM 66 O SER A 14 -7.172 -13.051 -31.251 1.00 46.08 O +ATOM 67 CB SER A 14 -6.301 -15.069 -33.413 1.00 46.54 C +ATOM 68 OG SER A 14 -6.286 -16.323 -34.073 1.00 47.96 O +ATOM 69 N VAL A 15 -8.387 -12.437 -33.043 1.00 44.99 N +ATOM 70 CA VAL A 15 -8.738 -11.124 -32.513 1.00 43.64 C +ATOM 71 C VAL A 15 -9.929 -11.212 -31.566 1.00 43.23 C +ATOM 72 O VAL A 15 -9.981 -10.516 -30.552 1.00 42.50 O +ATOM 73 CB VAL A 15 -9.064 -10.129 -33.642 1.00 43.35 C +ATOM 74 CG1 VAL A 15 -9.710 -8.875 -33.073 1.00 42.98 C +ATOM 75 CG2 VAL A 15 -7.805 -9.782 -34.422 1.00 41.76 C +ATOM 76 N VAL A 16 -10.885 -12.072 -31.903 1.00 42.58 N +ATOM 77 CA VAL A 16 -12.134 -12.157 -31.161 1.00 41.96 C +ATOM 78 C VAL A 16 -11.877 -12.955 -29.900 1.00 43.33 C +ATOM 79 O VAL A 16 -12.578 -12.809 -28.899 1.00 43.92 O +ATOM 80 CB VAL A 16 -13.225 -12.863 -31.982 1.00 39.98 C +ATOM 81 CG1 VAL A 16 -14.502 -12.975 -31.164 1.00 38.55 C +ATOM 82 CG2 VAL A 16 -13.483 -12.092 -33.264 1.00 38.53 C +ATOM 83 N GLN A 17 -10.853 -13.798 -29.964 1.00 44.20 N +ATOM 84 CA GLN A 17 -10.472 -14.646 -28.844 1.00 45.30 C +ATOM 85 C GLN A 17 -9.636 -13.854 -27.840 1.00 44.45 C +ATOM 86 O GLN A 17 -9.703 -14.083 -26.634 1.00 45.00 O +ATOM 87 CB GLN A 17 -9.684 -15.844 -29.367 1.00 46.49 C +ATOM 88 CG GLN A 17 -9.351 -16.869 -28.313 1.00 50.82 C +ATOM 89 CD GLN A 17 -8.818 -18.149 -28.920 1.00 53.57 C +ATOM 90 OE1 GLN A 17 -7.874 -18.124 -29.715 1.00 56.33 O +ATOM 91 NE2 GLN A 17 -9.418 -19.278 -28.551 1.00 53.12 N +ATOM 92 N THR A 18 -8.843 -12.925 -28.357 1.00 42.99 N +ATOM 93 CA THR A 18 -8.009 -12.074 -27.532 1.00 40.92 C +ATOM 94 C THR A 18 -8.936 -11.124 -26.799 1.00 40.71 C +ATOM 95 O THR A 18 -8.816 -10.923 -25.591 1.00 40.86 O +ATOM 96 CB THR A 18 -7.026 -11.263 -28.404 1.00 40.56 C +ATOM 97 OG1 THR A 18 -5.950 -12.112 -28.808 1.00 39.97 O +ATOM 98 CG2 THR A 18 -6.470 -10.062 -27.648 1.00 40.33 C +ATOM 99 N LEU A 19 -9.870 -10.549 -27.546 1.00 39.47 N +ATOM 100 CA LEU A 19 -10.824 -9.614 -26.978 1.00 39.74 C +ATOM 101 C LEU A 19 -11.542 -10.229 -25.797 1.00 39.72 C +ATOM 102 O LEU A 19 -11.559 -9.653 -24.713 1.00 41.33 O +ATOM 103 CB LEU A 19 -11.847 -9.174 -28.033 1.00 40.65 C +ATOM 104 CG LEU A 19 -11.278 -8.302 -29.160 1.00 43.88 C +ATOM 105 CD1 LEU A 19 -12.366 -7.944 -30.169 1.00 42.54 C +ATOM 106 CD2 LEU A 19 -10.663 -7.038 -28.551 1.00 44.00 C +ATOM 107 N LEU A 20 -12.128 -11.403 -26.007 1.00 39.42 N +ATOM 108 CA LEU A 20 -12.865 -12.083 -24.954 1.00 39.54 C +ATOM 109 C LEU A 20 -11.976 -12.471 -23.776 1.00 39.18 C +ATOM 110 O LEU A 20 -12.412 -12.417 -22.627 1.00 38.41 O +ATOM 111 CB LEU A 20 -13.593 -13.299 -25.536 1.00 40.33 C +ATOM 112 CG LEU A 20 -14.960 -13.036 -26.208 1.00 42.07 C +ATOM 113 CD1 LEU A 20 -16.046 -12.932 -25.157 1.00 43.16 C +ATOM 114 CD2 LEU A 20 -14.926 -11.764 -27.031 1.00 42.89 C +ATOM 115 N GLN A 21 -10.732 -12.851 -24.059 1.00 39.62 N +ATOM 116 CA GLN A 21 -9.779 -13.211 -23.011 1.00 39.11 C +ATOM 117 C GLN A 21 -9.551 -11.996 -22.119 1.00 38.95 C +ATOM 118 O GLN A 21 -9.808 -12.038 -20.916 1.00 38.76 O +ATOM 119 CB GLN A 21 -8.436 -13.643 -23.625 1.00 40.86 C +ATOM 120 CG GLN A 21 -7.210 -13.460 -22.698 1.00 43.00 C +ATOM 121 CD GLN A 21 -6.177 -12.429 -23.209 1.00 44.35 C +ATOM 122 OE1 GLN A 21 -5.291 -12.001 -22.464 1.00 43.35 O +ATOM 123 NE2 GLN A 21 -6.287 -12.048 -24.478 1.00 44.52 N +ATOM 124 N GLN A 22 -9.070 -10.912 -22.727 1.00 38.40 N +ATOM 125 CA GLN A 22 -8.780 -9.682 -22.001 1.00 37.02 C +ATOM 126 C GLN A 22 -9.985 -9.188 -21.232 1.00 36.77 C +ATOM 127 O GLN A 22 -9.845 -8.450 -20.269 1.00 36.97 O +ATOM 128 CB GLN A 22 -8.320 -8.600 -22.966 1.00 36.69 C +ATOM 129 CG GLN A 22 -7.169 -9.018 -23.851 1.00 37.21 C +ATOM 130 CD GLN A 22 -6.568 -7.838 -24.581 1.00 39.24 C +ATOM 131 OE1 GLN A 22 -7.290 -7.032 -25.172 1.00 38.95 O +ATOM 132 NE2 GLN A 22 -5.240 -7.725 -24.546 1.00 39.85 N +ATOM 133 N MET A 23 -11.171 -9.603 -21.665 1.00 38.34 N +ATOM 134 CA MET A 23 -12.411 -9.200 -21.013 1.00 38.71 C +ATOM 135 C MET A 23 -12.740 -10.116 -19.839 1.00 36.89 C +ATOM 136 O MET A 23 -13.413 -9.709 -18.892 1.00 34.96 O +ATOM 137 CB MET A 23 -13.566 -9.194 -22.016 1.00 41.31 C +ATOM 138 CG MET A 23 -14.039 -7.805 -22.410 1.00 43.69 C +ATOM 139 SD MET A 23 -15.556 -7.321 -21.564 1.00 49.92 S +ATOM 140 CE MET A 23 -15.006 -5.856 -20.693 1.00 47.99 C +ATOM 141 N GLN A 24 -12.262 -11.355 -19.907 1.00 37.71 N +ATOM 142 CA GLN A 24 -12.409 -12.289 -18.799 1.00 38.92 C +ATOM 143 C GLN A 24 -11.345 -11.916 -17.763 1.00 37.77 C +ATOM 144 O GLN A 24 -11.593 -11.965 -16.556 1.00 38.21 O +ATOM 145 CB GLN A 24 -12.179 -13.711 -19.302 1.00 40.45 C +ATOM 146 CG GLN A 24 -12.802 -14.802 -18.468 1.00 43.84 C +ATOM 147 CD GLN A 24 -12.462 -16.178 -19.009 1.00 47.40 C +ATOM 148 OE1 GLN A 24 -11.400 -16.738 -18.700 1.00 48.92 O +ATOM 149 NE2 GLN A 24 -13.353 -16.726 -19.839 1.00 46.97 N +ATOM 150 N ASP A 25 -10.164 -11.540 -18.260 1.00 36.15 N +ATOM 151 CA ASP A 25 -9.046 -11.126 -17.414 1.00 35.12 C +ATOM 152 C ASP A 25 -9.463 -9.940 -16.541 1.00 33.06 C +ATOM 153 O ASP A 25 -9.177 -9.903 -15.344 1.00 32.56 O +ATOM 154 CB ASP A 25 -7.841 -10.723 -18.279 1.00 36.15 C +ATOM 155 CG ASP A 25 -7.113 -11.922 -18.896 1.00 38.18 C +ATOM 156 OD1 ASP A 25 -7.579 -13.071 -18.740 1.00 36.08 O +ATOM 157 OD2 ASP A 25 -6.064 -11.703 -19.546 1.00 39.76 O +ATOM 158 N LYS A 26 -10.139 -8.976 -17.156 1.00 31.01 N +ATOM 159 CA LYS A 26 -10.612 -7.787 -16.467 1.00 31.08 C +ATOM 160 C LYS A 26 -11.600 -8.098 -15.348 1.00 33.30 C +ATOM 161 O LYS A 26 -11.556 -7.466 -14.292 1.00 33.96 O +ATOM 162 CB LYS A 26 -11.269 -6.840 -17.467 1.00 30.59 C +ATOM 163 CG LYS A 26 -12.226 -5.826 -16.848 1.00 30.89 C +ATOM 164 CD LYS A 26 -11.676 -4.422 -16.928 1.00 32.22 C +ATOM 165 CE LYS A 26 -12.654 -3.439 -16.343 1.00 31.13 C +ATOM 166 NZ LYS A 26 -12.123 -2.064 -16.434 1.00 33.35 N +ATOM 167 N PHE A 27 -12.492 -9.059 -15.574 1.00 33.18 N +ATOM 168 CA PHE A 27 -13.494 -9.407 -14.571 1.00 34.37 C +ATOM 169 C PHE A 27 -12.997 -10.361 -13.478 1.00 33.05 C +ATOM 170 O PHE A 27 -13.431 -10.275 -12.332 1.00 31.19 O +ATOM 171 CB PHE A 27 -14.737 -9.953 -15.276 1.00 38.37 C +ATOM 172 CG PHE A 27 -15.348 -8.971 -16.245 1.00 43.23 C +ATOM 173 CD1 PHE A 27 -15.839 -9.393 -17.475 1.00 44.51 C +ATOM 174 CD2 PHE A 27 -15.399 -7.609 -15.939 1.00 44.47 C +ATOM 175 CE1 PHE A 27 -16.367 -8.477 -18.389 1.00 45.13 C +ATOM 176 CE2 PHE A 27 -15.926 -6.688 -16.847 1.00 44.23 C +ATOM 177 CZ PHE A 27 -16.410 -7.123 -18.072 1.00 43.75 C +ATOM 178 N GLN A 28 -12.086 -11.268 -13.815 1.00 33.04 N +ATOM 179 CA GLN A 28 -11.556 -12.158 -12.786 1.00 33.90 C +ATOM 180 C GLN A 28 -10.675 -11.310 -11.859 1.00 32.21 C +ATOM 181 O GLN A 28 -10.523 -11.601 -10.673 1.00 30.47 O +ATOM 182 CB GLN A 28 -10.727 -13.292 -13.400 1.00 34.42 C +ATOM 183 CG GLN A 28 -10.148 -14.259 -12.349 1.00 38.65 C +ATOM 184 CD GLN A 28 -11.217 -14.932 -11.468 1.00 39.74 C +ATOM 185 OE1 GLN A 28 -12.078 -15.669 -11.963 1.00 41.14 O +ATOM 186 NE2 GLN A 28 -11.155 -14.681 -10.158 1.00 38.31 N +ATOM 187 N THR A 29 -10.096 -10.258 -12.425 1.00 31.53 N +ATOM 188 CA THR A 29 -9.253 -9.337 -11.677 1.00 31.56 C +ATOM 189 C THR A 29 -10.116 -8.631 -10.630 1.00 29.75 C +ATOM 190 O THR A 29 -9.745 -8.539 -9.460 1.00 28.29 O +ATOM 191 CB THR A 29 -8.626 -8.289 -12.627 1.00 34.26 C +ATOM 192 OG1 THR A 29 -7.783 -8.964 -13.574 1.00 36.82 O +ATOM 193 CG2 THR A 29 -7.818 -7.232 -11.842 1.00 32.18 C +ATOM 194 N ILE A 30 -11.271 -8.133 -11.058 1.00 27.31 N +ATOM 195 CA ILE A 30 -12.174 -7.472 -10.135 1.00 26.64 C +ATOM 196 C ILE A 30 -12.662 -8.471 -9.077 1.00 25.43 C +ATOM 197 O ILE A 30 -12.826 -8.109 -7.915 1.00 26.13 O +ATOM 198 CB ILE A 30 -13.395 -6.879 -10.868 1.00 27.77 C +ATOM 199 CG1 ILE A 30 -12.948 -5.821 -11.874 1.00 28.43 C +ATOM 200 CG2 ILE A 30 -14.347 -6.249 -9.868 1.00 28.75 C +ATOM 201 CD1 ILE A 30 -14.105 -5.202 -12.632 1.00 28.75 C +ATOM 202 N SER A 31 -12.899 -9.722 -9.473 1.00 24.80 N +ATOM 203 CA SER A 31 -13.357 -10.742 -8.528 1.00 24.25 C +ATOM 204 C SER A 31 -12.272 -11.055 -7.517 1.00 23.62 C +ATOM 205 O SER A 31 -12.547 -11.324 -6.350 1.00 22.53 O +ATOM 206 CB SER A 31 -13.734 -12.032 -9.250 1.00 26.34 C +ATOM 207 OG SER A 31 -14.922 -11.866 -9.995 1.00 30.33 O +ATOM 208 N ASP A 32 -11.032 -11.032 -7.983 1.00 24.55 N +ATOM 209 CA ASP A 32 -9.893 -11.305 -7.125 1.00 25.82 C +ATOM 210 C ASP A 32 -9.748 -10.241 -6.037 1.00 25.15 C +ATOM 211 O ASP A 32 -9.478 -10.566 -4.879 1.00 25.02 O +ATOM 212 CB ASP A 32 -8.615 -11.380 -7.967 1.00 28.63 C +ATOM 213 CG ASP A 32 -8.537 -12.652 -8.800 1.00 30.91 C +ATOM 214 OD1 ASP A 32 -7.537 -12.811 -9.534 1.00 33.36 O +ATOM 215 OD2 ASP A 32 -9.470 -13.487 -8.715 1.00 30.59 O +ATOM 216 N GLN A 33 -9.930 -8.975 -6.410 1.00 24.61 N +ATOM 217 CA GLN A 33 -9.820 -7.874 -5.451 1.00 23.91 C +ATOM 218 C GLN A 33 -10.937 -7.994 -4.421 1.00 24.10 C +ATOM 219 O GLN A 33 -10.756 -7.649 -3.255 1.00 23.33 O +ATOM 220 CB GLN A 33 -9.934 -6.521 -6.162 1.00 25.81 C +ATOM 221 CG GLN A 33 -9.070 -6.380 -7.424 1.00 25.64 C +ATOM 222 CD GLN A 33 -9.233 -5.026 -8.117 1.00 24.74 C +ATOM 223 OE1 GLN A 33 -10.320 -4.439 -8.127 1.00 23.12 O +ATOM 224 NE2 GLN A 33 -8.156 -4.541 -8.716 1.00 25.84 N +ATOM 225 N ILE A 34 -12.095 -8.483 -4.870 1.00 24.38 N +ATOM 226 CA ILE A 34 -13.256 -8.670 -3.998 1.00 23.82 C +ATOM 227 C ILE A 34 -12.933 -9.795 -3.027 1.00 23.20 C +ATOM 228 O ILE A 34 -13.159 -9.677 -1.821 1.00 22.23 O +ATOM 229 CB ILE A 34 -14.544 -9.031 -4.817 1.00 24.21 C +ATOM 230 CG1 ILE A 34 -15.018 -7.809 -5.617 1.00 23.60 C +ATOM 231 CG2 ILE A 34 -15.658 -9.496 -3.887 1.00 21.27 C +ATOM 232 CD1 ILE A 34 -16.355 -8.013 -6.319 1.00 21.24 C +ATOM 233 N ILE A 35 -12.385 -10.881 -3.564 1.00 24.17 N +ATOM 234 CA ILE A 35 -12.010 -12.032 -2.747 1.00 24.06 C +ATOM 235 C ILE A 35 -10.957 -11.603 -1.739 1.00 23.02 C +ATOM 236 O ILE A 35 -10.932 -12.087 -0.610 1.00 23.30 O +ATOM 237 CB ILE A 35 -11.466 -13.175 -3.624 1.00 24.94 C +ATOM 238 CG1 ILE A 35 -12.591 -13.687 -4.542 1.00 24.77 C +ATOM 239 CG2 ILE A 35 -10.917 -14.293 -2.742 1.00 23.71 C +ATOM 240 CD1 ILE A 35 -12.139 -14.556 -5.706 1.00 25.91 C +ATOM 241 N GLY A 36 -10.092 -10.682 -2.154 1.00 24.02 N +ATOM 242 CA GLY A 36 -9.070 -10.190 -1.258 1.00 21.25 C +ATOM 243 C GLY A 36 -9.721 -9.517 -0.074 1.00 23.09 C +ATOM 244 O GLY A 36 -9.338 -9.760 1.069 1.00 23.49 O +ATOM 245 N ARG A 37 -10.717 -8.678 -0.349 1.00 24.78 N +ATOM 246 CA ARG A 37 -11.441 -7.959 0.701 1.00 27.55 C +ATOM 247 C ARG A 37 -12.151 -8.904 1.664 1.00 26.61 C +ATOM 248 O ARG A 37 -12.185 -8.665 2.872 1.00 25.64 O +ATOM 249 CB ARG A 37 -12.472 -6.996 0.089 1.00 33.95 C +ATOM 250 CG ARG A 37 -11.871 -5.815 -0.686 1.00 38.38 C +ATOM 251 CD ARG A 37 -12.940 -4.871 -1.259 1.00 42.81 C +ATOM 252 NE ARG A 37 -13.750 -4.197 -0.240 1.00 47.70 N +ATOM 253 CZ ARG A 37 -13.266 -3.410 0.722 1.00 51.39 C +ATOM 254 NH1 ARG A 37 -11.960 -3.190 0.821 1.00 53.33 N +ATOM 255 NH2 ARG A 37 -14.093 -2.830 1.586 1.00 51.10 N +ATOM 256 N ILE A 38 -12.726 -9.973 1.127 1.00 26.45 N +ATOM 257 CA ILE A 38 -13.421 -10.942 1.960 1.00 27.85 C +ATOM 258 C ILE A 38 -12.425 -11.639 2.881 1.00 29.06 C +ATOM 259 O ILE A 38 -12.727 -11.916 4.041 1.00 29.01 O +ATOM 260 CB ILE A 38 -14.156 -11.998 1.101 1.00 27.34 C +ATOM 261 CG1 ILE A 38 -15.234 -11.310 0.251 1.00 25.64 C +ATOM 262 CG2 ILE A 38 -14.772 -13.055 2.002 1.00 27.19 C +ATOM 263 CD1 ILE A 38 -16.028 -12.246 -0.623 1.00 23.80 C +ATOM 264 N ASP A 39 -11.227 -11.909 2.366 1.00 31.23 N +ATOM 265 CA ASP A 39 -10.204 -12.571 3.163 1.00 32.39 C +ATOM 266 C ASP A 39 -9.796 -11.757 4.392 1.00 34.63 C +ATOM 267 O ASP A 39 -9.625 -12.314 5.479 1.00 33.17 O +ATOM 268 CB ASP A 39 -8.980 -12.871 2.307 1.00 34.66 C +ATOM 269 CG ASP A 39 -9.192 -14.057 1.398 1.00 37.26 C +ATOM 270 OD1 ASP A 39 -9.710 -15.082 1.886 1.00 37.79 O +ATOM 271 OD2 ASP A 39 -8.837 -13.976 0.203 1.00 39.95 O +ATOM 272 N ASP A 40 -9.639 -10.443 4.225 1.00 36.10 N +ATOM 273 CA ASP A 40 -9.263 -9.593 5.351 1.00 38.17 C +ATOM 274 C ASP A 40 -10.389 -9.589 6.377 1.00 38.79 C +ATOM 275 O ASP A 40 -10.141 -9.674 7.578 1.00 37.64 O +ATOM 276 CB ASP A 40 -8.982 -8.157 4.896 1.00 40.07 C +ATOM 277 CG ASP A 40 -7.870 -8.074 3.862 1.00 42.73 C +ATOM 278 OD1 ASP A 40 -6.917 -8.889 3.911 1.00 43.20 O +ATOM 279 OD2 ASP A 40 -7.945 -7.172 3.004 1.00 44.87 O +ATOM 280 N MET A 41 -11.626 -9.489 5.893 1.00 38.92 N +ATOM 281 CA MET A 41 -12.795 -9.493 6.764 1.00 38.28 C +ATOM 282 C MET A 41 -12.914 -10.799 7.523 1.00 37.43 C +ATOM 283 O MET A 41 -13.412 -10.822 8.638 1.00 37.85 O +ATOM 284 CB MET A 41 -14.067 -9.281 5.952 1.00 38.43 C +ATOM 285 CG MET A 41 -14.494 -7.834 5.844 1.00 41.79 C +ATOM 286 SD MET A 41 -16.113 -7.691 5.093 1.00 44.09 S +ATOM 287 CE MET A 41 -16.988 -9.051 5.912 1.00 40.31 C +ATOM 288 N SER A 42 -12.463 -11.886 6.909 1.00 38.78 N +ATOM 289 CA SER A 42 -12.530 -13.201 7.541 1.00 40.05 C +ATOM 290 C SER A 42 -11.480 -13.340 8.639 1.00 40.60 C +ATOM 291 O SER A 42 -11.636 -14.157 9.546 1.00 40.53 O +ATOM 292 CB SER A 42 -12.339 -14.305 6.498 1.00 39.68 C +ATOM 293 OG SER A 42 -12.645 -15.569 7.055 1.00 41.55 O +ATOM 294 N SER A 43 -10.416 -12.540 8.550 1.00 41.44 N +ATOM 295 CA SER A 43 -9.335 -12.545 9.546 1.00 42.28 C +ATOM 296 C SER A 43 -9.794 -11.748 10.772 1.00 41.77 C +ATOM 297 O SER A 43 -9.572 -12.161 11.914 1.00 42.66 O +ATOM 298 CB SER A 43 -8.061 -11.924 8.958 1.00 42.37 C +ATOM 299 OG SER A 43 -6.957 -12.098 9.828 1.00 46.16 O +ATOM 300 N ARG A 44 -10.427 -10.603 10.527 1.00 40.23 N +ATOM 301 CA ARG A 44 -10.963 -9.775 11.602 1.00 39.70 C +ATOM 302 C ARG A 44 -12.007 -10.622 12.347 1.00 39.20 C +ATOM 303 O ARG A 44 -12.006 -10.687 13.573 1.00 38.03 O +ATOM 304 CB ARG A 44 -11.618 -8.507 11.025 1.00 39.75 C +ATOM 305 CG ARG A 44 -10.634 -7.411 10.589 1.00 38.97 C +ATOM 306 CD ARG A 44 -11.259 -6.371 9.634 1.00 36.48 C +ATOM 307 NE ARG A 44 -12.494 -5.764 10.136 1.00 38.74 N +ATOM 308 CZ ARG A 44 -13.221 -4.868 9.465 1.00 39.47 C +ATOM 309 NH1 ARG A 44 -14.332 -4.373 9.993 1.00 40.12 N +ATOM 310 NH2 ARG A 44 -12.840 -4.457 8.262 1.00 39.59 N +ATOM 311 N ILE A 45 -12.893 -11.278 11.596 1.00 40.66 N +ATOM 312 CA ILE A 45 -13.921 -12.133 12.200 1.00 40.33 C +ATOM 313 C ILE A 45 -13.213 -13.231 12.974 1.00 41.01 C +ATOM 314 O ILE A 45 -13.686 -13.660 14.021 1.00 41.68 O +ATOM 315 CB ILE A 45 -14.831 -12.822 11.145 1.00 39.11 C +ATOM 316 CG1 ILE A 45 -15.615 -11.779 10.337 1.00 38.50 C +ATOM 317 CG2 ILE A 45 -15.787 -13.776 11.844 1.00 36.34 C +ATOM 318 CD1 ILE A 45 -16.508 -12.381 9.256 1.00 37.56 C +ATOM 319 N ASP A 46 -12.086 -13.692 12.437 1.00 41.15 N +ATOM 320 CA ASP A 46 -11.306 -14.735 13.082 1.00 42.34 C +ATOM 321 C ASP A 46 -10.869 -14.212 14.433 1.00 45.01 C +ATOM 322 O ASP A 46 -11.094 -14.843 15.467 1.00 44.79 O +ATOM 323 CB ASP A 46 -10.059 -15.068 12.260 1.00 41.58 C +ATOM 324 CG ASP A 46 -10.320 -16.097 11.177 1.00 41.04 C +ATOM 325 OD1 ASP A 46 -9.362 -16.453 10.458 1.00 41.60 O +ATOM 326 OD2 ASP A 46 -11.472 -16.554 11.038 1.00 41.08 O +ATOM 327 N ASP A 47 -10.245 -13.041 14.406 1.00 47.56 N +ATOM 328 CA ASP A 47 -9.747 -12.405 15.613 1.00 50.20 C +ATOM 329 C ASP A 47 -10.837 -11.799 16.505 1.00 51.28 C +ATOM 330 O ASP A 47 -10.534 -11.027 17.420 1.00 52.85 O +ATOM 331 CB ASP A 47 -8.715 -11.338 15.244 1.00 49.63 C +ATOM 332 CG ASP A 47 -7.622 -11.873 14.332 1.00 49.78 C +ATOM 333 OD1 ASP A 47 -7.376 -13.106 14.332 1.00 49.32 O +ATOM 334 OD2 ASP A 47 -7.001 -11.049 13.624 1.00 49.13 O +ATOM 335 N LEU A 48 -12.097 -12.144 16.232 1.00 51.94 N +ATOM 336 CA LEU A 48 -13.233 -11.673 17.032 1.00 52.23 C +ATOM 337 C LEU A 48 -13.908 -12.855 17.716 1.00 53.10 C +ATOM 338 O LEU A 48 -14.469 -12.715 18.804 1.00 53.59 O +ATOM 339 CB LEU A 48 -14.272 -10.947 16.172 1.00 49.87 C +ATOM 340 CG LEU A 48 -14.062 -9.450 15.931 1.00 49.87 C +ATOM 341 CD1 LEU A 48 -15.251 -8.907 15.166 1.00 48.43 C +ATOM 342 CD2 LEU A 48 -13.908 -8.712 17.253 1.00 48.05 C +ATOM 343 N GLU A 49 -13.844 -14.015 17.065 1.00 54.09 N +ATOM 344 CA GLU A 49 -14.443 -15.244 17.582 1.00 55.33 C +ATOM 345 C GLU A 49 -13.527 -15.945 18.583 1.00 56.10 C +ATOM 346 O GLU A 49 -12.352 -15.530 18.734 1.00 55.55 O +ATOM 347 CB GLU A 49 -14.744 -16.212 16.432 1.00 54.70 C +ATOM 348 CG GLU A 49 -15.673 -15.669 15.369 1.00 52.96 C +ATOM 349 CD GLU A 49 -15.541 -16.424 14.069 1.00 52.53 C +ATOM 350 OE1 GLU A 49 -14.442 -16.411 13.478 1.00 51.30 O +ATOM 351 OE2 GLU A 49 -16.532 -17.036 13.637 1.00 52.10 O +ATOM 353 N VAL B 9 -16.777 -19.812 -30.959 1.00 56.57 N +ATOM 354 CA VAL B 9 -15.379 -19.396 -30.975 1.00 57.67 C +ATOM 355 C VAL B 9 -14.721 -19.723 -32.311 1.00 58.03 C +ATOM 356 O VAL B 9 -14.357 -18.826 -33.071 1.00 57.25 O +ATOM 357 CB VAL B 9 -14.579 -20.064 -29.842 1.00 58.13 C +ATOM 358 CG1 VAL B 9 -13.092 -20.050 -30.164 1.00 58.36 C +ATOM 359 CG2 VAL B 9 -14.851 -19.366 -28.518 1.00 57.82 C +ATOM 360 N GLN B 10 -14.572 -21.014 -32.591 1.00 58.01 N +ATOM 361 CA GLN B 10 -14.285 -21.477 -33.943 1.00 57.69 C +ATOM 362 C GLN B 10 -15.550 -21.508 -34.795 1.00 57.41 C +ATOM 363 O GLN B 10 -15.500 -21.296 -36.006 1.00 57.57 O +ATOM 364 CB GLN B 10 -13.640 -22.863 -33.910 1.00 58.98 C +ATOM 365 CG GLN B 10 -14.634 -24.012 -33.944 1.00 59.77 C +ATOM 366 CD GLN B 10 -14.008 -25.336 -33.552 1.00 60.31 C +ATOM 367 OE1 GLN B 10 -14.632 -26.391 -33.673 1.00 60.66 O +ATOM 368 NE2 GLN B 10 -12.768 -25.288 -33.080 1.00 61.17 N +ATOM 369 N ASP B 11 -16.683 -21.774 -34.153 1.00 57.15 N +ATOM 370 CA ASP B 11 -17.977 -21.706 -34.822 1.00 56.90 C +ATOM 371 C ASP B 11 -18.240 -20.307 -35.371 1.00 54.94 C +ATOM 372 O ASP B 11 -19.020 -20.135 -36.308 1.00 54.68 O +ATOM 373 CB ASP B 11 -19.097 -22.114 -33.864 1.00 57.73 C +ATOM 374 CG ASP B 11 -18.660 -23.176 -32.874 1.00 58.65 C +ATOM 375 OD1 ASP B 11 -17.914 -22.839 -31.930 1.00 58.00 O +ATOM 376 OD2 ASP B 11 -19.061 -24.347 -33.040 1.00 60.24 O +ATOM 377 N LEU B 12 -17.585 -19.313 -34.782 1.00 53.27 N +ATOM 378 CA LEU B 12 -17.490 -17.991 -35.391 1.00 52.24 C +ATOM 379 C LEU B 12 -16.717 -18.043 -36.704 1.00 52.40 C +ATOM 380 O LEU B 12 -17.218 -17.624 -37.748 1.00 52.36 O +ATOM 381 CB LEU B 12 -16.827 -17.004 -34.428 1.00 50.66 C +ATOM 382 CG LEU B 12 -17.471 -15.620 -34.326 1.00 49.12 C +ATOM 383 CD1 LEU B 12 -16.506 -14.622 -33.706 1.00 47.06 C +ATOM 384 CD2 LEU B 12 -17.937 -15.142 -35.693 1.00 48.03 C +ATOM 385 N THR B 13 -15.494 -18.559 -36.645 1.00 53.58 N +ATOM 386 CA THR B 13 -14.585 -18.512 -37.788 1.00 55.27 C +ATOM 387 C THR B 13 -15.151 -19.198 -39.014 1.00 54.85 C +ATOM 388 O THR B 13 -14.815 -18.839 -40.142 1.00 55.75 O +ATOM 389 CB THR B 13 -13.221 -19.167 -37.490 1.00 56.21 C +ATOM 390 OG1 THR B 13 -12.319 -18.870 -38.566 1.00 57.24 O +ATOM 391 CG2 THR B 13 -13.354 -20.681 -37.369 1.00 56.74 C +ATOM 392 N SER B 14 -16.003 -20.192 -38.797 1.00 54.01 N +ATOM 393 CA SER B 14 -16.595 -20.907 -39.914 1.00 53.16 C +ATOM 394 C SER B 14 -17.821 -20.168 -40.443 1.00 52.50 C +ATOM 395 O SER B 14 -18.015 -20.086 -41.649 1.00 52.76 O +ATOM 396 CB SER B 14 -16.955 -22.338 -39.495 1.00 53.13 C +ATOM 397 OG SER B 14 -15.792 -23.063 -39.120 1.00 51.49 O +ATOM 398 N VAL B 15 -18.638 -19.620 -39.546 1.00 51.18 N +ATOM 399 CA VAL B 15 -19.828 -18.884 -39.964 1.00 50.62 C +ATOM 400 C VAL B 15 -19.441 -17.651 -40.777 1.00 50.84 C +ATOM 401 O VAL B 15 -20.261 -17.088 -41.505 1.00 52.51 O +ATOM 402 CB VAL B 15 -20.679 -18.442 -38.755 1.00 50.19 C +ATOM 403 CG1 VAL B 15 -21.893 -17.657 -39.225 1.00 50.19 C +ATOM 404 CG2 VAL B 15 -21.130 -19.656 -37.974 1.00 50.89 C +ATOM 405 N VAL B 16 -18.191 -17.224 -40.644 1.00 49.84 N +ATOM 406 CA VAL B 16 -17.697 -16.076 -41.397 1.00 48.53 C +ATOM 407 C VAL B 16 -17.144 -16.638 -42.698 1.00 48.44 C +ATOM 408 O VAL B 16 -17.348 -16.092 -43.785 1.00 48.51 O +ATOM 409 CB VAL B 16 -16.557 -15.370 -40.657 1.00 47.52 C +ATOM 410 CG1 VAL B 16 -15.986 -14.266 -41.525 1.00 46.47 C +ATOM 411 CG2 VAL B 16 -17.062 -14.820 -39.339 1.00 47.95 C +ATOM 412 N GLN B 17 -16.448 -17.757 -42.551 1.00 47.80 N +ATOM 413 CA GLN B 17 -15.828 -18.474 -43.648 1.00 47.73 C +ATOM 414 C GLN B 17 -16.880 -18.903 -44.678 1.00 47.86 C +ATOM 415 O GLN B 17 -16.619 -18.914 -45.879 1.00 48.63 O +ATOM 416 CB GLN B 17 -15.126 -19.694 -43.070 1.00 48.54 C +ATOM 417 CG GLN B 17 -13.963 -20.212 -43.860 1.00 48.97 C +ATOM 418 CD GLN B 17 -13.264 -21.330 -43.123 1.00 49.51 C +ATOM 419 OE1 GLN B 17 -13.879 -22.340 -42.784 1.00 50.22 O +ATOM 420 NE2 GLN B 17 -11.975 -21.155 -42.864 1.00 49.67 N +ATOM 421 N THR B 18 -18.066 -19.254 -44.190 1.00 47.42 N +ATOM 422 CA THR B 18 -19.178 -19.686 -45.038 1.00 46.45 C +ATOM 423 C THR B 18 -19.827 -18.476 -45.722 1.00 45.50 C +ATOM 424 O THR B 18 -19.871 -18.399 -46.946 1.00 45.96 O +ATOM 425 CB THR B 18 -20.260 -20.448 -44.203 1.00 46.94 C +ATOM 426 OG1 THR B 18 -19.655 -21.559 -43.524 1.00 47.88 O +ATOM 427 CG2 THR B 18 -21.379 -20.974 -45.103 1.00 47.12 C +ATOM 428 N LEU B 19 -20.324 -17.532 -44.931 1.00 44.11 N +ATOM 429 CA LEU B 19 -20.960 -16.347 -45.489 1.00 42.87 C +ATOM 430 C LEU B 19 -20.107 -15.747 -46.600 1.00 42.66 C +ATOM 431 O LEU B 19 -20.629 -15.247 -47.595 1.00 41.91 O +ATOM 432 CB LEU B 19 -21.185 -15.288 -44.400 1.00 42.76 C +ATOM 433 CG LEU B 19 -22.276 -15.471 -43.340 1.00 41.77 C +ATOM 434 CD1 LEU B 19 -22.246 -14.292 -42.375 1.00 41.22 C +ATOM 435 CD2 LEU B 19 -23.636 -15.564 -44.003 1.00 41.56 C +ATOM 436 N LEU B 20 -18.793 -15.791 -46.427 1.00 42.44 N +ATOM 437 CA LEU B 20 -17.907 -15.228 -47.430 1.00 43.38 C +ATOM 438 C LEU B 20 -17.713 -16.163 -48.620 1.00 45.38 C +ATOM 439 O LEU B 20 -17.636 -15.712 -49.768 1.00 43.16 O +ATOM 440 CB LEU B 20 -16.555 -14.871 -46.801 1.00 43.00 C +ATOM 441 CG LEU B 20 -16.515 -13.668 -45.843 1.00 40.55 C +ATOM 442 CD1 LEU B 20 -15.118 -13.520 -45.289 1.00 39.61 C +ATOM 443 CD2 LEU B 20 -16.925 -12.395 -46.564 1.00 40.46 C +ATOM 444 N GLN B 21 -17.654 -17.465 -48.347 1.00 48.00 N +ATOM 445 CA GLN B 21 -17.470 -18.462 -49.402 1.00 50.24 C +ATOM 446 C GLN B 21 -18.690 -18.647 -50.288 1.00 49.90 C +ATOM 447 O GLN B 21 -18.608 -19.262 -51.347 1.00 49.80 O +ATOM 448 CB GLN B 21 -17.072 -19.810 -48.805 1.00 51.68 C +ATOM 449 CG GLN B 21 -15.656 -20.222 -49.185 1.00 56.25 C +ATOM 450 CD GLN B 21 -15.205 -21.484 -48.478 1.00 59.21 C +ATOM 451 OE1 GLN B 21 -14.049 -21.906 -48.604 1.00 59.44 O +ATOM 452 NE2 GLN B 21 -16.118 -22.097 -47.724 1.00 60.57 N +ATOM 453 N GLN B 22 -19.824 -18.118 -49.848 1.00 49.83 N +ATOM 454 CA GLN B 22 -21.049 -18.218 -50.621 1.00 49.80 C +ATOM 455 C GLN B 22 -21.078 -17.006 -51.529 1.00 49.66 C +ATOM 456 O GLN B 22 -21.396 -17.117 -52.710 1.00 49.90 O +ATOM 457 CB GLN B 22 -22.270 -18.209 -49.698 1.00 49.30 C +ATOM 458 CG GLN B 22 -22.167 -19.207 -48.557 1.00 50.15 C +ATOM 459 CD GLN B 22 -23.425 -19.278 -47.717 1.00 50.09 C +ATOM 460 OE1 GLN B 22 -24.035 -18.253 -47.395 1.00 49.34 O +ATOM 461 NE2 GLN B 22 -23.814 -20.495 -47.342 1.00 51.26 N +ATOM 462 N MET B 23 -20.727 -15.851 -50.968 1.00 49.94 N +ATOM 463 CA MET B 23 -20.701 -14.600 -51.718 1.00 50.12 C +ATOM 464 C MET B 23 -19.708 -14.685 -52.884 1.00 49.80 C +ATOM 465 O MET B 23 -19.928 -14.087 -53.937 1.00 49.53 O +ATOM 466 CB MET B 23 -20.335 -13.434 -50.786 1.00 52.54 C +ATOM 467 CG MET B 23 -20.243 -12.070 -51.477 1.00 56.13 C +ATOM 468 SD MET B 23 -19.988 -10.656 -50.354 1.00 61.11 S +ATOM 469 CE MET B 23 -20.623 -9.285 -51.344 1.00 59.07 C +ATOM 470 N GLN B 24 -18.622 -15.433 -52.710 1.00 48.46 N +ATOM 471 CA GLN B 24 -17.655 -15.556 -53.783 1.00 47.44 C +ATOM 472 C GLN B 24 -18.062 -16.606 -54.811 1.00 46.09 C +ATOM 473 O GLN B 24 -17.663 -16.520 -55.967 1.00 45.30 O +ATOM 474 CB GLN B 24 -16.280 -15.901 -53.243 1.00 49.22 C +ATOM 475 CG GLN B 24 -15.222 -15.863 -54.329 1.00 53.28 C +ATOM 476 CD GLN B 24 -13.929 -16.517 -53.906 1.00 55.87 C +ATOM 477 OE1 GLN B 24 -13.894 -17.711 -53.610 1.00 57.92 O +ATOM 478 NE2 GLN B 24 -12.854 -15.740 -53.874 1.00 58.83 N +ATOM 479 N ASP B 25 -18.839 -17.602 -54.391 1.00 45.69 N +ATOM 480 CA ASP B 25 -19.303 -18.647 -55.308 1.00 46.59 C +ATOM 481 C ASP B 25 -20.292 -18.038 -56.291 1.00 45.93 C +ATOM 482 O ASP B 25 -20.313 -18.384 -57.478 1.00 44.65 O +ATOM 483 CB ASP B 25 -20.001 -19.781 -54.553 1.00 48.62 C +ATOM 484 CG ASP B 25 -19.026 -20.701 -53.848 1.00 49.97 C +ATOM 485 OD1 ASP B 25 -17.995 -21.046 -54.470 1.00 50.63 O +ATOM 486 OD2 ASP B 25 -19.304 -21.086 -52.685 1.00 50.28 O +ATOM 487 N LYS B 26 -21.121 -17.139 -55.771 1.00 45.09 N +ATOM 488 CA LYS B 26 -22.110 -16.437 -56.573 1.00 45.45 C +ATOM 489 C LYS B 26 -21.332 -15.603 -57.593 1.00 44.48 C +ATOM 490 O LYS B 26 -21.693 -15.523 -58.765 1.00 44.04 O +ATOM 491 CB LYS B 26 -22.962 -15.539 -55.673 1.00 45.30 C +ATOM 492 CG LYS B 26 -24.105 -14.864 -56.382 1.00 47.80 C +ATOM 493 CD LYS B 26 -24.915 -14.025 -55.426 1.00 51.41 C +ATOM 494 CE LYS B 26 -26.002 -13.266 -56.171 1.00 53.34 C +ATOM 495 NZ LYS B 26 -25.408 -12.381 -57.216 1.00 54.48 N +ATOM 496 N PHE B 27 -20.256 -14.988 -57.124 1.00 44.49 N +ATOM 497 CA PHE B 27 -19.376 -14.182 -57.957 1.00 45.52 C +ATOM 498 C PHE B 27 -18.833 -15.044 -59.105 1.00 45.47 C +ATOM 499 O PHE B 27 -18.918 -14.670 -60.281 1.00 43.66 O +ATOM 500 CB PHE B 27 -18.224 -13.665 -57.086 1.00 49.00 C +ATOM 501 CG PHE B 27 -17.024 -13.185 -57.858 1.00 51.45 C +ATOM 502 CD1 PHE B 27 -15.739 -13.497 -57.417 1.00 52.37 C +ATOM 503 CD2 PHE B 27 -17.171 -12.409 -59.005 1.00 52.46 C +ATOM 504 CE1 PHE B 27 -14.619 -13.042 -58.104 1.00 52.98 C +ATOM 505 CE2 PHE B 27 -16.056 -11.948 -59.701 1.00 53.26 C +ATOM 506 CZ PHE B 27 -14.778 -12.266 -59.251 1.00 53.18 C +ATOM 507 N GLN B 28 -18.270 -16.196 -58.744 1.00 45.30 N +ATOM 508 CA GLN B 28 -17.707 -17.131 -59.711 1.00 45.09 C +ATOM 509 C GLN B 28 -18.753 -17.552 -60.725 1.00 44.41 C +ATOM 510 O GLN B 28 -18.499 -17.562 -61.928 1.00 43.46 O +ATOM 511 CB GLN B 28 -17.179 -18.378 -59.000 1.00 46.36 C +ATOM 512 CG GLN B 28 -15.927 -18.141 -58.178 1.00 48.33 C +ATOM 513 CD GLN B 28 -14.817 -17.508 -58.987 1.00 48.32 C +ATOM 514 OE1 GLN B 28 -14.488 -17.970 -60.082 1.00 48.95 O +ATOM 515 NE2 GLN B 28 -14.227 -16.444 -58.450 1.00 49.74 N +ATOM 516 N THR B 29 -19.927 -17.910 -60.215 1.00 44.40 N +ATOM 517 CA THR B 29 -21.051 -18.339 -61.040 1.00 43.69 C +ATOM 518 C THR B 29 -21.345 -17.374 -62.191 1.00 42.51 C +ATOM 519 O THR B 29 -21.442 -17.787 -63.349 1.00 40.88 O +ATOM 520 CB THR B 29 -22.320 -18.497 -60.174 1.00 44.87 C +ATOM 521 OG1 THR B 29 -22.124 -19.568 -59.241 1.00 45.11 O +ATOM 522 CG2 THR B 29 -23.543 -18.781 -61.045 1.00 44.56 C +ATOM 523 N ILE B 30 -21.493 -16.093 -61.868 1.00 41.40 N +ATOM 524 CA ILE B 30 -21.767 -15.092 -62.888 1.00 41.32 C +ATOM 525 C ILE B 30 -20.546 -14.942 -63.790 1.00 40.25 C +ATOM 526 O ILE B 30 -20.673 -14.834 -65.004 1.00 39.69 O +ATOM 527 CB ILE B 30 -22.117 -13.717 -62.249 1.00 43.17 C +ATOM 528 CG1 ILE B 30 -23.379 -13.855 -61.386 1.00 43.22 C +ATOM 529 CG2 ILE B 30 -22.318 -12.655 -63.340 1.00 41.40 C +ATOM 530 CD1 ILE B 30 -23.850 -12.556 -60.749 1.00 42.86 C +ATOM 531 N SER B 31 -19.363 -14.949 -63.193 1.00 38.58 N +ATOM 532 CA SER B 31 -18.139 -14.805 -63.960 1.00 39.65 C +ATOM 533 C SER B 31 -17.970 -15.949 -64.948 1.00 40.38 C +ATOM 534 O SER B 31 -17.910 -15.723 -66.156 1.00 40.16 O +ATOM 535 CB SER B 31 -16.935 -14.751 -63.025 1.00 40.17 C +ATOM 536 OG SER B 31 -17.062 -13.679 -62.109 1.00 44.24 O +ATOM 537 N ASP B 32 -17.885 -17.175 -64.434 1.00 39.97 N +ATOM 538 CA ASP B 32 -17.724 -18.354 -65.279 1.00 40.01 C +ATOM 539 C ASP B 32 -18.771 -18.354 -66.388 1.00 39.15 C +ATOM 540 O ASP B 32 -18.539 -18.829 -67.499 1.00 37.90 O +ATOM 541 CB ASP B 32 -17.858 -19.632 -64.439 1.00 42.86 C +ATOM 542 CG ASP B 32 -16.654 -19.870 -63.535 1.00 46.65 C +ATOM 543 OD1 ASP B 32 -15.519 -19.865 -64.050 1.00 48.78 O +ATOM 544 OD2 ASP B 32 -16.833 -20.069 -62.312 1.00 50.13 O +ATOM 545 N GLN B 33 -19.927 -17.798 -66.068 1.00 38.54 N +ATOM 546 CA GLN B 33 -21.032 -17.721 -66.996 1.00 37.39 C +ATOM 547 C GLN B 33 -20.670 -16.758 -68.121 1.00 36.44 C +ATOM 548 O GLN B 33 -20.931 -17.018 -69.294 1.00 36.26 O +ATOM 549 CB GLN B 33 -22.242 -17.211 -66.240 1.00 38.39 C +ATOM 550 CG GLN B 33 -23.563 -17.408 -66.917 1.00 43.94 C +ATOM 551 CD GLN B 33 -24.661 -16.672 -66.181 1.00 46.91 C +ATOM 552 OE1 GLN B 33 -24.788 -15.443 -66.296 1.00 48.75 O +ATOM 553 NE2 GLN B 33 -25.446 -17.410 -65.395 1.00 45.77 N +ATOM 554 N ILE B 34 -20.065 -15.642 -67.731 1.00 35.18 N +ATOM 555 CA ILE B 34 -19.644 -14.581 -68.638 1.00 32.23 C +ATOM 556 C ILE B 34 -18.484 -14.998 -69.534 1.00 31.60 C +ATOM 557 O ILE B 34 -18.539 -14.828 -70.750 1.00 31.61 O +ATOM 558 CB ILE B 34 -19.245 -13.321 -67.819 1.00 33.24 C +ATOM 559 CG1 ILE B 34 -20.508 -12.655 -67.251 1.00 32.91 C +ATOM 560 CG2 ILE B 34 -18.436 -12.356 -68.675 1.00 33.60 C +ATOM 561 CD1 ILE B 34 -20.243 -11.462 -66.333 1.00 33.52 C +ATOM 562 N ILE B 35 -17.431 -15.534 -68.926 1.00 31.08 N +ATOM 563 CA ILE B 35 -16.249 -15.972 -69.664 1.00 31.17 C +ATOM 564 C ILE B 35 -16.619 -17.012 -70.723 1.00 30.82 C +ATOM 565 O ILE B 35 -16.025 -17.056 -71.803 1.00 30.12 O +ATOM 566 CB ILE B 35 -15.180 -16.566 -68.697 1.00 33.16 C +ATOM 567 CG1 ILE B 35 -14.748 -15.502 -67.679 1.00 33.52 C +ATOM 568 CG2 ILE B 35 -13.971 -17.059 -69.484 1.00 34.35 C +ATOM 569 CD1 ILE B 35 -13.684 -15.958 -66.704 1.00 35.37 C +ATOM 570 N GLY B 36 -17.604 -17.847 -70.405 1.00 30.14 N +ATOM 571 CA GLY B 36 -18.045 -18.855 -71.346 1.00 28.66 C +ATOM 572 C GLY B 36 -18.638 -18.184 -72.566 1.00 28.32 C +ATOM 573 O GLY B 36 -18.385 -18.609 -73.684 1.00 28.36 O +ATOM 574 N ARG B 37 -19.423 -17.129 -72.353 1.00 28.43 N +ATOM 575 CA ARG B 37 -20.052 -16.394 -73.454 1.00 27.99 C +ATOM 576 C ARG B 37 -19.009 -15.695 -74.329 1.00 27.69 C +ATOM 577 O ARG B 37 -19.096 -15.721 -75.554 1.00 26.28 O +ATOM 578 CB ARG B 37 -21.051 -15.363 -72.915 1.00 26.97 C +ATOM 579 CG ARG B 37 -22.296 -15.970 -72.269 1.00 25.73 C +ATOM 580 CD ARG B 37 -23.320 -14.902 -71.916 1.00 25.48 C +ATOM 581 NE ARG B 37 -23.888 -14.290 -73.113 1.00 29.09 N +ATOM 582 CZ ARG B 37 -24.653 -13.202 -73.116 1.00 29.50 C +ATOM 583 NH1 ARG B 37 -24.953 -12.587 -71.982 1.00 31.70 N +ATOM 584 NH2 ARG B 37 -25.115 -12.718 -74.262 1.00 31.01 N +ATOM 585 N ILE B 38 -18.023 -15.078 -73.688 1.00 26.52 N +ATOM 586 CA ILE B 38 -16.946 -14.394 -74.393 1.00 24.91 C +ATOM 587 C ILE B 38 -16.150 -15.410 -75.193 1.00 24.71 C +ATOM 588 O ILE B 38 -15.737 -15.158 -76.317 1.00 23.23 O +ATOM 589 CB ILE B 38 -15.999 -13.707 -73.397 1.00 26.13 C +ATOM 590 CG1 ILE B 38 -16.802 -12.769 -72.493 1.00 25.86 C +ATOM 591 CG2 ILE B 38 -14.930 -12.931 -74.140 1.00 26.38 C +ATOM 592 CD1 ILE B 38 -16.000 -12.173 -71.379 1.00 24.18 C +ATOM 593 N ASP B 39 -15.932 -16.577 -74.605 1.00 27.40 N +ATOM 594 CA ASP B 39 -15.178 -17.605 -75.298 1.00 28.81 C +ATOM 595 C ASP B 39 -15.886 -18.048 -76.564 1.00 29.15 C +ATOM 596 O ASP B 39 -15.240 -18.336 -77.566 1.00 28.23 O +ATOM 597 CB ASP B 39 -14.932 -18.809 -74.380 1.00 30.29 C +ATOM 598 CG ASP B 39 -13.927 -18.501 -73.276 1.00 31.98 C +ATOM 599 OD1 ASP B 39 -12.883 -17.895 -73.588 1.00 32.81 O +ATOM 600 OD2 ASP B 39 -14.170 -18.866 -72.106 1.00 33.35 O +ATOM 601 N ASP B 40 -17.214 -18.100 -76.530 1.00 29.33 N +ATOM 602 CA ASP B 40 -17.949 -18.514 -77.715 1.00 30.09 C +ATOM 603 C ASP B 40 -17.977 -17.382 -78.733 1.00 29.21 C +ATOM 604 O ASP B 40 -17.945 -17.628 -79.943 1.00 28.64 O +ATOM 605 CB ASP B 40 -19.375 -18.914 -77.364 1.00 32.98 C +ATOM 606 CG ASP B 40 -20.075 -19.598 -78.514 1.00 35.24 C +ATOM 607 OD1 ASP B 40 -21.309 -19.767 -78.443 1.00 39.99 O +ATOM 608 OD2 ASP B 40 -19.389 -19.973 -79.490 1.00 38.36 O +ATOM 609 N MET B 41 -18.041 -16.145 -78.234 1.00 28.40 N +ATOM 610 CA MET B 41 -18.041 -14.955 -79.089 1.00 28.28 C +ATOM 611 C MET B 41 -16.693 -14.833 -79.803 1.00 28.08 C +ATOM 612 O MET B 41 -16.632 -14.523 -80.991 1.00 27.57 O +ATOM 613 CB MET B 41 -18.274 -13.691 -78.257 1.00 30.65 C +ATOM 614 CG MET B 41 -19.651 -13.569 -77.636 1.00 33.21 C +ATOM 615 SD MET B 41 -19.787 -12.077 -76.637 1.00 38.20 S +ATOM 616 CE MET B 41 -19.781 -10.787 -77.898 1.00 35.32 C +ATOM 617 N SER B 42 -15.607 -15.069 -79.075 1.00 27.33 N +ATOM 618 CA SER B 42 -14.287 -14.992 -79.685 1.00 27.29 C +ATOM 619 C SER B 42 -14.217 -16.016 -80.806 1.00 26.61 C +ATOM 620 O SER B 42 -13.657 -15.751 -81.872 1.00 26.57 O +ATOM 621 CB SER B 42 -13.215 -15.287 -78.650 1.00 28.52 C +ATOM 622 OG SER B 42 -13.332 -14.384 -77.569 1.00 35.14 O +ATOM 623 N SER B 43 -14.800 -17.184 -80.557 1.00 25.62 N +ATOM 624 CA SER B 43 -14.818 -18.259 -81.534 1.00 26.66 C +ATOM 625 C SER B 43 -15.446 -17.773 -82.834 1.00 26.96 C +ATOM 626 O SER B 43 -14.889 -17.960 -83.917 1.00 25.94 O +ATOM 627 CB SER B 43 -15.612 -19.446 -80.993 1.00 27.61 C +ATOM 628 OG SER B 43 -15.521 -20.552 -81.872 1.00 31.85 O +ATOM 629 N ARG B 44 -16.613 -17.151 -82.715 1.00 25.45 N +ATOM 630 CA ARG B 44 -17.329 -16.631 -83.872 1.00 23.37 C +ATOM 631 C ARG B 44 -16.533 -15.521 -84.559 1.00 22.85 C +ATOM 632 O ARG B 44 -16.441 -15.480 -85.786 1.00 24.49 O +ATOM 633 CB ARG B 44 -18.692 -16.099 -83.434 1.00 22.16 C +ATOM 634 CG ARG B 44 -19.503 -17.098 -82.640 1.00 25.31 C +ATOM 635 CD ARG B 44 -20.745 -16.457 -82.009 1.00 26.91 C +ATOM 636 NE ARG B 44 -21.734 -16.031 -82.997 1.00 28.65 N +ATOM 637 CZ ARG B 44 -22.872 -15.407 -82.693 1.00 30.77 C +ATOM 638 NH1 ARG B 44 -23.164 -15.132 -81.425 1.00 30.83 N +ATOM 639 NH2 ARG B 44 -23.723 -15.060 -83.651 1.00 28.34 N +ATOM 640 N ILE B 45 -15.955 -14.615 -83.779 1.00 21.87 N +ATOM 641 CA ILE B 45 -15.174 -13.539 -84.372 1.00 22.61 C +ATOM 642 C ILE B 45 -14.004 -14.116 -85.173 1.00 22.22 C +ATOM 643 O ILE B 45 -13.688 -13.632 -86.262 1.00 22.24 O +ATOM 644 CB ILE B 45 -14.617 -12.586 -83.311 1.00 21.78 C +ATOM 645 CG1 ILE B 45 -15.758 -12.017 -82.459 1.00 22.93 C +ATOM 646 CG2 ILE B 45 -13.844 -11.463 -84.001 1.00 22.95 C +ATOM 647 CD1 ILE B 45 -15.305 -11.155 -81.283 1.00 20.09 C +ATOM 648 N ASP B 46 -13.358 -15.145 -84.628 1.00 22.90 N +ATOM 649 CA ASP B 46 -12.244 -15.775 -85.325 1.00 24.22 C +ATOM 650 C ASP B 46 -12.707 -16.212 -86.716 1.00 24.54 C +ATOM 651 O ASP B 46 -12.069 -15.915 -87.725 1.00 24.49 O +ATOM 652 CB ASP B 46 -11.744 -17.012 -84.565 1.00 25.52 C +ATOM 653 CG ASP B 46 -10.925 -16.669 -83.326 1.00 26.54 C +ATOM 654 OD1 ASP B 46 -10.460 -15.519 -83.190 1.00 28.33 O +ATOM 655 OD2 ASP B 46 -10.729 -17.580 -82.491 1.00 27.26 O +ATOM 656 N ASP B 47 -13.830 -16.919 -86.759 1.00 26.27 N +ATOM 657 CA ASP B 47 -14.375 -17.418 -88.012 1.00 28.21 C +ATOM 658 C ASP B 47 -14.778 -16.305 -88.975 1.00 28.28 C +ATOM 659 O ASP B 47 -14.611 -16.438 -90.190 1.00 27.99 O +ATOM 660 CB ASP B 47 -15.565 -18.339 -87.729 1.00 30.35 C +ATOM 661 CG ASP B 47 -15.146 -19.635 -87.066 1.00 32.81 C +ATOM 662 OD1 ASP B 47 -16.035 -20.448 -86.730 1.00 34.83 O +ATOM 663 OD2 ASP B 47 -13.923 -19.840 -86.883 1.00 36.38 O +ATOM 664 N LEU B 48 -15.324 -15.220 -88.434 1.00 27.56 N +ATOM 665 CA LEU B 48 -15.718 -14.087 -89.260 1.00 27.11 C +ATOM 666 C LEU B 48 -14.477 -13.492 -89.921 1.00 27.67 C +ATOM 667 O LEU B 48 -14.479 -13.220 -91.118 1.00 27.30 O +ATOM 668 CB LEU B 48 -16.413 -13.014 -88.413 1.00 27.06 C +ATOM 669 CG LEU B 48 -17.897 -13.235 -88.107 1.00 26.02 C +ATOM 670 CD1 LEU B 48 -18.375 -12.232 -87.057 1.00 24.60 C +ATOM 671 CD2 LEU B 48 -18.695 -13.099 -89.406 1.00 25.23 C +ATOM 672 N GLU B 49 -13.416 -13.298 -89.141 1.00 27.40 N +ATOM 673 CA GLU B 49 -12.184 -12.727 -89.676 1.00 28.79 C +ATOM 674 C GLU B 49 -11.560 -13.668 -90.682 1.00 29.72 C +ATOM 675 O GLU B 49 -10.969 -13.227 -91.664 1.00 27.54 O +ATOM 676 CB GLU B 49 -11.179 -12.466 -88.563 1.00 29.53 C +ATOM 677 CG GLU B 49 -11.734 -11.638 -87.429 1.00 31.71 C +ATOM 678 CD GLU B 49 -10.723 -11.444 -86.317 1.00 32.53 C +ATOM 679 OE1 GLU B 49 -10.027 -12.430 -85.972 1.00 27.65 O +ATOM 680 OE2 GLU B 49 -10.633 -10.310 -85.788 1.00 29.57 O +ATOM 681 N LYS B 50 -11.687 -14.969 -90.422 1.00 31.48 N +ATOM 682 CA LYS B 50 -11.141 -15.985 -91.314 1.00 32.65 C +ATOM 683 C LYS B 50 -11.868 -15.994 -92.648 1.00 33.70 C +ATOM 684 O LYS B 50 -11.246 -16.095 -93.704 1.00 31.98 O +ATOM 685 CB LYS B 50 -11.252 -17.368 -90.681 1.00 34.41 C +ATOM 686 CG LYS B 50 -10.340 -17.607 -89.490 1.00 35.76 C +ATOM 687 CD LYS B 50 -10.488 -19.040 -89.039 1.00 35.96 C +ATOM 688 CE LYS B 50 -9.468 -19.411 -88.002 1.00 37.05 C +ATOM 689 NZ LYS B 50 -9.382 -20.892 -87.909 1.00 38.06 N +ATOM 690 N ASN B 51 -13.189 -15.888 -92.591 1.00 35.08 N +ATOM 691 CA ASN B 51 -14.000 -15.878 -93.790 1.00 38.07 C +ATOM 692 C ASN B 51 -13.761 -14.682 -94.711 1.00 39.68 C +ATOM 693 O ASN B 51 -13.492 -14.864 -95.901 1.00 39.94 O +ATOM 694 CB ASN B 51 -15.480 -15.938 -93.424 1.00 40.01 C +ATOM 695 CG ASN B 51 -16.193 -17.090 -94.104 1.00 44.04 C +ATOM 696 OD1 ASN B 51 -17.295 -16.930 -94.666 1.00 46.16 O +ATOM 697 ND2 ASN B 51 -15.574 -18.277 -94.053 1.00 46.20 N +ATOM 698 N ILE B 52 -13.864 -13.464 -94.193 1.00 41.06 N +ATOM 699 CA ILE B 52 -13.649 -12.322 -95.064 1.00 43.57 C +ATOM 700 C ILE B 52 -12.247 -12.386 -95.642 1.00 45.31 C +ATOM 701 O ILE B 52 -12.047 -12.039 -96.801 1.00 46.47 O +ATOM 702 CB ILE B 52 -13.834 -10.963 -94.339 1.00 43.70 C +ATOM 703 CG1 ILE B 52 -12.707 -10.731 -93.337 1.00 45.26 C +ATOM 704 CG2 ILE B 52 -15.173 -10.918 -93.641 1.00 44.32 C +ATOM 705 CD1 ILE B 52 -12.807 -9.414 -92.604 1.00 46.39 C +ATOM 706 N ALA B 53 -11.283 -12.840 -94.843 1.00 46.04 N +ATOM 707 CA ALA B 53 -9.913 -12.930 -95.316 1.00 46.12 C +ATOM 708 C ALA B 53 -9.811 -13.976 -96.414 1.00 47.35 C +ATOM 709 O ALA B 53 -10.667 -14.899 -96.433 1.00 47.71 O +ATOM 710 CB ALA B 53 -8.989 -13.275 -94.170 1.00 44.10 C +ATOM 711 OXT ALA B 53 -8.878 -13.851 -97.238 1.00 48.08 O Added: SwiftApps/modFTdock/input/3eq5-1.pdb =================================================================== --- SwiftApps/modFTdock/input/3eq5-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/3eq5-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,796 @@ +ATOM 1 N SER A 135 3.430 -19.028 65.738 1.00 4.33 N +ATOM 2 CA SER A 135 2.008 -19.467 65.677 1.00 4.18 C +ATOM 3 C SER A 135 1.917 -20.928 65.242 1.00 4.15 C +ATOM 4 O SER A 135 2.875 -21.486 64.704 1.00 4.29 O +ATOM 5 CB SER A 135 1.231 -18.587 64.699 1.00 4.25 C +ATOM 6 OG SER A 135 1.695 -18.771 63.370 1.00 4.12 O +ATOM 7 N MET A 136 0.759 -21.538 65.472 1.00 3.93 N +ATOM 8 CA MET A 136 0.528 -22.928 65.082 1.00 3.77 C +ATOM 9 C MET A 136 -0.071 -22.969 63.678 1.00 3.56 C +ATOM 10 O MET A 136 -0.713 -22.014 63.257 1.00 3.39 O +ATOM 11 CB MET A 136 -0.417 -23.608 66.074 1.00 3.93 C +ATOM 12 CG MET A 136 0.019 -23.513 67.537 1.00 4.13 C +ATOM 13 SD MET A 136 1.449 -24.539 67.940 1.00 4.60 S +ATOM 14 CE MET A 136 0.723 -26.175 67.863 1.00 4.34 C +ATOM 15 N PRO A 137 0.147 -24.070 62.937 1.00 3.56 N +ATOM 16 CA PRO A 137 -0.443 -24.215 61.598 1.00 3.59 C +ATOM 17 C PRO A 137 -1.967 -24.098 61.581 1.00 3.61 C +ATOM 18 O PRO A 137 -2.532 -23.519 60.652 1.00 3.91 O +ATOM 19 CB PRO A 137 -0.024 -25.627 61.177 1.00 3.57 C +ATOM 20 CG PRO A 137 1.183 -25.916 61.949 1.00 3.33 C +ATOM 21 CD PRO A 137 1.070 -25.175 63.247 1.00 3.52 C +ATOM 22 N SER A 138 -2.617 -24.639 62.609 1.00 3.43 N +ATOM 23 CA SER A 138 -4.072 -24.576 62.730 1.00 3.21 C +ATOM 24 C SER A 138 -4.622 -23.168 62.999 1.00 3.21 C +ATOM 25 O SER A 138 -5.836 -22.964 62.925 1.00 3.15 O +ATOM 26 CB SER A 138 -4.550 -25.512 63.844 1.00 3.14 C +ATOM 27 OG SER A 138 -4.274 -26.862 63.528 1.00 3.18 O +ATOM 28 N ASP A 139 -3.754 -22.212 63.328 1.00 3.03 N +ATOM 29 CA ASP A 139 -4.193 -20.844 63.624 1.00 3.14 C +ATOM 30 C ASP A 139 -4.811 -20.123 62.425 1.00 3.12 C +ATOM 31 O ASP A 139 -5.593 -19.195 62.597 1.00 2.98 O +ATOM 32 CB ASP A 139 -3.038 -20.000 64.179 1.00 3.13 C +ATOM 33 CG ASP A 139 -2.663 -20.372 65.606 1.00 3.44 C +ATOM 34 OD1 ASP A 139 -1.811 -19.670 66.192 1.00 4.42 O +ATOM 35 OD2 ASP A 139 -3.206 -21.357 66.149 1.00 3.99 O +ATOM 36 N SER A 140 -4.449 -20.537 61.218 1.00 3.36 N +ATOM 37 CA SER A 140 -4.987 -19.923 60.012 1.00 3.53 C +ATOM 38 C SER A 140 -5.208 -20.938 58.903 1.00 3.45 C +ATOM 39 O SER A 140 -4.434 -21.890 58.744 1.00 3.54 O +ATOM 40 CB SER A 140 -4.054 -18.820 59.504 1.00 3.60 C +ATOM 41 OG SER A 140 -4.520 -18.308 58.264 1.00 3.99 O +ATOM 42 N SER A 141 -6.276 -20.712 58.144 1.00 3.35 N +ATOM 43 CA SER A 141 -6.570 -21.474 56.933 1.00 3.21 C +ATOM 44 C SER A 141 -6.465 -20.577 55.703 1.00 3.06 C +ATOM 45 O SER A 141 -6.897 -20.958 54.618 1.00 2.94 O +ATOM 46 CB SER A 141 -7.982 -22.060 57.015 1.00 3.21 C +ATOM 47 OG SER A 141 -8.961 -21.051 56.836 1.00 2.76 O +ATOM 48 N THR A 142 -5.906 -19.383 55.887 1.00 3.09 N +ATOM 49 CA THR A 142 -5.780 -18.404 54.814 1.00 3.26 C +ATOM 50 C THR A 142 -4.316 -18.022 54.562 1.00 3.49 C +ATOM 51 O THR A 142 -4.031 -17.052 53.858 1.00 3.73 O +ATOM 52 CB THR A 142 -6.627 -17.143 55.121 1.00 3.34 C +ATOM 53 OG1 THR A 142 -6.195 -16.554 56.354 1.00 3.12 O +ATOM 54 CG2 THR A 142 -8.125 -17.501 55.217 1.00 2.89 C +ATOM 55 N GLU A 143 -3.393 -18.790 55.134 1.00 3.63 N +ATOM 56 CA GLU A 143 -1.971 -18.608 54.877 1.00 3.81 C +ATOM 57 C GLU A 143 -1.551 -19.583 53.802 1.00 3.63 C +ATOM 58 O GLU A 143 -1.494 -20.787 54.041 1.00 3.60 O +ATOM 59 CB GLU A 143 -1.135 -18.820 56.146 1.00 3.97 C +ATOM 60 CG GLU A 143 -0.846 -17.527 56.887 1.00 4.84 C +ATOM 61 CD GLU A 143 -0.317 -17.744 58.289 1.00 5.89 C +ATOM 62 OE1 GLU A 143 -0.913 -17.181 59.240 1.00 6.75 O +ATOM 63 OE2 GLU A 143 0.687 -18.472 58.439 1.00 6.65 O +ATOM 64 N LEU A 144 -1.271 -19.053 52.614 1.00 3.67 N +ATOM 65 CA LEU A 144 -0.817 -19.869 51.500 1.00 3.50 C +ATOM 66 C LEU A 144 0.612 -20.256 51.748 1.00 3.45 C +ATOM 67 O LEU A 144 1.465 -19.391 51.941 1.00 3.72 O +ATOM 68 CB LEU A 144 -0.912 -19.123 50.167 1.00 3.34 C +ATOM 69 CG LEU A 144 -0.737 -20.025 48.940 1.00 3.06 C +ATOM 70 CD1 LEU A 144 -1.897 -21.001 48.821 1.00 3.14 C +ATOM 71 CD2 LEU A 144 -0.612 -19.195 47.680 1.00 3.03 C +ATOM 72 N THR A 145 0.857 -21.561 51.747 1.00 3.50 N +ATOM 73 CA ATHR A 145 2.212 -22.096 51.881 0.50 3.60 C +ATOM 74 CA BTHR A 145 2.196 -22.122 51.908 0.50 3.47 C +ATOM 75 C THR A 145 2.528 -22.935 50.651 1.00 3.52 C +ATOM 76 O THR A 145 1.672 -23.128 49.790 1.00 3.73 O +ATOM 77 CB ATHR A 145 2.367 -22.952 53.159 0.50 3.59 C +ATOM 78 CB BTHR A 145 2.249 -22.985 53.204 0.50 3.43 C +ATOM 79 OG1ATHR A 145 3.756 -23.127 53.453 0.50 3.97 O +ATOM 80 OG1BTHR A 145 2.628 -22.160 54.314 0.50 2.97 O +ATOM 81 CG2ATHR A 145 1.708 -24.316 52.992 0.50 3.64 C +ATOM 82 CG2BTHR A 145 3.222 -24.141 53.091 0.50 3.38 C +ATOM 83 N GLN A 146 3.764 -23.402 50.540 1.00 3.48 N +ATOM 84 CA GLN A 146 4.133 -24.279 49.441 1.00 3.41 C +ATOM 85 C GLN A 146 4.749 -25.567 49.971 1.00 3.19 C +ATOM 86 O GLN A 146 5.388 -25.565 51.017 1.00 3.16 O +ATOM 87 CB GLN A 146 5.065 -23.555 48.472 1.00 3.57 C +ATOM 88 CG GLN A 146 4.355 -22.428 47.721 1.00 3.63 C +ATOM 89 CD GLN A 146 5.213 -21.776 46.657 1.00 4.24 C +ATOM 90 OE1 GLN A 146 6.309 -22.244 46.345 1.00 4.02 O +ATOM 91 NE2 GLN A 146 4.710 -20.685 46.083 1.00 4.40 N +ATOM 92 N THR A 147 4.507 -26.667 49.263 1.00 3.03 N +ATOM 93 CA THR A 147 5.049 -27.973 49.635 1.00 3.07 C +ATOM 94 C THR A 147 5.381 -28.769 48.377 1.00 2.97 C +ATOM 95 O THR A 147 4.753 -28.572 47.338 1.00 2.91 O +ATOM 96 CB THR A 147 4.070 -28.764 50.535 1.00 3.05 C +ATOM 97 OG1 THR A 147 4.762 -29.841 51.174 1.00 3.00 O +ATOM 98 CG2 THR A 147 2.907 -29.320 49.734 1.00 3.33 C +ATOM 99 N VAL A 148 6.368 -29.657 48.474 1.00 2.87 N +ATOM 100 CA VAL A 148 6.847 -30.406 47.314 1.00 2.87 C +ATOM 101 C VAL A 148 6.057 -31.696 47.080 1.00 2.93 C +ATOM 102 O VAL A 148 5.816 -32.463 48.008 1.00 2.99 O +ATOM 103 CB VAL A 148 8.356 -30.754 47.430 1.00 2.89 C +ATOM 104 CG1 VAL A 148 8.828 -31.472 46.175 1.00 2.40 C +ATOM 105 CG2 VAL A 148 9.185 -29.499 47.663 1.00 2.50 C +ATOM 106 N LEU A 149 5.676 -31.924 45.824 1.00 3.03 N +ATOM 107 CA LEU A 149 4.980 -33.141 45.400 1.00 3.09 C +ATOM 108 C LEU A 149 5.499 -33.572 44.028 1.00 3.25 C +ATOM 109 O LEU A 149 5.280 -32.884 43.031 1.00 3.31 O +ATOM 110 CB LEU A 149 3.476 -32.882 45.327 1.00 3.01 C +ATOM 111 CG LEU A 149 2.559 -34.051 44.964 1.00 2.85 C +ATOM 112 CD1 LEU A 149 2.559 -35.109 46.055 1.00 2.46 C +ATOM 113 CD2 LEU A 149 1.148 -33.541 44.720 1.00 2.43 C +ATOM 114 N GLU A 150 6.187 -34.709 43.981 1.00 3.32 N +ATOM 115 CA GLU A 150 6.798 -35.210 42.743 1.00 3.45 C +ATOM 116 C GLU A 150 7.733 -34.166 42.115 1.00 3.49 C +ATOM 117 O GLU A 150 7.722 -33.957 40.901 1.00 3.45 O +ATOM 118 CB GLU A 150 5.722 -35.651 41.736 1.00 3.41 C +ATOM 119 CG GLU A 150 4.743 -36.698 42.264 1.00 3.55 C +ATOM 120 CD GLU A 150 5.413 -38.008 42.652 1.00 3.95 C +ATOM 121 OE1 GLU A 150 6.431 -38.379 42.026 1.00 4.23 O +ATOM 122 OE2 GLU A 150 4.918 -38.675 43.586 1.00 4.17 O +ATOM 123 N GLY A 151 8.533 -33.513 42.957 1.00 3.58 N +ATOM 124 CA GLY A 151 9.478 -32.484 42.510 1.00 3.65 C +ATOM 125 C GLY A 151 8.823 -31.183 42.067 1.00 3.71 C +ATOM 126 O GLY A 151 9.454 -30.353 41.418 1.00 3.82 O +ATOM 127 N GLU A 152 7.559 -31.003 42.429 1.00 3.74 N +ATOM 128 CA GLU A 152 6.789 -29.839 42.021 1.00 3.83 C +ATOM 129 C GLU A 152 6.379 -29.082 43.270 1.00 3.73 C +ATOM 130 O GLU A 152 5.937 -29.689 44.243 1.00 3.61 O +ATOM 131 CB GLU A 152 5.539 -30.281 41.267 1.00 3.96 C +ATOM 132 CG GLU A 152 5.090 -29.325 40.179 1.00 4.54 C +ATOM 133 CD GLU A 152 5.552 -29.756 38.809 1.00 5.52 C +ATOM 134 OE1 GLU A 152 6.095 -28.903 38.074 1.00 7.20 O +ATOM 135 OE2 GLU A 152 5.382 -30.951 38.468 1.00 5.54 O +ATOM 136 N SER A 153 6.521 -27.762 43.241 1.00 3.64 N +ATOM 137 CA SER A 153 6.193 -26.930 44.392 1.00 3.71 C +ATOM 138 C SER A 153 4.724 -26.485 44.318 1.00 3.63 C +ATOM 139 O SER A 153 4.396 -25.542 43.600 1.00 3.55 O +ATOM 140 CB SER A 153 7.139 -25.730 44.449 1.00 3.73 C +ATOM 141 OG SER A 153 6.877 -24.922 45.580 1.00 4.34 O +ATOM 142 N ILE A 154 3.855 -27.179 45.057 1.00 3.56 N +ATOM 143 CA ILE A 154 2.402 -26.946 45.023 1.00 3.57 C +ATOM 144 C ILE A 154 1.949 -26.040 46.173 1.00 3.60 C +ATOM 145 O ILE A 154 2.362 -26.226 47.315 1.00 3.64 O +ATOM 146 CB ILE A 154 1.617 -28.279 45.145 1.00 3.58 C +ATOM 147 CG1 ILE A 154 2.026 -29.270 44.055 1.00 3.60 C +ATOM 148 CG2 ILE A 154 0.113 -28.033 45.091 1.00 3.61 C +ATOM 149 CD1 ILE A 154 1.605 -28.872 42.658 1.00 3.76 C +ATOM 150 N SER A 155 1.078 -25.081 45.876 1.00 3.70 N +ATOM 151 CA SER A 155 0.551 -24.169 46.900 1.00 3.67 C +ATOM 152 C SER A 155 -0.460 -24.887 47.803 1.00 3.74 C +ATOM 153 O SER A 155 -1.149 -25.798 47.348 1.00 3.78 O +ATOM 154 CB SER A 155 -0.082 -22.944 46.246 1.00 3.66 C +ATOM 155 OG SER A 155 0.902 -22.149 45.602 1.00 3.27 O +ATOM 156 N CYS A 156 -0.538 -24.482 49.074 1.00 3.75 N +ATOM 157 CA ACYS A 156 -1.369 -25.172 50.071 0.50 3.81 C +ATOM 158 CA BCYS A 156 -1.422 -25.153 50.025 0.50 3.80 C +ATOM 159 C CYS A 156 -1.960 -24.245 51.130 1.00 3.86 C +ATOM 160 O CYS A 156 -1.379 -23.209 51.440 1.00 4.12 O +ATOM 161 CB ACYS A 156 -0.539 -26.225 50.811 0.50 3.81 C +ATOM 162 CB BCYS A 156 -0.720 -26.376 50.641 0.50 3.82 C +ATOM 163 SG ACYS A 156 0.309 -27.413 49.769 0.50 3.67 S +ATOM 164 SG BCYS A 156 0.950 -26.091 51.295 0.50 3.56 S +ATOM 165 N PHE A 157 -3.100 -24.654 51.692 1.00 3.78 N +ATOM 166 CA PHE A 157 -3.674 -24.070 52.911 1.00 3.80 C +ATOM 167 C PHE A 157 -3.742 -25.163 53.977 1.00 3.74 C +ATOM 168 O PHE A 157 -3.821 -26.344 53.651 1.00 3.95 O +ATOM 169 CB PHE A 157 -5.103 -23.565 52.688 1.00 3.68 C +ATOM 170 CG PHE A 157 -5.206 -22.414 51.737 1.00 3.37 C +ATOM 171 CD1 PHE A 157 -5.613 -22.613 50.423 1.00 2.42 C +ATOM 172 CD2 PHE A 157 -4.907 -21.129 52.154 1.00 3.03 C +ATOM 173 CE1 PHE A 157 -5.713 -21.557 49.545 1.00 2.12 C +ATOM 174 CE2 PHE A 157 -5.005 -20.065 51.272 1.00 3.01 C +ATOM 175 CZ PHE A 157 -5.412 -20.284 49.964 1.00 2.33 C +ATOM 176 N GLN A 158 -3.731 -24.770 55.247 1.00 3.66 N +ATOM 177 CA GLN A 158 -4.004 -25.705 56.339 1.00 3.51 C +ATOM 178 C GLN A 158 -5.501 -25.667 56.643 1.00 3.55 C +ATOM 179 O GLN A 158 -6.016 -24.641 57.064 1.00 3.57 O +ATOM 180 CB GLN A 158 -3.199 -25.336 57.579 1.00 3.36 C +ATOM 181 CG GLN A 158 -3.142 -26.436 58.630 1.00 3.36 C +ATOM 182 CD GLN A 158 -2.137 -27.543 58.310 1.00 3.25 C +ATOM 183 OE1 GLN A 158 -1.324 -27.427 57.389 1.00 2.76 O +ATOM 184 NE2 GLN A 158 -2.195 -28.625 59.081 1.00 2.57 N +ATOM 185 N VAL A 159 -6.198 -26.776 56.405 1.00 3.67 N +ATOM 186 CA VAL A 159 -7.639 -26.858 56.660 1.00 3.71 C +ATOM 187 C VAL A 159 -7.985 -28.114 57.452 1.00 3.76 C +ATOM 188 O VAL A 159 -7.653 -29.227 57.044 1.00 3.75 O +ATOM 189 CB VAL A 159 -8.459 -26.868 55.355 1.00 3.81 C +ATOM 190 CG1 VAL A 159 -9.946 -26.889 55.673 1.00 3.18 C +ATOM 191 CG2 VAL A 159 -8.109 -25.666 54.491 1.00 3.64 C +ATOM 192 N GLY A 160 -8.666 -27.924 58.579 1.00 3.93 N +ATOM 193 CA GLY A 160 -9.023 -29.027 59.473 1.00 3.99 C +ATOM 194 C GLY A 160 -7.852 -29.918 59.861 1.00 4.08 C +ATOM 195 O GLY A 160 -7.990 -31.135 59.899 1.00 4.23 O +ATOM 196 N GLY A 161 -6.693 -29.316 60.119 1.00 4.14 N +ATOM 197 CA GLY A 161 -5.536 -30.043 60.645 1.00 4.02 C +ATOM 198 C GLY A 161 -4.684 -30.788 59.631 1.00 4.06 C +ATOM 199 O GLY A 161 -3.860 -31.621 60.009 1.00 4.04 O +ATOM 200 N GLU A 162 -4.868 -30.496 58.347 1.00 4.15 N +ATOM 201 CA GLU A 162 -4.060 -31.111 57.288 1.00 4.13 C +ATOM 202 C GLU A 162 -3.695 -30.096 56.216 1.00 3.99 C +ATOM 203 O GLU A 162 -4.484 -29.193 55.927 1.00 3.89 O +ATOM 204 CB GLU A 162 -4.825 -32.267 56.640 1.00 4.28 C +ATOM 205 CG GLU A 162 -4.945 -33.500 57.510 1.00 4.64 C +ATOM 206 CD GLU A 162 -5.762 -34.598 56.854 1.00 5.45 C +ATOM 207 OE1 GLU A 162 -6.988 -34.408 56.690 1.00 5.78 O +ATOM 208 OE2 GLU A 162 -5.179 -35.653 56.509 1.00 6.07 O +ATOM 209 N LYS A 163 -2.501 -30.249 55.639 1.00 3.81 N +ATOM 210 CA LYS A 163 -2.108 -29.493 54.456 1.00 3.86 C +ATOM 211 C LYS A 163 -2.992 -29.949 53.304 1.00 3.70 C +ATOM 212 O LYS A 163 -3.095 -31.149 53.030 1.00 3.55 O +ATOM 213 CB LYS A 163 -0.633 -29.742 54.067 1.00 3.97 C +ATOM 214 CG LYS A 163 0.421 -29.026 54.915 1.00 4.47 C +ATOM 215 CD LYS A 163 1.816 -29.153 54.286 1.00 4.75 C +ATOM 216 CE LYS A 163 2.919 -28.757 55.255 1.00 5.22 C +ATOM 217 NZ LYS A 163 4.291 -29.120 54.768 1.00 5.64 N +ATOM 218 N ARG A 164 -3.614 -28.991 52.626 1.00 3.58 N +ATOM 219 CA ARG A 164 -4.442 -29.284 51.463 1.00 3.61 C +ATOM 220 C ARG A 164 -3.951 -28.523 50.227 1.00 3.44 C +ATOM 221 O ARG A 164 -3.804 -27.305 50.250 1.00 3.18 O +ATOM 222 CB ARG A 164 -5.907 -28.984 51.773 1.00 3.62 C +ATOM 223 CG ARG A 164 -6.357 -29.607 53.087 1.00 3.81 C +ATOM 224 CD ARG A 164 -7.815 -30.041 53.072 1.00 4.10 C +ATOM 225 NE ARG A 164 -8.256 -30.439 54.407 1.00 4.15 N +ATOM 226 CZ ARG A 164 -9.323 -31.190 54.671 1.00 4.89 C +ATOM 227 NH1 ARG A 164 -10.102 -31.654 53.696 1.00 5.57 N +ATOM 228 NH2 ARG A 164 -9.619 -31.480 55.930 1.00 5.30 N +ATOM 229 N LEU A 165 -3.704 -29.271 49.154 1.00 3.44 N +ATOM 230 CA LEU A 165 -3.019 -28.770 47.967 1.00 3.37 C +ATOM 231 C LEU A 165 -4.007 -28.241 46.938 1.00 3.42 C +ATOM 232 O LEU A 165 -5.129 -28.728 46.843 1.00 3.42 O +ATOM 233 CB LEU A 165 -2.192 -29.893 47.341 1.00 3.29 C +ATOM 234 CG LEU A 165 -0.906 -30.320 48.059 1.00 3.38 C +ATOM 235 CD1 LEU A 165 -1.151 -30.728 49.503 1.00 2.94 C +ATOM 236 CD2 LEU A 165 -0.223 -31.444 47.288 1.00 2.82 C +ATOM 237 N CYS A 166 -3.571 -27.249 46.165 1.00 3.49 N +ATOM 238 CA CYS A 166 -4.369 -26.681 45.077 1.00 3.59 C +ATOM 239 C CYS A 166 -4.575 -27.709 43.959 1.00 3.61 C +ATOM 240 O CYS A 166 -3.672 -27.966 43.169 1.00 3.55 O +ATOM 241 CB CYS A 166 -3.691 -25.421 44.528 1.00 3.51 C +ATOM 242 SG CYS A 166 -4.545 -24.637 43.131 1.00 4.67 S +ATOM 243 N LEU A 167 -5.776 -28.283 43.894 1.00 3.73 N +ATOM 244 CA LEU A 167 -6.054 -29.416 42.998 1.00 3.72 C +ATOM 245 C LEU A 167 -5.683 -29.181 41.527 1.00 3.71 C +ATOM 246 O LEU A 167 -5.113 -30.072 40.900 1.00 3.78 O +ATOM 247 CB LEU A 167 -7.518 -29.867 43.121 1.00 3.68 C +ATOM 248 CG LEU A 167 -7.916 -31.138 42.357 1.00 3.66 C +ATOM 249 CD1 LEU A 167 -7.089 -32.352 42.808 1.00 3.40 C +ATOM 250 CD2 LEU A 167 -9.406 -31.406 42.515 1.00 2.98 C +ATOM 251 N PRO A 168 -6.000 -27.994 40.970 1.00 3.75 N +ATOM 252 CA PRO A 168 -5.627 -27.716 39.581 1.00 3.78 C +ATOM 253 C PRO A 168 -4.138 -27.885 39.275 1.00 3.88 C +ATOM 254 O PRO A 168 -3.792 -28.335 38.184 1.00 4.10 O +ATOM 255 CB PRO A 168 -6.051 -26.258 39.392 1.00 3.79 C +ATOM 256 CG PRO A 168 -7.180 -26.084 40.298 1.00 3.69 C +ATOM 257 CD PRO A 168 -6.867 -26.931 41.508 1.00 3.80 C +ATOM 258 N GLN A 169 -3.273 -27.519 40.218 1.00 3.97 N +ATOM 259 CA GLN A 169 -1.826 -27.706 40.047 1.00 3.94 C +ATOM 260 C GLN A 169 -1.450 -29.176 40.037 1.00 3.85 C +ATOM 261 O GLN A 169 -0.564 -29.580 39.290 1.00 4.11 O +ATOM 262 CB GLN A 169 -1.034 -27.004 41.153 1.00 4.09 C +ATOM 263 CG GLN A 169 -1.005 -25.491 41.045 1.00 4.40 C +ATOM 264 CD GLN A 169 -0.149 -24.855 42.126 1.00 4.76 C +ATOM 265 OE1 GLN A 169 -0.307 -25.146 43.315 1.00 4.78 O +ATOM 266 NE2 GLN A 169 0.759 -23.980 41.718 1.00 4.69 N +ATOM 267 N VAL A 170 -2.109 -29.973 40.875 1.00 3.71 N +ATOM 268 CA VAL A 170 -1.839 -31.412 40.929 1.00 3.59 C +ATOM 269 C VAL A 170 -2.324 -32.112 39.653 1.00 3.67 C +ATOM 270 O VAL A 170 -1.592 -32.908 39.064 1.00 3.82 O +ATOM 271 CB VAL A 170 -2.476 -32.077 42.172 1.00 3.56 C +ATOM 272 CG1 VAL A 170 -2.237 -33.582 42.160 1.00 3.13 C +ATOM 273 CG2 VAL A 170 -1.917 -31.465 43.447 1.00 3.21 C +ATOM 274 N LEU A 171 -3.543 -31.799 39.224 1.00 3.67 N +ATOM 275 CA LEU A 171 -4.132 -32.418 38.032 1.00 3.69 C +ATOM 276 C LEU A 171 -3.452 -31.993 36.732 1.00 3.65 C +ATOM 277 O LEU A 171 -3.109 -32.837 35.905 1.00 3.64 O +ATOM 278 CB LEU A 171 -5.629 -32.098 37.939 1.00 3.70 C +ATOM 279 CG LEU A 171 -6.518 -32.628 39.067 1.00 3.89 C +ATOM 280 CD1 LEU A 171 -7.955 -32.153 38.878 1.00 3.93 C +ATOM 281 CD2 LEU A 171 -6.455 -34.147 39.146 1.00 3.98 C +ATOM 282 N ASN A 172 -3.260 -30.690 36.551 1.00 3.64 N +ATOM 283 CA ASN A 172 -2.797 -30.158 35.264 1.00 3.66 C +ATOM 284 C ASN A 172 -1.283 -30.052 35.123 1.00 3.60 C +ATOM 285 O ASN A 172 -0.792 -29.657 34.068 1.00 3.63 O +ATOM 286 CB ASN A 172 -3.443 -28.802 34.988 1.00 3.64 C +ATOM 287 CG ASN A 172 -4.956 -28.875 34.980 1.00 3.97 C +ATOM 288 OD1 ASN A 172 -5.540 -29.867 34.535 1.00 3.91 O +ATOM 289 ND2 ASN A 172 -5.602 -27.826 35.479 1.00 4.49 N +ATOM 290 N SER A 173 -0.547 -30.400 36.174 1.00 3.62 N +ATOM 291 CA SER A 173 0.915 -30.421 36.106 1.00 3.69 C +ATOM 292 C SER A 173 1.484 -31.774 36.545 1.00 3.55 C +ATOM 293 O SER A 173 1.999 -32.520 35.717 1.00 3.64 O +ATOM 294 CB SER A 173 1.516 -29.276 36.927 1.00 3.79 C +ATOM 295 OG SER A 173 2.911 -29.175 36.698 1.00 3.88 O +ATOM 296 N VAL A 174 1.371 -32.097 37.830 0.60 3.41 N +ATOM 297 CA VAL A 174 1.962 -33.326 38.374 0.60 3.27 C +ATOM 298 C VAL A 174 1.353 -34.595 37.767 0.60 3.23 C +ATOM 299 O VAL A 174 2.061 -35.575 37.544 0.60 3.11 O +ATOM 300 CB VAL A 174 1.839 -33.373 39.917 0.60 3.24 C +ATOM 301 CG1 VAL A 174 2.306 -34.715 40.466 0.60 3.03 C +ATOM 302 CG2 VAL A 174 2.637 -32.242 40.539 0.60 3.12 C +ATOM 303 N LEU A 175 0.050 -34.568 37.495 1.00 3.23 N +ATOM 304 CA LEU A 175 -0.654 -35.729 36.935 1.00 3.28 C +ATOM 305 C LEU A 175 -1.239 -35.463 35.543 1.00 3.27 C +ATOM 306 O LEU A 175 -2.267 -36.038 35.178 1.00 3.22 O +ATOM 307 CB LEU A 175 -1.774 -36.174 37.881 1.00 3.29 C +ATOM 308 CG LEU A 175 -1.379 -36.539 39.312 1.00 3.35 C +ATOM 309 CD1 LEU A 175 -2.623 -36.863 40.133 1.00 3.30 C +ATOM 310 CD2 LEU A 175 -0.410 -37.708 39.325 1.00 3.02 C +ATOM 311 N ARG A 176 -0.577 -34.614 34.759 1.00 3.29 N +ATOM 312 CA ARG A 176 -1.059 -34.270 33.419 1.00 3.32 C +ATOM 313 C ARG A 176 -0.999 -35.455 32.449 1.00 3.44 C +ATOM 314 O ARG A 176 -1.841 -35.560 31.554 1.00 3.44 O +ATOM 315 CB ARG A 176 -0.275 -33.080 32.849 1.00 3.28 C +ATOM 316 CG ARG A 176 -0.735 -32.597 31.463 1.00 3.24 C +ATOM 317 CD ARG A 176 -2.175 -32.076 31.470 1.00 3.09 C +ATOM 318 NE ARG A 176 -2.661 -31.756 30.127 1.00 2.79 N +ATOM 319 CZ ARG A 176 -3.052 -32.654 29.220 1.00 2.67 C +ATOM 320 NH1 ARG A 176 -3.017 -33.957 29.485 1.00 2.55 N +ATOM 321 NH2 ARG A 176 -3.478 -32.246 28.030 1.00 2.48 N +ATOM 322 N GLU A 177 -0.024 -36.348 32.634 1.00 3.49 N +ATOM 323 CA GLU A 177 0.148 -37.507 31.742 1.00 3.60 C +ATOM 324 C GLU A 177 -0.872 -38.631 31.998 1.00 3.48 C +ATOM 325 O GLU A 177 -0.737 -39.730 31.453 1.00 3.43 O +ATOM 326 CB GLU A 177 1.581 -38.059 31.834 1.00 3.71 C +ATOM 327 CG GLU A 177 2.672 -37.113 31.293 1.00 4.20 C +ATOM 328 CD GLU A 177 2.847 -37.149 29.766 1.00 5.14 C +ATOM 329 OE1 GLU A 177 2.558 -38.186 29.122 1.00 5.62 O +ATOM 330 OE2 GLU A 177 3.308 -36.132 29.205 1.00 5.74 O +ATOM 331 N PHE A 178 -1.878 -38.356 32.826 1.00 3.39 N +ATOM 332 CA PHE A 178 -3.007 -39.260 33.028 1.00 3.39 C +ATOM 333 C PHE A 178 -4.315 -38.523 32.753 1.00 3.43 C +ATOM 334 O PHE A 178 -4.458 -37.345 33.096 1.00 3.36 O +ATOM 335 CB PHE A 178 -3.015 -39.798 34.459 1.00 3.38 C +ATOM 336 CG PHE A 178 -1.700 -40.368 34.894 1.00 3.37 C +ATOM 337 CD1 PHE A 178 -1.312 -41.639 34.489 1.00 3.27 C +ATOM 338 CD2 PHE A 178 -0.842 -39.631 35.699 1.00 3.35 C +ATOM 339 CE1 PHE A 178 -0.096 -42.168 34.884 1.00 3.32 C +ATOM 340 CE2 PHE A 178 0.376 -40.153 36.100 1.00 3.38 C +ATOM 341 CZ PHE A 178 0.752 -41.426 35.691 1.00 3.43 C +ATOM 342 N THR A 179 -5.269 -39.225 32.148 1.00 3.46 N +ATOM 343 CA THR A 179 -6.563 -38.634 31.797 1.00 3.48 C +ATOM 344 C THR A 179 -7.414 -38.375 33.040 1.00 3.49 C +ATOM 345 O THR A 179 -7.208 -39.001 34.081 1.00 3.58 O +ATOM 346 CB THR A 179 -7.354 -39.539 30.829 1.00 3.47 C +ATOM 347 OG1 THR A 179 -7.653 -40.787 31.466 1.00 3.48 O +ATOM 348 CG2 THR A 179 -6.552 -39.800 29.565 1.00 3.35 C +ATOM 349 N LEU A 180 -8.366 -37.452 32.928 1.00 3.47 N +ATOM 350 CA LEU A 180 -9.282 -37.156 34.032 1.00 3.46 C +ATOM 351 C LEU A 180 -10.157 -38.359 34.369 1.00 3.53 C +ATOM 352 O LEU A 180 -10.480 -38.584 35.532 1.00 3.63 O +ATOM 353 CB LEU A 180 -10.171 -35.948 33.714 1.00 3.41 C +ATOM 354 CG LEU A 180 -9.545 -34.561 33.861 1.00 3.21 C +ATOM 355 CD1 LEU A 180 -10.553 -33.495 33.467 1.00 2.92 C +ATOM 356 CD2 LEU A 180 -9.050 -34.329 35.278 1.00 3.02 C +ATOM 357 N GLN A 181 -10.540 -39.122 33.349 1.00 3.57 N +ATOM 358 CA GLN A 181 -11.319 -40.343 33.545 1.00 3.60 C +ATOM 359 C GLN A 181 -10.580 -41.326 34.454 1.00 3.64 C +ATOM 360 O GLN A 181 -11.179 -41.918 35.351 1.00 3.66 O +ATOM 361 CB GLN A 181 -11.618 -41.005 32.199 1.00 3.61 C +ATOM 362 CG GLN A 181 -12.508 -42.241 32.283 1.00 3.63 C +ATOM 363 CD GLN A 181 -12.591 -42.989 30.967 1.00 3.57 C +ATOM 364 OE1 GLN A 181 -12.640 -42.383 29.897 1.00 3.62 O +ATOM 365 NE2 GLN A 181 -12.609 -44.315 31.040 1.00 3.34 N +ATOM 366 N GLN A 182 -9.281 -41.491 34.214 1.00 3.67 N +ATOM 367 CA GLN A 182 -8.459 -42.419 34.991 1.00 3.73 C +ATOM 368 C GLN A 182 -8.139 -41.867 36.377 1.00 3.71 C +ATOM 369 O GLN A 182 -8.148 -42.610 37.360 1.00 3.75 O +ATOM 370 CB GLN A 182 -7.160 -42.739 34.248 1.00 3.78 C +ATOM 371 CG GLN A 182 -6.349 -43.867 34.880 1.00 4.04 C +ATOM 372 CD GLN A 182 -5.189 -44.319 34.011 1.00 4.43 C +ATOM 373 OE1 GLN A 182 -4.911 -43.727 32.964 1.00 4.70 O +ATOM 374 NE2 GLN A 182 -4.504 -45.373 34.444 1.00 4.32 N +ATOM 375 N ILE A 183 -7.842 -40.570 36.446 1.00 3.64 N +ATOM 376 CA ILE A 183 -7.607 -39.894 37.722 1.00 3.59 C +ATOM 377 C ILE A 183 -8.805 -40.061 38.657 1.00 3.57 C +ATOM 378 O ILE A 183 -8.638 -40.387 39.834 1.00 3.58 O +ATOM 379 CB ILE A 183 -7.306 -38.386 37.522 1.00 3.63 C +ATOM 380 CG1 ILE A 183 -5.891 -38.195 36.967 1.00 3.57 C +ATOM 381 CG2 ILE A 183 -7.443 -37.623 38.834 1.00 3.47 C +ATOM 382 CD1 ILE A 183 -5.584 -36.771 36.553 1.00 3.37 C +ATOM 383 N ASN A 184 -10.006 -39.845 38.122 1.00 3.50 N +ATOM 384 CA ASN A 184 -11.247 -40.003 38.888 1.00 3.46 C +ATOM 385 C ASN A 184 -11.511 -41.456 39.281 1.00 3.44 C +ATOM 386 O ASN A 184 -12.024 -41.725 40.366 1.00 3.42 O +ATOM 387 CB ASN A 184 -12.447 -39.458 38.102 1.00 3.43 C +ATOM 388 CG ASN A 184 -12.362 -37.958 37.857 1.00 3.33 C +ATOM 389 OD1 ASN A 184 -11.870 -37.202 38.694 1.00 3.34 O +ATOM 390 ND2 ASN A 184 -12.848 -37.522 36.703 1.00 3.37 N +ATOM 391 N THR A 185 -11.162 -42.384 38.392 1.00 3.48 N +ATOM 392 CA THR A 185 -11.313 -43.819 38.654 1.00 3.47 C +ATOM 393 C THR A 185 -10.446 -44.260 39.831 1.00 3.45 C +ATOM 394 O THR A 185 -10.892 -45.029 40.683 1.00 3.44 O +ATOM 395 CB THR A 185 -10.950 -44.666 37.410 1.00 3.44 C +ATOM 396 OG1 THR A 185 -11.849 -44.356 36.339 1.00 3.43 O +ATOM 397 CG2 THR A 185 -11.033 -46.157 37.720 1.00 3.29 C +ATOM 398 N VAL A 186 -9.209 -43.772 39.869 1.00 3.44 N +ATOM 399 CA VAL A 186 -8.299 -44.061 40.976 1.00 3.44 C +ATOM 400 C VAL A 186 -8.825 -43.451 42.276 1.00 3.46 C +ATOM 401 O VAL A 186 -8.851 -44.116 43.310 1.00 3.41 O +ATOM 402 CB VAL A 186 -6.877 -43.535 40.690 1.00 3.43 C +ATOM 403 CG1 VAL A 186 -5.979 -43.716 41.907 1.00 3.47 C +ATOM 404 CG2 VAL A 186 -6.287 -44.242 39.483 1.00 3.34 C +ATOM 405 N CYS A 187 -9.258 -42.193 42.207 1.00 3.54 N +ATOM 406 CA CYS A 187 -9.805 -41.485 43.372 1.00 3.58 C +ATOM 407 C CYS A 187 -10.993 -42.213 44.002 1.00 3.61 C +ATOM 408 O CYS A 187 -11.066 -42.340 45.224 1.00 3.62 O +ATOM 409 CB CYS A 187 -10.211 -40.057 42.998 1.00 3.54 C +ATOM 410 SG CYS A 187 -8.819 -38.925 42.856 1.00 3.52 S +ATOM 411 N ASP A 188 -11.918 -42.682 43.169 1.00 3.64 N +ATOM 412 CA ASP A 188 -13.035 -43.505 43.639 1.00 3.70 C +ATOM 413 C ASP A 188 -12.539 -44.783 44.310 1.00 3.74 C +ATOM 414 O ASP A 188 -13.110 -45.226 45.303 1.00 3.84 O +ATOM 415 CB ASP A 188 -13.971 -43.877 42.481 1.00 3.70 C +ATOM 416 CG ASP A 188 -14.872 -42.729 42.051 1.00 3.79 C +ATOM 417 OD1 ASP A 188 -15.633 -42.918 41.077 1.00 4.09 O +ATOM 418 OD2 ASP A 188 -14.832 -41.648 42.677 1.00 3.90 O +ATOM 419 N GLU A 189 -11.474 -45.363 43.760 1.00 3.75 N +ATOM 420 CA GLU A 189 -10.923 -46.628 44.256 1.00 3.77 C +ATOM 421 C GLU A 189 -10.247 -46.451 45.619 1.00 3.62 C +ATOM 422 O GLU A 189 -10.459 -47.250 46.532 1.00 3.50 O +ATOM 423 CB GLU A 189 -9.915 -47.210 43.251 1.00 3.85 C +ATOM 424 CG GLU A 189 -10.091 -48.701 42.974 1.00 4.18 C +ATOM 425 CD GLU A 189 -11.239 -49.005 42.014 1.00 4.79 C +ATOM 426 OE1 GLU A 189 -11.815 -48.059 41.432 1.00 5.25 O +ATOM 427 OE2 GLU A 189 -11.562 -50.200 41.832 1.00 5.26 O +ATOM 428 N LEU A 190 -9.437 -45.402 45.744 1.00 3.54 N +ATOM 429 CA LEU A 190 -8.688 -45.128 46.976 1.00 3.50 C +ATOM 430 C LEU A 190 -9.446 -44.242 47.979 1.00 3.42 C +ATOM 431 O LEU A 190 -8.903 -43.890 49.022 1.00 3.35 O +ATOM 432 CB LEU A 190 -7.343 -44.479 46.636 1.00 3.49 C +ATOM 433 CG LEU A 190 -6.501 -45.167 45.559 1.00 3.53 C +ATOM 434 CD1 LEU A 190 -5.145 -44.480 45.438 1.00 3.56 C +ATOM 435 CD2 LEU A 190 -6.332 -46.647 45.854 1.00 3.43 C +ATOM 436 N TYR A 191 -10.690 -43.889 47.661 1.00 3.43 N +ATOM 437 CA TYR A 191 -11.540 -43.073 48.539 1.00 3.39 C +ATOM 438 C TYR A 191 -10.920 -41.705 48.822 1.00 3.33 C +ATOM 439 O TYR A 191 -10.831 -41.279 49.971 1.00 3.27 O +ATOM 440 CB TYR A 191 -11.854 -43.814 49.847 1.00 3.38 C +ATOM 441 CG TYR A 191 -12.454 -45.184 49.629 1.00 3.54 C +ATOM 442 CD1 TYR A 191 -11.650 -46.319 49.580 1.00 3.79 C +ATOM 443 CD2 TYR A 191 -13.825 -45.344 49.456 1.00 3.84 C +ATOM 444 CE1 TYR A 191 -12.196 -47.575 49.369 1.00 3.98 C +ATOM 445 CE2 TYR A 191 -14.381 -46.598 49.246 1.00 3.82 C +ATOM 446 CZ TYR A 191 -13.563 -47.708 49.202 1.00 3.96 C +ATOM 447 OH TYR A 191 -14.112 -48.952 48.994 1.00 4.40 O +ATOM 448 N ILE A 192 -10.499 -41.024 47.760 1.00 3.35 N +ATOM 449 CA ILE A 192 -9.898 -39.699 47.884 1.00 3.42 C +ATOM 450 C ILE A 192 -10.982 -38.648 48.139 1.00 3.57 C +ATOM 451 O ILE A 192 -11.867 -38.438 47.312 1.00 3.47 O +ATOM 452 CB ILE A 192 -9.078 -39.309 46.631 1.00 3.40 C +ATOM 453 CG1 ILE A 192 -7.929 -40.300 46.397 1.00 3.25 C +ATOM 454 CG2 ILE A 192 -8.524 -37.892 46.774 1.00 3.07 C +ATOM 455 CD1 ILE A 192 -6.891 -40.310 47.486 1.00 2.77 C +ATOM 456 N TYR A 193 -10.892 -37.992 49.291 1.00 3.73 N +ATOM 457 CA TYR A 193 -11.875 -36.999 49.711 1.00 3.88 C +ATOM 458 C TYR A 193 -11.475 -35.617 49.198 1.00 3.90 C +ATOM 459 O TYR A 193 -10.703 -34.917 49.849 1.00 4.28 O +ATOM 460 CB TYR A 193 -11.974 -37.000 51.250 1.00 3.88 C +ATOM 461 CG TYR A 193 -12.969 -36.015 51.826 1.00 4.05 C +ATOM 462 CD1 TYR A 193 -12.580 -34.720 52.163 1.00 4.11 C +ATOM 463 CD2 TYR A 193 -14.299 -36.379 52.045 1.00 4.33 C +ATOM 464 CE1 TYR A 193 -13.484 -33.813 52.686 1.00 4.00 C +ATOM 465 CE2 TYR A 193 -15.213 -35.476 52.576 1.00 3.97 C +ATOM 466 CZ TYR A 193 -14.798 -34.193 52.891 1.00 4.15 C +ATOM 467 OH TYR A 193 -15.694 -33.285 53.412 1.00 4.39 O +ATOM 468 N CYS A 194 -11.973 -35.220 48.032 1.00 3.83 N +ATOM 469 CA CYS A 194 -11.703 -33.860 47.531 1.00 3.96 C +ATOM 470 C CYS A 194 -12.818 -32.882 47.931 1.00 3.67 C +ATOM 471 O CYS A 194 -13.992 -33.253 47.998 1.00 3.56 O +ATOM 472 CB CYS A 194 -11.469 -33.840 46.012 1.00 4.04 C +ATOM 473 SG CYS A 194 -9.730 -34.023 45.517 1.00 4.93 S +ATOM 474 N SER A 195 -12.418 -31.641 48.204 1.00 3.39 N +ATOM 475 CA SER A 195 -13.314 -30.589 48.678 1.00 3.28 C +ATOM 476 C SER A 195 -12.975 -29.250 48.021 1.00 3.17 C +ATOM 477 O SER A 195 -11.900 -29.088 47.444 1.00 3.02 O +ATOM 478 CB SER A 195 -13.199 -30.447 50.195 1.00 3.30 C +ATOM 479 OG SER A 195 -11.880 -30.083 50.570 1.00 3.17 O +ATOM 480 N ARG A 196 -13.888 -28.291 48.133 1.00 3.00 N +ATOM 481 CA ARG A 196 -13.736 -26.996 47.473 1.00 2.97 C +ATOM 482 C ARG A 196 -13.185 -25.937 48.421 1.00 2.97 C +ATOM 483 O ARG A 196 -13.486 -25.953 49.613 1.00 2.89 O +ATOM 484 CB ARG A 196 -15.080 -26.545 46.901 1.00 2.85 C +ATOM 485 CG ARG A 196 -15.572 -27.438 45.766 1.00 2.66 C +ATOM 486 CD ARG A 196 -15.235 -26.891 44.387 1.00 2.36 C +ATOM 487 NE ARG A 196 -16.371 -26.160 43.827 1.00 2.28 N +ATOM 488 CZ ARG A 196 -17.137 -26.566 42.814 1.00 2.00 C +ATOM 489 NH1 ARG A 196 -16.911 -27.711 42.178 1.00 2.00 N +ATOM 490 NH2 ARG A 196 -18.143 -25.796 42.418 1.00 2.23 N +ATOM 491 N ACYS A 197 -12.377 -25.028 47.866 0.50 2.97 N +ATOM 492 N BCYS A 197 -12.372 -25.025 47.900 0.50 3.01 N +ATOM 493 CA ACYS A 197 -11.835 -23.872 48.588 0.50 2.93 C +ATOM 494 CA BCYS A 197 -11.815 -23.964 48.727 0.50 3.00 C +ATOM 495 C ACYS A 197 -12.956 -22.946 49.035 0.50 3.00 C +ATOM 496 C BCYS A 197 -12.888 -22.915 49.004 0.50 3.03 C +ATOM 497 O ACYS A 197 -14.018 -22.911 48.416 0.50 2.91 O +ATOM 498 O BCYS A 197 -13.844 -22.776 48.244 0.50 2.93 O +ATOM 499 CB ACYS A 197 -10.894 -23.060 47.685 0.50 2.91 C +ATOM 500 CB BCYS A 197 -10.600 -23.326 48.054 0.50 2.99 C +ATOM 501 SG ACYS A 197 -9.232 -23.732 47.399 0.50 2.43 S +ATOM 502 SG BCYS A 197 -10.998 -22.034 46.873 0.50 2.79 S +ATOM 503 N THR A 198 -12.714 -22.190 50.103 1.00 3.10 N +ATOM 504 CA THR A 198 -13.629 -21.122 50.514 1.00 3.19 C +ATOM 505 C THR A 198 -13.442 -19.934 49.572 1.00 3.29 C +ATOM 506 O THR A 198 -12.444 -19.863 48.848 1.00 3.12 O +ATOM 507 CB THR A 198 -13.329 -20.644 51.945 1.00 3.15 C +ATOM 508 OG1 THR A 198 -12.029 -20.037 51.977 1.00 4.13 O +ATOM 509 CG2 THR A 198 -13.356 -21.804 52.931 1.00 2.67 C +ATOM 510 N SER A 199 -14.382 -18.994 49.588 1.00 3.27 N +ATOM 511 CA SER A 199 -14.247 -17.797 48.754 1.00 3.36 C +ATOM 512 C SER A 199 -12.991 -16.989 49.133 1.00 3.39 C +ATOM 513 O SER A 199 -12.346 -16.404 48.262 1.00 3.42 O +ATOM 514 CB SER A 199 -15.501 -16.923 48.839 1.00 3.16 C +ATOM 515 OG SER A 199 -15.535 -16.222 50.062 1.00 3.29 O +ATOM 516 N ASP A 200 -12.654 -16.967 50.424 1.00 3.45 N +ATOM 517 CA ASP A 200 -11.404 -16.356 50.901 1.00 3.65 C +ATOM 518 C ASP A 200 -10.173 -17.059 50.317 1.00 3.59 C +ATOM 519 O ASP A 200 -9.261 -16.396 49.830 1.00 3.99 O +ATOM 520 CB ASP A 200 -11.317 -16.394 52.433 1.00 3.62 C +ATOM 521 CG ASP A 200 -12.111 -15.288 53.108 1.00 4.22 C +ATOM 522 OD1 ASP A 200 -12.204 -15.328 54.357 1.00 4.81 O +ATOM 523 OD2 ASP A 200 -12.637 -14.380 52.419 1.00 4.94 O +ATOM 524 N GLN A 201 -10.150 -18.390 50.374 1.00 3.48 N +ATOM 525 CA GLN A 201 -9.037 -19.175 49.810 1.00 3.53 C +ATOM 526 C GLN A 201 -8.938 -19.024 48.297 1.00 3.49 C +ATOM 527 O GLN A 201 -7.842 -18.905 47.754 1.00 3.67 O +ATOM 528 CB GLN A 201 -9.168 -20.654 50.167 1.00 3.41 C +ATOM 529 CG GLN A 201 -8.764 -20.973 51.602 1.00 3.89 C +ATOM 530 CD GLN A 201 -9.459 -22.209 52.170 1.00 3.89 C +ATOM 531 OE1 GLN A 201 -10.316 -22.811 51.517 1.00 3.37 O +ATOM 532 NE2 GLN A 201 -9.091 -22.587 53.395 1.00 3.23 N +ATOM 533 N LEU A 202 -10.084 -19.030 47.623 1.00 3.39 N +ATOM 534 CA LEU A 202 -10.126 -18.812 46.180 1.00 3.24 C +ATOM 535 C LEU A 202 -9.447 -17.497 45.799 1.00 3.20 C +ATOM 536 O LEU A 202 -8.638 -17.462 44.880 1.00 3.28 O +ATOM 537 CB LEU A 202 -11.569 -18.810 45.669 1.00 2.98 C +ATOM 538 CG LEU A 202 -11.751 -18.716 44.150 1.00 2.95 C +ATOM 539 CD1 LEU A 202 -10.995 -19.834 43.423 1.00 2.00 C +ATOM 540 CD2 LEU A 202 -13.242 -18.720 43.785 1.00 2.00 C +ATOM 541 N HIS A 203 -9.767 -16.425 46.515 1.00 3.13 N +ATOM 542 CA HIS A 203 -9.266 -15.101 46.166 1.00 3.12 C +ATOM 543 C HIS A 203 -7.775 -14.930 46.458 1.00 3.10 C +ATOM 544 O HIS A 203 -7.065 -14.295 45.686 1.00 2.82 O +ATOM 545 CB HIS A 203 -10.055 -14.013 46.881 1.00 3.21 C +ATOM 546 CG HIS A 203 -9.791 -12.642 46.344 1.00 3.22 C +ATOM 547 ND1 HIS A 203 -8.779 -11.835 46.821 1.00 2.56 N +ATOM 548 CD2 HIS A 203 -10.395 -11.946 45.352 1.00 3.21 C +ATOM 549 CE1 HIS A 203 -8.782 -10.694 46.156 1.00 2.51 C +ATOM 550 NE2 HIS A 203 -9.747 -10.738 45.256 1.00 3.39 N +ATOM 551 N ILE A 204 -7.315 -15.490 47.572 1.00 3.16 N +ATOM 552 CA ILE A 204 -5.890 -15.512 47.900 1.00 3.05 C +ATOM 553 C ILE A 204 -5.087 -16.211 46.797 1.00 3.09 C +ATOM 554 O ILE A 204 -4.014 -15.732 46.399 1.00 3.05 O +ATOM 555 CB ILE A 204 -5.637 -16.203 49.265 1.00 3.15 C +ATOM 556 CG1 ILE A 204 -6.173 -15.330 50.405 1.00 3.02 C +ATOM 557 CG2 ILE A 204 -4.163 -16.459 49.491 1.00 2.61 C +ATOM 558 CD1 ILE A 204 -6.284 -16.050 51.720 1.00 2.51 C +ATOM 559 N LEU A 205 -5.608 -17.328 46.294 1.00 3.06 N +ATOM 560 CA LEU A 205 -4.932 -18.063 45.220 1.00 3.27 C +ATOM 561 C LEU A 205 -4.790 -17.219 43.950 1.00 3.34 C +ATOM 562 O LEU A 205 -3.849 -17.394 43.192 1.00 3.27 O +ATOM 563 CB LEU A 205 -5.651 -19.383 44.915 1.00 3.22 C +ATOM 564 CG LEU A 205 -5.400 -20.531 45.898 1.00 3.07 C +ATOM 565 CD1 LEU A 205 -6.397 -21.641 45.668 1.00 3.21 C +ATOM 566 CD2 LEU A 205 -3.982 -21.070 45.783 1.00 3.10 C +ATOM 567 N LYS A 206 -5.724 -16.296 43.736 1.00 3.59 N +ATOM 568 CA LYS A 206 -5.659 -15.378 42.605 1.00 3.65 C +ATOM 569 C LYS A 206 -4.643 -14.256 42.834 1.00 3.80 C +ATOM 570 O LYS A 206 -3.771 -14.022 41.984 1.00 4.09 O +ATOM 571 CB LYS A 206 -7.049 -14.805 42.313 1.00 3.79 C +ATOM 572 CG LYS A 206 -8.029 -15.858 41.804 1.00 3.59 C +ATOM 573 CD LYS A 206 -9.474 -15.397 41.882 1.00 3.53 C +ATOM 574 CE LYS A 206 -10.402 -16.384 41.179 1.00 3.39 C +ATOM 575 NZ LYS A 206 -11.809 -15.906 41.117 1.00 3.44 N +ATOM 576 N VAL A 207 -4.718 -13.580 43.978 1.00 3.74 N +ATOM 577 CA VAL A 207 -3.846 -12.416 44.209 1.00 3.77 C +ATOM 578 C VAL A 207 -2.372 -12.838 44.277 1.00 3.80 C +ATOM 579 O VAL A 207 -1.501 -12.153 43.744 1.00 3.87 O +ATOM 580 CB VAL A 207 -4.224 -11.568 45.475 1.00 3.80 C +ATOM 581 CG1 VAL A 207 -5.738 -11.493 45.675 1.00 2.88 C +ATOM 582 CG2 VAL A 207 -3.531 -12.082 46.722 1.00 4.11 C +ATOM 583 N LEU A 208 -2.111 -13.979 44.912 1.00 3.84 N +ATOM 584 CA LEU A 208 -0.759 -14.523 45.016 1.00 3.84 C +ATOM 585 C LEU A 208 -0.307 -15.276 43.752 1.00 3.97 C +ATOM 586 O LEU A 208 0.764 -15.887 43.731 1.00 4.27 O +ATOM 587 CB LEU A 208 -0.633 -15.395 46.268 1.00 3.72 C +ATOM 588 CG LEU A 208 -0.845 -14.639 47.589 1.00 3.86 C +ATOM 589 CD1 LEU A 208 -0.708 -15.566 48.797 1.00 4.00 C +ATOM 590 CD2 LEU A 208 0.114 -13.472 47.722 1.00 3.46 C +ATOM 591 N GLY A 209 -1.116 -15.218 42.697 1.00 4.10 N +ATOM 592 CA GLY A 209 -0.657 -15.529 41.342 1.00 4.02 C +ATOM 593 C GLY A 209 -0.729 -16.985 40.925 1.00 4.12 C +ATOM 594 O GLY A 209 -0.136 -17.363 39.914 1.00 3.94 O +ATOM 595 N ILE A 210 -1.466 -17.804 41.673 1.00 4.15 N +ATOM 596 CA ILE A 210 -1.532 -19.242 41.384 1.00 4.19 C +ATOM 597 C ILE A 210 -2.658 -19.584 40.411 1.00 4.15 C +ATOM 598 O ILE A 210 -2.494 -20.448 39.546 1.00 4.24 O +ATOM 599 CB ILE A 210 -1.699 -20.081 42.660 1.00 4.20 C +ATOM 600 CG1 ILE A 210 -0.602 -19.736 43.677 1.00 4.07 C +ATOM 601 CG2 ILE A 210 -1.660 -21.575 42.314 1.00 4.29 C +ATOM 602 CD1 ILE A 210 0.814 -20.010 43.178 1.00 3.83 C +ATOM 603 N LEU A 211 -3.792 -18.908 40.558 1.00 4.16 N +ATOM 604 CA LEU A 211 -4.956 -19.150 39.705 1.00 4.16 C +ATOM 605 C LEU A 211 -5.333 -17.924 38.874 1.00 4.18 C +ATOM 606 O LEU A 211 -5.112 -16.787 39.299 1.00 4.17 O +ATOM 607 CB LEU A 211 -6.164 -19.551 40.548 1.00 4.04 C +ATOM 608 CG LEU A 211 -6.120 -20.897 41.270 1.00 4.14 C +ATOM 609 CD1 LEU A 211 -7.506 -21.183 41.873 1.00 4.02 C +ATOM 610 CD2 LEU A 211 -5.686 -22.029 40.341 1.00 3.50 C +ATOM 611 N PRO A 212 -5.907 -18.154 37.682 1.00 4.16 N +ATOM 612 CA PRO A 212 -6.447 -17.040 36.924 1.00 4.09 C +ATOM 613 C PRO A 212 -7.644 -16.433 37.651 1.00 3.97 C +ATOM 614 O PRO A 212 -8.404 -17.155 38.287 1.00 4.09 O +ATOM 615 CB PRO A 212 -6.875 -17.688 35.601 1.00 4.17 C +ATOM 616 CG PRO A 212 -7.042 -19.130 35.904 1.00 4.21 C +ATOM 617 CD PRO A 212 -6.034 -19.430 36.952 1.00 4.28 C +ATOM 618 N PHE A 213 -7.796 -15.117 37.550 1.00 3.76 N +ATOM 619 CA PHE A 213 -8.839 -14.399 38.270 1.00 3.66 C +ATOM 620 C PHE A 213 -10.263 -14.786 37.853 1.00 3.72 C +ATOM 621 O PHE A 213 -11.199 -14.592 38.631 1.00 3.88 O +ATOM 622 CB PHE A 213 -8.639 -12.881 38.154 1.00 3.52 C +ATOM 623 CG PHE A 213 -7.766 -12.298 39.240 1.00 3.45 C +ATOM 624 CD1 PHE A 213 -6.378 -12.410 39.180 1.00 2.87 C +ATOM 625 CD2 PHE A 213 -8.330 -11.635 40.324 1.00 2.81 C +ATOM 626 CE1 PHE A 213 -5.575 -11.875 40.177 1.00 2.50 C +ATOM 627 CE2 PHE A 213 -7.530 -11.098 41.327 1.00 2.85 C +ATOM 628 CZ PHE A 213 -6.149 -11.220 41.253 1.00 2.84 C +ATOM 629 N ASN A 214 -10.432 -15.329 36.646 1.00 3.65 N +ATOM 630 CA ASN A 214 -11.751 -15.807 36.196 1.00 3.50 C +ATOM 631 C ASN A 214 -12.194 -17.108 36.867 1.00 3.51 C +ATOM 632 O ASN A 214 -13.376 -17.453 36.815 1.00 3.59 O +ATOM 633 CB ASN A 214 -11.778 -16.012 34.675 1.00 3.46 C +ATOM 634 CG ASN A 214 -11.826 -14.706 33.896 1.00 3.34 C +ATOM 635 OD1 ASN A 214 -11.929 -13.620 34.466 1.00 3.09 O +ATOM 636 ND2 ASN A 214 -11.746 -14.813 32.576 1.00 2.90 N +ATOM 637 N ALA A 215 -11.254 -17.832 37.477 1.00 3.46 N +ATOM 638 CA ALA A 215 -11.546 -19.132 38.103 1.00 3.41 C +ATOM 639 C ALA A 215 -12.767 -19.062 39.051 1.00 3.40 C +ATOM 640 O ALA A 215 -12.741 -18.334 40.044 1.00 3.35 O +ATOM 641 CB ALA A 215 -10.324 -19.644 38.848 1.00 2.95 C +ATOM 642 N PRO A 216 -13.838 -19.817 38.744 1.00 3.46 N +ATOM 643 CA PRO A 216 -15.052 -19.794 39.576 1.00 3.53 C +ATOM 644 C PRO A 216 -14.923 -20.583 40.887 1.00 3.67 C +ATOM 645 O PRO A 216 -15.617 -20.282 41.862 1.00 3.46 O +ATOM 646 CB PRO A 216 -16.095 -20.449 38.671 1.00 3.47 C +ATOM 647 CG PRO A 216 -15.314 -21.423 37.870 1.00 3.38 C +ATOM 648 CD PRO A 216 -13.963 -20.778 37.633 1.00 3.47 C +ATOM 649 N SER A 217 -14.049 -21.591 40.901 1.00 3.88 N +ATOM 650 CA SER A 217 -13.826 -22.405 42.095 1.00 3.98 C +ATOM 651 C SER A 217 -12.476 -23.098 42.036 1.00 4.11 C +ATOM 652 O SER A 217 -11.783 -23.038 41.030 1.00 4.36 O +ATOM 653 CB SER A 217 -14.925 -23.458 42.227 1.00 3.94 C +ATOM 654 OG SER A 217 -14.940 -24.299 41.088 1.00 4.19 O +ATOM 655 N CYS A 218 -12.110 -23.760 43.125 1.00 4.35 N +ATOM 656 CA CYS A 218 -10.869 -24.518 43.175 1.00 4.49 C +ATOM 657 C CYS A 218 -10.982 -25.660 44.169 1.00 4.51 C +ATOM 658 O CYS A 218 -11.373 -25.457 45.322 1.00 4.69 O +ATOM 659 CB CYS A 218 -9.711 -23.613 43.570 1.00 4.42 C +ATOM 660 SG CYS A 218 -8.123 -24.396 43.372 1.00 5.62 S +ATOM 661 N GLY A 219 -10.645 -26.862 43.713 1.00 4.41 N +ATOM 662 CA GLY A 219 -10.624 -28.030 44.581 1.00 4.28 C +ATOM 663 C GLY A 219 -9.374 -28.062 45.439 1.00 3.99 C +ATOM 664 O GLY A 219 -8.361 -27.476 45.082 1.00 4.27 O +ATOM 665 N LEU A 220 -9.460 -28.739 46.579 1.00 3.80 N +ATOM 666 CA LEU A 220 -8.307 -28.996 47.428 1.00 3.69 C +ATOM 667 C LEU A 220 -8.200 -30.490 47.702 1.00 3.72 C +ATOM 668 O LEU A 220 -9.217 -31.173 47.898 1.00 3.88 O +ATOM 669 CB LEU A 220 -8.413 -28.244 48.753 1.00 3.65 C +ATOM 670 CG LEU A 220 -8.348 -26.720 48.691 1.00 3.59 C +ATOM 671 CD1 LEU A 220 -8.688 -26.121 50.050 1.00 3.07 C +ATOM 672 CD2 LEU A 220 -6.985 -26.252 48.214 1.00 3.09 C +ATOM 673 N ILE A 221 -6.964 -30.982 47.715 1.00 3.56 N +ATOM 674 CA ILE A 221 -6.661 -32.379 48.032 1.00 3.50 C +ATOM 675 C ILE A 221 -5.649 -32.391 49.176 1.00 3.57 C +ATOM 676 O ILE A 221 -4.702 -31.603 49.170 1.00 3.82 O +ATOM 677 CB ILE A 221 -6.094 -33.112 46.799 1.00 3.44 C +ATOM 678 CG1 ILE A 221 -5.848 -34.595 47.098 1.00 3.48 C +ATOM 679 CG2 ILE A 221 -4.806 -32.457 46.324 1.00 3.07 C +ATOM 680 CD1 ILE A 221 -5.695 -35.450 45.842 1.00 2.40 C +ATOM 681 N THR A 222 -5.846 -33.258 50.164 1.00 3.52 N +ATOM 682 CA THR A 222 -4.889 -33.358 51.274 1.00 3.59 C +ATOM 683 C THR A 222 -3.542 -33.887 50.770 1.00 3.63 C +ATOM 684 O THR A 222 -3.493 -34.675 49.827 1.00 3.53 O +ATOM 685 CB THR A 222 -5.394 -34.263 52.413 1.00 3.51 C +ATOM 686 OG1 THR A 222 -5.555 -35.603 51.934 1.00 3.78 O +ATOM 687 CG2 THR A 222 -6.716 -33.754 52.965 1.00 3.31 C +ATOM 688 N LEU A 223 -2.455 -33.433 51.389 1.00 3.74 N +ATOM 689 CA LEU A 223 -1.110 -33.902 51.027 1.00 3.92 C +ATOM 690 C LEU A 223 -1.059 -35.427 51.031 1.00 3.98 C +ATOM 691 O LEU A 223 -0.522 -36.044 50.113 1.00 4.08 O +ATOM 692 CB LEU A 223 -0.047 -33.350 51.993 1.00 3.82 C +ATOM 693 CG LEU A 223 1.414 -33.718 51.693 1.00 3.77 C +ATOM 694 CD1 LEU A 223 1.782 -33.326 50.275 1.00 3.64 C +ATOM 695 CD2 LEU A 223 2.376 -33.072 52.690 1.00 2.93 C +ATOM 696 N THR A 224 -1.642 -36.021 52.066 1.00 4.05 N +ATOM 697 CA THR A 224 -1.621 -37.468 52.233 1.00 4.18 C +ATOM 698 C THR A 224 -2.395 -38.186 51.116 1.00 4.17 C +ATOM 699 O THR A 224 -1.950 -39.228 50.630 1.00 4.27 O +ATOM 700 CB THR A 224 -2.125 -37.880 53.640 1.00 4.01 C +ATOM 701 OG1 THR A 224 -1.929 -39.284 53.836 1.00 4.41 O +ATOM 702 CG2 THR A 224 -3.579 -37.551 53.807 1.00 4.79 C +ATOM 703 N ASP A 225 -3.526 -37.624 50.693 1.00 4.13 N +ATOM 704 CA ASP A 225 -4.287 -38.185 49.562 1.00 4.01 C +ATOM 705 C ASP A 225 -3.592 -37.935 48.223 1.00 3.86 C +ATOM 706 O ASP A 225 -3.693 -38.752 47.311 1.00 3.88 O +ATOM 707 CB ASP A 225 -5.726 -37.644 49.518 1.00 3.99 C +ATOM 708 CG ASP A 225 -6.648 -38.314 50.543 1.00 4.17 C +ATOM 709 OD1 ASP A 225 -6.295 -39.389 51.080 1.00 4.34 O +ATOM 710 OD2 ASP A 225 -7.735 -37.765 50.810 1.00 4.29 O +ATOM 711 N ALA A 226 -2.896 -36.810 48.102 1.00 3.70 N +ATOM 712 CA ALA A 226 -2.144 -36.511 46.883 1.00 3.66 C +ATOM 713 C ALA A 226 -0.983 -37.494 46.704 1.00 3.67 C +ATOM 714 O ALA A 226 -0.751 -37.994 45.604 1.00 3.65 O +ATOM 715 CB ALA A 226 -1.634 -35.076 46.906 1.00 3.53 C +ATOM 716 N GLN A 227 -0.271 -37.780 47.791 1.00 3.71 N +ATOM 717 CA GLN A 227 0.876 -38.682 47.738 1.00 3.89 C +ATOM 718 C GLN A 227 0.455 -40.111 47.384 1.00 3.92 C +ATOM 719 O GLN A 227 1.107 -40.760 46.562 1.00 3.89 O +ATOM 720 CB GLN A 227 1.685 -38.640 49.048 1.00 3.88 C +ATOM 721 CG GLN A 227 2.508 -37.352 49.201 1.00 4.06 C +ATOM 722 CD GLN A 227 3.267 -37.252 50.517 1.00 4.30 C +ATOM 723 OE1 GLN A 227 2.997 -37.986 51.468 1.00 4.49 O +ATOM 724 NE2 GLN A 227 4.226 -36.329 50.575 1.00 4.27 N +ATOM 725 N ARG A 228 -0.637 -40.591 47.976 1.00 3.82 N +ATOM 726 CA ARG A 228 -1.108 -41.957 47.689 1.00 3.85 C +ATOM 727 C ARG A 228 -1.868 -42.070 46.362 1.00 3.82 C +ATOM 728 O ARG A 228 -1.933 -43.154 45.774 1.00 3.80 O +ATOM 729 CB ARG A 228 -1.922 -42.540 48.852 1.00 3.84 C +ATOM 730 CG ARG A 228 -3.200 -41.811 49.198 1.00 4.06 C +ATOM 731 CD ARG A 228 -3.732 -42.260 50.557 1.00 3.83 C +ATOM 732 NE ARG A 228 -4.514 -43.486 50.430 1.00 3.63 N +ATOM 733 CZ ARG A 228 -5.832 -43.536 50.248 1.00 3.39 C +ATOM 734 NH1 ARG A 228 -6.557 -42.425 50.182 1.00 3.33 N +ATOM 735 NH2 ARG A 228 -6.435 -44.716 50.133 1.00 3.49 N +ATOM 736 N LEU A 229 -2.434 -40.960 45.892 1.00 3.82 N +ATOM 737 CA LEU A 229 -2.971 -40.890 44.532 1.00 3.83 C +ATOM 738 C LEU A 229 -1.823 -40.989 43.536 1.00 3.88 C +ATOM 739 O LEU A 229 -1.887 -41.762 42.580 1.00 3.91 O +ATOM 740 CB LEU A 229 -3.736 -39.584 44.307 1.00 3.85 C +ATOM 741 CG LEU A 229 -4.247 -39.303 42.889 1.00 3.85 C +ATOM 742 CD1 LEU A 229 -5.228 -40.377 42.444 1.00 3.93 C +ATOM 743 CD2 LEU A 229 -4.885 -37.919 42.815 1.00 3.56 C +ATOM 744 N CYS A 230 -0.777 -40.202 43.771 1.00 3.90 N +ATOM 745 CA CYS A 230 0.422 -40.240 42.936 1.00 3.86 C +ATOM 746 C CYS A 230 1.049 -41.628 42.918 1.00 3.80 C +ATOM 747 O CYS A 230 1.456 -42.107 41.858 1.00 3.88 O +ATOM 748 CB CYS A 230 1.449 -39.213 43.415 1.00 3.83 C +ATOM 749 SG CYS A 230 1.012 -37.516 43.012 1.00 4.68 S +ATOM 750 N ASN A 231 1.123 -42.267 44.087 1.00 3.72 N +ATOM 751 CA ASN A 231 1.650 -43.634 44.197 1.00 3.58 C +ATOM 752 C ASN A 231 0.919 -44.583 43.251 1.00 3.54 C +ATOM 753 O ASN A 231 1.545 -45.337 42.505 1.00 3.60 O +ATOM 754 CB ASN A 231 1.525 -44.171 45.634 1.00 3.52 C +ATOM 755 CG ASN A 231 2.413 -43.435 46.634 1.00 3.35 C +ATOM 756 OD1 ASN A 231 3.356 -42.734 46.265 1.00 2.83 O +ATOM 757 ND2 ASN A 231 2.103 -43.597 47.914 1.00 3.14 N +ATOM 758 N ALA A 232 -0.409 -44.523 43.284 1.00 3.48 N +ATOM 759 CA ALA A 232 -1.257 -45.422 42.500 1.00 3.49 C +ATOM 760 C ALA A 232 -1.090 -45.248 40.984 1.00 3.49 C +ATOM 761 O ALA A 232 -1.141 -46.227 40.236 1.00 3.44 O +ATOM 762 CB ALA A 232 -2.715 -45.237 42.895 1.00 3.42 C +ATOM 763 N LEU A 233 -0.878 -44.009 40.545 1.00 3.50 N +ATOM 764 CA LEU A 233 -0.774 -43.691 39.118 1.00 3.53 C +ATOM 765 C LEU A 233 0.647 -43.819 38.566 1.00 3.59 C +ATOM 766 O LEU A 233 0.868 -44.517 37.578 1.00 3.64 O +ATOM 767 CB LEU A 233 -1.305 -42.282 38.849 1.00 3.44 C +ATOM 768 CG LEU A 233 -2.829 -42.172 38.844 1.00 3.45 C +ATOM 769 CD1 LEU A 233 -3.275 -40.721 38.968 1.00 3.29 C +ATOM 770 CD2 LEU A 233 -3.407 -42.809 37.590 1.00 3.02 C +ATOM 771 N LEU A 234 1.597 -43.134 39.196 1.00 3.70 N +ATOM 772 CA LEU A 234 2.981 -43.088 38.705 1.00 3.70 C +ATOM 773 C LEU A 234 3.786 -44.347 39.020 1.00 3.68 C +ATOM 774 O LEU A 234 4.739 -44.658 38.308 1.00 3.71 O +ATOM 775 CB LEU A 234 3.713 -41.859 39.261 1.00 3.79 C +ATOM 776 CG LEU A 234 3.239 -40.507 38.716 1.00 4.04 C +ATOM 777 CD1 LEU A 234 3.732 -39.352 39.581 1.00 4.24 C +ATOM 778 CD2 LEU A 234 3.694 -40.331 37.275 1.00 4.09 C +ATOM 779 N ARG A 235 3.416 -45.065 40.080 1.00 3.67 N +ATOM 780 CA ARG A 235 4.132 -46.291 40.470 1.00 3.63 C +ATOM 781 C ARG A 235 3.178 -47.435 40.849 1.00 3.61 C +ATOM 782 O ARG A 235 3.131 -47.842 42.012 1.00 3.63 O +ATOM 783 CB ARG A 235 5.085 -45.997 41.641 1.00 3.59 C +ATOM 784 CG ARG A 235 6.177 -44.968 41.345 1.00 3.55 C +ATOM 785 CD ARG A 235 6.843 -44.469 42.624 1.00 3.52 C +ATOM 786 NE ARG A 235 5.938 -43.662 43.445 1.00 3.48 N +ATOM 787 CZ ARG A 235 5.684 -42.363 43.267 1.00 3.60 C +ATOM 788 NH1 ARG A 235 6.261 -41.675 42.287 1.00 3.64 N +ATOM 789 NH2 ARG A 235 4.836 -41.740 44.082 1.00 3.69 N +ATOM 790 N PRO A 236 2.417 -47.964 39.870 1.00 3.60 N +ATOM 791 CA PRO A 236 1.512 -49.093 40.126 1.00 3.61 C +ATOM 792 C PRO A 236 2.217 -50.340 40.657 1.00 3.59 C +ATOM 793 O PRO A 236 3.294 -50.693 40.174 1.00 3.56 O +ATOM 794 CB PRO A 236 0.912 -49.386 38.746 1.00 3.62 C +ATOM 795 CG PRO A 236 1.055 -48.129 37.990 1.00 3.60 C +ATOM 796 CD PRO A 236 2.315 -47.493 38.478 1.00 3.59 C Added: SwiftApps/modFTdock/input/3eq5-2.pdb =================================================================== --- SwiftApps/modFTdock/input/3eq5-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/3eq5-2.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,782 @@ +ATOM 1 N SER B 141 -0.618 -6.096 17.841 1.00 4.90 N +ATOM 2 CA SER B 141 -1.949 -6.742 18.049 1.00 4.89 C +ATOM 3 C SER B 141 -2.088 -7.271 19.480 1.00 4.84 C +ATOM 4 O SER B 141 -1.792 -8.440 19.761 1.00 4.79 O +ATOM 5 CB SER B 141 -2.160 -7.870 17.040 1.00 4.90 C +ATOM 6 OG SER B 141 -3.385 -8.540 17.288 1.00 5.38 O +ATOM 7 N THR B 142 -2.557 -6.393 20.367 1.00 4.81 N +ATOM 8 CA THR B 142 -2.664 -6.669 21.803 1.00 4.75 C +ATOM 9 C THR B 142 -4.124 -6.682 22.268 1.00 4.72 C +ATOM 10 O THR B 142 -4.402 -6.554 23.463 1.00 4.69 O +ATOM 11 CB THR B 142 -1.899 -5.603 22.622 1.00 4.78 C +ATOM 12 OG1 THR B 142 -2.613 -4.358 22.581 1.00 5.05 O +ATOM 13 CG2 THR B 142 -0.487 -5.390 22.063 1.00 4.92 C +ATOM 14 N GLU B 143 -5.047 -6.827 21.318 1.00 4.59 N +ATOM 15 CA GLU B 143 -6.475 -6.891 21.613 1.00 4.53 C +ATOM 16 C GLU B 143 -6.933 -8.341 21.720 1.00 4.41 C +ATOM 17 O GLU B 143 -6.852 -9.103 20.755 1.00 4.37 O +ATOM 18 CB GLU B 143 -7.275 -6.184 20.522 1.00 4.65 C +ATOM 19 CG GLU B 143 -7.045 -4.677 20.463 1.00 5.10 C +ATOM 20 CD GLU B 143 -7.833 -4.001 19.350 1.00 5.74 C +ATOM 21 OE1 GLU B 143 -8.644 -4.685 18.684 1.00 6.13 O +ATOM 22 OE2 GLU B 143 -7.643 -2.782 19.142 1.00 6.21 O +ATOM 23 N LEU B 144 -7.425 -8.716 22.895 1.00 4.35 N +ATOM 24 CA LEU B 144 -7.877 -10.081 23.129 1.00 4.23 C +ATOM 25 C LEU B 144 -9.295 -10.255 22.614 1.00 4.28 C +ATOM 26 O LEU B 144 -10.127 -9.354 22.728 1.00 4.41 O +ATOM 27 CB LEU B 144 -7.819 -10.426 24.621 1.00 4.18 C +ATOM 28 CG LEU B 144 -7.992 -11.902 24.992 1.00 4.03 C +ATOM 29 CD1 LEU B 144 -6.916 -12.769 24.341 1.00 3.54 C +ATOM 30 CD2 LEU B 144 -7.978 -12.063 26.505 1.00 4.00 C +ATOM 31 N THR B 145 -9.556 -11.418 22.034 1.00 4.31 N +ATOM 32 CA THR B 145 -10.900 -11.812 21.633 1.00 4.32 C +ATOM 33 C THR B 145 -11.048 -13.293 21.947 1.00 4.34 C +ATOM 34 O THR B 145 -10.158 -13.878 22.561 1.00 4.21 O +ATOM 35 CB THR B 145 -11.142 -11.547 20.130 1.00 4.37 C +ATOM 36 OG1 THR B 145 -12.451 -12.002 19.770 1.00 4.64 O +ATOM 37 CG2 THR B 145 -10.105 -12.261 19.269 1.00 4.13 C +ATOM 38 N GLN B 146 -12.166 -13.899 21.554 1.00 4.47 N +ATOM 39 CA GLN B 146 -12.293 -15.357 21.654 1.00 4.65 C +ATOM 40 C GLN B 146 -12.990 -16.000 20.464 1.00 4.57 C +ATOM 41 O GLN B 146 -13.669 -15.335 19.684 1.00 4.66 O +ATOM 42 CB GLN B 146 -12.934 -15.804 22.979 1.00 4.66 C +ATOM 43 CG GLN B 146 -13.932 -14.857 23.616 1.00 5.28 C +ATOM 44 CD GLN B 146 -14.196 -15.214 25.077 1.00 6.11 C +ATOM 45 OE1 GLN B 146 -13.273 -15.573 25.806 1.00 6.70 O +ATOM 46 NE2 GLN B 146 -15.453 -15.114 25.509 1.00 6.17 N +ATOM 47 N THR B 147 -12.783 -17.308 20.342 1.00 4.50 N +ATOM 48 CA THR B 147 -13.239 -18.086 19.200 1.00 4.46 C +ATOM 49 C THR B 147 -13.568 -19.508 19.666 1.00 4.37 C +ATOM 50 O THR B 147 -12.852 -20.074 20.496 1.00 4.36 O +ATOM 51 CB THR B 147 -12.154 -18.110 18.074 1.00 4.51 C +ATOM 52 OG1 THR B 147 -12.757 -18.427 16.812 1.00 5.06 O +ATOM 53 CG2 THR B 147 -11.054 -19.111 18.375 1.00 4.16 C +ATOM 54 N VAL B 148 -14.654 -20.072 19.139 1.00 4.23 N +ATOM 55 CA VAL B 148 -15.107 -21.403 19.546 1.00 4.15 C +ATOM 56 C VAL B 148 -14.142 -22.509 19.081 1.00 4.14 C +ATOM 57 O VAL B 148 -13.571 -22.434 17.991 1.00 4.22 O +ATOM 58 CB VAL B 148 -16.524 -21.690 19.006 1.00 4.16 C +ATOM 59 CG1 VAL B 148 -16.957 -23.106 19.349 1.00 4.33 C +ATOM 60 CG2 VAL B 148 -17.519 -20.679 19.568 1.00 4.06 C +ATOM 61 N LEU B 149 -13.956 -23.518 19.929 1.00 4.00 N +ATOM 62 CA LEU B 149 -13.144 -24.692 19.609 1.00 3.84 C +ATOM 63 C LEU B 149 -13.653 -25.901 20.388 1.00 3.89 C +ATOM 64 O LEU B 149 -13.563 -25.932 21.615 1.00 4.04 O +ATOM 65 CB LEU B 149 -11.677 -24.443 19.963 1.00 3.94 C +ATOM 66 CG LEU B 149 -10.720 -25.599 19.648 1.00 3.59 C +ATOM 67 CD1 LEU B 149 -10.621 -25.794 18.148 1.00 3.21 C +ATOM 68 CD2 LEU B 149 -9.353 -25.354 20.253 1.00 3.66 C +ATOM 69 N GLU B 150 -14.185 -26.890 19.676 1.00 3.91 N +ATOM 70 CA GLU B 150 -14.792 -28.075 20.300 1.00 4.00 C +ATOM 71 C GLU B 150 -15.781 -27.700 21.413 1.00 3.99 C +ATOM 72 O GLU B 150 -15.792 -28.321 22.477 1.00 3.93 O +ATOM 73 CB GLU B 150 -13.708 -29.015 20.848 1.00 4.06 C +ATOM 74 CG GLU B 150 -12.769 -29.590 19.790 1.00 4.20 C +ATOM 75 CD GLU B 150 -13.434 -30.617 18.880 1.00 4.64 C +ATOM 76 OE1 GLU B 150 -14.237 -31.449 19.367 1.00 4.40 O +ATOM 77 OE2 GLU B 150 -13.138 -30.598 17.667 1.00 5.11 O +ATOM 78 N GLY B 151 -16.598 -26.677 21.164 1.00 4.05 N +ATOM 79 CA GLY B 151 -17.604 -26.220 22.131 1.00 4.10 C +ATOM 80 C GLY B 151 -17.110 -25.144 23.088 1.00 4.21 C +ATOM 81 O GLY B 151 -17.848 -24.217 23.421 1.00 4.24 O +ATOM 82 N GLU B 152 -15.863 -25.266 23.533 1.00 4.26 N +ATOM 83 CA GLU B 152 -15.271 -24.301 24.454 1.00 4.36 C +ATOM 84 C GLU B 152 -14.913 -22.998 23.736 1.00 4.27 C +ATOM 85 O GLU B 152 -14.598 -23.002 22.548 1.00 4.22 O +ATOM 86 CB GLU B 152 -14.028 -24.899 25.125 1.00 4.44 C +ATOM 87 CG GLU B 152 -14.322 -26.144 25.974 1.00 5.06 C +ATOM 88 CD GLU B 152 -13.067 -26.751 26.597 1.00 6.27 C +ATOM 89 OE1 GLU B 152 -12.118 -25.990 26.904 1.00 7.15 O +ATOM 90 OE2 GLU B 152 -13.030 -27.988 26.787 1.00 6.54 O +ATOM 91 N SER B 153 -14.986 -21.890 24.469 1.00 4.29 N +ATOM 92 CA SER B 153 -14.634 -20.571 23.949 1.00 4.31 C +ATOM 93 C SER B 153 -13.211 -20.230 24.365 1.00 4.41 C +ATOM 94 O SER B 153 -12.943 -19.971 25.544 1.00 4.62 O +ATOM 95 CB SER B 153 -15.599 -19.517 24.490 1.00 4.39 C +ATOM 96 OG SER B 153 -15.272 -18.232 23.997 1.00 4.75 O +ATOM 97 N ILE B 154 -12.298 -20.244 23.399 1.00 4.40 N +ATOM 98 CA ILE B 154 -10.884 -20.050 23.675 1.00 4.37 C +ATOM 99 C ILE B 154 -10.479 -18.612 23.396 1.00 4.33 C +ATOM 100 O ILE B 154 -10.768 -18.070 22.331 1.00 4.31 O +ATOM 101 CB ILE B 154 -10.012 -21.005 22.827 1.00 4.59 C +ATOM 102 CG1 ILE B 154 -10.442 -22.459 23.053 1.00 4.82 C +ATOM 103 CG2 ILE B 154 -8.534 -20.831 23.161 1.00 4.20 C +ATOM 104 CD1 ILE B 154 -10.532 -22.863 24.519 1.00 4.96 C +ATOM 105 N SER B 155 -9.809 -18.001 24.369 1.00 4.27 N +ATOM 106 CA SER B 155 -9.278 -16.652 24.209 1.00 4.23 C +ATOM 107 C SER B 155 -8.161 -16.661 23.173 1.00 4.11 C +ATOM 108 O SER B 155 -7.377 -17.608 23.114 1.00 4.03 O +ATOM 109 CB SER B 155 -8.771 -16.106 25.546 1.00 4.27 C +ATOM 110 OG SER B 155 -9.857 -15.680 26.347 1.00 4.23 O +ATOM 111 N CYS B 156 -8.108 -15.617 22.346 1.00 4.05 N +ATOM 112 CA CYS B 156 -7.166 -15.580 21.225 1.00 4.04 C +ATOM 113 C CYS B 156 -6.851 -14.166 20.749 1.00 3.80 C +ATOM 114 O CYS B 156 -7.606 -13.231 21.009 1.00 3.42 O +ATOM 115 CB CYS B 156 -7.726 -16.380 20.050 1.00 4.05 C +ATOM 116 SG CYS B 156 -9.162 -15.603 19.274 1.00 4.96 S +ATOM 117 N PHE B 157 -5.733 -14.041 20.029 1.00 3.70 N +ATOM 118 CA PHE B 157 -5.303 -12.773 19.443 1.00 3.49 C +ATOM 119 C PHE B 157 -5.470 -12.764 17.926 1.00 3.62 C +ATOM 120 O PHE B 157 -5.043 -13.696 17.247 1.00 3.66 O +ATOM 121 CB PHE B 157 -3.839 -12.512 19.780 1.00 3.38 C +ATOM 122 CG PHE B 157 -3.593 -12.240 21.225 1.00 2.79 C +ATOM 123 CD1 PHE B 157 -3.063 -13.218 22.051 1.00 2.58 C +ATOM 124 CD2 PHE B 157 -3.893 -11.005 21.761 1.00 2.85 C +ATOM 125 CE1 PHE B 157 -2.832 -12.965 23.389 1.00 2.29 C +ATOM 126 CE2 PHE B 157 -3.672 -10.745 23.100 1.00 3.07 C +ATOM 127 CZ PHE B 157 -3.136 -11.727 23.916 1.00 2.68 C +ATOM 128 N GLN B 158 -6.085 -11.703 17.402 1.00 3.71 N +ATOM 129 CA GLN B 158 -6.211 -11.509 15.959 1.00 3.61 C +ATOM 130 C GLN B 158 -4.936 -10.863 15.434 1.00 3.69 C +ATOM 131 O GLN B 158 -4.779 -9.645 15.482 1.00 3.74 O +ATOM 132 CB GLN B 158 -7.424 -10.633 15.630 1.00 3.60 C +ATOM 133 CG GLN B 158 -7.770 -10.542 14.139 1.00 3.45 C +ATOM 134 CD GLN B 158 -8.363 -11.830 13.585 1.00 3.35 C +ATOM 135 OE1 GLN B 158 -9.317 -12.375 14.134 1.00 3.77 O +ATOM 136 NE2 GLN B 158 -7.803 -12.314 12.488 1.00 3.37 N +ATOM 137 N VAL B 159 -4.025 -11.695 14.942 1.00 3.75 N +ATOM 138 CA VAL B 159 -2.767 -11.231 14.375 1.00 3.74 C +ATOM 139 C VAL B 159 -2.884 -11.305 12.861 1.00 3.88 C +ATOM 140 O VAL B 159 -2.679 -12.364 12.262 1.00 4.03 O +ATOM 141 CB VAL B 159 -1.576 -12.083 14.859 1.00 3.68 C +ATOM 142 CG1 VAL B 159 -0.265 -11.538 14.288 1.00 3.79 C +ATOM 143 CG2 VAL B 159 -1.532 -12.115 16.380 1.00 3.39 C +ATOM 144 N GLY B 160 -3.229 -10.175 12.249 1.00 3.89 N +ATOM 145 CA GLY B 160 -3.485 -10.127 10.815 1.00 3.84 C +ATOM 146 C GLY B 160 -4.698 -10.974 10.482 1.00 3.84 C +ATOM 147 O GLY B 160 -5.751 -10.824 11.102 1.00 3.91 O +ATOM 148 N GLY B 161 -4.538 -11.891 9.532 1.00 3.77 N +ATOM 149 CA GLY B 161 -5.631 -12.765 9.102 1.00 3.70 C +ATOM 150 C GLY B 161 -5.744 -14.060 9.888 1.00 3.64 C +ATOM 151 O GLY B 161 -6.579 -14.904 9.566 1.00 3.57 O +ATOM 152 N GLU B 162 -4.907 -14.221 10.913 1.00 3.65 N +ATOM 153 CA GLU B 162 -4.883 -15.439 11.725 1.00 3.75 C +ATOM 154 C GLU B 162 -5.334 -15.181 13.149 1.00 3.61 C +ATOM 155 O GLU B 162 -5.035 -14.134 13.718 1.00 3.48 O +ATOM 156 CB GLU B 162 -3.465 -16.012 11.808 1.00 3.75 C +ATOM 157 CG GLU B 162 -3.063 -16.906 10.659 1.00 4.25 C +ATOM 158 CD GLU B 162 -1.700 -17.546 10.874 1.00 4.53 C +ATOM 159 OE1 GLU B 162 -1.220 -17.586 12.032 1.00 4.09 O +ATOM 160 OE2 GLU B 162 -1.105 -18.002 9.877 1.00 5.36 O +ATOM 161 N LYS B 163 -6.029 -16.165 13.714 1.00 3.61 N +ATOM 162 CA ALYS B 163 -6.376 -16.177 15.131 0.50 3.71 C +ATOM 163 CA BLYS B 163 -6.360 -16.164 15.133 0.50 3.68 C +ATOM 164 C LYS B 163 -5.409 -17.108 15.865 1.00 3.75 C +ATOM 165 O LYS B 163 -5.306 -18.287 15.524 1.00 3.72 O +ATOM 166 CB ALYS B 163 -7.809 -16.677 15.325 0.50 3.72 C +ATOM 167 CB BLYS B 163 -7.814 -16.582 15.355 0.50 3.66 C +ATOM 168 CG ALYS B 163 -8.871 -15.879 14.581 0.50 3.84 C +ATOM 169 CG BLYS B 163 -8.822 -15.514 14.958 0.50 3.67 C +ATOM 170 CD ALYS B 163 -10.200 -16.625 14.559 0.50 4.05 C +ATOM 171 CD BLYS B 163 -10.222 -15.840 15.464 0.50 3.58 C +ATOM 172 CE ALYS B 163 -11.319 -15.781 13.965 0.50 4.27 C +ATOM 173 CE BLYS B 163 -11.178 -14.686 15.223 0.50 3.45 C +ATOM 174 NZ ALYS B 163 -12.602 -16.538 13.864 0.50 4.21 N +ATOM 175 NZ BLYS B 163 -11.151 -14.232 13.805 0.50 3.46 N +ATOM 176 N ARG B 164 -4.700 -16.577 16.862 1.00 3.86 N +ATOM 177 CA ARG B 164 -3.763 -17.367 17.666 1.00 3.89 C +ATOM 178 C ARG B 164 -4.347 -17.647 19.058 1.00 3.85 C +ATOM 179 O ARG B 164 -4.446 -16.745 19.884 1.00 3.71 O +ATOM 180 CB ARG B 164 -2.432 -16.636 17.802 1.00 3.94 C +ATOM 181 CG ARG B 164 -1.741 -16.314 16.485 1.00 4.14 C +ATOM 182 CD ARG B 164 -0.316 -15.853 16.741 1.00 4.56 C +ATOM 183 NE ARG B 164 0.223 -15.058 15.635 1.00 5.27 N +ATOM 184 CZ ARG B 164 0.776 -15.549 14.528 1.00 5.01 C +ATOM 185 NH1 ARG B 164 1.221 -14.714 13.600 1.00 5.11 N +ATOM 186 NH2 ARG B 164 0.884 -16.862 14.335 1.00 5.33 N +ATOM 187 N LEU B 165 -4.710 -18.906 19.300 1.00 3.87 N +ATOM 188 CA LEU B 165 -5.423 -19.318 20.509 1.00 4.11 C +ATOM 189 C LEU B 165 -4.506 -19.524 21.710 1.00 4.12 C +ATOM 190 O LEU B 165 -3.367 -19.946 21.560 1.00 4.47 O +ATOM 191 CB LEU B 165 -6.206 -20.616 20.251 1.00 4.27 C +ATOM 192 CG LEU B 165 -7.534 -20.505 19.492 1.00 4.07 C +ATOM 193 CD1 LEU B 165 -7.359 -19.839 18.135 1.00 4.39 C +ATOM 194 CD2 LEU B 165 -8.140 -21.882 19.333 1.00 3.87 C +ATOM 195 N CYS B 166 -5.030 -19.231 22.897 1.00 4.06 N +ATOM 196 CA CYS B 166 -4.337 -19.453 24.168 1.00 4.28 C +ATOM 197 C CYS B 166 -4.082 -20.948 24.392 1.00 4.27 C +ATOM 198 O CYS B 166 -5.021 -21.716 24.635 1.00 4.58 O +ATOM 199 CB CYS B 166 -5.190 -18.897 25.315 1.00 4.29 C +ATOM 200 SG CYS B 166 -4.520 -19.134 26.985 1.00 5.51 S +ATOM 201 N LEU B 167 -2.816 -21.351 24.328 1.00 4.15 N +ATOM 202 CA LEU B 167 -2.450 -22.778 24.314 1.00 4.11 C +ATOM 203 C LEU B 167 -2.852 -23.546 25.582 1.00 4.08 C +ATOM 204 O LEU B 167 -3.405 -24.646 25.485 1.00 4.21 O +ATOM 205 CB LEU B 167 -0.948 -22.948 24.045 1.00 4.02 C +ATOM 206 CG LEU B 167 -0.408 -24.370 23.873 1.00 4.00 C +ATOM 207 CD1 LEU B 167 -1.094 -25.087 22.721 1.00 4.00 C +ATOM 208 CD2 LEU B 167 1.108 -24.330 23.662 1.00 3.56 C +ATOM 209 N PRO B 168 -2.585 -22.980 26.772 1.00 3.89 N +ATOM 210 CA PRO B 168 -2.967 -23.715 27.972 1.00 3.84 C +ATOM 211 C PRO B 168 -4.463 -24.024 28.044 1.00 3.86 C +ATOM 212 O PRO B 168 -4.838 -25.052 28.603 1.00 4.06 O +ATOM 213 CB PRO B 168 -2.551 -22.780 29.113 1.00 3.75 C +ATOM 214 CG PRO B 168 -1.560 -21.869 28.532 1.00 3.66 C +ATOM 215 CD PRO B 168 -1.941 -21.699 27.102 1.00 3.89 C +ATOM 216 N GLN B 169 -5.306 -23.155 27.490 1.00 3.88 N +ATOM 217 CA GLN B 169 -6.755 -23.425 27.455 1.00 3.94 C +ATOM 218 C GLN B 169 -7.059 -24.612 26.543 1.00 4.01 C +ATOM 219 O GLN B 169 -7.945 -25.413 26.832 1.00 4.18 O +ATOM 220 CB GLN B 169 -7.556 -22.201 26.988 1.00 3.93 C +ATOM 221 CG GLN B 169 -7.640 -21.067 27.997 1.00 3.91 C +ATOM 222 CD GLN B 169 -8.674 -20.011 27.616 1.00 4.23 C +ATOM 223 OE1 GLN B 169 -8.622 -19.437 26.527 1.00 4.09 O +ATOM 224 NE2 GLN B 169 -9.617 -19.745 28.524 1.00 3.46 N +ATOM 225 N VAL B 170 -6.319 -24.715 25.442 1.00 4.01 N +ATOM 226 CA VAL B 170 -6.495 -25.811 24.493 1.00 3.88 C +ATOM 227 C VAL B 170 -6.015 -27.130 25.092 1.00 4.00 C +ATOM 228 O VAL B 170 -6.739 -28.126 25.065 1.00 4.16 O +ATOM 229 CB VAL B 170 -5.725 -25.552 23.169 1.00 3.82 C +ATOM 230 CG1 VAL B 170 -5.850 -26.744 22.241 1.00 3.74 C +ATOM 231 CG2 VAL B 170 -6.231 -24.288 22.480 1.00 3.16 C +ATOM 232 N LEU B 171 -4.800 -27.127 25.636 1.00 3.95 N +ATOM 233 CA LEU B 171 -4.178 -28.350 26.140 1.00 3.99 C +ATOM 234 C LEU B 171 -4.856 -28.869 27.402 1.00 4.06 C +ATOM 235 O LEU B 171 -5.192 -30.052 27.498 1.00 4.13 O +ATOM 236 CB LEU B 171 -2.692 -28.117 26.444 1.00 4.01 C +ATOM 237 CG LEU B 171 -1.752 -27.761 25.286 1.00 4.18 C +ATOM 238 CD1 LEU B 171 -0.320 -27.630 25.806 1.00 3.84 C +ATOM 239 CD2 LEU B 171 -1.823 -28.792 24.171 1.00 3.90 C +ATOM 240 N ASN B 172 -5.049 -27.984 28.373 1.00 4.06 N +ATOM 241 CA ASN B 172 -5.486 -28.402 29.700 1.00 4.14 C +ATOM 242 C ASN B 172 -7.005 -28.468 29.898 1.00 4.11 C +ATOM 243 O ASN B 172 -7.462 -28.705 31.016 1.00 4.22 O +ATOM 244 CB ASN B 172 -4.834 -27.515 30.771 1.00 4.21 C +ATOM 245 CG ASN B 172 -3.310 -27.665 30.816 1.00 4.59 C +ATOM 246 OD1 ASN B 172 -2.738 -28.606 30.251 1.00 4.84 O +ATOM 247 ND2 ASN B 172 -2.649 -26.734 31.499 1.00 4.53 N +ATOM 248 N SER B 173 -7.787 -28.284 28.834 1.00 4.03 N +ATOM 249 CA SER B 173 -9.236 -28.529 28.915 1.00 4.00 C +ATOM 250 C SER B 173 -9.810 -29.200 27.659 1.00 3.89 C +ATOM 251 O SER B 173 -10.397 -30.281 27.752 1.00 4.06 O +ATOM 252 CB SER B 173 -10.003 -27.245 29.258 1.00 3.94 C +ATOM 253 OG SER B 173 -9.999 -26.331 28.186 1.00 4.31 O +ATOM 254 N VAL B 174 -9.640 -28.582 26.494 1.00 3.64 N +ATOM 255 CA VAL B 174 -10.183 -29.155 25.258 1.00 3.48 C +ATOM 256 C VAL B 174 -9.556 -30.516 24.953 1.00 3.52 C +ATOM 257 O VAL B 174 -10.255 -31.446 24.545 1.00 3.54 O +ATOM 258 CB VAL B 174 -9.978 -28.227 24.038 1.00 3.47 C +ATOM 259 CG1 VAL B 174 -10.486 -28.897 22.766 1.00 3.29 C +ATOM 260 CG2 VAL B 174 -10.672 -26.894 24.252 1.00 3.24 C +ATOM 261 N LEU B 175 -8.241 -30.622 25.150 1.00 3.48 N +ATOM 262 CA LEU B 175 -7.504 -31.863 24.894 1.00 3.46 C +ATOM 263 C LEU B 175 -6.928 -32.464 26.181 1.00 3.43 C +ATOM 264 O LEU B 175 -5.856 -33.068 26.170 1.00 3.32 O +ATOM 265 CB LEU B 175 -6.379 -31.605 23.889 1.00 3.52 C +ATOM 266 CG LEU B 175 -6.793 -30.931 22.579 1.00 3.54 C +ATOM 267 CD1 LEU B 175 -5.571 -30.608 21.745 1.00 3.39 C +ATOM 268 CD2 LEU B 175 -7.760 -31.811 21.802 1.00 3.58 C +ATOM 269 N ARG B 176 -7.656 -32.313 27.284 1.00 3.45 N +ATOM 270 CA ARG B 176 -7.204 -32.815 28.583 1.00 3.49 C +ATOM 271 C ARG B 176 -7.262 -34.344 28.672 1.00 3.55 C +ATOM 272 O ARG B 176 -6.522 -34.946 29.448 1.00 3.60 O +ATOM 273 CB ARG B 176 -8.029 -32.183 29.713 1.00 3.55 C +ATOM 274 CG ARG B 176 -7.594 -32.549 31.136 1.00 3.25 C +ATOM 275 CD ARG B 176 -6.195 -32.042 31.465 1.00 3.08 C +ATOM 276 NE ARG B 176 -5.702 -32.578 32.732 1.00 2.91 N +ATOM 277 CZ ARG B 176 -5.264 -33.824 32.915 1.00 2.60 C +ATOM 278 NH1 ARG B 176 -5.254 -34.701 31.917 1.00 2.43 N +ATOM 279 NH2 ARG B 176 -4.840 -34.202 34.113 1.00 2.65 N +ATOM 280 N GLU B 177 -8.130 -34.967 27.876 1.00 3.65 N +ATOM 281 CA GLU B 177 -8.240 -36.430 27.846 1.00 3.72 C +ATOM 282 C GLU B 177 -7.092 -37.100 27.073 1.00 3.71 C +ATOM 283 O GLU B 177 -7.068 -38.324 26.941 1.00 3.82 O +ATOM 284 CB GLU B 177 -9.589 -36.856 27.254 1.00 3.75 C +ATOM 285 CG GLU B 177 -9.652 -36.811 25.727 1.00 4.24 C +ATOM 286 CD GLU B 177 -11.066 -36.956 25.182 1.00 4.50 C +ATOM 287 OE1 GLU B 177 -11.400 -38.054 24.678 1.00 4.66 O +ATOM 288 OE2 GLU B 177 -11.837 -35.972 25.259 1.00 4.45 O +ATOM 289 N PHE B 178 -6.160 -36.305 26.551 1.00 3.68 N +ATOM 290 CA PHE B 178 -4.979 -36.829 25.867 1.00 3.64 C +ATOM 291 C PHE B 178 -3.712 -36.335 26.560 1.00 3.60 C +ATOM 292 O PHE B 178 -3.634 -35.175 26.962 1.00 3.68 O +ATOM 293 CB PHE B 178 -4.980 -36.396 24.402 1.00 3.63 C +ATOM 294 CG PHE B 178 -6.261 -36.712 23.682 1.00 3.68 C +ATOM 295 CD1 PHE B 178 -6.525 -38.000 23.239 1.00 3.59 C +ATOM 296 CD2 PHE B 178 -7.209 -35.721 23.453 1.00 3.66 C +ATOM 297 CE1 PHE B 178 -7.710 -38.295 22.576 1.00 3.59 C +ATOM 298 CE2 PHE B 178 -8.391 -36.008 22.789 1.00 3.49 C +ATOM 299 CZ PHE B 178 -8.644 -37.296 22.353 1.00 3.48 C +ATOM 300 N THR B 179 -2.728 -37.222 26.694 1.00 3.52 N +ATOM 301 CA THR B 179 -1.480 -36.903 27.389 1.00 3.49 C +ATOM 302 C THR B 179 -0.640 -35.917 26.581 1.00 3.54 C +ATOM 303 O THR B 179 -0.787 -35.827 25.362 1.00 3.47 O +ATOM 304 CB THR B 179 -0.633 -38.176 27.672 1.00 3.56 C +ATOM 305 OG1 THR B 179 -0.102 -38.699 26.446 1.00 3.60 O +ATOM 306 CG2 THR B 179 -1.464 -39.254 28.368 1.00 3.30 C +ATOM 307 N LEU B 180 0.236 -35.180 27.264 1.00 3.59 N +ATOM 308 CA LEU B 180 1.154 -34.253 26.590 1.00 3.65 C +ATOM 309 C LEU B 180 2.032 -34.964 25.557 1.00 3.65 C +ATOM 310 O LEU B 180 2.313 -34.404 24.500 1.00 3.69 O +ATOM 311 CB LEU B 180 2.043 -33.505 27.593 1.00 3.55 C +ATOM 312 CG LEU B 180 1.421 -32.317 28.333 1.00 3.88 C +ATOM 313 CD1 LEU B 180 2.453 -31.685 29.262 1.00 3.75 C +ATOM 314 CD2 LEU B 180 0.855 -31.274 27.369 1.00 3.42 C +ATOM 315 N GLN B 181 2.459 -36.187 25.863 1.00 3.71 N +ATOM 316 CA GLN B 181 3.273 -36.980 24.933 1.00 3.79 C +ATOM 317 C GLN B 181 2.537 -37.206 23.614 1.00 3.73 C +ATOM 318 O GLN B 181 3.101 -36.984 22.543 1.00 3.72 O +ATOM 319 CB GLN B 181 3.667 -38.328 25.557 1.00 3.81 C +ATOM 320 CG GLN B 181 4.448 -39.257 24.624 1.00 4.09 C +ATOM 321 CD GLN B 181 4.985 -40.500 25.329 1.00 4.62 C +ATOM 322 OE1 GLN B 181 5.673 -40.406 26.351 1.00 4.78 O +ATOM 323 NE2 GLN B 181 4.682 -41.673 24.775 1.00 4.73 N +ATOM 324 N GLN B 182 1.276 -37.631 23.703 1.00 3.70 N +ATOM 325 CA AGLN B 182 0.450 -37.911 22.528 0.50 3.73 C +ATOM 326 CA BGLN B 182 0.489 -37.910 22.500 0.50 3.69 C +ATOM 327 C GLN B 182 -0.030 -36.628 21.838 1.00 3.74 C +ATOM 328 O GLN B 182 -0.472 -36.661 20.691 1.00 3.85 O +ATOM 329 CB AGLN B 182 -0.748 -38.778 22.927 0.50 3.72 C +ATOM 330 CB BGLN B 182 -0.650 -38.903 22.782 0.50 3.64 C +ATOM 331 CG AGLN B 182 -1.466 -39.434 21.756 0.50 3.85 C +ATOM 332 CG BGLN B 182 -1.762 -38.400 23.680 0.50 3.59 C +ATOM 333 CD AGLN B 182 -2.556 -40.386 22.201 0.50 4.06 C +ATOM 334 CD BGLN B 182 -2.833 -39.450 23.919 0.50 3.37 C +ATOM 335 OE1AGLN B 182 -2.608 -40.792 23.364 0.50 4.11 O +ATOM 336 OE1BGLN B 182 -3.061 -39.874 25.051 0.50 2.81 O +ATOM 337 NE2AGLN B 182 -3.439 -40.747 21.275 0.50 4.06 N +ATOM 338 NE2BGLN B 182 -3.492 -39.878 22.848 0.50 3.46 N +ATOM 339 N ILE B 183 0.036 -35.501 22.547 1.00 3.77 N +ATOM 340 CA ILE B 183 -0.262 -34.195 21.946 1.00 3.77 C +ATOM 341 C ILE B 183 0.915 -33.745 21.076 1.00 3.74 C +ATOM 342 O ILE B 183 0.725 -33.263 19.958 1.00 3.83 O +ATOM 343 CB ILE B 183 -0.532 -33.104 23.010 1.00 3.87 C +ATOM 344 CG1 ILE B 183 -1.898 -33.310 23.672 1.00 4.07 C +ATOM 345 CG2 ILE B 183 -0.470 -31.712 22.381 1.00 3.80 C +ATOM 346 CD1 ILE B 183 -3.066 -32.900 22.805 1.00 4.44 C +ATOM 347 N ASN B 184 2.128 -33.900 21.601 1.00 3.60 N +ATOM 348 CA ASN B 184 3.341 -33.510 20.882 1.00 3.55 C +ATOM 349 C ASN B 184 3.652 -34.438 19.707 1.00 3.53 C +ATOM 350 O ASN B 184 4.194 -33.998 18.693 1.00 3.42 O +ATOM 351 CB ASN B 184 4.542 -33.452 21.837 1.00 3.50 C +ATOM 352 CG ASN B 184 4.472 -32.277 22.806 1.00 3.40 C +ATOM 353 OD1 ASN B 184 3.908 -31.227 22.497 1.00 3.39 O +ATOM 354 ND2 ASN B 184 5.060 -32.450 23.982 1.00 3.29 N +ATOM 355 N THR B 185 3.312 -35.718 19.847 1.00 3.52 N +ATOM 356 CA THR B 185 3.515 -36.687 18.771 1.00 3.48 C +ATOM 357 C THR B 185 2.682 -36.315 17.545 1.00 3.46 C +ATOM 358 O THR B 185 3.176 -36.356 16.420 1.00 3.47 O +ATOM 359 CB THR B 185 3.159 -38.123 19.216 1.00 3.52 C +ATOM 360 OG1 THR B 185 3.979 -38.505 20.327 1.00 3.49 O +ATOM 361 CG2 THR B 185 3.373 -39.111 18.074 1.00 3.49 C +ATOM 362 N VAL B 186 1.423 -35.949 17.775 1.00 3.42 N +ATOM 363 CA VAL B 186 0.533 -35.501 16.702 1.00 3.40 C +ATOM 364 C VAL B 186 1.014 -34.182 16.085 1.00 3.46 C +ATOM 365 O VAL B 186 0.920 -33.993 14.873 1.00 3.44 O +ATOM 366 CB VAL B 186 -0.923 -35.349 17.207 1.00 3.33 C +ATOM 367 CG1 VAL B 186 -1.788 -34.651 16.173 1.00 3.20 C +ATOM 368 CG2 VAL B 186 -1.504 -36.710 17.550 1.00 3.06 C +ATOM 369 N CYS B 187 1.537 -33.286 16.920 1.00 3.54 N +ATOM 370 CA CYS B 187 2.041 -31.985 16.460 1.00 3.55 C +ATOM 371 C CYS B 187 3.246 -32.114 15.535 1.00 3.63 C +ATOM 372 O CYS B 187 3.282 -31.503 14.469 1.00 3.64 O +ATOM 373 CB CYS B 187 2.410 -31.094 17.648 1.00 3.57 C +ATOM 374 SG CYS B 187 1.005 -30.276 18.415 1.00 3.22 S +ATOM 375 N ASP B 188 4.230 -32.903 15.956 1.00 3.76 N +ATOM 376 CA ASP B 188 5.422 -33.166 15.145 1.00 3.81 C +ATOM 377 C ASP B 188 5.062 -33.887 13.849 1.00 3.78 C +ATOM 378 O ASP B 188 5.675 -33.652 12.807 1.00 3.78 O +ATOM 379 CB ASP B 188 6.437 -34.002 15.933 1.00 3.87 C +ATOM 380 CG ASP B 188 7.029 -33.248 17.111 1.00 4.22 C +ATOM 381 OD1 ASP B 188 8.147 -33.603 17.542 1.00 4.89 O +ATOM 382 OD2 ASP B 188 6.381 -32.298 17.605 1.00 4.56 O +ATOM 383 N GLU B 189 4.061 -34.760 13.932 1.00 3.75 N +ATOM 384 CA GLU B 189 3.588 -35.538 12.787 1.00 3.76 C +ATOM 385 C GLU B 189 2.808 -34.675 11.792 1.00 3.66 C +ATOM 386 O GLU B 189 2.996 -34.796 10.579 1.00 3.50 O +ATOM 387 CB GLU B 189 2.723 -36.697 13.284 1.00 3.83 C +ATOM 388 CG GLU B 189 2.254 -37.653 12.202 1.00 4.29 C +ATOM 389 CD GLU B 189 1.779 -38.988 12.761 1.00 4.90 C +ATOM 390 OE1 GLU B 189 1.467 -39.062 13.975 1.00 4.39 O +ATOM 391 OE2 GLU B 189 1.723 -39.964 11.973 1.00 5.41 O +ATOM 392 N LEU B 190 1.936 -33.810 12.311 1.00 3.54 N +ATOM 393 CA LEU B 190 1.180 -32.869 11.479 1.00 3.50 C +ATOM 394 C LEU B 190 1.952 -31.574 11.209 1.00 3.46 C +ATOM 395 O LEU B 190 1.449 -30.688 10.519 1.00 3.42 O +ATOM 396 CB LEU B 190 -0.155 -32.523 12.144 1.00 3.50 C +ATOM 397 CG LEU B 190 -1.141 -33.667 12.381 1.00 3.46 C +ATOM 398 CD1 LEU B 190 -2.294 -33.174 13.245 1.00 3.39 C +ATOM 399 CD2 LEU B 190 -1.652 -34.246 11.070 1.00 3.14 C +ATOM 400 N TYR B 191 3.161 -31.467 11.759 1.00 3.46 N +ATOM 401 CA TYR B 191 4.007 -30.276 11.605 1.00 3.51 C +ATOM 402 C TYR B 191 3.326 -29.004 12.134 1.00 3.52 C +ATOM 403 O TYR B 191 3.370 -27.950 11.496 1.00 3.50 O +ATOM 404 CB TYR B 191 4.455 -30.109 10.143 1.00 3.52 C +ATOM 405 CG TYR B 191 5.285 -31.270 9.631 1.00 3.60 C +ATOM 406 CD1 TYR B 191 6.659 -31.320 9.853 1.00 3.68 C +ATOM 407 CD2 TYR B 191 4.697 -32.317 8.923 1.00 3.64 C +ATOM 408 CE1 TYR B 191 7.428 -32.383 9.389 1.00 3.58 C +ATOM 409 CE2 TYR B 191 5.460 -33.388 8.453 1.00 3.45 C +ATOM 410 CZ TYR B 191 6.824 -33.412 8.692 1.00 3.53 C +ATOM 411 OH TYR B 191 7.589 -34.462 8.234 1.00 3.57 O +ATOM 412 N ILE B 192 2.699 -29.125 13.305 1.00 3.54 N +ATOM 413 CA ILE B 192 2.103 -27.994 14.015 1.00 3.53 C +ATOM 414 C ILE B 192 3.130 -27.397 14.971 1.00 3.61 C +ATOM 415 O ILE B 192 3.657 -28.111 15.827 1.00 3.62 O +ATOM 416 CB ILE B 192 0.877 -28.433 14.845 1.00 3.57 C +ATOM 417 CG1 ILE B 192 -0.254 -28.899 13.931 1.00 3.53 C +ATOM 418 CG2 ILE B 192 0.385 -27.295 15.739 1.00 3.31 C +ATOM 419 CD1 ILE B 192 -1.372 -29.598 14.670 1.00 3.25 C +ATOM 420 N TYR B 193 3.400 -26.097 14.822 1.00 3.65 N +ATOM 421 CA ATYR B 193 4.361 -25.377 15.673 0.50 3.71 C +ATOM 422 CA BTYR B 193 4.350 -25.396 15.680 0.50 3.68 C +ATOM 423 C TYR B 193 3.679 -24.226 16.403 1.00 3.74 C +ATOM 424 O TYR B 193 3.049 -23.372 15.777 1.00 3.86 O +ATOM 425 CB ATYR B 193 5.531 -24.815 14.854 0.50 3.71 C +ATOM 426 CB BTYR B 193 5.535 -24.910 14.849 0.50 3.64 C +ATOM 427 CG ATYR B 193 6.276 -23.697 15.569 0.50 3.80 C +ATOM 428 CG BTYR B 193 6.232 -26.021 14.092 0.50 3.55 C +ATOM 429 CD1ATYR B 193 5.942 -22.362 15.354 0.50 4.00 C +ATOM 430 CD1BTYR B 193 7.324 -26.682 14.640 0.50 3.44 C +ATOM 431 CD2ATYR B 193 7.289 -23.977 16.478 0.50 3.80 C +ATOM 432 CD2BTYR B 193 5.801 -26.405 12.828 0.50 3.29 C +ATOM 433 CE1ATYR B 193 6.603 -21.341 16.014 0.50 4.01 C +ATOM 434 CE1BTYR B 193 7.964 -27.692 13.954 0.50 3.34 C +ATOM 435 CE2ATYR B 193 7.957 -22.962 17.142 0.50 3.78 C +ATOM 436 CE2BTYR B 193 6.437 -27.414 12.136 0.50 3.33 C +ATOM 437 CZ ATYR B 193 7.610 -21.646 16.904 0.50 3.96 C +ATOM 438 CZ BTYR B 193 7.516 -28.053 12.704 0.50 3.26 C +ATOM 439 OH ATYR B 193 8.269 -20.630 17.559 0.50 3.97 O +ATOM 440 OH BTYR B 193 8.154 -29.060 12.022 0.50 3.33 O +ATOM 441 N CYS B 194 3.828 -24.189 17.724 1.00 3.76 N +ATOM 442 CA CYS B 194 3.206 -23.153 18.542 1.00 3.89 C +ATOM 443 C CYS B 194 4.155 -21.982 18.771 1.00 3.80 C +ATOM 444 O CYS B 194 5.323 -22.183 19.094 1.00 3.82 O +ATOM 445 CB CYS B 194 2.775 -23.742 19.882 1.00 3.83 C +ATOM 446 SG CYS B 194 1.719 -25.189 19.693 1.00 4.46 S +ATOM 447 N SER B 195 3.644 -20.765 18.601 1.00 3.69 N +ATOM 448 CA SER B 195 4.429 -19.563 18.849 1.00 3.71 C +ATOM 449 C SER B 195 4.337 -19.171 20.324 1.00 3.83 C +ATOM 450 O SER B 195 3.642 -19.820 21.110 1.00 3.95 O +ATOM 451 CB SER B 195 3.978 -18.411 17.934 1.00 3.64 C +ATOM 452 OG SER B 195 2.695 -17.911 18.277 1.00 3.80 O +ATOM 453 N ARG B 196 5.046 -18.108 20.688 1.00 3.91 N +ATOM 454 CA ARG B 196 5.115 -17.637 22.067 1.00 3.84 C +ATOM 455 C ARG B 196 4.509 -16.237 22.187 1.00 3.75 C +ATOM 456 O ARG B 196 4.713 -15.391 21.323 1.00 3.70 O +ATOM 457 CB ARG B 196 6.579 -17.633 22.525 1.00 3.92 C +ATOM 458 CG ARG B 196 6.798 -17.099 23.926 1.00 4.30 C +ATOM 459 CD ARG B 196 7.969 -17.777 24.627 0.70 4.69 C +ATOM 460 NE ARG B 196 7.619 -19.125 25.087 0.70 5.07 N +ATOM 461 CZ ARG B 196 8.237 -19.787 26.067 0.70 5.35 C +ATOM 462 NH1 ARG B 196 9.261 -19.245 26.728 0.70 5.46 N +ATOM 463 NH2 ARG B 196 7.824 -21.008 26.397 0.70 5.30 N +ATOM 464 N CYS B 197 3.753 -16.005 23.257 1.00 3.83 N +ATOM 465 CA CYS B 197 3.192 -14.684 23.534 1.00 3.89 C +ATOM 466 C CYS B 197 4.290 -13.639 23.686 1.00 3.71 C +ATOM 467 O CYS B 197 5.347 -13.917 24.244 1.00 3.76 O +ATOM 468 CB CYS B 197 2.358 -14.698 24.820 1.00 3.94 C +ATOM 469 SG CYS B 197 0.662 -15.310 24.643 1.00 5.12 S +ATOM 470 N THR B 198 4.024 -12.435 23.187 1.00 3.55 N +ATOM 471 CA THR B 198 4.856 -11.275 23.486 1.00 3.32 C +ATOM 472 C THR B 198 4.607 -10.841 24.927 1.00 3.28 C +ATOM 473 O THR B 198 3.662 -11.300 25.566 1.00 3.23 O +ATOM 474 CB THR B 198 4.529 -10.085 22.562 1.00 3.34 C +ATOM 475 OG1 THR B 198 3.158 -9.703 22.737 1.00 2.84 O +ATOM 476 CG2 THR B 198 4.779 -10.447 21.100 1.00 2.94 C +ATOM 477 N SER B 199 5.460 -9.955 25.429 1.00 3.25 N +ATOM 478 CA ASER B 199 5.318 -9.419 26.778 0.50 3.23 C +ATOM 479 CA BSER B 199 5.310 -9.423 26.785 0.50 3.23 C +ATOM 480 C SER B 199 3.913 -8.848 26.994 1.00 3.21 C +ATOM 481 O SER B 199 3.263 -9.134 28.000 1.00 3.04 O +ATOM 482 CB ASER B 199 6.365 -8.332 27.023 0.50 3.19 C +ATOM 483 CB BSER B 199 6.359 -8.347 27.076 0.50 3.19 C +ATOM 484 OG ASER B 199 6.440 -8.000 28.395 0.50 3.39 O +ATOM 485 OG BSER B 199 7.557 -8.930 27.553 0.50 3.38 O +ATOM 486 N ASP B 200 3.463 -8.045 26.035 1.00 3.16 N +ATOM 487 CA ASP B 200 2.162 -7.387 26.104 1.00 3.20 C +ATOM 488 C ASP B 200 1.006 -8.372 26.000 1.00 3.16 C +ATOM 489 O ASP B 200 -0.009 -8.207 26.674 1.00 3.05 O +ATOM 490 CB ASP B 200 2.032 -6.337 24.994 1.00 3.26 C +ATOM 491 CG ASP B 200 3.018 -5.190 25.148 1.00 3.19 C +ATOM 492 OD1 ASP B 200 3.529 -4.976 26.270 1.00 3.03 O +ATOM 493 OD2 ASP B 200 3.274 -4.495 24.142 1.00 3.22 O +ATOM 494 N GLN B 201 1.159 -9.382 25.147 1.00 3.11 N +ATOM 495 CA GLN B 201 0.134 -10.411 24.972 1.00 3.09 C +ATOM 496 C GLN B 201 -0.054 -11.223 26.250 1.00 3.11 C +ATOM 497 O GLN B 201 -1.182 -11.451 26.683 1.00 3.33 O +ATOM 498 CB GLN B 201 0.480 -11.334 23.797 1.00 3.05 C +ATOM 499 CG GLN B 201 0.145 -10.733 22.440 1.00 3.00 C +ATOM 500 CD GLN B 201 0.681 -11.537 21.271 1.00 2.83 C +ATOM 501 OE1 GLN B 201 1.626 -12.314 21.411 1.00 3.15 O +ATOM 502 NE2 GLN B 201 0.082 -11.344 20.100 1.00 2.23 N +ATOM 503 N LEU B 202 1.055 -11.647 26.850 1.00 3.09 N +ATOM 504 CA LEU B 202 1.034 -12.393 28.109 1.00 3.00 C +ATOM 505 C LEU B 202 0.333 -11.601 29.211 1.00 3.08 C +ATOM 506 O LEU B 202 -0.466 -12.154 29.972 1.00 3.06 O +ATOM 507 CB LEU B 202 2.466 -12.726 28.549 1.00 2.98 C +ATOM 508 CG LEU B 202 2.645 -13.479 29.871 1.00 2.63 C +ATOM 509 CD1 LEU B 202 2.125 -14.900 29.749 1.00 2.14 C +ATOM 510 CD2 LEU B 202 4.106 -13.473 30.304 1.00 2.12 C +ATOM 511 N HIS B 203 0.626 -10.307 29.286 1.00 3.11 N +ATOM 512 CA HIS B 203 0.144 -9.487 30.392 1.00 3.14 C +ATOM 513 C HIS B 203 -1.368 -9.272 30.377 1.00 3.26 C +ATOM 514 O HIS B 203 -2.001 -9.271 31.438 1.00 3.24 O +ATOM 515 CB HIS B 203 0.852 -8.130 30.439 1.00 3.03 C +ATOM 516 CG HIS B 203 0.562 -7.357 31.689 1.00 2.68 C +ATOM 517 ND1 HIS B 203 -0.418 -6.392 31.757 1.00 2.00 N +ATOM 518 CD2 HIS B 203 1.098 -7.436 32.930 1.00 2.27 C +ATOM 519 CE1 HIS B 203 -0.458 -5.895 32.980 1.00 2.00 C +ATOM 520 NE2 HIS B 203 0.449 -6.513 33.712 1.00 2.00 N +ATOM 521 N ILE B 204 -1.950 -9.086 29.194 1.00 3.33 N +ATOM 522 CA AILE B 204 -3.394 -8.843 29.109 0.50 3.44 C +ATOM 523 CA BILE B 204 -3.391 -8.848 29.078 0.50 3.39 C +ATOM 524 C ILE B 204 -4.193 -10.125 29.367 1.00 3.40 C +ATOM 525 O ILE B 204 -5.323 -10.064 29.842 1.00 3.38 O +ATOM 526 CB AILE B 204 -3.825 -8.180 27.776 0.50 3.49 C +ATOM 527 CB BILE B 204 -3.756 -8.273 27.689 0.50 3.38 C +ATOM 528 CG1AILE B 204 -3.813 -9.166 26.611 0.50 3.56 C +ATOM 529 CG1BILE B 204 -5.194 -7.747 27.688 0.50 3.25 C +ATOM 530 CG2AILE B 204 -2.933 -6.997 27.453 0.50 3.51 C +ATOM 531 CG2BILE B 204 -3.552 -9.315 26.596 0.50 3.36 C +ATOM 532 CD1AILE B 204 -4.723 -8.732 25.504 0.50 3.87 C +ATOM 533 CD1BILE B 204 -5.497 -6.838 26.525 0.50 3.13 C +ATOM 534 N LEU B 205 -3.600 -11.282 29.068 1.00 3.37 N +ATOM 535 CA LEU B 205 -4.224 -12.570 29.393 1.00 3.27 C +ATOM 536 C LEU B 205 -4.363 -12.715 30.911 1.00 3.18 C +ATOM 537 O LEU B 205 -5.299 -13.350 31.393 1.00 3.45 O +ATOM 538 CB LEU B 205 -3.415 -13.749 28.819 1.00 3.23 C +ATOM 539 CG LEU B 205 -3.480 -14.003 27.307 1.00 2.83 C +ATOM 540 CD1 LEU B 205 -2.393 -14.970 26.882 1.00 2.75 C +ATOM 541 CD2 LEU B 205 -4.837 -14.533 26.889 1.00 2.07 C +ATOM 542 N LYS B 206 -3.435 -12.117 31.654 1.00 3.02 N +ATOM 543 CA LYS B 206 -3.507 -12.087 33.114 1.00 3.01 C +ATOM 544 C LYS B 206 -4.570 -11.090 33.590 1.00 3.07 C +ATOM 545 O LYS B 206 -5.436 -11.428 34.401 1.00 2.84 O +ATOM 546 CB LYS B 206 -2.145 -11.734 33.715 1.00 2.97 C +ATOM 547 CG LYS B 206 -1.076 -12.806 33.494 1.00 2.83 C +ATOM 548 CD LYS B 206 0.324 -12.287 33.777 1.00 2.53 C +ATOM 549 CE LYS B 206 1.380 -13.388 33.618 1.00 2.16 C +ATOM 550 NZ LYS B 206 2.725 -12.949 34.072 1.00 2.00 N +ATOM 551 N VAL B 207 -4.499 -9.870 33.068 1.00 3.04 N +ATOM 552 CA VAL B 207 -5.409 -8.794 33.454 1.00 2.86 C +ATOM 553 C VAL B 207 -6.867 -9.153 33.159 1.00 2.98 C +ATOM 554 O VAL B 207 -7.751 -8.908 33.980 1.00 2.82 O +ATOM 555 CB VAL B 207 -5.027 -7.481 32.743 1.00 2.90 C +ATOM 556 CG1 VAL B 207 -6.079 -6.410 32.939 1.00 2.28 C +ATOM 557 CG2 VAL B 207 -3.664 -6.995 33.234 1.00 2.81 C +ATOM 558 N LEU B 208 -7.114 -9.756 32.000 1.00 3.01 N +ATOM 559 CA LEU B 208 -8.470 -10.165 31.623 1.00 2.95 C +ATOM 560 C LEU B 208 -8.848 -11.545 32.166 1.00 2.95 C +ATOM 561 O LEU B 208 -9.796 -12.165 31.695 1.00 2.88 O +ATOM 562 CB LEU B 208 -8.638 -10.115 30.105 1.00 2.89 C +ATOM 563 CG LEU B 208 -8.509 -8.718 29.502 1.00 2.80 C +ATOM 564 CD1 LEU B 208 -8.566 -8.791 27.988 1.00 2.66 C +ATOM 565 CD2 LEU B 208 -9.589 -7.795 30.039 1.00 2.27 C +ATOM 566 N GLY B 209 -8.095 -12.025 33.149 1.00 3.15 N +ATOM 567 CA GLY B 209 -8.512 -13.159 33.972 1.00 3.28 C +ATOM 568 C GLY B 209 -8.286 -14.554 33.419 1.00 3.45 C +ATOM 569 O GLY B 209 -8.708 -15.529 34.040 1.00 3.43 O +ATOM 570 N ILE B 210 -7.604 -14.661 32.278 1.00 3.54 N +ATOM 571 CA ILE B 210 -7.434 -15.946 31.601 1.00 3.64 C +ATOM 572 C ILE B 210 -6.300 -16.765 32.198 1.00 3.83 C +ATOM 573 O ILE B 210 -6.475 -17.957 32.473 1.00 4.23 O +ATOM 574 CB ILE B 210 -7.165 -15.760 30.091 1.00 3.73 C +ATOM 575 CG1 ILE B 210 -8.305 -14.963 29.436 1.00 3.72 C +ATOM 576 CG2 ILE B 210 -6.972 -17.113 29.411 1.00 3.66 C +ATOM 577 CD1 ILE B 210 -9.719 -15.458 29.781 1.00 2.70 C +ATOM 578 N LEU B 211 -5.142 -16.131 32.388 1.00 3.59 N +ATOM 579 CA LEU B 211 -3.974 -16.793 32.953 1.00 3.46 C +ATOM 580 C LEU B 211 -3.691 -16.336 34.386 1.00 3.37 C +ATOM 581 O LEU B 211 -4.016 -15.204 34.760 1.00 3.17 O +ATOM 582 CB LEU B 211 -2.729 -16.516 32.094 1.00 3.60 C +ATOM 583 CG LEU B 211 -2.652 -17.141 30.697 1.00 3.52 C +ATOM 584 CD1 LEU B 211 -1.269 -16.922 30.084 1.00 3.61 C +ATOM 585 CD2 LEU B 211 -2.982 -18.621 30.739 1.00 3.67 C +ATOM 586 N PRO B 212 -3.067 -17.214 35.192 1.00 3.20 N +ATOM 587 CA PRO B 212 -2.599 -16.800 36.505 1.00 3.22 C +ATOM 588 C PRO B 212 -1.431 -15.828 36.379 1.00 3.24 C +ATOM 589 O PRO B 212 -0.618 -15.955 35.456 1.00 3.16 O +ATOM 590 CB PRO B 212 -2.152 -18.114 37.152 1.00 3.38 C +ATOM 591 CG PRO B 212 -1.835 -19.013 36.028 1.00 3.34 C +ATOM 592 CD PRO B 212 -2.725 -18.617 34.896 1.00 3.19 C +ATOM 593 N PHE B 213 -1.350 -14.873 37.301 1.00 3.19 N +ATOM 594 CA PHE B 213 -0.371 -13.786 37.207 1.00 3.31 C +ATOM 595 C PHE B 213 1.095 -14.231 37.308 1.00 3.28 C +ATOM 596 O PHE B 213 1.976 -13.499 36.882 1.00 3.24 O +ATOM 597 CB PHE B 213 -0.662 -12.687 38.240 1.00 3.26 C +ATOM 598 CG PHE B 213 -1.538 -11.578 37.716 1.00 3.17 C +ATOM 599 CD1 PHE B 213 -2.919 -11.678 37.776 1.00 3.03 C +ATOM 600 CD2 PHE B 213 -0.977 -10.434 37.172 1.00 2.92 C +ATOM 601 CE1 PHE B 213 -3.725 -10.661 37.298 1.00 3.24 C +ATOM 602 CE2 PHE B 213 -1.775 -9.409 36.691 1.00 2.87 C +ATOM 603 CZ PHE B 213 -3.151 -9.523 36.755 1.00 3.51 C +ATOM 604 N ASN B 214 1.350 -15.412 37.870 1.00 3.40 N +ATOM 605 CA ASN B 214 2.714 -15.953 37.934 1.00 3.51 C +ATOM 606 C ASN B 214 3.227 -16.493 36.604 1.00 3.59 C +ATOM 607 O ASN B 214 4.440 -16.661 36.439 1.00 3.91 O +ATOM 608 CB ASN B 214 2.821 -17.058 38.991 1.00 3.44 C +ATOM 609 CG ASN B 214 2.828 -16.517 40.411 1.00 3.39 C +ATOM 610 OD1 ASN B 214 2.753 -15.307 40.631 1.00 3.83 O +ATOM 611 ND2 ASN B 214 2.913 -17.415 41.382 1.00 2.70 N +ATOM 612 N ALA B 215 2.320 -16.775 35.670 1.00 3.57 N +ATOM 613 CA ALA B 215 2.690 -17.365 34.378 1.00 3.60 C +ATOM 614 C ALA B 215 3.920 -16.673 33.789 1.00 3.63 C +ATOM 615 O ALA B 215 3.857 -15.495 33.451 1.00 3.58 O +ATOM 616 CB ALA B 215 1.526 -17.281 33.400 1.00 3.53 C +ATOM 617 N PRO B 216 5.046 -17.400 33.677 1.00 3.75 N +ATOM 618 CA PRO B 216 6.266 -16.795 33.158 1.00 3.72 C +ATOM 619 C PRO B 216 6.203 -16.555 31.651 1.00 3.76 C +ATOM 620 O PRO B 216 6.883 -15.662 31.142 1.00 3.87 O +ATOM 621 CB PRO B 216 7.338 -17.829 33.506 1.00 3.69 C +ATOM 622 CG PRO B 216 6.626 -19.116 33.520 1.00 3.51 C +ATOM 623 CD PRO B 216 5.229 -18.835 33.968 1.00 3.85 C +ATOM 624 N SER B 217 5.396 -17.354 30.957 1.00 3.76 N +ATOM 625 CA SER B 217 5.216 -17.231 29.513 1.00 3.78 C +ATOM 626 C SER B 217 3.923 -17.920 29.089 1.00 3.81 C +ATOM 627 O SER B 217 3.203 -18.466 29.927 1.00 4.07 O +ATOM 628 CB SER B 217 6.404 -17.858 28.787 1.00 3.89 C +ATOM 629 OG SER B 217 6.447 -19.253 29.022 1.00 4.17 O +ATOM 630 N CYS B 218 3.614 -17.881 27.797 1.00 3.81 N +ATOM 631 CA CYS B 218 2.410 -18.535 27.285 1.00 3.83 C +ATOM 632 C CYS B 218 2.476 -18.796 25.787 1.00 3.62 C +ATOM 633 O CYS B 218 2.755 -17.892 25.001 1.00 3.58 O +ATOM 634 CB CYS B 218 1.177 -17.690 27.585 1.00 3.95 C +ATOM 635 SG CYS B 218 -0.382 -18.491 27.137 1.00 5.08 S +ATOM 636 N GLY B 219 2.192 -20.035 25.403 1.00 3.54 N +ATOM 637 CA GLY B 219 2.208 -20.441 24.004 1.00 3.55 C +ATOM 638 C GLY B 219 0.938 -20.087 23.249 1.00 3.57 C +ATOM 639 O GLY B 219 -0.132 -19.907 23.850 1.00 3.41 O +ATOM 640 N LEU B 220 1.064 -19.986 21.924 1.00 3.48 N +ATOM 641 CA LEU B 220 -0.080 -19.712 21.043 1.00 3.32 C +ATOM 642 C LEU B 220 -0.138 -20.713 19.889 1.00 3.24 C +ATOM 643 O LEU B 220 0.890 -21.051 19.294 1.00 3.08 O +ATOM 644 CB LEU B 220 0.001 -18.294 20.475 1.00 3.17 C +ATOM 645 CG LEU B 220 -0.019 -17.125 21.457 1.00 3.07 C +ATOM 646 CD1 LEU B 220 0.328 -15.837 20.732 1.00 2.00 C +ATOM 647 CD2 LEU B 220 -1.384 -17.015 22.175 1.00 2.83 C +ATOM 648 N ILE B 221 -1.347 -21.176 19.579 1.00 3.08 N +ATOM 649 CA ILE B 221 -1.582 -22.088 18.460 1.00 3.02 C +ATOM 650 C ILE B 221 -2.604 -21.452 17.518 1.00 3.15 C +ATOM 651 O ILE B 221 -3.542 -20.824 17.975 1.00 3.30 O +ATOM 652 CB ILE B 221 -2.063 -23.472 18.962 1.00 2.92 C +ATOM 653 CG1 ILE B 221 -2.205 -24.456 17.798 1.00 2.54 C +ATOM 654 CG2 ILE B 221 -3.377 -23.353 19.754 1.00 2.80 C +ATOM 655 CD1 ILE B 221 -2.356 -25.896 18.246 1.00 2.10 C +ATOM 656 N THR B 222 -2.409 -21.592 16.208 1.00 3.36 N +ATOM 657 CA THR B 222 -3.342 -21.005 15.236 1.00 3.37 C +ATOM 658 C THR B 222 -4.653 -21.781 15.256 1.00 3.44 C +ATOM 659 O THR B 222 -4.666 -22.973 15.559 1.00 3.45 O +ATOM 660 CB THR B 222 -2.782 -21.002 13.786 1.00 3.45 C +ATOM 661 OG1 THR B 222 -2.714 -22.342 13.280 1.00 3.30 O +ATOM 662 CG2 THR B 222 -1.397 -20.354 13.725 1.00 3.18 C +ATOM 663 N LEU B 223 -5.754 -21.105 14.940 1.00 3.53 N +ATOM 664 CA LEU B 223 -7.065 -21.755 14.910 1.00 3.59 C +ATOM 665 C LEU B 223 -7.029 -22.959 13.969 1.00 3.65 C +ATOM 666 O LEU B 223 -7.506 -24.043 14.307 1.00 3.74 O +ATOM 667 CB LEU B 223 -8.158 -20.769 14.476 1.00 3.51 C +ATOM 668 CG LEU B 223 -9.567 -21.347 14.291 1.00 3.56 C +ATOM 669 CD1 LEU B 223 -10.031 -22.092 15.540 1.00 3.47 C +ATOM 670 CD2 LEU B 223 -10.553 -20.251 13.924 1.00 3.45 C +ATOM 671 N THR B 224 -6.442 -22.762 12.795 1.00 3.71 N +ATOM 672 CA THR B 224 -6.318 -23.830 11.810 1.00 3.80 C +ATOM 673 C THR B 224 -5.584 -25.041 12.391 1.00 3.86 C +ATOM 674 O THR B 224 -6.118 -26.152 12.386 1.00 3.84 O +ATOM 675 CB THR B 224 -5.602 -23.332 10.542 1.00 3.73 C +ATOM 676 OG1 THR B 224 -6.391 -22.305 9.929 1.00 3.48 O +ATOM 677 CG2 THR B 224 -5.397 -24.469 9.556 1.00 3.67 C +ATOM 678 N ASP B 225 -4.373 -24.817 12.901 1.00 3.88 N +ATOM 679 CA ASP B 225 -3.587 -25.892 13.526 1.00 3.87 C +ATOM 680 C ASP B 225 -4.310 -26.532 14.708 1.00 3.75 C +ATOM 681 O ASP B 225 -4.214 -27.743 14.922 1.00 3.63 O +ATOM 682 CB ASP B 225 -2.226 -25.376 14.001 1.00 3.97 C +ATOM 683 CG ASP B 225 -1.237 -25.171 12.863 1.00 4.09 C +ATOM 684 OD1 ASP B 225 -1.326 -25.874 11.831 1.00 4.61 O +ATOM 685 OD2 ASP B 225 -0.353 -24.303 13.012 1.00 4.21 O +ATOM 686 N ALA B 226 -5.024 -25.712 15.473 1.00 3.69 N +ATOM 687 CA ALA B 226 -5.763 -26.194 16.634 1.00 3.60 C +ATOM 688 C ALA B 226 -6.866 -27.153 16.191 1.00 3.61 C +ATOM 689 O ALA B 226 -7.088 -28.196 16.819 1.00 3.54 O +ATOM 690 CB ALA B 226 -6.345 -25.023 17.410 1.00 3.61 C +ATOM 691 N GLN B 227 -7.543 -26.795 15.101 1.00 3.54 N +ATOM 692 CA GLN B 227 -8.610 -27.620 14.540 1.00 3.49 C +ATOM 693 C GLN B 227 -8.069 -28.920 13.942 1.00 3.46 C +ATOM 694 O GLN B 227 -8.716 -29.962 14.051 1.00 3.47 O +ATOM 695 CB GLN B 227 -9.433 -26.821 13.519 1.00 3.42 C +ATOM 696 CG GLN B 227 -10.352 -25.787 14.193 1.00 3.71 C +ATOM 697 CD GLN B 227 -11.057 -24.848 13.220 1.00 3.81 C +ATOM 698 OE1 GLN B 227 -10.536 -24.521 12.156 1.00 4.14 O +ATOM 699 NE2 GLN B 227 -12.248 -24.401 13.596 1.00 4.01 N +ATOM 700 N ARG B 228 -6.883 -28.859 13.332 1.00 3.44 N +ATOM 701 CA ARG B 228 -6.194 -30.060 12.838 1.00 3.34 C +ATOM 702 C ARG B 228 -5.808 -30.981 13.988 1.00 3.24 C +ATOM 703 O ARG B 228 -6.031 -32.190 13.927 1.00 3.10 O +ATOM 704 CB ARG B 228 -4.926 -29.686 12.068 1.00 3.35 C +ATOM 705 CG ARG B 228 -5.167 -28.988 10.743 1.00 3.52 C +ATOM 706 CD ARG B 228 -3.890 -28.354 10.227 1.00 3.66 C +ATOM 707 NE ARG B 228 -2.916 -29.356 9.789 1.00 3.78 N +ATOM 708 CZ ARG B 228 -1.592 -29.223 9.863 1.00 3.53 C +ATOM 709 NH1 ARG B 228 -1.034 -28.125 10.374 1.00 3.03 N +ATOM 710 NH2 ARG B 228 -0.815 -30.208 9.427 1.00 4.11 N +ATOM 711 N LEU B 229 -5.211 -30.393 15.023 1.00 3.24 N +ATOM 712 CA LEU B 229 -4.808 -31.125 16.224 1.00 3.21 C +ATOM 713 C LEU B 229 -5.993 -31.831 16.863 1.00 3.26 C +ATOM 714 O LEU B 229 -5.908 -33.012 17.197 1.00 3.21 O +ATOM 715 CB LEU B 229 -4.181 -30.171 17.240 1.00 3.21 C +ATOM 716 CG LEU B 229 -3.707 -30.780 18.561 1.00 3.07 C +ATOM 717 CD1 LEU B 229 -2.580 -31.771 18.324 1.00 2.80 C +ATOM 718 CD2 LEU B 229 -3.267 -29.683 19.513 1.00 3.05 C +ATOM 719 N CYS B 230 -7.088 -31.091 17.035 1.00 3.32 N +ATOM 720 CA CYS B 230 -8.324 -31.638 17.596 1.00 3.40 C +ATOM 721 C CYS B 230 -8.864 -32.795 16.756 1.00 3.34 C +ATOM 722 O CYS B 230 -9.220 -33.838 17.303 1.00 3.35 O +ATOM 723 CB CYS B 230 -9.393 -30.547 17.731 1.00 3.44 C +ATOM 724 SG CYS B 230 -9.144 -29.415 19.126 1.00 3.92 S +ATOM 725 N ASN B 231 -8.919 -32.604 15.437 1.00 3.29 N +ATOM 726 CA ASN B 231 -9.386 -33.645 14.512 1.00 3.25 C +ATOM 727 C ASN B 231 -8.664 -34.968 14.718 1.00 3.29 C +ATOM 728 O ASN B 231 -9.293 -36.011 14.893 1.00 3.25 O +ATOM 729 CB ASN B 231 -9.183 -33.220 13.054 1.00 3.20 C +ATOM 730 CG ASN B 231 -10.158 -32.155 12.603 1.00 2.99 C +ATOM 731 OD1 ASN B 231 -11.212 -31.955 13.202 1.00 2.95 O +ATOM 732 ND2 ASN B 231 -9.807 -31.465 11.525 1.00 2.75 N +ATOM 733 N ALA B 232 -7.336 -34.909 14.691 1.00 3.31 N +ATOM 734 CA ALA B 232 -6.498 -36.105 14.772 1.00 3.34 C +ATOM 735 C ALA B 232 -6.719 -36.912 16.055 1.00 3.38 C +ATOM 736 O ALA B 232 -6.692 -38.144 16.028 1.00 3.41 O +ATOM 737 CB ALA B 232 -5.028 -35.721 14.637 1.00 3.33 C +ATOM 738 N LEU B 233 -6.951 -36.217 17.166 1.00 3.40 N +ATOM 739 CA LEU B 233 -7.031 -36.853 18.486 1.00 3.40 C +ATOM 740 C LEU B 233 -8.440 -37.306 18.855 1.00 3.46 C +ATOM 741 O LEU B 233 -8.623 -38.395 19.403 1.00 3.43 O +ATOM 742 CB LEU B 233 -6.511 -35.895 19.554 1.00 3.36 C +ATOM 743 CG LEU B 233 -5.022 -35.570 19.463 1.00 3.22 C +ATOM 744 CD1 LEU B 233 -4.701 -34.359 20.316 1.00 3.33 C +ATOM 745 CD2 LEU B 233 -4.183 -36.768 19.878 1.00 2.73 C +ATOM 746 N LEU B 234 -9.426 -36.462 18.565 1.00 3.56 N +ATOM 747 CA LEU B 234 -10.821 -36.745 18.902 1.00 3.62 C +ATOM 748 C LEU B 234 -11.513 -37.591 17.837 1.00 3.65 C +ATOM 749 O LEU B 234 -12.377 -38.406 18.160 1.00 3.67 O +ATOM 750 CB LEU B 234 -11.596 -35.439 19.116 1.00 3.62 C +ATOM 751 CG LEU B 234 -11.197 -34.636 20.360 1.00 3.59 C +ATOM 752 CD1 LEU B 234 -11.745 -33.215 20.300 1.00 3.43 C +ATOM 753 CD2 LEU B 234 -11.664 -35.342 21.628 1.00 3.32 C +ATOM 754 N ARG B 235 -11.135 -37.393 16.575 1.00 3.68 N +ATOM 755 CA ARG B 235 -11.771 -38.082 15.448 1.00 3.72 C +ATOM 756 C ARG B 235 -10.731 -38.703 14.517 1.00 3.79 C +ATOM 757 O ARG B 235 -10.596 -38.278 13.367 1.00 3.82 O +ATOM 758 CB ARG B 235 -12.651 -37.105 14.661 1.00 3.68 C +ATOM 759 CG ARG B 235 -13.851 -36.581 15.430 1.00 3.67 C +ATOM 760 CD ARG B 235 -14.533 -35.438 14.691 1.00 3.51 C +ATOM 761 NE ARG B 235 -13.718 -34.224 14.690 1.00 3.39 N +ATOM 762 CZ ARG B 235 -13.606 -33.374 15.710 1.00 3.22 C +ATOM 763 NH1 ARG B 235 -14.254 -33.582 16.852 1.00 3.30 N +ATOM 764 NH2 ARG B 235 -12.829 -32.303 15.588 1.00 3.17 N +ATOM 765 N PRO B 236 -9.993 -39.715 15.006 1.00 3.84 N +ATOM 766 CA PRO B 236 -8.977 -40.371 14.184 1.00 3.92 C +ATOM 767 C PRO B 236 -9.580 -41.216 13.059 1.00 4.02 C +ATOM 768 O PRO B 236 -10.712 -41.695 13.177 1.00 4.08 O +ATOM 769 CB PRO B 236 -8.238 -41.260 15.187 1.00 3.91 C +ATOM 770 CG PRO B 236 -9.239 -41.550 16.236 1.00 3.88 C +ATOM 771 CD PRO B 236 -10.081 -40.316 16.350 1.00 3.84 C +ATOM 772 N ARG B 237 -8.818 -41.391 11.984 1.00 4.08 N +ATOM 773 CA ARG B 237 -9.264 -42.149 10.815 1.00 4.14 C +ATOM 774 C ARG B 237 -8.685 -43.561 10.837 1.00 4.11 C +ATOM 775 O ARG B 237 -9.374 -44.532 10.526 1.00 4.10 O +ATOM 776 CB ARG B 237 -8.839 -41.431 9.531 1.00 4.17 C +ATOM 777 CG ARG B 237 -9.266 -39.967 9.476 1.00 4.45 C +ATOM 778 CD ARG B 237 -8.494 -39.185 8.421 1.00 4.93 C +ATOM 779 NE ARG B 237 -8.574 -37.740 8.651 1.00 5.22 N +ATOM 780 CZ ARG B 237 -9.574 -36.949 8.256 1.00 5.71 C +ATOM 781 NH1 ARG B 237 -10.618 -37.436 7.584 1.00 5.83 N +ATOM 782 NH2 ARG B 237 -9.529 -35.647 8.534 1.00 5.76 N Added: SwiftApps/modFTdock/input/3eq5-3.pdb =================================================================== --- SwiftApps/modFTdock/input/3eq5-3.pdb (rev 0) +++ SwiftApps/modFTdock/input/3eq5-3.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,761 @@ +ATOM 1 N SER C 141 -17.722 8.632 11.488 1.00 4.16 N +ATOM 2 CA SER C 141 -17.612 7.150 11.602 1.00 4.20 C +ATOM 3 C SER C 141 -17.730 6.476 10.232 1.00 4.28 C +ATOM 4 O SER C 141 -17.863 7.150 9.205 1.00 4.44 O +ATOM 5 CB SER C 141 -18.703 6.618 12.530 1.00 4.24 C +ATOM 6 OG SER C 141 -19.963 6.620 11.878 1.00 4.18 O +ATOM 7 N THR C 142 -17.670 5.145 10.235 1.00 4.27 N +ATOM 8 CA THR C 142 -17.816 4.329 9.019 1.00 4.23 C +ATOM 9 C THR C 142 -18.379 2.940 9.335 1.00 4.22 C +ATOM 10 O THR C 142 -19.272 2.457 8.641 1.00 4.28 O +ATOM 11 CB THR C 142 -16.467 4.127 8.281 1.00 4.22 C +ATOM 12 OG1 THR C 142 -15.511 3.540 9.174 1.00 4.33 O +ATOM 13 CG2 THR C 142 -15.920 5.448 7.744 1.00 4.23 C +ATOM 14 N GLU C 143 -17.840 2.300 10.371 1.00 4.20 N +ATOM 15 CA GLU C 143 -18.258 0.954 10.762 1.00 4.20 C +ATOM 16 C GLU C 143 -19.653 0.960 11.396 1.00 4.14 C +ATOM 17 O GLU C 143 -19.942 1.771 12.280 1.00 4.25 O +ATOM 18 CB GLU C 143 -17.240 0.338 11.728 1.00 4.25 C +ATOM 19 CG GLU C 143 -17.431 -1.159 11.967 1.00 4.49 C +ATOM 20 CD GLU C 143 -16.411 -1.741 12.932 1.00 4.87 C +ATOM 21 OE1 GLU C 143 -15.240 -1.295 12.919 1.00 5.18 O +ATOM 22 OE2 GLU C 143 -16.781 -2.656 13.700 1.00 5.01 O +ATOM 23 N LEU C 144 -20.503 0.044 10.935 1.00 4.02 N +ATOM 24 CA LEU C 144 -21.889 -0.062 11.394 1.00 3.89 C +ATOM 25 C LEU C 144 -22.011 -1.182 12.418 1.00 3.77 C +ATOM 26 O LEU C 144 -21.667 -2.327 12.136 1.00 3.89 O +ATOM 27 CB LEU C 144 -22.819 -0.348 10.208 1.00 3.84 C +ATOM 28 CG LEU C 144 -24.331 -0.372 10.482 1.00 4.08 C +ATOM 29 CD1 LEU C 144 -24.910 1.041 10.515 1.00 3.92 C +ATOM 30 CD2 LEU C 144 -25.057 -1.219 9.447 1.00 4.00 C +ATOM 31 N THR C 145 -22.510 -0.846 13.599 1.00 3.69 N +ATOM 32 CA THR C 145 -22.710 -1.820 14.667 1.00 3.69 C +ATOM 33 C THR C 145 -24.207 -1.969 14.957 1.00 3.70 C +ATOM 34 O THR C 145 -25.036 -1.363 14.279 1.00 3.70 O +ATOM 35 CB THR C 145 -21.935 -1.410 15.944 1.00 3.69 C +ATOM 36 OG1 THR C 145 -22.116 -2.402 16.963 1.00 3.66 O +ATOM 37 CG2 THR C 145 -22.400 -0.051 16.462 1.00 3.48 C +ATOM 38 N GLN C 146 -24.551 -2.791 15.944 1.00 3.76 N +ATOM 39 CA GLN C 146 -25.946 -2.945 16.367 1.00 3.87 C +ATOM 40 C GLN C 146 -26.086 -2.917 17.890 1.00 3.85 C +ATOM 41 O GLN C 146 -25.223 -3.414 18.613 1.00 3.87 O +ATOM 42 CB GLN C 146 -26.546 -4.240 15.808 1.00 3.88 C +ATOM 43 CG GLN C 146 -26.624 -4.272 14.282 1.00 4.32 C +ATOM 44 CD GLN C 146 -27.298 -5.525 13.735 1.00 4.66 C +ATOM 45 OE1 GLN C 146 -28.047 -6.204 14.440 1.00 4.93 O +ATOM 46 NE2 GLN C 146 -27.035 -5.832 12.464 1.00 4.59 N +ATOM 47 N THR C 147 -27.181 -2.327 18.361 1.00 3.89 N +ATOM 48 CA THR C 147 -27.496 -2.268 19.787 1.00 3.87 C +ATOM 49 C THR C 147 -28.983 -2.559 20.005 1.00 3.88 C +ATOM 50 O THR C 147 -29.808 -2.298 19.127 1.00 3.99 O +ATOM 51 CB THR C 147 -27.134 -0.892 20.379 1.00 3.90 C +ATOM 52 OG1 THR C 147 -27.144 -0.961 21.812 1.00 3.85 O +ATOM 53 CG2 THR C 147 -28.108 0.182 19.902 1.00 3.84 C +ATOM 54 N VAL C 148 -29.316 -3.106 21.172 1.00 3.82 N +ATOM 55 CA VAL C 148 -30.696 -3.489 21.483 1.00 3.78 C +ATOM 56 C VAL C 148 -31.506 -2.305 22.011 1.00 3.72 C +ATOM 57 O VAL C 148 -30.977 -1.440 22.714 1.00 3.73 O +ATOM 58 CB VAL C 148 -30.750 -4.637 22.510 1.00 3.81 C +ATOM 59 CG1 VAL C 148 -32.193 -5.052 22.780 1.00 3.83 C +ATOM 60 CG2 VAL C 148 -29.940 -5.829 22.012 1.00 3.87 C +ATOM 61 N LEU C 149 -32.788 -2.280 21.651 1.00 3.61 N +ATOM 62 CA LEU C 149 -33.732 -1.255 22.103 1.00 3.56 C +ATOM 63 C LEU C 149 -35.145 -1.843 22.084 1.00 3.58 C +ATOM 64 O LEU C 149 -35.615 -2.293 21.039 1.00 3.56 O +ATOM 65 CB LEU C 149 -33.670 -0.023 21.196 1.00 3.48 C +ATOM 66 CG LEU C 149 -34.516 1.170 21.647 1.00 3.52 C +ATOM 67 CD1 LEU C 149 -33.796 1.923 22.750 1.00 3.78 C +ATOM 68 CD2 LEU C 149 -34.849 2.097 20.488 1.00 3.12 C +ATOM 69 N GLU C 150 -35.809 -1.845 23.239 1.00 3.55 N +ATOM 70 CA GLU C 150 -37.136 -2.459 23.389 1.00 3.58 C +ATOM 71 C GLU C 150 -37.198 -3.872 22.793 1.00 3.57 C +ATOM 72 O GLU C 150 -38.182 -4.246 22.152 1.00 3.51 O +ATOM 73 CB GLU C 150 -38.217 -1.566 22.761 1.00 3.62 C +ATOM 74 CG GLU C 150 -38.280 -0.156 23.337 1.00 3.54 C +ATOM 75 CD GLU C 150 -38.588 -0.136 24.822 1.00 3.45 C +ATOM 76 OE1 GLU C 150 -39.393 -0.977 25.279 1.00 3.93 O +ATOM 77 OE2 GLU C 150 -38.028 0.726 25.532 1.00 3.16 O +ATOM 78 N GLY C 151 -36.133 -4.644 23.004 1.00 3.63 N +ATOM 79 CA GLY C 151 -36.048 -6.020 22.511 1.00 3.61 C +ATOM 80 C GLY C 151 -35.794 -6.174 21.020 1.00 3.63 C +ATOM 81 O GLY C 151 -35.836 -7.287 20.498 1.00 3.60 O +ATOM 82 N GLU C 152 -35.527 -5.065 20.333 1.00 3.74 N +ATOM 83 CA GLU C 152 -35.283 -5.073 18.888 1.00 3.82 C +ATOM 84 C GLU C 152 -33.876 -4.563 18.614 1.00 3.84 C +ATOM 85 O GLU C 152 -33.421 -3.613 19.254 1.00 3.88 O +ATOM 86 CB GLU C 152 -36.316 -4.207 18.158 1.00 3.82 C +ATOM 87 CG GLU C 152 -37.754 -4.673 18.369 1.00 4.07 C +ATOM 88 CD GLU C 152 -38.776 -3.914 17.530 1.00 4.37 C +ATOM 89 OE1 GLU C 152 -38.444 -2.837 16.987 1.00 4.53 O +ATOM 90 OE2 GLU C 152 -39.922 -4.405 17.416 1.00 4.22 O +ATOM 91 N SER C 153 -33.196 -5.199 17.662 1.00 3.93 N +ATOM 92 CA SER C 153 -31.790 -4.908 17.380 1.00 3.97 C +ATOM 93 C SER C 153 -31.653 -3.816 16.327 1.00 3.98 C +ATOM 94 O SER C 153 -31.810 -4.078 15.135 1.00 4.19 O +ATOM 95 CB SER C 153 -31.073 -6.174 16.910 1.00 3.97 C +ATOM 96 OG SER C 153 -29.733 -5.888 16.543 1.00 4.34 O +ATOM 97 N ILE C 154 -31.340 -2.599 16.769 1.00 3.91 N +ATOM 98 CA ILE C 154 -31.254 -1.445 15.870 1.00 3.78 C +ATOM 99 C ILE C 154 -29.822 -1.216 15.382 1.00 3.73 C +ATOM 100 O ILE C 154 -28.872 -1.330 16.152 1.00 3.72 O +ATOM 101 CB ILE C 154 -31.754 -0.149 16.550 1.00 3.69 C +ATOM 102 CG1 ILE C 154 -33.111 -0.365 17.234 1.00 3.80 C +ATOM 103 CG2 ILE C 154 -31.859 0.969 15.534 1.00 3.48 C +ATOM 104 CD1 ILE C 154 -34.189 -0.958 16.338 1.00 3.60 C +ATOM 105 N SER C 155 -29.686 -0.888 14.098 1.00 3.65 N +ATOM 106 CA SER C 155 -28.396 -0.536 13.511 1.00 3.62 C +ATOM 107 C SER C 155 -27.964 0.854 13.971 1.00 3.66 C +ATOM 108 O SER C 155 -28.789 1.766 14.060 1.00 3.72 O +ATOM 109 CB SER C 155 -28.474 -0.566 11.983 1.00 3.60 C +ATOM 110 OG SER C 155 -28.727 -1.875 11.508 1.00 3.58 O +ATOM 111 N CYS C 156 -26.672 1.014 14.253 1.00 3.57 N +ATOM 112 CA CYS C 156 -26.155 2.280 14.765 1.00 3.58 C +ATOM 113 C CYS C 156 -24.674 2.501 14.468 1.00 3.66 C +ATOM 114 O CYS C 156 -23.915 1.553 14.248 1.00 3.60 O +ATOM 115 CB CYS C 156 -26.378 2.360 16.274 1.00 3.59 C +ATOM 116 SG CYS C 156 -25.538 1.069 17.219 1.00 3.73 S +ATOM 117 N PHE C 157 -24.280 3.771 14.477 1.00 3.67 N +ATOM 118 CA PHE C 157 -22.888 4.165 14.302 1.00 3.66 C +ATOM 119 C PHE C 157 -22.292 4.570 15.638 1.00 3.63 C +ATOM 120 O PHE C 157 -22.905 5.322 16.390 1.00 3.51 O +ATOM 121 CB PHE C 157 -22.785 5.326 13.316 1.00 3.67 C +ATOM 122 CG PHE C 157 -23.236 4.978 11.930 1.00 3.62 C +ATOM 123 CD1 PHE C 157 -24.520 5.288 11.504 1.00 3.77 C +ATOM 124 CD2 PHE C 157 -22.384 4.321 11.058 1.00 3.55 C +ATOM 125 CE1 PHE C 157 -24.939 4.959 10.230 1.00 3.98 C +ATOM 126 CE2 PHE C 157 -22.795 3.989 9.781 1.00 3.77 C +ATOM 127 CZ PHE C 157 -24.072 4.308 9.364 1.00 3.79 C +ATOM 128 N GLN C 158 -21.097 4.061 15.926 1.00 3.73 N +ATOM 129 CA GLN C 158 -20.381 4.421 17.144 1.00 3.75 C +ATOM 130 C GLN C 158 -19.577 5.687 16.872 1.00 3.72 C +ATOM 131 O GLN C 158 -18.516 5.634 16.250 1.00 3.72 O +ATOM 132 CB GLN C 158 -19.473 3.272 17.594 1.00 3.76 C +ATOM 133 CG GLN C 158 -18.704 3.525 18.896 1.00 4.00 C +ATOM 134 CD GLN C 158 -19.599 3.649 20.115 1.00 4.36 C +ATOM 135 OE1 GLN C 158 -19.474 4.593 20.897 1.00 5.10 O +ATOM 136 NE2 GLN C 158 -20.491 2.683 20.297 1.00 3.96 N +ATOM 137 N VAL C 159 -20.101 6.824 17.326 1.00 3.73 N +ATOM 138 CA VAL C 159 -19.448 8.116 17.121 1.00 3.72 C +ATOM 139 C VAL C 159 -18.825 8.620 18.426 1.00 3.83 C +ATOM 140 O VAL C 159 -19.441 9.378 19.183 1.00 3.75 O +ATOM 141 CB VAL C 159 -20.423 9.170 16.544 1.00 3.80 C +ATOM 142 CG1 VAL C 159 -19.662 10.427 16.140 1.00 3.59 C +ATOM 143 CG2 VAL C 159 -21.185 8.599 15.349 1.00 3.55 C +ATOM 144 N GLY C 160 -17.600 8.161 18.680 1.00 3.92 N +ATOM 145 CA GLY C 160 -16.774 8.651 19.777 1.00 3.96 C +ATOM 146 C GLY C 160 -17.351 8.518 21.175 1.00 4.07 C +ATOM 147 O GLY C 160 -17.188 9.422 22.000 1.00 4.31 O +ATOM 148 N GLY C 161 -18.010 7.397 21.455 1.00 4.03 N +ATOM 149 CA GLY C 161 -18.548 7.141 22.798 1.00 4.04 C +ATOM 150 C GLY C 161 -20.058 7.217 22.878 1.00 4.07 C +ATOM 151 O GLY C 161 -20.654 6.740 23.843 1.00 4.05 O +ATOM 152 N GLU C 162 -20.667 7.835 21.868 1.00 4.15 N +ATOM 153 CA GLU C 162 -22.120 7.846 21.693 1.00 4.21 C +ATOM 154 C GLU C 162 -22.515 6.903 20.561 1.00 4.10 C +ATOM 155 O GLU C 162 -21.844 6.853 19.525 1.00 4.21 O +ATOM 156 CB GLU C 162 -22.629 9.260 21.369 1.00 4.34 C +ATOM 157 CG GLU C 162 -23.276 9.991 22.544 1.00 4.84 C +ATOM 158 CD GLU C 162 -23.822 11.367 22.166 1.00 5.51 C +ATOM 159 OE1 GLU C 162 -24.040 11.623 20.958 1.00 5.71 O +ATOM 160 OE2 GLU C 162 -24.042 12.192 23.085 1.00 5.90 O +ATOM 161 N LYS C 163 -23.599 6.159 20.769 1.00 3.85 N +ATOM 162 CA LYS C 163 -24.181 5.319 19.730 1.00 3.78 C +ATOM 163 C LYS C 163 -25.335 6.072 19.090 1.00 3.75 C +ATOM 164 O LYS C 163 -26.237 6.536 19.791 1.00 3.71 O +ATOM 165 CB LYS C 163 -24.688 4.001 20.318 1.00 3.83 C +ATOM 166 CG LYS C 163 -23.582 3.041 20.700 1.00 4.04 C +ATOM 167 CD LYS C 163 -24.120 1.734 21.250 1.00 4.23 C +ATOM 168 CE LYS C 163 -22.984 0.822 21.689 1.00 4.33 C +ATOM 169 NZ LYS C 163 -23.455 -0.562 21.961 1.00 4.70 N +ATOM 170 N ARG C 164 -25.307 6.191 17.766 1.00 3.68 N +ATOM 171 CA ARG C 164 -26.334 6.935 17.041 1.00 3.71 C +ATOM 172 C ARG C 164 -27.168 6.004 16.163 1.00 3.67 C +ATOM 173 O ARG C 164 -26.695 5.490 15.152 1.00 3.59 O +ATOM 174 CB ARG C 164 -25.694 8.068 16.239 1.00 3.75 C +ATOM 175 CG ARG C 164 -25.119 9.140 17.154 1.00 3.96 C +ATOM 176 CD ARG C 164 -24.407 10.248 16.416 1.00 4.22 C +ATOM 177 NE ARG C 164 -23.805 11.191 17.360 1.00 4.57 N +ATOM 178 CZ ARG C 164 -22.902 12.121 17.046 1.00 4.69 C +ATOM 179 NH1 ARG C 164 -22.423 12.919 17.996 1.00 4.57 N +ATOM 180 NH2 ARG C 164 -22.472 12.262 15.795 1.00 4.63 N +ATOM 181 N LEU C 165 -28.418 5.805 16.572 1.00 3.71 N +ATOM 182 CA LEU C 165 -29.289 4.780 15.997 1.00 3.73 C +ATOM 183 C LEU C 165 -29.991 5.224 14.714 1.00 3.81 C +ATOM 184 O LEU C 165 -30.346 6.390 14.556 1.00 3.78 O +ATOM 185 CB LEU C 165 -30.347 4.350 17.021 1.00 3.71 C +ATOM 186 CG LEU C 165 -29.899 3.392 18.126 1.00 3.61 C +ATOM 187 CD1 LEU C 165 -28.674 3.914 18.865 1.00 3.39 C +ATOM 188 CD2 LEU C 165 -31.053 3.150 19.082 1.00 3.19 C +ATOM 189 N CYS C 166 -30.199 4.263 13.816 1.00 3.89 N +ATOM 190 CA CYS C 166 -30.926 4.476 12.568 1.00 3.88 C +ATOM 191 C CYS C 166 -32.376 4.821 12.876 1.00 3.80 C +ATOM 192 O CYS C 166 -33.134 3.977 13.351 1.00 3.88 O +ATOM 193 CB CYS C 166 -30.859 3.212 11.710 1.00 3.89 C +ATOM 194 SG CYS C 166 -31.836 3.268 10.201 1.00 4.70 S +ATOM 195 N LEU C 167 -32.752 6.065 12.594 1.00 3.74 N +ATOM 196 CA LEU C 167 -34.024 6.621 13.062 1.00 3.64 C +ATOM 197 C LEU C 167 -35.266 5.912 12.501 1.00 3.67 C +ATOM 198 O LEU C 167 -36.187 5.628 13.256 1.00 3.62 O +ATOM 199 CB LEU C 167 -34.081 8.136 12.795 1.00 3.52 C +ATOM 200 CG LEU C 167 -35.265 8.925 13.367 1.00 3.18 C +ATOM 201 CD1 LEU C 167 -35.365 8.749 14.869 1.00 2.77 C +ATOM 202 CD2 LEU C 167 -35.140 10.397 13.017 1.00 2.62 C +ATOM 203 N PRO C 168 -35.294 5.610 11.186 1.00 3.78 N +ATOM 204 CA PRO C 168 -36.460 4.911 10.627 1.00 3.78 C +ATOM 205 C PRO C 168 -36.802 3.579 11.307 1.00 3.78 C +ATOM 206 O PRO C 168 -37.979 3.239 11.419 1.00 3.93 O +ATOM 207 CB PRO C 168 -36.066 4.691 9.163 1.00 3.74 C +ATOM 208 CG PRO C 168 -35.154 5.812 8.857 1.00 3.76 C +ATOM 209 CD PRO C 168 -34.353 6.011 10.121 1.00 3.86 C +ATOM 210 N GLN C 169 -35.793 2.841 11.756 1.00 3.75 N +ATOM 211 CA GLN C 169 -36.024 1.612 12.518 1.00 3.77 C +ATOM 212 C GLN C 169 -36.714 1.901 13.854 1.00 3.84 C +ATOM 213 O GLN C 169 -37.608 1.165 14.271 1.00 3.91 O +ATOM 214 CB GLN C 169 -34.709 0.887 12.782 1.00 3.86 C +ATOM 215 CG GLN C 169 -34.019 0.358 11.541 1.00 3.83 C +ATOM 216 CD GLN C 169 -32.910 -0.614 11.884 1.00 3.95 C +ATOM 217 OE1 GLN C 169 -31.865 -0.224 12.406 1.00 4.24 O +ATOM 218 NE2 GLN C 169 -33.135 -1.890 11.597 1.00 4.02 N +ATOM 219 N VAL C 170 -36.297 2.971 14.525 1.00 3.84 N +ATOM 220 CA VAL C 170 -36.898 3.353 15.803 1.00 3.78 C +ATOM 221 C VAL C 170 -38.342 3.807 15.604 1.00 3.87 C +ATOM 222 O VAL C 170 -39.234 3.404 16.355 1.00 4.01 O +ATOM 223 CB VAL C 170 -36.103 4.478 16.500 1.00 3.74 C +ATOM 224 CG1 VAL C 170 -36.769 4.875 17.805 1.00 3.60 C +ATOM 225 CG2 VAL C 170 -34.669 4.041 16.755 1.00 3.88 C +ATOM 226 N LEU C 171 -38.568 4.640 14.591 1.00 3.85 N +ATOM 227 CA LEU C 171 -39.899 5.200 14.337 1.00 3.94 C +ATOM 228 C LEU C 171 -40.874 4.169 13.769 1.00 3.97 C +ATOM 229 O LEU C 171 -42.012 4.081 14.227 1.00 4.02 O +ATOM 230 CB LEU C 171 -39.813 6.401 13.383 1.00 3.92 C +ATOM 231 CG LEU C 171 -39.013 7.618 13.861 1.00 3.69 C +ATOM 232 CD1 LEU C 171 -39.016 8.691 12.791 1.00 3.00 C +ATOM 233 CD2 LEU C 171 -39.556 8.167 15.176 1.00 3.43 C +ATOM 234 N ASN C 172 -40.424 3.394 12.783 1.00 3.96 N +ATOM 235 CA ASN C 172 -41.310 2.489 12.042 1.00 3.98 C +ATOM 236 C ASN C 172 -41.378 1.052 12.569 1.00 3.91 C +ATOM 237 O ASN C 172 -42.171 0.253 12.065 1.00 3.91 O +ATOM 238 CB ASN C 172 -40.939 2.483 10.554 1.00 4.03 C +ATOM 239 CG ASN C 172 -41.053 3.861 9.915 1.00 4.43 C +ATOM 240 OD1 ASN C 172 -41.879 4.692 10.318 1.00 5.04 O +ATOM 241 ND2 ASN C 172 -40.228 4.107 8.907 1.00 4.72 N +ATOM 242 N SER C 173 -40.572 0.721 13.577 1.00 3.85 N +ATOM 243 CA SER C 173 -40.651 -0.599 14.217 1.00 3.82 C +ATOM 244 C SER C 173 -40.923 -0.488 15.713 1.00 3.77 C +ATOM 245 O SER C 173 -41.952 -0.969 16.194 1.00 3.81 O +ATOM 246 CB SER C 173 -39.373 -1.403 13.976 1.00 3.85 C +ATOM 247 OG SER C 173 -39.505 -2.725 14.471 1.00 4.05 O +ATOM 248 N VAL C 174 -40.008 0.149 16.441 1.00 3.68 N +ATOM 249 CA VAL C 174 -40.116 0.247 17.902 1.00 3.60 C +ATOM 250 C VAL C 174 -41.309 1.118 18.313 1.00 3.61 C +ATOM 251 O VAL C 174 -42.152 0.685 19.100 1.00 3.56 O +ATOM 252 CB VAL C 174 -38.823 0.809 18.555 1.00 3.63 C +ATOM 253 CG1 VAL C 174 -38.969 0.867 20.074 1.00 3.31 C +ATOM 254 CG2 VAL C 174 -37.607 -0.027 18.165 1.00 3.35 C +ATOM 255 N LEU C 175 -41.377 2.330 17.766 1.00 3.53 N +ATOM 256 CA LEU C 175 -42.444 3.283 18.090 1.00 3.49 C +ATOM 257 C LEU C 175 -43.544 3.330 17.015 1.00 3.58 C +ATOM 258 O LEU C 175 -44.157 4.377 16.786 1.00 3.49 O +ATOM 259 CB LEU C 175 -41.850 4.681 18.297 1.00 3.39 C +ATOM 260 CG LEU C 175 -40.766 4.801 19.374 1.00 3.34 C +ATOM 261 CD1 LEU C 175 -40.158 6.198 19.382 1.00 3.06 C +ATOM 262 CD2 LEU C 175 -41.322 4.445 20.744 1.00 2.76 C +ATOM 263 N ARG C 176 -43.799 2.191 16.372 1.00 3.69 N +ATOM 264 CA ARG C 176 -44.800 2.109 15.305 1.00 3.69 C +ATOM 265 C ARG C 176 -46.219 2.315 15.820 1.00 3.62 C +ATOM 266 O ARG C 176 -47.056 2.852 15.104 1.00 3.56 O +ATOM 267 CB ARG C 176 -44.707 0.766 14.564 1.00 3.78 C +ATOM 268 CG ARG C 176 -45.727 0.573 13.418 1.00 3.68 C +ATOM 269 CD ARG C 176 -45.565 1.605 12.298 1.00 3.49 C +ATOM 270 NE ARG C 176 -46.621 1.497 11.290 1.00 3.42 N +ATOM 271 CZ ARG C 176 -47.863 1.975 11.421 1.00 2.95 C +ATOM 272 NH1 ARG C 176 -48.243 2.610 12.525 1.00 2.78 N +ATOM 273 NH2 ARG C 176 -48.739 1.813 10.435 1.00 2.35 N +ATOM 274 N GLU C 177 -46.483 1.898 17.057 1.00 3.65 N +ATOM 275 CA GLU C 177 -47.820 2.042 17.650 1.00 3.72 C +ATOM 276 C GLU C 177 -48.160 3.482 18.066 1.00 3.69 C +ATOM 277 O GLU C 177 -49.278 3.746 18.514 1.00 3.64 O +ATOM 278 CB GLU C 177 -48.006 1.082 18.840 1.00 3.77 C +ATOM 279 CG GLU C 177 -47.166 1.394 20.085 1.00 4.12 C +ATOM 280 CD GLU C 177 -47.370 0.378 21.205 1.00 4.37 C +ATOM 281 OE1 GLU C 177 -48.503 0.280 21.731 1.00 4.98 O +ATOM 282 OE2 GLU C 177 -46.396 -0.317 21.566 1.00 4.32 O +ATOM 283 N PHE C 178 -47.201 4.398 17.923 1.00 3.65 N +ATOM 284 CA PHE C 178 -47.425 5.819 18.193 1.00 3.65 C +ATOM 285 C PHE C 178 -47.390 6.627 16.900 1.00 3.69 C +ATOM 286 O PHE C 178 -46.570 6.366 16.018 1.00 3.71 O +ATOM 287 CB PHE C 178 -46.369 6.353 19.163 1.00 3.64 C +ATOM 288 CG PHE C 178 -46.272 5.570 20.441 1.00 3.54 C +ATOM 289 CD1 PHE C 178 -47.193 5.762 21.457 1.00 3.21 C +ATOM 290 CD2 PHE C 178 -45.261 4.632 20.622 1.00 3.49 C +ATOM 291 CE1 PHE C 178 -47.108 5.037 22.634 1.00 3.38 C +ATOM 292 CE2 PHE C 178 -45.169 3.905 21.799 1.00 3.34 C +ATOM 293 CZ PHE C 178 -46.093 4.106 22.804 1.00 3.33 C +ATOM 294 N THR C 179 -48.283 7.609 16.794 1.00 3.72 N +ATOM 295 CA THR C 179 -48.331 8.492 15.630 1.00 3.70 C +ATOM 296 C THR C 179 -47.083 9.364 15.575 1.00 3.80 C +ATOM 297 O THR C 179 -46.473 9.653 16.607 1.00 3.78 O +ATOM 298 CB THR C 179 -49.558 9.429 15.668 1.00 3.75 C +ATOM 299 OG1 THR C 179 -49.499 10.255 16.838 1.00 3.48 O +ATOM 300 CG2 THR C 179 -50.862 8.631 15.672 1.00 3.66 C +ATOM 301 N LEU C 180 -46.709 9.781 14.370 1.00 3.93 N +ATOM 302 CA LEU C 180 -45.558 10.667 14.183 1.00 4.01 C +ATOM 303 C LEU C 180 -45.751 12.002 14.912 1.00 4.12 C +ATOM 304 O LEU C 180 -44.786 12.599 15.387 1.00 4.24 O +ATOM 305 CB LEU C 180 -45.288 10.904 12.693 1.00 3.96 C +ATOM 306 CG LEU C 180 -44.646 9.743 11.925 1.00 4.03 C +ATOM 307 CD1 LEU C 180 -44.515 10.088 10.449 1.00 3.81 C +ATOM 308 CD2 LEU C 180 -43.282 9.379 12.503 1.00 3.99 C +ATOM 309 N GLN C 181 -46.997 12.459 14.999 1.00 4.27 N +ATOM 310 CA GLN C 181 -47.331 13.663 15.766 1.00 4.46 C +ATOM 311 C GLN C 181 -47.009 13.460 17.245 1.00 4.49 C +ATOM 312 O GLN C 181 -46.383 14.310 17.877 1.00 4.69 O +ATOM 313 CB GLN C 181 -48.812 14.023 15.590 1.00 4.43 C +ATOM 314 CG GLN C 181 -49.264 15.265 16.363 1.00 5.02 C +ATOM 315 CD GLN C 181 -50.027 14.938 17.650 1.00 5.79 C +ATOM 316 OE1 GLN C 181 -51.047 14.244 17.622 1.00 6.15 O +ATOM 317 NE2 GLN C 181 -49.544 15.456 18.777 1.00 6.06 N +ATOM 318 N GLN C 182 -47.438 12.325 17.783 1.00 4.50 N +ATOM 319 CA GLN C 182 -47.223 12.010 19.192 1.00 4.51 C +ATOM 320 C GLN C 182 -45.737 11.832 19.514 1.00 4.35 C +ATOM 321 O GLN C 182 -45.299 12.147 20.617 1.00 4.57 O +ATOM 322 CB GLN C 182 -48.019 10.760 19.580 1.00 4.60 C +ATOM 323 CG GLN C 182 -48.022 10.452 21.073 1.00 5.03 C +ATOM 324 CD GLN C 182 -49.154 9.516 21.486 1.00 5.49 C +ATOM 325 OE1 GLN C 182 -49.875 8.973 20.642 1.00 5.48 O +ATOM 326 NE2 GLN C 182 -49.314 9.328 22.797 1.00 5.41 N +ATOM 327 N ILE C 183 -44.967 11.342 18.547 1.00 4.14 N +ATOM 328 CA ILE C 183 -43.531 11.143 18.726 1.00 3.89 C +ATOM 329 C ILE C 183 -42.782 12.478 18.744 1.00 3.87 C +ATOM 330 O ILE C 183 -41.982 12.733 19.648 1.00 3.83 O +ATOM 331 CB ILE C 183 -42.950 10.238 17.616 1.00 3.95 C +ATOM 332 CG1 ILE C 183 -43.548 8.828 17.713 1.00 3.78 C +ATOM 333 CG2 ILE C 183 -41.423 10.174 17.715 1.00 3.54 C +ATOM 334 CD1 ILE C 183 -43.405 8.011 16.452 1.00 3.36 C +ATOM 335 N ASN C 184 -43.036 13.320 17.745 1.00 3.81 N +ATOM 336 CA ASN C 184 -42.412 14.648 17.674 1.00 3.79 C +ATOM 337 C ASN C 184 -42.811 15.536 18.849 1.00 3.71 C +ATOM 338 O ASN C 184 -42.010 16.349 19.314 1.00 3.50 O +ATOM 339 CB ASN C 184 -42.763 15.360 16.360 1.00 3.85 C +ATOM 340 CG ASN C 184 -41.987 14.824 15.165 1.00 4.20 C +ATOM 341 OD1 ASN C 184 -40.905 14.239 15.303 1.00 5.24 O +ATOM 342 ND2 ASN C 184 -42.534 15.039 13.976 1.00 4.55 N +ATOM 343 N THR C 185 -44.053 15.385 19.314 1.00 3.67 N +ATOM 344 CA THR C 185 -44.529 16.090 20.504 1.00 3.64 C +ATOM 345 C THR C 185 -43.596 15.808 21.678 1.00 3.67 C +ATOM 346 O THR C 185 -43.050 16.730 22.275 1.00 3.75 O +ATOM 347 CB THR C 185 -45.964 15.664 20.885 1.00 3.69 C +ATOM 348 OG1 THR C 185 -46.874 16.041 19.842 1.00 3.68 O +ATOM 349 CG2 THR C 185 -46.397 16.319 22.191 1.00 3.56 C +ATOM 350 N VAL C 186 -43.401 14.527 21.977 1.00 3.64 N +ATOM 351 CA VAL C 186 -42.501 14.097 23.052 1.00 3.63 C +ATOM 352 C VAL C 186 -41.062 14.584 22.839 1.00 3.56 C +ATOM 353 O VAL C 186 -40.413 15.032 23.782 1.00 3.46 O +ATOM 354 CB VAL C 186 -42.500 12.558 23.199 1.00 3.61 C +ATOM 355 CG1 VAL C 186 -41.528 12.118 24.278 1.00 3.44 C +ATOM 356 CG2 VAL C 186 -43.902 12.059 23.517 1.00 3.64 C +ATOM 357 N CYS C 187 -40.576 14.502 21.604 1.00 3.65 N +ATOM 358 CA CYS C 187 -39.216 14.958 21.276 1.00 3.73 C +ATOM 359 C CYS C 187 -39.036 16.445 21.577 1.00 3.79 C +ATOM 360 O CYS C 187 -37.977 16.865 22.051 1.00 3.77 O +ATOM 361 CB CYS C 187 -38.881 14.691 19.803 1.00 3.77 C +ATOM 362 SG CYS C 187 -38.454 12.975 19.413 1.00 3.85 S +ATOM 363 N ASP C 188 -40.076 17.231 21.297 1.00 3.83 N +ATOM 364 CA ASP C 188 -40.060 18.674 21.549 1.00 3.84 C +ATOM 365 C ASP C 188 -40.108 19.000 23.040 1.00 3.81 C +ATOM 366 O ASP C 188 -39.558 20.011 23.471 1.00 3.80 O +ATOM 367 CB ASP C 188 -41.230 19.364 20.834 1.00 3.85 C +ATOM 368 CG ASP C 188 -41.095 19.341 19.316 1.00 4.02 C +ATOM 369 OD1 ASP C 188 -42.106 19.608 18.628 1.00 4.61 O +ATOM 370 OD2 ASP C 188 -39.991 19.058 18.804 1.00 4.06 O +ATOM 371 N GLU C 189 -40.767 18.147 23.819 1.00 3.86 N +ATOM 372 CA GLU C 189 -40.892 18.357 25.265 1.00 3.98 C +ATOM 373 C GLU C 189 -39.649 17.873 26.014 1.00 3.90 C +ATOM 374 O GLU C 189 -39.263 18.465 27.022 1.00 3.88 O +ATOM 375 CB GLU C 189 -42.151 17.670 25.811 1.00 4.08 C +ATOM 376 CG GLU C 189 -43.425 18.025 25.036 1.00 4.55 C +ATOM 377 CD GLU C 189 -44.710 17.664 25.766 1.00 5.27 C +ATOM 378 OE1 GLU C 189 -44.661 16.827 26.695 1.00 6.07 O +ATOM 379 OE2 GLU C 189 -45.774 18.216 25.400 1.00 5.28 O +ATOM 380 N LEU C 190 -39.031 16.803 25.514 1.00 3.88 N +ATOM 381 CA LEU C 190 -37.794 16.259 26.089 1.00 3.88 C +ATOM 382 C LEU C 190 -36.530 16.888 25.493 1.00 3.90 C +ATOM 383 O LEU C 190 -35.422 16.581 25.934 1.00 3.95 O +ATOM 384 CB LEU C 190 -37.739 14.740 25.891 1.00 3.85 C +ATOM 385 CG LEU C 190 -38.864 13.920 26.529 1.00 3.96 C +ATOM 386 CD1 LEU C 190 -38.690 12.437 26.211 1.00 3.57 C +ATOM 387 CD2 LEU C 190 -38.938 14.152 28.040 1.00 3.81 C +ATOM 388 N TYR C 191 -36.700 17.756 24.495 1.00 3.91 N +ATOM 389 CA TYR C 191 -35.581 18.407 23.801 1.00 3.91 C +ATOM 390 C TYR C 191 -34.648 17.403 23.106 1.00 3.93 C +ATOM 391 O TYR C 191 -33.423 17.553 23.144 1.00 3.94 O +ATOM 392 CB TYR C 191 -34.793 19.315 24.757 1.00 3.89 C +ATOM 393 CG TYR C 191 -35.662 20.284 25.532 1.00 4.03 C +ATOM 394 CD1 TYR C 191 -36.143 19.959 26.801 1.00 4.18 C +ATOM 395 CD2 TYR C 191 -36.009 21.524 24.997 1.00 3.92 C +ATOM 396 CE1 TYR C 191 -36.945 20.844 27.520 1.00 4.10 C +ATOM 397 CE2 TYR C 191 -36.810 22.418 25.707 1.00 4.05 C +ATOM 398 CZ TYR C 191 -37.275 22.071 26.968 1.00 4.10 C +ATOM 399 OH TYR C 191 -38.069 22.946 27.674 1.00 3.98 O +ATOM 400 N ILE C 192 -35.235 16.387 22.469 1.00 3.96 N +ATOM 401 CA ILE C 192 -34.469 15.438 21.658 1.00 3.93 C +ATOM 402 C ILE C 192 -34.242 16.051 20.284 1.00 3.97 C +ATOM 403 O ILE C 192 -35.202 16.330 19.562 1.00 3.91 O +ATOM 404 CB ILE C 192 -35.190 14.084 21.450 1.00 3.95 C +ATOM 405 CG1 ILE C 192 -35.626 13.462 22.780 1.00 4.03 C +ATOM 406 CG2 ILE C 192 -34.281 13.124 20.694 1.00 3.77 C +ATOM 407 CD1 ILE C 192 -34.508 13.267 23.763 1.00 4.50 C +ATOM 408 N TYR C 193 -32.973 16.261 19.941 1.00 4.02 N +ATOM 409 CA TYR C 193 -32.577 16.802 18.646 1.00 4.07 C +ATOM 410 C TYR C 193 -31.922 15.707 17.809 1.00 4.08 C +ATOM 411 O TYR C 193 -30.906 15.132 18.214 1.00 4.15 O +ATOM 412 CB TYR C 193 -31.598 17.960 18.837 1.00 4.16 C +ATOM 413 CG TYR C 193 -32.222 19.207 19.427 1.00 4.39 C +ATOM 414 CD1 TYR C 193 -32.956 20.084 18.629 1.00 4.57 C +ATOM 415 CD2 TYR C 193 -32.073 19.515 20.777 1.00 4.47 C +ATOM 416 CE1 TYR C 193 -33.529 21.232 19.160 1.00 4.64 C +ATOM 417 CE2 TYR C 193 -32.643 20.664 21.320 1.00 4.61 C +ATOM 418 CZ TYR C 193 -33.371 21.519 20.505 1.00 4.74 C +ATOM 419 OH TYR C 193 -33.941 22.661 21.032 1.00 5.03 O +ATOM 420 N CYS C 194 -32.505 15.423 16.647 1.00 4.03 N +ATOM 421 CA CYS C 194 -32.025 14.351 15.776 1.00 4.03 C +ATOM 422 C CYS C 194 -31.069 14.881 14.714 1.00 3.91 C +ATOM 423 O CYS C 194 -31.329 15.912 14.095 1.00 3.82 O +ATOM 424 CB CYS C 194 -33.202 13.646 15.101 1.00 4.13 C +ATOM 425 SG CYS C 194 -34.199 12.639 16.221 1.00 4.53 S +ATOM 426 N SER C 195 -29.967 14.165 14.513 1.00 3.88 N +ATOM 427 CA SER C 195 -28.972 14.529 13.503 1.00 3.89 C +ATOM 428 C SER C 195 -29.259 13.800 12.191 1.00 3.93 C +ATOM 429 O SER C 195 -30.232 13.048 12.085 1.00 3.82 O +ATOM 430 CB SER C 195 -27.556 14.212 14.003 1.00 3.88 C +ATOM 431 OG SER C 195 -27.381 12.825 14.241 1.00 3.90 O +ATOM 432 N ARG C 196 -28.421 14.050 11.190 1.00 3.98 N +ATOM 433 CA ARG C 196 -28.543 13.404 9.887 1.00 4.09 C +ATOM 434 C ARG C 196 -27.301 12.581 9.576 1.00 4.01 C +ATOM 435 O ARG C 196 -26.189 12.986 9.899 1.00 3.93 O +ATOM 436 CB ARG C 196 -28.751 14.450 8.791 1.00 4.12 C +ATOM 437 CG ARG C 196 -30.213 14.796 8.518 1.00 4.68 C +ATOM 438 CD ARG C 196 -30.351 15.726 7.310 1.00 5.36 C +ATOM 439 NE ARG C 196 -29.771 15.139 6.097 1.00 5.95 N +ATOM 440 CZ ARG C 196 -29.561 15.790 4.952 1.00 5.88 C +ATOM 441 NH1 ARG C 196 -29.879 17.078 4.826 1.00 5.81 N +ATOM 442 NH2 ARG C 196 -29.022 15.143 3.920 1.00 5.85 N +ATOM 443 N CYS C 197 -27.501 11.428 8.942 1.00 4.06 N +ATOM 444 CA CYS C 197 -26.392 10.604 8.474 1.00 4.18 C +ATOM 445 C CYS C 197 -25.545 11.387 7.477 1.00 4.02 C +ATOM 446 O CYS C 197 -26.077 12.150 6.671 1.00 3.93 O +ATOM 447 CB CYS C 197 -26.904 9.331 7.795 1.00 4.24 C +ATOM 448 SG CYS C 197 -27.713 8.148 8.890 1.00 5.37 S +ATOM 449 N THR C 198 -24.230 11.201 7.538 1.00 3.96 N +ATOM 450 CA THR C 198 -23.340 11.762 6.526 1.00 3.94 C +ATOM 451 C THR C 198 -23.502 10.973 5.231 1.00 3.95 C +ATOM 452 O THR C 198 -24.120 9.904 5.214 1.00 4.01 O +ATOM 453 CB THR C 198 -21.864 11.723 6.959 1.00 3.93 C +ATOM 454 OG1 THR C 198 -21.471 10.369 7.223 1.00 4.03 O +ATOM 455 CG2 THR C 198 -21.647 12.570 8.203 1.00 3.88 C +ATOM 456 N SER C 199 -22.943 11.503 4.150 1.00 3.98 N +ATOM 457 CA SER C 199 -23.031 10.852 2.842 1.00 3.98 C +ATOM 458 C SER C 199 -22.528 9.401 2.886 1.00 3.93 C +ATOM 459 O SER C 199 -23.140 8.507 2.294 1.00 3.87 O +ATOM 460 CB SER C 199 -22.254 11.651 1.796 1.00 3.96 C +ATOM 461 OG SER C 199 -22.571 11.198 0.495 1.00 4.16 O +ATOM 462 N ASP C 200 -21.427 9.174 3.601 1.00 3.83 N +ATOM 463 CA ASP C 200 -20.865 7.829 3.755 1.00 3.80 C +ATOM 464 C ASP C 200 -21.742 6.931 4.633 1.00 3.71 C +ATOM 465 O ASP C 200 -21.934 5.753 4.325 1.00 3.69 O +ATOM 466 CB ASP C 200 -19.452 7.899 4.340 1.00 3.75 C +ATOM 467 CG ASP C 200 -18.471 8.605 3.423 1.00 3.97 C +ATOM 468 OD1 ASP C 200 -17.330 8.865 3.867 1.00 3.86 O +ATOM 469 OD2 ASP C 200 -18.837 8.901 2.262 1.00 4.23 O +ATOM 470 N GLN C 201 -22.258 7.485 5.727 1.00 3.63 N +ATOM 471 CA GLN C 201 -23.107 6.728 6.650 1.00 3.61 C +ATOM 472 C GLN C 201 -24.367 6.221 5.952 1.00 3.59 C +ATOM 473 O GLN C 201 -24.750 5.066 6.120 1.00 3.58 O +ATOM 474 CB GLN C 201 -23.482 7.579 7.868 1.00 3.62 C +ATOM 475 CG GLN C 201 -22.351 7.742 8.879 1.00 3.66 C +ATOM 476 CD GLN C 201 -22.635 8.805 9.933 1.00 3.76 C +ATOM 477 OE1 GLN C 201 -23.259 9.829 9.649 1.00 3.63 O +ATOM 478 NE2 GLN C 201 -22.163 8.570 11.155 1.00 3.42 N +ATOM 479 N LEU C 202 -24.991 7.088 5.159 1.00 3.53 N +ATOM 480 CA LEU C 202 -26.195 6.735 4.411 1.00 3.53 C +ATOM 481 C LEU C 202 -25.943 5.561 3.472 1.00 3.54 C +ATOM 482 O LEU C 202 -26.746 4.629 3.402 1.00 3.61 O +ATOM 483 CB LEU C 202 -26.690 7.939 3.605 1.00 3.49 C +ATOM 484 CG LEU C 202 -27.973 7.764 2.784 1.00 3.56 C +ATOM 485 CD1 LEU C 202 -29.171 7.438 3.674 1.00 3.35 C +ATOM 486 CD2 LEU C 202 -28.243 9.016 1.953 1.00 3.53 C +ATOM 487 N HIS C 203 -24.824 5.619 2.757 1.00 3.53 N +ATOM 488 CA HIS C 203 -24.459 4.594 1.777 1.00 3.54 C +ATOM 489 C HIS C 203 -24.196 3.232 2.420 1.00 3.52 C +ATOM 490 O HIS C 203 -24.555 2.199 1.855 1.00 3.35 O +ATOM 491 CB HIS C 203 -23.224 5.040 0.987 1.00 3.53 C +ATOM 492 CG HIS C 203 -22.902 4.161 -0.181 1.00 3.66 C +ATOM 493 ND1 HIS C 203 -21.931 3.184 -0.133 1.00 3.63 N +ATOM 494 CD2 HIS C 203 -23.423 4.113 -1.431 1.00 3.78 C +ATOM 495 CE1 HIS C 203 -21.865 2.573 -1.303 1.00 3.67 C +ATOM 496 NE2 HIS C 203 -22.759 3.118 -2.108 1.00 3.89 N +ATOM 497 N ILE C 204 -23.563 3.241 3.593 1.00 3.56 N +ATOM 498 CA ILE C 204 -23.233 2.011 4.312 1.00 3.62 C +ATOM 499 C ILE C 204 -24.499 1.295 4.788 1.00 3.55 C +ATOM 500 O ILE C 204 -24.570 0.066 4.759 1.00 3.47 O +ATOM 501 CB ILE C 204 -22.288 2.295 5.501 1.00 3.75 C +ATOM 502 CG1 ILE C 204 -20.916 2.742 4.986 1.00 4.20 C +ATOM 503 CG2 ILE C 204 -22.108 1.050 6.360 1.00 3.98 C +ATOM 504 CD1 ILE C 204 -20.113 3.553 5.984 1.00 4.54 C +ATOM 505 N LEU C 205 -25.494 2.074 5.208 1.00 3.51 N +ATOM 506 CA LEU C 205 -26.802 1.542 5.595 1.00 3.47 C +ATOM 507 C LEU C 205 -27.534 0.894 4.422 1.00 3.43 C +ATOM 508 O LEU C 205 -28.311 -0.046 4.613 1.00 3.41 O +ATOM 509 CB LEU C 205 -27.675 2.652 6.190 1.00 3.56 C +ATOM 510 CG LEU C 205 -27.202 3.192 7.540 1.00 3.50 C +ATOM 511 CD1 LEU C 205 -27.869 4.518 7.856 1.00 3.57 C +ATOM 512 CD2 LEU C 205 -27.464 2.174 8.638 1.00 3.71 C +ATOM 513 N LYS C 206 -27.295 1.405 3.217 1.00 3.34 N +ATOM 514 CA LYS C 206 -27.869 0.819 2.007 1.00 3.39 C +ATOM 515 C LYS C 206 -27.160 -0.474 1.630 1.00 3.41 C +ATOM 516 O LYS C 206 -27.813 -1.485 1.354 1.00 3.43 O +ATOM 517 CB LYS C 206 -27.817 1.813 0.843 1.00 3.43 C +ATOM 518 CG LYS C 206 -28.837 2.932 0.972 1.00 3.55 C +ATOM 519 CD LYS C 206 -28.551 4.068 0.014 1.00 3.80 C +ATOM 520 CE LYS C 206 -29.612 5.151 0.125 1.00 3.79 C +ATOM 521 NZ LYS C 206 -29.391 6.255 -0.843 1.00 3.99 N +ATOM 522 N VAL C 207 -25.827 -0.437 1.638 1.00 3.38 N +ATOM 523 CA VAL C 207 -25.008 -1.584 1.256 1.00 3.36 C +ATOM 524 C VAL C 207 -25.208 -2.764 2.199 1.00 3.47 C +ATOM 525 O VAL C 207 -25.310 -3.903 1.753 1.00 3.27 O +ATOM 526 CB VAL C 207 -23.499 -1.225 1.205 1.00 3.32 C +ATOM 527 CG1 VAL C 207 -22.663 -2.468 0.964 1.00 3.09 C +ATOM 528 CG2 VAL C 207 -23.231 -0.204 0.119 1.00 3.13 C +ATOM 529 N LEU C 208 -25.267 -2.493 3.501 1.00 3.77 N +ATOM 530 CA LEU C 208 -25.478 -3.559 4.490 1.00 3.90 C +ATOM 531 C LEU C 208 -26.959 -3.938 4.655 1.00 4.02 C +ATOM 532 O LEU C 208 -27.306 -4.712 5.553 1.00 4.31 O +ATOM 533 CB LEU C 208 -24.840 -3.199 5.840 1.00 3.88 C +ATOM 534 CG LEU C 208 -23.317 -3.375 5.966 1.00 4.06 C +ATOM 535 CD1 LEU C 208 -22.839 -4.628 5.238 1.00 4.22 C +ATOM 536 CD2 LEU C 208 -22.562 -2.170 5.454 1.00 4.51 C +ATOM 537 N GLY C 209 -27.824 -3.395 3.798 1.00 3.95 N +ATOM 538 CA GLY C 209 -29.188 -3.909 3.631 1.00 4.01 C +ATOM 539 C GLY C 209 -30.248 -3.413 4.601 1.00 4.01 C +ATOM 540 O GLY C 209 -31.337 -3.989 4.681 1.00 4.01 O +ATOM 541 N ILE C 210 -29.949 -2.340 5.327 1.00 4.01 N +ATOM 542 CA ILE C 210 -30.884 -1.797 6.308 1.00 4.02 C +ATOM 543 C ILE C 210 -31.864 -0.838 5.646 1.00 4.05 C +ATOM 544 O ILE C 210 -33.074 -0.927 5.874 1.00 4.08 O +ATOM 545 CB ILE C 210 -30.153 -1.059 7.444 1.00 4.14 C +ATOM 546 CG1 ILE C 210 -29.127 -1.981 8.120 1.00 4.28 C +ATOM 547 CG2 ILE C 210 -31.160 -0.553 8.472 1.00 3.79 C +ATOM 548 CD1 ILE C 210 -29.752 -3.210 8.792 1.00 4.67 C +ATOM 549 N LEU C 211 -31.335 0.074 4.829 1.00 4.07 N +ATOM 550 CA LEU C 211 -32.152 1.084 4.141 1.00 4.08 C +ATOM 551 C LEU C 211 -32.323 0.761 2.656 1.00 3.97 C +ATOM 552 O LEU C 211 -31.427 0.183 2.042 1.00 3.93 O +ATOM 553 CB LEU C 211 -31.508 2.472 4.266 1.00 4.18 C +ATOM 554 CG LEU C 211 -31.608 3.203 5.610 1.00 4.19 C +ATOM 555 CD1 LEU C 211 -30.721 4.449 5.616 1.00 4.00 C +ATOM 556 CD2 LEU C 211 -33.042 3.569 5.902 1.00 3.67 C +ATOM 557 N PRO C 212 -33.478 1.133 2.071 1.00 3.94 N +ATOM 558 CA PRO C 212 -33.619 1.037 0.614 1.00 3.89 C +ATOM 559 C PRO C 212 -32.654 1.975 -0.121 1.00 3.84 C +ATOM 560 O PRO C 212 -32.321 3.044 0.389 1.00 3.83 O +ATOM 561 CB PRO C 212 -35.075 1.450 0.364 1.00 3.84 C +ATOM 562 CG PRO C 212 -35.532 2.109 1.614 1.00 3.96 C +ATOM 563 CD PRO C 212 -34.740 1.525 2.724 1.00 3.90 C +ATOM 564 N PHE C 213 -32.219 1.577 -1.311 1.00 3.81 N +ATOM 565 CA PHE C 213 -31.201 2.339 -2.044 1.00 3.88 C +ATOM 566 C PHE C 213 -31.691 3.702 -2.550 1.00 3.82 C +ATOM 567 O PHE C 213 -30.878 4.595 -2.794 1.00 3.86 O +ATOM 568 CB PHE C 213 -30.616 1.514 -3.197 1.00 3.85 C +ATOM 569 CG PHE C 213 -29.377 0.737 -2.825 1.00 4.12 C +ATOM 570 CD1 PHE C 213 -29.472 -0.504 -2.208 1.00 4.33 C +ATOM 571 CD2 PHE C 213 -28.111 1.245 -3.103 1.00 4.30 C +ATOM 572 CE1 PHE C 213 -28.324 -1.226 -1.871 1.00 4.13 C +ATOM 573 CE2 PHE C 213 -26.960 0.532 -2.766 1.00 4.21 C +ATOM 574 CZ PHE C 213 -27.070 -0.704 -2.149 1.00 4.22 C +ATOM 575 N ASN C 214 -33.005 3.861 -2.701 1.00 3.79 N +ATOM 576 CA ASN C 214 -33.590 5.144 -3.121 1.00 3.75 C +ATOM 577 C ASN C 214 -33.606 6.219 -2.032 1.00 3.69 C +ATOM 578 O ASN C 214 -33.776 7.396 -2.339 1.00 3.78 O +ATOM 579 CB ASN C 214 -35.019 4.947 -3.641 1.00 3.73 C +ATOM 580 CG ASN C 214 -35.066 4.233 -4.985 1.00 3.88 C +ATOM 581 OD1 ASN C 214 -34.062 4.135 -5.695 1.00 3.73 O +ATOM 582 ND2 ASN C 214 -36.249 3.739 -5.347 1.00 3.81 N +ATOM 583 N ALA C 215 -33.436 5.819 -0.774 1.00 3.67 N +ATOM 584 CA ALA C 215 -33.511 6.749 0.358 1.00 3.71 C +ATOM 585 C ALA C 215 -32.524 7.915 0.212 1.00 3.78 C +ATOM 586 O ALA C 215 -31.319 7.697 0.120 1.00 3.67 O +ATOM 587 CB ALA C 215 -33.261 6.016 1.662 1.00 3.69 C +ATOM 588 N PRO C 216 -33.039 9.158 0.190 1.00 3.88 N +ATOM 589 CA PRO C 216 -32.186 10.327 -0.024 1.00 4.00 C +ATOM 590 C PRO C 216 -31.414 10.754 1.221 1.00 4.05 C +ATOM 591 O PRO C 216 -30.389 11.427 1.109 1.00 4.09 O +ATOM 592 CB PRO C 216 -33.190 11.417 -0.415 1.00 3.95 C +ATOM 593 CG PRO C 216 -34.418 11.049 0.308 1.00 3.92 C +ATOM 594 CD PRO C 216 -34.451 9.543 0.365 1.00 3.84 C +ATOM 595 N SER C 217 -31.919 10.377 2.392 1.00 4.10 N +ATOM 596 CA SER C 217 -31.305 10.747 3.661 1.00 4.12 C +ATOM 597 C SER C 217 -31.679 9.729 4.725 1.00 4.14 C +ATOM 598 O SER C 217 -32.429 8.791 4.463 1.00 4.23 O +ATOM 599 CB SER C 217 -31.782 12.134 4.099 1.00 4.17 C +ATOM 600 OG SER C 217 -33.134 12.096 4.545 1.00 4.27 O +ATOM 601 N CYS C 218 -31.156 9.927 5.927 1.00 4.17 N +ATOM 602 CA CYS C 218 -31.546 9.115 7.070 1.00 4.25 C +ATOM 603 C CYS C 218 -31.220 9.844 8.364 1.00 4.25 C +ATOM 604 O CYS C 218 -30.131 10.405 8.517 1.00 4.47 O +ATOM 605 CB CYS C 218 -30.846 7.761 7.038 1.00 4.22 C +ATOM 606 SG CYS C 218 -31.265 6.702 8.436 1.00 5.11 S +ATOM 607 N GLY C 219 -32.175 9.834 9.287 1.00 4.17 N +ATOM 608 CA GLY C 219 -32.007 10.470 10.588 1.00 4.18 C +ATOM 609 C GLY C 219 -31.246 9.600 11.574 1.00 4.20 C +ATOM 610 O GLY C 219 -31.074 8.393 11.365 1.00 4.29 O +ATOM 611 N LEU C 220 -30.792 10.230 12.653 1.00 4.08 N +ATOM 612 CA LEU C 220 -30.093 9.541 13.731 1.00 4.05 C +ATOM 613 C LEU C 220 -30.538 10.080 15.088 1.00 4.08 C +ATOM 614 O LEU C 220 -30.805 11.275 15.250 1.00 4.20 O +ATOM 615 CB LEU C 220 -28.576 9.697 13.591 1.00 3.94 C +ATOM 616 CG LEU C 220 -27.906 8.965 12.427 1.00 3.83 C +ATOM 617 CD1 LEU C 220 -26.443 9.366 12.330 1.00 3.33 C +ATOM 618 CD2 LEU C 220 -28.050 7.452 12.566 1.00 3.37 C +ATOM 619 N ILE C 221 -30.616 9.177 16.056 1.00 3.97 N +ATOM 620 CA ILE C 221 -30.958 9.522 17.420 1.00 3.86 C +ATOM 621 C ILE C 221 -29.987 8.776 18.329 1.00 3.83 C +ATOM 622 O ILE C 221 -29.677 7.608 18.088 1.00 3.75 O +ATOM 623 CB ILE C 221 -32.431 9.153 17.723 1.00 3.88 C +ATOM 624 CG1 ILE C 221 -32.864 9.717 19.074 1.00 3.92 C +ATOM 625 CG2 ILE C 221 -32.648 7.646 17.666 1.00 3.71 C +ATOM 626 CD1 ILE C 221 -34.365 9.705 19.268 1.00 3.89 C +ATOM 627 N THR C 222 -29.479 9.456 19.353 1.00 3.78 N +ATOM 628 CA THR C 222 -28.534 8.824 20.274 1.00 3.70 C +ATOM 629 C THR C 222 -29.254 7.767 21.104 1.00 3.64 C +ATOM 630 O THR C 222 -30.468 7.844 21.309 1.00 3.77 O +ATOM 631 CB THR C 222 -27.851 9.844 21.212 1.00 3.68 C +ATOM 632 OG1 THR C 222 -28.829 10.458 22.061 1.00 3.93 O +ATOM 633 CG2 THR C 222 -27.127 10.917 20.410 1.00 3.44 C +ATOM 634 N LEU C 223 -28.506 6.774 21.566 1.00 3.66 N +ATOM 635 CA LEU C 223 -29.070 5.703 22.386 1.00 3.59 C +ATOM 636 C LEU C 223 -29.737 6.257 23.645 1.00 3.61 C +ATOM 637 O LEU C 223 -30.783 5.762 24.060 1.00 3.63 O +ATOM 638 CB LEU C 223 -27.994 4.681 22.769 1.00 3.51 C +ATOM 639 CG LEU C 223 -28.451 3.509 23.642 1.00 3.40 C +ATOM 640 CD1 LEU C 223 -29.701 2.866 23.065 1.00 3.48 C +ATOM 641 CD2 LEU C 223 -27.344 2.479 23.805 1.00 2.82 C +ATOM 642 N THR C 224 -29.129 7.281 24.241 1.00 3.56 N +ATOM 643 CA THR C 224 -29.691 7.934 25.419 1.00 3.58 C +ATOM 644 C THR C 224 -31.033 8.583 25.082 1.00 3.61 C +ATOM 645 O THR C 224 -32.044 8.290 25.721 1.00 3.64 O +ATOM 646 CB THR C 224 -28.721 8.990 25.989 1.00 3.56 C +ATOM 647 OG1 THR C 224 -27.576 8.333 26.549 1.00 4.00 O +ATOM 648 CG2 THR C 224 -29.388 9.827 27.068 1.00 3.44 C +ATOM 649 N ASP C 225 -31.033 9.454 24.075 1.00 3.62 N +ATOM 650 CA ASP C 225 -32.255 10.135 23.636 1.00 3.69 C +ATOM 651 C ASP C 225 -33.344 9.136 23.223 1.00 3.69 C +ATOM 652 O ASP C 225 -34.518 9.320 23.546 1.00 3.61 O +ATOM 653 CB ASP C 225 -31.963 11.106 22.475 1.00 3.72 C +ATOM 654 CG ASP C 225 -31.323 12.426 22.933 1.00 3.72 C +ATOM 655 OD1 ASP C 225 -31.182 12.655 24.155 1.00 4.27 O +ATOM 656 OD2 ASP C 225 -30.967 13.248 22.059 1.00 2.85 O +ATOM 657 N ALA C 226 -32.947 8.081 22.516 1.00 3.71 N +ATOM 658 CA ALA C 226 -33.889 7.046 22.071 1.00 3.71 C +ATOM 659 C ALA C 226 -34.550 6.336 23.254 1.00 3.65 C +ATOM 660 O ALA C 226 -35.736 6.004 23.210 1.00 3.49 O +ATOM 661 CB ALA C 226 -33.178 6.030 21.175 1.00 3.65 C +ATOM 662 N GLN C 227 -33.768 6.109 24.305 1.00 3.69 N +ATOM 663 CA GLN C 227 -34.258 5.439 25.505 1.00 3.71 C +ATOM 664 C GLN C 227 -35.170 6.350 26.326 1.00 3.67 C +ATOM 665 O GLN C 227 -36.218 5.907 26.802 1.00 3.61 O +ATOM 666 CB GLN C 227 -33.091 4.890 26.335 1.00 3.70 C +ATOM 667 CG GLN C 227 -32.532 3.598 25.740 1.00 3.89 C +ATOM 668 CD GLN C 227 -31.326 3.040 26.474 1.00 4.49 C +ATOM 669 OE1 GLN C 227 -30.651 3.740 27.231 1.00 5.11 O +ATOM 670 NE2 GLN C 227 -31.041 1.767 26.236 1.00 4.58 N +ATOM 671 N ARG C 228 -34.782 7.619 26.473 1.00 3.63 N +ATOM 672 CA ARG C 228 -35.669 8.635 27.061 1.00 3.61 C +ATOM 673 C ARG C 228 -36.989 8.666 26.313 1.00 3.51 C +ATOM 674 O ARG C 228 -38.060 8.678 26.919 1.00 3.51 O +ATOM 675 CB ARG C 228 -35.059 10.033 26.966 1.00 3.62 C +ATOM 676 CG ARG C 228 -33.866 10.287 27.851 1.00 3.72 C +ATOM 677 CD ARG C 228 -33.312 11.679 27.587 1.00 3.79 C +ATOM 678 NE ARG C 228 -34.182 12.723 28.129 1.00 3.66 N +ATOM 679 CZ ARG C 228 -34.290 13.962 27.648 1.00 3.57 C +ATOM 680 NH1 ARG C 228 -33.595 14.355 26.581 1.00 3.18 N +ATOM 681 NH2 ARG C 228 -35.119 14.818 28.237 1.00 3.84 N +ATOM 682 N LEU C 229 -36.891 8.695 24.986 1.00 3.47 N +ATOM 683 CA LEU C 229 -38.059 8.773 24.113 1.00 3.51 C +ATOM 684 C LEU C 229 -38.987 7.570 24.297 1.00 3.59 C +ATOM 685 O LEU C 229 -40.205 7.735 24.419 1.00 3.58 O +ATOM 686 CB LEU C 229 -37.619 8.892 22.650 1.00 3.43 C +ATOM 687 CG LEU C 229 -38.706 9.019 21.580 1.00 3.26 C +ATOM 688 CD1 LEU C 229 -39.635 10.199 21.852 1.00 2.79 C +ATOM 689 CD2 LEU C 229 -38.053 9.148 20.214 1.00 2.80 C +ATOM 690 N CYS C 230 -38.408 6.372 24.326 1.00 3.62 N +ATOM 691 CA CYS C 230 -39.186 5.147 24.509 1.00 3.80 C +ATOM 692 C CYS C 230 -39.857 5.090 25.880 1.00 3.90 C +ATOM 693 O CYS C 230 -40.990 4.617 26.001 1.00 3.84 O +ATOM 694 CB CYS C 230 -38.315 3.913 24.304 1.00 3.81 C +ATOM 695 SG CYS C 230 -37.920 3.606 22.576 1.00 4.38 S +ATOM 696 N ASN C 231 -39.159 5.576 26.903 1.00 3.96 N +ATOM 697 CA ASN C 231 -39.728 5.664 28.246 1.00 3.95 C +ATOM 698 C ASN C 231 -40.979 6.525 28.281 1.00 3.98 C +ATOM 699 O ASN C 231 -42.007 6.112 28.821 1.00 4.13 O +ATOM 700 CB ASN C 231 -38.706 6.224 29.237 1.00 4.05 C +ATOM 701 CG ASN C 231 -37.677 5.202 29.653 1.00 4.10 C +ATOM 702 OD1 ASN C 231 -37.981 4.017 29.789 1.00 4.44 O +ATOM 703 ND2 ASN C 231 -36.451 5.656 29.874 1.00 4.21 N +ATOM 704 N ALA C 232 -40.888 7.716 27.693 1.00 3.88 N +ATOM 705 CA ALA C 232 -41.981 8.690 27.743 1.00 3.74 C +ATOM 706 C ALA C 232 -43.274 8.177 27.106 1.00 3.68 C +ATOM 707 O ALA C 232 -44.368 8.501 27.573 1.00 3.86 O +ATOM 708 CB ALA C 232 -41.552 9.996 27.087 1.00 3.73 C +ATOM 709 N LEU C 233 -43.145 7.369 26.057 1.00 3.58 N +ATOM 710 CA LEU C 233 -44.299 6.907 25.279 1.00 3.54 C +ATOM 711 C LEU C 233 -44.840 5.558 25.752 1.00 3.57 C +ATOM 712 O LEU C 233 -46.052 5.393 25.903 1.00 3.68 O +ATOM 713 CB LEU C 233 -43.931 6.819 23.796 1.00 3.56 C +ATOM 714 CG LEU C 233 -43.604 8.150 23.113 1.00 3.51 C +ATOM 715 CD1 LEU C 233 -42.809 7.927 21.830 1.00 3.32 C +ATOM 716 CD2 LEU C 233 -44.883 8.927 22.838 1.00 3.25 C +ATOM 717 N LEU C 234 -43.945 4.600 25.979 1.00 3.56 N +ATOM 718 CA LEU C 234 -44.340 3.237 26.356 1.00 3.56 C +ATOM 719 C LEU C 234 -44.646 3.089 27.849 1.00 3.60 C +ATOM 720 O LEU C 234 -45.475 2.262 28.230 1.00 3.46 O +ATOM 721 CB LEU C 234 -43.255 2.230 25.949 1.00 3.52 C +ATOM 722 CG LEU C 234 -43.216 1.871 24.460 1.00 3.47 C +ATOM 723 CD1 LEU C 234 -41.833 1.382 24.028 1.00 2.86 C +ATOM 724 CD2 LEU C 234 -44.284 0.833 24.151 1.00 3.03 C +ATOM 725 N ARG C 235 -43.961 3.873 28.683 1.00 3.71 N +ATOM 726 CA ARG C 235 -44.109 3.792 30.139 1.00 3.79 C +ATOM 727 C ARG C 235 -44.253 5.183 30.756 1.00 3.89 C +ATOM 728 O ARG C 235 -43.426 5.589 31.578 1.00 3.96 O +ATOM 729 CB ARG C 235 -42.904 3.079 30.758 1.00 3.77 C +ATOM 730 CG ARG C 235 -42.716 1.641 30.307 1.00 3.93 C +ATOM 731 CD ARG C 235 -41.331 1.130 30.668 1.00 3.94 C +ATOM 732 NE ARG C 235 -40.296 1.720 29.824 1.00 4.09 N +ATOM 733 CZ ARG C 235 -39.947 1.277 28.615 1.00 4.35 C +ATOM 734 NH1 ARG C 235 -40.548 0.221 28.071 1.00 4.81 N +ATOM 735 NH2 ARG C 235 -38.984 1.896 27.940 1.00 4.02 N +ATOM 736 N PRO C 236 -45.314 5.917 30.377 1.00 4.02 N +ATOM 737 CA PRO C 236 -45.512 7.263 30.919 1.00 4.07 C +ATOM 738 C PRO C 236 -45.818 7.247 32.416 1.00 4.12 C +ATOM 739 O PRO C 236 -46.015 6.174 32.993 1.00 4.21 O +ATOM 740 CB PRO C 236 -46.718 7.785 30.130 1.00 4.07 C +ATOM 741 CG PRO C 236 -47.479 6.564 29.758 1.00 3.99 C +ATOM 742 CD PRO C 236 -46.446 5.493 29.531 1.00 4.06 C +ATOM 743 N ARG C 237 -45.850 8.433 33.020 1.00 4.17 N +ATOM 744 CA AARG C 237 -46.155 8.581 34.445 0.50 4.18 C +ATOM 745 CA BARG C 237 -46.148 8.585 34.449 0.50 4.18 C +ATOM 746 C ARG C 237 -46.994 9.829 34.691 1.00 4.18 C +ATOM 747 O ARG C 237 -48.074 9.750 35.279 1.00 4.34 O +ATOM 748 CB AARG C 237 -44.860 8.635 35.259 0.50 4.20 C +ATOM 749 CB BARG C 237 -44.854 8.675 35.264 0.50 4.20 C +ATOM 750 CG AARG C 237 -44.339 7.266 35.679 0.50 4.21 C +ATOM 751 CG BARG C 237 -44.227 7.329 35.609 0.50 4.23 C +ATOM 752 CD AARG C 237 -42.897 7.058 35.241 0.50 4.27 C +ATOM 753 CD BARG C 237 -42.789 7.506 36.079 0.50 4.29 C +ATOM 754 NE AARG C 237 -42.081 8.256 35.421 0.50 4.22 N +ATOM 755 NE BARG C 237 -42.224 6.286 36.650 0.50 4.29 N +ATOM 756 CZ AARG C 237 -40.872 8.422 34.895 0.50 3.97 C +ATOM 757 CZ BARG C 237 -41.834 6.168 37.914 0.50 4.21 C +ATOM 758 NH1AARG C 237 -40.333 7.466 34.150 0.50 3.72 N +ATOM 759 NH1BARG C 237 -41.940 7.200 38.739 0.50 4.14 N +ATOM 760 NH2AARG C 237 -40.204 9.547 35.112 0.50 3.94 N +ATOM 761 NH2BARG C 237 -41.328 5.023 38.353 0.50 4.16 N Added: SwiftApps/modFTdock/input/3eq5-4.pdb =================================================================== --- SwiftApps/modFTdock/input/3eq5-4.pdb (rev 0) +++ SwiftApps/modFTdock/input/3eq5-4.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,748 @@ +ATOM 1 N SER D 141 -46.679 -9.707 -14.351 1.00 4.29 N +ATOM 2 CA SER D 141 -46.407 -10.391 -13.053 1.00 4.29 C +ATOM 3 C SER D 141 -45.166 -9.816 -12.372 1.00 4.28 C +ATOM 4 O SER D 141 -45.180 -9.565 -11.167 1.00 4.33 O +ATOM 5 CB SER D 141 -46.232 -11.897 -13.268 1.00 4.30 C +ATOM 6 OG SER D 141 -46.041 -12.572 -12.035 1.00 4.30 O +ATOM 7 N THR D 142 -44.102 -9.621 -13.151 1.00 4.26 N +ATOM 8 CA THR D 142 -42.836 -9.067 -12.646 1.00 4.22 C +ATOM 9 C THR D 142 -42.602 -7.609 -13.076 1.00 4.21 C +ATOM 10 O THR D 142 -41.577 -7.015 -12.733 1.00 4.15 O +ATOM 11 CB THR D 142 -41.631 -9.929 -13.096 1.00 4.22 C +ATOM 12 OG1 THR D 142 -40.424 -9.406 -12.526 1.00 4.30 O +ATOM 13 CG2 THR D 142 -41.509 -9.958 -14.621 1.00 4.17 C +ATOM 14 N GLU D 143 -43.554 -7.041 -13.815 1.00 4.19 N +ATOM 15 CA GLU D 143 -43.453 -5.665 -14.300 1.00 4.20 C +ATOM 16 C GLU D 143 -43.848 -4.665 -13.206 1.00 4.14 C +ATOM 17 O GLU D 143 -45.030 -4.527 -12.878 1.00 4.22 O +ATOM 18 CB GLU D 143 -44.342 -5.485 -15.535 1.00 4.27 C +ATOM 19 CG GLU D 143 -44.114 -4.182 -16.300 1.00 4.59 C +ATOM 20 CD GLU D 143 -44.844 -4.143 -17.640 1.00 4.99 C +ATOM 21 OE1 GLU D 143 -45.786 -4.943 -17.841 1.00 5.32 O +ATOM 22 OE2 GLU D 143 -44.476 -3.308 -18.494 1.00 5.27 O +ATOM 23 N LEU D 144 -42.854 -3.969 -12.653 1.00 4.05 N +ATOM 24 CA LEU D 144 -43.074 -3.024 -11.553 1.00 3.97 C +ATOM 25 C LEU D 144 -43.435 -1.633 -12.066 1.00 3.92 C +ATOM 26 O LEU D 144 -42.712 -1.054 -12.876 1.00 3.92 O +ATOM 27 CB LEU D 144 -41.835 -2.947 -10.649 1.00 4.00 C +ATOM 28 CG LEU D 144 -41.855 -1.902 -9.521 1.00 4.04 C +ATOM 29 CD1 LEU D 144 -41.169 -2.421 -8.273 1.00 4.26 C +ATOM 30 CD2 LEU D 144 -41.214 -0.593 -9.967 1.00 4.20 C +ATOM 31 N THR D 145 -44.555 -1.108 -11.572 1.00 3.90 N +ATOM 32 CA THR D 145 -45.034 0.231 -11.921 1.00 3.89 C +ATOM 33 C THR D 145 -45.427 0.979 -10.635 1.00 3.90 C +ATOM 34 O THR D 145 -45.005 0.592 -9.541 1.00 3.83 O +ATOM 35 CB THR D 145 -46.209 0.150 -12.935 1.00 3.86 C +ATOM 36 OG1 THR D 145 -46.580 1.467 -13.362 1.00 3.85 O +ATOM 37 CG2 THR D 145 -47.412 -0.552 -12.328 1.00 3.91 C +ATOM 38 N GLN D 146 -46.210 2.051 -10.758 1.00 3.96 N +ATOM 39 CA GLN D 146 -46.636 2.828 -9.585 1.00 4.02 C +ATOM 40 C GLN D 146 -48.006 3.494 -9.768 1.00 3.96 C +ATOM 41 O GLN D 146 -48.362 3.915 -10.866 1.00 3.87 O +ATOM 42 CB GLN D 146 -45.579 3.881 -9.232 1.00 4.04 C +ATOM 43 CG GLN D 146 -45.241 4.841 -10.367 1.00 4.43 C +ATOM 44 CD GLN D 146 -44.172 5.855 -9.986 1.00 5.24 C +ATOM 45 OE1 GLN D 146 -43.312 5.587 -9.140 1.00 5.71 O +ATOM 46 NE2 GLN D 146 -44.218 7.027 -10.618 1.00 5.34 N +ATOM 47 N THR D 147 -48.757 3.587 -8.673 1.00 4.03 N +ATOM 48 CA THR D 147 -50.114 4.140 -8.680 1.00 4.05 C +ATOM 49 C THR D 147 -50.343 5.036 -7.457 1.00 4.04 C +ATOM 50 O THR D 147 -49.786 4.793 -6.389 1.00 4.14 O +ATOM 51 CB THR D 147 -51.170 3.014 -8.700 1.00 3.97 C +ATOM 52 OG1 THR D 147 -52.472 3.572 -8.907 1.00 4.47 O +ATOM 53 CG2 THR D 147 -51.162 2.238 -7.397 1.00 4.03 C +ATOM 54 N VAL D 148 -51.169 6.066 -7.623 1.00 4.07 N +ATOM 55 CA VAL D 148 -51.400 7.063 -6.574 1.00 4.06 C +ATOM 56 C VAL D 148 -52.373 6.564 -5.504 1.00 4.06 C +ATOM 57 O VAL D 148 -53.483 6.128 -5.820 1.00 4.13 O +ATOM 58 CB VAL D 148 -51.959 8.383 -7.166 1.00 4.04 C +ATOM 59 CG1 VAL D 148 -52.301 9.372 -6.057 1.00 4.13 C +ATOM 60 CG2 VAL D 148 -50.962 8.998 -8.128 1.00 3.95 C +ATOM 61 N LEU D 149 -51.946 6.644 -4.243 1.00 4.02 N +ATOM 62 CA LEU D 149 -52.813 6.375 -3.093 1.00 4.02 C +ATOM 63 C LEU D 149 -52.687 7.512 -2.076 1.00 4.03 C +ATOM 64 O LEU D 149 -51.600 7.769 -1.564 1.00 4.01 O +ATOM 65 CB LEU D 149 -52.444 5.047 -2.430 1.00 4.08 C +ATOM 66 CG LEU D 149 -53.388 4.567 -1.320 1.00 4.03 C +ATOM 67 CD1 LEU D 149 -54.774 4.280 -1.880 1.00 3.62 C +ATOM 68 CD2 LEU D 149 -52.826 3.333 -0.637 1.00 3.85 C +ATOM 69 N GLU D 150 -53.804 8.185 -1.798 1.00 4.01 N +ATOM 70 CA GLU D 150 -53.849 9.325 -0.873 1.00 3.95 C +ATOM 71 C GLU D 150 -52.773 10.372 -1.176 1.00 3.91 C +ATOM 72 O GLU D 150 -52.123 10.892 -0.269 1.00 3.86 O +ATOM 73 CB GLU D 150 -53.735 8.845 0.579 1.00 3.97 C +ATOM 74 CG GLU D 150 -54.845 7.886 1.020 1.00 4.10 C +ATOM 75 CD GLU D 150 -56.224 8.531 1.074 1.00 4.33 C +ATOM 76 OE1 GLU D 150 -56.310 9.770 1.233 1.00 4.47 O +ATOM 77 OE2 GLU D 150 -57.227 7.790 0.965 1.00 4.19 O +ATOM 78 N GLY D 151 -52.590 10.668 -2.461 1.00 3.94 N +ATOM 79 CA GLY D 151 -51.634 11.684 -2.908 1.00 3.94 C +ATOM 80 C GLY D 151 -50.193 11.212 -2.981 1.00 4.02 C +ATOM 81 O GLY D 151 -49.314 11.968 -3.399 1.00 4.04 O +ATOM 82 N GLU D 152 -49.948 9.965 -2.583 1.00 4.07 N +ATOM 83 CA GLU D 152 -48.602 9.398 -2.561 1.00 4.16 C +ATOM 84 C GLU D 152 -48.441 8.337 -3.642 1.00 4.08 C +ATOM 85 O GLU D 152 -49.362 7.564 -3.905 1.00 4.15 O +ATOM 86 CB GLU D 152 -48.305 8.800 -1.186 1.00 4.22 C +ATOM 87 CG GLU D 152 -47.991 9.852 -0.135 1.00 4.86 C +ATOM 88 CD GLU D 152 -48.210 9.355 1.281 1.00 5.83 C +ATOM 89 OE1 GLU D 152 -47.887 8.179 1.560 1.00 6.49 O +ATOM 90 OE2 GLU D 152 -48.701 10.145 2.118 1.00 6.30 O +ATOM 91 N SER D 153 -47.263 8.312 -4.259 1.00 4.06 N +ATOM 92 CA SER D 153 -46.956 7.369 -5.332 1.00 3.99 C +ATOM 93 C SER D 153 -46.432 6.052 -4.756 1.00 3.85 C +ATOM 94 O SER D 153 -45.259 5.948 -4.398 1.00 3.89 O +ATOM 95 CB SER D 153 -45.931 7.985 -6.291 1.00 3.99 C +ATOM 96 OG SER D 153 -45.684 7.137 -7.400 1.00 4.39 O +ATOM 97 N ILE D 154 -47.316 5.058 -4.665 1.00 3.74 N +ATOM 98 CA ILE D 154 -46.974 3.732 -4.141 1.00 3.64 C +ATOM 99 C ILE D 154 -46.567 2.791 -5.271 1.00 3.64 C +ATOM 100 O ILE D 154 -47.250 2.723 -6.293 1.00 3.75 O +ATOM 101 CB ILE D 154 -48.173 3.086 -3.416 1.00 3.66 C +ATOM 102 CG1 ILE D 154 -48.698 3.991 -2.289 1.00 3.64 C +ATOM 103 CG2 ILE D 154 -47.788 1.712 -2.876 1.00 3.33 C +ATOM 104 CD1 ILE D 154 -47.703 4.233 -1.162 1.00 3.34 C +ATOM 105 N SER D 155 -45.472 2.057 -5.075 1.00 3.55 N +ATOM 106 CA SER D 155 -44.996 1.078 -6.058 1.00 3.57 C +ATOM 107 C SER D 155 -45.912 -0.142 -6.100 1.00 3.59 C +ATOM 108 O SER D 155 -46.360 -0.628 -5.061 1.00 3.64 O +ATOM 109 CB SER D 155 -43.564 0.632 -5.738 1.00 3.51 C +ATOM 110 OG SER D 155 -42.645 1.700 -5.907 1.00 3.46 O +ATOM 111 N CYS D 156 -46.181 -0.639 -7.302 1.00 3.60 N +ATOM 112 CA CYS D 156 -47.116 -1.747 -7.468 1.00 3.64 C +ATOM 113 C CYS D 156 -46.786 -2.635 -8.660 1.00 3.63 C +ATOM 114 O CYS D 156 -46.081 -2.225 -9.584 1.00 3.56 O +ATOM 115 CB CYS D 156 -48.542 -1.209 -7.615 1.00 3.68 C +ATOM 116 SG CYS D 156 -48.820 -0.221 -9.106 1.00 3.74 S +ATOM 117 N PHE D 157 -47.314 -3.856 -8.623 1.00 3.60 N +ATOM 118 CA PHE D 157 -47.148 -4.817 -9.707 1.00 3.62 C +ATOM 119 C PHE D 157 -48.457 -4.980 -10.475 1.00 3.66 C +ATOM 120 O PHE D 157 -49.489 -5.293 -9.884 1.00 3.67 O +ATOM 121 CB PHE D 157 -46.717 -6.175 -9.152 1.00 3.59 C +ATOM 122 CG PHE D 157 -45.315 -6.197 -8.606 1.00 3.38 C +ATOM 123 CD1 PHE D 157 -45.087 -6.282 -7.238 1.00 3.19 C +ATOM 124 CD2 PHE D 157 -44.225 -6.145 -9.461 1.00 3.16 C +ATOM 125 CE1 PHE D 157 -43.796 -6.308 -6.736 1.00 3.42 C +ATOM 126 CE2 PHE D 157 -42.932 -6.170 -8.966 1.00 3.11 C +ATOM 127 CZ PHE D 157 -42.715 -6.253 -7.605 1.00 3.04 C +ATOM 128 N GLN D 158 -48.412 -4.766 -11.789 1.00 3.77 N +ATOM 129 CA GLN D 158 -49.580 -4.985 -12.644 1.00 3.85 C +ATOM 130 C GLN D 158 -49.721 -6.478 -12.944 1.00 3.86 C +ATOM 131 O GLN D 158 -48.979 -7.028 -13.760 1.00 3.84 O +ATOM 132 CB GLN D 158 -49.471 -4.177 -13.945 1.00 3.88 C +ATOM 133 CG GLN D 158 -50.736 -4.192 -14.819 1.00 4.00 C +ATOM 134 CD GLN D 158 -51.902 -3.430 -14.200 1.00 4.10 C +ATOM 135 OE1 GLN D 158 -51.806 -2.232 -13.939 1.00 4.20 O +ATOM 136 NE2 GLN D 158 -53.013 -4.123 -13.975 1.00 4.19 N +ATOM 137 N VAL D 159 -50.673 -7.124 -12.271 1.00 3.90 N +ATOM 138 CA VAL D 159 -50.923 -8.556 -12.438 1.00 3.92 C +ATOM 139 C VAL D 159 -52.216 -8.762 -13.224 1.00 4.04 C +ATOM 140 O VAL D 159 -53.230 -9.215 -12.685 1.00 4.16 O +ATOM 141 CB VAL D 159 -51.007 -9.281 -11.075 1.00 3.91 C +ATOM 142 CG1 VAL D 159 -51.060 -10.794 -11.271 1.00 3.71 C +ATOM 143 CG2 VAL D 159 -49.827 -8.898 -10.202 1.00 3.76 C +ATOM 144 N GLY D 160 -52.170 -8.402 -14.503 1.00 4.08 N +ATOM 145 CA GLY D 160 -53.299 -8.588 -15.409 1.00 4.11 C +ATOM 146 C GLY D 160 -54.611 -8.030 -14.891 1.00 4.21 C +ATOM 147 O GLY D 160 -55.504 -8.785 -14.495 1.00 4.46 O +ATOM 148 N GLY D 161 -54.730 -6.706 -14.892 1.00 4.19 N +ATOM 149 CA GLY D 161 -55.979 -6.040 -14.503 1.00 4.16 C +ATOM 150 C GLY D 161 -55.976 -5.505 -13.085 1.00 4.09 C +ATOM 151 O GLY D 161 -56.523 -4.434 -12.826 1.00 4.16 O +ATOM 152 N GLU D 162 -55.377 -6.259 -12.167 1.00 4.00 N +ATOM 153 CA GLU D 162 -55.231 -5.831 -10.777 1.00 3.96 C +ATOM 154 C GLU D 162 -53.842 -5.253 -10.535 1.00 3.91 C +ATOM 155 O GLU D 162 -52.838 -5.837 -10.951 1.00 3.84 O +ATOM 156 CB GLU D 162 -55.442 -7.004 -9.818 1.00 3.98 C +ATOM 157 CG GLU D 162 -56.863 -7.183 -9.325 1.00 4.30 C +ATOM 158 CD GLU D 162 -56.980 -8.278 -8.270 1.00 4.77 C +ATOM 159 OE1 GLU D 162 -55.932 -8.719 -7.738 1.00 4.74 O +ATOM 160 OE2 GLU D 162 -58.122 -8.701 -7.976 1.00 4.88 O +ATOM 161 N LYS D 163 -53.793 -4.112 -9.854 1.00 3.86 N +ATOM 162 CA LYS D 163 -52.537 -3.566 -9.355 1.00 3.84 C +ATOM 163 C LYS D 163 -52.355 -4.027 -7.915 1.00 3.83 C +ATOM 164 O LYS D 163 -53.237 -3.819 -7.080 1.00 3.76 O +ATOM 165 CB LYS D 163 -52.530 -2.039 -9.447 1.00 3.78 C +ATOM 166 CG LYS D 163 -52.428 -1.537 -10.875 1.00 3.92 C +ATOM 167 CD LYS D 163 -52.545 -0.026 -10.980 1.00 4.14 C +ATOM 168 CE LYS D 163 -52.703 0.407 -12.434 1.00 4.34 C +ATOM 169 NZ LYS D 163 -53.066 1.842 -12.565 1.00 4.76 N +ATOM 170 N ARG D 164 -51.225 -4.677 -7.643 1.00 3.80 N +ATOM 171 CA ARG D 164 -50.881 -5.130 -6.297 1.00 3.87 C +ATOM 172 C ARG D 164 -49.884 -4.143 -5.691 1.00 3.81 C +ATOM 173 O ARG D 164 -48.733 -4.085 -6.121 1.00 3.97 O +ATOM 174 CB ARG D 164 -50.259 -6.529 -6.341 1.00 3.93 C +ATOM 175 CG ARG D 164 -51.080 -7.597 -7.064 1.00 4.44 C +ATOM 176 CD ARG D 164 -52.239 -8.142 -6.222 1.00 5.01 C +ATOM 177 NE ARG D 164 -52.272 -9.608 -6.253 1.00 5.40 N +ATOM 178 CZ ARG D 164 -52.696 -10.347 -7.278 1.00 5.87 C +ATOM 179 NH1 ARG D 164 -52.666 -11.673 -7.189 1.00 5.93 N +ATOM 180 NH2 ARG D 164 -53.154 -9.780 -8.391 1.00 6.28 N +ATOM 181 N LEU D 165 -50.323 -3.379 -4.694 1.00 3.78 N +ATOM 182 CA LEU D 165 -49.496 -2.329 -4.089 1.00 3.68 C +ATOM 183 C LEU D 165 -48.546 -2.887 -3.037 1.00 3.84 C +ATOM 184 O LEU D 165 -48.914 -3.782 -2.269 1.00 3.88 O +ATOM 185 CB LEU D 165 -50.370 -1.242 -3.451 1.00 3.62 C +ATOM 186 CG LEU D 165 -50.902 -0.155 -4.387 1.00 3.56 C +ATOM 187 CD1 LEU D 165 -51.761 -0.748 -5.488 1.00 3.02 C +ATOM 188 CD2 LEU D 165 -51.679 0.887 -3.596 1.00 3.51 C +ATOM 189 N CYS D 166 -47.329 -2.338 -3.007 1.00 3.84 N +ATOM 190 CA CYS D 166 -46.331 -2.660 -1.985 1.00 3.83 C +ATOM 191 C CYS D 166 -46.828 -2.249 -0.598 1.00 3.81 C +ATOM 192 O CYS D 166 -47.009 -1.062 -0.324 1.00 3.72 O +ATOM 193 CB CYS D 166 -45.016 -1.942 -2.294 1.00 3.87 C +ATOM 194 SG CYS D 166 -43.752 -2.090 -1.008 1.00 4.18 S +ATOM 195 N LEU D 167 -47.026 -3.238 0.272 1.00 3.85 N +ATOM 196 CA LEU D 167 -47.716 -3.036 1.553 1.00 3.82 C +ATOM 197 C LEU D 167 -46.921 -2.234 2.594 1.00 3.84 C +ATOM 198 O LEU D 167 -47.510 -1.447 3.334 1.00 3.83 O +ATOM 199 CB LEU D 167 -48.150 -4.385 2.139 1.00 3.72 C +ATOM 200 CG LEU D 167 -49.069 -4.351 3.363 1.00 3.79 C +ATOM 201 CD1 LEU D 167 -50.415 -3.730 3.030 1.00 3.61 C +ATOM 202 CD2 LEU D 167 -49.256 -5.755 3.912 1.00 3.94 C +ATOM 203 N PRO D 168 -45.595 -2.437 2.675 1.00 3.87 N +ATOM 204 CA PRO D 168 -44.812 -1.596 3.591 1.00 3.97 C +ATOM 205 C PRO D 168 -44.953 -0.084 3.351 1.00 4.04 C +ATOM 206 O PRO D 168 -44.943 0.690 4.309 1.00 4.22 O +ATOM 207 CB PRO D 168 -43.378 -2.060 3.344 1.00 3.90 C +ATOM 208 CG PRO D 168 -43.521 -3.489 2.989 1.00 3.91 C +ATOM 209 CD PRO D 168 -44.817 -3.602 2.216 1.00 3.94 C +ATOM 210 N GLN D 169 -45.096 0.328 2.095 1.00 4.00 N +ATOM 211 CA GLN D 169 -45.303 1.744 1.775 1.00 4.01 C +ATOM 212 C GLN D 169 -46.700 2.222 2.191 1.00 4.03 C +ATOM 213 O GLN D 169 -46.890 3.389 2.536 1.00 4.13 O +ATOM 214 CB GLN D 169 -45.097 1.997 0.278 1.00 4.05 C +ATOM 215 CG GLN D 169 -43.647 1.914 -0.179 1.00 4.12 C +ATOM 216 CD GLN D 169 -43.489 2.181 -1.666 1.00 4.36 C +ATOM 217 OE1 GLN D 169 -44.361 1.839 -2.466 1.00 4.38 O +ATOM 218 NE2 GLN D 169 -42.367 2.789 -2.045 1.00 4.02 N +ATOM 219 N VAL D 170 -47.676 1.321 2.149 1.00 3.93 N +ATOM 220 CA VAL D 170 -49.041 1.657 2.534 1.00 3.92 C +ATOM 221 C VAL D 170 -49.136 1.830 4.048 1.00 3.99 C +ATOM 222 O VAL D 170 -49.670 2.827 4.533 1.00 4.11 O +ATOM 223 CB VAL D 170 -50.045 0.575 2.081 1.00 3.92 C +ATOM 224 CG1 VAL D 170 -51.463 0.966 2.473 1.00 3.50 C +ATOM 225 CG2 VAL D 170 -49.942 0.354 0.577 1.00 3.81 C +ATOM 226 N LEU D 171 -48.604 0.858 4.783 1.00 4.05 N +ATOM 227 CA LEU D 171 -48.668 0.856 6.243 1.00 4.06 C +ATOM 228 C LEU D 171 -47.782 1.931 6.881 1.00 4.18 C +ATOM 229 O LEU D 171 -48.220 2.634 7.794 1.00 4.44 O +ATOM 230 CB LEU D 171 -48.266 -0.517 6.789 1.00 4.10 C +ATOM 231 CG LEU D 171 -49.169 -1.703 6.445 1.00 3.97 C +ATOM 232 CD1 LEU D 171 -48.502 -3.008 6.845 1.00 3.91 C +ATOM 233 CD2 LEU D 171 -50.512 -1.565 7.129 1.00 4.47 C +ATOM 234 N ASN D 172 -46.547 2.059 6.400 1.00 4.12 N +ATOM 235 CA ASN D 172 -45.558 2.939 7.036 1.00 4.19 C +ATOM 236 C ASN D 172 -45.606 4.421 6.640 1.00 4.17 C +ATOM 237 O ASN D 172 -44.901 5.237 7.244 1.00 4.29 O +ATOM 238 CB ASN D 172 -44.137 2.404 6.798 1.00 4.18 C +ATOM 239 CG ASN D 172 -43.913 1.034 7.419 1.00 4.34 C +ATOM 240 OD1 ASN D 172 -44.558 0.667 8.403 1.00 4.56 O +ATOM 241 ND2 ASN D 172 -42.984 0.273 6.849 1.00 5.03 N +ATOM 242 N SER D 173 -46.409 4.777 5.638 1.00 4.03 N +ATOM 243 CA SER D 173 -46.522 6.182 5.225 1.00 3.95 C +ATOM 244 C SER D 173 -47.975 6.616 5.129 1.00 3.86 C +ATOM 245 O SER D 173 -48.413 7.472 5.897 1.00 3.85 O +ATOM 246 CB SER D 173 -45.804 6.432 3.897 1.00 3.93 C +ATOM 247 OG SER D 173 -46.607 6.049 2.795 1.00 4.40 O +ATOM 248 N VAL D 174 -48.718 6.019 4.197 1.00 3.74 N +ATOM 249 CA VAL D 174 -50.114 6.395 3.972 1.00 3.67 C +ATOM 250 C VAL D 174 -50.949 6.219 5.243 1.00 3.65 C +ATOM 251 O VAL D 174 -51.743 7.094 5.586 1.00 3.69 O +ATOM 252 CB VAL D 174 -50.766 5.599 2.803 1.00 3.68 C +ATOM 253 CG1 VAL D 174 -52.269 5.880 2.730 1.00 3.53 C +ATOM 254 CG2 VAL D 174 -50.108 5.950 1.478 1.00 3.48 C +ATOM 255 N LEU D 175 -50.755 5.102 5.940 1.00 3.58 N +ATOM 256 CA LEU D 175 -51.562 4.771 7.121 1.00 3.56 C +ATOM 257 C LEU D 175 -50.752 4.803 8.415 1.00 3.51 C +ATOM 258 O LEU D 175 -51.144 4.197 9.418 1.00 3.25 O +ATOM 259 CB LEU D 175 -52.220 3.399 6.938 1.00 3.61 C +ATOM 260 CG LEU D 175 -53.012 3.215 5.638 1.00 3.50 C +ATOM 261 CD1 LEU D 175 -53.672 1.842 5.594 1.00 3.24 C +ATOM 262 CD2 LEU D 175 -54.047 4.320 5.478 1.00 3.41 C +ATOM 263 N ARG D 176 -49.643 5.543 8.393 1.00 3.60 N +ATOM 264 CA ARG D 176 -48.733 5.637 9.538 1.00 3.61 C +ATOM 265 C ARG D 176 -49.408 6.142 10.819 1.00 3.64 C +ATOM 266 O ARG D 176 -48.984 5.797 11.921 1.00 3.61 O +ATOM 267 CB ARG D 176 -47.542 6.536 9.194 1.00 3.60 C +ATOM 268 CG ARG D 176 -46.469 6.639 10.285 1.00 3.59 C +ATOM 269 CD ARG D 176 -45.868 5.287 10.659 1.00 3.48 C +ATOM 270 NE ARG D 176 -44.886 5.409 11.737 1.00 3.36 N +ATOM 271 CZ ARG D 176 -45.185 5.523 13.031 1.00 3.14 C +ATOM 272 NH1 ARG D 176 -46.449 5.534 13.442 1.00 2.79 N +ATOM 273 NH2 ARG D 176 -44.209 5.628 13.925 1.00 3.17 N +ATOM 274 N GLU D 177 -50.456 6.947 10.676 1.00 3.66 N +ATOM 275 CA GLU D 177 -51.161 7.482 11.838 1.00 3.74 C +ATOM 276 C GLU D 177 -52.031 6.443 12.559 1.00 3.70 C +ATOM 277 O GLU D 177 -52.533 6.709 13.651 1.00 3.70 O +ATOM 278 CB GLU D 177 -51.995 8.706 11.442 1.00 3.81 C +ATOM 279 CG GLU D 177 -53.233 8.406 10.614 1.00 4.06 C +ATOM 280 CD GLU D 177 -53.861 9.663 10.042 1.00 4.61 C +ATOM 281 OE1 GLU D 177 -54.861 10.149 10.621 1.00 4.93 O +ATOM 282 OE2 GLU D 177 -53.348 10.174 9.020 1.00 4.60 O +ATOM 283 N PHE D 178 -52.198 5.266 11.956 1.00 3.70 N +ATOM 284 CA PHE D 178 -52.974 4.180 12.555 1.00 3.70 C +ATOM 285 C PHE D 178 -52.074 3.008 12.918 1.00 3.74 C +ATOM 286 O PHE D 178 -51.192 2.640 12.144 1.00 3.78 O +ATOM 287 CB PHE D 178 -54.050 3.705 11.580 1.00 3.72 C +ATOM 288 CG PHE D 178 -54.935 4.808 11.075 1.00 3.68 C +ATOM 289 CD1 PHE D 178 -55.995 5.272 11.847 1.00 3.49 C +ATOM 290 CD2 PHE D 178 -54.705 5.388 9.832 1.00 3.46 C +ATOM 291 CE1 PHE D 178 -56.820 6.298 11.386 1.00 3.67 C +ATOM 292 CE2 PHE D 178 -55.523 6.411 9.359 1.00 3.83 C +ATOM 293 CZ PHE D 178 -56.585 6.869 10.139 1.00 3.68 C +ATOM 294 N THR D 179 -52.314 2.414 14.086 1.00 3.73 N +ATOM 295 CA THR D 179 -51.498 1.294 14.568 1.00 3.72 C +ATOM 296 C THR D 179 -51.749 0.039 13.733 1.00 3.76 C +ATOM 297 O THR D 179 -52.792 -0.086 13.089 1.00 3.72 O +ATOM 298 CB THR D 179 -51.790 0.964 16.049 1.00 3.69 C +ATOM 299 OG1 THR D 179 -53.127 0.472 16.179 1.00 3.60 O +ATOM 300 CG2 THR D 179 -51.613 2.193 16.934 1.00 3.61 C +ATOM 301 N LEU D 180 -50.795 -0.890 13.756 1.00 3.74 N +ATOM 302 CA LEU D 180 -50.918 -2.137 12.993 1.00 3.77 C +ATOM 303 C LEU D 180 -52.129 -2.981 13.421 1.00 3.88 C +ATOM 304 O LEU D 180 -52.799 -3.578 12.578 1.00 3.99 O +ATOM 305 CB LEU D 180 -49.634 -2.961 13.097 1.00 3.71 C +ATOM 306 CG LEU D 180 -48.400 -2.348 12.425 1.00 3.67 C +ATOM 307 CD1 LEU D 180 -47.183 -3.255 12.596 1.00 3.14 C +ATOM 308 CD2 LEU D 180 -48.663 -2.077 10.948 1.00 3.42 C +ATOM 309 N GLN D 181 -52.409 -3.026 14.721 1.00 3.89 N +ATOM 310 CA GLN D 181 -53.595 -3.727 15.226 1.00 3.96 C +ATOM 311 C GLN D 181 -54.876 -3.075 14.701 1.00 3.94 C +ATOM 312 O GLN D 181 -55.840 -3.762 14.365 1.00 3.90 O +ATOM 313 CB GLN D 181 -53.606 -3.743 16.759 1.00 4.02 C +ATOM 314 CG GLN D 181 -54.790 -4.494 17.374 1.00 4.20 C +ATOM 315 CD GLN D 181 -54.812 -4.422 18.892 1.00 4.64 C +ATOM 316 OE1 GLN D 181 -53.765 -4.379 19.542 1.00 5.08 O +ATOM 317 NE2 GLN D 181 -56.012 -4.415 19.466 1.00 4.73 N +ATOM 318 N GLN D 182 -54.868 -1.747 14.637 1.00 3.95 N +ATOM 319 CA GLN D 182 -55.990 -0.966 14.111 1.00 3.92 C +ATOM 320 C GLN D 182 -56.197 -1.216 12.613 1.00 3.92 C +ATOM 321 O GLN D 182 -57.330 -1.285 12.140 1.00 4.01 O +ATOM 322 CB GLN D 182 -55.737 0.522 14.374 1.00 3.95 C +ATOM 323 CG GLN D 182 -56.946 1.432 14.244 1.00 4.19 C +ATOM 324 CD GLN D 182 -56.680 2.828 14.801 1.00 4.38 C +ATOM 325 OE1 GLN D 182 -55.529 3.200 15.067 1.00 4.00 O +ATOM 326 NE2 GLN D 182 -57.746 3.607 14.982 1.00 4.14 N +ATOM 327 N ILE D 183 -55.096 -1.361 11.878 1.00 4.01 N +ATOM 328 CA ILE D 183 -55.145 -1.669 10.446 1.00 3.99 C +ATOM 329 C ILE D 183 -55.659 -3.093 10.232 1.00 3.96 C +ATOM 330 O ILE D 183 -56.622 -3.312 9.495 1.00 3.96 O +ATOM 331 CB ILE D 183 -53.752 -1.551 9.791 1.00 4.09 C +ATOM 332 CG1 ILE D 183 -53.230 -0.113 9.859 1.00 4.28 C +ATOM 333 CG2 ILE D 183 -53.798 -2.028 8.340 1.00 4.32 C +ATOM 334 CD1 ILE D 183 -53.893 0.824 8.892 1.00 4.80 C +ATOM 335 N ASN D 184 -55.013 -4.051 10.892 1.00 3.92 N +ATOM 336 CA ASN D 184 -55.351 -5.470 10.743 1.00 3.96 C +ATOM 337 C ASN D 184 -56.787 -5.811 11.168 1.00 3.78 C +ATOM 338 O ASN D 184 -57.377 -6.754 10.642 1.00 3.74 O +ATOM 339 CB ASN D 184 -54.351 -6.350 11.513 1.00 3.98 C +ATOM 340 CG ASN D 184 -52.962 -6.367 10.876 1.00 4.66 C +ATOM 341 OD1 ASN D 184 -52.782 -5.978 9.717 1.00 5.45 O +ATOM 342 ND2 ASN D 184 -51.971 -6.830 11.637 1.00 5.36 N +ATOM 343 N THR D 185 -57.337 -5.048 12.113 1.00 3.67 N +ATOM 344 CA THR D 185 -58.728 -5.225 12.549 1.00 3.55 C +ATOM 345 C THR D 185 -59.698 -4.877 11.419 1.00 3.55 C +ATOM 346 O THR D 185 -60.606 -5.650 11.114 1.00 3.50 O +ATOM 347 CB THR D 185 -59.059 -4.363 13.792 1.00 3.53 C +ATOM 348 OG1 THR D 185 -58.231 -4.762 14.891 1.00 3.22 O +ATOM 349 CG2 THR D 185 -60.530 -4.517 14.194 1.00 3.42 C +ATOM 350 N VAL D 186 -59.488 -3.716 10.801 1.00 3.53 N +ATOM 351 CA VAL D 186 -60.302 -3.268 9.666 1.00 3.42 C +ATOM 352 C VAL D 186 -60.168 -4.214 8.467 1.00 3.47 C +ATOM 353 O VAL D 186 -61.149 -4.473 7.765 1.00 3.52 O +ATOM 354 CB VAL D 186 -59.936 -1.823 9.247 1.00 3.40 C +ATOM 355 CG1 VAL D 186 -60.592 -1.448 7.923 1.00 3.09 C +ATOM 356 CG2 VAL D 186 -60.337 -0.843 10.338 1.00 3.25 C +ATOM 357 N CYS D 187 -58.961 -4.731 8.241 1.00 3.47 N +ATOM 358 CA CYS D 187 -58.737 -5.735 7.196 1.00 3.46 C +ATOM 359 C CYS D 187 -59.576 -7.001 7.447 1.00 3.61 C +ATOM 360 O CYS D 187 -60.130 -7.578 6.511 1.00 3.65 O +ATOM 361 CB CYS D 187 -57.247 -6.088 7.088 1.00 3.49 C +ATOM 362 SG CYS D 187 -56.201 -4.770 6.391 1.00 2.87 S +ATOM 363 N ASP D 188 -59.681 -7.417 8.709 1.00 3.66 N +ATOM 364 CA ASP D 188 -60.515 -8.570 9.080 1.00 3.71 C +ATOM 365 C ASP D 188 -62.011 -8.275 8.937 1.00 3.67 C +ATOM 366 O ASP D 188 -62.777 -9.134 8.502 1.00 3.67 O +ATOM 367 CB ASP D 188 -60.205 -9.033 10.511 1.00 3.72 C +ATOM 368 CG ASP D 188 -58.917 -9.842 10.604 1.00 3.91 C +ATOM 369 OD1 ASP D 188 -58.712 -10.513 11.639 1.00 4.01 O +ATOM 370 OD2 ASP D 188 -58.111 -9.817 9.647 1.00 3.96 O +ATOM 371 N GLU D 189 -62.415 -7.062 9.309 1.00 3.67 N +ATOM 372 CA AGLU D 189 -63.810 -6.636 9.199 0.50 3.67 C +ATOM 373 CA BGLU D 189 -63.811 -6.634 9.195 0.50 3.65 C +ATOM 374 C GLU D 189 -64.239 -6.535 7.732 1.00 3.69 C +ATOM 375 O GLU D 189 -65.340 -6.943 7.373 1.00 3.65 O +ATOM 376 CB AGLU D 189 -64.012 -5.289 9.903 0.50 3.68 C +ATOM 377 CB BGLU D 189 -64.022 -5.283 9.887 0.50 3.63 C +ATOM 378 CG AGLU D 189 -65.455 -4.980 10.270 0.50 3.68 C +ATOM 379 CG BGLU D 189 -63.930 -5.337 11.403 0.50 3.54 C +ATOM 380 CD AGLU D 189 -65.969 -5.845 11.409 0.50 3.74 C +ATOM 381 CD BGLU D 189 -63.940 -3.960 12.037 0.50 3.36 C +ATOM 382 OE1AGLU D 189 -65.186 -6.659 11.943 0.50 3.76 O +ATOM 383 OE1BGLU D 189 -64.058 -2.962 11.294 0.50 3.15 O +ATOM 384 OE2AGLU D 189 -67.157 -5.707 11.770 0.50 3.56 O +ATOM 385 OE2BGLU D 189 -63.831 -3.874 13.279 0.50 3.13 O +ATOM 386 N LEU D 190 -63.356 -5.993 6.893 1.00 3.80 N +ATOM 387 CA LEU D 190 -63.617 -5.830 5.455 1.00 3.85 C +ATOM 388 C LEU D 190 -63.216 -7.052 4.608 1.00 3.85 C +ATOM 389 O LEU D 190 -63.287 -7.004 3.377 1.00 3.80 O +ATOM 390 CB LEU D 190 -62.876 -4.590 4.929 1.00 3.96 C +ATOM 391 CG LEU D 190 -63.285 -3.227 5.498 1.00 4.03 C +ATOM 392 CD1 LEU D 190 -62.372 -2.138 4.948 1.00 4.01 C +ATOM 393 CD2 LEU D 190 -64.737 -2.915 5.185 1.00 4.03 C +ATOM 394 N TYR D 191 -62.788 -8.131 5.263 1.00 3.85 N +ATOM 395 CA TYR D 191 -62.356 -9.361 4.583 1.00 3.83 C +ATOM 396 C TYR D 191 -61.180 -9.141 3.619 1.00 3.86 C +ATOM 397 O TYR D 191 -61.097 -9.783 2.572 1.00 3.88 O +ATOM 398 CB TYR D 191 -63.534 -10.025 3.855 1.00 3.87 C +ATOM 399 CG TYR D 191 -64.698 -10.358 4.760 1.00 3.82 C +ATOM 400 CD1 TYR D 191 -64.684 -11.507 5.546 1.00 3.87 C +ATOM 401 CD2 TYR D 191 -65.814 -9.527 4.831 1.00 3.92 C +ATOM 402 CE1 TYR D 191 -65.752 -11.821 6.379 1.00 4.01 C +ATOM 403 CE2 TYR D 191 -66.887 -9.833 5.662 1.00 3.77 C +ATOM 404 CZ TYR D 191 -66.847 -10.981 6.433 1.00 3.87 C +ATOM 405 OH TYR D 191 -67.902 -11.294 7.258 1.00 4.47 O +ATOM 406 N ILE D 192 -60.271 -8.240 3.986 1.00 3.88 N +ATOM 407 CA ILE D 192 -59.064 -7.991 3.201 1.00 3.91 C +ATOM 408 C ILE D 192 -57.979 -8.988 3.599 1.00 3.95 C +ATOM 409 O ILE D 192 -57.572 -9.035 4.761 1.00 3.90 O +ATOM 410 CB ILE D 192 -58.519 -6.561 3.413 1.00 3.95 C +ATOM 411 CG1 ILE D 192 -59.581 -5.517 3.059 1.00 3.96 C +ATOM 412 CG2 ILE D 192 -57.261 -6.334 2.572 1.00 3.64 C +ATOM 413 CD1 ILE D 192 -59.100 -4.081 3.219 1.00 4.04 C +ATOM 414 N TYR D 193 -57.525 -9.783 2.630 1.00 3.98 N +ATOM 415 CA TYR D 193 -56.435 -10.737 2.839 1.00 4.06 C +ATOM 416 C TYR D 193 -55.268 -10.402 1.907 1.00 4.11 C +ATOM 417 O TYR D 193 -55.329 -10.641 0.698 1.00 4.12 O +ATOM 418 CB TYR D 193 -56.919 -12.172 2.610 1.00 4.09 C +ATOM 419 CG TYR D 193 -58.082 -12.573 3.503 1.00 4.36 C +ATOM 420 CD1 TYR D 193 -57.930 -12.650 4.888 1.00 4.48 C +ATOM 421 CD2 TYR D 193 -59.330 -12.881 2.962 1.00 4.29 C +ATOM 422 CE1 TYR D 193 -58.993 -13.017 5.711 1.00 4.41 C +ATOM 423 CE2 TYR D 193 -60.394 -13.250 3.774 1.00 4.43 C +ATOM 424 CZ TYR D 193 -60.221 -13.315 5.147 1.00 4.52 C +ATOM 425 OH TYR D 193 -61.278 -13.679 5.950 1.00 4.82 O +ATOM 426 N CYS D 194 -54.211 -9.833 2.480 1.00 4.16 N +ATOM 427 CA CYS D 194 -53.036 -9.423 1.711 1.00 4.28 C +ATOM 428 C CYS D 194 -52.214 -10.629 1.278 1.00 4.06 C +ATOM 429 O CYS D 194 -52.014 -11.563 2.054 1.00 4.05 O +ATOM 430 CB CYS D 194 -52.172 -8.470 2.537 1.00 4.27 C +ATOM 431 SG CYS D 194 -53.086 -7.018 3.121 1.00 5.48 S +ATOM 432 N SER D 195 -51.747 -10.600 0.034 1.00 3.97 N +ATOM 433 CA SER D 195 -50.925 -11.680 -0.512 1.00 3.94 C +ATOM 434 C SER D 195 -49.442 -11.428 -0.237 1.00 3.86 C +ATOM 435 O SER D 195 -49.065 -10.406 0.342 1.00 3.76 O +ATOM 436 CB SER D 195 -51.166 -11.839 -2.019 1.00 3.95 C +ATOM 437 OG SER D 195 -50.501 -10.834 -2.767 1.00 3.97 O +ATOM 438 N ARG D 196 -48.614 -12.373 -0.664 0.70 3.80 N +ATOM 439 CA ARG D 196 -47.178 -12.309 -0.451 0.70 3.77 C +ATOM 440 C ARG D 196 -46.474 -12.156 -1.795 0.70 3.72 C +ATOM 441 O ARG D 196 -46.862 -12.791 -2.776 0.70 3.65 O +ATOM 442 CB ARG D 196 -46.715 -13.585 0.251 0.70 3.77 C +ATOM 443 CG ARG D 196 -45.333 -13.498 0.877 0.70 4.06 C +ATOM 444 CD ARG D 196 -44.988 -14.773 1.647 0.70 4.20 C +ATOM 445 NE ARG D 196 -45.842 -14.963 2.822 0.70 4.24 N +ATOM 446 CZ ARG D 196 -45.767 -15.996 3.662 0.70 4.11 C +ATOM 447 NH1 ARG D 196 -44.872 -16.963 3.474 0.70 3.95 N +ATOM 448 NH2 ARG D 196 -46.597 -16.063 4.699 0.70 3.95 N +ATOM 449 N CYS D 197 -45.455 -11.300 -1.837 1.00 3.69 N +ATOM 450 CA CYS D 197 -44.580 -11.185 -3.009 1.00 3.78 C +ATOM 451 C CYS D 197 -43.925 -12.524 -3.316 1.00 3.62 C +ATOM 452 O CYS D 197 -43.619 -13.289 -2.404 1.00 3.70 O +ATOM 453 CB CYS D 197 -43.465 -10.152 -2.773 1.00 3.80 C +ATOM 454 SG CYS D 197 -43.873 -8.447 -3.205 1.00 4.26 S +ATOM 455 N THR D 198 -43.703 -12.800 -4.596 1.00 3.52 N +ATOM 456 CA THR D 198 -42.903 -13.957 -4.996 1.00 3.53 C +ATOM 457 C THR D 198 -41.420 -13.622 -4.843 1.00 3.52 C +ATOM 458 O THR D 198 -41.052 -12.465 -4.613 1.00 3.45 O +ATOM 459 CB THR D 198 -43.172 -14.373 -6.458 1.00 3.52 C +ATOM 460 OG1 THR D 198 -42.768 -13.322 -7.344 1.00 3.49 O +ATOM 461 CG2 THR D 198 -44.647 -14.682 -6.671 1.00 3.40 C +ATOM 462 N SER D 199 -40.573 -14.638 -4.980 1.00 3.53 N +ATOM 463 CA SER D 199 -39.122 -14.451 -4.933 1.00 3.55 C +ATOM 464 C SER D 199 -38.676 -13.357 -5.907 1.00 3.54 C +ATOM 465 O SER D 199 -37.918 -12.459 -5.541 1.00 3.55 O +ATOM 466 CB SER D 199 -38.407 -15.764 -5.260 1.00 3.55 C +ATOM 467 OG SER D 199 -36.999 -15.622 -5.159 1.00 3.69 O +ATOM 468 N ASP D 200 -39.174 -13.435 -7.139 1.00 3.55 N +ATOM 469 CA ASP D 200 -38.836 -12.472 -8.192 1.00 3.60 C +ATOM 470 C ASP D 200 -39.326 -11.058 -7.891 1.00 3.53 C +ATOM 471 O ASP D 200 -38.644 -10.081 -8.197 1.00 3.44 O +ATOM 472 CB ASP D 200 -39.411 -12.935 -9.534 1.00 3.66 C +ATOM 473 CG ASP D 200 -38.737 -14.191 -10.054 1.00 4.02 C +ATOM 474 OD1 ASP D 200 -38.437 -15.091 -9.239 1.00 4.62 O +ATOM 475 OD2 ASP D 200 -38.504 -14.280 -11.280 1.00 4.57 O +ATOM 476 N GLN D 201 -40.509 -10.955 -7.296 1.00 3.53 N +ATOM 477 CA GLN D 201 -41.094 -9.655 -6.970 1.00 3.58 C +ATOM 478 C GLN D 201 -40.386 -8.981 -5.796 1.00 3.55 C +ATOM 479 O GLN D 201 -40.176 -7.770 -5.808 1.00 3.54 O +ATOM 480 CB GLN D 201 -42.585 -9.802 -6.676 1.00 3.66 C +ATOM 481 CG GLN D 201 -43.410 -10.146 -7.903 1.00 3.54 C +ATOM 482 CD GLN D 201 -44.867 -10.405 -7.577 1.00 3.66 C +ATOM 483 OE1 GLN D 201 -45.202 -10.842 -6.476 1.00 4.15 O +ATOM 484 NE2 GLN D 201 -45.743 -10.139 -8.538 1.00 3.42 N +ATOM 485 N LEU D 202 -40.020 -9.766 -4.787 1.00 3.56 N +ATOM 486 CA LEU D 202 -39.265 -9.248 -3.646 1.00 3.54 C +ATOM 487 C LEU D 202 -37.924 -8.679 -4.085 1.00 3.58 C +ATOM 488 O LEU D 202 -37.513 -7.620 -3.614 1.00 3.48 O +ATOM 489 CB LEU D 202 -39.030 -10.350 -2.609 1.00 3.68 C +ATOM 490 CG LEU D 202 -38.077 -10.039 -1.445 1.00 3.70 C +ATOM 491 CD1 LEU D 202 -38.629 -8.926 -0.569 1.00 3.86 C +ATOM 492 CD2 LEU D 202 -37.838 -11.288 -0.625 1.00 3.85 C +ATOM 493 N HIS D 203 -37.249 -9.394 -4.983 1.00 3.62 N +ATOM 494 CA HIS D 203 -35.888 -9.045 -5.395 1.00 3.64 C +ATOM 495 C HIS D 203 -35.839 -7.825 -6.317 1.00 3.70 C +ATOM 496 O HIS D 203 -34.903 -7.023 -6.239 1.00 3.96 O +ATOM 497 CB HIS D 203 -35.217 -10.238 -6.082 1.00 3.57 C +ATOM 498 CG HIS D 203 -33.818 -9.961 -6.541 1.00 3.79 C +ATOM 499 ND1 HIS D 203 -32.713 -10.180 -5.744 1.00 3.71 N +ATOM 500 CD2 HIS D 203 -33.345 -9.478 -7.714 1.00 3.95 C +ATOM 501 CE1 HIS D 203 -31.621 -9.846 -6.408 1.00 3.49 C +ATOM 502 NE2 HIS D 203 -31.976 -9.417 -7.605 1.00 3.72 N +ATOM 503 N ILE D 204 -36.820 -7.701 -7.206 1.00 3.58 N +ATOM 504 CA ILE D 204 -36.865 -6.572 -8.139 1.00 3.53 C +ATOM 505 C ILE D 204 -37.128 -5.278 -7.366 1.00 3.44 C +ATOM 506 O ILE D 204 -36.571 -4.230 -7.693 1.00 3.35 O +ATOM 507 CB ILE D 204 -37.918 -6.789 -9.276 1.00 3.62 C +ATOM 508 CG1 ILE D 204 -37.797 -5.711 -10.358 1.00 3.67 C +ATOM 509 CG2 ILE D 204 -39.340 -6.817 -8.722 1.00 3.59 C +ATOM 510 CD1 ILE D 204 -36.457 -5.699 -11.072 1.00 3.99 C +ATOM 511 N LEU D 205 -37.963 -5.371 -6.332 1.00 3.39 N +ATOM 512 CA LEU D 205 -38.239 -4.244 -5.440 1.00 3.33 C +ATOM 513 C LEU D 205 -36.978 -3.761 -4.729 1.00 3.38 C +ATOM 514 O LEU D 205 -36.826 -2.563 -4.473 1.00 3.41 O +ATOM 515 CB LEU D 205 -39.307 -4.622 -4.404 1.00 3.30 C +ATOM 516 CG LEU D 205 -40.755 -4.572 -4.901 1.00 3.14 C +ATOM 517 CD1 LEU D 205 -41.688 -5.324 -3.962 1.00 3.13 C +ATOM 518 CD2 LEU D 205 -41.209 -3.134 -5.073 1.00 2.60 C +ATOM 519 N LYS D 206 -36.086 -4.698 -4.406 1.00 3.28 N +ATOM 520 CA LYS D 206 -34.802 -4.367 -3.801 1.00 3.22 C +ATOM 521 C LYS D 206 -33.887 -3.705 -4.826 1.00 3.25 C +ATOM 522 O LYS D 206 -33.325 -2.640 -4.569 1.00 3.16 O +ATOM 523 CB LYS D 206 -34.127 -5.622 -3.236 1.00 3.24 C +ATOM 524 CG LYS D 206 -34.811 -6.207 -2.014 1.00 3.07 C +ATOM 525 CD LYS D 206 -34.283 -7.598 -1.693 1.00 2.82 C +ATOM 526 CE LYS D 206 -34.774 -8.078 -0.339 1.00 2.80 C +ATOM 527 NZ LYS D 206 -34.137 -9.357 0.076 1.00 2.45 N +ATOM 528 N VAL D 207 -33.751 -4.340 -5.989 1.00 3.33 N +ATOM 529 CA VAL D 207 -32.880 -3.838 -7.059 1.00 3.36 C +ATOM 530 C VAL D 207 -33.280 -2.436 -7.514 1.00 3.37 C +ATOM 531 O VAL D 207 -32.420 -1.598 -7.759 1.00 3.33 O +ATOM 532 CB VAL D 207 -32.877 -4.779 -8.287 1.00 3.35 C +ATOM 533 CG1 VAL D 207 -32.069 -4.176 -9.422 1.00 3.32 C +ATOM 534 CG2 VAL D 207 -32.323 -6.141 -7.917 1.00 3.39 C +ATOM 535 N LEU D 208 -34.584 -2.182 -7.618 1.00 3.48 N +ATOM 536 CA LEU D 208 -35.074 -0.862 -8.033 1.00 3.50 C +ATOM 537 C LEU D 208 -35.167 0.149 -6.874 1.00 3.54 C +ATOM 538 O LEU D 208 -35.651 1.269 -7.055 1.00 3.60 O +ATOM 539 CB LEU D 208 -36.408 -0.995 -8.775 1.00 3.46 C +ATOM 540 CG LEU D 208 -36.351 -1.879 -10.030 1.00 3.41 C +ATOM 541 CD1 LEU D 208 -37.659 -1.808 -10.792 1.00 3.13 C +ATOM 542 CD2 LEU D 208 -35.188 -1.506 -10.948 1.00 3.37 C +ATOM 543 N GLY D 209 -34.694 -0.248 -5.695 1.00 3.56 N +ATOM 544 CA GLY D 209 -34.425 0.688 -4.605 1.00 3.52 C +ATOM 545 C GLY D 209 -35.571 0.983 -3.659 1.00 3.52 C +ATOM 546 O GLY D 209 -35.450 1.868 -2.816 1.00 3.30 O +ATOM 547 N ILE D 210 -36.673 0.244 -3.783 1.00 3.63 N +ATOM 548 CA ILE D 210 -37.873 0.488 -2.969 1.00 3.72 C +ATOM 549 C ILE D 210 -37.786 -0.168 -1.591 1.00 3.79 C +ATOM 550 O ILE D 210 -38.151 0.447 -0.585 1.00 3.89 O +ATOM 551 CB ILE D 210 -39.149 -0.011 -3.665 1.00 3.70 C +ATOM 552 CG1 ILE D 210 -39.321 0.673 -5.024 1.00 3.88 C +ATOM 553 CG2 ILE D 210 -40.368 0.253 -2.788 1.00 3.75 C +ATOM 554 CD1 ILE D 210 -39.447 2.184 -4.941 1.00 4.08 C +ATOM 555 N LEU D 211 -37.321 -1.415 -1.555 1.00 3.80 N +ATOM 556 CA LEU D 211 -37.117 -2.138 -0.298 1.00 3.73 C +ATOM 557 C LEU D 211 -35.633 -2.306 0.005 1.00 3.64 C +ATOM 558 O LEU D 211 -34.815 -2.350 -0.910 1.00 3.67 O +ATOM 559 CB LEU D 211 -37.768 -3.521 -0.358 1.00 3.73 C +ATOM 560 CG LEU D 211 -39.296 -3.595 -0.362 1.00 3.66 C +ATOM 561 CD1 LEU D 211 -39.729 -5.053 -0.330 1.00 3.29 C +ATOM 562 CD2 LEU D 211 -39.897 -2.832 0.806 1.00 3.26 C +ATOM 563 N PRO D 212 -35.282 -2.411 1.298 1.00 3.67 N +ATOM 564 CA PRO D 212 -33.911 -2.728 1.689 1.00 3.59 C +ATOM 565 C PRO D 212 -33.587 -4.184 1.397 1.00 3.61 C +ATOM 566 O PRO D 212 -34.469 -5.036 1.486 1.00 3.61 O +ATOM 567 CB PRO D 212 -33.907 -2.470 3.196 1.00 3.60 C +ATOM 568 CG PRO D 212 -35.301 -2.638 3.624 1.00 3.56 C +ATOM 569 CD PRO D 212 -36.161 -2.235 2.468 1.00 3.68 C +ATOM 570 N PHE D 213 -32.328 -4.463 1.070 1.00 3.71 N +ATOM 571 CA PHE D 213 -31.919 -5.800 0.617 1.00 3.71 C +ATOM 572 C PHE D 213 -32.043 -6.920 1.660 1.00 3.82 C +ATOM 573 O PHE D 213 -32.024 -8.094 1.289 1.00 4.06 O +ATOM 574 CB PHE D 213 -30.498 -5.770 0.037 1.00 3.67 C +ATOM 575 CG PHE D 213 -30.453 -5.505 -1.444 1.00 3.50 C +ATOM 576 CD1 PHE D 213 -30.693 -4.233 -1.944 1.00 3.35 C +ATOM 577 CD2 PHE D 213 -30.174 -6.529 -2.339 1.00 3.52 C +ATOM 578 CE1 PHE D 213 -30.653 -3.984 -3.309 1.00 3.27 C +ATOM 579 CE2 PHE D 213 -30.133 -6.290 -3.709 1.00 3.45 C +ATOM 580 CZ PHE D 213 -30.373 -5.014 -4.193 1.00 3.36 C +ATOM 581 N ASN D 214 -32.174 -6.576 2.941 1.00 3.81 N +ATOM 582 CA ASN D 214 -32.374 -7.590 3.987 1.00 3.81 C +ATOM 583 C ASN D 214 -33.821 -8.068 4.098 1.00 3.90 C +ATOM 584 O ASN D 214 -34.084 -9.095 4.725 1.00 3.99 O +ATOM 585 CB ASN D 214 -31.908 -7.073 5.353 1.00 3.76 C +ATOM 586 CG ASN D 214 -30.402 -6.900 5.431 1.00 3.60 C +ATOM 587 OD1 ASN D 214 -29.669 -7.301 4.528 1.00 3.76 O +ATOM 588 ND2 ASN D 214 -29.935 -6.300 6.516 1.00 3.07 N +ATOM 589 N ALA D 215 -34.747 -7.324 3.494 1.00 3.89 N +ATOM 590 CA ALA D 215 -36.177 -7.638 3.551 1.00 3.87 C +ATOM 591 C ALA D 215 -36.446 -9.096 3.184 1.00 3.88 C +ATOM 592 O ALA D 215 -36.202 -9.498 2.047 1.00 3.91 O +ATOM 593 CB ALA D 215 -36.956 -6.718 2.622 1.00 3.83 C +ATOM 594 N PRO D 216 -36.947 -9.894 4.146 1.00 3.92 N +ATOM 595 CA PRO D 216 -37.190 -11.317 3.893 1.00 3.90 C +ATOM 596 C PRO D 216 -38.441 -11.575 3.054 1.00 3.77 C +ATOM 597 O PRO D 216 -38.444 -12.476 2.213 1.00 3.59 O +ATOM 598 CB PRO D 216 -37.354 -11.896 5.301 1.00 3.91 C +ATOM 599 CG PRO D 216 -37.894 -10.770 6.106 1.00 3.93 C +ATOM 600 CD PRO D 216 -37.310 -9.512 5.525 1.00 3.91 C +ATOM 601 N SER D 217 -39.485 -10.789 3.293 1.00 3.77 N +ATOM 602 CA SER D 217 -40.738 -10.899 2.551 1.00 3.75 C +ATOM 603 C SER D 217 -41.351 -9.521 2.360 1.00 3.78 C +ATOM 604 O SER D 217 -40.877 -8.537 2.929 1.00 3.72 O +ATOM 605 CB SER D 217 -41.719 -11.792 3.301 1.00 3.75 C +ATOM 606 OG SER D 217 -42.136 -11.177 4.510 1.00 3.70 O +ATOM 607 N CYS D 218 -42.409 -9.457 1.559 1.00 3.88 N +ATOM 608 CA CYS D 218 -43.116 -8.202 1.325 1.00 3.94 C +ATOM 609 C CYS D 218 -44.583 -8.446 1.000 1.00 3.93 C +ATOM 610 O CYS D 218 -44.909 -9.241 0.117 1.00 4.02 O +ATOM 611 CB CYS D 218 -42.456 -7.424 0.190 1.00 3.92 C +ATOM 612 SG CYS D 218 -43.162 -5.786 -0.067 1.00 4.42 S +ATOM 613 N GLY D 219 -45.461 -7.757 1.722 1.00 3.90 N +ATOM 614 CA GLY D 219 -46.898 -7.896 1.535 1.00 3.83 C +ATOM 615 C GLY D 219 -47.389 -7.149 0.311 1.00 3.82 C +ATOM 616 O GLY D 219 -46.730 -6.222 -0.167 1.00 3.88 O +ATOM 617 N LEU D 220 -48.551 -7.561 -0.191 1.00 3.72 N +ATOM 618 CA LEU D 220 -49.183 -6.924 -1.343 1.00 3.60 C +ATOM 619 C LEU D 220 -50.676 -6.788 -1.095 1.00 3.57 C +ATOM 620 O LEU D 220 -51.320 -7.735 -0.650 1.00 3.60 O +ATOM 621 CB LEU D 220 -48.949 -7.740 -2.619 1.00 3.53 C +ATOM 622 CG LEU D 220 -47.564 -7.671 -3.268 1.00 3.39 C +ATOM 623 CD1 LEU D 220 -47.499 -8.631 -4.443 1.00 3.21 C +ATOM 624 CD2 LEU D 220 -47.224 -6.255 -3.714 1.00 3.05 C +ATOM 625 N ILE D 221 -51.211 -5.606 -1.389 1.00 3.55 N +ATOM 626 CA ILE D 221 -52.640 -5.318 -1.241 1.00 3.54 C +ATOM 627 C ILE D 221 -53.176 -4.735 -2.552 1.00 3.52 C +ATOM 628 O ILE D 221 -52.503 -3.937 -3.204 1.00 3.52 O +ATOM 629 CB ILE D 221 -52.896 -4.336 -0.066 1.00 3.52 C +ATOM 630 CG1 ILE D 221 -54.395 -4.195 0.214 1.00 3.59 C +ATOM 631 CG2 ILE D 221 -52.283 -2.970 -0.346 1.00 3.49 C +ATOM 632 CD1 ILE D 221 -54.716 -3.339 1.432 1.00 3.41 C +ATOM 633 N THR D 222 -54.380 -5.140 -2.942 1.00 3.46 N +ATOM 634 CA THR D 222 -54.972 -4.652 -4.189 1.00 3.49 C +ATOM 635 C THR D 222 -55.365 -3.181 -4.051 1.00 3.50 C +ATOM 636 O THR D 222 -55.717 -2.727 -2.959 1.00 3.51 O +ATOM 637 CB THR D 222 -56.206 -5.480 -4.615 1.00 3.54 C +ATOM 638 OG1 THR D 222 -57.262 -5.312 -3.661 1.00 3.52 O +ATOM 639 CG2 THR D 222 -55.849 -6.960 -4.734 1.00 3.37 C +ATOM 640 N LEU D 223 -55.289 -2.441 -5.155 1.00 3.50 N +ATOM 641 CA LEU D 223 -55.645 -1.019 -5.160 1.00 3.56 C +ATOM 642 C LEU D 223 -57.067 -0.808 -4.647 1.00 3.53 C +ATOM 643 O LEU D 223 -57.320 0.130 -3.895 1.00 3.63 O +ATOM 644 CB LEU D 223 -55.501 -0.413 -6.564 1.00 3.55 C +ATOM 645 CG LEU D 223 -55.973 1.040 -6.741 1.00 3.49 C +ATOM 646 CD1 LEU D 223 -55.269 1.970 -5.755 1.00 3.11 C +ATOM 647 CD2 LEU D 223 -55.768 1.516 -8.176 1.00 2.80 C +ATOM 648 N THR D 224 -57.984 -1.683 -5.053 1.00 3.48 N +ATOM 649 CA THR D 224 -59.373 -1.620 -4.585 1.00 3.51 C +ATOM 650 C THR D 224 -59.452 -1.788 -3.067 1.00 3.57 C +ATOM 651 O THR D 224 -60.103 -0.994 -2.383 1.00 3.63 O +ATOM 652 CB THR D 224 -60.263 -2.693 -5.266 1.00 3.43 C +ATOM 653 OG1 THR D 224 -60.267 -2.489 -6.684 1.00 3.34 O +ATOM 654 CG2 THR D 224 -61.696 -2.622 -4.747 1.00 3.45 C +ATOM 655 N ASP D 225 -58.790 -2.819 -2.546 1.00 3.62 N +ATOM 656 CA ASP D 225 -58.790 -3.077 -1.106 1.00 3.64 C +ATOM 657 C ASP D 225 -58.036 -1.975 -0.364 1.00 3.65 C +ATOM 658 O ASP D 225 -58.488 -1.514 0.688 1.00 3.63 O +ATOM 659 CB ASP D 225 -58.201 -4.458 -0.789 1.00 3.75 C +ATOM 660 CG ASP D 225 -59.096 -5.605 -1.260 1.00 3.77 C +ATOM 661 OD1 ASP D 225 -60.099 -5.339 -1.953 1.00 4.74 O +ATOM 662 OD2 ASP D 225 -58.795 -6.776 -0.945 1.00 3.48 O +ATOM 663 N ALA D 226 -56.903 -1.547 -0.923 1.00 3.61 N +ATOM 664 CA ALA D 226 -56.155 -0.405 -0.388 1.00 3.55 C +ATOM 665 C ALA D 226 -57.067 0.809 -0.201 1.00 3.57 C +ATOM 666 O ALA D 226 -57.080 1.435 0.861 1.00 3.49 O +ATOM 667 CB ALA D 226 -55.008 -0.048 -1.305 1.00 3.50 C +ATOM 668 N GLN D 227 -57.833 1.124 -1.240 1.00 3.54 N +ATOM 669 CA GLN D 227 -58.740 2.270 -1.208 1.00 3.59 C +ATOM 670 C GLN D 227 -59.861 2.077 -0.179 1.00 3.55 C +ATOM 671 O GLN D 227 -60.190 3.011 0.548 1.00 3.44 O +ATOM 672 CB GLN D 227 -59.289 2.571 -2.613 1.00 3.51 C +ATOM 673 CG GLN D 227 -58.289 3.362 -3.472 1.00 3.59 C +ATOM 674 CD GLN D 227 -58.577 3.337 -4.971 1.00 3.62 C +ATOM 675 OE1 GLN D 227 -59.449 2.608 -5.448 1.00 4.06 O +ATOM 676 NE2 GLN D 227 -57.827 4.135 -5.720 1.00 3.10 N +ATOM 677 N ARG D 228 -60.417 0.868 -0.101 1.00 3.64 N +ATOM 678 CA ARG D 228 -61.426 0.537 0.918 1.00 3.69 C +ATOM 679 C ARG D 228 -60.865 0.705 2.320 1.00 3.69 C +ATOM 680 O ARG D 228 -61.507 1.302 3.182 1.00 3.63 O +ATOM 681 CB ARG D 228 -61.918 -0.902 0.763 1.00 3.72 C +ATOM 682 CG ARG D 228 -62.825 -1.137 -0.428 1.00 3.93 C +ATOM 683 CD ARG D 228 -62.901 -2.619 -0.756 1.00 4.04 C +ATOM 684 NE ARG D 228 -63.551 -3.388 0.307 1.00 4.02 N +ATOM 685 CZ ARG D 228 -63.316 -4.674 0.571 1.00 4.21 C +ATOM 686 NH1 ARG D 228 -62.422 -5.375 -0.134 1.00 4.23 N +ATOM 687 NH2 ARG D 228 -63.970 -5.266 1.561 1.00 3.91 N +ATOM 688 N LEU D 229 -59.668 0.160 2.539 1.00 3.73 N +ATOM 689 CA LEU D 229 -58.982 0.268 3.826 1.00 3.72 C +ATOM 690 C LEU D 229 -58.827 1.731 4.236 1.00 3.78 C +ATOM 691 O LEU D 229 -59.188 2.107 5.352 1.00 3.81 O +ATOM 692 CB LEU D 229 -57.611 -0.415 3.760 1.00 3.74 C +ATOM 693 CG LEU D 229 -56.746 -0.389 5.025 1.00 3.62 C +ATOM 694 CD1 LEU D 229 -57.520 -0.901 6.231 1.00 3.25 C +ATOM 695 CD2 LEU D 229 -55.479 -1.202 4.806 1.00 2.88 C +ATOM 696 N CYS D 230 -58.306 2.549 3.323 1.00 3.83 N +ATOM 697 CA CYS D 230 -58.158 3.989 3.557 1.00 3.93 C +ATOM 698 C CYS D 230 -59.504 4.646 3.859 1.00 3.85 C +ATOM 699 O CYS D 230 -59.616 5.440 4.794 1.00 3.85 O +ATOM 700 CB CYS D 230 -57.516 4.673 2.350 1.00 3.97 C +ATOM 701 SG CYS D 230 -55.833 4.126 1.985 1.00 4.75 S +ATOM 702 N ASN D 231 -60.518 4.305 3.066 1.00 3.76 N +ATOM 703 CA ASN D 231 -61.882 4.795 3.292 1.00 3.68 C +ATOM 704 C ASN D 231 -62.345 4.526 4.727 1.00 3.69 C +ATOM 705 O ASN D 231 -62.937 5.392 5.367 1.00 3.67 O +ATOM 706 CB ASN D 231 -62.873 4.156 2.304 1.00 3.62 C +ATOM 707 CG ASN D 231 -62.658 4.607 0.855 1.00 3.33 C +ATOM 708 OD1 ASN D 231 -61.904 5.541 0.575 1.00 2.11 O +ATOM 709 ND2 ASN D 231 -63.336 3.935 -0.072 1.00 3.31 N +ATOM 710 N ALA D 232 -62.047 3.329 5.228 1.00 3.71 N +ATOM 711 CA ALA D 232 -62.459 2.915 6.573 1.00 3.68 C +ATOM 712 C ALA D 232 -61.706 3.647 7.687 1.00 3.71 C +ATOM 713 O ALA D 232 -62.295 3.984 8.716 1.00 3.71 O +ATOM 714 CB ALA D 232 -62.295 1.407 6.733 1.00 3.62 C +ATOM 715 N LEU D 233 -60.413 3.891 7.479 1.00 3.74 N +ATOM 716 CA LEU D 233 -59.562 4.502 8.505 1.00 3.73 C +ATOM 717 C LEU D 233 -59.566 6.028 8.442 1.00 3.74 C +ATOM 718 O LEU D 233 -59.723 6.693 9.467 1.00 3.77 O +ATOM 719 CB LEU D 233 -58.129 3.984 8.384 1.00 3.77 C +ATOM 720 CG LEU D 233 -57.930 2.505 8.726 1.00 3.80 C +ATOM 721 CD1 LEU D 233 -56.604 2.010 8.192 1.00 3.40 C +ATOM 722 CD2 LEU D 233 -58.026 2.281 10.230 1.00 4.07 C +ATOM 723 N LEU D 234 -59.390 6.576 7.242 1.00 3.74 N +ATOM 724 CA LEU D 234 -59.293 8.030 7.059 1.00 3.74 C +ATOM 725 C LEU D 234 -60.643 8.757 7.058 1.00 3.82 C +ATOM 726 O LEU D 234 -60.718 9.903 7.499 1.00 3.93 O +ATOM 727 CB LEU D 234 -58.528 8.360 5.775 1.00 3.75 C +ATOM 728 CG LEU D 234 -57.024 8.074 5.813 1.00 3.71 C +ATOM 729 CD1 LEU D 234 -56.452 8.046 4.411 1.00 3.92 C +ATOM 730 CD2 LEU D 234 -56.292 9.104 6.666 1.00 3.52 C +ATOM 731 N ARG D 235 -61.698 8.110 6.562 1.00 3.83 N +ATOM 732 CA ARG D 235 -63.031 8.737 6.485 1.00 3.85 C +ATOM 733 C ARG D 235 -64.144 7.788 6.941 1.00 3.85 C +ATOM 734 O ARG D 235 -64.948 7.337 6.123 1.00 3.79 O +ATOM 735 CB ARG D 235 -63.331 9.194 5.049 1.00 3.86 C +ATOM 736 CG ARG D 235 -62.395 10.255 4.479 1.00 3.84 C +ATOM 737 CD ARG D 235 -62.489 10.295 2.960 1.00 3.75 C +ATOM 738 NE ARG D 235 -61.985 9.055 2.362 1.00 3.86 N +ATOM 739 CZ ARG D 235 -60.702 8.787 2.110 1.00 3.31 C +ATOM 740 NH1 ARG D 235 -59.745 9.670 2.384 1.00 3.13 N +ATOM 741 NH2 ARG D 235 -60.373 7.619 1.574 1.00 3.17 N +ATOM 742 N PRO D 236 -64.203 7.480 8.249 1.00 3.87 N +ATOM 743 CA PRO D 236 -65.262 6.590 8.739 1.00 3.88 C +ATOM 744 C PRO D 236 -66.665 7.168 8.546 1.00 3.82 C +ATOM 745 O PRO D 236 -66.912 8.314 8.915 1.00 3.75 O +ATOM 746 CB PRO D 236 -64.944 6.445 10.235 1.00 3.89 C +ATOM 747 CG PRO D 236 -63.535 6.897 10.390 1.00 3.90 C +ATOM 748 CD PRO D 236 -63.305 7.915 9.332 1.00 3.83 C Added: SwiftApps/modFTdock/input/3eq5-5.pdb =================================================================== --- SwiftApps/modFTdock/input/3eq5-5.pdb (rev 0) +++ SwiftApps/modFTdock/input/3eq5-5.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,747 @@ +ATOM 1 N THR E 142 -57.346 -38.610 32.569 1.00 3.76 N +ATOM 2 CA THR E 142 -58.058 -37.307 32.713 1.00 3.79 C +ATOM 3 C THR E 142 -57.287 -36.193 32.009 1.00 3.80 C +ATOM 4 O THR E 142 -56.369 -35.600 32.581 1.00 3.76 O +ATOM 5 CB THR E 142 -58.254 -36.933 34.194 1.00 3.79 C +ATOM 6 OG1 THR E 142 -56.988 -36.945 34.867 1.00 3.81 O +ATOM 7 CG2 THR E 142 -59.203 -37.914 34.873 1.00 3.83 C +ATOM 8 N GLU E 143 -57.667 -35.919 30.763 1.00 3.83 N +ATOM 9 CA GLU E 143 -57.019 -34.884 29.964 1.00 3.85 C +ATOM 10 C GLU E 143 -57.712 -33.538 30.169 1.00 3.85 C +ATOM 11 O GLU E 143 -58.944 -33.454 30.194 1.00 3.83 O +ATOM 12 CB GLU E 143 -57.013 -35.272 28.478 1.00 3.88 C +ATOM 13 CG GLU E 143 -56.387 -34.231 27.527 1.00 3.97 C +ATOM 14 CD GLU E 143 -54.972 -33.813 27.917 1.00 3.98 C +ATOM 15 OE1 GLU E 143 -54.209 -34.662 28.428 1.00 4.05 O +ATOM 16 OE2 GLU E 143 -54.618 -32.633 27.702 1.00 3.91 O +ATOM 17 N LEU E 144 -56.901 -32.493 30.316 1.00 3.82 N +ATOM 18 CA LEU E 144 -57.394 -31.140 30.554 1.00 3.81 C +ATOM 19 C LEU E 144 -57.729 -30.442 29.239 1.00 3.81 C +ATOM 20 O LEU E 144 -56.922 -30.441 28.306 1.00 3.86 O +ATOM 21 CB LEU E 144 -56.349 -30.333 31.335 1.00 3.83 C +ATOM 22 CG LEU E 144 -56.609 -28.837 31.538 1.00 3.85 C +ATOM 23 CD1 LEU E 144 -56.003 -28.366 32.843 1.00 3.69 C +ATOM 24 CD2 LEU E 144 -56.064 -28.017 30.371 1.00 3.96 C +ATOM 25 N THR E 145 -58.920 -29.848 29.180 1.00 3.78 N +ATOM 26 CA THR E 145 -59.364 -29.065 28.023 1.00 3.75 C +ATOM 27 C THR E 145 -59.642 -27.623 28.472 1.00 3.76 C +ATOM 28 O THR E 145 -59.271 -27.242 29.583 1.00 3.78 O +ATOM 29 CB THR E 145 -60.615 -29.700 27.357 1.00 3.78 C +ATOM 30 OG1 THR E 145 -60.918 -29.014 26.134 1.00 3.67 O +ATOM 31 CG2 THR E 145 -61.824 -29.649 28.287 1.00 3.72 C +ATOM 32 N GLN E 146 -60.277 -26.825 27.614 1.00 3.77 N +ATOM 33 CA GLN E 146 -60.586 -25.426 27.941 1.00 3.77 C +ATOM 34 C GLN E 146 -61.916 -24.966 27.343 1.00 3.73 C +ATOM 35 O GLN E 146 -62.330 -25.449 26.289 1.00 3.72 O +ATOM 36 CB GLN E 146 -59.447 -24.503 27.488 1.00 3.80 C +ATOM 37 CG GLN E 146 -59.046 -24.642 26.023 1.00 3.85 C +ATOM 38 CD GLN E 146 -57.800 -23.834 25.672 1.00 4.29 C +ATOM 39 OE1 GLN E 146 -57.252 -23.107 26.507 1.00 4.22 O +ATOM 40 NE2 GLN E 146 -57.348 -23.961 24.427 1.00 4.43 N +ATOM 41 N THR E 147 -62.576 -24.033 28.028 1.00 3.70 N +ATOM 42 CA THR E 147 -63.905 -23.558 27.631 1.00 3.69 C +ATOM 43 C THR E 147 -64.132 -22.099 28.031 1.00 3.67 C +ATOM 44 O THR E 147 -63.658 -21.652 29.074 1.00 3.73 O +ATOM 45 CB THR E 147 -65.012 -24.431 28.255 1.00 3.76 C +ATOM 46 OG1 THR E 147 -66.301 -23.987 27.805 1.00 3.75 O +ATOM 47 CG2 THR E 147 -64.949 -24.376 29.778 1.00 3.74 C +ATOM 48 N VAL E 148 -64.875 -21.373 27.199 1.00 3.66 N +ATOM 49 CA VAL E 148 -65.063 -19.930 27.372 1.00 3.64 C +ATOM 50 C VAL E 148 -66.010 -19.600 28.527 1.00 3.63 C +ATOM 51 O VAL E 148 -67.033 -20.258 28.705 1.00 3.72 O +ATOM 52 CB VAL E 148 -65.604 -19.277 26.078 1.00 3.61 C +ATOM 53 CG1 VAL E 148 -65.938 -17.808 26.310 1.00 3.56 C +ATOM 54 CG2 VAL E 148 -64.596 -19.420 24.950 1.00 3.58 C +ATOM 55 N LEU E 149 -65.648 -18.582 29.305 1.00 3.60 N +ATOM 56 CA LEU E 149 -66.504 -18.044 30.364 1.00 3.56 C +ATOM 57 C LEU E 149 -66.307 -16.532 30.448 1.00 3.57 C +ATOM 58 O LEU E 149 -65.227 -16.071 30.810 1.00 3.54 O +ATOM 59 CB LEU E 149 -66.167 -18.685 31.715 1.00 3.53 C +ATOM 60 CG LEU E 149 -66.944 -18.168 32.934 1.00 3.43 C +ATOM 61 CD1 LEU E 149 -68.431 -18.467 32.798 1.00 3.36 C +ATOM 62 CD2 LEU E 149 -66.397 -18.769 34.216 1.00 3.25 C +ATOM 63 N GLU E 150 -67.348 -15.772 30.113 1.00 3.55 N +ATOM 64 CA GLU E 150 -67.296 -14.304 30.136 1.00 3.55 C +ATOM 65 C GLU E 150 -66.112 -13.763 29.326 1.00 3.54 C +ATOM 66 O GLU E 150 -65.388 -12.874 29.778 1.00 3.52 O +ATOM 67 CB GLU E 150 -67.243 -13.785 31.579 1.00 3.54 C +ATOM 68 CG GLU E 150 -68.502 -14.067 32.391 1.00 3.52 C +ATOM 69 CD GLU E 150 -69.642 -13.122 32.063 1.00 3.41 C +ATOM 70 OE1 GLU E 150 -69.417 -11.893 32.043 1.00 3.35 O +ATOM 71 OE2 GLU E 150 -70.769 -13.607 31.837 1.00 3.52 O +ATOM 72 N GLY E 151 -65.926 -14.315 28.130 1.00 3.57 N +ATOM 73 CA GLY E 151 -64.850 -13.897 27.228 1.00 3.57 C +ATOM 74 C GLY E 151 -63.458 -14.299 27.682 1.00 3.56 C +ATOM 75 O GLY E 151 -62.468 -13.702 27.261 1.00 3.59 O +ATOM 76 N GLU E 152 -63.384 -15.322 28.530 1.00 3.55 N +ATOM 77 CA GLU E 152 -62.124 -15.768 29.117 1.00 3.56 C +ATOM 78 C GLU E 152 -61.995 -17.280 28.957 1.00 3.50 C +ATOM 79 O GLU E 152 -62.931 -18.018 29.257 1.00 3.45 O +ATOM 80 CB GLU E 152 -62.087 -15.397 30.600 1.00 3.59 C +ATOM 81 CG GLU E 152 -60.735 -15.577 31.274 1.00 3.78 C +ATOM 82 CD GLU E 152 -59.872 -14.335 31.214 1.00 3.94 C +ATOM 83 OE1 GLU E 152 -59.181 -14.060 32.216 1.00 4.02 O +ATOM 84 OE2 GLU E 152 -59.886 -13.637 30.177 1.00 4.18 O +ATOM 85 N SER E 153 -60.832 -17.730 28.491 1.00 3.48 N +ATOM 86 CA SER E 153 -60.578 -19.154 28.271 1.00 3.47 C +ATOM 87 C SER E 153 -60.182 -19.861 29.569 1.00 3.48 C +ATOM 88 O SER E 153 -59.019 -19.828 29.977 1.00 3.43 O +ATOM 89 CB SER E 153 -59.486 -19.343 27.215 1.00 3.47 C +ATOM 90 OG SER E 153 -59.219 -20.718 26.999 1.00 3.49 O +ATOM 91 N ILE E 154 -61.156 -20.510 30.204 1.00 3.50 N +ATOM 92 CA ILE E 154 -60.936 -21.209 31.469 1.00 3.50 C +ATOM 93 C ILE E 154 -60.565 -22.670 31.225 1.00 3.48 C +ATOM 94 O ILE E 154 -61.215 -23.353 30.435 1.00 3.49 O +ATOM 95 CB ILE E 154 -62.194 -21.170 32.361 1.00 3.48 C +ATOM 96 CG1 ILE E 154 -62.636 -19.726 32.622 1.00 3.48 C +ATOM 97 CG2 ILE E 154 -61.932 -21.880 33.678 1.00 3.53 C +ATOM 98 CD1 ILE E 154 -61.605 -18.881 33.347 1.00 3.13 C +ATOM 99 N SER E 155 -59.521 -23.137 31.907 1.00 3.46 N +ATOM 100 CA SER E 155 -59.118 -24.544 31.856 1.00 3.43 C +ATOM 101 C SER E 155 -60.142 -25.396 32.600 1.00 3.42 C +ATOM 102 O SER E 155 -60.676 -24.974 33.628 1.00 3.37 O +ATOM 103 CB SER E 155 -57.731 -24.743 32.480 1.00 3.44 C +ATOM 104 OG SER E 155 -56.706 -24.231 31.646 1.00 3.41 O +ATOM 105 N CYS E 156 -60.411 -26.591 32.080 1.00 3.44 N +ATOM 106 CA CYS E 156 -61.432 -27.466 32.659 1.00 3.46 C +ATOM 107 C CYS E 156 -61.236 -28.936 32.304 1.00 3.40 C +ATOM 108 O CYS E 156 -60.610 -29.271 31.300 1.00 3.38 O +ATOM 109 CB CYS E 156 -62.821 -27.030 32.198 1.00 3.42 C +ATOM 110 SG CYS E 156 -63.087 -27.242 30.430 1.00 3.56 S +ATOM 111 N PHE E 157 -61.797 -29.803 33.141 1.00 3.40 N +ATOM 112 CA PHE E 157 -61.774 -31.243 32.909 1.00 3.44 C +ATOM 113 C PHE E 157 -63.128 -31.729 32.406 1.00 3.44 C +ATOM 114 O PHE E 157 -64.160 -31.465 33.026 1.00 3.38 O +ATOM 115 CB PHE E 157 -61.421 -31.982 34.198 1.00 3.46 C +ATOM 116 CG PHE E 157 -60.027 -31.725 34.675 1.00 3.36 C +ATOM 117 CD1 PHE E 157 -59.793 -30.971 35.818 1.00 3.34 C +ATOM 118 CD2 PHE E 157 -58.944 -32.235 33.977 1.00 3.35 C +ATOM 119 CE1 PHE E 157 -58.502 -30.735 36.257 1.00 3.33 C +ATOM 120 CE2 PHE E 157 -57.652 -32.002 34.407 1.00 3.48 C +ATOM 121 CZ PHE E 157 -57.429 -31.252 35.551 1.00 3.44 C +ATOM 122 N GLN E 158 -63.116 -32.440 31.283 1.00 3.48 N +ATOM 123 CA GLN E 158 -64.325 -33.057 30.752 1.00 3.51 C +ATOM 124 C GLN E 158 -64.596 -34.341 31.530 1.00 3.51 C +ATOM 125 O GLN E 158 -63.976 -35.374 31.271 1.00 3.54 O +ATOM 126 CB GLN E 158 -64.171 -33.351 29.253 1.00 3.53 C +ATOM 127 CG GLN E 158 -65.453 -33.814 28.558 1.00 3.50 C +ATOM 128 CD GLN E 158 -66.459 -32.693 28.362 1.00 3.44 C +ATOM 129 OE1 GLN E 158 -66.166 -31.690 27.715 1.00 3.55 O +ATOM 130 NE2 GLN E 158 -67.656 -32.866 28.912 1.00 3.38 N +ATOM 131 N VAL E 159 -65.502 -34.259 32.501 1.00 3.54 N +ATOM 132 CA VAL E 159 -65.925 -35.425 33.279 1.00 3.54 C +ATOM 133 C VAL E 159 -67.344 -35.806 32.868 1.00 3.60 C +ATOM 134 O VAL E 159 -68.317 -35.199 33.323 1.00 3.61 O +ATOM 135 CB VAL E 159 -65.874 -35.155 34.801 1.00 3.56 C +ATOM 136 CG1 VAL E 159 -66.329 -36.382 35.582 1.00 3.32 C +ATOM 137 CG2 VAL E 159 -64.469 -34.743 35.222 1.00 3.54 C +ATOM 138 N GLY E 160 -67.451 -36.807 31.997 1.00 3.63 N +ATOM 139 CA GLY E 160 -68.739 -37.247 31.475 1.00 3.63 C +ATOM 140 C GLY E 160 -69.375 -36.162 30.629 1.00 3.67 C +ATOM 141 O GLY E 160 -68.751 -35.651 29.698 1.00 3.68 O +ATOM 142 N GLY E 161 -70.610 -35.797 30.970 1.00 3.70 N +ATOM 143 CA GLY E 161 -71.343 -34.747 30.261 1.00 3.71 C +ATOM 144 C GLY E 161 -71.198 -33.358 30.863 1.00 3.74 C +ATOM 145 O GLY E 161 -71.901 -32.433 30.453 1.00 3.75 O +ATOM 146 N GLU E 162 -70.295 -33.211 31.833 1.00 3.76 N +ATOM 147 CA GLU E 162 -70.027 -31.922 32.474 1.00 3.80 C +ATOM 148 C GLU E 162 -68.585 -31.483 32.258 1.00 3.75 C +ATOM 149 O GLU E 162 -67.673 -32.308 32.198 1.00 3.78 O +ATOM 150 CB GLU E 162 -70.303 -31.997 33.981 1.00 3.85 C +ATOM 151 CG GLU E 162 -71.765 -31.800 34.366 1.00 4.16 C +ATOM 152 CD GLU E 162 -71.968 -31.687 35.871 1.00 4.47 C +ATOM 153 OE1 GLU E 162 -71.410 -32.518 36.619 1.00 4.65 O +ATOM 154 OE2 GLU E 162 -72.692 -30.766 36.304 1.00 4.59 O +ATOM 155 N LYS E 163 -68.392 -30.175 32.141 1.00 3.70 N +ATOM 156 CA LYS E 163 -67.062 -29.584 32.171 1.00 3.69 C +ATOM 157 C LYS E 163 -66.853 -28.967 33.552 1.00 3.63 C +ATOM 158 O LYS E 163 -67.650 -28.129 33.983 1.00 3.57 O +ATOM 159 CB LYS E 163 -66.917 -28.530 31.071 1.00 3.72 C +ATOM 160 CG LYS E 163 -66.948 -29.117 29.663 1.00 3.83 C +ATOM 161 CD LYS E 163 -67.101 -28.049 28.588 1.00 3.85 C +ATOM 162 CE LYS E 163 -67.291 -28.682 27.215 1.00 3.85 C +ATOM 163 NZ LYS E 163 -67.597 -27.679 26.156 1.00 3.96 N +ATOM 164 N AARG E 164 -65.797 -29.404 34.240 0.50 3.61 N +ATOM 165 N BARG E 164 -65.794 -29.390 34.239 0.50 3.60 N +ATOM 166 CA AARG E 164 -65.445 -28.904 35.572 0.50 3.59 C +ATOM 167 CA BARG E 164 -65.472 -28.886 35.574 0.50 3.57 C +ATOM 168 C AARG E 164 -64.338 -27.856 35.469 0.50 3.56 C +ATOM 169 C BARG E 164 -64.343 -27.860 35.492 0.50 3.55 C +ATOM 170 O AARG E 164 -63.179 -28.200 35.240 0.50 3.53 O +ATOM 171 O BARG E 164 -63.182 -28.221 35.293 0.50 3.52 O +ATOM 172 CB AARG E 164 -64.962 -30.052 36.460 0.50 3.60 C +ATOM 173 CB BARG E 164 -65.081 -30.042 36.494 0.50 3.58 C +ATOM 174 CG AARG E 164 -66.033 -31.068 36.842 0.50 3.66 C +ATOM 175 CG BARG E 164 -66.152 -31.122 36.600 0.50 3.58 C +ATOM 176 CD AARG E 164 -67.096 -30.457 37.739 0.50 3.65 C +ATOM 177 CD BARG E 164 -65.773 -32.208 37.596 0.50 3.51 C +ATOM 178 NE AARG E 164 -67.723 -31.450 38.608 0.50 3.68 N +ATOM 179 NE BARG E 164 -66.750 -33.292 37.613 0.50 3.45 N +ATOM 180 CZ AARG E 164 -68.548 -32.403 38.184 0.50 3.67 C +ATOM 181 CZ BARG E 164 -66.665 -34.365 38.392 0.50 3.39 C +ATOM 182 NH1AARG E 164 -69.073 -33.260 39.047 0.50 3.54 N +ATOM 183 NH1BARG E 164 -67.602 -35.301 38.336 0.50 3.33 N +ATOM 184 NH2AARG E 164 -68.840 -32.504 36.895 0.50 3.73 N +ATOM 185 NH2BARG E 164 -65.644 -34.502 39.227 0.50 3.41 N +ATOM 186 N LEU E 165 -64.694 -26.586 35.653 1.00 3.55 N +ATOM 187 CA LEU E 165 -63.739 -25.472 35.484 1.00 3.48 C +ATOM 188 C LEU E 165 -62.804 -25.283 36.679 1.00 3.41 C +ATOM 189 O LEU E 165 -63.163 -25.591 37.814 1.00 3.35 O +ATOM 190 CB LEU E 165 -64.489 -24.159 35.226 1.00 3.50 C +ATOM 191 CG LEU E 165 -65.176 -23.970 33.868 1.00 3.43 C +ATOM 192 CD1 LEU E 165 -66.167 -25.085 33.553 1.00 3.14 C +ATOM 193 CD2 LEU E 165 -65.872 -22.619 33.832 1.00 3.30 C +ATOM 194 N CYS E 166 -61.610 -24.759 36.407 1.00 3.37 N +ATOM 195 CA CYS E 166 -60.630 -24.447 37.450 1.00 3.34 C +ATOM 196 C CYS E 166 -61.102 -23.239 38.260 1.00 3.29 C +ATOM 197 O CYS E 166 -61.225 -22.138 37.725 1.00 3.27 O +ATOM 198 CB CYS E 166 -59.259 -24.163 36.826 1.00 3.36 C +ATOM 199 SG CYS E 166 -57.928 -23.791 38.009 1.00 3.32 S +ATOM 200 N LEU E 167 -61.361 -23.452 39.548 1.00 3.24 N +ATOM 201 CA LEU E 167 -61.954 -22.419 40.405 1.00 3.24 C +ATOM 202 C LEU E 167 -61.055 -21.188 40.640 1.00 3.23 C +ATOM 203 O LEU E 167 -61.534 -20.057 40.535 1.00 3.15 O +ATOM 204 CB LEU E 167 -62.413 -23.026 41.740 1.00 3.18 C +ATOM 205 CG LEU E 167 -63.139 -22.102 42.720 1.00 3.04 C +ATOM 206 CD1 LEU E 167 -64.332 -21.426 42.063 1.00 2.92 C +ATOM 207 CD2 LEU E 167 -63.576 -22.882 43.947 1.00 2.94 C +ATOM 208 N PRO E 168 -59.763 -21.394 40.962 1.00 3.25 N +ATOM 209 CA PRO E 168 -58.874 -20.234 41.099 1.00 3.33 C +ATOM 210 C PRO E 168 -58.922 -19.263 39.914 1.00 3.32 C +ATOM 211 O PRO E 168 -58.913 -18.051 40.121 1.00 3.30 O +ATOM 212 CB PRO E 168 -57.486 -20.870 41.214 1.00 3.30 C +ATOM 213 CG PRO E 168 -57.736 -22.183 41.844 1.00 3.34 C +ATOM 214 CD PRO E 168 -59.091 -22.641 41.373 1.00 3.24 C +ATOM 215 N GLN E 169 -58.981 -19.794 38.694 1.00 3.32 N +ATOM 216 CA GLN E 169 -59.024 -18.962 37.487 1.00 3.32 C +ATOM 217 C GLN E 169 -60.294 -18.117 37.408 1.00 3.42 C +ATOM 218 O GLN E 169 -60.250 -16.973 36.957 1.00 3.47 O +ATOM 219 CB GLN E 169 -58.900 -19.817 36.221 1.00 3.30 C +ATOM 220 CG GLN E 169 -57.482 -20.250 35.891 1.00 3.19 C +ATOM 221 CD GLN E 169 -57.339 -20.753 34.465 1.00 3.10 C +ATOM 222 OE1 GLN E 169 -58.261 -21.340 33.901 1.00 3.03 O +ATOM 223 NE2 GLN E 169 -56.173 -20.527 33.875 1.00 3.25 N +ATOM 224 N VAL E 170 -61.418 -18.685 37.837 1.00 3.45 N +ATOM 225 CA VAL E 170 -62.697 -17.975 37.820 1.00 3.47 C +ATOM 226 C VAL E 170 -62.713 -16.871 38.876 1.00 3.49 C +ATOM 227 O VAL E 170 -63.118 -15.742 38.597 1.00 3.47 O +ATOM 228 CB VAL E 170 -63.895 -18.930 38.065 1.00 3.51 C +ATOM 229 CG1 VAL E 170 -65.206 -18.158 38.056 1.00 3.43 C +ATOM 230 CG2 VAL E 170 -63.928 -20.035 37.019 1.00 3.42 C +ATOM 231 N LEU E 171 -62.263 -17.203 40.083 1.00 3.52 N +ATOM 232 CA LEU E 171 -62.253 -16.254 41.200 1.00 3.54 C +ATOM 233 C LEU E 171 -61.236 -15.122 41.026 1.00 3.56 C +ATOM 234 O LEU E 171 -61.515 -13.976 41.384 1.00 3.49 O +ATOM 235 CB LEU E 171 -61.971 -16.983 42.520 1.00 3.54 C +ATOM 236 CG LEU E 171 -62.971 -18.057 42.959 1.00 3.44 C +ATOM 237 CD1 LEU E 171 -62.440 -18.808 44.174 1.00 3.28 C +ATOM 238 CD2 LEU E 171 -64.333 -17.450 43.257 1.00 3.32 C +ATOM 239 N ASN E 172 -60.065 -15.442 40.479 1.00 3.64 N +ATOM 240 CA ASN E 172 -58.948 -14.485 40.419 1.00 3.70 C +ATOM 241 C ASN E 172 -58.805 -13.699 39.108 1.00 3.66 C +ATOM 242 O ASN E 172 -57.859 -12.927 38.962 1.00 3.67 O +ATOM 243 CB ASN E 172 -57.628 -15.199 40.739 1.00 3.74 C +ATOM 244 CG ASN E 172 -57.620 -15.828 42.128 1.00 3.98 C +ATOM 245 OD1 ASN E 172 -58.381 -15.429 43.014 1.00 4.19 O +ATOM 246 ND2 ASN E 172 -56.750 -16.814 42.323 1.00 4.18 N +ATOM 247 N SER E 173 -59.731 -13.881 38.166 1.00 3.63 N +ATOM 248 CA SER E 173 -59.718 -13.097 36.921 1.00 3.61 C +ATOM 249 C SER E 173 -61.123 -12.686 36.469 1.00 3.55 C +ATOM 250 O SER E 173 -61.404 -11.499 36.322 1.00 3.60 O +ATOM 251 CB SER E 173 -58.988 -13.851 35.802 1.00 3.59 C +ATOM 252 OG SER E 173 -59.771 -14.906 35.272 1.00 3.80 O +ATOM 253 N VAL E 174 -61.994 -13.667 36.250 1.00 3.50 N +ATOM 254 CA VAL E 174 -63.368 -13.403 35.810 1.00 3.43 C +ATOM 255 C VAL E 174 -64.170 -12.638 36.867 1.00 3.39 C +ATOM 256 O VAL E 174 -64.903 -11.707 36.535 1.00 3.37 O +ATOM 257 CB VAL E 174 -64.119 -14.710 35.447 1.00 3.43 C +ATOM 258 CG1 VAL E 174 -65.586 -14.430 35.162 1.00 3.31 C +ATOM 259 CG2 VAL E 174 -63.468 -15.385 34.250 1.00 3.35 C +ATOM 260 N LEU E 175 -64.025 -13.035 38.130 1.00 3.32 N +ATOM 261 CA LEU E 175 -64.738 -12.391 39.238 1.00 3.31 C +ATOM 262 C LEU E 175 -63.785 -11.686 40.218 1.00 3.33 C +ATOM 263 O LEU E 175 -64.035 -11.654 41.425 1.00 3.29 O +ATOM 264 CB LEU E 175 -65.595 -13.424 39.979 1.00 3.28 C +ATOM 265 CG LEU E 175 -66.615 -14.193 39.127 1.00 3.23 C +ATOM 266 CD1 LEU E 175 -67.240 -15.325 39.925 1.00 3.02 C +ATOM 267 CD2 LEU E 175 -67.692 -13.265 38.588 1.00 3.06 C +ATOM 268 N ARG E 176 -62.704 -11.108 39.697 1.00 3.30 N +ATOM 269 CA ARG E 176 -61.735 -10.393 40.538 1.00 3.33 C +ATOM 270 C ARG E 176 -62.357 -9.142 41.162 1.00 3.31 C +ATOM 271 O ARG E 176 -62.028 -8.771 42.289 1.00 3.24 O +ATOM 272 CB ARG E 176 -60.488 -10.011 39.727 1.00 3.32 C +ATOM 273 CG ARG E 176 -59.398 -9.273 40.515 1.00 3.25 C +ATOM 274 CD ARG E 176 -58.806 -10.136 41.624 1.00 3.14 C +ATOM 275 NE ARG E 176 -57.867 -9.397 42.470 1.00 2.98 N +ATOM 276 CZ ARG E 176 -58.213 -8.541 43.433 1.00 2.84 C +ATOM 277 NH1 ARG E 176 -59.490 -8.277 43.693 1.00 2.65 N +ATOM 278 NH2 ARG E 176 -57.267 -7.934 44.139 1.00 2.84 N +ATOM 279 N GLU E 177 -63.261 -8.510 40.417 1.00 3.30 N +ATOM 280 CA GLU E 177 -63.935 -7.282 40.853 1.00 3.28 C +ATOM 281 C GLU E 177 -64.904 -7.479 42.026 1.00 3.23 C +ATOM 282 O GLU E 177 -65.361 -6.502 42.620 1.00 3.15 O +ATOM 283 CB GLU E 177 -64.681 -6.647 39.673 1.00 3.28 C +ATOM 284 CG GLU E 177 -65.838 -7.485 39.132 1.00 3.24 C +ATOM 285 CD GLU E 177 -66.175 -7.155 37.691 1.00 3.11 C +ATOM 286 OE1 GLU E 177 -66.817 -6.111 37.450 1.00 3.04 O +ATOM 287 OE2 GLU E 177 -65.804 -7.947 36.800 1.00 3.00 O +ATOM 288 N PHE E 178 -65.222 -8.732 42.346 1.00 3.23 N +ATOM 289 CA PHE E 178 -66.098 -9.050 43.473 1.00 3.27 C +ATOM 290 C PHE E 178 -65.299 -9.629 44.631 1.00 3.23 C +ATOM 291 O PHE E 178 -64.372 -10.411 44.421 1.00 3.19 O +ATOM 292 CB PHE E 178 -67.175 -10.043 43.039 1.00 3.26 C +ATOM 293 CG PHE E 178 -68.051 -9.533 41.938 1.00 3.28 C +ATOM 294 CD1 PHE E 178 -69.141 -8.722 42.222 1.00 3.32 C +ATOM 295 CD2 PHE E 178 -67.782 -9.851 40.614 1.00 3.33 C +ATOM 296 CE1 PHE E 178 -69.955 -8.240 41.205 1.00 3.27 C +ATOM 297 CE2 PHE E 178 -68.591 -9.374 39.590 1.00 3.27 C +ATOM 298 CZ PHE E 178 -69.678 -8.565 39.887 1.00 3.23 C +ATOM 299 N THR E 179 -65.667 -9.247 45.850 1.00 3.28 N +ATOM 300 CA THR E 179 -64.964 -9.705 47.048 1.00 3.34 C +ATOM 301 C THR E 179 -65.242 -11.182 47.321 1.00 3.36 C +ATOM 302 O THR E 179 -66.315 -11.691 47.002 1.00 3.37 O +ATOM 303 CB THR E 179 -65.359 -8.885 48.297 1.00 3.37 C +ATOM 304 OG1 THR E 179 -66.769 -8.999 48.524 1.00 3.37 O +ATOM 305 CG2 THR E 179 -64.986 -7.418 48.123 1.00 3.21 C +ATOM 306 N LEU E 180 -64.268 -11.850 47.930 1.00 3.40 N +ATOM 307 CA LEU E 180 -64.327 -13.292 48.184 1.00 3.40 C +ATOM 308 C LEU E 180 -65.524 -13.664 49.072 1.00 3.52 C +ATOM 309 O LEU E 180 -66.129 -14.728 48.904 1.00 3.42 O +ATOM 310 CB LEU E 180 -63.010 -13.763 48.818 1.00 3.42 C +ATOM 311 CG LEU E 180 -62.557 -15.197 48.532 1.00 3.40 C +ATOM 312 CD1 LEU E 180 -61.032 -15.305 48.612 1.00 2.96 C +ATOM 313 CD2 LEU E 180 -63.224 -16.185 49.479 1.00 3.27 C +ATOM 314 N GLN E 181 -65.862 -12.776 50.005 1.00 3.58 N +ATOM 315 CA GLN E 181 -67.041 -12.941 50.863 1.00 3.60 C +ATOM 316 C GLN E 181 -68.341 -12.858 50.060 1.00 3.56 C +ATOM 317 O GLN E 181 -69.282 -13.617 50.304 1.00 3.58 O +ATOM 318 CB GLN E 181 -67.049 -11.870 51.961 1.00 3.61 C +ATOM 319 CG GLN E 181 -68.176 -12.007 52.983 1.00 3.77 C +ATOM 320 CD GLN E 181 -68.264 -10.818 53.928 1.00 3.87 C +ATOM 321 OE1 GLN E 181 -67.252 -10.211 54.281 1.00 3.71 O +ATOM 322 NE2 GLN E 181 -69.482 -10.484 54.346 1.00 3.95 N +ATOM 323 N GLN E 182 -68.386 -11.923 49.114 1.00 3.54 N +ATOM 324 CA GLN E 182 -69.575 -11.697 48.291 1.00 3.56 C +ATOM 325 C GLN E 182 -69.765 -12.794 47.235 1.00 3.54 C +ATOM 326 O GLN E 182 -70.879 -13.020 46.763 1.00 3.56 O +ATOM 327 CB GLN E 182 -69.494 -10.322 47.622 1.00 3.58 C +ATOM 328 CG GLN E 182 -70.792 -9.848 46.985 1.00 3.66 C +ATOM 329 CD GLN E 182 -70.734 -8.397 46.534 1.00 3.73 C +ATOM 330 OE1 GLN E 182 -69.677 -7.763 46.554 1.00 3.95 O +ATOM 331 NE2 GLN E 182 -71.879 -7.864 46.125 1.00 3.76 N +ATOM 332 N ILE E 183 -68.673 -13.461 46.866 1.00 3.57 N +ATOM 333 CA ILE E 183 -68.719 -14.593 45.942 1.00 3.54 C +ATOM 334 C ILE E 183 -69.291 -15.817 46.651 1.00 3.57 C +ATOM 335 O ILE E 183 -70.200 -16.474 46.139 1.00 3.63 O +ATOM 336 CB ILE E 183 -67.313 -14.955 45.404 1.00 3.59 C +ATOM 337 CG1 ILE E 183 -66.726 -13.807 44.572 1.00 3.74 C +ATOM 338 CG2 ILE E 183 -67.371 -16.225 44.565 1.00 3.33 C +ATOM 339 CD1 ILE E 183 -67.403 -13.605 43.236 1.00 4.00 C +ATOM 340 N ASN E 184 -68.749 -16.115 47.830 1.00 3.54 N +ATOM 341 CA ASN E 184 -69.200 -17.257 48.628 1.00 3.59 C +ATOM 342 C ASN E 184 -70.618 -17.097 49.177 1.00 3.59 C +ATOM 343 O ASN E 184 -71.286 -18.092 49.454 1.00 3.55 O +ATOM 344 CB ASN E 184 -68.232 -17.538 49.784 1.00 3.61 C +ATOM 345 CG ASN E 184 -66.988 -18.280 49.335 1.00 3.76 C +ATOM 346 OD1 ASN E 184 -66.943 -19.511 49.368 1.00 4.01 O +ATOM 347 ND2 ASN E 184 -65.975 -17.536 48.903 1.00 3.51 N +ATOM 348 N THR E 185 -71.067 -15.854 49.345 1.00 3.60 N +ATOM 349 CA THR E 185 -72.435 -15.586 49.800 1.00 3.56 C +ATOM 350 C THR E 185 -73.444 -15.860 48.685 1.00 3.52 C +ATOM 351 O THR E 185 -74.520 -16.394 48.940 1.00 3.47 O +ATOM 352 CB THR E 185 -72.608 -14.140 50.327 1.00 3.57 C +ATOM 353 OG1 THR E 185 -73.843 -14.034 51.042 1.00 3.49 O +ATOM 354 CG2 THR E 185 -72.602 -13.127 49.192 1.00 3.65 C +ATOM 355 N VAL E 186 -73.086 -15.502 47.454 1.00 3.53 N +ATOM 356 CA VAL E 186 -73.933 -15.774 46.292 1.00 3.56 C +ATOM 357 C VAL E 186 -73.950 -17.270 45.975 1.00 3.58 C +ATOM 358 O VAL E 186 -74.942 -17.787 45.463 1.00 3.61 O +ATOM 359 CB VAL E 186 -73.475 -14.968 45.058 1.00 3.55 C +ATOM 360 CG1 VAL E 186 -74.209 -15.418 43.803 1.00 3.41 C +ATOM 361 CG2 VAL E 186 -73.698 -13.487 45.296 1.00 3.66 C +ATOM 362 N CYS E 187 -72.854 -17.959 46.288 1.00 3.58 N +ATOM 363 CA CYS E 187 -72.794 -19.418 46.161 1.00 3.57 C +ATOM 364 C CYS E 187 -73.752 -20.113 47.132 1.00 3.57 C +ATOM 365 O CYS E 187 -74.399 -21.097 46.771 1.00 3.52 O +ATOM 366 CB CYS E 187 -71.367 -19.926 46.379 1.00 3.56 C +ATOM 367 SG CYS E 187 -70.296 -19.693 44.951 1.00 3.47 S +ATOM 368 N ASP E 188 -73.837 -19.599 48.357 1.00 3.58 N +ATOM 369 CA ASP E 188 -74.783 -20.116 49.354 1.00 3.63 C +ATOM 370 C ASP E 188 -76.223 -19.725 49.028 1.00 3.56 C +ATOM 371 O ASP E 188 -77.162 -20.410 49.427 1.00 3.50 O +ATOM 372 CB ASP E 188 -74.417 -19.617 50.754 1.00 3.63 C +ATOM 373 CG ASP E 188 -73.083 -20.152 51.235 1.00 3.77 C +ATOM 374 OD1 ASP E 188 -72.662 -19.772 52.348 1.00 3.95 O +ATOM 375 OD2 ASP E 188 -72.454 -20.949 50.505 1.00 3.95 O +ATOM 376 N GLU E 189 -76.381 -18.613 48.315 1.00 3.58 N +ATOM 377 CA GLU E 189 -77.680 -18.166 47.816 1.00 3.64 C +ATOM 378 C GLU E 189 -78.212 -19.147 46.771 1.00 3.61 C +ATOM 379 O GLU E 189 -79.393 -19.507 46.780 1.00 3.62 O +ATOM 380 CB GLU E 189 -77.543 -16.774 47.184 1.00 3.71 C +ATOM 381 CG GLU E 189 -78.863 -16.026 46.967 1.00 3.84 C +ATOM 382 CD GLU E 189 -79.128 -14.963 48.025 1.00 4.04 C +ATOM 383 OE1 GLU E 189 -78.200 -14.179 48.338 1.00 3.84 O +ATOM 384 OE2 GLU E 189 -80.271 -14.905 48.530 1.00 3.96 O +ATOM 385 N LEU E 190 -77.318 -19.574 45.882 1.00 3.57 N +ATOM 386 CA LEU E 190 -77.654 -20.442 44.754 1.00 3.55 C +ATOM 387 C LEU E 190 -77.277 -21.910 45.002 1.00 3.55 C +ATOM 388 O LEU E 190 -77.354 -22.734 44.089 1.00 3.56 O +ATOM 389 CB LEU E 190 -76.949 -19.929 43.495 1.00 3.55 C +ATOM 390 CG LEU E 190 -77.210 -18.462 43.136 1.00 3.52 C +ATOM 391 CD1 LEU E 190 -76.215 -17.977 42.094 1.00 3.27 C +ATOM 392 CD2 LEU E 190 -78.639 -18.269 42.655 1.00 3.36 C +ATOM 393 N TYR E 191 -76.868 -22.224 46.232 1.00 3.54 N +ATOM 394 CA TYR E 191 -76.563 -23.600 46.657 1.00 3.55 C +ATOM 395 C TYR E 191 -75.482 -24.271 45.802 1.00 3.55 C +ATOM 396 O TYR E 191 -75.615 -25.431 45.407 1.00 3.54 O +ATOM 397 CB TYR E 191 -77.840 -24.452 46.686 1.00 3.56 C +ATOM 398 CG TYR E 191 -78.958 -23.830 47.492 1.00 3.53 C +ATOM 399 CD1 TYR E 191 -79.042 -24.022 48.868 1.00 3.49 C +ATOM 400 CD2 TYR E 191 -79.924 -23.039 46.879 1.00 3.57 C +ATOM 401 CE1 TYR E 191 -80.065 -23.446 49.612 1.00 3.61 C +ATOM 402 CE2 TYR E 191 -80.951 -22.459 47.613 1.00 3.60 C +ATOM 403 CZ TYR E 191 -81.014 -22.667 48.978 1.00 3.66 C +ATOM 404 OH TYR E 191 -82.027 -22.095 49.711 1.00 3.75 O +ATOM 405 N ILE E 192 -74.410 -23.530 45.532 1.00 3.61 N +ATOM 406 CA ILE E 192 -73.275 -24.039 44.765 1.00 3.59 C +ATOM 407 C ILE E 192 -72.197 -24.546 45.721 1.00 3.58 C +ATOM 408 O ILE E 192 -71.753 -23.815 46.603 1.00 3.53 O +ATOM 409 CB ILE E 192 -72.678 -22.950 43.850 1.00 3.57 C +ATOM 410 CG1 ILE E 192 -73.738 -22.438 42.869 1.00 3.52 C +ATOM 411 CG2 ILE E 192 -71.482 -23.496 43.085 1.00 3.59 C +ATOM 412 CD1 ILE E 192 -73.253 -21.325 41.968 1.00 3.33 C +ATOM 413 N TYR E 193 -71.795 -25.803 45.543 1.00 3.62 N +ATOM 414 CA TYR E 193 -70.762 -26.432 46.366 1.00 3.64 C +ATOM 415 C TYR E 193 -69.696 -27.033 45.467 1.00 3.61 C +ATOM 416 O TYR E 193 -69.959 -27.990 44.739 1.00 3.66 O +ATOM 417 CB TYR E 193 -71.360 -27.529 47.244 1.00 3.69 C +ATOM 418 CG TYR E 193 -72.361 -27.028 48.259 1.00 3.92 C +ATOM 419 CD1 TYR E 193 -71.942 -26.341 49.394 1.00 4.06 C +ATOM 420 CD2 TYR E 193 -73.728 -27.251 48.090 1.00 4.28 C +ATOM 421 CE1 TYR E 193 -72.857 -25.880 50.334 1.00 4.23 C +ATOM 422 CE2 TYR E 193 -74.653 -26.795 49.025 1.00 4.38 C +ATOM 423 CZ TYR E 193 -74.208 -26.108 50.144 1.00 4.44 C +ATOM 424 OH TYR E 193 -75.113 -25.652 51.074 1.00 4.89 O +ATOM 425 N CYS E 194 -68.492 -26.477 45.528 1.00 3.59 N +ATOM 426 CA CYS E 194 -67.413 -26.875 44.634 1.00 3.61 C +ATOM 427 C CYS E 194 -66.690 -28.120 45.134 1.00 3.51 C +ATOM 428 O CYS E 194 -66.411 -28.249 46.324 1.00 3.46 O +ATOM 429 CB CYS E 194 -66.421 -25.723 44.474 1.00 3.68 C +ATOM 430 SG CYS E 194 -67.152 -24.254 43.716 1.00 4.05 S +ATOM 431 N SER E 195 -66.396 -29.031 44.210 1.00 3.44 N +ATOM 432 CA SER E 195 -65.607 -30.222 44.510 1.00 3.40 C +ATOM 433 C SER E 195 -64.119 -29.890 44.441 1.00 3.38 C +ATOM 434 O SER E 195 -63.738 -28.786 44.053 1.00 3.37 O +ATOM 435 CB SER E 195 -65.944 -31.351 43.530 1.00 3.39 C +ATOM 436 OG SER E 195 -65.751 -30.944 42.186 1.00 3.32 O +ATOM 437 N ARG E 196 -63.288 -30.853 44.824 1.00 3.36 N +ATOM 438 CA ARG E 196 -61.839 -30.684 44.809 1.00 3.34 C +ATOM 439 C ARG E 196 -61.210 -31.597 43.761 1.00 3.29 C +ATOM 440 O ARG E 196 -61.668 -32.720 43.556 1.00 3.27 O +ATOM 441 CB ARG E 196 -61.268 -30.997 46.192 1.00 3.33 C +ATOM 442 CG ARG E 196 -59.845 -30.513 46.401 1.00 3.35 C +ATOM 443 CD ARG E 196 -59.401 -30.714 47.839 1.00 3.34 C +ATOM 444 NE ARG E 196 -60.091 -29.814 48.761 1.00 3.29 N +ATOM 445 CZ ARG E 196 -59.902 -29.789 50.079 1.00 3.30 C +ATOM 446 NH1 ARG E 196 -59.037 -30.619 50.657 1.00 3.31 N +ATOM 447 NH2 ARG E 196 -60.584 -28.929 50.828 1.00 3.29 N +ATOM 448 N CYS E 197 -60.162 -31.109 43.102 1.00 3.28 N +ATOM 449 CA CYS E 197 -59.444 -31.892 42.095 1.00 3.25 C +ATOM 450 C CYS E 197 -58.866 -33.166 42.698 1.00 3.25 C +ATOM 451 O CYS E 197 -58.547 -33.212 43.885 1.00 3.22 O +ATOM 452 CB CYS E 197 -58.303 -31.073 41.479 1.00 3.26 C +ATOM 453 SG CYS E 197 -58.820 -29.703 40.427 1.00 3.06 S +ATOM 454 N THR E 198 -58.732 -34.197 41.871 1.00 3.26 N +ATOM 455 CA THR E 198 -58.079 -35.433 42.287 1.00 3.27 C +ATOM 456 C THR E 198 -56.565 -35.244 42.298 1.00 3.29 C +ATOM 457 O THR E 198 -56.055 -34.207 41.869 1.00 3.24 O +ATOM 458 CB THR E 198 -58.431 -36.607 41.352 1.00 3.26 C +ATOM 459 OG1 THR E 198 -57.931 -36.344 40.037 1.00 3.19 O +ATOM 460 CG2 THR E 198 -59.936 -36.812 41.290 1.00 3.23 C +ATOM 461 N SER E 199 -55.855 -36.251 42.795 1.00 3.32 N +ATOM 462 CA SER E 199 -54.392 -36.240 42.815 1.00 3.35 C +ATOM 463 C SER E 199 -53.812 -36.040 41.415 1.00 3.39 C +ATOM 464 O SER E 199 -52.860 -35.279 41.235 1.00 3.38 O +ATOM 465 CB SER E 199 -53.861 -37.545 43.414 1.00 3.34 C +ATOM 466 OG SER E 199 -52.447 -37.599 43.351 1.00 3.28 O +ATOM 467 N ASP E 200 -54.398 -36.723 40.433 1.00 3.44 N +ATOM 468 CA ASP E 200 -53.948 -36.641 39.041 1.00 3.46 C +ATOM 469 C ASP E 200 -54.300 -35.300 38.395 1.00 3.47 C +ATOM 470 O ASP E 200 -53.524 -34.765 37.602 1.00 3.44 O +ATOM 471 CB ASP E 200 -54.562 -37.777 38.212 1.00 3.45 C +ATOM 472 CG ASP E 200 -54.118 -39.156 38.676 1.00 3.41 C +ATOM 473 OD1 ASP E 200 -53.312 -39.250 39.626 1.00 3.37 O +ATOM 474 OD2 ASP E 200 -54.580 -40.154 38.085 1.00 3.33 O +ATOM 475 N GLN E 201 -55.471 -34.770 38.736 1.00 3.49 N +ATOM 476 CA GLN E 201 -55.974 -33.529 38.140 1.00 3.55 C +ATOM 477 C GLN E 201 -55.183 -32.309 38.592 1.00 3.51 C +ATOM 478 O GLN E 201 -54.874 -31.431 37.785 1.00 3.43 O +ATOM 479 CB GLN E 201 -57.451 -33.338 38.479 1.00 3.55 C +ATOM 480 CG GLN E 201 -58.371 -34.248 37.691 1.00 3.75 C +ATOM 481 CD GLN E 201 -59.793 -34.268 38.222 1.00 3.94 C +ATOM 482 OE1 GLN E 201 -60.047 -33.926 39.379 1.00 4.25 O +ATOM 483 NE2 GLN E 201 -60.730 -34.680 37.375 1.00 3.79 N +ATOM 484 N LEU E 202 -54.874 -32.254 39.885 1.00 3.51 N +ATOM 485 CA LEU E 202 -54.021 -31.204 40.434 1.00 3.41 C +ATOM 486 C LEU E 202 -52.700 -31.188 39.682 1.00 3.44 C +ATOM 487 O LEU E 202 -52.272 -30.149 39.186 1.00 3.45 O +ATOM 488 CB LEU E 202 -53.768 -31.442 41.927 1.00 3.38 C +ATOM 489 CG LEU E 202 -52.939 -30.402 42.690 1.00 3.23 C +ATOM 490 CD1 LEU E 202 -53.631 -29.051 42.672 1.00 3.15 C +ATOM 491 CD2 LEU E 202 -52.687 -30.852 44.125 1.00 2.73 C +ATOM 492 N HIS E 203 -52.074 -32.356 39.581 1.00 3.48 N +ATOM 493 CA HIS E 203 -50.750 -32.477 38.976 1.00 3.58 C +ATOM 494 C HIS E 203 -50.724 -32.030 37.511 1.00 3.66 C +ATOM 495 O HIS E 203 -49.790 -31.340 37.081 1.00 3.83 O +ATOM 496 CB HIS E 203 -50.232 -33.912 39.096 1.00 3.54 C +ATOM 497 CG HIS E 203 -48.837 -34.087 38.589 1.00 3.54 C +ATOM 498 ND1 HIS E 203 -47.732 -33.635 39.278 1.00 3.51 N +ATOM 499 CD2 HIS E 203 -48.367 -34.647 37.450 1.00 3.66 C +ATOM 500 CE1 HIS E 203 -46.642 -33.917 38.588 1.00 3.62 C +ATOM 501 NE2 HIS E 203 -46.999 -34.532 37.475 1.00 3.61 N +ATOM 502 N ILE E 204 -51.750 -32.414 36.758 1.00 3.61 N +ATOM 503 CA ILE E 204 -51.832 -32.091 35.330 1.00 3.63 C +ATOM 504 C ILE E 204 -52.064 -30.586 35.112 1.00 3.65 C +ATOM 505 O ILE E 204 -51.630 -30.025 34.105 1.00 3.72 O +ATOM 506 CB ILE E 204 -52.935 -32.939 34.619 1.00 3.72 C +ATOM 507 CG1 ILE E 204 -52.433 -33.477 33.274 1.00 3.79 C +ATOM 508 CG2 ILE E 204 -54.235 -32.152 34.466 1.00 3.69 C +ATOM 509 CD1 ILE E 204 -52.075 -32.416 32.273 1.00 3.74 C +ATOM 510 N LEU E 205 -52.740 -29.938 36.059 1.00 3.63 N +ATOM 511 CA LEU E 205 -52.919 -28.482 36.023 1.00 3.67 C +ATOM 512 C LEU E 205 -51.591 -27.745 36.223 1.00 3.70 C +ATOM 513 O LEU E 205 -51.363 -26.696 35.620 1.00 3.75 O +ATOM 514 CB LEU E 205 -53.936 -28.031 37.079 1.00 3.67 C +ATOM 515 CG LEU E 205 -55.404 -28.189 36.676 1.00 3.82 C +ATOM 516 CD1 LEU E 205 -56.318 -28.292 37.898 1.00 3.96 C +ATOM 517 CD2 LEU E 205 -55.829 -27.038 35.778 1.00 3.73 C +ATOM 518 N LYS E 206 -50.725 -28.306 37.067 1.00 3.70 N +ATOM 519 CA LYS E 206 -49.406 -27.738 37.340 1.00 3.70 C +ATOM 520 C LYS E 206 -48.450 -27.950 36.171 1.00 3.75 C +ATOM 521 O LYS E 206 -47.787 -27.014 35.722 1.00 3.70 O +ATOM 522 CB LYS E 206 -48.812 -28.364 38.604 1.00 3.74 C +ATOM 523 CG LYS E 206 -49.581 -28.036 39.878 1.00 3.79 C +ATOM 524 CD LYS E 206 -49.210 -28.971 41.016 1.00 3.62 C +ATOM 525 CE LYS E 206 -49.773 -28.476 42.335 1.00 3.63 C +ATOM 526 NZ LYS E 206 -49.439 -29.378 43.470 1.00 3.50 N +ATOM 527 N VAL E 207 -48.390 -29.186 35.680 1.00 3.84 N +ATOM 528 CA VAL E 207 -47.491 -29.547 34.578 1.00 3.82 C +ATOM 529 C VAL E 207 -47.771 -28.715 33.324 1.00 3.79 C +ATOM 530 O VAL E 207 -46.843 -28.265 32.652 1.00 3.78 O +ATOM 531 CB VAL E 207 -47.596 -31.053 34.230 1.00 3.85 C +ATOM 532 CG1 VAL E 207 -46.786 -31.382 32.981 1.00 3.85 C +ATOM 533 CG2 VAL E 207 -47.131 -31.906 35.401 1.00 3.75 C +ATOM 534 N LEU E 208 -49.050 -28.500 33.024 1.00 3.74 N +ATOM 535 CA LEU E 208 -49.444 -27.691 31.866 1.00 3.76 C +ATOM 536 C LEU E 208 -49.478 -26.181 32.157 1.00 3.79 C +ATOM 537 O LEU E 208 -49.982 -25.399 31.348 1.00 3.77 O +ATOM 538 CB LEU E 208 -50.786 -28.176 31.311 1.00 3.77 C +ATOM 539 CG LEU E 208 -50.786 -29.637 30.843 1.00 3.76 C +ATOM 540 CD1 LEU E 208 -52.116 -30.003 30.210 1.00 3.71 C +ATOM 541 CD2 LEU E 208 -49.645 -29.915 29.871 1.00 3.84 C +ATOM 542 N GLY E 209 -48.940 -25.780 33.308 1.00 3.78 N +ATOM 543 CA GLY E 209 -48.635 -24.376 33.591 1.00 3.71 C +ATOM 544 C GLY E 209 -49.778 -23.475 34.029 1.00 3.70 C +ATOM 545 O GLY E 209 -49.622 -22.255 34.055 1.00 3.63 O +ATOM 546 N ILE E 210 -50.921 -24.055 34.384 1.00 3.68 N +ATOM 547 CA ILE E 210 -52.072 -23.261 34.819 1.00 3.66 C +ATOM 548 C ILE E 210 -51.900 -22.827 36.268 1.00 3.64 C +ATOM 549 O ILE E 210 -52.004 -21.642 36.585 1.00 3.72 O +ATOM 550 CB ILE E 210 -53.402 -24.039 34.665 1.00 3.71 C +ATOM 551 CG1 ILE E 210 -53.608 -24.459 33.206 1.00 3.81 C +ATOM 552 CG2 ILE E 210 -54.578 -23.198 35.143 1.00 3.43 C +ATOM 553 CD1 ILE E 210 -53.451 -23.321 32.203 1.00 3.72 C +ATOM 554 N LEU E 211 -51.631 -23.797 37.138 1.00 3.61 N +ATOM 555 CA LEU E 211 -51.458 -23.550 38.568 1.00 3.58 C +ATOM 556 C LEU E 211 -49.989 -23.648 38.958 1.00 3.55 C +ATOM 557 O LEU E 211 -49.214 -24.333 38.289 1.00 3.57 O +ATOM 558 CB LEU E 211 -52.262 -24.566 39.390 1.00 3.56 C +ATOM 559 CG LEU E 211 -53.787 -24.458 39.367 1.00 3.48 C +ATOM 560 CD1 LEU E 211 -54.404 -25.572 40.202 1.00 3.31 C +ATOM 561 CD2 LEU E 211 -54.248 -23.101 39.871 1.00 3.39 C +ATOM 562 N PRO E 212 -49.599 -22.960 40.045 1.00 3.56 N +ATOM 563 CA PRO E 212 -48.240 -23.096 40.569 1.00 3.59 C +ATOM 564 C PRO E 212 -48.041 -24.452 41.243 1.00 3.59 C +ATOM 565 O PRO E 212 -48.985 -25.003 41.814 1.00 3.57 O +ATOM 566 CB PRO E 212 -48.140 -21.957 41.585 1.00 3.60 C +ATOM 567 CG PRO E 212 -49.536 -21.677 41.991 1.00 3.62 C +ATOM 568 CD PRO E 212 -50.392 -21.980 40.807 1.00 3.54 C +ATOM 569 N PHE E 213 -46.823 -24.978 41.170 1.00 3.57 N +ATOM 570 CA PHE E 213 -46.529 -26.330 41.660 1.00 3.66 C +ATOM 571 C PHE E 213 -46.703 -26.503 43.173 1.00 3.69 C +ATOM 572 O PHE E 213 -46.952 -27.614 43.643 1.00 3.71 O +ATOM 573 CB PHE E 213 -45.117 -26.770 41.246 1.00 3.71 C +ATOM 574 CG PHE E 213 -45.069 -27.517 39.938 1.00 3.76 C +ATOM 575 CD1 PHE E 213 -45.023 -26.834 38.731 1.00 3.62 C +ATOM 576 CD2 PHE E 213 -45.061 -28.907 39.918 1.00 3.88 C +ATOM 577 CE1 PHE E 213 -44.974 -27.522 37.528 1.00 3.81 C +ATOM 578 CE2 PHE E 213 -45.011 -29.603 38.717 1.00 3.89 C +ATOM 579 CZ PHE E 213 -44.969 -28.910 37.521 1.00 3.92 C +ATOM 580 N ASN E 214 -46.573 -25.417 43.932 1.00 3.74 N +ATOM 581 CA ASN E 214 -46.769 -25.474 45.385 1.00 3.80 C +ATOM 582 C ASN E 214 -48.233 -25.600 45.806 1.00 3.77 C +ATOM 583 O ASN E 214 -48.514 -26.035 46.921 1.00 3.85 O +ATOM 584 CB ASN E 214 -46.136 -24.258 46.072 1.00 3.81 C +ATOM 585 CG ASN E 214 -44.617 -24.289 46.031 1.00 3.92 C +ATOM 586 OD1 ASN E 214 -44.015 -25.281 45.616 1.00 4.13 O +ATOM 587 ND2 ASN E 214 -43.989 -23.200 46.470 1.00 3.63 N +ATOM 588 N ALA E 215 -49.153 -25.225 44.919 1.00 3.80 N +ATOM 589 CA ALA E 215 -50.592 -25.284 45.207 1.00 3.80 C +ATOM 590 C ALA E 215 -50.996 -26.635 45.812 1.00 3.83 C +ATOM 591 O ALA E 215 -50.862 -27.669 45.156 1.00 3.74 O +ATOM 592 CB ALA E 215 -51.393 -25.018 43.942 1.00 3.78 C +ATOM 593 N PRO E 216 -51.492 -26.629 47.066 1.00 3.88 N +ATOM 594 CA PRO E 216 -51.814 -27.876 47.768 1.00 3.87 C +ATOM 595 C PRO E 216 -53.076 -28.554 47.250 1.00 3.84 C +ATOM 596 O PRO E 216 -53.180 -29.781 47.286 1.00 3.84 O +ATOM 597 CB PRO E 216 -52.030 -27.414 49.210 1.00 3.87 C +ATOM 598 CG PRO E 216 -52.555 -26.036 49.073 1.00 3.96 C +ATOM 599 CD PRO E 216 -51.860 -25.446 47.867 1.00 3.90 C +ATOM 600 N SER E 217 -54.023 -27.749 46.783 1.00 3.84 N +ATOM 601 CA SER E 217 -55.292 -28.252 46.281 1.00 3.80 C +ATOM 602 C SER E 217 -55.878 -27.269 45.281 1.00 3.83 C +ATOM 603 O SER E 217 -55.341 -26.178 45.082 1.00 3.86 O +ATOM 604 CB SER E 217 -56.265 -28.449 47.440 1.00 3.82 C +ATOM 605 OG SER E 217 -56.569 -27.211 48.058 1.00 3.78 O +ATOM 606 N CYS E 218 -56.983 -27.661 44.658 1.00 3.89 N +ATOM 607 CA CYS E 218 -57.665 -26.806 43.696 1.00 3.99 C +ATOM 608 C CYS E 218 -59.148 -27.154 43.588 1.00 3.86 C +ATOM 609 O CYS E 218 -59.504 -28.318 43.424 1.00 3.79 O +ATOM 610 CB CYS E 218 -57.010 -26.936 42.325 1.00 4.02 C +ATOM 611 SG CYS E 218 -57.758 -25.873 41.081 1.00 4.88 S +ATOM 612 N GLY E 219 -59.999 -26.134 43.675 1.00 3.79 N +ATOM 613 CA GLY E 219 -61.445 -26.315 43.605 1.00 3.82 C +ATOM 614 C GLY E 219 -61.949 -26.430 42.176 1.00 3.83 C +ATOM 615 O GLY E 219 -61.331 -25.905 41.246 1.00 3.94 O +ATOM 616 N LEU E 220 -63.074 -27.119 42.005 1.00 3.71 N +ATOM 617 CA LEU E 220 -63.696 -27.283 40.691 1.00 3.72 C +ATOM 618 C LEU E 220 -65.170 -26.891 40.721 1.00 3.64 C +ATOM 619 O LEU E 220 -65.906 -27.274 41.628 1.00 3.55 O +ATOM 620 CB LEU E 220 -63.565 -28.727 40.191 1.00 3.73 C +ATOM 621 CG LEU E 220 -62.180 -29.186 39.721 1.00 3.81 C +ATOM 622 CD1 LEU E 220 -62.250 -30.610 39.182 1.00 3.42 C +ATOM 623 CD2 LEU E 220 -61.595 -28.244 38.667 1.00 3.82 C +ATOM 624 N ILE E 221 -65.581 -26.135 39.708 1.00 3.58 N +ATOM 625 CA ILE E 221 -66.957 -25.667 39.567 1.00 3.49 C +ATOM 626 C ILE E 221 -67.441 -25.991 38.152 1.00 3.48 C +ATOM 627 O ILE E 221 -66.711 -25.789 37.182 1.00 3.39 O +ATOM 628 CB ILE E 221 -67.053 -24.144 39.859 1.00 3.50 C +ATOM 629 CG1 ILE E 221 -68.493 -23.644 39.749 1.00 3.34 C +ATOM 630 CG2 ILE E 221 -66.131 -23.347 38.933 1.00 3.34 C +ATOM 631 CD1 ILE E 221 -68.657 -22.202 40.180 1.00 3.23 C +ATOM 632 N THR E 222 -68.663 -26.509 38.036 1.00 3.53 N +ATOM 633 CA THR E 222 -69.208 -26.882 36.725 1.00 3.57 C +ATOM 634 C THR E 222 -69.466 -25.640 35.879 1.00 3.55 C +ATOM 635 O THR E 222 -69.656 -24.547 36.414 1.00 3.63 O +ATOM 636 CB THR E 222 -70.523 -27.679 36.838 1.00 3.55 C +ATOM 637 OG1 THR E 222 -71.535 -26.860 37.432 1.00 3.62 O +ATOM 638 CG2 THR E 222 -70.331 -28.937 37.674 1.00 3.65 C +ATOM 639 N LEU E 223 -69.465 -25.807 34.561 1.00 3.50 N +ATOM 640 CA LEU E 223 -69.760 -24.698 33.654 1.00 3.52 C +ATOM 641 C LEU E 223 -71.120 -24.079 33.981 1.00 3.54 C +ATOM 642 O LEU E 223 -71.252 -22.857 34.030 1.00 3.51 O +ATOM 643 CB LEU E 223 -69.736 -25.161 32.193 1.00 3.49 C +ATOM 644 CG LEU E 223 -70.055 -24.098 31.132 1.00 3.39 C +ATOM 645 CD1 LEU E 223 -69.035 -22.967 31.178 1.00 3.07 C +ATOM 646 CD2 LEU E 223 -70.118 -24.720 29.741 1.00 2.92 C +ATOM 647 N THR E 224 -72.118 -24.932 34.212 1.00 3.58 N +ATOM 648 CA THR E 224 -73.477 -24.482 34.527 1.00 3.59 C +ATOM 649 C THR E 224 -73.509 -23.649 35.809 1.00 3.62 C +ATOM 650 O THR E 224 -74.119 -22.582 35.835 1.00 3.53 O +ATOM 651 CB THR E 224 -74.458 -25.673 34.656 1.00 3.60 C +ATOM 652 OG1 THR E 224 -74.465 -26.426 33.436 1.00 3.53 O +ATOM 653 CG2 THR E 224 -75.875 -25.186 34.941 1.00 3.56 C +ATOM 654 N ASP E 225 -72.843 -24.132 36.857 1.00 3.73 N +ATOM 655 CA ASP E 225 -72.768 -23.408 38.132 1.00 3.82 C +ATOM 656 C ASP E 225 -71.970 -22.114 37.996 1.00 3.83 C +ATOM 657 O ASP E 225 -72.342 -21.089 38.568 1.00 3.87 O +ATOM 658 CB ASP E 225 -72.153 -24.284 39.233 1.00 3.91 C +ATOM 659 CG ASP E 225 -73.126 -25.327 39.770 1.00 4.21 C +ATOM 660 OD1 ASP E 225 -74.272 -24.959 40.109 1.00 4.66 O +ATOM 661 OD2 ASP E 225 -72.744 -26.514 39.864 1.00 4.65 O +ATOM 662 N ALA E 226 -70.874 -22.172 37.243 1.00 3.87 N +ATOM 663 CA ALA E 226 -70.047 -20.994 36.971 1.00 3.82 C +ATOM 664 C ALA E 226 -70.844 -19.915 36.236 1.00 3.85 C +ATOM 665 O ALA E 226 -70.664 -18.722 36.489 1.00 3.86 O +ATOM 666 CB ALA E 226 -68.822 -21.387 36.160 1.00 3.81 C +ATOM 667 N GLN E 227 -71.718 -20.344 35.328 1.00 3.80 N +ATOM 668 CA GLN E 227 -72.619 -19.434 34.615 1.00 3.78 C +ATOM 669 C GLN E 227 -73.741 -18.937 35.530 1.00 3.74 C +ATOM 670 O GLN E 227 -74.200 -17.804 35.396 1.00 3.71 O +ATOM 671 CB GLN E 227 -73.194 -20.117 33.366 1.00 3.78 C +ATOM 672 CG GLN E 227 -72.168 -20.283 32.237 1.00 3.82 C +ATOM 673 CD GLN E 227 -72.635 -21.198 31.112 1.00 3.87 C +ATOM 674 OE1 GLN E 227 -73.671 -21.860 31.211 1.00 4.00 O +ATOM 675 NE2 GLN E 227 -71.864 -21.238 30.030 1.00 3.69 N +ATOM 676 N ARG E 228 -74.176 -19.793 36.452 1.00 3.74 N +ATOM 677 CA ARG E 228 -75.146 -19.409 37.481 1.00 3.72 C +ATOM 678 C ARG E 228 -74.550 -18.429 38.488 1.00 3.75 C +ATOM 679 O ARG E 228 -75.279 -17.659 39.116 1.00 3.84 O +ATOM 680 CB ARG E 228 -75.651 -20.633 38.243 1.00 3.74 C +ATOM 681 CG ARG E 228 -76.664 -21.483 37.504 1.00 3.57 C +ATOM 682 CD ARG E 228 -77.047 -22.672 38.361 1.00 3.35 C +ATOM 683 NE ARG E 228 -77.801 -22.251 39.541 1.00 3.17 N +ATOM 684 CZ ARG E 228 -77.791 -22.867 40.722 1.00 3.16 C +ATOM 685 NH1 ARG E 228 -77.053 -23.955 40.930 1.00 3.11 N +ATOM 686 NH2 ARG E 228 -78.526 -22.381 41.715 1.00 3.32 N +ATOM 687 N LEU E 229 -73.233 -18.472 38.658 1.00 3.72 N +ATOM 688 CA LEU E 229 -72.545 -17.543 39.544 1.00 3.64 C +ATOM 689 C LEU E 229 -72.290 -16.212 38.839 1.00 3.66 C +ATOM 690 O LEU E 229 -72.477 -15.148 39.429 1.00 3.71 O +ATOM 691 CB LEU E 229 -71.225 -18.147 40.026 1.00 3.61 C +ATOM 692 CG LEU E 229 -70.435 -17.348 41.067 1.00 3.48 C +ATOM 693 CD1 LEU E 229 -71.298 -16.995 42.268 1.00 3.33 C +ATOM 694 CD2 LEU E 229 -69.206 -18.131 41.499 1.00 3.24 C +ATOM 695 N CYS E 230 -71.872 -16.278 37.578 1.00 3.63 N +ATOM 696 CA CYS E 230 -71.485 -15.082 36.829 1.00 3.66 C +ATOM 697 C CYS E 230 -72.639 -14.101 36.587 1.00 3.65 C +ATOM 698 O CYS E 230 -72.467 -12.900 36.781 1.00 3.67 O +ATOM 699 CB CYS E 230 -70.814 -15.462 35.504 1.00 3.67 C +ATOM 700 SG CYS E 230 -69.094 -16.030 35.690 1.00 3.97 S +ATOM 701 N ASN E 231 -73.804 -14.600 36.176 1.00 3.65 N +ATOM 702 CA ASN E 231 -74.958 -13.720 35.915 1.00 3.62 C +ATOM 703 C ASN E 231 -75.487 -13.096 37.211 1.00 3.60 C +ATOM 704 O ASN E 231 -75.889 -11.933 37.231 1.00 3.57 O +ATOM 705 CB ASN E 231 -76.102 -14.446 35.180 1.00 3.62 C +ATOM 706 CG ASN E 231 -75.633 -15.194 33.943 1.00 3.52 C +ATOM 707 OD1 ASN E 231 -74.928 -14.643 33.099 1.00 3.88 O +ATOM 708 ND2 ASN E 231 -76.028 -16.454 33.830 1.00 3.13 N +ATOM 709 N ALA E 232 -75.482 -13.872 38.291 1.00 3.58 N +ATOM 710 CA ALA E 232 -75.903 -13.363 39.597 1.00 3.59 C +ATOM 711 C ALA E 232 -75.035 -12.180 40.028 1.00 3.63 C +ATOM 712 O ALA E 232 -75.540 -11.203 40.584 1.00 3.65 O +ATOM 713 CB ALA E 232 -75.854 -14.467 40.642 1.00 3.56 C +ATOM 714 N LEU E 233 -73.736 -12.271 39.750 1.00 3.63 N +ATOM 715 CA LEU E 233 -72.776 -11.235 40.131 1.00 3.68 C +ATOM 716 C LEU E 233 -72.733 -10.081 39.128 1.00 3.70 C +ATOM 717 O LEU E 233 -72.890 -8.920 39.507 1.00 3.74 O +ATOM 718 CB LEU E 233 -71.378 -11.841 40.285 1.00 3.67 C +ATOM 719 CG LEU E 233 -71.213 -12.849 41.427 1.00 3.65 C +ATOM 720 CD1 LEU E 233 -69.964 -13.689 41.223 1.00 3.71 C +ATOM 721 CD2 LEU E 233 -71.178 -12.147 42.775 1.00 3.51 C +ATOM 722 N LEU E 234 -72.523 -10.405 37.854 1.00 3.73 N +ATOM 723 CA LEU E 234 -72.321 -9.385 36.814 1.00 3.73 C +ATOM 724 C LEU E 234 -73.611 -8.751 36.269 1.00 3.76 C +ATOM 725 O LEU E 234 -73.539 -7.821 35.464 1.00 3.74 O +ATOM 726 CB LEU E 234 -71.481 -9.945 35.656 1.00 3.75 C +ATOM 727 CG LEU E 234 -69.982 -10.118 35.944 1.00 3.67 C +ATOM 728 CD1 LEU E 234 -69.716 -11.389 36.733 1.00 3.50 C +ATOM 729 CD2 LEU E 234 -69.175 -10.120 34.651 1.00 3.59 C +ATOM 730 N ARG E 235 -74.773 -9.248 36.697 1.00 3.85 N +ATOM 731 CA ARG E 235 -76.065 -8.640 36.340 1.00 3.88 C +ATOM 732 C ARG E 235 -76.884 -8.346 37.602 1.00 3.90 C +ATOM 733 O ARG E 235 -76.478 -8.708 38.707 1.00 3.88 O +ATOM 734 CB ARG E 235 -76.896 -9.550 35.419 1.00 3.91 C +ATOM 735 CG ARG E 235 -76.130 -10.578 34.605 1.00 4.05 C +ATOM 736 CD ARG E 235 -75.445 -10.009 33.390 1.00 4.24 C +ATOM 737 NE ARG E 235 -74.540 -11.010 32.826 1.00 4.50 N +ATOM 738 CZ ARG E 235 -73.525 -10.755 32.003 1.00 4.91 C +ATOM 739 NH1 ARG E 235 -73.251 -9.510 31.612 1.00 4.98 N +ATOM 740 NH2 ARG E 235 -72.769 -11.758 31.569 1.00 5.05 N +ATOM 741 N PRO E 236 -78.042 -7.677 37.439 1.00 3.96 N +ATOM 742 CA PRO E 236 -79.022 -7.575 38.522 1.00 3.97 C +ATOM 743 C PRO E 236 -79.609 -8.937 38.900 1.00 3.96 C +ATOM 744 O PRO E 236 -80.761 -9.021 39.332 1.00 4.00 O +ATOM 745 CB PRO E 236 -80.108 -6.664 37.929 1.00 3.98 C +ATOM 746 CG PRO E 236 -79.417 -5.876 36.887 1.00 3.99 C +ATOM 747 CD PRO E 236 -78.386 -6.794 36.309 1.00 3.97 C Added: SwiftApps/modFTdock/input/3eq5-6.pdb =================================================================== --- SwiftApps/modFTdock/input/3eq5-6.pdb (rev 0) +++ SwiftApps/modFTdock/input/3eq5-6.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,781 @@ +ATOM 1 N SER F 141 0.916 -28.812 -6.607 1.00 4.62 N +ATOM 2 CA SER F 141 -0.539 -28.599 -6.337 1.00 4.68 C +ATOM 3 C SER F 141 -1.285 -29.929 -6.164 1.00 4.56 C +ATOM 4 O SER F 141 -0.727 -31.007 -6.390 1.00 4.49 O +ATOM 5 CB SER F 141 -1.173 -27.783 -7.472 1.00 4.75 C +ATOM 6 OG SER F 141 -0.447 -26.588 -7.713 1.00 5.00 O +ATOM 7 N THR F 142 -2.547 -29.835 -5.755 1.00 4.50 N +ATOM 8 CA THR F 142 -3.410 -31.010 -5.575 1.00 4.43 C +ATOM 9 C THR F 142 -4.833 -30.543 -5.280 1.00 4.31 C +ATOM 10 O THR F 142 -5.307 -30.637 -4.146 1.00 4.46 O +ATOM 11 CB THR F 142 -2.906 -31.941 -4.434 1.00 4.48 C +ATOM 12 OG1 THR F 142 -3.854 -32.995 -4.212 1.00 4.49 O +ATOM 13 CG2 THR F 142 -2.699 -31.158 -3.132 1.00 4.44 C +ATOM 14 N GLU F 143 -5.499 -30.043 -6.317 1.00 4.14 N +ATOM 15 CA GLU F 143 -6.772 -29.319 -6.198 1.00 4.07 C +ATOM 16 C GLU F 143 -6.562 -27.983 -5.482 1.00 3.99 C +ATOM 17 O GLU F 143 -6.657 -26.922 -6.102 1.00 4.01 O +ATOM 18 CB GLU F 143 -7.870 -30.141 -5.496 1.00 4.09 C +ATOM 19 CG GLU F 143 -8.302 -31.393 -6.241 1.00 4.10 C +ATOM 20 CD GLU F 143 -9.512 -32.067 -5.610 1.00 4.12 C +ATOM 21 OE1 GLU F 143 -9.422 -33.273 -5.292 1.00 4.44 O +ATOM 22 OE2 GLU F 143 -10.551 -31.397 -5.430 1.00 3.94 O +ATOM 23 N LEU F 144 -6.266 -28.041 -4.185 1.00 3.89 N +ATOM 24 CA LEU F 144 -6.099 -26.834 -3.379 1.00 3.80 C +ATOM 25 C LEU F 144 -4.788 -26.109 -3.703 1.00 3.75 C +ATOM 26 O LEU F 144 -3.698 -26.650 -3.513 1.00 3.56 O +ATOM 27 CB LEU F 144 -6.161 -27.162 -1.883 1.00 3.74 C +ATOM 28 CG LEU F 144 -6.513 -25.980 -0.978 1.00 3.85 C +ATOM 29 CD1 LEU F 144 -7.966 -25.583 -1.179 1.00 4.05 C +ATOM 30 CD2 LEU F 144 -6.263 -26.309 0.479 1.00 4.01 C +ATOM 31 N THR F 145 -4.924 -24.891 -4.218 1.00 3.75 N +ATOM 32 CA THR F 145 -3.821 -23.950 -4.351 1.00 3.79 C +ATOM 33 C THR F 145 -4.143 -22.746 -3.465 1.00 3.76 C +ATOM 34 O THR F 145 -5.128 -22.764 -2.729 1.00 3.60 O +ATOM 35 CB THR F 145 -3.632 -23.503 -5.822 1.00 3.79 C +ATOM 36 OG1 THR F 145 -4.818 -22.849 -6.289 1.00 3.94 O +ATOM 37 CG2 THR F 145 -3.335 -24.699 -6.714 1.00 4.02 C +ATOM 38 N GLN F 146 -3.309 -21.713 -3.520 1.00 3.82 N +ATOM 39 CA GLN F 146 -3.552 -20.490 -2.759 1.00 3.84 C +ATOM 40 C GLN F 146 -3.312 -19.260 -3.629 1.00 3.71 C +ATOM 41 O GLN F 146 -2.492 -19.287 -4.546 1.00 3.62 O +ATOM 42 CB GLN F 146 -2.666 -20.447 -1.510 1.00 3.97 C +ATOM 43 CG GLN F 146 -2.837 -21.665 -0.588 1.00 4.43 C +ATOM 44 CD GLN F 146 -2.580 -21.359 0.882 1.00 4.82 C +ATOM 45 OE1 GLN F 146 -3.186 -20.453 1.456 1.00 5.56 O +ATOM 46 NE2 GLN F 146 -1.696 -22.130 1.501 1.00 5.08 N +ATOM 47 N THR F 147 -4.056 -18.195 -3.344 1.00 3.53 N +ATOM 48 CA THR F 147 -3.904 -16.917 -4.035 1.00 3.48 C +ATOM 49 C THR F 147 -3.923 -15.804 -2.993 1.00 3.36 C +ATOM 50 O THR F 147 -4.347 -16.020 -1.865 1.00 3.20 O +ATOM 51 CB THR F 147 -5.013 -16.702 -5.098 1.00 3.56 C +ATOM 52 OG1 THR F 147 -4.817 -15.445 -5.763 1.00 3.86 O +ATOM 53 CG2 THR F 147 -6.392 -16.734 -4.464 1.00 3.16 C +ATOM 54 N VAL F 148 -3.431 -14.629 -3.364 1.00 3.40 N +ATOM 55 CA VAL F 148 -3.333 -13.510 -2.434 1.00 3.46 C +ATOM 56 C VAL F 148 -4.479 -12.540 -2.658 1.00 3.64 C +ATOM 57 O VAL F 148 -4.797 -12.190 -3.797 1.00 3.86 O +ATOM 58 CB VAL F 148 -2.000 -12.750 -2.579 1.00 3.54 C +ATOM 59 CG1 VAL F 148 -1.955 -11.572 -1.612 1.00 3.54 C +ATOM 60 CG2 VAL F 148 -0.820 -13.687 -2.337 1.00 3.11 C +ATOM 61 N LEU F 149 -5.091 -12.120 -1.555 1.00 3.64 N +ATOM 62 CA LEU F 149 -6.185 -11.166 -1.562 1.00 3.61 C +ATOM 63 C LEU F 149 -6.002 -10.234 -0.371 1.00 3.69 C +ATOM 64 O LEU F 149 -5.934 -10.692 0.772 1.00 3.54 O +ATOM 65 CB LEU F 149 -7.515 -11.905 -1.440 1.00 3.67 C +ATOM 66 CG LEU F 149 -8.788 -11.066 -1.470 1.00 3.42 C +ATOM 67 CD1 LEU F 149 -8.959 -10.403 -2.837 1.00 3.37 C +ATOM 68 CD2 LEU F 149 -9.981 -11.945 -1.132 1.00 3.04 C +ATOM 69 N GLU F 150 -5.900 -8.936 -0.644 1.00 3.74 N +ATOM 70 CA GLU F 150 -5.721 -7.926 0.405 1.00 3.83 C +ATOM 71 C GLU F 150 -4.602 -8.302 1.375 1.00 3.77 C +ATOM 72 O GLU F 150 -4.791 -8.284 2.594 1.00 3.90 O +ATOM 73 CB GLU F 150 -7.029 -7.711 1.171 1.00 3.70 C +ATOM 74 CG GLU F 150 -8.165 -7.218 0.304 1.00 4.04 C +ATOM 75 CD GLU F 150 -7.968 -5.801 -0.198 1.00 4.37 C +ATOM 76 OE1 GLU F 150 -7.283 -5.001 0.473 1.00 4.56 O +ATOM 77 OE2 GLU F 150 -8.517 -5.483 -1.271 1.00 5.16 O +ATOM 78 N GLY F 151 -3.448 -8.655 0.821 1.00 3.68 N +ATOM 79 CA GLY F 151 -2.278 -9.024 1.617 1.00 3.68 C +ATOM 80 C GLY F 151 -2.418 -10.328 2.383 1.00 3.64 C +ATOM 81 O GLY F 151 -1.657 -10.588 3.313 1.00 3.84 O +ATOM 82 N GLU F 152 -3.365 -11.165 1.976 1.00 3.60 N +ATOM 83 CA GLU F 152 -3.732 -12.344 2.749 1.00 3.62 C +ATOM 84 C GLU F 152 -3.912 -13.554 1.834 1.00 3.57 C +ATOM 85 O GLU F 152 -4.601 -13.475 0.818 1.00 3.52 O +ATOM 86 CB GLU F 152 -5.022 -12.061 3.524 1.00 3.60 C +ATOM 87 CG GLU F 152 -5.007 -12.547 4.958 1.00 3.90 C +ATOM 88 CD GLU F 152 -4.091 -11.740 5.862 1.00 4.16 C +ATOM 89 OE1 GLU F 152 -3.334 -12.358 6.638 1.00 3.94 O +ATOM 90 OE2 GLU F 152 -4.130 -10.491 5.805 1.00 4.76 O +ATOM 91 N SER F 153 -3.285 -14.666 2.205 1.00 3.62 N +ATOM 92 CA SER F 153 -3.308 -15.889 1.407 1.00 3.57 C +ATOM 93 C SER F 153 -4.571 -16.698 1.681 1.00 3.52 C +ATOM 94 O SER F 153 -4.750 -17.206 2.787 1.00 3.48 O +ATOM 95 CB SER F 153 -2.081 -16.744 1.728 1.00 3.52 C +ATOM 96 OG SER F 153 -2.118 -17.975 1.027 1.00 3.57 O +ATOM 97 N ILE F 154 -5.429 -16.818 0.670 1.00 3.58 N +ATOM 98 CA ILE F 154 -6.692 -17.558 0.779 1.00 3.58 C +ATOM 99 C ILE F 154 -6.648 -18.821 -0.078 1.00 3.55 C +ATOM 100 O ILE F 154 -6.222 -18.782 -1.228 1.00 3.47 O +ATOM 101 CB ILE F 154 -7.897 -16.690 0.339 1.00 3.64 C +ATOM 102 CG1 ILE F 154 -8.271 -15.686 1.432 1.00 3.78 C +ATOM 103 CG2 ILE F 154 -9.117 -17.556 0.046 1.00 3.50 C +ATOM 104 CD1 ILE F 154 -7.252 -14.614 1.663 1.00 3.88 C +ATOM 105 N SER F 155 -7.101 -19.935 0.489 1.00 3.62 N +ATOM 106 CA SER F 155 -7.171 -21.205 -0.232 1.00 3.71 C +ATOM 107 C SER F 155 -8.169 -21.118 -1.378 1.00 3.68 C +ATOM 108 O SER F 155 -9.182 -20.422 -1.270 1.00 3.71 O +ATOM 109 CB SER F 155 -7.589 -22.332 0.713 1.00 3.77 C +ATOM 110 OG SER F 155 -6.674 -22.459 1.787 1.00 4.26 O +ATOM 111 N CYS F 156 -7.891 -21.826 -2.470 1.00 3.59 N +ATOM 112 CA CYS F 156 -8.794 -21.812 -3.619 1.00 3.68 C +ATOM 113 C CYS F 156 -8.672 -23.047 -4.504 1.00 3.51 C +ATOM 114 O CYS F 156 -7.658 -23.744 -4.485 1.00 3.46 O +ATOM 115 CB CYS F 156 -8.575 -20.547 -4.451 1.00 3.66 C +ATOM 116 SG CYS F 156 -6.925 -20.385 -5.128 1.00 4.43 S +ATOM 117 N PHE F 157 -9.733 -23.299 -5.269 1.00 3.45 N +ATOM 118 CA PHE F 157 -9.792 -24.402 -6.223 1.00 3.51 C +ATOM 119 C PHE F 157 -9.948 -23.855 -7.640 1.00 3.59 C +ATOM 120 O PHE F 157 -10.586 -22.819 -7.842 1.00 3.59 O +ATOM 121 CB PHE F 157 -10.990 -25.303 -5.930 1.00 3.50 C +ATOM 122 CG PHE F 157 -10.983 -25.916 -4.559 1.00 3.42 C +ATOM 123 CD1 PHE F 157 -11.845 -25.451 -3.571 1.00 3.16 C +ATOM 124 CD2 PHE F 157 -10.138 -26.978 -4.262 1.00 3.21 C +ATOM 125 CE1 PHE F 157 -11.853 -26.024 -2.308 1.00 2.86 C +ATOM 126 CE2 PHE F 157 -10.141 -27.556 -2.999 1.00 3.11 C +ATOM 127 CZ PHE F 157 -11.003 -27.075 -2.022 1.00 3.03 C +ATOM 128 N GLN F 158 -9.381 -24.561 -8.616 1.00 3.61 N +ATOM 129 CA GLN F 158 -9.570 -24.215 -10.023 1.00 3.75 C +ATOM 130 C GLN F 158 -10.840 -24.882 -10.553 1.00 3.77 C +ATOM 131 O GLN F 158 -10.917 -26.106 -10.643 1.00 3.77 O +ATOM 132 CB GLN F 158 -8.360 -24.640 -10.858 1.00 3.86 C +ATOM 133 CG GLN F 158 -8.391 -24.139 -12.313 1.00 4.26 C +ATOM 134 CD GLN F 158 -8.115 -22.647 -12.467 1.00 4.84 C +ATOM 135 OE1 GLN F 158 -8.316 -22.083 -13.545 1.00 5.22 O +ATOM 136 NE2 GLN F 158 -7.651 -22.004 -11.398 1.00 5.25 N +ATOM 137 N VAL F 159 -11.826 -24.060 -10.901 1.00 3.87 N +ATOM 138 CA VAL F 159 -13.129 -24.532 -11.362 1.00 3.93 C +ATOM 139 C VAL F 159 -13.519 -23.774 -12.624 1.00 3.93 C +ATOM 140 O VAL F 159 -13.598 -22.546 -12.616 1.00 3.94 O +ATOM 141 CB VAL F 159 -14.222 -24.296 -10.295 1.00 3.98 C +ATOM 142 CG1 VAL F 159 -15.552 -24.903 -10.737 1.00 4.02 C +ATOM 143 CG2 VAL F 159 -13.791 -24.862 -8.949 1.00 4.00 C +ATOM 144 N GLY F 160 -13.757 -24.510 -13.705 1.00 4.02 N +ATOM 145 CA GLY F 160 -14.134 -23.912 -14.990 1.00 4.10 C +ATOM 146 C GLY F 160 -13.187 -22.824 -15.472 1.00 4.13 C +ATOM 147 O GLY F 160 -13.623 -21.824 -16.050 1.00 4.19 O +ATOM 148 N GLY F 161 -11.891 -23.017 -15.231 1.00 4.10 N +ATOM 149 CA GLY F 161 -10.875 -22.028 -15.594 1.00 4.10 C +ATOM 150 C GLY F 161 -10.899 -20.744 -14.773 1.00 4.12 C +ATOM 151 O GLY F 161 -10.507 -19.683 -15.256 1.00 4.18 O +ATOM 152 N GLU F 162 -11.360 -20.819 -13.558 1.00 4.07 N +ATOM 153 CA GLU F 162 -11.371 -19.715 -12.603 1.00 4.08 C +ATOM 154 C GLU F 162 -10.944 -20.207 -11.225 1.00 4.01 C +ATOM 155 O GLU F 162 -11.347 -21.296 -10.801 1.00 3.90 O +ATOM 156 CB GLU F 162 -12.767 -19.095 -12.519 1.00 4.16 C +ATOM 157 CG GLU F 162 -13.187 -18.329 -13.769 1.00 4.45 C +ATOM 158 CD GLU F 162 -14.610 -17.797 -13.687 1.00 4.86 C +ATOM 159 OE1 GLU F 162 -15.347 -18.188 -12.758 1.00 4.94 O +ATOM 160 OE2 GLU F 162 -14.993 -16.989 -14.559 1.00 5.24 O +ATOM 161 N LYS F 163 -10.117 -19.387 -10.543 1.00 4.01 N +ATOM 162 CA LYS F 163 -9.731 -19.647 -9.155 1.00 4.01 C +ATOM 163 C LYS F 163 -10.907 -19.295 -8.249 1.00 3.95 C +ATOM 164 O LYS F 163 -11.341 -18.145 -8.195 1.00 3.95 O +ATOM 165 CB LYS F 163 -8.495 -18.831 -8.749 1.00 3.99 C +ATOM 166 CG LYS F 163 -7.214 -19.169 -9.530 1.00 4.24 C +ATOM 167 CD LYS F 163 -6.041 -18.284 -9.102 1.00 4.22 C +ATOM 168 CE LYS F 163 -4.833 -18.429 -10.026 1.00 4.50 C +ATOM 169 NZ LYS F 163 -4.139 -19.744 -9.887 1.00 4.62 N +ATOM 170 N ARG F 164 -11.417 -20.299 -7.545 1.00 3.92 N +ATOM 171 CA ARG F 164 -12.567 -20.138 -6.662 1.00 3.92 C +ATOM 172 C ARG F 164 -12.104 -20.120 -5.204 1.00 3.86 C +ATOM 173 O ARG F 164 -11.734 -21.152 -4.652 1.00 3.87 O +ATOM 174 CB ARG F 164 -13.562 -21.279 -6.894 1.00 3.93 C +ATOM 175 CG ARG F 164 -14.345 -21.182 -8.201 1.00 4.01 C +ATOM 176 CD ARG F 164 -15.570 -20.281 -8.071 1.00 4.32 C +ATOM 177 NE ARG F 164 -16.348 -20.215 -9.312 1.00 4.46 N +ATOM 178 CZ ARG F 164 -17.490 -19.542 -9.459 1.00 4.69 C +ATOM 179 NH1 ARG F 164 -18.109 -19.548 -10.632 1.00 4.84 N +ATOM 180 NH2 ARG F 164 -18.022 -18.863 -8.441 1.00 4.63 N +ATOM 181 N LEU F 165 -12.137 -18.940 -4.590 1.00 3.80 N +ATOM 182 CA LEU F 165 -11.628 -18.750 -3.231 1.00 3.71 C +ATOM 183 C LEU F 165 -12.621 -19.233 -2.174 1.00 3.74 C +ATOM 184 O LEU F 165 -13.830 -19.185 -2.377 1.00 3.84 O +ATOM 185 CB LEU F 165 -11.284 -17.277 -2.987 1.00 3.64 C +ATOM 186 CG LEU F 165 -10.037 -16.738 -3.696 1.00 3.37 C +ATOM 187 CD1 LEU F 165 -10.231 -16.617 -5.204 1.00 2.89 C +ATOM 188 CD2 LEU F 165 -9.666 -15.395 -3.110 1.00 3.35 C +ATOM 189 N CYS F 166 -12.092 -19.697 -1.047 1.00 3.84 N +ATOM 190 CA CYS F 166 -12.903 -20.170 0.069 1.00 4.05 C +ATOM 191 C CYS F 166 -13.552 -18.966 0.750 1.00 4.11 C +ATOM 192 O CYS F 166 -12.847 -18.112 1.291 1.00 4.22 O +ATOM 193 CB CYS F 166 -12.027 -20.933 1.066 1.00 4.03 C +ATOM 194 SG CYS F 166 -12.907 -21.541 2.523 1.00 4.84 S +ATOM 195 N LEU F 167 -14.884 -18.894 0.715 1.00 4.04 N +ATOM 196 CA LEU F 167 -15.590 -17.693 1.177 1.00 4.08 C +ATOM 197 C LEU F 167 -15.489 -17.490 2.690 1.00 4.09 C +ATOM 198 O LEU F 167 -15.199 -16.379 3.136 1.00 4.06 O +ATOM 199 CB LEU F 167 -17.059 -17.682 0.726 1.00 4.08 C +ATOM 200 CG LEU F 167 -17.799 -16.350 0.930 1.00 4.36 C +ATOM 201 CD1 LEU F 167 -17.102 -15.221 0.163 1.00 4.42 C +ATOM 202 CD2 LEU F 167 -19.265 -16.452 0.524 1.00 3.73 C +ATOM 203 N PRO F 168 -15.731 -18.550 3.489 1.00 4.09 N +ATOM 204 CA PRO F 168 -15.554 -18.378 4.935 1.00 4.03 C +ATOM 205 C PRO F 168 -14.140 -17.944 5.341 1.00 4.06 C +ATOM 206 O PRO F 168 -13.989 -17.247 6.348 1.00 4.11 O +ATOM 207 CB PRO F 168 -15.886 -19.764 5.500 1.00 3.97 C +ATOM 208 CG PRO F 168 -16.806 -20.363 4.500 1.00 3.98 C +ATOM 209 CD PRO F 168 -16.316 -19.867 3.169 1.00 4.06 C +ATOM 210 N GLN F 169 -13.124 -18.342 4.572 1.00 3.91 N +ATOM 211 CA GLN F 169 -11.753 -17.911 4.840 1.00 3.87 C +ATOM 212 C GLN F 169 -11.596 -16.424 4.512 1.00 3.87 C +ATOM 213 O GLN F 169 -10.986 -15.672 5.281 1.00 3.82 O +ATOM 214 CB GLN F 169 -10.730 -18.750 4.050 1.00 3.94 C +ATOM 215 CG GLN F 169 -9.269 -18.469 4.442 1.00 4.03 C +ATOM 216 CD GLN F 169 -8.266 -19.488 3.893 1.00 4.60 C +ATOM 217 OE1 GLN F 169 -8.445 -20.043 2.807 1.00 4.83 O +ATOM 218 NE2 GLN F 169 -7.190 -19.717 4.643 1.00 4.16 N +ATOM 219 N VAL F 170 -12.143 -16.010 3.369 1.00 3.84 N +ATOM 220 CA VAL F 170 -12.093 -14.608 2.947 1.00 3.82 C +ATOM 221 C VAL F 170 -12.678 -13.718 4.031 1.00 3.82 C +ATOM 222 O VAL F 170 -12.108 -12.679 4.372 1.00 3.70 O +ATOM 223 CB VAL F 170 -12.894 -14.363 1.654 1.00 3.84 C +ATOM 224 CG1 VAL F 170 -12.912 -12.876 1.308 1.00 3.86 C +ATOM 225 CG2 VAL F 170 -12.320 -15.168 0.505 1.00 3.93 C +ATOM 226 N LEU F 171 -13.821 -14.154 4.559 1.00 3.93 N +ATOM 227 CA LEU F 171 -14.545 -13.465 5.630 1.00 3.84 C +ATOM 228 C LEU F 171 -13.717 -13.328 6.910 1.00 3.81 C +ATOM 229 O LEU F 171 -13.665 -12.255 7.503 1.00 3.72 O +ATOM 230 CB LEU F 171 -15.834 -14.231 5.940 1.00 3.89 C +ATOM 231 CG LEU F 171 -16.897 -13.516 6.776 1.00 4.17 C +ATOM 232 CD1 LEU F 171 -17.647 -12.500 5.921 1.00 4.08 C +ATOM 233 CD2 LEU F 171 -17.867 -14.526 7.376 1.00 4.49 C +ATOM 234 N ASN F 172 -13.079 -14.418 7.331 1.00 3.91 N +ATOM 235 CA ASN F 172 -12.296 -14.442 8.575 1.00 4.14 C +ATOM 236 C ASN F 172 -10.922 -13.772 8.460 1.00 4.22 C +ATOM 237 O ASN F 172 -10.334 -13.371 9.469 1.00 4.29 O +ATOM 238 CB ASN F 172 -12.091 -15.884 9.055 1.00 4.26 C +ATOM 239 CG ASN F 172 -13.400 -16.600 9.374 1.00 5.18 C +ATOM 240 OD1 ASN F 172 -14.376 -15.995 9.841 1.00 5.63 O +ATOM 241 ND2 ASN F 172 -13.420 -17.910 9.128 1.00 6.18 N +ATOM 242 N SER F 173 -10.403 -13.669 7.241 1.00 4.19 N +ATOM 243 CA SER F 173 -9.062 -13.142 7.022 1.00 4.23 C +ATOM 244 C SER F 173 -9.057 -11.680 6.580 1.00 4.11 C +ATOM 245 O SER F 173 -8.285 -10.874 7.106 1.00 4.22 O +ATOM 246 CB SER F 173 -8.333 -14.005 5.997 1.00 4.32 C +ATOM 247 OG SER F 173 -8.167 -15.324 6.487 1.00 4.93 O +ATOM 248 N VAL F 174 -9.919 -11.343 5.626 1.00 3.99 N +ATOM 249 CA VAL F 174 -9.919 -10.015 5.010 1.00 3.94 C +ATOM 250 C VAL F 174 -11.120 -9.143 5.403 1.00 3.97 C +ATOM 251 O VAL F 174 -10.959 -7.950 5.642 1.00 4.07 O +ATOM 252 CB VAL F 174 -9.861 -10.135 3.473 1.00 4.03 C +ATOM 253 CG1 VAL F 174 -9.910 -8.758 2.818 1.00 4.00 C +ATOM 254 CG2 VAL F 174 -8.609 -10.884 3.057 1.00 3.52 C +ATOM 255 N LEU F 175 -12.312 -9.735 5.460 1.00 3.98 N +ATOM 256 CA LEU F 175 -13.549 -8.989 5.724 1.00 3.91 C +ATOM 257 C LEU F 175 -14.034 -9.203 7.164 1.00 3.97 C +ATOM 258 O LEU F 175 -15.203 -9.499 7.410 1.00 3.80 O +ATOM 259 CB LEU F 175 -14.626 -9.392 4.711 1.00 3.89 C +ATOM 260 CG LEU F 175 -14.248 -9.175 3.240 1.00 3.65 C +ATOM 261 CD1 LEU F 175 -15.343 -9.685 2.309 1.00 3.20 C +ATOM 262 CD2 LEU F 175 -13.959 -7.706 2.971 1.00 3.40 C +ATOM 263 N ARG F 176 -13.110 -9.014 8.104 1.00 4.15 N +ATOM 264 CA ARG F 176 -13.313 -9.315 9.534 1.00 4.09 C +ATOM 265 C ARG F 176 -14.394 -8.487 10.216 1.00 4.09 C +ATOM 266 O ARG F 176 -14.944 -8.910 11.233 1.00 4.18 O +ATOM 267 CB ARG F 176 -11.994 -9.120 10.308 1.00 4.18 C +ATOM 268 CG ARG F 176 -11.264 -10.414 10.705 1.00 4.33 C +ATOM 269 CD ARG F 176 -9.787 -10.397 10.295 1.00 3.98 C +ATOM 270 NE ARG F 176 -9.076 -9.195 10.735 1.00 3.77 N +ATOM 271 CZ ARG F 176 -7.936 -8.749 10.203 1.00 3.87 C +ATOM 272 NH1 ARG F 176 -7.346 -9.399 9.201 1.00 4.13 N +ATOM 273 NH2 ARG F 176 -7.373 -7.642 10.675 1.00 3.61 N +ATOM 274 N GLU F 177 -14.684 -7.307 9.676 1.00 4.07 N +ATOM 275 CA GLU F 177 -15.666 -6.404 10.289 1.00 4.06 C +ATOM 276 C GLU F 177 -17.111 -6.848 10.028 1.00 3.87 C +ATOM 277 O GLU F 177 -18.033 -6.384 10.698 1.00 3.78 O +ATOM 278 CB GLU F 177 -15.475 -4.971 9.777 1.00 4.18 C +ATOM 279 CG GLU F 177 -14.050 -4.419 9.889 1.00 4.83 C +ATOM 280 CD GLU F 177 -13.518 -4.399 11.315 1.00 6.05 C +ATOM 281 OE1 GLU F 177 -12.319 -4.730 11.505 1.00 6.39 O +ATOM 282 OE2 GLU F 177 -14.293 -4.052 12.243 1.00 6.09 O +ATOM 283 N PHE F 178 -17.295 -7.750 9.066 1.00 3.76 N +ATOM 284 CA PHE F 178 -18.621 -8.128 8.585 1.00 3.76 C +ATOM 285 C PHE F 178 -18.981 -9.571 8.893 1.00 3.69 C +ATOM 286 O PHE F 178 -18.123 -10.386 9.215 1.00 3.81 O +ATOM 287 CB PHE F 178 -18.691 -7.918 7.075 1.00 3.70 C +ATOM 288 CG PHE F 178 -18.243 -6.558 6.640 1.00 3.75 C +ATOM 289 CD1 PHE F 178 -19.118 -5.479 6.680 1.00 3.85 C +ATOM 290 CD2 PHE F 178 -16.941 -6.350 6.209 1.00 3.42 C +ATOM 291 CE1 PHE F 178 -18.699 -4.215 6.287 1.00 3.87 C +ATOM 292 CE2 PHE F 178 -16.515 -5.091 5.813 1.00 3.39 C +ATOM 293 CZ PHE F 178 -17.390 -4.024 5.851 1.00 3.57 C +ATOM 294 N THR F 179 -20.267 -9.870 8.773 1.00 3.70 N +ATOM 295 CA THR F 179 -20.783 -11.225 8.936 1.00 3.64 C +ATOM 296 C THR F 179 -20.993 -11.880 7.575 1.00 3.76 C +ATOM 297 O THR F 179 -20.946 -11.215 6.537 1.00 3.68 O +ATOM 298 CB THR F 179 -22.143 -11.215 9.635 1.00 3.52 C +ATOM 299 OG1 THR F 179 -23.105 -10.608 8.767 1.00 3.20 O +ATOM 300 CG2 THR F 179 -22.072 -10.445 10.943 1.00 3.21 C +ATOM 301 N LEU F 180 -21.262 -13.182 7.597 1.00 3.80 N +ATOM 302 CA LEU F 180 -21.563 -13.932 6.380 1.00 3.74 C +ATOM 303 C LEU F 180 -22.863 -13.430 5.731 1.00 3.77 C +ATOM 304 O LEU F 180 -22.926 -13.264 4.515 1.00 3.80 O +ATOM 305 CB LEU F 180 -21.647 -15.431 6.690 1.00 3.69 C +ATOM 306 CG LEU F 180 -21.607 -16.406 5.510 1.00 3.58 C +ATOM 307 CD1 LEU F 180 -20.365 -16.194 4.652 1.00 3.05 C +ATOM 308 CD2 LEU F 180 -21.668 -17.839 6.018 1.00 3.10 C +ATOM 309 N GLN F 181 -23.883 -13.174 6.547 1.00 3.80 N +ATOM 310 CA GLN F 181 -25.159 -12.632 6.058 1.00 3.94 C +ATOM 311 C GLN F 181 -24.943 -11.342 5.261 1.00 3.83 C +ATOM 312 O GLN F 181 -25.398 -11.220 4.122 1.00 3.80 O +ATOM 313 CB GLN F 181 -26.112 -12.371 7.233 1.00 4.07 C +ATOM 314 CG GLN F 181 -27.420 -11.678 6.861 1.00 4.74 C +ATOM 315 CD GLN F 181 -28.247 -11.275 8.079 1.00 6.00 C +ATOM 316 OE1 GLN F 181 -28.952 -10.259 8.060 1.00 6.66 O +ATOM 317 NE2 GLN F 181 -28.166 -12.073 9.145 1.00 6.40 N +ATOM 318 N GLN F 182 -24.249 -10.388 5.872 1.00 3.72 N +ATOM 319 CA GLN F 182 -23.908 -9.131 5.211 1.00 3.73 C +ATOM 320 C GLN F 182 -23.162 -9.365 3.891 1.00 3.79 C +ATOM 321 O GLN F 182 -23.529 -8.794 2.859 1.00 3.95 O +ATOM 322 CB GLN F 182 -23.074 -8.244 6.144 1.00 3.71 C +ATOM 323 CG GLN F 182 -23.868 -7.677 7.319 1.00 3.51 C +ATOM 324 CD GLN F 182 -23.021 -6.856 8.271 1.00 3.35 C +ATOM 325 OE1 GLN F 182 -21.844 -7.143 8.480 1.00 4.01 O +ATOM 326 NE2 GLN F 182 -23.621 -5.828 8.861 1.00 2.60 N +ATOM 327 N ILE F 183 -22.134 -10.211 3.925 1.00 3.63 N +ATOM 328 CA ILE F 183 -21.378 -10.553 2.714 1.00 3.70 C +ATOM 329 C ILE F 183 -22.269 -11.172 1.631 1.00 3.71 C +ATOM 330 O ILE F 183 -22.109 -10.859 0.449 1.00 3.83 O +ATOM 331 CB ILE F 183 -20.163 -11.491 3.014 1.00 3.66 C +ATOM 332 CG1 ILE F 183 -18.883 -10.676 3.193 1.00 3.71 C +ATOM 333 CG2 ILE F 183 -19.913 -12.461 1.877 1.00 3.48 C +ATOM 334 CD1 ILE F 183 -18.954 -9.640 4.273 1.00 3.36 C +ATOM 335 N ASN F 184 -23.192 -12.044 2.033 1.00 3.69 N +ATOM 336 CA ASN F 184 -24.121 -12.677 1.089 1.00 3.80 C +ATOM 337 C ASN F 184 -25.043 -11.665 0.397 1.00 3.85 C +ATOM 338 O ASN F 184 -25.257 -11.745 -0.817 1.00 3.89 O +ATOM 339 CB ASN F 184 -24.973 -13.750 1.785 1.00 3.81 C +ATOM 340 CG ASN F 184 -24.190 -15.015 2.111 1.00 3.88 C +ATOM 341 OD1 ASN F 184 -23.269 -15.401 1.397 1.00 4.65 O +ATOM 342 ND2 ASN F 184 -24.571 -15.674 3.195 1.00 4.56 N +ATOM 343 N THR F 185 -25.579 -10.719 1.166 1.00 3.84 N +ATOM 344 CA THR F 185 -26.475 -9.699 0.615 1.00 3.89 C +ATOM 345 C THR F 185 -25.717 -8.693 -0.261 1.00 3.85 C +ATOM 346 O THR F 185 -26.258 -8.204 -1.249 1.00 3.89 O +ATOM 347 CB THR F 185 -27.247 -8.937 1.716 1.00 3.88 C +ATOM 348 OG1 THR F 185 -26.323 -8.213 2.532 1.00 4.31 O +ATOM 349 CG2 THR F 185 -28.058 -9.901 2.585 1.00 3.74 C +ATOM 350 N VAL F 186 -24.474 -8.382 0.097 1.00 3.73 N +ATOM 351 CA VAL F 186 -23.645 -7.520 -0.743 1.00 3.71 C +ATOM 352 C VAL F 186 -23.345 -8.219 -2.076 1.00 3.86 C +ATOM 353 O VAL F 186 -23.418 -7.596 -3.140 1.00 3.94 O +ATOM 354 CB VAL F 186 -22.336 -7.123 -0.034 1.00 3.80 C +ATOM 355 CG1 VAL F 186 -21.370 -6.443 -1.002 1.00 3.30 C +ATOM 356 CG2 VAL F 186 -22.644 -6.216 1.147 1.00 3.54 C +ATOM 357 N CYS F 187 -23.028 -9.513 -2.012 1.00 3.89 N +ATOM 358 CA CYS F 187 -22.870 -10.336 -3.221 1.00 3.89 C +ATOM 359 C CYS F 187 -24.154 -10.336 -4.066 1.00 3.75 C +ATOM 360 O CYS F 187 -24.092 -10.361 -5.295 1.00 3.68 O +ATOM 361 CB CYS F 187 -22.467 -11.781 -2.870 1.00 3.91 C +ATOM 362 SG CYS F 187 -20.718 -12.027 -2.405 1.00 4.24 S +ATOM 363 N ASP F 188 -25.308 -10.314 -3.404 1.00 3.65 N +ATOM 364 CA ASP F 188 -26.592 -10.207 -4.098 1.00 3.58 C +ATOM 365 C ASP F 188 -26.676 -8.880 -4.867 1.00 3.52 C +ATOM 366 O ASP F 188 -27.061 -8.857 -6.035 1.00 3.43 O +ATOM 367 CB ASP F 188 -27.745 -10.327 -3.097 1.00 3.68 C +ATOM 368 CG ASP F 188 -29.104 -10.421 -3.765 1.00 3.62 C +ATOM 369 OD1 ASP F 188 -29.995 -9.640 -3.390 1.00 3.76 O +ATOM 370 OD2 ASP F 188 -29.289 -11.272 -4.657 1.00 4.25 O +ATOM 371 N GLU F 189 -26.285 -7.790 -4.209 1.00 3.45 N +ATOM 372 CA GLU F 189 -26.267 -6.453 -4.817 1.00 3.34 C +ATOM 373 C GLU F 189 -25.286 -6.353 -5.985 1.00 3.23 C +ATOM 374 O GLU F 189 -25.578 -5.740 -7.009 1.00 3.09 O +ATOM 375 CB GLU F 189 -25.875 -5.399 -3.776 1.00 3.35 C +ATOM 376 CG GLU F 189 -26.853 -5.231 -2.619 1.00 3.13 C +ATOM 377 CD GLU F 189 -26.220 -4.584 -1.393 1.00 2.63 C +ATOM 378 OE1 GLU F 189 -25.132 -3.986 -1.509 1.00 2.38 O +ATOM 379 OE2 GLU F 189 -26.821 -4.673 -0.306 1.00 2.57 O +ATOM 380 N LEU F 190 -24.112 -6.952 -5.816 1.00 3.24 N +ATOM 381 CA LEU F 190 -23.052 -6.871 -6.825 1.00 3.15 C +ATOM 382 C LEU F 190 -23.240 -7.842 -7.997 1.00 3.11 C +ATOM 383 O LEU F 190 -22.415 -7.870 -8.906 1.00 3.04 O +ATOM 384 CB LEU F 190 -21.688 -7.108 -6.171 1.00 3.07 C +ATOM 385 CG LEU F 190 -21.239 -6.068 -5.144 1.00 2.87 C +ATOM 386 CD1 LEU F 190 -19.994 -6.547 -4.418 1.00 2.71 C +ATOM 387 CD2 LEU F 190 -20.989 -4.725 -5.797 1.00 2.46 C +ATOM 388 N TYR F 191 -24.323 -8.620 -7.979 1.00 3.18 N +ATOM 389 CA TYR F 191 -24.577 -9.652 -8.991 1.00 3.17 C +ATOM 390 C TYR F 191 -23.454 -10.698 -8.990 1.00 3.17 C +ATOM 391 O TYR F 191 -23.036 -11.187 -10.040 1.00 3.11 O +ATOM 392 CB TYR F 191 -24.765 -9.028 -10.384 1.00 3.12 C +ATOM 393 CG TYR F 191 -25.452 -9.931 -11.389 1.00 2.95 C +ATOM 394 CD1 TYR F 191 -24.759 -10.443 -12.483 1.00 2.84 C +ATOM 395 CD2 TYR F 191 -26.795 -10.273 -11.246 1.00 3.01 C +ATOM 396 CE1 TYR F 191 -25.382 -11.271 -13.408 1.00 2.64 C +ATOM 397 CE2 TYR F 191 -27.428 -11.100 -12.167 1.00 2.88 C +ATOM 398 CZ TYR F 191 -26.715 -11.595 -13.245 1.00 2.70 C +ATOM 399 OH TYR F 191 -27.334 -12.413 -14.163 1.00 2.37 O +ATOM 400 N ILE F 192 -22.973 -11.025 -7.793 1.00 3.22 N +ATOM 401 CA ILE F 192 -21.954 -12.054 -7.612 1.00 3.28 C +ATOM 402 C ILE F 192 -22.618 -13.371 -7.234 1.00 3.35 C +ATOM 403 O ILE F 192 -23.428 -13.423 -6.306 1.00 3.37 O +ATOM 404 CB ILE F 192 -20.948 -11.674 -6.516 1.00 3.26 C +ATOM 405 CG1 ILE F 192 -20.120 -10.466 -6.954 1.00 3.19 C +ATOM 406 CG2 ILE F 192 -20.033 -12.851 -6.201 1.00 3.09 C +ATOM 407 CD1 ILE F 192 -19.182 -9.951 -5.887 1.00 2.86 C +ATOM 408 N TYR F 193 -22.271 -14.428 -7.963 1.00 3.44 N +ATOM 409 CA TYR F 193 -22.785 -15.764 -7.697 1.00 3.51 C +ATOM 410 C TYR F 193 -21.686 -16.606 -7.067 1.00 3.54 C +ATOM 411 O TYR F 193 -20.617 -16.772 -7.650 1.00 3.34 O +ATOM 412 CB TYR F 193 -23.271 -16.431 -8.988 1.00 3.51 C +ATOM 413 CG TYR F 193 -23.601 -17.902 -8.825 1.00 3.50 C +ATOM 414 CD1 TYR F 193 -22.694 -18.889 -9.210 1.00 3.35 C +ATOM 415 CD2 TYR F 193 -24.816 -18.305 -8.272 1.00 3.58 C +ATOM 416 CE1 TYR F 193 -22.990 -20.239 -9.056 1.00 3.55 C +ATOM 417 CE2 TYR F 193 -25.124 -19.650 -8.115 1.00 3.67 C +ATOM 418 CZ TYR F 193 -24.209 -20.612 -8.509 1.00 3.85 C +ATOM 419 OH TYR F 193 -24.513 -21.945 -8.351 1.00 4.16 O +ATOM 420 N CYS F 194 -21.966 -17.135 -5.880 1.00 3.68 N +ATOM 421 CA CYS F 194 -21.040 -18.015 -5.180 1.00 3.74 C +ATOM 422 C CYS F 194 -21.534 -19.452 -5.272 1.00 3.75 C +ATOM 423 O CYS F 194 -22.591 -19.794 -4.739 1.00 3.73 O +ATOM 424 CB CYS F 194 -20.912 -17.597 -3.717 1.00 3.76 C +ATOM 425 SG CYS F 194 -20.190 -15.954 -3.486 1.00 4.05 S +ATOM 426 N SER F 195 -20.768 -20.285 -5.966 1.00 3.76 N +ATOM 427 CA SER F 195 -21.082 -21.704 -6.078 1.00 3.81 C +ATOM 428 C SER F 195 -20.749 -22.412 -4.774 1.00 3.79 C +ATOM 429 O SER F 195 -19.903 -21.945 -4.012 1.00 3.85 O +ATOM 430 CB SER F 195 -20.277 -22.339 -7.214 1.00 3.85 C +ATOM 431 OG SER F 195 -18.885 -22.229 -6.974 1.00 3.77 O +ATOM 432 N AARG F 196 -21.412 -23.535 -4.523 0.50 3.78 N +ATOM 433 N BARG F 196 -21.430 -23.528 -4.520 0.50 3.76 N +ATOM 434 CA AARG F 196 -21.112 -24.354 -3.355 0.50 3.76 C +ATOM 435 CA BARG F 196 -21.124 -24.385 -3.378 0.50 3.72 C +ATOM 436 C AARG F 196 -20.023 -25.361 -3.714 0.50 3.74 C +ATOM 437 C BARG F 196 -19.972 -25.311 -3.743 0.50 3.72 C +ATOM 438 O AARG F 196 -19.985 -25.872 -4.834 0.50 3.70 O +ATOM 439 O BARG F 196 -19.843 -25.723 -4.897 0.50 3.67 O +ATOM 440 CB AARG F 196 -22.373 -25.066 -2.869 0.50 3.79 C +ATOM 441 CB BARG F 196 -22.332 -25.236 -2.984 0.50 3.74 C +ATOM 442 CG AARG F 196 -22.250 -25.651 -1.472 0.50 3.87 C +ATOM 443 CG BARG F 196 -23.648 -24.490 -2.878 0.50 3.70 C +ATOM 444 CD AARG F 196 -23.513 -25.402 -0.662 0.50 3.92 C +ATOM 445 CD BARG F 196 -24.572 -25.186 -1.889 0.50 3.74 C +ATOM 446 NE AARG F 196 -23.633 -24.000 -0.269 0.50 3.82 N +ATOM 447 NE BARG F 196 -24.162 -26.568 -1.638 0.50 3.77 N +ATOM 448 CZ AARG F 196 -24.687 -23.486 0.355 0.50 3.85 C +ATOM 449 CZ BARG F 196 -24.748 -27.638 -2.167 0.50 3.74 C +ATOM 450 NH1AARG F 196 -25.724 -24.256 0.657 0.50 3.85 N +ATOM 451 NH1BARG F 196 -25.785 -27.497 -2.981 0.50 3.87 N +ATOM 452 NH2AARG F 196 -24.704 -22.199 0.674 0.50 3.86 N +ATOM 453 NH2BARG F 196 -24.298 -28.851 -1.876 0.50 3.59 N +ATOM 454 N CYS F 197 -19.136 -25.637 -2.762 1.00 3.71 N +ATOM 455 CA CYS F 197 -18.026 -26.559 -2.986 1.00 3.77 C +ATOM 456 C CYS F 197 -18.543 -27.989 -2.996 1.00 3.67 C +ATOM 457 O CYS F 197 -19.592 -28.284 -2.418 1.00 3.62 O +ATOM 458 CB CYS F 197 -16.961 -26.401 -1.902 1.00 3.82 C +ATOM 459 SG CYS F 197 -17.505 -26.957 -0.282 1.00 4.49 S +ATOM 460 N THR F 198 -17.801 -28.870 -3.658 1.00 3.59 N +ATOM 461 CA THR F 198 -18.172 -30.278 -3.754 1.00 3.51 C +ATOM 462 C THR F 198 -17.800 -31.023 -2.477 1.00 3.52 C +ATOM 463 O THR F 198 -17.045 -30.513 -1.644 1.00 3.43 O +ATOM 464 CB THR F 198 -17.474 -30.961 -4.946 1.00 3.49 C +ATOM 465 OG1 THR F 198 -16.056 -30.810 -4.821 1.00 3.42 O +ATOM 466 CG2 THR F 198 -17.926 -30.347 -6.260 1.00 3.30 C +ATOM 467 N SER F 199 -18.338 -32.233 -2.340 1.00 3.57 N +ATOM 468 CA SER F 199 -18.025 -33.118 -1.212 1.00 3.61 C +ATOM 469 C SER F 199 -16.517 -33.277 -1.021 1.00 3.59 C +ATOM 470 O SER F 199 -16.010 -33.149 0.093 1.00 3.55 O +ATOM 471 CB SER F 199 -18.662 -34.495 -1.428 1.00 3.64 C +ATOM 472 OG SER F 199 -18.118 -35.466 -0.547 1.00 3.79 O +ATOM 473 N ASP F 200 -15.815 -33.560 -2.115 1.00 3.62 N +ATOM 474 CA ASP F 200 -14.358 -33.716 -2.093 1.00 3.67 C +ATOM 475 C ASP F 200 -13.644 -32.428 -1.678 1.00 3.58 C +ATOM 476 O ASP F 200 -12.652 -32.474 -0.956 1.00 3.58 O +ATOM 477 CB ASP F 200 -13.837 -34.174 -3.466 1.00 3.71 C +ATOM 478 CG ASP F 200 -14.230 -35.608 -3.803 1.00 3.87 C +ATOM 479 OD1 ASP F 200 -14.563 -35.870 -4.979 1.00 4.41 O +ATOM 480 OD2 ASP F 200 -14.205 -36.476 -2.905 1.00 3.93 O +ATOM 481 N GLN F 201 -14.149 -31.287 -2.139 1.00 3.50 N +ATOM 482 CA GLN F 201 -13.548 -29.989 -1.819 1.00 3.47 C +ATOM 483 C GLN F 201 -13.750 -29.610 -0.354 1.00 3.46 C +ATOM 484 O GLN F 201 -12.857 -29.042 0.277 1.00 3.44 O +ATOM 485 CB GLN F 201 -14.114 -28.895 -2.728 1.00 3.41 C +ATOM 486 CG GLN F 201 -13.566 -28.948 -4.148 1.00 3.43 C +ATOM 487 CD GLN F 201 -14.272 -28.005 -5.102 1.00 3.33 C +ATOM 488 OE1 GLN F 201 -15.396 -27.571 -4.852 1.00 3.48 O +ATOM 489 NE2 GLN F 201 -13.613 -27.688 -6.212 1.00 3.20 N +ATOM 490 N LEU F 202 -14.927 -29.922 0.179 1.00 3.50 N +ATOM 491 CA LEU F 202 -15.220 -29.685 1.591 1.00 3.47 C +ATOM 492 C LEU F 202 -14.333 -30.557 2.476 1.00 3.52 C +ATOM 493 O LEU F 202 -13.908 -30.128 3.548 1.00 3.48 O +ATOM 494 CB LEU F 202 -16.693 -29.974 1.888 1.00 3.47 C +ATOM 495 CG LEU F 202 -17.177 -29.629 3.299 1.00 3.29 C +ATOM 496 CD1 LEU F 202 -17.217 -28.120 3.499 1.00 3.02 C +ATOM 497 CD2 LEU F 202 -18.538 -30.250 3.560 1.00 3.26 C +ATOM 498 N HIS F 203 -14.059 -31.777 2.018 1.00 3.58 N +ATOM 499 CA HIS F 203 -13.182 -32.705 2.733 1.00 3.62 C +ATOM 500 C HIS F 203 -11.746 -32.180 2.788 1.00 3.58 C +ATOM 501 O HIS F 203 -11.109 -32.219 3.843 1.00 3.58 O +ATOM 502 CB HIS F 203 -13.224 -34.092 2.074 1.00 3.65 C +ATOM 503 CG HIS F 203 -12.382 -35.125 2.762 1.00 3.89 C +ATOM 504 ND1 HIS F 203 -12.755 -35.723 3.948 1.00 4.17 N +ATOM 505 CD2 HIS F 203 -11.193 -35.678 2.422 1.00 3.98 C +ATOM 506 CE1 HIS F 203 -11.830 -36.593 4.311 1.00 4.24 C +ATOM 507 NE2 HIS F 203 -10.871 -36.585 3.402 1.00 4.14 N +ATOM 508 N ILE F 204 -11.252 -31.683 1.654 1.00 3.58 N +ATOM 509 CA ILE F 204 -9.880 -31.165 1.553 1.00 3.54 C +ATOM 510 C ILE F 204 -9.656 -29.983 2.505 1.00 3.47 C +ATOM 511 O ILE F 204 -8.602 -29.885 3.138 1.00 3.38 O +ATOM 512 CB ILE F 204 -9.531 -30.741 0.095 1.00 3.61 C +ATOM 513 CG1 ILE F 204 -9.469 -31.957 -0.835 1.00 3.74 C +ATOM 514 CG2 ILE F 204 -8.193 -30.006 0.039 1.00 3.50 C +ATOM 515 CD1 ILE F 204 -8.311 -32.893 -0.556 1.00 4.06 C +ATOM 516 N LEU F 205 -10.654 -29.103 2.602 1.00 3.40 N +ATOM 517 CA LEU F 205 -10.601 -27.943 3.498 1.00 3.36 C +ATOM 518 C LEU F 205 -10.625 -28.348 4.967 1.00 3.31 C +ATOM 519 O LEU F 205 -9.908 -27.771 5.785 1.00 3.20 O +ATOM 520 CB LEU F 205 -11.768 -26.991 3.218 1.00 3.37 C +ATOM 521 CG LEU F 205 -11.722 -26.234 1.889 1.00 3.34 C +ATOM 522 CD1 LEU F 205 -13.093 -25.652 1.561 1.00 3.30 C +ATOM 523 CD2 LEU F 205 -10.659 -25.143 1.924 1.00 2.76 C +ATOM 524 N LYS F 206 -11.464 -29.329 5.294 1.00 3.34 N +ATOM 525 CA LYS F 206 -11.563 -29.843 6.663 1.00 3.39 C +ATOM 526 C LYS F 206 -10.270 -30.530 7.102 1.00 3.42 C +ATOM 527 O LYS F 206 -9.837 -30.363 8.239 1.00 3.42 O +ATOM 528 CB LYS F 206 -12.743 -30.813 6.805 1.00 3.39 C +ATOM 529 CG LYS F 206 -14.112 -30.142 6.893 1.00 3.45 C +ATOM 530 CD LYS F 206 -15.233 -31.175 6.813 1.00 3.63 C +ATOM 531 CE LYS F 206 -16.617 -30.536 6.736 1.00 3.77 C +ATOM 532 NZ LYS F 206 -17.195 -30.230 8.071 1.00 4.02 N +ATOM 533 N VAL F 207 -9.655 -31.293 6.200 1.00 3.47 N +ATOM 534 CA VAL F 207 -8.392 -31.979 6.503 1.00 3.52 C +ATOM 535 C VAL F 207 -7.264 -30.983 6.802 1.00 3.56 C +ATOM 536 O VAL F 207 -6.469 -31.202 7.716 1.00 3.61 O +ATOM 537 CB VAL F 207 -7.969 -32.938 5.367 1.00 3.50 C +ATOM 538 CG1 VAL F 207 -6.575 -33.498 5.619 1.00 3.30 C +ATOM 539 CG2 VAL F 207 -8.976 -34.073 5.237 1.00 3.41 C +ATOM 540 N LEU F 208 -7.214 -29.886 6.049 1.00 3.57 N +ATOM 541 CA LEU F 208 -6.242 -28.817 6.311 1.00 3.61 C +ATOM 542 C LEU F 208 -6.644 -27.885 7.468 1.00 3.62 C +ATOM 543 O LEU F 208 -5.874 -27.007 7.846 1.00 3.78 O +ATOM 544 CB LEU F 208 -5.981 -27.989 5.042 1.00 3.61 C +ATOM 545 CG LEU F 208 -4.998 -28.566 4.012 1.00 3.84 C +ATOM 546 CD1 LEU F 208 -4.595 -27.484 3.013 1.00 4.08 C +ATOM 547 CD2 LEU F 208 -3.746 -29.162 4.662 1.00 3.63 C +ATOM 548 N GLY F 209 -7.842 -28.061 8.018 1.00 3.59 N +ATOM 549 CA GLY F 209 -8.292 -27.262 9.159 1.00 3.57 C +ATOM 550 C GLY F 209 -8.753 -25.850 8.826 1.00 3.55 C +ATOM 551 O GLY F 209 -8.957 -25.035 9.731 1.00 3.46 O +ATOM 552 N ILE F 210 -8.936 -25.562 7.537 1.00 3.40 N +ATOM 553 CA ILE F 210 -9.395 -24.245 7.094 1.00 3.30 C +ATOM 554 C ILE F 210 -10.843 -24.033 7.548 1.00 3.29 C +ATOM 555 O ILE F 210 -11.251 -22.915 7.870 1.00 3.05 O +ATOM 556 CB ILE F 210 -9.300 -24.090 5.557 1.00 3.30 C +ATOM 557 CG1 ILE F 210 -7.860 -24.295 5.064 1.00 3.44 C +ATOM 558 CG2 ILE F 210 -9.807 -22.719 5.120 1.00 3.33 C +ATOM 559 CD1 ILE F 210 -6.842 -23.357 5.688 1.00 3.55 C +ATOM 560 N LEU F 211 -11.609 -25.122 7.552 1.00 3.30 N +ATOM 561 CA LEU F 211 -12.930 -25.159 8.164 1.00 3.37 C +ATOM 562 C LEU F 211 -12.945 -26.224 9.263 1.00 3.41 C +ATOM 563 O LEU F 211 -12.182 -27.187 9.202 1.00 3.42 O +ATOM 564 CB LEU F 211 -14.002 -25.488 7.122 1.00 3.33 C +ATOM 565 CG LEU F 211 -14.116 -24.559 5.912 1.00 3.18 C +ATOM 566 CD1 LEU F 211 -15.194 -25.064 4.961 1.00 2.75 C +ATOM 567 CD2 LEU F 211 -14.400 -23.130 6.350 1.00 2.79 C +ATOM 568 N PRO F 212 -13.815 -26.052 10.272 1.00 3.48 N +ATOM 569 CA PRO F 212 -13.974 -27.073 11.307 1.00 3.53 C +ATOM 570 C PRO F 212 -14.757 -28.291 10.814 1.00 3.54 C +ATOM 571 O PRO F 212 -15.418 -28.228 9.778 1.00 3.49 O +ATOM 572 CB PRO F 212 -14.765 -26.344 12.400 1.00 3.52 C +ATOM 573 CG PRO F 212 -15.509 -25.277 11.686 1.00 3.44 C +ATOM 574 CD PRO F 212 -14.656 -24.867 10.527 1.00 3.46 C +ATOM 575 N PHE F 213 -14.681 -29.385 11.565 1.00 3.56 N +ATOM 576 CA PHE F 213 -15.430 -30.605 11.243 1.00 3.59 C +ATOM 577 C PHE F 213 -16.945 -30.360 11.262 1.00 3.71 C +ATOM 578 O PHE F 213 -17.695 -31.051 10.575 1.00 3.65 O +ATOM 579 CB PHE F 213 -15.054 -31.742 12.203 1.00 3.54 C +ATOM 580 CG PHE F 213 -15.717 -31.649 13.548 1.00 3.52 C +ATOM 581 CD1 PHE F 213 -15.267 -30.743 14.502 1.00 3.41 C +ATOM 582 CD2 PHE F 213 -16.799 -32.466 13.860 1.00 3.48 C +ATOM 583 CE1 PHE F 213 -15.879 -30.656 15.745 1.00 3.48 C +ATOM 584 CE2 PHE F 213 -17.418 -32.384 15.102 1.00 3.42 C +ATOM 585 CZ PHE F 213 -16.957 -31.478 16.046 1.00 3.43 C +ATOM 586 N ASN F 214 -17.376 -29.388 12.067 1.00 3.84 N +ATOM 587 CA ASN F 214 -18.752 -28.881 12.051 1.00 3.96 C +ATOM 588 C ASN F 214 -19.207 -28.437 10.668 1.00 3.90 C +ATOM 589 O ASN F 214 -20.319 -28.753 10.247 1.00 3.81 O +ATOM 590 CB ASN F 214 -18.883 -27.665 12.980 1.00 4.07 C +ATOM 591 CG ASN F 214 -18.961 -28.041 14.445 1.00 4.56 C +ATOM 592 OD1 ASN F 214 -19.650 -28.990 14.822 1.00 5.07 O +ATOM 593 ND2 ASN F 214 -18.272 -27.273 15.287 1.00 5.23 N +ATOM 594 N ALA F 215 -18.331 -27.697 9.986 1.00 3.90 N +ATOM 595 CA ALA F 215 -18.659 -26.953 8.761 1.00 3.95 C +ATOM 596 C ALA F 215 -19.714 -27.626 7.886 1.00 4.00 C +ATOM 597 O ALA F 215 -19.524 -28.767 7.456 1.00 3.92 O +ATOM 598 CB ALA F 215 -17.399 -26.694 7.943 1.00 3.92 C +ATOM 599 N PRO F 216 -20.821 -26.911 7.606 1.00 4.14 N +ATOM 600 CA PRO F 216 -21.926 -27.479 6.827 1.00 4.21 C +ATOM 601 C PRO F 216 -21.563 -27.667 5.355 1.00 4.21 C +ATOM 602 O PRO F 216 -21.690 -28.766 4.813 1.00 4.36 O +ATOM 603 CB PRO F 216 -23.044 -26.442 6.987 1.00 4.26 C +ATOM 604 CG PRO F 216 -22.353 -25.154 7.299 1.00 4.21 C +ATOM 605 CD PRO F 216 -21.031 -25.483 7.923 1.00 4.12 C +ATOM 606 N SER F 217 -21.110 -26.592 4.728 1.00 4.16 N +ATOM 607 CA SER F 217 -20.627 -26.623 3.357 1.00 4.21 C +ATOM 608 C SER F 217 -19.707 -25.418 3.207 1.00 4.23 C +ATOM 609 O SER F 217 -19.137 -24.964 4.204 1.00 4.33 O +ATOM 610 CB SER F 217 -21.798 -26.605 2.370 1.00 4.19 C +ATOM 611 OG SER F 217 -22.307 -27.912 2.180 1.00 4.24 O +ATOM 612 N CYS F 218 -19.546 -24.906 1.992 1.00 4.19 N +ATOM 613 CA CYS F 218 -18.676 -23.764 1.768 1.00 4.26 C +ATOM 614 C CYS F 218 -18.970 -23.112 0.421 1.00 4.08 C +ATOM 615 O CYS F 218 -18.932 -23.770 -0.619 1.00 4.08 O +ATOM 616 CB CYS F 218 -17.217 -24.217 1.851 1.00 4.26 C +ATOM 617 SG CYS F 218 -16.023 -23.061 1.210 1.00 5.46 S +ATOM 618 N GLY F 219 -19.291 -21.821 0.458 1.00 3.93 N +ATOM 619 CA GLY F 219 -19.442 -21.023 -0.751 1.00 3.81 C +ATOM 620 C GLY F 219 -18.082 -20.733 -1.362 1.00 3.78 C +ATOM 621 O GLY F 219 -17.092 -20.570 -0.644 1.00 3.81 O +ATOM 622 N LEU F 220 -18.035 -20.679 -2.690 1.00 3.67 N +ATOM 623 CA LEU F 220 -16.800 -20.406 -3.414 1.00 3.56 C +ATOM 624 C LEU F 220 -16.982 -19.181 -4.301 1.00 3.55 C +ATOM 625 O LEU F 220 -17.918 -19.116 -5.098 1.00 3.58 O +ATOM 626 CB LEU F 220 -16.389 -21.619 -4.249 1.00 3.51 C +ATOM 627 CG LEU F 220 -15.881 -22.829 -3.459 1.00 3.26 C +ATOM 628 CD1 LEU F 220 -15.709 -24.032 -4.365 1.00 2.81 C +ATOM 629 CD2 LEU F 220 -14.578 -22.509 -2.748 1.00 2.72 C +ATOM 630 N ILE F 221 -16.082 -18.212 -4.144 1.00 3.53 N +ATOM 631 CA ILE F 221 -16.160 -16.935 -4.853 1.00 3.56 C +ATOM 632 C ILE F 221 -14.955 -16.780 -5.778 1.00 3.58 C +ATOM 633 O ILE F 221 -13.828 -17.090 -5.388 1.00 3.70 O +ATOM 634 CB ILE F 221 -16.227 -15.746 -3.856 1.00 3.54 C +ATOM 635 CG1 ILE F 221 -16.478 -14.426 -4.593 1.00 3.58 C +ATOM 636 CG2 ILE F 221 -14.954 -15.653 -3.027 1.00 3.42 C +ATOM 637 CD1 ILE F 221 -16.831 -13.270 -3.671 1.00 3.28 C +ATOM 638 N THR F 222 -15.190 -16.304 -6.999 1.00 3.52 N +ATOM 639 CA THR F 222 -14.100 -16.107 -7.954 1.00 3.54 C +ATOM 640 C THR F 222 -13.199 -14.975 -7.470 1.00 3.61 C +ATOM 641 O THR F 222 -13.667 -14.046 -6.809 1.00 3.64 O +ATOM 642 CB THR F 222 -14.597 -15.765 -9.381 1.00 3.50 C +ATOM 643 OG1 THR F 222 -15.134 -14.438 -9.405 1.00 3.39 O +ATOM 644 CG2 THR F 222 -15.648 -16.753 -9.852 1.00 3.41 C +ATOM 645 N LEU F 223 -11.913 -15.058 -7.808 1.00 3.61 N +ATOM 646 CA LEU F 223 -10.934 -14.041 -7.418 1.00 3.68 C +ATOM 647 C LEU F 223 -11.340 -12.639 -7.872 1.00 3.75 C +ATOM 648 O LEU F 223 -11.071 -11.656 -7.179 1.00 3.75 O +ATOM 649 CB LEU F 223 -9.548 -14.385 -7.981 1.00 3.64 C +ATOM 650 CG LEU F 223 -8.426 -13.362 -7.744 1.00 3.78 C +ATOM 651 CD1 LEU F 223 -8.318 -12.997 -6.266 1.00 3.76 C +ATOM 652 CD2 LEU F 223 -7.092 -13.884 -8.272 1.00 3.79 C +ATOM 653 N THR F 224 -11.978 -12.555 -9.036 1.00 3.91 N +ATOM 654 CA THR F 224 -12.409 -11.270 -9.593 1.00 4.03 C +ATOM 655 C THR F 224 -13.619 -10.705 -8.848 1.00 3.99 C +ATOM 656 O THR F 224 -13.697 -9.497 -8.610 1.00 4.05 O +ATOM 657 CB THR F 224 -12.712 -11.363 -11.112 1.00 4.13 C +ATOM 658 OG1 THR F 224 -13.030 -10.060 -11.613 1.00 4.27 O +ATOM 659 CG2 THR F 224 -13.879 -12.318 -11.401 1.00 4.49 C +ATOM 660 N ASP F 225 -14.557 -11.575 -8.484 1.00 3.93 N +ATOM 661 CA ASP F 225 -15.700 -11.170 -7.665 1.00 3.87 C +ATOM 662 C ASP F 225 -15.259 -10.835 -6.245 1.00 3.79 C +ATOM 663 O ASP F 225 -15.822 -9.940 -5.616 1.00 3.72 O +ATOM 664 CB ASP F 225 -16.767 -12.267 -7.626 1.00 3.85 C +ATOM 665 CG ASP F 225 -17.527 -12.395 -8.934 1.00 3.98 C +ATOM 666 OD1 ASP F 225 -17.822 -11.359 -9.576 1.00 4.23 O +ATOM 667 OD2 ASP F 225 -17.847 -13.542 -9.311 1.00 4.04 O +ATOM 668 N ALA F 226 -14.252 -11.556 -5.751 1.00 3.75 N +ATOM 669 CA ALA F 226 -13.713 -11.319 -4.410 1.00 3.73 C +ATOM 670 C ALA F 226 -13.123 -9.917 -4.286 1.00 3.75 C +ATOM 671 O ALA F 226 -13.384 -9.217 -3.306 1.00 3.74 O +ATOM 672 CB ALA F 226 -12.668 -12.362 -4.066 1.00 3.70 C +ATOM 673 N AGLN F 227 -12.332 -9.523 -5.282 0.50 3.75 N +ATOM 674 N BGLN F 227 -12.331 -9.510 -5.275 0.50 3.76 N +ATOM 675 CA AGLN F 227 -11.729 -8.189 -5.326 0.50 3.77 C +ATOM 676 CA BGLN F 227 -11.742 -8.169 -5.279 0.50 3.79 C +ATOM 677 C AGLN F 227 -12.792 -7.087 -5.404 0.50 3.81 C +ATOM 678 C BGLN F 227 -12.813 -7.083 -5.378 0.50 3.82 C +ATOM 679 O AGLN F 227 -12.675 -6.052 -4.747 0.50 3.95 O +ATOM 680 O BGLN F 227 -12.722 -6.050 -4.713 0.50 3.96 O +ATOM 681 CB AGLN F 227 -10.759 -8.091 -6.511 0.50 3.72 C +ATOM 682 CB BGLN F 227 -10.737 -8.016 -6.421 0.50 3.77 C +ATOM 683 CG AGLN F 227 -9.483 -8.913 -6.326 0.50 3.64 C +ATOM 684 CG BGLN F 227 -10.146 -6.618 -6.527 0.50 3.75 C +ATOM 685 CD AGLN F 227 -8.756 -9.198 -7.630 0.50 3.46 C +ATOM 686 CD BGLN F 227 -9.600 -6.108 -5.206 0.50 3.86 C +ATOM 687 OE1AGLN F 227 -9.266 -8.923 -8.717 0.50 3.30 O +ATOM 688 OE1BGLN F 227 -9.402 -6.875 -4.263 0.50 4.10 O +ATOM 689 NE2AGLN F 227 -7.558 -9.761 -7.526 0.50 3.37 N +ATOM 690 NE2BGLN F 227 -9.351 -4.805 -5.133 0.50 4.07 N +ATOM 691 N ARG F 228 -13.827 -7.325 -6.203 1.00 3.82 N +ATOM 692 CA ARG F 228 -14.946 -6.394 -6.338 1.00 3.84 C +ATOM 693 C ARG F 228 -15.724 -6.264 -5.021 1.00 3.86 C +ATOM 694 O ARG F 228 -16.058 -5.158 -4.590 1.00 3.86 O +ATOM 695 CB ARG F 228 -15.881 -6.879 -7.441 1.00 3.84 C +ATOM 696 CG ARG F 228 -16.909 -5.860 -7.878 1.00 4.09 C +ATOM 697 CD ARG F 228 -17.990 -6.518 -8.710 1.00 4.34 C +ATOM 698 NE ARG F 228 -18.654 -5.556 -9.579 1.00 4.58 N +ATOM 699 CZ ARG F 228 -18.152 -5.090 -10.720 1.00 4.45 C +ATOM 700 NH1 ARG F 228 -16.960 -5.491 -11.157 1.00 4.45 N +ATOM 701 NH2 ARG F 228 -18.851 -4.212 -11.432 1.00 4.61 N +ATOM 702 N LEU F 229 -16.012 -7.406 -4.402 1.00 3.79 N +ATOM 703 CA LEU F 229 -16.624 -7.451 -3.077 1.00 3.77 C +ATOM 704 C LEU F 229 -15.818 -6.617 -2.081 1.00 3.84 C +ATOM 705 O LEU F 229 -16.375 -5.775 -1.373 1.00 4.00 O +ATOM 706 CB LEU F 229 -16.719 -8.901 -2.590 1.00 3.70 C +ATOM 707 CG LEU F 229 -17.230 -9.135 -1.167 1.00 3.55 C +ATOM 708 CD1 LEU F 229 -18.692 -8.726 -1.066 1.00 2.93 C +ATOM 709 CD2 LEU F 229 -17.025 -10.592 -0.758 1.00 2.69 C +ATOM 710 N CYS F 230 -14.510 -6.860 -2.033 1.00 3.84 N +ATOM 711 CA CYS F 230 -13.609 -6.130 -1.136 1.00 3.79 C +ATOM 712 C CYS F 230 -13.578 -4.637 -1.435 1.00 3.70 C +ATOM 713 O CYS F 230 -13.564 -3.823 -0.517 1.00 3.73 O +ATOM 714 CB CYS F 230 -12.190 -6.694 -1.216 1.00 3.86 C +ATOM 715 SG CYS F 230 -12.001 -8.314 -0.445 1.00 4.31 S +ATOM 716 N ASN F 231 -13.567 -4.275 -2.715 1.00 3.61 N +ATOM 717 CA ASN F 231 -13.614 -2.864 -3.101 1.00 3.57 C +ATOM 718 C ASN F 231 -14.909 -2.193 -2.654 1.00 3.52 C +ATOM 719 O ASN F 231 -14.881 -1.080 -2.136 1.00 3.43 O +ATOM 720 CB ASN F 231 -13.441 -2.695 -4.613 1.00 3.59 C +ATOM 721 CG ASN F 231 -12.023 -2.980 -5.082 1.00 3.70 C +ATOM 722 OD1 ASN F 231 -11.051 -2.742 -4.364 1.00 3.76 O +ATOM 723 ND2 ASN F 231 -11.902 -3.487 -6.300 1.00 3.79 N +ATOM 724 N ALA F 232 -16.038 -2.874 -2.849 1.00 3.56 N +ATOM 725 CA ALA F 232 -17.352 -2.331 -2.466 1.00 3.56 C +ATOM 726 C ALA F 232 -17.431 -2.039 -0.971 1.00 3.53 C +ATOM 727 O ALA F 232 -17.883 -0.971 -0.569 1.00 3.60 O +ATOM 728 CB ALA F 232 -18.470 -3.283 -2.872 1.00 3.53 C +ATOM 729 N LEU F 233 -16.971 -2.983 -0.156 1.00 3.53 N +ATOM 730 CA LEU F 233 -17.056 -2.856 1.299 1.00 3.53 C +ATOM 731 C LEU F 233 -15.938 -2.008 1.912 1.00 3.49 C +ATOM 732 O LEU F 233 -16.197 -1.169 2.776 1.00 3.56 O +ATOM 733 CB LEU F 233 -17.074 -4.240 1.950 1.00 3.54 C +ATOM 734 CG LEU F 233 -18.323 -5.074 1.666 1.00 3.44 C +ATOM 735 CD1 LEU F 233 -18.174 -6.463 2.262 1.00 3.32 C +ATOM 736 CD2 LEU F 233 -19.576 -4.383 2.206 1.00 3.55 C +ATOM 737 N LEU F 234 -14.705 -2.217 1.465 1.00 3.41 N +ATOM 738 CA LEU F 234 -13.542 -1.558 2.077 1.00 3.37 C +ATOM 739 C LEU F 234 -13.230 -0.182 1.494 1.00 3.39 C +ATOM 740 O LEU F 234 -12.704 0.681 2.195 1.00 3.25 O +ATOM 741 CB LEU F 234 -12.306 -2.448 1.959 1.00 3.26 C +ATOM 742 CG LEU F 234 -12.455 -3.847 2.552 1.00 3.03 C +ATOM 743 CD1 LEU F 234 -11.224 -4.680 2.250 1.00 3.24 C +ATOM 744 CD2 LEU F 234 -12.702 -3.761 4.050 1.00 2.47 C +ATOM 745 N ARG F 235 -13.546 0.013 0.216 1.00 3.54 N +ATOM 746 CA ARG F 235 -13.229 1.259 -0.488 1.00 3.64 C +ATOM 747 C ARG F 235 -14.427 1.752 -1.301 1.00 3.64 C +ATOM 748 O ARG F 235 -14.371 1.791 -2.529 1.00 3.70 O +ATOM 749 CB ARG F 235 -12.014 1.054 -1.405 1.00 3.58 C +ATOM 750 CG ARG F 235 -10.695 0.828 -0.667 1.00 3.70 C +ATOM 751 CD ARG F 235 -9.578 0.398 -1.621 1.00 3.43 C +ATOM 752 NE ARG F 235 -9.814 -0.944 -2.156 1.00 3.34 N +ATOM 753 CZ ARG F 235 -9.524 -2.085 -1.527 1.00 3.22 C +ATOM 754 NH1 ARG F 235 -8.969 -2.083 -0.317 1.00 3.01 N +ATOM 755 NH2 ARG F 235 -9.794 -3.245 -2.114 1.00 3.20 N +ATOM 756 N PRO F 236 -15.518 2.133 -0.617 1.00 3.73 N +ATOM 757 CA PRO F 236 -16.702 2.615 -1.322 1.00 3.83 C +ATOM 758 C PRO F 236 -16.446 3.962 -1.984 1.00 3.91 C +ATOM 759 O PRO F 236 -15.737 4.795 -1.421 1.00 4.09 O +ATOM 760 CB PRO F 236 -17.741 2.758 -0.206 1.00 3.82 C +ATOM 761 CG PRO F 236 -16.943 3.015 1.014 1.00 3.80 C +ATOM 762 CD PRO F 236 -15.672 2.232 0.846 1.00 3.74 C +ATOM 763 N ARG F 237 -17.025 4.169 -3.164 1.00 3.92 N +ATOM 764 CA ARG F 237 -16.812 5.402 -3.925 1.00 3.93 C +ATOM 765 C ARG F 237 -17.507 6.584 -3.263 1.00 3.88 C +ATOM 766 O ARG F 237 -18.478 6.411 -2.528 1.00 3.87 O +ATOM 767 CB ARG F 237 -17.326 5.252 -5.360 1.00 3.95 C +ATOM 768 CG ARG F 237 -16.696 4.102 -6.138 1.00 4.23 C +ATOM 769 CD ARG F 237 -17.236 4.032 -7.560 1.00 4.57 C +ATOM 770 NE ARG F 237 -17.015 2.720 -8.170 1.00 4.65 N +ATOM 771 CZ ARG F 237 -15.854 2.292 -8.666 1.00 4.92 C +ATOM 772 NH1 ARG F 237 -14.770 3.063 -8.633 1.00 4.94 N +ATOM 773 NH2 ARG F 237 -15.774 1.077 -9.200 1.00 5.13 N +ATOM 774 N THR F 238 -16.997 7.783 -3.531 1.00 3.94 N +ATOM 775 CA THR F 238 -17.604 9.021 -3.033 1.00 3.99 C +ATOM 776 C THR F 238 -17.025 10.243 -3.746 1.00 4.00 C +ATOM 777 O THR F 238 -15.830 10.304 -4.036 1.00 4.01 O +ATOM 778 CB THR F 238 -17.419 9.179 -1.500 1.00 4.05 C +ATOM 779 OG1 THR F 238 -17.867 10.479 -1.088 1.00 3.92 O +ATOM 780 CG2 THR F 238 -15.952 8.987 -1.100 1.00 4.03 C +ATOM 781 OXT THR F 238 -17.739 11.198 -4.049 1.00 3.97 O Added: SwiftApps/modFTdock/input/3eq5-7.pdb =================================================================== --- SwiftApps/modFTdock/input/3eq5-7.pdb (rev 0) +++ SwiftApps/modFTdock/input/3eq5-7.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,735 @@ +ATOM 1 N SER G 141 -30.633 -9.753 42.930 1.00 3.81 N +ATOM 2 CA SER G 141 -30.009 -11.096 43.112 1.00 3.80 C +ATOM 3 C SER G 141 -30.983 -12.220 42.755 1.00 3.76 C +ATOM 4 O SER G 141 -32.159 -11.981 42.465 1.00 3.62 O +ATOM 5 CB SER G 141 -29.505 -11.264 44.552 1.00 3.80 C +ATOM 6 OG SER G 141 -28.288 -10.564 44.752 1.00 3.79 O +ATOM 7 N THR G 142 -30.464 -13.444 42.777 1.00 3.77 N +ATOM 8 CA THR G 142 -31.220 -14.644 42.411 1.00 3.81 C +ATOM 9 C THR G 142 -31.934 -15.310 43.608 1.00 3.83 C +ATOM 10 O THR G 142 -32.918 -16.028 43.427 1.00 3.88 O +ATOM 11 CB THR G 142 -30.287 -15.674 41.719 1.00 3.82 C +ATOM 12 OG1 THR G 142 -31.028 -16.850 41.379 1.00 4.04 O +ATOM 13 CG2 THR G 142 -29.107 -16.058 42.619 1.00 3.68 C +ATOM 14 N GLU G 143 -31.437 -15.056 44.818 1.00 3.83 N +ATOM 15 CA GLU G 143 -31.924 -15.702 46.043 1.00 3.79 C +ATOM 16 C GLU G 143 -33.364 -15.324 46.404 1.00 3.67 C +ATOM 17 O GLU G 143 -33.641 -14.181 46.765 1.00 3.57 O +ATOM 18 CB GLU G 143 -30.995 -15.341 47.210 1.00 3.88 C +ATOM 19 CG GLU G 143 -31.415 -15.882 48.581 1.00 4.21 C +ATOM 20 CD GLU G 143 -30.548 -15.340 49.710 1.00 4.53 C +ATOM 21 OE1 GLU G 143 -29.305 -15.318 49.554 1.00 4.91 O +ATOM 22 OE2 GLU G 143 -31.111 -14.938 50.753 1.00 4.38 O +ATOM 23 N LEU G 144 -34.273 -16.294 46.328 1.00 3.63 N +ATOM 24 CA LEU G 144 -35.664 -16.068 46.730 1.00 3.59 C +ATOM 25 C LEU G 144 -35.846 -16.342 48.217 1.00 3.54 C +ATOM 26 O LEU G 144 -35.393 -17.368 48.726 1.00 3.57 O +ATOM 27 CB LEU G 144 -36.628 -16.943 45.929 1.00 3.51 C +ATOM 28 CG LEU G 144 -38.091 -16.503 46.053 1.00 3.55 C +ATOM 29 CD1 LEU G 144 -38.315 -15.207 45.287 1.00 3.16 C +ATOM 30 CD2 LEU G 144 -39.050 -17.591 45.573 1.00 3.68 C +ATOM 31 N THR G 145 -36.525 -15.424 48.900 1.00 3.49 N +ATOM 32 CA THR G 145 -36.779 -15.539 50.334 1.00 3.47 C +ATOM 33 C THR G 145 -38.234 -15.168 50.648 1.00 3.44 C +ATOM 34 O THR G 145 -39.010 -14.868 49.738 1.00 3.27 O +ATOM 35 CB THR G 145 -35.806 -14.648 51.143 1.00 3.48 C +ATOM 36 OG1 THR G 145 -36.008 -14.862 52.545 1.00 3.78 O +ATOM 37 CG2 THR G 145 -36.012 -13.175 50.813 1.00 3.30 C +ATOM 38 N GLN G 146 -38.596 -15.201 51.929 1.00 3.45 N +ATOM 39 CA GLN G 146 -39.961 -14.885 52.359 1.00 3.52 C +ATOM 40 C GLN G 146 -39.989 -13.838 53.471 1.00 3.49 C +ATOM 41 O GLN G 146 -39.099 -13.796 54.320 1.00 3.59 O +ATOM 42 CB GLN G 146 -40.689 -16.152 52.819 1.00 3.48 C +ATOM 43 CG GLN G 146 -40.790 -17.231 51.738 1.00 3.65 C +ATOM 44 CD GLN G 146 -41.866 -18.284 52.015 1.00 3.80 C +ATOM 45 OE1 GLN G 146 -42.655 -18.162 52.956 1.00 3.82 O +ATOM 46 NE2 GLN G 146 -41.902 -19.321 51.183 1.00 3.36 N +ATOM 47 N THR G 147 -41.018 -12.992 53.444 1.00 3.44 N +ATOM 48 CA THR G 147 -41.257 -11.981 54.479 1.00 3.34 C +ATOM 49 C THR G 147 -42.763 -11.874 54.745 1.00 3.36 C +ATOM 50 O THR G 147 -43.574 -12.144 53.860 1.00 3.26 O +ATOM 51 CB THR G 147 -40.679 -10.602 54.070 1.00 3.35 C +ATOM 52 OG1 THR G 147 -40.875 -9.655 55.127 1.00 3.03 O +ATOM 53 CG2 THR G 147 -41.339 -10.085 52.794 1.00 3.31 C +ATOM 54 N VAL G 148 -43.123 -11.482 55.965 1.00 3.43 N +ATOM 55 CA VAL G 148 -44.520 -11.484 56.415 1.00 3.40 C +ATOM 56 C VAL G 148 -45.222 -10.140 56.193 1.00 3.41 C +ATOM 57 O VAL G 148 -44.742 -9.097 56.631 1.00 3.37 O +ATOM 58 CB VAL G 148 -44.628 -11.841 57.912 1.00 3.36 C +ATOM 59 CG1 VAL G 148 -46.083 -11.916 58.331 1.00 3.51 C +ATOM 60 CG2 VAL G 148 -43.925 -13.160 58.202 1.00 3.33 C +ATOM 61 N LEU G 149 -46.372 -10.184 55.527 1.00 3.50 N +ATOM 62 CA LEU G 149 -47.187 -8.996 55.271 1.00 3.50 C +ATOM 63 C LEU G 149 -48.633 -9.269 55.676 1.00 3.49 C +ATOM 64 O LEU G 149 -49.217 -10.265 55.250 1.00 3.47 O +ATOM 65 CB LEU G 149 -47.127 -8.633 53.788 1.00 3.49 C +ATOM 66 CG LEU G 149 -47.815 -7.335 53.359 1.00 3.50 C +ATOM 67 CD1 LEU G 149 -47.049 -6.127 53.878 1.00 3.46 C +ATOM 68 CD2 LEU G 149 -47.942 -7.282 51.844 1.00 3.44 C +ATOM 69 N GLU G 150 -49.200 -8.386 56.497 1.00 3.55 N +ATOM 70 CA GLU G 150 -50.587 -8.517 56.981 1.00 3.59 C +ATOM 71 C GLU G 150 -50.946 -9.968 57.310 1.00 3.54 C +ATOM 72 O GLU G 150 -51.971 -10.480 56.866 1.00 3.53 O +ATOM 73 CB GLU G 150 -51.576 -7.949 55.953 1.00 3.62 C +ATOM 74 CG GLU G 150 -51.402 -6.456 55.658 1.00 3.83 C +ATOM 75 CD GLU G 150 -51.878 -5.550 56.787 1.00 3.98 C +ATOM 76 OE1 GLU G 150 -52.740 -5.972 57.590 1.00 4.41 O +ATOM 77 OE2 GLU G 150 -51.397 -4.399 56.862 1.00 3.91 O +ATOM 78 N GLY G 151 -50.077 -10.630 58.069 1.00 3.59 N +ATOM 79 CA GLY G 151 -50.271 -12.028 58.452 1.00 3.65 C +ATOM 80 C GLY G 151 -49.725 -13.049 57.465 1.00 3.75 C +ATOM 81 O GLY G 151 -49.242 -14.107 57.871 1.00 3.77 O +ATOM 82 N GLU G 152 -49.798 -12.737 56.173 1.00 3.83 N +ATOM 83 CA GLU G 152 -49.436 -13.688 55.121 1.00 3.90 C +ATOM 84 C GLU G 152 -47.929 -13.694 54.871 1.00 3.96 C +ATOM 85 O GLU G 152 -47.258 -12.674 55.027 1.00 4.07 O +ATOM 86 CB GLU G 152 -50.176 -13.342 53.824 1.00 3.97 C +ATOM 87 CG GLU G 152 -50.381 -14.519 52.867 1.00 4.24 C +ATOM 88 CD GLU G 152 -51.595 -15.373 53.213 1.00 4.75 C +ATOM 89 OE1 GLU G 152 -52.155 -16.007 52.292 1.00 5.11 O +ATOM 90 OE2 GLU G 152 -51.997 -15.409 54.397 1.00 5.13 O +ATOM 91 N SER G 153 -47.410 -14.853 54.475 1.00 3.91 N +ATOM 92 CA SER G 153 -45.999 -15.007 54.142 1.00 3.81 C +ATOM 93 C SER G 153 -45.821 -14.882 52.631 1.00 3.85 C +ATOM 94 O SER G 153 -46.265 -15.747 51.880 1.00 3.99 O +ATOM 95 CB SER G 153 -45.493 -16.366 54.627 1.00 3.81 C +ATOM 96 OG SER G 153 -44.101 -16.505 54.404 1.00 3.73 O +ATOM 97 N ILE G 154 -45.175 -13.801 52.196 1.00 3.77 N +ATOM 98 CA ILE G 154 -45.021 -13.493 50.775 1.00 3.66 C +ATOM 99 C ILE G 154 -43.601 -13.792 50.304 1.00 3.72 C +ATOM 100 O ILE G 154 -42.635 -13.519 51.015 1.00 3.72 O +ATOM 101 CB ILE G 154 -45.317 -11.999 50.488 1.00 3.64 C +ATOM 102 CG1 ILE G 154 -46.706 -11.606 50.993 1.00 3.61 C +ATOM 103 CG2 ILE G 154 -45.206 -11.701 48.997 1.00 3.59 C +ATOM 104 CD1 ILE G 154 -47.828 -12.449 50.424 1.00 3.44 C +ATOM 105 N SER G 155 -43.479 -14.352 49.104 1.00 3.64 N +ATOM 106 CA SER G 155 -42.172 -14.599 48.515 1.00 3.62 C +ATOM 107 C SER G 155 -41.611 -13.278 48.013 1.00 3.68 C +ATOM 108 O SER G 155 -42.348 -12.457 47.461 1.00 3.71 O +ATOM 109 CB SER G 155 -42.260 -15.614 47.375 1.00 3.62 C +ATOM 110 OG SER G 155 -42.534 -16.912 47.875 1.00 3.46 O +ATOM 111 N CYS G 156 -40.314 -13.071 48.216 1.00 3.60 N +ATOM 112 CA CYS G 156 -39.683 -11.807 47.854 1.00 3.69 C +ATOM 113 C CYS G 156 -38.214 -11.983 47.476 1.00 3.68 C +ATOM 114 O CYS G 156 -37.534 -12.891 47.962 1.00 3.56 O +ATOM 115 CB CYS G 156 -39.804 -10.809 49.008 1.00 3.67 C +ATOM 116 SG CYS G 156 -38.848 -11.256 50.479 1.00 4.15 S +ATOM 117 N PHE G 157 -37.740 -11.101 46.600 1.00 3.72 N +ATOM 118 CA PHE G 157 -36.348 -11.099 46.167 1.00 3.71 C +ATOM 119 C PHE G 157 -35.565 -10.058 46.946 1.00 3.79 C +ATOM 120 O PHE G 157 -36.038 -8.941 47.165 1.00 3.72 O +ATOM 121 CB PHE G 157 -36.242 -10.817 44.669 1.00 3.69 C +ATOM 122 CG PHE G 157 -36.631 -11.983 43.808 1.00 3.76 C +ATOM 123 CD1 PHE G 157 -37.840 -11.991 43.126 1.00 3.74 C +ATOM 124 CD2 PHE G 157 -35.790 -13.081 43.690 1.00 3.75 C +ATOM 125 CE1 PHE G 157 -38.199 -13.068 42.337 1.00 3.74 C +ATOM 126 CE2 PHE G 157 -36.143 -14.161 42.902 1.00 3.67 C +ATOM 127 CZ PHE G 157 -37.349 -14.155 42.224 1.00 3.76 C +ATOM 128 N GLN G 158 -34.361 -10.436 47.356 1.00 3.95 N +ATOM 129 CA GLN G 158 -33.496 -9.555 48.124 1.00 4.07 C +ATOM 130 C GLN G 158 -32.504 -8.839 47.219 1.00 4.09 C +ATOM 131 O GLN G 158 -31.670 -9.476 46.577 1.00 4.23 O +ATOM 132 CB GLN G 158 -32.744 -10.356 49.177 1.00 4.07 C +ATOM 133 CG GLN G 158 -31.908 -9.503 50.097 1.00 4.32 C +ATOM 134 CD GLN G 158 -32.722 -8.557 50.968 1.00 4.41 C +ATOM 135 OE1 GLN G 158 -33.681 -8.964 51.623 1.00 4.59 O +ATOM 136 NE2 GLN G 158 -32.320 -7.290 51.000 1.00 4.64 N +ATOM 137 N VAL G 159 -32.593 -7.513 47.188 1.00 4.16 N +ATOM 138 CA VAL G 159 -31.711 -6.690 46.360 1.00 4.22 C +ATOM 139 C VAL G 159 -30.956 -5.682 47.230 1.00 4.28 C +ATOM 140 O VAL G 159 -31.160 -4.470 47.131 1.00 4.37 O +ATOM 141 CB VAL G 159 -32.506 -5.964 45.250 1.00 4.26 C +ATOM 142 CG1 VAL G 159 -33.187 -6.978 44.336 1.00 4.11 C +ATOM 143 CG2 VAL G 159 -33.535 -5.023 45.855 1.00 4.35 C +ATOM 144 N GLY G 160 -30.077 -6.200 48.082 1.00 4.35 N +ATOM 145 CA GLY G 160 -29.281 -5.362 48.979 1.00 4.38 C +ATOM 146 C GLY G 160 -30.078 -5.024 50.222 1.00 4.45 C +ATOM 147 O GLY G 160 -30.221 -5.870 51.110 1.00 4.63 O +ATOM 148 N GLY G 161 -30.632 -3.827 50.316 1.00 4.41 N +ATOM 149 CA GLY G 161 -31.487 -3.552 51.469 1.00 4.37 C +ATOM 150 C GLY G 161 -32.976 -3.454 51.191 1.00 4.24 C +ATOM 151 O GLY G 161 -33.742 -3.127 52.095 1.00 4.35 O +ATOM 152 N GLU G 162 -33.395 -3.725 49.960 1.00 4.11 N +ATOM 153 CA GLU G 162 -34.814 -3.707 49.637 1.00 4.09 C +ATOM 154 C GLU G 162 -35.363 -5.111 49.505 1.00 3.96 C +ATOM 155 O GLU G 162 -34.769 -5.970 48.864 1.00 3.92 O +ATOM 156 CB GLU G 162 -35.083 -2.905 48.383 1.00 4.12 C +ATOM 157 CG GLU G 162 -35.567 -1.545 48.733 1.00 4.29 C +ATOM 158 CD GLU G 162 -35.603 -0.635 47.562 1.00 4.50 C +ATOM 159 OE1 GLU G 162 -35.762 -1.132 46.423 1.00 4.28 O +ATOM 160 OE2 GLU G 162 -35.463 0.585 47.784 1.00 4.78 O +ATOM 161 N LYS G 163 -36.498 -5.340 50.141 1.00 3.92 N +ATOM 162 CA LYS G 163 -37.214 -6.576 49.962 1.00 3.89 C +ATOM 163 C LYS G 163 -38.253 -6.282 48.913 1.00 3.80 C +ATOM 164 O LYS G 163 -39.078 -5.401 49.092 1.00 3.80 O +ATOM 165 CB LYS G 163 -37.842 -7.046 51.267 1.00 3.94 C +ATOM 166 CG LYS G 163 -37.031 -8.129 51.900 1.00 4.22 C +ATOM 167 CD LYS G 163 -37.495 -8.504 53.267 1.00 4.70 C +ATOM 168 CE LYS G 163 -36.841 -9.808 53.675 1.00 5.13 C +ATOM 169 NZ LYS G 163 -37.155 -10.226 55.069 1.00 5.31 N +ATOM 170 N ARG G 164 -38.188 -6.999 47.799 1.00 3.74 N +ATOM 171 CA ARG G 164 -39.136 -6.797 46.703 1.00 3.68 C +ATOM 172 C ARG G 164 -40.100 -7.979 46.584 1.00 3.60 C +ATOM 173 O ARG G 164 -39.716 -9.074 46.174 1.00 3.57 O +ATOM 174 CB ARG G 164 -38.384 -6.543 45.400 1.00 3.64 C +ATOM 175 CG ARG G 164 -37.732 -5.166 45.375 1.00 3.74 C +ATOM 176 CD ARG G 164 -36.745 -5.005 44.239 1.00 3.94 C +ATOM 177 NE ARG G 164 -35.981 -3.764 44.368 1.00 4.17 N +ATOM 178 CZ ARG G 164 -34.977 -3.403 43.572 1.00 4.22 C +ATOM 179 NH1 ARG G 164 -34.345 -2.254 43.788 1.00 4.71 N +ATOM 180 NH2 ARG G 164 -34.591 -4.184 42.568 1.00 4.15 N +ATOM 181 N LEU G 165 -41.356 -7.731 46.943 1.00 3.53 N +ATOM 182 CA LEU G 165 -42.357 -8.788 47.110 1.00 3.53 C +ATOM 183 C LEU G 165 -43.044 -9.175 45.802 1.00 3.52 C +ATOM 184 O LEU G 165 -43.247 -8.339 44.927 1.00 3.59 O +ATOM 185 CB LEU G 165 -43.415 -8.356 48.132 1.00 3.43 C +ATOM 186 CG LEU G 165 -42.990 -8.413 49.602 1.00 3.38 C +ATOM 187 CD1 LEU G 165 -41.888 -7.411 49.908 1.00 3.25 C +ATOM 188 CD2 LEU G 165 -44.187 -8.171 50.500 1.00 3.34 C +ATOM 189 N CYS G 166 -43.406 -10.450 45.691 1.00 3.52 N +ATOM 190 CA CYS G 166 -44.142 -10.964 44.531 1.00 3.60 C +ATOM 191 C CYS G 166 -45.533 -10.342 44.484 1.00 3.46 C +ATOM 192 O CYS G 166 -46.369 -10.642 45.325 1.00 3.49 O +ATOM 193 CB CYS G 166 -44.249 -12.488 44.616 1.00 3.60 C +ATOM 194 SG CYS G 166 -45.343 -13.250 43.409 1.00 4.16 S +ATOM 195 N LEU G 167 -45.770 -9.473 43.505 1.00 3.49 N +ATOM 196 CA LEU G 167 -46.998 -8.669 43.456 1.00 3.50 C +ATOM 197 C LEU G 167 -48.287 -9.492 43.317 1.00 3.62 C +ATOM 198 O LEU G 167 -49.271 -9.202 44.000 1.00 3.75 O +ATOM 199 CB LEU G 167 -46.916 -7.615 42.341 1.00 3.47 C +ATOM 200 CG LEU G 167 -48.001 -6.533 42.344 1.00 3.36 C +ATOM 201 CD1 LEU G 167 -47.854 -5.632 43.560 1.00 3.44 C +ATOM 202 CD2 LEU G 167 -47.951 -5.715 41.066 1.00 3.18 C +ATOM 203 N PRO G 168 -48.299 -10.508 42.431 1.00 3.64 N +ATOM 204 CA PRO G 168 -49.486 -11.356 42.340 1.00 3.70 C +ATOM 205 C PRO G 168 -49.970 -11.891 43.691 1.00 3.78 C +ATOM 206 O PRO G 168 -51.176 -11.942 43.929 1.00 3.78 O +ATOM 207 CB PRO G 168 -49.021 -12.502 41.441 1.00 3.66 C +ATOM 208 CG PRO G 168 -48.033 -11.879 40.550 1.00 3.69 C +ATOM 209 CD PRO G 168 -47.323 -10.839 41.377 1.00 3.66 C +ATOM 210 N GLN G 169 -49.039 -12.278 44.561 1.00 3.83 N +ATOM 211 CA GLN G 169 -49.398 -12.759 45.897 1.00 3.92 C +ATOM 212 C GLN G 169 -50.082 -11.675 46.733 1.00 3.92 C +ATOM 213 O GLN G 169 -51.080 -11.947 47.398 1.00 3.93 O +ATOM 214 CB GLN G 169 -48.171 -13.299 46.643 1.00 4.02 C +ATOM 215 CG GLN G 169 -47.813 -14.736 46.286 1.00 4.27 C +ATOM 216 CD GLN G 169 -46.628 -15.261 47.081 1.00 4.67 C +ATOM 217 OE1 GLN G 169 -45.651 -14.545 47.309 1.00 5.18 O +ATOM 218 NE2 GLN G 169 -46.705 -16.521 47.497 1.00 4.64 N +ATOM 219 N VAL G 170 -49.549 -10.454 46.695 1.00 3.89 N +ATOM 220 CA VAL G 170 -50.121 -9.339 47.460 1.00 3.83 C +ATOM 221 C VAL G 170 -51.511 -8.960 46.945 1.00 3.84 C +ATOM 222 O VAL G 170 -52.433 -8.754 47.737 1.00 3.94 O +ATOM 223 CB VAL G 170 -49.211 -8.087 47.436 1.00 3.88 C +ATOM 224 CG1 VAL G 170 -49.881 -6.924 48.163 1.00 3.70 C +ATOM 225 CG2 VAL G 170 -47.850 -8.394 48.057 1.00 3.66 C +ATOM 226 N LEU G 171 -51.662 -8.879 45.625 1.00 3.78 N +ATOM 227 CA LEU G 171 -52.949 -8.510 45.027 1.00 3.83 C +ATOM 228 C LEU G 171 -54.008 -9.603 45.204 1.00 3.79 C +ATOM 229 O LEU G 171 -55.132 -9.315 45.612 1.00 3.82 O +ATOM 230 CB LEU G 171 -52.787 -8.172 43.539 1.00 3.83 C +ATOM 231 CG LEU G 171 -51.893 -6.973 43.198 1.00 4.09 C +ATOM 232 CD1 LEU G 171 -51.884 -6.733 41.694 1.00 4.09 C +ATOM 233 CD2 LEU G 171 -52.332 -5.710 43.936 1.00 4.03 C +ATOM 234 N ASN G 172 -53.643 -10.850 44.914 1.00 3.77 N +ATOM 235 CA ASN G 172 -54.604 -11.961 44.911 1.00 3.77 C +ATOM 236 C ASN G 172 -54.690 -12.741 46.230 1.00 3.75 C +ATOM 237 O ASN G 172 -55.059 -13.919 46.232 1.00 3.76 O +ATOM 238 CB ASN G 172 -54.292 -12.924 43.754 1.00 3.76 C +ATOM 239 CG ASN G 172 -54.286 -12.233 42.399 1.00 3.72 C +ATOM 240 OD1 ASN G 172 -54.729 -11.092 42.264 1.00 3.32 O +ATOM 241 ND2 ASN G 172 -53.785 -12.929 41.385 1.00 3.90 N +ATOM 242 N SER G 173 -54.361 -12.088 47.345 1.00 3.69 N +ATOM 243 CA SER G 173 -54.497 -12.704 48.670 1.00 3.62 C +ATOM 244 C SER G 173 -54.626 -11.661 49.786 1.00 3.59 C +ATOM 245 O SER G 173 -55.671 -11.569 50.432 1.00 3.56 O +ATOM 246 CB SER G 173 -53.325 -13.651 48.951 1.00 3.61 C +ATOM 247 OG SER G 173 -53.565 -14.430 50.109 1.00 3.55 O +ATOM 248 N VAL G 174 -53.570 -10.877 50.004 1.00 3.53 N +ATOM 249 CA VAL G 174 -53.555 -9.862 51.064 1.00 3.50 C +ATOM 250 C VAL G 174 -54.568 -8.754 50.786 1.00 3.46 C +ATOM 251 O VAL G 174 -55.263 -8.302 51.697 1.00 3.42 O +ATOM 252 CB VAL G 174 -52.147 -9.228 51.240 1.00 3.55 C +ATOM 253 CG1 VAL G 174 -52.200 -8.019 52.172 1.00 3.44 C +ATOM 254 CG2 VAL G 174 -51.154 -10.258 51.764 1.00 3.52 C +ATOM 255 N LEU G 175 -54.639 -8.320 49.530 1.00 3.41 N +ATOM 256 CA LEU G 175 -55.569 -7.270 49.115 1.00 3.39 C +ATOM 257 C LEU G 175 -56.633 -7.818 48.159 1.00 3.38 C +ATOM 258 O LEU G 175 -57.051 -7.136 47.222 1.00 3.32 O +ATOM 259 CB LEU G 175 -54.803 -6.114 48.458 1.00 3.37 C +ATOM 260 CG LEU G 175 -53.592 -5.558 49.218 1.00 3.30 C +ATOM 261 CD1 LEU G 175 -53.072 -4.309 48.528 1.00 3.13 C +ATOM 262 CD2 LEU G 175 -53.927 -5.258 50.671 1.00 3.20 C +ATOM 263 N ARG G 176 -57.078 -9.047 48.413 1.00 3.37 N +ATOM 264 CA ARG G 176 -58.091 -9.696 47.577 1.00 3.36 C +ATOM 265 C ARG G 176 -59.451 -9.001 47.685 1.00 3.35 C +ATOM 266 O ARG G 176 -60.219 -8.977 46.722 1.00 3.27 O +ATOM 267 CB ARG G 176 -58.224 -11.179 47.953 1.00 3.35 C +ATOM 268 CG ARG G 176 -59.249 -11.970 47.138 1.00 3.20 C +ATOM 269 CD ARG G 176 -58.927 -11.976 45.650 1.00 3.15 C +ATOM 270 NE ARG G 176 -59.970 -12.635 44.865 1.00 3.10 N +ATOM 271 CZ ARG G 176 -61.137 -12.086 44.528 1.00 2.89 C +ATOM 272 NH1 ARG G 176 -61.452 -10.847 44.899 1.00 2.78 N +ATOM 273 NH2 ARG G 176 -62.005 -12.788 43.812 1.00 2.79 N +ATOM 274 N GLU G 177 -59.729 -8.423 48.852 1.00 3.36 N +ATOM 275 CA GLU G 177 -61.010 -7.758 49.124 1.00 3.39 C +ATOM 276 C GLU G 177 -61.197 -6.400 48.426 1.00 3.44 C +ATOM 277 O GLU G 177 -62.247 -5.772 48.576 1.00 3.50 O +ATOM 278 CB GLU G 177 -61.207 -7.590 50.637 1.00 3.36 C +ATOM 279 CG GLU G 177 -60.243 -6.615 51.300 1.00 3.32 C +ATOM 280 CD GLU G 177 -60.344 -6.635 52.808 1.00 3.16 C +ATOM 281 OE1 GLU G 177 -61.219 -5.931 53.354 1.00 3.18 O +ATOM 282 OE2 GLU G 177 -59.544 -7.345 53.449 1.00 2.97 O +ATOM 283 N PHE G 178 -60.190 -5.953 47.678 1.00 3.48 N +ATOM 284 CA PHE G 178 -60.263 -4.697 46.928 1.00 3.51 C +ATOM 285 C PHE G 178 -60.144 -4.960 45.430 1.00 3.50 C +ATOM 286 O PHE G 178 -59.552 -5.956 45.015 1.00 3.52 O +ATOM 287 CB PHE G 178 -59.151 -3.748 47.379 1.00 3.53 C +ATOM 288 CG PHE G 178 -59.053 -3.602 48.871 1.00 3.57 C +ATOM 289 CD1 PHE G 178 -59.884 -2.720 49.552 1.00 3.55 C +ATOM 290 CD2 PHE G 178 -58.139 -4.355 49.597 1.00 3.49 C +ATOM 291 CE1 PHE G 178 -59.801 -2.587 50.932 1.00 3.57 C +ATOM 292 CE2 PHE G 178 -58.048 -4.227 50.977 1.00 3.50 C +ATOM 293 CZ PHE G 178 -58.881 -3.343 51.646 1.00 3.52 C +ATOM 294 N THR G 179 -60.707 -4.065 44.623 1.00 3.50 N +ATOM 295 CA THR G 179 -60.655 -4.196 43.165 1.00 3.52 C +ATOM 296 C THR G 179 -59.305 -3.734 42.614 1.00 3.50 C +ATOM 297 O THR G 179 -58.628 -2.910 43.226 1.00 3.53 O +ATOM 298 CB THR G 179 -61.785 -3.396 42.480 1.00 3.56 C +ATOM 299 OG1 THR G 179 -61.784 -2.047 42.962 1.00 3.59 O +ATOM 300 CG2 THR G 179 -63.136 -4.029 42.766 1.00 3.37 C +ATOM 301 N LEU G 180 -58.927 -4.272 41.456 1.00 3.50 N +ATOM 302 CA LEU G 180 -57.651 -3.941 40.810 1.00 3.49 C +ATOM 303 C LEU G 180 -57.524 -2.449 40.506 1.00 3.58 C +ATOM 304 O LEU G 180 -56.446 -1.869 40.659 1.00 3.63 O +ATOM 305 CB LEU G 180 -57.477 -4.737 39.511 1.00 3.42 C +ATOM 306 CG LEU G 180 -57.317 -6.255 39.630 1.00 3.31 C +ATOM 307 CD1 LEU G 180 -57.281 -6.884 38.248 1.00 3.02 C +ATOM 308 CD2 LEU G 180 -56.068 -6.624 40.417 1.00 3.06 C +ATOM 309 N GLN G 181 -58.625 -1.840 40.073 1.00 3.65 N +ATOM 310 CA GLN G 181 -58.652 -0.412 39.748 1.00 3.73 C +ATOM 311 C GLN G 181 -58.466 0.451 41.000 1.00 3.72 C +ATOM 312 O GLN G 181 -57.807 1.491 40.951 1.00 3.70 O +ATOM 313 CB GLN G 181 -59.964 -0.053 39.038 1.00 3.75 C +ATOM 314 CG GLN G 181 -59.961 1.313 38.339 1.00 3.94 C +ATOM 315 CD GLN G 181 -60.448 2.452 39.226 1.00 4.25 C +ATOM 316 OE1 GLN G 181 -59.783 3.483 39.353 1.00 4.27 O +ATOM 317 NE2 GLN G 181 -61.617 2.272 39.837 1.00 4.43 N +ATOM 318 N GLN G 182 -59.046 0.008 42.114 1.00 3.75 N +ATOM 319 CA GLN G 182 -58.931 0.709 43.396 1.00 3.76 C +ATOM 320 C GLN G 182 -57.499 0.676 43.932 1.00 3.71 C +ATOM 321 O GLN G 182 -57.015 1.664 44.487 1.00 3.66 O +ATOM 322 CB GLN G 182 -59.889 0.095 44.426 1.00 3.80 C +ATOM 323 CG GLN G 182 -59.867 0.770 45.797 1.00 4.00 C +ATOM 324 CD GLN G 182 -60.929 0.233 46.748 1.00 4.27 C +ATOM 325 OE1 GLN G 182 -61.723 -0.648 46.396 1.00 4.38 O +ATOM 326 NE2 GLN G 182 -60.945 0.768 47.968 1.00 4.23 N +ATOM 327 N ILE G 183 -56.837 -0.466 43.772 1.00 3.67 N +ATOM 328 CA ILE G 183 -55.448 -0.626 44.195 1.00 3.65 C +ATOM 329 C ILE G 183 -54.536 0.314 43.405 1.00 3.71 C +ATOM 330 O ILE G 183 -53.687 0.993 43.984 1.00 3.73 O +ATOM 331 CB ILE G 183 -54.970 -2.087 44.030 1.00 3.62 C +ATOM 332 CG1 ILE G 183 -55.689 -2.997 45.029 1.00 3.55 C +ATOM 333 CG2 ILE G 183 -53.467 -2.194 44.240 1.00 3.49 C +ATOM 334 CD1 ILE G 183 -55.434 -4.476 44.804 1.00 3.27 C +ATOM 335 N ASN G 184 -54.725 0.356 42.088 1.00 3.74 N +ATOM 336 CA ASN G 184 -53.940 1.238 41.220 1.00 3.79 C +ATOM 337 C ASN G 184 -54.250 2.722 41.425 1.00 3.75 C +ATOM 338 O ASN G 184 -53.403 3.575 41.155 1.00 3.76 O +ATOM 339 CB ASN G 184 -54.138 0.862 39.746 1.00 3.82 C +ATOM 340 CG ASN G 184 -53.485 -0.466 39.385 1.00 4.03 C +ATOM 341 OD1 ASN G 184 -52.613 -0.968 40.102 1.00 4.24 O +ATOM 342 ND2 ASN G 184 -53.903 -1.038 38.260 1.00 4.19 N +ATOM 343 N THR G 185 -55.460 3.025 41.895 1.00 3.75 N +ATOM 344 CA THR G 185 -55.840 4.403 42.224 1.00 3.73 C +ATOM 345 C THR G 185 -55.063 4.900 43.443 1.00 3.69 C +ATOM 346 O THR G 185 -54.604 6.043 43.470 1.00 3.70 O +ATOM 347 CB THR G 185 -57.357 4.533 42.499 1.00 3.72 C +ATOM 348 OG1 THR G 185 -58.093 4.160 41.328 1.00 3.78 O +ATOM 349 CG2 THR G 185 -57.722 5.964 42.882 1.00 3.69 C +ATOM 350 N VAL G 186 -54.924 4.035 44.445 1.00 3.64 N +ATOM 351 CA VAL G 186 -54.144 4.346 45.643 1.00 3.59 C +ATOM 352 C VAL G 186 -52.644 4.348 45.344 1.00 3.59 C +ATOM 353 O VAL G 186 -51.897 5.143 45.915 1.00 3.57 O +ATOM 354 CB VAL G 186 -54.443 3.353 46.785 1.00 3.58 C +ATOM 355 CG1 VAL G 186 -53.525 3.599 47.976 1.00 3.52 C +ATOM 356 CG2 VAL G 186 -55.901 3.462 47.207 1.00 3.58 C +ATOM 357 N CYS G 187 -52.207 3.465 44.448 1.00 3.59 N +ATOM 358 CA CYS G 187 -50.797 3.410 44.046 1.00 3.60 C +ATOM 359 C CYS G 187 -50.344 4.710 43.373 1.00 3.61 C +ATOM 360 O CYS G 187 -49.249 5.198 43.643 1.00 3.55 O +ATOM 361 CB CYS G 187 -50.536 2.214 43.127 1.00 3.60 C +ATOM 362 SG CYS G 187 -50.511 0.620 43.987 1.00 3.57 S +ATOM 363 N ASP G 188 -51.191 5.261 42.504 1.00 3.64 N +ATOM 364 CA ASP G 188 -50.931 6.569 41.884 1.00 3.65 C +ATOM 365 C ASP G 188 -51.015 7.713 42.897 1.00 3.62 C +ATOM 366 O ASP G 188 -50.332 8.727 42.753 1.00 3.60 O +ATOM 367 CB ASP G 188 -51.912 6.830 40.732 1.00 3.66 C +ATOM 368 CG ASP G 188 -51.611 5.992 39.498 1.00 3.74 C +ATOM 369 OD1 ASP G 188 -52.238 6.243 38.446 1.00 3.86 O +ATOM 370 OD2 ASP G 188 -50.752 5.087 39.573 1.00 3.83 O +ATOM 371 N GLU G 189 -51.860 7.544 43.911 1.00 3.61 N +ATOM 372 CA GLU G 189 -52.017 8.533 44.976 1.00 3.63 C +ATOM 373 C GLU G 189 -50.787 8.564 45.883 1.00 3.64 C +ATOM 374 O GLU G 189 -50.251 9.633 46.178 1.00 3.65 O +ATOM 375 CB GLU G 189 -53.274 8.226 45.793 1.00 3.64 C +ATOM 376 CG GLU G 189 -53.656 9.302 46.802 1.00 3.65 C +ATOM 377 CD GLU G 189 -55.109 9.201 47.258 1.00 3.61 C +ATOM 378 OE1 GLU G 189 -55.734 8.134 47.060 1.00 3.18 O +ATOM 379 OE2 GLU G 189 -55.625 10.194 47.816 1.00 3.56 O +ATOM 380 N LEU G 190 -50.340 7.384 46.307 1.00 3.65 N +ATOM 381 CA LEU G 190 -49.155 7.250 47.162 1.00 3.66 C +ATOM 382 C LEU G 190 -47.840 7.166 46.366 1.00 3.69 C +ATOM 383 O LEU G 190 -46.765 7.019 46.953 1.00 3.67 O +ATOM 384 CB LEU G 190 -49.296 6.021 48.068 1.00 3.63 C +ATOM 385 CG LEU G 190 -50.573 5.933 48.913 1.00 3.62 C +ATOM 386 CD1 LEU G 190 -50.590 4.641 49.717 1.00 3.69 C +ATOM 387 CD2 LEU G 190 -50.721 7.136 49.831 1.00 3.51 C +ATOM 388 N TYR G 191 -47.936 7.259 45.039 1.00 3.70 N +ATOM 389 CA TYR G 191 -46.773 7.234 44.140 1.00 3.69 C +ATOM 390 C TYR G 191 -45.988 5.920 44.225 1.00 3.69 C +ATOM 391 O TYR G 191 -44.754 5.918 44.243 1.00 3.72 O +ATOM 392 CB TYR G 191 -45.859 8.440 44.395 1.00 3.69 C +ATOM 393 CG TYR G 191 -46.603 9.758 44.440 1.00 3.74 C +ATOM 394 CD1 TYR G 191 -46.818 10.419 45.648 1.00 3.77 C +ATOM 395 CD2 TYR G 191 -47.106 10.337 43.277 1.00 3.72 C +ATOM 396 CE1 TYR G 191 -47.504 11.627 45.696 1.00 3.72 C +ATOM 397 CE2 TYR G 191 -47.795 11.545 43.314 1.00 3.66 C +ATOM 398 CZ TYR G 191 -47.990 12.184 44.527 1.00 3.70 C +ATOM 399 OH TYR G 191 -48.671 13.379 44.574 1.00 3.69 O +ATOM 400 N ILE G 192 -46.721 4.809 44.275 1.00 3.66 N +ATOM 401 CA ILE G 192 -46.133 3.473 44.234 1.00 3.65 C +ATOM 402 C ILE G 192 -46.071 3.013 42.780 1.00 3.64 C +ATOM 403 O ILE G 192 -47.103 2.766 42.157 1.00 3.64 O +ATOM 404 CB ILE G 192 -46.965 2.447 45.042 1.00 3.69 C +ATOM 405 CG1 ILE G 192 -47.212 2.937 46.469 1.00 3.72 C +ATOM 406 CG2 ILE G 192 -46.260 1.101 45.079 1.00 3.74 C +ATOM 407 CD1 ILE G 192 -45.953 3.164 47.257 1.00 4.00 C +ATOM 408 N TYR G 193 -44.860 2.916 42.241 1.00 3.65 N +ATOM 409 CA TYR G 193 -44.650 2.428 40.881 1.00 3.68 C +ATOM 410 C TYR G 193 -43.945 1.080 40.940 1.00 3.69 C +ATOM 411 O TYR G 193 -42.738 1.005 41.172 1.00 3.68 O +ATOM 412 CB TYR G 193 -43.822 3.420 40.065 1.00 3.72 C +ATOM 413 CG TYR G 193 -44.455 4.787 39.914 1.00 3.81 C +ATOM 414 CD1 TYR G 193 -45.463 5.012 38.977 1.00 3.89 C +ATOM 415 CD2 TYR G 193 -44.036 5.860 40.698 1.00 3.81 C +ATOM 416 CE1 TYR G 193 -46.041 6.272 38.830 1.00 3.90 C +ATOM 417 CE2 TYR G 193 -44.606 7.120 40.560 1.00 3.82 C +ATOM 418 CZ TYR G 193 -45.606 7.320 39.626 1.00 3.87 C +ATOM 419 OH TYR G 193 -46.168 8.568 39.490 1.00 3.87 O +ATOM 420 N CYS G 194 -44.711 0.015 40.730 1.00 3.73 N +ATOM 421 CA CYS G 194 -44.190 -1.340 40.833 1.00 3.76 C +ATOM 422 C CYS G 194 -43.286 -1.680 39.654 1.00 3.70 C +ATOM 423 O CYS G 194 -43.614 -1.387 38.506 1.00 3.68 O +ATOM 424 CB CYS G 194 -45.344 -2.339 40.914 1.00 3.78 C +ATOM 425 SG CYS G 194 -46.339 -2.148 42.404 1.00 4.05 S +ATOM 426 N SER G 195 -42.146 -2.292 39.955 1.00 3.68 N +ATOM 427 CA SER G 195 -41.218 -2.750 38.929 1.00 3.66 C +ATOM 428 C SER G 195 -41.646 -4.121 38.400 1.00 3.66 C +ATOM 429 O SER G 195 -42.635 -4.695 38.859 1.00 3.60 O +ATOM 430 CB SER G 195 -39.792 -2.804 39.490 1.00 3.67 C +ATOM 431 OG SER G 195 -39.735 -3.578 40.673 1.00 3.72 O +ATOM 432 N ARG G 196 -40.901 -4.627 37.422 1.00 3.66 N +ATOM 433 CA ARG G 196 -41.158 -5.934 36.827 1.00 3.65 C +ATOM 434 C ARG G 196 -40.017 -6.896 37.131 1.00 3.66 C +ATOM 435 O ARG G 196 -38.886 -6.472 37.378 1.00 3.69 O +ATOM 436 CB ARG G 196 -41.313 -5.788 35.316 1.00 3.67 C +ATOM 437 CG ARG G 196 -42.578 -5.055 34.898 1.00 3.89 C +ATOM 438 CD ARG G 196 -43.764 -6.005 34.760 1.00 4.12 C +ATOM 439 NE ARG G 196 -43.605 -6.907 33.618 1.00 4.30 N +ATOM 440 CZ ARG G 196 -43.782 -6.564 32.341 1.00 4.45 C +ATOM 441 NH1 ARG G 196 -44.130 -5.323 32.006 1.00 4.40 N +ATOM 442 NH2 ARG G 196 -43.607 -7.473 31.384 1.00 4.58 N +ATOM 443 N CYS G 197 -40.322 -8.190 37.112 1.00 3.65 N +ATOM 444 CA CYS G 197 -39.309 -9.226 37.317 1.00 3.69 C +ATOM 445 C CYS G 197 -38.391 -9.328 36.106 1.00 3.60 C +ATOM 446 O CYS G 197 -38.811 -9.073 34.976 1.00 3.51 O +ATOM 447 CB CYS G 197 -39.964 -10.593 37.563 1.00 3.73 C +ATOM 448 SG CYS G 197 -40.755 -10.792 39.178 1.00 4.09 S +ATOM 449 N THR G 198 -37.139 -9.707 36.345 1.00 3.58 N +ATOM 450 CA THR G 198 -36.214 -10.009 35.256 1.00 3.59 C +ATOM 451 C THR G 198 -36.567 -11.378 34.679 1.00 3.57 C +ATOM 452 O THR G 198 -37.459 -12.061 35.183 1.00 3.59 O +ATOM 453 CB THR G 198 -34.742 -10.006 35.725 1.00 3.60 C +ATOM 454 OG1 THR G 198 -34.538 -11.035 36.699 1.00 3.74 O +ATOM 455 CG2 THR G 198 -34.365 -8.656 36.325 1.00 3.43 C +ATOM 456 N SER G 199 -35.877 -11.768 33.613 1.00 3.58 N +ATOM 457 CA SER G 199 -36.069 -13.089 33.011 1.00 3.49 C +ATOM 458 C SER G 199 -35.689 -14.197 33.996 1.00 3.44 C +ATOM 459 O SER G 199 -36.368 -15.217 34.086 1.00 3.31 O +ATOM 460 CB SER G 199 -35.238 -13.215 31.732 1.00 3.50 C +ATOM 461 OG SER G 199 -35.464 -14.456 31.093 1.00 3.47 O +ATOM 462 N ASP G 200 -34.605 -13.980 34.739 1.00 3.45 N +ATOM 463 CA ASP G 200 -34.148 -14.934 35.748 1.00 3.47 C +ATOM 464 C ASP G 200 -35.147 -15.040 36.902 1.00 3.50 C +ATOM 465 O ASP G 200 -35.542 -16.139 37.295 1.00 3.46 O +ATOM 466 CB ASP G 200 -32.779 -14.518 36.298 1.00 3.46 C +ATOM 467 CG ASP G 200 -31.686 -14.525 35.237 1.00 3.58 C +ATOM 468 OD1 ASP G 200 -30.719 -13.745 35.381 1.00 3.76 O +ATOM 469 OD2 ASP G 200 -31.787 -15.302 34.264 1.00 3.60 O +ATOM 470 N GLN G 201 -35.555 -13.888 37.428 1.00 3.44 N +ATOM 471 CA GLN G 201 -36.446 -13.825 38.586 1.00 3.41 C +ATOM 472 C GLN G 201 -37.780 -14.531 38.354 1.00 3.36 C +ATOM 473 O GLN G 201 -38.224 -15.310 39.195 1.00 3.36 O +ATOM 474 CB GLN G 201 -36.690 -12.369 38.986 1.00 3.39 C +ATOM 475 CG GLN G 201 -35.503 -11.723 39.684 1.00 3.48 C +ATOM 476 CD GLN G 201 -35.666 -10.226 39.890 1.00 3.36 C +ATOM 477 OE1 GLN G 201 -36.513 -9.583 39.266 1.00 3.11 O +ATOM 478 NE2 GLN G 201 -34.847 -9.664 40.768 1.00 3.10 N +ATOM 479 N LEU G 202 -38.412 -14.254 37.218 1.00 3.33 N +ATOM 480 CA LEU G 202 -39.684 -14.886 36.863 1.00 3.26 C +ATOM 481 C LEU G 202 -39.559 -16.405 36.856 1.00 3.27 C +ATOM 482 O LEU G 202 -40.406 -17.114 37.411 1.00 3.20 O +ATOM 483 CB LEU G 202 -40.162 -14.404 35.489 1.00 3.29 C +ATOM 484 CG LEU G 202 -41.494 -14.965 34.973 1.00 3.04 C +ATOM 485 CD1 LEU G 202 -42.607 -14.705 35.968 1.00 2.84 C +ATOM 486 CD2 LEU G 202 -41.839 -14.367 33.620 1.00 2.65 C +ATOM 487 N HIS G 203 -38.496 -16.895 36.227 1.00 3.27 N +ATOM 488 CA HIS G 203 -38.253 -18.331 36.141 1.00 3.31 C +ATOM 489 C HIS G 203 -37.994 -18.952 37.518 1.00 3.40 C +ATOM 490 O HIS G 203 -38.398 -20.091 37.772 1.00 3.34 O +ATOM 491 CB HIS G 203 -37.089 -18.634 35.197 1.00 3.27 C +ATOM 492 CG HIS G 203 -37.045 -20.058 34.744 1.00 3.04 C +ATOM 493 ND1 HIS G 203 -36.208 -20.993 35.311 1.00 2.91 N +ATOM 494 CD2 HIS G 203 -37.753 -20.711 33.794 1.00 2.94 C +ATOM 495 CE1 HIS G 203 -36.394 -22.160 34.722 1.00 2.84 C +ATOM 496 NE2 HIS G 203 -37.327 -22.016 33.799 1.00 2.93 N +ATOM 497 N ILE G 204 -37.330 -18.203 38.400 1.00 3.41 N +ATOM 498 CA ILE G 204 -37.091 -18.658 39.772 1.00 3.43 C +ATOM 499 C ILE G 204 -38.400 -18.816 40.546 1.00 3.36 C +ATOM 500 O ILE G 204 -38.556 -19.767 41.304 1.00 3.35 O +ATOM 501 CB ILE G 204 -36.135 -17.715 40.543 1.00 3.44 C +ATOM 502 CG1 ILE G 204 -34.724 -17.825 39.979 1.00 3.48 C +ATOM 503 CG2 ILE G 204 -36.090 -18.078 42.023 1.00 3.31 C +ATOM 504 CD1 ILE G 204 -33.815 -16.715 40.422 1.00 3.99 C +ATOM 505 N LEU G 205 -39.335 -17.891 40.347 1.00 3.40 N +ATOM 506 CA LEU G 205 -40.647 -17.970 40.999 1.00 3.45 C +ATOM 507 C LEU G 205 -41.472 -19.155 40.493 1.00 3.48 C +ATOM 508 O LEU G 205 -42.346 -19.654 41.202 1.00 3.51 O +ATOM 509 CB LEU G 205 -41.432 -16.666 40.809 1.00 3.47 C +ATOM 510 CG LEU G 205 -41.001 -15.482 41.678 1.00 3.51 C +ATOM 511 CD1 LEU G 205 -41.639 -14.191 41.193 1.00 3.69 C +ATOM 512 CD2 LEU G 205 -41.346 -15.731 43.139 1.00 3.35 C +ATOM 513 N LYS G 206 -41.196 -19.596 39.268 1.00 3.48 N +ATOM 514 CA LYS G 206 -41.835 -20.786 38.708 1.00 3.45 C +ATOM 515 C LYS G 206 -41.161 -22.056 39.225 1.00 3.51 C +ATOM 516 O LYS G 206 -41.828 -22.959 39.725 1.00 3.52 O +ATOM 517 CB LYS G 206 -41.787 -20.752 37.176 1.00 3.45 C +ATOM 518 CG LYS G 206 -42.629 -19.644 36.543 1.00 3.26 C +ATOM 519 CD LYS G 206 -42.278 -19.438 35.072 1.00 3.06 C +ATOM 520 CE LYS G 206 -43.232 -18.460 34.399 1.00 2.82 C +ATOM 521 NZ LYS G 206 -42.970 -18.319 32.940 1.00 2.33 N +ATOM 522 N VAL G 207 -39.836 -22.114 39.112 1.00 3.62 N +ATOM 523 CA VAL G 207 -39.066 -23.297 39.525 1.00 3.67 C +ATOM 524 C VAL G 207 -39.256 -23.621 41.014 1.00 3.68 C +ATOM 525 O VAL G 207 -39.352 -24.793 41.388 1.00 3.63 O +ATOM 526 CB VAL G 207 -37.551 -23.144 39.196 1.00 3.66 C +ATOM 527 CG1 VAL G 207 -36.911 -22.076 40.060 1.00 3.91 C +ATOM 528 CG2 VAL G 207 -36.823 -24.465 39.375 1.00 3.68 C +ATOM 529 N LEU G 208 -39.331 -22.578 41.845 1.00 3.64 N +ATOM 530 CA LEU G 208 -39.587 -22.726 43.287 1.00 3.61 C +ATOM 531 C LEU G 208 -41.090 -22.730 43.622 1.00 3.57 C +ATOM 532 O LEU G 208 -41.479 -22.587 44.783 1.00 3.52 O +ATOM 533 CB LEU G 208 -38.843 -21.642 44.086 1.00 3.59 C +ATOM 534 CG LEU G 208 -37.396 -21.954 44.504 1.00 3.62 C +ATOM 535 CD1 LEU G 208 -36.655 -22.799 43.476 1.00 3.69 C +ATOM 536 CD2 LEU G 208 -36.626 -20.667 44.787 1.00 3.21 C +ATOM 537 N GLY G 209 -41.925 -22.889 42.596 1.00 3.58 N +ATOM 538 CA GLY G 209 -43.341 -23.228 42.768 1.00 3.54 C +ATOM 539 C GLY G 209 -44.291 -22.125 43.201 1.00 3.51 C +ATOM 540 O GLY G 209 -45.418 -22.410 43.590 1.00 3.50 O +ATOM 541 N ILE G 210 -43.858 -20.871 43.130 1.00 3.56 N +ATOM 542 CA ILE G 210 -44.703 -19.754 43.555 1.00 3.57 C +ATOM 543 C ILE G 210 -45.678 -19.363 42.451 1.00 3.61 C +ATOM 544 O ILE G 210 -46.877 -19.234 42.693 1.00 3.65 O +ATOM 545 CB ILE G 210 -43.870 -18.516 43.957 1.00 3.58 C +ATOM 546 CG1 ILE G 210 -42.837 -18.879 45.031 1.00 3.50 C +ATOM 547 CG2 ILE G 210 -44.782 -17.406 44.463 1.00 3.54 C +ATOM 548 CD1 ILE G 210 -43.427 -19.506 46.279 1.00 3.49 C +ATOM 549 N LEU G 211 -45.155 -19.173 41.242 1.00 3.69 N +ATOM 550 CA LEU G 211 -45.965 -18.776 40.092 1.00 3.70 C +ATOM 551 C LEU G 211 -46.207 -19.959 39.159 1.00 3.77 C +ATOM 552 O LEU G 211 -45.399 -20.888 39.111 1.00 3.88 O +ATOM 553 CB LEU G 211 -45.272 -17.651 39.315 1.00 3.70 C +ATOM 554 CG LEU G 211 -45.149 -16.298 40.018 1.00 3.59 C +ATOM 555 CD1 LEU G 211 -44.358 -15.329 39.154 1.00 3.65 C +ATOM 556 CD2 LEU G 211 -46.518 -15.723 40.340 1.00 3.52 C +ATOM 557 N PRO G 212 -47.327 -19.934 38.417 1.00 3.79 N +ATOM 558 CA PRO G 212 -47.555 -20.955 37.399 1.00 3.78 C +ATOM 559 C PRO G 212 -46.601 -20.768 36.220 1.00 3.79 C +ATOM 560 O PRO G 212 -46.230 -19.640 35.898 1.00 3.81 O +ATOM 561 CB PRO G 212 -49.007 -20.717 36.980 1.00 3.74 C +ATOM 562 CG PRO G 212 -49.266 -19.297 37.286 1.00 3.75 C +ATOM 563 CD PRO G 212 -48.430 -18.958 38.479 1.00 3.78 C +ATOM 564 N PHE G 213 -46.216 -21.867 35.581 1.00 3.82 N +ATOM 565 CA PHE G 213 -45.209 -21.822 34.515 1.00 3.79 C +ATOM 566 C PHE G 213 -45.651 -21.066 33.252 1.00 3.77 C +ATOM 567 O PHE G 213 -44.804 -20.653 32.460 1.00 3.80 O +ATOM 568 CB PHE G 213 -44.727 -23.235 34.157 1.00 3.83 C +ATOM 569 CG PHE G 213 -43.504 -23.665 34.922 1.00 3.69 C +ATOM 570 CD1 PHE G 213 -43.605 -24.082 36.242 1.00 3.54 C +ATOM 571 CD2 PHE G 213 -42.249 -23.643 34.322 1.00 3.56 C +ATOM 572 CE1 PHE G 213 -42.480 -24.478 36.953 1.00 3.57 C +ATOM 573 CE2 PHE G 213 -41.117 -24.038 35.025 1.00 3.70 C +ATOM 574 CZ PHE G 213 -41.233 -24.455 36.344 1.00 3.64 C +ATOM 575 N ASN G 214 -46.956 -20.888 33.059 1.00 3.79 N +ATOM 576 CA ASN G 214 -47.460 -20.092 31.931 1.00 3.77 C +ATOM 577 C ASN G 214 -47.243 -18.589 32.119 1.00 3.74 C +ATOM 578 O ASN G 214 -47.152 -17.852 31.137 1.00 3.74 O +ATOM 579 CB ASN G 214 -48.948 -20.364 31.679 1.00 3.75 C +ATOM 580 CG ASN G 214 -49.203 -21.721 31.031 1.00 3.86 C +ATOM 581 OD1 ASN G 214 -48.276 -22.399 30.583 1.00 4.21 O +ATOM 582 ND2 ASN G 214 -50.471 -22.117 30.974 1.00 3.37 N +ATOM 583 N ALA G 215 -47.161 -18.147 33.374 1.00 3.69 N +ATOM 584 CA ALA G 215 -47.052 -16.721 33.707 1.00 3.66 C +ATOM 585 C ALA G 215 -46.040 -15.989 32.820 1.00 3.67 C +ATOM 586 O ALA G 215 -44.836 -16.239 32.918 1.00 3.60 O +ATOM 587 CB ALA G 215 -46.679 -16.550 35.171 1.00 3.66 C +ATOM 588 N PRO G 216 -46.525 -15.081 31.955 1.00 3.66 N +ATOM 589 CA PRO G 216 -45.641 -14.386 31.017 1.00 3.71 C +ATOM 590 C PRO G 216 -44.745 -13.349 31.689 1.00 3.71 C +ATOM 591 O PRO G 216 -43.653 -13.064 31.197 1.00 3.74 O +ATOM 592 CB PRO G 216 -46.623 -13.701 30.063 1.00 3.73 C +ATOM 593 CG PRO G 216 -47.834 -13.463 30.884 1.00 3.65 C +ATOM 594 CD PRO G 216 -47.916 -14.601 31.856 1.00 3.59 C +ATOM 595 N SER G 217 -45.217 -12.789 32.797 1.00 3.77 N +ATOM 596 CA SER G 217 -44.471 -11.787 33.544 1.00 3.80 C +ATOM 597 C SER G 217 -44.945 -11.740 34.989 1.00 3.83 C +ATOM 598 O SER G 217 -45.934 -12.378 35.349 1.00 3.85 O +ATOM 599 CB SER G 217 -44.658 -10.414 32.906 1.00 3.81 C +ATOM 600 OG SER G 217 -46.013 -10.006 32.979 1.00 3.91 O +ATOM 601 N CYS G 218 -44.236 -10.972 35.809 1.00 3.90 N +ATOM 602 CA CYS G 218 -44.584 -10.813 37.216 1.00 3.99 C +ATOM 603 C CYS G 218 -44.068 -9.482 37.743 1.00 3.89 C +ATOM 604 O CYS G 218 -42.935 -9.100 37.461 1.00 4.03 O +ATOM 605 CB CYS G 218 -43.996 -11.957 38.036 1.00 4.05 C +ATOM 606 SG CYS G 218 -44.427 -11.907 39.788 1.00 4.77 S +ATOM 607 N GLY G 219 -44.906 -8.784 38.503 1.00 3.81 N +ATOM 608 CA GLY G 219 -44.547 -7.487 39.068 1.00 3.79 C +ATOM 609 C GLY G 219 -43.962 -7.612 40.462 1.00 3.76 C +ATOM 610 O GLY G 219 -44.152 -8.627 41.136 1.00 3.86 O +ATOM 611 N LEU G 220 -43.249 -6.574 40.890 1.00 3.65 N +ATOM 612 CA LEU G 220 -42.678 -6.524 42.233 1.00 3.62 C +ATOM 613 C LEU G 220 -42.970 -5.189 42.910 1.00 3.60 C +ATOM 614 O LEU G 220 -42.977 -4.142 42.264 1.00 3.58 O +ATOM 615 CB LEU G 220 -41.166 -6.747 42.189 1.00 3.63 C +ATOM 616 CG LEU G 220 -40.677 -8.095 41.656 1.00 3.61 C +ATOM 617 CD1 LEU G 220 -39.153 -8.072 41.501 1.00 3.15 C +ATOM 618 CD2 LEU G 220 -41.121 -9.240 42.556 1.00 3.08 C +ATOM 619 N ILE G 221 -43.208 -5.248 44.218 1.00 3.56 N +ATOM 620 CA ILE G 221 -43.428 -4.062 45.043 1.00 3.49 C +ATOM 621 C ILE G 221 -42.538 -4.184 46.275 1.00 3.46 C +ATOM 622 O ILE G 221 -42.408 -5.267 46.844 1.00 3.36 O +ATOM 623 CB ILE G 221 -44.920 -3.925 45.448 1.00 3.54 C +ATOM 624 CG1 ILE G 221 -45.170 -2.603 46.176 1.00 3.59 C +ATOM 625 CG2 ILE G 221 -45.379 -5.110 46.309 1.00 3.52 C +ATOM 626 CD1 ILE G 221 -46.629 -2.372 46.519 1.00 3.64 C +ATOM 627 N THR G 222 -41.905 -3.083 46.673 1.00 3.49 N +ATOM 628 CA THR G 222 -41.010 -3.109 47.828 1.00 3.44 C +ATOM 629 C THR G 222 -41.813 -3.314 49.110 1.00 3.43 C +ATOM 630 O THR G 222 -42.941 -2.840 49.222 1.00 3.34 O +ATOM 631 CB THR G 222 -40.159 -1.827 47.944 1.00 3.42 C +ATOM 632 OG1 THR G 222 -41.005 -0.674 47.903 1.00 3.37 O +ATOM 633 CG2 THR G 222 -39.142 -1.750 46.811 1.00 3.51 C +ATOM 634 N LEU G 223 -41.225 -4.038 50.060 1.00 3.47 N +ATOM 635 CA LEU G 223 -41.838 -4.289 51.369 1.00 3.52 C +ATOM 636 C LEU G 223 -42.307 -2.992 52.016 1.00 3.52 C +ATOM 637 O LEU G 223 -43.367 -2.949 52.637 1.00 3.62 O +ATOM 638 CB LEU G 223 -40.839 -5.000 52.292 1.00 3.55 C +ATOM 639 CG LEU G 223 -41.268 -5.338 53.726 1.00 3.59 C +ATOM 640 CD1 LEU G 223 -40.535 -6.571 54.227 1.00 3.74 C +ATOM 641 CD2 LEU G 223 -41.025 -4.172 54.665 1.00 3.55 C +ATOM 642 N THR G 224 -41.505 -1.942 51.862 1.00 3.50 N +ATOM 643 CA THR G 224 -41.812 -0.630 52.428 1.00 3.51 C +ATOM 644 C THR G 224 -43.029 0.017 51.750 1.00 3.52 C +ATOM 645 O THR G 224 -43.928 0.516 52.431 1.00 3.51 O +ATOM 646 CB THR G 224 -40.572 0.317 52.390 1.00 3.47 C +ATOM 647 OG1 THR G 224 -40.946 1.622 52.842 1.00 3.51 O +ATOM 648 CG2 THR G 224 -39.977 0.422 50.987 1.00 3.43 C +ATOM 649 N ASP G 225 -43.063 -0.009 50.419 1.00 3.52 N +ATOM 650 CA ASP G 225 -44.199 0.535 49.662 1.00 3.56 C +ATOM 651 C ASP G 225 -45.448 -0.347 49.787 1.00 3.60 C +ATOM 652 O ASP G 225 -46.577 0.151 49.755 1.00 3.58 O +ATOM 653 CB ASP G 225 -43.833 0.703 48.181 1.00 3.57 C +ATOM 654 CG ASP G 225 -42.929 1.904 47.925 1.00 3.64 C +ATOM 655 OD1 ASP G 225 -42.487 2.556 48.895 1.00 4.08 O +ATOM 656 OD2 ASP G 225 -42.665 2.201 46.740 1.00 3.57 O +ATOM 657 N ALA G 226 -45.234 -1.654 49.918 1.00 3.54 N +ATOM 658 CA ALA G 226 -46.321 -2.609 50.107 1.00 3.53 C +ATOM 659 C ALA G 226 -47.069 -2.353 51.413 1.00 3.50 C +ATOM 660 O ALA G 226 -48.292 -2.459 51.464 1.00 3.46 O +ATOM 661 CB ALA G 226 -45.780 -4.032 50.078 1.00 3.54 C +ATOM 662 N GLN G 227 -46.326 -2.018 52.464 1.00 3.54 N +ATOM 663 CA GLN G 227 -46.921 -1.725 53.770 1.00 3.53 C +ATOM 664 C GLN G 227 -47.694 -0.398 53.772 1.00 3.58 C +ATOM 665 O GLN G 227 -48.717 -0.283 54.451 1.00 3.52 O +ATOM 666 CB GLN G 227 -45.853 -1.746 54.870 1.00 3.47 C +ATOM 667 CG GLN G 227 -45.402 -3.160 55.260 1.00 3.35 C +ATOM 668 CD GLN G 227 -44.137 -3.184 56.119 1.00 3.33 C +ATOM 669 OE1 GLN G 227 -43.513 -2.150 56.366 1.00 3.02 O +ATOM 670 NE2 GLN G 227 -43.756 -4.374 56.574 1.00 3.15 N +ATOM 671 N ARG G 228 -47.216 0.590 53.013 1.00 3.61 N +ATOM 672 CA ARG G 228 -47.945 1.857 52.848 1.00 3.63 C +ATOM 673 C ARG G 228 -49.280 1.635 52.148 1.00 3.63 C +ATOM 674 O ARG G 228 -50.291 2.225 52.527 1.00 3.63 O +ATOM 675 CB ARG G 228 -47.135 2.880 52.044 1.00 3.65 C +ATOM 676 CG ARG G 228 -45.936 3.478 52.774 1.00 3.80 C +ATOM 677 CD ARG G 228 -45.821 4.999 52.564 1.00 3.88 C +ATOM 678 NE ARG G 228 -46.061 5.421 51.181 1.00 3.74 N +ATOM 679 CZ ARG G 228 -45.192 5.296 50.178 1.00 3.69 C +ATOM 680 NH1 ARG G 228 -43.995 4.746 50.373 1.00 3.91 N +ATOM 681 NH2 ARG G 228 -45.523 5.719 48.964 1.00 3.47 N +ATOM 682 N LEU G 229 -49.271 0.793 51.119 1.00 3.66 N +ATOM 683 CA LEU G 229 -50.484 0.476 50.366 1.00 3.65 C +ATOM 684 C LEU G 229 -51.506 -0.248 51.234 1.00 3.65 C +ATOM 685 O LEU G 229 -52.700 0.046 51.166 1.00 3.66 O +ATOM 686 CB LEU G 229 -50.151 -0.375 49.135 1.00 3.65 C +ATOM 687 CG LEU G 229 -51.326 -0.794 48.245 1.00 3.56 C +ATOM 688 CD1 LEU G 229 -52.222 0.392 47.922 1.00 3.47 C +ATOM 689 CD2 LEU G 229 -50.815 -1.443 46.969 1.00 3.44 C +ATOM 690 N CYS G 230 -51.034 -1.195 52.042 1.00 3.65 N +ATOM 691 CA CYS G 230 -51.908 -1.937 52.949 1.00 3.70 C +ATOM 692 C CYS G 230 -52.493 -1.025 54.020 1.00 3.71 C +ATOM 693 O CYS G 230 -53.680 -1.116 54.326 1.00 3.74 O +ATOM 694 CB CYS G 230 -51.163 -3.104 53.602 1.00 3.71 C +ATOM 695 SG CYS G 230 -50.815 -4.475 52.478 1.00 3.76 S +ATOM 696 N ASN G 231 -51.659 -0.148 54.579 1.00 3.72 N +ATOM 697 CA ASN G 231 -52.114 0.842 55.560 1.00 3.74 C +ATOM 698 C ASN G 231 -53.276 1.680 55.022 1.00 3.73 C +ATOM 699 O ASN G 231 -54.322 1.799 55.663 1.00 3.64 O +ATOM 700 CB ASN G 231 -50.971 1.783 55.959 1.00 3.79 C +ATOM 701 CG ASN G 231 -49.900 1.103 56.802 1.00 3.89 C +ATOM 702 OD1 ASN G 231 -50.144 0.096 57.465 1.00 4.39 O +ATOM 703 ND2 ASN G 231 -48.701 1.665 56.780 1.00 3.88 N +ATOM 704 N ALA G 232 -53.078 2.250 53.838 1.00 3.73 N +ATOM 705 CA ALA G 232 -54.082 3.106 53.204 1.00 3.72 C +ATOM 706 C ALA G 232 -55.388 2.362 52.908 1.00 3.72 C +ATOM 707 O ALA G 232 -56.475 2.885 53.161 1.00 3.74 O +ATOM 708 CB ALA G 232 -53.521 3.712 51.924 1.00 3.72 C +ATOM 709 N LEU G 233 -55.276 1.142 52.386 1.00 3.68 N +ATOM 710 CA LEU G 233 -56.451 0.368 51.963 1.00 3.64 C +ATOM 711 C LEU G 233 -57.207 -0.327 53.101 1.00 3.63 C +ATOM 712 O LEU G 233 -58.426 -0.493 53.014 1.00 3.65 O +ATOM 713 CB LEU G 233 -56.054 -0.671 50.907 1.00 3.61 C +ATOM 714 CG LEU G 233 -55.746 -0.121 49.513 1.00 3.54 C +ATOM 715 CD1 LEU G 233 -55.120 -1.199 48.643 1.00 3.55 C +ATOM 716 CD2 LEU G 233 -57.006 0.431 48.860 1.00 3.53 C +ATOM 717 N LEU G 234 -56.496 -0.737 54.152 1.00 3.60 N +ATOM 718 CA LEU G 234 -57.095 -1.530 55.236 1.00 3.59 C +ATOM 719 C LEU G 234 -57.513 -0.705 56.454 1.00 3.60 C +ATOM 720 O LEU G 234 -58.549 -0.981 57.061 1.00 3.57 O +ATOM 721 CB LEU G 234 -56.141 -2.646 55.671 1.00 3.60 C +ATOM 722 CG LEU G 234 -55.883 -3.748 54.638 1.00 3.63 C +ATOM 723 CD1 LEU G 234 -54.639 -4.551 54.995 1.00 3.56 C +ATOM 724 CD2 LEU G 234 -57.097 -4.661 54.512 1.00 3.57 C +ATOM 725 N ARG G 235 -56.713 0.297 56.816 1.00 3.67 N +ATOM 726 CA ARG G 235 -57.006 1.124 57.992 1.00 3.71 C +ATOM 727 C ARG G 235 -57.898 2.305 57.614 1.00 3.69 C +ATOM 728 O ARG G 235 -58.854 2.172 56.849 1.00 3.53 O +ATOM 729 CB ARG G 235 -55.726 1.645 58.649 1.00 3.71 C +ATOM 730 CG ARG G 235 -54.572 0.643 58.766 1.00 4.04 C +ATOM 731 CD ARG G 235 -54.974 -0.703 59.360 1.00 4.11 C +ATOM 732 NE ARG G 235 -53.799 -1.477 59.783 1.00 4.16 N +ATOM 733 CZ ARG G 235 -52.943 -2.093 58.962 1.00 4.07 C +ATOM 734 NH1 ARG G 235 -51.914 -2.765 59.466 1.00 3.95 N +ATOM 735 NH2 ARG G 235 -53.098 -2.045 57.643 1.00 4.07 N Added: SwiftApps/modFTdock/input/3eq5-8.pdb =================================================================== --- SwiftApps/modFTdock/input/3eq5-8.pdb (rev 0) +++ SwiftApps/modFTdock/input/3eq5-8.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,754 @@ +ATOM 1 N THR H 142 -23.990 -54.175 49.639 1.00 3.88 N +ATOM 2 CA THR H 142 -23.413 -54.533 50.969 1.00 3.88 C +ATOM 3 C THR H 142 -22.377 -53.516 51.466 1.00 3.83 C +ATOM 4 O THR H 142 -21.859 -53.655 52.575 1.00 3.84 O +ATOM 5 CB THR H 142 -22.761 -55.941 50.936 1.00 3.92 C +ATOM 6 OG1 THR H 142 -21.856 -56.030 49.828 1.00 4.08 O +ATOM 7 CG2 THR H 142 -23.824 -57.029 50.809 1.00 3.90 C +ATOM 8 N GLU H 143 -22.082 -52.497 50.659 1.00 3.75 N +ATOM 9 CA GLU H 143 -21.072 -51.500 51.023 1.00 3.70 C +ATOM 10 C GLU H 143 -21.386 -50.099 50.512 1.00 3.68 C +ATOM 11 O GLU H 143 -22.080 -49.917 49.508 1.00 3.63 O +ATOM 12 CB GLU H 143 -19.677 -51.926 50.534 1.00 3.70 C +ATOM 13 CG GLU H 143 -18.853 -52.709 51.557 1.00 3.59 C +ATOM 14 CD GLU H 143 -18.544 -51.915 52.821 1.00 3.52 C +ATOM 15 OE1 GLU H 143 -18.195 -52.546 53.840 1.00 3.57 O +ATOM 16 OE2 GLU H 143 -18.651 -50.668 52.804 1.00 3.26 O +ATOM 17 N LEU H 144 -20.830 -49.123 51.226 1.00 3.67 N +ATOM 18 CA LEU H 144 -21.059 -47.704 50.985 1.00 3.64 C +ATOM 19 C LEU H 144 -19.823 -47.080 50.352 1.00 3.66 C +ATOM 20 O LEU H 144 -18.727 -47.163 50.903 1.00 3.72 O +ATOM 21 CB LEU H 144 -21.374 -47.007 52.313 1.00 3.61 C +ATOM 22 CG LEU H 144 -21.378 -45.478 52.364 1.00 3.48 C +ATOM 23 CD1 LEU H 144 -22.195 -44.878 51.234 1.00 3.65 C +ATOM 24 CD2 LEU H 144 -21.913 -45.028 53.708 1.00 3.61 C +ATOM 25 N THR H 145 -20.013 -46.452 49.198 1.00 3.71 N +ATOM 26 CA THR H 145 -18.933 -45.790 48.469 1.00 3.75 C +ATOM 27 C THR H 145 -19.097 -44.268 48.567 1.00 3.73 C +ATOM 28 O THR H 145 -19.930 -43.777 49.330 1.00 3.74 O +ATOM 29 CB THR H 145 -18.913 -46.255 46.989 1.00 3.81 C +ATOM 30 OG1 THR H 145 -20.258 -46.429 46.521 1.00 3.77 O +ATOM 31 CG2 THR H 145 -18.160 -47.578 46.853 1.00 3.73 C +ATOM 32 N GLN H 146 -18.286 -43.524 47.821 1.00 3.73 N +ATOM 33 CA GLN H 146 -18.406 -42.068 47.775 1.00 3.77 C +ATOM 34 C GLN H 146 -18.448 -41.551 46.335 1.00 3.84 C +ATOM 35 O GLN H 146 -18.167 -42.285 45.385 1.00 3.89 O +ATOM 36 CB GLN H 146 -17.262 -41.407 48.552 1.00 3.75 C +ATOM 37 CG GLN H 146 -15.862 -41.810 48.102 1.00 3.60 C +ATOM 38 CD GLN H 146 -14.787 -40.960 48.748 1.00 3.39 C +ATOM 39 OE1 GLN H 146 -14.620 -40.972 49.967 1.00 3.29 O +ATOM 40 NE2 GLN H 146 -14.053 -40.213 47.933 1.00 3.24 N +ATOM 41 N THR H 147 -18.827 -40.284 46.191 1.00 3.88 N +ATOM 42 CA THR H 147 -18.852 -39.613 44.890 1.00 3.88 C +ATOM 43 C THR H 147 -18.861 -38.102 45.093 1.00 3.83 C +ATOM 44 O THR H 147 -19.003 -37.628 46.219 1.00 3.94 O +ATOM 45 CB THR H 147 -20.077 -40.031 44.047 1.00 3.89 C +ATOM 46 OG1 THR H 147 -19.883 -39.622 42.689 1.00 3.94 O +ATOM 47 CG2 THR H 147 -21.365 -39.407 44.589 1.00 3.99 C +ATOM 48 N VAL H 148 -18.721 -37.356 44.002 1.00 3.77 N +ATOM 49 CA VAL H 148 -18.592 -35.900 44.075 1.00 3.72 C +ATOM 50 C VAL H 148 -19.767 -35.190 43.409 1.00 3.68 C +ATOM 51 O VAL H 148 -20.186 -35.564 42.315 1.00 3.86 O +ATOM 52 CB VAL H 148 -17.279 -35.429 43.417 1.00 3.74 C +ATOM 53 CG1 VAL H 148 -17.057 -33.939 43.665 1.00 3.38 C +ATOM 54 CG2 VAL H 148 -16.108 -36.244 43.949 1.00 3.71 C +ATOM 55 N LEU H 149 -20.284 -34.165 44.084 1.00 3.60 N +ATOM 56 CA LEU H 149 -21.379 -33.342 43.573 1.00 3.60 C +ATOM 57 C LEU H 149 -21.129 -31.887 43.957 1.00 3.67 C +ATOM 58 O LEU H 149 -21.114 -31.550 45.141 1.00 3.70 O +ATOM 59 CB LEU H 149 -22.715 -33.808 44.156 1.00 3.60 C +ATOM 60 CG LEU H 149 -23.970 -33.048 43.713 1.00 3.52 C +ATOM 61 CD1 LEU H 149 -24.306 -33.376 42.263 1.00 3.16 C +ATOM 62 CD2 LEU H 149 -25.147 -33.368 44.625 1.00 3.23 C +ATOM 63 N GLU H 150 -20.949 -31.036 42.950 1.00 3.76 N +ATOM 64 CA GLU H 150 -20.552 -29.633 43.145 1.00 3.84 C +ATOM 65 C GLU H 150 -19.251 -29.515 43.957 1.00 3.82 C +ATOM 66 O GLU H 150 -19.157 -28.742 44.915 1.00 3.66 O +ATOM 67 CB GLU H 150 -21.690 -28.823 43.777 1.00 3.87 C +ATOM 68 CG GLU H 150 -22.976 -28.828 42.955 1.00 4.02 C +ATOM 69 CD GLU H 150 -22.808 -28.205 41.577 1.00 4.57 C +ATOM 70 OE1 GLU H 150 -22.057 -27.209 41.443 1.00 4.66 O +ATOM 71 OE2 GLU H 150 -23.436 -28.713 40.622 1.00 5.06 O +ATOM 72 N GLY H 151 -18.257 -30.305 43.550 1.00 3.87 N +ATOM 73 CA GLY H 151 -16.940 -30.331 44.190 1.00 3.88 C +ATOM 74 C GLY H 151 -16.939 -30.846 45.617 1.00 3.93 C +ATOM 75 O GLY H 151 -15.926 -30.740 46.320 1.00 3.85 O +ATOM 76 N GLU H 152 -18.063 -31.423 46.035 1.00 3.87 N +ATOM 77 CA GLU H 152 -18.287 -31.774 47.431 1.00 3.94 C +ATOM 78 C GLU H 152 -18.625 -33.254 47.559 1.00 3.83 C +ATOM 79 O GLU H 152 -19.418 -33.790 46.786 1.00 3.74 O +ATOM 80 CB GLU H 152 -19.408 -30.912 48.021 1.00 3.94 C +ATOM 81 CG GLU H 152 -19.539 -31.002 49.532 1.00 4.18 C +ATOM 82 CD GLU H 152 -18.234 -30.724 50.274 1.00 4.52 C +ATOM 83 OE1 GLU H 152 -17.979 -31.432 51.270 1.00 4.27 O +ATOM 84 OE2 GLU H 152 -17.465 -29.821 49.858 1.00 4.36 O +ATOM 85 N SER H 153 -18.008 -33.899 48.543 1.00 3.80 N +ATOM 86 CA SER H 153 -18.057 -35.345 48.679 1.00 3.87 C +ATOM 87 C SER H 153 -19.353 -35.770 49.344 1.00 3.86 C +ATOM 88 O SER H 153 -19.721 -35.237 50.389 1.00 4.03 O +ATOM 89 CB SER H 153 -16.868 -35.838 49.500 1.00 3.93 C +ATOM 90 OG SER H 153 -16.818 -37.251 49.526 1.00 4.39 O +ATOM 91 N ILE H 154 -20.037 -36.731 48.730 1.00 3.81 N +ATOM 92 CA ILE H 154 -21.332 -37.213 49.209 1.00 3.75 C +ATOM 93 C ILE H 154 -21.326 -38.740 49.267 1.00 3.65 C +ATOM 94 O ILE H 154 -20.803 -39.395 48.363 1.00 3.68 O +ATOM 95 CB ILE H 154 -22.485 -36.722 48.290 1.00 3.79 C +ATOM 96 CG1 ILE H 154 -23.017 -35.366 48.763 1.00 3.86 C +ATOM 97 CG2 ILE H 154 -23.634 -37.705 48.281 1.00 3.63 C +ATOM 98 CD1 ILE H 154 -22.047 -34.237 48.609 1.00 3.91 C +ATOM 99 N SER H 155 -21.903 -39.295 50.332 1.00 3.52 N +ATOM 100 CA SER H 155 -22.021 -40.746 50.490 1.00 3.49 C +ATOM 101 C SER H 155 -23.037 -41.309 49.507 1.00 3.37 C +ATOM 102 O SER H 155 -24.080 -40.697 49.268 1.00 3.20 O +ATOM 103 CB SER H 155 -22.469 -41.105 51.907 1.00 3.52 C +ATOM 104 OG SER H 155 -21.598 -40.560 52.879 1.00 3.90 O +ATOM 105 N CYS H 156 -22.739 -42.477 48.946 1.00 3.30 N +ATOM 106 CA CYS H 156 -23.650 -43.110 48.001 1.00 3.34 C +ATOM 107 C CYS H 156 -23.556 -44.634 48.007 1.00 3.40 C +ATOM 108 O CYS H 156 -22.478 -45.204 48.209 1.00 3.32 O +ATOM 109 CB CYS H 156 -23.416 -42.571 46.586 1.00 3.35 C +ATOM 110 SG CYS H 156 -21.713 -42.690 45.990 1.00 3.12 S +ATOM 111 N PHE H 157 -24.708 -45.273 47.799 1.00 3.34 N +ATOM 112 CA PHE H 157 -24.799 -46.720 47.634 1.00 3.40 C +ATOM 113 C PHE H 157 -24.831 -47.059 46.155 1.00 3.52 C +ATOM 114 O PHE H 157 -25.576 -46.443 45.390 1.00 3.53 O +ATOM 115 CB PHE H 157 -26.080 -47.263 48.269 1.00 3.43 C +ATOM 116 CG PHE H 157 -26.141 -47.102 49.756 1.00 3.42 C +ATOM 117 CD1 PHE H 157 -26.928 -46.111 50.330 1.00 3.33 C +ATOM 118 CD2 PHE H 157 -25.423 -47.948 50.586 1.00 3.33 C +ATOM 119 CE1 PHE H 157 -26.987 -45.962 51.708 1.00 3.26 C +ATOM 120 CE2 PHE H 157 -25.480 -47.807 51.964 1.00 3.33 C +ATOM 121 CZ PHE H 157 -26.261 -46.813 52.526 1.00 3.09 C +ATOM 122 N GLN H 158 -24.035 -48.045 45.753 1.00 3.67 N +ATOM 123 CA GLN H 158 -24.098 -48.575 44.395 1.00 3.77 C +ATOM 124 C GLN H 158 -25.296 -49.517 44.313 1.00 3.82 C +ATOM 125 O GLN H 158 -25.397 -50.469 45.091 1.00 3.90 O +ATOM 126 CB GLN H 158 -22.811 -49.324 44.043 1.00 3.82 C +ATOM 127 CG GLN H 158 -22.748 -49.850 42.606 1.00 3.98 C +ATOM 128 CD GLN H 158 -22.537 -48.753 41.576 1.00 4.27 C +ATOM 129 OE1 GLN H 158 -21.751 -47.825 41.786 1.00 4.37 O +ATOM 130 NE2 GLN H 158 -23.229 -48.864 40.445 1.00 4.33 N +ATOM 131 N VAL H 159 -26.209 -49.235 43.387 1.00 3.79 N +ATOM 132 CA VAL H 159 -27.404 -50.057 43.193 1.00 3.80 C +ATOM 133 C VAL H 159 -27.701 -50.222 41.702 1.00 3.81 C +ATOM 134 O VAL H 159 -28.451 -49.440 41.111 1.00 3.70 O +ATOM 135 CB VAL H 159 -28.637 -49.451 43.908 1.00 3.78 C +ATOM 136 CG1 VAL H 159 -29.863 -50.334 43.708 1.00 3.97 C +ATOM 137 CG2 VAL H 159 -28.360 -49.266 45.387 1.00 3.77 C +ATOM 138 N GLY H 160 -27.089 -51.238 41.102 1.00 3.86 N +ATOM 139 CA GLY H 160 -27.358 -51.604 39.715 1.00 3.87 C +ATOM 140 C GLY H 160 -26.859 -50.604 38.690 1.00 3.89 C +ATOM 141 O GLY H 160 -27.633 -50.093 37.877 1.00 3.98 O +ATOM 142 N GLY H 161 -25.563 -50.314 38.737 1.00 3.87 N +ATOM 143 CA GLY H 161 -24.928 -49.441 37.749 1.00 3.86 C +ATOM 144 C GLY H 161 -25.198 -47.960 37.952 1.00 3.82 C +ATOM 145 O GLY H 161 -24.759 -47.133 37.154 1.00 3.86 O +ATOM 146 N GLU H 162 -25.921 -47.626 39.018 1.00 3.80 N +ATOM 147 CA GLU H 162 -26.178 -46.240 39.381 1.00 3.82 C +ATOM 148 C GLU H 162 -25.715 -45.992 40.810 1.00 3.66 C +ATOM 149 O GLU H 162 -25.888 -46.842 41.684 1.00 3.58 O +ATOM 150 CB GLU H 162 -27.666 -45.915 39.240 1.00 3.87 C +ATOM 151 CG GLU H 162 -28.068 -45.542 37.820 1.00 4.44 C +ATOM 152 CD GLU H 162 -29.555 -45.257 37.669 1.00 5.12 C +ATOM 153 OE1 GLU H 162 -30.365 -45.895 38.375 1.00 5.67 O +ATOM 154 OE2 GLU H 162 -29.914 -44.399 36.830 1.00 5.50 O +ATOM 155 N LYS H 163 -25.106 -44.832 41.032 1.00 3.57 N +ATOM 156 CA LYS H 163 -24.757 -44.400 42.378 1.00 3.58 C +ATOM 157 C LYS H 163 -25.972 -43.686 42.964 1.00 3.53 C +ATOM 158 O LYS H 163 -26.494 -42.748 42.362 1.00 3.42 O +ATOM 159 CB LYS H 163 -23.541 -43.469 42.361 1.00 3.55 C +ATOM 160 CG LYS H 163 -22.332 -44.043 41.629 1.00 3.76 C +ATOM 161 CD LYS H 163 -21.071 -43.215 41.866 1.00 3.88 C +ATOM 162 CE LYS H 163 -20.015 -43.481 40.795 1.00 4.10 C +ATOM 163 NZ LYS H 163 -19.699 -44.930 40.647 1.00 4.05 N +ATOM 164 N ARG H 164 -26.427 -44.150 44.123 1.00 3.47 N +ATOM 165 CA ARG H 164 -27.566 -43.545 44.806 1.00 3.50 C +ATOM 166 C ARG H 164 -27.101 -42.694 45.987 1.00 3.39 C +ATOM 167 O ARG H 164 -26.668 -43.217 47.011 1.00 3.29 O +ATOM 168 CB ARG H 164 -28.543 -44.630 45.260 1.00 3.53 C +ATOM 169 CG ARG H 164 -29.195 -45.359 44.089 1.00 3.88 C +ATOM 170 CD ARG H 164 -30.428 -46.149 44.497 1.00 4.41 C +ATOM 171 NE ARG H 164 -31.275 -46.450 43.341 1.00 5.20 N +ATOM 172 CZ ARG H 164 -32.083 -45.575 42.734 1.00 5.72 C +ATOM 173 NH1 ARG H 164 -32.802 -45.962 41.685 1.00 5.37 N +ATOM 174 NH2 ARG H 164 -32.176 -44.313 43.159 1.00 6.09 N +ATOM 175 N LEU H 165 -27.212 -41.378 45.833 1.00 3.32 N +ATOM 176 CA LEU H 165 -26.679 -40.424 46.806 1.00 3.36 C +ATOM 177 C LEU H 165 -27.611 -40.236 48.002 1.00 3.42 C +ATOM 178 O LEU H 165 -28.833 -40.217 47.851 1.00 3.46 O +ATOM 179 CB LEU H 165 -26.417 -39.068 46.138 1.00 3.24 C +ATOM 180 CG LEU H 165 -25.215 -38.990 45.192 1.00 3.06 C +ATOM 181 CD1 LEU H 165 -25.366 -39.924 44.005 1.00 2.76 C +ATOM 182 CD2 LEU H 165 -25.016 -37.556 44.716 1.00 2.87 C +ATOM 183 N CYS H 166 -27.015 -40.086 49.183 1.00 3.55 N +ATOM 184 CA CYS H 166 -27.754 -39.856 50.429 1.00 3.73 C +ATOM 185 C CYS H 166 -28.383 -38.459 50.438 1.00 3.80 C +ATOM 186 O CYS H 166 -27.681 -37.460 50.621 1.00 3.79 O +ATOM 187 CB CYS H 166 -26.813 -40.011 51.626 1.00 3.77 C +ATOM 188 SG CYS H 166 -27.532 -39.569 53.220 1.00 4.20 S +ATOM 189 N LEU H 167 -29.704 -38.401 50.264 1.00 3.88 N +ATOM 190 CA LEU H 167 -30.401 -37.133 49.991 1.00 3.91 C +ATOM 191 C LEU H 167 -30.227 -36.068 51.078 1.00 3.97 C +ATOM 192 O LEU H 167 -29.972 -34.905 50.753 1.00 4.15 O +ATOM 193 CB LEU H 167 -31.892 -37.366 49.708 1.00 3.88 C +ATOM 194 CG LEU H 167 -32.691 -36.151 49.219 1.00 3.87 C +ATOM 195 CD1 LEU H 167 -32.119 -35.610 47.909 1.00 3.97 C +ATOM 196 CD2 LEU H 167 -34.164 -36.507 49.054 1.00 3.58 C +ATOM 197 N PRO H 168 -30.366 -36.449 52.363 1.00 3.86 N +ATOM 198 CA PRO H 168 -30.085 -35.479 53.428 1.00 3.85 C +ATOM 199 C PRO H 168 -28.701 -34.834 53.313 1.00 3.85 C +ATOM 200 O PRO H 168 -28.557 -33.636 53.549 1.00 3.87 O +ATOM 201 CB PRO H 168 -30.170 -36.325 54.701 1.00 3.82 C +ATOM 202 CG PRO H 168 -31.108 -37.417 54.359 1.00 3.81 C +ATOM 203 CD PRO H 168 -30.869 -37.723 52.908 1.00 3.84 C +ATOM 204 N GLN H 169 -27.702 -35.631 52.944 1.00 3.87 N +ATOM 205 CA GLN H 169 -26.321 -35.162 52.828 1.00 3.82 C +ATOM 206 C GLN H 169 -26.130 -34.296 51.578 1.00 3.80 C +ATOM 207 O GLN H 169 -25.177 -33.517 51.493 1.00 3.76 O +ATOM 208 CB GLN H 169 -25.361 -36.357 52.816 1.00 3.80 C +ATOM 209 CG GLN H 169 -23.897 -35.985 52.961 1.00 4.21 C +ATOM 210 CD GLN H 169 -23.007 -37.175 53.282 1.00 4.68 C +ATOM 211 OE1 GLN H 169 -23.394 -38.327 53.087 1.00 4.77 O +ATOM 212 NE2 GLN H 169 -21.798 -36.897 53.776 1.00 4.77 N +ATOM 213 N VAL H 170 -27.029 -34.449 50.605 1.00 3.81 N +ATOM 214 CA VAL H 170 -27.094 -33.545 49.454 1.00 3.73 C +ATOM 215 C VAL H 170 -27.766 -32.239 49.862 1.00 3.84 C +ATOM 216 O VAL H 170 -27.268 -31.153 49.552 1.00 3.97 O +ATOM 217 CB VAL H 170 -27.864 -34.170 48.273 1.00 3.66 C +ATOM 218 CG1 VAL H 170 -28.214 -33.113 47.229 1.00 3.30 C +ATOM 219 CG2 VAL H 170 -27.050 -35.289 47.654 1.00 3.71 C +ATOM 220 N LEU H 171 -28.885 -32.355 50.576 1.00 3.90 N +ATOM 221 CA LEU H 171 -29.656 -31.189 51.027 1.00 3.96 C +ATOM 222 C LEU H 171 -28.926 -30.295 52.043 1.00 4.01 C +ATOM 223 O LEU H 171 -29.380 -29.183 52.311 1.00 4.12 O +ATOM 224 CB LEU H 171 -31.007 -31.631 51.605 1.00 3.96 C +ATOM 225 CG LEU H 171 -32.138 -31.836 50.588 1.00 4.20 C +ATOM 226 CD1 LEU H 171 -31.658 -32.576 49.338 1.00 4.38 C +ATOM 227 CD2 LEU H 171 -33.308 -32.571 51.231 1.00 4.02 C +ATOM 228 N ASN H 172 -27.815 -30.776 52.604 1.00 3.93 N +ATOM 229 CA ASN H 172 -27.044 -30.013 53.589 1.00 3.98 C +ATOM 230 C ASN H 172 -25.670 -29.547 53.092 1.00 3.95 C +ATOM 231 O ASN H 172 -25.221 -28.462 53.459 1.00 3.89 O +ATOM 232 CB ASN H 172 -26.865 -30.836 54.870 1.00 4.05 C +ATOM 233 CG ASN H 172 -28.189 -31.198 55.530 1.00 4.24 C +ATOM 234 OD1 ASN H 172 -29.237 -30.630 55.213 1.00 4.41 O +ATOM 235 ND2 ASN H 172 -28.145 -32.152 56.456 1.00 4.49 N +ATOM 236 N SER H 173 -25.003 -30.369 52.282 1.00 3.89 N +ATOM 237 CA SER H 173 -23.662 -30.050 51.781 1.00 3.92 C +ATOM 238 C SER H 173 -23.669 -29.348 50.419 1.00 3.85 C +ATOM 239 O SER H 173 -22.617 -28.908 49.952 1.00 3.78 O +ATOM 240 CB SER H 173 -22.801 -31.317 51.692 1.00 3.95 C +ATOM 241 OG SER H 173 -22.676 -31.951 52.953 1.00 4.17 O +ATOM 242 N VAL H 174 -24.838 -29.247 49.782 1.00 3.75 N +ATOM 243 CA VAL H 174 -24.944 -28.607 48.465 1.00 3.61 C +ATOM 244 C VAL H 174 -26.139 -27.651 48.364 1.00 3.55 C +ATOM 245 O VAL H 174 -25.963 -26.473 48.059 1.00 3.51 O +ATOM 246 CB VAL H 174 -24.998 -29.659 47.334 1.00 3.63 C +ATOM 247 CG1 VAL H 174 -25.293 -29.004 45.987 1.00 3.56 C +ATOM 248 CG2 VAL H 174 -23.688 -30.425 47.268 1.00 3.49 C +ATOM 249 N LEU H 175 -27.344 -28.156 48.619 1.00 3.53 N +ATOM 250 CA LEU H 175 -28.572 -27.353 48.495 1.00 3.54 C +ATOM 251 C LEU H 175 -29.087 -26.863 49.853 1.00 3.55 C +ATOM 252 O LEU H 175 -30.289 -26.921 50.137 1.00 3.53 O +ATOM 253 CB LEU H 175 -29.662 -28.159 47.774 1.00 3.54 C +ATOM 254 CG LEU H 175 -29.298 -28.704 46.389 1.00 3.55 C +ATOM 255 CD1 LEU H 175 -30.479 -29.462 45.783 1.00 3.48 C +ATOM 256 CD2 LEU H 175 -28.842 -27.586 45.462 1.00 3.30 C +ATOM 257 N ARG H 176 -28.165 -26.366 50.674 1.00 3.58 N +ATOM 258 CA ARG H 176 -28.472 -25.852 52.013 1.00 3.60 C +ATOM 259 C ARG H 176 -29.474 -24.695 51.961 1.00 3.57 C +ATOM 260 O ARG H 176 -30.352 -24.593 52.815 1.00 3.55 O +ATOM 261 CB ARG H 176 -27.179 -25.383 52.698 1.00 3.64 C +ATOM 262 CG ARG H 176 -27.325 -24.986 54.170 1.00 3.80 C +ATOM 263 CD ARG H 176 -26.987 -26.132 55.119 1.00 4.09 C +ATOM 264 NE ARG H 176 -25.557 -26.197 55.432 1.00 4.13 N +ATOM 265 CZ ARG H 176 -24.925 -25.398 56.291 1.00 4.40 C +ATOM 266 NH1 ARG H 176 -25.575 -24.436 56.943 1.00 4.72 N +ATOM 267 NH2 ARG H 176 -23.623 -25.555 56.496 1.00 4.57 N +ATOM 268 N GLU H 177 -29.342 -23.839 50.950 1.00 3.59 N +ATOM 269 CA GLU H 177 -30.160 -22.627 50.843 1.00 3.67 C +ATOM 270 C GLU H 177 -31.634 -22.915 50.531 1.00 3.62 C +ATOM 271 O GLU H 177 -32.489 -22.059 50.752 1.00 3.62 O +ATOM 272 CB GLU H 177 -29.592 -21.680 49.774 1.00 3.73 C +ATOM 273 CG GLU H 177 -28.126 -21.244 49.973 1.00 4.04 C +ATOM 274 CD GLU H 177 -27.919 -20.274 51.131 1.00 4.35 C +ATOM 275 OE1 GLU H 177 -27.543 -19.109 50.875 1.00 4.65 O +ATOM 276 OE2 GLU H 177 -28.114 -20.674 52.298 1.00 4.74 O +ATOM 277 N PHE H 178 -31.928 -24.108 50.018 1.00 3.56 N +ATOM 278 CA PHE H 178 -33.297 -24.473 49.648 1.00 3.60 C +ATOM 279 C PHE H 178 -33.967 -25.349 50.706 1.00 3.63 C +ATOM 280 O PHE H 178 -33.326 -26.207 51.316 1.00 3.62 O +ATOM 281 CB PHE H 178 -33.301 -25.179 48.293 1.00 3.56 C +ATOM 282 CG PHE H 178 -32.667 -24.373 47.203 1.00 3.49 C +ATOM 283 CD1 PHE H 178 -33.331 -23.287 46.654 1.00 3.45 C +ATOM 284 CD2 PHE H 178 -31.393 -24.680 46.743 1.00 3.63 C +ATOM 285 CE1 PHE H 178 -32.740 -22.525 45.655 1.00 3.45 C +ATOM 286 CE2 PHE H 178 -30.795 -23.925 45.743 1.00 3.46 C +ATOM 287 CZ PHE H 178 -31.471 -22.845 45.198 1.00 3.43 C +ATOM 288 N THR H 179 -35.263 -25.119 50.913 1.00 3.73 N +ATOM 289 CA THR H 179 -36.054 -25.879 51.886 1.00 3.78 C +ATOM 290 C THR H 179 -36.423 -27.248 51.321 1.00 3.87 C +ATOM 291 O THR H 179 -36.376 -27.457 50.112 1.00 3.88 O +ATOM 292 CB THR H 179 -37.355 -25.142 52.262 1.00 3.76 C +ATOM 293 OG1 THR H 179 -38.226 -25.094 51.125 1.00 3.76 O +ATOM 294 CG2 THR H 179 -37.062 -23.724 52.739 1.00 3.71 C +ATOM 295 N LEU H 180 -36.806 -28.170 52.200 1.00 4.02 N +ATOM 296 CA LEU H 180 -37.143 -29.541 51.792 1.00 4.12 C +ATOM 297 C LEU H 180 -38.348 -29.571 50.850 1.00 4.06 C +ATOM 298 O LEU H 180 -38.349 -30.305 49.861 1.00 4.08 O +ATOM 299 CB LEU H 180 -37.403 -30.423 53.022 1.00 4.18 C +ATOM 300 CG LEU H 180 -37.546 -31.935 52.797 1.00 4.44 C +ATOM 301 CD1 LEU H 180 -36.421 -32.489 51.928 1.00 4.51 C +ATOM 302 CD2 LEU H 180 -37.593 -32.669 54.134 1.00 4.60 C +ATOM 303 N GLN H 181 -39.358 -28.763 51.163 1.00 4.05 N +ATOM 304 CA GLN H 181 -40.536 -28.594 50.306 1.00 4.09 C +ATOM 305 C GLN H 181 -40.139 -28.133 48.902 1.00 4.07 C +ATOM 306 O GLN H 181 -40.671 -28.627 47.903 1.00 4.14 O +ATOM 307 CB GLN H 181 -41.503 -27.582 50.937 1.00 4.10 C +ATOM 308 CG GLN H 181 -42.703 -27.193 50.068 1.00 4.30 C +ATOM 309 CD GLN H 181 -43.618 -26.176 50.745 1.00 4.56 C +ATOM 310 OE1 GLN H 181 -43.754 -26.162 51.970 1.00 4.92 O +ATOM 311 NE2 GLN H 181 -44.254 -25.324 49.945 1.00 4.32 N +ATOM 312 N GLN H 182 -39.209 -27.183 48.835 1.00 3.98 N +ATOM 313 CA GLN H 182 -38.731 -26.665 47.556 1.00 3.87 C +ATOM 314 C GLN H 182 -38.008 -27.740 46.746 1.00 3.88 C +ATOM 315 O GLN H 182 -38.247 -27.866 45.546 1.00 3.86 O +ATOM 316 CB GLN H 182 -37.818 -25.452 47.764 1.00 3.84 C +ATOM 317 CG GLN H 182 -38.565 -24.161 48.085 1.00 3.70 C +ATOM 318 CD GLN H 182 -37.636 -22.998 48.407 1.00 3.35 C +ATOM 319 OE1 GLN H 182 -36.476 -23.194 48.764 1.00 3.17 O +ATOM 320 NE2 GLN H 182 -38.150 -21.779 48.285 1.00 3.05 N +ATOM 321 N ILE H 183 -37.130 -28.506 47.396 1.00 3.92 N +ATOM 322 CA ILE H 183 -36.389 -29.575 46.711 1.00 3.92 C +ATOM 323 C ILE H 183 -37.345 -30.623 46.161 1.00 3.89 C +ATOM 324 O ILE H 183 -37.169 -31.097 45.037 1.00 3.90 O +ATOM 325 CB ILE H 183 -35.344 -30.273 47.625 1.00 3.95 C +ATOM 326 CG1 ILE H 183 -34.047 -29.465 47.692 1.00 4.08 C +ATOM 327 CG2 ILE H 183 -35.003 -31.667 47.106 1.00 3.88 C +ATOM 328 CD1 ILE H 183 -34.086 -28.338 48.679 1.00 4.35 C +ATOM 329 N ASN H 184 -38.350 -30.980 46.955 1.00 3.91 N +ATOM 330 CA ASN H 184 -39.366 -31.940 46.525 1.00 3.92 C +ATOM 331 C ASN H 184 -40.139 -31.428 45.310 1.00 3.92 C +ATOM 332 O ASN H 184 -40.480 -32.200 44.414 1.00 4.01 O +ATOM 333 CB ASN H 184 -40.334 -32.263 47.671 1.00 3.88 C +ATOM 334 CG ASN H 184 -39.721 -33.180 48.721 1.00 3.94 C +ATOM 335 OD1 ASN H 184 -38.965 -34.096 48.401 1.00 4.37 O +ATOM 336 ND2 ASN H 184 -40.059 -32.941 49.981 1.00 4.12 N +ATOM 337 N THR H 185 -40.394 -30.123 45.281 1.00 3.89 N +ATOM 338 CA THR H 185 -41.105 -29.502 44.169 1.00 3.88 C +ATOM 339 C THR H 185 -40.292 -29.588 42.881 1.00 3.89 C +ATOM 340 O THR H 185 -40.779 -30.085 41.865 1.00 3.92 O +ATOM 341 CB THR H 185 -41.422 -28.031 44.460 1.00 3.91 C +ATOM 342 OG1 THR H 185 -42.198 -27.941 45.661 1.00 4.13 O +ATOM 343 CG2 THR H 185 -42.202 -27.415 43.306 1.00 3.90 C +ATOM 344 N VAL H 186 -39.055 -29.104 42.925 1.00 3.87 N +ATOM 345 CA VAL H 186 -38.175 -29.165 41.762 1.00 3.83 C +ATOM 346 C VAL H 186 -38.056 -30.607 41.263 1.00 3.93 C +ATOM 347 O VAL H 186 -38.178 -30.869 40.065 1.00 4.03 O +ATOM 348 CB VAL H 186 -36.776 -28.607 42.065 1.00 3.80 C +ATOM 349 CG1 VAL H 186 -35.882 -28.749 40.843 1.00 3.70 C +ATOM 350 CG2 VAL H 186 -36.866 -27.148 42.483 1.00 3.56 C +ATOM 351 N CYS H 187 -37.836 -31.539 42.187 1.00 3.95 N +ATOM 352 CA CYS H 187 -37.772 -32.964 41.847 1.00 4.04 C +ATOM 353 C CYS H 187 -39.003 -33.419 41.066 1.00 4.05 C +ATOM 354 O CYS H 187 -38.890 -34.201 40.117 1.00 4.06 O +ATOM 355 CB CYS H 187 -37.626 -33.818 43.106 1.00 4.03 C +ATOM 356 SG CYS H 187 -35.954 -33.848 43.759 1.00 4.77 S +ATOM 357 N ASP H 188 -40.171 -32.927 41.475 1.00 3.97 N +ATOM 358 CA ASP H 188 -41.423 -33.232 40.789 1.00 3.98 C +ATOM 359 C ASP H 188 -41.424 -32.637 39.378 1.00 3.88 C +ATOM 360 O ASP H 188 -41.648 -33.349 38.402 1.00 3.81 O +ATOM 361 CB ASP H 188 -42.617 -32.704 41.593 1.00 4.00 C +ATOM 362 CG ASP H 188 -43.944 -33.061 40.967 1.00 4.28 C +ATOM 363 OD1 ASP H 188 -44.814 -32.171 40.876 1.00 5.08 O +ATOM 364 OD2 ASP H 188 -44.120 -34.230 40.564 1.00 4.89 O +ATOM 365 N GLU H 189 -41.150 -31.336 39.285 1.00 3.81 N +ATOM 366 CA GLU H 189 -41.035 -30.644 37.994 1.00 3.77 C +ATOM 367 C GLU H 189 -40.060 -31.349 37.052 1.00 3.73 C +ATOM 368 O GLU H 189 -40.288 -31.403 35.845 1.00 3.75 O +ATOM 369 CB GLU H 189 -40.547 -29.206 38.198 1.00 3.84 C +ATOM 370 CG GLU H 189 -41.523 -28.285 38.912 1.00 4.00 C +ATOM 371 CD GLU H 189 -40.878 -26.986 39.376 1.00 4.06 C +ATOM 372 OE1 GLU H 189 -39.783 -26.636 38.880 1.00 4.15 O +ATOM 373 OE2 GLU H 189 -41.475 -26.310 40.239 1.00 4.31 O +ATOM 374 N LEU H 190 -38.972 -31.876 37.618 1.00 3.69 N +ATOM 375 CA LEU H 190 -37.918 -32.548 36.849 1.00 3.63 C +ATOM 376 C LEU H 190 -38.191 -34.033 36.576 1.00 3.63 C +ATOM 377 O LEU H 190 -37.383 -34.699 35.925 1.00 3.58 O +ATOM 378 CB LEU H 190 -36.573 -32.403 37.574 1.00 3.57 C +ATOM 379 CG LEU H 190 -35.997 -30.985 37.667 1.00 3.51 C +ATOM 380 CD1 LEU H 190 -34.760 -30.954 38.568 1.00 3.22 C +ATOM 381 CD2 LEU H 190 -35.668 -30.446 36.284 1.00 3.09 C +ATOM 382 N TYR H 191 -39.326 -34.540 37.059 1.00 3.61 N +ATOM 383 CA TYR H 191 -39.670 -35.961 36.956 1.00 3.63 C +ATOM 384 C TYR H 191 -38.588 -36.842 37.590 1.00 3.71 C +ATOM 385 O TYR H 191 -38.226 -37.890 37.051 1.00 3.62 O +ATOM 386 CB TYR H 191 -39.919 -36.362 35.497 1.00 3.60 C +ATOM 387 CG TYR H 191 -40.766 -37.612 35.335 1.00 3.57 C +ATOM 388 CD1 TYR H 191 -40.203 -38.811 34.896 1.00 3.50 C +ATOM 389 CD2 TYR H 191 -42.133 -37.593 35.617 1.00 3.15 C +ATOM 390 CE1 TYR H 191 -40.979 -39.957 34.748 1.00 3.12 C +ATOM 391 CE2 TYR H 191 -42.914 -38.732 35.469 1.00 2.98 C +ATOM 392 CZ TYR H 191 -42.331 -39.909 35.035 1.00 2.88 C +ATOM 393 OH TYR H 191 -43.100 -41.034 34.888 1.00 2.67 O +ATOM 394 N ILE H 192 -38.081 -36.398 38.740 1.00 3.86 N +ATOM 395 CA ILE H 192 -37.096 -37.152 39.512 1.00 3.98 C +ATOM 396 C ILE H 192 -37.802 -37.982 40.574 1.00 4.06 C +ATOM 397 O ILE H 192 -38.636 -37.461 41.321 1.00 4.09 O +ATOM 398 CB ILE H 192 -36.099 -36.224 40.218 1.00 3.98 C +ATOM 399 CG1 ILE H 192 -35.244 -35.482 39.193 1.00 4.00 C +ATOM 400 CG2 ILE H 192 -35.200 -37.020 41.161 1.00 4.15 C +ATOM 401 CD1 ILE H 192 -34.294 -34.484 39.819 1.00 4.26 C +ATOM 402 N TYR H 193 -37.468 -39.269 40.629 1.00 4.14 N +ATOM 403 CA TYR H 193 -37.988 -40.167 41.658 1.00 4.23 C +ATOM 404 C TYR H 193 -36.889 -40.451 42.672 1.00 4.26 C +ATOM 405 O TYR H 193 -35.861 -41.047 42.332 1.00 4.29 O +ATOM 406 CB TYR H 193 -38.478 -41.478 41.040 1.00 4.28 C +ATOM 407 CG TYR H 193 -38.898 -42.522 42.058 1.00 4.63 C +ATOM 408 CD1 TYR H 193 -37.996 -43.487 42.508 1.00 4.86 C +ATOM 409 CD2 TYR H 193 -40.198 -42.545 42.573 1.00 4.75 C +ATOM 410 CE1 TYR H 193 -38.371 -44.447 43.441 1.00 5.04 C +ATOM 411 CE2 TYR H 193 -40.584 -43.503 43.507 1.00 4.84 C +ATOM 412 CZ TYR H 193 -39.664 -44.450 43.935 1.00 5.17 C +ATOM 413 OH TYR H 193 -40.026 -45.400 44.859 1.00 5.83 O +ATOM 414 N CYS H 194 -37.106 -40.018 43.912 1.00 4.25 N +ATOM 415 CA CYS H 194 -36.177 -40.310 45.001 1.00 4.22 C +ATOM 416 C CYS H 194 -36.597 -41.603 45.690 1.00 4.12 C +ATOM 417 O CYS H 194 -37.728 -41.717 46.175 1.00 4.10 O +ATOM 418 CB CYS H 194 -36.138 -39.160 46.006 1.00 4.28 C +ATOM 419 SG CYS H 194 -35.244 -37.695 45.412 1.00 4.95 S +ATOM 420 N SER H 195 -35.693 -42.580 45.713 1.00 3.98 N +ATOM 421 CA SER H 195 -35.962 -43.860 46.362 1.00 3.95 C +ATOM 422 C SER H 195 -35.748 -43.739 47.868 1.00 3.89 C +ATOM 423 O SER H 195 -35.323 -42.699 48.366 1.00 3.65 O +ATOM 424 CB SER H 195 -35.096 -44.977 45.762 1.00 3.91 C +ATOM 425 OG SER H 195 -33.715 -44.643 45.774 1.00 4.62 O +ATOM 426 N ARG H 196 -36.076 -44.806 48.586 1.00 4.08 N +ATOM 427 CA ARG H 196 -35.979 -44.843 50.042 1.00 4.19 C +ATOM 428 C ARG H 196 -34.972 -45.914 50.456 1.00 4.10 C +ATOM 429 O ARG H 196 -35.004 -47.030 49.938 1.00 4.19 O +ATOM 430 CB ARG H 196 -37.358 -45.153 50.629 1.00 4.26 C +ATOM 431 CG ARG H 196 -37.467 -44.986 52.141 1.00 4.90 C +ATOM 432 CD ARG H 196 -38.872 -44.525 52.558 1.00 5.21 C +ATOM 433 NE ARG H 196 -39.115 -43.138 52.148 1.00 5.88 N +ATOM 434 CZ ARG H 196 -40.250 -42.467 52.345 1.00 6.04 C +ATOM 435 NH1 ARG H 196 -41.284 -43.040 52.957 1.00 6.00 N +ATOM 436 NH2 ARG H 196 -40.354 -41.208 51.922 1.00 6.20 N +ATOM 437 N CYS H 197 -34.079 -45.571 51.379 1.00 4.02 N +ATOM 438 CA CYS H 197 -33.079 -46.520 51.877 1.00 4.11 C +ATOM 439 C CYS H 197 -33.725 -47.824 52.324 1.00 3.85 C +ATOM 440 O CYS H 197 -34.812 -47.817 52.893 1.00 3.62 O +ATOM 441 CB CYS H 197 -32.303 -45.932 53.062 1.00 4.09 C +ATOM 442 SG CYS H 197 -30.826 -45.016 52.611 1.00 5.66 S +ATOM 443 N THR H 198 -33.040 -48.937 52.070 1.00 3.78 N +ATOM 444 CA THR H 198 -33.429 -50.222 52.643 1.00 3.76 C +ATOM 445 C THR H 198 -33.095 -50.216 54.132 1.00 3.73 C +ATOM 446 O THR H 198 -32.483 -49.275 54.640 1.00 3.60 O +ATOM 447 CB THR H 198 -32.713 -51.420 51.964 1.00 3.79 C +ATOM 448 OG1 THR H 198 -31.305 -51.374 52.236 1.00 3.67 O +ATOM 449 CG2 THR H 198 -32.947 -51.413 50.456 1.00 3.75 C +ATOM 450 N SER H 199 -33.503 -51.269 54.829 1.00 3.77 N +ATOM 451 CA SER H 199 -33.196 -51.407 56.248 1.00 3.71 C +ATOM 452 C SER H 199 -31.682 -51.491 56.470 1.00 3.63 C +ATOM 453 O SER H 199 -31.142 -50.821 57.350 1.00 3.52 O +ATOM 454 CB SER H 199 -33.894 -52.637 56.823 1.00 3.67 C +ATOM 455 OG SER H 199 -33.681 -52.731 58.219 1.00 3.92 O +ATOM 456 N ASP H 200 -31.011 -52.310 55.663 1.00 3.65 N +ATOM 457 CA ASP H 200 -29.548 -52.434 55.710 1.00 3.72 C +ATOM 458 C ASP H 200 -28.857 -51.105 55.456 1.00 3.58 C +ATOM 459 O ASP H 200 -27.912 -50.745 56.158 1.00 3.57 O +ATOM 460 CB ASP H 200 -29.051 -53.458 54.680 1.00 3.84 C +ATOM 461 CG ASP H 200 -28.777 -54.816 55.291 1.00 4.27 C +ATOM 462 OD1 ASP H 200 -29.499 -55.781 54.953 1.00 5.02 O +ATOM 463 OD2 ASP H 200 -27.839 -54.913 56.114 1.00 4.66 O +ATOM 464 N GLN H 201 -29.328 -50.390 54.440 1.00 3.48 N +ATOM 465 CA GLN H 201 -28.762 -49.095 54.080 1.00 3.45 C +ATOM 466 C GLN H 201 -28.946 -48.076 55.204 1.00 3.47 C +ATOM 467 O GLN H 201 -28.006 -47.366 55.559 1.00 3.42 O +ATOM 468 CB GLN H 201 -29.367 -48.593 52.766 1.00 3.41 C +ATOM 469 CG GLN H 201 -28.864 -49.381 51.553 1.00 3.35 C +ATOM 470 CD GLN H 201 -29.615 -49.089 50.265 1.00 2.78 C +ATOM 471 OE1 GLN H 201 -30.753 -48.632 50.280 1.00 3.32 O +ATOM 472 NE2 GLN H 201 -28.977 -49.373 49.141 1.00 2.36 N +ATOM 473 N LEU H 202 -30.147 -48.032 55.777 1.00 3.53 N +ATOM 474 CA LEU H 202 -30.441 -47.148 56.910 1.00 3.52 C +ATOM 475 C LEU H 202 -29.590 -47.486 58.135 1.00 3.59 C +ATOM 476 O LEU H 202 -29.198 -46.590 58.881 1.00 3.65 O +ATOM 477 CB LEU H 202 -31.928 -47.220 57.283 1.00 3.59 C +ATOM 478 CG LEU H 202 -32.428 -46.243 58.356 1.00 3.47 C +ATOM 479 CD1 LEU H 202 -32.248 -44.797 57.910 1.00 3.26 C +ATOM 480 CD2 LEU H 202 -33.885 -46.513 58.694 1.00 3.45 C +ATOM 481 N HIS H 203 -29.313 -48.772 58.339 1.00 3.61 N +ATOM 482 CA HIS H 203 -28.493 -49.218 59.465 1.00 3.65 C +ATOM 483 C HIS H 203 -27.037 -48.783 59.287 1.00 3.77 C +ATOM 484 O HIS H 203 -26.440 -48.211 60.200 1.00 3.82 O +ATOM 485 CB HIS H 203 -28.579 -50.741 59.637 1.00 3.61 C +ATOM 486 CG HIS H 203 -27.656 -51.284 60.687 1.00 3.64 C +ATOM 487 ND1 HIS H 203 -27.922 -51.188 62.036 1.00 3.51 N +ATOM 488 CD2 HIS H 203 -26.465 -51.922 60.584 1.00 3.47 C +ATOM 489 CE1 HIS H 203 -26.937 -51.744 62.719 1.00 3.40 C +ATOM 490 NE2 HIS H 203 -26.040 -52.197 61.862 1.00 3.42 N +ATOM 491 N ILE H 204 -26.476 -49.053 58.110 1.00 3.83 N +ATOM 492 CA ILE H 204 -25.080 -48.708 57.809 1.00 3.86 C +ATOM 493 C ILE H 204 -24.799 -47.216 57.999 1.00 3.86 C +ATOM 494 O ILE H 204 -23.775 -46.842 58.572 1.00 3.82 O +ATOM 495 CB ILE H 204 -24.699 -49.113 56.365 1.00 3.84 C +ATOM 496 CG1 ILE H 204 -24.582 -50.638 56.245 1.00 4.20 C +ATOM 497 CG2 ILE H 204 -23.393 -48.462 55.948 1.00 4.04 C +ATOM 498 CD1 ILE H 204 -23.419 -51.249 57.030 1.00 4.55 C +ATOM 499 N LEU H 205 -25.712 -46.372 57.523 1.00 3.93 N +ATOM 500 CA LEU H 205 -25.573 -44.917 57.666 1.00 3.85 C +ATOM 501 C LEU H 205 -25.572 -44.487 59.136 1.00 3.83 C +ATOM 502 O LEU H 205 -24.804 -43.610 59.527 1.00 4.00 O +ATOM 503 CB LEU H 205 -26.687 -44.183 56.906 1.00 3.82 C +ATOM 504 CG LEU H 205 -26.648 -44.251 55.375 1.00 3.49 C +ATOM 505 CD1 LEU H 205 -27.841 -43.516 54.786 1.00 2.99 C +ATOM 506 CD2 LEU H 205 -25.348 -43.682 54.833 1.00 3.26 C +ATOM 507 N LYS H 206 -26.425 -45.110 59.945 1.00 3.74 N +ATOM 508 CA LYS H 206 -26.461 -44.828 61.382 1.00 3.75 C +ATOM 509 C LYS H 206 -25.156 -45.232 62.087 1.00 3.66 C +ATOM 510 O LYS H 206 -24.612 -44.466 62.880 1.00 3.55 O +ATOM 511 CB LYS H 206 -27.653 -45.525 62.043 1.00 3.73 C +ATOM 512 CG LYS H 206 -28.992 -44.868 61.759 1.00 3.92 C +ATOM 513 CD LYS H 206 -30.136 -45.687 62.337 1.00 4.28 C +ATOM 514 CE LYS H 206 -31.495 -45.190 61.867 1.00 4.74 C +ATOM 515 NZ LYS H 206 -31.926 -43.957 62.567 1.00 5.15 N +ATOM 516 N VAL H 207 -24.659 -46.428 61.786 1.00 3.64 N +ATOM 517 CA VAL H 207 -23.431 -46.936 62.403 1.00 3.67 C +ATOM 518 C VAL H 207 -22.238 -46.022 62.106 1.00 3.68 C +ATOM 519 O VAL H 207 -21.447 -45.712 62.998 1.00 3.68 O +ATOM 520 CB VAL H 207 -23.114 -48.375 61.934 1.00 3.65 C +ATOM 521 CG1 VAL H 207 -21.761 -48.830 62.465 1.00 3.83 C +ATOM 522 CG2 VAL H 207 -24.205 -49.335 62.383 1.00 3.61 C +ATOM 523 N LEU H 208 -22.133 -45.581 60.853 1.00 3.64 N +ATOM 524 CA LEU H 208 -21.065 -44.675 60.425 1.00 3.62 C +ATOM 525 C LEU H 208 -21.253 -43.231 60.917 1.00 3.63 C +ATOM 526 O LEU H 208 -20.362 -42.392 60.746 1.00 3.58 O +ATOM 527 CB LEU H 208 -20.945 -44.688 58.895 1.00 3.56 C +ATOM 528 CG LEU H 208 -20.434 -45.986 58.263 1.00 3.50 C +ATOM 529 CD1 LEU H 208 -20.627 -45.955 56.754 1.00 3.07 C +ATOM 530 CD2 LEU H 208 -18.967 -46.228 58.616 1.00 2.95 C +ATOM 531 N GLY H 209 -22.410 -42.941 61.510 1.00 3.56 N +ATOM 532 CA GLY H 209 -22.697 -41.613 62.055 1.00 3.50 C +ATOM 533 C GLY H 209 -23.136 -40.602 61.010 1.00 3.48 C +ATOM 534 O GLY H 209 -23.202 -39.405 61.288 1.00 3.20 O +ATOM 535 N ILE H 210 -23.441 -41.084 59.806 1.00 3.54 N +ATOM 536 CA ILE H 210 -23.891 -40.218 58.722 1.00 3.61 C +ATOM 537 C ILE H 210 -25.277 -39.667 59.064 1.00 3.70 C +ATOM 538 O ILE H 210 -25.548 -38.481 58.865 1.00 3.80 O +ATOM 539 CB ILE H 210 -23.971 -40.965 57.375 1.00 3.59 C +ATOM 540 CG1 ILE H 210 -22.618 -41.587 56.991 1.00 4.13 C +ATOM 541 CG2 ILE H 210 -24.454 -40.027 56.279 1.00 3.70 C +ATOM 542 CD1 ILE H 210 -21.466 -40.609 56.914 1.00 4.38 C +ATOM 543 N LEU H 211 -26.148 -40.540 59.568 1.00 3.61 N +ATOM 544 CA LEU H 211 -27.458 -40.134 60.067 1.00 3.64 C +ATOM 545 C LEU H 211 -27.509 -40.358 61.571 1.00 3.72 C +ATOM 546 O LEU H 211 -26.851 -41.266 62.087 1.00 3.86 O +ATOM 547 CB LEU H 211 -28.572 -40.935 59.395 1.00 3.56 C +ATOM 548 CG LEU H 211 -28.714 -40.774 57.879 1.00 3.35 C +ATOM 549 CD1 LEU H 211 -29.779 -41.725 57.356 1.00 3.40 C +ATOM 550 CD2 LEU H 211 -29.041 -39.339 57.505 1.00 2.76 C +ATOM 551 N PRO H 212 -28.285 -39.528 62.287 1.00 3.72 N +ATOM 552 CA PRO H 212 -28.455 -39.759 63.717 1.00 3.67 C +ATOM 553 C PRO H 212 -29.248 -41.036 63.978 1.00 3.70 C +ATOM 554 O PRO H 212 -29.992 -41.494 63.106 1.00 3.63 O +ATOM 555 CB PRO H 212 -29.238 -38.528 64.179 1.00 3.64 C +ATOM 556 CG PRO H 212 -29.960 -38.063 62.970 1.00 3.60 C +ATOM 557 CD PRO H 212 -29.051 -38.356 61.822 1.00 3.70 C +ATOM 558 N PHE H 213 -29.089 -41.601 65.170 1.00 3.74 N +ATOM 559 CA PHE H 213 -29.779 -42.843 65.539 1.00 3.81 C +ATOM 560 C PHE H 213 -31.312 -42.705 65.462 1.00 3.88 C +ATOM 561 O PHE H 213 -32.017 -43.698 65.276 1.00 3.80 O +ATOM 562 CB PHE H 213 -29.350 -43.303 66.938 1.00 3.76 C +ATOM 563 CG PHE H 213 -30.071 -42.602 68.057 1.00 3.92 C +ATOM 564 CD1 PHE H 213 -29.744 -41.296 68.403 1.00 3.88 C +ATOM 565 CD2 PHE H 213 -31.082 -43.250 68.762 1.00 3.89 C +ATOM 566 CE1 PHE H 213 -30.410 -40.645 69.430 1.00 4.03 C +ATOM 567 CE2 PHE H 213 -31.751 -42.609 69.794 1.00 3.98 C +ATOM 568 CZ PHE H 213 -31.416 -41.303 70.130 1.00 4.17 C +ATOM 569 N ASN H 214 -31.804 -41.473 65.606 1.00 4.02 N +ATOM 570 CA ASN H 214 -33.236 -41.158 65.495 1.00 4.14 C +ATOM 571 C ASN H 214 -33.793 -41.188 64.070 1.00 4.08 C +ATOM 572 O ASN H 214 -35.010 -41.239 63.889 1.00 3.98 O +ATOM 573 CB ASN H 214 -33.526 -39.769 66.090 1.00 4.26 C +ATOM 574 CG ASN H 214 -33.759 -39.802 67.588 1.00 4.65 C +ATOM 575 OD1 ASN H 214 -33.758 -40.866 68.209 1.00 5.45 O +ATOM 576 ND2 ASN H 214 -33.975 -38.627 68.178 1.00 5.15 N +ATOM 577 N ALA H 215 -32.914 -41.128 63.072 1.00 4.05 N +ATOM 578 CA ALA H 215 -33.331 -41.084 61.664 1.00 4.07 C +ATOM 579 C ALA H 215 -34.390 -42.158 61.347 1.00 4.04 C +ATOM 580 O ALA H 215 -34.091 -43.356 61.384 1.00 3.98 O +ATOM 581 CB ALA H 215 -32.121 -41.244 60.749 1.00 4.00 C +ATOM 582 N PRO H 216 -35.631 -41.731 61.042 1.00 4.07 N +ATOM 583 CA PRO H 216 -36.718 -42.689 60.798 1.00 4.13 C +ATOM 584 C PRO H 216 -36.614 -43.369 59.430 1.00 4.11 C +ATOM 585 O PRO H 216 -37.088 -44.494 59.258 1.00 4.31 O +ATOM 586 CB PRO H 216 -37.977 -41.816 60.876 1.00 4.06 C +ATOM 587 CG PRO H 216 -37.517 -40.465 60.434 1.00 4.11 C +ATOM 588 CD PRO H 216 -36.073 -40.335 60.850 1.00 4.07 C +ATOM 589 N SER H 217 -36.012 -42.668 58.474 1.00 4.04 N +ATOM 590 CA ASER H 217 -35.806 -43.185 57.125 0.50 3.97 C +ATOM 591 CA BSER H 217 -35.784 -43.202 57.135 0.50 4.02 C +ATOM 592 C SER H 217 -34.718 -42.358 56.444 1.00 3.98 C +ATOM 593 O SER H 217 -34.122 -41.477 57.066 1.00 3.99 O +ATOM 594 CB ASER H 217 -37.111 -43.110 56.327 0.50 3.92 C +ATOM 595 CB BSER H 217 -37.082 -43.194 56.324 0.50 3.98 C +ATOM 596 OG ASER H 217 -37.538 -41.767 56.174 0.50 3.71 O +ATOM 597 OG BSER H 217 -36.950 -43.992 55.164 0.50 4.09 O +ATOM 598 N CYS H 218 -34.462 -42.636 55.169 1.00 3.96 N +ATOM 599 CA CYS H 218 -33.499 -41.851 54.404 1.00 3.98 C +ATOM 600 C CYS H 218 -33.737 -41.968 52.901 1.00 4.01 C +ATOM 601 O CYS H 218 -33.644 -43.057 52.329 1.00 4.06 O +ATOM 602 CB CYS H 218 -32.074 -42.282 54.735 1.00 3.96 C +ATOM 603 SG CYS H 218 -30.815 -41.271 53.929 1.00 4.37 S +ATOM 604 N GLY H 219 -34.043 -40.837 52.272 1.00 3.95 N +ATOM 605 CA GLY H 219 -34.242 -40.785 50.830 1.00 3.89 C +ATOM 606 C GLY H 219 -32.937 -40.918 50.062 1.00 3.91 C +ATOM 607 O GLY H 219 -31.871 -40.535 50.555 1.00 3.84 O +ATOM 608 N LEU H 220 -33.033 -41.467 48.853 1.00 3.87 N +ATOM 609 CA LEU H 220 -31.888 -41.637 47.964 1.00 3.92 C +ATOM 610 C LEU H 220 -32.182 -41.031 46.591 1.00 3.91 C +ATOM 611 O LEU H 220 -33.323 -41.045 46.129 1.00 3.76 O +ATOM 612 CB LEU H 220 -31.526 -43.119 47.818 1.00 3.93 C +ATOM 613 CG LEU H 220 -30.824 -43.798 49.000 1.00 3.92 C +ATOM 614 CD1 LEU H 220 -30.617 -45.284 48.704 1.00 3.41 C +ATOM 615 CD2 LEU H 220 -29.496 -43.116 49.327 1.00 3.09 C +ATOM 616 N ILE H 221 -31.138 -40.500 45.955 1.00 3.88 N +ATOM 617 CA ILE H 221 -31.250 -39.847 44.653 1.00 3.89 C +ATOM 618 C ILE H 221 -30.061 -40.253 43.777 1.00 3.87 C +ATOM 619 O ILE H 221 -28.922 -40.286 44.247 1.00 3.87 O +ATOM 620 CB ILE H 221 -31.299 -38.303 44.821 1.00 3.97 C +ATOM 621 CG1 ILE H 221 -31.624 -37.607 43.496 1.00 4.12 C +ATOM 622 CG2 ILE H 221 -29.985 -37.773 45.382 1.00 3.89 C +ATOM 623 CD1 ILE H 221 -31.885 -36.118 43.644 1.00 3.98 C +ATOM 624 N THR H 222 -30.321 -40.574 42.513 1.00 3.82 N +ATOM 625 CA THR H 222 -29.246 -40.986 41.606 1.00 3.85 C +ATOM 626 C THR H 222 -28.336 -39.801 41.301 1.00 3.86 C +ATOM 627 O THR H 222 -28.767 -38.646 41.366 1.00 3.92 O +ATOM 628 CB THR H 222 -29.772 -41.565 40.273 1.00 3.83 C +ATOM 629 OG1 THR H 222 -30.317 -40.514 39.466 1.00 3.98 O +ATOM 630 CG2 THR H 222 -30.833 -42.627 40.522 1.00 3.81 C +ATOM 631 N LEU H 223 -27.079 -40.092 40.974 1.00 3.87 N +ATOM 632 CA LEU H 223 -26.110 -39.049 40.631 1.00 3.85 C +ATOM 633 C LEU H 223 -26.593 -38.210 39.453 1.00 3.83 C +ATOM 634 O LEU H 223 -26.514 -36.984 39.485 1.00 3.91 O +ATOM 635 CB LEU H 223 -24.748 -39.665 40.298 1.00 3.88 C +ATOM 636 CG LEU H 223 -23.618 -38.685 39.957 1.00 3.81 C +ATOM 637 CD1 LEU H 223 -23.474 -37.614 41.029 1.00 3.41 C +ATOM 638 CD2 LEU H 223 -22.312 -39.436 39.764 1.00 3.58 C +ATOM 639 N THR H 224 -27.101 -38.884 38.425 1.00 3.85 N +ATOM 640 CA ATHR H 224 -27.591 -38.212 37.221 0.50 3.87 C +ATOM 641 CA BTHR H 224 -27.590 -38.213 37.223 0.50 3.83 C +ATOM 642 C THR H 224 -28.776 -37.292 37.530 1.00 3.84 C +ATOM 643 O THR H 224 -28.870 -36.193 36.985 1.00 3.92 O +ATOM 644 CB ATHR H 224 -27.970 -39.225 36.107 0.50 3.88 C +ATOM 645 CB BTHR H 224 -27.984 -39.234 36.141 0.50 3.83 C +ATOM 646 OG1ATHR H 224 -28.371 -38.519 34.924 0.50 3.87 O +ATOM 647 OG1BTHR H 224 -26.906 -40.160 35.947 0.50 3.66 O +ATOM 648 CG2ATHR H 224 -29.100 -40.148 36.554 0.50 3.94 C +ATOM 649 CG2BTHR H 224 -28.294 -38.534 34.823 0.50 3.80 C +ATOM 650 N ASP H 225 -29.676 -37.738 38.405 1.00 3.81 N +ATOM 651 CA ASP H 225 -30.801 -36.901 38.838 1.00 3.78 C +ATOM 652 C ASP H 225 -30.312 -35.769 39.746 1.00 3.70 C +ATOM 653 O ASP H 225 -30.789 -34.638 39.646 1.00 3.72 O +ATOM 654 CB ASP H 225 -31.870 -37.730 39.566 1.00 3.79 C +ATOM 655 CG ASP H 225 -32.782 -38.506 38.610 1.00 4.20 C +ATOM 656 OD1 ASP H 225 -32.538 -38.510 37.380 1.00 4.60 O +ATOM 657 OD2 ASP H 225 -33.760 -39.114 39.098 1.00 4.08 O +ATOM 658 N ALA H 226 -29.366 -36.076 40.632 1.00 3.61 N +ATOM 659 CA ALA H 226 -28.790 -35.069 41.530 1.00 3.53 C +ATOM 660 C ALA H 226 -28.165 -33.922 40.737 1.00 3.47 C +ATOM 661 O ALA H 226 -28.354 -32.752 41.070 1.00 3.47 O +ATOM 662 CB ALA H 226 -27.760 -35.703 42.449 1.00 3.46 C +ATOM 663 N GLN H 227 -27.431 -34.267 39.683 1.00 3.39 N +ATOM 664 CA GLN H 227 -26.848 -33.273 38.779 1.00 3.45 C +ATOM 665 C GLN H 227 -27.915 -32.420 38.086 1.00 3.44 C +ATOM 666 O GLN H 227 -27.735 -31.214 37.928 1.00 3.43 O +ATOM 667 CB GLN H 227 -25.956 -33.956 37.739 1.00 3.43 C +ATOM 668 CG GLN H 227 -24.658 -34.498 38.329 1.00 3.59 C +ATOM 669 CD GLN H 227 -23.882 -35.380 37.366 1.00 3.84 C +ATOM 670 OE1 GLN H 227 -24.464 -36.155 36.601 1.00 4.04 O +ATOM 671 NE2 GLN H 227 -22.558 -35.274 37.407 1.00 3.53 N +ATOM 672 N ARG H 228 -29.017 -33.049 37.681 1.00 3.43 N +ATOM 673 CA ARG H 228 -30.165 -32.330 37.113 1.00 3.49 C +ATOM 674 C ARG H 228 -30.740 -31.322 38.098 1.00 3.43 C +ATOM 675 O ARG H 228 -31.057 -30.190 37.730 1.00 3.40 O +ATOM 676 CB ARG H 228 -31.285 -33.298 36.709 1.00 3.55 C +ATOM 677 CG ARG H 228 -31.206 -33.827 35.298 1.00 3.67 C +ATOM 678 CD ARG H 228 -32.503 -34.557 34.922 1.00 4.00 C +ATOM 679 NE ARG H 228 -32.590 -34.818 33.488 1.00 3.99 N +ATOM 680 CZ ARG H 228 -32.862 -33.896 32.567 1.00 4.62 C +ATOM 681 NH1 ARG H 228 -33.080 -32.630 32.910 1.00 4.90 N +ATOM 682 NH2 ARG H 228 -32.915 -34.240 31.285 1.00 5.04 N +ATOM 683 N LEU H 229 -30.899 -31.752 39.344 1.00 3.46 N +ATOM 684 CA LEU H 229 -31.454 -30.893 40.385 1.00 3.54 C +ATOM 685 C LEU H 229 -30.532 -29.704 40.627 1.00 3.58 C +ATOM 686 O LEU H 229 -30.984 -28.561 40.687 1.00 3.52 O +ATOM 687 CB LEU H 229 -31.651 -31.683 41.679 1.00 3.51 C +ATOM 688 CG LEU H 229 -32.385 -30.969 42.815 1.00 3.48 C +ATOM 689 CD1 LEU H 229 -33.804 -30.617 42.410 1.00 3.23 C +ATOM 690 CD2 LEU H 229 -32.390 -31.838 44.061 1.00 3.52 C +ATOM 691 N CYS H 230 -29.238 -29.990 40.755 1.00 3.68 N +ATOM 692 CA CYS H 230 -28.223 -28.955 40.959 1.00 3.78 C +ATOM 693 C CYS H 230 -28.109 -28.028 39.751 1.00 3.71 C +ATOM 694 O CYS H 230 -27.980 -26.818 39.916 1.00 3.74 O +ATOM 695 CB CYS H 230 -26.864 -29.586 41.269 1.00 3.80 C +ATOM 696 SG CYS H 230 -26.829 -30.517 42.830 1.00 4.43 S +ATOM 697 N ASN H 231 -28.160 -28.595 38.546 1.00 3.64 N +ATOM 698 CA ASN H 231 -28.167 -27.792 37.318 1.00 3.58 C +ATOM 699 C ASN H 231 -29.403 -26.901 37.222 1.00 3.51 C +ATOM 700 O ASN H 231 -29.319 -25.772 36.747 1.00 3.52 O +ATOM 701 CB ASN H 231 -28.081 -28.682 36.067 1.00 3.54 C +ATOM 702 CG ASN H 231 -26.663 -29.143 35.762 1.00 3.48 C +ATOM 703 OD1 ASN H 231 -25.708 -28.763 36.442 1.00 3.75 O +ATOM 704 ND2 ASN H 231 -26.521 -29.966 34.728 1.00 2.81 N +ATOM 705 N ALA H 232 -30.542 -27.411 37.681 1.00 3.47 N +ATOM 706 CA ALA H 232 -31.807 -26.684 37.603 1.00 3.47 C +ATOM 707 C ALA H 232 -31.847 -25.492 38.553 1.00 3.44 C +ATOM 708 O ALA H 232 -32.331 -24.420 38.195 1.00 3.41 O +ATOM 709 CB ALA H 232 -32.972 -27.624 37.888 1.00 3.45 C +ATOM 710 N LEU H 233 -31.333 -25.684 39.762 1.00 3.51 N +ATOM 711 CA LEU H 233 -31.386 -24.654 40.800 1.00 3.53 C +ATOM 712 C LEU H 233 -30.234 -23.658 40.707 1.00 3.49 C +ATOM 713 O LEU H 233 -30.444 -22.456 40.858 1.00 3.44 O +ATOM 714 CB LEU H 233 -31.406 -25.305 42.186 1.00 3.55 C +ATOM 715 CG LEU H 233 -32.703 -26.050 42.515 1.00 3.53 C +ATOM 716 CD1 LEU H 233 -32.505 -26.997 43.687 1.00 3.53 C +ATOM 717 CD2 LEU H 233 -33.827 -25.067 42.800 1.00 3.39 C +ATOM 718 N LEU H 234 -29.026 -24.162 40.459 1.00 3.56 N +ATOM 719 CA LEU H 234 -27.815 -23.327 40.436 1.00 3.60 C +ATOM 720 C LEU H 234 -27.520 -22.703 39.070 1.00 3.65 C +ATOM 721 O LEU H 234 -26.887 -21.649 39.005 1.00 3.67 O +ATOM 722 CB LEU H 234 -26.588 -24.134 40.883 1.00 3.59 C +ATOM 723 CG LEU H 234 -26.687 -24.912 42.197 1.00 3.49 C +ATOM 724 CD1 LEU H 234 -25.444 -25.769 42.387 1.00 3.24 C +ATOM 725 CD2 LEU H 234 -26.891 -23.974 43.373 1.00 3.42 C +ATOM 726 N ARG H 235 -27.967 -23.349 37.990 1.00 3.67 N +ATOM 727 CA ARG H 235 -27.633 -22.916 36.626 1.00 3.67 C +ATOM 728 C ARG H 235 -28.846 -22.918 35.684 1.00 3.67 C +ATOM 729 O ARG H 235 -28.879 -23.681 34.715 1.00 3.58 O +ATOM 730 CB ARG H 235 -26.517 -23.800 36.051 1.00 3.65 C +ATOM 731 CG ARG H 235 -25.163 -23.599 36.708 1.00 3.67 C +ATOM 732 CD ARG H 235 -24.111 -24.537 36.132 1.00 3.72 C +ATOM 733 NE ARG H 235 -24.242 -25.906 36.633 1.00 3.82 N +ATOM 734 CZ ARG H 235 -23.860 -26.319 37.842 1.00 3.91 C +ATOM 735 NH1 ARG H 235 -23.319 -25.475 38.718 1.00 3.96 N +ATOM 736 NH2 ARG H 235 -24.028 -27.590 38.187 1.00 3.99 N +ATOM 737 N PRO H 236 -29.841 -22.052 35.955 1.00 3.70 N +ATOM 738 CA PRO H 236 -31.032 -21.959 35.105 1.00 3.73 C +ATOM 739 C PRO H 236 -30.751 -21.571 33.647 1.00 3.83 C +ATOM 740 O PRO H 236 -29.616 -21.251 33.292 1.00 3.85 O +ATOM 741 CB PRO H 236 -31.887 -20.887 35.800 1.00 3.71 C +ATOM 742 CG PRO H 236 -30.973 -20.186 36.729 1.00 3.71 C +ATOM 743 CD PRO H 236 -29.957 -21.192 37.144 1.00 3.71 C +ATOM 744 N ARG H 237 -31.806 -21.593 32.835 1.00 3.91 N +ATOM 745 CA ARG H 237 -31.730 -21.425 31.375 1.00 3.97 C +ATOM 746 C ARG H 237 -30.567 -22.201 30.749 1.00 3.99 C +ATOM 747 O ARG H 237 -30.737 -23.343 30.316 1.00 4.01 O +ATOM 748 CB ARG H 237 -31.699 -19.943 30.967 1.00 3.97 C +ATOM 749 CG ARG H 237 -30.493 -19.140 31.434 1.00 4.12 C +ATOM 750 CD ARG H 237 -30.518 -17.734 30.857 1.00 4.27 C +ATOM 751 NE ARG H 237 -30.346 -17.732 29.403 1.00 4.39 N +ATOM 752 CZ ARG H 237 -29.173 -17.726 28.770 1.00 4.48 C +ATOM 753 NH1 ARG H 237 -28.026 -17.731 29.446 1.00 4.52 N +ATOM 754 NH2 ARG H 237 -29.145 -17.719 27.441 1.00 4.55 N Added: SwiftApps/modFTdock/input/3eq5-9.pdb =================================================================== --- SwiftApps/modFTdock/input/3eq5-9.pdb (rev 0) +++ SwiftApps/modFTdock/input/3eq5-9.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,750 @@ +ATOM 1 N LEU I 144 -27.768 15.621 38.511 1.00 3.98 N +ATOM 2 CA LEU I 144 -26.745 14.761 37.852 1.00 3.89 C +ATOM 3 C LEU I 144 -25.579 15.610 37.330 1.00 3.86 C +ATOM 4 O LEU I 144 -25.630 16.141 36.215 1.00 3.83 O +ATOM 5 CB LEU I 144 -27.396 13.964 36.720 1.00 3.90 C +ATOM 6 CG LEU I 144 -26.956 12.510 36.605 1.00 3.89 C +ATOM 7 CD1 LEU I 144 -27.483 11.719 37.781 1.00 3.80 C +ATOM 8 CD2 LEU I 144 -27.451 11.907 35.301 1.00 4.19 C +ATOM 9 N THR I 145 -24.540 15.747 38.153 1.00 3.81 N +ATOM 10 CA THR I 145 -23.335 16.486 37.768 1.00 3.80 C +ATOM 11 C THR I 145 -22.543 15.705 36.725 1.00 3.81 C +ATOM 12 O THR I 145 -22.685 14.485 36.613 1.00 3.79 O +ATOM 13 CB THR I 145 -22.414 16.779 38.980 1.00 3.76 C +ATOM 14 OG1 THR I 145 -22.441 15.673 39.888 1.00 3.97 O +ATOM 15 CG2 THR I 145 -22.855 18.027 39.711 1.00 3.79 C +ATOM 16 N GLN I 146 -21.709 16.419 35.970 1.00 3.84 N +ATOM 17 CA GLN I 146 -20.914 15.823 34.894 1.00 3.86 C +ATOM 18 C GLN I 146 -19.424 15.905 35.190 1.00 3.78 C +ATOM 19 O GLN I 146 -18.911 16.966 35.542 1.00 3.84 O +ATOM 20 CB GLN I 146 -21.201 16.530 33.565 1.00 3.91 C +ATOM 21 CG GLN I 146 -22.636 16.402 33.086 1.00 4.02 C +ATOM 22 CD GLN I 146 -23.070 14.959 32.951 1.00 4.39 C +ATOM 23 OE1 GLN I 146 -23.949 14.496 33.680 1.00 4.80 O +ATOM 24 NE2 GLN I 146 -22.439 14.231 32.033 1.00 4.55 N +ATOM 25 N THR I 147 -18.735 14.779 35.039 1.00 3.75 N +ATOM 26 CA THR I 147 -17.280 14.737 35.162 1.00 3.74 C +ATOM 27 C THR I 147 -16.676 14.103 33.910 1.00 3.62 C +ATOM 28 O THR I 147 -17.207 13.126 33.377 1.00 3.60 O +ATOM 29 CB THR I 147 -16.833 13.973 36.425 1.00 3.76 C +ATOM 30 OG1 THR I 147 -15.434 14.189 36.652 1.00 4.10 O +ATOM 31 CG2 THR I 147 -17.104 12.484 36.290 1.00 3.83 C +ATOM 32 N VAL I 148 -15.576 14.677 33.434 1.00 3.51 N +ATOM 33 CA VAL I 148 -14.936 14.203 32.215 1.00 3.41 C +ATOM 34 C VAL I 148 -13.947 13.092 32.551 1.00 3.31 C +ATOM 35 O VAL I 148 -13.073 13.269 33.398 1.00 3.32 O +ATOM 36 CB VAL I 148 -14.217 15.345 31.470 1.00 3.43 C +ATOM 37 CG1 VAL I 148 -13.573 14.826 30.193 1.00 3.37 C +ATOM 38 CG2 VAL I 148 -15.197 16.465 31.152 1.00 3.17 C +ATOM 39 N LEU I 149 -14.123 11.943 31.903 1.00 3.25 N +ATOM 40 CA LEU I 149 -13.213 10.809 32.020 1.00 3.17 C +ATOM 41 C LEU I 149 -12.760 10.408 30.627 1.00 3.20 C +ATOM 42 O LEU I 149 -13.591 10.082 29.779 1.00 3.13 O +ATOM 43 CB LEU I 149 -13.908 9.623 32.693 1.00 3.13 C +ATOM 44 CG LEU I 149 -13.075 8.345 32.829 1.00 2.77 C +ATOM 45 CD1 LEU I 149 -11.858 8.593 33.705 1.00 2.44 C +ATOM 46 CD2 LEU I 149 -13.912 7.206 33.383 1.00 2.29 C +ATOM 47 N GLU I 150 -11.448 10.435 30.400 1.00 3.20 N +ATOM 48 CA GLU I 150 -10.853 10.068 29.111 1.00 3.24 C +ATOM 49 C GLU I 150 -11.474 10.841 27.938 1.00 3.26 C +ATOM 50 O GLU I 150 -11.851 10.257 26.918 1.00 3.11 O +ATOM 51 CB GLU I 150 -10.965 8.557 28.888 1.00 3.20 C +ATOM 52 CG GLU I 150 -10.253 7.729 29.946 1.00 3.46 C +ATOM 53 CD GLU I 150 -8.739 7.757 29.807 1.00 3.34 C +ATOM 54 OE1 GLU I 150 -8.232 7.487 28.699 1.00 3.02 O +ATOM 55 OE2 GLU I 150 -8.054 8.035 30.811 1.00 3.60 O +ATOM 56 N GLY I 151 -11.576 12.158 28.101 1.00 3.32 N +ATOM 57 CA GLY I 151 -12.157 13.036 27.082 1.00 3.35 C +ATOM 58 C GLY I 151 -13.630 12.778 26.809 1.00 3.37 C +ATOM 59 O GLY I 151 -14.119 13.044 25.712 1.00 3.35 O +ATOM 60 N GLU I 152 -14.338 12.271 27.816 1.00 3.43 N +ATOM 61 CA GLU I 152 -15.731 11.858 27.668 1.00 3.43 C +ATOM 62 C GLU I 152 -16.518 12.217 28.925 1.00 3.43 C +ATOM 63 O GLU I 152 -16.100 11.899 30.033 1.00 3.37 O +ATOM 64 CB GLU I 152 -15.799 10.348 27.417 1.00 3.44 C +ATOM 65 CG GLU I 152 -17.008 9.895 26.614 1.00 3.49 C +ATOM 66 CD GLU I 152 -16.908 10.236 25.139 1.00 3.23 C +ATOM 67 OE1 GLU I 152 -17.873 10.814 24.596 1.00 3.29 O +ATOM 68 OE2 GLU I 152 -15.867 9.929 24.524 1.00 2.80 O +ATOM 69 N SER I 153 -17.658 12.877 28.744 1.00 3.59 N +ATOM 70 CA SER I 153 -18.483 13.324 29.868 1.00 3.66 C +ATOM 71 C SER I 153 -19.306 12.177 30.464 1.00 3.68 C +ATOM 72 O SER I 153 -20.096 11.546 29.764 1.00 3.72 O +ATOM 73 CB SER I 153 -19.415 14.448 29.425 1.00 3.64 C +ATOM 74 OG SER I 153 -20.083 15.007 30.540 1.00 3.85 O +ATOM 75 N ILE I 154 -19.110 11.919 31.757 1.00 3.72 N +ATOM 76 CA ILE I 154 -19.810 10.842 32.466 1.00 3.71 C +ATOM 77 C ILE I 154 -20.658 11.411 33.609 1.00 3.70 C +ATOM 78 O ILE I 154 -20.228 12.322 34.322 1.00 3.70 O +ATOM 79 CB ILE I 154 -18.814 9.784 33.015 1.00 3.67 C +ATOM 80 CG1 ILE I 154 -18.471 8.752 31.938 1.00 3.76 C +ATOM 81 CG2 ILE I 154 -19.400 9.040 34.204 1.00 3.65 C +ATOM 82 CD1 ILE I 154 -17.800 9.326 30.715 1.00 4.08 C +ATOM 83 N SER I 155 -21.863 10.867 33.767 1.00 3.64 N +ATOM 84 CA SER I 155 -22.773 11.274 34.837 1.00 3.59 C +ATOM 85 C SER I 155 -22.345 10.656 36.158 1.00 3.51 C +ATOM 86 O SER I 155 -21.920 9.499 36.202 1.00 3.41 O +ATOM 87 CB SER I 155 -24.205 10.839 34.522 1.00 3.59 C +ATOM 88 OG SER I 155 -24.703 11.497 33.373 1.00 3.73 O +ATOM 89 N CYS I 156 -22.473 11.426 37.234 1.00 3.47 N +ATOM 90 CA CYS I 156 -22.048 10.967 38.550 1.00 3.54 C +ATOM 91 C CYS I 156 -22.877 11.573 39.679 1.00 3.51 C +ATOM 92 O CYS I 156 -23.449 12.654 39.532 1.00 3.47 O +ATOM 93 CB CYS I 156 -20.557 11.271 38.761 1.00 3.57 C +ATOM 94 SG CYS I 156 -20.013 12.872 38.133 1.00 3.73 S +ATOM 95 N PHE I 157 -22.933 10.847 40.796 1.00 3.54 N +ATOM 96 CA PHE I 157 -23.597 11.294 42.019 1.00 3.57 C +ATOM 97 C PHE I 157 -22.554 11.653 43.072 1.00 3.68 C +ATOM 98 O PHE I 157 -21.359 11.429 42.875 1.00 3.72 O +ATOM 99 CB PHE I 157 -24.498 10.190 42.574 1.00 3.52 C +ATOM 100 CG PHE I 157 -25.622 9.800 41.660 1.00 3.44 C +ATOM 101 CD1 PHE I 157 -25.617 8.570 41.016 1.00 3.42 C +ATOM 102 CD2 PHE I 157 -26.689 10.658 41.449 1.00 3.32 C +ATOM 103 CE1 PHE I 157 -26.655 8.204 40.177 1.00 3.36 C +ATOM 104 CE2 PHE I 157 -27.734 10.298 40.612 1.00 3.41 C +ATOM 105 CZ PHE I 157 -27.716 9.069 39.974 1.00 3.41 C +ATOM 106 N GLN I 158 -23.019 12.200 44.192 1.00 3.78 N +ATOM 107 CA GLN I 158 -22.150 12.560 45.310 1.00 3.82 C +ATOM 108 C GLN I 158 -22.348 11.587 46.474 1.00 3.83 C +ATOM 109 O GLN I 158 -23.479 11.335 46.890 1.00 3.80 O +ATOM 110 CB GLN I 158 -22.447 13.991 45.768 1.00 3.83 C +ATOM 111 CG GLN I 158 -21.246 14.712 46.374 1.00 4.03 C +ATOM 112 CD GLN I 158 -20.164 15.040 45.349 1.00 4.32 C +ATOM 113 OE1 GLN I 158 -20.384 14.952 44.137 1.00 4.43 O +ATOM 114 NE2 GLN I 158 -18.987 15.421 45.837 1.00 4.33 N +ATOM 115 N VAL I 159 -21.247 11.036 46.983 1.00 3.85 N +ATOM 116 CA VAL I 159 -21.272 10.176 48.169 1.00 3.85 C +ATOM 117 C VAL I 159 -20.067 10.494 49.057 1.00 3.89 C +ATOM 118 O VAL I 159 -18.933 10.137 48.726 1.00 3.95 O +ATOM 119 CB VAL I 159 -21.252 8.670 47.803 1.00 3.87 C +ATOM 120 CG1 VAL I 159 -21.375 7.815 49.059 1.00 3.82 C +ATOM 121 CG2 VAL I 159 -22.369 8.332 46.823 1.00 3.80 C +ATOM 122 N GLY I 160 -20.320 11.173 50.175 1.00 3.90 N +ATOM 123 CA GLY I 160 -19.277 11.507 51.147 1.00 3.89 C +ATOM 124 C GLY I 160 -18.163 12.380 50.595 1.00 3.91 C +ATOM 125 O GLY I 160 -16.992 12.182 50.925 1.00 3.92 O +ATOM 126 N GLY I 161 -18.529 13.349 49.757 1.00 3.91 N +ATOM 127 CA GLY I 161 -17.560 14.253 49.135 1.00 3.88 C +ATOM 128 C GLY I 161 -16.698 13.571 48.087 1.00 3.89 C +ATOM 129 O GLY I 161 -15.497 13.834 47.994 1.00 3.89 O +ATOM 130 N GLU I 162 -17.315 12.689 47.303 1.00 3.86 N +ATOM 131 CA GLU I 162 -16.622 11.950 46.249 1.00 3.81 C +ATOM 132 C GLU I 162 -17.518 11.837 45.022 1.00 3.73 C +ATOM 133 O GLU I 162 -18.672 11.422 45.134 1.00 3.71 O +ATOM 134 CB GLU I 162 -16.255 10.537 46.726 1.00 3.86 C +ATOM 135 CG GLU I 162 -15.518 10.473 48.067 1.00 3.92 C +ATOM 136 CD GLU I 162 -15.123 9.057 48.468 1.00 3.94 C +ATOM 137 OE1 GLU I 162 -15.341 8.115 47.676 1.00 3.84 O +ATOM 138 OE2 GLU I 162 -14.591 8.889 49.585 1.00 3.94 O +ATOM 139 N LYS I 163 -16.992 12.208 43.857 0.60 3.63 N +ATOM 140 CA LYS I 163 -17.700 11.974 42.606 0.60 3.54 C +ATOM 141 C LYS I 163 -17.690 10.475 42.347 0.60 3.53 C +ATOM 142 O LYS I 163 -16.623 9.874 42.237 0.60 3.54 O +ATOM 143 CB LYS I 163 -17.035 12.700 41.434 0.60 3.51 C +ATOM 144 CG LYS I 163 -16.927 14.206 41.589 0.60 3.44 C +ATOM 145 CD LYS I 163 -16.505 14.862 40.277 0.60 3.40 C +ATOM 146 CE LYS I 163 -15.748 16.163 40.508 0.60 3.42 C +ATOM 147 NZ LYS I 163 -16.500 17.122 41.364 0.60 3.42 N +ATOM 148 N ARG I 164 -18.875 9.875 42.284 1.00 3.49 N +ATOM 149 CA ARG I 164 -19.018 8.457 41.970 1.00 3.46 C +ATOM 150 C ARG I 164 -19.715 8.303 40.619 1.00 3.50 C +ATOM 151 O ARG I 164 -20.852 8.737 40.449 1.00 3.42 O +ATOM 152 CB ARG I 164 -19.794 7.729 43.071 1.00 3.45 C +ATOM 153 CG ARG I 164 -18.935 7.305 44.262 1.00 3.33 C +ATOM 154 CD ARG I 164 -19.606 6.215 45.093 1.00 3.28 C +ATOM 155 NE ARG I 164 -18.710 5.657 46.113 1.00 3.31 N +ATOM 156 CZ ARG I 164 -17.859 4.643 45.928 1.00 3.27 C +ATOM 157 NH1 ARG I 164 -17.099 4.231 46.937 1.00 3.08 N +ATOM 158 NH2 ARG I 164 -17.750 4.035 44.750 1.00 3.34 N +ATOM 159 N LEU I 165 -19.024 7.667 39.675 1.00 3.53 N +ATOM 160 CA LEU I 165 -19.444 7.624 38.271 1.00 3.51 C +ATOM 161 C LEU I 165 -20.279 6.391 37.943 1.00 3.63 C +ATOM 162 O LEU I 165 -20.057 5.314 38.491 1.00 3.46 O +ATOM 163 CB LEU I 165 -18.220 7.642 37.353 1.00 3.45 C +ATOM 164 CG LEU I 165 -17.395 8.930 37.239 1.00 3.19 C +ATOM 165 CD1 LEU I 165 -16.901 9.431 38.588 1.00 2.83 C +ATOM 166 CD2 LEU I 165 -16.232 8.693 36.299 1.00 2.00 C +ATOM 167 N CYS I 166 -21.236 6.565 37.036 1.00 3.84 N +ATOM 168 CA CYS I 166 -22.003 5.449 36.497 1.00 3.99 C +ATOM 169 C CYS I 166 -21.049 4.501 35.790 1.00 3.89 C +ATOM 170 O CYS I 166 -20.462 4.860 34.772 1.00 4.19 O +ATOM 171 CB CYS I 166 -23.059 5.948 35.513 1.00 3.98 C +ATOM 172 SG CYS I 166 -24.245 4.670 35.003 1.00 5.07 S +ATOM 173 N LEU I 167 -20.879 3.302 36.340 1.00 3.85 N +ATOM 174 CA LEU I 167 -19.900 2.336 35.814 1.00 3.77 C +ATOM 175 C LEU I 167 -20.269 1.802 34.417 1.00 3.65 C +ATOM 176 O LEU I 167 -19.398 1.681 33.563 1.00 3.62 O +ATOM 177 CB LEU I 167 -19.681 1.188 36.813 1.00 3.76 C +ATOM 178 CG LEU I 167 -18.663 0.109 36.440 1.00 3.87 C +ATOM 179 CD1 LEU I 167 -17.257 0.694 36.306 1.00 3.24 C +ATOM 180 CD2 LEU I 167 -18.700 -1.004 37.479 1.00 3.98 C +ATOM 181 N PRO I 168 -21.556 1.487 34.176 1.00 3.60 N +ATOM 182 CA PRO I 168 -21.956 1.071 32.824 1.00 3.61 C +ATOM 183 C PRO I 168 -21.767 2.140 31.746 1.00 3.57 C +ATOM 184 O PRO I 168 -21.539 1.810 30.585 1.00 3.37 O +ATOM 185 CB PRO I 168 -23.444 0.746 32.988 1.00 3.48 C +ATOM 186 CG PRO I 168 -23.573 0.353 34.398 1.00 3.50 C +ATOM 187 CD PRO I 168 -22.639 1.254 35.145 1.00 3.49 C +ATOM 188 N GLN I 169 -21.885 3.408 32.131 1.00 3.67 N +ATOM 189 CA GLN I 169 -21.644 4.517 31.209 1.00 3.59 C +ATOM 190 C GLN I 169 -20.159 4.613 30.878 1.00 3.53 C +ATOM 191 O GLN I 169 -19.796 4.957 29.756 1.00 3.55 O +ATOM 192 CB GLN I 169 -22.151 5.835 31.803 1.00 3.60 C +ATOM 193 CG GLN I 169 -22.192 6.991 30.810 1.00 3.55 C +ATOM 194 CD GLN I 169 -22.741 8.275 31.414 1.00 3.59 C +ATOM 195 OE1 GLN I 169 -22.985 8.359 32.618 1.00 3.65 O +ATOM 196 NE2 GLN I 169 -22.934 9.285 30.575 1.00 3.63 N +ATOM 197 N VAL I 170 -19.308 4.311 31.856 1.00 3.55 N +ATOM 198 CA VAL I 170 -17.863 4.191 31.618 1.00 3.57 C +ATOM 199 C VAL I 170 -17.590 3.036 30.646 1.00 3.57 C +ATOM 200 O VAL I 170 -16.762 3.166 29.748 1.00 3.42 O +ATOM 201 CB VAL I 170 -17.072 3.986 32.940 1.00 3.64 C +ATOM 202 CG1 VAL I 170 -15.600 3.728 32.660 1.00 3.50 C +ATOM 203 CG2 VAL I 170 -17.232 5.197 33.858 1.00 3.38 C +ATOM 204 N LEU I 171 -18.310 1.925 30.823 1.00 3.65 N +ATOM 205 CA LEU I 171 -18.240 0.772 29.908 1.00 3.83 C +ATOM 206 C LEU I 171 -18.554 1.102 28.454 1.00 3.85 C +ATOM 207 O LEU I 171 -17.785 0.753 27.555 1.00 3.81 O +ATOM 208 CB LEU I 171 -19.193 -0.351 30.348 1.00 3.84 C +ATOM 209 CG LEU I 171 -18.536 -1.565 30.991 1.00 4.38 C +ATOM 210 CD1 LEU I 171 -17.587 -2.262 30.014 1.00 4.16 C +ATOM 211 CD2 LEU I 171 -17.798 -1.127 32.255 1.00 5.29 C +ATOM 212 N ASN I 172 -19.689 1.755 28.231 1.00 3.85 N +ATOM 213 CA ASN I 172 -20.187 2.007 26.874 1.00 4.03 C +ATOM 214 C ASN I 172 -19.565 3.221 26.178 1.00 3.89 C +ATOM 215 O ASN I 172 -19.736 3.389 24.972 1.00 3.97 O +ATOM 216 CB ASN I 172 -21.711 2.156 26.888 1.00 4.21 C +ATOM 217 CG ASN I 172 -22.411 0.954 27.509 1.00 5.03 C +ATOM 218 OD1 ASN I 172 -23.193 1.101 28.450 1.00 6.41 O +ATOM 219 ND2 ASN I 172 -22.124 -0.242 26.993 1.00 5.41 N +ATOM 220 N SER I 173 -18.849 4.054 26.929 1.00 3.80 N +ATOM 221 CA SER I 173 -18.261 5.285 26.396 1.00 3.84 C +ATOM 222 C SER I 173 -16.739 5.223 26.274 1.00 3.74 C +ATOM 223 O SER I 173 -16.190 5.561 25.233 1.00 3.85 O +ATOM 224 CB SER I 173 -18.638 6.471 27.282 1.00 3.87 C +ATOM 225 OG SER I 173 -20.045 6.570 27.434 1.00 4.51 O +ATOM 226 N VAL I 174 -16.069 4.793 27.338 1.00 3.64 N +ATOM 227 CA VAL I 174 -14.606 4.833 27.414 1.00 3.62 C +ATOM 228 C VAL I 174 -13.953 3.459 27.256 1.00 3.57 C +ATOM 229 O VAL I 174 -13.026 3.296 26.465 1.00 3.41 O +ATOM 230 CB VAL I 174 -14.146 5.429 28.755 1.00 3.56 C +ATOM 231 CG1 VAL I 174 -12.628 5.403 28.852 1.00 3.86 C +ATOM 232 CG2 VAL I 174 -14.677 6.847 28.911 1.00 3.49 C +ATOM 233 N LEU I 175 -14.429 2.483 28.027 1.00 3.61 N +ATOM 234 CA LEU I 175 -13.881 1.124 27.999 1.00 3.68 C +ATOM 235 C LEU I 175 -14.710 0.238 27.069 1.00 3.73 C +ATOM 236 O LEU I 175 -15.143 -0.854 27.430 1.00 3.72 O +ATOM 237 CB LEU I 175 -13.818 0.548 29.416 1.00 3.60 C +ATOM 238 CG LEU I 175 -12.853 1.266 30.363 1.00 3.50 C +ATOM 239 CD1 LEU I 175 -12.930 0.678 31.765 1.00 3.61 C +ATOM 240 CD2 LEU I 175 -11.429 1.201 29.835 1.00 3.18 C +ATOM 241 N ARG I 176 -14.881 0.723 25.848 1.00 3.91 N +ATOM 242 CA ARG I 176 -15.833 0.172 24.887 1.00 4.11 C +ATOM 243 C ARG I 176 -15.414 -1.188 24.308 1.00 4.11 C +ATOM 244 O ARG I 176 -16.263 -1.954 23.857 1.00 4.11 O +ATOM 245 CB ARG I 176 -16.031 1.192 23.759 1.00 4.22 C +ATOM 246 CG ARG I 176 -17.202 0.906 22.849 1.00 4.81 C +ATOM 247 CD ARG I 176 -17.526 2.091 21.937 1.00 5.38 C +ATOM 248 NE ARG I 176 -16.345 2.663 21.274 1.00 5.73 N +ATOM 249 CZ ARG I 176 -15.746 3.813 21.602 1.00 5.69 C +ATOM 250 NH1 ARG I 176 -16.193 4.573 22.601 1.00 5.55 N +ATOM 251 NH2 ARG I 176 -14.680 4.213 20.915 1.00 5.60 N +ATOM 252 N GLU I 177 -14.116 -1.485 24.327 1.00 4.08 N +ATOM 253 CA GLU I 177 -13.603 -2.758 23.802 1.00 4.15 C +ATOM 254 C GLU I 177 -13.654 -3.918 24.818 1.00 3.95 C +ATOM 255 O GLU I 177 -13.180 -5.013 24.520 1.00 3.88 O +ATOM 256 CB GLU I 177 -12.174 -2.580 23.249 1.00 4.29 C +ATOM 257 CG GLU I 177 -11.093 -2.309 24.305 1.00 5.20 C +ATOM 258 CD GLU I 177 -9.811 -1.695 23.725 1.00 6.50 C +ATOM 259 OE1 GLU I 177 -9.073 -2.407 22.998 1.00 6.86 O +ATOM 260 OE2 GLU I 177 -9.536 -0.503 24.016 1.00 6.88 O +ATOM 261 N PHE I 178 -14.245 -3.687 25.993 1.00 3.71 N +ATOM 262 CA PHE I 178 -14.309 -4.705 27.052 1.00 3.58 C +ATOM 263 C PHE I 178 -15.737 -4.996 27.505 1.00 3.57 C +ATOM 264 O PHE I 178 -16.638 -4.162 27.371 1.00 3.48 O +ATOM 265 CB PHE I 178 -13.501 -4.260 28.273 1.00 3.48 C +ATOM 266 CG PHE I 178 -12.090 -3.846 27.955 1.00 3.48 C +ATOM 267 CD1 PHE I 178 -11.087 -4.796 27.818 1.00 3.26 C +ATOM 268 CD2 PHE I 178 -11.765 -2.504 27.806 1.00 3.09 C +ATOM 269 CE1 PHE I 178 -9.783 -4.416 27.525 1.00 3.46 C +ATOM 270 CE2 PHE I 178 -10.468 -2.117 27.524 1.00 3.50 C +ATOM 271 CZ PHE I 178 -9.474 -3.074 27.376 1.00 3.34 C +ATOM 272 N THR I 179 -15.929 -6.185 28.065 1.00 3.58 N +ATOM 273 CA THR I 179 -17.209 -6.563 28.649 1.00 3.47 C +ATOM 274 C THR I 179 -17.267 -6.114 30.103 1.00 3.64 C +ATOM 275 O THR I 179 -16.239 -5.791 30.707 1.00 3.71 O +ATOM 276 CB THR I 179 -17.428 -8.078 28.607 1.00 3.43 C +ATOM 277 OG1 THR I 179 -16.456 -8.726 29.435 1.00 3.04 O +ATOM 278 CG2 THR I 179 -17.324 -8.600 27.184 1.00 3.12 C +ATOM 279 N LEU I 180 -18.474 -6.107 30.659 1.00 3.66 N +ATOM 280 CA LEU I 180 -18.688 -5.717 32.049 1.00 3.75 C +ATOM 281 C LEU I 180 -17.959 -6.660 33.004 1.00 3.83 C +ATOM 282 O LEU I 180 -17.321 -6.210 33.959 1.00 3.70 O +ATOM 283 CB LEU I 180 -20.186 -5.696 32.373 1.00 3.71 C +ATOM 284 CG LEU I 180 -20.598 -5.228 33.774 1.00 4.01 C +ATOM 285 CD1 LEU I 180 -19.993 -3.874 34.103 1.00 4.19 C +ATOM 286 CD2 LEU I 180 -22.124 -5.185 33.910 1.00 3.14 C +ATOM 287 N GLN I 181 -18.046 -7.963 32.740 1.00 3.97 N +ATOM 288 CA GLN I 181 -17.409 -8.963 33.602 1.00 4.03 C +ATOM 289 C GLN I 181 -15.896 -8.807 33.623 1.00 3.73 C +ATOM 290 O GLN I 181 -15.267 -9.022 34.655 1.00 3.83 O +ATOM 291 CB GLN I 181 -17.780 -10.392 33.183 1.00 4.21 C +ATOM 292 CG GLN I 181 -17.120 -11.495 34.046 1.00 4.84 C +ATOM 293 CD GLN I 181 -17.338 -11.289 35.553 1.00 5.67 C +ATOM 294 OE1 GLN I 181 -18.480 -11.219 36.029 1.00 6.19 O +ATOM 295 NE2 GLN I 181 -16.241 -11.180 36.302 1.00 5.31 N +ATOM 296 N GLN I 182 -15.316 -8.439 32.485 1.00 3.51 N +ATOM 297 CA GLN I 182 -13.887 -8.149 32.418 1.00 3.34 C +ATOM 298 C GLN I 182 -13.542 -6.954 33.303 1.00 3.25 C +ATOM 299 O GLN I 182 -12.558 -6.989 34.051 1.00 3.18 O +ATOM 300 CB GLN I 182 -13.442 -7.895 30.971 1.00 3.35 C +ATOM 301 CG GLN I 182 -13.317 -9.170 30.149 1.00 3.01 C +ATOM 302 CD GLN I 182 -13.101 -8.915 28.668 1.00 2.72 C +ATOM 303 OE1 GLN I 182 -13.618 -7.951 28.099 1.00 2.32 O +ATOM 304 NE2 GLN I 182 -12.340 -9.793 28.033 1.00 3.03 N +ATOM 305 N ILE I 183 -14.359 -5.907 33.211 1.00 3.05 N +ATOM 306 CA ILE I 183 -14.196 -4.708 34.036 1.00 3.02 C +ATOM 307 C ILE I 183 -14.311 -5.019 35.529 1.00 3.06 C +ATOM 308 O ILE I 183 -13.535 -4.495 36.322 1.00 3.09 O +ATOM 309 CB ILE I 183 -15.202 -3.591 33.625 1.00 3.10 C +ATOM 310 CG1 ILE I 183 -14.577 -2.680 32.574 1.00 3.47 C +ATOM 311 CG2 ILE I 183 -15.607 -2.735 34.811 1.00 2.70 C +ATOM 312 CD1 ILE I 183 -14.041 -3.401 31.376 1.00 3.75 C +ATOM 313 N ASN I 184 -15.264 -5.872 35.904 1.00 3.09 N +ATOM 314 CA ASN I 184 -15.433 -6.266 37.308 1.00 3.20 C +ATOM 315 C ASN I 184 -14.220 -7.039 37.827 1.00 3.24 C +ATOM 316 O ASN I 184 -13.846 -6.904 38.993 1.00 3.32 O +ATOM 317 CB ASN I 184 -16.691 -7.124 37.512 1.00 3.15 C +ATOM 318 CG ASN I 184 -17.989 -6.373 37.215 1.00 3.27 C +ATOM 319 OD1 ASN I 184 -18.112 -5.173 37.468 1.00 3.49 O +ATOM 320 ND2 ASN I 184 -18.970 -7.094 36.683 1.00 2.76 N +ATOM 321 N THR I 185 -13.626 -7.854 36.958 1.00 3.14 N +ATOM 322 CA THR I 185 -12.456 -8.653 37.302 1.00 3.07 C +ATOM 323 C THR I 185 -11.219 -7.770 37.498 1.00 3.13 C +ATOM 324 O THR I 185 -10.483 -7.940 38.466 1.00 2.89 O +ATOM 325 CB THR I 185 -12.163 -9.706 36.209 1.00 3.12 C +ATOM 326 OG1 THR I 185 -13.330 -10.508 35.982 1.00 2.83 O +ATOM 327 CG2 THR I 185 -11.007 -10.602 36.616 1.00 2.85 C +ATOM 328 N VAL I 186 -11.000 -6.833 36.576 1.00 3.10 N +ATOM 329 CA VAL I 186 -9.901 -5.866 36.696 1.00 3.05 C +ATOM 330 C VAL I 186 -10.076 -4.992 37.949 1.00 2.98 C +ATOM 331 O VAL I 186 -9.103 -4.696 38.645 1.00 2.52 O +ATOM 332 CB VAL I 186 -9.782 -4.973 35.437 1.00 3.08 C +ATOM 333 CG1 VAL I 186 -8.657 -3.947 35.598 1.00 3.12 C +ATOM 334 CG2 VAL I 186 -9.536 -5.830 34.197 1.00 3.34 C +ATOM 335 N CYS I 187 -11.319 -4.608 38.244 1.00 2.93 N +ATOM 336 CA CYS I 187 -11.621 -3.866 39.473 1.00 2.91 C +ATOM 337 C CYS I 187 -11.205 -4.647 40.719 1.00 3.06 C +ATOM 338 O CYS I 187 -10.684 -4.067 41.672 1.00 3.16 O +ATOM 339 CB CYS I 187 -13.106 -3.502 39.555 1.00 2.90 C +ATOM 340 SG CYS I 187 -13.571 -2.030 38.613 1.00 2.08 S +ATOM 341 N ASP I 188 -11.424 -5.957 40.697 1.00 3.07 N +ATOM 342 CA ASP I 188 -11.001 -6.839 41.788 1.00 3.24 C +ATOM 343 C ASP I 188 -9.463 -6.855 41.923 1.00 3.18 C +ATOM 344 O ASP I 188 -8.922 -6.750 43.022 1.00 3.21 O +ATOM 345 CB ASP I 188 -11.540 -8.250 41.534 1.00 3.32 C +ATOM 346 CG ASP I 188 -11.406 -9.170 42.732 1.00 3.87 C +ATOM 347 OD1 ASP I 188 -11.721 -10.364 42.569 1.00 4.89 O +ATOM 348 OD2 ASP I 188 -11.002 -8.728 43.827 1.00 4.27 O +ATOM 349 N GLU I 189 -8.774 -6.971 40.794 1.00 2.99 N +ATOM 350 CA GLU I 189 -7.310 -6.945 40.760 1.00 2.90 C +ATOM 351 C GLU I 189 -6.743 -5.622 41.288 1.00 2.81 C +ATOM 352 O GLU I 189 -5.704 -5.603 41.944 1.00 2.70 O +ATOM 353 CB GLU I 189 -6.816 -7.168 39.326 1.00 2.82 C +ATOM 354 CG GLU I 189 -7.139 -8.541 38.752 1.00 2.57 C +ATOM 355 CD GLU I 189 -7.051 -8.593 37.235 1.00 2.37 C +ATOM 356 OE1 GLU I 189 -6.446 -7.686 36.629 1.00 2.66 O +ATOM 357 OE2 GLU I 189 -7.589 -9.554 36.646 1.00 2.16 O +ATOM 358 N LEU I 190 -7.436 -4.524 40.990 1.00 2.76 N +ATOM 359 CA LEU I 190 -7.023 -3.183 41.405 1.00 2.52 C +ATOM 360 C LEU I 190 -7.520 -2.794 42.810 1.00 2.34 C +ATOM 361 O LEU I 190 -7.348 -1.656 43.229 1.00 2.22 O +ATOM 362 CB LEU I 190 -7.520 -2.155 40.381 1.00 2.39 C +ATOM 363 CG LEU I 190 -7.004 -2.266 38.943 1.00 2.30 C +ATOM 364 CD1 LEU I 190 -7.877 -1.427 38.018 1.00 2.00 C +ATOM 365 CD2 LEU I 190 -5.513 -1.871 38.816 1.00 2.00 C +ATOM 366 N TYR I 191 -8.126 -3.733 43.532 1.00 2.38 N +ATOM 367 CA TYR I 191 -8.713 -3.469 44.858 1.00 2.43 C +ATOM 368 C TYR I 191 -9.728 -2.308 44.823 1.00 2.43 C +ATOM 369 O TYR I 191 -9.772 -1.466 45.718 1.00 2.28 O +ATOM 370 CB TYR I 191 -7.608 -3.233 45.909 1.00 2.39 C +ATOM 371 CG TYR I 191 -8.062 -3.420 47.354 1.00 2.00 C +ATOM 372 CD1 TYR I 191 -8.294 -2.324 48.182 1.00 2.00 C +ATOM 373 CD2 TYR I 191 -8.259 -4.690 47.887 1.00 2.00 C +ATOM 374 CE1 TYR I 191 -8.710 -2.485 49.499 1.00 2.00 C +ATOM 375 CE2 TYR I 191 -8.672 -4.861 49.206 1.00 2.00 C +ATOM 376 CZ TYR I 191 -8.900 -3.754 50.005 1.00 2.00 C +ATOM 377 OH TYR I 191 -9.309 -3.908 51.306 1.00 2.00 O +ATOM 378 N ILE I 192 -10.548 -2.286 43.780 1.00 2.62 N +ATOM 379 CA ILE I 192 -11.515 -1.215 43.567 1.00 2.99 C +ATOM 380 C ILE I 192 -12.895 -1.673 44.051 1.00 3.19 C +ATOM 381 O ILE I 192 -13.362 -2.734 43.649 1.00 3.22 O +ATOM 382 CB ILE I 192 -11.572 -0.821 42.075 1.00 3.00 C +ATOM 383 CG1 ILE I 192 -10.243 -0.193 41.643 1.00 3.30 C +ATOM 384 CG2 ILE I 192 -12.705 0.147 41.806 1.00 3.04 C +ATOM 385 CD1 ILE I 192 -10.141 0.092 40.144 1.00 2.74 C +ATOM 386 N TYR I 193 -13.519 -0.886 44.932 1.00 3.48 N +ATOM 387 CA TYR I 193 -14.869 -1.179 45.454 1.00 3.76 C +ATOM 388 C TYR I 193 -15.925 -0.276 44.821 1.00 3.90 C +ATOM 389 O TYR I 193 -15.936 0.935 45.049 1.00 3.96 O +ATOM 390 CB TYR I 193 -14.915 -1.019 46.978 1.00 3.82 C +ATOM 391 CG TYR I 193 -16.318 -0.881 47.561 1.00 3.91 C +ATOM 392 CD1 TYR I 193 -16.824 0.369 47.921 1.00 4.06 C +ATOM 393 CD2 TYR I 193 -17.134 -1.998 47.758 1.00 3.97 C +ATOM 394 CE1 TYR I 193 -18.106 0.507 48.454 1.00 3.97 C +ATOM 395 CE2 TYR I 193 -18.418 -1.871 48.294 1.00 3.47 C +ATOM 396 CZ TYR I 193 -18.903 -0.614 48.640 1.00 3.95 C +ATOM 397 OH TYR I 193 -20.181 -0.465 49.178 1.00 3.97 O +ATOM 398 N CYS I 194 -16.816 -0.872 44.037 1.00 4.05 N +ATOM 399 CA CYS I 194 -17.907 -0.134 43.416 1.00 4.31 C +ATOM 400 C CYS I 194 -19.176 -0.275 44.268 1.00 4.29 C +ATOM 401 O CYS I 194 -19.653 -1.385 44.492 1.00 4.42 O +ATOM 402 CB CYS I 194 -18.143 -0.638 41.991 1.00 4.14 C +ATOM 403 SG CYS I 194 -16.715 -0.416 40.894 1.00 5.94 S +ATOM 404 N SER I 195 -19.708 0.845 44.755 1.00 4.33 N +ATOM 405 CA SER I 195 -20.915 0.816 45.582 1.00 4.61 C +ATOM 406 C SER I 195 -22.152 0.731 44.698 1.00 4.74 C +ATOM 407 O SER I 195 -22.174 1.283 43.603 1.00 5.22 O +ATOM 408 CB SER I 195 -21.000 2.053 46.482 1.00 4.62 C +ATOM 409 OG SER I 195 -21.062 3.244 45.718 1.00 5.17 O +ATOM 410 N ARG I 196 -23.182 0.047 45.177 1.00 4.85 N +ATOM 411 CA ARG I 196 -24.403 -0.129 44.399 1.00 4.86 C +ATOM 412 C ARG I 196 -25.217 1.156 44.447 1.00 4.80 C +ATOM 413 O ARG I 196 -25.264 1.826 45.474 1.00 4.95 O +ATOM 414 CB ARG I 196 -25.227 -1.308 44.933 1.00 4.95 C +ATOM 415 CG ARG I 196 -25.591 -2.334 43.866 1.00 5.76 C +ATOM 416 CD ARG I 196 -24.369 -3.175 43.467 1.00 7.05 C +ATOM 417 NE ARG I 196 -24.688 -4.141 42.410 1.00 8.23 N +ATOM 418 CZ ARG I 196 -24.344 -4.031 41.123 1.00 8.91 C +ATOM 419 NH1 ARG I 196 -23.643 -2.991 40.675 1.00 9.13 N +ATOM 420 NH2 ARG I 196 -24.704 -4.984 40.267 1.00 9.31 N +ATOM 421 N CYS I 197 -25.853 1.503 43.335 1.00 4.70 N +ATOM 422 CA CYS I 197 -26.661 2.710 43.271 1.00 4.77 C +ATOM 423 C CYS I 197 -27.980 2.462 44.006 1.00 4.50 C +ATOM 424 O CYS I 197 -28.521 1.356 43.956 1.00 4.59 O +ATOM 425 CB CYS I 197 -26.925 3.092 41.814 1.00 4.77 C +ATOM 426 SG CYS I 197 -28.247 2.114 41.036 1.00 6.76 S +ATOM 427 N THR I 198 -28.491 3.482 44.690 1.00 4.27 N +ATOM 428 CA THR I 198 -29.750 3.357 45.434 1.00 4.17 C +ATOM 429 C THR I 198 -30.948 3.344 44.497 1.00 4.07 C +ATOM 430 O THR I 198 -30.860 3.796 43.359 1.00 4.18 O +ATOM 431 CB THR I 198 -29.952 4.505 46.445 1.00 4.15 C +ATOM 432 OG1 THR I 198 -30.080 5.751 45.748 1.00 4.04 O +ATOM 433 CG2 THR I 198 -28.787 4.572 47.423 1.00 4.02 C +ATOM 434 N SER I 199 -32.069 2.833 44.993 1.00 4.07 N +ATOM 435 CA SER I 199 -33.313 2.764 44.217 1.00 4.10 C +ATOM 436 C SER I 199 -33.686 4.115 43.589 1.00 4.09 C +ATOM 437 O SER I 199 -34.180 4.169 42.459 1.00 3.97 O +ATOM 438 CB SER I 199 -34.455 2.274 45.104 1.00 4.04 C +ATOM 439 OG SER I 199 -35.614 2.032 44.332 1.00 4.43 O +ATOM 440 N ASP I 200 -33.443 5.193 44.333 1.00 4.13 N +ATOM 441 CA ASP I 200 -33.616 6.558 43.828 1.00 4.13 C +ATOM 442 C ASP I 200 -32.577 6.938 42.773 1.00 4.05 C +ATOM 443 O ASP I 200 -32.909 7.528 41.750 1.00 4.32 O +ATOM 444 CB ASP I 200 -33.553 7.566 44.978 1.00 4.18 C +ATOM 445 CG ASP I 200 -34.822 7.590 45.800 1.00 4.20 C +ATOM 446 OD1 ASP I 200 -34.738 7.933 47.000 1.00 4.35 O +ATOM 447 OD2 ASP I 200 -35.900 7.274 45.248 1.00 4.43 O +ATOM 448 N GLN I 201 -31.319 6.617 43.020 1.00 3.86 N +ATOM 449 CA GLN I 201 -30.280 6.918 42.038 1.00 3.87 C +ATOM 450 C GLN I 201 -30.534 6.206 40.703 1.00 3.68 C +ATOM 451 O GLN I 201 -30.277 6.769 39.637 1.00 3.72 O +ATOM 452 CB GLN I 201 -28.906 6.554 42.584 1.00 3.80 C +ATOM 453 CG GLN I 201 -28.413 7.513 43.647 1.00 4.05 C +ATOM 454 CD GLN I 201 -27.257 6.941 44.428 1.00 4.67 C +ATOM 455 OE1 GLN I 201 -27.396 5.905 45.075 1.00 5.28 O +ATOM 456 NE2 GLN I 201 -26.103 7.602 44.364 1.00 4.65 N +ATOM 457 N LEU I 202 -31.051 4.981 40.775 1.00 3.35 N +ATOM 458 CA LEU I 202 -31.320 4.177 39.583 1.00 3.04 C +ATOM 459 C LEU I 202 -32.412 4.803 38.737 1.00 2.98 C +ATOM 460 O LEU I 202 -32.349 4.778 37.512 1.00 2.60 O +ATOM 461 CB LEU I 202 -31.727 2.754 39.970 1.00 2.92 C +ATOM 462 CG LEU I 202 -31.727 1.732 38.833 1.00 2.60 C +ATOM 463 CD1 LEU I 202 -30.296 1.455 38.363 1.00 2.71 C +ATOM 464 CD2 LEU I 202 -32.406 0.443 39.258 1.00 2.00 C +ATOM 465 N HIS I 203 -33.421 5.357 39.406 1.00 3.28 N +ATOM 466 CA HIS I 203 -34.550 5.990 38.732 1.00 3.27 C +ATOM 467 C HIS I 203 -34.118 7.200 37.908 1.00 3.30 C +ATOM 468 O HIS I 203 -34.548 7.361 36.768 1.00 3.31 O +ATOM 469 CB HIS I 203 -35.605 6.414 39.750 1.00 3.39 C +ATOM 470 CG HIS I 203 -36.788 7.091 39.133 1.00 3.36 C +ATOM 471 ND1 HIS I 203 -37.571 6.483 38.176 1.00 3.36 N +ATOM 472 CD2 HIS I 203 -37.307 8.326 39.320 1.00 3.25 C +ATOM 473 CE1 HIS I 203 -38.528 7.314 37.804 1.00 3.90 C +ATOM 474 NE2 HIS I 203 -38.391 8.439 38.484 1.00 3.97 N +ATOM 475 N ILE I 204 -33.265 8.036 38.493 1.00 3.33 N +ATOM 476 CA ILE I 204 -32.738 9.222 37.817 1.00 3.36 C +ATOM 477 C ILE I 204 -32.026 8.828 36.522 1.00 3.42 C +ATOM 478 O ILE I 204 -32.277 9.412 35.466 1.00 3.56 O +ATOM 479 CB ILE I 204 -31.747 10.010 38.719 1.00 3.34 C +ATOM 480 CG1 ILE I 204 -32.434 10.519 39.994 1.00 3.46 C +ATOM 481 CG2 ILE I 204 -31.154 11.190 37.964 1.00 3.19 C +ATOM 482 CD1 ILE I 204 -33.585 11.473 39.742 1.00 3.28 C +ATOM 483 N LEU I 205 -31.148 7.830 36.611 1.00 3.33 N +ATOM 484 CA LEU I 205 -30.420 7.326 35.444 1.00 3.26 C +ATOM 485 C LEU I 205 -31.351 6.770 34.372 1.00 3.25 C +ATOM 486 O LEU I 205 -31.099 6.938 33.184 1.00 3.29 O +ATOM 487 CB LEU I 205 -29.404 6.255 35.860 1.00 3.18 C +ATOM 488 CG LEU I 205 -28.249 6.770 36.721 1.00 2.90 C +ATOM 489 CD1 LEU I 205 -27.397 5.621 37.237 1.00 2.88 C +ATOM 490 CD2 LEU I 205 -27.409 7.761 35.932 1.00 2.57 C +ATOM 491 N LYS I 206 -32.422 6.107 34.796 1.00 3.33 N +ATOM 492 CA LYS I 206 -33.414 5.571 33.863 1.00 3.39 C +ATOM 493 C LYS I 206 -34.168 6.690 33.133 1.00 3.37 C +ATOM 494 O LYS I 206 -34.361 6.628 31.915 1.00 3.26 O +ATOM 495 CB LYS I 206 -34.402 4.657 34.596 1.00 3.42 C +ATOM 496 CG LYS I 206 -33.837 3.292 34.972 1.00 3.45 C +ATOM 497 CD LYS I 206 -34.885 2.447 35.688 1.00 3.49 C +ATOM 498 CE LYS I 206 -34.332 1.105 36.147 1.00 3.70 C +ATOM 499 NZ LYS I 206 -33.726 0.305 35.049 1.00 3.57 N +ATOM 500 N VAL I 207 -34.574 7.711 33.887 1.00 3.35 N +ATOM 501 CA VAL I 207 -35.327 8.852 33.349 1.00 3.34 C +ATOM 502 C VAL I 207 -34.501 9.683 32.366 1.00 3.42 C +ATOM 503 O VAL I 207 -35.033 10.186 31.377 1.00 3.42 O +ATOM 504 CB VAL I 207 -35.819 9.779 34.483 1.00 3.30 C +ATOM 505 CG1 VAL I 207 -36.499 11.012 33.913 1.00 3.33 C +ATOM 506 CG2 VAL I 207 -36.759 9.029 35.418 1.00 3.02 C +ATOM 507 N LEU I 208 -33.204 9.819 32.645 1.00 3.45 N +ATOM 508 CA LEU I 208 -32.283 10.575 31.784 1.00 3.39 C +ATOM 509 C LEU I 208 -31.764 9.759 30.595 1.00 3.35 C +ATOM 510 O LEU I 208 -31.040 10.284 29.745 1.00 3.13 O +ATOM 511 CB LEU I 208 -31.102 11.102 32.606 1.00 3.38 C +ATOM 512 CG LEU I 208 -31.428 12.313 33.481 1.00 3.31 C +ATOM 513 CD1 LEU I 208 -30.387 12.498 34.573 1.00 3.14 C +ATOM 514 CD2 LEU I 208 -31.547 13.566 32.624 1.00 3.17 C +ATOM 515 N GLY I 209 -32.126 8.478 30.547 1.00 3.42 N +ATOM 516 CA GLY I 209 -31.776 7.605 29.429 1.00 3.46 C +ATOM 517 C GLY I 209 -30.398 6.979 29.515 1.00 3.54 C +ATOM 518 O GLY I 209 -30.015 6.222 28.623 1.00 3.63 O +ATOM 519 N ILE I 210 -29.656 7.284 30.583 1.00 3.57 N +ATOM 520 CA ILE I 210 -28.284 6.802 30.750 1.00 3.50 C +ATOM 521 C ILE I 210 -28.288 5.280 30.869 1.00 3.54 C +ATOM 522 O ILE I 210 -27.453 4.599 30.277 1.00 3.41 O +ATOM 523 CB ILE I 210 -27.604 7.410 31.998 1.00 3.54 C +ATOM 524 CG1 ILE I 210 -27.557 8.941 31.913 1.00 3.50 C +ATOM 525 CG2 ILE I 210 -26.196 6.851 32.172 1.00 3.15 C +ATOM 526 CD1 ILE I 210 -26.825 9.473 30.715 1.00 3.65 C +ATOM 527 N LEU I 211 -29.236 4.761 31.644 1.00 3.55 N +ATOM 528 CA LEU I 211 -29.510 3.330 31.680 1.00 3.59 C +ATOM 529 C LEU I 211 -30.877 3.071 31.062 1.00 3.61 C +ATOM 530 O LEU I 211 -31.751 3.933 31.108 1.00 3.61 O +ATOM 531 CB LEU I 211 -29.486 2.805 33.118 1.00 3.56 C +ATOM 532 CG LEU I 211 -28.145 2.914 33.848 1.00 3.58 C +ATOM 533 CD1 LEU I 211 -28.243 2.278 35.223 1.00 3.37 C +ATOM 534 CD2 LEU I 211 -27.014 2.276 33.040 1.00 3.08 C +ATOM 535 N PRO I 212 -31.067 1.883 30.469 1.00 3.71 N +ATOM 536 CA PRO I 212 -32.407 1.526 30.013 1.00 3.78 C +ATOM 537 C PRO I 212 -33.329 1.253 31.194 1.00 3.86 C +ATOM 538 O PRO I 212 -32.851 1.008 32.303 1.00 3.98 O +ATOM 539 CB PRO I 212 -32.179 0.249 29.204 1.00 3.81 C +ATOM 540 CG PRO I 212 -30.905 -0.318 29.725 1.00 3.82 C +ATOM 541 CD PRO I 212 -30.072 0.840 30.158 1.00 3.69 C +ATOM 542 N PHE I 213 -34.637 1.288 30.953 1.00 3.84 N +ATOM 543 CA PHE I 213 -35.623 1.014 32.002 1.00 3.97 C +ATOM 544 C PHE I 213 -35.474 -0.403 32.556 1.00 4.00 C +ATOM 545 O PHE I 213 -35.965 -0.704 33.648 1.00 4.22 O +ATOM 546 CB PHE I 213 -37.053 1.184 31.466 1.00 3.98 C +ATOM 547 CG PHE I 213 -37.579 -0.031 30.746 1.00 4.13 C +ATOM 548 CD1 PHE I 213 -37.079 -0.389 29.498 1.00 4.49 C +ATOM 549 CD2 PHE I 213 -38.559 -0.831 31.325 1.00 4.33 C +ATOM 550 CE1 PHE I 213 -37.559 -1.516 28.831 1.00 4.64 C +ATOM 551 CE2 PHE I 213 -39.043 -1.960 30.665 1.00 4.28 C +ATOM 552 CZ PHE I 213 -38.545 -2.301 29.416 1.00 4.33 C +ATOM 553 N ASN I 214 -34.815 -1.260 31.780 1.00 3.93 N +ATOM 554 CA AASN I 214 -34.647 -2.670 32.114 0.50 3.92 C +ATOM 555 CA BASN I 214 -34.661 -2.670 32.136 0.50 3.93 C +ATOM 556 C ASN I 214 -33.566 -2.912 33.176 1.00 3.91 C +ATOM 557 O ASN I 214 -33.606 -3.909 33.896 1.00 3.85 O +ATOM 558 CB AASN I 214 -34.309 -3.455 30.839 0.50 3.93 C +ATOM 559 CB BASN I 214 -34.431 -3.537 30.882 0.50 3.95 C +ATOM 560 CG AASN I 214 -34.940 -4.824 30.816 0.50 3.95 C +ATOM 561 CG BASN I 214 -33.125 -3.227 30.164 0.50 3.98 C +ATOM 562 OD1AASN I 214 -34.416 -5.752 30.202 0.50 4.26 O +ATOM 563 OD1BASN I 214 -32.038 -3.336 30.733 0.50 4.40 O +ATOM 564 ND2AASN I 214 -36.078 -4.959 31.485 0.50 3.82 N +ATOM 565 ND2BASN I 214 -33.233 -2.872 28.889 0.50 3.97 N +ATOM 566 N ALA I 215 -32.602 -1.991 33.254 1.00 3.98 N +ATOM 567 CA ALA I 215 -31.435 -2.089 34.149 1.00 3.86 C +ATOM 568 C ALA I 215 -31.729 -2.744 35.507 1.00 4.03 C +ATOM 569 O ALA I 215 -32.620 -2.290 36.235 1.00 3.73 O +ATOM 570 CB ALA I 215 -30.837 -0.708 34.365 1.00 3.75 C +ATOM 571 N PRO I 216 -30.966 -3.803 35.858 1.00 4.27 N +ATOM 572 CA PRO I 216 -31.179 -4.515 37.123 1.00 4.43 C +ATOM 573 C PRO I 216 -30.709 -3.702 38.332 1.00 4.60 C +ATOM 574 O PRO I 216 -31.371 -3.689 39.370 1.00 5.04 O +ATOM 575 CB PRO I 216 -30.319 -5.773 36.965 1.00 4.52 C +ATOM 576 CG PRO I 216 -29.197 -5.367 36.046 1.00 4.39 C +ATOM 577 CD PRO I 216 -29.752 -4.274 35.155 1.00 4.36 C +ATOM 578 N SER I 217 -29.565 -3.047 38.181 1.00 4.59 N +ATOM 579 CA SER I 217 -29.025 -2.126 39.166 1.00 4.71 C +ATOM 580 C SER I 217 -27.809 -1.494 38.505 1.00 4.72 C +ATOM 581 O SER I 217 -27.691 -1.523 37.274 1.00 4.98 O +ATOM 582 CB SER I 217 -28.625 -2.834 40.463 1.00 4.85 C +ATOM 583 OG SER I 217 -28.231 -1.889 41.447 1.00 5.15 O +ATOM 584 N CYS I 218 -26.899 -0.941 39.296 1.00 4.52 N +ATOM 585 CA CYS I 218 -25.803 -0.176 38.721 1.00 4.73 C +ATOM 586 C CYS I 218 -24.682 0.069 39.735 1.00 4.39 C +ATOM 587 O CYS I 218 -24.932 0.505 40.860 1.00 4.50 O +ATOM 588 CB CYS I 218 -26.364 1.143 38.168 1.00 4.74 C +ATOM 589 SG CYS I 218 -25.166 2.429 37.840 1.00 6.52 S +ATOM 590 N GLY I 219 -23.453 -0.238 39.337 1.00 4.05 N +ATOM 591 CA GLY I 219 -22.288 0.017 40.177 1.00 3.89 C +ATOM 592 C GLY I 219 -21.842 1.459 40.036 1.00 3.78 C +ATOM 593 O GLY I 219 -21.998 2.058 38.969 1.00 3.74 O +ATOM 594 N LEU I 220 -21.293 2.016 41.112 1.00 3.65 N +ATOM 595 CA LEU I 220 -20.803 3.393 41.105 1.00 3.71 C +ATOM 596 C LEU I 220 -19.333 3.417 41.514 1.00 4.08 C +ATOM 597 O LEU I 220 -18.986 2.992 42.612 1.00 4.34 O +ATOM 598 CB LEU I 220 -21.627 4.268 42.044 1.00 3.70 C +ATOM 599 CG LEU I 220 -23.137 4.379 41.774 1.00 3.21 C +ATOM 600 CD1 LEU I 220 -23.810 5.117 42.911 1.00 2.48 C +ATOM 601 CD2 LEU I 220 -23.420 5.071 40.448 1.00 2.48 C +ATOM 602 N ILE I 221 -18.481 3.920 40.621 1.00 4.20 N +ATOM 603 CA ILE I 221 -17.029 3.911 40.806 1.00 4.26 C +ATOM 604 C ILE I 221 -16.512 5.344 40.974 1.00 4.42 C +ATOM 605 O ILE I 221 -16.964 6.257 40.278 1.00 4.61 O +ATOM 606 CB ILE I 221 -16.339 3.215 39.601 1.00 4.26 C +ATOM 607 CG1 ILE I 221 -14.834 3.057 39.840 1.00 4.05 C +ATOM 608 CG2 ILE I 221 -16.632 3.960 38.296 1.00 3.86 C +ATOM 609 CD1 ILE I 221 -14.140 2.207 38.775 1.00 3.54 C +ATOM 610 N THR I 222 -15.577 5.549 41.900 1.00 4.47 N +ATOM 611 CA THR I 222 -15.032 6.893 42.139 1.00 4.49 C +ATOM 612 C THR I 222 -14.156 7.306 40.959 1.00 4.53 C +ATOM 613 O THR I 222 -13.671 6.455 40.214 1.00 4.56 O +ATOM 614 CB THR I 222 -14.178 6.992 43.433 1.00 4.56 C +ATOM 615 OG1 THR I 222 -12.925 6.321 43.243 1.00 4.31 O +ATOM 616 CG2 THR I 222 -14.916 6.408 44.636 1.00 4.47 C +ATOM 617 N LEU I 223 -13.959 8.612 40.800 1.00 4.41 N +ATOM 618 CA LEU I 223 -13.208 9.138 39.672 1.00 4.31 C +ATOM 619 C LEU I 223 -11.794 8.573 39.707 1.00 4.40 C +ATOM 620 O LEU I 223 -11.322 8.011 38.717 1.00 4.22 O +ATOM 621 CB LEU I 223 -13.189 10.675 39.683 1.00 4.30 C +ATOM 622 CG LEU I 223 -12.339 11.367 38.603 1.00 4.23 C +ATOM 623 CD1 LEU I 223 -12.674 10.851 37.200 1.00 4.02 C +ATOM 624 CD2 LEU I 223 -12.495 12.877 38.675 1.00 3.61 C +ATOM 625 N THR I 224 -11.143 8.695 40.864 1.00 4.40 N +ATOM 626 CA THR I 224 -9.782 8.192 41.036 1.00 4.35 C +ATOM 627 C THR I 224 -9.689 6.701 40.693 1.00 4.29 C +ATOM 628 O THR I 224 -8.796 6.295 39.944 1.00 4.41 O +ATOM 629 CB THR I 224 -9.220 8.483 42.461 1.00 4.46 C +ATOM 630 OG1 THR I 224 -7.855 8.049 42.541 1.00 4.79 O +ATOM 631 CG2 THR I 224 -10.027 7.785 43.540 1.00 4.61 C +ATOM 632 N ASP I 225 -10.614 5.893 41.208 1.00 4.28 N +ATOM 633 CA ASP I 225 -10.654 4.464 40.863 1.00 4.39 C +ATOM 634 C ASP I 225 -10.936 4.253 39.371 1.00 4.37 C +ATOM 635 O ASP I 225 -10.362 3.356 38.747 1.00 4.49 O +ATOM 636 CB ASP I 225 -11.691 3.704 41.702 1.00 4.43 C +ATOM 637 CG ASP I 225 -11.236 3.458 43.144 1.00 5.04 C +ATOM 638 OD1 ASP I 225 -10.029 3.564 43.438 1.00 7.07 O +ATOM 639 OD2 ASP I 225 -12.095 3.144 43.996 1.00 6.46 O +ATOM 640 N ALA I 226 -11.802 5.090 38.803 1.00 4.34 N +ATOM 641 CA ALA I 226 -12.113 5.029 37.372 1.00 4.24 C +ATOM 642 C ALA I 226 -10.881 5.321 36.521 1.00 4.22 C +ATOM 643 O ALA I 226 -10.653 4.657 35.508 1.00 4.63 O +ATOM 644 CB ALA I 226 -13.237 5.996 37.029 1.00 4.18 C +ATOM 645 N GLN I 227 -10.092 6.312 36.934 1.00 4.17 N +ATOM 646 CA AGLN I 227 -8.872 6.661 36.207 0.50 4.15 C +ATOM 647 CA BGLN I 227 -8.857 6.676 36.236 0.50 4.14 C +ATOM 648 C GLN I 227 -7.848 5.531 36.293 1.00 4.20 C +ATOM 649 O GLN I 227 -7.117 5.280 35.335 1.00 4.32 O +ATOM 650 CB AGLN I 227 -8.271 7.971 36.722 0.50 4.11 C +ATOM 651 CB BGLN I 227 -8.248 7.941 36.852 0.50 4.09 C +ATOM 652 CG AGLN I 227 -7.095 8.475 35.885 0.50 4.05 C +ATOM 653 CG BGLN I 227 -9.060 9.209 36.614 0.50 3.97 C +ATOM 654 CD AGLN I 227 -7.384 8.465 34.390 0.50 4.06 C +ATOM 655 CD BGLN I 227 -8.639 10.357 37.518 0.50 4.00 C +ATOM 656 OE1AGLN I 227 -8.496 8.760 33.959 0.50 4.06 O +ATOM 657 OE1BGLN I 227 -7.945 10.157 38.516 0.50 3.92 O +ATOM 658 NE2AGLN I 227 -6.377 8.129 33.594 0.50 4.14 N +ATOM 659 NE2BGLN I 227 -9.061 11.567 37.172 0.50 3.96 N +ATOM 660 N ARG I 228 -7.811 4.842 37.432 1.00 4.28 N +ATOM 661 CA AARG I 228 -6.902 3.710 37.632 0.50 4.21 C +ATOM 662 CA BARG I 228 -6.892 3.717 37.615 0.50 4.25 C +ATOM 663 C ARG I 228 -7.315 2.545 36.737 1.00 4.31 C +ATOM 664 O ARG I 228 -6.473 1.928 36.077 1.00 4.25 O +ATOM 665 CB AARG I 228 -6.917 3.270 39.097 0.50 4.12 C +ATOM 666 CB BARG I 228 -6.817 3.302 39.088 0.50 4.19 C +ATOM 667 CG AARG I 228 -5.737 2.417 39.511 0.50 4.02 C +ATOM 668 CG BARG I 228 -6.080 4.316 39.947 0.50 4.26 C +ATOM 669 CD AARG I 228 -5.973 1.826 40.876 0.50 3.67 C +ATOM 670 CD BARG I 228 -5.951 3.877 41.387 0.50 4.26 C +ATOM 671 NE AARG I 228 -4.741 1.653 41.634 0.50 4.23 N +ATOM 672 NE BARG I 228 -5.435 2.518 41.506 0.50 4.27 N +ATOM 673 CZ AARG I 228 -3.562 2.146 41.274 0.50 4.18 C +ATOM 674 CZ BARG I 228 -6.138 1.493 41.979 0.50 4.88 C +ATOM 675 NH1AARG I 228 -3.454 2.852 40.156 0.50 4.25 N +ATOM 676 NH1BARG I 228 -7.392 1.673 42.391 0.50 5.20 N +ATOM 677 NH2AARG I 228 -2.495 1.931 42.033 0.50 3.94 N +ATOM 678 NH2BARG I 228 -5.587 0.289 42.059 0.50 4.94 N +ATOM 679 N LEU I 229 -8.620 2.252 36.726 1.00 4.33 N +ATOM 680 CA LEU I 229 -9.178 1.216 35.852 1.00 4.34 C +ATOM 681 C LEU I 229 -8.785 1.481 34.405 1.00 4.56 C +ATOM 682 O LEU I 229 -8.273 0.592 33.718 1.00 4.80 O +ATOM 683 CB LEU I 229 -10.700 1.177 35.968 1.00 4.37 C +ATOM 684 CG LEU I 229 -11.474 0.172 35.105 1.00 4.56 C +ATOM 685 CD1 LEU I 229 -10.902 -1.236 35.237 1.00 4.57 C +ATOM 686 CD2 LEU I 229 -12.972 0.196 35.466 1.00 3.85 C +ATOM 687 N CYS I 230 -9.010 2.713 33.955 1.00 4.64 N +ATOM 688 CA CYS I 230 -8.687 3.101 32.585 1.00 4.72 C +ATOM 689 C CYS I 230 -7.190 2.969 32.294 1.00 4.80 C +ATOM 690 O CYS I 230 -6.798 2.419 31.261 1.00 5.27 O +ATOM 691 CB CYS I 230 -9.159 4.531 32.310 1.00 4.86 C +ATOM 692 SG CYS I 230 -10.975 4.717 32.248 1.00 5.13 S +ATOM 693 N ASN I 231 -6.352 3.460 33.200 1.00 4.72 N +ATOM 694 CA ASN I 231 -4.898 3.339 33.030 1.00 4.56 C +ATOM 695 C ASN I 231 -4.441 1.881 32.933 1.00 4.45 C +ATOM 696 O ASN I 231 -3.555 1.552 32.131 1.00 4.74 O +ATOM 697 CB ASN I 231 -4.150 4.048 34.169 1.00 4.57 C +ATOM 698 CG ASN I 231 -4.235 5.568 34.079 1.00 4.76 C +ATOM 699 OD1 ASN I 231 -4.217 6.141 32.990 1.00 5.86 O +ATOM 700 ND2 ASN I 231 -4.305 6.227 35.231 1.00 4.34 N +ATOM 701 N ALA I 232 -5.046 1.015 33.744 1.00 4.24 N +ATOM 702 CA ALA I 232 -4.685 -0.409 33.782 1.00 4.13 C +ATOM 703 C ALA I 232 -5.142 -1.196 32.552 1.00 4.11 C +ATOM 704 O ALA I 232 -4.559 -2.226 32.232 1.00 4.47 O +ATOM 705 CB ALA I 232 -5.223 -1.060 35.039 1.00 3.92 C +ATOM 706 N LEU I 233 -6.179 -0.725 31.869 1.00 4.01 N +ATOM 707 CA LEU I 233 -6.679 -1.403 30.670 1.00 3.97 C +ATOM 708 C LEU I 233 -6.166 -0.748 29.394 1.00 4.08 C +ATOM 709 O LEU I 233 -5.839 -1.445 28.430 1.00 4.14 O +ATOM 710 CB LEU I 233 -8.211 -1.424 30.658 1.00 4.09 C +ATOM 711 CG LEU I 233 -8.911 -2.354 31.661 1.00 3.80 C +ATOM 712 CD1 LEU I 233 -10.375 -2.045 31.714 1.00 3.09 C +ATOM 713 CD2 LEU I 233 -8.693 -3.816 31.301 1.00 3.29 C +ATOM 714 N LEU I 234 -6.099 0.585 29.386 1.00 4.13 N +ATOM 715 CA LEU I 234 -5.716 1.343 28.181 1.00 4.17 C +ATOM 716 C LEU I 234 -4.218 1.671 28.086 1.00 4.18 C +ATOM 717 O LEU I 234 -3.736 2.024 27.008 1.00 4.22 O +ATOM 718 CB LEU I 234 -6.509 2.653 28.099 1.00 4.18 C +ATOM 719 CG LEU I 234 -8.037 2.565 28.117 1.00 4.14 C +ATOM 720 CD1 LEU I 234 -8.639 3.962 28.114 1.00 3.49 C +ATOM 721 CD2 LEU I 234 -8.551 1.759 26.933 1.00 4.02 C +ATOM 722 N ARG I 235 -3.494 1.590 29.205 1.00 4.14 N +ATOM 723 CA ARG I 235 -2.070 1.948 29.232 1.00 4.07 C +ATOM 724 C ARG I 235 -1.247 1.037 30.144 1.00 3.92 C +ATOM 725 O ARG I 235 -0.607 1.511 31.086 1.00 3.94 O +ATOM 726 CB ARG I 235 -1.889 3.401 29.678 1.00 4.11 C +ATOM 727 CG ARG I 235 -2.727 4.405 28.920 1.00 4.50 C +ATOM 728 CD ARG I 235 -2.455 5.809 29.404 1.00 4.76 C +ATOM 729 NE ARG I 235 -3.386 6.773 28.827 1.00 5.12 N +ATOM 730 CZ ARG I 235 -4.634 6.988 29.250 1.00 5.48 C +ATOM 731 NH1 ARG I 235 -5.148 6.299 30.267 1.00 5.04 N +ATOM 732 NH2 ARG I 235 -5.377 7.909 28.641 1.00 5.83 N +ATOM 733 N PRO I 236 -1.244 -0.275 29.862 1.00 3.83 N +ATOM 734 CA PRO I 236 -0.419 -1.176 30.660 1.00 3.80 C +ATOM 735 C PRO I 236 1.068 -0.843 30.551 1.00 4.04 C +ATOM 736 O PRO I 236 1.539 -0.427 29.493 1.00 3.65 O +ATOM 737 CB PRO I 236 -0.709 -2.554 30.054 1.00 3.80 C +ATOM 738 CG PRO I 236 -1.221 -2.282 28.685 1.00 3.67 C +ATOM 739 CD PRO I 236 -1.963 -0.986 28.790 1.00 3.81 C +ATOM 740 N ARG I 237 1.785 -1.016 31.655 1.00 4.31 N +ATOM 741 CA ARG I 237 3.217 -0.785 31.697 1.00 4.15 C +ATOM 742 C ARG I 237 3.888 -1.995 31.081 1.00 4.35 C +ATOM 743 O ARG I 237 4.279 -1.965 29.908 1.00 4.64 O +ATOM 744 CB ARG I 237 3.695 -0.573 33.138 1.00 4.20 C +ATOM 745 CG ARG I 237 2.939 0.539 33.893 1.00 4.62 C +ATOM 746 CD ARG I 237 3.203 0.505 35.401 1.00 4.84 C +ATOM 747 NE ARG I 237 2.209 1.269 36.170 1.00 5.20 N +ATOM 748 CZ ARG I 237 2.169 2.600 36.263 1.00 5.29 C +ATOM 749 NH1 ARG I 237 3.068 3.357 35.636 1.00 5.55 N +ATOM 750 NH2 ARG I 237 1.229 3.183 37.001 1.00 4.96 N Added: SwiftApps/modFTdock/input/3fxt-3.pdb =================================================================== --- SwiftApps/modFTdock/input/3fxt-3.pdb (rev 0) +++ SwiftApps/modFTdock/input/3fxt-3.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,721 @@ +ATOM 1 N GLN F 42 96.815 52.277 36.553 1.00 19.94 N +ATOM 2 CA GLN F 42 97.703 51.994 37.722 1.00 20.22 C +ATOM 3 C GLN F 42 97.462 50.597 38.323 1.00 19.80 C +ATOM 4 O GLN F 42 98.420 49.900 38.662 1.00 19.74 O +ATOM 5 CB GLN F 42 97.554 53.073 38.802 1.00 20.30 C +ATOM 6 CG GLN F 42 98.470 54.286 38.616 1.00 21.43 C +ATOM 7 CD GLN F 42 99.815 54.155 39.341 1.00 22.11 C +ATOM 8 OE1 GLN F 42 100.611 53.249 39.064 1.00 22.15 O +ATOM 9 NE2 GLN F 42 100.074 55.076 40.266 1.00 21.87 N +ATOM 10 N ASER F 43 96.198 50.203 38.459 0.50 19.57 N +ATOM 11 N BSER F 43 96.193 50.209 38.444 0.50 19.62 N +ATOM 12 CA ASER F 43 95.857 48.870 38.983 0.50 19.31 C +ATOM 13 CA BSER F 43 95.822 48.876 38.940 0.50 19.40 C +ATOM 14 C ASER F 43 96.004 47.777 37.917 0.50 18.96 C +ATOM 15 C BSER F 43 96.070 47.801 37.879 0.50 19.00 C +ATOM 16 O ASER F 43 95.518 47.907 36.793 0.50 18.92 O +ATOM 17 O BSER F 43 95.724 47.972 36.709 0.50 18.91 O +ATOM 18 CB ASER F 43 94.445 48.851 39.572 0.50 19.22 C +ATOM 19 CB BSER F 43 94.351 48.841 39.360 0.50 19.35 C +ATOM 20 OG ASER F 43 94.421 49.476 40.842 0.50 19.10 O +ATOM 21 OG BSER F 43 93.505 48.700 38.231 0.50 19.50 O +ATOM 22 N MET F 44 96.670 46.693 38.298 1.00 18.65 N +ATOM 23 CA MET F 44 97.009 45.609 37.372 1.00 18.05 C +ATOM 24 C MET F 44 95.848 44.683 37.058 1.00 16.66 C +ATOM 25 O MET F 44 95.039 44.380 37.919 1.00 16.88 O +ATOM 26 CB MET F 44 98.158 44.789 37.937 1.00 18.27 C +ATOM 27 CG MET F 44 97.851 44.114 39.257 1.00 19.72 C +ATOM 28 SD MET F 44 99.353 43.527 40.021 1.00 21.94 S +ATOM 29 CE MET F 44 100.156 45.117 40.282 1.00 23.07 C +ATOM 30 N ASP F 45 95.788 44.240 35.811 1.00 15.32 N +ATOM 31 CA ASP F 45 94.855 43.217 35.387 1.00 14.29 C +ATOM 32 C ASP F 45 95.383 41.885 35.937 1.00 13.30 C +ATOM 33 O ASP F 45 96.544 41.522 35.708 1.00 13.41 O +ATOM 34 CB ASP F 45 94.782 43.197 33.859 1.00 14.22 C +ATOM 35 CG ASP F 45 93.628 42.353 33.312 1.00 15.36 C +ATOM 36 OD1 ASP F 45 92.927 41.638 34.076 1.00 15.28 O +ATOM 37 OD2 ASP F 45 93.441 42.391 32.077 1.00 17.98 O +ATOM 38 N LEU F 46 94.543 41.168 36.677 1.00 11.66 N +ATOM 39 CA LEU F 46 94.936 39.861 37.237 1.00 10.59 C +ATOM 40 C LEU F 46 94.760 38.719 36.233 1.00 9.85 C +ATOM 41 O LEU F 46 95.421 37.694 36.332 1.00 9.39 O +ATOM 42 CB LEU F 46 94.186 39.564 38.533 1.00 10.14 C +ATOM 43 CG LEU F 46 94.951 39.974 39.788 1.00 9.61 C +ATOM 44 CD1 LEU F 46 95.307 41.450 39.743 1.00 8.83 C +ATOM 45 CD2 LEU F 46 94.145 39.639 41.049 1.00 7.94 C +ATOM 46 N GLN F 47 93.864 38.917 35.271 1.00 9.40 N +ATOM 47 CA GLN F 47 93.755 38.056 34.089 1.00 8.84 C +ATOM 48 C GLN F 47 93.463 36.595 34.418 1.00 7.91 C +ATOM 49 O GLN F 47 94.111 35.676 33.896 1.00 7.10 O +ATOM 50 CB GLN F 47 95.014 38.195 33.234 1.00 9.23 C +ATOM 51 CG GLN F 47 95.123 39.578 32.612 1.00 10.83 C +ATOM 52 CD GLN F 47 96.450 39.849 31.961 1.00 12.36 C +ATOM 53 OE1 GLN F 47 97.406 39.089 32.136 1.00 14.67 O +ATOM 54 NE2 GLN F 47 96.526 40.941 31.199 1.00 11.34 N +ATOM 55 N GLY F 48 92.466 36.404 35.281 1.00 7.25 N +ATOM 56 CA GLY F 48 92.058 35.074 35.732 1.00 6.73 C +ATOM 57 C GLY F 48 91.235 34.337 34.691 1.00 6.32 C +ATOM 58 O GLY F 48 90.648 34.952 33.807 1.00 6.01 O +ATOM 59 N GLU F 49 91.212 33.014 34.807 1.00 5.93 N +ATOM 60 CA GLU F 49 90.449 32.137 33.918 1.00 5.92 C +ATOM 61 C GLU F 49 89.073 31.885 34.488 1.00 5.48 C +ATOM 62 O GLU F 49 88.924 31.576 35.654 1.00 4.90 O +ATOM 63 CB GLU F 49 91.141 30.775 33.754 1.00 5.90 C +ATOM 64 CG GLU F 49 92.181 30.725 32.682 1.00 7.56 C +ATOM 65 CD GLU F 49 92.910 29.391 32.613 1.00 9.43 C +ATOM 66 OE1 GLU F 49 92.567 28.472 33.386 1.00 11.63 O +ATOM 67 OE2 GLU F 49 93.843 29.267 31.792 1.00 9.83 O +ATOM 68 N LEU F 50 88.072 32.005 33.639 1.00 5.82 N +ATOM 69 CA LEU F 50 86.700 31.732 34.019 1.00 6.10 C +ATOM 70 C LEU F 50 86.417 30.236 33.859 1.00 6.18 C +ATOM 71 O LEU F 50 86.834 29.634 32.874 1.00 6.06 O +ATOM 72 CB LEU F 50 85.761 32.559 33.139 1.00 5.93 C +ATOM 73 CG LEU F 50 84.251 32.371 33.287 1.00 5.98 C +ATOM 74 CD1 LEU F 50 83.775 32.768 34.671 1.00 5.72 C +ATOM 75 CD2 LEU F 50 83.523 33.189 32.212 1.00 5.86 C +ATOM 76 N ASP F 51 85.717 29.641 34.827 1.00 6.55 N +ATOM 77 CA ASP F 51 85.238 28.255 34.692 1.00 7.02 C +ATOM 78 C ASP F 51 83.730 28.235 34.478 1.00 7.43 C +ATOM 79 O ASP F 51 83.076 29.271 34.553 1.00 7.22 O +ATOM 80 CB ASP F 51 85.643 27.383 35.892 1.00 6.96 C +ATOM 81 CG ASP F 51 85.097 27.888 37.229 1.00 7.40 C +ATOM 82 OD1 ASP F 51 83.950 28.377 37.297 1.00 6.92 O +ATOM 83 OD2 ASP F 51 85.820 27.758 38.234 1.00 10.36 O +ATOM 84 N ARG F 52 83.179 27.051 34.234 1.00 8.09 N +ATOM 85 CA ARG F 52 81.750 26.932 33.929 1.00 8.90 C +ATOM 86 C ARG F 52 80.827 27.081 35.142 1.00 8.06 C +ATOM 87 O ARG F 52 79.608 27.107 34.986 1.00 8.29 O +ATOM 88 CB ARG F 52 81.466 25.625 33.189 1.00 9.81 C +ATOM 89 CG ARG F 52 81.719 24.374 34.017 1.00 13.59 C +ATOM 90 CD ARG F 52 82.578 23.355 33.242 1.00 18.16 C +ATOM 91 NE ARG F 52 83.030 22.247 34.095 1.00 20.80 N +ATOM 92 CZ ARG F 52 83.924 22.359 35.077 1.00 22.00 C +ATOM 93 NH1 ARG F 52 84.482 23.534 35.380 1.00 23.44 N +ATOM 94 NH2 ARG F 52 84.257 21.286 35.770 1.00 22.38 N +ATOM 95 N PHE F 53 81.393 27.189 36.341 1.00 7.10 N +ATOM 96 CA PHE F 53 80.604 27.562 37.516 1.00 6.20 C +ATOM 97 C PHE F 53 80.541 29.071 37.703 1.00 5.76 C +ATOM 98 O PHE F 53 79.898 29.559 38.634 1.00 5.85 O +ATOM 99 CB PHE F 53 81.157 26.896 38.766 1.00 6.13 C +ATOM 100 CG PHE F 53 81.152 25.413 38.689 1.00 5.15 C +ATOM 101 CD1 PHE F 53 79.959 24.722 38.676 1.00 4.63 C +ATOM 102 CD2 PHE F 53 82.336 24.707 38.593 1.00 5.69 C +ATOM 103 CE1 PHE F 53 79.937 23.359 38.581 1.00 4.80 C +ATOM 104 CE2 PHE F 53 82.323 23.334 38.502 1.00 5.46 C +ATOM 105 CZ PHE F 53 81.118 22.662 38.494 1.00 5.56 C +ATOM 106 N GLY F 54 81.188 29.806 36.804 1.00 4.96 N +ATOM 107 CA GLY F 54 81.213 31.259 36.869 1.00 4.30 C +ATOM 108 C GLY F 54 82.271 31.762 37.825 1.00 3.53 C +ATOM 109 O GLY F 54 82.214 32.905 38.265 1.00 3.88 O +ATOM 110 N GLY F 55 83.243 30.908 38.135 1.00 2.38 N +ATOM 111 CA GLY F 55 84.370 31.283 38.979 1.00 2.00 C +ATOM 112 C GLY F 55 85.607 31.747 38.219 1.00 2.00 C +ATOM 113 O GLY F 55 85.786 31.442 37.039 1.00 2.00 O +ATOM 114 N ILE F 56 86.462 32.483 38.917 1.00 2.00 N +ATOM 115 CA ILE F 56 87.695 33.004 38.356 1.00 2.00 C +ATOM 116 C ILE F 56 88.895 32.440 39.114 1.00 2.00 C +ATOM 117 O ILE F 56 88.943 32.502 40.337 1.00 2.00 O +ATOM 118 CB ILE F 56 87.739 34.539 38.437 1.00 2.00 C +ATOM 119 CG1 ILE F 56 86.607 35.165 37.616 1.00 2.00 C +ATOM 120 CG2 ILE F 56 89.077 35.061 37.935 1.00 2.00 C +ATOM 121 CD1 ILE F 56 86.731 34.937 36.124 1.00 2.00 C +ATOM 122 N SER F 57 89.850 31.887 38.376 1.00 2.00 N +ATOM 123 CA SER F 57 91.084 31.365 38.954 1.00 2.00 C +ATOM 124 C SER F 57 92.290 32.216 38.536 1.00 2.00 C +ATOM 125 O SER F 57 92.563 32.386 37.353 1.00 2.00 O +ATOM 126 CB SER F 57 91.287 29.926 38.516 1.00 2.00 C +ATOM 127 OG SER F 57 90.233 29.116 39.029 1.00 2.00 O +ATOM 128 N VAL F 58 92.996 32.747 39.524 1.00 2.00 N +ATOM 129 CA VAL F 58 94.211 33.513 39.307 1.00 2.00 C +ATOM 130 C VAL F 58 95.400 32.669 39.793 1.00 2.00 C +ATOM 131 O VAL F 58 95.353 32.071 40.882 1.00 2.00 O +ATOM 132 CB VAL F 58 94.148 34.848 40.063 1.00 2.00 C +ATOM 133 CG1 VAL F 58 95.420 35.662 39.859 1.00 2.00 C +ATOM 134 CG2 VAL F 58 92.917 35.655 39.631 1.00 2.00 C +ATOM 135 N ARG F 59 96.445 32.603 38.975 1.00 2.00 N +ATOM 136 CA ARG F 59 97.639 31.863 39.303 1.00 2.00 C +ATOM 137 C ARG F 59 98.818 32.814 39.381 1.00 2.00 C +ATOM 138 O ARG F 59 99.237 33.369 38.375 1.00 2.00 O +ATOM 139 CB ARG F 59 97.890 30.777 38.257 1.00 2.00 C +ATOM 140 CG ARG F 59 96.822 29.688 38.282 1.00 2.00 C +ATOM 141 CD ARG F 59 97.008 28.641 37.191 1.00 2.27 C +ATOM 142 NE ARG F 59 96.048 27.545 37.354 1.00 5.16 N +ATOM 143 CZ ARG F 59 94.789 27.552 36.907 1.00 8.99 C +ATOM 144 NH1 ARG F 59 94.300 28.599 36.238 1.00 10.51 N +ATOM 145 NH2 ARG F 59 94.003 26.501 37.126 1.00 10.25 N +ATOM 146 N LEU F 60 99.340 32.998 40.586 1.00 2.00 N +ATOM 147 CA LEU F 60 100.471 33.901 40.817 1.00 2.00 C +ATOM 148 C LEU F 60 101.729 33.418 40.105 1.00 2.00 C +ATOM 149 O LEU F 60 102.573 34.234 39.729 1.00 2.00 O +ATOM 150 CB LEU F 60 100.733 34.084 42.317 1.00 2.00 C +ATOM 151 CG LEU F 60 99.886 35.170 42.988 1.00 2.00 C +ATOM 152 CD1 LEU F 60 100.240 36.556 42.432 1.00 2.00 C +ATOM 153 CD2 LEU F 60 98.385 34.924 42.842 1.00 2.00 C +ATOM 154 N ALA F 61 101.848 32.103 39.907 1.00 2.00 N +ATOM 155 CA ALA F 61 102.970 31.547 39.155 1.00 2.00 C +ATOM 156 C ALA F 61 102.994 32.074 37.714 1.00 2.00 C +ATOM 157 O ALA F 61 104.044 32.100 37.086 1.00 2.00 O +ATOM 158 CB ALA F 61 102.926 30.031 39.145 1.00 2.00 C +ATOM 159 N ARG F 62 101.831 32.465 37.189 1.00 2.00 N +ATOM 160 CA ARG F 62 101.756 33.035 35.849 1.00 2.00 C +ATOM 161 C ARG F 62 101.880 34.550 35.908 1.00 2.00 C +ATOM 162 O ARG F 62 102.597 35.156 35.125 1.00 2.00 O +ATOM 163 CB ARG F 62 100.436 32.680 35.187 1.00 2.00 C +ATOM 164 CG ARG F 62 100.242 31.204 34.974 1.00 2.00 C +ATOM 165 CD ARG F 62 98.993 30.937 34.177 1.00 2.00 C +ATOM 166 NE ARG F 62 98.623 29.527 34.230 1.00 2.00 N +ATOM 167 CZ ARG F 62 97.551 29.022 33.640 1.00 2.00 C +ATOM 168 NH1 ARG F 62 96.745 29.807 32.933 1.00 2.00 N +ATOM 169 NH2 ARG F 62 97.293 27.726 33.747 1.00 2.00 N +ATOM 170 N LEU F 63 101.159 35.142 36.848 1.00 2.00 N +ATOM 171 CA LEU F 63 101.028 36.585 36.953 1.00 2.00 C +ATOM 172 C LEU F 63 102.324 37.238 37.417 1.00 2.00 C +ATOM 173 O LEU F 63 102.644 38.336 36.993 1.00 2.00 O +ATOM 174 CB LEU F 63 99.881 36.910 37.907 1.00 2.00 C +ATOM 175 CG LEU F 63 99.501 38.368 38.118 1.00 2.00 C +ATOM 176 CD1 LEU F 63 98.938 38.977 36.849 1.00 2.79 C +ATOM 177 CD2 LEU F 63 98.482 38.419 39.243 1.00 3.40 C +ATOM 178 N ASP F 64 103.071 36.539 38.268 1.00 2.00 N +ATOM 179 CA ASP F 64 104.355 37.012 38.802 1.00 2.00 C +ATOM 180 C ASP F 64 105.410 35.905 38.699 1.00 2.00 C +ATOM 181 O ASP F 64 105.956 35.428 39.699 1.00 2.00 O +ATOM 182 CB ASP F 64 104.154 37.442 40.258 1.00 2.00 C +ATOM 183 CG ASP F 64 105.400 38.056 40.879 1.00 2.00 C +ATOM 184 OD1 ASP F 64 105.522 37.998 42.127 1.00 2.00 O +ATOM 185 OD2 ASP F 64 106.251 38.602 40.133 1.00 3.81 O +ATOM 186 N ALA F 65 105.701 35.511 37.468 1.00 2.00 N +ATOM 187 CA ALA F 65 106.560 34.356 37.206 1.00 2.00 C +ATOM 188 C ALA F 65 107.976 34.568 37.722 1.00 2.00 C +ATOM 189 O ALA F 65 108.637 33.617 38.128 1.00 2.00 O +ATOM 190 CB ALA F 65 106.573 34.036 35.715 1.00 2.00 C +ATOM 191 N LEU F 66 108.430 35.816 37.727 1.00 2.00 N +ATOM 192 CA LEU F 66 109.781 36.148 38.188 1.00 2.00 C +ATOM 193 C LEU F 66 109.860 36.491 39.684 1.00 2.00 C +ATOM 194 O LEU F 66 110.942 36.817 40.184 1.00 2.00 O +ATOM 195 CB LEU F 66 110.369 37.298 37.345 1.00 2.00 C +ATOM 196 CG LEU F 66 110.517 37.013 35.834 1.00 2.00 C +ATOM 197 CD1 LEU F 66 110.779 38.292 35.031 1.00 2.56 C +ATOM 198 CD2 LEU F 66 111.612 35.984 35.554 1.00 3.04 C +ATOM 199 N ASP F 67 108.728 36.420 40.389 1.00 2.00 N +ATOM 200 CA ASP F 67 108.672 36.721 41.819 1.00 2.00 C +ATOM 201 C ASP F 67 109.199 38.130 42.103 1.00 2.00 C +ATOM 202 O ASP F 67 110.079 38.328 42.948 1.00 2.00 O +ATOM 203 CB ASP F 67 109.451 35.670 42.623 1.00 2.00 C +ATOM 204 CG ASP F 67 109.094 35.672 44.109 1.00 2.00 C +ATOM 205 OD1 ASP F 67 108.077 36.294 44.504 1.00 2.00 O +ATOM 206 OD2 ASP F 67 109.844 35.047 44.893 1.00 2.00 O +ATOM 207 N ARG F 68 108.645 39.101 41.387 1.00 2.00 N +ATOM 208 CA ARG F 68 109.065 40.487 41.505 1.00 2.00 C +ATOM 209 C ARG F 68 107.953 41.435 41.926 1.00 2.00 C +ATOM 210 O ARG F 68 108.206 42.630 42.094 1.00 2.00 O +ATOM 211 CB ARG F 68 109.603 40.959 40.165 1.00 2.00 C +ATOM 212 CG ARG F 68 110.937 40.400 39.829 1.00 2.00 C +ATOM 213 CD ARG F 68 111.359 40.904 38.494 1.00 2.00 C +ATOM 214 NE ARG F 68 112.658 40.356 38.152 1.00 2.00 N +ATOM 215 CZ ARG F 68 113.294 40.583 37.017 1.00 2.00 C +ATOM 216 NH1 ARG F 68 112.751 41.362 36.093 1.00 2.00 N +ATOM 217 NH2 ARG F 68 114.483 40.029 36.819 1.00 2.26 N +ATOM 218 N LEU F 69 106.730 40.921 42.081 1.00 2.00 N +ATOM 219 CA LEU F 69 105.592 41.786 42.333 1.00 2.00 C +ATOM 220 C LEU F 69 105.449 42.161 43.814 1.00 2.00 C +ATOM 221 O LEU F 69 105.550 41.313 44.696 1.00 2.00 O +ATOM 222 CB LEU F 69 104.315 41.139 41.826 1.00 2.00 C +ATOM 223 CG LEU F 69 103.029 41.922 42.068 1.00 2.00 C +ATOM 224 CD1 LEU F 69 103.070 43.215 41.279 1.00 2.00 C +ATOM 225 CD2 LEU F 69 101.842 41.067 41.682 1.00 2.00 C +ATOM 226 N ASP F 70 105.184 43.441 44.058 1.00 2.00 N +ATOM 227 CA ASP F 70 105.017 43.978 45.403 1.00 2.00 C +ATOM 228 C ASP F 70 103.648 43.625 45.967 1.00 2.00 C +ATOM 229 O ASP F 70 102.645 43.710 45.259 1.00 2.00 O +ATOM 230 CB ASP F 70 105.172 45.501 45.375 1.00 2.00 C +ATOM 231 CG ASP F 70 105.004 46.129 46.742 1.00 2.00 C +ATOM 232 OD1 ASP F 70 105.860 45.882 47.634 1.00 2.00 O +ATOM 233 OD2 ASP F 70 104.019 46.877 46.915 1.00 2.00 O +ATOM 234 N ALA F 71 103.615 43.271 47.252 1.00 2.00 N +ATOM 235 CA ALA F 71 102.374 42.854 47.917 1.00 2.00 C +ATOM 236 C ALA F 71 101.312 43.939 47.881 1.00 2.00 C +ATOM 237 O ALA F 71 100.149 43.671 47.570 1.00 2.00 O +ATOM 238 CB ALA F 71 102.645 42.434 49.357 1.00 2.00 C +ATOM 239 N ALA F 72 101.713 45.166 48.182 1.00 2.00 N +ATOM 240 CA ALA F 72 100.776 46.274 48.222 1.00 2.00 C +ATOM 241 C ALA F 72 100.203 46.530 46.819 1.00 2.00 C +ATOM 242 O ALA F 72 99.016 46.810 46.656 1.00 2.00 O +ATOM 243 CB ALA F 72 101.457 47.541 48.811 1.00 2.00 C +ATOM 244 N ALA F 73 101.053 46.418 45.804 1.00 2.00 N +ATOM 245 CA ALA F 73 100.595 46.583 44.424 1.00 2.00 C +ATOM 246 C ALA F 73 99.638 45.436 44.048 1.00 2.00 C +ATOM 247 O ALA F 73 98.592 45.653 43.438 1.00 2.00 O +ATOM 248 CB ALA F 73 101.780 46.661 43.465 1.00 2.00 C +ATOM 249 N PHE F 74 99.976 44.220 44.440 1.00 2.00 N +ATOM 250 CA PHE F 74 99.057 43.087 44.235 1.00 2.00 C +ATOM 251 C PHE F 74 97.715 43.360 44.908 1.00 2.00 C +ATOM 252 O PHE F 74 96.667 43.191 44.314 1.00 2.00 O +ATOM 253 CB PHE F 74 99.633 41.770 44.758 1.00 2.00 C +ATOM 254 CG PHE F 74 98.643 40.637 44.726 1.00 2.00 C +ATOM 255 CD1 PHE F 74 98.277 40.049 43.521 1.00 2.00 C +ATOM 256 CD2 PHE F 74 98.046 40.191 45.888 1.00 2.00 C +ATOM 257 CE1 PHE F 74 97.345 39.040 43.485 1.00 2.00 C +ATOM 258 CE2 PHE F 74 97.128 39.180 45.859 1.00 2.00 C +ATOM 259 CZ PHE F 74 96.779 38.595 44.663 1.00 2.00 C +ATOM 260 N GLN F 75 97.759 43.834 46.137 1.00 2.00 N +ATOM 261 CA GLN F 75 96.537 44.104 46.854 1.00 2.00 C +ATOM 262 C GLN F 75 95.664 45.124 46.133 1.00 2.00 C +ATOM 263 O GLN F 75 94.453 44.934 46.017 1.00 2.00 O +ATOM 264 CB GLN F 75 96.813 44.566 48.280 1.00 2.00 C +ATOM 265 CG GLN F 75 95.521 44.718 49.085 1.00 3.43 C +ATOM 266 CD GLN F 75 95.718 45.450 50.385 1.00 8.62 C +ATOM 267 OE1 GLN F 75 96.724 45.251 51.075 1.00 11.77 O +ATOM 268 NE2 GLN F 75 94.751 46.305 50.740 1.00 11.87 N +ATOM 269 N LYS F 76 96.281 46.196 45.654 1.00 2.00 N +ATOM 270 CA LYS F 76 95.542 47.226 44.922 1.00 2.00 C +ATOM 271 C LYS F 76 94.882 46.593 43.688 1.00 2.00 C +ATOM 272 O LYS F 76 93.692 46.793 43.433 1.00 2.00 O +ATOM 273 CB LYS F 76 96.474 48.369 44.530 1.00 2.00 C +ATOM 274 CG LYS F 76 95.765 49.638 44.090 1.00 5.41 C +ATOM 275 CD LYS F 76 96.768 50.769 43.809 1.00 8.97 C +ATOM 276 CE LYS F 76 96.166 51.844 42.900 1.00 11.16 C +ATOM 277 NZ LYS F 76 97.205 52.578 42.106 1.00 13.62 N +ATOM 278 N GLY F 77 95.655 45.789 42.959 1.00 2.00 N +ATOM 279 CA GLY F 77 95.131 45.036 41.828 1.00 2.00 C +ATOM 280 C GLY F 77 93.943 44.138 42.173 1.00 2.00 C +ATOM 281 O GLY F 77 92.951 44.116 41.448 1.00 2.00 O +ATOM 282 N LEU F 78 94.034 43.418 43.287 1.00 2.00 N +ATOM 283 CA LEU F 78 92.997 42.447 43.672 1.00 2.00 C +ATOM 284 C LEU F 78 91.710 43.129 44.101 1.00 2.00 C +ATOM 285 O LEU F 78 90.613 42.663 43.787 1.00 2.00 O +ATOM 286 CB LEU F 78 93.494 41.525 44.793 1.00 2.00 C +ATOM 287 CG LEU F 78 92.548 40.431 45.320 1.00 2.00 C +ATOM 288 CD1 LEU F 78 92.271 39.388 44.250 1.00 2.00 C +ATOM 289 CD2 LEU F 78 93.136 39.767 46.568 1.00 2.00 C +ATOM 290 N GLN F 79 91.848 44.210 44.847 1.00 2.00 N +ATOM 291 CA GLN F 79 90.707 45.025 45.223 1.00 2.40 C +ATOM 292 C GLN F 79 89.930 45.476 43.985 1.00 2.14 C +ATOM 293 O GLN F 79 88.712 45.399 43.970 1.00 2.00 O +ATOM 294 CB GLN F 79 91.171 46.235 46.036 1.00 3.26 C +ATOM 295 CG GLN F 79 90.042 47.128 46.535 1.00 6.06 C +ATOM 296 CD GLN F 79 90.559 48.286 47.340 1.00 10.64 C +ATOM 297 OE1 GLN F 79 91.101 49.248 46.779 1.00 15.55 O +ATOM 298 NE2 GLN F 79 90.402 48.215 48.668 1.00 12.30 N +ATOM 299 N ALA F 80 90.634 45.928 42.949 1.00 2.11 N +ATOM 300 CA ALA F 80 89.973 46.423 41.731 1.00 2.36 C +ATOM 301 C ALA F 80 89.384 45.268 40.950 1.00 2.53 C +ATOM 302 O ALA F 80 88.286 45.378 40.424 1.00 2.80 O +ATOM 303 CB ALA F 80 90.938 47.221 40.854 1.00 2.00 C +ATOM 304 N ALA F 81 90.122 44.159 40.894 1.00 2.78 N +ATOM 305 CA ALA F 81 89.695 42.958 40.167 1.00 2.58 C +ATOM 306 C ALA F 81 88.435 42.360 40.777 1.00 2.75 C +ATOM 307 O ALA F 81 87.516 41.968 40.050 1.00 3.16 O +ATOM 308 CB ALA F 81 90.814 41.924 40.145 1.00 2.34 C +ATOM 309 N VAL F 82 88.381 42.306 42.106 1.00 2.90 N +ATOM 310 CA VAL F 82 87.172 41.850 42.797 1.00 2.87 C +ATOM 311 C VAL F 82 85.974 42.690 42.363 1.00 3.64 C +ATOM 312 O VAL F 82 84.935 42.144 42.048 1.00 3.54 O +ATOM 313 CB VAL F 82 87.353 41.795 44.341 1.00 2.91 C +ATOM 314 CG1 VAL F 82 86.017 41.617 45.049 1.00 2.00 C +ATOM 315 CG2 VAL F 82 88.305 40.617 44.724 1.00 2.00 C +ATOM 316 N GLN F 83 86.143 44.006 42.280 1.00 4.92 N +ATOM 317 CA GLN F 83 85.073 44.889 41.798 1.00 5.88 C +ATOM 318 C GLN F 83 84.671 44.559 40.353 1.00 5.67 C +ATOM 319 O GLN F 83 83.496 44.386 40.062 1.00 5.29 O +ATOM 320 CB GLN F 83 85.483 46.365 41.897 1.00 6.48 C +ATOM 321 CG GLN F 83 85.944 46.844 43.288 1.00 9.52 C +ATOM 322 CD GLN F 83 84.820 46.984 44.318 1.00 13.48 C +ATOM 323 OE1 GLN F 83 83.828 46.248 44.291 1.00 16.66 O +ATOM 324 NE2 GLN F 83 84.984 47.932 45.245 1.00 14.95 N +ATOM 325 N GLN F 84 85.655 44.473 39.463 1.00 5.80 N +ATOM 326 CA GLN F 84 85.429 44.073 38.066 1.00 6.25 C +ATOM 327 C GLN F 84 84.656 42.749 38.007 1.00 6.07 C +ATOM 328 O GLN F 84 83.741 42.602 37.208 1.00 6.27 O +ATOM 329 CB GLN F 84 86.768 43.868 37.335 1.00 6.84 C +ATOM 330 CG GLN F 84 87.011 44.678 36.041 1.00 8.74 C +ATOM 331 CD GLN F 84 85.832 44.741 35.080 1.00 9.59 C +ATOM 332 OE1 GLN F 84 85.225 45.799 34.923 1.00 10.91 O +ATOM 333 NE2 GLN F 84 85.518 43.625 34.421 1.00 9.64 N +ATOM 334 N TRP F 85 85.042 41.791 38.859 1.00 5.72 N +ATOM 335 CA TRP F 85 84.443 40.459 38.876 1.00 5.02 C +ATOM 336 C TRP F 85 83.027 40.448 39.427 1.00 5.40 C +ATOM 337 O TRP F 85 82.171 39.727 38.905 1.00 4.92 O +ATOM 338 CB TRP F 85 85.298 39.481 39.679 1.00 4.33 C +ATOM 339 CG TRP F 85 86.563 39.140 39.010 1.00 2.93 C +ATOM 340 CD1 TRP F 85 86.763 38.986 37.674 1.00 2.57 C +ATOM 341 CD2 TRP F 85 87.819 38.873 39.635 1.00 2.00 C +ATOM 342 NE1 TRP F 85 88.069 38.663 37.426 1.00 2.00 N +ATOM 343 CE2 TRP F 85 88.740 38.591 38.612 1.00 2.00 C +ATOM 344 CE3 TRP F 85 88.261 38.879 40.956 1.00 2.00 C +ATOM 345 CZ2 TRP F 85 90.073 38.292 38.866 1.00 2.00 C +ATOM 346 CZ3 TRP F 85 89.578 38.590 41.214 1.00 2.00 C +ATOM 347 CH2 TRP F 85 90.477 38.298 40.170 1.00 2.00 C +ATOM 348 N ARG F 86 82.788 41.216 40.484 1.00 5.87 N +ATOM 349 CA ARG F 86 81.429 41.389 40.994 1.00 6.97 C +ATOM 350 C ARG F 86 80.533 41.980 39.916 1.00 7.06 C +ATOM 351 O ARG F 86 79.419 41.524 39.711 1.00 7.25 O +ATOM 352 CB ARG F 86 81.399 42.301 42.216 1.00 7.22 C +ATOM 353 CG ARG F 86 81.976 41.679 43.467 1.00 8.99 C +ATOM 354 CD ARG F 86 81.341 42.279 44.706 1.00 12.02 C +ATOM 355 NE ARG F 86 81.569 41.459 45.896 1.00 14.41 N +ATOM 356 CZ ARG F 86 82.556 41.646 46.772 1.00 17.05 C +ATOM 357 NH1 ARG F 86 83.429 42.641 46.614 1.00 19.68 N +ATOM 358 NH2 ARG F 86 82.672 40.838 47.821 1.00 16.30 N +ATOM 359 N SER F 87 81.034 42.977 39.205 1.00 7.43 N +ATOM 360 CA SER F 87 80.226 43.623 38.184 1.00 8.11 C +ATOM 361 C SER F 87 80.004 42.670 37.003 1.00 8.13 C +ATOM 362 O SER F 87 78.959 42.703 36.356 1.00 8.13 O +ATOM 363 CB SER F 87 80.845 44.956 37.732 1.00 8.17 C +ATOM 364 OG SER F 87 81.661 44.789 36.587 1.00 8.97 O +ATOM 365 N GLU F 88 80.972 41.796 36.749 1.00 7.90 N +ATOM 366 CA GLU F 88 80.808 40.775 35.728 1.00 7.56 C +ATOM 367 C GLU F 88 79.772 39.708 36.135 1.00 7.07 C +ATOM 368 O GLU F 88 79.361 38.898 35.305 1.00 7.28 O +ATOM 369 CB GLU F 88 82.155 40.105 35.419 1.00 8.11 C +ATOM 370 CG GLU F 88 83.155 40.960 34.609 1.00 8.55 C +ATOM 371 CD GLU F 88 84.512 40.261 34.393 1.00 9.87 C +ATOM 372 OE1 GLU F 88 85.530 40.971 34.229 1.00 10.77 O +ATOM 373 OE2 GLU F 88 84.568 39.011 34.375 1.00 9.51 O +ATOM 374 N GLY F 89 79.361 39.692 37.403 1.00 6.02 N +ATOM 375 CA GLY F 89 78.438 38.662 37.915 1.00 5.18 C +ATOM 376 C GLY F 89 79.066 37.319 38.310 1.00 4.32 C +ATOM 377 O GLY F 89 78.382 36.301 38.382 1.00 3.86 O +ATOM 378 N ARG F 90 80.357 37.312 38.603 1.00 3.41 N +ATOM 379 CA ARG F 90 81.059 36.057 38.844 1.00 2.84 C +ATOM 380 C ARG F 90 80.716 35.439 40.193 1.00 2.02 C +ATOM 381 O ARG F 90 80.262 36.120 41.108 1.00 2.00 O +ATOM 382 CB ARG F 90 82.567 36.255 38.711 1.00 3.29 C +ATOM 383 CG ARG F 90 83.003 36.905 37.384 1.00 3.52 C +ATOM 384 CD ARG F 90 82.500 36.146 36.169 1.00 3.83 C +ATOM 385 NE ARG F 90 82.822 36.858 34.942 1.00 4.25 N +ATOM 386 CZ ARG F 90 82.313 36.595 33.745 1.00 3.65 C +ATOM 387 NH1 ARG F 90 81.451 35.601 33.576 1.00 4.29 N +ATOM 388 NH2 ARG F 90 82.686 37.333 32.704 1.00 4.13 N +ATOM 389 N THR F 91 80.953 34.135 40.296 1.00 2.00 N +ATOM 390 CA THR F 91 80.546 33.336 41.445 1.00 2.00 C +ATOM 391 C THR F 91 81.549 33.365 42.588 1.00 2.00 C +ATOM 392 O THR F 91 81.171 33.473 43.752 1.00 2.00 O +ATOM 393 CB THR F 91 80.380 31.877 41.027 1.00 2.00 C +ATOM 394 OG1 THR F 91 79.414 31.802 39.979 1.00 2.08 O +ATOM 395 CG2 THR F 91 79.918 31.001 42.204 1.00 2.00 C +ATOM 396 N ALA F 92 82.821 33.227 42.244 1.00 2.00 N +ATOM 397 CA ALA F 92 83.870 33.046 43.234 1.00 2.00 C +ATOM 398 C ALA F 92 85.238 33.338 42.634 1.00 2.00 C +ATOM 399 O ALA F 92 85.390 33.386 41.414 1.00 2.00 O +ATOM 400 CB ALA F 92 83.827 31.624 43.788 1.00 2.00 C +ATOM 401 N VAL F 93 86.218 33.553 43.504 1.00 2.00 N +ATOM 402 CA VAL F 93 87.602 33.731 43.085 1.00 2.00 C +ATOM 403 C VAL F 93 88.478 32.709 43.803 1.00 2.00 C +ATOM 404 O VAL F 93 88.317 32.484 44.994 1.00 2.00 O +ATOM 405 CB VAL F 93 88.136 35.157 43.386 1.00 2.00 C +ATOM 406 CG1 VAL F 93 89.536 35.332 42.807 1.00 2.00 C +ATOM 407 CG2 VAL F 93 87.200 36.216 42.835 1.00 2.00 C +ATOM 408 N TRP F 94 89.380 32.080 43.055 1.00 2.00 N +ATOM 409 CA TRP F 94 90.410 31.207 43.604 1.00 2.00 C +ATOM 410 C TRP F 94 91.778 31.797 43.248 1.00 2.00 C +ATOM 411 O TRP F 94 92.038 32.118 42.092 1.00 2.00 O +ATOM 412 CB TRP F 94 90.263 29.793 43.049 1.00 2.00 C +ATOM 413 CG TRP F 94 88.832 29.371 42.938 1.00 2.00 C +ATOM 414 CD1 TRP F 94 88.016 29.531 41.856 1.00 2.00 C +ATOM 415 CD2 TRP F 94 88.041 28.759 43.944 1.00 2.00 C +ATOM 416 NE1 TRP F 94 86.765 29.068 42.132 1.00 2.00 N +ATOM 417 CE2 TRP F 94 86.752 28.584 43.411 1.00 2.00 C +ATOM 418 CE3 TRP F 94 88.293 28.344 45.251 1.00 2.00 C +ATOM 419 CZ2 TRP F 94 85.720 28.010 44.129 1.00 2.58 C +ATOM 420 CZ3 TRP F 94 87.255 27.772 45.980 1.00 3.08 C +ATOM 421 CH2 TRP F 94 85.987 27.606 45.417 1.00 4.00 C +ATOM 422 N LEU F 95 92.640 31.954 44.245 1.00 2.00 N +ATOM 423 CA LEU F 95 93.979 32.467 44.036 1.00 2.00 C +ATOM 424 C LEU F 95 94.966 31.378 44.364 1.00 2.00 C +ATOM 425 O LEU F 95 95.006 30.926 45.490 1.00 2.00 O +ATOM 426 CB LEU F 95 94.267 33.663 44.954 1.00 2.00 C +ATOM 427 CG LEU F 95 93.342 34.876 45.018 1.00 2.00 C +ATOM 428 CD1 LEU F 95 93.941 35.900 46.000 1.00 2.00 C +ATOM 429 CD2 LEU F 95 93.078 35.547 43.647 1.00 2.00 C +ATOM 430 N HIS F 96 95.770 30.972 43.392 1.00 2.00 N +ATOM 431 CA HIS F 96 96.787 29.955 43.609 1.00 2.00 C +ATOM 432 C HIS F 96 98.132 30.638 43.821 1.00 2.00 C +ATOM 433 O HIS F 96 98.593 31.398 42.975 1.00 2.00 O +ATOM 434 CB HIS F 96 96.831 28.983 42.437 1.00 2.00 C +ATOM 435 CG HIS F 96 95.530 28.300 42.190 1.00 2.00 C +ATOM 436 ND1 HIS F 96 95.039 27.313 43.017 1.00 2.00 N +ATOM 437 CD2 HIS F 96 94.606 28.466 41.217 1.00 2.00 C +ATOM 438 CE1 HIS F 96 93.867 26.899 42.562 1.00 2.00 C +ATOM 439 NE2 HIS F 96 93.582 27.583 41.468 1.00 2.00 N +ATOM 440 N ILE F 97 98.731 30.376 44.981 1.00 2.00 N +ATOM 441 CA ILE F 97 99.884 31.109 45.460 1.00 2.00 C +ATOM 442 C ILE F 97 101.004 30.141 45.862 1.00 2.00 C +ATOM 443 O ILE F 97 100.909 29.441 46.871 1.00 2.00 O +ATOM 444 CB ILE F 97 99.520 32.022 46.673 1.00 2.00 C +ATOM 445 CG1 ILE F 97 98.370 32.973 46.327 1.00 2.00 C +ATOM 446 CG2 ILE F 97 100.752 32.820 47.137 1.00 2.00 C +ATOM 447 CD1 ILE F 97 97.783 33.712 47.526 1.00 2.00 C +ATOM 448 N PRO F 98 102.075 30.099 45.067 1.00 2.00 N +ATOM 449 CA PRO F 98 103.267 29.359 45.469 1.00 2.00 C +ATOM 450 C PRO F 98 103.743 29.809 46.848 1.00 2.00 C +ATOM 451 O PRO F 98 103.631 30.994 47.195 1.00 2.00 O +ATOM 452 CB PRO F 98 104.300 29.747 44.396 1.00 2.00 C +ATOM 453 CG PRO F 98 103.495 30.096 43.203 1.00 2.00 C +ATOM 454 CD PRO F 98 102.248 30.753 43.755 1.00 2.00 C +ATOM 455 N ILE F 99 104.257 28.865 47.625 1.00 2.00 N +ATOM 456 CA ILE F 99 104.601 29.135 49.012 1.00 2.00 C +ATOM 457 C ILE F 99 105.576 30.316 49.163 1.00 2.00 C +ATOM 458 O ILE F 99 105.413 31.146 50.064 1.00 2.00 O +ATOM 459 CB ILE F 99 105.148 27.867 49.722 1.00 2.00 C +ATOM 460 CG1 ILE F 99 105.144 28.069 51.239 1.00 2.00 C +ATOM 461 CG2 ILE F 99 106.539 27.457 49.173 1.00 2.00 C +ATOM 462 CD1 ILE F 99 105.176 26.750 52.022 1.00 2.00 C +ATOM 463 N LEU F 100 106.558 30.418 48.269 1.00 2.00 N +ATOM 464 CA LEU F 100 107.539 31.516 48.362 1.00 2.00 C +ATOM 465 C LEU F 100 106.948 32.886 48.037 1.00 2.00 C +ATOM 466 O LEU F 100 107.574 33.917 48.287 1.00 2.00 O +ATOM 467 CB LEU F 100 108.741 31.251 47.465 1.00 2.00 C +ATOM 468 CG LEU F 100 109.670 30.149 47.983 1.00 2.00 C +ATOM 469 CD1 LEU F 100 110.790 29.863 46.960 1.00 2.00 C +ATOM 470 CD2 LEU F 100 110.240 30.576 49.334 1.00 2.00 C +ATOM 471 N GLN F 101 105.746 32.895 47.488 1.00 2.00 N +ATOM 472 CA GLN F 101 105.025 34.126 47.248 1.00 2.00 C +ATOM 473 C GLN F 101 103.895 34.340 48.244 1.00 2.00 C +ATOM 474 O GLN F 101 102.940 35.050 47.967 1.00 2.00 O +ATOM 475 CB GLN F 101 104.516 34.139 45.818 1.00 2.00 C +ATOM 476 CG GLN F 101 105.627 34.471 44.837 1.00 2.00 C +ATOM 477 CD GLN F 101 105.228 34.224 43.412 1.00 2.00 C +ATOM 478 OE1 GLN F 101 104.828 33.122 43.067 1.00 3.46 O +ATOM 479 NE2 GLN F 101 105.320 35.247 42.576 1.00 2.00 N +ATOM 480 N SER F 102 104.032 33.795 49.442 1.00 2.00 N +ATOM 481 CA SER F 102 102.945 33.890 50.410 1.00 2.00 C +ATOM 482 C SER F 102 102.745 35.296 50.967 1.00 2.00 C +ATOM 483 O SER F 102 101.767 35.540 51.660 1.00 2.00 O +ATOM 484 CB SER F 102 103.116 32.864 51.526 1.00 2.00 C +ATOM 485 OG SER F 102 102.987 31.557 51.011 1.00 2.00 O +ATOM 486 N ARG F 103 103.630 36.233 50.627 1.00 2.00 N +ATOM 487 CA ARG F 103 103.414 37.647 50.976 1.00 2.00 C +ATOM 488 C ARG F 103 102.078 38.173 50.468 1.00 2.00 C +ATOM 489 O ARG F 103 101.567 39.146 50.985 1.00 2.00 O +ATOM 490 CB ARG F 103 104.544 38.535 50.436 1.00 2.00 C +ATOM 491 CG ARG F 103 104.607 38.648 48.923 1.00 2.00 C +ATOM 492 CD ARG F 103 105.869 39.381 48.482 1.00 2.00 C +ATOM 493 NE ARG F 103 106.025 39.443 47.027 1.00 2.00 N +ATOM 494 CZ ARG F 103 106.650 38.534 46.285 1.00 2.00 C +ATOM 495 NH1 ARG F 103 107.195 37.451 46.830 1.00 2.00 N +ATOM 496 NH2 ARG F 103 106.741 38.707 44.978 1.00 2.00 N +ATOM 497 N PHE F 104 101.521 37.524 49.454 1.00 2.00 N +ATOM 498 CA PHE F 104 100.243 37.941 48.877 1.00 2.00 C +ATOM 499 C PHE F 104 99.021 37.492 49.674 1.00 2.00 C +ATOM 500 O PHE F 104 97.913 37.930 49.384 1.00 2.00 O +ATOM 501 CB PHE F 104 100.106 37.435 47.425 1.00 2.00 C +ATOM 502 CG PHE F 104 101.199 37.907 46.500 1.00 2.00 C +ATOM 503 CD1 PHE F 104 101.519 39.257 46.410 1.00 2.00 C +ATOM 504 CD2 PHE F 104 101.903 37.007 45.716 1.00 2.00 C +ATOM 505 CE1 PHE F 104 102.521 39.701 45.558 1.00 2.00 C +ATOM 506 CE2 PHE F 104 102.921 37.440 44.871 1.00 2.00 C +ATOM 507 CZ PHE F 104 103.229 38.787 44.787 1.00 2.00 C +ATOM 508 N ILE F 105 99.199 36.616 50.665 1.00 2.00 N +ATOM 509 CA ILE F 105 98.036 36.040 51.366 1.00 2.00 C +ATOM 510 C ILE F 105 97.343 37.013 52.329 1.00 2.00 C +ATOM 511 O ILE F 105 96.135 37.213 52.238 1.00 2.00 O +ATOM 512 CB ILE F 105 98.398 34.738 52.108 1.00 2.00 C +ATOM 513 CG1 ILE F 105 98.778 33.646 51.097 1.00 2.00 C +ATOM 514 CG2 ILE F 105 97.240 34.297 52.985 1.00 2.00 C +ATOM 515 CD1 ILE F 105 99.519 32.475 51.696 1.00 2.00 C +ATOM 516 N ALA F 106 98.084 37.604 53.257 1.00 2.00 N +ATOM 517 CA ALA F 106 97.458 38.518 54.219 1.00 2.00 C +ATOM 518 C ALA F 106 96.707 39.657 53.512 1.00 2.00 C +ATOM 519 O ALA F 106 95.547 39.933 53.844 1.00 2.00 O +ATOM 520 CB ALA F 106 98.474 39.053 55.206 1.00 2.00 C +ATOM 521 N PRO F 107 97.335 40.285 52.509 1.00 2.00 N +ATOM 522 CA PRO F 107 96.616 41.282 51.724 1.00 2.00 C +ATOM 523 C PRO F 107 95.298 40.770 51.170 1.00 2.00 C +ATOM 524 O PRO F 107 94.276 41.436 51.326 1.00 2.00 O +ATOM 525 CB PRO F 107 97.594 41.596 50.596 1.00 2.00 C +ATOM 526 CG PRO F 107 98.911 41.470 51.235 1.00 2.00 C +ATOM 527 CD PRO F 107 98.768 40.268 52.160 1.00 2.00 C +ATOM 528 N ALA F 108 95.313 39.597 50.546 1.00 2.00 N +ATOM 529 CA ALA F 108 94.068 38.975 50.081 1.00 2.00 C +ATOM 530 C ALA F 108 93.095 38.751 51.234 1.00 2.00 C +ATOM 531 O ALA F 108 91.889 38.928 51.087 1.00 2.00 O +ATOM 532 CB ALA F 108 94.355 37.652 49.374 1.00 2.00 C +ATOM 533 N ALA F 109 93.623 38.351 52.385 1.00 2.00 N +ATOM 534 CA ALA F 109 92.783 38.071 53.544 1.00 2.00 C +ATOM 535 C ALA F 109 92.049 39.317 54.036 1.00 2.00 C +ATOM 536 O ALA F 109 90.893 39.216 54.419 1.00 2.00 O +ATOM 537 CB ALA F 109 93.588 37.436 54.664 1.00 2.00 C +ATOM 538 N SER F 110 92.697 40.479 54.013 1.00 2.53 N +ATOM 539 CA ASER F 110 92.029 41.742 54.362 0.50 3.10 C +ATOM 540 CA BSER F 110 92.019 41.731 54.377 0.50 3.12 C +ATOM 541 C SER F 110 90.812 41.951 53.477 1.00 3.42 C +ATOM 542 O SER F 110 89.749 42.369 53.941 1.00 4.36 O +ATOM 543 CB ASER F 110 92.972 42.929 54.186 0.50 3.09 C +ATOM 544 CB BSER F 110 92.959 42.929 54.268 0.50 3.10 C +ATOM 545 OG ASER F 110 94.101 42.815 55.034 0.50 3.53 O +ATOM 546 OG BSER F 110 93.352 43.156 52.924 0.50 3.68 O +ATOM 547 N LEU F 111 90.975 41.651 52.194 1.00 3.44 N +ATOM 548 CA LEU F 111 89.892 41.811 51.237 1.00 3.00 C +ATOM 549 C LEU F 111 88.870 40.680 51.322 1.00 2.50 C +ATOM 550 O LEU F 111 88.030 40.567 50.448 1.00 2.76 O +ATOM 551 CB LEU F 111 90.451 41.898 49.813 1.00 2.88 C +ATOM 552 CG LEU F 111 91.429 43.034 49.518 1.00 2.94 C +ATOM 553 CD1 LEU F 111 91.964 42.917 48.098 1.00 2.18 C +ATOM 554 CD2 LEU F 111 90.764 44.383 49.694 1.00 3.59 C +ATOM 555 N GLY F 112 88.952 39.837 52.350 1.00 2.08 N +ATOM 556 CA GLY F 112 87.968 38.751 52.582 1.00 2.00 C +ATOM 557 C GLY F 112 88.292 37.339 52.084 1.00 2.00 C +ATOM 558 O GLY F 112 87.472 36.429 52.211 1.00 2.00 O +ATOM 559 N PHE F 113 89.466 37.124 51.507 1.00 2.00 N +ATOM 560 CA PHE F 113 89.847 35.773 51.090 1.00 2.00 C +ATOM 561 C PHE F 113 90.164 34.887 52.294 1.00 2.00 C +ATOM 562 O PHE F 113 90.584 35.377 53.344 1.00 2.00 O +ATOM 563 CB PHE F 113 91.053 35.808 50.151 1.00 2.00 C +ATOM 564 CG PHE F 113 90.702 36.195 48.739 1.00 2.00 C +ATOM 565 CD1 PHE F 113 90.515 37.522 48.391 1.00 2.00 C +ATOM 566 CD2 PHE F 113 90.544 35.224 47.771 1.00 2.00 C +ATOM 567 CE1 PHE F 113 90.182 37.864 47.099 1.00 2.00 C +ATOM 568 CE2 PHE F 113 90.207 35.557 46.487 1.00 2.00 C +ATOM 569 CZ PHE F 113 90.025 36.884 46.140 1.00 2.00 C +ATOM 570 N CYS F 114 89.949 33.585 52.126 1.00 2.00 N +ATOM 571 CA ACYS F 114 90.417 32.662 53.137 0.50 2.00 C +ATOM 572 CA BCYS F 114 90.187 32.540 53.122 0.50 2.00 C +ATOM 573 C CYS F 114 90.977 31.408 52.490 1.00 2.00 C +ATOM 574 O CYS F 114 90.932 31.249 51.274 1.00 2.00 O +ATOM 575 CB ACYS F 114 89.316 32.352 54.147 0.50 2.00 C +ATOM 576 CB BCYS F 114 88.854 31.912 53.551 0.50 2.00 C +ATOM 577 SG ACYS F 114 87.980 31.416 53.473 0.50 2.00 S +ATOM 578 SG BCYS F 114 87.886 32.818 54.737 0.50 2.00 S +ATOM 579 N PHE F 115 91.595 30.562 53.305 1.00 2.00 N +ATOM 580 CA PHE F 115 92.251 29.387 52.755 1.00 2.00 C +ATOM 581 C PHE F 115 91.193 28.412 52.276 1.00 2.00 C +ATOM 582 O PHE F 115 90.214 28.168 52.958 1.00 2.00 O +ATOM 583 CB PHE F 115 93.130 28.685 53.794 1.00 2.00 C +ATOM 584 CG PHE F 115 94.472 29.317 53.994 1.00 2.00 C +ATOM 585 CD1 PHE F 115 95.435 29.254 53.006 1.00 2.00 C +ATOM 586 CD2 PHE F 115 94.778 29.942 55.183 1.00 2.00 C +ATOM 587 CE1 PHE F 115 96.672 29.806 53.197 1.00 2.00 C +ATOM 588 CE2 PHE F 115 96.022 30.502 55.387 1.00 2.00 C +ATOM 589 CZ PHE F 115 96.968 30.442 54.396 1.00 2.00 C +ATOM 590 N HIS F 116 91.406 27.869 51.093 1.00 2.00 N +ATOM 591 CA HIS F 116 90.639 26.751 50.607 1.00 2.00 C +ATOM 592 C HIS F 116 91.449 25.460 50.813 1.00 2.00 C +ATOM 593 O HIS F 116 90.901 24.417 51.166 1.00 2.00 O +ATOM 594 CB HIS F 116 90.313 26.961 49.132 1.00 2.00 C +ATOM 595 CG HIS F 116 89.642 25.792 48.494 1.00 2.00 C +ATOM 596 ND1 HIS F 116 88.372 25.385 48.839 1.00 2.08 N +ATOM 597 CD2 HIS F 116 90.067 24.936 47.534 1.00 3.25 C +ATOM 598 CE1 HIS F 116 88.043 24.328 48.115 1.00 3.65 C +ATOM 599 NE2 HIS F 116 89.055 24.034 47.317 1.00 2.79 N +ATOM 600 N HIS F 117 92.753 25.541 50.584 1.00 2.00 N +ATOM 601 CA HIS F 117 93.638 24.395 50.715 1.00 2.17 C +ATOM 602 C HIS F 117 95.081 24.890 50.761 1.00 2.00 C +ATOM 603 O HIS F 117 95.417 25.865 50.100 1.00 2.00 O +ATOM 604 CB HIS F 117 93.466 23.468 49.517 1.00 2.59 C +ATOM 605 CG HIS F 117 93.985 22.091 49.747 1.00 4.44 C +ATOM 606 ND1 HIS F 117 95.094 21.595 49.092 1.00 6.43 N +ATOM 607 CD2 HIS F 117 93.544 21.098 50.557 1.00 6.65 C +ATOM 608 CE1 HIS F 117 95.315 20.354 49.495 1.00 7.31 C +ATOM 609 NE2 HIS F 117 94.391 20.030 50.386 1.00 7.35 N +ATOM 610 N ALA F 118 95.912 24.237 51.560 1.00 2.00 N +ATOM 611 CA ALA F 118 97.342 24.503 51.562 1.00 2.00 C +ATOM 612 C ALA F 118 98.046 23.197 51.759 1.00 2.00 C +ATOM 613 O ALA F 118 97.811 22.494 52.740 1.00 2.00 O +ATOM 614 CB ALA F 118 97.733 25.473 52.656 1.00 2.00 C +ATOM 615 N GLU F 119 98.909 22.863 50.824 1.00 2.00 N +ATOM 616 CA GLU F 119 99.640 21.629 50.915 1.00 2.38 C +ATOM 617 C GLU F 119 100.965 21.764 50.230 1.00 2.00 C +ATOM 618 O GLU F 119 101.038 22.217 49.108 1.00 2.00 O +ATOM 619 CB GLU F 119 98.851 20.478 50.291 1.00 2.95 C +ATOM 620 CG GLU F 119 99.561 19.131 50.450 1.00 5.72 C +ATOM 621 CD GLU F 119 98.626 17.954 50.318 1.00 9.34 C +ATOM 622 OE1 GLU F 119 97.877 17.889 49.313 1.00 12.45 O +ATOM 623 OE2 GLU F 119 98.654 17.088 51.216 1.00 12.45 O +ATOM 624 N SER F 120 102.015 21.371 50.929 1.00 2.00 N +ATOM 625 CA SER F 120 103.321 21.245 50.337 1.00 2.00 C +ATOM 626 C SER F 120 103.851 22.642 49.956 1.00 2.00 C +ATOM 627 O SER F 120 104.172 23.432 50.836 1.00 2.00 O +ATOM 628 CB SER F 120 103.240 20.256 49.158 1.00 2.00 C +ATOM 629 OG SER F 120 104.530 19.849 48.745 1.00 3.72 O +ATOM 630 N ASP F 121 103.918 22.964 48.668 1.00 2.00 N +ATOM 631 CA ASP F 121 104.584 24.197 48.221 1.00 2.00 C +ATOM 632 C ASP F 121 103.641 25.226 47.600 1.00 2.00 C +ATOM 633 O ASP F 121 104.088 26.138 46.903 1.00 2.00 O +ATOM 634 CB ASP F 121 105.690 23.865 47.226 1.00 2.00 C +ATOM 635 CG ASP F 121 105.158 23.223 45.949 1.00 2.16 C +ATOM 636 OD1 ASP F 121 103.970 22.823 45.910 1.00 4.86 O +ATOM 637 OD2 ASP F 121 105.937 23.113 44.978 1.00 6.83 O +ATOM 638 N SER F 122 102.344 25.083 47.831 1.00 2.00 N +ATOM 639 CA SER F 122 101.423 26.152 47.484 1.00 2.00 C +ATOM 640 C SER F 122 100.133 26.085 48.256 1.00 2.00 C +ATOM 641 O SER F 122 99.845 25.097 48.913 1.00 2.00 O +ATOM 642 CB SER F 122 101.120 26.174 45.990 1.00 2.00 C +ATOM 643 OG SER F 122 100.331 25.075 45.640 1.00 2.00 O +ATOM 644 N SER F 123 99.381 27.174 48.179 1.00 2.00 N +ATOM 645 CA SER F 123 98.097 27.281 48.835 1.00 2.00 C +ATOM 646 C SER F 123 97.125 27.874 47.842 1.00 2.00 C +ATOM 647 O SER F 123 97.524 28.474 46.839 1.00 2.00 O +ATOM 648 CB SER F 123 98.194 28.160 50.093 1.00 2.00 C +ATOM 649 OG SER F 123 98.548 29.510 49.782 1.00 2.00 O +ATOM 650 N THR F 124 95.848 27.679 48.123 1.00 2.00 N +ATOM 651 CA THR F 124 94.775 28.239 47.319 1.00 2.00 C +ATOM 652 C THR F 124 93.870 29.003 48.254 1.00 2.00 C +ATOM 653 O THR F 124 93.436 28.474 49.264 1.00 2.00 O +ATOM 654 CB THR F 124 93.962 27.131 46.612 1.00 2.00 C +ATOM 655 OG1 THR F 124 94.816 26.425 45.704 1.00 2.00 O +ATOM 656 CG2 THR F 124 92.761 27.729 45.837 1.00 2.00 C +ATOM 657 N LEU F 125 93.618 30.263 47.929 1.00 2.00 N +ATOM 658 CA LEU F 125 92.674 31.065 48.691 1.00 2.00 C +ATOM 659 C LEU F 125 91.386 31.194 47.915 1.00 2.00 C +ATOM 660 O LEU F 125 91.372 31.025 46.702 1.00 2.00 O +ATOM 661 CB LEU F 125 93.225 32.459 48.965 1.00 2.00 C +ATOM 662 CG LEU F 125 94.639 32.582 49.529 1.00 2.00 C +ATOM 663 CD1 LEU F 125 94.900 34.054 49.881 1.00 2.00 C +ATOM 664 CD2 LEU F 125 94.841 31.690 50.719 1.00 2.00 C +ATOM 665 N THR F 126 90.307 31.525 48.608 1.00 2.00 N +ATOM 666 CA THR F 126 89.024 31.671 47.953 1.00 2.00 C +ATOM 667 C THR F 126 88.187 32.792 48.531 1.00 2.00 C +ATOM 668 O THR F 126 88.257 33.077 49.724 1.00 2.00 O +ATOM 669 CB THR F 126 88.220 30.355 47.986 1.00 2.00 C +ATOM 670 OG1 THR F 126 87.055 30.509 47.179 1.00 2.00 O +ATOM 671 CG2 THR F 126 87.822 29.939 49.416 1.00 2.00 C +ATOM 672 N LEU F 127 87.422 33.437 47.652 1.00 2.00 N +ATOM 673 CA LEU F 127 86.433 34.439 48.016 1.00 2.00 C +ATOM 674 C LEU F 127 85.132 34.094 47.310 1.00 2.00 C +ATOM 675 O LEU F 127 85.068 34.088 46.085 1.00 2.00 O +ATOM 676 CB LEU F 127 86.891 35.845 47.586 1.00 2.00 C +ATOM 677 CG LEU F 127 85.901 36.998 47.864 1.00 2.00 C +ATOM 678 CD1 LEU F 127 85.568 37.045 49.356 1.00 2.00 C +ATOM 679 CD2 LEU F 127 86.400 38.385 47.372 1.00 2.00 C +ATOM 680 N TRP F 128 84.089 33.823 48.078 1.00 2.00 N +ATOM 681 CA TRP F 128 82.783 33.569 47.487 1.00 2.00 C +ATOM 682 C TRP F 128 82.087 34.909 47.228 1.00 2.00 C +ATOM 683 O TRP F 128 82.063 35.758 48.103 1.00 2.00 O +ATOM 684 CB TRP F 128 81.969 32.696 48.413 1.00 2.00 C +ATOM 685 CG TRP F 128 80.694 32.201 47.823 1.00 2.00 C +ATOM 686 CD1 TRP F 128 79.451 32.670 48.071 1.00 2.00 C +ATOM 687 CD2 TRP F 128 80.546 31.130 46.895 1.00 2.00 C +ATOM 688 NE1 TRP F 128 78.524 31.954 47.356 1.00 2.00 N +ATOM 689 CE2 TRP F 128 79.173 31.002 46.622 1.00 2.00 C +ATOM 690 CE3 TRP F 128 81.441 30.266 46.263 1.00 2.00 C +ATOM 691 CZ2 TRP F 128 78.670 30.038 45.749 1.00 2.00 C +ATOM 692 CZ3 TRP F 128 80.938 29.307 45.393 1.00 2.00 C +ATOM 693 CH2 TRP F 128 79.569 29.199 45.150 1.00 2.00 C +ATOM 694 N LEU F 129 81.538 35.090 46.030 1.00 3.51 N +ATOM 695 CA LEU F 129 80.939 36.377 45.617 1.00 5.33 C +ATOM 696 C LEU F 129 79.411 36.370 45.502 1.00 7.47 C +ATOM 697 O LEU F 129 78.770 37.393 45.721 1.00 7.40 O +ATOM 698 CB LEU F 129 81.521 36.822 44.280 1.00 4.92 C +ATOM 699 CG LEU F 129 83.033 37.027 44.201 1.00 4.60 C +ATOM 700 CD1 LEU F 129 83.447 37.293 42.766 1.00 4.10 C +ATOM 701 CD2 LEU F 129 83.487 38.154 45.099 1.00 3.09 C +ATOM 702 N ARG F 130 78.836 35.228 45.139 1.00 10.43 N +ATOM 703 CA ARG F 130 77.384 35.102 44.932 1.00 13.02 C +ATOM 704 C ARG F 130 76.590 35.335 46.230 1.00 14.37 C +ATOM 705 O ARG F 130 77.101 35.110 47.326 1.00 14.45 O +ATOM 706 CB ARG F 130 77.059 33.720 44.352 1.00 13.50 C +ATOM 707 CG ARG F 130 75.784 33.661 43.525 1.00 16.25 C +ATOM 708 CD ARG F 130 75.090 32.300 43.660 1.00 20.36 C +ATOM 709 NE ARG F 130 75.669 31.277 42.782 1.00 23.49 N +ATOM 710 CZ ARG F 130 75.511 29.963 42.940 1.00 25.95 C +ATOM 711 NH1 ARG F 130 74.803 29.490 43.966 1.00 26.71 N +ATOM 712 NH2 ARG F 130 76.076 29.111 42.081 1.00 26.69 N +ATOM 713 N GLU F 131 75.339 35.781 46.097 1.00 16.39 N +ATOM 714 CA GLU F 131 74.506 36.164 47.261 1.00 17.69 C +ATOM 715 C GLU F 131 73.557 35.094 47.806 1.00 17.80 C +ATOM 716 O GLU F 131 73.459 33.995 47.269 1.00 18.31 O +ATOM 717 CB GLU F 131 73.706 37.439 46.948 1.00 18.34 C +ATOM 718 CG GLU F 131 74.529 38.738 47.050 1.00 20.55 C +ATOM 719 CD GLU F 131 75.250 38.901 48.402 1.00 23.52 C +ATOM 720 OE1 GLU F 131 75.009 38.087 49.333 1.00 25.81 O +ATOM 721 OE2 GLU F 131 76.062 39.847 48.533 1.00 24.54 O Added: SwiftApps/modFTdock/input/3fxt-5.pdb =================================================================== --- SwiftApps/modFTdock/input/3fxt-5.pdb (rev 0) +++ SwiftApps/modFTdock/input/3fxt-5.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,719 @@ +ATOM 1 N GLN C 42 67.474 38.644 30.823 1.00 26.26 N +ATOM 2 CA GLN C 42 67.484 38.202 29.393 1.00 26.17 C +ATOM 3 C GLN C 42 66.724 39.187 28.483 1.00 25.33 C +ATOM 4 O GLN C 42 66.962 39.215 27.273 1.00 25.85 O +ATOM 5 CB GLN C 42 66.928 36.765 29.254 1.00 26.53 C +ATOM 6 CG GLN C 42 65.385 36.629 29.310 1.00 27.73 C +ATOM 7 CD GLN C 42 64.770 37.145 30.611 1.00 28.76 C +ATOM 8 OE1 GLN C 42 65.361 37.024 31.686 1.00 29.46 O +ATOM 9 NE2 GLN C 42 63.574 37.722 30.513 1.00 29.63 N +ATOM 10 N SER C 43 65.828 39.994 29.057 1.00 23.90 N +ATOM 11 CA SER C 43 65.079 40.982 28.276 1.00 22.82 C +ATOM 12 C SER C 43 65.654 42.396 28.449 1.00 21.37 C +ATOM 13 O SER C 43 65.810 42.884 29.573 1.00 21.81 O +ATOM 14 CB SER C 43 63.593 40.968 28.649 1.00 22.92 C +ATOM 15 OG SER C 43 62.859 41.773 27.729 1.00 23.57 O +ATOM 16 N MET C 44 65.948 43.057 27.333 1.00 19.01 N +ATOM 17 CA MET C 44 66.678 44.318 27.372 1.00 17.17 C +ATOM 18 C MET C 44 65.807 45.488 27.842 1.00 15.74 C +ATOM 19 O MET C 44 64.727 45.736 27.301 1.00 14.98 O +ATOM 20 CB MET C 44 67.263 44.632 25.996 1.00 16.97 C +ATOM 21 CG MET C 44 68.232 45.808 25.983 1.00 16.23 C +ATOM 22 SD MET C 44 68.828 46.210 24.333 1.00 15.11 S +ATOM 23 CE MET C 44 69.529 44.631 23.858 1.00 14.13 C +ATOM 24 N ASP C 45 66.302 46.210 28.838 1.00 13.90 N +ATOM 25 CA ASP C 45 65.624 47.393 29.346 1.00 12.98 C +ATOM 26 C ASP C 45 66.029 48.630 28.532 1.00 11.51 C +ATOM 27 O ASP C 45 67.163 49.078 28.590 1.00 11.29 O +ATOM 28 CB ASP C 45 65.942 47.580 30.831 1.00 13.09 C +ATOM 29 CG ASP C 45 65.361 48.879 31.420 1.00 14.63 C +ATOM 30 OD1 ASP C 45 64.564 49.587 30.747 1.00 15.37 O +ATOM 31 OD2 ASP C 45 65.712 49.182 32.586 1.00 16.15 O +ATOM 32 N LEU C 46 65.087 49.178 27.776 1.00 9.79 N +ATOM 33 CA LEU C 46 65.342 50.372 26.962 1.00 8.55 C +ATOM 34 C LEU C 46 65.227 51.693 27.750 1.00 7.51 C +ATOM 35 O LEU C 46 65.519 52.757 27.211 1.00 7.29 O +ATOM 36 CB LEU C 46 64.409 50.396 25.739 1.00 8.15 C +ATOM 37 CG LEU C 46 64.904 49.636 24.505 1.00 8.31 C +ATOM 38 CD1 LEU C 46 65.109 48.158 24.806 1.00 6.99 C +ATOM 39 CD2 LEU C 46 63.945 49.830 23.339 1.00 5.73 C +ATOM 40 N GLN C 47 64.814 51.619 29.012 1.00 6.63 N +ATOM 41 CA GLN C 47 64.759 52.789 29.887 1.00 6.33 C +ATOM 42 C GLN C 47 63.831 53.838 29.304 1.00 5.49 C +ATOM 43 O GLN C 47 64.225 54.987 29.125 1.00 5.59 O +ATOM 44 CB GLN C 47 66.151 53.399 30.089 1.00 6.71 C +ATOM 45 CG GLN C 47 67.202 52.437 30.620 1.00 8.39 C +ATOM 46 CD GLN C 47 68.534 53.125 30.944 1.00 10.91 C +ATOM 47 OE1 GLN C 47 68.631 54.352 30.936 1.00 14.27 O +ATOM 48 NE2 GLN C 47 69.556 52.330 31.240 1.00 10.39 N +ATOM 49 N GLY C 48 62.610 53.423 28.987 1.00 4.56 N +ATOM 50 CA GLY C 48 61.615 54.308 28.391 1.00 3.95 C +ATOM 51 C GLY C 48 61.058 55.286 29.412 1.00 3.21 C +ATOM 52 O GLY C 48 60.737 54.892 30.525 1.00 2.82 O +ATOM 53 N GLU C 49 60.983 56.563 29.038 1.00 2.53 N +ATOM 54 CA GLU C 49 60.396 57.589 29.884 1.00 2.02 C +ATOM 55 C GLU C 49 58.971 57.877 29.402 1.00 2.00 C +ATOM 56 O GLU C 49 58.750 58.173 28.221 1.00 2.00 O +ATOM 57 CB GLU C 49 61.219 58.871 29.862 1.00 2.00 C +ATOM 58 CG GLU C 49 60.665 59.989 30.761 1.00 2.63 C +ATOM 59 CD GLU C 49 61.538 61.244 30.762 1.00 4.55 C +ATOM 60 OE1 GLU C 49 61.372 62.117 31.646 1.00 4.71 O +ATOM 61 OE2 GLU C 49 62.392 61.366 29.869 1.00 5.76 O +ATOM 62 N LEU C 50 58.024 57.810 30.336 1.00 2.00 N +ATOM 63 CA LEU C 50 56.602 57.959 30.035 1.00 2.05 C +ATOM 64 C LEU C 50 56.217 59.445 30.113 1.00 2.00 C +ATOM 65 O LEU C 50 56.571 60.127 31.067 1.00 2.00 O +ATOM 66 CB LEU C 50 55.793 57.084 31.007 1.00 2.00 C +ATOM 67 CG LEU C 50 54.271 57.080 30.972 1.00 5.08 C +ATOM 68 CD1 LEU C 50 53.708 56.786 29.569 1.00 5.97 C +ATOM 69 CD2 LEU C 50 53.739 56.065 32.018 1.00 5.80 C +ATOM 70 N ASP C 51 55.549 59.958 29.082 1.00 2.00 N +ATOM 71 CA ASP C 51 55.106 61.363 29.085 1.00 2.07 C +ATOM 72 C ASP C 51 53.615 61.481 29.403 1.00 2.83 C +ATOM 73 O ASP C 51 52.904 60.476 29.453 1.00 2.54 O +ATOM 74 CB ASP C 51 55.478 62.098 27.776 1.00 2.00 C +ATOM 75 CG ASP C 51 54.796 61.519 26.535 1.00 2.00 C +ATOM 76 OD1 ASP C 51 53.604 61.147 26.570 1.00 2.00 O +ATOM 77 OD2 ASP C 51 55.468 61.458 25.494 1.00 4.15 O +ATOM 78 N ARG C 52 53.151 62.714 29.604 1.00 3.84 N +ATOM 79 CA ARG C 52 51.750 62.976 29.949 1.00 4.80 C +ATOM 80 C ARG C 52 50.738 62.499 28.896 1.00 4.92 C +ATOM 81 O ARG C 52 49.566 62.285 29.227 1.00 4.95 O +ATOM 82 CB ARG C 52 51.534 64.467 30.213 1.00 5.35 C +ATOM 83 CG ARG C 52 51.579 65.335 28.962 1.00 7.82 C +ATOM 84 CD ARG C 52 51.738 66.810 29.296 1.00 11.08 C +ATOM 85 NE ARG C 52 52.981 67.053 30.027 1.00 13.62 N +ATOM 86 CZ ARG C 52 53.079 67.678 31.200 1.00 15.65 C +ATOM 87 NH1 ARG C 52 51.996 68.173 31.809 1.00 16.64 N +ATOM 88 NH2 ARG C 52 54.279 67.823 31.760 1.00 16.01 N +ATOM 89 N PHE C 53 51.174 62.337 27.643 1.00 4.70 N +ATOM 90 CA PHE C 53 50.264 61.959 26.547 1.00 4.86 C +ATOM 91 C PHE C 53 50.208 60.448 26.347 1.00 4.20 C +ATOM 92 O PHE C 53 49.616 59.954 25.384 1.00 4.22 O +ATOM 93 CB PHE C 53 50.682 62.628 25.238 1.00 5.23 C +ATOM 94 CG PHE C 53 50.836 64.126 25.340 1.00 7.57 C +ATOM 95 CD1 PHE C 53 49.720 64.951 25.415 1.00 10.21 C +ATOM 96 CD2 PHE C 53 52.099 64.710 25.358 1.00 9.34 C +ATOM 97 CE1 PHE C 53 49.862 66.340 25.506 1.00 10.96 C +ATOM 98 CE2 PHE C 53 52.249 66.092 25.454 1.00 10.06 C +ATOM 99 CZ PHE C 53 51.131 66.906 25.526 1.00 10.37 C +ATOM 100 N GLY C 54 50.828 59.716 27.259 1.00 3.29 N +ATOM 101 CA GLY C 54 50.897 58.271 27.149 1.00 2.95 C +ATOM 102 C GLY C 54 52.005 57.783 26.236 1.00 2.56 C +ATOM 103 O GLY C 54 52.116 56.579 25.986 1.00 2.61 O +ATOM 104 N GLY C 55 52.827 58.702 25.736 1.00 2.00 N +ATOM 105 CA GLY C 55 53.994 58.321 24.935 1.00 2.00 C +ATOM 106 C GLY C 55 55.186 57.847 25.766 1.00 2.00 C +ATOM 107 O GLY C 55 55.305 58.182 26.948 1.00 2.00 O +ATOM 108 N ILE C 56 56.061 57.064 25.132 1.00 2.00 N +ATOM 109 CA ILE C 56 57.307 56.570 25.744 1.00 2.00 C +ATOM 110 C ILE C 56 58.536 57.081 24.973 1.00 2.00 C +ATOM 111 O ILE C 56 58.605 56.908 23.752 1.00 2.00 O +ATOM 112 CB ILE C 56 57.381 55.033 25.696 1.00 2.00 C +ATOM 113 CG1 ILE C 56 56.151 54.400 26.350 1.00 2.74 C +ATOM 114 CG2 ILE C 56 58.628 54.541 26.402 1.00 2.10 C +ATOM 115 CD1 ILE C 56 56.120 54.528 27.858 1.00 3.17 C +ATOM 116 N SER C 57 59.509 57.668 25.673 1.00 2.00 N +ATOM 117 CA SER C 57 60.730 58.165 25.029 1.00 2.00 C +ATOM 118 C SER C 57 61.961 57.330 25.383 1.00 2.00 C +ATOM 119 O SER C 57 62.170 56.999 26.542 1.00 2.00 O +ATOM 120 CB SER C 57 60.975 59.611 25.421 1.00 2.00 C +ATOM 121 OG SER C 57 59.988 60.425 24.841 1.00 2.00 O +ATOM 122 N VAL C 58 62.751 56.983 24.364 1.00 2.00 N +ATOM 123 CA VAL C 58 63.988 56.223 24.527 1.00 2.00 C +ATOM 124 C VAL C 58 65.131 57.067 24.000 1.00 2.00 C +ATOM 125 O VAL C 58 65.071 57.543 22.871 1.00 2.00 O +ATOM 126 CB VAL C 58 63.931 54.890 23.751 1.00 2.00 C +ATOM 127 CG1 VAL C 58 65.275 54.158 23.793 1.00 2.00 C +ATOM 128 CG2 VAL C 58 62.831 54.002 24.302 1.00 2.00 C +ATOM 129 N ARG C 59 66.145 57.294 24.832 1.00 2.00 N +ATOM 130 CA ARG C 59 67.364 57.977 24.406 1.00 2.00 C +ATOM 131 C ARG C 59 68.489 56.964 24.304 1.00 2.00 C +ATOM 132 O ARG C 59 68.798 56.263 25.271 1.00 2.00 O +ATOM 133 CB ARG C 59 67.779 59.051 25.393 1.00 2.00 C +ATOM 134 CG ARG C 59 66.684 60.077 25.683 1.00 2.00 C +ATOM 135 CD ARG C 59 67.244 61.423 26.121 1.00 2.00 C +ATOM 136 NE ARG C 59 66.497 62.421 25.371 1.00 6.80 N +ATOM 137 CZ ARG C 59 67.013 63.335 24.563 1.00 6.77 C +ATOM 138 NH1 ARG C 59 68.324 63.486 24.424 1.00 5.57 N +ATOM 139 NH2 ARG C 59 66.181 64.136 23.918 1.00 8.88 N +ATOM 140 N LEU C 60 69.123 56.901 23.142 1.00 2.00 N +ATOM 141 CA LEU C 60 70.162 55.917 22.932 1.00 2.00 C +ATOM 142 C LEU C 60 71.396 56.246 23.760 1.00 2.00 C +ATOM 143 O LEU C 60 72.126 55.330 24.167 1.00 2.00 O +ATOM 144 CB LEU C 60 70.493 55.767 21.447 1.00 2.00 C +ATOM 145 CG LEU C 60 69.691 54.644 20.758 1.00 2.00 C +ATOM 146 CD1 LEU C 60 70.087 53.294 21.308 1.00 2.00 C +ATOM 147 CD2 LEU C 60 68.177 54.840 20.872 1.00 2.00 C +ATOM 148 N ALA C 61 71.615 57.529 24.044 1.00 2.00 N +ATOM 149 CA ALA C 61 72.754 57.920 24.893 1.00 2.00 C +ATOM 150 C ALA C 61 72.568 57.503 26.352 1.00 2.00 C +ATOM 151 O ALA C 61 73.558 57.314 27.052 1.00 2.00 O +ATOM 152 CB ALA C 61 73.052 59.400 24.798 1.00 2.00 C +ATOM 153 N ARG C 62 71.321 57.333 26.799 1.00 2.54 N +ATOM 154 CA ARG C 62 71.063 56.732 28.109 1.00 3.64 C +ATOM 155 C ARG C 62 71.230 55.237 28.026 1.00 4.28 C +ATOM 156 O ARG C 62 71.750 54.619 28.928 1.00 4.21 O +ATOM 157 CB ARG C 62 69.635 56.986 28.616 1.00 3.68 C +ATOM 158 CG ARG C 62 69.387 58.325 29.248 1.00 5.26 C +ATOM 159 CD ARG C 62 68.119 58.288 30.113 1.00 6.67 C +ATOM 160 NE ARG C 62 66.964 57.792 29.359 1.00 6.97 N +ATOM 161 CZ ARG C 62 66.017 58.557 28.818 1.00 8.15 C +ATOM 162 NH1 ARG C 62 66.055 59.884 28.958 1.00 7.60 N +ATOM 163 NH2 ARG C 62 65.002 57.987 28.150 1.00 7.78 N +ATOM 164 N LEU C 63 70.718 54.646 26.961 1.00 5.61 N +ATOM 165 CA LEU C 63 70.728 53.192 26.836 1.00 6.49 C +ATOM 166 C LEU C 63 72.123 52.623 26.620 1.00 6.60 C +ATOM 167 O LEU C 63 72.394 51.482 26.992 1.00 7.19 O +ATOM 168 CB LEU C 63 69.829 52.772 25.675 1.00 7.10 C +ATOM 169 CG LEU C 63 69.648 51.271 25.463 1.00 7.85 C +ATOM 170 CD1 LEU C 63 69.316 50.592 26.793 1.00 8.62 C +ATOM 171 CD2 LEU C 63 68.555 51.061 24.432 1.00 9.56 C +ATOM 172 N ASP C 64 73.001 53.425 26.026 1.00 6.76 N +ATOM 173 CA ASP C 64 74.296 52.957 25.524 1.00 6.50 C +ATOM 174 C ASP C 64 75.275 54.119 25.498 1.00 6.09 C +ATOM 175 O ASP C 64 75.727 54.537 24.434 1.00 6.33 O +ATOM 176 CB ASP C 64 74.111 52.367 24.115 1.00 6.59 C +ATOM 177 CG ASP C 64 75.450 51.963 23.431 1.00 8.98 C +ATOM 178 OD1 ASP C 64 75.512 52.011 22.171 1.00 8.81 O +ATOM 179 OD2 ASP C 64 76.437 51.603 24.135 1.00 9.28 O +ATOM 180 N ALA C 65 75.598 54.646 26.675 1.00 5.88 N +ATOM 181 CA ALA C 65 76.466 55.821 26.792 1.00 5.63 C +ATOM 182 C ALA C 65 77.871 55.555 26.275 1.00 5.51 C +ATOM 183 O ALA C 65 78.587 56.475 25.883 1.00 5.27 O +ATOM 184 CB ALA C 65 76.529 56.293 28.241 1.00 5.31 C +ATOM 185 N LEU C 66 78.277 54.295 26.298 1.00 5.69 N +ATOM 186 CA LEU C 66 79.625 53.939 25.876 1.00 5.81 C +ATOM 187 C LEU C 66 79.720 53.582 24.388 1.00 5.38 C +ATOM 188 O LEU C 66 80.808 53.340 23.885 1.00 5.32 O +ATOM 189 CB LEU C 66 80.164 52.815 26.771 1.00 6.00 C +ATOM 190 CG LEU C 66 80.307 53.267 28.238 1.00 6.48 C +ATOM 191 CD1 LEU C 66 80.527 52.096 29.195 1.00 5.71 C +ATOM 192 CD2 LEU C 66 81.435 54.295 28.371 1.00 6.25 C +ATOM 193 N ASP C 67 78.583 53.571 23.698 1.00 5.22 N +ATOM 194 CA ASP C 67 78.522 53.279 22.262 1.00 5.03 C +ATOM 195 C ASP C 67 79.101 51.893 21.964 1.00 4.59 C +ATOM 196 O ASP C 67 79.973 51.734 21.109 1.00 4.42 O +ATOM 197 CB ASP C 67 79.243 54.359 21.448 1.00 5.08 C +ATOM 198 CG ASP C 67 78.853 54.345 19.975 1.00 6.43 C +ATOM 199 OD1 ASP C 67 77.903 53.626 19.590 1.00 8.05 O +ATOM 200 OD2 ASP C 67 79.499 55.065 19.196 1.00 8.06 O +ATOM 201 N ARG C 68 78.578 50.909 22.685 1.00 3.93 N +ATOM 202 CA ARG C 68 79.034 49.536 22.627 1.00 3.72 C +ATOM 203 C ARG C 68 77.943 48.567 22.221 1.00 3.16 C +ATOM 204 O ARG C 68 78.195 47.373 22.117 1.00 2.96 O +ATOM 205 CB ARG C 68 79.575 49.127 23.989 1.00 3.81 C +ATOM 206 CG ARG C 68 80.912 49.723 24.275 1.00 4.66 C +ATOM 207 CD ARG C 68 81.388 49.384 25.663 1.00 5.45 C +ATOM 208 NE ARG C 68 82.562 50.178 26.015 1.00 6.63 N +ATOM 209 CZ ARG C 68 83.216 50.077 27.161 1.00 7.54 C +ATOM 210 NH1 ARG C 68 82.821 49.205 28.084 1.00 7.96 N +ATOM 211 NH2 ARG C 68 84.272 50.847 27.382 1.00 8.66 N +ATOM 212 N LEU C 69 76.744 49.075 21.968 1.00 2.92 N +ATOM 213 CA LEU C 69 75.593 48.209 21.733 1.00 2.82 C +ATOM 214 C LEU C 69 75.462 47.861 20.255 1.00 2.91 C +ATOM 215 O LEU C 69 75.565 48.720 19.376 1.00 2.93 O +ATOM 216 CB LEU C 69 74.301 48.850 22.246 1.00 2.65 C +ATOM 217 CG LEU C 69 73.021 48.044 22.023 1.00 2.86 C +ATOM 218 CD1 LEU C 69 73.072 46.744 22.793 1.00 2.17 C +ATOM 219 CD2 LEU C 69 71.808 48.848 22.426 1.00 2.00 C +ATOM 220 N ASP C 70 75.226 46.579 20.011 1.00 2.90 N +ATOM 221 CA ASP C 70 75.061 46.039 18.678 1.00 2.69 C +ATOM 222 C ASP C 70 73.661 46.324 18.140 1.00 2.46 C +ATOM 223 O ASP C 70 72.667 46.227 18.868 1.00 2.46 O +ATOM 224 CB ASP C 70 75.314 44.535 18.716 1.00 3.13 C +ATOM 225 CG ASP C 70 75.058 43.871 17.385 1.00 3.76 C +ATOM 226 OD1 ASP C 70 75.956 43.929 16.503 1.00 5.72 O +ATOM 227 OD2 ASP C 70 73.957 43.300 17.233 1.00 3.51 O +ATOM 228 N ALA C 71 73.605 46.662 16.854 1.00 2.00 N +ATOM 229 CA ALA C 71 72.379 47.094 16.201 1.00 2.00 C +ATOM 230 C ALA C 71 71.305 46.012 16.195 1.00 2.00 C +ATOM 231 O ALA C 71 70.124 46.293 16.429 1.00 2.00 O +ATOM 232 CB ALA C 71 72.685 47.542 14.758 1.00 2.00 C +ATOM 233 N ALA C 72 71.711 44.786 15.898 1.00 2.00 N +ATOM 234 CA ALA C 72 70.790 43.665 15.846 1.00 2.00 C +ATOM 235 C ALA C 72 70.227 43.370 17.244 1.00 2.00 C +ATOM 236 O ALA C 72 69.063 43.006 17.391 1.00 2.00 O +ATOM 237 CB ALA C 72 71.492 42.421 15.264 1.00 2.00 C +ATOM 238 N ALA C 73 71.067 43.516 18.261 1.00 2.00 N +ATOM 239 CA ALA C 73 70.634 43.340 19.644 1.00 2.00 C +ATOM 240 C ALA C 73 69.658 44.455 20.031 1.00 2.00 C +ATOM 241 O ALA C 73 68.641 44.211 20.674 1.00 2.02 O +ATOM 242 CB ALA C 73 71.833 43.318 20.580 1.00 2.00 C +ATOM 243 N PHE C 74 69.955 45.682 19.621 1.00 2.73 N +ATOM 244 CA PHE C 74 69.011 46.771 19.811 1.00 3.16 C +ATOM 245 C PHE C 74 67.679 46.501 19.132 1.00 3.49 C +ATOM 246 O PHE C 74 66.642 46.783 19.713 1.00 3.73 O +ATOM 247 CB PHE C 74 69.564 48.106 19.319 1.00 3.43 C +ATOM 248 CG PHE C 74 68.580 49.231 19.443 1.00 3.77 C +ATOM 249 CD1 PHE C 74 68.171 49.669 20.682 1.00 5.04 C +ATOM 250 CD2 PHE C 74 68.019 49.813 18.322 1.00 4.88 C +ATOM 251 CE1 PHE C 74 67.236 50.699 20.800 1.00 3.95 C +ATOM 252 CE2 PHE C 74 67.103 50.833 18.447 1.00 4.64 C +ATOM 253 CZ PHE C 74 66.718 51.271 19.685 1.00 4.17 C +ATOM 254 N GLN C 75 67.694 45.952 17.922 1.00 4.01 N +ATOM 255 CA GLN C 75 66.434 45.661 17.220 1.00 4.70 C +ATOM 256 C GLN C 75 65.570 44.672 17.981 1.00 4.41 C +ATOM 257 O GLN C 75 64.367 44.861 18.081 1.00 4.01 O +ATOM 258 CB GLN C 75 66.650 45.135 15.786 1.00 5.19 C +ATOM 259 CG GLN C 75 65.332 44.620 15.140 1.00 7.33 C +ATOM 260 CD GLN C 75 65.405 44.447 13.640 1.00 11.35 C +ATOM 261 OE1 GLN C 75 66.412 43.990 13.108 1.00 14.55 O +ATOM 262 NE2 GLN C 75 64.324 44.805 12.944 1.00 13.46 N +ATOM 263 N LYS C 76 66.179 43.610 18.494 1.00 4.91 N +ATOM 264 CA LYS C 76 65.426 42.607 19.240 1.00 5.30 C +ATOM 265 C LYS C 76 64.819 43.220 20.490 1.00 4.93 C +ATOM 266 O LYS C 76 63.642 43.027 20.757 1.00 4.45 O +ATOM 267 CB LYS C 76 66.290 41.396 19.596 1.00 5.47 C +ATOM 268 CG LYS C 76 66.428 40.418 18.441 1.00 8.04 C +ATOM 269 CD LYS C 76 67.001 39.058 18.859 1.00 11.13 C +ATOM 270 CE LYS C 76 67.549 38.297 17.647 1.00 12.87 C +ATOM 271 NZ LYS C 76 68.792 38.946 17.067 1.00 14.10 N +ATOM 272 N GLY C 77 65.627 43.965 21.241 1.00 4.87 N +ATOM 273 CA GLY C 77 65.140 44.672 22.421 1.00 5.08 C +ATOM 274 C GLY C 77 64.003 45.626 22.080 1.00 4.88 C +ATOM 275 O GLY C 77 63.006 45.677 22.776 1.00 4.54 O +ATOM 276 N LEU C 78 64.151 46.354 20.977 1.00 5.27 N +ATOM 277 CA LEU C 78 63.147 47.342 20.558 1.00 5.62 C +ATOM 278 C LEU C 78 61.863 46.651 20.108 1.00 5.81 C +ATOM 279 O LEU C 78 60.770 47.081 20.463 1.00 5.61 O +ATOM 280 CB LEU C 78 63.697 48.255 19.457 1.00 5.20 C +ATOM 281 CG LEU C 78 62.778 49.356 18.911 1.00 5.65 C +ATOM 282 CD1 LEU C 78 62.355 50.303 20.027 1.00 3.78 C +ATOM 283 CD2 LEU C 78 63.450 50.128 17.742 1.00 4.53 C +ATOM 284 N GLN C 79 62.005 45.570 19.350 1.00 6.19 N +ATOM 285 CA GLN C 79 60.849 44.774 18.944 1.00 6.74 C +ATOM 286 C GLN C 79 60.059 44.333 20.172 1.00 6.54 C +ATOM 287 O GLN C 79 58.844 44.494 20.210 1.00 6.34 O +ATOM 288 CB GLN C 79 61.275 43.558 18.109 1.00 6.93 C +ATOM 289 CG GLN C 79 60.154 42.570 17.812 1.00 8.68 C +ATOM 290 CD GLN C 79 60.401 41.765 16.546 1.00 11.81 C +ATOM 291 OE1 GLN C 79 60.163 42.248 15.440 1.00 14.23 O +ATOM 292 NE2 GLN C 79 60.869 40.525 16.703 1.00 12.66 N +ATOM 293 N ALA C 80 60.761 43.808 21.175 1.00 6.31 N +ATOM 294 CA ALA C 80 60.123 43.375 22.426 1.00 6.71 C +ATOM 295 C ALA C 80 59.485 44.539 23.200 1.00 6.95 C +ATOM 296 O ALA C 80 58.357 44.426 23.674 1.00 6.69 O +ATOM 297 CB ALA C 80 61.121 42.637 23.309 1.00 6.14 C +ATOM 298 N ALA C 81 60.213 45.646 23.320 1.00 7.62 N +ATOM 299 CA ALA C 81 59.722 46.844 24.017 1.00 8.48 C +ATOM 300 C ALA C 81 58.463 47.417 23.371 1.00 8.99 C +ATOM 301 O ALA C 81 57.543 47.808 24.069 1.00 9.61 O +ATOM 302 CB ALA C 81 60.811 47.919 24.087 1.00 8.41 C +ATOM 303 N VAL C 82 58.424 47.452 22.045 1.00 9.48 N +ATOM 304 CA VAL C 82 57.265 47.960 21.328 1.00 10.13 C +ATOM 305 C VAL C 82 56.013 47.099 21.564 1.00 10.88 C +ATOM 306 O VAL C 82 54.924 47.633 21.801 1.00 10.34 O +ATOM 307 CB VAL C 82 57.541 48.059 19.822 1.00 10.22 C +ATOM 308 CG1 VAL C 82 56.241 48.271 19.037 1.00 9.46 C +ATOM 309 CG2 VAL C 82 58.539 49.167 19.552 1.00 10.54 C +ATOM 310 N GLN C 83 56.174 45.780 21.505 1.00 11.39 N +ATOM 311 CA GLN C 83 55.058 44.881 21.759 1.00 12.29 C +ATOM 312 C GLN C 83 54.505 45.115 23.166 1.00 12.19 C +ATOM 313 O GLN C 83 53.305 45.297 23.345 1.00 12.20 O +ATOM 314 CB GLN C 83 55.474 43.418 21.593 1.00 12.69 C +ATOM 315 CG GLN C 83 54.318 42.527 21.158 1.00 14.70 C +ATOM 316 CD GLN C 83 54.421 41.111 21.695 1.00 16.81 C +ATOM 317 OE1 GLN C 83 55.446 40.445 21.528 1.00 18.34 O +ATOM 318 NE2 GLN C 83 53.348 40.638 22.334 1.00 18.02 N +ATOM 319 N GLN C 84 55.395 45.132 24.154 1.00 12.25 N +ATOM 320 CA GLN C 84 55.003 45.362 25.546 1.00 12.20 C +ATOM 321 C GLN C 84 54.314 46.714 25.699 1.00 11.82 C +ATOM 322 O GLN C 84 53.286 46.816 26.360 1.00 11.84 O +ATOM 323 CB GLN C 84 56.210 45.253 26.498 1.00 12.28 C +ATOM 324 CG GLN C 84 55.942 45.625 27.991 1.00 13.20 C +ATOM 325 CD GLN C 84 54.865 44.759 28.686 1.00 14.49 C +ATOM 326 OE1 GLN C 84 54.343 43.798 28.113 1.00 15.02 O +ATOM 327 NE2 GLN C 84 54.534 45.112 29.931 1.00 14.12 N +ATOM 328 N TRP C 85 54.875 47.747 25.082 1.00 11.40 N +ATOM 329 CA TRP C 85 54.300 49.078 25.201 1.00 11.20 C +ATOM 330 C TRP C 85 52.970 49.206 24.464 1.00 11.52 C +ATOM 331 O TRP C 85 52.093 49.928 24.916 1.00 11.55 O +ATOM 332 CB TRP C 85 55.278 50.145 24.725 1.00 10.77 C +ATOM 333 CG TRP C 85 56.460 50.321 25.624 1.00 9.70 C +ATOM 334 CD1 TRP C 85 56.494 50.173 26.977 1.00 9.34 C +ATOM 335 CD2 TRP C 85 57.772 50.713 25.232 1.00 6.84 C +ATOM 336 NE1 TRP C 85 57.752 50.437 27.454 1.00 8.65 N +ATOM 337 CE2 TRP C 85 58.559 50.769 26.401 1.00 7.31 C +ATOM 338 CE3 TRP C 85 58.362 51.014 24.002 1.00 6.35 C +ATOM 339 CZ2 TRP C 85 59.908 51.121 26.381 1.00 5.90 C +ATOM 340 CZ3 TRP C 85 59.698 51.362 23.975 1.00 5.83 C +ATOM 341 CH2 TRP C 85 60.461 51.410 25.161 1.00 6.09 C +ATOM 342 N ARG C 86 52.816 48.510 23.340 1.00 12.08 N +ATOM 343 CA ARG C 86 51.526 48.497 22.645 1.00 12.72 C +ATOM 344 C ARG C 86 50.487 47.870 23.573 1.00 12.50 C +ATOM 345 O ARG C 86 49.440 48.459 23.820 1.00 12.41 O +ATOM 346 CB ARG C 86 51.585 47.762 21.293 1.00 12.96 C +ATOM 347 CG ARG C 86 50.313 47.979 20.428 1.00 14.39 C +ATOM 348 CD ARG C 86 50.331 47.229 19.084 1.00 15.15 C +ATOM 349 NE ARG C 86 51.098 47.924 18.044 1.00 15.89 N +ATOM 350 CZ ARG C 86 52.359 47.653 17.705 1.00 16.24 C +ATOM 351 NH1 ARG C 86 53.036 46.686 18.319 1.00 16.97 N +ATOM 352 NH2 ARG C 86 52.947 48.349 16.732 1.00 15.57 N +ATOM 353 N SER C 87 50.821 46.713 24.138 1.00 12.33 N +ATOM 354 CA SER C 87 49.912 46.006 25.033 1.00 12.15 C +ATOM 355 C SER C 87 49.650 46.791 26.318 1.00 11.69 C +ATOM 356 O SER C 87 48.631 46.594 26.959 1.00 11.52 O +ATOM 357 CB SER C 87 50.438 44.600 25.360 1.00 12.31 C +ATOM 358 OG SER C 87 51.325 44.622 26.467 1.00 12.75 O +ATOM 359 N GLU C 88 50.563 47.683 26.686 1.00 11.22 N +ATOM 360 CA GLU C 88 50.354 48.559 27.840 1.00 10.82 C +ATOM 361 C GLU C 88 49.405 49.712 27.501 1.00 10.15 C +ATOM 362 O GLU C 88 49.005 50.471 28.378 1.00 9.85 O +ATOM 363 CB GLU C 88 51.683 49.128 28.348 1.00 11.13 C +ATOM 364 CG GLU C 88 52.476 48.202 29.265 1.00 11.88 C +ATOM 365 CD GLU C 88 53.838 48.780 29.655 1.00 13.43 C +ATOM 366 OE1 GLU C 88 54.061 50.003 29.475 1.00 13.70 O +ATOM 367 OE2 GLU C 88 54.692 48.005 30.142 1.00 15.06 O +ATOM 368 N GLY C 89 49.051 49.846 26.230 1.00 9.34 N +ATOM 369 CA GLY C 89 48.166 50.918 25.806 1.00 8.80 C +ATOM 370 C GLY C 89 48.847 52.269 25.693 1.00 8.21 C +ATOM 371 O GLY C 89 48.188 53.298 25.750 1.00 8.24 O +ATOM 372 N ARG C 90 50.165 52.275 25.513 1.00 7.47 N +ATOM 373 CA ARG C 90 50.896 53.525 25.272 1.00 6.82 C +ATOM 374 C ARG C 90 50.569 54.066 23.871 1.00 6.17 C +ATOM 375 O ARG C 90 50.223 53.312 22.954 1.00 5.82 O +ATOM 376 CB ARG C 90 52.415 53.327 25.407 1.00 7.08 C +ATOM 377 CG ARG C 90 52.885 52.621 26.673 1.00 6.77 C +ATOM 378 CD ARG C 90 52.465 53.336 27.938 1.00 7.78 C +ATOM 379 NE ARG C 90 52.901 52.590 29.118 1.00 8.66 N +ATOM 380 CZ ARG C 90 52.468 52.807 30.355 1.00 9.02 C +ATOM 381 NH1 ARG C 90 51.569 53.756 30.599 1.00 10.03 N +ATOM 382 NH2 ARG C 90 52.932 52.067 31.352 1.00 8.97 N +ATOM 383 N THR C 91 50.687 55.376 23.703 1.00 5.28 N +ATOM 384 CA THR C 91 50.196 56.021 22.494 1.00 4.48 C +ATOM 385 C THR C 91 51.239 56.106 21.369 1.00 3.71 C +ATOM 386 O THR C 91 50.898 55.975 20.199 1.00 3.05 O +ATOM 387 CB THR C 91 49.673 57.420 22.812 1.00 4.70 C +ATOM 388 OG1 THR C 91 50.709 58.179 23.434 1.00 4.63 O +ATOM 389 CG2 THR C 91 48.458 57.338 23.745 1.00 5.00 C +ATOM 390 N ALA C 92 52.499 56.327 21.735 1.00 2.65 N +ATOM 391 CA ALA C 92 53.580 56.479 20.768 1.00 2.00 C +ATOM 392 C ALA C 92 54.940 56.152 21.385 1.00 2.00 C +ATOM 393 O ALA C 92 55.127 56.231 22.600 1.00 2.00 O +ATOM 394 CB ALA C 92 53.592 57.888 20.214 1.00 2.00 C +ATOM 395 N VAL C 93 55.885 55.767 20.538 1.00 2.00 N +ATOM 396 CA VAL C 93 57.255 55.600 20.965 1.00 2.00 C +ATOM 397 C VAL C 93 58.144 56.626 20.256 1.00 2.00 C +ATOM 398 O VAL C 93 57.990 56.864 19.048 1.00 2.00 O +ATOM 399 CB VAL C 93 57.750 54.171 20.713 1.00 2.00 C +ATOM 400 CG1 VAL C 93 59.171 54.003 21.255 1.00 2.00 C +ATOM 401 CG2 VAL C 93 56.783 53.158 21.366 1.00 2.00 C +ATOM 402 N TRP C 94 59.038 57.248 21.025 1.00 2.00 N +ATOM 403 CA TRP C 94 60.001 58.206 20.503 1.00 2.00 C +ATOM 404 C TRP C 94 61.410 57.671 20.742 1.00 2.00 C +ATOM 405 O TRP C 94 61.690 57.102 21.789 1.00 2.00 O +ATOM 406 CB TRP C 94 59.852 59.571 21.170 1.00 2.00 C +ATOM 407 CG TRP C 94 58.508 60.180 20.986 1.00 2.00 C +ATOM 408 CD1 TRP C 94 57.403 59.935 21.734 1.00 2.00 C +ATOM 409 CD2 TRP C 94 58.120 61.156 20.010 1.00 2.00 C +ATOM 410 NE1 TRP C 94 56.347 60.679 21.287 1.00 2.00 N +ATOM 411 CE2 TRP C 94 56.755 61.440 20.227 1.00 2.00 C +ATOM 412 CE3 TRP C 94 58.791 61.815 18.971 1.00 2.00 C +ATOM 413 CZ2 TRP C 94 56.033 62.356 19.441 1.00 2.00 C +ATOM 414 CZ3 TRP C 94 58.076 62.727 18.186 1.00 2.11 C +ATOM 415 CH2 TRP C 94 56.710 62.989 18.431 1.00 2.00 C +ATOM 416 N LEU C 95 62.274 57.831 19.744 1.00 2.00 N +ATOM 417 CA LEU C 95 63.660 57.393 19.825 1.00 2.00 C +ATOM 418 C LEU C 95 64.581 58.551 19.506 1.00 2.00 C +ATOM 419 O LEU C 95 64.529 59.103 18.400 1.00 2.00 O +ATOM 420 CB LEU C 95 63.962 56.301 18.805 1.00 2.00 C +ATOM 421 CG LEU C 95 63.174 54.992 18.805 1.00 2.00 C +ATOM 422 CD1 LEU C 95 63.775 54.076 17.738 1.00 2.00 C +ATOM 423 CD2 LEU C 95 63.156 54.303 20.159 1.00 2.00 C +ATOM 424 N HIS C 96 65.437 58.911 20.447 1.00 2.00 N +ATOM 425 CA AHIS C 96 66.450 59.939 20.213 0.50 2.00 C +ATOM 426 CA BHIS C 96 66.419 59.936 20.188 0.50 2.00 C +ATOM 427 C HIS C 96 67.785 59.263 19.982 1.00 2.00 C +ATOM 428 O HIS C 96 68.293 58.562 20.863 1.00 2.00 O +ATOM 429 CB AHIS C 96 66.566 60.907 21.391 0.50 2.00 C +ATOM 430 CB BHIS C 96 66.368 60.974 21.312 0.50 2.00 C +ATOM 431 CG AHIS C 96 67.619 61.957 21.198 0.50 2.00 C +ATOM 432 CG BHIS C 96 64.980 61.490 21.579 0.50 2.00 C +ATOM 433 ND1AHIS C 96 68.950 61.739 21.495 0.50 2.00 N +ATOM 434 ND1BHIS C 96 64.495 62.661 21.028 0.50 2.00 N +ATOM 435 CD2AHIS C 96 67.543 63.218 20.709 0.50 2.00 C +ATOM 436 CD2BHIS C 96 63.965 60.976 22.318 0.50 2.00 C +ATOM 437 CE1AHIS C 96 69.643 62.825 21.205 0.50 2.00 C +ATOM 438 CE1BHIS C 96 63.249 62.851 21.426 0.50 2.00 C +ATOM 439 NE2AHIS C 96 68.813 63.738 20.729 0.50 2.00 N +ATOM 440 NE2BHIS C 96 62.903 61.841 22.204 0.50 2.00 N +ATOM 441 N ILE C 97 68.350 59.459 18.794 1.00 2.00 N +ATOM 442 CA ILE C 97 69.572 58.783 18.386 1.00 2.00 C +ATOM 443 C ILE C 97 70.692 59.768 18.001 1.00 2.00 C +ATOM 444 O ILE C 97 70.606 60.464 16.991 1.00 2.00 O +ATOM 445 CB ILE C 97 69.306 57.830 17.205 1.00 2.00 C +ATOM 446 CG1 ILE C 97 68.153 56.865 17.536 1.00 2.00 C +ATOM 447 CG2 ILE C 97 70.572 57.064 16.853 1.00 2.00 C +ATOM 448 CD1 ILE C 97 67.697 55.990 16.368 1.00 2.00 C +ATOM 449 N PRO C 98 71.758 59.828 18.816 1.00 2.00 N +ATOM 450 CA PRO C 98 72.955 60.607 18.479 1.00 2.00 C +ATOM 451 C PRO C 98 73.503 60.210 17.106 1.00 2.00 C +ATOM 452 O PRO C 98 73.412 59.045 16.721 1.00 2.00 O +ATOM 453 CB PRO C 98 73.938 60.240 19.592 1.00 2.00 C +ATOM 454 CG PRO C 98 73.100 59.829 20.730 1.00 2.00 C +ATOM 455 CD PRO C 98 71.853 59.221 20.154 1.00 2.00 C +ATOM 456 N ILE C 99 74.028 61.171 16.358 1.00 2.00 N +ATOM 457 CA ILE C 99 74.374 60.903 14.965 1.00 2.00 C +ATOM 458 C ILE C 99 75.415 59.784 14.775 1.00 2.00 C +ATOM 459 O ILE C 99 75.353 59.066 13.805 1.00 2.00 O +ATOM 460 CB ILE C 99 74.835 62.172 14.212 1.00 2.00 C +ATOM 461 CG1 ILE C 99 74.821 61.906 12.699 1.00 2.00 C +ATOM 462 CG2 ILE C 99 76.204 62.643 14.703 1.00 2.00 C +ATOM 463 CD1 ILE C 99 75.139 63.110 11.847 1.00 2.00 C +ATOM 464 N LEU C 100 76.359 59.640 15.694 1.00 2.00 N +ATOM 465 CA LEU C 100 77.371 58.581 15.585 1.00 2.00 C +ATOM 466 C LEU C 100 76.794 57.238 15.977 1.00 2.00 C +ATOM 467 O LEU C 100 77.429 56.212 15.785 1.00 2.00 O +ATOM 468 CB LEU C 100 78.605 58.875 16.445 1.00 2.00 C +ATOM 469 CG LEU C 100 79.511 60.012 15.979 1.00 2.00 C +ATOM 470 CD1 LEU C 100 80.599 60.325 17.027 1.00 2.00 C +ATOM 471 CD2 LEU C 100 80.157 59.674 14.629 1.00 2.00 C +ATOM 472 N GLN C 101 75.590 57.241 16.527 1.00 2.00 N +ATOM 473 CA GLN C 101 74.889 55.998 16.800 1.00 2.00 C +ATOM 474 C GLN C 101 73.797 55.678 15.770 1.00 2.00 C +ATOM 475 O GLN C 101 72.892 54.890 16.037 1.00 2.00 O +ATOM 476 CB GLN C 101 74.354 56.032 18.220 1.00 2.00 C +ATOM 477 CG GLN C 101 75.451 55.815 19.233 1.00 2.00 C +ATOM 478 CD GLN C 101 74.969 55.917 20.659 1.00 2.00 C +ATOM 479 OE1 GLN C 101 74.248 56.852 21.020 1.00 2.00 O +ATOM 480 NE2 GLN C 101 75.366 54.965 21.480 1.00 2.00 N +ATOM 481 N SER C 102 73.929 56.216 14.559 1.00 2.00 N +ATOM 482 CA SER C 102 72.861 56.046 13.566 1.00 2.00 C +ATOM 483 C SER C 102 72.668 54.621 13.034 1.00 2.00 C +ATOM 484 O SER C 102 71.708 54.374 12.315 1.00 2.00 O +ATOM 485 CB SER C 102 73.017 57.040 12.414 1.00 2.00 C +ATOM 486 OG SER C 102 72.947 58.374 12.912 1.00 2.00 O +ATOM 487 N ARG C 103 73.538 53.686 13.396 1.00 2.00 N +ATOM 488 CA ARG C 103 73.296 52.273 13.083 1.00 2.00 C +ATOM 489 C ARG C 103 71.950 51.772 13.608 1.00 2.00 C +ATOM 490 O ARG C 103 71.413 50.794 13.097 1.00 2.00 O +ATOM 491 CB ARG C 103 74.437 51.381 13.613 1.00 2.00 C +ATOM 492 CG ARG C 103 74.534 51.273 15.118 1.00 2.00 C +ATOM 493 CD ARG C 103 75.808 50.568 15.555 1.00 2.00 C +ATOM 494 NE ARG C 103 75.942 50.520 17.015 1.00 2.00 N +ATOM 495 CZ ARG C 103 76.534 51.445 17.773 1.00 2.00 C +ATOM 496 NH1 ARG C 103 77.075 52.544 17.251 1.00 2.00 N +ATOM 497 NH2 ARG C 103 76.593 51.267 19.087 1.00 2.00 N +ATOM 498 N PHE C 104 71.408 52.438 14.630 1.00 2.00 N +ATOM 499 CA PHE C 104 70.113 52.043 15.217 1.00 2.00 C +ATOM 500 C PHE C 104 68.879 52.448 14.395 1.00 2.00 C +ATOM 501 O PHE C 104 67.788 51.899 14.588 1.00 2.00 O +ATOM 502 CB PHE C 104 70.003 52.539 16.670 1.00 2.00 C +ATOM 503 CG PHE C 104 71.103 52.029 17.560 1.00 2.00 C +ATOM 504 CD1 PHE C 104 71.331 50.665 17.688 1.00 2.00 C +ATOM 505 CD2 PHE C 104 71.935 52.905 18.246 1.00 2.00 C +ATOM 506 CE1 PHE C 104 72.351 50.182 18.494 1.00 2.00 C +ATOM 507 CE2 PHE C 104 72.967 52.418 19.059 1.00 2.00 C +ATOM 508 CZ PHE C 104 73.164 51.065 19.182 1.00 2.00 C +ATOM 509 N ILE C 105 69.058 53.350 13.439 1.00 2.00 N +ATOM 510 CA ILE C 105 67.934 53.893 12.686 1.00 2.00 C +ATOM 511 C ILE C 105 67.261 52.851 11.779 1.00 2.00 C +ATOM 512 O ILE C 105 66.061 52.573 11.901 1.00 2.00 O +ATOM 513 CB ILE C 105 68.378 55.087 11.836 1.00 2.00 C +ATOM 514 CG1 ILE C 105 68.804 56.241 12.753 1.00 2.00 C +ATOM 515 CG2 ILE C 105 67.252 55.488 10.869 1.00 2.00 C +ATOM 516 CD1 ILE C 105 69.392 57.400 12.034 1.00 2.00 C +ATOM 517 N ALA C 106 68.028 52.291 10.854 1.00 2.00 N +ATOM 518 CA ALA C 106 67.469 51.324 9.907 1.00 2.00 C +ATOM 519 C ALA C 106 66.701 50.163 10.591 1.00 2.00 C +ATOM 520 O ALA C 106 65.564 49.879 10.216 1.00 2.00 O +ATOM 521 CB ALA C 106 68.554 50.808 8.916 1.00 2.00 C +ATOM 522 N PRO C 107 67.299 49.510 11.602 1.00 2.00 N +ATOM 523 CA PRO C 107 66.543 48.518 12.364 1.00 2.00 C +ATOM 524 C PRO C 107 65.255 49.058 12.982 1.00 2.00 C +ATOM 525 O PRO C 107 64.251 48.355 12.974 1.00 2.00 O +ATOM 526 CB PRO C 107 67.517 48.098 13.475 1.00 2.00 C +ATOM 527 CG PRO C 107 68.838 48.367 12.928 1.00 2.00 C +ATOM 528 CD PRO C 107 68.695 49.583 12.049 1.00 2.00 C +ATOM 529 N ALA C 108 65.278 50.273 13.512 1.00 2.00 N +ATOM 530 CA ALA C 108 64.054 50.906 14.001 1.00 2.00 C +ATOM 531 C ALA C 108 63.054 51.144 12.859 1.00 2.00 C +ATOM 532 O ALA C 108 61.858 50.917 13.016 1.00 2.00 O +ATOM 533 CB ALA C 108 64.364 52.209 14.726 1.00 2.00 C +ATOM 534 N ALA C 109 63.551 51.601 11.716 1.00 2.00 N +ATOM 535 CA ALA C 109 62.726 51.774 10.520 1.00 2.00 C +ATOM 536 C ALA C 109 62.048 50.473 10.079 1.00 2.00 C +ATOM 537 O ALA C 109 60.883 50.471 9.705 1.00 2.00 O +ATOM 538 CB ALA C 109 63.562 52.365 9.359 1.00 2.00 C +ATOM 539 N SER C 110 62.761 49.357 10.153 1.00 2.00 N +ATOM 540 CA SER C 110 62.165 48.084 9.750 1.00 2.00 C +ATOM 541 C SER C 110 60.982 47.730 10.651 1.00 2.00 C +ATOM 542 O SER C 110 60.136 46.935 10.276 1.00 2.00 O +ATOM 543 CB SER C 110 63.203 46.954 9.766 1.00 2.00 C +ATOM 544 OG SER C 110 63.510 46.569 11.102 1.00 3.14 O +ATOM 545 N LEU C 111 60.940 48.311 11.846 1.00 2.00 N +ATOM 546 CA LEU C 111 59.825 48.115 12.756 1.00 2.00 C +ATOM 547 C LEU C 111 58.754 49.201 12.642 1.00 2.00 C +ATOM 548 O LEU C 111 57.841 49.226 13.446 1.00 2.00 O +ATOM 549 CB LEU C 111 60.319 48.056 14.199 1.00 2.00 C +ATOM 550 CG LEU C 111 61.224 46.892 14.579 1.00 2.00 C +ATOM 551 CD1 LEU C 111 61.739 47.101 16.004 1.00 2.00 C +ATOM 552 CD2 LEU C 111 60.485 45.543 14.442 1.00 2.00 C +ATOM 553 N GLY C 112 58.853 50.095 11.662 1.00 2.00 N +ATOM 554 CA GLY C 112 57.810 51.095 11.433 1.00 2.00 C +ATOM 555 C GLY C 112 58.135 52.517 11.875 1.00 2.00 C +ATOM 556 O GLY C 112 57.341 53.438 11.644 1.00 2.00 O +ATOM 557 N PHE C 113 59.296 52.716 12.498 1.00 2.00 N +ATOM 558 CA PHE C 113 59.702 54.060 12.911 1.00 2.00 C +ATOM 559 C PHE C 113 60.039 54.920 11.702 1.00 2.00 C +ATOM 560 O PHE C 113 60.528 54.414 10.707 1.00 2.00 O +ATOM 561 CB PHE C 113 60.900 54.019 13.852 1.00 2.00 C +ATOM 562 CG PHE C 113 60.558 53.635 15.257 1.00 2.00 C +ATOM 563 CD1 PHE C 113 60.510 52.309 15.631 1.00 2.00 C +ATOM 564 CD2 PHE C 113 60.314 54.606 16.212 1.00 2.00 C +ATOM 565 CE1 PHE C 113 60.207 51.955 16.921 1.00 2.00 C +ATOM 566 CE2 PHE C 113 60.016 54.255 17.518 1.00 2.00 C +ATOM 567 CZ PHE C 113 59.960 52.928 17.870 1.00 2.00 C +ATOM 568 N CYS C 114 59.742 56.210 11.808 1.00 2.00 N +ATOM 569 CA ACYS C 114 60.107 57.177 10.778 0.50 2.00 C +ATOM 570 CA BCYS C 114 60.057 57.197 10.777 0.50 2.00 C +ATOM 571 C CYS C 114 60.735 58.401 11.435 1.00 2.00 C +ATOM 572 O CYS C 114 60.587 58.625 12.641 1.00 2.00 O +ATOM 573 CB ACYS C 114 58.893 57.578 9.933 0.50 2.00 C +ATOM 574 CB BCYS C 114 58.784 57.670 10.061 0.50 2.00 C +ATOM 575 SG ACYS C 114 57.706 58.685 10.731 0.50 2.00 S +ATOM 576 SG BCYS C 114 57.637 56.366 9.514 0.50 2.00 S +ATOM 577 N PHE C 115 61.455 59.178 10.643 1.00 2.00 N +ATOM 578 CA PHE C 115 62.078 60.372 11.146 1.00 2.00 C +ATOM 579 C PHE C 115 60.980 61.347 11.519 1.00 2.00 C +ATOM 580 O PHE C 115 60.050 61.547 10.738 1.00 2.00 O +ATOM 581 CB PHE C 115 62.972 61.032 10.095 1.00 2.00 C +ATOM 582 CG PHE C 115 64.292 60.364 9.907 1.00 2.00 C +ATOM 583 CD1 PHE C 115 65.205 60.298 10.950 1.00 2.00 C +ATOM 584 CD2 PHE C 115 64.651 59.841 8.663 1.00 2.00 C +ATOM 585 CE1 PHE C 115 66.441 59.700 10.772 1.00 2.00 C +ATOM 586 CE2 PHE C 115 65.884 59.248 8.476 1.00 2.00 C +ATOM 587 CZ PHE C 115 66.781 59.167 9.534 1.00 2.00 C +ATOM 588 N HIS C 116 61.091 61.942 12.708 1.00 2.00 N +ATOM 589 CA HIS C 116 60.285 63.117 13.055 1.00 2.00 C +ATOM 590 C HIS C 116 61.082 64.391 12.742 1.00 2.00 C +ATOM 591 O HIS C 116 60.594 65.278 12.064 1.00 2.00 O +ATOM 592 CB HIS C 116 59.872 63.069 14.526 1.00 2.00 C +ATOM 593 CG HIS C 116 59.036 64.233 14.956 1.00 2.00 C +ATOM 594 ND1 HIS C 116 59.582 65.401 15.437 1.00 2.00 N +ATOM 595 CD2 HIS C 116 57.689 64.402 14.989 1.00 2.00 C +ATOM 596 CE1 HIS C 116 58.609 66.242 15.746 1.00 2.00 C +ATOM 597 NE2 HIS C 116 57.450 65.659 15.486 1.00 2.00 N +ATOM 598 N HIS C 117 62.316 64.475 13.225 1.00 2.00 N +ATOM 599 CA HIS C 117 63.184 65.624 12.906 1.00 2.00 C +ATOM 600 C HIS C 117 64.639 65.299 13.229 1.00 2.00 C +ATOM 601 O HIS C 117 64.934 64.228 13.745 1.00 2.00 O +ATOM 602 CB HIS C 117 62.733 66.895 13.665 1.00 2.00 C +ATOM 603 CG HIS C 117 62.962 66.824 15.144 1.00 2.00 C +ATOM 604 ND1 HIS C 117 62.061 66.236 16.013 1.00 2.00 N +ATOM 605 CD2 HIS C 117 64.000 67.250 15.907 1.00 2.00 C +ATOM 606 CE1 HIS C 117 62.540 66.300 17.248 1.00 2.00 C +ATOM 607 NE2 HIS C 117 63.717 66.906 17.211 1.00 2.00 N +ATOM 608 N ALA C 118 65.547 66.219 12.919 1.00 2.00 N +ATOM 609 CA ALA C 118 66.948 66.059 13.288 1.00 2.00 C +ATOM 610 C ALA C 118 67.584 67.376 13.674 1.00 2.00 C +ATOM 611 O ALA C 118 67.236 68.421 13.135 1.00 2.00 O +ATOM 612 CB ALA C 118 67.727 65.434 12.153 1.00 2.00 C +ATOM 613 N GLU C 119 68.500 67.318 14.636 1.00 2.00 N +ATOM 614 CA GLU C 119 69.422 68.409 14.891 1.00 2.00 C +ATOM 615 C GLU C 119 70.718 68.017 14.170 1.00 2.00 C +ATOM 616 O GLU C 119 70.819 66.910 13.652 1.00 2.00 O +ATOM 617 CB GLU C 119 69.678 68.573 16.391 1.00 2.00 C +ATOM 618 CG GLU C 119 68.443 68.769 17.254 1.00 2.55 C +ATOM 619 CD GLU C 119 67.735 70.096 17.015 1.00 7.21 C +ATOM 620 OE1 GLU C 119 68.353 71.034 16.452 1.00 9.81 O +ATOM 621 OE2 GLU C 119 66.547 70.202 17.410 1.00 11.16 O +ATOM 622 N SER C 120 71.701 68.905 14.140 1.00 2.00 N +ATOM 623 CA SER C 120 72.987 68.604 13.502 1.00 2.00 C +ATOM 624 C SER C 120 73.509 67.239 13.914 1.00 2.00 C +ATOM 625 O SER C 120 73.907 66.452 13.081 1.00 2.00 O +ATOM 626 CB SER C 120 74.025 69.661 13.883 1.00 2.00 C +ATOM 627 OG SER C 120 73.752 70.900 13.229 1.00 2.00 O +ATOM 628 N ASP C 121 73.468 66.967 15.210 1.00 2.00 N +ATOM 629 CA ASP C 121 74.174 65.856 15.797 1.00 2.00 C +ATOM 630 C ASP C 121 73.279 64.753 16.348 1.00 2.00 C +ATOM 631 O ASP C 121 73.738 63.937 17.109 1.00 2.00 O +ATOM 632 CB ASP C 121 75.081 66.381 16.918 1.00 2.00 C +ATOM 633 CG ASP C 121 74.296 67.008 18.079 1.00 2.00 C +ATOM 634 OD1 ASP C 121 73.183 67.523 17.849 1.00 2.00 O +ATOM 635 OD2 ASP C 121 74.807 66.976 19.232 1.00 5.51 O +ATOM 636 N SER C 122 72.007 64.724 15.961 1.00 2.00 N +ATOM 637 CA SER C 122 71.092 63.682 16.415 1.00 2.00 C +ATOM 638 C SER C 122 69.822 63.673 15.578 1.00 2.00 C +ATOM 639 O SER C 122 69.498 64.663 14.913 1.00 2.00 O +ATOM 640 CB SER C 122 70.701 63.907 17.871 1.00 2.00 C +ATOM 641 OG SER C 122 69.762 64.964 17.954 1.00 2.00 O +ATOM 642 N SER C 123 69.099 62.562 15.633 1.00 2.00 N +ATOM 643 CA SER C 123 67.829 62.442 14.937 1.00 2.00 C +ATOM 644 C SER C 123 66.776 61.906 15.906 1.00 2.00 C +ATOM 645 O SER C 123 67.101 61.256 16.878 1.00 2.00 O +ATOM 646 CB SER C 123 67.961 61.570 13.667 1.00 2.00 C +ATOM 647 OG SER C 123 68.210 60.201 13.956 1.00 2.00 O +ATOM 648 N THR C 124 65.518 62.243 15.664 1.00 2.00 N +ATOM 649 CA THR C 124 64.413 61.795 16.512 1.00 2.00 C +ATOM 650 C THR C 124 63.448 61.019 15.638 1.00 2.00 C +ATOM 651 O THR C 124 63.047 61.476 14.579 1.00 2.00 O +ATOM 652 CB THR C 124 63.698 62.982 17.188 1.00 2.00 C +ATOM 653 OG1 THR C 124 64.615 63.640 18.066 1.00 2.00 O +ATOM 654 CG2 THR C 124 62.469 62.518 17.992 1.00 2.00 C +ATOM 655 N LEU C 125 63.092 59.833 16.088 1.00 2.00 N +ATOM 656 CA LEU C 125 62.242 58.945 15.341 1.00 2.00 C +ATOM 657 C LEU C 125 61.020 58.701 16.169 1.00 2.00 C +ATOM 658 O LEU C 125 61.065 58.810 17.397 1.00 2.00 O +ATOM 659 CB LEU C 125 62.961 57.622 15.095 1.00 2.00 C +ATOM 660 CG LEU C 125 63.922 57.606 13.905 1.00 2.00 C +ATOM 661 CD1 LEU C 125 65.101 58.541 14.122 1.00 2.00 C +ATOM 662 CD2 LEU C 125 64.388 56.178 13.669 1.00 2.00 C +ATOM 663 N THR C 126 59.925 58.352 15.506 1.00 2.00 N +ATOM 664 CA THR C 126 58.695 58.098 16.210 1.00 2.00 C +ATOM 665 C THR C 126 57.907 56.978 15.562 1.00 2.00 C +ATOM 666 O THR C 126 58.027 56.739 14.363 1.00 2.00 O +ATOM 667 CB THR C 126 57.841 59.378 16.311 1.00 2.00 C +ATOM 668 OG1 THR C 126 56.813 59.170 17.274 1.00 2.00 O +ATOM 669 CG2 THR C 126 57.218 59.749 14.983 1.00 2.00 C +ATOM 670 N LEU C 127 57.145 56.272 16.385 1.00 2.00 N +ATOM 671 CA LEU C 127 56.205 55.263 15.928 1.00 2.00 C +ATOM 672 C LEU C 127 54.894 55.485 16.657 1.00 2.99 C +ATOM 673 O LEU C 127 54.857 55.479 17.883 1.00 2.78 O +ATOM 674 CB LEU C 127 56.734 53.856 16.223 1.00 2.00 C +ATOM 675 CG LEU C 127 55.754 52.683 16.005 1.00 2.00 C +ATOM 676 CD1 LEU C 127 55.432 52.487 14.524 1.00 2.00 C +ATOM 677 CD2 LEU C 127 56.294 51.375 16.615 1.00 2.00 C +ATOM 678 N TRP C 128 53.830 55.687 15.891 1.00 4.62 N +ATOM 679 CA TRP C 128 52.474 55.791 16.418 1.00 6.09 C +ATOM 680 C TRP C 128 51.975 54.402 16.828 1.00 7.03 C +ATOM 681 O TRP C 128 52.147 53.438 16.085 1.00 7.08 O +ATOM 682 CB TRP C 128 51.570 56.408 15.344 1.00 6.28 C +ATOM 683 CG TRP C 128 50.094 56.489 15.663 1.00 8.10 C +ATOM 684 CD1 TRP C 128 49.423 57.557 16.202 1.00 9.87 C +ATOM 685 CD2 TRP C 128 49.100 55.481 15.413 1.00 9.97 C +ATOM 686 NE1 TRP C 128 48.079 57.271 16.316 1.00 10.11 N +ATOM 687 CE2 TRP C 128 47.853 56.006 15.840 1.00 10.57 C +ATOM 688 CE3 TRP C 128 49.142 54.185 14.877 1.00 10.46 C +ATOM 689 CZ2 TRP C 128 46.663 55.281 15.743 1.00 10.33 C +ATOM 690 CZ3 TRP C 128 47.957 53.464 14.782 1.00 10.69 C +ATOM 691 CH2 TRP C 128 46.733 54.017 15.217 1.00 10.96 C +ATOM 692 N LEU C 129 51.383 54.297 18.019 1.00 8.42 N +ATOM 693 CA LEU C 129 50.770 53.038 18.478 1.00 9.74 C +ATOM 694 C LEU C 129 49.232 53.114 18.497 1.00 11.13 C +ATOM 695 O LEU C 129 48.566 52.195 18.041 1.00 11.00 O +ATOM 696 CB LEU C 129 51.305 52.636 19.856 1.00 9.41 C +ATOM 697 CG LEU C 129 52.820 52.441 19.951 1.00 9.21 C +ATOM 698 CD1 LEU C 129 53.256 52.240 21.405 1.00 7.75 C +ATOM 699 CD2 LEU C 129 53.269 51.281 19.072 1.00 8.25 C +ATOM 700 N ARG C 130 48.695 54.210 19.032 1.00 13.07 N +ATOM 701 CA ARG C 130 47.254 54.479 19.078 1.00 14.81 C +ATOM 702 C ARG C 130 47.016 55.980 19.326 1.00 15.66 C +ATOM 703 O ARG C 130 47.971 56.727 19.562 1.00 15.63 O +ATOM 704 CB ARG C 130 46.567 53.623 20.152 1.00 15.26 C +ATOM 705 CG ARG C 130 46.955 53.946 21.586 1.00 17.11 C +ATOM 706 CD ARG C 130 46.209 53.058 22.580 1.00 19.85 C +ATOM 707 NE ARG C 130 44.859 53.540 22.888 1.00 22.44 N +ATOM 708 CZ ARG C 130 44.516 54.268 23.957 1.00 24.58 C +ATOM 709 NH1 ARG C 130 45.412 54.644 24.873 1.00 24.85 N +ATOM 710 NH2 ARG C 130 43.248 54.627 24.119 1.00 25.33 N +ATOM 711 N GLU C 131 45.759 56.422 19.281 1.00 16.55 N +ATOM 712 CA GLU C 131 45.442 57.860 19.434 1.00 17.31 C +ATOM 713 C GLU C 131 45.451 58.341 20.885 1.00 17.02 C +ATOM 714 O GLU C 131 44.986 57.646 21.782 1.00 16.87 O +ATOM 715 CB GLU C 131 44.096 58.187 18.792 1.00 17.68 C +ATOM 716 CG GLU C 131 44.124 58.095 17.277 1.00 19.57 C +ATOM 717 CD GLU C 131 44.711 59.324 16.592 1.00 22.33 C +ATOM 718 OE1 GLU C 131 44.202 60.437 16.857 1.00 24.15 O +ATOM 719 OE2 GLU C 131 45.654 59.176 15.773 1.00 23.12 O Added: SwiftApps/modFTdock/input/3g36-1.pdb =================================================================== --- SwiftApps/modFTdock/input/3g36-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/3g36-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,800 @@ +ATOM 1 N VAL A 46 21.798 10.349 19.865 1.00 26.94 N +ATOM 2 CA VAL A 46 23.065 10.192 20.644 1.00 26.28 C +ATOM 3 C VAL A 46 24.112 9.451 19.803 1.00 25.27 C +ATOM 4 O VAL A 46 24.068 8.215 19.689 1.00 26.31 O +ATOM 5 CB VAL A 46 22.820 9.490 22.021 1.00 26.87 C +ATOM 6 CG1 VAL A 46 21.959 8.216 21.865 1.00 28.08 C +ATOM 7 CG2 VAL A 46 24.147 9.200 22.754 1.00 27.84 C +ATOM 8 N ASP A 47 25.033 10.189 19.178 1.00 23.63 N +ATOM 9 CA ASP A 47 25.027 11.651 19.136 1.00 21.32 C +ATOM 10 C ASP A 47 24.088 12.110 18.025 1.00 19.21 C +ATOM 11 O ASP A 47 24.359 11.911 16.841 1.00 18.35 O +ATOM 12 CB ASP A 47 26.444 12.183 18.886 1.00 21.88 C +ATOM 13 CG ASP A 47 26.520 13.710 18.842 1.00 23.75 C +ATOM 14 OD1 ASP A 47 25.532 14.417 19.159 1.00 24.80 O +ATOM 15 OD2 ASP A 47 27.612 14.212 18.490 1.00 27.96 O +ATOM 16 N LEU A 48 22.978 12.731 18.421 1.00 16.80 N +ATOM 17 CA LEU A 48 21.977 13.209 17.465 1.00 14.57 C +ATOM 18 C LEU A 48 22.543 14.189 16.447 1.00 13.20 C +ATOM 19 O LEU A 48 22.119 14.204 15.300 1.00 11.48 O +ATOM 20 CB LEU A 48 20.802 13.854 18.205 1.00 15.16 C +ATOM 21 CG LEU A 48 19.861 12.925 18.979 1.00 15.28 C +ATOM 22 CD1 LEU A 48 18.903 13.732 19.835 1.00 16.80 C +ATOM 23 CD2 LEU A 48 19.089 12.049 18.016 1.00 16.82 C +ATOM 24 N GLN A 49 23.516 14.998 16.864 1.00 12.62 N +ATOM 25 CA GLN A 49 24.105 15.987 15.952 1.00 12.39 C +ATOM 26 C GLN A 49 24.862 15.374 14.775 1.00 11.25 C +ATOM 27 O GLN A 49 25.025 16.029 13.730 1.00 11.27 O +ATOM 28 CB GLN A 49 25.027 16.949 16.698 1.00 13.06 C +ATOM 29 CG GLN A 49 24.347 17.731 17.798 1.00 17.04 C +ATOM 30 CD GLN A 49 23.300 18.710 17.280 1.00 20.38 C +ATOM 31 OE1 GLN A 49 23.401 19.238 16.163 1.00 22.99 O +ATOM 32 NE2 GLN A 49 22.281 18.963 18.100 1.00 22.20 N +ATOM 33 N SER A 50 25.311 14.130 14.944 1.00 10.96 N +ATOM 34 CA SER A 50 26.071 13.449 13.897 1.00 10.88 C +ATOM 35 C SER A 50 25.233 12.651 12.895 1.00 10.59 C +ATOM 36 O SER A 50 25.724 12.245 11.850 1.00 10.24 O +ATOM 37 CB SER A 50 27.160 12.597 14.522 1.00 11.79 C +ATOM 38 OG SER A 50 28.073 13.470 15.181 1.00 18.14 O +ATOM 39 N LEU A 51 23.946 12.472 13.196 1.00 9.90 N +ATOM 40 CA LEU A 51 23.108 11.606 12.370 1.00 10.62 C +ATOM 41 C LEU A 51 22.751 12.236 11.031 1.00 9.99 C +ATOM 42 O LEU A 51 22.535 13.436 10.967 1.00 9.84 O +ATOM 43 CB LEU A 51 21.816 11.259 13.109 1.00 10.38 C +ATOM 44 CG LEU A 51 22.016 10.433 14.373 1.00 11.02 C +ATOM 45 CD1 LEU A 51 20.667 10.162 15.020 1.00 10.66 C +ATOM 46 CD2 LEU A 51 22.737 9.134 14.082 1.00 13.99 C +ATOM 47 N PRO A 52 22.653 11.421 9.965 1.00 11.04 N +ATOM 48 CA PRO A 52 22.048 11.947 8.746 1.00 11.36 C +ATOM 49 C PRO A 52 20.611 12.441 9.022 1.00 10.99 C +ATOM 50 O PRO A 52 19.954 11.991 9.982 1.00 11.12 O +ATOM 51 CB PRO A 52 22.019 10.739 7.795 1.00 12.83 C +ATOM 52 CG PRO A 52 22.937 9.738 8.379 1.00 13.82 C +ATOM 53 CD PRO A 52 23.016 9.994 9.850 1.00 11.45 C +ATOM 54 N THR A 53 20.125 13.342 8.183 1.00 10.40 N +ATOM 55 CA THR A 53 18.782 13.923 8.311 1.00 10.61 C +ATOM 56 C THR A 53 17.684 12.909 8.678 1.00 9.89 C +ATOM 57 O THR A 53 16.937 13.108 9.646 1.00 9.59 O +ATOM 58 CB THR A 53 18.378 14.632 6.996 1.00 10.66 C +ATOM 59 OG1 THR A 53 19.313 15.693 6.739 1.00 14.33 O +ATOM 60 CG2 THR A 53 16.975 15.208 7.096 1.00 12.45 C +ATOM 61 N ARG A 54 17.572 11.837 7.893 1.00 8.84 N +ATOM 62 CA ARG A 54 16.489 10.877 8.066 1.00 9.24 C +ATOM 63 C ARG A 54 16.581 10.269 9.455 1.00 8.49 C +ATOM 64 O ARG A 54 15.578 10.203 10.170 1.00 8.11 O +ATOM 65 CB ARG A 54 16.569 9.792 6.998 1.00 9.63 C +ATOM 66 CG ARG A 54 15.452 8.769 7.088 1.00 11.07 C +ATOM 67 CD ARG A 54 15.697 7.716 6.053 1.00 12.53 C +ATOM 68 NE ARG A 54 14.719 6.623 6.067 1.00 13.95 N +ATOM 69 CZ ARG A 54 13.571 6.630 5.386 1.00 16.00 C +ATOM 70 NH1 ARG A 54 13.217 7.687 4.672 1.00 15.30 N +ATOM 71 NH2 ARG A 54 12.763 5.578 5.439 1.00 15.94 N +ATOM 72 N ALA A 55 17.762 9.792 9.827 1.00 8.21 N +ATOM 73 CA ALA A 55 17.981 9.204 11.140 1.00 7.16 C +ATOM 74 C ALA A 55 17.748 10.196 12.313 1.00 7.84 C +ATOM 75 O ALA A 55 17.199 9.837 13.365 1.00 7.23 O +ATOM 76 CB ALA A 55 19.386 8.597 11.206 1.00 7.72 C +ATOM 77 N TYR A 56 18.164 11.451 12.142 1.00 6.90 N +ATOM 78 CA TYR A 56 17.924 12.463 13.162 1.00 6.79 C +ATOM 79 C TYR A 56 16.423 12.613 13.433 1.00 5.04 C +ATOM 80 O TYR A 56 15.985 12.627 14.573 1.00 5.73 O +ATOM 81 CB TYR A 56 18.551 13.826 12.767 1.00 6.70 C +ATOM 82 CG TYR A 56 18.149 14.904 13.737 1.00 6.88 C +ATOM 83 CD1 TYR A 56 18.764 15.001 14.967 1.00 7.48 C +ATOM 84 CD2 TYR A 56 17.085 15.761 13.476 1.00 8.17 C +ATOM 85 CE1 TYR A 56 18.370 15.968 15.909 1.00 7.79 C +ATOM 86 CE2 TYR A 56 16.689 16.719 14.413 1.00 7.37 C +ATOM 87 CZ TYR A 56 17.336 16.818 15.615 1.00 8.41 C +ATOM 88 OH TYR A 56 16.911 17.738 16.549 1.00 10.31 O +ATOM 89 N LEU A 57 15.664 12.777 12.362 1.00 5.61 N +ATOM 90 CA LEU A 57 14.198 12.880 12.471 1.00 5.40 C +ATOM 91 C LEU A 57 13.570 11.610 13.069 1.00 5.70 C +ATOM 92 O LEU A 57 12.710 11.697 13.947 1.00 5.64 O +ATOM 93 CB LEU A 57 13.605 13.199 11.105 1.00 6.44 C +ATOM 94 CG LEU A 57 14.009 14.573 10.555 1.00 7.03 C +ATOM 95 CD1 LEU A 57 13.667 14.683 9.094 1.00 8.76 C +ATOM 96 CD2 LEU A 57 13.389 15.723 11.358 1.00 8.41 C +ATOM 97 N ASP A 58 14.098 10.451 12.676 1.00 5.79 N +ATOM 98 CA ASP A 58 13.641 9.167 13.202 1.00 5.87 C +ATOM 99 C ASP A 58 13.785 9.073 14.695 1.00 6.28 C +ATOM 100 O ASP A 58 12.920 8.503 15.375 1.00 7.02 O +ATOM 101 CB ASP A 58 14.422 8.018 12.563 1.00 6.90 C +ATOM 102 CG ASP A 58 13.861 7.595 11.232 1.00 8.31 C +ATOM 103 OD1 ASP A 58 12.930 8.259 10.714 1.00 9.15 O +ATOM 104 OD2 ASP A 58 14.356 6.575 10.704 1.00 9.05 O +ATOM 105 N GLN A 59 14.857 9.628 15.233 1.00 6.21 N +ATOM 106 CA GLN A 59 15.166 9.440 16.643 1.00 7.17 C +ATOM 107 C GLN A 59 14.688 10.590 17.511 1.00 8.04 C +ATOM 108 O GLN A 59 15.017 10.648 18.703 1.00 10.44 O +ATOM 109 CB GLN A 59 16.669 9.214 16.831 1.00 7.13 C +ATOM 110 CG GLN A 59 17.158 7.914 16.145 1.00 9.05 C +ATOM 111 CD GLN A 59 16.229 6.720 16.368 1.00 10.60 C +ATOM 112 OE1 GLN A 59 15.609 6.226 15.425 1.00 9.24 O +ATOM 113 NE2 GLN A 59 16.096 6.287 17.613 1.00 12.28 N +ATOM 114 N THR A 60 14.000 11.554 16.912 1.00 6.18 N +ATOM 115 CA THR A 60 13.464 12.685 17.658 1.00 6.38 C +ATOM 116 C THR A 60 11.945 12.790 17.544 1.00 5.61 C +ATOM 117 O THR A 60 11.272 12.861 18.569 1.00 6.34 O +ATOM 118 CB THR A 60 14.116 14.022 17.237 1.00 6.42 C +ATOM 119 OG1 THR A 60 13.995 14.169 15.824 1.00 5.89 O +ATOM 120 CG2 THR A 60 15.597 14.095 17.670 1.00 8.05 C +ATOM 121 N VAL A 61 11.415 12.805 16.326 1.00 5.12 N +ATOM 122 CA VAL A 61 10.011 13.160 16.136 1.00 5.18 C +ATOM 123 C VAL A 61 9.175 12.127 15.385 1.00 4.78 C +ATOM 124 O VAL A 61 7.954 12.165 15.480 1.00 5.01 O +ATOM 125 CB VAL A 61 9.848 14.566 15.465 1.00 5.21 C +ATOM 126 CG1 VAL A 61 10.391 15.672 16.379 1.00 7.24 C +ATOM 127 CG2 VAL A 61 10.489 14.641 14.083 1.00 7.37 C +ATOM 128 N VAL A 62 9.783 11.217 14.634 1.00 5.47 N +ATOM 129 CA VAL A 62 8.943 10.315 13.858 1.00 5.59 C +ATOM 130 C VAL A 62 7.965 9.485 14.719 1.00 5.04 C +ATOM 131 O VAL A 62 6.789 9.446 14.392 1.00 5.16 O +ATOM 132 CB VAL A 62 9.761 9.476 12.839 1.00 5.22 C +ATOM 133 CG1 VAL A 62 8.893 8.395 12.200 1.00 6.52 C +ATOM 134 CG2 VAL A 62 10.358 10.390 11.784 1.00 6.82 C +ATOM 135 N PRO A 63 8.420 8.876 15.822 1.00 5.08 N +ATOM 136 CA PRO A 63 7.467 8.064 16.598 1.00 5.16 C +ATOM 137 C PRO A 63 6.283 8.876 17.119 1.00 4.56 C +ATOM 138 O PRO A 63 5.139 8.456 16.956 1.00 5.17 O +ATOM 139 CB PRO A 63 8.331 7.502 17.746 1.00 5.81 C +ATOM 140 CG PRO A 63 9.684 7.382 17.135 1.00 6.44 C +ATOM 141 CD PRO A 63 9.797 8.668 16.309 1.00 4.91 C +ATOM 142 N ILE A 64 6.514 10.031 17.731 1.00 4.71 N +ATOM 143 CA ILE A 64 5.391 10.800 18.241 1.00 5.40 C +ATOM 144 C ILE A 64 4.511 11.285 17.102 1.00 5.15 C +ATOM 145 O ILE A 64 3.286 11.400 17.278 1.00 5.90 O +ATOM 146 CB ILE A 64 5.843 11.945 19.181 1.00 5.54 C +ATOM 147 CG1 ILE A 64 4.619 12.499 19.896 1.00 5.98 C +ATOM 148 CG2 ILE A 64 6.564 13.050 18.419 1.00 6.56 C +ATOM 149 CD1 ILE A 64 4.964 13.409 21.050 1.00 7.45 C +ATOM 150 N LEU A 65 5.092 11.570 15.935 1.00 5.27 N +ATOM 151 CA LEU A 65 4.272 11.954 14.796 1.00 5.49 C +ATOM 152 C LEU A 65 3.392 10.819 14.307 1.00 5.13 C +ATOM 153 O LEU A 65 2.248 11.059 13.923 1.00 6.07 O +ATOM 154 CB LEU A 65 5.114 12.490 13.637 1.00 5.78 C +ATOM 155 CG LEU A 65 5.711 13.887 13.888 1.00 4.96 C +ATOM 156 CD1 LEU A 65 6.763 14.217 12.812 1.00 7.34 C +ATOM 157 CD2 LEU A 65 4.659 14.944 13.972 1.00 6.44 C +ATOM 158 N LEU A 66 3.921 9.585 14.298 1.00 4.99 N +ATOM 159 CA LEU A 66 3.095 8.438 13.895 1.00 5.45 C +ATOM 160 C LEU A 66 1.886 8.316 14.826 1.00 4.68 C +ATOM 161 O LEU A 66 0.744 8.156 14.366 1.00 5.54 O +ATOM 162 CB LEU A 66 3.924 7.160 13.897 1.00 5.31 C +ATOM 163 CG LEU A 66 4.971 7.054 12.790 1.00 6.80 C +ATOM 164 CD1 LEU A 66 5.862 5.868 13.076 1.00 9.09 C +ATOM 165 CD2 LEU A 66 4.326 6.906 11.416 1.00 10.32 C +ATOM 166 N GLN A 67 2.131 8.407 16.128 1.00 5.08 N +ATOM 167 CA GLN A 67 1.028 8.293 17.061 1.00 5.57 C +ATOM 168 C GLN A 67 0.059 9.471 16.967 1.00 5.59 C +ATOM 169 O GLN A 67 -1.165 9.299 17.019 1.00 5.94 O +ATOM 170 CB GLN A 67 1.542 8.144 18.484 1.00 5.96 C +ATOM 171 CG GLN A 67 0.402 7.953 19.483 1.00 7.92 C +ATOM 172 CD GLN A 67 0.875 7.416 20.803 1.00 8.32 C +ATOM 173 OE1 GLN A 67 1.371 6.304 20.874 1.00 8.89 O +ATOM 174 NE2 GLN A 67 0.742 8.211 21.859 1.00 10.42 N +ATOM 175 N GLY A 68 0.595 10.681 16.839 1.00 5.90 N +ATOM 176 CA GLY A 68 -0.239 11.875 16.724 1.00 5.84 C +ATOM 177 C GLY A 68 -1.116 11.807 15.500 1.00 5.51 C +ATOM 178 O GLY A 68 -2.289 12.189 15.546 1.00 6.67 O +ATOM 187 N ALA A 70 -2.093 9.013 14.032 1.00 5.81 N +ATOM 188 CA ALA A 70 -3.110 7.979 14.322 1.00 6.38 C +ATOM 189 C ALA A 70 -4.320 8.604 15.009 1.00 7.15 C +ATOM 190 O ALA A 70 -5.474 8.379 14.612 1.00 7.61 O +ATOM 191 CB ALA A 70 -2.511 6.880 15.204 1.00 6.06 C +ATOM 192 N VAL A 71 -4.056 9.414 16.024 1.00 7.59 N +ATOM 193 CA VAL A 71 -5.120 10.032 16.801 1.00 8.74 C +ATOM 194 C VAL A 71 -5.854 11.087 15.950 1.00 8.94 C +ATOM 195 O VAL A 71 -7.089 11.151 15.917 1.00 9.19 O +ATOM 196 CB VAL A 71 -4.547 10.599 18.117 1.00 10.10 C +ATOM 197 CG1 VAL A 71 -5.619 11.374 18.887 1.00 11.79 C +ATOM 198 CG2 VAL A 71 -3.983 9.463 18.954 1.00 9.20 C +ATOM 199 N LEU A 72 -5.101 11.877 15.199 1.00 9.46 N +ATOM 200 CA LEU A 72 -5.690 12.813 14.258 1.00 11.07 C +ATOM 201 C LEU A 72 -6.627 12.121 13.255 1.00 12.04 C +ATOM 202 O LEU A 72 -7.729 12.630 12.948 1.00 13.44 O +ATOM 203 CB LEU A 72 -4.554 13.547 13.546 1.00 11.50 C +ATOM 204 CG LEU A 72 -4.923 14.611 12.541 1.00 12.34 C +ATOM 205 CD1 LEU A 72 -5.574 15.750 13.297 1.00 15.12 C +ATOM 206 CD2 LEU A 72 -3.692 15.094 11.802 1.00 13.76 C +ATOM 207 N ALA A 73 -6.201 10.969 12.743 1.00 12.32 N +ATOM 208 CA ALA A 73 -6.994 10.235 11.757 1.00 13.25 C +ATOM 209 C ALA A 73 -8.257 9.632 12.373 1.00 13.76 C +ATOM 210 O ALA A 73 -9.287 9.492 11.687 1.00 15.40 O +ATOM 211 CB ALA A 73 -6.175 9.145 11.108 1.00 13.05 C +ATOM 212 N LYS A 74 -8.183 9.247 13.645 1.00 13.56 N +ATOM 213 CA LYS A 74 -9.354 8.730 14.354 1.00 14.51 C +ATOM 214 C LYS A 74 -10.361 9.846 14.616 1.00 15.87 C +ATOM 215 O LYS A 74 -11.565 9.659 14.419 1.00 16.77 O +ATOM 216 CB LYS A 74 -8.925 8.074 15.669 1.00 14.55 C +ATOM 217 CG LYS A 74 -10.088 7.480 16.517 1.00 16.68 C +ATOM 218 CD LYS A 74 -10.763 6.267 15.869 1.00 20.04 C +ATOM 219 CE LYS A 74 -11.877 5.709 16.756 1.00 22.44 C +ATOM 220 NZ LYS A 74 -13.095 6.569 16.765 1.00 24.93 N +ATOM 221 N GLU A 75 -9.877 11.007 15.042 1.00 16.75 N +ATOM 222 CA GLU A 75 -10.753 12.064 15.539 1.00 18.69 C +ATOM 223 C GLU A 75 -11.224 13.061 14.476 1.00 19.15 C +ATOM 224 O GLU A 75 -12.319 13.617 14.602 1.00 19.18 O +ATOM 225 CB GLU A 75 -10.110 12.752 16.737 1.00 19.75 C +ATOM 226 CG GLU A 75 -9.925 11.782 17.905 1.00 22.71 C +ATOM 227 CD GLU A 75 -9.645 12.463 19.227 1.00 26.65 C +ATOM 228 OE1 GLU A 75 -9.847 13.694 19.331 1.00 28.32 O +ATOM 229 OE2 GLU A 75 -9.235 11.755 20.172 1.00 27.97 O +ATOM 230 N ARG A 76 -10.430 13.247 13.422 1.00 19.53 N +ATOM 231 CA ARG A 76 -10.787 14.099 12.275 1.00 20.34 C +ATOM 232 C ARG A 76 -11.283 15.494 12.723 1.00 20.53 C +ATOM 233 O ARG A 76 -12.367 15.938 12.330 1.00 20.36 O +ATOM 234 CB ARG A 76 -11.800 13.394 11.333 1.00 20.66 C +ATOM 235 CG ARG A 76 -11.506 11.917 11.002 1.00 21.52 C +ATOM 236 CD ARG A 76 -10.603 11.696 9.775 1.00 21.18 C +ATOM 237 NE ARG A 76 -11.150 12.294 8.551 1.00 22.23 N +ATOM 238 CZ ARG A 76 -11.014 11.799 7.323 1.00 20.02 C +ATOM 239 NH1 ARG A 76 -10.370 10.655 7.108 1.00 19.02 N +ATOM 240 NH2 ARG A 76 -11.550 12.448 6.294 1.00 20.22 N +ATOM 241 N PRO A 77 -10.473 16.197 13.539 1.00 20.78 N +ATOM 242 CA PRO A 77 -10.874 17.483 14.112 1.00 20.97 C +ATOM 243 C PRO A 77 -10.891 18.613 13.070 1.00 20.86 C +ATOM 244 O PRO A 77 -10.282 18.479 12.003 1.00 21.31 O +ATOM 245 CB PRO A 77 -9.792 17.737 15.168 1.00 21.01 C +ATOM 246 CG PRO A 77 -8.583 17.103 14.604 1.00 21.05 C +ATOM 247 CD PRO A 77 -9.064 15.879 13.856 1.00 20.45 C +ATOM 248 N PRO A 78 -11.595 19.721 13.371 1.00 21.31 N +ATOM 249 CA PRO A 78 -11.714 20.819 12.403 1.00 21.03 C +ATOM 250 C PRO A 78 -10.403 21.579 12.179 1.00 20.54 C +ATOM 251 O PRO A 78 -10.234 22.228 11.150 1.00 21.20 O +ATOM 252 CB PRO A 78 -12.760 21.740 13.046 1.00 21.37 C +ATOM 253 CG PRO A 78 -12.644 21.477 14.519 1.00 21.09 C +ATOM 254 CD PRO A 78 -12.290 20.016 14.642 1.00 21.57 C +ATOM 255 N ASN A 79 -9.479 21.471 13.131 1.00 19.44 N +ATOM 256 CA ASN A 79 -8.221 22.208 13.108 1.00 18.32 C +ATOM 257 C ASN A 79 -7.037 21.239 13.197 1.00 16.57 C +ATOM 258 O ASN A 79 -6.354 21.202 14.217 1.00 15.62 O +ATOM 259 CB ASN A 79 -8.179 23.154 14.304 1.00 19.01 C +ATOM 260 CG ASN A 79 -8.311 22.412 15.637 1.00 21.27 C +ATOM 261 OD1 ASN A 79 -8.981 21.372 15.731 1.00 23.70 O +ATOM 262 ND2 ASN A 79 -7.654 22.937 16.669 1.00 24.00 N +ATOM 263 N PRO A 80 -6.797 20.456 12.132 1.00 15.19 N +ATOM 264 CA PRO A 80 -5.841 19.347 12.244 1.00 14.00 C +ATOM 265 C PRO A 80 -4.402 19.761 12.628 1.00 12.94 C +ATOM 266 O PRO A 80 -3.769 19.085 13.450 1.00 11.69 O +ATOM 267 CB PRO A 80 -5.887 18.695 10.854 1.00 13.97 C +ATOM 268 CG PRO A 80 -6.493 19.714 9.953 1.00 15.70 C +ATOM 269 CD PRO A 80 -7.448 20.480 10.810 1.00 15.75 C +ATOM 270 N ILE A 81 -3.881 20.856 12.063 1.00 11.51 N +ATOM 271 CA ILE A 81 -2.497 21.236 12.371 1.00 10.87 C +ATOM 272 C ILE A 81 -2.354 21.658 13.827 1.00 10.93 C +ATOM 273 O ILE A 81 -1.437 21.225 14.524 1.00 10.78 O +ATOM 274 CB ILE A 81 -1.966 22.345 11.459 1.00 10.90 C +ATOM 275 CG1 ILE A 81 -1.923 21.870 10.008 1.00 10.78 C +ATOM 276 CG2 ILE A 81 -0.576 22.775 11.945 1.00 11.31 C +ATOM 277 CD1 ILE A 81 -1.622 22.969 8.999 1.00 10.15 C +ATOM 278 N GLU A 82 -3.281 22.492 14.279 1.00 11.75 N +ATOM 279 CA GLU A 82 -3.323 22.898 15.665 1.00 12.58 C +ATOM 280 C GLU A 82 -3.494 21.702 16.614 1.00 12.09 C +ATOM 281 O GLU A 82 -2.809 21.605 17.633 1.00 12.66 O +ATOM 282 CB GLU A 82 -4.434 23.930 15.869 1.00 13.35 C +ATOM 283 CG GLU A 82 -4.415 24.562 17.231 1.00 16.54 C +ATOM 284 CD GLU A 82 -5.432 25.673 17.362 1.00 21.19 C +ATOM 285 OE1 GLU A 82 -6.320 25.780 16.484 1.00 23.83 O +ATOM 286 OE2 GLU A 82 -5.339 26.439 18.343 1.00 24.57 O +ATOM 287 N PHE A 83 -4.423 20.814 16.275 1.00 11.59 N +ATOM 288 CA PHE A 83 -4.643 19.593 17.031 1.00 11.14 C +ATOM 289 C PHE A 83 -3.331 18.804 17.156 1.00 9.66 C +ATOM 290 O PHE A 83 -2.975 18.360 18.248 1.00 9.76 O +ATOM 291 CB PHE A 83 -5.713 18.723 16.354 1.00 11.73 C +ATOM 292 CG PHE A 83 -6.027 17.453 17.105 1.00 12.95 C +ATOM 293 CD1 PHE A 83 -7.143 17.385 17.946 1.00 15.60 C +ATOM 294 CD2 PHE A 83 -5.211 16.325 16.978 1.00 14.57 C +ATOM 295 CE1 PHE A 83 -7.447 16.207 18.639 1.00 16.44 C +ATOM 296 CE2 PHE A 83 -5.500 15.146 17.672 1.00 16.49 C +ATOM 297 CZ PHE A 83 -6.616 15.081 18.498 1.00 17.13 C +ATOM 298 N LEU A 84 -2.637 18.631 16.037 1.00 9.19 N +ATOM 299 CA LEU A 84 -1.382 17.874 16.078 1.00 9.30 C +ATOM 300 C LEU A 84 -0.313 18.538 16.956 1.00 8.94 C +ATOM 301 O LEU A 84 0.389 17.873 17.724 1.00 9.72 O +ATOM 302 CB LEU A 84 -0.852 17.622 14.673 1.00 9.60 C +ATOM 303 CG LEU A 84 0.397 16.737 14.555 1.00 9.77 C +ATOM 304 CD1 LEU A 84 0.168 15.348 15.170 1.00 10.05 C +ATOM 305 CD2 LEU A 84 0.783 16.626 13.111 1.00 12.52 C +ATOM 306 N ALA A 85 -0.198 19.859 16.848 1.00 9.86 N +ATOM 307 CA ALA A 85 0.738 20.601 17.689 1.00 10.46 C +ATOM 308 C ALA A 85 0.441 20.436 19.171 1.00 10.66 C +ATOM 309 O ALA A 85 1.345 20.166 19.968 1.00 10.28 O +ATOM 310 CB ALA A 85 0.740 22.052 17.297 1.00 10.84 C +ATOM 311 N SER A 86 -0.828 20.587 19.540 1.00 11.49 N +ATOM 312 CA SER A 86 -1.248 20.356 20.920 1.00 12.38 C +ATOM 313 C SER A 86 -0.964 18.929 21.384 1.00 11.64 C +ATOM 314 O SER A 86 -0.541 18.709 22.524 1.00 11.35 O +ATOM 315 CB SER A 86 -2.740 20.658 21.081 1.00 12.96 C +ATOM 316 OG SER A 86 -3.024 22.001 20.706 1.00 18.05 O +ATOM 317 N TYR A 87 -1.186 17.966 20.487 1.00 10.58 N +ATOM 318 CA TYR A 87 -0.945 16.554 20.792 1.00 10.46 C +ATOM 319 C TYR A 87 0.520 16.316 21.124 1.00 9.93 C +ATOM 320 O TYR A 87 0.848 15.625 22.101 1.00 9.35 O +ATOM 321 CB TYR A 87 -1.372 15.654 19.629 1.00 11.11 C +ATOM 322 CG TYR A 87 -1.355 14.204 20.055 1.00 10.92 C +ATOM 323 CD1 TYR A 87 -2.503 13.601 20.581 1.00 11.00 C +ATOM 324 CD2 TYR A 87 -0.180 13.461 20.001 1.00 10.64 C +ATOM 325 CE1 TYR A 87 -2.464 12.277 21.040 1.00 11.58 C +ATOM 326 CE2 TYR A 87 -0.126 12.156 20.438 1.00 10.17 C +ATOM 327 CZ TYR A 87 -1.268 11.565 20.954 1.00 10.50 C +ATOM 328 OH TYR A 87 -1.165 10.262 21.389 1.00 11.83 O +ATOM 329 N LEU A 88 1.403 16.904 20.317 1.00 9.67 N +ATOM 330 CA LEU A 88 2.830 16.771 20.543 1.00 10.08 C +ATOM 331 C LEU A 88 3.240 17.321 21.902 1.00 10.58 C +ATOM 332 O LEU A 88 3.977 16.687 22.655 1.00 11.06 O +ATOM 333 CB LEU A 88 3.646 17.406 19.411 1.00 9.37 C +ATOM 334 CG LEU A 88 4.163 16.387 18.367 1.00 11.59 C +ATOM 335 CD1 LEU A 88 3.059 15.576 17.681 1.00 13.36 C +ATOM 336 CD2 LEU A 88 5.088 17.062 17.353 1.00 14.61 C +ATOM 337 N LEU A 89 2.724 18.502 22.234 1.00 11.90 N +ATOM 338 CA LEU A 89 3.066 19.120 23.514 1.00 13.68 C +ATOM 339 C LEU A 89 2.544 18.311 24.692 1.00 14.61 C +ATOM 340 O LEU A 89 3.234 18.153 25.697 1.00 15.84 O +ATOM 341 CB LEU A 89 2.580 20.573 23.568 1.00 14.50 C +ATOM 342 CG LEU A 89 3.216 21.492 22.523 1.00 16.51 C +ATOM 343 CD1 LEU A 89 2.468 22.811 22.435 1.00 19.81 C +ATOM 344 CD2 LEU A 89 4.684 21.731 22.788 1.00 17.72 C +ATOM 345 N LYS A 90 1.332 17.784 24.557 1.00 14.99 N +ATOM 346 CA LYS A 90 0.709 17.009 25.629 1.00 15.89 C +ATOM 347 C LYS A 90 1.400 15.659 25.866 1.00 15.57 C +ATOM 348 O LYS A 90 1.508 15.197 27.009 1.00 16.75 O +ATOM 349 CB LYS A 90 -0.790 16.811 25.350 1.00 16.53 C +ATOM 350 CG LYS A 90 -1.526 16.038 26.449 1.00 18.95 C +ATOM 351 CD LYS A 90 -3.035 16.084 26.277 1.00 23.50 C +ATOM 352 CE LYS A 90 -3.730 15.228 27.328 1.00 25.61 C +ATOM 353 NZ LYS A 90 -3.599 13.770 27.046 1.00 27.55 N +ATOM 354 N ASN A 91 1.873 15.029 24.790 1.00 14.37 N +ATOM 355 CA ASN A 91 2.313 13.641 24.847 1.00 13.45 C +ATOM 356 C ASN A 91 3.804 13.414 24.710 1.00 13.28 C +ATOM 357 O ASN A 91 4.262 12.273 24.578 1.00 12.55 O +ATOM 358 CB ASN A 91 1.572 12.835 23.779 1.00 12.57 C +ATOM 359 CG ASN A 91 0.132 12.637 24.123 1.00 14.74 C +ATOM 360 OD1 ASN A 91 -0.202 11.729 24.888 1.00 17.06 O +ATOM 361 ND2 ASN A 91 -0.741 13.481 23.570 1.00 13.77 N +ATOM 362 N LYS A 92 4.567 14.499 24.769 1.00 13.14 N +ATOM 363 CA LYS A 92 6.006 14.437 24.511 1.00 13.94 C +ATOM 364 C LYS A 92 6.769 13.519 25.470 1.00 14.40 C +ATOM 365 O LYS A 92 7.714 12.850 25.057 1.00 14.30 O +ATOM 366 CB LYS A 92 6.615 15.842 24.489 1.00 14.04 C +ATOM 367 CG LYS A 92 6.448 16.614 25.783 1.00 15.66 C +ATOM 368 CD LYS A 92 7.053 18.011 25.689 1.00 17.93 C +ATOM 369 CE LYS A 92 7.019 18.689 27.066 1.00 19.94 C +ATOM 370 NZ LYS A 92 8.043 19.759 27.175 1.00 20.58 N +ATOM 371 N ALA A 93 6.337 13.458 26.732 1.00 15.29 N +ATOM 372 CA ALA A 93 7.006 12.605 27.730 1.00 15.65 C +ATOM 373 C ALA A 93 7.073 11.128 27.334 1.00 15.77 C +ATOM 374 O ALA A 93 8.054 10.446 27.643 1.00 17.20 O +ATOM 375 CB ALA A 93 6.359 12.750 29.098 1.00 16.22 C +ATOM 376 N GLN A 94 6.045 10.641 26.637 1.00 15.35 N +ATOM 377 CA GLN A 94 6.029 9.249 26.150 1.00 15.50 C +ATOM 378 C GLN A 94 7.129 8.954 25.131 1.00 14.91 C +ATOM 379 O GLN A 94 7.511 7.800 24.945 1.00 15.12 O +ATOM 380 CB GLN A 94 4.684 8.901 25.506 1.00 16.45 C +ATOM 381 CG GLN A 94 3.466 9.034 26.393 1.00 19.36 C +ATOM 382 CD GLN A 94 2.173 8.916 25.603 1.00 22.08 C +ATOM 383 OE1 GLN A 94 2.062 8.092 24.674 1.00 22.53 O +ATOM 384 NE2 GLN A 94 1.189 9.747 25.956 1.00 22.49 N +ATOM 385 N PHE A 95 7.615 9.994 24.458 1.00 13.33 N +ATOM 386 CA PHE A 95 8.539 9.826 23.334 1.00 13.74 C +ATOM 387 C PHE A 95 9.915 10.441 23.561 1.00 16.07 C +ATOM 388 O PHE A 95 10.761 10.455 22.670 1.00 16.34 O +ATOM 389 CB PHE A 95 7.859 10.264 22.033 1.00 11.93 C +ATOM 390 CG PHE A 95 6.707 9.364 21.655 1.00 10.21 C +ATOM 391 CD1 PHE A 95 6.934 8.188 20.972 1.00 9.01 C +ATOM 392 CD2 PHE A 95 5.410 9.674 22.046 1.00 8.40 C +ATOM 393 CE1 PHE A 95 5.869 7.342 20.642 1.00 10.72 C +ATOM 394 CE2 PHE A 95 4.332 8.833 21.725 1.00 10.44 C +ATOM 395 CZ PHE A 95 4.562 7.666 21.029 1.00 10.14 C +ATOM 396 N GLU A 96 10.080 10.934 24.790 1.00 18.77 N +ATOM 397 CA GLU A 96 11.343 11.256 25.482 1.00 22.26 C +ATOM 398 C GLU A 96 11.607 12.753 25.720 1.00 23.57 C +ATOM 399 O GLU A 96 12.603 13.110 26.360 1.00 24.84 O +ATOM 400 CB GLU A 96 12.569 10.447 24.993 1.00 22.93 C +ATOM 401 CG GLU A 96 13.757 10.506 25.970 1.00 25.08 C +ATOM 402 CD GLU A 96 14.745 9.357 25.851 1.00 28.72 C +ATOM 403 OE1 GLU A 96 15.349 9.175 24.769 1.00 30.47 O +ATOM 404 OE2 GLU A 96 14.950 8.656 26.870 1.00 29.71 O +ATOM 405 N ASP A 97 10.711 13.624 25.246 1.00 24.68 N +ATOM 406 CA ASP A 97 10.720 15.023 25.698 1.00 26.46 C +ATOM 407 C ASP A 97 9.874 15.181 26.944 1.00 26.29 C +ATOM 408 O ASP A 97 9.252 16.216 27.144 1.00 27.95 O +ATOM 409 CB ASP A 97 10.285 16.008 24.602 1.00 26.58 C +ATOM 410 CG ASP A 97 11.165 15.922 23.369 1.00 28.85 C +ATOM 411 OD1 ASP A 97 11.382 14.779 22.897 1.00 32.92 O +ATOM 412 OD2 ASP A 97 11.637 16.963 22.854 1.00 27.60 O +ATOM 414 N VAL C 46 -10.590 19.764 -1.304 1.00 33.15 N +ATOM 415 CA VAL C 46 -11.695 20.652 -0.832 1.00 33.20 C +ATOM 416 C VAL C 46 -12.583 19.900 0.164 1.00 32.97 C +ATOM 417 O VAL C 46 -12.641 20.265 1.341 1.00 32.92 O +ATOM 418 CB VAL C 46 -12.510 21.255 -2.020 1.00 33.49 C +ATOM 419 CG1 VAL C 46 -13.827 21.866 -1.544 1.00 33.71 C +ATOM 420 CG2 VAL C 46 -11.686 22.306 -2.746 1.00 33.44 C +ATOM 421 N ASP C 47 -13.251 18.848 -0.310 1.00 32.67 N +ATOM 422 CA ASP C 47 -14.081 18.007 0.548 1.00 32.29 C +ATOM 423 C ASP C 47 -13.218 16.968 1.264 1.00 31.70 C +ATOM 424 O ASP C 47 -13.021 15.850 0.770 1.00 31.46 O +ATOM 425 CB ASP C 47 -15.203 17.336 -0.255 1.00 32.64 C +ATOM 426 CG ASP C 47 -16.124 16.481 0.611 1.00 33.67 C +ATOM 427 OD1 ASP C 47 -16.193 16.709 1.842 1.00 34.44 O +ATOM 428 OD2 ASP C 47 -16.787 15.577 0.054 1.00 35.15 O +ATOM 429 N LEU C 48 -12.710 17.359 2.433 1.00 30.82 N +ATOM 430 CA LEU C 48 -11.852 16.501 3.255 1.00 30.14 C +ATOM 431 C LEU C 48 -12.565 15.237 3.735 1.00 29.56 C +ATOM 432 O LEU C 48 -11.920 14.202 3.949 1.00 28.96 O +ATOM 433 CB LEU C 48 -11.313 17.279 4.459 1.00 30.33 C +ATOM 434 CG LEU C 48 -10.316 18.426 4.253 1.00 30.57 C +ATOM 435 CD1 LEU C 48 -9.992 19.047 5.596 1.00 30.75 C +ATOM 436 CD2 LEU C 48 -9.042 17.964 3.555 1.00 29.69 C +ATOM 437 N GLN C 49 -13.888 15.331 3.901 1.00 28.73 N +ATOM 438 CA GLN C 49 -14.716 14.210 4.363 1.00 28.02 C +ATOM 439 C GLN C 49 -14.688 13.026 3.391 1.00 26.58 C +ATOM 440 O GLN C 49 -14.907 11.882 3.792 1.00 26.55 O +ATOM 441 CB GLN C 49 -16.158 14.664 4.613 1.00 28.67 C +ATOM 442 CG GLN C 49 -16.290 15.795 5.635 1.00 31.00 C +ATOM 443 CD GLN C 49 -17.733 16.206 5.891 1.00 34.25 C +ATOM 444 OE1 GLN C 49 -18.564 16.227 4.976 1.00 36.35 O +ATOM 445 NE2 GLN C 49 -18.036 16.544 7.142 1.00 35.03 N +ATOM 446 N SER C 50 -14.398 13.302 2.121 1.00 24.76 N +ATOM 447 CA SER C 50 -14.266 12.251 1.117 1.00 23.28 C +ATOM 448 C SER C 50 -12.885 11.578 1.102 1.00 21.57 C +ATOM 449 O SER C 50 -12.677 10.624 0.345 1.00 21.42 O +ATOM 450 CB SER C 50 -14.596 12.795 -0.280 1.00 23.56 C +ATOM 451 OG SER C 50 -13.589 13.681 -0.753 1.00 24.33 O +ATOM 452 N LEU C 51 -11.951 12.072 1.920 1.00 19.57 N +ATOM 453 CA LEU C 51 -10.577 11.562 1.909 1.00 17.51 C +ATOM 454 C LEU C 51 -10.343 10.534 3.016 1.00 15.45 C +ATOM 455 O LEU C 51 -10.506 10.838 4.205 1.00 15.67 O +ATOM 456 CB LEU C 51 -9.556 12.706 2.000 1.00 17.88 C +ATOM 457 CG LEU C 51 -9.631 13.785 0.901 1.00 17.95 C +ATOM 458 CD1 LEU C 51 -8.628 14.899 1.187 1.00 18.81 C +ATOM 459 CD2 LEU C 51 -9.416 13.209 -0.506 1.00 20.26 C +ATOM 460 N PRO C 52 -9.969 9.297 2.637 1.00 14.10 N +ATOM 461 CA PRO C 52 -9.612 8.314 3.673 1.00 12.46 C +ATOM 462 C PRO C 52 -8.313 8.692 4.417 1.00 11.15 C +ATOM 463 O PRO C 52 -7.578 9.565 3.955 1.00 11.61 O +ATOM 464 CB PRO C 52 -9.452 7.003 2.878 1.00 12.37 C +ATOM 465 CG PRO C 52 -10.130 7.269 1.543 1.00 13.76 C +ATOM 466 CD PRO C 52 -9.885 8.718 1.286 1.00 13.70 C +ATOM 467 N THR C 53 -8.050 8.025 5.546 1.00 9.80 N +ATOM 468 CA THR C 53 -6.916 8.314 6.435 1.00 8.51 C +ATOM 469 C THR C 53 -5.680 8.849 5.748 1.00 8.95 C +ATOM 470 O THR C 53 -5.222 9.951 6.088 1.00 9.26 O +ATOM 471 CB THR C 53 -6.507 7.068 7.257 1.00 7.74 C +ATOM 472 OG1 THR C 53 -7.595 6.727 8.113 1.00 8.92 O +ATOM 473 CG2 THR C 53 -5.252 7.338 8.105 1.00 7.62 C +ATOM 474 N ARG C 54 -5.114 8.101 4.807 1.00 9.44 N +ATOM 475 CA ARG C 54 -3.844 8.513 4.195 1.00 10.42 C +ATOM 476 C ARG C 54 -3.981 9.787 3.364 1.00 11.21 C +ATOM 477 O ARG C 54 -3.190 10.723 3.537 1.00 11.16 O +ATOM 478 CB ARG C 54 -3.214 7.376 3.399 1.00 10.00 C +ATOM 479 CG ARG C 54 -2.621 6.295 4.306 1.00 10.31 C +ATOM 480 CD ARG C 54 -2.172 5.092 3.484 1.00 13.77 C +ATOM 481 NE ARG C 54 -3.317 4.316 2.999 1.00 16.28 N +ATOM 482 CZ ARG C 54 -3.258 3.139 2.362 1.00 19.16 C +ATOM 483 NH1 ARG C 54 -2.085 2.587 2.064 1.00 20.60 N +ATOM 484 NH2 ARG C 54 -4.386 2.522 1.994 1.00 22.25 N +ATOM 485 N ALA C 55 -4.994 9.858 2.504 1.00 12.26 N +ATOM 486 CA ALA C 55 -5.244 11.087 1.726 1.00 13.40 C +ATOM 487 C ALA C 55 -5.500 12.272 2.647 1.00 13.43 C +ATOM 488 O ALA C 55 -5.014 13.379 2.386 1.00 13.75 O +ATOM 489 CB ALA C 55 -6.418 10.897 0.785 1.00 13.87 C +ATOM 490 N TYR C 56 -6.274 12.042 3.707 1.00 12.52 N +ATOM 491 CA TYR C 56 -6.616 13.051 4.697 1.00 12.97 C +ATOM 492 C TYR C 56 -5.379 13.627 5.368 1.00 12.05 C +ATOM 493 O TYR C 56 -5.248 14.853 5.499 1.00 12.94 O +ATOM 494 CB TYR C 56 -7.565 12.478 5.750 1.00 12.85 C +ATOM 495 CG TYR C 56 -7.834 13.408 6.890 1.00 14.66 C +ATOM 496 CD1 TYR C 56 -8.716 14.480 6.740 1.00 15.71 C +ATOM 497 CD2 TYR C 56 -7.192 13.245 8.113 1.00 15.23 C +ATOM 498 CE1 TYR C 56 -8.960 15.347 7.781 1.00 16.57 C +ATOM 499 CE2 TYR C 56 -7.431 14.112 9.168 1.00 15.47 C +ATOM 500 CZ TYR C 56 -8.321 15.161 8.990 1.00 16.47 C +ATOM 501 OH TYR C 56 -8.560 16.024 10.028 1.00 18.39 O +ATOM 502 N LEU C 57 -4.488 12.744 5.817 1.00 10.81 N +ATOM 503 CA LEU C 57 -3.265 13.181 6.481 1.00 10.69 C +ATOM 504 C LEU C 57 -2.398 13.936 5.488 1.00 11.63 C +ATOM 505 O LEU C 57 -1.843 14.981 5.833 1.00 11.03 O +ATOM 506 CB LEU C 57 -2.521 11.986 7.085 1.00 10.29 C +ATOM 507 CG LEU C 57 -3.198 11.366 8.324 1.00 8.00 C +ATOM 508 CD1 LEU C 57 -2.534 10.023 8.700 1.00 10.96 C +ATOM 509 CD2 LEU C 57 -3.241 12.305 9.547 1.00 8.38 C +ATOM 510 N ASP C 58 -2.309 13.421 4.262 1.00 12.37 N +ATOM 511 CA ASP C 58 -1.504 14.005 3.198 1.00 14.15 C +ATOM 512 C ASP C 58 -1.960 15.413 2.879 1.00 14.20 C +ATOM 513 O ASP C 58 -1.142 16.264 2.535 1.00 15.51 O +ATOM 514 CB ASP C 58 -1.623 13.156 1.927 1.00 14.47 C +ATOM 515 CG ASP C 58 -0.855 11.840 2.014 1.00 19.27 C +ATOM 516 OD1 ASP C 58 0.165 11.749 2.738 1.00 21.72 O +ATOM 517 OD2 ASP C 58 -1.274 10.870 1.346 1.00 23.05 O +ATOM 518 N GLN C 59 -3.261 15.659 2.973 1.00 14.23 N +ATOM 519 CA GLN C 59 -3.813 16.947 2.571 1.00 15.36 C +ATOM 520 C GLN C 59 -3.682 17.957 3.713 1.00 14.98 C +ATOM 521 O GLN C 59 -3.402 19.137 3.470 1.00 15.99 O +ATOM 522 CB GLN C 59 -5.265 16.794 2.086 1.00 15.78 C +ATOM 523 CG GLN C 59 -5.971 18.111 1.689 1.00 19.37 C +ATOM 524 CD GLN C 59 -5.417 18.800 0.417 1.00 21.00 C +ATOM 525 OE1 GLN C 59 -4.424 18.365 -0.186 1.00 23.32 O +ATOM 526 NE2 GLN C 59 -6.071 19.893 0.019 1.00 22.72 N +ATOM 527 N THR C 60 -3.814 17.484 4.954 1.00 13.25 N +ATOM 528 CA THR C 60 -3.941 18.357 6.129 1.00 12.18 C +ATOM 529 C THR C 60 -2.630 18.679 6.857 1.00 11.16 C +ATOM 530 O THR C 60 -2.368 19.847 7.197 1.00 10.99 O +ATOM 531 CB THR C 60 -4.961 17.820 7.157 1.00 11.72 C +ATOM 532 OG1 THR C 60 -4.532 16.532 7.647 1.00 12.51 O +ATOM 533 CG2 THR C 60 -6.365 17.716 6.528 1.00 13.81 C +ATOM 534 N VAL C 61 -1.814 17.655 7.119 1.00 10.60 N +ATOM 535 CA VAL C 61 -0.610 17.830 7.939 1.00 10.02 C +ATOM 536 C VAL C 61 0.722 17.481 7.280 1.00 10.26 C +ATOM 537 O VAL C 61 1.749 18.005 7.697 1.00 9.46 O +ATOM 538 CB VAL C 61 -0.733 17.150 9.340 1.00 9.73 C +ATOM 539 CG1 VAL C 61 -1.897 17.766 10.148 1.00 10.12 C +ATOM 540 CG2 VAL C 61 -0.832 15.608 9.220 1.00 9.34 C +ATOM 541 N VAL C 62 0.738 16.623 6.259 1.00 9.82 N +ATOM 542 CA VAL C 62 2.033 16.219 5.693 1.00 9.85 C +ATOM 543 C VAL C 62 2.833 17.402 5.107 1.00 9.71 C +ATOM 544 O VAL C 62 4.034 17.494 5.345 1.00 9.51 O +ATOM 545 CB VAL C 62 1.950 15.012 4.707 1.00 9.80 C +ATOM 546 CG1 VAL C 62 3.280 14.780 4.010 1.00 12.10 C +ATOM 547 CG2 VAL C 62 1.548 13.745 5.477 1.00 10.49 C +ATOM 548 N PRO C 63 2.175 18.318 4.365 1.00 10.33 N +ATOM 549 CA PRO C 63 2.975 19.401 3.769 1.00 10.54 C +ATOM 550 C PRO C 63 3.707 20.242 4.817 1.00 9.86 C +ATOM 551 O PRO C 63 4.916 20.465 4.671 1.00 9.88 O +ATOM 552 CB PRO C 63 1.930 20.215 3.007 1.00 10.82 C +ATOM 553 CG PRO C 63 0.883 19.207 2.646 1.00 10.74 C +ATOM 554 CD PRO C 63 0.781 18.339 3.876 1.00 10.62 C +ATOM 555 N ILE C 64 3.010 20.668 5.867 1.00 8.74 N +ATOM 556 CA ILE C 64 3.665 21.483 6.887 1.00 8.88 C +ATOM 557 C ILE C 64 4.665 20.640 7.695 1.00 8.70 C +ATOM 558 O ILE C 64 5.683 21.152 8.155 1.00 8.73 O +ATOM 559 CB ILE C 64 2.657 22.192 7.813 1.00 8.87 C +ATOM 560 CG1 ILE C 64 3.405 23.244 8.641 1.00 9.75 C +ATOM 561 CG2 ILE C 64 1.928 21.198 8.708 1.00 9.00 C +ATOM 562 CD1 ILE C 64 2.508 24.143 9.462 1.00 10.92 C +ATOM 563 N LEU C 65 4.374 19.353 7.868 1.00 8.23 N +ATOM 564 CA LEU C 65 5.336 18.481 8.532 1.00 7.90 C +ATOM 565 C LEU C 65 6.631 18.366 7.754 1.00 8.54 C +ATOM 566 O LEU C 65 7.694 18.383 8.353 1.00 9.00 O +ATOM 567 CB LEU C 65 4.761 17.079 8.822 1.00 8.32 C +ATOM 568 CG LEU C 65 3.797 17.070 10.002 1.00 7.60 C +ATOM 569 CD1 LEU C 65 3.092 15.740 10.092 1.00 9.13 C +ATOM 570 CD2 LEU C 65 4.500 17.384 11.332 1.00 9.59 C +ATOM 571 N LEU C 66 6.569 18.243 6.427 1.00 8.57 N +ATOM 572 CA LEU C 66 7.793 18.136 5.635 1.00 9.95 C +ATOM 573 C LEU C 66 8.625 19.400 5.791 1.00 9.73 C +ATOM 574 O LEU C 66 9.848 19.352 5.947 1.00 9.80 O +ATOM 575 CB LEU C 66 7.462 17.865 4.159 1.00 10.74 C +ATOM 576 CG LEU C 66 7.004 16.445 3.798 1.00 12.21 C +ATOM 577 CD1 LEU C 66 6.538 16.363 2.343 1.00 14.90 C +ATOM 578 CD2 LEU C 66 8.109 15.422 4.056 1.00 14.09 C +ATOM 579 N GLN C 67 7.950 20.544 5.745 1.00 9.78 N +ATOM 580 CA GLN C 67 8.622 21.835 5.868 1.00 10.56 C +ATOM 581 C GLN C 67 9.246 22.017 7.265 1.00 9.44 C +ATOM 582 O GLN C 67 10.405 22.404 7.392 1.00 8.74 O +ATOM 583 CB GLN C 67 7.635 22.956 5.570 1.00 11.51 C +ATOM 584 CG GLN C 67 8.276 24.312 5.367 1.00 15.16 C +ATOM 585 CD GLN C 67 7.259 25.381 5.008 1.00 18.39 C +ATOM 586 OE1 GLN C 67 6.768 25.427 3.876 1.00 19.81 O +ATOM 587 NE2 GLN C 67 6.928 26.236 5.971 1.00 18.70 N +ATOM 588 N GLY C 68 8.474 21.714 8.304 1.00 8.14 N +ATOM 589 CA GLY C 68 8.925 21.837 9.688 1.00 7.74 C +ATOM 590 C GLY C 68 10.023 20.859 10.026 1.00 7.75 C +ATOM 591 O GLY C 68 10.970 21.196 10.727 1.00 7.99 O +ATOM 600 N ALA C 70 12.201 19.689 7.877 1.00 8.47 N +ATOM 601 CA ALA C 70 13.431 20.143 7.232 1.00 9.40 C +ATOM 602 C ALA C 70 14.107 21.213 8.077 1.00 9.10 C +ATOM 603 O ALA C 70 15.313 21.179 8.259 1.00 10.24 O +ATOM 604 CB ALA C 70 13.148 20.640 5.822 1.00 10.03 C +ATOM 605 N VAL C 71 13.320 22.139 8.609 1.00 8.55 N +ATOM 606 CA VAL C 71 13.863 23.178 9.479 1.00 9.49 C +ATOM 607 C VAL C 71 14.446 22.539 10.746 1.00 9.10 C +ATOM 608 O VAL C 71 15.580 22.830 11.124 1.00 9.49 O +ATOM 609 CB VAL C 71 12.811 24.243 9.838 1.00 10.17 C +ATOM 610 CG1 VAL C 71 13.377 25.192 10.886 1.00 10.73 C +ATOM 611 CG2 VAL C 71 12.393 25.022 8.590 1.00 11.82 C +ATOM 612 N LEU C 72 13.691 21.626 11.368 1.00 8.53 N +ATOM 613 CA LEU C 72 14.165 20.941 12.537 1.00 8.42 C +ATOM 614 C LEU C 72 15.506 20.242 12.300 1.00 8.33 C +ATOM 615 O LEU C 72 16.406 20.283 13.139 1.00 8.57 O +ATOM 616 CB LEU C 72 13.104 19.937 12.982 1.00 8.47 C +ATOM 617 CG LEU C 72 13.453 19.047 14.170 1.00 8.44 C +ATOM 618 CD1 LEU C 72 13.605 19.826 15.454 1.00 11.19 C +ATOM 619 CD2 LEU C 72 12.383 18.004 14.343 1.00 9.27 C +ATOM 620 N ALA C 73 15.624 19.559 11.168 1.00 8.80 N +ATOM 621 CA ALA C 73 16.857 18.822 10.886 1.00 9.84 C +ATOM 622 C ALA C 73 18.042 19.746 10.631 1.00 11.16 C +ATOM 623 O ALA C 73 19.187 19.317 10.770 1.00 11.45 O +ATOM 624 CB ALA C 73 16.672 17.867 9.716 1.00 9.79 C +ATOM 625 N LYS C 74 17.766 20.993 10.256 1.00 12.45 N +ATOM 626 CA LYS C 74 18.816 21.991 10.050 1.00 13.98 C +ATOM 627 C LYS C 74 19.205 22.654 11.378 1.00 14.44 C +ATOM 628 O LYS C 74 20.390 22.919 11.622 1.00 15.92 O +ATOM 629 CB LYS C 74 18.336 23.014 9.022 1.00 14.15 C +ATOM 630 CG LYS C 74 18.279 22.442 7.612 1.00 16.25 C +ATOM 631 CD LYS C 74 17.658 23.398 6.630 1.00 20.22 C +ATOM 632 CE LYS C 74 17.593 22.788 5.235 1.00 22.31 C +ATOM 633 NZ LYS C 74 16.336 22.051 4.950 1.00 26.12 N +ATOM 634 N GLU C 75 18.217 22.903 12.235 1.00 13.96 N +ATOM 635 CA GLU C 75 18.428 23.597 13.510 1.00 14.18 C +ATOM 636 C GLU C 75 18.936 22.666 14.601 1.00 13.44 C +ATOM 637 O GLU C 75 19.749 23.075 15.438 1.00 14.24 O +ATOM 638 CB GLU C 75 17.137 24.265 13.989 1.00 14.55 C +ATOM 639 CG GLU C 75 16.591 25.372 13.085 1.00 18.20 C +ATOM 640 CD GLU C 75 17.282 26.707 13.295 1.00 21.75 C +ATOM 641 OE1 GLU C 75 17.580 27.057 14.462 1.00 24.44 O +ATOM 642 OE2 GLU C 75 17.529 27.406 12.288 1.00 23.87 O +ATOM 643 N ARG C 76 18.426 21.429 14.614 1.00 12.29 N +ATOM 644 CA ARG C 76 18.746 20.425 15.650 1.00 11.69 C +ATOM 645 C ARG C 76 18.783 21.017 17.054 1.00 12.12 C +ATOM 646 O ARG C 76 19.805 20.963 17.750 1.00 12.30 O +ATOM 647 CB ARG C 76 20.013 19.648 15.303 1.00 11.86 C +ATOM 648 CG ARG C 76 19.833 18.967 13.962 1.00 11.04 C +ATOM 649 CD ARG C 76 20.832 17.894 13.708 1.00 10.10 C +ATOM 650 NE ARG C 76 20.734 17.428 12.330 1.00 9.42 N +ATOM 651 CZ ARG C 76 21.231 16.276 11.902 1.00 8.13 C +ATOM 652 NH1 ARG C 76 21.850 15.457 12.752 1.00 8.98 N +ATOM 653 NH2 ARG C 76 21.123 15.948 10.620 1.00 9.40 N +ATOM 654 N PRO C 77 17.651 21.583 17.481 1.00 11.53 N +ATOM 655 CA PRO C 77 17.544 22.341 18.709 1.00 11.58 C +ATOM 656 C PRO C 77 17.471 21.429 19.948 1.00 11.80 C +ATOM 657 O PRO C 77 17.245 20.217 19.824 1.00 11.67 O +ATOM 658 CB PRO C 77 16.227 23.085 18.501 1.00 11.64 C +ATOM 659 CG PRO C 77 15.401 22.098 17.767 1.00 11.68 C +ATOM 660 CD PRO C 77 16.348 21.471 16.797 1.00 11.61 C +ATOM 661 N PRO C 78 17.654 22.005 21.151 1.00 12.24 N +ATOM 662 CA PRO C 78 17.639 21.194 22.365 1.00 12.18 C +ATOM 663 C PRO C 78 16.332 20.470 22.676 1.00 11.24 C +ATOM 664 O PRO C 78 16.361 19.433 23.326 1.00 12.51 O +ATOM 665 CB PRO C 78 17.991 22.202 23.470 1.00 12.71 C +ATOM 666 CG PRO C 78 18.805 23.214 22.763 1.00 13.80 C +ATOM 667 CD PRO C 78 18.192 23.356 21.405 1.00 12.96 C +ATOM 668 N ASN C 79 15.202 20.995 22.216 1.00 9.40 N +ATOM 669 CA ASN C 79 13.920 20.326 22.438 1.00 8.63 C +ATOM 670 C ASN C 79 13.168 20.135 21.125 1.00 7.95 C +ATOM 671 O ASN C 79 12.354 20.975 20.738 1.00 8.04 O +ATOM 672 CB ASN C 79 13.061 21.059 23.484 1.00 9.74 C +ATOM 673 CG ASN C 79 11.952 20.171 24.034 1.00 9.97 C +ATOM 674 OD1 ASN C 79 11.297 19.422 23.280 1.00 9.65 O +ATOM 675 ND2 ASN C 79 11.771 20.193 25.349 1.00 10.72 N +ATOM 676 N PRO C 80 13.458 19.021 20.416 1.00 7.75 N +ATOM 677 CA PRO C 80 12.937 18.867 19.052 1.00 7.22 C +ATOM 678 C PRO C 80 11.433 18.804 18.993 1.00 6.82 C +ATOM 679 O PRO C 80 10.850 19.370 18.067 1.00 6.44 O +ATOM 680 CB PRO C 80 13.517 17.537 18.579 1.00 8.14 C +ATOM 681 CG PRO C 80 14.650 17.260 19.460 1.00 11.08 C +ATOM 682 CD PRO C 80 14.481 18.010 20.738 1.00 8.17 C +ATOM 683 N ILE C 81 10.806 18.130 19.950 1.00 6.69 N +ATOM 684 CA ILE C 81 9.349 18.031 19.924 1.00 7.97 C +ATOM 685 C ILE C 81 8.676 19.386 20.150 1.00 7.61 C +ATOM 686 O ILE C 81 7.761 19.744 19.403 1.00 7.48 O +ATOM 687 CB ILE C 81 8.808 16.917 20.868 1.00 8.11 C +ATOM 688 CG1 ILE C 81 9.296 15.538 20.385 1.00 7.45 C +ATOM 689 CG2 ILE C 81 7.281 16.960 20.941 1.00 8.67 C +ATOM 690 CD1 ILE C 81 9.040 14.374 21.385 1.00 9.27 C +ATOM 691 N GLU C 82 9.125 20.128 21.159 1.00 7.88 N +ATOM 692 CA GLU C 82 8.602 21.468 21.412 1.00 9.29 C +ATOM 693 C GLU C 82 8.859 22.383 20.223 1.00 8.35 C +ATOM 694 O GLU C 82 7.983 23.170 19.824 1.00 8.26 O +ATOM 695 CB GLU C 82 9.243 22.052 22.670 1.00 9.96 C +ATOM 696 CG GLU C 82 8.773 21.460 24.008 1.00 13.78 C +ATOM 697 CD GLU C 82 7.527 22.139 24.560 1.00 19.54 C +ATOM 698 OE1 GLU C 82 7.216 23.280 24.143 1.00 21.12 O +ATOM 699 OE2 GLU C 82 6.847 21.522 25.412 1.00 21.94 O +ATOM 700 N PHE C 83 10.034 22.279 19.616 1.00 7.72 N +ATOM 701 CA PHE C 83 10.362 23.079 18.458 1.00 8.22 C +ATOM 702 C PHE C 83 9.385 22.799 17.324 1.00 7.25 C +ATOM 703 O PHE C 83 8.855 23.731 16.711 1.00 8.03 O +ATOM 704 CB PHE C 83 11.794 22.813 17.998 1.00 8.01 C +ATOM 705 CG PHE C 83 12.197 23.651 16.813 1.00 9.79 C +ATOM 706 CD1 PHE C 83 12.869 24.866 16.996 1.00 11.44 C +ATOM 707 CD2 PHE C 83 11.885 23.250 15.516 1.00 11.14 C +ATOM 708 CE1 PHE C 83 13.223 25.668 15.890 1.00 13.44 C +ATOM 709 CE2 PHE C 83 12.232 24.042 14.407 1.00 12.72 C +ATOM 710 CZ PHE C 83 12.912 25.245 14.603 1.00 12.77 C +ATOM 711 N LEU C 84 9.123 21.527 17.032 1.00 7.37 N +ATOM 712 CA LEU C 84 8.246 21.199 15.933 1.00 7.18 C +ATOM 713 C LEU C 84 6.813 21.639 16.206 1.00 7.57 C +ATOM 714 O LEU C 84 6.154 22.151 15.301 1.00 7.67 O +ATOM 715 CB LEU C 84 8.333 19.707 15.618 1.00 7.04 C +ATOM 716 CG LEU C 84 7.575 19.269 14.364 1.00 6.62 C +ATOM 717 CD1 LEU C 84 8.033 20.009 13.104 1.00 7.93 C +ATOM 718 CD2 LEU C 84 7.677 17.766 14.218 1.00 7.29 C +ATOM 719 N ALA C 85 6.324 21.443 17.422 1.00 7.60 N +ATOM 720 CA ALA C 85 4.964 21.860 17.758 1.00 8.63 C +ATOM 721 C ALA C 85 4.839 23.368 17.571 1.00 8.72 C +ATOM 722 O ALA C 85 3.842 23.830 17.011 1.00 10.16 O +ATOM 723 CB ALA C 85 4.611 21.470 19.174 1.00 8.78 C +ATOM 724 N SER C 86 5.831 24.126 18.047 1.00 9.17 N +ATOM 725 CA SER C 86 5.831 25.587 17.901 1.00 9.82 C +ATOM 726 C SER C 86 5.870 25.955 16.409 1.00 8.88 C +ATOM 727 O SER C 86 5.138 26.857 15.964 1.00 9.57 O +ATOM 728 CB SER C 86 7.022 26.186 18.661 1.00 10.07 C +ATOM 729 OG SER C 86 7.089 27.612 18.534 1.00 14.69 O +ATOM 730 N TYR C 87 6.704 25.273 15.623 1.00 8.09 N +ATOM 731 CA TYR C 87 6.758 25.498 14.196 1.00 8.51 C +ATOM 732 C TYR C 87 5.379 25.351 13.552 1.00 8.70 C +ATOM 733 O TYR C 87 4.982 26.173 12.719 1.00 8.41 O +ATOM 734 CB TYR C 87 7.753 24.561 13.499 1.00 8.82 C +ATOM 735 CG TYR C 87 7.965 24.920 12.058 1.00 8.55 C +ATOM 736 CD1 TYR C 87 8.999 25.776 11.695 1.00 11.35 C +ATOM 737 CD2 TYR C 87 7.123 24.446 11.055 1.00 9.25 C +ATOM 738 CE1 TYR C 87 9.199 26.138 10.375 1.00 12.59 C +ATOM 739 CE2 TYR C 87 7.323 24.809 9.734 1.00 10.67 C +ATOM 740 CZ TYR C 87 8.362 25.661 9.410 1.00 12.61 C +ATOM 741 OH TYR C 87 8.535 26.021 8.091 1.00 15.36 O +ATOM 742 N LEU C 88 4.643 24.306 13.923 1.00 8.21 N +ATOM 743 CA LEU C 88 3.322 24.070 13.333 1.00 8.87 C +ATOM 744 C LEU C 88 2.381 25.233 13.592 1.00 8.10 C +ATOM 745 O LEU C 88 1.701 25.689 12.692 1.00 8.28 O +ATOM 746 CB LEU C 88 2.698 22.780 13.875 1.00 9.37 C +ATOM 747 CG LEU C 88 3.419 21.473 13.563 1.00 12.36 C +ATOM 748 CD1 LEU C 88 2.665 20.297 14.150 1.00 12.82 C +ATOM 749 CD2 LEU C 88 3.561 21.304 12.075 1.00 14.28 C +ATOM 750 N LEU C 89 2.358 25.704 14.828 1.00 7.87 N +ATOM 751 CA LEU C 89 1.507 26.845 15.166 1.00 9.02 C +ATOM 752 C LEU C 89 1.909 28.120 14.445 1.00 8.25 C +ATOM 753 O LEU C 89 1.036 28.851 13.940 1.00 9.24 O +ATOM 754 CB LEU C 89 1.514 27.068 16.665 1.00 9.52 C +ATOM 755 CG LEU C 89 0.939 25.914 17.499 1.00 11.97 C +ATOM 756 CD1 LEU C 89 1.051 26.272 18.972 1.00 15.10 C +ATOM 757 CD2 LEU C 89 -0.506 25.607 17.133 1.00 13.67 C +ATOM 758 N LYS C 90 3.215 28.352 14.356 1.00 8.01 N +ATOM 759 CA LYS C 90 3.732 29.592 13.755 1.00 8.46 C +ATOM 760 C LYS C 90 3.534 29.631 12.244 1.00 8.04 C +ATOM 761 O LYS C 90 3.432 30.729 11.666 1.00 8.60 O +ATOM 762 CB LYS C 90 5.201 29.776 14.100 1.00 9.12 C +ATOM 763 CG LYS C 90 5.442 30.112 15.539 1.00 11.47 C +ATOM 764 CD LYS C 90 6.905 30.061 15.853 1.00 15.76 C +ATOM 765 CE LYS C 90 7.172 30.469 17.285 1.00 20.30 C +ATOM 766 NZ LYS C 90 8.589 30.181 17.649 1.00 24.32 N +ATOM 767 N ASN C 91 3.443 28.462 11.617 1.00 7.90 N +ATOM 768 CA ASN C 91 3.438 28.383 10.163 1.00 8.96 C +ATOM 769 C ASN C 91 2.169 27.824 9.553 1.00 8.65 C +ATOM 770 O ASN C 91 2.039 27.770 8.326 1.00 9.35 O +ATOM 771 CB ASN C 91 4.648 27.590 9.645 1.00 9.41 C +ATOM 772 CG ASN C 91 5.955 28.310 9.880 1.00 9.57 C +ATOM 773 OD1 ASN C 91 6.413 29.080 9.037 1.00 12.53 O +ATOM 774 ND2 ASN C 91 6.554 28.081 11.032 1.00 11.06 N +ATOM 775 N LYS C 92 1.208 27.451 10.390 1.00 9.42 N +ATOM 776 CA LYS C 92 -0.015 26.836 9.851 1.00 11.22 C +ATOM 777 C LYS C 92 -0.820 27.759 8.939 1.00 11.67 C +ATOM 778 O LYS C 92 -1.574 27.284 8.105 1.00 12.63 O +ATOM 779 CB LYS C 92 -0.903 26.251 10.943 1.00 12.47 C +ATOM 780 CG LYS C 92 -1.409 27.227 11.961 1.00 13.00 C +ATOM 781 CD LYS C 92 -2.110 26.440 13.071 1.00 16.59 C +ATOM 782 CE LYS C 92 -2.552 27.300 14.230 1.00 18.97 C +ATOM 783 NZ LYS C 92 -3.632 28.210 13.817 1.00 19.76 N +ATOM 784 N ALA C 93 -0.660 29.073 9.096 1.00 12.10 N +ATOM 785 CA ALA C 93 -1.383 30.027 8.255 1.00 13.42 C +ATOM 786 C ALA C 93 -1.018 29.887 6.779 1.00 14.56 C +ATOM 787 O ALA C 93 -1.867 30.123 5.909 1.00 14.76 O +ATOM 788 CB ALA C 93 -1.128 31.453 8.724 1.00 13.29 C +ATOM 789 N GLN C 94 0.231 29.521 6.484 1.00 16.62 N +ATOM 790 CA GLN C 94 0.681 29.280 5.096 1.00 19.22 C +ATOM 791 C GLN C 94 -0.084 28.149 4.421 1.00 20.58 C +ATOM 792 O GLN C 94 -0.136 28.065 3.190 1.00 20.91 O +ATOM 793 CB GLN C 94 2.165 28.929 5.055 1.00 19.40 C +ATOM 794 CG GLN C 94 3.068 29.995 5.625 1.00 22.75 C +ATOM 795 CD GLN C 94 4.454 29.470 5.964 1.00 25.92 C +ATOM 796 OE1 GLN C 94 4.982 28.575 5.288 1.00 26.63 O +ATOM 797 NE2 GLN C 94 5.052 30.026 7.019 1.00 25.68 N +ATOM 798 N PHE C 95 -0.668 27.279 5.237 1.00 22.14 N +ATOM 799 CA PHE C 95 -1.377 26.115 4.738 1.00 24.25 C +ATOM 800 C PHE C 95 -2.880 26.296 4.958 1.00 26.13 C +ATOM 801 O PHE C 95 -3.626 25.328 5.126 1.00 27.61 O +ATOM 802 CB PHE C 95 -0.793 24.849 5.379 1.00 23.53 C +ATOM 803 CG PHE C 95 0.681 24.658 5.086 1.00 22.21 C +ATOM 804 CD1 PHE C 95 1.654 25.262 5.878 1.00 20.19 C +ATOM 805 CD2 PHE C 95 1.093 23.897 3.993 1.00 20.73 C +ATOM 806 CE1 PHE C 95 3.006 25.112 5.595 1.00 19.65 C +ATOM 807 CE2 PHE C 95 2.445 23.734 3.708 1.00 19.63 C +ATOM 808 CZ PHE C 95 3.403 24.338 4.510 1.00 19.30 C +ATOM 809 N GLU C 96 -3.301 27.566 4.937 1.00 28.12 N +ATOM 810 CA GLU C 96 -4.710 27.989 4.945 1.00 29.46 C +ATOM 811 C GLU C 96 -5.497 27.541 6.172 1.00 29.91 C +ATOM 812 O GLU C 96 -6.521 28.144 6.509 1.00 30.90 O +ATOM 813 CB GLU C 96 -5.416 27.554 3.653 1.00 29.80 C +ATOM 814 CG GLU C 96 -6.853 28.021 3.522 1.00 31.63 C +ATOM 815 CD GLU C 96 -7.319 28.104 2.077 1.00 34.03 C +ATOM 816 OE1 GLU C 96 -8.402 28.688 1.841 1.00 34.89 O +ATOM 817 OE2 GLU C 96 -6.605 27.596 1.177 1.00 35.42 O Added: SwiftApps/modFTdock/input/3h8q-2.pdb =================================================================== --- SwiftApps/modFTdock/input/3h8q-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/3h8q-2.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,813 @@ +ATOM 1 N ARG B 163 24.569 42.725 -17.540 1.00 63.32 N +ATOM 2 CA ARG B 163 24.171 41.359 -17.979 1.00 61.22 C +ATOM 3 C ARG B 163 22.917 40.922 -17.231 1.00 59.94 C +ATOM 4 O ARG B 163 22.967 40.657 -16.026 1.00 59.68 O +ATOM 5 CB ARG B 163 25.311 40.366 -17.740 1.00 55.90 C +ATOM 6 N GLU B 164 21.801 40.851 -17.958 1.00 57.39 N +ATOM 7 CA GLU B 164 20.491 40.541 -17.373 1.00 54.35 C +ATOM 8 C GLU B 164 20.376 39.097 -16.856 1.00 50.37 C +ATOM 9 O GLU B 164 19.728 38.843 -15.820 1.00 48.25 O +ATOM 10 CB GLU B 164 19.374 40.829 -18.385 1.00 53.98 C +ATOM 11 N GLU B 165 21.006 38.168 -17.578 1.00 45.76 N +ATOM 12 CA GLU B 165 20.995 36.750 -17.214 1.00 43.22 C +ATOM 13 C GLU B 165 21.886 36.449 -16.016 1.00 37.01 C +ATOM 14 O GLU B 165 21.534 35.586 -15.206 1.00 32.75 O +ATOM 15 CB GLU B 165 21.404 35.870 -18.404 1.00 46.34 C +ATOM 16 CG GLU B 165 20.364 35.860 -19.536 1.00 58.58 C +ATOM 17 CD GLU B 165 20.939 35.469 -20.898 1.00 69.58 C +ATOM 18 OE1 GLU B 165 22.043 34.879 -20.950 1.00 74.69 O +ATOM 19 OE2 GLU B 165 20.278 35.747 -21.922 1.00 73.63 O +ATOM 20 N LEU B 166 23.029 37.137 -15.913 1.00 30.68 N +ATOM 21 CA LEU B 166 23.909 37.020 -14.751 1.00 33.20 C +ATOM 22 C LEU B 166 23.200 37.539 -13.457 1.00 33.31 C +ATOM 23 O LEU B 166 23.140 36.845 -12.436 1.00 29.46 O +ATOM 24 CB LEU B 166 25.205 37.800 -15.000 1.00 33.96 C +ATOM 25 CG LEU B 166 26.304 37.727 -13.934 1.00 41.36 C +ATOM 26 CD1 LEU B 166 26.685 36.269 -13.590 1.00 33.34 C +ATOM 27 CD2 LEU B 166 27.510 38.544 -14.407 1.00 38.88 C +ATOM 28 N ARG B 167 22.662 38.756 -13.525 1.00 31.25 N +ATOM 29 CA ARG B 167 21.870 39.314 -12.418 1.00 32.74 C +ATOM 30 C ARG B 167 20.887 38.288 -11.931 1.00 30.97 C +ATOM 31 O ARG B 167 20.812 38.018 -10.720 1.00 29.44 O +ATOM 32 CB ARG B 167 21.090 40.536 -12.858 1.00 35.51 C +ATOM 33 CG ARG B 167 21.709 41.865 -12.464 1.00 46.66 C +ATOM 34 CD ARG B 167 20.837 43.019 -12.935 1.00 56.85 C +ATOM 35 NE ARG B 167 21.595 44.055 -13.643 1.00 67.52 N +ATOM 36 CZ ARG B 167 22.359 44.977 -13.058 1.00 72.92 C +ATOM 37 NH1 ARG B 167 22.491 45.014 -11.736 1.00 73.25 N +ATOM 38 NH2 ARG B 167 23.003 45.867 -13.806 1.00 73.52 N +ATOM 39 N ARG B 168 20.147 37.714 -12.884 1.00 27.98 N +ATOM 40 CA ARG B 168 19.118 36.729 -12.585 1.00 28.71 C +ATOM 41 C ARG B 168 19.693 35.468 -11.896 1.00 29.91 C +ATOM 42 O ARG B 168 19.076 34.921 -10.988 1.00 31.96 O +ATOM 43 CB ARG B 168 18.381 36.348 -13.875 1.00 29.34 C +ATOM 44 CG ARG B 168 17.156 35.443 -13.677 1.00 37.34 C +ATOM 45 CD ARG B 168 16.516 35.048 -15.027 1.00 49.62 C +ATOM 46 NE ARG B 168 16.114 36.219 -15.821 1.00 62.12 N +ATOM 47 CZ ARG B 168 15.780 36.206 -17.120 1.00 72.90 C +ATOM 48 NH1 ARG B 168 15.784 35.075 -17.834 1.00 73.52 N +ATOM 49 NH2 ARG B 168 15.433 37.347 -17.717 1.00 71.58 N +ATOM 50 N HIS B 169 20.859 34.992 -12.338 1.00 29.88 N +ATOM 51 CA HIS B 169 21.443 33.782 -11.751 1.00 30.59 C +ATOM 52 C HIS B 169 21.950 34.087 -10.343 1.00 28.96 C +ATOM 53 O HIS B 169 21.870 33.239 -9.487 1.00 32.13 O +ATOM 54 CB HIS B 169 22.617 33.242 -12.597 1.00 29.89 C +ATOM 55 CG HIS B 169 22.201 32.564 -13.866 1.00 32.94 C +ATOM 56 ND1 HIS B 169 22.835 32.784 -15.068 1.00 32.02 N +ATOM 57 CD2 HIS B 169 21.225 31.659 -14.116 1.00 32.73 C +ATOM 58 CE1 HIS B 169 22.260 32.056 -16.006 1.00 37.85 C +ATOM 59 NE2 HIS B 169 21.288 31.357 -15.452 1.00 26.27 N +ATOM 60 N LEU B 170 22.502 35.283 -10.133 1.00 26.95 N +ATOM 61 CA LEU B 170 23.016 35.680 -8.809 1.00 25.35 C +ATOM 62 C LEU B 170 21.880 35.781 -7.804 1.00 25.22 C +ATOM 63 O LEU B 170 21.984 35.313 -6.652 1.00 31.34 O +ATOM 64 CB LEU B 170 23.752 37.021 -8.870 1.00 21.92 C +ATOM 65 CG LEU B 170 25.142 36.957 -9.476 1.00 30.21 C +ATOM 66 CD1 LEU B 170 25.698 38.360 -9.803 1.00 24.54 C +ATOM 67 CD2 LEU B 170 26.083 36.185 -8.523 1.00 29.33 C +ATOM 68 N VAL B 171 20.791 36.392 -8.233 1.00 24.21 N +ATOM 69 CA VAL B 171 19.591 36.492 -7.399 1.00 22.83 C +ATOM 70 C VAL B 171 19.019 35.097 -7.084 1.00 28.34 C +ATOM 71 O VAL B 171 18.635 34.834 -5.936 1.00 29.94 O +ATOM 72 CB VAL B 171 18.519 37.377 -8.077 1.00 29.09 C +ATOM 73 CG1 VAL B 171 17.112 37.282 -7.381 1.00 29.10 C +ATOM 74 CG2 VAL B 171 18.998 38.814 -8.112 1.00 22.96 C +ATOM 75 N GLY B 172 18.982 34.204 -8.085 1.00 25.82 N +ATOM 76 CA GLY B 172 18.471 32.836 -7.870 1.00 22.74 C +ATOM 77 C GLY B 172 19.303 32.048 -6.850 1.00 25.47 C +ATOM 78 O GLY B 172 18.765 31.333 -5.999 1.00 25.24 O +ATOM 79 N LEU B 173 20.619 32.157 -6.961 1.00 25.35 N +ATOM 80 CA LEU B 173 21.547 31.557 -5.993 1.00 28.99 C +ATOM 81 C LEU B 173 21.227 31.999 -4.539 1.00 27.61 C +ATOM 82 O LEU B 173 21.135 31.170 -3.625 1.00 25.08 O +ATOM 83 CB LEU B 173 22.982 31.959 -6.345 1.00 27.63 C +ATOM 84 CG LEU B 173 24.154 31.347 -5.558 1.00 39.78 C +ATOM 85 CD1 LEU B 173 24.077 29.778 -5.307 1.00 34.35 C +ATOM 86 CD2 LEU B 173 25.459 31.729 -6.345 1.00 28.08 C +ATOM 87 N ILE B 174 21.003 33.296 -4.356 1.00 26.90 N +ATOM 88 CA ILE B 174 20.699 33.880 -3.036 1.00 23.72 C +ATOM 89 C ILE B 174 19.356 33.408 -2.506 1.00 29.46 C +ATOM 90 O ILE B 174 19.223 33.063 -1.303 1.00 30.86 O +ATOM 91 CB ILE B 174 20.713 35.423 -3.103 1.00 22.24 C +ATOM 92 CG1 ILE B 174 22.125 35.914 -3.389 1.00 24.70 C +ATOM 93 CG2 ILE B 174 20.219 36.045 -1.805 1.00 25.35 C +ATOM 94 CD1 ILE B 174 22.234 37.470 -3.709 1.00 18.44 C +ATOM 95 N GLU B 175 18.379 33.379 -3.410 1.00 27.78 N +ATOM 96 CA GLU B 175 17.019 32.968 -3.098 1.00 29.09 C +ATOM 97 C GLU B 175 16.923 31.496 -2.681 1.00 26.82 C +ATOM 98 O GLU B 175 16.150 31.153 -1.796 1.00 31.93 O +ATOM 99 CB GLU B 175 16.065 33.267 -4.282 1.00 32.47 C +ATOM 100 CG GLU B 175 15.687 34.740 -4.416 1.00 40.89 C +ATOM 101 CD GLU B 175 14.581 34.981 -5.456 1.00 52.89 C +ATOM 102 OE1 GLU B 175 14.804 34.810 -6.694 1.00 41.74 O +ATOM 103 OE2 GLU B 175 13.482 35.354 -5.019 1.00 53.70 O +ATOM 104 N ARG B 176 17.730 30.640 -3.275 1.00 24.95 N +ATOM 105 CA ARG B 176 17.648 29.212 -3.017 1.00 27.35 C +ATOM 106 C ARG B 176 18.534 28.716 -1.856 1.00 27.05 C +ATOM 107 O ARG B 176 18.432 27.551 -1.471 1.00 29.73 O +ATOM 108 CB ARG B 176 17.981 28.425 -4.286 1.00 29.47 C +ATOM 109 N SER B 177 19.373 29.587 -1.302 1.00 24.10 N +ATOM 110 CA SER B 177 20.427 29.170 -0.382 1.00 22.83 C +ATOM 111 C SER B 177 20.128 29.610 1.029 1.00 19.89 C +ATOM 112 O SER B 177 19.851 30.768 1.289 1.00 23.44 O +ATOM 113 CB SER B 177 21.788 29.786 -0.734 1.00 24.66 C +ATOM 114 OG SER B 177 22.242 29.478 -2.028 1.00 24.91 O +ATOM 115 N ARG B 178 20.285 28.681 1.954 1.00 20.53 N +ATOM 116 CA ARG B 178 20.273 29.026 3.356 1.00 19.28 C +ATOM 117 C ARG B 178 21.418 29.976 3.764 1.00 16.00 C +ATOM 118 O ARG B 178 21.194 30.967 4.494 1.00 18.53 O +ATOM 119 CB ARG B 178 20.294 27.759 4.181 1.00 20.84 C +ATOM 120 CG ARG B 178 20.199 28.058 5.645 1.00 29.09 C +ATOM 121 CD ARG B 178 20.237 26.769 6.388 1.00 35.91 C +ATOM 122 NE ARG B 178 19.799 26.962 7.755 1.00 33.38 N +ATOM 123 CZ ARG B 178 20.282 26.291 8.788 1.00 33.35 C +ATOM 124 NH1 ARG B 178 21.225 25.362 8.623 1.00 27.23 N +ATOM 125 NH2 ARG B 178 19.820 26.556 9.999 1.00 26.10 N +ATOM 126 N VAL B 179 22.620 29.669 3.307 1.00 16.38 N +ATOM 127 CA VAL B 179 23.770 30.590 3.396 1.00 14.69 C +ATOM 128 C VAL B 179 24.501 30.603 2.070 1.00 15.00 C +ATOM 129 O VAL B 179 24.815 29.557 1.530 1.00 18.01 O +ATOM 130 CB VAL B 179 24.790 30.173 4.430 1.00 17.08 C +ATOM 131 CG1 VAL B 179 25.921 31.224 4.454 1.00 14.05 C +ATOM 132 CG2 VAL B 179 24.136 30.013 5.807 1.00 13.48 C +ATOM 133 N VAL B 180 24.754 31.779 1.538 1.00 16.60 N +ATOM 134 CA VAL B 180 25.664 31.910 0.405 1.00 18.60 C +ATOM 135 C VAL B 180 26.757 32.894 0.798 1.00 19.07 C +ATOM 136 O VAL B 180 26.464 33.939 1.386 1.00 20.62 O +ATOM 137 CB VAL B 180 24.957 32.298 -0.926 1.00 20.98 C +ATOM 138 CG1 VAL B 180 24.119 33.509 -0.781 1.00 25.29 C +ATOM 139 CG2 VAL B 180 26.002 32.480 -2.045 1.00 24.65 C +ATOM 140 N ILE B 181 28.016 32.505 0.531 1.00 18.18 N +ATOM 141 CA ILE B 181 29.192 33.344 0.751 1.00 15.96 C +ATOM 142 C ILE B 181 29.842 33.572 -0.608 1.00 18.95 C +ATOM 143 O ILE B 181 30.262 32.629 -1.269 1.00 21.13 O +ATOM 144 CB ILE B 181 30.249 32.660 1.691 1.00 15.42 C +ATOM 145 CG1 ILE B 181 29.602 32.158 2.976 1.00 19.87 C +ATOM 146 CG2 ILE B 181 31.446 33.614 1.978 1.00 16.95 C +ATOM 147 CD1 ILE B 181 30.464 31.093 3.751 1.00 19.93 C +ATOM 148 N PHE B 182 29.870 34.829 -1.032 1.00 19.82 N +ATOM 149 CA PHE B 182 30.632 35.266 -2.179 1.00 18.37 C +ATOM 150 C PHE B 182 32.009 35.593 -1.646 1.00 21.72 C +ATOM 151 O PHE B 182 32.180 36.452 -0.787 1.00 25.49 O +ATOM 152 CB PHE B 182 29.961 36.474 -2.780 1.00 22.04 C +ATOM 153 CG PHE B 182 28.596 36.172 -3.351 1.00 22.48 C +ATOM 154 CD1 PHE B 182 28.472 35.642 -4.640 1.00 24.84 C +ATOM 155 CD2 PHE B 182 27.438 36.404 -2.605 1.00 24.22 C +ATOM 156 CE1 PHE B 182 27.207 35.369 -5.196 1.00 24.16 C +ATOM 157 CE2 PHE B 182 26.180 36.119 -3.141 1.00 20.90 C +ATOM 158 CZ PHE B 182 26.062 35.610 -4.441 1.00 26.87 C +ATOM 159 N SER B 183 32.981 34.846 -2.129 1.00 20.29 N +ATOM 160 CA SER B 183 34.261 34.681 -1.470 1.00 20.65 C +ATOM 161 C SER B 183 35.420 34.829 -2.466 1.00 26.54 C +ATOM 162 O SER B 183 35.221 34.915 -3.692 1.00 23.51 O +ATOM 163 CB SER B 183 34.306 33.269 -0.893 1.00 23.15 C +ATOM 164 OG SER B 183 35.591 32.886 -0.439 1.00 30.77 O +ATOM 165 N LYS B 184 36.631 34.849 -1.917 1.00 30.82 N +ATOM 166 CA LYS B 184 37.838 34.603 -2.704 1.00 32.68 C +ATOM 167 C LYS B 184 38.713 33.528 -2.033 1.00 33.41 C +ATOM 168 O LYS B 184 38.880 33.519 -0.816 1.00 31.30 O +ATOM 169 CB LYS B 184 38.608 35.900 -2.968 1.00 30.90 C +ATOM 170 CG LYS B 184 38.032 36.662 -4.167 1.00 36.15 C +ATOM 171 CD LYS B 184 38.486 38.126 -4.248 1.00 37.64 C +ATOM 172 CE LYS B 184 37.681 38.881 -5.331 1.00 39.76 C +ATOM 173 NZ LYS B 184 37.909 40.369 -5.323 1.00 48.93 N +ATOM 174 N SER B 185 39.206 32.604 -2.860 1.00 36.04 N +ATOM 175 CA SER B 185 39.902 31.383 -2.422 1.00 39.77 C +ATOM 176 C SER B 185 41.054 31.639 -1.444 1.00 39.10 C +ATOM 177 O SER B 185 41.361 30.792 -0.597 1.00 41.06 O +ATOM 178 CB SER B 185 40.468 30.633 -3.643 1.00 40.52 C +ATOM 179 OG SER B 185 39.463 29.872 -4.292 1.00 48.82 O +ATOM 180 N TYR B 186 41.694 32.798 -1.572 1.00 37.50 N +ATOM 181 CA TYR B 186 42.915 33.102 -0.823 1.00 41.66 C +ATOM 182 C TYR B 186 42.700 34.083 0.347 1.00 43.27 C +ATOM 183 O TYR B 186 43.633 34.382 1.119 1.00 43.54 O +ATOM 184 CB TYR B 186 43.965 33.671 -1.796 1.00 43.41 C +ATOM 185 CG TYR B 186 43.464 34.902 -2.536 0.80 38.73 C +ATOM 186 CD1 TYR B 186 43.481 36.151 -1.916 0.80 37.01 C +ATOM 187 CD2 TYR B 186 42.938 34.815 -3.842 0.80 35.14 C +ATOM 188 CE1 TYR B 186 43.011 37.280 -2.568 0.80 35.38 C +ATOM 189 CE2 TYR B 186 42.462 35.953 -4.497 0.80 35.04 C +ATOM 190 CZ TYR B 186 42.511 37.181 -3.844 0.80 24.24 C +ATOM 191 OH TYR B 186 42.058 38.328 -4.459 0.80 37.08 O +ATOM 192 N CYS B 187 41.468 34.577 0.471 1.00 43.22 N +ATOM 193 CA CYS B 187 41.115 35.634 1.425 1.00 41.72 C +ATOM 194 C CYS B 187 40.915 35.073 2.845 1.00 40.00 C +ATOM 195 O CYS B 187 40.122 34.152 3.038 1.00 40.40 O +ATOM 196 CB CYS B 187 39.841 36.324 0.926 1.00 43.29 C +ATOM 197 SG CYS B 187 39.193 37.642 1.953 1.00 37.90 S +ATOM 198 N PRO B 188 41.643 35.610 3.839 1.00 37.09 N +ATOM 199 CA PRO B 188 41.536 35.077 5.203 1.00 35.87 C +ATOM 200 C PRO B 188 40.285 35.550 5.936 1.00 33.54 C +ATOM 201 O PRO B 188 39.863 34.909 6.896 1.00 34.04 O +ATOM 202 CB PRO B 188 42.788 35.617 5.902 1.00 36.52 C +ATOM 203 CG PRO B 188 43.144 36.854 5.157 1.00 38.61 C +ATOM 204 CD PRO B 188 42.671 36.663 3.735 1.00 39.44 C +ATOM 205 N HIS B 189 39.697 36.663 5.501 1.00 30.86 N +ATOM 206 CA HIS B 189 38.359 37.037 5.987 1.00 31.52 C +ATOM 207 C HIS B 189 37.323 35.990 5.541 1.00 29.49 C +ATOM 208 O HIS B 189 36.558 35.501 6.372 1.00 25.47 O +ATOM 209 CB HIS B 189 37.961 38.415 5.503 1.00 29.71 C +ATOM 210 CG HIS B 189 38.779 39.510 6.096 1.00 37.23 C +ATOM 211 ND1 HIS B 189 38.411 40.165 7.251 1.00 52.16 N +ATOM 212 CD2 HIS B 189 39.952 40.058 5.706 1.00 47.34 C +ATOM 213 CE1 HIS B 189 39.317 41.081 7.540 1.00 53.84 C +ATOM 214 NE2 HIS B 189 40.263 41.036 6.619 1.00 51.05 N +ATOM 215 N SER B 190 37.358 35.634 4.247 1.00 26.35 N +ATOM 216 CA SER B 190 36.526 34.558 3.667 1.00 24.72 C +ATOM 217 C SER B 190 36.735 33.231 4.394 1.00 24.19 C +ATOM 218 O SER B 190 35.779 32.615 4.810 1.00 25.92 O +ATOM 219 CB SER B 190 36.842 34.362 2.168 1.00 25.93 C +ATOM 220 OG SER B 190 36.616 35.537 1.426 1.00 24.46 O +ATOM 221 N THR B 191 37.987 32.816 4.557 1.00 25.33 N +ATOM 222 CA THR B 191 38.343 31.590 5.282 1.00 27.78 C +ATOM 223 C THR B 191 37.779 31.588 6.699 1.00 26.02 C +ATOM 224 O THR B 191 37.262 30.582 7.174 1.00 23.84 O +ATOM 225 CB THR B 191 39.884 31.423 5.331 1.00 30.06 C +ATOM 226 OG1 THR B 191 40.371 31.312 3.981 1.00 31.46 O +ATOM 227 CG2 THR B 191 40.324 30.185 6.184 1.00 26.69 C +ATOM 228 N ARG B 192 37.857 32.736 7.356 1.00 24.38 N +ATOM 229 CA ARG B 192 37.374 32.855 8.713 1.00 24.19 C +ATOM 230 C ARG B 192 35.854 32.750 8.834 1.00 20.69 C +ATOM 231 O ARG B 192 35.336 32.112 9.765 1.00 20.28 O +ATOM 232 CB ARG B 192 37.880 34.167 9.314 1.00 29.52 C +ATOM 233 CG ARG B 192 37.716 34.254 10.797 1.00 36.63 C +ATOM 234 CD ARG B 192 38.598 33.262 11.529 1.00 38.08 C +ATOM 235 NE ARG B 192 38.143 33.086 12.911 1.00 35.88 N +ATOM 236 CZ ARG B 192 37.176 32.258 13.316 1.00 38.43 C +ATOM 237 NH1 ARG B 192 36.500 31.489 12.459 1.00 37.03 N +ATOM 238 NH2 ARG B 192 36.865 32.205 14.603 1.00 45.19 N +ATOM 239 N VAL B 193 35.125 33.359 7.899 1.00 18.58 N +ATOM 240 CA VAL B 193 33.680 33.213 7.894 1.00 21.31 C +ATOM 241 C VAL B 193 33.229 31.786 7.579 1.00 23.88 C +ATOM 242 O VAL B 193 32.279 31.296 8.165 1.00 26.04 O +ATOM 243 CB VAL B 193 33.009 34.143 6.875 1.00 25.08 C +ATOM 244 CG1 VAL B 193 31.523 34.023 7.012 1.00 33.03 C +ATOM 245 CG2 VAL B 193 33.369 35.558 7.139 1.00 22.12 C +ATOM 246 N LYS B 194 33.906 31.120 6.638 1.00 25.93 N +ATOM 247 CA LYS B 194 33.611 29.705 6.328 1.00 25.35 C +ATOM 248 C LYS B 194 33.791 28.860 7.578 1.00 24.06 C +ATOM 249 O LYS B 194 32.996 27.967 7.855 1.00 22.80 O +ATOM 250 CB LYS B 194 34.547 29.160 5.243 1.00 24.77 C +ATOM 251 CG LYS B 194 34.411 29.854 3.884 1.00 32.71 C +ATOM 252 CD LYS B 194 35.546 29.420 2.950 1.00 36.38 C +ATOM 253 CE LYS B 194 35.466 30.130 1.609 1.00 38.67 C +ATOM 254 NZ LYS B 194 36.570 29.716 0.697 1.00 34.57 N +ATOM 255 N GLU B 195 34.841 29.139 8.336 1.00 25.70 N +ATOM 256 CA GLU B 195 35.122 28.375 9.575 1.00 25.12 C +ATOM 257 C GLU B 195 34.047 28.621 10.606 1.00 22.08 C +ATOM 258 O GLU B 195 33.603 27.702 11.248 1.00 25.04 O +ATOM 259 CB GLU B 195 36.508 28.733 10.153 1.00 28.88 C +ATOM 260 CG GLU B 195 37.672 28.148 9.361 1.00 42.50 C +ATOM 261 CD GLU B 195 39.039 28.792 9.671 1.00 55.57 C +ATOM 262 OE1 GLU B 195 39.101 29.839 10.353 1.00 56.90 O +ATOM 263 OE2 GLU B 195 40.063 28.242 9.213 1.00 61.70 O +ATOM 264 N LEU B 196 33.614 29.864 10.773 1.00 20.77 N +ATOM 265 CA LEU B 196 32.502 30.129 11.685 1.00 18.39 C +ATOM 266 C LEU B 196 31.277 29.235 11.313 1.00 22.20 C +ATOM 267 O LEU B 196 30.719 28.540 12.154 1.00 24.99 O +ATOM 268 CB LEU B 196 32.106 31.606 11.621 1.00 18.58 C +ATOM 269 CG LEU B 196 30.867 31.996 12.415 1.00 20.81 C +ATOM 270 CD1 LEU B 196 31.142 31.662 13.923 1.00 17.98 C +ATOM 271 CD2 LEU B 196 30.426 33.458 12.190 1.00 18.95 C +ATOM 272 N PHE B 197 30.858 29.247 10.049 1.00 25.08 N +ATOM 273 CA PHE B 197 29.619 28.499 9.680 1.00 23.37 C +ATOM 274 C PHE B 197 29.853 27.018 9.871 1.00 25.57 C +ATOM 275 O PHE B 197 28.978 26.308 10.329 1.00 30.34 O +ATOM 276 CB PHE B 197 29.166 28.794 8.249 1.00 18.16 C +ATOM 277 CG PHE B 197 28.463 30.094 8.109 1.00 17.16 C +ATOM 278 CD1 PHE B 197 27.195 30.275 8.651 1.00 18.51 C +ATOM 279 CD2 PHE B 197 29.089 31.181 7.486 1.00 17.45 C +ATOM 280 CE1 PHE B 197 26.556 31.538 8.582 1.00 18.37 C +ATOM 281 CE2 PHE B 197 28.463 32.436 7.404 1.00 18.17 C +ATOM 282 CZ PHE B 197 27.198 32.609 7.931 1.00 22.63 C +ATOM 283 N SER B 198 31.051 26.555 9.549 1.00 30.18 N +ATOM 284 CA SER B 198 31.393 25.158 9.791 1.00 33.55 C +ATOM 285 C SER B 198 31.329 24.793 11.280 1.00 33.81 C +ATOM 286 O SER B 198 30.756 23.770 11.631 1.00 32.60 O +ATOM 287 CB SER B 198 32.759 24.826 9.220 1.00 35.29 C +ATOM 288 OG SER B 198 33.142 23.499 9.556 1.00 46.37 O +ATOM 289 N SER B 199 31.879 25.650 12.146 1.00 32.66 N +ATOM 290 CA SER B 199 31.761 25.456 13.596 1.00 34.57 C +ATOM 291 C SER B 199 30.313 25.332 14.041 1.00 36.05 C +ATOM 292 O SER B 199 30.015 24.511 14.898 1.00 37.24 O +ATOM 293 CB SER B 199 32.404 26.614 14.361 1.00 35.60 C +ATOM 294 OG SER B 199 33.764 26.745 13.966 1.00 47.48 O +ATOM 295 N LEU B 200 29.431 26.151 13.458 1.00 34.52 N +ATOM 296 CA LEU B 200 28.003 26.117 13.777 1.00 32.68 C +ATOM 297 C LEU B 200 27.281 24.936 13.091 1.00 33.57 C +ATOM 298 O LEU B 200 26.050 24.808 13.182 1.00 34.07 O +ATOM 299 CB LEU B 200 27.329 27.418 13.333 1.00 31.00 C +ATOM 300 CG LEU B 200 27.762 28.737 13.958 1.00 36.88 C +ATOM 301 CD1 LEU B 200 27.093 29.904 13.200 1.00 27.86 C +ATOM 302 CD2 LEU B 200 27.381 28.742 15.458 1.00 35.27 C +ATOM 303 N GLY B 201 28.018 24.110 12.359 1.00 33.19 N +ATOM 304 CA GLY B 201 27.409 22.990 11.632 1.00 34.40 C +ATOM 305 C GLY B 201 26.468 23.424 10.521 1.00 33.94 C +ATOM 306 O GLY B 201 25.511 22.712 10.191 1.00 32.68 O +ATOM 307 N VAL B 202 26.751 24.575 9.912 1.00 32.08 N +ATOM 308 CA VAL B 202 25.890 25.101 8.857 1.00 30.13 C +ATOM 309 C VAL B 202 26.527 24.948 7.483 1.00 27.64 C +ATOM 310 O VAL B 202 27.624 25.460 7.216 1.00 30.80 O +ATOM 311 CB VAL B 202 25.562 26.577 9.113 1.00 30.61 C +ATOM 312 CG1 VAL B 202 24.755 27.166 7.938 1.00 27.26 C +ATOM 313 CG2 VAL B 202 24.832 26.718 10.469 1.00 30.92 C +ATOM 314 N GLU B 203 25.804 24.274 6.604 1.00 28.13 N +ATOM 315 CA GLU B 203 26.218 24.084 5.207 1.00 31.14 C +ATOM 316 C GLU B 203 26.005 25.354 4.380 1.00 29.97 C +ATOM 317 O GLU B 203 24.906 25.973 4.385 1.00 29.65 O +ATOM 318 CB GLU B 203 25.440 22.908 4.584 1.00 36.68 C +ATOM 319 CG GLU B 203 26.143 22.232 3.378 1.00 51.16 C +ATOM 320 CD GLU B 203 27.281 21.264 3.788 1.00 65.31 C +ATOM 321 OE1 GLU B 203 27.647 21.171 4.995 1.00 69.55 O +ATOM 322 OE2 GLU B 203 27.815 20.594 2.880 1.00 69.53 O +ATOM 323 N CYS B 204 27.041 25.734 3.640 1.00 28.60 N +ATOM 324 CA CYS B 204 27.019 26.965 2.852 1.00 26.20 C +ATOM 325 C CYS B 204 27.257 26.706 1.391 1.00 24.52 C +ATOM 326 O CYS B 204 28.038 25.831 1.039 1.00 22.81 O +ATOM 327 CB CYS B 204 28.129 27.885 3.330 1.00 29.41 C +ATOM 328 SG CYS B 204 27.991 28.318 5.055 1.00 36.48 S +ATOM 329 N ASN B 205 26.604 27.489 0.553 1.00 21.31 N +ATOM 330 CA ASN B 205 26.962 27.575 -0.850 1.00 22.14 C +ATOM 331 C ASN B 205 28.053 28.630 -0.979 1.00 22.30 C +ATOM 332 O ASN B 205 27.881 29.755 -0.542 1.00 27.11 O +ATOM 333 CB ASN B 205 25.744 27.953 -1.719 1.00 19.32 C +ATOM 334 CG ASN B 205 24.659 26.853 -1.737 1.00 27.48 C +ATOM 335 OD1 ASN B 205 24.944 25.704 -1.502 1.00 26.08 O +ATOM 336 ND2 ASN B 205 23.414 27.231 -2.051 1.00 30.32 N +ATOM 337 N VAL B 206 29.193 28.259 -1.555 1.00 21.41 N +ATOM 338 CA VAL B 206 30.299 29.192 -1.729 1.00 22.28 C +ATOM 339 C VAL B 206 30.557 29.442 -3.224 1.00 23.85 C +ATOM 340 O VAL B 206 30.709 28.488 -4.000 1.00 22.20 O +ATOM 341 CB VAL B 206 31.593 28.667 -1.106 1.00 23.16 C +ATOM 342 CG1 VAL B 206 32.702 29.712 -1.283 1.00 23.57 C +ATOM 343 CG2 VAL B 206 31.388 28.296 0.358 1.00 19.46 C +ATOM 344 N LEU B 207 30.592 30.716 -3.611 1.00 23.99 N +ATOM 345 CA LEU B 207 31.001 31.116 -4.968 1.00 22.78 C +ATOM 346 C LEU B 207 32.327 31.871 -4.865 1.00 24.97 C +ATOM 347 O LEU B 207 32.388 32.978 -4.296 1.00 20.15 O +ATOM 348 CB LEU B 207 29.927 31.993 -5.616 1.00 24.88 C +ATOM 349 CG LEU B 207 30.131 32.285 -7.116 1.00 34.95 C +ATOM 350 CD1 LEU B 207 30.158 31.001 -7.981 1.00 36.15 C +ATOM 351 CD2 LEU B 207 29.042 33.241 -7.595 1.00 35.42 C +ATOM 352 N GLU B 208 33.385 31.237 -5.367 1.00 25.79 N +ATOM 353 CA GLU B 208 34.757 31.767 -5.336 1.00 25.50 C +ATOM 354 C GLU B 208 34.948 32.606 -6.587 1.00 27.91 C +ATOM 355 O GLU B 208 35.076 32.065 -7.712 1.00 27.30 O +ATOM 356 CB GLU B 208 35.780 30.625 -5.332 1.00 27.40 C +ATOM 357 CG GLU B 208 35.669 29.617 -4.198 1.00 29.74 C +ATOM 358 CD GLU B 208 36.173 30.146 -2.830 1.00 38.36 C +ATOM 359 OE1 GLU B 208 36.511 31.360 -2.717 1.00 33.32 O +ATOM 360 OE2 GLU B 208 36.224 29.335 -1.857 1.00 34.09 O +ATOM 361 N LEU B 209 34.947 33.923 -6.387 1.00 25.61 N +ATOM 362 CA LEU B 209 34.947 34.884 -7.464 1.00 26.33 C +ATOM 363 C LEU B 209 36.248 34.837 -8.290 1.00 30.95 C +ATOM 364 O LEU B 209 36.241 35.142 -9.501 1.00 29.52 O +ATOM 365 CB LEU B 209 34.678 36.298 -6.929 1.00 27.26 C +ATOM 366 CG LEU B 209 33.267 36.503 -6.369 1.00 31.75 C +ATOM 367 CD1 LEU B 209 33.175 37.771 -5.561 1.00 31.73 C +ATOM 368 CD2 LEU B 209 32.226 36.490 -7.497 1.00 34.73 C +ATOM 369 N ASP B 210 37.338 34.419 -7.649 1.00 34.07 N +ATOM 370 CA ASP B 210 38.626 34.241 -8.345 1.00 34.38 C +ATOM 371 C ASP B 210 38.683 32.970 -9.212 1.00 35.63 C +ATOM 372 O ASP B 210 39.648 32.788 -9.978 1.00 37.05 O +ATOM 373 CB ASP B 210 39.774 34.195 -7.328 1.00 33.40 C +ATOM 374 CG ASP B 210 39.691 32.982 -6.411 1.00 28.29 C +ATOM 375 OD1 ASP B 210 38.650 32.812 -5.710 1.00 40.80 O +ATOM 376 OD2 ASP B 210 40.659 32.198 -6.380 1.00 41.53 O +ATOM 377 N GLN B 211 37.690 32.086 -9.073 1.00 35.08 N +ATOM 378 CA GLN B 211 37.669 30.803 -9.798 1.00 34.87 C +ATOM 379 C GLN B 211 36.582 30.706 -10.868 1.00 37.33 C +ATOM 380 O GLN B 211 36.555 29.740 -11.628 1.00 38.81 O +ATOM 381 CB GLN B 211 37.527 29.638 -8.815 1.00 34.86 C +ATOM 382 CG GLN B 211 38.777 29.433 -7.930 1.00 42.74 C +ATOM 383 CD GLN B 211 38.628 28.313 -6.884 1.00 51.45 C +ATOM 384 OE1 GLN B 211 39.589 27.968 -6.201 1.00 56.03 O +ATOM 385 NE2 GLN B 211 37.425 27.758 -6.756 1.00 50.72 N +ATOM 386 N VAL B 212 35.684 31.687 -10.937 1.00 36.91 N +ATOM 387 CA VAL B 212 34.677 31.703 -11.991 1.00 38.67 C +ATOM 388 C VAL B 212 35.210 32.494 -13.193 1.00 40.77 C +ATOM 389 O VAL B 212 35.989 33.450 -13.031 1.00 38.07 O +ATOM 390 CB VAL B 212 33.331 32.304 -11.510 1.00 39.26 C +ATOM 391 CG1 VAL B 212 32.745 31.457 -10.389 1.00 37.99 C +ATOM 392 CG2 VAL B 212 33.516 33.738 -11.059 1.00 36.35 C +ATOM 393 N ASP B 213 34.808 32.075 -14.396 1.00 44.50 N +ATOM 394 CA ASP B 213 35.108 32.842 -15.607 1.00 48.87 C +ATOM 395 C ASP B 213 34.362 34.193 -15.513 1.00 50.32 C +ATOM 396 O ASP B 213 33.161 34.241 -15.199 1.00 49.45 O +ATOM 397 CB ASP B 213 34.725 32.065 -16.886 1.00 48.94 C +ATOM 398 N ASP B 214 35.100 35.284 -15.732 1.00 50.57 N +ATOM 399 CA ASP B 214 34.553 36.636 -15.691 1.00 51.11 C +ATOM 400 C ASP B 214 34.162 37.056 -14.263 1.00 48.08 C +ATOM 401 O ASP B 214 33.135 37.679 -14.064 1.00 47.11 O +ATOM 402 CB ASP B 214 33.353 36.744 -16.655 1.00 52.09 C +ATOM 403 CG ASP B 214 33.384 38.018 -17.507 1.00 62.52 C +ATOM 404 OD1 ASP B 214 34.411 38.747 -17.507 1.00 68.15 O +ATOM 405 OD2 ASP B 214 32.371 38.274 -18.198 1.00 67.50 O +ATOM 406 N GLY B 215 35.005 36.720 -13.284 1.00 47.63 N +ATOM 407 CA GLY B 215 34.782 37.060 -11.871 1.00 46.49 C +ATOM 408 C GLY B 215 34.789 38.550 -11.565 1.00 46.56 C +ATOM 409 O GLY B 215 34.225 38.987 -10.561 1.00 44.21 O +ATOM 410 N ALA B 216 35.447 39.328 -12.423 1.00 48.07 N +ATOM 411 CA ALA B 216 35.419 40.789 -12.342 1.00 48.73 C +ATOM 412 C ALA B 216 34.013 41.322 -12.632 1.00 45.69 C +ATOM 413 O ALA B 216 33.483 42.146 -11.882 1.00 42.52 O +ATOM 414 CB ALA B 216 36.437 41.392 -13.337 1.00 49.90 C +ATOM 415 N ARG B 217 33.429 40.838 -13.730 1.00 44.98 N +ATOM 416 CA ARG B 217 32.068 41.193 -14.125 1.00 45.62 C +ATOM 417 C ARG B 217 31.052 40.714 -13.077 1.00 43.17 C +ATOM 418 O ARG B 217 30.032 41.356 -12.863 1.00 42.71 O +ATOM 419 CB ARG B 217 31.725 40.594 -15.500 1.00 47.06 C +ATOM 420 CG ARG B 217 30.714 41.406 -16.303 1.00 49.97 C +ATOM 421 CD ARG B 217 31.418 42.474 -17.125 1.00 57.96 C +ATOM 422 NE ARG B 217 30.503 43.480 -17.659 1.00 66.91 N +ATOM 423 CZ ARG B 217 30.831 44.392 -18.576 1.00 73.27 C +ATOM 424 NH1 ARG B 217 32.060 44.437 -19.097 1.00 75.25 N +ATOM 425 NH2 ARG B 217 29.916 45.260 -18.987 1.00 75.91 N +ATOM 426 N VAL B 218 31.326 39.580 -12.441 1.00 40.99 N +ATOM 427 CA VAL B 218 30.479 39.081 -11.347 1.00 40.31 C +ATOM 428 C VAL B 218 30.562 39.965 -10.099 1.00 39.25 C +ATOM 429 O VAL B 218 29.547 40.240 -9.473 1.00 40.58 O +ATOM 430 CB VAL B 218 30.828 37.619 -10.966 1.00 40.44 C +ATOM 431 CG1 VAL B 218 29.944 37.127 -9.817 1.00 36.01 C +ATOM 432 CG2 VAL B 218 30.697 36.697 -12.188 1.00 44.43 C +ATOM 433 N GLN B 219 31.760 40.410 -9.738 1.00 38.30 N +ATOM 434 CA GLN B 219 31.919 41.291 -8.574 1.00 40.12 C +ATOM 435 C GLN B 219 31.241 42.636 -8.818 1.00 40.09 C +ATOM 436 O GLN B 219 30.621 43.201 -7.917 1.00 36.22 O +ATOM 437 CB GLN B 219 33.399 41.501 -8.232 1.00 41.56 C +ATOM 438 CG GLN B 219 33.657 42.002 -6.807 1.00 46.31 C +ATOM 439 CD GLN B 219 35.028 41.581 -6.283 1.00 52.90 C +ATOM 440 N GLU B 220 31.367 43.133 -10.049 1.00 41.99 N +ATOM 441 CA GLU B 220 30.694 44.360 -10.477 1.00 42.99 C +ATOM 442 C GLU B 220 29.174 44.248 -10.283 1.00 40.16 C +ATOM 443 O GLU B 220 28.562 45.086 -9.621 1.00 37.50 O +ATOM 444 CB GLU B 220 31.033 44.647 -11.944 1.00 43.70 C +ATOM 445 CG GLU B 220 30.663 46.037 -12.418 1.00 53.01 C +ATOM 446 CD GLU B 220 31.307 46.379 -13.753 1.00 63.74 C +ATOM 447 OE1 GLU B 220 31.399 45.484 -14.621 1.00 66.16 O +ATOM 448 OE2 GLU B 220 31.724 47.541 -13.936 1.00 71.34 O +ATOM 449 N VAL B 221 28.576 43.191 -10.830 1.00 39.19 N +ATOM 450 CA VAL B 221 27.118 42.993 -10.722 1.00 40.05 C +ATOM 451 C VAL B 221 26.681 42.744 -9.278 1.00 40.11 C +ATOM 452 O VAL B 221 25.629 43.203 -8.845 1.00 41.30 O +ATOM 453 CB VAL B 221 26.628 41.827 -11.616 1.00 40.24 C +ATOM 454 CG1 VAL B 221 25.216 41.388 -11.210 1.00 40.28 C +ATOM 455 CG2 VAL B 221 26.672 42.233 -13.073 1.00 39.92 C +ATOM 456 N LEU B 222 27.508 42.026 -8.536 1.00 39.88 N +ATOM 457 CA LEU B 222 27.253 41.796 -7.119 1.00 42.23 C +ATOM 458 C LEU B 222 27.264 43.098 -6.311 1.00 42.49 C +ATOM 459 O LEU B 222 26.482 43.244 -5.385 1.00 43.31 O +ATOM 460 CB LEU B 222 28.268 40.787 -6.571 1.00 40.85 C +ATOM 461 CG LEU B 222 28.073 40.262 -5.156 1.00 42.85 C +ATOM 462 CD1 LEU B 222 26.736 39.498 -5.017 1.00 29.73 C +ATOM 463 CD2 LEU B 222 29.263 39.370 -4.804 1.00 33.85 C +ATOM 464 N SER B 223 28.131 44.043 -6.668 1.00 43.67 N +ATOM 465 CA SER B 223 28.152 45.376 -6.014 1.00 45.92 C +ATOM 466 C SER B 223 26.909 46.204 -6.340 1.00 45.80 C +ATOM 467 O SER B 223 26.500 47.049 -5.536 1.00 47.95 O +ATOM 468 CB SER B 223 29.395 46.191 -6.428 1.00 47.01 C +ATOM 469 OG SER B 223 30.608 45.538 -6.076 1.00 44.51 O +ATOM 470 N GLU B 224 26.331 45.975 -7.521 1.00 45.96 N +ATOM 471 CA GLU B 224 25.091 46.646 -7.911 1.00 48.39 C +ATOM 472 C GLU B 224 23.950 46.168 -7.024 1.00 49.03 C +ATOM 473 O GLU B 224 23.219 46.971 -6.459 1.00 49.11 O +ATOM 474 CB GLU B 224 24.745 46.393 -9.385 1.00 48.86 C +ATOM 475 CG GLU B 224 25.784 46.890 -10.398 1.00 57.14 C +ATOM 476 CD GLU B 224 25.972 48.408 -10.402 1.00 70.41 C +ATOM 477 OE1 GLU B 224 25.052 49.139 -9.961 1.00 82.06 O +ATOM 478 OE2 GLU B 224 27.042 48.871 -10.863 1.00 68.42 O +ATOM 479 N ILE B 225 23.824 44.851 -6.892 1.00 49.38 N +ATOM 480 CA ILE B 225 22.823 44.244 -6.003 1.00 48.66 C +ATOM 481 C ILE B 225 22.998 44.646 -4.553 1.00 47.29 C +ATOM 482 O ILE B 225 22.059 45.085 -3.927 1.00 51.62 O +ATOM 483 CB ILE B 225 22.877 42.699 -6.031 1.00 49.84 C +ATOM 484 CG1 ILE B 225 22.517 42.148 -7.416 1.00 53.44 C +ATOM 485 CG2 ILE B 225 21.925 42.128 -4.997 1.00 53.21 C +ATOM 486 CD1 ILE B 225 22.705 40.647 -7.550 1.00 55.14 C +ATOM 487 N THR B 226 24.202 44.494 -4.017 1.00 47.08 N +ATOM 488 CA THR B 226 24.417 44.560 -2.557 1.00 44.08 C +ATOM 489 C THR B 226 24.891 45.901 -2.057 1.00 44.81 C +ATOM 490 O THR B 226 24.939 46.109 -0.841 1.00 48.63 O +ATOM 491 CB THR B 226 25.470 43.545 -2.112 1.00 42.38 C +ATOM 492 OG1 THR B 226 26.727 43.828 -2.744 1.00 35.45 O +ATOM 493 CG2 THR B 226 25.038 42.177 -2.504 1.00 40.38 C +ATOM 494 N ASN B 227 25.275 46.790 -2.973 1.00 43.63 N +ATOM 495 CA ASN B 227 25.926 48.048 -2.599 1.00 47.38 C +ATOM 496 C ASN B 227 27.188 47.815 -1.734 1.00 46.00 C +ATOM 497 O ASN B 227 27.559 48.659 -0.910 1.00 46.47 O +ATOM 498 CB ASN B 227 24.934 48.990 -1.876 1.00 51.36 C +ATOM 499 CG ASN B 227 23.896 49.624 -2.822 1.00 54.79 C +ATOM 500 OD1 ASN B 227 23.491 49.034 -3.834 1.00 57.38 O +ATOM 501 ND2 ASN B 227 23.455 50.832 -2.472 1.00 58.57 N +ATOM 502 N GLN B 228 27.839 46.664 -1.931 1.00 42.61 N +ATOM 503 CA GLN B 228 29.074 46.317 -1.215 1.00 39.23 C +ATOM 504 C GLN B 228 30.106 45.895 -2.248 1.00 39.17 C +ATOM 505 O GLN B 228 29.814 45.083 -3.142 1.00 38.37 O +ATOM 506 CB GLN B 228 28.808 45.193 -0.215 1.00 37.66 C +ATOM 507 CG GLN B 228 30.054 44.640 0.521 1.00 42.08 C +ATOM 508 CD GLN B 228 29.719 43.490 1.494 1.00 38.02 C +ATOM 509 OE1 GLN B 228 28.704 43.535 2.199 1.00 41.48 O +ATOM 510 NE2 GLN B 228 30.573 42.455 1.526 1.00 23.47 N +ATOM 511 N LYS B 229 31.306 46.452 -2.134 1.00 42.15 N +ATOM 512 CA LYS B 229 32.370 46.223 -3.121 1.00 44.04 C +ATOM 513 C LYS B 229 33.364 45.114 -2.728 1.00 43.35 C +ATOM 514 O LYS B 229 34.063 44.582 -3.597 1.00 44.53 O +ATOM 515 CB LYS B 229 33.121 47.535 -3.378 1.00 45.88 C +ATOM 516 CG LYS B 229 32.232 48.666 -3.884 1.00 50.20 C +ATOM 517 CD LYS B 229 33.042 49.918 -4.175 1.00 57.96 C +ATOM 518 N THR B 230 33.408 44.761 -1.438 1.00 38.44 N +ATOM 519 CA THR B 230 34.389 43.805 -0.903 1.00 36.81 C +ATOM 520 C THR B 230 33.839 42.378 -0.799 1.00 34.57 C +ATOM 521 O THR B 230 32.632 42.166 -0.796 1.00 31.51 O +ATOM 522 CB THR B 230 34.888 44.235 0.514 1.00 37.51 C +ATOM 523 OG1 THR B 230 33.765 44.520 1.363 1.00 36.67 O +ATOM 524 CG2 THR B 230 35.760 45.480 0.425 1.00 39.94 C +ATOM 525 N VAL B 231 34.751 41.411 -0.723 1.00 31.13 N +ATOM 526 CA VAL B 231 34.427 40.050 -0.296 1.00 28.97 C +ATOM 527 C VAL B 231 35.169 39.807 1.027 1.00 27.26 C +ATOM 528 O VAL B 231 36.224 40.398 1.252 1.00 27.13 O +ATOM 529 CB VAL B 231 34.826 38.967 -1.373 1.00 28.19 C +ATOM 530 CG1 VAL B 231 34.277 39.354 -2.738 1.00 33.36 C +ATOM 531 CG2 VAL B 231 36.327 38.783 -1.430 1.00 30.82 C +ATOM 532 N PRO B 232 34.648 38.915 1.884 1.00 25.26 N +ATOM 533 CA PRO B 232 33.457 38.106 1.623 1.00 24.11 C +ATOM 534 C PRO B 232 32.162 38.897 1.667 1.00 23.76 C +ATOM 535 O PRO B 232 32.124 40.021 2.194 1.00 22.89 O +ATOM 536 CB PRO B 232 33.502 37.037 2.728 1.00 26.47 C +ATOM 537 CG PRO B 232 34.225 37.708 3.849 1.00 26.28 C +ATOM 538 CD PRO B 232 35.301 38.524 3.139 1.00 24.11 C +ATOM 539 N ASN B 233 31.113 38.309 1.100 1.00 22.61 N +ATOM 540 CA ASN B 233 29.805 38.937 1.050 1.00 21.60 C +ATOM 541 C ASN B 233 28.814 37.807 1.304 1.00 21.98 C +ATOM 542 O ASN B 233 28.703 36.839 0.504 1.00 21.33 O +ATOM 543 CB ASN B 233 29.621 39.593 -0.327 1.00 22.87 C +ATOM 544 CG ASN B 233 28.461 40.595 -0.380 1.00 31.90 C +ATOM 545 OD1 ASN B 233 27.574 40.600 0.477 1.00 37.11 O +ATOM 546 ND2 ASN B 233 28.464 41.437 -1.405 1.00 29.22 N +ATOM 547 N ILE B 234 28.151 37.893 2.456 1.00 16.07 N +ATOM 548 CA ILE B 234 27.376 36.813 3.003 1.00 13.29 C +ATOM 549 C ILE B 234 25.901 37.171 2.944 1.00 14.84 C +ATOM 550 O ILE B 234 25.512 38.277 3.351 1.00 14.80 O +ATOM 551 CB ILE B 234 27.775 36.590 4.524 1.00 15.62 C +ATOM 552 CG1 ILE B 234 29.233 36.164 4.627 1.00 22.55 C +ATOM 553 CG2 ILE B 234 26.967 35.526 5.195 1.00 16.69 C +ATOM 554 CD1 ILE B 234 30.173 37.267 4.501 1.00 27.45 C +ATOM 555 N PHE B 235 25.095 36.208 2.465 1.00 15.08 N +ATOM 556 CA PHE B 235 23.656 36.229 2.601 1.00 14.41 C +ATOM 557 C PHE B 235 23.217 35.065 3.449 1.00 13.98 C +ATOM 558 O PHE B 235 23.728 33.941 3.295 1.00 14.72 O +ATOM 559 CB PHE B 235 23.010 36.123 1.244 1.00 14.92 C +ATOM 560 CG PHE B 235 23.065 37.377 0.488 1.00 11.75 C +ATOM 561 CD1 PHE B 235 21.974 38.219 0.465 1.00 21.51 C +ATOM 562 CD2 PHE B 235 24.228 37.731 -0.209 1.00 19.04 C +ATOM 563 CE1 PHE B 235 22.028 39.438 -0.254 1.00 23.90 C +ATOM 564 CE2 PHE B 235 24.298 38.918 -0.908 1.00 22.49 C +ATOM 565 CZ PHE B 235 23.195 39.784 -0.918 1.00 21.35 C +ATOM 566 N VAL B 236 22.280 35.320 4.356 1.00 15.87 N +ATOM 567 CA VAL B 236 21.628 34.222 5.089 1.00 16.04 C +ATOM 568 C VAL B 236 20.098 34.300 4.918 1.00 15.58 C +ATOM 569 O VAL B 236 19.477 35.276 5.327 1.00 16.40 O +ATOM 570 CB VAL B 236 21.965 34.260 6.572 1.00 18.42 C +ATOM 571 CG1 VAL B 236 21.281 33.094 7.300 1.00 10.54 C +ATOM 572 CG2 VAL B 236 23.461 34.226 6.777 1.00 9.75 C +ATOM 573 N ASN B 237 19.512 33.259 4.331 1.00 13.51 N +ATOM 574 CA ASN B 237 18.057 33.183 4.121 1.00 15.78 C +ATOM 575 C ASN B 237 17.503 34.401 3.390 1.00 18.73 C +ATOM 576 O ASN B 237 16.471 34.956 3.750 1.00 21.29 O +ATOM 577 CB ASN B 237 17.327 32.875 5.451 1.00 20.04 C +ATOM 578 CG ASN B 237 17.331 31.370 5.763 1.00 25.49 C +ATOM 579 OD1 ASN B 237 17.232 30.572 4.847 1.00 26.67 O +ATOM 580 ND2 ASN B 237 17.486 30.993 7.029 1.00 21.53 N +ATOM 581 N LYS B 238 18.249 34.796 2.356 1.00 19.59 N +ATOM 582 CA LYS B 238 17.936 35.908 1.467 1.00 22.14 C +ATOM 583 C LYS B 238 18.258 37.279 2.018 1.00 21.58 C +ATOM 584 O LYS B 238 18.005 38.258 1.340 1.00 23.79 O +ATOM 585 CB LYS B 238 16.469 35.889 0.986 1.00 20.50 C +ATOM 586 CG LYS B 238 15.945 34.541 0.458 1.00 31.00 C +ATOM 587 CD LYS B 238 14.453 34.659 0.144 1.00 38.41 C +ATOM 588 CE LYS B 238 13.912 33.554 -0.766 1.00 52.64 C +ATOM 589 NZ LYS B 238 13.464 32.327 -0.027 1.00 49.73 N +ATOM 590 N VAL B 239 18.855 37.365 3.205 1.00 21.25 N +ATOM 591 CA VAL B 239 19.098 38.653 3.853 1.00 14.00 C +ATOM 592 C VAL B 239 20.578 38.883 3.771 1.00 17.85 C +ATOM 593 O VAL B 239 21.373 38.042 4.198 1.00 17.55 O +ATOM 594 CB VAL B 239 18.624 38.625 5.369 1.00 17.16 C +ATOM 595 CG1 VAL B 239 18.968 39.937 6.137 1.00 16.83 C +ATOM 596 CG2 VAL B 239 17.123 38.312 5.473 1.00 16.97 C +ATOM 597 N HIS B 240 20.954 40.052 3.266 1.00 18.83 N +ATOM 598 CA HIS B 240 22.352 40.426 3.164 1.00 18.41 C +ATOM 599 C HIS B 240 22.936 40.704 4.541 1.00 18.19 C +ATOM 600 O HIS B 240 22.513 41.631 5.163 1.00 19.82 O +ATOM 601 CB HIS B 240 22.489 41.701 2.310 1.00 18.00 C +ATOM 602 CG HIS B 240 23.908 42.134 2.132 1.00 20.93 C +ATOM 603 ND1 HIS B 240 24.303 43.448 2.222 1.00 26.32 N +ATOM 604 CD2 HIS B 240 25.028 41.416 1.861 1.00 24.58 C +ATOM 605 CE1 HIS B 240 25.602 43.529 1.987 1.00 30.60 C +ATOM 606 NE2 HIS B 240 26.066 42.312 1.764 1.00 26.88 N +ATOM 607 N VAL B 241 23.910 39.912 5.009 1.00 20.61 N +ATOM 608 CA VAL B 241 24.500 40.142 6.344 1.00 19.43 C +ATOM 609 C VAL B 241 25.703 41.068 6.202 1.00 21.95 C +ATOM 610 O VAL B 241 25.912 41.960 7.015 1.00 23.10 O +ATOM 611 CB VAL B 241 24.927 38.829 7.026 1.00 22.98 C +ATOM 612 CG1 VAL B 241 25.745 39.100 8.264 1.00 22.05 C +ATOM 613 CG2 VAL B 241 23.687 37.974 7.366 1.00 21.07 C +ATOM 614 N GLY B 242 26.490 40.874 5.146 1.00 22.85 N +ATOM 615 CA GLY B 242 27.591 41.800 4.844 1.00 19.53 C +ATOM 616 C GLY B 242 28.906 41.077 4.772 1.00 21.13 C +ATOM 617 O GLY B 242 28.962 39.988 4.238 1.00 21.54 O +ATOM 618 N GLY B 243 29.966 41.704 5.293 1.00 23.63 N +ATOM 619 CA GLY B 243 31.294 41.094 5.332 1.00 22.37 C +ATOM 620 C GLY B 243 31.571 40.270 6.578 1.00 21.00 C +ATOM 621 O GLY B 243 30.651 39.912 7.342 1.00 19.99 O +ATOM 622 N CYS B 244 32.853 39.998 6.782 1.00 19.40 N +ATOM 623 CA CYS B 244 33.320 39.142 7.863 1.00 25.59 C +ATOM 624 C CYS B 244 32.977 39.767 9.214 1.00 25.45 C +ATOM 625 O CYS B 244 32.369 39.123 10.062 1.00 25.38 O +ATOM 626 CB CYS B 244 34.837 38.916 7.765 1.00 25.95 C +ATOM 627 SG CYS B 244 35.501 37.760 9.016 1.00 31.83 S +ATOM 628 N ASP B 245 33.359 41.026 9.393 1.00 27.15 N +ATOM 629 CA ASP B 245 33.141 41.742 10.663 1.00 29.17 C +ATOM 630 C ASP B 245 31.658 41.766 11.008 1.00 25.56 C +ATOM 631 O ASP B 245 31.279 41.453 12.139 1.00 21.37 O +ATOM 632 CB ASP B 245 33.678 43.188 10.574 1.00 33.18 C +ATOM 633 CG ASP B 245 35.226 43.252 10.502 1.00 49.37 C +ATOM 634 OD1 ASP B 245 35.906 42.313 10.992 1.00 51.82 O +ATOM 635 OD2 ASP B 245 35.754 44.244 9.945 1.00 58.69 O +ATOM 636 N GLN B 246 30.820 42.073 10.016 1.00 21.47 N +ATOM 637 CA GLN B 246 29.377 42.156 10.241 1.00 19.01 C +ATOM 638 C GLN B 246 28.787 40.815 10.578 1.00 19.04 C +ATOM 639 O GLN B 246 27.851 40.731 11.403 1.00 18.81 O +ATOM 640 CB GLN B 246 28.678 42.786 9.041 1.00 20.47 C +ATOM 641 CG GLN B 246 28.966 44.271 8.929 1.00 23.71 C +ATOM 642 CD GLN B 246 28.621 44.828 7.556 1.00 34.92 C +ATOM 643 OE1 GLN B 246 29.113 44.338 6.568 1.00 24.58 O +ATOM 644 NE2 GLN B 246 27.783 45.861 7.504 1.00 36.27 N +ATOM 645 N THR B 247 29.351 39.762 9.966 1.00 15.90 N +ATOM 646 CA THR B 247 28.931 38.422 10.240 1.00 16.39 C +ATOM 647 C THR B 247 29.256 37.977 11.662 1.00 18.20 C +ATOM 648 O THR B 247 28.443 37.296 12.309 1.00 16.65 O +ATOM 649 CB THR B 247 29.492 37.449 9.205 1.00 19.84 C +ATOM 650 OG1 THR B 247 28.986 37.790 7.901 1.00 22.51 O +ATOM 651 CG2 THR B 247 29.060 36.053 9.519 1.00 20.84 C +ATOM 652 N PHE B 248 30.435 38.346 12.153 1.00 17.05 N +ATOM 653 CA PHE B 248 30.801 38.079 13.561 1.00 19.46 C +ATOM 654 C PHE B 248 29.967 38.926 14.524 1.00 16.43 C +ATOM 655 O PHE B 248 29.507 38.448 15.539 1.00 19.49 O +ATOM 656 CB PHE B 248 32.334 38.182 13.796 1.00 17.74 C +ATOM 657 CG PHE B 248 33.077 36.896 13.412 1.00 19.66 C +ATOM 658 CD1 PHE B 248 33.242 35.881 14.326 1.00 13.80 C +ATOM 659 CD2 PHE B 248 33.519 36.692 12.128 1.00 15.10 C +ATOM 660 CE1 PHE B 248 33.865 34.688 13.981 1.00 21.92 C +ATOM 661 CE2 PHE B 248 34.133 35.495 11.762 1.00 16.48 C +ATOM 662 CZ PHE B 248 34.313 34.497 12.691 1.00 22.27 C +ATOM 663 N GLN B 249 29.714 40.172 14.187 1.00 17.21 N +ATOM 664 CA GLN B 249 28.774 41.002 14.973 1.00 18.91 C +ATOM 665 C GLN B 249 27.381 40.410 15.083 1.00 20.57 C +ATOM 666 O GLN B 249 26.816 40.355 16.180 1.00 20.30 O +ATOM 667 CB GLN B 249 28.712 42.410 14.385 1.00 22.44 C +ATOM 668 CG GLN B 249 30.010 43.215 14.663 1.00 32.48 C +ATOM 669 CD GLN B 249 30.268 44.375 13.659 1.00 51.55 C +ATOM 670 OE1 GLN B 249 29.449 44.674 12.779 1.00 60.06 O +ATOM 671 NE2 GLN B 249 31.426 45.014 13.796 1.00 51.57 N +ATOM 672 N ALA B 250 26.843 39.918 13.968 1.00 18.95 N +ATOM 673 CA ALA B 250 25.566 39.201 13.983 1.00 15.53 C +ATOM 674 C ALA B 250 25.624 37.965 14.853 1.00 15.07 C +ATOM 675 O ALA B 250 24.622 37.601 15.524 1.00 16.93 O +ATOM 676 CB ALA B 250 25.142 38.791 12.563 1.00 12.98 C +ATOM 677 N TYR B 251 26.776 37.298 14.849 1.00 18.44 N +ATOM 678 CA TYR B 251 26.952 36.114 15.705 1.00 17.63 C +ATOM 679 C TYR B 251 26.873 36.527 17.180 1.00 18.30 C +ATOM 680 O TYR B 251 26.145 35.930 17.958 1.00 19.05 O +ATOM 681 CB TYR B 251 28.285 35.417 15.404 1.00 19.48 C +ATOM 682 CG TYR B 251 28.524 34.114 16.175 1.00 17.72 C +ATOM 683 CD1 TYR B 251 27.522 33.161 16.320 1.00 17.86 C +ATOM 684 CD2 TYR B 251 29.769 33.817 16.721 1.00 25.19 C +ATOM 685 CE1 TYR B 251 27.751 31.941 17.030 1.00 15.37 C +ATOM 686 CE2 TYR B 251 30.012 32.592 17.421 1.00 20.22 C +ATOM 687 CZ TYR B 251 29.008 31.684 17.583 1.00 21.38 C +ATOM 688 OH TYR B 251 29.252 30.505 18.275 1.00 30.93 O +ATOM 689 N GLN B 252 27.584 37.589 17.521 1.00 18.41 N +ATOM 690 CA GLN B 252 27.623 38.104 18.880 1.00 20.16 C +ATOM 691 C GLN B 252 26.280 38.596 19.401 1.00 23.99 C +ATOM 692 O GLN B 252 25.963 38.366 20.590 1.00 20.98 O +ATOM 693 CB GLN B 252 28.639 39.247 19.007 1.00 21.27 C +ATOM 694 CG GLN B 252 28.726 39.788 20.441 1.00 22.79 C +ATOM 695 CD GLN B 252 29.434 41.095 20.557 1.00 24.77 C +ATOM 696 OE1 GLN B 252 29.062 41.897 21.395 1.00 28.81 O +ATOM 697 NE2 GLN B 252 30.462 41.330 19.728 1.00 20.08 N +ATOM 698 N SER B 253 25.514 39.285 18.543 1.00 18.39 N +ATOM 699 CA SER B 253 24.226 39.857 18.949 1.00 20.27 C +ATOM 700 C SER B 253 23.067 38.835 19.088 1.00 20.98 C +ATOM 701 O SER B 253 22.073 39.112 19.767 1.00 22.83 O +ATOM 702 CB SER B 253 23.793 40.927 17.950 1.00 15.41 C +ATOM 703 OG SER B 253 23.378 40.296 16.742 1.00 20.79 O +ATOM 704 N GLY B 254 23.211 37.676 18.461 1.00 17.30 N +ATOM 705 CA GLY B 254 22.159 36.678 18.367 1.00 15.65 C +ATOM 706 C GLY B 254 21.401 36.737 17.023 1.00 18.23 C +ATOM 707 O GLY B 254 20.572 35.863 16.724 1.00 19.44 O +ATOM 708 N LEU B 255 21.664 37.771 16.221 1.00 16.06 N +ATOM 709 CA LEU B 255 20.944 37.976 14.958 1.00 17.96 C +ATOM 710 C LEU B 255 21.214 36.868 13.952 1.00 17.50 C +ATOM 711 O LEU B 255 20.303 36.439 13.242 1.00 22.08 O +ATOM 712 CB LEU B 255 21.316 39.323 14.325 1.00 23.09 C +ATOM 713 CG LEU B 255 20.896 39.568 12.867 1.00 30.18 C +ATOM 714 CD1 LEU B 255 19.397 39.546 12.746 1.00 38.69 C +ATOM 715 CD2 LEU B 255 21.424 40.885 12.344 1.00 28.41 C +ATOM 716 N LEU B 256 22.449 36.373 13.906 1.00 17.44 N +ATOM 717 CA LEU B 256 22.798 35.302 12.944 1.00 18.42 C +ATOM 718 C LEU B 256 22.030 34.022 13.209 1.00 17.41 C +ATOM 719 O LEU B 256 21.483 33.420 12.282 1.00 24.07 O +ATOM 720 CB LEU B 256 24.291 35.028 12.938 1.00 17.76 C +ATOM 721 CG LEU B 256 24.820 34.167 11.804 1.00 26.84 C +ATOM 722 CD1 LEU B 256 24.556 34.832 10.467 1.00 19.88 C +ATOM 723 CD2 LEU B 256 26.316 33.953 12.029 1.00 16.86 C +ATOM 724 N GLN B 257 21.919 33.647 14.477 1.00 18.14 N +ATOM 725 CA GLN B 257 21.188 32.432 14.865 1.00 18.00 C +ATOM 726 C GLN B 257 19.700 32.572 14.609 1.00 17.51 C +ATOM 727 O GLN B 257 19.047 31.606 14.244 1.00 16.16 O +ATOM 728 CB GLN B 257 21.450 32.087 16.349 1.00 21.55 C +ATOM 729 N LYS B 258 19.162 33.775 14.792 1.00 18.98 N +ATOM 730 CA LYS B 258 17.758 34.050 14.453 1.00 20.45 C +ATOM 731 C LYS B 258 17.479 33.972 12.942 1.00 16.60 C +ATOM 732 O LYS B 258 16.457 33.476 12.524 1.00 15.80 O +ATOM 733 CB LYS B 258 17.347 35.437 14.965 1.00 21.36 C +ATOM 734 CG LYS B 258 17.059 35.467 16.466 1.00 31.38 C +ATOM 735 CD LYS B 258 15.672 34.836 16.780 1.00 32.16 C +ATOM 736 CE LYS B 258 15.405 34.670 18.292 1.00 38.49 C +ATOM 737 NZ LYS B 258 16.645 34.659 19.120 1.00 34.10 N +ATOM 738 N LEU B 259 18.405 34.452 12.136 1.00 17.43 N +ATOM 739 CA LEU B 259 18.270 34.345 10.680 1.00 17.62 C +ATOM 740 C LEU B 259 18.311 32.892 10.211 1.00 19.59 C +ATOM 741 O LEU B 259 17.648 32.504 9.244 1.00 21.14 O +ATOM 742 CB LEU B 259 19.409 35.090 10.032 1.00 15.02 C +ATOM 743 CG LEU B 259 19.324 36.605 10.173 1.00 18.91 C +ATOM 744 CD1 LEU B 259 20.480 37.207 9.419 1.00 21.80 C +ATOM 745 CD2 LEU B 259 17.974 37.168 9.627 1.00 24.75 C +ATOM 746 N LEU B 260 19.091 32.093 10.923 1.00 23.90 N +ATOM 747 CA LEU B 260 19.262 30.674 10.602 1.00 25.58 C +ATOM 748 C LEU B 260 18.124 29.816 11.127 1.00 26.50 C +ATOM 749 O LEU B 260 17.868 28.766 10.576 1.00 28.26 O +ATOM 750 CB LEU B 260 20.587 30.136 11.153 1.00 22.97 C +ATOM 751 CG LEU B 260 21.875 30.544 10.422 1.00 26.36 C +ATOM 752 CD1 LEU B 260 23.131 30.236 11.339 1.00 23.08 C +ATOM 753 CD2 LEU B 260 21.986 29.832 9.050 1.00 20.16 C +ATOM 754 N GLN B 261 17.419 30.265 12.160 1.00 30.74 N +ATOM 755 CA GLN B 261 16.462 29.392 12.820 1.00 32.31 C +ATOM 756 C GLN B 261 15.139 29.251 12.040 1.00 33.76 C +ATOM 757 O GLN B 261 14.854 29.999 11.090 1.00 31.15 O +ATOM 758 CB GLN B 261 16.271 29.790 14.297 1.00 34.17 C +ATOM 759 CG GLN B 261 15.213 30.868 14.601 1.00 42.65 C +ATOM 760 CD GLN B 261 14.785 30.857 16.093 1.00 47.06 C +ATOM 761 OE1 GLN B 261 15.631 30.857 16.991 1.00 46.53 O +ATOM 762 NE2 GLN B 261 13.469 30.835 16.347 1.00 42.70 N +ATOM 763 N GLU B 262 14.389 28.216 12.409 1.00 37.51 N +ATOM 764 CA GLU B 262 13.070 27.917 11.844 1.00 40.76 C +ATOM 765 C GLU B 262 12.028 28.999 12.201 1.00 39.81 C +ATOM 766 O GLU B 262 11.982 29.503 13.327 1.00 38.52 O +ATOM 767 CB GLU B 262 12.575 26.557 12.355 1.00 39.41 C +ATOM 768 N ASP B 263 11.200 29.342 11.225 1.00 42.40 N +ATOM 769 CA ASP B 263 10.118 30.305 11.417 1.00 44.39 C +ATOM 770 C ASP B 263 8.914 29.675 12.155 1.00 42.07 C +ATOM 771 O ASP B 263 8.637 28.464 12.050 1.00 38.64 O +ATOM 772 CB ASP B 263 9.671 30.905 10.067 1.00 47.23 C +ATOM 773 CG ASP B 263 10.780 31.724 9.375 1.00 58.96 C +ATOM 774 OD1 ASP B 263 11.962 31.573 9.768 1.00 66.45 O +ATOM 775 OD2 ASP B 263 10.474 32.526 8.440 1.00 61.80 O +ATOM 776 N LEU B 264 8.232 30.515 12.930 1.00 36.97 N +ATOM 777 CA LEU B 264 6.998 30.145 13.612 1.00 34.51 C +ATOM 778 C LEU B 264 5.875 30.007 12.577 1.00 31.87 C +ATOM 779 O LEU B 264 5.503 30.993 11.945 1.00 29.44 O +ATOM 780 CB LEU B 264 6.637 31.240 14.645 1.00 33.82 C +ATOM 781 CG LEU B 264 5.308 31.189 15.433 1.00 34.49 C +ATOM 782 CD1 LEU B 264 4.961 29.803 15.748 1.00 21.89 C +ATOM 783 CD2 LEU B 264 5.361 32.004 16.730 1.00 23.68 C +ATOM 784 N ALA B 265 5.364 28.781 12.410 1.00 35.85 N +ATOM 785 CA ALA B 265 4.181 28.492 11.575 1.00 34.81 C +ATOM 786 C ALA B 265 3.083 29.487 11.843 1.00 38.31 C +ATOM 787 O ALA B 265 2.448 29.987 10.912 1.00 36.25 O +ATOM 788 CB ALA B 265 3.638 27.070 11.846 1.00 34.65 C +ATOM 789 N TYR B 266 2.870 29.783 13.126 1.00 38.28 N +ATOM 790 CA TYR B 266 1.753 30.614 13.546 1.00 39.10 C +ATOM 791 C TYR B 266 1.907 32.092 13.134 1.00 40.18 C +ATOM 792 O TYR B 266 0.950 32.865 13.224 1.00 36.05 O +ATOM 793 CB TYR B 266 1.456 30.374 15.050 1.00 40.64 C +ATOM 794 CG TYR B 266 1.084 28.906 15.306 1.00 44.85 C +ATOM 795 CD1 TYR B 266 -0.200 28.423 15.023 1.00 51.27 C +ATOM 796 CD2 TYR B 266 2.037 27.980 15.748 1.00 54.20 C +ATOM 797 CE1 TYR B 266 -0.537 27.066 15.224 1.00 51.50 C +ATOM 798 CE2 TYR B 266 1.708 26.621 15.946 1.00 44.28 C +ATOM 799 CZ TYR B 266 0.427 26.175 15.685 1.00 47.93 C +ATOM 800 OH TYR B 266 0.120 24.845 15.891 1.00 40.60 O +ATOM 801 N ASP B 267 3.090 32.480 12.650 1.00 42.86 N +ATOM 802 CA ASP B 267 3.278 33.813 12.033 1.00 48.07 C +ATOM 803 C ASP B 267 3.081 33.717 10.505 1.00 48.56 C +ATOM 804 O ASP B 267 2.935 34.735 9.845 1.00 46.97 O +ATOM 805 CB ASP B 267 4.671 34.432 12.360 1.00 48.68 C +ATOM 806 CG ASP B 267 4.902 34.693 13.880 1.00 60.94 C +ATOM 807 OD1 ASP B 267 3.945 35.083 14.593 1.00 63.32 O +ATOM 808 OD2 ASP B 267 6.058 34.529 14.365 1.00 57.05 O +ATOM 809 N ALA B 268 3.080 32.484 9.980 1.00 52.34 N +ATOM 810 CA ALA B 268 2.951 32.161 8.543 1.00 52.64 C +ATOM 811 C ALA B 268 4.254 32.434 7.744 1.00 54.45 C +ATOM 812 O ALA B 268 5.209 31.621 7.728 1.00 52.65 O +ATOM 813 CB ALA B 268 1.720 32.888 7.914 1.00 51.96 C Added: SwiftApps/modFTdock/input/3hm5-1.pdb =================================================================== --- SwiftApps/modFTdock/input/3hm5-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/3hm5-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,644 @@ +ATOM 1 N GLN A 134 9.267 23.122 -6.076 1.00 29.91 N +ATOM 2 CA GLN A 134 9.834 22.225 -5.039 1.00 28.86 C +ATOM 3 C GLN A 134 9.683 22.817 -3.616 1.00 27.16 C +ATOM 4 O GLN A 134 9.723 24.018 -3.397 1.00 26.59 O +ATOM 5 CB GLN A 134 11.324 22.009 -5.270 1.00 30.57 C +ATOM 6 CG GLN A 134 11.720 21.386 -6.595 1.00 33.89 C +ATOM 7 CD GLN A 134 13.216 21.420 -6.753 1.00 38.73 C +ATOM 8 OE1 GLN A 134 13.881 22.325 -6.238 1.00 40.52 O +ATOM 9 NE2 GLN A 134 13.760 20.452 -7.476 1.00 42.65 N +ATOM 10 N VAL A 135 9.635 21.926 -2.646 1.00 25.30 N +ATOM 11 CA VAL A 135 9.465 22.330 -1.268 1.00 22.73 C +ATOM 12 C VAL A 135 10.823 22.647 -0.700 1.00 20.78 C +ATOM 13 O VAL A 135 11.729 21.798 -0.734 1.00 20.64 O +ATOM 14 CB VAL A 135 8.745 21.213 -0.509 1.00 22.74 C +ATOM 15 CG1 VAL A 135 8.554 21.552 0.976 1.00 21.57 C +ATOM 16 CG2 VAL A 135 7.417 20.959 -1.186 1.00 20.58 C +ATOM 17 N PRO A 136 10.988 23.852 -0.122 1.00 18.40 N +ATOM 18 CA PRO A 136 12.251 24.148 0.587 1.00 17.57 C +ATOM 19 C PRO A 136 12.556 23.155 1.707 1.00 17.80 C +ATOM 20 O PRO A 136 11.642 22.552 2.250 1.00 18.16 O +ATOM 21 CB PRO A 136 12.011 25.541 1.176 1.00 17.71 C +ATOM 22 CG PRO A 136 10.941 26.122 0.288 1.00 17.31 C +ATOM 23 CD PRO A 136 10.047 24.977 -0.014 1.00 19.74 C +ATOM 24 N VAL A 137 13.825 23.029 2.069 1.00 17.63 N +ATOM 25 CA VAL A 137 14.254 22.198 3.189 1.00 17.41 C +ATOM 26 C VAL A 137 15.038 23.101 4.130 1.00 17.93 C +ATOM 27 O VAL A 137 16.102 23.626 3.778 1.00 18.99 O +ATOM 28 CB VAL A 137 15.122 21.012 2.726 1.00 16.29 C +ATOM 29 CG1 VAL A 137 15.436 20.109 3.894 1.00 19.64 C +ATOM 30 CG2 VAL A 137 14.426 20.255 1.624 1.00 16.92 C +ATOM 31 N TYR A 138 14.533 23.274 5.342 1.00 17.31 N +ATOM 32 CA TYR A 138 15.244 24.068 6.332 1.00 16.09 C +ATOM 33 C TYR A 138 16.123 23.154 7.176 1.00 18.62 C +ATOM 34 O TYR A 138 15.783 21.981 7.455 1.00 19.15 O +ATOM 35 CB TYR A 138 14.293 24.865 7.214 1.00 15.43 C +ATOM 36 CG TYR A 138 13.118 24.079 7.747 1.00 14.47 C +ATOM 37 CD1 TYR A 138 13.256 23.191 8.825 1.00 16.74 C +ATOM 38 CD2 TYR A 138 11.843 24.228 7.179 1.00 13.94 C +ATOM 39 CE1 TYR A 138 12.154 22.458 9.288 1.00 15.00 C +ATOM 40 CE2 TYR A 138 10.756 23.522 7.647 1.00 10.86 C +ATOM 41 CZ TYR A 138 10.902 22.652 8.702 1.00 13.30 C +ATOM 42 OH TYR A 138 9.805 21.966 9.179 1.00 14.50 O +ATOM 43 N SER A 139 17.279 23.681 7.568 1.00 20.21 N +ATOM 44 CA SER A 139 18.123 23.011 8.559 1.00 21.06 C +ATOM 45 C SER A 139 17.580 23.176 9.964 1.00 21.51 C +ATOM 46 O SER A 139 16.739 24.026 10.226 1.00 19.99 O +ATOM 47 CB SER A 139 19.547 23.549 8.488 1.00 21.18 C +ATOM 48 OG SER A 139 19.627 24.883 8.920 1.00 21.89 O +ATOM 49 N GLU A 140 18.090 22.363 10.895 1.00 22.80 N +ATOM 50 CA GLU A 140 17.661 22.476 12.280 1.00 22.89 C +ATOM 51 C GLU A 140 18.011 23.863 12.823 1.00 23.02 C +ATOM 52 O GLU A 140 17.221 24.483 13.551 1.00 22.29 O +ATOM 53 CB GLU A 140 18.261 21.355 13.162 1.00 23.99 C +ATOM 54 N GLN A 141 19.204 24.352 12.481 1.00 23.33 N +ATOM 55 CA GLN A 141 19.644 25.661 12.918 1.00 24.03 C +ATOM 56 C GLN A 141 18.774 26.752 12.322 1.00 21.36 C +ATOM 57 O GLN A 141 18.431 27.709 12.996 1.00 22.00 O +ATOM 58 CB GLN A 141 21.093 25.914 12.532 1.00 24.73 C +ATOM 59 CG GLN A 141 21.580 27.277 12.965 1.00 30.32 C +ATOM 60 CD GLN A 141 23.062 27.464 12.721 1.00 36.80 C +ATOM 61 OE1 GLN A 141 23.722 26.593 12.158 1.00 44.37 O +ATOM 62 NE2 GLN A 141 23.588 28.607 13.129 1.00 40.49 N +ATOM 63 N GLU A 142 18.422 26.606 11.045 1.00 20.18 N +ATOM 64 CA GLU A 142 17.525 27.560 10.423 1.00 18.39 C +ATOM 65 C GLU A 142 16.175 27.639 11.147 1.00 17.37 C +ATOM 66 O GLU A 142 15.665 28.727 11.394 1.00 16.17 O +ATOM 67 CB GLU A 142 17.309 27.247 8.935 1.00 18.19 C +ATOM 68 CG GLU A 142 18.366 27.830 8.042 1.00 17.69 C +ATOM 69 CD GLU A 142 18.259 27.389 6.604 1.00 20.68 C +ATOM 70 OE1 GLU A 142 17.742 26.273 6.340 1.00 20.55 O +ATOM 71 OE2 GLU A 142 18.671 28.176 5.717 1.00 17.91 O +ATOM 72 N TYR A 143 15.580 26.491 11.445 1.00 17.77 N +ATOM 73 CA TYR A 143 14.367 26.484 12.215 1.00 17.03 C +ATOM 74 C TYR A 143 14.521 27.231 13.568 1.00 17.46 C +ATOM 75 O TYR A 143 13.693 28.051 13.950 1.00 17.18 O +ATOM 76 CB TYR A 143 13.848 25.061 12.446 1.00 17.00 C +ATOM 77 CG TYR A 143 12.417 25.083 12.908 1.00 16.40 C +ATOM 78 CD1 TYR A 143 11.349 24.937 11.992 1.00 18.90 C +ATOM 79 CD2 TYR A 143 12.099 25.295 14.229 1.00 16.33 C +ATOM 80 CE1 TYR A 143 10.041 24.980 12.401 1.00 17.29 C +ATOM 81 CE2 TYR A 143 10.783 25.336 14.665 1.00 16.10 C +ATOM 82 CZ TYR A 143 9.740 25.219 13.733 1.00 15.92 C +ATOM 83 OH TYR A 143 8.432 25.296 14.151 1.00 14.12 O +ATOM 84 N GLN A 144 15.592 26.920 14.295 1.00 19.51 N +ATOM 85 CA GLN A 144 15.772 27.448 15.648 1.00 20.10 C +ATOM 86 C GLN A 144 15.916 28.968 15.629 1.00 20.90 C +ATOM 87 O GLN A 144 15.263 29.697 16.381 1.00 22.84 O +ATOM 88 CB GLN A 144 17.007 26.787 16.284 1.00 20.75 C +ATOM 89 N LEU A 145 16.719 29.457 14.711 1.00 21.75 N +ATOM 90 CA LEU A 145 16.960 30.904 14.601 1.00 21.95 C +ATOM 91 C LEU A 145 15.794 31.736 14.048 1.00 21.71 C +ATOM 92 O LEU A 145 15.553 32.873 14.475 1.00 21.41 O +ATOM 93 CB LEU A 145 18.243 31.150 13.801 1.00 22.80 C +ATOM 94 CG LEU A 145 19.597 30.698 14.390 1.00 24.80 C +ATOM 95 CD1 LEU A 145 20.720 30.765 13.337 1.00 28.52 C +ATOM 96 CD2 LEU A 145 19.992 31.567 15.598 1.00 27.55 C +ATOM 97 N TYR A 146 15.046 31.178 13.101 1.00 20.36 N +ATOM 98 CA TYR A 146 14.230 31.996 12.222 1.00 19.83 C +ATOM 99 C TYR A 146 12.784 31.582 12.098 1.00 18.73 C +ATOM 100 O TYR A 146 11.949 32.413 11.720 1.00 17.84 O +ATOM 101 CB TYR A 146 14.810 31.994 10.799 1.00 20.08 C +ATOM 102 CG TYR A 146 16.277 32.390 10.722 1.00 21.45 C +ATOM 103 CD1 TYR A 146 16.698 33.635 11.167 1.00 26.29 C +ATOM 104 CD2 TYR A 146 17.231 31.525 10.173 1.00 24.29 C +ATOM 105 CE1 TYR A 146 18.053 34.007 11.096 1.00 27.54 C +ATOM 106 CE2 TYR A 146 18.570 31.890 10.104 1.00 27.32 C +ATOM 107 CZ TYR A 146 18.960 33.130 10.579 1.00 27.09 C +ATOM 108 OH TYR A 146 20.266 33.506 10.511 1.00 32.89 O +ATOM 109 N LEU A 147 12.479 30.316 12.380 1.00 17.10 N +ATOM 110 CA LEU A 147 11.160 29.753 11.940 1.00 16.24 C +ATOM 111 C LEU A 147 10.186 29.439 13.075 1.00 16.82 C +ATOM 112 O LEU A 147 9.117 28.885 12.864 1.00 16.04 O +ATOM 113 CB LEU A 147 11.344 28.518 11.059 1.00 16.03 C +ATOM 114 CG LEU A 147 12.307 28.630 9.854 1.00 13.69 C +ATOM 115 CD1 LEU A 147 12.275 27.366 9.033 1.00 14.75 C +ATOM 116 CD2 LEU A 147 11.981 29.816 8.889 1.00 13.20 C +ATOM 117 N HIS A 148 10.569 29.776 14.302 1.00 18.49 N +ATOM 118 CA HIS A 148 9.682 29.552 15.422 1.00 19.35 C +ATOM 119 C HIS A 148 8.410 30.332 15.323 1.00 18.75 C +ATOM 120 O HIS A 148 8.388 31.442 14.807 1.00 18.43 O +ATOM 121 CB HIS A 148 10.427 29.872 16.725 1.00 21.07 C +ATOM 122 CG HIS A 148 11.261 28.720 17.171 1.00 27.33 C +ATOM 123 ND1 HIS A 148 10.726 27.481 17.441 1.00 34.26 N +ATOM 124 CD2 HIS A 148 12.595 28.597 17.344 1.00 34.86 C +ATOM 125 CE1 HIS A 148 11.692 26.645 17.778 1.00 35.35 C +ATOM 126 NE2 HIS A 148 12.838 27.299 17.723 1.00 33.18 N +ATOM 127 N ASP A 149 7.321 29.737 15.781 1.00 17.70 N +ATOM 128 CA ASP A 149 6.071 30.430 15.877 1.00 17.79 C +ATOM 129 C ASP A 149 5.461 29.947 17.185 1.00 17.88 C +ATOM 130 O ASP A 149 5.472 28.774 17.451 1.00 17.34 O +ATOM 131 CB ASP A 149 5.184 30.085 14.706 1.00 17.43 C +ATOM 132 CG ASP A 149 3.888 30.812 14.723 1.00 22.12 C +ATOM 133 OD1 ASP A 149 3.706 31.675 13.832 1.00 27.27 O +ATOM 134 OD2 ASP A 149 3.008 30.530 15.558 1.00 19.39 O +ATOM 135 N ASP A 150 4.925 30.866 17.987 1.00 18.97 N +ATOM 136 CA ASP A 150 4.329 30.485 19.290 1.00 18.92 C +ATOM 137 C ASP A 150 3.216 29.452 19.192 1.00 18.49 C +ATOM 138 O ASP A 150 2.929 28.767 20.187 1.00 18.78 O +ATOM 139 CB ASP A 150 3.767 31.701 20.038 1.00 20.56 C +ATOM 140 CG ASP A 150 4.831 32.681 20.476 1.00 24.29 C +ATOM 141 OD1 ASP A 150 6.046 32.390 20.411 1.00 23.43 O +ATOM 142 OD2 ASP A 150 4.429 33.799 20.870 1.00 30.27 O +ATOM 143 N ALA A 151 2.575 29.308 18.020 1.00 17.55 N +ATOM 144 CA ALA A 151 1.449 28.385 17.854 1.00 16.65 C +ATOM 145 C ALA A 151 1.737 27.086 17.066 1.00 16.54 C +ATOM 146 O ALA A 151 0.807 26.303 16.827 1.00 17.80 O +ATOM 147 CB ALA A 151 0.237 29.149 17.199 1.00 18.94 C +ATOM 148 N TRP A 152 3.007 26.847 16.711 1.00 15.78 N +ATOM 149 CA TRP A 152 3.442 25.713 15.922 1.00 15.72 C +ATOM 150 C TRP A 152 4.630 25.057 16.567 1.00 15.34 C +ATOM 151 O TRP A 152 5.553 25.753 16.979 1.00 16.52 O +ATOM 152 CB TRP A 152 3.889 26.171 14.517 1.00 16.73 C +ATOM 153 CG TRP A 152 2.759 26.497 13.599 1.00 16.18 C +ATOM 154 CD1 TRP A 152 2.010 27.641 13.578 1.00 15.70 C +ATOM 155 CD2 TRP A 152 2.290 25.675 12.531 1.00 16.15 C +ATOM 156 NE1 TRP A 152 1.037 27.538 12.594 1.00 20.00 N +ATOM 157 CE2 TRP A 152 1.207 26.346 11.929 1.00 18.12 C +ATOM 158 CE3 TRP A 152 2.674 24.406 12.042 1.00 14.99 C +ATOM 159 CZ2 TRP A 152 0.479 25.788 10.843 1.00 17.22 C +ATOM 160 CZ3 TRP A 152 1.964 23.848 10.967 1.00 16.53 C +ATOM 161 CH2 TRP A 152 0.883 24.549 10.380 1.00 18.33 C +ATOM 162 N THR A 153 4.632 23.730 16.618 1.00 15.72 N +ATOM 163 CA THR A 153 5.817 22.964 17.017 1.00 14.99 C +ATOM 164 C THR A 153 6.660 22.725 15.791 1.00 16.19 C +ATOM 165 O THR A 153 6.139 22.780 14.658 1.00 16.31 O +ATOM 166 CB THR A 153 5.458 21.580 17.589 1.00 15.80 C +ATOM 167 OG1 THR A 153 4.756 20.804 16.607 1.00 15.54 O +ATOM 168 CG2 THR A 153 4.608 21.695 18.884 1.00 16.76 C +ATOM 169 N LYS A 154 7.938 22.414 15.982 1.00 15.19 N +ATOM 170 CA LYS A 154 8.763 21.954 14.891 1.00 15.43 C +ATOM 171 C LYS A 154 8.236 20.656 14.358 1.00 15.38 C +ATOM 172 O LYS A 154 8.213 20.444 13.153 1.00 13.63 O +ATOM 173 CB LYS A 154 10.224 21.800 15.277 1.00 15.82 C +ATOM 174 CG LYS A 154 11.132 21.515 14.060 1.00 18.41 C +ATOM 175 CD LYS A 154 12.576 21.327 14.433 1.00 20.82 C +ATOM 176 CE LYS A 154 13.458 21.177 13.202 1.00 18.94 C +ATOM 177 NZ LYS A 154 13.254 19.870 12.512 1.00 15.32 N +ATOM 178 N ALA A 155 7.778 19.780 15.238 1.00 14.92 N +ATOM 179 CA ALA A 155 7.198 18.545 14.780 1.00 15.75 C +ATOM 180 C ALA A 155 6.046 18.759 13.792 1.00 15.06 C +ATOM 181 O ALA A 155 6.008 18.100 12.737 1.00 14.37 O +ATOM 182 CB ALA A 155 6.718 17.696 15.999 1.00 15.20 C +ATOM 183 N GLU A 156 5.138 19.668 14.090 1.00 15.25 N +ATOM 184 CA GLU A 156 4.007 19.898 13.198 1.00 15.59 C +ATOM 185 C GLU A 156 4.479 20.531 11.896 1.00 14.81 C +ATOM 186 O GLU A 156 3.984 20.207 10.807 1.00 12.69 O +ATOM 187 CB GLU A 156 2.961 20.834 13.854 1.00 16.75 C +ATOM 188 CG GLU A 156 1.709 20.860 13.061 1.00 18.96 C +ATOM 189 CD GLU A 156 0.674 21.846 13.529 1.00 23.66 C +ATOM 190 OE1 GLU A 156 0.815 22.428 14.646 1.00 21.31 O +ATOM 191 OE2 GLU A 156 -0.267 22.047 12.731 1.00 21.76 O +ATOM 192 N THR A 157 5.407 21.495 12.008 1.00 13.29 N +ATOM 193 CA THR A 157 5.947 22.142 10.813 1.00 12.62 C +ATOM 194 C THR A 157 6.611 21.110 9.883 1.00 12.33 C +ATOM 195 O THR A 157 6.409 21.106 8.675 1.00 11.25 O +ATOM 196 CB THR A 157 6.921 23.297 11.191 1.00 12.86 C +ATOM 197 OG1 THR A 157 6.272 24.211 12.084 1.00 13.46 O +ATOM 198 CG2 THR A 157 7.346 24.045 9.956 1.00 10.33 C +ATOM 199 N ASP A 158 7.429 20.234 10.462 1.00 11.91 N +ATOM 200 CA ASP A 158 8.070 19.146 9.729 1.00 12.70 C +ATOM 201 C ASP A 158 7.026 18.265 9.009 1.00 12.92 C +ATOM 202 O ASP A 158 7.216 17.910 7.843 1.00 11.57 O +ATOM 203 CB ASP A 158 8.871 18.241 10.695 1.00 13.37 C +ATOM 204 CG ASP A 158 10.172 18.878 11.176 1.00 16.54 C +ATOM 205 OD1 ASP A 158 10.547 19.979 10.733 1.00 17.38 O +ATOM 206 OD2 ASP A 158 10.763 18.279 12.081 1.00 15.88 O +ATOM 207 N HIS A 159 5.940 17.963 9.716 1.00 12.34 N +ATOM 208 CA HIS A 159 4.789 17.201 9.168 1.00 13.59 C +ATOM 209 C HIS A 159 4.177 17.935 7.974 1.00 12.42 C +ATOM 210 O HIS A 159 3.961 17.323 6.910 1.00 13.36 O +ATOM 211 CB HIS A 159 3.749 17.020 10.263 1.00 13.39 C +ATOM 212 CG HIS A 159 2.516 16.277 9.855 1.00 14.79 C +ATOM 213 ND1 HIS A 159 2.547 15.045 9.239 1.00 15.66 N +ATOM 214 CD2 HIS A 159 1.210 16.597 10.006 1.00 15.05 C +ATOM 215 CE1 HIS A 159 1.300 14.634 9.043 1.00 17.36 C +ATOM 216 NE2 HIS A 159 0.475 15.557 9.503 1.00 16.45 N +ATOM 217 N LEU A 160 3.882 19.225 8.125 1.00 12.07 N +ATOM 218 CA LEU A 160 3.381 20.020 7.007 1.00 11.35 C +ATOM 219 C LEU A 160 4.301 19.949 5.762 1.00 11.19 C +ATOM 220 O LEU A 160 3.835 19.767 4.648 1.00 11.50 O +ATOM 221 CB LEU A 160 3.228 21.471 7.469 1.00 11.42 C +ATOM 222 CG LEU A 160 2.991 22.540 6.422 1.00 11.35 C +ATOM 223 CD1 LEU A 160 1.641 22.210 5.698 1.00 10.16 C +ATOM 224 CD2 LEU A 160 3.034 23.929 7.042 1.00 10.20 C +ATOM 225 N PHE A 161 5.601 20.109 5.985 1.00 11.22 N +ATOM 226 CA PHE A 161 6.574 20.119 4.900 1.00 12.10 C +ATOM 227 C PHE A 161 6.710 18.724 4.259 1.00 12.19 C +ATOM 228 O PHE A 161 6.810 18.597 3.028 1.00 12.02 O +ATOM 229 CB PHE A 161 7.895 20.699 5.378 1.00 11.77 C +ATOM 230 CG PHE A 161 7.959 22.184 5.234 1.00 11.31 C +ATOM 231 CD1 PHE A 161 7.100 22.987 5.946 1.00 13.15 C +ATOM 232 CD2 PHE A 161 8.780 22.763 4.255 1.00 12.98 C +ATOM 233 CE1 PHE A 161 7.109 24.352 5.755 1.00 14.17 C +ATOM 234 CE2 PHE A 161 8.813 24.135 4.069 1.00 13.32 C +ATOM 235 CZ PHE A 161 7.947 24.921 4.808 1.00 13.97 C +ATOM 236 N ASP A 162 6.624 17.689 5.078 1.00 11.87 N +ATOM 237 CA ASP A 162 6.586 16.317 4.563 1.00 13.27 C +ATOM 238 C ASP A 162 5.370 16.074 3.663 1.00 13.27 C +ATOM 239 O ASP A 162 5.490 15.565 2.535 1.00 12.84 O +ATOM 240 CB ASP A 162 6.592 15.350 5.739 1.00 13.41 C +ATOM 241 CG ASP A 162 6.615 13.873 5.310 1.00 19.68 C +ATOM 242 OD1 ASP A 162 7.517 13.497 4.508 1.00 22.20 O +ATOM 243 OD2 ASP A 162 5.762 13.111 5.821 1.00 23.35 O +ATOM 244 N LEU A 163 4.198 16.471 4.121 1.00 12.52 N +ATOM 245 CA LEU A 163 3.029 16.300 3.316 1.00 14.31 C +ATOM 246 C LEU A 163 3.091 17.116 2.040 1.00 14.26 C +ATOM 247 O LEU A 163 2.622 16.666 0.965 1.00 14.98 O +ATOM 248 CB LEU A 163 1.800 16.650 4.121 1.00 13.30 C +ATOM 249 CG LEU A 163 1.415 15.778 5.312 1.00 15.89 C +ATOM 250 CD1 LEU A 163 0.283 16.478 6.052 1.00 19.43 C +ATOM 251 CD2 LEU A 163 1.025 14.406 4.924 1.00 21.22 C +ATOM 252 N SER A 164 3.623 18.337 2.149 1.00 14.84 N +ATOM 253 CA SER A 164 3.869 19.202 1.003 1.00 15.79 C +ATOM 254 C SER A 164 4.736 18.546 -0.087 1.00 15.89 C +ATOM 255 O SER A 164 4.446 18.725 -1.296 1.00 15.56 O +ATOM 256 CB SER A 164 4.465 20.545 1.462 1.00 15.21 C +ATOM 257 OG SER A 164 3.529 21.228 2.254 1.00 15.20 O +ATOM 258 N ARG A 165 5.775 17.821 0.320 1.00 16.68 N +ATOM 259 CA ARG A 165 6.589 17.029 -0.601 1.00 17.35 C +ATOM 260 C ARG A 165 5.796 15.883 -1.210 1.00 18.14 C +ATOM 261 O ARG A 165 5.735 15.754 -2.436 1.00 18.47 O +ATOM 262 CB ARG A 165 7.824 16.461 0.081 1.00 17.62 C +ATOM 263 CG ARG A 165 8.803 17.553 0.462 1.00 17.21 C +ATOM 264 CD ARG A 165 10.011 17.082 1.219 1.00 16.41 C +ATOM 265 NE ARG A 165 10.635 18.282 1.802 1.00 15.54 N +ATOM 266 CZ ARG A 165 10.732 18.563 3.098 1.00 14.06 C +ATOM 267 NH1 ARG A 165 10.341 17.702 4.049 1.00 14.29 N +ATOM 268 NH2 ARG A 165 11.234 19.740 3.452 1.00 15.41 N +ATOM 269 N ARG A 166 5.213 15.056 -0.366 1.00 18.80 N +ATOM 270 CA ARG A 166 4.554 13.824 -0.805 1.00 20.49 C +ATOM 271 C ARG A 166 3.320 14.038 -1.704 1.00 20.59 C +ATOM 272 O ARG A 166 3.020 13.206 -2.603 1.00 18.57 O +ATOM 273 CB ARG A 166 4.204 13.006 0.400 1.00 21.96 C +ATOM 274 CG ARG A 166 5.462 12.471 1.102 1.00 25.58 C +ATOM 275 CD ARG A 166 5.130 11.993 2.519 1.00 29.95 C +ATOM 276 NE ARG A 166 3.968 11.106 2.531 1.00 37.66 N +ATOM 277 CZ ARG A 166 3.177 10.914 3.584 1.00 39.66 C +ATOM 278 NH1 ARG A 166 3.422 11.534 4.738 1.00 40.40 N +ATOM 279 NH2 ARG A 166 2.152 10.069 3.492 1.00 41.26 N +ATOM 280 N PHE A 167 2.620 15.146 -1.462 1.00 18.45 N +ATOM 281 CA PHE A 167 1.385 15.451 -2.177 1.00 18.50 C +ATOM 282 C PHE A 167 1.431 16.673 -3.073 1.00 17.52 C +ATOM 283 O PHE A 167 0.392 17.279 -3.397 1.00 16.81 O +ATOM 284 CB PHE A 167 0.219 15.479 -1.179 1.00 18.06 C +ATOM 285 CG PHE A 167 0.079 14.195 -0.401 1.00 19.30 C +ATOM 286 CD1 PHE A 167 -0.199 13.006 -1.054 1.00 20.97 C +ATOM 287 CD2 PHE A 167 0.237 14.169 0.959 1.00 20.37 C +ATOM 288 CE1 PHE A 167 -0.309 11.824 -0.341 1.00 23.96 C +ATOM 289 CE2 PHE A 167 0.111 13.006 1.670 1.00 22.92 C +ATOM 290 CZ PHE A 167 -0.175 11.823 1.002 1.00 23.77 C +ATOM 291 N ASP A 168 2.649 17.027 -3.479 1.00 18.93 N +ATOM 292 CA ASP A 168 2.907 17.941 -4.581 1.00 21.31 C +ATOM 293 C ASP A 168 2.243 19.283 -4.384 1.00 19.46 C +ATOM 294 O ASP A 168 1.745 19.923 -5.306 1.00 19.97 O +ATOM 295 CB ASP A 168 2.534 17.242 -5.898 1.00 22.83 C +ATOM 296 CG ASP A 168 3.232 15.865 -6.055 1.00 29.34 C +ATOM 297 OD1 ASP A 168 4.439 15.694 -5.660 1.00 33.19 O +ATOM 298 OD2 ASP A 168 2.549 14.918 -6.536 1.00 35.87 O +ATOM 299 N LEU A 169 2.251 19.735 -3.135 1.00 19.37 N +ATOM 300 CA LEU A 169 1.679 21.022 -2.753 1.00 19.02 C +ATOM 301 C LEU A 169 0.204 21.190 -3.078 1.00 18.82 C +ATOM 302 O LEU A 169 -0.261 22.292 -3.331 1.00 18.47 O +ATOM 303 CB LEU A 169 2.512 22.201 -3.328 1.00 20.13 C +ATOM 304 CG LEU A 169 3.770 22.585 -2.568 1.00 22.17 C +ATOM 305 CD1 LEU A 169 4.419 23.755 -3.303 1.00 26.32 C +ATOM 306 CD2 LEU A 169 3.423 22.979 -1.145 1.00 20.36 C +ATOM 307 N ARG A 170 -0.538 20.084 -3.025 1.00 16.92 N +ATOM 308 CA ARG A 170 -1.981 20.129 -3.178 1.00 17.21 C +ATOM 309 C ARG A 170 -2.585 20.310 -1.804 1.00 16.62 C +ATOM 310 O ARG A 170 -2.717 19.366 -1.033 1.00 15.18 O +ATOM 311 CB ARG A 170 -2.437 18.839 -3.845 1.00 16.38 C +ATOM 312 CG ARG A 170 -1.892 18.691 -5.256 1.00 20.07 C +ATOM 313 CD ARG A 170 -1.984 17.218 -5.696 1.00 21.32 C +ATOM 314 NE ARG A 170 -3.375 16.793 -5.854 1.00 22.90 N +ATOM 315 CZ ARG A 170 -3.754 15.529 -6.108 1.00 24.16 C +ATOM 316 NH1 ARG A 170 -2.876 14.571 -6.200 1.00 24.30 N +ATOM 317 NH2 ARG A 170 -5.036 15.228 -6.278 1.00 28.13 N +ATOM 318 N PHE A 171 -2.907 21.557 -1.465 1.00 17.34 N +ATOM 319 CA PHE A 171 -3.293 21.841 -0.102 1.00 18.11 C +ATOM 320 C PHE A 171 -4.595 21.253 0.339 1.00 18.16 C +ATOM 321 O PHE A 171 -4.743 20.987 1.506 1.00 18.92 O +ATOM 322 CB PHE A 171 -3.252 23.342 0.207 1.00 18.73 C +ATOM 323 CG PHE A 171 -1.895 23.810 0.468 1.00 19.70 C +ATOM 324 CD1 PHE A 171 -1.320 23.629 1.708 1.00 21.59 C +ATOM 325 CD2 PHE A 171 -1.140 24.348 -0.555 1.00 21.86 C +ATOM 326 CE1 PHE A 171 -0.002 24.048 1.919 1.00 21.39 C +ATOM 327 CE2 PHE A 171 0.165 24.750 -0.349 1.00 23.44 C +ATOM 328 CZ PHE A 171 0.723 24.602 0.899 1.00 21.66 C +ATOM 329 N VAL A 172 -5.499 20.945 -0.596 1.00 18.92 N +ATOM 330 CA VAL A 172 -6.685 20.154 -0.240 1.00 18.92 C +ATOM 331 C VAL A 172 -6.339 18.729 0.229 1.00 18.29 C +ATOM 332 O VAL A 172 -6.959 18.207 1.171 1.00 17.48 O +ATOM 333 CB VAL A 172 -7.696 20.057 -1.437 1.00 19.29 C +ATOM 334 CG1 VAL A 172 -8.814 19.117 -1.094 1.00 17.69 C +ATOM 335 CG2 VAL A 172 -8.200 21.425 -1.798 1.00 20.61 C +ATOM 336 N VAL A 173 -5.341 18.106 -0.422 1.00 15.81 N +ATOM 337 CA VAL A 173 -4.892 16.813 -0.035 1.00 15.48 C +ATOM 338 C VAL A 173 -4.076 16.905 1.269 1.00 14.78 C +ATOM 339 O VAL A 173 -4.249 16.098 2.165 1.00 17.72 O +ATOM 340 CB VAL A 173 -4.041 16.160 -1.156 1.00 14.28 C +ATOM 341 CG1 VAL A 173 -3.505 14.801 -0.689 1.00 14.54 C +ATOM 342 CG2 VAL A 173 -4.831 16.019 -2.411 1.00 14.96 C +ATOM 343 N ILE A 174 -3.159 17.856 1.344 1.00 15.40 N +ATOM 344 CA ILE A 174 -2.372 18.071 2.554 1.00 14.51 C +ATOM 345 C ILE A 174 -3.319 18.228 3.755 1.00 16.54 C +ATOM 346 O ILE A 174 -3.146 17.589 4.787 1.00 17.47 O +ATOM 347 CB ILE A 174 -1.440 19.305 2.411 1.00 14.86 C +ATOM 348 CG1 ILE A 174 -0.398 19.048 1.316 1.00 14.63 C +ATOM 349 CG2 ILE A 174 -0.785 19.644 3.773 1.00 12.11 C +ATOM 350 CD1 ILE A 174 0.345 20.303 0.804 1.00 15.53 C +ATOM 351 N HIS A 175 -4.327 19.067 3.593 1.00 18.15 N +ATOM 352 CA HIS A 175 -5.333 19.254 4.637 1.00 20.40 C +ATOM 353 C HIS A 175 -6.070 17.966 5.010 1.00 20.04 C +ATOM 354 O HIS A 175 -6.257 17.682 6.167 1.00 19.92 O +ATOM 355 CB HIS A 175 -6.329 20.330 4.240 1.00 21.78 C +ATOM 356 CG HIS A 175 -7.270 20.704 5.351 1.00 26.40 C +ATOM 357 ND1 HIS A 175 -8.532 20.162 5.465 1.00 31.28 N +ATOM 358 CD2 HIS A 175 -7.105 21.512 6.433 1.00 30.90 C +ATOM 359 CE1 HIS A 175 -9.115 20.630 6.562 1.00 34.34 C +ATOM 360 NE2 HIS A 175 -8.275 21.461 7.161 1.00 33.71 N +ATOM 361 N ASP A 176 -6.480 17.187 4.018 1.00 20.61 N +ATOM 362 CA ASP A 176 -7.153 15.906 4.241 1.00 20.04 C +ATOM 363 C ASP A 176 -6.292 14.905 5.002 1.00 21.32 C +ATOM 364 O ASP A 176 -6.819 14.095 5.822 1.00 21.74 O +ATOM 365 CB ASP A 176 -7.571 15.304 2.878 1.00 21.03 C +ATOM 366 CG ASP A 176 -8.337 13.991 3.017 1.00 21.24 C +ATOM 367 OD1 ASP A 176 -9.446 14.047 3.559 1.00 22.66 O +ATOM 368 OD2 ASP A 176 -7.855 12.940 2.603 1.00 22.20 O +ATOM 369 N ARG A 177 -4.983 14.901 4.714 1.00 19.30 N +ATOM 370 CA ARG A 177 -4.115 13.858 5.214 1.00 20.48 C +ATOM 371 C ARG A 177 -3.422 14.298 6.512 1.00 21.49 C +ATOM 372 O ARG A 177 -2.654 13.546 7.089 1.00 21.63 O +ATOM 373 CB ARG A 177 -3.120 13.416 4.137 1.00 19.79 C +ATOM 374 CG ARG A 177 -3.775 12.691 2.922 1.00 22.42 C +ATOM 375 CD ARG A 177 -4.514 11.395 3.371 1.00 26.50 C +ATOM 376 NE ARG A 177 -3.493 10.403 3.669 1.00 29.76 N +ATOM 377 CZ ARG A 177 -3.011 9.541 2.794 1.00 29.76 C +ATOM 378 NH1 ARG A 177 -3.555 9.443 1.590 1.00 28.78 N +ATOM 379 NH2 ARG A 177 -2.028 8.728 3.152 1.00 30.37 N +ATOM 380 N TYR A 178 -3.763 15.485 6.984 1.00 23.91 N +ATOM 381 CA TYR A 178 -3.064 16.099 8.120 1.00 25.98 C +ATOM 382 C TYR A 178 -3.314 15.287 9.380 1.00 28.65 C +ATOM 383 O TYR A 178 -4.429 14.816 9.592 1.00 29.08 O +ATOM 384 CB TYR A 178 -3.563 17.517 8.329 1.00 26.16 C +ATOM 385 CG TYR A 178 -2.540 18.481 8.893 1.00 24.74 C +ATOM 386 CD1 TYR A 178 -1.507 18.943 8.096 1.00 22.97 C +ATOM 387 CD2 TYR A 178 -2.629 18.951 10.212 1.00 23.24 C +ATOM 388 CE1 TYR A 178 -0.587 19.840 8.576 1.00 21.17 C +ATOM 389 CE2 TYR A 178 -1.714 19.873 10.708 1.00 22.60 C +ATOM 390 CZ TYR A 178 -0.681 20.287 9.896 1.00 22.30 C +ATOM 391 OH TYR A 178 0.219 21.206 10.338 1.00 21.36 O +ATOM 392 N ASP A 179 -2.296 15.123 10.221 1.00 30.95 N +ATOM 393 CA ASP A 179 -2.452 14.325 11.467 1.00 33.80 C +ATOM 394 C ASP A 179 -3.157 15.222 12.474 1.00 35.68 C +ATOM 395 O ASP A 179 -2.531 15.818 13.367 1.00 35.95 O +ATOM 396 CB ASP A 179 -1.112 13.796 11.975 1.00 33.89 C +ATOM 397 CG ASP A 179 -1.252 12.701 13.060 1.00 36.72 C +ATOM 398 OD1 ASP A 179 -2.393 12.348 13.440 1.00 39.87 O +ATOM 399 OD2 ASP A 179 -0.200 12.186 13.526 1.00 40.61 O +ATOM 400 N HIS A 180 -4.471 15.352 12.279 1.00 38.10 N +ATOM 401 CA HIS A 180 -5.284 16.222 13.107 1.00 40.46 C +ATOM 402 C HIS A 180 -5.412 15.559 14.494 1.00 41.62 C +ATOM 403 O HIS A 180 -5.863 16.214 15.434 1.00 43.31 O +ATOM 404 CB HIS A 180 -6.670 16.522 12.480 1.00 40.64 C +ATOM 405 CG HIS A 180 -6.630 17.350 11.219 1.00 42.29 C +ATOM 406 ND1 HIS A 180 -6.381 18.708 11.219 1.00 43.75 N +ATOM 407 CD2 HIS A 180 -6.847 17.012 9.919 1.00 43.36 C +ATOM 408 CE1 HIS A 180 -6.436 19.169 9.976 1.00 45.64 C +ATOM 409 NE2 HIS A 180 -6.728 18.161 9.168 1.00 45.07 N +ATOM 410 N GLN A 181 -5.004 14.288 14.636 1.00 43.11 N +ATOM 411 CA GLN A 181 -4.837 13.653 15.969 1.00 44.26 C +ATOM 412 C GLN A 181 -3.779 14.359 16.847 1.00 45.20 C +ATOM 413 O GLN A 181 -4.133 15.000 17.855 1.00 45.91 O +ATOM 414 CB GLN A 181 -4.484 12.158 15.841 1.00 44.45 C +ATOM 415 N GLN A 182 -2.496 14.241 16.475 1.00 45.34 N +ATOM 416 CA GLN A 182 -1.407 14.886 17.220 1.00 45.36 C +ATOM 417 C GLN A 182 -1.533 16.395 17.220 1.00 44.81 C +ATOM 418 O GLN A 182 -1.221 17.072 18.213 1.00 45.60 O +ATOM 419 CB GLN A 182 -0.058 14.542 16.615 1.00 45.89 C +ATOM 420 CG GLN A 182 0.283 13.073 16.616 1.00 48.32 C +ATOM 421 CD GLN A 182 1.673 12.786 16.067 1.00 51.36 C +ATOM 422 OE1 GLN A 182 2.631 13.492 16.383 1.00 53.98 O +ATOM 423 NE2 GLN A 182 1.791 11.735 15.247 1.00 53.90 N +ATOM 424 N PHE A 183 -1.980 16.942 16.100 1.00 43.75 N +ATOM 425 CA PHE A 183 -1.932 18.362 15.905 1.00 42.92 C +ATOM 426 C PHE A 183 -3.324 18.928 15.798 1.00 43.75 C +ATOM 427 O PHE A 183 -4.286 18.220 15.444 1.00 44.51 O +ATOM 428 CB PHE A 183 -1.082 18.697 14.657 1.00 41.89 C +ATOM 429 CG PHE A 183 0.249 17.975 14.623 1.00 39.06 C +ATOM 430 CD1 PHE A 183 0.537 17.045 13.622 1.00 35.01 C +ATOM 431 CD2 PHE A 183 1.204 18.201 15.619 1.00 36.01 C +ATOM 432 CE1 PHE A 183 1.744 16.374 13.591 1.00 34.72 C +ATOM 433 CE2 PHE A 183 2.423 17.505 15.609 1.00 35.59 C +ATOM 434 CZ PHE A 183 2.697 16.610 14.590 1.00 34.60 C +ATOM 435 N LYS A 184 -3.400 20.220 16.102 1.00 43.69 N +ATOM 436 CA LYS A 184 -4.616 21.013 16.042 1.00 43.48 C +ATOM 437 C LYS A 184 -5.310 20.893 14.682 1.00 43.19 C +ATOM 438 O LYS A 184 -4.682 20.554 13.662 1.00 42.96 O +ATOM 439 CB LYS A 184 -4.294 22.498 16.319 1.00 43.53 C +ATOM 440 N LYS A 185 -6.610 21.176 14.690 1.00 42.00 N +ATOM 441 CA LYS A 185 -7.352 21.360 13.464 1.00 40.88 C +ATOM 442 C LYS A 185 -6.866 22.688 12.884 1.00 39.59 C +ATOM 443 O LYS A 185 -6.925 23.755 13.525 1.00 40.39 O +ATOM 444 CB LYS A 185 -8.875 21.356 13.707 1.00 40.97 C +ATOM 445 N ARG A 186 -6.341 22.597 11.674 1.00 37.23 N +ATOM 446 CA ARG A 186 -5.828 23.738 10.963 1.00 34.82 C +ATOM 447 C ARG A 186 -6.696 23.878 9.743 1.00 33.78 C +ATOM 448 O ARG A 186 -7.060 22.868 9.127 1.00 34.16 O +ATOM 449 CB ARG A 186 -4.398 23.457 10.537 1.00 34.06 C +ATOM 450 CG ARG A 186 -3.459 23.226 11.715 1.00 31.89 C +ATOM 451 CD ARG A 186 -2.957 24.556 12.274 1.00 27.85 C +ATOM 452 NE ARG A 186 -1.844 24.324 13.190 1.00 25.53 N +ATOM 453 CZ ARG A 186 -1.368 25.237 14.030 1.00 25.39 C +ATOM 454 NH1 ARG A 186 -1.901 26.448 14.072 1.00 25.24 N +ATOM 455 NH2 ARG A 186 -0.365 24.931 14.825 1.00 23.20 N +ATOM 456 N SER A 187 -7.024 25.113 9.398 1.00 31.71 N +ATOM 457 CA SER A 187 -7.651 25.393 8.120 1.00 30.43 C +ATOM 458 C SER A 187 -6.646 25.224 6.991 1.00 29.86 C +ATOM 459 O SER A 187 -5.447 25.228 7.221 1.00 28.70 O +ATOM 460 CB SER A 187 -8.229 26.800 8.089 1.00 30.16 C +ATOM 461 OG SER A 187 -7.240 27.823 7.994 1.00 27.89 O +ATOM 462 N VAL A 188 -7.144 25.076 5.773 1.00 28.86 N +ATOM 463 CA VAL A 188 -6.276 25.057 4.601 1.00 28.24 C +ATOM 464 C VAL A 188 -5.460 26.349 4.578 1.00 28.52 C +ATOM 465 O VAL A 188 -4.258 26.367 4.252 1.00 27.41 O +ATOM 466 CB VAL A 188 -7.103 24.851 3.313 1.00 28.82 C +ATOM 467 CG1 VAL A 188 -6.277 25.100 2.061 1.00 28.21 C +ATOM 468 CG2 VAL A 188 -7.712 23.443 3.321 1.00 28.96 C +ATOM 469 N GLU A 189 -6.122 27.442 4.958 1.00 27.55 N +ATOM 470 CA GLU A 189 -5.507 28.751 4.948 1.00 27.63 C +ATOM 471 C GLU A 189 -4.383 28.845 5.995 1.00 25.06 C +ATOM 472 O GLU A 189 -3.353 29.430 5.696 1.00 25.07 O +ATOM 473 CB GLU A 189 -6.606 29.837 5.175 1.00 28.21 C +ATOM 474 CG GLU A 189 -7.551 29.995 3.989 1.00 31.68 C +ATOM 475 CD GLU A 189 -6.789 30.309 2.711 1.00 37.01 C +ATOM 476 OE1 GLU A 189 -5.947 31.262 2.739 1.00 41.64 O +ATOM 477 OE2 GLU A 189 -6.988 29.570 1.701 1.00 42.16 O +ATOM 478 N ASP A 190 -4.581 28.251 7.183 1.00 24.16 N +ATOM 479 CA ASP A 190 -3.547 28.158 8.240 1.00 23.58 C +ATOM 480 C ASP A 190 -2.294 27.440 7.711 1.00 22.14 C +ATOM 481 O ASP A 190 -1.147 27.888 7.934 1.00 19.81 O +ATOM 482 CB ASP A 190 -4.069 27.383 9.469 1.00 24.50 C +ATOM 483 CG ASP A 190 -5.179 28.131 10.230 1.00 28.14 C +ATOM 484 OD1 ASP A 190 -5.300 29.362 10.013 1.00 28.23 O +ATOM 485 OD2 ASP A 190 -5.909 27.458 11.018 1.00 29.79 O +ATOM 486 N LEU A 191 -2.533 26.363 6.969 1.00 19.43 N +ATOM 487 CA LEU A 191 -1.426 25.559 6.407 1.00 20.01 C +ATOM 488 C LEU A 191 -0.662 26.316 5.351 1.00 18.36 C +ATOM 489 O LEU A 191 0.558 26.347 5.340 1.00 16.03 O +ATOM 490 CB LEU A 191 -1.949 24.244 5.851 1.00 18.99 C +ATOM 491 CG LEU A 191 -2.731 23.361 6.815 1.00 21.41 C +ATOM 492 CD1 LEU A 191 -3.076 22.089 6.058 1.00 20.95 C +ATOM 493 CD2 LEU A 191 -2.007 23.022 8.138 1.00 21.03 C +ATOM 494 N LYS A 192 -1.376 26.986 4.450 1.00 18.32 N +ATOM 495 CA LYS A 192 -0.699 27.760 3.427 1.00 19.01 C +ATOM 496 C LYS A 192 0.079 28.931 3.994 1.00 19.13 C +ATOM 497 O LYS A 192 1.172 29.219 3.528 1.00 18.70 O +ATOM 498 CB LYS A 192 -1.690 28.302 2.405 1.00 19.96 C +ATOM 499 CG LYS A 192 -2.315 27.259 1.525 1.00 23.11 C +ATOM 500 CD LYS A 192 -2.831 27.942 0.214 1.00 25.93 C +ATOM 501 CE LYS A 192 -4.014 27.267 -0.371 1.00 30.66 C +ATOM 502 N GLU A 193 -0.475 29.618 4.993 1.00 17.94 N +ATOM 503 CA GLU A 193 0.198 30.789 5.564 1.00 18.54 C +ATOM 504 C GLU A 193 1.485 30.395 6.277 1.00 16.39 C +ATOM 505 O GLU A 193 2.481 31.077 6.160 1.00 17.34 O +ATOM 506 CB GLU A 193 -0.721 31.530 6.539 1.00 19.54 C +ATOM 507 CG GLU A 193 -1.880 32.272 5.793 1.00 27.87 C +ATOM 508 CD GLU A 193 -1.414 33.205 4.650 1.00 33.74 C +ATOM 509 OE1 GLU A 193 -0.448 33.989 4.821 1.00 41.47 O +ATOM 510 OE2 GLU A 193 -2.030 33.163 3.550 1.00 42.15 O +ATOM 511 N ARG A 194 1.460 29.261 6.946 1.00 14.84 N +ATOM 512 CA ARG A 194 2.633 28.762 7.660 1.00 14.22 C +ATOM 513 C ARG A 194 3.711 28.411 6.629 1.00 13.73 C +ATOM 514 O ARG A 194 4.846 28.830 6.754 1.00 12.83 O +ATOM 515 CB ARG A 194 2.273 27.531 8.492 1.00 14.49 C +ATOM 516 CG ARG A 194 3.448 26.933 9.260 1.00 14.85 C +ATOM 517 CD ARG A 194 4.133 27.921 10.222 1.00 15.93 C +ATOM 518 NE ARG A 194 5.136 27.245 11.044 1.00 14.46 N +ATOM 519 CZ ARG A 194 6.199 27.835 11.596 1.00 15.74 C +ATOM 520 NH1 ARG A 194 6.456 29.124 11.397 1.00 16.15 N +ATOM 521 NH2 ARG A 194 7.021 27.127 12.334 1.00 16.29 N +ATOM 522 N TYR A 195 3.339 27.663 5.601 1.00 13.41 N +ATOM 523 CA TYR A 195 4.270 27.243 4.540 1.00 13.15 C +ATOM 524 C TYR A 195 4.896 28.433 3.858 1.00 14.47 C +ATOM 525 O TYR A 195 6.107 28.496 3.764 1.00 14.07 O +ATOM 526 CB TYR A 195 3.553 26.393 3.512 1.00 14.09 C +ATOM 527 CG TYR A 195 4.480 25.840 2.426 1.00 14.36 C +ATOM 528 CD1 TYR A 195 5.155 24.649 2.651 1.00 21.81 C +ATOM 529 CD2 TYR A 195 4.644 26.464 1.208 1.00 21.48 C +ATOM 530 CE1 TYR A 195 5.981 24.109 1.708 1.00 22.52 C +ATOM 531 CE2 TYR A 195 5.538 25.924 0.234 1.00 18.22 C +ATOM 532 CZ TYR A 195 6.172 24.748 0.521 1.00 20.85 C +ATOM 533 OH TYR A 195 7.009 24.094 -0.372 1.00 22.92 O +ATOM 534 N ATYR A 196 4.123 29.404 3.422 0.50 15.25 N +ATOM 535 N BTYR A 196 3.998 29.334 3.415 0.50 15.35 N +ATOM 536 CA ATYR A 196 4.750 30.465 2.669 0.50 16.29 C +ATOM 537 CA BTYR A 196 4.280 30.623 2.777 0.50 16.23 C +ATOM 538 C ATYR A 196 5.438 31.562 3.532 0.50 15.71 C +ATOM 539 C BTYR A 196 5.325 31.461 3.533 0.50 15.85 C +ATOM 540 O ATYR A 196 6.355 32.223 3.056 0.50 15.55 O +ATOM 541 O BTYR A 196 6.331 31.883 2.985 0.50 15.39 O +ATOM 542 CB ATYR A 196 3.786 30.974 1.625 0.50 16.04 C +ATOM 543 CB BTYR A 196 3.003 31.466 2.665 0.50 16.61 C +ATOM 544 CG ATYR A 196 3.554 29.949 0.508 0.50 14.72 C +ATOM 545 CG BTYR A 196 2.001 31.060 1.585 0.50 18.12 C +ATOM 546 CD1ATYR A 196 4.576 29.601 -0.370 0.50 12.94 C +ATOM 547 CD1BTYR A 196 2.357 30.206 0.542 0.50 20.27 C +ATOM 548 CD2ATYR A 196 2.319 29.372 0.314 0.50 14.09 C +ATOM 549 CD2BTYR A 196 0.694 31.553 1.610 0.50 21.51 C +ATOM 550 CE1ATYR A 196 4.369 28.686 -1.387 0.50 14.54 C +ATOM 551 CE1BTYR A 196 1.431 29.861 -0.451 0.50 20.15 C +ATOM 552 CE2ATYR A 196 2.103 28.471 -0.714 0.50 13.10 C +ATOM 553 CE2BTYR A 196 -0.231 31.206 0.632 0.50 21.37 C +ATOM 554 CZ ATYR A 196 3.133 28.144 -1.566 0.50 11.98 C +ATOM 555 CZ BTYR A 196 0.137 30.367 -0.382 0.50 21.84 C +ATOM 556 OH ATYR A 196 2.941 27.238 -2.589 0.50 14.14 O +ATOM 557 OH BTYR A 196 -0.799 30.070 -1.344 0.50 22.08 O +ATOM 558 N HIS A 197 5.027 31.727 4.785 1.00 16.34 N +ATOM 559 CA AHIS A 197 5.839 32.497 5.766 0.50 16.13 C +ATOM 560 CA BHIS A 197 5.864 32.569 5.598 0.50 16.19 C +ATOM 561 C HIS A 197 7.242 31.950 5.818 1.00 15.88 C +ATOM 562 O HIS A 197 8.246 32.680 5.745 1.00 13.80 O +ATOM 563 CB AHIS A 197 5.255 32.423 7.193 0.50 16.96 C +ATOM 564 CB BHIS A 197 5.113 32.979 6.877 0.50 17.10 C +ATOM 565 CG AHIS A 197 6.119 33.078 8.240 0.50 19.08 C +ATOM 566 CG BHIS A 197 4.046 34.009 6.625 0.50 18.68 C +ATOM 567 ND1AHIS A 197 6.929 32.362 9.101 0.50 22.11 N +ATOM 568 ND1BHIS A 197 2.795 33.692 6.132 0.50 21.03 N +ATOM 569 CD2AHIS A 197 6.285 34.380 8.572 0.50 20.49 C +ATOM 570 CD2BHIS A 197 4.066 35.357 6.754 0.50 19.25 C +ATOM 571 CE1AHIS A 197 7.568 33.193 9.901 0.50 21.08 C +ATOM 572 CE1BHIS A 197 2.085 34.797 6.000 0.50 21.74 C +ATOM 573 NE2AHIS A 197 7.198 34.424 9.598 0.50 22.66 N +ATOM 574 NE2BHIS A 197 2.832 35.820 6.371 0.50 21.02 N +ATOM 575 N ILE A 198 7.324 30.621 5.976 1.00 14.55 N +ATOM 576 CA ILE A 198 8.656 29.960 6.024 1.00 13.20 C +ATOM 577 C ILE A 198 9.441 30.132 4.712 1.00 12.61 C +ATOM 578 O ILE A 198 10.623 30.446 4.733 1.00 12.46 O +ATOM 579 CB ILE A 198 8.509 28.487 6.420 1.00 13.09 C +ATOM 580 CG1 ILE A 198 8.094 28.393 7.896 1.00 13.64 C +ATOM 581 CG2 ILE A 198 9.762 27.639 6.046 1.00 13.65 C +ATOM 582 CD1 ILE A 198 7.622 26.940 8.346 1.00 13.93 C +ATOM 583 N CYS A 199 8.771 29.987 3.574 1.00 13.05 N +ATOM 584 CA CYS A 199 9.419 30.181 2.278 1.00 13.96 C +ATOM 585 C CYS A 199 10.061 31.574 2.158 1.00 13.85 C +ATOM 586 O CYS A 199 11.233 31.691 1.756 1.00 15.18 O +ATOM 587 CB CYS A 199 8.395 29.943 1.167 1.00 13.81 C +ATOM 588 SG CYS A 199 8.025 28.242 0.863 1.00 13.76 S +ATOM 589 N ALA A 200 9.297 32.593 2.564 1.00 14.14 N +ATOM 590 CA ALA A 200 9.708 34.003 2.535 1.00 14.93 C +ATOM 591 C ALA A 200 10.865 34.230 3.501 1.00 14.30 C +ATOM 592 O ALA A 200 11.908 34.782 3.131 1.00 15.39 O +ATOM 593 CB ALA A 200 8.523 34.939 2.826 1.00 14.91 C +ATOM 594 N LYS A 201 10.745 33.715 4.718 1.00 15.45 N +ATOM 595 CA LYS A 201 11.835 33.838 5.692 1.00 15.05 C +ATOM 596 C LYS A 201 13.123 33.195 5.219 1.00 14.60 C +ATOM 597 O LYS A 201 14.185 33.827 5.313 1.00 14.96 O +ATOM 598 CB LYS A 201 11.418 33.268 7.046 1.00 15.53 C +ATOM 599 CG LYS A 201 12.432 33.553 8.138 1.00 16.88 C +ATOM 600 CD LYS A 201 12.598 35.064 8.335 1.00 20.28 C +ATOM 601 N LEU A 202 13.061 31.980 4.657 1.00 13.45 N +ATOM 602 CA LEU A 202 14.224 31.296 4.135 1.00 14.36 C +ATOM 603 C LEU A 202 14.857 32.053 2.955 1.00 15.14 C +ATOM 604 O LEU A 202 16.081 32.169 2.887 1.00 17.01 O +ATOM 605 CB LEU A 202 13.938 29.845 3.719 1.00 14.66 C +ATOM 606 CG LEU A 202 13.572 28.900 4.884 1.00 13.67 C +ATOM 607 CD1 LEU A 202 13.106 27.556 4.327 1.00 12.09 C +ATOM 608 CD2 LEU A 202 14.753 28.737 5.890 1.00 13.97 C +ATOM 609 N ALA A 203 14.030 32.529 2.028 1.00 15.77 N +ATOM 610 CA ALA A 203 14.524 33.354 0.920 1.00 16.89 C +ATOM 611 C ALA A 203 15.363 34.515 1.437 1.00 16.79 C +ATOM 612 O ALA A 203 16.438 34.814 0.905 1.00 17.83 O +ATOM 613 CB ALA A 203 13.361 33.861 0.064 1.00 15.09 C +ATOM 614 N ASN A 204 14.839 35.195 2.443 1.00 17.46 N +ATOM 615 CA ASN A 204 15.534 36.331 3.057 1.00 19.26 C +ATOM 616 C ASN A 204 16.852 35.972 3.757 1.00 20.19 C +ATOM 617 O ASN A 204 17.903 36.572 3.480 1.00 20.88 O +ATOM 618 CB ASN A 204 14.585 37.043 4.013 1.00 18.57 C +ATOM 619 CG ASN A 204 13.486 37.807 3.304 1.00 21.00 C +ATOM 620 OD1 ASN A 204 13.668 38.323 2.203 1.00 27.31 O +ATOM 621 ND2 ASN A 204 12.358 37.881 3.925 1.00 23.97 N +ATOM 622 N VAL A 205 16.821 34.981 4.640 1.00 21.72 N +ATOM 623 CA VAL A 205 18.016 34.665 5.403 1.00 22.32 C +ATOM 624 C VAL A 205 19.077 34.032 4.518 1.00 23.18 C +ATOM 625 O VAL A 205 20.261 34.102 4.811 1.00 23.45 O +ATOM 626 CB VAL A 205 17.697 33.795 6.647 1.00 22.60 C +ATOM 627 CG1 VAL A 205 16.602 34.476 7.488 1.00 21.91 C +ATOM 628 CG2 VAL A 205 17.372 32.391 6.263 1.00 21.02 C +ATOM 629 N ARG A 206 18.692 33.415 3.414 1.00 23.04 N +ATOM 630 CA ARG A 206 19.684 32.762 2.597 1.00 23.65 C +ATOM 631 C ARG A 206 20.304 33.722 1.581 1.00 25.25 C +ATOM 632 O ARG A 206 21.176 33.306 0.808 1.00 26.57 O +ATOM 633 CB ARG A 206 19.092 31.586 1.879 1.00 22.72 C +ATOM 634 CG ARG A 206 18.713 30.492 2.829 1.00 20.58 C +ATOM 635 CD ARG A 206 17.953 29.408 2.126 1.00 19.90 C +ATOM 636 NE ARG A 206 17.678 28.292 3.038 1.00 18.61 N +ATOM 637 CZ ARG A 206 17.026 27.190 2.712 1.00 18.73 C +ATOM 638 NH1 ARG A 206 16.519 27.009 1.482 1.00 17.13 N +ATOM 639 NH2 ARG A 206 16.874 26.240 3.624 1.00 20.85 N +ATOM 640 N ALA A 207 19.833 34.961 1.572 1.00 25.77 N +ATOM 641 CA ALA A 207 20.391 35.997 0.711 1.00 27.47 C +ATOM 642 C ALA A 207 21.708 36.469 1.305 1.00 29.25 C +ATOM 643 O ALA A 207 22.662 36.576 0.545 1.00 32.45 O +ATOM 644 CB ALA A 207 19.464 37.152 0.597 1.00 27.13 C Added: SwiftApps/modFTdock/input/3iez-1.pdb =================================================================== --- SwiftApps/modFTdock/input/3iez-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/3iez-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,781 @@ +ATOM 1 N LYS A1477 26.729 0.674 5.013 1.00 34.18 N +ATOM 2 CA LYS A1477 27.268 -0.442 5.844 1.00 34.15 C +ATOM 3 C LYS A1477 27.459 -0.009 7.296 1.00 33.74 C +ATOM 4 O LYS A1477 28.415 0.703 7.592 1.00 33.81 O +ATOM 5 CB LYS A1477 28.617 -0.923 5.291 1.00 34.17 C +ATOM 6 N PRO A1478 26.558 -0.442 8.201 1.00 32.88 N +ATOM 7 CA PRO A1478 26.787 -0.206 9.639 1.00 31.76 C +ATOM 8 C PRO A1478 28.091 -0.780 10.198 1.00 30.06 C +ATOM 9 O PRO A1478 28.530 -1.867 9.790 1.00 30.26 O +ATOM 10 CB PRO A1478 25.587 -0.885 10.316 1.00 32.18 C +ATOM 11 CG PRO A1478 24.753 -1.522 9.191 1.00 33.34 C +ATOM 12 CD PRO A1478 25.176 -0.880 7.927 1.00 33.42 C +ATOM 13 N VAL A1479 28.729 -0.039 11.101 1.00 27.34 N +ATOM 14 CA VAL A1479 29.757 -0.605 11.957 1.00 25.55 C +ATOM 15 C VAL A1479 29.043 -0.868 13.278 1.00 23.88 C +ATOM 16 O VAL A1479 28.327 -0.016 13.793 1.00 23.73 O +ATOM 17 CB VAL A1479 30.970 0.299 12.145 1.00 25.98 C +ATOM 18 CG1 VAL A1479 32.031 -0.441 12.936 1.00 28.35 C +ATOM 19 CG2 VAL A1479 31.547 0.731 10.781 1.00 26.06 C +ATOM 20 N LYS A1480 29.223 -2.073 13.801 1.00 22.56 N +ATOM 21 CA LYS A1480 28.505 -2.558 14.974 1.00 21.82 C +ATOM 22 C LYS A1480 29.447 -2.652 16.147 1.00 19.87 C +ATOM 23 O LYS A1480 30.567 -3.150 15.994 1.00 20.28 O +ATOM 24 CB LYS A1480 27.901 -3.931 14.673 1.00 23.01 C +ATOM 25 CG LYS A1480 27.119 -3.925 13.362 1.00 27.43 C +ATOM 26 CD LYS A1480 26.300 -5.181 13.122 1.00 32.21 C +ATOM 27 CE LYS A1480 25.100 -4.893 12.210 1.00 34.58 C +ATOM 28 NZ LYS A1480 25.498 -4.095 11.027 1.00 37.65 N +ATOM 29 N TYR A1481 28.990 -2.176 17.296 1.00 17.37 N +ATOM 30 CA TYR A1481 29.680 -2.359 18.583 1.00 17.24 C +ATOM 31 C TYR A1481 28.707 -2.754 19.659 1.00 17.04 C +ATOM 32 O TYR A1481 27.660 -2.166 19.780 1.00 17.97 O +ATOM 33 CB TYR A1481 30.384 -1.085 19.064 1.00 18.39 C +ATOM 34 CG TYR A1481 31.382 -0.485 18.122 1.00 18.89 C +ATOM 35 CD1 TYR A1481 32.707 -0.887 18.123 1.00 22.70 C +ATOM 36 CD2 TYR A1481 31.000 0.488 17.220 1.00 19.22 C +ATOM 37 CE1 TYR A1481 33.617 -0.295 17.238 1.00 24.75 C +ATOM 38 CE2 TYR A1481 31.896 1.061 16.346 1.00 22.61 C +ATOM 39 CZ TYR A1481 33.185 0.666 16.359 1.00 22.90 C +ATOM 40 OH TYR A1481 34.046 1.282 15.475 1.00 29.27 O +ATOM 41 N THR A1482 29.022 -3.770 20.451 1.00 16.85 N +ATOM 42 CA THR A1482 28.215 -4.060 21.600 1.00 17.73 C +ATOM 43 C THR A1482 28.466 -3.037 22.688 1.00 16.07 C +ATOM 44 O THR A1482 29.534 -2.377 22.714 1.00 16.32 O +ATOM 45 CB THR A1482 28.499 -5.454 22.189 1.00 18.12 C +ATOM 46 OG1 THR A1482 29.862 -5.496 22.654 1.00 20.34 O +ATOM 47 CG2 THR A1482 28.296 -6.549 21.150 1.00 22.33 C +ATOM 48 N ALA A1483 27.488 -2.857 23.550 1.00 16.37 N +ATOM 49 CA ALA A1483 27.665 -1.985 24.703 1.00 15.64 C +ATOM 50 C ALA A1483 28.822 -2.477 25.523 1.00 16.38 C +ATOM 51 O ALA A1483 29.605 -1.681 26.059 1.00 15.79 O +ATOM 52 CB ALA A1483 26.407 -1.836 25.550 1.00 16.42 C +ATOM 53 N ALA A1484 28.943 -3.785 25.671 1.00 16.83 N +ATOM 54 CA ALA A1484 30.060 -4.322 26.437 1.00 17.43 C +ATOM 55 C ALA A1484 31.427 -3.963 25.870 1.00 16.04 C +ATOM 56 O ALA A1484 32.320 -3.551 26.622 1.00 16.16 O +ATOM 57 CB ALA A1484 29.870 -5.877 26.554 1.00 18.67 C +ATOM 58 N LYS A1485 31.629 -4.047 24.552 1.00 16.38 N +ATOM 59 CA LYS A1485 32.882 -3.625 23.897 1.00 15.33 C +ATOM 60 C LYS A1485 33.155 -2.106 24.143 1.00 15.42 C +ATOM 61 O LYS A1485 34.259 -1.706 24.470 1.00 14.93 O +ATOM 62 CB LYS A1485 32.854 -3.941 22.393 1.00 17.28 C +ATOM 63 CG LYS A1485 34.076 -3.632 21.649 1.00 21.08 C +ATOM 64 CD LYS A1485 35.186 -4.596 22.065 1.00 28.22 C +ATOM 65 CE LYS A1485 36.441 -4.462 21.264 1.00 32.82 C +ATOM 66 NZ LYS A1485 37.468 -5.406 21.825 1.00 35.93 N +ATOM 67 N LEU A1486 32.139 -1.287 23.950 1.00 14.24 N +ATOM 68 CA LEU A1486 32.301 0.150 24.168 1.00 12.44 C +ATOM 69 C LEU A1486 32.617 0.466 25.645 1.00 12.41 C +ATOM 70 O LEU A1486 33.375 1.399 25.926 1.00 10.69 O +ATOM 71 CB LEU A1486 31.064 0.928 23.714 1.00 12.74 C +ATOM 72 CG LEU A1486 30.745 0.875 22.232 1.00 12.84 C +ATOM 73 CD1 LEU A1486 29.590 1.809 21.944 1.00 15.83 C +ATOM 74 CD2 LEU A1486 31.912 1.232 21.389 1.00 12.74 C +ATOM 75 N HIS A1487 32.045 -0.301 26.570 1.00 11.67 N +ATOM 76 CA HIS A1487 32.302 -0.150 28.026 1.00 11.88 C +ATOM 77 C HIS A1487 33.754 -0.533 28.312 1.00 12.06 C +ATOM 78 O HIS A1487 34.494 0.226 28.954 1.00 12.58 O +ATOM 79 CB HIS A1487 31.347 -1.108 28.762 1.00 13.79 C +ATOM 80 CG HIS A1487 31.133 -0.814 30.215 1.00 12.41 C +ATOM 81 ND1 HIS A1487 30.838 -1.818 31.128 1.00 15.68 N +ATOM 82 CD2 HIS A1487 31.125 0.345 30.922 1.00 13.66 C +ATOM 83 CE1 HIS A1487 30.621 -1.276 32.310 1.00 15.66 C +ATOM 84 NE2 HIS A1487 30.799 0.030 32.223 1.00 17.18 N +ATOM 85 N GLU A1488 34.189 -1.669 27.785 1.00 13.41 N +ATOM 86 CA GLU A1488 35.573 -2.090 27.936 1.00 13.48 C +ATOM 87 C GLU A1488 36.532 -1.014 27.440 1.00 12.91 C +ATOM 88 O GLU A1488 37.557 -0.715 28.078 1.00 13.59 O +ATOM 89 CB GLU A1488 35.795 -3.394 27.181 1.00 15.08 C +ATOM 90 CG GLU A1488 35.142 -4.570 27.834 1.00 16.88 C +ATOM 91 CD GLU A1488 34.835 -5.746 26.894 1.00 23.37 C +ATOM 92 OE1 GLU A1488 35.396 -5.815 25.784 1.00 24.62 O +ATOM 93 OE2 GLU A1488 33.992 -6.564 27.307 1.00 25.28 O +ATOM 94 N LYS A1489 36.257 -0.468 26.261 1.00 12.44 N +ATOM 95 CA LYS A1489 37.113 0.537 25.614 1.00 13.50 C +ATOM 96 C LYS A1489 37.132 1.910 26.309 1.00 11.87 C +ATOM 97 O LYS A1489 37.989 2.739 26.030 1.00 14.48 O +ATOM 98 CB LYS A1489 36.626 0.792 24.180 1.00 15.85 C +ATOM 99 CG LYS A1489 36.848 -0.331 23.237 1.00 21.54 C +ATOM 100 CD LYS A1489 36.209 0.004 21.886 1.00 27.83 C +ATOM 101 CE LYS A1489 36.932 1.158 21.210 1.00 31.64 C +ATOM 102 N GLY A1490 36.114 2.182 27.115 1.00 11.36 N +ATOM 103 CA GLY A1490 35.972 3.479 27.785 1.00 11.08 C +ATOM 104 C GLY A1490 35.092 4.479 27.076 1.00 10.48 C +ATOM 105 O GLY A1490 34.815 5.559 27.578 1.00 10.10 O +ATOM 106 N VAL A1491 34.649 4.133 25.868 1.00 10.71 N +ATOM 107 CA VAL A1491 33.703 4.993 25.161 1.00 10.76 C +ATOM 108 C VAL A1491 32.402 5.103 25.908 1.00 11.10 C +ATOM 109 O VAL A1491 31.844 6.199 26.007 1.00 10.44 O +ATOM 110 CB VAL A1491 33.444 4.465 23.721 1.00 10.80 C +ATOM 111 CG1 VAL A1491 32.273 5.270 23.029 1.00 11.67 C +ATOM 112 CG2 VAL A1491 34.760 4.531 22.924 1.00 12.88 C +ATOM 113 N LEU A1492 31.915 3.994 26.445 1.00 10.79 N +ATOM 114 CA ALEU A1492 30.655 3.994 27.161 0.50 11.13 C +ATOM 115 CA BLEU A1492 30.653 3.947 27.164 0.50 11.47 C +ATOM 116 C LEU A1492 30.950 3.923 28.664 1.00 10.93 C +ATOM 117 O LEU A1492 31.758 3.067 29.129 1.00 11.70 O +ATOM 118 CB ALEU A1492 29.780 2.835 26.671 0.50 11.97 C +ATOM 119 CB BLEU A1492 29.876 2.689 26.753 0.50 12.71 C +ATOM 120 CG ALEU A1492 28.388 2.679 27.293 0.50 11.03 C +ATOM 121 CG BLEU A1492 28.606 2.416 27.568 0.50 12.95 C +ATOM 122 CD1ALEU A1492 27.448 2.060 26.306 0.50 10.50 C +ATOM 123 CD1BLEU A1492 27.560 3.360 27.069 0.50 16.23 C +ATOM 124 CD2ALEU A1492 28.440 1.825 28.551 0.50 12.69 C +ATOM 125 CD2BLEU A1492 28.128 0.962 27.502 0.50 16.68 C +ATOM 126 N LEU A1493 30.334 4.817 29.434 1.00 12.30 N +ATOM 127 CA LEU A1493 30.466 4.802 30.902 1.00 12.93 C +ATOM 128 C LEU A1493 29.395 3.936 31.552 1.00 13.61 C +ATOM 129 O LEU A1493 29.753 3.093 32.405 1.00 16.63 O +ATOM 130 CB LEU A1493 30.435 6.221 31.499 1.00 12.48 C +ATOM 131 CG LEU A1493 31.624 7.150 31.265 1.00 12.01 C +ATOM 132 CD1 LEU A1493 31.726 7.680 29.825 1.00 12.62 C +ATOM 133 CD2 LEU A1493 31.577 8.298 32.204 1.00 13.16 C +ATOM 134 N ASP A1494 28.138 4.122 31.173 1.00 12.96 N +ATOM 135 CA ASP A1494 27.043 3.432 31.842 1.00 15.40 C +ATOM 136 C ASP A1494 25.770 3.542 31.026 1.00 16.62 C +ATOM 137 O ASP A1494 25.647 4.385 30.152 1.00 15.31 O +ATOM 138 CB ASP A1494 26.823 4.028 33.229 1.00 17.75 C +ATOM 139 CG ASP A1494 26.121 3.068 34.188 1.00 22.37 C +ATOM 140 OD1 ASP A1494 25.982 1.857 33.877 1.00 23.85 O +ATOM 141 OD2 ASP A1494 25.743 3.548 35.275 1.00 29.02 O +ATOM 142 N ILE A1495 24.822 2.652 31.323 1.00 18.90 N +ATOM 143 CA ILE A1495 23.481 2.699 30.792 1.00 19.61 C +ATOM 144 C ILE A1495 22.563 2.617 32.025 1.00 22.15 C +ATOM 145 O ILE A1495 22.601 1.645 32.778 1.00 23.11 O +ATOM 146 CB ILE A1495 23.193 1.531 29.831 1.00 19.26 C +ATOM 147 CG1 ILE A1495 24.209 1.534 28.668 1.00 18.00 C +ATOM 148 CG2 ILE A1495 21.754 1.610 29.343 1.00 20.30 C +ATOM 149 CD1 ILE A1495 23.919 0.560 27.608 1.00 19.12 C +ATOM 150 N ASP A1496 21.824 3.689 32.248 1.00 25.00 N +ATOM 151 CA ASP A1496 20.950 3.818 33.420 1.00 28.13 C +ATOM 152 C ASP A1496 19.906 2.701 33.361 1.00 29.90 C +ATOM 153 O ASP A1496 19.263 2.510 32.333 1.00 30.75 O +ATOM 154 CB ASP A1496 20.198 5.141 33.378 1.00 28.22 C +ATOM 155 CG ASP A1496 21.098 6.382 33.449 1.00 30.61 C +ATOM 156 OD1 ASP A1496 22.215 6.335 34.009 1.00 33.67 O +ATOM 157 OD2 ASP A1496 20.641 7.431 32.935 1.00 34.44 O +ATOM 158 N ASP A1497 19.729 1.985 34.462 1.00 32.85 N +ATOM 159 CA ASP A1497 18.633 1.000 34.579 1.00 34.47 C +ATOM 160 C ASP A1497 18.876 -0.249 33.734 1.00 36.08 C +ATOM 161 O ASP A1497 17.932 -0.955 33.312 1.00 37.36 O +ATOM 162 CB ASP A1497 17.293 1.648 34.204 1.00 34.68 C +ATOM 163 N LEU A1498 20.152 -0.524 33.485 1.00 36.56 N +ATOM 164 CA LEU A1498 20.553 -1.739 32.836 1.00 36.73 C +ATOM 165 C LEU A1498 21.631 -2.336 33.702 1.00 36.75 C +ATOM 166 O LEU A1498 22.639 -1.694 34.001 1.00 36.75 O +ATOM 167 CB LEU A1498 21.051 -1.473 31.412 1.00 37.08 C +ATOM 168 CG LEU A1498 21.185 -2.728 30.561 1.00 37.21 C +ATOM 169 CD1 LEU A1498 19.787 -3.275 30.260 1.00 40.58 C +ATOM 170 CD2 LEU A1498 21.951 -2.478 29.265 1.00 39.38 C +ATOM 171 N GLN A1499 21.408 -3.575 34.130 1.00 36.74 N +ATOM 172 CA GLN A1499 22.388 -4.296 34.901 1.00 36.58 C +ATOM 173 C GLN A1499 23.560 -4.552 33.967 1.00 35.99 C +ATOM 174 O GLN A1499 23.366 -4.727 32.767 1.00 34.58 O +ATOM 175 CB GLN A1499 21.792 -5.602 35.438 1.00 37.41 C +ATOM 176 CG GLN A1499 20.736 -5.411 36.551 1.00 40.29 C +ATOM 177 CD GLN A1499 19.382 -4.876 36.065 1.00 44.49 C +ATOM 178 OE1 GLN A1499 19.102 -4.831 34.863 1.00 48.06 O +ATOM 179 NE2 GLN A1499 18.529 -4.474 37.014 1.00 46.60 N +ATOM 180 N THR A1500 24.779 -4.521 34.494 1.00 35.50 N +ATOM 181 CA THR A1500 25.961 -4.655 33.639 1.00 35.13 C +ATOM 182 C THR A1500 25.957 -6.029 32.963 1.00 34.63 C +ATOM 183 O THR A1500 26.569 -6.184 31.906 1.00 34.46 O +ATOM 184 CB THR A1500 27.291 -4.419 34.410 1.00 35.79 C +ATOM 185 N ASN A1501 25.244 -7.001 33.562 1.00 33.88 N +ATOM 186 CA ASN A1501 25.028 -8.332 32.958 1.00 33.00 C +ATOM 187 C ASN A1501 24.032 -8.346 31.792 1.00 31.03 C +ATOM 188 O ASN A1501 23.711 -9.407 31.274 1.00 31.84 O +ATOM 189 CB ASN A1501 24.630 -9.396 34.017 1.00 33.59 C +ATOM 190 CG ASN A1501 23.273 -9.140 34.683 1.00 34.33 C +ATOM 191 OD1 ASN A1501 22.394 -8.469 34.148 1.00 36.35 O +ATOM 192 ND2 ASN A1501 23.100 -9.717 35.869 1.00 38.62 N +ATOM 193 N GLN A1502 23.520 -7.178 31.440 1.00 28.74 N +ATOM 194 CA AGLN A1502 22.683 -7.014 30.265 0.50 27.73 C +ATOM 195 CA BGLN A1502 22.676 -7.031 30.267 0.50 27.61 C +ATOM 196 C GLN A1502 23.355 -6.187 29.182 1.00 26.65 C +ATOM 197 O GLN A1502 22.772 -5.959 28.134 1.00 25.25 O +ATOM 198 CB AGLN A1502 21.368 -6.353 30.655 0.50 27.86 C +ATOM 199 CB BGLN A1502 21.310 -6.440 30.658 0.50 27.69 C +ATOM 200 CG AGLN A1502 20.482 -7.239 31.492 0.50 28.24 C +ATOM 201 CG BGLN A1502 20.575 -7.239 31.764 0.50 27.41 C +ATOM 202 CD AGLN A1502 19.189 -6.561 31.884 0.50 29.38 C +ATOM 203 CD BGLN A1502 19.040 -7.075 31.761 0.50 27.74 C +ATOM 204 OE1AGLN A1502 19.183 -5.398 32.285 0.50 30.26 O +ATOM 205 OE1BGLN A1502 18.433 -6.776 30.730 0.50 27.26 O +ATOM 206 NE2AGLN A1502 18.084 -7.292 31.786 0.50 29.31 N +ATOM 207 NE2BGLN A1502 18.415 -7.307 32.923 0.50 26.49 N +ATOM 208 N PHE A1503 24.598 -5.727 29.407 1.00 25.26 N +ATOM 209 CA PHE A1503 25.261 -4.889 28.356 1.00 24.68 C +ATOM 210 C PHE A1503 25.513 -5.652 27.059 1.00 24.81 C +ATOM 211 O PHE A1503 25.586 -5.068 25.966 1.00 24.61 O +ATOM 212 CB PHE A1503 26.594 -4.268 28.837 1.00 23.85 C +ATOM 213 CG PHE A1503 26.437 -3.059 29.709 1.00 21.55 C +ATOM 214 CD1 PHE A1503 25.276 -2.816 30.401 1.00 21.18 C +ATOM 215 CD2 PHE A1503 27.460 -2.154 29.855 1.00 20.39 C +ATOM 216 CE1 PHE A1503 25.152 -1.728 31.232 1.00 24.06 C +ATOM 217 CE2 PHE A1503 27.319 -1.075 30.694 1.00 17.02 C +ATOM 218 CZ PHE A1503 26.227 -0.866 31.388 1.00 19.85 C +ATOM 219 N LYS A1504 25.685 -6.966 27.190 1.00 25.89 N +ATOM 220 CA LYS A1504 25.883 -7.832 26.038 1.00 26.23 C +ATOM 221 C LYS A1504 24.646 -7.822 25.116 1.00 25.43 C +ATOM 222 O LYS A1504 24.759 -8.090 23.923 1.00 27.18 O +ATOM 223 CB LYS A1504 26.203 -9.251 26.504 1.00 26.84 C +ATOM 224 CG LYS A1504 25.199 -9.898 27.427 1.00 28.99 C +ATOM 225 CD LYS A1504 25.604 -11.357 27.701 1.00 32.02 C +ATOM 226 CE LYS A1504 24.749 -12.019 28.767 1.00 32.77 C +ATOM 227 NZ LYS A1504 25.334 -13.343 29.212 1.00 34.57 N +ATOM 228 N ASN A1505 23.508 -7.463 25.678 1.00 24.39 N +ATOM 229 CA ASN A1505 22.248 -7.481 24.932 1.00 22.64 C +ATOM 230 C ASN A1505 21.961 -6.192 24.206 1.00 20.98 C +ATOM 231 O ASN A1505 20.997 -6.098 23.453 1.00 17.04 O +ATOM 232 CB ASN A1505 21.130 -7.791 25.868 1.00 23.92 C +ATOM 233 CG ASN A1505 21.329 -9.128 26.544 1.00 23.60 C +ATOM 234 OD1 ASN A1505 21.754 -10.132 25.915 1.00 28.77 O +ATOM 235 ND2 ASN A1505 21.124 -9.126 27.796 1.00 19.65 N +ATOM 236 N VAL A1506 22.834 -5.200 24.423 1.00 18.85 N +ATOM 237 CA VAL A1506 22.745 -3.906 23.750 1.00 17.58 C +ATOM 238 C VAL A1506 23.816 -3.815 22.683 1.00 16.39 C +ATOM 239 O VAL A1506 25.001 -4.102 22.943 1.00 17.38 O +ATOM 240 CB VAL A1506 22.910 -2.722 24.732 1.00 16.97 C +ATOM 241 CG1 VAL A1506 22.905 -1.394 23.959 1.00 17.97 C +ATOM 242 CG2 VAL A1506 21.841 -2.699 25.767 1.00 18.57 C +ATOM 243 N ATHR A1507 23.391 -3.469 21.459 0.50 15.58 N +ATOM 244 N BTHR A1507 23.419 -3.432 21.490 0.50 15.52 N +ATOM 245 CA ATHR A1507 24.279 -3.204 20.300 0.50 16.28 C +ATOM 246 CA BTHR A1507 24.388 -3.100 20.482 0.50 16.19 C +ATOM 247 C ATHR A1507 24.009 -1.851 19.620 0.50 15.34 C +ATOM 248 C BTHR A1507 24.069 -1.727 19.921 0.50 15.11 C +ATOM 249 O ATHR A1507 22.876 -1.475 19.335 0.50 15.08 O +ATOM 250 O BTHR A1507 22.981 -1.182 20.127 0.50 14.37 O +ATOM 251 CB ATHR A1507 24.181 -4.275 19.172 0.50 16.68 C +ATOM 252 CB BTHR A1507 24.455 -4.168 19.394 0.50 16.63 C +ATOM 253 OG1ATHR A1507 24.690 -5.533 19.636 0.50 18.22 O +ATOM 254 OG1BTHR A1507 23.169 -4.314 18.782 0.50 17.65 O +ATOM 255 CG2ATHR A1507 24.986 -3.834 17.923 0.50 17.25 C +ATOM 256 CG2BTHR A1507 24.861 -5.507 20.014 0.50 17.66 C +ATOM 257 N PHE A1508 25.085 -1.155 19.285 1.00 14.80 N +ATOM 258 CA PHE A1508 24.977 0.110 18.594 1.00 14.93 C +ATOM 259 C PHE A1508 25.422 -0.083 17.161 1.00 15.07 C +ATOM 260 O PHE A1508 26.489 -0.610 16.940 1.00 18.22 O +ATOM 261 CB PHE A1508 25.809 1.184 19.275 1.00 14.60 C +ATOM 262 CG PHE A1508 25.363 1.457 20.681 1.00 12.81 C +ATOM 263 CD1 PHE A1508 24.257 2.251 20.963 1.00 14.50 C +ATOM 264 CD2 PHE A1508 26.028 0.868 21.736 1.00 14.23 C +ATOM 265 CE1 PHE A1508 23.860 2.460 22.282 1.00 14.58 C +ATOM 266 CE2 PHE A1508 25.634 1.070 23.038 1.00 14.95 C +ATOM 267 CZ PHE A1508 24.573 1.847 23.320 1.00 14.48 C +ATOM 268 N ASP A1509 24.596 0.316 16.192 1.00 16.06 N +ATOM 269 CA ASP A1509 25.030 0.372 14.790 1.00 16.71 C +ATOM 270 C ASP A1509 25.348 1.830 14.456 1.00 16.06 C +ATOM 271 O ASP A1509 24.536 2.706 14.698 1.00 17.58 O +ATOM 272 CB ASP A1509 23.935 -0.128 13.841 1.00 18.13 C +ATOM 273 CG ASP A1509 23.599 -1.639 13.981 1.00 22.39 C +ATOM 274 OD1 ASP A1509 24.303 -2.429 14.657 1.00 28.97 O +ATOM 275 OD2 ASP A1509 22.578 -2.037 13.360 1.00 29.35 O +ATOM 276 N ILE A1510 26.525 2.058 13.904 1.00 15.88 N +ATOM 277 CA ILE A1510 26.948 3.436 13.535 1.00 16.63 C +ATOM 278 C ILE A1510 27.033 3.462 12.027 1.00 17.22 C +ATOM 279 O ILE A1510 27.751 2.682 11.429 1.00 18.03 O +ATOM 280 CB ILE A1510 28.259 3.800 14.201 1.00 16.98 C +ATOM 281 CG1 ILE A1510 28.106 3.616 15.726 1.00 19.65 C +ATOM 282 CG2 ILE A1510 28.678 5.228 13.841 1.00 18.61 C +ATOM 283 CD1 ILE A1510 29.242 4.143 16.540 1.00 23.02 C +ATOM 284 N ILE A1511 26.238 4.324 11.420 1.00 17.98 N +ATOM 285 CA ILE A1511 26.061 4.345 9.989 1.00 19.55 C +ATOM 286 C ILE A1511 26.471 5.717 9.438 1.00 19.19 C +ATOM 287 O ILE A1511 26.048 6.747 9.937 1.00 18.38 O +ATOM 288 CB ILE A1511 24.604 4.043 9.605 1.00 19.75 C +ATOM 289 CG1 ILE A1511 24.047 2.820 10.350 1.00 22.84 C +ATOM 290 CG2 ILE A1511 24.506 3.806 8.121 1.00 24.58 C +ATOM 291 CD1 ILE A1511 22.519 2.728 10.316 1.00 24.81 C +ATOM 292 N ALA A1512 27.312 5.719 8.412 1.00 20.87 N +ATOM 293 CA ALA A1512 27.624 6.959 7.731 1.00 20.73 C +ATOM 294 C ALA A1512 26.385 7.525 7.049 1.00 20.42 C +ATOM 295 O ALA A1512 25.421 6.815 6.731 1.00 21.38 O +ATOM 296 CB ALA A1512 28.744 6.737 6.735 1.00 21.75 C +ATOM 297 N THR A1513 26.405 8.836 6.848 1.00 18.55 N +ATOM 298 CA THR A1513 25.350 9.540 6.135 1.00 18.92 C +ATOM 299 C THR A1513 25.958 10.328 4.988 1.00 18.97 C +ATOM 300 O THR A1513 27.168 10.280 4.773 1.00 21.48 O +ATOM 301 CB THR A1513 24.550 10.462 7.038 1.00 18.84 C +ATOM 302 OG1 THR A1513 25.310 11.630 7.351 1.00 17.08 O +ATOM 303 CG2 THR A1513 24.143 9.706 8.317 1.00 18.96 C +ATOM 304 N GLU A1514 25.104 11.015 4.248 1.00 21.31 N +ATOM 305 CA GLU A1514 25.541 11.830 3.108 1.00 21.85 C +ATOM 306 C GLU A1514 26.306 13.097 3.536 1.00 22.23 C +ATOM 307 O GLU A1514 26.795 13.840 2.685 1.00 23.43 O +ATOM 308 CB GLU A1514 24.329 12.210 2.253 1.00 23.25 C +ATOM 309 CG GLU A1514 23.452 13.217 2.906 1.00 24.12 C +ATOM 310 N ASP A1515 26.391 13.363 4.841 1.00 20.24 N +ATOM 311 CA ASP A1515 27.265 14.427 5.370 1.00 18.98 C +ATOM 312 C ASP A1515 28.471 13.802 6.064 1.00 18.52 C +ATOM 313 O ASP A1515 28.317 12.932 6.891 1.00 16.87 O +ATOM 314 CB ASP A1515 26.503 15.308 6.342 1.00 18.74 C +ATOM 315 CG ASP A1515 25.334 16.040 5.690 1.00 22.87 C +ATOM 316 OD1 ASP A1515 25.544 17.007 4.914 1.00 24.77 O +ATOM 317 OD2 ASP A1515 24.182 15.692 5.988 1.00 24.19 O +ATOM 318 N VAL A1516 29.684 14.227 5.716 1.00 17.76 N +ATOM 319 CA VAL A1516 30.890 13.660 6.317 1.00 19.12 C +ATOM 320 C VAL A1516 30.913 13.867 7.824 1.00 19.65 C +ATOM 321 O VAL A1516 31.542 13.049 8.511 1.00 19.12 O +ATOM 322 CB VAL A1516 32.194 14.209 5.704 1.00 20.24 C +ATOM 323 CG1 VAL A1516 32.243 13.967 4.187 1.00 20.79 C +ATOM 324 CG2 VAL A1516 32.350 15.635 5.982 1.00 22.65 C +ATOM 325 N GLY A1517 30.251 14.910 8.326 1.00 18.26 N +ATOM 326 CA GLY A1517 30.264 15.151 9.776 1.00 19.31 C +ATOM 327 C GLY A1517 29.197 14.437 10.591 1.00 18.87 C +ATOM 328 O GLY A1517 29.245 14.459 11.831 1.00 20.46 O +ATOM 329 N ILE A1518 28.280 13.718 9.937 1.00 16.64 N +ATOM 330 CA ILE A1518 27.092 13.258 10.633 1.00 15.20 C +ATOM 331 C ILE A1518 26.943 11.755 10.561 1.00 14.14 C +ATOM 332 O ILE A1518 27.079 11.120 9.514 1.00 14.00 O +ATOM 333 CB ILE A1518 25.833 13.934 10.133 1.00 15.93 C +ATOM 334 CG1 ILE A1518 25.955 15.460 10.296 1.00 19.16 C +ATOM 335 CG2 ILE A1518 24.555 13.375 10.874 1.00 15.81 C +ATOM 336 CD1 ILE A1518 24.802 16.232 9.773 1.00 21.96 C +ATOM 337 N PHE A1519 26.717 11.160 11.741 1.00 14.31 N +ATOM 338 CA PHE A1519 26.563 9.698 11.898 1.00 15.12 C +ATOM 339 C PHE A1519 25.209 9.336 12.465 1.00 13.79 C +ATOM 340 O PHE A1519 24.693 10.006 13.371 1.00 15.02 O +ATOM 341 CB PHE A1519 27.686 9.080 12.746 1.00 15.10 C +ATOM 342 CG PHE A1519 29.025 9.234 12.105 1.00 17.05 C +ATOM 343 CD1 PHE A1519 29.529 8.234 11.298 1.00 19.74 C +ATOM 344 CD2 PHE A1519 29.719 10.395 12.257 1.00 17.60 C +ATOM 345 CE1 PHE A1519 30.750 8.419 10.671 1.00 20.18 C +ATOM 346 CE2 PHE A1519 30.930 10.574 11.653 1.00 20.41 C +ATOM 347 CZ PHE A1519 31.430 9.592 10.866 1.00 20.27 C +ATOM 348 N ASP A1520 24.614 8.288 11.905 1.00 15.38 N +ATOM 349 CA ASP A1520 23.312 7.761 12.311 1.00 16.86 C +ATOM 350 C ASP A1520 23.603 6.604 13.257 1.00 16.40 C +ATOM 351 O ASP A1520 24.249 5.642 12.853 1.00 18.34 O +ATOM 352 CB ASP A1520 22.646 7.314 11.021 1.00 17.23 C +ATOM 353 CG ASP A1520 21.250 6.768 11.183 1.00 20.37 C +ATOM 354 OD1 ASP A1520 20.714 6.740 12.300 1.00 21.85 O +ATOM 355 OD2 ASP A1520 20.661 6.404 10.106 1.00 24.20 O +ATOM 356 N VAL A1521 23.243 6.757 14.522 1.00 14.88 N +ATOM 357 CA VAL A1521 23.524 5.748 15.543 1.00 13.98 C +ATOM 358 C VAL A1521 22.207 5.106 15.960 1.00 14.75 C +ATOM 359 O VAL A1521 21.312 5.771 16.415 1.00 14.55 O +ATOM 360 CB VAL A1521 24.218 6.331 16.761 1.00 13.86 C +ATOM 361 CG1 VAL A1521 24.520 5.233 17.789 1.00 14.70 C +ATOM 362 CG2 VAL A1521 25.518 7.018 16.320 1.00 16.51 C +ATOM 363 N ARG A1522 22.109 3.796 15.759 1.00 15.38 N +ATOM 364 CA ARG A1522 20.949 3.019 16.234 1.00 15.81 C +ATOM 365 C ARG A1522 21.279 2.206 17.468 1.00 15.45 C +ATOM 366 O ARG A1522 22.332 1.550 17.522 1.00 16.96 O +ATOM 367 CB ARG A1522 20.507 2.055 15.166 1.00 16.52 C +ATOM 368 CG ARG A1522 20.366 2.608 13.797 1.00 18.60 C +ATOM 369 CD ARG A1522 19.355 3.661 13.686 1.00 20.78 C +ATOM 370 NE ARG A1522 19.300 4.162 12.306 1.00 23.89 N +ATOM 371 CZ ARG A1522 18.651 3.589 11.303 1.00 27.93 C +ATOM 372 NH1 ARG A1522 17.943 2.487 11.495 1.00 28.77 N +ATOM 373 NH2 ARG A1522 18.687 4.138 10.090 1.00 28.63 N +ATOM 374 N SER A1523 20.384 2.243 18.430 1.00 16.38 N +ATOM 375 CA SER A1523 20.514 1.532 19.695 1.00 16.54 C +ATOM 376 C SER A1523 19.592 0.332 19.651 1.00 17.45 C +ATOM 377 O SER A1523 18.390 0.505 19.507 1.00 18.07 O +ATOM 378 CB SER A1523 20.083 2.401 20.842 1.00 17.57 C +ATOM 379 OG SER A1523 20.226 1.706 22.072 1.00 21.11 O +ATOM 380 N LYS A1524 20.175 -0.853 19.733 1.00 15.61 N +ATOM 381 CA LYS A1524 19.390 -2.117 19.633 1.00 17.59 C +ATOM 382 C LYS A1524 19.416 -2.823 20.981 1.00 17.55 C +ATOM 383 O LYS A1524 20.403 -2.763 21.728 1.00 17.60 O +ATOM 384 CB LYS A1524 19.933 -2.986 18.523 1.00 17.85 C +ATOM 385 CG LYS A1524 19.916 -2.263 17.148 1.00 21.59 C +ATOM 386 CD LYS A1524 20.670 -3.041 16.116 1.00 28.44 C +ATOM 387 CE LYS A1524 19.839 -4.155 15.561 1.00 32.45 C +ATOM 388 NZ LYS A1524 19.243 -3.787 14.236 1.00 35.62 N +ATOM 389 N PHE A1525 18.317 -3.500 21.307 1.00 16.79 N +ATOM 390 CA PHE A1525 18.235 -4.301 22.500 1.00 16.13 C +ATOM 391 C PHE A1525 17.692 -5.652 22.054 1.00 15.05 C +ATOM 392 O PHE A1525 16.629 -5.691 21.442 1.00 14.68 O +ATOM 393 CB PHE A1525 17.294 -3.662 23.509 1.00 17.00 C +ATOM 394 CG PHE A1525 17.397 -4.241 24.879 1.00 19.02 C +ATOM 395 CD1 PHE A1525 18.291 -3.712 25.786 1.00 25.43 C +ATOM 396 CD2 PHE A1525 16.614 -5.294 25.277 1.00 19.77 C +ATOM 397 CE1 PHE A1525 18.420 -4.257 27.049 1.00 26.28 C +ATOM 398 CE2 PHE A1525 16.757 -5.832 26.526 1.00 19.92 C +ATOM 399 CZ PHE A1525 17.645 -5.323 27.407 1.00 23.31 C +ATOM 400 N LEU A1526 18.444 -6.720 22.312 1.00 14.99 N +ATOM 401 CA LEU A1526 18.068 -8.076 21.840 1.00 15.16 C +ATOM 402 C LEU A1526 17.638 -8.047 20.374 1.00 15.02 C +ATOM 403 O LEU A1526 16.644 -8.661 19.919 1.00 17.00 O +ATOM 404 CB LEU A1526 17.014 -8.682 22.774 1.00 15.99 C +ATOM 405 CG LEU A1526 17.536 -8.879 24.201 1.00 18.01 C +ATOM 406 CD1 LEU A1526 16.371 -9.275 25.146 1.00 21.28 C +ATOM 407 CD2 LEU A1526 18.711 -9.852 24.292 1.00 19.21 C +ATOM 408 N GLY A1527 18.414 -7.322 19.575 1.00 15.31 N +ATOM 409 CA GLY A1527 18.223 -7.310 18.126 1.00 17.66 C +ATOM 410 C GLY A1527 17.189 -6.317 17.624 1.00 17.61 C +ATOM 411 O GLY A1527 16.989 -6.190 16.403 1.00 21.67 O +ATOM 412 N VAL A1528 16.525 -5.636 18.544 1.00 16.61 N +ATOM 413 CA VAL A1528 15.413 -4.747 18.257 1.00 16.39 C +ATOM 414 C VAL A1528 15.920 -3.290 18.345 1.00 15.91 C +ATOM 415 O VAL A1528 16.399 -2.890 19.374 1.00 17.28 O +ATOM 416 CB VAL A1528 14.227 -4.919 19.282 1.00 15.17 C +ATOM 417 CG1 VAL A1528 13.063 -3.916 19.005 1.00 16.34 C +ATOM 418 CG2 VAL A1528 13.683 -6.356 19.275 1.00 17.11 C +ATOM 419 N GLU A1529 15.687 -2.494 17.298 1.00 18.29 N +ATOM 420 CA GLU A1529 16.033 -1.057 17.338 1.00 19.06 C +ATOM 421 C GLU A1529 15.067 -0.349 18.275 1.00 20.14 C +ATOM 422 O GLU A1529 13.835 -0.363 18.043 1.00 21.98 O +ATOM 423 CB GLU A1529 16.000 -0.419 15.956 1.00 19.95 C +ATOM 424 CG GLU A1529 16.416 1.078 16.020 1.00 19.72 C +ATOM 425 CD GLU A1529 16.408 1.774 14.671 1.00 19.05 C +ATOM 426 OE1 GLU A1529 16.983 1.208 13.730 1.00 23.52 O +ATOM 427 OE2 GLU A1529 15.831 2.888 14.574 1.00 26.06 O +ATOM 428 N MET A1530 15.594 0.271 19.323 1.00 20.30 N +ATOM 429 CA MET A1530 14.830 0.941 20.377 1.00 21.48 C +ATOM 430 C MET A1530 14.853 2.464 20.235 1.00 22.00 C +ATOM 431 O MET A1530 13.900 3.154 20.620 1.00 23.34 O +ATOM 432 CB MET A1530 15.409 0.574 21.746 1.00 22.39 C +ATOM 433 CG MET A1530 15.379 -0.937 22.075 1.00 23.70 C +ATOM 434 SD MET A1530 13.746 -1.748 21.971 1.00 29.03 S +ATOM 435 CE MET A1530 12.668 -0.519 22.677 1.00 28.82 C +ATOM 436 N GLU A1531 15.942 3.000 19.684 1.00 20.69 N +ATOM 437 CA AGLU A1531 16.032 4.432 19.474 0.50 20.10 C +ATOM 438 CA BGLU A1531 16.157 4.448 19.640 0.50 20.60 C +ATOM 439 C GLU A1531 17.202 4.717 18.568 1.00 19.02 C +ATOM 440 O GLU A1531 17.946 3.825 18.192 1.00 16.61 O +ATOM 441 CB AGLU A1531 16.144 5.175 20.801 0.50 20.42 C +ATOM 442 CB BGLU A1531 16.649 4.980 21.006 0.50 21.38 C +ATOM 443 CG AGLU A1531 16.996 4.471 21.839 0.50 21.42 C +ATOM 444 CG BGLU A1531 15.581 5.075 22.113 0.50 24.27 C +ATOM 445 CD AGLU A1531 17.055 5.227 23.122 0.50 25.72 C +ATOM 446 CD BGLU A1531 16.011 5.906 23.324 0.50 28.85 C +ATOM 447 OE1AGLU A1531 17.510 4.637 24.128 0.50 28.37 O +ATOM 448 OE1BGLU A1531 17.087 5.616 23.907 0.50 30.29 O +ATOM 449 OE2AGLU A1531 16.640 6.412 23.121 0.50 29.24 O +ATOM 450 OE2BGLU A1531 15.266 6.846 23.710 0.50 32.03 O +ATOM 451 N LYS A1532 17.271 5.944 18.098 1.00 18.51 N +ATOM 452 CA LYS A1532 18.268 6.347 17.109 1.00 18.96 C +ATOM 453 C LYS A1532 18.570 7.820 17.362 1.00 17.24 C +ATOM 454 O LYS A1532 17.741 8.568 17.909 1.00 16.84 O +ATOM 455 CB LYS A1532 17.775 6.140 15.686 1.00 19.40 C +ATOM 456 CG LYS A1532 16.543 6.949 15.367 1.00 24.46 C +ATOM 457 CD LYS A1532 15.933 6.621 14.005 1.00 28.66 C +ATOM 458 CE LYS A1532 16.836 6.933 12.848 1.00 30.89 C +ATOM 459 NZ LYS A1532 16.097 6.655 11.553 1.00 34.71 N +ATOM 460 N VAL A1533 19.793 8.207 17.019 1.00 15.81 N +ATOM 461 CA VAL A1533 20.235 9.594 17.187 1.00 15.43 C +ATOM 462 C VAL A1533 21.154 9.917 16.048 1.00 15.20 C +ATOM 463 O VAL A1533 21.922 9.080 15.599 1.00 15.30 O +ATOM 464 CB VAL A1533 20.940 9.812 18.562 1.00 15.02 C +ATOM 465 CG1 VAL A1533 22.242 9.018 18.728 1.00 14.86 C +ATOM 466 CG2 VAL A1533 21.163 11.311 18.879 1.00 16.73 C +ATOM 467 N GLN A1534 21.091 11.145 15.542 1.00 15.52 N +ATOM 468 CA GLN A1534 22.045 11.615 14.564 1.00 16.11 C +ATOM 469 C GLN A1534 23.054 12.474 15.294 1.00 16.22 C +ATOM 470 O GLN A1534 22.682 13.431 15.973 1.00 17.79 O +ATOM 471 CB GLN A1534 21.388 12.444 13.463 1.00 17.70 C +ATOM 472 CG GLN A1534 20.170 11.822 12.794 1.00 21.43 C +ATOM 473 CD GLN A1534 20.393 10.413 12.341 1.00 25.01 C +ATOM 474 OE1 GLN A1534 21.132 10.175 11.379 1.00 26.53 O +ATOM 475 NE2 GLN A1534 19.725 9.455 13.006 1.00 26.19 N +ATOM 476 N LEU A1535 24.321 12.125 15.172 1.00 13.80 N +ATOM 477 CA LEU A1535 25.390 12.812 15.866 1.00 14.16 C +ATOM 478 C LEU A1535 26.241 13.558 14.855 1.00 14.78 C +ATOM 479 O LEU A1535 26.822 12.971 13.972 1.00 15.69 O +ATOM 480 CB LEU A1535 26.283 11.825 16.602 1.00 14.76 C +ATOM 481 CG LEU A1535 25.684 11.008 17.751 1.00 14.69 C +ATOM 482 CD1 LEU A1535 26.746 10.038 18.337 1.00 18.19 C +ATOM 483 CD2 LEU A1535 25.099 11.908 18.841 1.00 15.79 C +ATOM 484 N ASN A1536 26.330 14.849 15.049 1.00 14.41 N +ATOM 485 CA ASN A1536 27.209 15.715 14.257 1.00 14.99 C +ATOM 486 C ASN A1536 28.514 15.903 15.054 1.00 15.72 C +ATOM 487 O ASN A1536 28.500 16.430 16.187 1.00 15.36 O +ATOM 488 CB ASN A1536 26.485 17.022 13.990 1.00 15.73 C +ATOM 489 CG ASN A1536 27.296 17.990 13.192 1.00 17.71 C +ATOM 490 OD1 ASN A1536 28.480 17.745 12.909 1.00 19.98 O +ATOM 491 ND2 ASN A1536 26.673 19.085 12.824 1.00 21.36 N +ATOM 492 N ILE A1537 29.620 15.451 14.475 1.00 16.31 N +ATOM 493 CA ILE A1537 30.930 15.528 15.156 1.00 17.64 C +ATOM 494 C ILE A1537 31.239 16.968 15.545 1.00 17.75 C +ATOM 495 O ILE A1537 31.929 17.150 16.559 1.00 18.17 O +ATOM 496 CB ILE A1537 32.044 14.775 14.293 1.00 19.05 C +ATOM 497 CG1 ILE A1537 33.200 14.273 15.193 1.00 21.54 C +ATOM 498 CG2 ILE A1537 32.543 15.672 13.225 1.00 22.40 C +ATOM 499 CD1 ILE A1537 34.143 13.188 14.503 1.00 25.70 C +ATOM 500 N GLN A1538 30.701 17.985 14.862 1.00 17.77 N +ATOM 501 CA AGLN A1538 30.952 19.342 15.315 0.50 18.39 C +ATOM 502 CA BGLN A1538 30.822 19.437 15.259 0.50 18.62 C +ATOM 503 C GLN A1538 30.240 19.704 16.628 1.00 18.10 C +ATOM 504 O GLN A1538 30.731 20.539 17.403 1.00 17.86 O +ATOM 505 CB AGLN A1538 30.647 20.276 14.182 0.50 18.72 C +ATOM 506 CB BGLN A1538 30.106 20.400 14.280 0.50 19.08 C +ATOM 507 CG AGLN A1538 31.452 19.859 12.960 0.50 18.84 C +ATOM 508 CG BGLN A1538 30.130 21.911 14.707 0.50 22.10 C +ATOM 509 CD AGLN A1538 31.109 20.656 11.720 0.50 20.57 C +ATOM 510 CD BGLN A1538 29.777 22.909 13.608 0.50 26.20 C +ATOM 511 OE1AGLN A1538 31.072 21.881 11.758 0.50 22.90 O +ATOM 512 OE1BGLN A1538 29.233 22.545 12.563 0.50 30.76 O +ATOM 513 NE2AGLN A1538 30.823 19.963 10.631 0.50 20.60 N +ATOM 514 NE2BGLN A1538 30.085 24.185 13.848 0.50 27.66 N +ATOM 515 N ASP A1539 29.104 19.084 16.898 1.00 16.70 N +ATOM 516 CA ASP A1539 28.451 19.283 18.188 1.00 16.72 C +ATOM 517 C ASP A1539 29.317 18.669 19.304 1.00 16.63 C +ATOM 518 O ASP A1539 29.444 19.228 20.406 1.00 15.74 O +ATOM 519 CB ASP A1539 27.045 18.661 18.193 1.00 17.19 C +ATOM 520 CG ASP A1539 26.042 19.451 17.336 1.00 20.99 C +ATOM 521 OD1 ASP A1539 26.113 20.716 17.341 1.00 27.98 O +ATOM 522 OD2 ASP A1539 25.187 18.832 16.678 1.00 22.15 O +ATOM 523 N LEU A1540 29.975 17.553 19.034 1.00 14.81 N +ATOM 524 CA LEU A1540 30.869 16.903 19.971 1.00 15.07 C +ATOM 525 C LEU A1540 32.107 17.772 20.210 1.00 14.08 C +ATOM 526 O LEU A1540 32.566 17.910 21.339 1.00 15.19 O +ATOM 527 CB LEU A1540 31.237 15.501 19.482 1.00 16.49 C +ATOM 528 CG LEU A1540 30.069 14.521 19.261 1.00 19.09 C +ATOM 529 CD1 LEU A1540 30.619 13.202 18.808 1.00 20.97 C +ATOM 530 CD2 LEU A1540 29.270 14.313 20.485 1.00 22.65 C +ATOM 531 N LEU A1541 32.593 18.377 19.137 1.00 14.95 N +ATOM 532 CA LEU A1541 33.779 19.247 19.244 1.00 15.61 C +ATOM 533 C LEU A1541 33.428 20.460 20.070 1.00 17.67 C +ATOM 534 O LEU A1541 34.317 20.925 20.819 1.00 20.05 O +ATOM 535 CB LEU A1541 34.288 19.701 17.899 1.00 15.78 C +ATOM 536 CG LEU A1541 35.002 18.633 17.099 1.00 15.47 C +ATOM 537 CD1 LEU A1541 35.187 19.113 15.641 1.00 17.32 C +ATOM 538 CD2 LEU A1541 36.313 18.209 17.731 1.00 18.70 C +ATOM 539 N GLN A1542 32.202 20.985 19.960 1.00 17.58 N +ATOM 540 CA GLN A1542 31.756 22.166 20.771 1.00 18.46 C +ATOM 541 C GLN A1542 31.781 21.771 22.243 1.00 19.82 C +ATOM 542 O GLN A1542 32.260 22.539 23.098 1.00 22.85 O +ATOM 543 CB GLN A1542 30.406 22.713 20.331 1.00 19.30 C +ATOM 544 CG GLN A1542 30.487 23.533 19.065 1.00 23.65 C +ATOM 545 CD GLN A1542 29.177 24.054 18.496 1.00 28.93 C +ATOM 546 OE1 GLN A1542 28.079 23.943 19.079 1.00 30.47 O +ATOM 547 NE2 GLN A1542 29.299 24.632 17.299 1.00 30.08 N +ATOM 548 N MET A1543 31.388 20.541 22.540 1.00 18.51 N +ATOM 549 CA MET A1543 31.439 20.029 23.924 1.00 19.28 C +ATOM 550 C MET A1543 32.854 19.962 24.442 1.00 20.61 C +ATOM 551 O MET A1543 33.105 20.377 25.600 1.00 22.16 O +ATOM 552 CB MET A1543 30.829 18.639 24.000 1.00 18.11 C +ATOM 553 CG MET A1543 29.367 18.602 23.791 1.00 17.25 C +ATOM 554 SD MET A1543 28.766 16.920 23.714 1.00 17.14 S +ATOM 555 CE MET A1543 27.089 17.232 23.147 1.00 21.84 C +ATOM 556 N GLN A1544 33.767 19.458 23.627 1.00 21.90 N +ATOM 557 CA GLN A1544 35.216 19.372 23.927 1.00 23.40 C +ATOM 558 C GLN A1544 35.730 20.801 24.240 1.00 25.82 C +ATOM 559 O GLN A1544 36.718 20.912 25.006 1.00 27.82 O +ATOM 560 CB GLN A1544 35.974 18.669 22.791 1.00 24.53 C +ATOM 561 CG GLN A1544 37.499 18.420 22.948 1.00 27.06 C +ATOM 562 CD GLN A1544 38.184 17.981 21.644 1.00 29.46 C +ATOM 563 OE1 GLN A1544 38.632 18.833 20.833 1.00 28.81 O +ATOM 564 NE2 GLN A1544 38.328 16.656 21.459 1.00 29.24 N +ATOM 565 N TYR A1545 35.003 21.839 23.739 1.00 27.20 N +ATOM 566 CA TYR A1545 35.239 23.318 24.066 1.00 27.17 C +ATOM 567 C TYR A1545 34.554 23.962 25.269 1.00 28.24 C +ATOM 568 O TYR A1545 34.981 25.054 25.718 1.00 29.22 O +ATOM 569 CB TYR A1545 34.859 24.237 22.859 1.00 27.11 C +ATOM 570 CG TYR A1545 35.401 23.797 21.538 1.00 25.26 C +ATOM 571 CD1 TYR A1545 36.614 23.148 21.454 1.00 23.49 C +ATOM 572 CD2 TYR A1545 34.689 24.044 20.338 1.00 23.86 C +ATOM 573 CE1 TYR A1545 37.118 22.697 20.220 1.00 27.43 C +ATOM 574 CE2 TYR A1545 35.171 23.609 19.099 1.00 26.62 C +ATOM 575 CZ TYR A1545 36.408 22.928 19.052 1.00 26.25 C +ATOM 576 OH TYR A1545 36.956 22.476 17.858 1.00 27.38 O +ATOM 577 N GLU A1546 33.440 23.432 25.735 1.00 28.46 N +ATOM 578 CA GLU A1546 32.985 23.842 27.029 1.00 28.51 C +ATOM 579 C GLU A1546 33.861 23.090 28.089 1.00 27.00 C +ATOM 580 O GLU A1546 33.634 23.300 29.262 1.00 29.87 O +ATOM 581 CB GLU A1546 31.469 23.614 27.233 1.00 29.47 C +ATOM 582 CG GLU A1546 30.505 24.222 26.183 1.00 30.89 C +ATOM 583 CD GLU A1546 30.429 25.743 26.211 1.00 33.89 C +ATOM 584 OE1 GLU A1546 30.832 26.366 25.187 1.00 36.16 O +ATOM 585 OE2 GLU A1546 29.969 26.319 27.236 1.00 33.35 O +ATOM 586 N GLY A1547 34.841 22.267 27.668 1.00 26.21 N +ATOM 587 CA GLY A1547 35.600 21.317 28.532 1.00 24.20 C +ATOM 588 C GLY A1547 34.760 20.193 29.142 1.00 22.42 C +ATOM 589 O GLY A1547 34.954 19.782 30.294 1.00 21.15 O +ATOM 590 N VAL A1548 33.802 19.702 28.354 1.00 18.89 N +ATOM 591 CA VAL A1548 32.857 18.670 28.756 1.00 17.94 C +ATOM 592 C VAL A1548 33.422 17.333 28.318 1.00 15.06 C +ATOM 593 O VAL A1548 33.721 17.105 27.127 1.00 16.31 O +ATOM 594 CB VAL A1548 31.526 18.881 28.047 1.00 18.32 C +ATOM 595 CG1 VAL A1548 30.500 17.812 28.470 1.00 21.01 C +ATOM 596 CG2 VAL A1548 31.031 20.292 28.314 1.00 21.30 C +ATOM 597 N ALA A1549 33.565 16.414 29.266 1.00 12.40 N +ATOM 598 CA ALA A1549 34.133 15.111 29.039 1.00 10.95 C +ATOM 599 C ALA A1549 33.156 14.038 28.620 1.00 11.67 C +ATOM 600 O ALA A1549 33.569 13.063 27.983 1.00 10.93 O +ATOM 601 CB ALA A1549 34.868 14.646 30.288 1.00 12.06 C +ATOM 602 N VAL A1550 31.899 14.169 29.040 1.00 11.23 N +ATOM 603 CA VAL A1550 30.904 13.138 28.854 1.00 12.36 C +ATOM 604 C VAL A1550 29.557 13.752 28.449 1.00 12.92 C +ATOM 605 O VAL A1550 29.249 14.904 28.795 1.00 13.57 O +ATOM 606 CB VAL A1550 30.703 12.366 30.158 1.00 13.02 C +ATOM 607 CG1 VAL A1550 32.011 11.691 30.545 1.00 13.92 C +ATOM 608 CG2 VAL A1550 30.189 13.290 31.243 1.00 16.96 C +ATOM 609 N MET A1551 28.794 12.969 27.722 1.00 12.44 N +ATOM 610 CA AMET A1551 27.455 13.352 27.235 0.50 12.38 C +ATOM 611 CA BMET A1551 27.449 13.368 27.302 0.50 12.50 C +ATOM 612 C MET A1551 26.508 12.172 27.362 1.00 13.11 C +ATOM 613 O MET A1551 26.931 11.023 27.597 1.00 13.18 O +ATOM 614 CB AMET A1551 27.509 13.771 25.770 0.50 12.80 C +ATOM 615 CB BMET A1551 27.480 14.013 25.918 0.50 12.92 C +ATOM 616 CG AMET A1551 27.968 12.656 24.855 0.50 14.85 C +ATOM 617 CG BMET A1551 27.949 13.111 24.801 0.50 14.85 C +ATOM 618 SD AMET A1551 28.126 13.235 23.189 0.50 18.11 S +ATOM 619 SD BMET A1551 26.629 12.111 24.149 0.50 17.86 S +ATOM 620 CE AMET A1551 26.832 12.316 22.375 0.50 18.29 C +ATOM 621 CE BMET A1551 27.216 11.700 22.508 0.50 18.05 C +ATOM 622 N LYS A1552 25.226 12.420 27.113 1.00 12.99 N +ATOM 623 CA LYS A1552 24.230 11.362 27.126 1.00 15.81 C +ATOM 624 C LYS A1552 23.747 11.161 25.707 1.00 16.97 C +ATOM 625 O LYS A1552 22.922 11.957 25.214 1.00 18.27 O +ATOM 626 CB LYS A1552 23.080 11.733 28.054 1.00 18.24 C +ATOM 627 CG LYS A1552 23.411 11.544 29.478 1.00 24.32 C +ATOM 628 CD LYS A1552 22.402 10.547 30.108 1.00 32.52 C +ATOM 629 CE LYS A1552 22.463 10.490 31.628 1.00 36.16 C +ATOM 630 NZ LYS A1552 21.338 9.662 32.177 1.00 38.43 N +ATOM 631 N MET A1553 24.311 10.139 25.033 1.00 18.45 N +ATOM 632 CA MET A1553 24.131 9.895 23.608 1.00 17.97 C +ATOM 633 C MET A1553 22.709 9.469 23.416 1.00 19.58 C +ATOM 634 O MET A1553 22.132 9.737 22.390 1.00 20.68 O +ATOM 635 CB MET A1553 25.104 8.811 23.113 1.00 19.68 C +ATOM 636 CG MET A1553 24.970 8.316 21.667 1.00 14.26 C +ATOM 637 SD MET A1553 26.347 7.274 21.178 1.00 21.01 S +ATOM 638 CE MET A1553 25.873 5.758 22.064 1.00 19.97 C +ATOM 639 N PHE A1554 22.187 8.789 24.410 1.00 20.17 N +ATOM 640 CA PHE A1554 20.744 8.518 24.574 1.00 21.52 C +ATOM 641 C PHE A1554 20.462 8.856 25.997 1.00 23.34 C +ATOM 642 O PHE A1554 21.387 8.919 26.778 1.00 23.92 O +ATOM 643 CB PHE A1554 20.374 7.042 24.265 1.00 21.59 C +ATOM 644 CG PHE A1554 20.609 6.634 22.817 1.00 18.74 C +ATOM 645 CD1 PHE A1554 19.736 7.035 21.791 1.00 20.19 C +ATOM 646 CD2 PHE A1554 21.746 5.937 22.457 1.00 18.73 C +ATOM 647 CE1 PHE A1554 20.004 6.658 20.484 1.00 18.22 C +ATOM 648 CE2 PHE A1554 22.005 5.597 21.168 1.00 18.39 C +ATOM 649 CZ PHE A1554 21.124 5.961 20.178 1.00 19.00 C +ATOM 650 N ASP A1555 19.187 9.134 26.326 1.00 26.17 N +ATOM 651 CA ASP A1555 18.834 9.668 27.655 1.00 27.52 C +ATOM 652 C ASP A1555 19.377 8.828 28.789 1.00 26.17 C +ATOM 653 O ASP A1555 19.393 9.275 29.929 1.00 29.37 O +ATOM 654 CB ASP A1555 17.316 9.721 27.832 1.00 29.26 C +ATOM 655 CG ASP A1555 16.691 10.942 27.204 1.00 32.61 C +ATOM 656 OD1 ASP A1555 17.430 11.813 26.677 1.00 40.81 O +ATOM 657 OD2 ASP A1555 15.439 11.030 27.243 1.00 40.88 O +ATOM 658 N LYS A1556 19.794 7.612 28.464 1.00 24.69 N +ATOM 659 CA ALYS A1556 20.217 6.652 29.463 0.50 23.34 C +ATOM 660 CA BLYS A1556 20.192 6.604 29.414 0.50 23.14 C +ATOM 661 C LYS A1556 21.676 6.235 29.261 1.00 20.87 C +ATOM 662 O LYS A1556 22.241 5.561 30.122 1.00 21.15 O +ATOM 663 CB ALYS A1556 19.306 5.414 29.449 0.50 24.04 C +ATOM 664 CB BLYS A1556 19.346 5.347 29.186 0.50 23.64 C +ATOM 665 CG ALYS A1556 18.903 4.930 28.057 0.50 25.47 C +ATOM 666 CG BLYS A1556 19.317 4.829 27.730 0.50 24.44 C +ATOM 667 CD ALYS A1556 18.223 3.564 28.093 0.50 25.00 C +ATOM 668 CD BLYS A1556 18.188 5.449 26.882 0.50 22.22 C +ATOM 669 N VAL A1557 22.288 6.672 28.155 1.00 18.06 N +ATOM 670 CA VAL A1557 23.580 6.113 27.735 1.00 15.90 C +ATOM 671 C VAL A1557 24.656 7.187 27.822 1.00 13.42 C +ATOM 672 O VAL A1557 24.680 8.121 27.043 1.00 14.54 O +ATOM 673 CB VAL A1557 23.544 5.514 26.306 1.00 15.04 C +ATOM 674 CG1 VAL A1557 24.876 4.924 25.903 1.00 13.42 C +ATOM 675 CG2 VAL A1557 22.451 4.397 26.184 1.00 15.69 C +ATOM 676 N LYS A1558 25.514 7.081 28.827 1.00 11.94 N +ATOM 677 CA LYS A1558 26.578 8.036 29.058 1.00 12.81 C +ATOM 678 C LYS A1558 27.825 7.597 28.330 1.00 11.33 C +ATOM 679 O LYS A1558 28.280 6.464 28.523 1.00 11.38 O +ATOM 680 CB LYS A1558 26.890 8.148 30.560 1.00 13.25 C +ATOM 681 CG LYS A1558 27.786 9.314 30.924 1.00 18.77 C +ATOM 682 CD LYS A1558 27.932 9.447 32.449 1.00 25.07 C +ATOM 683 CE LYS A1558 26.638 9.888 33.105 1.00 29.50 C +ATOM 684 NZ LYS A1558 26.873 10.299 34.544 1.00 34.01 N +ATOM 685 N VAL A1559 28.399 8.524 27.544 1.00 9.60 N +ATOM 686 CA VAL A1559 29.567 8.272 26.716 1.00 11.12 C +ATOM 687 C VAL A1559 30.624 9.347 26.876 1.00 11.22 C +ATOM 688 O VAL A1559 30.339 10.508 27.174 1.00 12.35 O +ATOM 689 CB VAL A1559 29.225 8.083 25.228 1.00 11.08 C +ATOM 690 CG1 VAL A1559 28.225 6.893 25.033 1.00 13.31 C +ATOM 691 CG2 VAL A1559 28.709 9.303 24.642 1.00 13.55 C +ATOM 692 N ASN A1560 31.873 8.958 26.631 1.00 9.74 N +ATOM 693 CA ASN A1560 33.027 9.836 26.675 1.00 9.27 C +ATOM 694 C ASN A1560 33.188 10.555 25.328 1.00 9.33 C +ATOM 695 O ASN A1560 33.318 9.902 24.294 1.00 9.67 O +ATOM 696 CB ASN A1560 34.286 9.063 27.061 1.00 10.00 C +ATOM 697 CG ASN A1560 35.465 9.939 27.181 1.00 10.45 C +ATOM 698 OD1 ASN A1560 36.048 10.351 26.168 1.00 11.37 O +ATOM 699 ND2 ASN A1560 35.880 10.247 28.411 1.00 10.16 N +ATOM 700 N VAL A1561 33.175 11.891 25.371 1.00 9.54 N +ATOM 701 CA VAL A1561 33.149 12.732 24.200 1.00 10.09 C +ATOM 702 C VAL A1561 34.417 12.474 23.391 1.00 10.01 C +ATOM 703 O VAL A1561 34.323 12.268 22.165 1.00 11.10 O +ATOM 704 CB VAL A1561 33.007 14.239 24.568 1.00 10.27 C +ATOM 705 CG1 VAL A1561 33.207 15.122 23.346 1.00 14.07 C +ATOM 706 CG2 VAL A1561 31.625 14.513 25.167 1.00 11.74 C +ATOM 707 N ASN A1562 35.599 12.595 23.980 1.00 11.96 N +ATOM 708 CA ASN A1562 36.836 12.474 23.214 1.00 12.48 C +ATOM 709 C ASN A1562 36.953 11.111 22.586 1.00 11.13 C +ATOM 710 O ASN A1562 37.368 10.985 21.442 1.00 12.74 O +ATOM 711 CB ASN A1562 38.065 12.736 24.109 1.00 14.45 C +ATOM 712 CG ASN A1562 38.290 14.245 24.396 1.00 20.45 C +ATOM 713 OD1 ASN A1562 37.598 15.113 23.828 1.00 24.93 O +ATOM 714 ND2 ASN A1562 39.252 14.554 25.269 1.00 23.89 N +ATOM 715 N LEU A1563 36.619 10.047 23.301 1.00 10.68 N +ATOM 716 CA LEU A1563 36.765 8.715 22.751 1.00 10.58 C +ATOM 717 C LEU A1563 35.726 8.449 21.661 1.00 11.14 C +ATOM 718 O LEU A1563 35.980 7.719 20.728 1.00 13.01 O +ATOM 719 CB LEU A1563 36.699 7.657 23.857 1.00 11.53 C +ATOM 720 CG LEU A1563 37.847 7.710 24.857 1.00 12.54 C +ATOM 721 CD1 LEU A1563 37.745 6.707 25.996 1.00 13.41 C +ATOM 722 CD2 LEU A1563 39.173 7.490 24.064 1.00 16.34 C +ATOM 723 N LEU A1564 34.540 9.030 21.793 1.00 10.67 N +ATOM 724 CA LEU A1564 33.540 8.900 20.757 1.00 11.30 C +ATOM 725 C LEU A1564 33.959 9.600 19.466 1.00 12.24 C +ATOM 726 O LEU A1564 33.783 9.045 18.384 1.00 11.77 O +ATOM 727 CB LEU A1564 32.182 9.432 21.225 1.00 12.22 C +ATOM 728 CG LEU A1564 31.051 9.302 20.196 1.00 12.02 C +ATOM 729 CD1 LEU A1564 30.781 7.827 19.868 1.00 14.07 C +ATOM 730 CD2 LEU A1564 29.784 9.936 20.764 1.00 14.07 C +ATOM 731 N ILE A1565 34.499 10.815 19.566 1.00 11.50 N +ATOM 732 CA ILE A1565 34.952 11.534 18.371 1.00 12.78 C +ATOM 733 C ILE A1565 35.996 10.639 17.656 1.00 13.11 C +ATOM 734 O ILE A1565 35.939 10.484 16.445 1.00 15.39 O +ATOM 735 CB ILE A1565 35.528 12.942 18.718 1.00 12.17 C +ATOM 736 CG1 ILE A1565 34.457 13.879 19.276 1.00 13.38 C +ATOM 737 CG2 ILE A1565 36.249 13.565 17.481 1.00 16.03 C +ATOM 738 CD1 ILE A1565 35.107 15.109 19.911 1.00 15.96 C +ATOM 739 N TYR A1566 36.925 10.055 18.402 1.00 13.12 N +ATOM 740 CA TYR A1566 37.992 9.220 17.802 1.00 14.97 C +ATOM 741 C TYR A1566 37.351 8.028 17.100 1.00 15.11 C +ATOM 742 O TYR A1566 37.710 7.692 15.976 1.00 16.53 O +ATOM 743 CB TYR A1566 39.035 8.792 18.844 1.00 16.51 C +ATOM 744 CG TYR A1566 40.141 7.926 18.310 1.00 20.87 C +ATOM 745 CD1 TYR A1566 41.229 8.487 17.671 1.00 25.40 C +ATOM 746 CD2 TYR A1566 40.098 6.544 18.450 1.00 23.57 C +ATOM 747 CE1 TYR A1566 42.249 7.698 17.169 1.00 28.47 C +ATOM 748 CE2 TYR A1566 41.114 5.748 17.947 1.00 26.71 C +ATOM 749 CZ TYR A1566 42.181 6.335 17.326 1.00 29.39 C +ATOM 750 OH TYR A1566 43.195 5.548 16.836 1.00 34.96 O +ATOM 751 N LEU A1567 36.387 7.400 17.755 1.00 14.63 N +ATOM 752 CA ALEU A1567 35.684 6.226 17.217 0.50 15.58 C +ATOM 753 CA BLEU A1567 35.716 6.227 17.196 0.50 15.69 C +ATOM 754 C LEU A1567 34.983 6.564 15.908 1.00 16.19 C +ATOM 755 O LEU A1567 35.079 5.809 14.915 1.00 17.02 O +ATOM 756 CB ALEU A1567 34.688 5.678 18.258 0.50 15.55 C +ATOM 757 CB BLEU A1567 34.779 5.591 18.228 0.50 15.57 C +ATOM 758 CG ALEU A1567 34.025 4.318 18.027 0.50 16.11 C +ATOM 759 CG BLEU A1567 33.976 4.373 17.773 0.50 16.90 C +ATOM 760 CD1ALEU A1567 35.033 3.213 18.325 0.50 17.42 C +ATOM 761 CD1BLEU A1567 33.647 3.527 18.979 0.50 16.47 C +ATOM 762 CD2ALEU A1567 32.760 4.159 18.860 0.50 14.57 C +ATOM 763 CD2BLEU A1567 32.727 4.782 16.977 0.50 18.59 C +ATOM 764 N LEU A1568 34.294 7.691 15.884 1.00 15.66 N +ATOM 765 CA LEU A1568 33.519 8.115 14.711 1.00 17.61 C +ATOM 766 C LEU A1568 34.483 8.454 13.592 1.00 19.02 C +ATOM 767 O LEU A1568 34.151 8.234 12.412 1.00 22.92 O +ATOM 768 CB LEU A1568 32.594 9.298 15.026 1.00 17.00 C +ATOM 769 CG LEU A1568 31.447 9.007 15.995 1.00 16.41 C +ATOM 770 CD1 LEU A1568 30.751 10.306 16.254 1.00 16.84 C +ATOM 771 CD2 LEU A1568 30.496 7.935 15.477 1.00 18.26 C +ATOM 772 N ASN A1569 35.667 8.956 13.901 1.00 19.54 N +ATOM 773 CA ASN A1569 36.614 9.345 12.869 1.00 22.31 C +ATOM 774 C ASN A1569 37.482 8.163 12.375 1.00 25.92 C +ATOM 775 O ASN A1569 38.274 8.316 11.430 1.00 28.67 O +ATOM 776 CB ASN A1569 37.457 10.492 13.386 1.00 22.95 C +ATOM 777 N LYS A1570 37.297 6.981 12.954 1.00 28.28 N +ATOM 778 CA LYS A1570 38.138 5.813 12.648 1.00 29.90 C +ATOM 779 C LYS A1570 37.474 4.945 11.577 1.00 31.06 C +ATOM 780 O LYS A1570 36.626 5.428 10.808 1.00 33.56 O +ATOM 781 CB LYS A1570 38.373 4.978 13.909 1.00 30.93 C Added: SwiftApps/modFTdock/input/3isu-1.pdb =================================================================== --- SwiftApps/modFTdock/input/3isu-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/3isu-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,821 @@ +ATOM 1 N TYR A1525 24.438 -7.478 -16.271 1.00 54.37 N +ATOM 2 CA TYR A1525 24.688 -8.427 -17.408 1.00 54.12 C +ATOM 3 C TYR A1525 24.166 -9.837 -17.038 1.00 54.22 C +ATOM 4 O TYR A1525 23.451 -10.458 -17.830 1.00 54.13 O +ATOM 5 CB TYR A1525 26.182 -8.424 -17.749 1.00 53.70 C +ATOM 6 CG TYR A1525 26.670 -9.493 -18.715 1.00 52.76 C +ATOM 7 CD1 TYR A1525 26.520 -9.352 -20.100 1.00 50.72 C +ATOM 8 CD2 TYR A1525 27.325 -10.632 -18.231 1.00 50.06 C +ATOM 9 CE1 TYR A1525 27.008 -10.338 -20.983 1.00 51.61 C +ATOM 10 CE2 TYR A1525 27.794 -11.619 -19.082 1.00 50.76 C +ATOM 11 CZ TYR A1525 27.636 -11.476 -20.463 1.00 50.44 C +ATOM 12 OH TYR A1525 28.110 -12.484 -21.277 1.00 48.42 O +ATOM 13 N PHE A1526 24.519 -10.314 -15.839 1.00 54.22 N +ATOM 14 CA PHE A1526 23.965 -11.569 -15.291 1.00 54.52 C +ATOM 15 C PHE A1526 22.514 -11.371 -14.812 1.00 55.05 C +ATOM 16 O PHE A1526 22.195 -10.311 -14.267 1.00 54.89 O +ATOM 17 CB PHE A1526 24.825 -12.089 -14.135 1.00 54.01 C +ATOM 18 CG PHE A1526 26.263 -12.332 -14.518 1.00 54.98 C +ATOM 19 CD1 PHE A1526 26.600 -13.357 -15.406 1.00 53.18 C +ATOM 20 CD2 PHE A1526 27.279 -11.520 -14.016 1.00 54.91 C +ATOM 21 CE1 PHE A1526 27.915 -13.568 -15.771 1.00 53.89 C +ATOM 22 CE2 PHE A1526 28.606 -11.742 -14.384 1.00 53.77 C +ATOM 23 CZ PHE A1526 28.913 -12.761 -15.251 1.00 52.54 C +ATOM 24 N GLN A1527 21.664 -12.392 -15.023 1.00 55.50 N +ATOM 25 CA GLN A1527 20.231 -12.360 -14.657 1.00 56.22 C +ATOM 26 C GLN A1527 19.806 -13.663 -13.979 1.00 56.61 C +ATOM 27 O GLN A1527 18.765 -13.720 -13.303 1.00 57.69 O +ATOM 28 CB GLN A1527 19.364 -12.133 -15.903 1.00 56.59 C +ATOM 29 N GLN A1532 18.706 -8.324 -4.225 1.00 56.76 N +ATOM 30 CA GLN A1532 19.724 -7.331 -4.581 1.00 56.43 C +ATOM 31 C GLN A1532 19.336 -5.935 -4.033 1.00 55.85 C +ATOM 32 O GLN A1532 19.069 -5.012 -4.811 1.00 55.85 O +ATOM 33 CB GLN A1532 19.888 -7.290 -6.108 1.00 56.40 C +ATOM 34 N PRO A1533 19.356 -5.766 -2.696 1.00 54.67 N +ATOM 35 CA PRO A1533 18.591 -4.705 -2.047 1.00 53.73 C +ATOM 36 C PRO A1533 19.165 -3.302 -2.305 1.00 51.99 C +ATOM 37 O PRO A1533 20.387 -3.121 -2.306 1.00 51.60 O +ATOM 38 CB PRO A1533 18.706 -5.061 -0.563 1.00 53.89 C +ATOM 39 CG PRO A1533 20.047 -5.741 -0.442 1.00 54.96 C +ATOM 40 CD PRO A1533 20.461 -6.221 -1.831 1.00 55.11 C +ATOM 41 N SER A1534 18.278 -2.335 -2.525 1.00 50.25 N +ATOM 42 CA SER A1534 18.686 -0.949 -2.751 1.00 48.83 C +ATOM 43 C SER A1534 17.648 0.067 -2.266 1.00 46.81 C +ATOM 44 O SER A1534 16.529 -0.277 -1.872 1.00 47.02 O +ATOM 45 CB SER A1534 19.010 -0.707 -4.227 1.00 49.02 C +ATOM 46 OG SER A1534 17.828 -0.592 -4.995 1.00 50.75 O +ATOM 47 N LEU A1535 18.078 1.326 -2.256 1.00 42.95 N +ATOM 48 CA LEU A1535 17.231 2.450 -1.963 1.00 40.15 C +ATOM 49 C LEU A1535 17.442 3.446 -3.101 1.00 37.21 C +ATOM 50 O LEU A1535 18.571 3.750 -3.454 1.00 33.72 O +ATOM 51 CB LEU A1535 17.625 3.102 -0.657 1.00 40.41 C +ATOM 52 CG LEU A1535 17.425 2.275 0.616 1.00 44.01 C +ATOM 53 CD1 LEU A1535 17.830 3.142 1.828 1.00 46.06 C +ATOM 54 CD2 LEU A1535 15.968 1.760 0.693 1.00 47.46 C +ATOM 55 N HIS A1536 16.336 3.880 -3.673 1.00 34.00 N +ATOM 56 CA HIS A1536 16.307 4.870 -4.716 1.00 32.82 C +ATOM 57 C HIS A1536 15.356 5.970 -4.251 1.00 29.76 C +ATOM 58 O HIS A1536 14.144 5.737 -4.104 1.00 28.72 O +ATOM 59 CB HIS A1536 15.833 4.180 -6.000 1.00 33.79 C +ATOM 60 CG HIS A1536 15.628 5.094 -7.163 1.00 37.55 C +ATOM 61 ND1 HIS A1536 16.604 5.328 -8.108 1.00 40.78 N +ATOM 62 CD2 HIS A1536 14.535 5.786 -7.575 1.00 43.54 C +ATOM 63 CE1 HIS A1536 16.133 6.141 -9.037 1.00 43.65 C +ATOM 64 NE2 HIS A1536 14.883 6.446 -8.731 1.00 44.27 N +ATOM 65 N TYR A1537 15.879 7.170 -3.976 1.00 26.30 N +ATOM 66 CA TYR A1537 15.048 8.273 -3.479 1.00 24.32 C +ATOM 67 C TYR A1537 15.458 9.576 -4.115 1.00 24.67 C +ATOM 68 O TYR A1537 16.653 9.833 -4.284 1.00 25.49 O +ATOM 69 CB TYR A1537 15.191 8.458 -1.960 1.00 26.03 C +ATOM 70 CG TYR A1537 14.524 7.360 -1.141 1.00 27.14 C +ATOM 71 CD1 TYR A1537 13.146 7.222 -1.172 1.00 32.65 C +ATOM 72 CD2 TYR A1537 15.256 6.472 -0.371 1.00 34.23 C +ATOM 73 CE1 TYR A1537 12.483 6.215 -0.439 1.00 37.65 C +ATOM 74 CE2 TYR A1537 14.592 5.451 0.397 1.00 34.73 C +ATOM 75 CZ TYR A1537 13.210 5.350 0.360 1.00 38.58 C +ATOM 76 OH TYR A1537 12.507 4.360 1.084 1.00 42.41 O +ATOM 77 N THR A1538 14.488 10.439 -4.377 1.00 23.20 N +ATOM 78 CA THR A1538 14.828 11.793 -4.793 1.00 22.35 C +ATOM 79 C THR A1538 15.177 12.591 -3.544 1.00 21.42 C +ATOM 80 O THR A1538 14.816 12.218 -2.428 1.00 21.08 O +ATOM 81 CB THR A1538 13.658 12.483 -5.533 1.00 20.92 C +ATOM 82 OG1 THR A1538 12.607 12.780 -4.600 1.00 20.58 O +ATOM 83 CG2 THR A1538 13.128 11.604 -6.711 1.00 24.19 C +ATOM 84 N ALA A1539 15.849 13.725 -3.739 1.00 21.21 N +ATOM 85 CA ALA A1539 16.068 14.675 -2.682 1.00 20.30 C +ATOM 86 C ALA A1539 14.774 15.097 -2.019 1.00 20.79 C +ATOM 87 O ALA A1539 14.718 15.332 -0.836 1.00 19.03 O +ATOM 88 CB ALA A1539 16.842 15.930 -3.243 1.00 20.42 C +ATOM 89 N ALA A1540 13.690 15.209 -2.794 1.00 20.69 N +ATOM 90 CA ALA A1540 12.447 15.641 -2.244 1.00 20.70 C +ATOM 91 C ALA A1540 11.898 14.570 -1.311 1.00 20.27 C +ATOM 92 O ALA A1540 11.308 14.890 -0.279 1.00 21.76 O +ATOM 93 CB ALA A1540 11.445 15.967 -3.367 1.00 21.52 C +ATOM 94 N GLN A1541 12.044 13.314 -1.691 1.00 20.57 N +ATOM 95 CA GLN A1541 11.611 12.213 -0.812 1.00 20.97 C +ATOM 96 C GLN A1541 12.439 12.177 0.462 1.00 20.15 C +ATOM 97 O GLN A1541 11.909 12.009 1.560 1.00 21.17 O +ATOM 98 CB GLN A1541 11.703 10.888 -1.543 1.00 21.61 C +ATOM 99 CG GLN A1541 10.660 10.739 -2.653 1.00 23.71 C +ATOM 100 CD GLN A1541 10.883 9.502 -3.455 1.00 27.60 C +ATOM 101 OE1 GLN A1541 11.958 9.259 -3.979 1.00 22.81 O +ATOM 102 NE2 GLN A1541 9.839 8.652 -3.527 1.00 35.36 N +ATOM 103 N LEU A1542 13.738 12.369 0.330 1.00 20.26 N +ATOM 104 CA LEU A1542 14.602 12.414 1.530 1.00 21.15 C +ATOM 105 C LEU A1542 14.307 13.615 2.451 1.00 21.67 C +ATOM 106 O LEU A1542 14.355 13.530 3.687 1.00 20.57 O +ATOM 107 CB LEU A1542 16.043 12.391 1.096 1.00 19.83 C +ATOM 108 CG LEU A1542 16.546 11.121 0.443 1.00 23.64 C +ATOM 109 CD1 LEU A1542 18.038 11.312 0.317 1.00 21.89 C +ATOM 110 CD2 LEU A1542 16.223 9.900 1.253 1.00 23.29 C +ATOM 111 N LEU A1543 13.901 14.727 1.858 1.00 21.46 N +ATOM 112 CA LEU A1543 13.453 15.878 2.673 1.00 22.71 C +ATOM 113 C LEU A1543 12.227 15.555 3.459 1.00 22.57 C +ATOM 114 O LEU A1543 12.122 15.835 4.645 1.00 21.41 O +ATOM 115 CB LEU A1543 13.203 17.109 1.771 1.00 21.83 C +ATOM 116 CG LEU A1543 12.790 18.374 2.509 1.00 24.11 C +ATOM 117 CD1 LEU A1543 14.056 18.950 3.236 1.00 24.74 C +ATOM 118 CD2 LEU A1543 12.168 19.427 1.566 1.00 25.37 C +ATOM 119 N GLU A1544 11.270 14.922 2.788 1.00 23.85 N +ATOM 120 CA GLU A1544 10.026 14.608 3.403 1.00 24.75 C +ATOM 121 C GLU A1544 10.252 13.655 4.558 1.00 24.94 C +ATOM 122 O GLU A1544 9.529 13.706 5.550 1.00 23.82 O +ATOM 123 CB GLU A1544 9.065 14.038 2.353 1.00 26.26 C +ATOM 124 CG GLU A1544 7.624 13.979 2.771 1.00 29.14 C +ATOM 125 CD GLU A1544 7.323 12.749 3.603 1.00 32.86 C +ATOM 126 OE1 GLU A1544 8.021 11.729 3.396 1.00 34.07 O +ATOM 127 OE2 GLU A1544 6.436 12.836 4.480 1.00 35.07 O +ATOM 128 N LYS A1545 11.269 12.801 4.436 1.00 23.75 N +ATOM 129 CA LYS A1545 11.596 11.840 5.488 1.00 25.19 C +ATOM 130 C LYS A1545 12.441 12.460 6.611 1.00 24.62 C +ATOM 131 O LYS A1545 12.623 11.862 7.663 1.00 26.12 O +ATOM 132 CB LYS A1545 12.320 10.632 4.872 1.00 25.91 C +ATOM 133 CG LYS A1545 11.403 9.773 3.993 1.00 29.94 C +ATOM 134 CD LYS A1545 12.198 8.696 3.249 1.00 35.53 C +ATOM 135 CE LYS A1545 11.287 7.963 2.257 1.00 38.74 C +ATOM 136 NZ LYS A1545 10.210 7.181 2.911 1.00 41.53 N +ATOM 137 N GLY A1546 12.952 13.657 6.405 1.00 23.76 N +ATOM 138 CA GLY A1546 13.781 14.297 7.407 1.00 23.74 C +ATOM 139 C GLY A1546 15.242 13.901 7.313 1.00 22.39 C +ATOM 140 O GLY A1546 16.055 14.419 8.077 1.00 22.74 O +ATOM 141 N VAL A1547 15.572 13.052 6.342 1.00 21.27 N +ATOM 142 CA VAL A1547 16.955 12.651 6.054 1.00 21.88 C +ATOM 143 C VAL A1547 17.752 13.760 5.407 1.00 22.36 C +ATOM 144 O VAL A1547 18.890 13.994 5.787 1.00 22.20 O +ATOM 145 CB VAL A1547 17.006 11.351 5.175 1.00 22.47 C +ATOM 146 CG1 VAL A1547 18.440 10.985 4.784 1.00 21.70 C +ATOM 147 CG2 VAL A1547 16.338 10.168 5.896 1.00 22.57 C +ATOM 148 N LEU A1548 17.171 14.478 4.437 1.00 21.32 N +ATOM 149 CA LEU A1548 17.850 15.601 3.810 1.00 22.16 C +ATOM 150 C LEU A1548 17.459 16.866 4.522 1.00 23.00 C +ATOM 151 O LEU A1548 16.287 17.030 4.853 1.00 24.64 O +ATOM 152 CB LEU A1548 17.473 15.728 2.333 1.00 23.00 C +ATOM 153 CG LEU A1548 18.206 16.805 1.544 1.00 23.61 C +ATOM 154 CD1 LEU A1548 19.704 16.600 1.482 1.00 24.90 C +ATOM 155 CD2 LEU A1548 17.629 16.877 0.101 1.00 28.02 C +ATOM 156 N VAL A1549 18.443 17.726 4.787 1.00 22.86 N +ATOM 157 CA VAL A1549 18.241 18.998 5.504 1.00 24.83 C +ATOM 158 C VAL A1549 18.244 20.161 4.531 1.00 25.24 C +ATOM 159 O VAL A1549 17.341 21.036 4.583 1.00 25.46 O +ATOM 160 CB VAL A1549 19.356 19.195 6.575 1.00 25.80 C +ATOM 161 CG1 VAL A1549 19.319 20.614 7.159 1.00 28.16 C +ATOM 162 CG2 VAL A1549 19.171 18.150 7.656 1.00 28.03 C +ATOM 163 N GLU A1550 19.229 20.167 3.651 1.00 25.60 N +ATOM 164 CA GLU A1550 19.419 21.218 2.652 1.00 27.91 C +ATOM 165 C GLU A1550 20.350 20.789 1.554 1.00 26.82 C +ATOM 166 O GLU A1550 21.173 19.863 1.719 1.00 26.29 O +ATOM 167 CB GLU A1550 19.967 22.516 3.278 1.00 29.89 C +ATOM 168 CG GLU A1550 21.420 22.496 3.620 1.00 35.60 C +ATOM 169 CD GLU A1550 21.979 23.892 4.083 1.00 42.05 C +ATOM 170 OE1 GLU A1550 21.238 24.626 4.762 1.00 44.80 O +ATOM 171 OE2 GLU A1550 23.158 24.229 3.764 1.00 43.40 O +ATOM 172 N ILE A1551 20.252 21.467 0.409 1.00 25.59 N +ATOM 173 CA ILE A1551 21.264 21.369 -0.614 1.00 26.39 C +ATOM 174 C ILE A1551 21.650 22.808 -0.912 1.00 29.10 C +ATOM 175 O ILE A1551 20.855 23.603 -1.443 1.00 27.92 O +ATOM 176 CB ILE A1551 20.831 20.637 -1.912 1.00 25.73 C +ATOM 177 CG1 ILE A1551 20.337 19.198 -1.612 1.00 25.94 C +ATOM 178 CG2 ILE A1551 21.986 20.605 -2.857 1.00 26.70 C +ATOM 179 CD1 ILE A1551 19.826 18.414 -2.840 1.00 22.99 C +ATOM 180 N GLU A1552 22.860 23.168 -0.516 1.00 31.15 N +ATOM 181 CA GLU A1552 23.297 24.545 -0.658 1.00 33.80 C +ATOM 182 C GLU A1552 23.241 24.974 -2.132 1.00 33.21 C +ATOM 183 O GLU A1552 23.646 24.224 -3.001 1.00 32.75 O +ATOM 184 CB GLU A1552 24.721 24.687 -0.096 1.00 35.32 C +ATOM 185 CG GLU A1552 24.970 26.033 0.474 1.00 39.75 C +ATOM 186 CD GLU A1552 26.453 26.283 0.749 1.00 45.97 C +ATOM 187 OE1 GLU A1552 27.297 25.336 0.601 1.00 46.13 O +ATOM 188 OE2 GLU A1552 26.749 27.454 1.085 1.00 50.67 O +ATOM 189 N ASP A1553 22.701 26.163 -2.392 1.00 34.30 N +ATOM 190 CA ASP A1553 22.586 26.724 -3.756 1.00 35.36 C +ATOM 191 C ASP A1553 21.659 25.929 -4.682 1.00 35.00 C +ATOM 192 O ASP A1553 21.799 26.021 -5.902 1.00 35.85 O +ATOM 193 CB ASP A1553 23.951 26.829 -4.455 1.00 36.06 C +ATOM 194 CG ASP A1553 24.939 27.694 -3.688 1.00 40.35 C +ATOM 195 OD1 ASP A1553 24.523 28.765 -3.207 1.00 44.58 O +ATOM 196 OD2 ASP A1553 26.107 27.263 -3.536 1.00 45.74 O +ATOM 197 N LEU A1554 20.750 25.117 -4.130 1.00 32.88 N +ATOM 198 CA LEU A1554 19.763 24.462 -4.984 1.00 31.90 C +ATOM 199 C LEU A1554 18.411 24.769 -4.383 1.00 32.40 C +ATOM 200 O LEU A1554 18.131 24.366 -3.254 1.00 32.31 O +ATOM 201 CB LEU A1554 19.952 22.941 -5.074 1.00 31.38 C +ATOM 202 CG LEU A1554 19.157 22.238 -6.189 1.00 30.71 C +ATOM 203 CD1 LEU A1554 19.553 22.681 -7.592 1.00 30.05 C +ATOM 204 CD2 LEU A1554 19.312 20.731 -6.072 1.00 29.11 C +ATOM 205 N PRO A1555 17.570 25.476 -5.141 1.00 32.61 N +ATOM 206 CA PRO A1555 16.202 25.698 -4.702 1.00 32.23 C +ATOM 207 C PRO A1555 15.446 24.356 -4.493 1.00 30.46 C +ATOM 208 O PRO A1555 15.646 23.410 -5.223 1.00 29.42 O +ATOM 209 CB PRO A1555 15.593 26.507 -5.862 1.00 32.84 C +ATOM 210 CG PRO A1555 16.849 27.238 -6.496 1.00 34.98 C +ATOM 211 CD PRO A1555 17.848 26.104 -6.449 1.00 32.94 C +ATOM 212 N ALA A1556 14.618 24.321 -3.465 1.00 29.65 N +ATOM 213 CA ALA A1556 13.747 23.196 -3.147 1.00 29.89 C +ATOM 214 C ALA A1556 12.998 22.627 -4.350 1.00 28.79 C +ATOM 215 O ALA A1556 12.814 21.419 -4.469 1.00 26.41 O +ATOM 216 CB ALA A1556 12.733 23.640 -2.035 1.00 29.92 C +ATOM 217 N SER A1557 12.598 23.498 -5.284 1.00 28.51 N +ATOM 218 CA SER A1557 11.818 23.098 -6.443 1.00 28.53 C +ATOM 219 C SER A1557 12.555 22.142 -7.365 1.00 27.96 C +ATOM 220 O SER A1557 11.969 21.453 -8.166 1.00 27.59 O +ATOM 221 CB SER A1557 11.430 24.351 -7.246 1.00 30.37 C +ATOM 222 OG SER A1557 12.613 24.912 -7.825 1.00 31.27 O +ATOM 223 N HIS A1558 13.870 22.071 -7.226 1.00 26.86 N +ATOM 224 CA HIS A1558 14.657 21.168 -8.007 1.00 27.43 C +ATOM 225 C HIS A1558 14.941 19.827 -7.310 1.00 26.05 C +ATOM 226 O HIS A1558 15.595 18.969 -7.885 1.00 26.04 O +ATOM 227 CB HIS A1558 15.984 21.859 -8.334 1.00 29.22 C +ATOM 228 CG HIS A1558 15.827 23.012 -9.277 1.00 34.87 C +ATOM 229 ND1 HIS A1558 15.690 22.838 -10.636 1.00 40.05 N +ATOM 230 CD2 HIS A1558 15.769 24.351 -9.057 1.00 42.53 C +ATOM 231 CE1 HIS A1558 15.547 24.021 -11.219 1.00 42.84 C +ATOM 232 NE2 HIS A1558 15.596 24.957 -10.284 1.00 43.39 N +ATOM 233 N PHE A1559 14.476 19.664 -6.092 1.00 27.15 N +ATOM 234 CA PHE A1559 14.821 18.455 -5.297 1.00 26.85 C +ATOM 235 C PHE A1559 14.266 17.184 -5.932 1.00 27.58 C +ATOM 236 O PHE A1559 14.855 16.121 -5.781 1.00 27.36 O +ATOM 237 CB PHE A1559 14.317 18.574 -3.857 1.00 25.92 C +ATOM 238 CG PHE A1559 15.156 19.483 -2.959 1.00 25.47 C +ATOM 239 CD1 PHE A1559 16.091 20.377 -3.496 1.00 27.95 C +ATOM 240 CD2 PHE A1559 14.946 19.495 -1.608 1.00 27.93 C +ATOM 241 CE1 PHE A1559 16.835 21.210 -2.674 1.00 27.32 C +ATOM 242 CE2 PHE A1559 15.698 20.321 -0.776 1.00 29.37 C +ATOM 243 CZ PHE A1559 16.645 21.194 -1.356 1.00 28.85 C +ATOM 244 N ARG A1560 13.140 17.288 -6.646 1.00 27.59 N +ATOM 245 CA AARG A1560 12.603 16.147 -7.396 0.50 28.10 C +ATOM 246 CA BARG A1560 12.600 16.156 -7.396 0.50 28.33 C +ATOM 247 C ARG A1560 13.584 15.642 -8.448 1.00 28.50 C +ATOM 248 O ARG A1560 13.534 14.498 -8.841 1.00 28.77 O +ATOM 249 CB AARG A1560 11.248 16.480 -8.059 0.50 28.89 C +ATOM 250 CB BARG A1560 11.256 16.532 -8.053 0.50 29.31 C +ATOM 251 CG AARG A1560 10.066 16.645 -7.083 0.50 29.68 C +ATOM 252 CG BARG A1560 10.162 16.997 -7.066 0.50 31.06 C +ATOM 253 CD AARG A1560 8.740 16.972 -7.820 0.50 30.47 C +ATOM 254 CD BARG A1560 9.138 17.953 -7.750 0.50 33.90 C +ATOM 255 NE AARG A1560 7.977 15.764 -8.019 0.50 34.08 N +ATOM 256 NE BARG A1560 8.830 19.178 -6.988 0.50 34.08 N +ATOM 257 CZ AARG A1560 7.109 15.557 -9.002 0.50 35.09 C +ATOM 258 CZ BARG A1560 8.820 20.399 -7.525 0.50 38.40 C +ATOM 259 NH1AARG A1560 6.884 16.496 -9.915 0.50 34.12 N +ATOM 260 NH1BARG A1560 8.502 21.475 -6.789 0.50 37.58 N +ATOM 261 NH2AARG A1560 6.473 14.398 -9.055 0.50 35.22 N +ATOM 262 NH2BARG A1560 9.122 20.550 -8.821 0.50 37.96 N +ATOM 263 N ASN A1561 14.501 16.492 -8.890 1.00 27.73 N +ATOM 264 CA ASN A1561 15.417 16.134 -9.949 1.00 28.93 C +ATOM 265 C ASN A1561 16.819 15.883 -9.421 1.00 28.12 C +ATOM 266 O ASN A1561 17.800 16.004 -10.153 1.00 28.65 O +ATOM 267 CB ASN A1561 15.462 17.276 -10.983 1.00 29.45 C +ATOM 268 CG ASN A1561 14.098 17.553 -11.584 1.00 35.61 C +ATOM 269 OD1 ASN A1561 13.563 18.672 -11.467 1.00 43.99 O +ATOM 270 ND2 ASN A1561 13.512 16.532 -12.212 1.00 36.75 N +ATOM 271 N VAL A1562 16.920 15.506 -8.150 1.00 25.42 N +ATOM 272 CA VAL A1562 18.193 15.044 -7.610 1.00 24.69 C +ATOM 273 C VAL A1562 17.864 13.638 -7.130 1.00 24.54 C +ATOM 274 O VAL A1562 16.935 13.480 -6.342 1.00 22.99 O +ATOM 275 CB VAL A1562 18.647 15.906 -6.420 1.00 23.00 C +ATOM 276 CG1 VAL A1562 19.828 15.280 -5.689 1.00 23.07 C +ATOM 277 CG2 VAL A1562 19.003 17.319 -6.877 1.00 25.77 C +ATOM 278 N ILE A1563 18.607 12.646 -7.579 1.00 24.83 N +ATOM 279 CA ILE A1563 18.272 11.259 -7.296 1.00 26.73 C +ATOM 280 C ILE A1563 19.442 10.572 -6.627 1.00 26.81 C +ATOM 281 O ILE A1563 20.601 10.661 -7.114 1.00 25.99 O +ATOM 282 CB ILE A1563 17.874 10.504 -8.597 1.00 28.55 C +ATOM 283 CG1 ILE A1563 16.598 11.121 -9.182 1.00 32.76 C +ATOM 284 CG2 ILE A1563 17.664 9.008 -8.326 1.00 31.01 C +ATOM 285 CD1 ILE A1563 16.870 12.124 -10.306 1.00 39.01 C +ATOM 286 N PHE A1564 19.147 9.924 -5.485 1.00 26.79 N +ATOM 287 CA PHE A1564 20.123 9.114 -4.742 1.00 26.51 C +ATOM 288 C PHE A1564 19.838 7.635 -4.856 1.00 27.31 C +ATOM 289 O PHE A1564 18.672 7.242 -4.759 1.00 28.42 O +ATOM 290 CB PHE A1564 20.057 9.486 -3.271 1.00 27.43 C +ATOM 291 CG PHE A1564 20.446 10.888 -3.008 1.00 26.96 C +ATOM 292 CD1 PHE A1564 21.799 11.225 -2.904 1.00 30.61 C +ATOM 293 CD2 PHE A1564 19.489 11.871 -2.884 1.00 27.87 C +ATOM 294 CE1 PHE A1564 22.177 12.517 -2.656 1.00 27.47 C +ATOM 295 CE2 PHE A1564 19.858 13.183 -2.663 1.00 27.70 C +ATOM 296 CZ PHE A1564 21.210 13.506 -2.576 1.00 27.36 C +ATOM 297 N ASP A1565 20.872 6.821 -5.060 1.00 26.95 N +ATOM 298 CA ASP A1565 20.739 5.377 -5.064 1.00 28.46 C +ATOM 299 C ASP A1565 21.773 4.844 -4.099 1.00 27.83 C +ATOM 300 O ASP A1565 22.965 5.117 -4.280 1.00 28.12 O +ATOM 301 CB ASP A1565 21.026 4.775 -6.435 1.00 29.18 C +ATOM 302 CG ASP A1565 19.875 5.007 -7.432 1.00 35.70 C +ATOM 303 OD1 ASP A1565 18.804 4.344 -7.296 1.00 38.07 O +ATOM 304 OD2 ASP A1565 20.053 5.857 -8.342 1.00 39.71 O +ATOM 305 N ILE A1566 21.319 4.061 -3.127 1.00 26.50 N +ATOM 306 CA ILE A1566 22.177 3.536 -2.073 1.00 26.16 C +ATOM 307 C ILE A1566 22.117 2.015 -2.107 1.00 25.52 C +ATOM 308 O ILE A1566 21.037 1.442 -2.149 1.00 25.38 O +ATOM 309 CB ILE A1566 21.765 4.051 -0.674 1.00 26.73 C +ATOM 310 CG1 ILE A1566 21.694 5.569 -0.663 1.00 28.63 C +ATOM 311 CG2 ILE A1566 22.782 3.619 0.380 1.00 24.67 C +ATOM 312 CD1 ILE A1566 21.730 6.181 0.788 1.00 35.87 C +ATOM 313 N THR A1567 23.277 1.394 -2.157 1.00 26.32 N +ATOM 314 CA THR A1567 23.389 -0.059 -2.203 1.00 27.49 C +ATOM 315 C THR A1567 24.429 -0.504 -1.200 1.00 26.80 C +ATOM 316 O THR A1567 25.323 0.253 -0.862 1.00 25.77 O +ATOM 317 CB THR A1567 23.816 -0.533 -3.620 1.00 27.99 C +ATOM 318 OG1 THR A1567 24.956 0.232 -4.017 1.00 29.27 O +ATOM 319 CG2 THR A1567 22.701 -0.317 -4.631 1.00 29.00 C +ATOM 320 N PRO A1568 24.338 -1.768 -0.729 1.00 28.87 N +ATOM 321 CA PRO A1568 25.362 -2.267 0.171 1.00 28.58 C +ATOM 322 C PRO A1568 26.686 -2.373 -0.543 1.00 28.92 C +ATOM 323 O PRO A1568 26.730 -2.724 -1.750 1.00 28.94 O +ATOM 324 CB PRO A1568 24.822 -3.675 0.589 1.00 29.49 C +ATOM 325 CG PRO A1568 23.399 -3.668 0.178 1.00 30.78 C +ATOM 326 CD PRO A1568 23.359 -2.823 -1.058 1.00 28.08 C +ATOM 327 N GLY A1569 27.753 -2.034 0.165 1.00 29.04 N +ATOM 328 CA GLY A1569 29.092 -2.025 -0.374 1.00 30.17 C +ATOM 329 C GLY A1569 29.761 -3.367 -0.158 1.00 31.04 C +ATOM 330 O GLY A1569 29.112 -4.346 0.241 1.00 29.88 O +ATOM 331 N ASP A1570 31.081 -3.340 -0.270 1.00 32.17 N +ATOM 332 CA ASP A1570 31.878 -4.543 -0.320 1.00 34.10 C +ATOM 333 C ASP A1570 32.553 -4.870 1.029 1.00 33.44 C +ATOM 334 O ASP A1570 33.505 -5.626 1.087 1.00 33.08 O +ATOM 335 CB ASP A1570 32.890 -4.400 -1.487 1.00 35.64 C +ATOM 336 CG ASP A1570 34.019 -3.439 -1.205 1.00 38.95 C +ATOM 337 OD1 ASP A1570 34.031 -2.689 -0.203 1.00 46.67 O +ATOM 338 OD2 ASP A1570 34.970 -3.444 -2.026 1.00 49.85 O +ATOM 339 N GLU A1571 32.013 -4.304 2.111 1.00 31.43 N +ATOM 340 CA GLU A1571 32.473 -4.534 3.462 1.00 30.25 C +ATOM 341 C GLU A1571 31.258 -4.365 4.368 1.00 27.83 C +ATOM 342 O GLU A1571 30.291 -3.704 3.994 1.00 24.61 O +ATOM 343 CB GLU A1571 33.499 -3.498 3.909 1.00 31.00 C +ATOM 344 CG GLU A1571 34.829 -3.498 3.158 1.00 37.29 C +ATOM 345 CD GLU A1571 35.797 -2.455 3.678 1.00 42.25 C +ATOM 346 OE1 GLU A1571 35.376 -1.452 4.324 1.00 48.00 O +ATOM 347 OE2 GLU A1571 37.010 -2.654 3.451 1.00 49.51 O +ATOM 348 N ALA A1572 31.347 -4.963 5.556 1.00 25.62 N +ATOM 349 CA ALA A1572 30.328 -4.818 6.590 1.00 24.52 C +ATOM 350 C ALA A1572 30.135 -3.356 6.914 1.00 23.42 C +ATOM 351 O ALA A1572 31.124 -2.645 7.188 1.00 22.74 O +ATOM 352 CB ALA A1572 30.798 -5.571 7.911 1.00 23.76 C +ATOM 353 N GLY A1573 28.886 -2.900 6.943 1.00 22.14 N +ATOM 354 CA GLY A1573 28.595 -1.530 7.362 1.00 22.41 C +ATOM 355 C GLY A1573 28.860 -0.480 6.264 1.00 23.09 C +ATOM 356 O GLY A1573 28.658 0.699 6.495 1.00 23.68 O +ATOM 357 N LYS A1574 29.266 -0.920 5.078 1.00 21.90 N +ATOM 358 CA LYS A1574 29.646 0.019 3.999 1.00 22.64 C +ATOM 359 C LYS A1574 28.501 0.104 3.011 1.00 22.63 C +ATOM 360 O LYS A1574 27.912 -0.910 2.645 1.00 22.94 O +ATOM 361 CB LYS A1574 30.907 -0.443 3.294 1.00 23.61 C +ATOM 362 CG LYS A1574 31.421 0.484 2.188 1.00 27.21 C +ATOM 363 CD LYS A1574 32.793 -0.061 1.767 1.00 31.40 C +ATOM 364 CE LYS A1574 33.570 0.853 0.853 1.00 35.59 C +ATOM 365 NZ LYS A1574 34.824 0.124 0.458 1.00 36.69 N +ATOM 366 N PHE A1575 28.178 1.322 2.588 1.00 22.61 N +ATOM 367 CA PHE A1575 27.129 1.559 1.603 1.00 23.71 C +ATOM 368 C PHE A1575 27.674 2.467 0.522 1.00 26.38 C +ATOM 369 O PHE A1575 28.451 3.383 0.814 1.00 27.90 O +ATOM 370 CB PHE A1575 25.933 2.230 2.224 1.00 23.42 C +ATOM 371 CG PHE A1575 25.334 1.430 3.317 1.00 24.89 C +ATOM 372 CD1 PHE A1575 24.339 0.520 3.059 1.00 27.97 C +ATOM 373 CD2 PHE A1575 25.810 1.551 4.600 1.00 25.59 C +ATOM 374 CE1 PHE A1575 23.782 -0.239 4.088 1.00 32.68 C +ATOM 375 CE2 PHE A1575 25.245 0.782 5.646 1.00 24.83 C +ATOM 376 CZ PHE A1575 24.257 -0.109 5.386 1.00 30.19 C +ATOM 377 N GLU A1576 27.326 2.140 -0.714 1.00 26.84 N +ATOM 378 CA GLU A1576 27.787 2.893 -1.853 1.00 28.07 C +ATOM 379 C GLU A1576 26.652 3.828 -2.210 1.00 26.54 C +ATOM 380 O GLU A1576 25.512 3.392 -2.350 1.00 24.74 O +ATOM 381 CB GLU A1576 28.110 1.922 -2.980 1.00 28.63 C +ATOM 382 CG GLU A1576 28.704 2.575 -4.182 1.00 37.02 C +ATOM 383 CD GLU A1576 29.335 1.529 -5.100 1.00 43.74 C +ATOM 384 OE1 GLU A1576 30.482 1.116 -4.805 1.00 48.64 O +ATOM 385 OE2 GLU A1576 28.656 1.101 -6.068 1.00 50.41 O +ATOM 386 N VAL A1577 26.954 5.123 -2.267 1.00 27.00 N +ATOM 387 CA VAL A1577 25.963 6.135 -2.598 1.00 26.87 C +ATOM 388 C VAL A1577 26.306 6.672 -3.977 1.00 27.35 C +ATOM 389 O VAL A1577 27.420 7.121 -4.220 1.00 26.45 O +ATOM 390 CB VAL A1577 25.931 7.300 -1.597 1.00 27.72 C +ATOM 391 CG1 VAL A1577 24.773 8.245 -1.908 1.00 27.36 C +ATOM 392 CG2 VAL A1577 25.779 6.770 -0.173 1.00 29.61 C +ATOM 393 N ASN A1578 25.345 6.567 -4.872 1.00 26.64 N +ATOM 394 CA ASN A1578 25.434 7.135 -6.186 1.00 27.38 C +ATOM 395 C ASN A1578 24.384 8.221 -6.187 1.00 27.55 C +ATOM 396 O ASN A1578 23.427 8.206 -5.356 1.00 27.69 O +ATOM 397 CB ASN A1578 25.145 6.052 -7.229 1.00 27.79 C +ATOM 398 CG ASN A1578 26.342 5.224 -7.518 1.00 31.91 C +ATOM 399 OD1 ASN A1578 27.283 5.701 -8.163 1.00 33.78 O +ATOM 400 ND2 ASN A1578 26.349 3.979 -7.044 1.00 32.37 N +ATOM 401 N ALA A1579 24.570 9.213 -7.058 1.00 25.78 N +ATOM 402 CA ALA A1579 23.618 10.274 -7.175 1.00 25.16 C +ATOM 403 C ALA A1579 23.680 10.879 -8.572 1.00 26.28 C +ATOM 404 O ALA A1579 24.729 10.790 -9.261 1.00 25.05 O +ATOM 405 CB ALA A1579 23.838 11.348 -6.141 1.00 24.25 C +ATOM 406 N LYS A1580 22.562 11.484 -8.958 1.00 26.24 N +ATOM 407 CA LYS A1580 22.466 12.204 -10.241 1.00 26.90 C +ATOM 408 C LYS A1580 21.804 13.500 -9.888 1.00 26.64 C +ATOM 409 O LYS A1580 20.689 13.494 -9.360 1.00 27.99 O +ATOM 410 CB LYS A1580 21.666 11.375 -11.262 1.00 26.75 C +ATOM 411 CG LYS A1580 21.673 11.957 -12.686 1.00 31.42 C +ATOM 412 N PHE A1581 22.524 14.617 -10.014 1.00 26.77 N +ATOM 413 CA PHE A1581 22.001 15.911 -9.657 1.00 26.85 C +ATOM 414 C PHE A1581 21.606 16.622 -10.981 1.00 29.50 C +ATOM 415 O PHE A1581 22.468 16.947 -11.780 1.00 27.01 O +ATOM 416 CB PHE A1581 23.054 16.780 -8.964 1.00 27.79 C +ATOM 417 CG PHE A1581 23.206 16.544 -7.489 1.00 26.52 C +ATOM 418 CD1 PHE A1581 23.019 17.578 -6.585 1.00 29.95 C +ATOM 419 CD2 PHE A1581 23.565 15.299 -7.000 1.00 28.27 C +ATOM 420 CE1 PHE A1581 23.159 17.373 -5.216 1.00 30.45 C +ATOM 421 CE2 PHE A1581 23.725 15.082 -5.597 1.00 28.48 C +ATOM 422 CZ PHE A1581 23.519 16.113 -4.713 1.00 28.45 C +ATOM 423 N LEU A1582 20.323 16.882 -11.186 1.00 30.98 N +ATOM 424 CA LEU A1582 19.897 17.595 -12.397 1.00 33.40 C +ATOM 425 C LEU A1582 20.487 16.975 -13.634 1.00 34.45 C +ATOM 426 O LEU A1582 21.017 17.696 -14.496 1.00 35.99 O +ATOM 427 CB LEU A1582 20.325 19.062 -12.326 1.00 33.45 C +ATOM 428 CG LEU A1582 20.072 19.818 -11.026 1.00 36.13 C +ATOM 429 CD1 LEU A1582 20.372 21.344 -11.101 1.00 37.33 C +ATOM 430 CD2 LEU A1582 18.625 19.584 -10.597 1.00 38.11 C +ATOM 431 N GLY A1583 20.431 15.646 -13.725 1.00 33.66 N +ATOM 432 CA GLY A1583 20.914 14.950 -14.892 1.00 34.48 C +ATOM 433 C GLY A1583 22.400 14.601 -14.933 1.00 33.35 C +ATOM 434 O GLY A1583 22.814 13.828 -15.798 1.00 35.50 O +ATOM 435 N VAL A1584 23.182 15.102 -13.974 1.00 30.61 N +ATOM 436 CA VAL A1584 24.619 14.902 -13.968 1.00 29.09 C +ATOM 437 C VAL A1584 25.023 13.796 -12.983 1.00 27.93 C +ATOM 438 O VAL A1584 24.687 13.901 -11.799 1.00 25.73 O +ATOM 439 CB VAL A1584 25.325 16.207 -13.586 1.00 29.38 C +ATOM 440 CG1 VAL A1584 26.831 16.001 -13.524 1.00 29.20 C +ATOM 441 CG2 VAL A1584 24.951 17.374 -14.603 1.00 32.01 C +ATOM 442 N ASP A1585 25.690 12.768 -13.489 1.00 27.90 N +ATOM 443 CA ASP A1585 26.189 11.647 -12.683 1.00 28.25 C +ATOM 444 C ASP A1585 27.285 12.139 -11.714 1.00 27.44 C +ATOM 445 O ASP A1585 28.257 12.779 -12.122 1.00 25.26 O +ATOM 446 CB ASP A1585 26.739 10.526 -13.571 1.00 30.57 C +ATOM 447 CG ASP A1585 25.639 9.852 -14.487 1.00 36.80 C +ATOM 448 OD1 ASP A1585 24.539 9.525 -13.991 1.00 43.26 O +ATOM 449 OD2 ASP A1585 25.924 9.637 -15.703 1.00 46.34 O +ATOM 450 N MET A1586 27.123 11.827 -10.428 1.00 24.47 N +ATOM 451 CA MET A1586 28.110 12.176 -9.434 1.00 23.99 C +ATOM 452 C MET A1586 29.059 11.025 -9.172 1.00 24.14 C +ATOM 453 O MET A1586 28.767 9.863 -9.469 1.00 24.34 O +ATOM 454 CB MET A1586 27.448 12.601 -8.112 1.00 25.10 C +ATOM 455 CG MET A1586 26.377 13.627 -8.280 1.00 24.78 C +ATOM 456 SD MET A1586 26.961 15.200 -9.001 1.00 26.97 S +ATOM 457 CE MET A1586 27.935 15.860 -7.682 1.00 30.35 C +ATOM 458 N GLU A1587 30.208 11.368 -8.617 1.00 25.49 N +ATOM 459 CA GLU A1587 31.209 10.400 -8.252 1.00 27.88 C +ATOM 460 C GLU A1587 30.650 9.588 -7.074 1.00 28.95 C +ATOM 461 O GLU A1587 30.150 10.166 -6.118 1.00 25.69 O +ATOM 462 CB GLU A1587 32.501 11.109 -7.845 1.00 29.34 C +ATOM 463 CG GLU A1587 33.727 10.246 -7.691 1.00 36.21 C +ATOM 464 CD GLU A1587 34.193 9.545 -8.978 1.00 41.51 C +ATOM 465 OE1 GLU A1587 33.903 10.001 -10.123 1.00 47.10 O +ATOM 466 OE2 GLU A1587 34.886 8.530 -8.830 1.00 44.77 O +ATOM 467 N ARG A1588 30.678 8.278 -7.229 1.00 30.30 N +ATOM 468 CA ARG A1588 30.338 7.326 -6.190 1.00 34.01 C +ATOM 469 C ARG A1588 31.123 7.676 -4.955 1.00 34.59 C +ATOM 470 O ARG A1588 32.300 8.032 -5.055 1.00 35.55 O +ATOM 471 CB ARG A1588 30.832 5.946 -6.607 1.00 35.29 C +ATOM 472 CG ARG A1588 29.867 4.805 -6.576 1.00 40.32 C +ATOM 473 CD ARG A1588 30.449 3.681 -7.498 1.00 46.40 C +ATOM 474 NE ARG A1588 31.778 3.275 -7.021 1.00 51.78 N +ATOM 475 CZ ARG A1588 32.761 2.739 -7.761 1.00 57.47 C +ATOM 476 NH1 ARG A1588 32.607 2.503 -9.063 1.00 59.41 N +ATOM 477 NH2 ARG A1588 33.921 2.424 -7.179 1.00 58.27 N +ATOM 478 N PHE A1589 30.512 7.553 -3.799 1.00 35.27 N +ATOM 479 CA PHE A1589 31.334 7.490 -2.591 1.00 36.68 C +ATOM 480 C PHE A1589 30.705 6.532 -1.556 1.00 35.96 C +ATOM 481 O PHE A1589 29.609 6.014 -1.756 1.00 35.52 O +ATOM 482 CB PHE A1589 31.499 8.860 -1.997 1.00 37.36 C +ATOM 483 CG PHE A1589 30.300 9.314 -1.311 1.00 39.97 C +ATOM 484 CD1 PHE A1589 30.190 9.166 0.064 1.00 42.59 C +ATOM 485 CD2 PHE A1589 29.263 9.844 -2.014 1.00 41.22 C +ATOM 486 CE1 PHE A1589 29.076 9.548 0.704 1.00 44.10 C +ATOM 487 CE2 PHE A1589 28.137 10.247 -1.366 1.00 44.95 C +ATOM 488 CZ PHE A1589 28.037 10.099 -0.011 1.00 45.24 C +ATOM 489 N GLN A1590 31.425 6.359 -0.462 1.00 35.04 N +ATOM 490 CA GLN A1590 31.206 5.251 0.448 1.00 35.16 C +ATOM 491 C GLN A1590 30.827 5.795 1.809 1.00 33.53 C +ATOM 492 O GLN A1590 31.519 6.696 2.326 1.00 34.27 O +ATOM 493 CB GLN A1590 32.461 4.402 0.521 1.00 36.04 C +ATOM 494 CG GLN A1590 32.998 3.851 -0.813 1.00 39.64 C +ATOM 495 CD GLN A1590 32.005 3.023 -1.629 1.00 45.07 C +ATOM 496 OE1 GLN A1590 31.295 2.150 -1.101 1.00 48.21 O +ATOM 497 NE2 GLN A1590 31.973 3.278 -2.945 1.00 46.25 N +ATOM 498 N LEU A1591 29.671 5.347 2.323 1.00 30.45 N +ATOM 499 CA LEU A1591 29.195 5.691 3.665 1.00 29.93 C +ATOM 500 C LEU A1591 29.529 4.466 4.530 1.00 28.42 C +ATOM 501 O LEU A1591 29.282 3.343 4.115 1.00 27.64 O +ATOM 502 CB LEU A1591 27.670 5.890 3.712 1.00 30.26 C +ATOM 503 CG LEU A1591 26.886 7.178 3.459 1.00 35.18 C +ATOM 504 CD1 LEU A1591 25.423 6.857 3.609 1.00 34.34 C +ATOM 505 CD2 LEU A1591 27.282 8.250 4.488 1.00 37.04 C +ATOM 506 N HIS A1592 30.080 4.702 5.713 1.00 27.09 N +ATOM 507 CA HIS A1592 30.334 3.646 6.667 1.00 26.46 C +ATOM 508 C HIS A1592 29.447 3.867 7.885 1.00 24.61 C +ATOM 509 O HIS A1592 29.433 4.944 8.494 1.00 23.97 O +ATOM 510 CB HIS A1592 31.805 3.634 7.041 1.00 27.43 C +ATOM 511 CG HIS A1592 32.691 3.243 5.908 1.00 30.71 C +ATOM 512 ND1 HIS A1592 33.009 1.930 5.640 1.00 32.12 N +ATOM 513 CD2 HIS A1592 33.311 3.987 4.956 1.00 32.48 C +ATOM 514 CE1 HIS A1592 33.819 1.882 4.595 1.00 34.30 C +ATOM 515 NE2 HIS A1592 34.000 3.113 4.147 1.00 33.28 N +ATOM 516 N TYR A1593 28.701 2.833 8.230 1.00 22.64 N +ATOM 517 CA TYR A1593 27.777 2.921 9.332 1.00 22.09 C +ATOM 518 C TYR A1593 28.518 3.344 10.610 1.00 21.36 C +ATOM 519 O TYR A1593 28.015 4.177 11.376 1.00 21.27 O +ATOM 520 CB TYR A1593 27.122 1.574 9.503 1.00 22.62 C +ATOM 521 CG TYR A1593 25.887 1.609 10.335 1.00 24.69 C +ATOM 522 CD1 TYR A1593 24.644 1.918 9.789 1.00 27.54 C +ATOM 523 CD2 TYR A1593 25.972 1.412 11.707 1.00 26.78 C +ATOM 524 CE1 TYR A1593 23.510 1.930 10.584 1.00 26.83 C +ATOM 525 CE2 TYR A1593 24.873 1.456 12.470 1.00 27.51 C +ATOM 526 CZ TYR A1593 23.651 1.689 11.924 1.00 28.80 C +ATOM 527 OH TYR A1593 22.591 1.698 12.787 1.00 33.48 O +ATOM 528 N GLN A1594 29.734 2.830 10.813 1.00 21.75 N +ATOM 529 CA GLN A1594 30.492 3.138 12.037 1.00 22.58 C +ATOM 530 C GLN A1594 30.879 4.618 12.121 1.00 22.68 C +ATOM 531 O GLN A1594 30.877 5.222 13.207 1.00 22.68 O +ATOM 532 CB GLN A1594 31.723 2.264 12.169 1.00 21.61 C +ATOM 533 CG GLN A1594 32.502 2.490 13.502 1.00 25.82 C +ATOM 534 CD GLN A1594 31.719 2.183 14.792 1.00 26.36 C +ATOM 535 OE1 GLN A1594 30.832 1.290 14.831 1.00 26.88 O +ATOM 536 NE2 GLN A1594 32.028 2.948 15.870 1.00 26.81 N +ATOM 537 N ASP A1595 31.128 5.234 10.965 1.00 22.85 N +ATOM 538 CA ASP A1595 31.382 6.685 10.911 1.00 23.49 C +ATOM 539 C ASP A1595 30.128 7.486 11.316 1.00 22.85 C +ATOM 540 O ASP A1595 30.214 8.468 12.050 1.00 23.09 O +ATOM 541 CB ASP A1595 31.880 7.114 9.511 1.00 24.93 C +ATOM 542 CG ASP A1595 33.257 6.580 9.179 1.00 27.06 C +ATOM 543 OD1 ASP A1595 34.025 6.218 10.069 1.00 29.45 O +ATOM 544 OD2 ASP A1595 33.575 6.510 8.001 1.00 30.38 O +ATOM 545 N LEU A1596 28.952 7.080 10.840 1.00 21.26 N +ATOM 546 CA LEU A1596 27.716 7.697 11.247 1.00 21.52 C +ATOM 547 C LEU A1596 27.471 7.528 12.771 1.00 20.60 C +ATOM 548 O LEU A1596 27.035 8.458 13.447 1.00 20.09 O +ATOM 549 CB LEU A1596 26.546 7.080 10.484 1.00 20.88 C +ATOM 550 CG LEU A1596 26.558 7.293 8.969 1.00 25.11 C +ATOM 551 CD1 LEU A1596 25.373 6.536 8.369 1.00 24.51 C +ATOM 552 CD2 LEU A1596 26.494 8.794 8.654 1.00 29.06 C +ATOM 553 N LEU A1597 27.714 6.340 13.289 1.00 20.51 N +ATOM 554 CA LEU A1597 27.603 6.122 14.757 1.00 20.66 C +ATOM 555 C LEU A1597 28.565 7.017 15.504 1.00 20.47 C +ATOM 556 O LEU A1597 28.223 7.533 16.544 1.00 19.82 O +ATOM 557 CB LEU A1597 27.826 4.668 15.146 1.00 20.28 C +ATOM 558 CG LEU A1597 26.801 3.621 14.695 1.00 19.28 C +ATOM 559 CD1 LEU A1597 27.090 2.212 15.284 1.00 19.29 C +ATOM 560 CD2 LEU A1597 25.346 4.078 15.077 1.00 23.50 C +ATOM 561 N GLN A1598 29.762 7.218 14.975 1.00 20.97 N +ATOM 562 CA GLN A1598 30.738 8.091 15.650 1.00 22.33 C +ATOM 563 C GLN A1598 30.240 9.561 15.648 1.00 22.60 C +ATOM 564 O GLN A1598 30.319 10.276 16.639 1.00 22.17 O +ATOM 565 CB GLN A1598 32.090 7.971 14.989 1.00 22.05 C +ATOM 566 CG GLN A1598 33.228 8.848 15.560 1.00 24.08 C +ATOM 567 CD GLN A1598 33.571 8.487 16.963 1.00 28.19 C +ATOM 568 OE1 GLN A1598 33.485 7.308 17.333 1.00 28.75 O +ATOM 569 NE2 GLN A1598 33.978 9.493 17.770 1.00 30.04 N +ATOM 570 N LEU A1599 29.688 10.005 14.521 1.00 23.21 N +ATOM 571 CA LEU A1599 29.086 11.329 14.468 1.00 22.07 C +ATOM 572 C LEU A1599 28.002 11.481 15.495 1.00 23.16 C +ATOM 573 O LEU A1599 27.994 12.464 16.253 1.00 22.96 O +ATOM 574 CB LEU A1599 28.549 11.619 13.069 1.00 23.81 C +ATOM 575 CG LEU A1599 29.645 11.882 12.050 1.00 21.92 C +ATOM 576 CD1 LEU A1599 28.973 12.156 10.644 1.00 21.97 C +ATOM 577 CD2 LEU A1599 30.573 13.075 12.391 1.00 24.37 C +ATOM 578 N GLN A1600 27.115 10.495 15.543 1.00 22.41 N +ATOM 579 CA GLN A1600 25.997 10.518 16.436 1.00 24.71 C +ATOM 580 C GLN A1600 26.478 10.550 17.912 1.00 25.69 C +ATOM 581 O GLN A1600 25.956 11.327 18.736 1.00 26.12 O +ATOM 582 CB GLN A1600 25.100 9.324 16.162 1.00 24.75 C +ATOM 583 CG GLN A1600 23.861 9.254 17.020 1.00 28.00 C +ATOM 584 CD GLN A1600 23.100 7.975 16.816 1.00 30.67 C +ATOM 585 OE1 GLN A1600 23.603 6.894 17.090 1.00 30.21 O +ATOM 586 NE2 GLN A1600 21.857 8.095 16.358 1.00 28.58 N +ATOM 587 N TYR A1601 27.526 9.803 18.174 1.00 26.14 N +ATOM 588 CA TYR A1601 28.100 9.692 19.543 1.00 27.50 C +ATOM 589 C TYR A1601 28.692 11.058 19.975 1.00 28.90 C +ATOM 590 O TYR A1601 28.589 11.478 21.154 1.00 29.10 O +ATOM 591 CB TYR A1601 29.132 8.575 19.555 1.00 27.53 C +ATOM 592 CG TYR A1601 29.760 8.355 20.927 1.00 29.74 C +ATOM 593 CD1 TYR A1601 29.103 7.571 21.876 1.00 34.47 C +ATOM 594 CD2 TYR A1601 30.972 8.965 21.280 1.00 34.67 C +ATOM 595 CE1 TYR A1601 29.652 7.372 23.161 1.00 35.35 C +ATOM 596 CE2 TYR A1601 31.527 8.792 22.578 1.00 36.34 C +ATOM 597 CZ TYR A1601 30.856 7.991 23.493 1.00 37.21 C +ATOM 598 OH TYR A1601 31.368 7.797 24.765 1.00 39.45 O +ATOM 599 N GLU A1602 29.308 11.736 19.008 1.00 28.36 N +ATOM 600 CA GLU A1602 29.926 13.058 19.170 1.00 30.39 C +ATOM 601 C GLU A1602 28.911 14.209 19.229 1.00 30.44 C +ATOM 602 O GLU A1602 29.300 15.355 19.437 1.00 32.02 O +ATOM 603 CB GLU A1602 30.939 13.324 18.034 1.00 30.35 C +ATOM 604 CG GLU A1602 32.226 12.476 18.058 1.00 33.45 C +ATOM 605 CD GLU A1602 33.040 12.513 16.757 1.00 35.77 C +ATOM 606 OE1 GLU A1602 32.543 13.028 15.708 1.00 43.33 O +ATOM 607 OE2 GLU A1602 34.182 12.008 16.736 1.00 37.30 O +ATOM 608 N GLY A1603 27.645 13.903 19.000 1.00 29.48 N +ATOM 609 CA GLY A1603 26.579 14.893 19.025 1.00 29.25 C +ATOM 610 C GLY A1603 26.497 15.718 17.764 1.00 27.32 C +ATOM 611 O GLY A1603 25.962 16.814 17.793 1.00 27.78 O +ATOM 612 N VAL A1604 27.016 15.201 16.653 1.00 26.34 N +ATOM 613 CA VAL A1604 27.006 15.921 15.372 1.00 25.03 C +ATOM 614 C VAL A1604 25.635 15.663 14.686 1.00 24.59 C +ATOM 615 O VAL A1604 25.199 14.518 14.566 1.00 25.89 O +ATOM 616 CB VAL A1604 28.190 15.506 14.483 1.00 24.96 C +ATOM 617 CG1 VAL A1604 28.029 16.121 13.052 1.00 24.66 C +ATOM 618 CG2 VAL A1604 29.560 15.930 15.152 1.00 26.95 C +ATOM 619 N ALA A1605 24.949 16.724 14.279 1.00 23.85 N +ATOM 620 CA ALA A1605 23.610 16.606 13.769 1.00 23.84 C +ATOM 621 C ALA A1605 23.595 16.207 12.320 1.00 24.14 C +ATOM 622 O ALA A1605 22.695 15.519 11.919 1.00 22.73 O +ATOM 623 CB ALA A1605 22.803 17.901 13.898 1.00 25.31 C +ATOM 624 N VAL A1606 24.558 16.701 11.563 1.00 26.38 N +ATOM 625 CA VAL A1606 24.533 16.587 10.114 1.00 28.20 C +ATOM 626 C VAL A1606 25.874 16.160 9.521 1.00 28.85 C +ATOM 627 O VAL A1606 26.956 16.313 10.125 1.00 28.21 O +ATOM 628 CB VAL A1606 24.077 17.922 9.449 1.00 29.40 C +ATOM 629 CG1 VAL A1606 22.764 18.430 10.066 1.00 28.50 C +ATOM 630 CG2 VAL A1606 25.170 18.990 9.509 1.00 33.37 C +ATOM 631 N MET A1607 25.791 15.591 8.333 1.00 28.75 N +ATOM 632 CA MET A1607 26.962 15.285 7.560 1.00 29.81 C +ATOM 633 C MET A1607 26.700 15.788 6.141 1.00 29.74 C +ATOM 634 O MET A1607 25.552 15.948 5.775 1.00 27.88 O +ATOM 635 CB MET A1607 27.325 13.816 7.671 1.00 31.21 C +ATOM 636 CG MET A1607 26.698 12.764 6.774 1.00 34.90 C +ATOM 637 SD MET A1607 27.789 11.276 6.532 1.00 41.54 S +ATOM 638 CE MET A1607 29.057 11.898 5.420 1.00 46.47 C +ATOM 639 N LYS A1608 27.758 16.111 5.420 1.00 30.03 N +ATOM 640 CA LYS A1608 27.625 16.685 4.084 1.00 32.33 C +ATOM 641 C LYS A1608 27.922 15.578 3.096 1.00 32.25 C +ATOM 642 O LYS A1608 28.871 14.787 3.283 1.00 31.58 O +ATOM 643 CB LYS A1608 28.569 17.871 3.863 1.00 33.19 C +ATOM 644 CG LYS A1608 28.076 19.186 4.416 1.00 36.90 C +ATOM 645 CD LYS A1608 28.880 20.383 3.853 1.00 40.98 C +ATOM 646 N LEU A1609 27.060 15.453 2.097 1.00 32.90 N +ATOM 647 CA LEU A1609 27.290 14.512 0.993 1.00 34.10 C +ATOM 648 C LEU A1609 27.466 15.342 -0.268 1.00 34.58 C +ATOM 649 O LEU A1609 26.827 16.396 -0.427 1.00 35.34 O +ATOM 650 CB LEU A1609 26.118 13.561 0.804 1.00 34.18 C +ATOM 651 CG LEU A1609 25.568 12.731 1.958 1.00 36.72 C +ATOM 652 CD1 LEU A1609 24.465 11.826 1.430 1.00 38.53 C +ATOM 653 CD2 LEU A1609 26.645 11.908 2.615 1.00 38.06 C +ATOM 654 N PHE A1610 28.353 14.901 -1.152 1.00 35.56 N +ATOM 655 CA PHE A1610 28.614 15.617 -2.396 1.00 36.40 C +ATOM 656 C PHE A1610 28.835 17.110 -2.161 1.00 37.24 C +ATOM 657 O PHE A1610 28.298 17.923 -2.896 1.00 38.77 O +ATOM 658 CB PHE A1610 27.432 15.377 -3.364 1.00 35.91 C +ATOM 659 CG PHE A1610 27.131 13.925 -3.600 1.00 36.99 C +ATOM 660 CD1 PHE A1610 27.994 13.149 -4.383 1.00 37.59 C +ATOM 661 CD2 PHE A1610 26.041 13.307 -2.993 1.00 38.45 C +ATOM 662 CE1 PHE A1610 27.735 11.810 -4.595 1.00 36.91 C +ATOM 663 CE2 PHE A1610 25.777 11.935 -3.180 1.00 40.41 C +ATOM 664 CZ PHE A1610 26.625 11.189 -3.995 1.00 41.30 C +ATOM 665 N ASN A1611 29.570 17.473 -1.100 1.00 37.87 N +ATOM 666 CA ASN A1611 29.907 18.881 -0.766 1.00 37.73 C +ATOM 667 C ASN A1611 28.774 19.838 -0.301 1.00 37.72 C +ATOM 668 O ASN A1611 28.943 20.599 0.648 1.00 39.88 O +ATOM 669 CB ASN A1611 30.678 19.536 -1.914 1.00 39.04 C +ATOM 670 N LYS A1612 27.618 19.798 -0.936 1.00 36.27 N +ATOM 671 CA LYS A1612 26.560 20.749 -0.617 1.00 34.92 C +ATOM 672 C LYS A1612 25.263 20.142 -0.091 1.00 31.93 C +ATOM 673 O LYS A1612 24.359 20.893 0.275 1.00 31.71 O +ATOM 674 CB LYS A1612 26.282 21.618 -1.843 1.00 35.67 C +ATOM 675 CG LYS A1612 27.395 22.644 -2.144 1.00 39.70 C +ATOM 676 CD LYS A1612 27.013 23.590 -3.277 1.00 43.58 C +ATOM 677 CE LYS A1612 28.045 24.703 -3.453 1.00 44.99 C +ATOM 678 NZ LYS A1612 27.764 25.483 -4.699 1.00 46.98 N +ATOM 679 N ALA A1613 25.145 18.819 -0.028 1.00 29.74 N +ATOM 680 CA ALA A1613 23.925 18.196 0.498 1.00 28.63 C +ATOM 681 C ALA A1613 24.098 17.853 1.961 1.00 28.13 C +ATOM 682 O ALA A1613 24.956 17.057 2.292 1.00 31.56 O +ATOM 683 CB ALA A1613 23.554 16.938 -0.283 1.00 28.61 C +ATOM 684 N LYS A1614 23.280 18.389 2.828 1.00 26.90 N +ATOM 685 CA LYS A1614 23.435 18.125 4.255 1.00 27.05 C +ATOM 686 C LYS A1614 22.362 17.147 4.643 1.00 24.41 C +ATOM 687 O LYS A1614 21.193 17.331 4.277 1.00 24.27 O +ATOM 688 CB LYS A1614 23.301 19.395 5.075 1.00 28.36 C +ATOM 689 CG LYS A1614 24.488 20.346 5.036 1.00 34.57 C +ATOM 690 CD LYS A1614 24.192 21.476 6.066 1.00 38.75 C +ATOM 691 CE LYS A1614 25.409 22.309 6.471 1.00 42.95 C +ATOM 692 NZ LYS A1614 25.052 23.146 7.693 1.00 44.81 N +ATOM 693 N VAL A1615 22.737 16.078 5.338 1.00 22.25 N +ATOM 694 CA VAL A1615 21.807 15.033 5.727 1.00 21.17 C +ATOM 695 C VAL A1615 21.842 14.900 7.239 1.00 21.51 C +ATOM 696 O VAL A1615 22.917 15.126 7.853 1.00 21.07 O +ATOM 697 CB VAL A1615 22.052 13.661 5.059 1.00 22.01 C +ATOM 698 CG1 VAL A1615 21.777 13.748 3.554 1.00 23.57 C +ATOM 699 CG2 VAL A1615 23.453 13.166 5.302 1.00 23.92 C +ATOM 700 N ASN A1616 20.690 14.608 7.820 1.00 19.54 N +ATOM 701 CA ASN A1616 20.579 14.450 9.260 1.00 20.13 C +ATOM 702 C ASN A1616 21.118 13.071 9.639 1.00 19.48 C +ATOM 703 O ASN A1616 20.652 12.072 9.148 1.00 18.79 O +ATOM 704 CB ASN A1616 19.127 14.540 9.655 1.00 20.91 C +ATOM 705 CG ASN A1616 18.935 14.385 11.149 1.00 22.74 C +ATOM 706 OD1 ASN A1616 18.651 13.302 11.613 1.00 21.79 O +ATOM 707 ND2 ASN A1616 19.168 15.465 11.901 1.00 26.44 N +ATOM 708 N VAL A1617 22.120 13.033 10.514 1.00 19.21 N +ATOM 709 CA VAL A1617 22.795 11.802 10.870 1.00 18.96 C +ATOM 710 C VAL A1617 21.810 10.811 11.510 1.00 19.52 C +ATOM 711 O VAL A1617 21.772 9.639 11.131 1.00 19.43 O +ATOM 712 CB VAL A1617 24.014 12.099 11.805 1.00 19.14 C +ATOM 713 CG1 VAL A1617 24.578 10.796 12.387 1.00 20.54 C +ATOM 714 CG2 VAL A1617 25.122 12.842 11.056 1.00 17.73 C +ATOM 715 N ASN A1618 20.992 11.240 12.490 1.00 20.51 N +ATOM 716 CA ASN A1618 20.090 10.311 13.140 1.00 20.68 C +ATOM 717 C ASN A1618 19.120 9.661 12.163 1.00 20.44 C +ATOM 718 O ASN A1618 18.880 8.453 12.229 1.00 19.42 O +ATOM 719 CB ASN A1618 19.284 11.016 14.241 1.00 21.83 C +ATOM 720 CG ASN A1618 20.129 11.339 15.469 1.00 26.97 C +ATOM 721 OD1 ASN A1618 21.184 10.756 15.639 1.00 28.60 O +ATOM 722 ND2 ASN A1618 19.657 12.255 16.326 1.00 28.73 N +ATOM 723 N LEU A1619 18.551 10.467 11.266 1.00 20.28 N +ATOM 724 CA LEU A1619 17.545 9.938 10.375 1.00 20.37 C +ATOM 725 C LEU A1619 18.142 9.121 9.213 1.00 19.55 C +ATOM 726 O LEU A1619 17.487 8.162 8.722 1.00 19.71 O +ATOM 727 CB LEU A1619 16.559 11.021 9.940 1.00 21.48 C +ATOM 728 CG LEU A1619 15.591 11.419 11.071 1.00 24.15 C +ATOM 729 CD1 LEU A1619 14.855 12.692 10.673 1.00 28.98 C +ATOM 730 CD2 LEU A1619 14.633 10.304 11.421 1.00 30.56 C +ATOM 731 N LEU A1620 19.380 9.422 8.846 1.00 19.62 N +ATOM 732 CA LEU A1620 20.122 8.559 7.908 1.00 20.16 C +ATOM 733 C LEU A1620 20.387 7.217 8.520 1.00 21.43 C +ATOM 734 O LEU A1620 20.136 6.196 7.894 1.00 20.98 O +ATOM 735 CB LEU A1620 21.394 9.213 7.414 1.00 20.07 C +ATOM 736 CG LEU A1620 22.273 8.456 6.403 1.00 21.35 C +ATOM 737 CD1 LEU A1620 21.422 8.057 5.142 1.00 21.39 C +ATOM 738 CD2 LEU A1620 23.500 9.338 6.084 1.00 22.12 C +ATOM 739 N ILE A1621 20.863 7.197 9.768 1.00 20.64 N +ATOM 740 CA ILE A1621 21.056 5.923 10.469 1.00 20.75 C +ATOM 741 C ILE A1621 19.757 5.105 10.486 1.00 22.04 C +ATOM 742 O ILE A1621 19.760 3.873 10.214 1.00 22.79 O +ATOM 743 CB ILE A1621 21.599 6.140 11.903 1.00 20.62 C +ATOM 744 CG1 ILE A1621 23.035 6.616 11.824 1.00 20.17 C +ATOM 745 CG2 ILE A1621 21.458 4.854 12.733 1.00 23.74 C +ATOM 746 CD1 ILE A1621 23.607 7.152 13.186 1.00 21.76 C +ATOM 747 N PHE A1622 18.648 5.760 10.826 1.00 22.12 N +ATOM 748 CA PHE A1622 17.347 5.111 10.860 1.00 23.57 C +ATOM 749 C PHE A1622 16.942 4.560 9.496 1.00 23.62 C +ATOM 750 O PHE A1622 16.569 3.408 9.391 1.00 22.55 O +ATOM 751 CB PHE A1622 16.320 6.082 11.371 1.00 25.42 C +ATOM 752 CG PHE A1622 14.922 5.513 11.440 1.00 30.53 C +ATOM 753 CD1 PHE A1622 14.641 4.451 12.266 1.00 36.46 C +ATOM 754 CD2 PHE A1622 13.900 6.081 10.704 1.00 38.96 C +ATOM 755 CE1 PHE A1622 13.330 3.943 12.356 1.00 40.07 C +ATOM 756 CE2 PHE A1622 12.597 5.583 10.782 1.00 41.19 C +ATOM 757 CZ PHE A1622 12.327 4.516 11.605 1.00 41.51 C +ATOM 758 N LEU A1623 17.111 5.338 8.440 1.00 24.90 N +ATOM 759 CA LEU A1623 16.814 4.836 7.091 1.00 26.05 C +ATOM 760 C LEU A1623 17.669 3.629 6.661 1.00 25.94 C +ATOM 761 O LEU A1623 17.121 2.622 6.175 1.00 26.51 O +ATOM 762 CB LEU A1623 16.982 5.946 6.069 1.00 26.12 C +ATOM 763 CG LEU A1623 16.497 5.676 4.633 1.00 28.74 C +ATOM 764 CD1 LEU A1623 14.974 5.562 4.542 1.00 32.05 C +ATOM 765 CD2 LEU A1623 17.008 6.842 3.727 1.00 29.73 C +ATOM 766 N LEU A1624 18.983 3.714 6.853 1.00 25.68 N +ATOM 767 CA LEU A1624 19.866 2.585 6.617 1.00 27.30 C +ATOM 768 C LEU A1624 19.465 1.329 7.433 1.00 29.26 C +ATOM 769 O LEU A1624 19.377 0.230 6.865 1.00 31.55 O +ATOM 770 CB LEU A1624 21.324 2.951 6.866 1.00 26.39 C +ATOM 771 CG LEU A1624 21.928 4.022 5.959 1.00 26.15 C +ATOM 772 CD1 LEU A1624 23.362 4.301 6.444 1.00 29.95 C +ATOM 773 CD2 LEU A1624 21.935 3.637 4.507 1.00 28.37 C +ATOM 774 N ASN A1625 19.162 1.501 8.705 1.00 30.32 N +ATOM 775 CA ASN A1625 18.661 0.402 9.561 1.00 32.71 C +ATOM 776 C ASN A1625 17.393 -0.273 9.022 1.00 33.55 C +ATOM 777 O ASN A1625 17.305 -1.503 8.976 1.00 34.69 O +ATOM 778 CB ASN A1625 18.269 0.896 10.964 1.00 33.13 C +ATOM 779 CG ASN A1625 19.464 1.225 11.852 1.00 34.50 C +ATOM 780 OD1 ASN A1625 20.606 0.912 11.514 1.00 39.38 O +ATOM 781 ND2 ASN A1625 19.193 1.840 13.018 1.00 38.01 N +ATOM 782 N LYS A1626 16.398 0.554 8.719 1.00 35.15 N +ATOM 783 CA LYS A1626 15.085 0.110 8.300 1.00 37.16 C +ATOM 784 C LYS A1626 15.170 -0.614 6.971 1.00 38.75 C +ATOM 785 O LYS A1626 14.570 -1.695 6.787 1.00 37.54 O +ATOM 786 CB LYS A1626 14.165 1.314 8.172 1.00 37.86 C +ATOM 787 CG LYS A1626 12.698 1.043 7.904 1.00 40.36 C +ATOM 788 CD LYS A1626 11.872 2.351 8.052 1.00 41.50 C +ATOM 789 N LYS A1627 15.921 -0.036 6.045 1.00 39.45 N +ATOM 790 CA LYS A1627 15.968 -0.559 4.690 1.00 41.23 C +ATOM 791 C LYS A1627 16.996 -1.702 4.496 1.00 40.98 C +ATOM 792 O LYS A1627 16.798 -2.561 3.640 1.00 42.18 O +ATOM 793 CB LYS A1627 16.170 0.600 3.693 1.00 42.13 C +ATOM 794 CG LYS A1627 15.116 1.733 3.832 1.00 45.29 C +ATOM 795 CD LYS A1627 13.769 1.411 3.154 1.00 50.22 C +ATOM 796 CE LYS A1627 12.563 1.911 3.976 1.00 51.97 C +ATOM 797 NZ LYS A1627 11.324 2.120 3.141 1.00 53.88 N +ATOM 798 N PHE A1628 18.060 -1.744 5.292 1.00 40.96 N +ATOM 799 CA PHE A1628 19.156 -2.685 5.053 1.00 41.38 C +ATOM 800 C PHE A1628 19.527 -3.617 6.214 1.00 43.28 C +ATOM 801 O PHE A1628 19.685 -4.817 6.008 1.00 44.12 O +ATOM 802 CB PHE A1628 20.427 -1.949 4.683 1.00 41.20 C +ATOM 803 CG PHE A1628 20.374 -1.266 3.359 1.00 39.38 C +ATOM 804 CD1 PHE A1628 20.480 0.108 3.279 1.00 37.53 C +ATOM 805 CD2 PHE A1628 20.261 -2.009 2.180 1.00 39.39 C +ATOM 806 CE1 PHE A1628 20.460 0.752 2.055 1.00 35.35 C +ATOM 807 CE2 PHE A1628 20.231 -1.370 0.962 1.00 37.44 C +ATOM 808 CZ PHE A1628 20.333 0.014 0.907 1.00 36.88 C +ATOM 809 N LEU A1629 19.754 -3.053 7.396 1.00 44.58 N +ATOM 810 CA LEU A1629 20.307 -3.824 8.533 1.00 45.25 C +ATOM 811 C LEU A1629 19.280 -4.755 9.169 1.00 45.98 C +ATOM 812 O LEU A1629 19.677 -5.710 9.841 1.00 44.33 O +ATOM 813 CB LEU A1629 20.910 -2.899 9.594 1.00 45.65 C +ATOM 814 CG LEU A1629 22.050 -1.994 9.100 1.00 46.44 C +ATOM 815 CD1 LEU A1629 22.786 -1.467 10.323 1.00 47.51 C +ATOM 816 CD2 LEU A1629 23.010 -2.717 8.134 1.00 43.71 C +ATOM 817 N ARG A1630 17.988 -4.473 8.928 1.00 46.21 N +ATOM 818 CA ARG A1630 16.873 -5.313 9.399 1.00 47.34 C +ATOM 819 C ARG A1630 16.730 -6.564 8.515 1.00 47.46 C +ATOM 820 O ARG A1630 16.516 -6.440 7.300 1.00 47.99 O +ATOM 821 CB ARG A1630 15.554 -4.512 9.402 1.00 46.76 C Added: SwiftApps/modFTdock/input/3kgr-1.pdb =================================================================== --- SwiftApps/modFTdock/input/3kgr-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/3kgr-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,801 @@ +ATOM 1 N ASP A 25 26.416 38.154 56.281 1.00 71.61 N +ATOM 2 CA ASP A 25 26.341 38.887 57.541 1.00 69.57 C +ATOM 3 C ASP A 25 26.189 40.369 57.206 1.00 62.37 C +ATOM 4 O ASP A 25 25.291 41.055 57.715 1.00 59.95 O +ATOM 5 CB ASP A 25 27.608 38.654 58.365 1.00 71.77 C +ATOM 6 CG ASP A 25 27.331 38.561 59.859 1.00 78.47 C +ATOM 7 OD1 ASP A 25 26.189 38.854 60.294 1.00 80.20 O +ATOM 8 OD2 ASP A 25 28.264 38.187 60.601 1.00 82.55 O +ATOM 9 N LEU A 26 27.092 40.858 56.354 1.00 52.59 N +ATOM 10 CA LEU A 26 26.975 42.194 55.772 1.00 36.43 C +ATOM 11 C LEU A 26 25.870 42.172 54.733 1.00 28.39 C +ATOM 12 O LEU A 26 25.866 41.306 53.848 1.00 28.87 O +ATOM 13 CB LEU A 26 28.266 42.586 55.057 1.00 28.03 C +ATOM 14 CG LEU A 26 29.535 42.908 55.827 1.00 20.75 C +ATOM 15 CD1 LEU A 26 30.642 43.083 54.821 1.00 16.45 C +ATOM 16 CD2 LEU A 26 29.353 44.154 56.681 1.00 22.46 C +ATOM 17 N PRO A 27 24.937 43.132 54.815 1.00 24.61 N +ATOM 18 CA PRO A 27 23.859 43.188 53.820 1.00 23.33 C +ATOM 19 C PRO A 27 24.411 43.457 52.411 1.00 18.86 C +ATOM 20 O PRO A 27 25.372 44.205 52.264 1.00 20.72 O +ATOM 21 CB PRO A 27 22.997 44.370 54.288 1.00 22.70 C +ATOM 22 CG PRO A 27 23.450 44.684 55.673 1.00 26.72 C +ATOM 23 CD PRO A 27 24.861 44.226 55.799 1.00 25.49 C +ATOM 24 N ARG A 28 23.830 42.833 51.396 1.00 16.61 N +ATOM 25 CA ARG A 28 24.182 43.145 50.015 1.00 15.23 C +ATOM 26 C ARG A 28 23.799 44.606 49.728 1.00 15.33 C +ATOM 27 O ARG A 28 22.690 45.029 50.077 1.00 17.62 O +ATOM 28 CB ARG A 28 23.442 42.173 49.086 1.00 18.97 C +ATOM 29 CG ARG A 28 23.301 42.622 47.664 1.00 15.30 C +ATOM 30 CD ARG A 28 22.538 41.570 46.868 1.00 18.37 C +ATOM 31 NE ARG A 28 23.391 40.472 46.437 1.00 21.20 N +ATOM 32 CZ ARG A 28 23.266 39.220 46.859 1.00 21.20 C +ATOM 33 NH1 ARG A 28 22.321 38.908 47.734 1.00 21.42 N +ATOM 34 NH2 ARG A 28 24.078 38.275 46.391 1.00 13.00 N +ATOM 35 N PRO A 29 24.715 45.398 49.118 1.00 16.99 N +ATOM 36 CA PRO A 29 24.356 46.806 48.897 1.00 15.93 C +ATOM 37 C PRO A 29 23.371 46.946 47.742 1.00 9.40 C +ATOM 38 O PRO A 29 23.189 46.007 46.975 1.00 9.36 O +ATOM 39 CB PRO A 29 25.708 47.452 48.520 1.00 11.12 C +ATOM 40 CG PRO A 29 26.484 46.317 47.888 1.00 7.70 C +ATOM 41 CD PRO A 29 26.126 45.135 48.758 1.00 13.63 C +ATOM 42 N SER A 30 22.769 48.123 47.606 1.00 13.27 N +ATOM 43 CA SER A 30 21.928 48.425 46.454 1.00 12.42 C +ATOM 44 C SER A 30 22.591 49.446 45.535 1.00 12.04 C +ATOM 45 O SER A 30 23.400 50.268 45.966 1.00 9.40 O +ATOM 46 CB SER A 30 20.563 48.952 46.903 1.00 13.25 C +ATOM 47 OG SER A 30 20.709 50.249 47.438 1.00 16.74 O +ATOM 48 N ILE A 31 22.260 49.355 44.252 1.00 11.87 N +ATOM 49 CA ILE A 31 22.736 50.309 43.267 1.00 7.13 C +ATOM 50 C ILE A 31 21.511 50.953 42.614 1.00 10.13 C +ATOM 51 O ILE A 31 20.508 50.274 42.363 1.00 9.69 O +ATOM 52 CB ILE A 31 23.662 49.638 42.203 1.00 15.42 C +ATOM 53 CG1 ILE A 31 24.234 50.684 41.240 1.00 14.41 C +ATOM 54 CG2 ILE A 31 22.920 48.506 41.461 1.00 10.14 C +ATOM 55 CD1 ILE A 31 25.452 50.203 40.398 1.00 12.74 C +ATOM 56 N ASER A 32 21.597 52.260 42.368 0.58 12.42 N +ATOM 57 N BSER A 32 21.597 52.253 42.346 0.42 12.42 N +ATOM 58 CA ASER A 32 20.549 53.016 41.681 0.58 14.09 C +ATOM 59 CA BSER A 32 20.539 52.972 41.639 0.42 14.12 C +ATOM 60 C ASER A 32 21.174 53.887 40.588 0.58 14.60 C +ATOM 61 C BSER A 32 21.144 53.923 40.612 0.42 14.81 C +ATOM 62 O ASER A 32 22.327 54.301 40.709 0.58 16.71 O +ATOM 63 O BSER A 32 22.246 54.434 40.807 0.42 16.64 O +ATOM 64 CB ASER A 32 19.780 53.900 42.676 0.58 13.23 C +ATOM 65 CB BSER A 32 19.663 53.752 42.624 0.42 13.81 C +ATOM 66 OG ASER A 32 19.126 53.131 43.673 0.58 13.11 O +ATOM 67 OG BSER A 32 20.396 54.791 43.246 0.42 15.70 O +ATOM 68 N ALA A 33 20.432 54.151 39.515 1.00 14.45 N +ATOM 69 CA ALA A 33 20.905 55.085 38.492 1.00 12.82 C +ATOM 70 C ALA A 33 19.984 56.308 38.431 1.00 16.13 C +ATOM 71 O ALA A 33 18.753 56.179 38.491 1.00 14.78 O +ATOM 72 CB ALA A 33 21.041 54.413 37.107 1.00 8.94 C +ATOM 73 N GLU A 34 20.594 57.489 38.351 1.00 14.23 N +ATOM 74 CA GLU A 34 19.864 58.745 38.258 1.00 11.38 C +ATOM 75 C GLU A 34 20.388 59.448 37.025 1.00 9.64 C +ATOM 76 O GLU A 34 21.584 59.681 36.920 1.00 12.92 O +ATOM 77 CB GLU A 34 20.120 59.582 39.502 1.00 14.35 C +ATOM 78 CG GLU A 34 19.811 58.858 40.812 1.00 17.39 C +ATOM 79 CD GLU A 34 19.991 59.758 42.028 1.00 24.62 C +ATOM 80 OE1 GLU A 34 20.604 60.836 41.879 1.00 24.95 O +ATOM 81 OE2 GLU A 34 19.524 59.393 43.135 1.00 22.99 O +ATOM 82 N PRO A 35 19.504 59.813 36.091 1.00 12.52 N +ATOM 83 CA PRO A 35 18.032 59.784 36.119 1.00 21.92 C +ATOM 84 C PRO A 35 17.411 58.423 35.829 1.00 21.60 C +ATOM 85 O PRO A 35 16.224 58.238 36.075 1.00 23.85 O +ATOM 86 CB PRO A 35 17.650 60.752 34.989 1.00 24.63 C +ATOM 87 CG PRO A 35 18.824 60.672 34.035 1.00 24.52 C +ATOM 88 CD PRO A 35 20.004 60.618 34.960 1.00 18.57 C +ATOM 89 N GLY A 36 18.192 57.494 35.308 1.00 18.85 N +ATOM 90 CA GLY A 36 17.667 56.198 34.934 1.00 16.45 C +ATOM 91 C GLY A 36 18.733 55.348 34.277 1.00 19.31 C +ATOM 92 O GLY A 36 19.901 55.734 34.244 1.00 17.42 O +ATOM 93 N THR A 37 18.338 54.191 33.755 1.00 17.37 N +ATOM 94 CA THR A 37 19.312 53.231 33.236 1.00 16.72 C +ATOM 95 C THR A 37 19.462 53.355 31.724 1.00 12.61 C +ATOM 96 O THR A 37 20.411 52.828 31.140 1.00 12.83 O +ATOM 97 CB THR A 37 18.931 51.770 33.610 1.00 23.56 C +ATOM 98 OG1 THR A 37 17.742 51.387 32.906 1.00 21.57 O +ATOM 99 CG2 THR A 37 18.677 51.654 35.096 1.00 25.21 C +ATOM 100 N VAL A 38 18.504 54.033 31.091 1.00 16.22 N +ATOM 101 CA VAL A 38 18.563 54.290 29.648 1.00 16.40 C +ATOM 102 C VAL A 38 18.909 55.764 29.421 1.00 14.06 C +ATOM 103 O VAL A 38 18.119 56.655 29.728 1.00 14.25 O +ATOM 104 CB VAL A 38 17.231 53.962 28.939 1.00 16.57 C +ATOM 105 CG1 VAL A 38 17.372 54.169 27.427 1.00 15.07 C +ATOM 106 CG2 VAL A 38 16.773 52.552 29.262 1.00 13.66 C +ATOM 107 N ILE A 39 20.089 56.010 28.868 1.00 13.15 N +ATOM 108 CA ILE A 39 20.679 57.344 28.885 1.00 14.20 C +ATOM 109 C ILE A 39 21.096 57.835 27.500 1.00 17.64 C +ATOM 110 O ILE A 39 21.799 57.134 26.782 1.00 20.58 O +ATOM 111 CB ILE A 39 21.925 57.356 29.806 1.00 14.15 C +ATOM 112 CG1 ILE A 39 21.524 56.990 31.235 1.00 11.72 C +ATOM 113 CG2 ILE A 39 22.636 58.708 29.762 1.00 17.13 C +ATOM 114 CD1 ILE A 39 20.586 57.962 31.887 1.00 15.78 C +ATOM 115 N PRO A 40 20.676 59.056 27.129 1.00 20.79 N +ATOM 116 CA PRO A 40 21.097 59.579 25.830 1.00 20.64 C +ATOM 117 C PRO A 40 22.603 59.773 25.779 1.00 16.15 C +ATOM 118 O PRO A 40 23.255 60.137 26.768 1.00 16.55 O +ATOM 119 CB PRO A 40 20.376 60.928 25.736 1.00 17.42 C +ATOM 120 CG PRO A 40 19.311 60.878 26.770 1.00 17.83 C +ATOM 121 CD PRO A 40 19.859 60.031 27.868 1.00 20.72 C +ATOM 122 N LEU A 41 23.160 59.492 24.612 1.00 17.72 N +ATOM 123 CA LEU A 41 24.564 59.740 24.341 1.00 17.45 C +ATOM 124 C LEU A 41 24.882 61.162 24.782 1.00 18.11 C +ATOM 125 O LEU A 41 24.117 62.091 24.497 1.00 22.51 O +ATOM 126 CB LEU A 41 24.800 59.576 22.843 1.00 17.48 C +ATOM 127 CG LEU A 41 26.230 59.417 22.341 1.00 22.94 C +ATOM 128 CD1 LEU A 41 26.825 58.107 22.813 1.00 19.22 C +ATOM 129 CD2 LEU A 41 26.247 59.518 20.819 1.00 28.82 C +ATOM 130 N GLY A 42 25.983 61.341 25.508 1.00 16.38 N +ATOM 131 CA GLY A 42 26.406 62.679 25.900 1.00 13.88 C +ATOM 132 C GLY A 42 25.796 63.190 27.194 1.00 17.65 C +ATOM 133 O GLY A 42 26.249 64.187 27.744 1.00 20.13 O +ATOM 134 N SER A 43 24.757 62.513 27.676 1.00 19.25 N +ATOM 135 CA SER A 43 24.119 62.887 28.931 1.00 15.14 C +ATOM 136 C SER A 43 24.887 62.288 30.101 1.00 16.74 C +ATOM 137 O SER A 43 25.736 61.413 29.929 1.00 16.75 O +ATOM 138 CB SER A 43 22.673 62.389 28.975 1.00 14.18 C +ATOM 139 OG SER A 43 21.790 63.337 28.429 1.00 23.70 O +ATOM 140 N HIS A 44 24.582 62.757 31.300 1.00 14.25 N +ATOM 141 CA HIS A 44 25.208 62.193 32.485 1.00 16.09 C +ATOM 142 C HIS A 44 24.333 61.105 33.103 1.00 18.08 C +ATOM 143 O HIS A 44 23.107 61.054 32.900 1.00 17.05 O +ATOM 144 CB HIS A 44 25.453 63.281 33.528 1.00 13.62 C +ATOM 145 CG HIS A 44 24.228 63.633 34.313 1.00 25.23 C +ATOM 146 ND1 HIS A 44 23.282 64.530 33.856 1.00 27.99 N +ATOM 147 CD2 HIS A 44 23.777 63.186 35.508 1.00 29.44 C +ATOM 148 CE1 HIS A 44 22.308 64.627 34.742 1.00 31.61 C +ATOM 149 NE2 HIS A 44 22.583 63.822 35.755 1.00 32.95 N +ATOM 150 N VAL A 45 24.974 60.226 33.861 1.00 15.46 N +ATOM 151 CA VAL A 45 24.245 59.351 34.750 1.00 13.75 C +ATOM 152 C VAL A 45 24.999 59.350 36.076 1.00 13.09 C +ATOM 153 O VAL A 45 26.224 59.513 36.099 1.00 10.54 O +ATOM 154 CB VAL A 45 24.034 57.926 34.142 1.00 12.81 C +ATOM 155 CG1 VAL A 45 25.372 57.255 33.798 1.00 11.76 C +ATOM 156 CG2 VAL A 45 23.181 57.062 35.077 1.00 13.23 C +ATOM 157 N THR A 46 24.267 59.227 37.175 1.00 12.04 N +ATOM 158 CA THR A 46 24.880 59.090 38.487 1.00 13.08 C +ATOM 159 C THR A 46 24.432 57.762 39.089 1.00 15.89 C +ATOM 160 O THR A 46 23.219 57.464 39.146 1.00 11.88 O +ATOM 161 CB THR A 46 24.457 60.220 39.438 1.00 12.39 C +ATOM 162 OG1 THR A 46 24.838 61.492 38.890 1.00 15.85 O +ATOM 163 CG2 THR A 46 25.098 60.024 40.827 1.00 14.45 C +ATOM 164 N PHE A 47 25.414 56.959 39.498 1.00 12.81 N +ATOM 165 CA PHE A 47 25.156 55.721 40.228 1.00 10.47 C +ATOM 166 C PHE A 47 25.240 55.991 41.728 1.00 12.87 C +ATOM 167 O PHE A 47 26.205 56.608 42.213 1.00 11.29 O +ATOM 168 CB PHE A 47 26.163 54.646 39.839 1.00 11.14 C +ATOM 169 CG PHE A 47 26.086 54.264 38.396 1.00 12.50 C +ATOM 170 CD1 PHE A 47 26.997 54.767 37.485 1.00 11.79 C +ATOM 171 CD2 PHE A 47 25.063 53.436 37.947 1.00 17.72 C +ATOM 172 CE1 PHE A 47 26.908 54.424 36.153 1.00 17.23 C +ATOM 173 CE2 PHE A 47 24.966 53.086 36.613 1.00 21.46 C +ATOM 174 CZ PHE A 47 25.888 53.580 35.716 1.00 20.93 C +ATOM 175 N VAL A 48 24.206 55.563 42.444 1.00 9.22 N +ATOM 176 CA VAL A 48 24.170 55.703 43.889 1.00 9.05 C +ATOM 177 C VAL A 48 24.258 54.331 44.512 1.00 9.93 C +ATOM 178 O VAL A 48 23.420 53.469 44.255 1.00 11.48 O +ATOM 179 CB VAL A 48 22.898 56.407 44.391 1.00 11.69 C +ATOM 180 CG1 VAL A 48 23.004 56.647 45.879 1.00 7.76 C +ATOM 181 CG2 VAL A 48 22.670 57.714 43.640 1.00 14.86 C +ATOM 182 N CYS A 49 25.313 54.132 45.297 1.00 11.17 N +ATOM 183 CA CYS A 49 25.517 52.919 46.063 1.00 8.17 C +ATOM 184 C CYS A 49 25.077 53.169 47.496 1.00 7.55 C +ATOM 185 O CYS A 49 25.439 54.170 48.091 1.00 11.13 O +ATOM 186 CB CYS A 49 26.989 52.520 46.051 1.00 10.53 C +ATOM 187 SG CYS A 49 27.675 52.107 44.413 1.00 17.81 S +ATOM 188 N ARG A 50 24.294 52.250 48.036 1.00 8.94 N +ATOM 189 CA ARG A 50 23.788 52.362 49.402 1.00 8.63 C +ATOM 190 C ARG A 50 24.019 51.066 50.158 1.00 11.74 C +ATOM 191 O ARG A 50 23.901 49.954 49.608 1.00 11.18 O +ATOM 192 CB ARG A 50 22.300 52.721 49.417 1.00 8.62 C +ATOM 193 CG ARG A 50 21.965 54.026 48.728 1.00 9.60 C +ATOM 194 CD ARG A 50 20.475 54.232 48.720 1.00 11.58 C +ATOM 195 NE ARG A 50 20.115 55.577 48.278 1.00 17.39 N +ATOM 196 CZ ARG A 50 19.794 55.913 47.033 1.00 15.41 C +ATOM 197 NH1 ARG A 50 19.775 55.000 46.071 1.00 14.72 N +ATOM 198 NH2 ARG A 50 19.494 57.174 46.754 1.00 22.28 N +ATOM 199 N GLY A 51 24.326 51.207 51.436 1.00 10.33 N +ATOM 200 CA GLY A 51 24.586 50.064 52.276 1.00 12.21 C +ATOM 201 C GLY A 51 24.296 50.407 53.718 1.00 15.59 C +ATOM 202 O GLY A 51 23.565 51.373 54.006 1.00 11.39 O +ATOM 203 N PRO A 52 24.866 49.611 54.636 1.00 15.98 N +ATOM 204 CA PRO A 52 24.633 49.836 56.063 1.00 14.48 C +ATOM 205 C PRO A 52 25.430 51.038 56.562 1.00 16.03 C +ATOM 206 O PRO A 52 26.244 51.608 55.833 1.00 15.58 O +ATOM 207 CB PRO A 52 25.133 48.534 56.703 1.00 13.07 C +ATOM 208 CG PRO A 52 26.148 48.013 55.760 1.00 9.25 C +ATOM 209 CD PRO A 52 25.801 48.496 54.382 1.00 11.00 C +ATOM 210 N VAL A 53 25.195 51.430 57.802 1.00 16.90 N +ATOM 211 CA VAL A 53 26.004 52.477 58.381 1.00 13.60 C +ATOM 212 C VAL A 53 27.423 51.914 58.573 1.00 14.60 C +ATOM 213 O VAL A 53 27.611 50.696 58.703 1.00 13.44 O +ATOM 214 CB VAL A 53 25.355 53.028 59.667 1.00 15.90 C +ATOM 215 CG1 VAL A 53 24.950 51.888 60.590 1.00 18.47 C +ATOM 216 CG2 VAL A 53 26.277 54.030 60.356 1.00 18.91 C +ATOM 217 N GLY A 54 28.429 52.783 58.516 1.00 17.54 N +ATOM 218 CA GLY A 54 29.794 52.359 58.782 1.00 16.24 C +ATOM 219 C GLY A 54 30.599 51.850 57.590 1.00 11.49 C +ATOM 220 O GLY A 54 31.690 51.302 57.761 1.00 14.79 O +ATOM 221 N VAL A 55 30.083 52.015 56.380 1.00 12.47 N +ATOM 222 CA VAL A 55 30.880 51.674 55.202 1.00 12.91 C +ATOM 223 C VAL A 55 32.093 52.612 55.088 1.00 13.22 C +ATOM 224 O VAL A 55 31.973 53.828 55.237 1.00 10.94 O +ATOM 225 CB VAL A 55 30.055 51.738 53.890 1.00 11.96 C +ATOM 226 CG1 VAL A 55 30.978 51.623 52.691 1.00 5.43 C +ATOM 227 CG2 VAL A 55 28.965 50.647 53.865 1.00 13.92 C +ATOM 228 N GLN A 56 33.260 52.044 54.815 1.00 13.36 N +ATOM 229 CA GLN A 56 34.471 52.847 54.705 1.00 13.09 C +ATOM 230 C GLN A 56 34.771 53.193 53.241 1.00 11.40 C +ATOM 231 O GLN A 56 35.233 54.293 52.925 1.00 12.66 O +ATOM 232 CB GLN A 56 35.655 52.117 55.354 1.00 14.18 C +ATOM 233 CG GLN A 56 35.498 51.867 56.864 1.00 17.98 C +ATOM 234 CD GLN A 56 35.658 53.127 57.753 1.00 21.68 C +ATOM 235 OE1 GLN A 56 36.101 54.186 57.305 1.00 24.55 O +ATOM 236 NE2 GLN A 56 35.308 52.992 59.019 1.00 24.74 N +ATOM 237 N THR A 57 34.512 52.237 52.352 1.00 15.70 N +ATOM 238 CA THR A 57 34.747 52.411 50.917 1.00 12.61 C +ATOM 239 C THR A 57 33.585 51.823 50.127 1.00 11.75 C +ATOM 240 O THR A 57 33.184 50.681 50.377 1.00 10.35 O +ATOM 241 CB THR A 57 36.060 51.716 50.431 1.00 9.30 C +ATOM 242 OG1 THR A 57 37.204 52.354 51.002 1.00 9.62 O +ATOM 243 CG2 THR A 57 36.168 51.778 48.897 1.00 10.92 C +ATOM 244 N PHE A 58 33.060 52.604 49.181 1.00 7.62 N +ATOM 245 CA PHE A 58 32.187 52.078 48.131 1.00 7.68 C +ATOM 246 C PHE A 58 32.968 51.946 46.822 1.00 6.89 C +ATOM 247 O PHE A 58 33.784 52.815 46.484 1.00 5.46 O +ATOM 248 CB PHE A 58 30.960 52.966 47.903 1.00 9.48 C +ATOM 249 CG PHE A 58 29.847 52.754 48.903 1.00 10.94 C +ATOM 250 CD1 PHE A 58 28.961 51.675 48.769 1.00 11.12 C +ATOM 251 CD2 PHE A 58 29.653 53.656 49.959 1.00 10.52 C +ATOM 252 CE1 PHE A 58 27.914 51.494 49.697 1.00 8.82 C +ATOM 253 CE2 PHE A 58 28.613 53.483 50.885 1.00 8.46 C +ATOM 254 CZ PHE A 58 27.745 52.394 50.749 1.00 7.81 C +ATOM 255 N ARG A 59 32.708 50.855 46.099 1.00 7.85 N +ATOM 256 CA ARG A 59 33.344 50.589 44.805 1.00 8.68 C +ATOM 257 C ARG A 59 32.276 50.344 43.746 1.00 9.66 C +ATOM 258 O ARG A 59 31.375 49.513 43.922 1.00 11.11 O +ATOM 259 CB ARG A 59 34.298 49.385 44.900 1.00 8.40 C +ATOM 260 CG ARG A 59 34.671 48.771 43.545 1.00 8.10 C +ATOM 261 CD ARG A 59 35.778 47.733 43.658 1.00 9.91 C +ATOM 262 NE ARG A 59 36.888 48.201 44.504 1.00 18.21 N +ATOM 263 CZ ARG A 59 37.993 47.497 44.767 1.00 17.80 C +ATOM 264 NH1 ARG A 59 38.139 46.286 44.242 1.00 19.53 N +ATOM 265 NH2 ARG A 59 38.947 47.996 45.553 1.00 11.50 N +ATOM 266 N LEU A 60 32.358 51.092 42.656 1.00 3.78 N +ATOM 267 CA LEU A 60 31.484 50.860 41.526 1.00 7.68 C +ATOM 268 C LEU A 60 32.236 49.933 40.601 1.00 8.53 C +ATOM 269 O LEU A 60 33.322 50.262 40.167 1.00 10.82 O +ATOM 270 CB LEU A 60 31.190 52.172 40.801 1.00 9.01 C +ATOM 271 CG LEU A 60 30.374 52.072 39.511 1.00 5.08 C +ATOM 272 CD1 LEU A 60 28.879 51.798 39.836 1.00 8.05 C +ATOM 273 CD2 LEU A 60 30.545 53.346 38.703 1.00 12.47 C +ATOM 274 N GLU A 61 31.650 48.780 40.298 1.00 10.27 N +ATOM 275 CA GLU A 61 32.266 47.816 39.401 1.00 10.67 C +ATOM 276 C GLU A 61 31.691 47.923 38.010 1.00 9.60 C +ATOM 277 O GLU A 61 30.486 47.725 37.802 1.00 8.58 O +ATOM 278 CB GLU A 61 32.095 46.395 39.919 1.00 9.55 C +ATOM 279 CG GLU A 61 32.813 46.138 41.204 1.00 9.74 C +ATOM 280 CD GLU A 61 32.549 44.758 41.679 1.00 22.11 C +ATOM 281 OE1 GLU A 61 31.433 44.277 41.396 1.00 23.94 O +ATOM 282 OE2 GLU A 61 33.446 44.161 42.310 1.00 27.03 O +ATOM 283 N ARG A 62 32.562 48.260 37.060 1.00 9.28 N +ATOM 284 CA ARG A 62 32.172 48.368 35.654 1.00 9.40 C +ATOM 285 C ARG A 62 32.588 47.093 34.924 1.00 12.45 C +ATOM 286 O ARG A 62 33.758 46.921 34.561 1.00 10.98 O +ATOM 287 CB ARG A 62 32.828 49.575 34.989 1.00 8.12 C +ATOM 288 CG ARG A 62 32.838 50.849 35.800 1.00 8.54 C +ATOM 289 CD ARG A 62 33.241 51.980 34.862 1.00 14.90 C +ATOM 290 NE ARG A 62 33.341 53.276 35.508 1.00 15.21 N +ATOM 291 CZ ARG A 62 33.339 54.422 34.838 1.00 12.05 C +ATOM 292 NH1 ARG A 62 33.234 54.391 33.514 1.00 12.09 N +ATOM 293 NH2 ARG A 62 33.439 55.588 35.479 1.00 12.05 N +ATOM 294 N GLU A 63 31.629 46.186 34.743 1.00 7.78 N +ATOM 295 CA GLU A 63 31.935 44.853 34.230 1.00 10.53 C +ATOM 296 C GLU A 63 32.560 44.839 32.831 1.00 12.11 C +ATOM 297 O GLU A 63 33.498 44.086 32.588 1.00 11.71 O +ATOM 298 CB GLU A 63 30.707 43.948 34.237 1.00 7.74 C +ATOM 299 CG GLU A 63 31.057 42.526 33.785 1.00 10.50 C +ATOM 300 CD GLU A 63 29.857 41.623 33.667 1.00 15.65 C +ATOM 301 OE1 GLU A 63 28.945 41.733 34.502 1.00 13.20 O +ATOM 302 OE2 GLU A 63 29.837 40.792 32.739 1.00 19.45 O +ATOM 303 N SER A 64 32.051 45.666 31.919 1.00 14.92 N +ATOM 304 CA SER A 64 32.420 45.521 30.506 1.00 19.48 C +ATOM 305 C SER A 64 33.947 45.505 30.241 1.00 22.52 C +ATOM 306 O SER A 64 34.412 44.711 29.423 1.00 23.21 O +ATOM 307 CB SER A 64 31.664 46.517 29.597 1.00 23.48 C +ATOM 308 OG SER A 64 32.213 47.821 29.667 1.00 31.24 O +ATOM 309 N ARG A 65 34.726 46.346 30.929 1.00 19.03 N +ATOM 310 CA ARG A 65 36.183 46.322 30.734 1.00 23.18 C +ATOM 311 C ARG A 65 36.944 45.976 32.010 1.00 24.37 C +ATOM 312 O ARG A 65 38.155 46.171 32.101 1.00 19.81 O +ATOM 313 CB ARG A 65 36.704 47.631 30.121 1.00 26.27 C +ATOM 314 CG ARG A 65 36.510 47.731 28.614 1.00 26.88 C +ATOM 315 CD ARG A 65 37.038 46.498 27.911 1.00 28.07 C +ATOM 316 NE ARG A 65 36.726 46.508 26.483 1.00 40.33 N +ATOM 317 CZ ARG A 65 35.528 46.228 25.963 1.00 47.36 C +ATOM 318 NH1 ARG A 65 35.349 46.261 24.649 1.00 46.66 N +ATOM 319 NH2 ARG A 65 34.504 45.920 26.749 1.00 50.93 N +ATOM 320 N SER A 66 36.219 45.443 32.985 1.00 20.79 N +ATOM 321 CA SER A 66 36.822 45.019 34.239 1.00 21.24 C +ATOM 322 C SER A 66 37.578 46.160 34.933 1.00 19.38 C +ATOM 323 O SER A 66 38.738 46.012 35.324 1.00 18.20 O +ATOM 324 CB SER A 66 37.749 43.828 34.005 1.00 21.94 C +ATOM 325 OG SER A 66 37.036 42.760 33.417 1.00 22.41 O +ATOM 326 N THR A 67 36.917 47.302 35.073 1.00 13.48 N +ATOM 327 CA THR A 67 37.500 48.407 35.815 1.00 12.32 C +ATOM 328 C THR A 67 36.537 48.780 36.952 1.00 11.10 C +ATOM 329 O THR A 67 35.417 48.230 37.047 1.00 10.38 O +ATOM 330 CB THR A 67 37.802 49.605 34.890 1.00 9.30 C +ATOM 331 OG1 THR A 67 36.586 50.046 34.270 1.00 8.93 O +ATOM 332 CG2 THR A 67 38.842 49.220 33.806 1.00 8.55 C +ATOM 333 N TYR A 68 36.974 49.683 37.823 1.00 7.41 N +ATOM 334 CA TYR A 68 36.154 50.089 38.953 1.00 5.13 C +ATOM 335 C TYR A 68 36.511 51.493 39.396 1.00 8.98 C +ATOM 336 O TYR A 68 37.531 52.061 38.963 1.00 7.36 O +ATOM 337 CB TYR A 68 36.323 49.119 40.120 1.00 7.46 C +ATOM 338 CG TYR A 68 37.715 49.122 40.713 1.00 10.44 C +ATOM 339 CD1 TYR A 68 38.704 48.290 40.196 1.00 12.67 C +ATOM 340 CD2 TYR A 68 38.037 49.952 41.787 1.00 12.51 C +ATOM 341 CE1 TYR A 68 39.987 48.285 40.726 1.00 15.33 C +ATOM 342 CE2 TYR A 68 39.310 49.945 42.341 1.00 11.74 C +ATOM 343 CZ TYR A 68 40.282 49.111 41.801 1.00 14.18 C +ATOM 344 OH TYR A 68 41.553 49.095 42.332 1.00 18.57 O +ATOM 345 N ASN A 69 35.647 52.058 40.233 1.00 5.72 N +ATOM 346 CA ASN A 69 35.897 53.341 40.884 1.00 8.07 C +ATOM 347 C ASN A 69 35.675 53.163 42.366 1.00 8.82 C +ATOM 348 O ASN A 69 34.672 52.575 42.783 1.00 9.31 O +ATOM 349 CB ASN A 69 34.943 54.442 40.395 1.00 8.33 C +ATOM 350 CG ASN A 69 34.996 54.622 38.916 1.00 17.18 C +ATOM 351 OD1 ASN A 69 34.203 54.035 38.198 1.00 21.16 O +ATOM 352 ND2 ASN A 69 35.958 55.408 38.439 1.00 15.98 N +ATOM 353 N ASP A 70 36.617 53.666 43.151 1.00 5.99 N +ATOM 354 CA ASP A 70 36.539 53.608 44.608 1.00 8.86 C +ATOM 355 C ASP A 70 36.272 54.996 45.165 1.00 11.54 C +ATOM 356 O ASP A 70 36.749 56.002 44.620 1.00 13.18 O +ATOM 357 CB ASP A 70 37.869 53.116 45.180 1.00 13.13 C +ATOM 358 CG ASP A 70 37.946 51.616 45.269 1.00 10.47 C +ATOM 359 OD1 ASP A 70 37.010 50.938 44.830 1.00 11.76 O +ATOM 360 OD2 ASP A 70 38.942 51.112 45.807 1.00 16.91 O +ATOM 361 N THR A 71 35.543 55.061 46.272 1.00 10.61 N +ATOM 362 CA THR A 71 35.410 56.325 46.990 1.00 10.77 C +ATOM 363 C THR A 71 35.292 56.102 48.485 1.00 9.95 C +ATOM 364 O THR A 71 34.588 55.183 48.933 1.00 10.67 O +ATOM 365 CB THR A 71 34.199 57.179 46.499 1.00 10.68 C +ATOM 366 OG1 THR A 71 34.251 58.473 47.116 1.00 13.01 O +ATOM 367 CG2 THR A 71 32.881 56.510 46.842 1.00 7.42 C +ATOM 368 N GLU A 72 35.976 56.962 49.246 1.00 9.56 N +ATOM 369 CA GLU A 72 35.849 56.994 50.708 1.00 11.67 C +ATOM 370 C GLU A 72 34.914 58.121 51.133 1.00 7.15 C +ATOM 371 O GLU A 72 34.701 58.349 52.313 1.00 10.43 O +ATOM 372 CB GLU A 72 37.231 57.154 51.367 1.00 12.78 C +ATOM 373 CG GLU A 72 38.104 55.887 51.336 1.00 20.02 C +ATOM 374 CD GLU A 72 38.470 55.439 49.918 1.00 36.54 C +ATOM 375 OE1 GLU A 72 38.951 56.288 49.138 1.00 47.69 O +ATOM 376 OE2 GLU A 72 38.280 54.248 49.569 1.00 37.26 O +ATOM 377 N ASP A 73 34.355 58.825 50.156 1.00 8.55 N +ATOM 378 CA ASP A 73 33.467 59.947 50.440 1.00 9.81 C +ATOM 379 C ASP A 73 32.050 59.457 50.768 1.00 7.50 C +ATOM 380 O ASP A 73 31.112 59.593 49.983 1.00 12.94 O +ATOM 381 CB ASP A 73 33.465 60.940 49.278 1.00 9.88 C +ATOM 382 CG ASP A 73 32.644 62.205 49.582 1.00 13.32 C +ATOM 383 OD1 ASP A 73 32.458 62.539 50.766 1.00 11.32 O +ATOM 384 OD2 ASP A 73 32.184 62.861 48.628 1.00 15.11 O +ATOM 385 N VAL A 74 31.928 58.866 51.944 1.00 11.09 N +ATOM 386 CA VAL A 74 30.715 58.191 52.370 1.00 10.35 C +ATOM 387 C VAL A 74 29.922 59.076 53.331 1.00 8.66 C +ATOM 388 O VAL A 74 30.491 59.727 54.197 1.00 9.31 O +ATOM 389 CB VAL A 74 31.080 56.868 53.062 1.00 8.55 C +ATOM 390 CG1 VAL A 74 29.853 56.206 53.633 1.00 9.07 C +ATOM 391 CG2 VAL A 74 31.816 55.939 52.056 1.00 10.83 C +ATOM 392 N SER A 75 28.611 59.129 53.155 1.00 7.16 N +ATOM 393 CA SER A 75 27.771 59.847 54.117 1.00 7.30 C +ATOM 394 C SER A 75 26.432 59.132 54.342 1.00 10.92 C +ATOM 395 O SER A 75 26.121 58.149 53.667 1.00 12.47 O +ATOM 396 CB SER A 75 27.583 61.316 53.699 1.00 10.38 C +ATOM 397 OG SER A 75 26.952 61.406 52.437 1.00 13.20 O +ATOM 398 N GLN A 76 25.653 59.612 55.301 1.00 8.85 N +ATOM 399 CA GLN A 76 24.417 58.927 55.669 1.00 8.48 C +ATOM 400 C GLN A 76 23.164 59.684 55.269 1.00 10.32 C +ATOM 401 O GLN A 76 23.060 60.893 55.479 1.00 12.10 O +ATOM 402 CB GLN A 76 24.378 58.658 57.169 1.00 8.52 C +ATOM 403 CG GLN A 76 25.589 57.926 57.682 1.00 10.86 C +ATOM 404 CD GLN A 76 25.422 57.514 59.132 1.00 18.54 C +ATOM 405 OE1 GLN A 76 26.344 57.637 59.928 1.00 21.91 O +ATOM 406 NE2 GLN A 76 24.234 57.030 59.481 1.00 22.59 N +ATOM 407 N ALA A 77 22.201 58.949 54.719 1.00 13.15 N +ATOM 408 CA ALA A 77 20.855 59.473 54.513 1.00 14.66 C +ATOM 409 C ALA A 77 20.007 59.308 55.787 1.00 15.79 C +ATOM 410 O ALA A 77 19.064 60.068 56.020 1.00 15.97 O +ATOM 411 CB ALA A 77 20.194 58.798 53.321 1.00 15.75 C +ATOM 412 N SER A 78 20.367 58.327 56.613 1.00 13.28 N +ATOM 413 CA SER A 78 19.668 58.061 57.865 1.00 13.74 C +ATOM 414 C SER A 78 20.598 57.308 58.819 1.00 15.58 C +ATOM 415 O SER A 78 21.683 56.903 58.427 1.00 13.91 O +ATOM 416 CB SER A 78 18.385 57.251 57.602 1.00 18.54 C +ATOM 417 OG SER A 78 18.671 55.984 57.031 1.00 22.19 O +ATOM 418 N PRO A 79 20.172 57.098 60.074 1.00 17.23 N +ATOM 419 CA PRO A 79 21.021 56.378 61.037 1.00 18.90 C +ATOM 420 C PRO A 79 21.435 54.942 60.646 1.00 18.71 C +ATOM 421 O PRO A 79 22.485 54.471 61.083 1.00 25.94 O +ATOM 422 CB PRO A 79 20.153 56.354 62.303 1.00 18.41 C +ATOM 423 CG PRO A 79 19.308 57.578 62.182 1.00 20.06 C +ATOM 424 CD PRO A 79 18.982 57.678 60.722 1.00 17.78 C +ATOM 425 N SER A 80 20.629 54.264 59.842 1.00 11.16 N +ATOM 426 CA SER A 80 20.906 52.878 59.471 1.00 11.79 C +ATOM 427 C SER A 80 21.475 52.708 58.050 1.00 17.84 C +ATOM 428 O SER A 80 21.617 51.590 57.568 1.00 12.99 O +ATOM 429 CB SER A 80 19.627 52.048 59.609 1.00 14.51 C +ATOM 430 OG SER A 80 18.582 52.602 58.809 1.00 19.18 O +ATOM 431 N GLU A 81 21.802 53.810 57.383 1.00 15.95 N +ATOM 432 CA GLU A 81 22.215 53.756 55.985 1.00 14.38 C +ATOM 433 C GLU A 81 23.475 54.584 55.748 1.00 12.74 C +ATOM 434 O GLU A 81 23.710 55.589 56.428 1.00 10.69 O +ATOM 435 CB GLU A 81 21.074 54.273 55.102 1.00 13.39 C +ATOM 436 CG GLU A 81 21.333 54.198 53.596 1.00 9.62 C +ATOM 437 CD GLU A 81 21.785 55.513 52.977 1.00 12.50 C +ATOM 438 OE1 GLU A 81 22.382 56.347 53.684 1.00 15.51 O +ATOM 439 OE2 GLU A 81 21.535 55.712 51.761 1.00 15.93 O +ATOM 440 N SER A 82 24.290 54.159 54.784 1.00 14.25 N +ATOM 441 CA SER A 82 25.314 55.046 54.244 1.00 11.23 C +ATOM 442 C SER A 82 25.333 54.906 52.725 1.00 9.21 C +ATOM 443 O SER A 82 24.746 53.978 52.175 1.00 10.01 O +ATOM 444 CB SER A 82 26.686 54.806 54.888 1.00 13.74 C +ATOM 445 OG SER A 82 27.173 53.511 54.615 1.00 17.16 O +ATOM 446 N GLU A 83 25.967 55.846 52.041 1.00 9.82 N +ATOM 447 CA GLU A 83 25.914 55.856 50.588 1.00 7.94 C +ATOM 448 C GLU A 83 27.058 56.650 49.983 1.00 6.47 C +ATOM 449 O GLU A 83 27.740 57.407 50.680 1.00 8.54 O +ATOM 450 CB GLU A 83 24.581 56.433 50.104 1.00 10.55 C +ATOM 451 CG GLU A 83 24.302 57.853 50.567 1.00 13.76 C +ATOM 452 CD GLU A 83 22.953 58.361 50.086 1.00 18.90 C +ATOM 453 OE1 GLU A 83 21.932 57.746 50.435 1.00 16.77 O +ATOM 454 OE2 GLU A 83 22.916 59.380 49.364 1.00 20.95 O +ATOM 455 N ALA A 84 27.257 56.452 48.687 1.00 10.25 N +ATOM 456 CA ALA A 84 28.262 57.164 47.921 1.00 10.26 C +ATOM 457 C ALA A 84 27.732 57.279 46.498 1.00 11.32 C +ATOM 458 O ALA A 84 26.842 56.521 46.099 1.00 10.20 O +ATOM 459 CB ALA A 84 29.572 56.412 47.932 1.00 10.63 C +ATOM 460 N AARG A 85 28.264 58.231 45.736 0.60 12.56 N +ATOM 461 N BARG A 85 28.307 58.208 45.739 0.40 12.37 N +ATOM 462 CA AARG A 85 27.807 58.464 44.366 0.60 11.89 C +ATOM 463 CA BARG A 85 27.858 58.484 44.381 0.40 12.13 C +ATOM 464 C AARG A 85 28.976 58.449 43.394 0.60 12.31 C +ATOM 465 C BARG A 85 29.008 58.429 43.389 0.40 12.22 C +ATOM 466 O AARG A 85 30.094 58.814 43.758 0.60 12.53 O +ATOM 467 O BARG A 85 30.163 58.723 43.736 0.40 13.03 O +ATOM 468 CB AARG A 85 27.049 59.791 44.265 0.60 13.54 C +ATOM 469 CB BARG A 85 27.140 59.842 44.324 0.40 13.21 C +ATOM 470 CG AARG A 85 25.739 59.779 45.010 0.60 17.78 C +ATOM 471 CG BARG A 85 25.837 59.843 45.100 0.40 17.18 C +ATOM 472 CD AARG A 85 25.007 61.117 44.946 0.60 19.50 C +ATOM 473 CD BARG A 85 25.172 61.212 45.135 0.40 19.21 C +ATOM 474 NE AARG A 85 23.616 60.925 45.343 0.60 21.85 N +ATOM 475 NE BARG A 85 24.061 61.178 46.093 0.40 22.87 N +ATOM 476 CZ AARG A 85 23.216 60.759 46.603 0.60 22.47 C +ATOM 477 CZ BARG A 85 22.784 61.015 45.745 0.40 23.20 C +ATOM 478 NH1AARG A 85 24.099 60.780 47.602 0.60 16.37 N +ATOM 479 NH1BARG A 85 22.445 60.904 44.461 0.40 21.48 N +ATOM 480 NH2AARG A 85 21.931 60.578 46.869 0.60 24.04 N +ATOM 481 NH2BARG A 85 21.840 60.984 46.672 0.40 25.13 N +ATOM 482 N PHE A 86 28.692 58.029 42.161 1.00 9.52 N +ATOM 483 CA PHE A 86 29.671 57.973 41.081 1.00 11.53 C +ATOM 484 C PHE A 86 28.978 58.546 39.832 1.00 14.88 C +ATOM 485 O PHE A 86 27.965 58.015 39.374 1.00 11.44 O +ATOM 486 CB PHE A 86 30.111 56.517 40.797 1.00 12.14 C +ATOM 487 CG PHE A 86 30.695 55.785 41.999 1.00 10.39 C +ATOM 488 CD1 PHE A 86 29.863 55.123 42.909 1.00 9.16 C +ATOM 489 CD2 PHE A 86 32.077 55.717 42.196 1.00 11.54 C +ATOM 490 CE1 PHE A 86 30.397 54.435 43.998 1.00 11.38 C +ATOM 491 CE2 PHE A 86 32.607 55.034 43.280 1.00 9.76 C +ATOM 492 CZ PHE A 86 31.762 54.399 44.186 1.00 8.15 C +ATOM 493 N ARG A 87 29.533 59.613 39.273 1.00 14.95 N +ATOM 494 CA ARG A 87 28.930 60.268 38.111 1.00 16.72 C +ATOM 495 C ARG A 87 29.763 60.034 36.850 1.00 18.20 C +ATOM 496 O ARG A 87 30.996 60.113 36.883 1.00 17.22 O +ATOM 497 CB ARG A 87 28.784 61.770 38.374 1.00 18.83 C +ATOM 498 CG ARG A 87 28.329 62.606 37.181 1.00 19.07 C +ATOM 499 CD ARG A 87 28.310 64.087 37.533 1.00 25.16 C +ATOM 500 NE ARG A 87 27.806 64.904 36.435 1.00 30.44 N +ATOM 501 CZ ARG A 87 26.604 65.476 36.405 1.00 34.36 C +ATOM 502 NH1 ARG A 87 25.762 65.339 37.429 1.00 33.05 N +ATOM 503 NH2 ARG A 87 26.250 66.197 35.346 1.00 31.90 N +ATOM 504 N ILE A 88 29.087 59.697 35.751 1.00 15.06 N +ATOM 505 CA ILE A 88 29.691 59.714 34.424 1.00 13.46 C +ATOM 506 C ILE A 88 29.111 60.951 33.741 1.00 16.36 C +ATOM 507 O ILE A 88 27.893 61.029 33.505 1.00 14.05 O +ATOM 508 CB ILE A 88 29.362 58.438 33.608 1.00 8.76 C +ATOM 509 CG1 ILE A 88 29.964 57.204 34.301 1.00 11.86 C +ATOM 510 CG2 ILE A 88 29.880 58.568 32.171 1.00 6.90 C +ATOM 511 CD1 ILE A 88 29.514 55.871 33.695 1.00 13.67 C +ATOM 512 N ASP A 89 29.972 61.929 33.455 1.00 15.50 N +ATOM 513 CA ASP A 89 29.501 63.241 32.996 1.00 20.03 C +ATOM 514 C ASP A 89 28.887 63.198 31.607 1.00 16.91 C +ATOM 515 O ASP A 89 27.850 63.799 31.365 1.00 17.02 O +ATOM 516 CB ASP A 89 30.622 64.288 33.048 1.00 26.93 C +ATOM 517 CG ASP A 89 30.934 64.745 34.464 1.00 38.09 C +ATOM 518 OD1 ASP A 89 30.022 64.712 35.322 1.00 42.05 O +ATOM 519 OD2 ASP A 89 32.092 65.145 34.717 1.00 42.91 O +ATOM 520 N SER A 90 29.537 62.484 30.700 1.00 18.88 N +ATOM 521 CA SER A 90 29.085 62.401 29.321 1.00 15.84 C +ATOM 522 C SER A 90 29.159 60.953 28.851 1.00 17.02 C +ATOM 523 O SER A 90 30.223 60.475 28.437 1.00 15.52 O +ATOM 524 CB SER A 90 29.964 63.280 28.432 1.00 18.17 C +ATOM 525 OG SER A 90 29.593 63.164 27.069 1.00 20.64 O +ATOM 526 N VAL A 91 28.025 60.264 28.915 1.00 14.53 N +ATOM 527 CA VAL A 91 27.951 58.856 28.546 1.00 16.99 C +ATOM 528 C VAL A 91 28.317 58.640 27.067 1.00 16.03 C +ATOM 529 O VAL A 91 27.901 59.405 26.197 1.00 14.88 O +ATOM 530 CB VAL A 91 26.538 58.292 28.854 1.00 18.63 C +ATOM 531 CG1 VAL A 91 26.312 56.949 28.177 1.00 20.95 C +ATOM 532 CG2 VAL A 91 26.321 58.195 30.375 1.00 11.46 C +ATOM 533 N SER A 92 29.127 57.619 26.795 1.00 16.52 N +ATOM 534 CA SER A 92 29.395 57.205 25.414 1.00 19.97 C +ATOM 535 C SER A 92 28.906 55.775 25.237 1.00 17.72 C +ATOM 536 O SER A 92 28.523 55.128 26.211 1.00 15.15 O +ATOM 537 CB SER A 92 30.886 57.309 25.088 1.00 25.72 C +ATOM 538 OG SER A 92 31.623 56.366 25.841 1.00 26.34 O +ATOM 539 N GLU A 93 28.920 55.271 24.008 1.00 16.92 N +ATOM 540 CA GLU A 93 28.500 53.886 23.772 1.00 17.53 C +ATOM 541 C GLU A 93 29.333 52.870 24.579 1.00 15.77 C +ATOM 542 O GLU A 93 28.827 51.808 24.974 1.00 16.03 O +ATOM 543 CB GLU A 93 28.522 53.540 22.272 1.00 18.01 C +ATOM 544 CG GLU A 93 27.651 54.447 21.390 1.00 25.66 C +ATOM 545 CD GLU A 93 26.149 54.187 21.532 1.00 32.92 C +ATOM 546 OE1 GLU A 93 25.755 53.124 22.061 1.00 34.02 O +ATOM 547 OE2 GLU A 93 25.357 55.049 21.102 1.00 38.86 O +ATOM 548 N GLY A 94 30.605 53.195 24.804 1.00 12.09 N +ATOM 549 CA GLY A 94 31.474 52.353 25.604 1.00 13.61 C +ATOM 550 C GLY A 94 31.047 52.212 27.057 1.00 14.13 C +ATOM 551 O GLY A 94 31.487 51.285 27.743 1.00 20.51 O +ATOM 552 N ASN A 95 30.193 53.115 27.537 1.00 14.20 N +ATOM 553 CA ASN A 95 29.675 53.016 28.912 1.00 14.19 C +ATOM 554 C ASN A 95 28.508 52.029 29.112 1.00 15.41 C +ATOM 555 O ASN A 95 28.130 51.730 30.249 1.00 15.84 O +ATOM 556 CB ASN A 95 29.275 54.387 29.467 1.00 15.62 C +ATOM 557 CG ASN A 95 30.463 55.290 29.709 1.00 12.69 C +ATOM 558 OD1 ASN A 95 30.467 56.433 29.283 1.00 13.72 O +ATOM 559 ND2 ASN A 95 31.478 54.779 30.398 1.00 14.93 N +ATOM 560 N ALA A 96 27.932 51.549 28.013 1.00 14.87 N +ATOM 561 CA ALA A 96 26.893 50.532 28.094 1.00 14.85 C +ATOM 562 C ALA A 96 27.432 49.227 28.717 1.00 16.62 C +ATOM 563 O ALA A 96 28.576 48.820 28.477 1.00 11.88 O +ATOM 564 CB ALA A 96 26.287 50.274 26.717 1.00 10.46 C +ATOM 565 N GLY A 97 26.604 48.590 29.538 1.00 13.47 N +ATOM 566 CA GLY A 97 26.975 47.336 30.143 1.00 13.69 C +ATOM 567 C GLY A 97 26.586 47.275 31.601 1.00 10.88 C +ATOM 568 O GLY A 97 25.941 48.190 32.112 1.00 12.16 O +ATOM 569 N PRO A 98 26.958 46.174 32.268 1.00 10.69 N +ATOM 570 CA PRO A 98 26.565 45.943 33.660 1.00 9.41 C +ATOM 571 C PRO A 98 27.388 46.762 34.651 1.00 5.37 C +ATOM 572 O PRO A 98 28.587 46.912 34.454 1.00 9.69 O +ATOM 573 CB PRO A 98 26.810 44.433 33.860 1.00 10.11 C +ATOM 574 CG PRO A 98 27.071 43.872 32.465 1.00 11.59 C +ATOM 575 CD PRO A 98 27.656 45.012 31.691 1.00 12.84 C +ATOM 576 N TYR A 99 26.718 47.280 35.679 1.00 5.92 N +ATOM 577 CA TYR A 99 27.332 47.994 36.802 1.00 8.62 C +ATOM 578 C TYR A 99 26.835 47.386 38.121 1.00 12.21 C +ATOM 579 O TYR A 99 25.649 47.051 38.252 1.00 8.78 O +ATOM 580 CB TYR A 99 26.973 49.497 36.777 1.00 8.79 C +ATOM 581 CG TYR A 99 27.619 50.287 35.647 1.00 10.56 C +ATOM 582 CD1 TYR A 99 27.079 50.266 34.363 1.00 10.65 C +ATOM 583 CD2 TYR A 99 28.777 51.031 35.861 1.00 9.66 C +ATOM 584 CE1 TYR A 99 27.675 50.969 33.324 1.00 10.62 C +ATOM 585 CE2 TYR A 99 29.366 51.747 34.839 1.00 10.26 C +ATOM 586 CZ TYR A 99 28.819 51.699 33.563 1.00 11.53 C +ATOM 587 OH TYR A 99 29.395 52.389 32.535 1.00 10.05 O +ATOM 588 N ARG A 100 27.736 47.274 39.095 1.00 9.32 N +ATOM 589 CA ARG A 100 27.400 46.784 40.432 1.00 10.51 C +ATOM 590 C ARG A 100 28.114 47.643 41.479 1.00 9.99 C +ATOM 591 O ARG A 100 29.099 48.326 41.176 1.00 7.17 O +ATOM 592 CB ARG A 100 27.809 45.309 40.634 1.00 4.47 C +ATOM 593 CG ARG A 100 27.069 44.281 39.754 1.00 6.18 C +ATOM 594 CD ARG A 100 27.731 42.898 39.817 1.00 6.18 C +ATOM 595 NE ARG A 100 27.068 41.901 38.967 1.00 8.69 N +ATOM 596 CZ ARG A 100 27.244 41.790 37.647 1.00 10.94 C +ATOM 597 NH1 ARG A 100 28.048 42.636 37.002 1.00 6.42 N +ATOM 598 NH2 ARG A 100 26.589 40.851 36.956 1.00 7.12 N +ATOM 599 N ACYS A 101 27.581 47.619 42.703 0.71 12.53 N +ATOM 600 N BCYS A 101 27.611 47.587 42.708 0.29 11.65 N +ATOM 601 CA ACYS A 101 28.196 48.249 43.869 0.71 7.80 C +ATOM 602 CA BCYS A 101 28.238 48.246 43.840 0.29 9.30 C +ATOM 603 C ACYS A 101 28.753 47.137 44.761 0.71 11.20 C +ATOM 604 C BCYS A 101 28.727 47.165 44.792 0.29 9.99 C +ATOM 605 O ACYS A 101 28.204 46.032 44.823 0.71 9.27 O +ATOM 606 O BCYS A 101 28.108 46.106 44.923 0.29 10.03 O +ATOM 607 CB ACYS A 101 27.151 49.082 44.663 0.71 4.57 C +ATOM 608 CB BCYS A 101 27.237 49.165 44.556 0.29 9.55 C +ATOM 609 SG ACYS A 101 26.523 50.551 43.813 0.71 12.59 S +ATOM 610 SG BCYS A 101 27.986 50.467 45.577 0.29 67.39 S +ATOM 611 N ILE A 102 29.848 47.426 45.448 1.00 8.32 N +ATOM 612 CA ILE A 102 30.359 46.514 46.449 1.00 11.57 C +ATOM 613 C ILE A 102 30.947 47.455 47.517 1.00 8.39 C +ATOM 614 O ILE A 102 31.381 48.561 47.190 1.00 8.87 O +ATOM 615 CB ILE A 102 31.358 45.489 45.801 1.00 15.76 C +ATOM 616 CG1 ILE A 102 31.689 44.340 46.744 1.00 12.13 C +ATOM 617 CG2 ILE A 102 32.633 46.172 45.295 1.00 17.07 C +ATOM 618 CD1 ILE A 102 32.663 43.365 46.139 1.00 14.05 C +ATOM 619 N TYR A 103 30.873 47.077 48.785 1.00 7.00 N +ATOM 620 CA TYR A 103 31.423 47.942 49.828 1.00 12.20 C +ATOM 621 C TYR A 103 32.403 47.260 50.780 1.00 16.76 C +ATOM 622 O TYR A 103 32.416 46.038 50.932 1.00 11.01 O +ATOM 623 CB TYR A 103 30.323 48.673 50.622 1.00 12.49 C +ATOM 624 CG TYR A 103 29.432 47.805 51.491 1.00 13.15 C +ATOM 625 CD1 TYR A 103 28.175 47.400 51.036 1.00 10.74 C +ATOM 626 CD2 TYR A 103 29.822 47.423 52.773 1.00 13.68 C +ATOM 627 CE1 TYR A 103 27.337 46.629 51.824 1.00 10.68 C +ATOM 628 CE2 TYR A 103 28.992 46.639 53.571 1.00 16.21 C +ATOM 629 CZ TYR A 103 27.743 46.249 53.080 1.00 15.10 C +ATOM 630 OH TYR A 103 26.901 45.486 53.839 1.00 15.25 O +ATOM 631 N TYR A 104 33.231 48.085 51.405 1.00 12.34 N +ATOM 632 CA TYR A 104 34.165 47.629 52.412 1.00 14.05 C +ATOM 633 C TYR A 104 33.713 48.166 53.764 1.00 14.80 C +ATOM 634 O TYR A 104 33.740 49.362 54.017 1.00 15.35 O +ATOM 635 CB TYR A 104 35.574 48.096 52.067 1.00 19.33 C +ATOM 636 CG TYR A 104 36.631 47.578 53.012 1.00 31.48 C +ATOM 637 CD1 TYR A 104 36.759 46.216 53.260 1.00 31.33 C +ATOM 638 CD2 TYR A 104 37.504 48.447 53.649 1.00 41.17 C +ATOM 639 CE1 TYR A 104 37.714 45.740 54.120 1.00 38.67 C +ATOM 640 CE2 TYR A 104 38.467 47.976 54.509 1.00 44.33 C +ATOM 641 CZ TYR A 104 38.565 46.623 54.741 1.00 45.52 C +ATOM 642 OH TYR A 104 39.525 46.150 55.602 1.00 54.72 O +ATOM 643 N LYS A 105 33.250 47.266 54.616 1.00 17.41 N +ATOM 644 CA LYS A 105 32.960 47.596 56.011 1.00 20.53 C +ATOM 645 C LYS A 105 33.794 46.630 56.840 1.00 30.48 C +ATOM 646 O LYS A 105 33.386 45.487 57.031 1.00 31.96 O +ATOM 647 CB LYS A 105 31.458 47.429 56.305 1.00 16.27 C +ATOM 648 CG LYS A 105 31.037 47.666 57.756 1.00 16.49 C +ATOM 649 CD LYS A 105 29.507 47.614 57.928 1.00 16.73 C +ATOM 650 CE LYS A 105 29.086 48.178 59.296 1.00 21.98 C +ATOM 651 NZ LYS A 105 27.613 48.095 59.594 1.00 21.98 N +ATOM 652 N PRO A 106 34.990 47.064 57.287 1.00 39.21 N +ATOM 653 CA PRO A 106 35.881 46.132 57.992 1.00 49.44 C +ATOM 654 C PRO A 106 35.086 45.229 58.935 1.00 55.85 C +ATOM 655 O PRO A 106 34.188 45.710 59.636 1.00 55.89 O +ATOM 656 CB PRO A 106 36.818 47.063 58.765 1.00 51.12 C +ATOM 657 CG PRO A 106 36.901 48.294 57.891 1.00 47.13 C +ATOM 658 CD PRO A 106 35.534 48.437 57.254 1.00 43.30 C +ATOM 659 N PRO A 107 35.429 43.931 58.974 1.00 58.27 N +ATOM 660 CA PRO A 107 36.683 43.371 58.448 1.00 56.63 C +ATOM 661 C PRO A 107 36.709 43.104 56.941 1.00 49.71 C +ATOM 662 O PRO A 107 37.795 42.966 56.370 1.00 47.55 O +ATOM 663 CB PRO A 107 36.793 42.020 59.186 1.00 57.32 C +ATOM 664 CG PRO A 107 35.519 41.892 60.044 1.00 55.21 C +ATOM 665 CD PRO A 107 34.543 42.874 59.490 1.00 55.92 C +ATOM 666 N LYS A 108 35.540 43.038 56.309 1.00 41.51 N +ATOM 667 CA LYS A 108 35.436 42.409 54.993 1.00 29.78 C +ATOM 668 C LYS A 108 34.733 43.241 53.908 1.00 21.27 C +ATOM 669 O LYS A 108 34.145 44.296 54.188 1.00 17.94 O +ATOM 670 CB LYS A 108 34.751 41.036 55.134 1.00 35.17 C +ATOM 671 CG LYS A 108 33.399 41.067 55.856 1.00 41.47 C +ATOM 672 CD LYS A 108 32.761 39.684 55.962 1.00 49.77 C +ATOM 673 CE LYS A 108 31.353 39.745 56.576 1.00 55.15 C +ATOM 674 NZ LYS A 108 31.346 40.158 58.021 1.00 54.69 N +ATOM 675 N TRP A 109 34.832 42.754 52.670 1.00 19.14 N +ATOM 676 CA TRP A 109 34.044 43.267 51.559 1.00 17.50 C +ATOM 677 C TRP A 109 32.702 42.554 51.553 1.00 15.51 C +ATOM 678 O TRP A 109 32.600 41.390 51.971 1.00 14.55 O +ATOM 679 CB TRP A 109 34.760 43.076 50.218 1.00 19.17 C +ATOM 680 CG TRP A 109 35.951 44.004 50.013 1.00 21.44 C +ATOM 681 CD1 TRP A 109 37.236 43.781 50.412 1.00 22.75 C +ATOM 682 CD2 TRP A 109 35.953 45.287 49.356 1.00 20.72 C +ATOM 683 NE1 TRP A 109 38.034 44.836 50.047 1.00 20.42 N +ATOM 684 CE2 TRP A 109 37.276 45.769 49.399 1.00 20.34 C +ATOM 685 CE3 TRP A 109 34.971 46.064 48.735 1.00 19.62 C +ATOM 686 CZ2 TRP A 109 37.636 47.008 48.849 1.00 16.96 C +ATOM 687 CZ3 TRP A 109 35.331 47.293 48.197 1.00 18.84 C +ATOM 688 CH2 TRP A 109 36.653 47.753 48.259 1.00 16.24 C +ATOM 689 N SER A 110 31.680 43.275 51.097 1.00 15.00 N +ATOM 690 CA SER A 110 30.327 42.767 50.961 1.00 11.78 C +ATOM 691 C SER A 110 30.221 41.911 49.706 1.00 10.95 C +ATOM 692 O SER A 110 31.140 41.863 48.894 1.00 13.04 O +ATOM 693 CB SER A 110 29.334 43.937 50.859 1.00 9.90 C +ATOM 694 OG SER A 110 29.409 44.573 49.583 1.00 8.28 O +ATOM 695 N GLU A 111 29.088 41.243 49.554 1.00 12.19 N +ATOM 696 CA GLU A 111 28.718 40.666 48.286 1.00 14.05 C +ATOM 697 C GLU A 111 28.419 41.786 47.305 1.00 14.57 C +ATOM 698 O GLU A 111 28.153 42.933 47.687 1.00 13.73 O +ATOM 699 CB GLU A 111 27.471 39.797 48.440 1.00 20.16 C +ATOM 700 CG GLU A 111 27.756 38.413 49.021 1.00 30.78 C +ATOM 701 CD GLU A 111 26.488 37.643 49.385 1.00 29.33 C +ATOM 702 OE1 GLU A 111 25.400 38.267 49.417 1.00 25.49 O +ATOM 703 OE2 GLU A 111 26.595 36.421 49.655 1.00 32.62 O +ATOM 704 N GLN A 112 28.438 41.440 46.032 1.00 12.45 N +ATOM 705 CA GLN A 112 28.106 42.400 45.008 1.00 10.71 C +ATOM 706 C GLN A 112 26.606 42.642 45.009 1.00 9.16 C +ATOM 707 O GLN A 112 25.815 41.726 45.245 1.00 6.78 O +ATOM 708 CB GLN A 112 28.555 41.885 43.639 1.00 16.47 C +ATOM 709 CG GLN A 112 30.070 41.829 43.427 1.00 20.00 C +ATOM 710 CD GLN A 112 30.421 41.123 42.112 1.00 21.65 C +ATOM 711 OE1 GLN A 112 30.091 39.954 41.911 1.00 25.97 O +ATOM 712 NE2 GLN A 112 31.077 41.835 41.216 1.00 17.03 N +ATOM 713 N SER A 113 26.233 43.887 44.731 1.00 9.16 N +ATOM 714 CA SER A 113 24.834 44.258 44.558 1.00 11.54 C +ATOM 715 C SER A 113 24.305 43.570 43.317 1.00 10.82 C +ATOM 716 O SER A 113 25.085 43.106 42.467 1.00 6.78 O +ATOM 717 CB SER A 113 24.701 45.772 44.373 1.00 7.63 C +ATOM 718 OG SER A 113 25.179 46.197 43.101 1.00 7.53 O +ATOM 719 N ASP A 114 22.981 43.505 43.213 1.00 13.19 N +ATOM 720 CA ASP A 114 22.360 43.180 41.942 1.00 12.70 C +ATOM 721 C ASP A 114 22.908 44.152 40.897 1.00 8.26 C +ATOM 722 O ASP A 114 23.198 45.325 41.200 1.00 12.53 O +ATOM 723 CB ASP A 114 20.842 43.322 42.038 1.00 15.29 C +ATOM 724 CG ASP A 114 20.199 42.195 42.820 1.00 24.13 C +ATOM 725 OD1 ASP A 114 20.822 41.708 43.784 1.00 23.37 O +ATOM 726 OD2 ASP A 114 19.066 41.801 42.473 1.00 30.29 O +ATOM 727 N TYR A 115 23.048 43.686 39.666 1.00 8.73 N +ATOM 728 CA TYR A 115 23.536 44.560 38.607 1.00 8.70 C +ATOM 729 C TYR A 115 22.456 45.487 38.037 1.00 9.23 C +ATOM 730 O TYR A 115 21.238 45.220 38.145 1.00 10.25 O +ATOM 731 CB TYR A 115 24.218 43.773 37.477 1.00 7.69 C +ATOM 732 CG TYR A 115 23.265 42.976 36.606 1.00 7.43 C +ATOM 733 CD1 TYR A 115 23.181 41.590 36.738 1.00 9.37 C +ATOM 734 CD2 TYR A 115 22.477 43.600 35.631 1.00 9.70 C +ATOM 735 CE1 TYR A 115 22.330 40.836 35.955 1.00 15.39 C +ATOM 736 CE2 TYR A 115 21.607 42.842 34.815 1.00 13.00 C +ATOM 737 CZ TYR A 115 21.544 41.460 34.993 1.00 15.69 C +ATOM 738 OH TYR A 115 20.710 40.674 34.224 1.00 13.80 O +ATOM 739 N LEU A 116 22.942 46.589 37.471 1.00 8.57 N +ATOM 740 CA LEU A 116 22.128 47.551 36.758 1.00 15.39 C +ATOM 741 C LEU A 116 22.687 47.560 35.340 1.00 14.50 C +ATOM 742 O LEU A 116 23.909 47.611 35.148 1.00 13.82 O +ATOM 743 CB LEU A 116 22.280 48.905 37.438 1.00 16.88 C +ATOM 744 CG LEU A 116 21.243 50.016 37.270 1.00 22.84 C +ATOM 745 CD1 LEU A 116 21.156 50.857 38.537 1.00 19.87 C +ATOM 746 CD2 LEU A 116 21.653 50.898 36.104 1.00 24.08 C +ATOM 747 N GLU A 117 21.817 47.496 34.337 1.00 9.41 N +ATOM 748 CA GLU A 117 22.304 47.497 32.971 1.00 12.65 C +ATOM 749 C GLU A 117 22.146 48.911 32.402 1.00 8.33 C +ATOM 750 O GLU A 117 21.022 49.408 32.224 1.00 10.05 O +ATOM 751 CB GLU A 117 21.568 46.436 32.128 1.00 11.10 C +ATOM 752 CG GLU A 117 22.110 46.269 30.698 1.00 12.98 C +ATOM 753 CD GLU A 117 23.282 45.291 30.595 1.00 18.71 C +ATOM 754 OE1 GLU A 117 23.557 44.567 31.591 1.00 19.74 O +ATOM 755 OE2 GLU A 117 23.924 45.255 29.515 1.00 18.49 O +ATOM 756 N LEU A 118 23.286 49.567 32.176 1.00 9.46 N +ATOM 757 CA LEU A 118 23.313 50.887 31.557 1.00 12.68 C +ATOM 758 C LEU A 118 23.187 50.686 30.056 1.00 12.30 C +ATOM 759 O LEU A 118 23.938 49.916 29.451 1.00 11.04 O +ATOM 760 CB LEU A 118 24.604 51.639 31.888 1.00 12.28 C +ATOM 761 CG LEU A 118 24.614 53.126 31.497 1.00 15.55 C +ATOM 762 CD1 LEU A 118 23.550 53.927 32.280 1.00 14.90 C +ATOM 763 CD2 LEU A 118 26.003 53.749 31.665 1.00 16.23 C +ATOM 764 N LEU A 119 22.197 51.345 29.473 1.00 12.64 N +ATOM 765 CA LEU A 119 21.990 51.287 28.034 1.00 16.51 C +ATOM 766 C LEU A 119 22.033 52.689 27.491 1.00 12.34 C +ATOM 767 O LEU A 119 21.540 53.623 28.117 1.00 13.92 O +ATOM 768 CB LEU A 119 20.662 50.602 27.684 1.00 16.07 C +ATOM 769 CG LEU A 119 20.494 49.141 28.135 1.00 15.25 C +ATOM 770 CD1 LEU A 119 19.065 48.689 27.920 1.00 16.65 C +ATOM 771 CD2 LEU A 119 21.486 48.178 27.475 1.00 14.47 C +ATOM 772 N VAL A 120 22.649 52.829 26.327 1.00 14.96 N +ATOM 773 CA VAL A 120 22.753 54.122 25.686 1.00 23.40 C +ATOM 774 C VAL A 120 21.627 54.271 24.652 1.00 27.07 C +ATOM 775 O VAL A 120 21.311 53.336 23.914 1.00 24.25 O +ATOM 776 CB VAL A 120 24.150 54.323 25.053 1.00 21.34 C +ATOM 777 CG1 VAL A 120 24.238 55.677 24.374 1.00 24.09 C +ATOM 778 CG2 VAL A 120 25.241 54.181 26.130 1.00 25.23 C +ATOM 779 N LYS A 121 21.004 55.442 24.648 1.00 32.95 N +ATOM 780 CA LYS A 121 19.961 55.790 23.697 1.00 41.74 C +ATOM 781 C LYS A 121 20.530 56.910 22.810 1.00 50.80 C +ATOM 782 O LYS A 121 20.816 58.007 23.298 1.00 44.83 O +ATOM 783 CB LYS A 121 18.740 56.264 24.484 1.00 42.03 C +ATOM 784 CG LYS A 121 17.534 56.667 23.678 1.00 48.13 C +ATOM 785 CD LYS A 121 16.442 57.205 24.603 1.00 54.33 C +ATOM 786 CE LYS A 121 15.262 57.788 23.821 1.00 59.08 C +ATOM 787 NZ LYS A 121 14.202 58.330 24.718 1.00 59.63 N +ATOM 788 N GLU A 122 20.733 56.636 21.521 1.00 59.15 N +ATOM 789 CA GLU A 122 21.406 57.607 20.654 1.00 64.27 C +ATOM 790 C GLU A 122 20.662 58.946 20.642 1.00 60.69 C +ATOM 791 O GLU A 122 21.250 59.991 20.343 1.00 60.04 O +ATOM 792 CB GLU A 122 21.591 57.057 19.234 1.00 74.77 C +ATOM 793 CG GLU A 122 22.576 57.853 18.362 1.00 84.98 C +ATOM 794 CD GLU A 122 21.931 59.034 17.637 1.00 93.10 C +ATOM 795 OE1 GLU A 122 20.711 58.978 17.367 1.00 96.34 O +ATOM 796 OE2 GLU A 122 22.647 60.015 17.329 1.00 94.61 O +ATOM 797 N ALA A 123 19.372 58.900 20.980 1.00 57.15 N +ATOM 798 CA ALA A 123 18.526 60.091 21.063 1.00 52.45 C +ATOM 799 C ALA A 123 17.639 60.062 22.311 1.00 50.45 C +ATOM 800 O ALA A 123 17.748 60.919 23.195 1.00 47.17 O +ATOM 801 CB ALA A 123 17.671 60.234 19.802 1.00 50.78 C Added: SwiftApps/modFTdock/input/3kgr-2.pdb =================================================================== --- SwiftApps/modFTdock/input/3kgr-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/3kgr-2.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,784 @@ +ATOM 1 N ASP B 25 27.465 41.334 19.766 1.00 34.52 N +ATOM 2 CA ASP B 25 26.584 41.455 20.926 1.00 45.81 C +ATOM 3 C ASP B 25 26.211 40.079 21.479 1.00 47.15 C +ATOM 4 O ASP B 25 25.220 39.477 21.062 1.00 50.34 O +ATOM 5 CB ASP B 25 25.320 42.245 20.566 1.00 52.22 C +ATOM 6 CG ASP B 25 25.618 43.688 20.200 1.00 62.49 C +ATOM 7 OD1 ASP B 25 26.272 44.382 21.010 1.00 65.40 O +ATOM 8 OD2 ASP B 25 25.201 44.131 19.104 1.00 66.59 O +ATOM 9 N LEU B 26 27.010 39.589 22.424 1.00 40.56 N +ATOM 10 CA LEU B 26 26.815 38.258 23.005 1.00 32.51 C +ATOM 11 C LEU B 26 25.693 38.216 24.048 1.00 32.56 C +ATOM 12 O LEU B 26 25.665 39.029 24.981 1.00 30.87 O +ATOM 13 CB LEU B 26 28.119 37.754 23.641 1.00 29.42 C +ATOM 14 CG LEU B 26 29.321 37.470 22.735 1.00 33.45 C +ATOM 15 CD1 LEU B 26 30.515 37.015 23.567 1.00 30.21 C +ATOM 16 CD2 LEU B 26 28.970 36.434 21.669 1.00 36.57 C +ATOM 17 N PRO B 27 24.774 37.247 23.900 1.00 30.93 N +ATOM 18 CA PRO B 27 23.676 37.004 24.847 1.00 31.12 C +ATOM 19 C PRO B 27 24.201 36.722 26.261 1.00 26.84 C +ATOM 20 O PRO B 27 25.207 36.038 26.372 1.00 23.46 O +ATOM 21 CB PRO B 27 23.010 35.727 24.303 1.00 31.42 C +ATOM 22 CG PRO B 27 23.487 35.571 22.921 1.00 32.66 C +ATOM 23 CD PRO B 27 24.813 36.249 22.814 1.00 32.32 C +ATOM 24 N ARG B 28 23.542 37.233 27.303 1.00 24.09 N +ATOM 25 CA ARG B 28 23.875 36.876 28.678 1.00 17.99 C +ATOM 26 C ARG B 28 23.528 35.393 28.892 1.00 12.24 C +ATOM 27 O ARG B 28 22.438 34.959 28.527 1.00 11.71 O +ATOM 28 CB ARG B 28 23.096 37.768 29.654 1.00 17.64 C +ATOM 29 CG ARG B 28 23.343 37.449 31.114 1.00 16.50 C +ATOM 30 CD ARG B 28 22.625 38.420 32.062 1.00 17.55 C +ATOM 31 NE ARG B 28 23.491 39.535 32.444 1.00 19.36 N +ATOM 32 CZ ARG B 28 23.296 40.795 32.077 1.00 21.09 C +ATOM 33 NH1 ARG B 28 22.249 41.115 31.323 1.00 18.97 N +ATOM 34 NH2 ARG B 28 24.147 41.736 32.471 1.00 17.81 N +ATOM 35 N PRO B 29 24.465 34.597 29.452 1.00 11.89 N +ATOM 36 CA PRO B 29 24.135 33.181 29.639 1.00 11.19 C +ATOM 37 C PRO B 29 23.144 33.020 30.803 1.00 16.68 C +ATOM 38 O PRO B 29 22.889 33.976 31.532 1.00 16.54 O +ATOM 39 CB PRO B 29 25.494 32.566 30.000 1.00 11.58 C +ATOM 40 CG PRO B 29 26.228 33.718 30.696 1.00 12.78 C +ATOM 41 CD PRO B 29 25.860 34.891 29.849 1.00 13.01 C +ATOM 42 N SER B 30 22.599 31.822 30.978 1.00 16.34 N +ATOM 43 CA SER B 30 21.822 31.514 32.171 1.00 12.13 C +ATOM 44 C SER B 30 22.552 30.495 33.052 1.00 12.08 C +ATOM 45 O SER B 30 23.397 29.731 32.579 1.00 13.30 O +ATOM 46 CB SER B 30 20.428 30.999 31.810 1.00 12.62 C +ATOM 47 OG SER B 30 20.518 29.718 31.234 1.00 12.11 O +ATOM 48 N ILE B 31 22.238 30.521 34.343 1.00 9.35 N +ATOM 49 CA ILE B 31 22.748 29.529 35.291 1.00 8.31 C +ATOM 50 C ILE B 31 21.586 28.853 36.026 1.00 13.75 C +ATOM 51 O ILE B 31 20.604 29.512 36.402 1.00 17.91 O +ATOM 52 CB ILE B 31 23.728 30.154 36.290 1.00 8.57 C +ATOM 53 CG1 ILE B 31 24.389 29.066 37.138 1.00 8.25 C +ATOM 54 CG2 ILE B 31 23.032 31.254 37.121 1.00 10.75 C +ATOM 55 CD1 ILE B 31 25.493 29.591 38.066 1.00 13.53 C +ATOM 56 N SER B 32 21.688 27.536 36.193 1.00 12.86 N +ATOM 57 CA SER B 32 20.693 26.754 36.917 1.00 13.67 C +ATOM 58 C SER B 32 21.411 25.821 37.889 1.00 12.11 C +ATOM 59 O SER B 32 22.564 25.451 37.665 1.00 14.84 O +ATOM 60 CB SER B 32 19.845 25.921 35.948 1.00 15.27 C +ATOM 61 OG SER B 32 19.173 26.738 35.009 1.00 18.73 O +ATOM 62 N ALA B 33 20.733 25.445 38.970 1.00 15.65 N +ATOM 63 CA ALA B 33 21.273 24.439 39.867 1.00 14.70 C +ATOM 64 C ALA B 33 20.401 23.188 39.896 1.00 19.32 C +ATOM 65 O ALA B 33 19.168 23.271 39.986 1.00 19.83 O +ATOM 66 CB ALA B 33 21.466 24.998 41.265 1.00 15.39 C +ATOM 67 N GLU B 34 21.051 22.031 39.804 1.00 18.90 N +ATOM 68 CA GLU B 34 20.376 20.749 39.932 1.00 17.55 C +ATOM 69 C GLU B 34 20.963 19.981 41.108 1.00 21.96 C +ATOM 70 O GLU B 34 22.155 19.724 41.139 1.00 16.98 O +ATOM 71 CB GLU B 34 20.550 19.972 38.642 1.00 18.62 C +ATOM 72 CG GLU B 34 20.094 20.788 37.458 1.00 20.20 C +ATOM 73 CD GLU B 34 20.130 20.020 36.170 1.00 24.25 C +ATOM 74 OE1 GLU B 34 20.731 18.919 36.153 1.00 27.52 O +ATOM 75 OE2 GLU B 34 19.557 20.525 35.178 1.00 22.39 O +ATOM 76 N PRO B 35 20.118 19.575 42.069 1.00 28.54 N +ATOM 77 CA PRO B 35 18.648 19.544 42.044 1.00 29.88 C +ATOM 78 C PRO B 35 18.005 20.904 42.236 1.00 27.42 C +ATOM 79 O PRO B 35 16.863 21.118 41.837 1.00 33.58 O +ATOM 80 CB PRO B 35 18.298 18.691 43.271 1.00 30.75 C +ATOM 81 CG PRO B 35 19.605 18.343 43.944 1.00 26.82 C +ATOM 82 CD PRO B 35 20.642 19.241 43.404 1.00 27.17 C +ATOM 83 N GLY B 36 18.735 21.800 42.880 1.00 19.91 N +ATOM 84 CA GLY B 36 18.191 23.072 43.293 1.00 20.36 C +ATOM 85 C GLY B 36 19.240 23.830 44.072 1.00 22.52 C +ATOM 86 O GLY B 36 20.396 23.412 44.127 1.00 16.37 O +ATOM 87 N THR B 37 18.825 24.935 44.685 1.00 25.35 N +ATOM 88 CA THR B 37 19.740 25.870 45.323 1.00 23.20 C +ATOM 89 C THR B 37 19.890 25.622 46.825 1.00 24.88 C +ATOM 90 O THR B 37 20.781 26.177 47.465 1.00 21.66 O +ATOM 91 CB THR B 37 19.250 27.305 45.105 1.00 26.07 C +ATOM 92 OG1 THR B 37 17.858 27.374 45.447 1.00 26.44 O +ATOM 93 CG2 THR B 37 19.436 27.711 43.641 1.00 19.56 C +ATOM 94 N VAL B 38 19.011 24.799 47.390 1.00 27.02 N +ATOM 95 CA VAL B 38 19.129 24.437 48.799 1.00 26.23 C +ATOM 96 C VAL B 38 19.564 22.972 48.899 1.00 22.98 C +ATOM 97 O VAL B 38 18.811 22.062 48.570 1.00 25.67 O +ATOM 98 CB VAL B 38 17.828 24.751 49.589 1.00 25.47 C +ATOM 99 CG1 VAL B 38 17.919 24.233 51.020 1.00 28.71 C +ATOM 100 CG2 VAL B 38 17.565 26.253 49.599 1.00 23.70 C +ATOM 101 N ILE B 39 20.804 22.762 49.329 1.00 26.40 N +ATOM 102 CA ILE B 39 21.432 21.443 49.302 1.00 20.64 C +ATOM 103 C ILE B 39 21.920 21.053 50.686 1.00 24.64 C +ATOM 104 O ILE B 39 22.601 21.835 51.343 1.00 28.78 O +ATOM 105 CB ILE B 39 22.664 21.423 48.362 1.00 15.74 C +ATOM 106 CG1 ILE B 39 22.308 21.976 46.985 1.00 16.65 C +ATOM 107 CG2 ILE B 39 23.242 20.027 48.271 1.00 16.94 C +ATOM 108 CD1 ILE B 39 21.344 21.123 46.192 1.00 15.73 C +ATOM 109 N PRO B 40 21.596 19.829 51.126 1.00 22.54 N +ATOM 110 CA PRO B 40 22.105 19.315 52.401 1.00 23.71 C +ATOM 111 C PRO B 40 23.620 19.146 52.366 1.00 24.74 C +ATOM 112 O PRO B 40 24.170 18.757 51.319 1.00 23.56 O +ATOM 113 CB PRO B 40 21.440 17.937 52.510 1.00 20.46 C +ATOM 114 CG PRO B 40 20.271 18.004 51.593 1.00 19.08 C +ATOM 115 CD PRO B 40 20.701 18.869 50.464 1.00 13.77 C +ATOM 116 N LEU B 41 24.281 19.455 53.484 1.00 26.49 N +ATOM 117 CA LEU B 41 25.715 19.210 53.628 1.00 26.93 C +ATOM 118 C LEU B 41 26.002 17.773 53.203 1.00 25.22 C +ATOM 119 O LEU B 41 25.279 16.851 53.611 1.00 32.60 O +ATOM 120 CB LEU B 41 26.141 19.388 55.090 1.00 31.55 C +ATOM 121 CG LEU B 41 27.655 19.472 55.348 1.00 34.84 C +ATOM 122 CD1 LEU B 41 28.148 20.889 55.034 1.00 34.86 C +ATOM 123 CD2 LEU B 41 28.046 19.040 56.790 1.00 24.38 C +ATOM 124 N GLY B 42 27.027 17.581 52.374 1.00 22.10 N +ATOM 125 CA GLY B 42 27.434 16.250 51.963 1.00 21.75 C +ATOM 126 C GLY B 42 26.793 15.819 50.665 1.00 22.20 C +ATOM 127 O GLY B 42 27.256 14.872 50.029 1.00 20.93 O +ATOM 128 N SER B 43 25.722 16.515 50.287 1.00 24.11 N +ATOM 129 CA SER B 43 25.005 16.240 49.045 1.00 22.28 C +ATOM 130 C SER B 43 25.649 16.959 47.866 1.00 18.60 C +ATOM 131 O SER B 43 26.474 17.852 48.041 1.00 16.07 O +ATOM 132 CB SER B 43 23.552 16.675 49.167 1.00 26.84 C +ATOM 133 OG SER B 43 22.814 15.700 49.864 1.00 39.16 O +ATOM 134 N HIS B 44 25.257 16.579 46.659 1.00 20.72 N +ATOM 135 CA HIS B 44 25.831 17.208 45.484 1.00 19.63 C +ATOM 136 C HIS B 44 24.911 18.273 44.907 1.00 19.35 C +ATOM 137 O HIS B 44 23.708 18.303 45.176 1.00 23.32 O +ATOM 138 CB HIS B 44 26.162 16.169 44.424 1.00 23.88 C +ATOM 139 CG HIS B 44 24.952 15.566 43.790 1.00 34.16 C +ATOM 140 ND1 HIS B 44 24.466 15.990 42.571 1.00 34.94 N +ATOM 141 CD2 HIS B 44 24.114 14.595 44.218 1.00 39.78 C +ATOM 142 CE1 HIS B 44 23.385 15.293 42.271 1.00 38.87 C +ATOM 143 NE2 HIS B 44 23.149 14.441 43.253 1.00 43.68 N +ATOM 144 N VAL B 45 25.505 19.153 44.112 1.00 18.16 N +ATOM 145 CA VAL B 45 24.772 20.144 43.343 1.00 18.91 C +ATOM 146 C VAL B 45 25.480 20.305 41.994 1.00 19.04 C +ATOM 147 O VAL B 45 26.709 20.248 41.920 1.00 16.95 O +ATOM 148 CB VAL B 45 24.648 21.506 44.088 1.00 14.15 C +ATOM 149 CG1 VAL B 45 26.021 22.197 44.264 1.00 12.02 C +ATOM 150 CG2 VAL B 45 23.664 22.427 43.363 1.00 16.75 C +ATOM 151 N THR B 46 24.705 20.458 40.924 1.00 13.90 N +ATOM 152 CA THR B 46 25.290 20.696 39.610 1.00 10.87 C +ATOM 153 C THR B 46 24.812 22.011 39.030 1.00 8.85 C +ATOM 154 O THR B 46 23.616 22.267 38.919 1.00 17.00 O +ATOM 155 CB THR B 46 25.016 19.536 38.631 1.00 14.34 C +ATOM 156 OG1 THR B 46 25.545 18.320 39.187 1.00 18.43 O +ATOM 157 CG2 THR B 46 25.668 19.800 37.276 1.00 13.31 C +ATOM 158 N PHE B 47 25.774 22.860 38.695 1.00 12.61 N +ATOM 159 CA PHE B 47 25.490 24.126 38.040 1.00 11.91 C +ATOM 160 C PHE B 47 25.557 23.916 36.537 1.00 12.88 C +ATOM 161 O PHE B 47 26.517 23.331 36.022 1.00 12.47 O +ATOM 162 CB PHE B 47 26.494 25.189 38.472 1.00 11.23 C +ATOM 163 CG PHE B 47 26.454 25.481 39.944 1.00 11.30 C +ATOM 164 CD1 PHE B 47 27.385 24.925 40.799 1.00 16.60 C +ATOM 165 CD2 PHE B 47 25.461 26.285 40.469 1.00 13.44 C +ATOM 166 CE1 PHE B 47 27.336 25.180 42.158 1.00 13.77 C +ATOM 167 CE2 PHE B 47 25.416 26.551 41.825 1.00 15.04 C +ATOM 168 CZ PHE B 47 26.351 25.998 42.662 1.00 15.84 C +ATOM 169 N VAL B 48 24.507 24.359 35.849 1.00 14.63 N +ATOM 170 CA VAL B 48 24.449 24.263 34.397 1.00 14.32 C +ATOM 171 C VAL B 48 24.467 25.667 33.799 1.00 13.61 C +ATOM 172 O VAL B 48 23.590 26.491 34.093 1.00 15.19 O +ATOM 173 CB VAL B 48 23.205 23.472 33.908 1.00 8.12 C +ATOM 174 CG1 VAL B 48 23.331 23.174 32.422 1.00 10.46 C +ATOM 175 CG2 VAL B 48 23.040 22.184 34.703 1.00 12.69 C +ATOM 176 N ACYS B 49 25.488 25.936 32.989 0.52 11.29 N +ATOM 177 N BCYS B 49 25.474 25.942 32.972 0.48 11.27 N +ATOM 178 CA ACYS B 49 25.606 27.198 32.276 0.52 10.74 C +ATOM 179 CA BCYS B 49 25.570 27.218 32.277 0.48 10.45 C +ATOM 180 C ACYS B 49 25.080 26.997 30.854 0.52 13.33 C +ATOM 181 C BCYS B 49 25.113 27.034 30.837 0.48 13.38 C +ATOM 182 O ACYS B 49 25.494 26.066 30.161 0.52 12.64 O +ATOM 183 O BCYS B 49 25.604 26.157 30.119 0.48 12.57 O +ATOM 184 CB ACYS B 49 27.071 27.659 32.242 0.52 12.81 C +ATOM 185 CB BCYS B 49 27.001 27.754 32.310 0.48 12.43 C +ATOM 186 SG ACYS B 49 27.883 27.995 33.859 0.52 7.55 S +ATOM 187 SG BCYS B 49 27.186 29.505 31.845 0.48 40.61 S +ATOM 188 N ARG B 50 24.159 27.857 30.425 1.00 12.99 N +ATOM 189 CA ARG B 50 23.607 27.777 29.072 1.00 12.71 C +ATOM 190 C ARG B 50 23.867 29.068 28.302 1.00 10.68 C +ATOM 191 O ARG B 50 23.686 30.169 28.824 1.00 13.53 O +ATOM 192 CB ARG B 50 22.118 27.439 29.100 1.00 10.43 C +ATOM 193 CG ARG B 50 21.826 26.052 29.630 1.00 11.00 C +ATOM 194 CD ARG B 50 20.333 25.766 29.690 1.00 15.66 C +ATOM 195 NE ARG B 50 20.076 24.368 30.061 1.00 17.91 N +ATOM 196 CZ ARG B 50 19.790 23.960 31.296 1.00 17.35 C +ATOM 197 NH1 ARG B 50 19.714 24.845 32.281 1.00 12.78 N +ATOM 198 NH2 ARG B 50 19.582 22.668 31.546 1.00 18.21 N +ATOM 199 N GLY B 51 24.308 28.925 27.061 1.00 11.99 N +ATOM 200 CA GLY B 51 24.616 30.069 26.230 1.00 9.45 C +ATOM 201 C GLY B 51 24.200 29.794 24.796 1.00 13.05 C +ATOM 202 O GLY B 51 23.468 28.826 24.514 1.00 11.61 O +ATOM 203 N PRO B 52 24.656 30.646 23.874 1.00 12.31 N +ATOM 204 CA PRO B 52 24.325 30.463 22.462 1.00 11.96 C +ATOM 205 C PRO B 52 25.150 29.329 21.883 1.00 12.38 C +ATOM 206 O PRO B 52 26.098 28.848 22.511 1.00 12.20 O +ATOM 207 CB PRO B 52 24.750 31.793 21.842 1.00 12.91 C +ATOM 208 CG PRO B 52 25.884 32.241 22.688 1.00 12.71 C +ATOM 209 CD PRO B 52 25.656 31.707 24.079 1.00 10.13 C +ATOM 210 N VAL B 53 24.795 28.892 20.684 1.00 17.19 N +ATOM 211 CA VAL B 53 25.645 27.948 19.978 1.00 20.25 C +ATOM 212 C VAL B 53 27.057 28.573 19.803 1.00 17.15 C +ATOM 213 O VAL B 53 27.204 29.808 19.777 1.00 17.33 O +ATOM 214 CB VAL B 53 24.984 27.526 18.647 1.00 19.93 C +ATOM 215 CG1 VAL B 53 24.805 28.731 17.729 1.00 20.47 C +ATOM 216 CG2 VAL B 53 25.787 26.426 17.982 1.00 23.08 C +ATOM 217 N GLY B 54 28.094 27.737 19.753 1.00 15.42 N +ATOM 218 CA GLY B 54 29.436 28.221 19.447 1.00 14.28 C +ATOM 219 C GLY B 54 30.315 28.727 20.589 1.00 11.79 C +ATOM 220 O GLY B 54 31.354 29.328 20.357 1.00 14.29 O +ATOM 221 N VAL B 55 29.911 28.492 21.827 1.00 15.62 N +ATOM 222 CA VAL B 55 30.756 28.857 22.966 1.00 16.46 C +ATOM 223 C VAL B 55 32.044 28.015 22.967 1.00 17.78 C +ATOM 224 O VAL B 55 32.017 26.816 22.682 1.00 19.28 O +ATOM 225 CB VAL B 55 29.994 28.669 24.299 1.00 15.03 C +ATOM 226 CG1 VAL B 55 30.946 28.719 25.488 1.00 10.61 C +ATOM 227 CG2 VAL B 55 28.854 29.694 24.421 1.00 13.08 C +ATOM 228 N GLN B 56 33.166 28.658 23.266 1.00 12.92 N +ATOM 229 CA GLN B 56 34.435 27.967 23.453 1.00 15.74 C +ATOM 230 C GLN B 56 34.640 27.526 24.910 1.00 17.46 C +ATOM 231 O GLN B 56 35.017 26.384 25.178 1.00 13.76 O +ATOM 232 CB GLN B 56 35.586 28.879 23.055 1.00 17.12 C +ATOM 233 CG GLN B 56 36.966 28.354 23.475 1.00 22.17 C +ATOM 234 CD GLN B 56 38.082 29.299 23.078 1.00 28.51 C +ATOM 235 OE1 GLN B 56 38.025 29.932 22.031 1.00 26.53 O +ATOM 236 NE2 GLN B 56 39.100 29.403 23.921 1.00 35.98 N +ATOM 237 N THR B 57 34.404 28.449 25.843 1.00 13.23 N +ATOM 238 CA THR B 57 34.675 28.208 27.256 1.00 13.61 C +ATOM 239 C THR B 57 33.521 28.682 28.136 1.00 10.58 C +ATOM 240 O THR B 57 33.019 29.784 27.945 1.00 10.13 O +ATOM 241 CB THR B 57 35.958 28.959 27.688 1.00 12.41 C +ATOM 242 OG1 THR B 57 37.065 28.477 26.922 1.00 15.02 O +ATOM 243 CG2 THR B 57 36.231 28.783 29.177 1.00 7.72 C +ATOM 244 N PHE B 58 33.101 27.848 29.084 1.00 9.23 N +ATOM 245 CA PHE B 58 32.203 28.297 30.143 1.00 7.00 C +ATOM 246 C PHE B 58 33.006 28.406 31.426 1.00 9.41 C +ATOM 247 O PHE B 58 33.863 27.561 31.717 1.00 10.71 O +ATOM 248 CB PHE B 58 31.022 27.351 30.364 1.00 9.53 C +ATOM 249 CG PHE B 58 29.881 27.559 29.417 1.00 12.32 C +ATOM 250 CD1 PHE B 58 28.990 28.612 29.594 1.00 15.18 C +ATOM 251 CD2 PHE B 58 29.680 26.688 28.359 1.00 16.69 C +ATOM 252 CE1 PHE B 58 27.913 28.793 28.718 1.00 16.17 C +ATOM 253 CE2 PHE B 58 28.619 26.869 27.479 1.00 15.71 C +ATOM 254 CZ PHE B 58 27.740 27.920 27.665 1.00 16.36 C +ATOM 255 N ARG B 59 32.704 29.439 32.200 1.00 12.66 N +ATOM 256 CA ARG B 59 33.341 29.636 33.490 1.00 8.82 C +ATOM 257 C ARG B 59 32.283 29.807 34.559 1.00 11.89 C +ATOM 258 O ARG B 59 31.369 30.618 34.418 1.00 10.30 O +ATOM 259 CB ARG B 59 34.246 30.867 33.453 1.00 7.86 C +ATOM 260 CG ARG B 59 34.792 31.251 34.823 1.00 10.42 C +ATOM 261 CD ARG B 59 35.896 32.299 34.736 1.00 13.64 C +ATOM 262 NE ARG B 59 37.062 31.847 33.955 1.00 16.76 N +ATOM 263 CZ ARG B 59 38.021 32.659 33.516 1.00 15.37 C +ATOM 264 NH1 ARG B 59 37.939 33.959 33.768 1.00 20.25 N +ATOM 265 NH2 ARG B 59 39.046 32.185 32.825 1.00 15.49 N +ATOM 266 N LEU B 60 32.409 29.023 35.622 1.00 8.73 N +ATOM 267 CA LEU B 60 31.588 29.194 36.803 1.00 9.54 C +ATOM 268 C LEU B 60 32.339 30.141 37.709 1.00 11.37 C +ATOM 269 O LEU B 60 33.492 29.889 38.048 1.00 10.39 O +ATOM 270 CB LEU B 60 31.392 27.856 37.536 1.00 9.97 C +ATOM 271 CG LEU B 60 30.512 27.890 38.795 1.00 10.01 C +ATOM 272 CD1 LEU B 60 29.056 28.202 38.419 1.00 10.03 C +ATOM 273 CD2 LEU B 60 30.626 26.577 39.570 1.00 10.27 C +ATOM 274 N GLU B 61 31.682 31.228 38.096 1.00 8.05 N +ATOM 275 CA GLU B 61 32.264 32.193 39.012 1.00 7.06 C +ATOM 276 C GLU B 61 31.680 32.061 40.399 1.00 9.97 C +ATOM 277 O GLU B 61 30.463 32.233 40.598 1.00 10.46 O +ATOM 278 CB GLU B 61 32.039 33.589 38.483 1.00 14.20 C +ATOM 279 CG GLU B 61 32.603 33.763 37.095 1.00 17.87 C +ATOM 280 CD GLU B 61 32.349 35.132 36.603 1.00 25.54 C +ATOM 281 OE1 GLU B 61 31.183 35.567 36.747 1.00 27.78 O +ATOM 282 OE2 GLU B 61 33.308 35.767 36.099 1.00 29.07 O +ATOM 283 N ARG B 62 32.554 31.730 41.352 1.00 7.40 N +ATOM 284 CA ARG B 62 32.172 31.522 42.750 1.00 9.22 C +ATOM 285 C ARG B 62 32.506 32.771 43.563 1.00 11.08 C +ATOM 286 O ARG B 62 33.678 33.030 43.886 1.00 8.67 O +ATOM 287 CB ARG B 62 32.920 30.327 43.349 1.00 10.06 C +ATOM 288 CG ARG B 62 32.910 29.059 42.529 1.00 11.40 C +ATOM 289 CD ARG B 62 33.371 27.909 43.432 1.00 14.05 C +ATOM 290 NE ARG B 62 33.513 26.647 42.710 1.00 20.04 N +ATOM 291 CZ ARG B 62 33.493 25.463 43.309 1.00 15.33 C +ATOM 292 NH1 ARG B 62 33.331 25.407 44.626 1.00 13.87 N +ATOM 293 NH2 ARG B 62 33.633 24.348 42.605 1.00 15.28 N +ATOM 294 N GLU B 63 31.485 33.555 43.884 1.00 11.11 N +ATOM 295 CA GLU B 63 31.737 34.882 44.440 1.00 12.78 C +ATOM 296 C GLU B 63 32.444 34.887 45.796 1.00 12.68 C +ATOM 297 O GLU B 63 33.329 35.705 46.025 1.00 16.01 O +ATOM 298 CB GLU B 63 30.467 35.737 44.526 1.00 11.48 C +ATOM 299 CG GLU B 63 30.809 37.151 45.000 1.00 11.54 C +ATOM 300 CD GLU B 63 29.644 38.114 44.962 1.00 16.92 C +ATOM 301 OE1 GLU B 63 28.598 37.761 44.389 1.00 15.16 O +ATOM 302 OE2 GLU B 63 29.799 39.232 45.501 1.00 20.16 O +ATOM 303 N SER B 64 32.056 33.984 46.686 1.00 9.13 N +ATOM 304 CA SER B 64 32.490 34.083 48.076 1.00 16.45 C +ATOM 305 C SER B 64 34.007 34.307 48.234 1.00 17.78 C +ATOM 306 O SER B 64 34.427 35.222 48.949 1.00 21.53 O +ATOM 307 CB SER B 64 32.010 32.882 48.898 1.00 21.50 C +ATOM 308 OG SER B 64 32.756 31.717 48.588 1.00 25.89 O +ATOM 309 N ARG B 65 34.824 33.496 47.568 1.00 14.14 N +ATOM 310 CA ARG B 65 36.273 33.609 47.734 1.00 20.57 C +ATOM 311 C ARG B 65 36.950 33.953 46.421 1.00 19.61 C +ATOM 312 O ARG B 65 38.149 33.727 46.253 1.00 15.79 O +ATOM 313 CB ARG B 65 36.867 32.321 48.327 1.00 28.07 C +ATOM 314 CG ARG B 65 36.435 32.035 49.756 1.00 29.64 C +ATOM 315 CD ARG B 65 36.918 33.122 50.690 1.00 37.75 C +ATOM 316 NE ARG B 65 36.359 32.984 52.032 1.00 48.79 N +ATOM 317 CZ ARG B 65 35.198 33.507 52.429 1.00 56.81 C +ATOM 318 NH1 ARG B 65 34.452 34.211 51.587 1.00 55.02 N +ATOM 319 NH2 ARG B 65 34.776 33.322 53.678 1.00 61.05 N +ATOM 320 N SER B 66 36.163 34.503 45.499 1.00 15.34 N +ATOM 321 CA SER B 66 36.648 34.924 44.181 1.00 13.29 C +ATOM 322 C SER B 66 37.404 33.823 43.464 1.00 14.01 C +ATOM 323 O SER B 66 38.518 34.043 42.982 1.00 14.70 O +ATOM 324 CB SER B 66 37.545 36.161 44.271 1.00 17.26 C +ATOM 325 OG SER B 66 36.779 37.340 44.407 1.00 22.64 O +ATOM 326 N THR B 67 36.814 32.638 43.405 1.00 9.58 N +ATOM 327 CA THR B 67 37.426 31.566 42.640 1.00 8.30 C +ATOM 328 C THR B 67 36.504 31.207 41.448 1.00 13.60 C +ATOM 329 O THR B 67 35.354 31.687 41.350 1.00 9.25 O +ATOM 330 CB THR B 67 37.747 30.355 43.534 1.00 8.63 C +ATOM 331 OG1 THR B 67 36.538 29.843 44.098 1.00 7.77 O +ATOM 332 CG2 THR B 67 38.724 30.753 44.677 1.00 15.04 C +ATOM 333 N TYR B 68 37.014 30.390 40.535 1.00 11.23 N +ATOM 334 CA TYR B 68 36.243 30.013 39.360 1.00 9.03 C +ATOM 335 C TYR B 68 36.606 28.605 38.882 1.00 11.64 C +ATOM 336 O TYR B 68 37.627 28.031 39.311 1.00 10.70 O +ATOM 337 CB TYR B 68 36.446 31.041 38.229 1.00 11.27 C +ATOM 338 CG TYR B 68 37.855 31.072 37.664 1.00 10.53 C +ATOM 339 CD1 TYR B 68 38.852 31.854 38.265 1.00 8.91 C +ATOM 340 CD2 TYR B 68 38.194 30.315 36.542 1.00 10.40 C +ATOM 341 CE1 TYR B 68 40.139 31.885 37.756 1.00 11.87 C +ATOM 342 CE2 TYR B 68 39.486 30.348 36.015 1.00 12.09 C +ATOM 343 CZ TYR B 68 40.450 31.131 36.624 1.00 15.87 C +ATOM 344 OH TYR B 68 41.732 31.156 36.113 1.00 15.12 O +ATOM 345 N ASN B 69 35.749 28.052 38.019 1.00 6.94 N +ATOM 346 CA ASN B 69 36.019 26.813 37.315 1.00 7.38 C +ATOM 347 C ASN B 69 35.774 27.074 35.855 1.00 10.93 C +ATOM 348 O ASN B 69 34.774 27.704 35.505 1.00 11.58 O +ATOM 349 CB ASN B 69 35.086 25.691 37.764 1.00 10.74 C +ATOM 350 CG ASN B 69 35.278 25.334 39.209 1.00 13.67 C +ATOM 351 OD1 ASN B 69 34.545 25.818 40.063 1.00 13.19 O +ATOM 352 ND2 ASN B 69 36.281 24.498 39.497 1.00 8.98 N +ATOM 353 N ASP B 70 36.698 26.615 35.012 1.00 8.38 N +ATOM 354 CA ASP B 70 36.583 26.740 33.552 1.00 8.32 C +ATOM 355 C ASP B 70 36.375 25.379 32.919 1.00 9.40 C +ATOM 356 O ASP B 70 36.919 24.368 33.398 1.00 10.00 O +ATOM 357 CB ASP B 70 37.877 27.313 32.957 1.00 17.24 C +ATOM 358 CG ASP B 70 37.947 28.815 33.025 1.00 18.75 C +ATOM 359 OD1 ASP B 70 37.158 29.411 33.763 1.00 14.38 O +ATOM 360 OD2 ASP B 70 38.808 29.402 32.335 1.00 25.62 O +ATOM 361 N THR B 71 35.622 25.351 31.823 1.00 10.67 N +ATOM 362 CA THR B 71 35.551 24.153 30.993 1.00 11.62 C +ATOM 363 C THR B 71 35.402 24.490 29.509 1.00 8.51 C +ATOM 364 O THR B 71 34.701 25.431 29.145 1.00 10.36 O +ATOM 365 CB THR B 71 34.436 23.144 31.445 1.00 13.12 C +ATOM 366 OG1 THR B 71 34.569 21.919 30.703 1.00 14.97 O +ATOM 367 CG2 THR B 71 33.051 23.723 31.228 1.00 11.22 C +ATOM 368 N GLU B 72 36.098 23.718 28.673 1.00 9.60 N +ATOM 369 CA GLU B 72 35.934 23.772 27.225 1.00 10.49 C +ATOM 370 C GLU B 72 35.096 22.601 26.761 1.00 9.67 C +ATOM 371 O GLU B 72 34.965 22.380 25.563 1.00 14.58 O +ATOM 372 CB GLU B 72 37.293 23.706 26.520 1.00 16.13 C +ATOM 373 CG GLU B 72 38.073 25.010 26.552 1.00 23.76 C +ATOM 374 CD GLU B 72 38.569 25.361 27.952 1.00 35.60 C +ATOM 375 OE1 GLU B 72 39.309 24.540 28.549 1.00 38.26 O +ATOM 376 OE2 GLU B 72 38.229 26.460 28.458 1.00 37.35 O +ATOM 377 N ASP B 73 34.562 21.835 27.706 1.00 10.65 N +ATOM 378 CA ASP B 73 33.726 20.674 27.372 1.00 15.17 C +ATOM 379 C ASP B 73 32.271 21.083 27.153 1.00 13.46 C +ATOM 380 O ASP B 73 31.406 20.888 28.001 1.00 15.75 O +ATOM 381 CB ASP B 73 33.839 19.571 28.428 1.00 16.31 C +ATOM 382 CG ASP B 73 33.107 18.284 28.018 1.00 18.04 C +ATOM 383 OD1 ASP B 73 32.966 18.018 26.805 1.00 15.84 O +ATOM 384 OD2 ASP B 73 32.684 17.541 28.924 1.00 19.32 O +ATOM 385 N VAL B 74 32.027 21.656 25.989 1.00 13.24 N +ATOM 386 CA VAL B 74 30.745 22.212 25.635 1.00 14.11 C +ATOM 387 C VAL B 74 29.953 21.228 24.766 1.00 13.72 C +ATOM 388 O VAL B 74 30.516 20.552 23.915 1.00 14.85 O +ATOM 389 CB VAL B 74 30.971 23.498 24.842 1.00 16.77 C +ATOM 390 CG1 VAL B 74 29.653 24.092 24.405 1.00 18.70 C +ATOM 391 CG2 VAL B 74 31.788 24.502 25.683 1.00 15.74 C +ATOM 392 N SER B 75 28.650 21.132 24.990 1.00 9.75 N +ATOM 393 CA SER B 75 27.791 20.379 24.078 1.00 8.26 C +ATOM 394 C SER B 75 26.423 21.078 23.953 1.00 12.02 C +ATOM 395 O SER B 75 26.143 22.043 24.661 1.00 12.21 O +ATOM 396 CB SER B 75 27.653 18.932 24.542 1.00 8.20 C +ATOM 397 OG SER B 75 27.135 18.911 25.861 1.00 10.55 O +ATOM 398 N GLN B 76 25.585 20.619 23.034 1.00 12.57 N +ATOM 399 CA GLN B 76 24.345 21.330 22.727 1.00 9.33 C +ATOM 400 C GLN B 76 23.117 20.553 23.126 1.00 10.46 C +ATOM 401 O GLN B 76 23.035 19.343 22.899 1.00 9.70 O +ATOM 402 CB GLN B 76 24.241 21.593 21.229 1.00 10.45 C +ATOM 403 CG GLN B 76 25.431 22.296 20.638 1.00 12.80 C +ATOM 404 CD GLN B 76 25.144 22.798 19.245 1.00 15.35 C +ATOM 405 OE1 GLN B 76 25.844 22.453 18.297 1.00 19.90 O +ATOM 406 NE2 GLN B 76 24.098 23.604 19.110 1.00 19.84 N +ATOM 407 N ALA B 77 22.139 21.261 23.678 1.00 12.61 N +ATOM 408 CA ALA B 77 20.842 20.664 23.996 1.00 15.71 C +ATOM 409 C ALA B 77 19.877 20.824 22.813 1.00 21.94 C +ATOM 410 O ALA B 77 18.936 20.047 22.651 1.00 23.68 O +ATOM 411 CB ALA B 77 20.260 21.269 25.276 1.00 10.86 C +ATOM 412 N SER B 78 20.135 21.826 21.981 1.00 20.57 N +ATOM 413 CA SER B 78 19.350 22.080 20.782 1.00 20.26 C +ATOM 414 C SER B 78 20.233 22.881 19.830 1.00 20.80 C +ATOM 415 O SER B 78 21.326 23.292 20.204 1.00 16.85 O +ATOM 416 CB SER B 78 18.081 22.857 21.128 1.00 21.75 C +ATOM 417 OG SER B 78 18.382 24.138 21.666 1.00 28.41 O +ATOM 418 N PRO B 79 19.766 23.124 18.598 1.00 23.39 N +ATOM 419 CA PRO B 79 20.686 23.735 17.632 1.00 23.59 C +ATOM 420 C PRO B 79 21.068 25.183 17.966 1.00 20.52 C +ATOM 421 O PRO B 79 22.096 25.664 17.493 1.00 21.24 O +ATOM 422 CB PRO B 79 19.904 23.662 16.310 1.00 24.75 C +ATOM 423 CG PRO B 79 18.810 22.666 16.549 1.00 27.03 C +ATOM 424 CD PRO B 79 18.464 22.810 17.992 1.00 23.76 C +ATOM 425 N SER B 80 20.276 25.856 18.792 1.00 23.85 N +ATOM 426 CA SER B 80 20.569 27.246 19.151 1.00 27.61 C +ATOM 427 C SER B 80 21.186 27.407 20.543 1.00 23.88 C +ATOM 428 O SER B 80 21.205 28.507 21.091 1.00 21.83 O +ATOM 429 CB SER B 80 19.290 28.074 19.086 1.00 35.85 C +ATOM 430 OG SER B 80 18.320 27.574 20.002 1.00 40.35 O +ATOM 431 N GLU B 81 21.684 26.320 21.117 1.00 15.83 N +ATOM 432 CA GLU B 81 22.183 26.363 22.489 1.00 15.58 C +ATOM 433 C GLU B 81 23.427 25.503 22.674 1.00 14.56 C +ATOM 434 O GLU B 81 23.534 24.423 22.099 1.00 12.88 O +ATOM 435 CB GLU B 81 21.089 25.900 23.459 1.00 15.95 C +ATOM 436 CG GLU B 81 21.445 25.997 24.952 1.00 13.74 C +ATOM 437 CD GLU B 81 21.861 24.668 25.601 1.00 13.91 C +ATOM 438 OE1 GLU B 81 22.483 23.825 24.926 1.00 14.16 O +ATOM 439 OE2 GLU B 81 21.562 24.456 26.804 1.00 14.75 O +ATOM 440 N SER B 82 24.362 25.993 23.484 1.00 13.98 N +ATOM 441 CA SER B 82 25.423 25.149 24.008 1.00 12.70 C +ATOM 442 C SER B 82 25.441 25.296 25.526 1.00 9.62 C +ATOM 443 O SER B 82 24.843 26.221 26.071 1.00 10.63 O +ATOM 444 CB SER B 82 26.778 25.469 23.368 1.00 16.19 C +ATOM 445 OG SER B 82 27.252 26.752 23.718 1.00 19.61 O +ATOM 446 N GLU B 83 26.100 24.367 26.207 1.00 10.99 N +ATOM 447 CA GLU B 83 26.042 24.314 27.663 1.00 10.57 C +ATOM 448 C GLU B 83 27.204 23.521 28.243 1.00 10.93 C +ATOM 449 O GLU B 83 27.864 22.767 27.536 1.00 12.98 O +ATOM 450 CB GLU B 83 24.705 23.707 28.135 1.00 13.46 C +ATOM 451 CG GLU B 83 24.487 22.229 27.758 1.00 9.71 C +ATOM 452 CD GLU B 83 23.183 21.664 28.318 1.00 17.43 C +ATOM 453 OE1 GLU B 83 22.107 22.260 28.080 1.00 16.53 O +ATOM 454 OE2 GLU B 83 23.236 20.621 28.998 1.00 19.26 O +ATOM 455 N ALA B 84 27.455 23.709 29.534 1.00 13.00 N +ATOM 456 CA ALA B 84 28.492 22.974 30.253 1.00 12.37 C +ATOM 457 C ALA B 84 28.001 22.834 31.676 1.00 13.42 C +ATOM 458 O ALA B 84 27.145 23.608 32.113 1.00 12.78 O +ATOM 459 CB ALA B 84 29.811 23.735 30.233 1.00 13.22 C +ATOM 460 N ARG B 85 28.561 21.873 32.407 1.00 14.44 N +ATOM 461 CA ARG B 85 28.117 21.569 33.765 1.00 12.21 C +ATOM 462 C ARG B 85 29.287 21.539 34.706 1.00 13.55 C +ATOM 463 O ARG B 85 30.388 21.139 34.329 1.00 15.04 O +ATOM 464 CB ARG B 85 27.392 20.225 33.817 1.00 13.30 C +ATOM 465 CG ARG B 85 25.977 20.331 33.345 1.00 21.83 C +ATOM 466 CD ARG B 85 25.359 19.010 32.943 1.00 26.13 C +ATOM 467 NE ARG B 85 24.268 19.315 32.025 1.00 27.41 N +ATOM 468 CZ ARG B 85 22.980 19.242 32.324 1.00 22.40 C +ATOM 469 NH1 ARG B 85 22.581 18.803 33.525 1.00 15.30 N +ATOM 470 NH2 ARG B 85 22.100 19.584 31.390 1.00 20.54 N +ATOM 471 N PHE B 86 29.032 21.975 35.938 1.00 12.17 N +ATOM 472 CA PHE B 86 30.015 21.945 36.995 1.00 9.56 C +ATOM 473 C PHE B 86 29.332 21.308 38.191 1.00 14.91 C +ATOM 474 O PHE B 86 28.346 21.829 38.714 1.00 16.28 O +ATOM 475 CB PHE B 86 30.475 23.363 37.356 1.00 12.76 C +ATOM 476 CG PHE B 86 30.971 24.159 36.175 1.00 14.49 C +ATOM 477 CD1 PHE B 86 32.317 24.165 35.839 1.00 10.22 C +ATOM 478 CD2 PHE B 86 30.082 24.915 35.403 1.00 17.89 C +ATOM 479 CE1 PHE B 86 32.769 24.907 34.753 1.00 13.78 C +ATOM 480 CE2 PHE B 86 30.527 25.655 34.321 1.00 18.38 C +ATOM 481 CZ PHE B 86 31.873 25.650 33.992 1.00 12.12 C +ATOM 482 N ARG B 87 29.855 20.170 38.611 1.00 15.51 N +ATOM 483 CA AARG B 87 29.261 19.433 39.719 0.65 17.03 C +ATOM 484 CA BARG B 87 29.275 19.411 39.707 0.35 17.16 C +ATOM 485 C ARG B 87 30.151 19.522 40.949 1.00 17.38 C +ATOM 486 O ARG B 87 31.362 19.310 40.881 1.00 20.14 O +ATOM 487 CB AARG B 87 29.029 17.973 39.327 0.65 18.42 C +ATOM 488 CB BARG B 87 29.149 17.950 39.285 0.35 18.45 C +ATOM 489 CG AARG B 87 28.682 17.035 40.473 0.65 19.42 C +ATOM 490 CG BARG B 87 28.595 17.005 40.325 0.35 20.48 C +ATOM 491 CD AARG B 87 28.680 15.580 39.993 0.65 23.54 C +ATOM 492 CD BARG B 87 28.604 15.583 39.776 0.35 23.20 C +ATOM 493 NE AARG B 87 28.330 14.654 41.067 0.65 27.20 N +ATOM 494 NE BARG B 87 27.754 14.696 40.560 0.35 26.43 N +ATOM 495 CZ AARG B 87 27.109 14.160 41.269 0.65 29.58 C +ATOM 496 CZ BARG B 87 28.150 14.071 41.662 0.35 28.63 C +ATOM 497 NH1AARG B 87 26.106 14.492 40.465 0.65 31.13 N +ATOM 498 NH1BARG B 87 27.312 13.282 42.324 0.35 30.38 N +ATOM 499 NH2AARG B 87 26.887 13.329 42.282 0.65 30.69 N +ATOM 500 NH2BARG B 87 29.388 14.238 42.102 0.35 27.17 N +ATOM 501 N ILE B 88 29.539 19.869 42.072 1.00 12.61 N +ATOM 502 CA ILE B 88 30.203 19.825 43.363 1.00 18.76 C +ATOM 503 C ILE B 88 29.622 18.573 44.001 1.00 18.67 C +ATOM 504 O ILE B 88 28.424 18.528 44.295 1.00 15.25 O +ATOM 505 CB ILE B 88 29.854 21.050 44.248 1.00 15.31 C +ATOM 506 CG1 ILE B 88 30.236 22.367 43.555 1.00 10.83 C +ATOM 507 CG2 ILE B 88 30.498 20.924 45.639 1.00 16.31 C +ATOM 508 CD1 ILE B 88 29.762 23.607 44.328 1.00 15.45 C +ATOM 509 N ASP B 89 30.454 17.550 44.178 1.00 22.75 N +ATOM 510 CA ASP B 89 29.953 16.245 44.619 1.00 25.93 C +ATOM 511 C ASP B 89 29.496 16.219 46.067 1.00 19.10 C +ATOM 512 O ASP B 89 28.586 15.474 46.418 1.00 21.08 O +ATOM 513 CB ASP B 89 30.979 15.134 44.424 1.00 31.59 C +ATOM 514 CG ASP B 89 30.460 13.791 44.921 1.00 42.52 C +ATOM 515 OD1 ASP B 89 29.328 13.409 44.529 1.00 42.93 O +ATOM 516 OD2 ASP B 89 31.165 13.134 45.720 1.00 47.33 O +ATOM 517 N SER B 90 30.140 17.020 46.902 1.00 15.52 N +ATOM 518 CA SER B 90 29.837 17.013 48.324 1.00 19.42 C +ATOM 519 C SER B 90 29.874 18.419 48.917 1.00 18.00 C +ATOM 520 O SER B 90 30.929 18.920 49.322 1.00 21.80 O +ATOM 521 CB SER B 90 30.792 16.068 49.061 1.00 17.73 C +ATOM 522 OG SER B 90 30.529 16.068 50.453 1.00 24.62 O +ATOM 523 N VAL B 91 28.707 19.052 48.975 1.00 19.96 N +ATOM 524 CA VAL B 91 28.589 20.437 49.448 1.00 17.01 C +ATOM 525 C VAL B 91 29.074 20.598 50.889 1.00 16.98 C +ATOM 526 O VAL B 91 28.727 19.789 51.770 1.00 22.25 O +ATOM 527 CB VAL B 91 27.124 20.946 49.296 1.00 21.50 C +ATOM 528 CG1 VAL B 91 26.842 22.122 50.240 1.00 23.97 C +ATOM 529 CG2 VAL B 91 26.857 21.345 47.835 1.00 14.06 C +ATOM 530 N SER B 92 29.890 21.622 51.127 1.00 15.85 N +ATOM 531 CA SER B 92 30.286 21.976 52.490 1.00 20.47 C +ATOM 532 C SER B 92 29.732 23.360 52.844 1.00 19.30 C +ATOM 533 O SER B 92 29.146 24.032 52.002 1.00 17.18 O +ATOM 534 CB SER B 92 31.806 21.939 52.634 1.00 19.99 C +ATOM 535 OG SER B 92 32.397 22.925 51.806 1.00 21.12 O +ATOM 536 N GLU B 93 29.905 23.788 54.087 1.00 19.68 N +ATOM 537 CA GLU B 93 29.408 25.098 54.499 1.00 18.02 C +ATOM 538 C GLU B 93 29.971 26.229 53.636 1.00 18.07 C +ATOM 539 O GLU B 93 29.262 27.169 53.301 1.00 18.60 O +ATOM 540 CB GLU B 93 29.716 25.347 55.974 1.00 20.24 C +ATOM 541 CG GLU B 93 29.079 24.336 56.914 1.00 31.84 C +ATOM 542 CD GLU B 93 27.553 24.295 56.811 1.00 50.84 C +ATOM 543 OE1 GLU B 93 26.940 25.274 56.322 1.00 52.97 O +ATOM 544 OE2 GLU B 93 26.963 23.275 57.232 1.00 60.93 O +ATOM 545 N GLY B 94 31.246 26.114 53.271 1.00 16.79 N +ATOM 546 CA GLY B 94 31.911 27.074 52.405 1.00 16.74 C +ATOM 547 C GLY B 94 31.304 27.235 51.017 1.00 14.69 C +ATOM 548 O GLY B 94 31.559 28.234 50.355 1.00 15.18 O +ATOM 549 N ASN B 95 30.498 26.270 50.577 1.00 13.84 N +ATOM 550 CA ASN B 95 29.807 26.386 49.289 1.00 15.97 C +ATOM 551 C ASN B 95 28.594 27.336 49.255 1.00 15.51 C +ATOM 552 O ASN B 95 28.041 27.604 48.183 1.00 13.80 O +ATOM 553 CB ASN B 95 29.372 25.012 48.760 1.00 14.27 C +ATOM 554 CG ASN B 95 30.536 24.131 48.378 1.00 14.83 C +ATOM 555 OD1 ASN B 95 30.586 22.975 48.775 1.00 14.12 O +ATOM 556 ND2 ASN B 95 31.468 24.661 47.594 1.00 11.72 N +ATOM 557 N ALA B 96 28.163 27.829 50.411 1.00 15.54 N +ATOM 558 CA ALA B 96 27.065 28.783 50.416 1.00 16.78 C +ATOM 559 C ALA B 96 27.528 30.079 49.763 1.00 17.93 C +ATOM 560 O ALA B 96 28.692 30.460 49.891 1.00 21.44 O +ATOM 561 CB ALA B 96 26.583 29.037 51.817 1.00 15.40 C +ATOM 562 N GLY B 97 26.630 30.749 49.041 1.00 15.82 N +ATOM 563 CA GLY B 97 26.962 32.028 48.453 1.00 9.81 C +ATOM 564 C GLY B 97 26.574 32.165 47.002 1.00 9.06 C +ATOM 565 O GLY B 97 25.957 31.256 46.436 1.00 10.04 O +ATOM 566 N PRO B 98 26.907 33.326 46.398 1.00 12.51 N +ATOM 567 CA PRO B 98 26.519 33.607 45.009 1.00 13.30 C +ATOM 568 C PRO B 98 27.380 32.903 43.951 1.00 10.99 C +ATOM 569 O PRO B 98 28.608 32.788 44.091 1.00 10.44 O +ATOM 570 CB PRO B 98 26.650 35.137 44.897 1.00 7.88 C +ATOM 571 CG PRO B 98 26.720 35.634 46.340 1.00 14.89 C +ATOM 572 CD PRO B 98 27.413 34.532 47.078 1.00 12.11 C +ATOM 573 N TYR B 99 26.708 32.427 42.908 1.00 6.74 N +ATOM 574 CA TYR B 99 27.364 31.805 41.759 1.00 8.90 C +ATOM 575 C TYR B 99 26.831 32.454 40.487 1.00 10.49 C +ATOM 576 O TYR B 99 25.644 32.778 40.415 1.00 8.98 O +ATOM 577 CB TYR B 99 27.066 30.295 41.696 1.00 11.74 C +ATOM 578 CG TYR B 99 27.731 29.479 42.783 1.00 12.82 C +ATOM 579 CD1 TYR B 99 28.880 28.730 42.520 1.00 13.77 C +ATOM 580 CD2 TYR B 99 27.212 29.459 44.071 1.00 12.34 C +ATOM 581 CE1 TYR B 99 29.492 27.977 43.517 1.00 11.00 C +ATOM 582 CE2 TYR B 99 27.828 28.722 45.081 1.00 11.49 C +ATOM 583 CZ TYR B 99 28.964 27.987 44.792 1.00 15.45 C +ATOM 584 OH TYR B 99 29.555 27.244 45.781 1.00 14.90 O +ATOM 585 N ARG B 100 27.710 32.634 39.499 1.00 7.51 N +ATOM 586 CA ARG B 100 27.323 33.120 38.170 1.00 4.32 C +ATOM 587 C ARG B 100 28.099 32.334 37.121 1.00 6.92 C +ATOM 588 O ARG B 100 29.102 31.710 37.436 1.00 9.41 O +ATOM 589 CB ARG B 100 27.658 34.612 38.011 1.00 8.80 C +ATOM 590 CG ARG B 100 27.017 35.534 39.051 1.00 4.30 C +ATOM 591 CD ARG B 100 27.705 36.892 39.071 1.00 7.30 C +ATOM 592 NE ARG B 100 26.992 37.827 39.932 1.00 8.23 N +ATOM 593 CZ ARG B 100 27.159 37.925 41.248 1.00 8.89 C +ATOM 594 NH1 ARG B 100 28.030 37.137 41.863 1.00 10.31 N +ATOM 595 NH2 ARG B 100 26.462 38.821 41.958 1.00 8.68 N +ATOM 596 N ACYS B 101 27.609 32.410 35.881 0.52 7.19 N +ATOM 597 N BCYS B 101 27.640 32.307 35.884 0.48 7.58 N +ATOM 598 CA ACYS B 101 28.226 31.809 34.698 0.52 8.47 C +ATOM 599 CA BCYS B 101 28.517 31.788 34.846 0.48 7.96 C +ATOM 600 C ACYS B 101 28.713 32.930 33.770 0.52 10.72 C +ATOM 601 C BCYS B 101 28.693 32.830 33.751 0.48 10.27 C +ATOM 602 O ACYS B 101 28.126 34.009 33.727 0.52 9.98 O +ATOM 603 O BCYS B 101 27.892 33.769 33.599 0.48 9.41 O +ATOM 604 CB ACYS B 101 27.204 30.943 33.936 0.52 18.29 C +ATOM 605 CB BCYS B 101 28.039 30.420 34.321 0.48 12.57 C +ATOM 606 SG ACYS B 101 26.702 29.391 34.734 0.52 13.02 S +ATOM 607 SG BCYS B 101 26.437 30.472 33.474 0.48 45.41 S +ATOM 608 N ILE B 102 29.782 32.681 33.020 1.00 9.85 N +ATOM 609 CA ILE B 102 30.166 33.608 31.988 1.00 10.72 C +ATOM 610 C ILE B 102 30.766 32.719 30.886 1.00 9.71 C +ATOM 611 O ILE B 102 31.280 31.647 31.172 1.00 8.79 O +ATOM 612 CB ILE B 102 31.153 34.658 32.556 1.00 9.15 C +ATOM 613 CG1 ILE B 102 31.388 35.789 31.558 1.00 12.94 C +ATOM 614 CG2 ILE B 102 32.452 33.998 32.992 1.00 8.84 C +ATOM 615 CD1 ILE B 102 32.486 36.752 31.989 1.00 14.93 C +ATOM 616 N TYR B 103 30.664 33.130 29.633 1.00 10.37 N +ATOM 617 CA TYR B 103 31.246 32.323 28.563 1.00 13.51 C +ATOM 618 C TYR B 103 32.184 33.098 27.656 1.00 10.40 C +ATOM 619 O TYR B 103 32.047 34.292 27.506 1.00 10.81 O +ATOM 620 CB TYR B 103 30.170 31.606 27.724 1.00 8.95 C +ATOM 621 CG TYR B 103 29.218 32.485 26.925 1.00 11.25 C +ATOM 622 CD1 TYR B 103 29.563 32.977 25.669 1.00 10.61 C +ATOM 623 CD2 TYR B 103 27.942 32.774 27.421 1.00 10.93 C +ATOM 624 CE1 TYR B 103 28.670 33.756 24.936 1.00 13.45 C +ATOM 625 CE2 TYR B 103 27.055 33.545 26.711 1.00 14.58 C +ATOM 626 CZ TYR B 103 27.414 34.038 25.476 1.00 11.22 C +ATOM 627 OH TYR B 103 26.492 34.799 24.797 1.00 10.75 O +ATOM 628 N TYR B 104 33.147 32.395 27.072 1.00 11.13 N +ATOM 629 CA TYR B 104 33.982 32.965 26.040 1.00 14.78 C +ATOM 630 C TYR B 104 33.599 32.411 24.687 1.00 15.53 C +ATOM 631 O TYR B 104 33.648 31.208 24.471 1.00 14.18 O +ATOM 632 CB TYR B 104 35.468 32.693 26.278 1.00 13.69 C +ATOM 633 CG TYR B 104 36.299 33.347 25.200 1.00 12.58 C +ATOM 634 CD1 TYR B 104 36.524 34.705 25.215 1.00 16.33 C +ATOM 635 CD2 TYR B 104 36.787 32.617 24.126 1.00 17.44 C +ATOM 636 CE1 TYR B 104 37.250 35.325 24.219 1.00 20.97 C +ATOM 637 CE2 TYR B 104 37.511 33.225 23.126 1.00 24.19 C +ATOM 638 CZ TYR B 104 37.740 34.588 23.181 1.00 24.41 C +ATOM 639 OH TYR B 104 38.458 35.228 22.192 1.00 26.86 O +ATOM 640 N LYS B 105 33.218 33.302 23.780 1.00 16.96 N +ATOM 641 CA LYS B 105 32.992 32.944 22.384 1.00 15.72 C +ATOM 642 C LYS B 105 33.771 33.936 21.521 1.00 20.49 C +ATOM 643 O LYS B 105 33.438 35.122 21.502 1.00 22.10 O +ATOM 644 CB LYS B 105 31.487 32.959 22.074 1.00 11.82 C +ATOM 645 CG LYS B 105 31.148 32.791 20.618 1.00 18.76 C +ATOM 646 CD LYS B 105 29.651 32.749 20.423 1.00 19.68 C +ATOM 647 CE LYS B 105 29.315 32.483 18.961 1.00 22.53 C +ATOM 648 NZ LYS B 105 27.843 32.427 18.735 1.00 24.91 N +ATOM 649 N PRO B 106 34.826 33.461 20.817 1.00 22.58 N +ATOM 650 CA PRO B 106 35.702 34.370 20.050 1.00 23.51 C +ATOM 651 C PRO B 106 34.920 35.502 19.370 1.00 19.89 C +ATOM 652 O PRO B 106 33.965 35.244 18.638 1.00 21.14 O +ATOM 653 CB PRO B 106 36.336 33.449 18.988 1.00 24.44 C +ATOM 654 CG PRO B 106 36.318 32.084 19.598 1.00 24.70 C +ATOM 655 CD PRO B 106 35.143 32.037 20.568 1.00 26.45 C +ATOM 656 N PRO B 107 35.350 36.756 19.579 1.00 25.03 N +ATOM 657 CA PRO B 107 36.590 37.070 20.286 1.00 26.06 C +ATOM 658 C PRO B 107 36.329 37.701 21.643 1.00 25.69 C +ATOM 659 O PRO B 107 37.238 38.341 22.158 1.00 24.41 O +ATOM 660 CB PRO B 107 37.198 38.125 19.371 1.00 24.98 C +ATOM 661 CG PRO B 107 35.975 38.946 18.986 1.00 23.64 C +ATOM 662 CD PRO B 107 34.793 37.971 18.950 1.00 23.06 C +ATOM 663 N LYS B 108 35.132 37.515 22.203 1.00 21.39 N +ATOM 664 CA LYS B 108 34.727 38.187 23.448 1.00 20.99 C +ATOM 665 C LYS B 108 34.243 37.240 24.574 1.00 17.42 C +ATOM 666 O LYS B 108 33.749 36.137 24.316 1.00 20.97 O +ATOM 667 CB LYS B 108 33.588 39.175 23.158 1.00 20.45 C +ATOM 668 CG LYS B 108 33.970 40.493 22.528 1.00 32.11 C +ATOM 669 CD LYS B 108 32.793 41.468 22.617 1.00 39.87 C +ATOM 670 CE LYS B 108 31.466 40.791 22.265 1.00 42.37 C +ATOM 671 NZ LYS B 108 30.312 41.746 22.246 1.00 44.14 N +ATOM 672 N TRP B 109 34.384 37.694 25.819 1.00 15.53 N +ATOM 673 CA TRP B 109 33.628 37.133 26.943 1.00 16.57 C +ATOM 674 C TRP B 109 32.238 37.788 26.983 1.00 16.94 C +ATOM 675 O TRP B 109 32.087 38.976 26.674 1.00 16.94 O +ATOM 676 CB TRP B 109 34.338 37.354 28.280 1.00 14.06 C +ATOM 677 CG TRP B 109 35.545 36.476 28.528 1.00 19.71 C +ATOM 678 CD1 TRP B 109 36.840 36.781 28.237 1.00 21.22 C +ATOM 679 CD2 TRP B 109 35.567 35.166 29.136 1.00 16.03 C +ATOM 680 NE1 TRP B 109 37.667 35.750 28.620 1.00 24.23 N +ATOM 681 CE2 TRP B 109 36.916 34.752 29.171 1.00 21.45 C +ATOM 682 CE3 TRP B 109 34.582 34.310 29.646 1.00 13.57 C +ATOM 683 CZ2 TRP B 109 37.301 33.515 29.693 1.00 19.24 C +ATOM 684 CZ3 TRP B 109 34.969 33.082 30.170 1.00 14.84 C +ATOM 685 CH2 TRP B 109 36.316 32.697 30.190 1.00 18.12 C +ATOM 686 N SER B 110 31.229 37.011 27.360 1.00 15.42 N +ATOM 687 CA SER B 110 29.874 37.520 27.520 1.00 10.50 C +ATOM 688 C SER B 110 29.816 38.299 28.818 1.00 12.71 C +ATOM 689 O SER B 110 30.801 38.365 29.553 1.00 7.91 O +ATOM 690 CB SER B 110 28.865 36.374 27.586 1.00 6.49 C +ATOM 691 OG SER B 110 29.028 35.627 28.799 1.00 10.28 O +ATOM 692 N GLU B 111 28.649 38.878 29.091 1.00 13.26 N +ATOM 693 CA GLU B 111 28.334 39.409 30.408 1.00 12.98 C +ATOM 694 C GLU B 111 28.105 38.245 31.351 1.00 12.48 C +ATOM 695 O GLU B 111 27.707 37.157 30.927 1.00 15.06 O +ATOM 696 CB GLU B 111 27.062 40.245 30.359 1.00 11.93 C +ATOM 697 CG GLU B 111 27.231 41.579 29.696 1.00 19.82 C +ATOM 698 CD GLU B 111 25.907 42.164 29.261 1.00 23.49 C +ATOM 699 OE1 GLU B 111 24.990 41.376 28.926 1.00 33.49 O +ATOM 700 OE2 GLU B 111 25.794 43.402 29.240 1.00 20.49 O +ATOM 701 N GLN B 112 28.350 38.453 32.634 1.00 7.28 N +ATOM 702 CA GLN B 112 28.016 37.408 33.573 1.00 10.91 C +ATOM 703 C GLN B 112 26.498 37.203 33.655 1.00 11.13 C +ATOM 704 O GLN B 112 25.716 38.155 33.512 1.00 8.43 O +ATOM 705 CB GLN B 112 28.551 37.741 34.968 1.00 10.77 C +ATOM 706 CG GLN B 112 30.024 38.001 35.052 1.00 10.68 C +ATOM 707 CD GLN B 112 30.340 38.661 36.369 1.00 15.83 C +ATOM 708 OE1 GLN B 112 30.201 39.869 36.519 1.00 21.61 O +ATOM 709 NE2 GLN B 112 30.726 37.872 37.338 1.00 14.23 N +ATOM 710 N SER B 113 26.098 35.956 33.912 1.00 8.06 N +ATOM 711 CA SER B 113 24.705 35.632 34.203 1.00 12.14 C +ATOM 712 C SER B 113 24.196 36.347 35.464 1.00 8.64 C +ATOM 713 O SER B 113 24.989 36.845 36.279 1.00 11.47 O +ATOM 714 CB SER B 113 24.539 34.112 34.389 1.00 8.00 C +ATOM 715 OG SER B 113 24.972 33.681 35.662 1.00 8.13 O +ATOM 716 N ASP B 114 22.871 36.394 35.612 1.00 9.52 N +ATOM 717 CA ASP B 114 22.261 36.663 36.908 1.00 7.35 C +ATOM 718 C ASP B 114 22.864 35.656 37.882 1.00 11.51 C +ATOM 719 O ASP B 114 23.287 34.568 37.466 1.00 15.42 O +ATOM 720 CB ASP B 114 20.745 36.455 36.863 1.00 11.23 C +ATOM 721 CG ASP B 114 20.053 37.304 35.809 1.00 17.92 C +ATOM 722 OD1 ASP B 114 20.401 38.474 35.628 1.00 17.19 O +ATOM 723 OD2 ASP B 114 19.124 36.792 35.155 1.00 24.62 O +ATOM 724 N TYR B 115 22.916 35.990 39.166 1.00 7.09 N +ATOM 725 CA TYR B 115 23.447 35.044 40.146 1.00 11.27 C +ATOM 726 C TYR B 115 22.346 34.136 40.680 1.00 13.99 C +ATOM 727 O TYR B 115 21.160 34.474 40.626 1.00 15.34 O +ATOM 728 CB TYR B 115 24.182 35.755 41.316 1.00 7.99 C +ATOM 729 CG TYR B 115 23.285 36.627 42.165 1.00 10.36 C +ATOM 730 CD1 TYR B 115 22.571 36.094 43.234 1.00 13.85 C +ATOM 731 CD2 TYR B 115 23.140 37.979 41.882 1.00 13.67 C +ATOM 732 CE1 TYR B 115 21.731 36.891 44.000 1.00 16.76 C +ATOM 733 CE2 TYR B 115 22.307 38.789 42.645 1.00 18.19 C +ATOM 734 CZ TYR B 115 21.606 38.237 43.701 1.00 19.95 C +ATOM 735 OH TYR B 115 20.781 39.050 44.449 1.00 22.90 O +ATOM 736 N LEU B 116 22.746 32.970 41.168 1.00 14.49 N +ATOM 737 CA LEU B 116 21.899 32.196 42.064 1.00 14.76 C +ATOM 738 C LEU B 116 22.687 31.996 43.355 1.00 14.46 C +ATOM 739 O LEU B 116 23.920 31.936 43.352 1.00 17.72 O +ATOM 740 CB LEU B 116 21.435 30.864 41.448 1.00 16.08 C +ATOM 741 CG LEU B 116 22.396 29.751 41.027 1.00 20.89 C +ATOM 742 CD1 LEU B 116 22.908 28.978 42.247 1.00 24.86 C +ATOM 743 CD2 LEU B 116 21.704 28.802 40.057 1.00 16.50 C +ATOM 744 N GLU B 117 21.980 31.931 44.464 1.00 11.57 N +ATOM 745 CA GLU B 117 22.641 31.747 45.741 1.00 16.95 C +ATOM 746 C GLU B 117 22.424 30.341 46.244 1.00 18.47 C +ATOM 747 O GLU B 117 21.278 29.898 46.390 1.00 21.34 O +ATOM 748 CB GLU B 117 22.173 32.787 46.758 1.00 24.90 C +ATOM 749 CG GLU B 117 22.728 34.166 46.455 1.00 34.48 C +ATOM 750 CD GLU B 117 22.220 35.217 47.406 1.00 40.06 C +ATOM 751 OE1 GLU B 117 21.016 35.169 47.758 1.00 46.40 O +ATOM 752 OE2 GLU B 117 23.020 36.092 47.798 1.00 34.36 O +ATOM 753 N LEU B 118 23.529 29.627 46.450 1.00 16.62 N +ATOM 754 CA LEU B 118 23.479 28.298 47.044 1.00 15.02 C +ATOM 755 C LEU B 118 23.288 28.441 48.550 1.00 17.02 C +ATOM 756 O LEU B 118 23.929 29.291 49.179 1.00 15.59 O +ATOM 757 CB LEU B 118 24.750 27.500 46.725 1.00 16.51 C +ATOM 758 CG LEU B 118 24.721 25.994 47.024 1.00 18.13 C +ATOM 759 CD1 LEU B 118 23.665 25.302 46.193 1.00 20.74 C +ATOM 760 CD2 LEU B 118 26.094 25.328 46.817 1.00 18.80 C +ATOM 761 N LEU B 119 22.376 27.629 49.094 1.00 19.82 N +ATOM 762 CA LEU B 119 22.123 27.505 50.536 1.00 24.20 C +ATOM 763 C LEU B 119 22.353 26.070 50.991 1.00 27.18 C +ATOM 764 O LEU B 119 21.777 25.142 50.430 1.00 28.55 O +ATOM 765 CB LEU B 119 20.684 27.871 50.860 1.00 23.78 C +ATOM 766 CG LEU B 119 20.459 29.295 51.332 1.00 28.59 C +ATOM 767 CD1 LEU B 119 21.670 29.740 52.161 1.00 35.93 C +ATOM 768 CD2 LEU B 119 20.218 30.208 50.143 1.00 28.66 C +ATOM 769 N VAL B 120 23.186 25.894 52.012 1.00 32.02 N +ATOM 770 CA VAL B 120 23.442 24.576 52.574 1.00 35.10 C +ATOM 771 C VAL B 120 22.409 24.245 53.657 1.00 38.52 C +ATOM 772 O VAL B 120 22.359 24.896 54.697 1.00 40.09 O +ATOM 773 CB VAL B 120 24.868 24.486 53.148 1.00 34.89 C +ATOM 774 CG1 VAL B 120 25.111 23.108 53.762 1.00 39.67 C +ATOM 775 CG2 VAL B 120 25.883 24.790 52.061 1.00 33.77 C +ATOM 776 N LYS B 121 21.581 23.238 53.399 1.00 41.26 N +ATOM 777 CA LYS B 121 20.503 22.866 54.311 1.00 44.87 C +ATOM 778 C LYS B 121 20.986 21.994 55.476 1.00 44.00 C +ATOM 779 O LYS B 121 22.182 21.918 55.777 1.00 39.45 O +ATOM 780 CB LYS B 121 19.391 22.141 53.550 1.00 47.83 C +ATOM 781 CG LYS B 121 18.066 22.096 54.285 1.00 53.64 C +ATOM 782 CD LYS B 121 17.191 20.960 53.779 1.00 60.48 C +ATOM 783 CE LYS B 121 15.755 21.103 54.273 1.00 64.88 C +ATOM 784 NZ LYS B 121 15.677 21.353 55.741 1.00 67.52 N Added: SwiftApps/modFTdock/input/3kgr-3.pdb =================================================================== --- SwiftApps/modFTdock/input/3kgr-3.pdb (rev 0) +++ SwiftApps/modFTdock/input/3kgr-3.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,804 @@ +ATOM 1 N ASP C 25 20.523 46.535 3.095 1.00 56.45 N +ATOM 2 CA ASP C 25 20.519 47.845 3.745 1.00 55.16 C +ATOM 3 C ASP C 25 19.117 48.274 4.188 1.00 48.76 C +ATOM 4 O ASP C 25 18.549 49.228 3.655 1.00 46.79 O +ATOM 5 CB ASP C 25 21.136 48.897 2.827 1.00 56.86 C +ATOM 6 CG ASP C 25 20.498 48.921 1.447 1.00 57.09 C +ATOM 7 OD1 ASP C 25 19.879 47.903 1.061 1.00 59.16 O +ATOM 8 OD2 ASP C 25 20.626 49.959 0.751 1.00 51.21 O +ATOM 9 N LEU C 26 18.573 47.552 5.165 1.00 44.85 N +ATOM 10 CA LEU C 26 17.249 47.828 5.713 1.00 35.92 C +ATOM 11 C LEU C 26 17.285 49.068 6.614 1.00 24.48 C +ATOM 12 O LEU C 26 18.180 49.211 7.448 1.00 29.03 O +ATOM 13 CB LEU C 26 16.769 46.617 6.520 1.00 37.44 C +ATOM 14 CG LEU C 26 16.015 45.485 5.826 1.00 39.17 C +ATOM 15 CD1 LEU C 26 16.169 45.569 4.326 1.00 44.02 C +ATOM 16 CD2 LEU C 26 16.523 44.148 6.341 1.00 36.83 C +ATOM 17 N PRO C 27 16.310 49.969 6.449 1.00 19.56 N +ATOM 18 CA PRO C 27 16.183 51.139 7.329 1.00 20.90 C +ATOM 19 C PRO C 27 16.014 50.710 8.787 1.00 23.62 C +ATOM 20 O PRO C 27 15.309 49.731 9.055 1.00 24.65 O +ATOM 21 CB PRO C 27 14.899 51.819 6.838 1.00 25.92 C +ATOM 22 CG PRO C 27 14.645 51.253 5.465 1.00 27.84 C +ATOM 23 CD PRO C 27 15.228 49.884 5.456 1.00 18.38 C +ATOM 24 N ARG C 28 16.653 51.421 9.712 1.00 17.17 N +ATOM 25 CA ARG C 28 16.540 51.093 11.127 1.00 17.35 C +ATOM 26 C ARG C 28 15.092 51.298 11.563 1.00 13.03 C +ATOM 27 O ARG C 28 14.503 52.324 11.236 1.00 14.57 O +ATOM 28 CB ARG C 28 17.491 51.961 11.972 1.00 16.57 C +ATOM 29 CG ARG C 28 17.375 51.711 13.472 1.00 21.36 C +ATOM 30 CD ARG C 28 18.332 52.568 14.317 1.00 31.78 C +ATOM 31 NE ARG C 28 19.711 52.574 13.818 1.00 40.74 N +ATOM 32 CZ ARG C 28 20.578 51.566 13.933 1.00 41.53 C +ATOM 33 NH1 ARG C 28 21.810 51.684 13.449 1.00 42.00 N +ATOM 34 NH2 ARG C 28 20.220 50.441 14.521 1.00 38.54 N +ATOM 35 N PRO C 29 14.503 50.314 12.282 1.00 16.71 N +ATOM 36 CA PRO C 29 13.114 50.465 12.731 1.00 17.58 C +ATOM 37 C PRO C 29 13.015 51.532 13.813 1.00 16.15 C +ATOM 38 O PRO C 29 14.031 51.858 14.442 1.00 17.89 O +ATOM 39 CB PRO C 29 12.795 49.086 13.333 1.00 19.14 C +ATOM 40 CG PRO C 29 14.130 48.577 13.787 1.00 17.82 C +ATOM 41 CD PRO C 29 15.037 48.989 12.648 1.00 16.35 C +ATOM 42 N SER C 30 11.820 52.075 14.021 1.00 15.08 N +ATOM 43 CA SER C 30 11.572 52.937 15.172 1.00 13.29 C +ATOM 44 C SER C 30 10.577 52.302 16.149 1.00 14.55 C +ATOM 45 O SER C 30 9.713 51.526 15.754 1.00 11.33 O +ATOM 46 CB SER C 30 11.065 54.312 14.726 1.00 21.76 C +ATOM 47 OG SER C 30 9.794 54.208 14.107 1.00 23.64 O +ATOM 48 N ILE C 31 10.708 52.653 17.426 1.00 16.21 N +ATOM 49 CA ILE C 31 9.776 52.204 18.443 1.00 13.21 C +ATOM 50 C ILE C 31 9.135 53.403 19.141 1.00 17.16 C +ATOM 51 O ILE C 31 9.809 54.375 19.464 1.00 19.24 O +ATOM 52 CB ILE C 31 10.454 51.266 19.484 1.00 13.53 C +ATOM 53 CG1 ILE C 31 9.408 50.680 20.451 1.00 12.76 C +ATOM 54 CG2 ILE C 31 11.592 51.984 20.230 1.00 10.56 C +ATOM 55 CD1 ILE C 31 9.978 49.604 21.386 1.00 11.90 C +ATOM 56 N ASER C 32 7.824 53.325 19.351 0.69 15.31 N +ATOM 57 N BSER C 32 7.828 53.321 19.362 0.31 15.27 N +ATOM 58 CA ASER C 32 7.084 54.352 20.076 0.69 16.43 C +ATOM 59 CA BSER C 32 7.107 54.349 20.097 0.31 16.26 C +ATOM 60 C ASER C 32 6.130 53.684 21.056 0.69 16.14 C +ATOM 61 C BSER C 32 6.099 53.697 21.030 0.31 17.16 C +ATOM 62 O ASER C 32 5.818 52.504 20.925 0.69 21.09 O +ATOM 63 O BSER C 32 5.724 52.541 20.845 0.31 19.75 O +ATOM 64 CB ASER C 32 6.294 55.239 19.108 0.69 16.56 C +ATOM 65 CB BSER C 32 6.397 55.307 19.138 0.31 15.95 C +ATOM 66 OG ASER C 32 7.076 55.634 17.990 0.69 12.50 O +ATOM 67 OG BSER C 32 5.317 54.667 18.477 0.31 15.52 O +ATOM 68 N ALA C 33 5.662 54.442 22.037 1.00 20.80 N +ATOM 69 CA ALA C 33 4.685 53.939 22.985 1.00 21.68 C +ATOM 70 C ALA C 33 3.453 54.843 22.978 1.00 29.26 C +ATOM 71 O ALA C 33 3.562 56.061 22.806 1.00 27.50 O +ATOM 72 CB ALA C 33 5.289 53.847 24.382 1.00 18.84 C +ATOM 73 N GLU C 34 2.287 54.229 23.146 1.00 33.53 N +ATOM 74 CA GLU C 34 1.024 54.943 23.245 1.00 32.27 C +ATOM 75 C GLU C 34 0.284 54.461 24.489 1.00 36.21 C +ATOM 76 O GLU C 34 0.149 53.257 24.704 1.00 38.32 O +ATOM 77 CB GLU C 34 0.189 54.700 21.988 1.00 34.54 C +ATOM 78 CG GLU C 34 0.852 55.190 20.689 1.00 33.02 C +ATOM 79 CD GLU C 34 0.006 54.910 19.444 1.00 32.44 C +ATOM 80 OE1 GLU C 34 -1.154 54.468 19.590 1.00 32.65 O +ATOM 81 OE2 GLU C 34 0.499 55.136 18.319 1.00 33.99 O +ATOM 82 N PRO C 35 -0.201 55.399 25.323 1.00 39.77 N +ATOM 83 CA PRO C 35 -0.183 56.854 25.116 1.00 39.64 C +ATOM 84 C PRO C 35 1.186 57.484 25.392 1.00 41.76 C +ATOM 85 O PRO C 35 1.510 58.538 24.838 1.00 43.51 O +ATOM 86 CB PRO C 35 -1.204 57.354 26.134 1.00 34.36 C +ATOM 87 CG PRO C 35 -1.153 56.357 27.238 1.00 35.97 C +ATOM 88 CD PRO C 35 -0.743 55.036 26.646 1.00 41.01 C +ATOM 89 N GLY C 36 1.983 56.843 26.240 1.00 35.90 N +ATOM 90 CA GLY C 36 3.327 57.316 26.493 1.00 31.13 C +ATOM 91 C GLY C 36 4.207 56.307 27.196 1.00 29.26 C +ATOM 92 O GLY C 36 3.809 55.172 27.443 1.00 28.48 O +ATOM 93 N THR C 37 5.418 56.736 27.522 1.00 33.21 N +ATOM 94 CA THR C 37 6.393 55.865 28.147 1.00 33.79 C +ATOM 95 C THR C 37 6.210 55.827 29.655 1.00 36.22 C +ATOM 96 O THR C 37 6.856 55.041 30.347 1.00 29.81 O +ATOM 97 CB THR C 37 7.821 56.296 27.794 1.00 29.93 C +ATOM 98 OG1 THR C 37 7.955 57.705 27.993 1.00 30.29 O +ATOM 99 CG2 THR C 37 8.124 55.970 26.341 1.00 29.86 C +ATOM 100 N VAL C 38 5.313 56.673 30.157 1.00 46.12 N +ATOM 101 CA VAL C 38 5.007 56.713 31.585 1.00 47.35 C +ATOM 102 C VAL C 38 3.591 56.199 31.853 1.00 45.80 C +ATOM 103 O VAL C 38 2.604 56.848 31.510 1.00 39.50 O +ATOM 104 CB VAL C 38 5.172 58.128 32.166 1.00 44.14 C +ATOM 105 CG1 VAL C 38 5.175 58.060 33.684 1.00 44.43 C +ATOM 106 CG2 VAL C 38 6.453 58.772 31.644 1.00 38.62 C +ATOM 107 N ILE C 39 3.505 55.026 32.470 1.00 49.22 N +ATOM 108 CA ILE C 39 2.235 54.329 32.614 1.00 53.06 C +ATOM 109 C ILE C 39 1.984 53.901 34.060 1.00 54.31 C +ATOM 110 O ILE C 39 2.851 53.304 34.703 1.00 51.62 O +ATOM 111 CB ILE C 39 2.178 53.093 31.674 1.00 30.43 C +ATOM 112 CG1 ILE C 39 2.532 53.492 30.236 1.00 31.82 C +ATOM 113 CG2 ILE C 39 0.817 52.419 31.725 1.00 26.75 C +ATOM 114 CD1 ILE C 39 1.462 54.271 29.525 1.00 28.45 C +ATOM 115 N PRO C 40 0.780 54.208 34.571 1.00 56.95 N +ATOM 116 CA PRO C 40 0.320 53.886 35.928 1.00 57.25 C +ATOM 117 C PRO C 40 0.085 52.388 36.126 1.00 55.81 C +ATOM 118 O PRO C 40 -0.681 51.782 35.372 1.00 54.44 O +ATOM 119 CB PRO C 40 -1.015 54.633 36.029 1.00 58.12 C +ATOM 120 CG PRO C 40 -1.045 55.578 34.861 1.00 58.51 C +ATOM 121 CD PRO C 40 -0.251 54.919 33.800 1.00 56.20 C +ATOM 122 N LEU C 41 0.735 51.811 37.135 1.00 54.59 N +ATOM 123 CA LEU C 41 0.625 50.382 37.442 1.00 54.88 C +ATOM 124 C LEU C 41 -0.794 49.860 37.242 1.00 51.04 C +ATOM 125 O LEU C 41 -1.714 50.274 37.942 1.00 55.46 O +ATOM 126 CB LEU C 41 1.092 50.119 38.882 1.00 59.82 C +ATOM 127 CG LEU C 41 1.148 48.710 39.504 1.00 63.24 C +ATOM 128 CD1 LEU C 41 -0.245 48.113 39.724 1.00 66.67 C +ATOM 129 CD2 LEU C 41 2.038 47.748 38.709 1.00 61.81 C +ATOM 130 N GLY C 42 -0.968 48.955 36.283 1.00 45.14 N +ATOM 131 CA GLY C 42 -2.266 48.353 36.027 1.00 41.77 C +ATOM 132 C GLY C 42 -2.984 48.875 34.793 1.00 39.11 C +ATOM 133 O GLY C 42 -4.046 48.379 34.422 1.00 35.34 O +ATOM 134 N SER C 43 -2.407 49.881 34.150 1.00 41.80 N +ATOM 135 CA SER C 43 -2.987 50.422 32.928 1.00 45.01 C +ATOM 136 C SER C 43 -2.398 49.741 31.698 1.00 36.66 C +ATOM 137 O SER C 43 -1.588 48.820 31.806 1.00 32.29 O +ATOM 138 CB SER C 43 -2.768 51.934 32.845 1.00 50.36 C +ATOM 139 OG SER C 43 -3.374 52.587 33.942 1.00 55.56 O +ATOM 140 N HIS C 44 -2.802 50.216 30.529 1.00 37.24 N +ATOM 141 CA HIS C 44 -2.394 49.604 29.274 1.00 40.16 C +ATOM 142 C HIS C 44 -1.403 50.475 28.507 1.00 37.05 C +ATOM 143 O HIS C 44 -1.526 51.709 28.472 1.00 34.90 O +ATOM 144 CB HIS C 44 -3.618 49.381 28.392 1.00 48.33 C +ATOM 145 CG HIS C 44 -4.088 50.629 27.716 1.00 54.18 C +ATOM 146 ND1 HIS C 44 -4.783 51.615 28.375 1.00 58.97 N +ATOM 147 CD2 HIS C 44 -3.928 51.068 26.441 1.00 55.76 C +ATOM 148 CE1 HIS C 44 -5.049 52.604 27.536 1.00 60.56 C +ATOM 149 NE2 HIS C 44 -4.540 52.292 26.357 1.00 57.89 N +ATOM 150 N VAL C 45 -0.426 49.828 27.881 1.00 33.34 N +ATOM 151 CA VAL C 45 0.460 50.515 26.946 1.00 30.93 C +ATOM 152 C VAL C 45 0.473 49.775 25.599 1.00 26.44 C +ATOM 153 O VAL C 45 0.307 48.555 25.564 1.00 26.28 O +ATOM 154 CB VAL C 45 1.887 50.671 27.517 1.00 28.58 C +ATOM 155 CG1 VAL C 45 2.524 49.296 27.792 1.00 30.10 C +ATOM 156 CG2 VAL C 45 2.741 51.510 26.579 1.00 25.64 C +ATOM 157 N THR C 46 0.632 50.516 24.503 1.00 25.44 N +ATOM 158 CA THR C 46 0.752 49.929 23.161 1.00 24.03 C +ATOM 159 C THR C 46 2.089 50.307 22.529 1.00 23.73 C +ATOM 160 O THR C 46 2.365 51.483 22.308 1.00 27.19 O +ATOM 161 CB THR C 46 -0.392 50.400 22.206 1.00 31.94 C +ATOM 162 OG1 THR C 46 -1.660 49.948 22.700 1.00 32.64 O +ATOM 163 CG2 THR C 46 -0.179 49.842 20.797 1.00 29.08 C +ATOM 164 N PHE C 47 2.927 49.319 22.241 1.00 18.40 N +ATOM 165 CA PHE C 47 4.176 49.607 21.549 1.00 17.98 C +ATOM 166 C PHE C 47 3.936 49.572 20.046 1.00 16.46 C +ATOM 167 O PHE C 47 3.318 48.654 19.549 1.00 16.28 O +ATOM 168 CB PHE C 47 5.273 48.618 21.949 1.00 16.44 C +ATOM 169 CG PHE C 47 5.662 48.705 23.393 1.00 18.07 C +ATOM 170 CD1 PHE C 47 6.601 49.632 23.819 1.00 19.45 C +ATOM 171 CD2 PHE C 47 5.080 47.861 24.335 1.00 23.36 C +ATOM 172 CE1 PHE C 47 6.958 49.713 25.164 1.00 23.08 C +ATOM 173 CE2 PHE C 47 5.431 47.931 25.678 1.00 21.21 C +ATOM 174 CZ PHE C 47 6.367 48.858 26.097 1.00 20.84 C +ATOM 175 N VAL C 48 4.417 50.580 19.331 1.00 14.72 N +ATOM 176 CA VAL C 48 4.306 50.609 17.876 1.00 15.94 C +ATOM 177 C VAL C 48 5.694 50.505 17.239 1.00 15.39 C +ATOM 178 O VAL C 48 6.548 51.368 17.450 1.00 16.42 O +ATOM 179 CB VAL C 48 3.582 51.882 17.404 1.00 15.41 C +ATOM 180 CG1 VAL C 48 3.312 51.841 15.899 1.00 13.14 C +ATOM 181 CG2 VAL C 48 2.286 52.054 18.190 1.00 15.73 C +ATOM 182 N ACYS C 49 5.896 49.446 16.463 0.47 14.98 N +ATOM 183 N BCYS C 49 5.941 49.426 16.497 0.53 14.96 N +ATOM 184 CA ACYS C 49 7.133 49.232 15.718 0.47 14.78 C +ATOM 185 CA BCYS C 49 7.192 49.305 15.736 0.53 14.75 C +ATOM 186 C ACYS C 49 6.945 49.651 14.258 0.47 17.18 C +ATOM 187 C BCYS C 49 6.963 49.656 14.274 0.53 17.31 C +ATOM 188 O ACYS C 49 6.039 49.166 13.581 0.47 17.40 O +ATOM 189 O BCYS C 49 6.058 49.132 13.618 0.53 17.53 O +ATOM 190 CB ACYS C 49 7.551 47.755 15.785 0.47 14.67 C +ATOM 191 CB BCYS C 49 7.824 47.910 15.837 0.53 14.86 C +ATOM 192 SG ACYS C 49 7.930 47.112 17.453 0.47 13.11 S +ATOM 193 SG BCYS C 49 9.501 47.778 15.095 0.53 14.30 S +ATOM 194 N ARG C 50 7.798 50.548 13.769 1.00 16.19 N +ATOM 195 CA ARG C 50 7.673 51.010 12.405 1.00 14.40 C +ATOM 196 C ARG C 50 8.918 50.709 11.585 1.00 19.81 C +ATOM 197 O ARG C 50 10.054 50.804 12.069 1.00 21.55 O +ATOM 198 CB ARG C 50 7.352 52.501 12.381 1.00 15.54 C +ATOM 199 CG ARG C 50 6.071 52.861 13.087 1.00 15.82 C +ATOM 200 CD ARG C 50 5.818 54.350 12.988 1.00 16.82 C +ATOM 201 NE ARG C 50 4.445 54.687 13.338 1.00 18.62 N +ATOM 202 CZ ARG C 50 4.058 55.054 14.553 1.00 20.24 C +ATOM 203 NH1 ARG C 50 4.943 55.133 15.543 1.00 21.68 N +ATOM 204 NH2 ARG C 50 2.787 55.343 14.780 1.00 26.56 N +ATOM 205 N GLY C 51 8.688 50.344 10.328 1.00 18.71 N +ATOM 206 CA GLY C 51 9.764 50.051 9.411 1.00 16.18 C +ATOM 207 C GLY C 51 9.363 50.339 7.978 1.00 15.06 C +ATOM 208 O GLY C 51 8.400 51.058 7.715 1.00 12.12 O +ATOM 209 N PRO C 52 10.103 49.777 7.033 1.00 18.36 N +ATOM 210 CA PRO C 52 9.774 50.036 5.630 1.00 19.14 C +ATOM 211 C PRO C 52 8.561 49.224 5.197 1.00 19.04 C +ATOM 212 O PRO C 52 8.112 48.336 5.916 1.00 16.54 O +ATOM 213 CB PRO C 52 11.020 49.548 4.872 1.00 18.86 C +ATOM 214 CG PRO C 52 11.886 48.855 5.882 1.00 20.54 C +ATOM 215 CD PRO C 52 11.162 48.774 7.187 1.00 18.94 C +ATOM 216 N VAL C 53 8.036 49.518 4.014 1.00 20.52 N +ATOM 217 CA VAL C 53 7.042 48.645 3.406 1.00 17.07 C +ATOM 218 C VAL C 53 7.684 47.256 3.219 1.00 17.03 C +ATOM 219 O VAL C 53 8.899 47.158 3.023 1.00 18.45 O +ATOM 220 CB VAL C 53 6.490 49.278 2.084 1.00 17.98 C +ATOM 221 CG1 VAL C 53 7.524 49.282 1.001 1.00 21.04 C +ATOM 222 CG2 VAL C 53 5.271 48.527 1.614 1.00 19.62 C +ATOM 223 N GLY C 54 6.901 46.188 3.353 1.00 19.06 N +ATOM 224 CA GLY C 54 7.397 44.852 3.035 1.00 18.82 C +ATOM 225 C GLY C 54 7.955 44.001 4.175 1.00 14.38 C +ATOM 226 O GLY C 54 8.525 42.933 3.957 1.00 16.58 O +ATOM 227 N VAL C 55 7.798 44.477 5.403 1.00 18.77 N +ATOM 228 CA VAL C 55 8.231 43.725 6.574 1.00 16.08 C +ATOM 229 C VAL C 55 7.367 42.470 6.721 1.00 12.96 C +ATOM 230 O VAL C 55 6.150 42.535 6.580 1.00 17.78 O +ATOM 231 CB VAL C 55 8.115 44.601 7.857 1.00 9.49 C +ATOM 232 CG1 VAL C 55 8.363 43.762 9.128 1.00 9.60 C +ATOM 233 CG2 VAL C 55 9.034 45.802 7.763 1.00 6.41 C +ATOM 234 N GLN C 56 7.992 41.330 6.995 1.00 15.58 N +ATOM 235 CA GLN C 56 7.248 40.110 7.268 1.00 19.36 C +ATOM 236 C GLN C 56 6.867 40.000 8.746 1.00 17.41 C +ATOM 237 O GLN C 56 5.708 39.748 9.090 1.00 15.48 O +ATOM 238 CB GLN C 56 8.061 38.877 6.885 1.00 21.37 C +ATOM 239 CG GLN C 56 7.391 37.587 7.355 1.00 31.30 C +ATOM 240 CD GLN C 56 8.311 36.376 7.341 1.00 39.37 C +ATOM 241 OE1 GLN C 56 9.363 36.381 6.697 1.00 40.09 O +ATOM 242 NE2 GLN C 56 7.907 35.322 8.049 1.00 42.37 N +ATOM 243 N THR C 57 7.862 40.173 9.609 1.00 20.37 N +ATOM 244 CA THR C 57 7.700 39.995 11.047 1.00 16.22 C +ATOM 245 C THR C 57 8.280 41.197 11.775 1.00 16.12 C +ATOM 246 O THR C 57 9.398 41.622 11.471 1.00 14.36 O +ATOM 247 CB THR C 57 8.447 38.733 11.547 1.00 14.44 C +ATOM 248 OG1 THR C 57 8.000 37.594 10.811 1.00 20.12 O +ATOM 249 CG2 THR C 57 8.200 38.499 13.035 1.00 17.24 C +ATOM 250 N PHE C 58 7.509 41.742 12.717 1.00 8.91 N +ATOM 251 CA PHE C 58 8.011 42.705 13.687 1.00 10.09 C +ATOM 252 C PHE C 58 8.192 42.005 15.033 1.00 10.58 C +ATOM 253 O PHE C 58 7.313 41.269 15.479 1.00 11.37 O +ATOM 254 CB PHE C 58 7.051 43.884 13.875 1.00 11.83 C +ATOM 255 CG PHE C 58 7.183 44.964 12.827 1.00 10.98 C +ATOM 256 CD1 PHE C 58 8.235 45.868 12.865 1.00 10.51 C +ATOM 257 CD2 PHE C 58 6.241 45.084 11.822 1.00 13.01 C +ATOM 258 CE1 PHE C 58 8.348 46.862 11.897 1.00 12.76 C +ATOM 259 CE2 PHE C 58 6.341 46.079 10.848 1.00 12.26 C +ATOM 260 CZ PHE C 58 7.396 46.971 10.890 1.00 14.54 C +ATOM 261 N ARG C 59 9.330 42.247 15.670 1.00 11.45 N +ATOM 262 CA ARG C 59 9.629 41.667 16.965 1.00 12.07 C +ATOM 263 C ARG C 59 9.832 42.775 18.017 1.00 10.68 C +ATOM 264 O ARG C 59 10.661 43.681 17.834 1.00 11.56 O +ATOM 265 CB ARG C 59 10.860 40.763 16.882 1.00 10.23 C +ATOM 266 CG ARG C 59 11.361 40.294 18.262 1.00 12.70 C +ATOM 267 CD ARG C 59 12.456 39.236 18.146 1.00 13.57 C +ATOM 268 NE ARG C 59 11.991 38.044 17.451 1.00 14.81 N +ATOM 269 CZ ARG C 59 12.779 37.057 17.040 1.00 16.20 C +ATOM 270 NH1 ARG C 59 14.084 37.123 17.233 1.00 18.81 N +ATOM 271 NH2 ARG C 59 12.262 36.011 16.416 1.00 18.19 N +ATOM 272 N LEU C 60 9.047 42.730 19.088 1.00 11.40 N +ATOM 273 CA LEU C 60 9.253 43.633 20.205 1.00 13.23 C +ATOM 274 C LEU C 60 10.162 42.918 21.171 1.00 17.86 C +ATOM 275 O LEU C 60 9.925 41.757 21.529 1.00 18.30 O +ATOM 276 CB LEU C 60 7.944 43.987 20.902 1.00 16.26 C +ATOM 277 CG LEU C 60 8.000 44.806 22.210 1.00 13.11 C +ATOM 278 CD1 LEU C 60 8.284 46.299 21.969 1.00 7.28 C +ATOM 279 CD2 LEU C 60 6.700 44.629 23.033 1.00 17.29 C +ATOM 280 N GLU C 61 11.210 43.607 21.601 1.00 14.06 N +ATOM 281 CA GLU C 61 12.176 42.993 22.493 1.00 14.76 C +ATOM 282 C GLU C 61 12.066 43.606 23.888 1.00 15.76 C +ATOM 283 O GLU C 61 12.264 44.810 24.076 1.00 12.29 O +ATOM 284 CB GLU C 61 13.590 43.120 21.919 1.00 13.93 C +ATOM 285 CG GLU C 61 13.748 42.466 20.551 1.00 14.27 C +ATOM 286 CD GLU C 61 14.910 43.036 19.774 1.00 17.51 C +ATOM 287 OE1 GLU C 61 14.957 44.266 19.587 1.00 17.37 O +ATOM 288 OE2 GLU C 61 15.769 42.254 19.325 1.00 19.42 O +ATOM 289 N ARG C 62 11.697 42.756 24.840 1.00 14.82 N +ATOM 290 CA ARG C 62 11.666 43.086 26.268 1.00 16.48 C +ATOM 291 C ARG C 62 13.052 42.835 26.854 1.00 21.69 C +ATOM 292 O ARG C 62 13.381 41.719 27.264 1.00 23.39 O +ATOM 293 CB ARG C 62 10.627 42.220 26.986 1.00 15.72 C +ATOM 294 CG ARG C 62 9.329 42.089 26.215 1.00 16.30 C +ATOM 295 CD ARG C 62 8.195 41.724 27.145 1.00 23.10 C +ATOM 296 NE ARG C 62 6.911 41.717 26.459 1.00 27.47 N +ATOM 297 CZ ARG C 62 5.743 41.621 27.081 1.00 26.81 C +ATOM 298 NH1 ARG C 62 4.612 41.627 26.381 1.00 31.35 N +ATOM 299 NH2 ARG C 62 5.709 41.527 28.401 1.00 20.93 N +ATOM 300 N GLU C 63 13.860 43.886 26.901 1.00 19.72 N +ATOM 301 CA GLU C 63 15.302 43.734 27.086 1.00 25.39 C +ATOM 302 C GLU C 63 15.769 43.410 28.511 1.00 32.59 C +ATOM 303 O GLU C 63 16.848 42.848 28.692 1.00 36.75 O +ATOM 304 CB GLU C 63 16.034 44.963 26.544 1.00 29.37 C +ATOM 305 CG GLU C 63 15.814 45.219 25.054 1.00 35.88 C +ATOM 306 CD GLU C 63 16.539 44.222 24.170 1.00 43.19 C +ATOM 307 OE1 GLU C 63 16.970 44.615 23.067 1.00 45.78 O +ATOM 308 OE2 GLU C 63 16.679 43.047 24.572 1.00 45.95 O +ATOM 309 N SER C 64 14.977 43.752 29.523 1.00 32.89 N +ATOM 310 CA SER C 64 15.427 43.498 30.885 1.00 35.27 C +ATOM 311 C SER C 64 15.479 41.995 31.130 1.00 42.52 C +ATOM 312 O SER C 64 16.461 41.476 31.658 1.00 44.65 O +ATOM 313 CB SER C 64 14.549 44.210 31.920 1.00 34.09 C +ATOM 314 OG SER C 64 13.197 43.803 31.822 1.00 38.14 O +ATOM 315 N ARG C 65 14.429 41.294 30.713 1.00 47.18 N +ATOM 316 CA ARG C 65 14.334 39.857 30.948 1.00 50.99 C +ATOM 317 C ARG C 65 14.519 39.038 29.674 1.00 39.96 C +ATOM 318 O ARG C 65 14.250 37.836 29.650 1.00 36.88 O +ATOM 319 CB ARG C 65 13.011 39.509 31.645 1.00 61.70 C +ATOM 320 CG ARG C 65 12.920 40.077 33.055 1.00 66.54 C +ATOM 321 CD ARG C 65 11.661 39.654 33.777 1.00 71.56 C +ATOM 322 NE ARG C 65 11.711 40.076 35.171 1.00 78.30 N +ATOM 323 CZ ARG C 65 11.520 41.327 35.584 1.00 86.18 C +ATOM 324 NH1 ARG C 65 11.264 42.295 34.711 1.00 86.85 N +ATOM 325 NH2 ARG C 65 11.586 41.613 36.878 1.00 91.61 N +ATOM 326 N SER C 66 14.999 39.697 28.626 1.00 34.45 N +ATOM 327 CA SER C 66 15.256 39.056 27.333 1.00 38.14 C +ATOM 328 C SER C 66 14.179 38.066 26.865 1.00 32.58 C +ATOM 329 O SER C 66 14.463 36.894 26.624 1.00 30.70 O +ATOM 330 CB SER C 66 16.638 38.390 27.317 1.00 44.72 C +ATOM 331 OG SER C 66 17.640 39.303 26.895 1.00 48.62 O +ATOM 332 N THR C 67 12.943 38.542 26.748 1.00 21.22 N +ATOM 333 CA THR C 67 11.885 37.771 26.109 1.00 16.67 C +ATOM 334 C THR C 67 11.391 38.640 24.960 1.00 15.17 C +ATOM 335 O THR C 67 11.885 39.756 24.778 1.00 14.71 O +ATOM 336 CB THR C 67 10.741 37.441 27.082 1.00 14.78 C +ATOM 337 OG1 THR C 67 10.226 38.652 27.661 1.00 16.27 O +ATOM 338 CG2 THR C 67 11.227 36.488 28.185 1.00 17.48 C +ATOM 339 N TYR C 68 10.450 38.148 24.169 1.00 11.65 N +ATOM 340 CA TYR C 68 9.988 38.945 23.034 1.00 12.19 C +ATOM 341 C TYR C 68 8.597 38.568 22.591 1.00 13.49 C +ATOM 342 O TYR C 68 8.004 37.609 23.099 1.00 12.18 O +ATOM 343 CB TYR C 68 10.958 38.842 21.839 1.00 11.98 C +ATOM 344 CG TYR C 68 11.080 37.457 21.240 1.00 14.55 C +ATOM 345 CD1 TYR C 68 10.387 37.107 20.081 1.00 16.51 C +ATOM 346 CD2 TYR C 68 11.895 36.497 21.835 1.00 12.43 C +ATOM 347 CE1 TYR C 68 10.504 35.829 19.530 1.00 15.83 C +ATOM 348 CE2 TYR C 68 12.017 35.229 21.299 1.00 15.78 C +ATOM 349 CZ TYR C 68 11.327 34.902 20.148 1.00 17.04 C +ATOM 350 OH TYR C 68 11.477 33.636 19.637 1.00 17.57 O +ATOM 351 N ASN C 69 8.090 39.356 21.648 1.00 11.14 N +ATOM 352 CA ASN C 69 6.820 39.108 20.977 1.00 16.68 C +ATOM 353 C ASN C 69 7.005 39.257 19.465 1.00 16.47 C +ATOM 354 O ASN C 69 7.533 40.267 18.995 1.00 15.56 O +ATOM 355 CB ASN C 69 5.732 40.074 21.493 1.00 16.83 C +ATOM 356 CG ASN C 69 5.369 39.839 22.972 1.00 19.01 C +ATOM 357 OD1 ASN C 69 5.856 40.540 23.850 1.00 19.84 O +ATOM 358 ND2 ASN C 69 4.500 38.862 23.235 1.00 15.98 N +ATOM 359 N ASP C 70 6.603 38.243 18.706 1.00 13.38 N +ATOM 360 CA ASP C 70 6.620 38.331 17.245 1.00 12.33 C +ATOM 361 C ASP C 70 5.203 38.514 16.726 1.00 12.42 C +ATOM 362 O ASP C 70 4.251 37.959 17.282 1.00 14.21 O +ATOM 363 CB ASP C 70 7.187 37.055 16.605 1.00 16.24 C +ATOM 364 CG ASP C 70 8.702 36.988 16.643 1.00 17.98 C +ATOM 365 OD1 ASP C 70 9.346 37.978 17.029 1.00 17.63 O +ATOM 366 OD2 ASP C 70 9.251 35.938 16.275 1.00 16.81 O +ATOM 367 N THR C 71 5.064 39.272 15.645 1.00 9.82 N +ATOM 368 CA THR C 71 3.785 39.345 14.940 1.00 10.82 C +ATOM 369 C THR C 71 3.988 39.517 13.437 1.00 13.27 C +ATOM 370 O THR C 71 4.859 40.271 13.005 1.00 16.21 O +ATOM 371 CB THR C 71 2.864 40.451 15.521 1.00 16.80 C +ATOM 372 OG1 THR C 71 1.550 40.338 14.955 1.00 20.07 O +ATOM 373 CG2 THR C 71 3.431 41.837 15.243 1.00 14.19 C +ATOM 374 N GLU C 72 3.212 38.775 12.653 1.00 12.97 N +ATOM 375 CA GLU C 72 3.189 38.931 11.200 1.00 17.42 C +ATOM 376 C GLU C 72 2.005 39.810 10.778 1.00 13.59 C +ATOM 377 O GLU C 72 1.756 40.004 9.588 1.00 14.13 O +ATOM 378 CB GLU C 72 3.131 37.566 10.480 1.00 19.36 C +ATOM 379 CG GLU C 72 4.433 36.780 10.515 1.00 23.60 C +ATOM 380 CD GLU C 72 4.795 36.385 11.918 1.00 32.39 C +ATOM 381 OE1 GLU C 72 3.876 35.925 12.640 1.00 30.89 O +ATOM 382 OE2 GLU C 72 5.983 36.539 12.311 1.00 35.58 O +ATOM 383 N ASP C 73 1.271 40.321 11.763 1.00 13.42 N +ATOM 384 CA ASP C 73 0.149 41.201 11.483 1.00 17.93 C +ATOM 385 C ASP C 73 0.655 42.607 11.168 1.00 18.94 C +ATOM 386 O ASP C 73 0.634 43.489 12.016 1.00 18.81 O +ATOM 387 CB ASP C 73 -0.832 41.246 12.650 1.00 18.28 C +ATOM 388 CG ASP C 73 -2.086 42.043 12.307 1.00 20.66 C +ATOM 389 OD1 ASP C 73 -2.428 42.097 11.098 1.00 18.30 O +ATOM 390 OD2 ASP C 73 -2.702 42.628 13.224 1.00 21.81 O +ATOM 391 N VAL C 74 1.114 42.791 9.938 1.00 16.09 N +ATOM 392 CA VAL C 74 1.721 44.036 9.494 1.00 16.30 C +ATOM 393 C VAL C 74 0.746 44.798 8.580 1.00 16.41 C +ATOM 394 O VAL C 74 0.047 44.196 7.761 1.00 14.99 O +ATOM 395 CB VAL C 74 3.055 43.748 8.746 1.00 18.06 C +ATOM 396 CG1 VAL C 74 3.679 45.022 8.200 1.00 16.28 C +ATOM 397 CG2 VAL C 74 4.037 42.986 9.650 1.00 13.53 C +ATOM 398 N SER C 75 0.681 46.117 8.743 1.00 18.08 N +ATOM 399 CA SER C 75 -0.072 46.972 7.813 1.00 18.24 C +ATOM 400 C SER C 75 0.644 48.307 7.565 1.00 17.42 C +ATOM 401 O SER C 75 1.589 48.660 8.272 1.00 16.96 O +ATOM 402 CB SER C 75 -1.513 47.194 8.287 1.00 16.47 C +ATOM 403 OG SER C 75 -1.540 47.743 9.585 1.00 16.23 O +ATOM 404 N GLN C 76 0.194 49.036 6.552 1.00 17.52 N +ATOM 405 CA GLN C 76 0.824 50.293 6.173 1.00 13.78 C +ATOM 406 C GLN C 76 0.008 51.488 6.597 1.00 14.94 C +ATOM 407 O GLN C 76 -1.217 51.486 6.497 1.00 17.34 O +ATOM 408 CB GLN C 76 0.988 50.351 4.655 1.00 16.32 C +ATOM 409 CG GLN C 76 1.737 49.188 4.065 1.00 16.80 C +ATOM 410 CD GLN C 76 2.118 49.432 2.623 1.00 23.00 C +ATOM 411 OE1 GLN C 76 1.742 48.673 1.734 1.00 27.31 O +ATOM 412 NE2 GLN C 76 2.862 50.502 2.384 1.00 28.00 N +ATOM 413 N ALA C 77 0.702 52.523 7.054 1.00 21.66 N +ATOM 414 CA ALA C 77 0.080 53.824 7.310 1.00 26.91 C +ATOM 415 C ALA C 77 0.344 54.756 6.137 1.00 25.02 C +ATOM 416 O ALA C 77 -0.286 55.804 6.019 1.00 25.83 O +ATOM 417 CB ALA C 77 0.623 54.436 8.599 1.00 27.32 C +ATOM 418 N SER C 78 1.297 54.368 5.288 1.00 25.51 N +ATOM 419 CA SER C 78 1.662 55.129 4.092 1.00 31.36 C +ATOM 420 C SER C 78 2.440 54.217 3.133 1.00 33.79 C +ATOM 421 O SER C 78 2.785 53.090 3.509 1.00 29.99 O +ATOM 422 CB SER C 78 2.478 56.385 4.456 1.00 28.27 C +ATOM 423 OG SER C 78 3.802 56.054 4.817 1.00 28.70 O +ATOM 424 N PRO C 79 2.713 54.694 1.897 1.00 34.53 N +ATOM 425 CA PRO C 79 3.318 53.849 0.853 1.00 36.45 C +ATOM 426 C PRO C 79 4.770 53.433 1.146 1.00 34.87 C +ATOM 427 O PRO C 79 5.257 52.439 0.582 1.00 34.31 O +ATOM 428 CB PRO C 79 3.253 54.740 -0.405 1.00 36.46 C +ATOM 429 CG PRO C 79 2.212 55.774 -0.102 1.00 35.56 C +ATOM 430 CD PRO C 79 2.368 56.029 1.373 1.00 34.94 C +ATOM 431 N SER C 80 5.441 54.180 2.021 1.00 28.40 N +ATOM 432 CA SER C 80 6.823 53.878 2.389 1.00 27.22 C +ATOM 433 C SER C 80 6.960 53.526 3.872 1.00 24.76 C +ATOM 434 O SER C 80 7.985 53.818 4.489 1.00 27.90 O +ATOM 435 CB SER C 80 7.719 55.076 2.075 1.00 27.49 C +ATOM 436 OG SER C 80 7.256 56.217 2.776 1.00 29.93 O +ATOM 437 N GLU C 81 5.927 52.915 4.443 1.00 20.73 N +ATOM 438 CA GLU C 81 5.967 52.519 5.847 1.00 15.57 C +ATOM 439 C GLU C 81 5.082 51.312 6.087 1.00 18.61 C +ATOM 440 O GLU C 81 4.013 51.198 5.497 1.00 19.24 O +ATOM 441 CB GLU C 81 5.521 53.673 6.750 1.00 17.59 C +ATOM 442 CG GLU C 81 5.678 53.413 8.260 1.00 18.66 C +ATOM 443 CD GLU C 81 4.388 52.972 8.953 1.00 19.36 C +ATOM 444 OE1 GLU C 81 3.508 52.380 8.296 1.00 23.21 O +ATOM 445 OE2 GLU C 81 4.252 53.215 10.169 1.00 19.80 O +ATOM 446 N SER C 82 5.540 50.403 6.940 1.00 16.48 N +ATOM 447 CA SER C 82 4.671 49.381 7.505 1.00 13.60 C +ATOM 448 C SER C 82 4.925 49.328 9.009 1.00 15.75 C +ATOM 449 O SER C 82 5.936 49.841 9.503 1.00 12.47 O +ATOM 450 CB SER C 82 4.858 48.014 6.829 1.00 15.62 C +ATOM 451 OG SER C 82 5.977 47.297 7.322 1.00 14.00 O +ATOM 452 N GLU C 83 3.984 48.745 9.741 1.00 22.55 N +ATOM 453 CA GLU C 83 4.034 48.768 11.200 1.00 21.62 C +ATOM 454 C GLU C 83 3.278 47.595 11.830 1.00 17.57 C +ATOM 455 O GLU C 83 2.459 46.928 11.179 1.00 16.12 O +ATOM 456 CB GLU C 83 3.462 50.088 11.729 1.00 20.60 C +ATOM 457 CG GLU C 83 1.992 50.296 11.365 1.00 20.60 C +ATOM 458 CD GLU C 83 1.445 51.618 11.859 1.00 20.85 C +ATOM 459 OE1 GLU C 83 2.022 52.662 11.507 1.00 23.20 O +ATOM 460 OE2 GLU C 83 0.431 51.611 12.583 1.00 22.13 O +ATOM 461 N ALA C 84 3.583 47.349 13.100 1.00 17.00 N +ATOM 462 CA ALA C 84 2.814 46.425 13.916 1.00 14.32 C +ATOM 463 C ALA C 84 2.726 47.018 15.328 1.00 15.80 C +ATOM 464 O ALA C 84 3.570 47.838 15.735 1.00 14.12 O +ATOM 465 CB ALA C 84 3.458 45.050 13.940 1.00 8.44 C +ATOM 466 N ARG C 85 1.698 46.601 16.059 1.00 15.94 N +ATOM 467 CA AARG C 85 1.465 47.103 17.408 0.45 19.61 C +ATOM 468 CA BARG C 85 1.450 47.084 17.404 0.55 19.87 C +ATOM 469 C ARG C 85 1.450 45.955 18.413 1.00 16.14 C +ATOM 470 O ARG C 85 1.048 44.831 18.094 1.00 16.99 O +ATOM 471 CB AARG C 85 0.152 47.886 17.465 0.45 20.53 C +ATOM 472 CB BARG C 85 0.127 47.853 17.454 0.55 20.50 C +ATOM 473 CG AARG C 85 0.137 49.099 16.546 0.45 21.80 C +ATOM 474 CG BARG C 85 0.198 49.128 16.664 0.55 21.80 C +ATOM 475 CD AARG C 85 -1.290 49.534 16.253 0.45 22.84 C +ATOM 476 CD BARG C 85 -1.162 49.708 16.365 0.55 22.88 C +ATOM 477 NE AARG C 85 -1.990 49.999 17.453 0.45 23.39 N +ATOM 478 NE BARG C 85 -1.005 50.828 15.445 0.55 21.84 N +ATOM 479 CZ AARG C 85 -1.948 51.252 17.907 0.45 21.39 C +ATOM 480 CZ BARG C 85 -0.773 52.073 15.829 0.55 19.76 C +ATOM 481 NH1AARG C 85 -2.616 51.581 19.004 0.45 20.15 N +ATOM 482 NH1BARG C 85 -0.625 53.023 14.924 0.55 20.18 N +ATOM 483 NH2AARG C 85 -1.234 52.180 17.274 0.45 20.47 N +ATOM 484 NH2BARG C 85 -0.700 52.365 17.123 0.55 21.04 N +ATOM 485 N PHE C 86 1.899 46.262 19.626 1.00 15.73 N +ATOM 486 CA PHE C 86 1.986 45.291 20.705 1.00 13.93 C +ATOM 487 C PHE C 86 1.359 45.909 21.946 1.00 21.50 C +ATOM 488 O PHE C 86 1.829 46.942 22.444 1.00 20.40 O +ATOM 489 CB PHE C 86 3.440 44.958 20.989 1.00 11.94 C +ATOM 490 CG PHE C 86 4.165 44.374 19.820 1.00 13.70 C +ATOM 491 CD1 PHE C 86 4.165 42.991 19.598 1.00 16.18 C +ATOM 492 CD2 PHE C 86 4.842 45.197 18.930 1.00 16.57 C +ATOM 493 CE1 PHE C 86 4.842 42.450 18.511 1.00 18.90 C +ATOM 494 CE2 PHE C 86 5.527 44.657 17.840 1.00 15.10 C +ATOM 495 CZ PHE C 86 5.529 43.289 17.634 1.00 15.75 C +ATOM 496 N ARG C 87 0.300 45.274 22.442 1.00 25.71 N +ATOM 497 CA ARG C 87 -0.477 45.827 23.548 1.00 23.64 C +ATOM 498 C ARG C 87 -0.208 45.109 24.861 1.00 20.39 C +ATOM 499 O ARG C 87 -0.142 43.884 24.919 1.00 25.76 O +ATOM 500 CB ARG C 87 -1.975 45.793 23.226 1.00 25.85 C +ATOM 501 CG ARG C 87 -2.815 46.677 24.139 1.00 30.88 C +ATOM 502 CD ARG C 87 -4.307 46.377 24.027 1.00 36.94 C +ATOM 503 NE ARG C 87 -5.048 46.984 25.133 1.00 42.13 N +ATOM 504 CZ ARG C 87 -5.630 48.179 25.082 1.00 44.95 C +ATOM 505 NH1 ARG C 87 -5.584 48.903 23.968 1.00 44.20 N +ATOM 506 NH2 ARG C 87 -6.269 48.648 26.146 1.00 48.04 N +ATOM 507 N ILE C 88 -0.019 45.889 25.909 1.00 23.15 N +ATOM 508 CA ILE C 88 0.055 45.351 27.255 1.00 24.33 C +ATOM 509 C ILE C 88 -1.213 45.805 27.986 1.00 24.84 C +ATOM 510 O ILE C 88 -1.371 46.983 28.304 1.00 24.31 O +ATOM 511 CB ILE C 88 1.350 45.799 27.997 1.00 30.77 C +ATOM 512 CG1 ILE C 88 2.593 45.476 27.160 1.00 27.85 C +ATOM 513 CG2 ILE C 88 1.464 45.121 29.347 1.00 30.00 C +ATOM 514 CD1 ILE C 88 3.861 45.350 27.972 1.00 23.68 C +ATOM 515 N ASP C 89 -2.132 44.866 28.208 1.00 28.74 N +ATOM 516 CA ASP C 89 -3.413 45.170 28.850 1.00 33.25 C +ATOM 517 C ASP C 89 -3.266 45.789 30.235 1.00 30.49 C +ATOM 518 O ASP C 89 -3.681 46.918 30.461 1.00 27.46 O +ATOM 519 CB ASP C 89 -4.284 43.918 28.936 1.00 42.00 C +ATOM 520 CG ASP C 89 -5.190 43.765 27.740 1.00 54.22 C +ATOM 521 OD1 ASP C 89 -5.295 44.728 26.950 1.00 59.71 O +ATOM 522 OD2 ASP C 89 -5.800 42.687 27.593 1.00 58.76 O +ATOM 523 N SER C 90 -2.686 45.035 31.163 1.00 30.95 N +ATOM 524 CA SER C 90 -2.432 45.542 32.509 1.00 34.28 C +ATOM 525 C SER C 90 -0.937 45.541 32.832 1.00 34.52 C +ATOM 526 O SER C 90 -0.321 44.483 32.976 1.00 36.37 O +ATOM 527 CB SER C 90 -3.207 44.725 33.558 1.00 35.37 C +ATOM 528 OG SER C 90 -2.826 45.073 34.887 1.00 31.70 O +ATOM 529 N VAL C 91 -0.352 46.730 32.946 1.00 33.17 N +ATOM 530 CA VAL C 91 1.072 46.835 33.237 1.00 32.40 C +ATOM 531 C VAL C 91 1.393 46.414 34.677 1.00 36.72 C +ATOM 532 O VAL C 91 0.744 46.859 35.626 1.00 37.17 O +ATOM 533 CB VAL C 91 1.620 48.258 32.954 1.00 34.16 C +ATOM 534 CG1 VAL C 91 1.620 48.549 31.444 1.00 34.84 C +ATOM 535 CG2 VAL C 91 0.820 49.297 33.711 1.00 35.15 C +ATOM 536 N SER C 92 2.381 45.531 34.820 1.00 37.90 N +ATOM 537 CA SER C 92 2.926 45.165 36.123 1.00 41.11 C +ATOM 538 C SER C 92 4.300 45.812 36.265 1.00 45.96 C +ATOM 539 O SER C 92 4.829 46.379 35.297 1.00 42.37 O +ATOM 540 CB SER C 92 3.040 43.646 36.264 1.00 42.71 C +ATOM 541 OG SER C 92 4.092 43.122 35.463 1.00 44.26 O +ATOM 542 N GLU C 93 4.874 45.734 37.466 1.00 48.73 N +ATOM 543 CA GLU C 93 6.183 46.331 37.724 1.00 46.56 C +ATOM 544 C GLU C 93 7.277 45.612 36.946 1.00 35.41 C +ATOM 545 O GLU C 93 8.301 46.202 36.614 1.00 32.43 O +ATOM 546 CB GLU C 93 6.507 46.331 39.221 1.00 55.61 C +ATOM 547 CG GLU C 93 7.681 47.241 39.605 1.00 64.76 C +ATOM 548 CD GLU C 93 7.496 48.681 39.132 1.00 68.39 C +ATOM 549 OE1 GLU C 93 6.341 49.078 38.865 1.00 70.07 O +ATOM 550 OE2 GLU C 93 8.504 49.416 39.026 1.00 66.64 O +ATOM 551 N GLY C 94 7.050 44.332 36.661 1.00 36.84 N +ATOM 552 CA GLY C 94 7.954 43.556 35.828 1.00 36.40 C +ATOM 553 C GLY C 94 7.956 44.040 34.388 1.00 30.33 C +ATOM 554 O GLY C 94 8.824 43.666 33.602 1.00 30.62 O +ATOM 555 N ASN C 95 6.976 44.873 34.043 1.00 28.60 N +ATOM 556 CA ASN C 95 6.894 45.462 32.706 1.00 27.80 C +ATOM 557 C ASN C 95 7.852 46.639 32.491 1.00 27.41 C +ATOM 558 O ASN C 95 8.360 46.838 31.391 1.00 25.58 O +ATOM 559 CB ASN C 95 5.461 45.878 32.382 1.00 24.74 C +ATOM 560 CG ASN C 95 4.600 44.706 31.950 1.00 26.05 C +ATOM 561 OD1 ASN C 95 3.386 44.715 32.140 1.00 26.93 O +ATOM 562 ND2 ASN C 95 5.227 43.690 31.365 1.00 21.92 N +ATOM 563 N ALA C 96 8.100 47.415 33.542 1.00 24.20 N +ATOM 564 CA ALA C 96 8.965 48.573 33.412 1.00 21.57 C +ATOM 565 C ALA C 96 10.353 48.124 32.965 1.00 24.04 C +ATOM 566 O ALA C 96 10.851 47.077 33.389 1.00 28.84 O +ATOM 567 CB ALA C 96 9.042 49.332 34.722 1.00 24.04 C +ATOM 568 N GLY C 97 10.977 48.922 32.106 1.00 24.10 N +ATOM 569 CA GLY C 97 12.321 48.638 31.638 1.00 20.79 C +ATOM 570 C GLY C 97 12.500 49.015 30.184 1.00 17.87 C +ATOM 571 O GLY C 97 11.608 49.621 29.594 1.00 16.85 O +ATOM 572 N PRO C 98 13.654 48.643 29.608 1.00 19.50 N +ATOM 573 CA PRO C 98 14.095 48.876 28.225 1.00 19.67 C +ATOM 574 C PRO C 98 13.366 47.999 27.203 1.00 17.49 C +ATOM 575 O PRO C 98 13.241 46.791 27.410 1.00 12.01 O +ATOM 576 CB PRO C 98 15.573 48.461 28.251 1.00 21.77 C +ATOM 577 CG PRO C 98 15.908 48.216 29.688 1.00 24.60 C +ATOM 578 CD PRO C 98 14.638 47.848 30.350 1.00 19.21 C +ATOM 579 N TYR C 99 12.913 48.616 26.115 1.00 14.38 N +ATOM 580 CA TYR C 99 12.262 47.920 25.028 1.00 9.80 C +ATOM 581 C TYR C 99 12.865 48.377 23.728 1.00 15.88 C +ATOM 582 O TYR C 99 13.204 49.554 23.590 1.00 17.66 O +ATOM 583 CB TYR C 99 10.778 48.271 24.973 1.00 15.41 C +ATOM 584 CG TYR C 99 9.948 47.654 26.058 1.00 14.79 C +ATOM 585 CD1 TYR C 99 9.942 48.194 27.329 1.00 18.39 C +ATOM 586 CD2 TYR C 99 9.140 46.535 25.804 1.00 18.48 C +ATOM 587 CE1 TYR C 99 9.172 47.641 28.330 1.00 17.12 C +ATOM 588 CE2 TYR C 99 8.358 45.973 26.809 1.00 17.73 C +ATOM 589 CZ TYR C 99 8.384 46.538 28.069 1.00 16.64 C +ATOM 590 OH TYR C 99 7.634 46.010 29.096 1.00 20.58 O +ATOM 591 N ARG C 100 12.982 47.452 22.778 1.00 14.93 N +ATOM 592 CA ARG C 100 13.373 47.771 21.400 1.00 18.15 C +ATOM 593 C ARG C 100 12.498 47.014 20.397 1.00 15.26 C +ATOM 594 O ARG C 100 11.722 46.133 20.778 1.00 15.07 O +ATOM 595 CB ARG C 100 14.842 47.395 21.136 1.00 17.01 C +ATOM 596 CG ARG C 100 15.856 48.313 21.755 1.00 18.80 C +ATOM 597 CD ARG C 100 17.258 48.002 21.244 1.00 22.31 C +ATOM 598 NE ARG C 100 17.706 46.644 21.553 1.00 20.12 N +ATOM 599 CZ ARG C 100 18.977 46.255 21.471 1.00 19.37 C +ATOM 600 NH1 ARG C 100 19.907 47.121 21.098 1.00 19.46 N +ATOM 601 NH2 ARG C 100 19.323 45.011 21.758 1.00 18.99 N +ATOM 602 N ACYS C 101 12.659 47.382 19.117 0.65 12.05 N +ATOM 603 N BCYS C 101 12.613 47.341 19.124 0.35 12.45 N +ATOM 604 CA ACYS C 101 12.006 46.764 17.952 0.65 12.22 C +ATOM 605 CA BCYS C 101 12.037 46.454 18.135 0.35 11.26 C +ATOM 606 C ACYS C 101 13.073 46.251 16.972 0.65 13.64 C +ATOM 607 C BCYS C 101 13.011 46.240 16.988 0.35 12.81 C +ATOM 608 O ACYS C 101 14.149 46.856 16.839 0.65 13.02 O +ATOM 609 O BCYS C 101 13.963 47.012 16.775 0.35 13.59 O +ATOM 610 CB ACYS C 101 11.132 47.792 17.194 0.65 5.27 C +ATOM 611 CB BCYS C 101 10.662 46.945 17.666 0.35 7.49 C +ATOM 612 SG ACYS C 101 9.576 48.190 17.950 0.65 25.32 S +ATOM 613 SG BCYS C 101 10.705 48.404 16.622 0.35 8.66 S +ATOM 614 N ILE C 102 12.767 45.158 16.271 1.00 11.37 N +ATOM 615 CA ILE C 102 13.598 44.724 15.167 1.00 12.14 C +ATOM 616 C ILE C 102 12.585 44.095 14.216 1.00 13.87 C +ATOM 617 O ILE C 102 11.532 43.632 14.647 1.00 16.69 O +ATOM 618 CB ILE C 102 14.722 43.747 15.660 1.00 18.03 C +ATOM 619 CG1 ILE C 102 15.635 43.304 14.511 1.00 19.00 C +ATOM 620 CG2 ILE C 102 14.133 42.558 16.432 1.00 18.16 C +ATOM 621 CD1 ILE C 102 16.947 42.688 14.987 1.00 21.90 C +ATOM 622 N TYR C 103 12.848 44.128 12.921 1.00 11.22 N +ATOM 623 CA TYR C 103 11.913 43.504 11.999 1.00 11.93 C +ATOM 624 C TYR C 103 12.641 42.547 11.077 1.00 18.13 C +ATOM 625 O TYR C 103 13.865 42.639 10.900 1.00 15.04 O +ATOM 626 CB TYR C 103 11.117 44.541 11.197 1.00 12.79 C +ATOM 627 CG TYR C 103 11.941 45.407 10.254 1.00 14.11 C +ATOM 628 CD1 TYR C 103 12.338 46.685 10.637 1.00 13.70 C +ATOM 629 CD2 TYR C 103 12.307 44.950 8.978 1.00 13.39 C +ATOM 630 CE1 TYR C 103 13.088 47.498 9.781 1.00 15.42 C +ATOM 631 CE2 TYR C 103 13.054 45.751 8.115 1.00 13.54 C +ATOM 632 CZ TYR C 103 13.442 47.029 8.527 1.00 14.64 C +ATOM 633 OH TYR C 103 14.177 47.858 7.696 1.00 15.85 O +ATOM 634 N TYR C 104 11.879 41.618 10.510 1.00 16.78 N +ATOM 635 CA TYR C 104 12.395 40.729 9.501 1.00 15.33 C +ATOM 636 C TYR C 104 11.769 41.078 8.160 1.00 18.18 C +ATOM 637 O TYR C 104 10.546 40.990 7.988 1.00 17.51 O +ATOM 638 CB TYR C 104 12.111 39.271 9.864 1.00 20.56 C +ATOM 639 CG TYR C 104 12.752 38.334 8.879 1.00 19.38 C +ATOM 640 CD1 TYR C 104 14.133 38.215 8.825 1.00 19.33 C +ATOM 641 CD2 TYR C 104 11.991 37.617 7.979 1.00 20.85 C +ATOM 642 CE1 TYR C 104 14.740 37.397 7.918 1.00 21.83 C +ATOM 643 CE2 TYR C 104 12.590 36.780 7.063 1.00 26.65 C +ATOM 644 CZ TYR C 104 13.972 36.679 7.037 1.00 28.69 C +ATOM 645 OH TYR C 104 14.610 35.859 6.132 1.00 37.80 O +ATOM 646 N LYS C 105 12.612 41.509 7.224 1.00 19.11 N +ATOM 647 CA LYS C 105 12.196 41.724 5.848 1.00 21.30 C +ATOM 648 C LYS C 105 13.136 40.905 4.966 1.00 30.39 C +ATOM 649 O LYS C 105 14.287 41.295 4.751 1.00 32.15 O +ATOM 650 CB LYS C 105 12.264 43.209 5.494 1.00 13.64 C +ATOM 651 CG LYS C 105 11.935 43.508 4.047 1.00 15.62 C +ATOM 652 CD LYS C 105 11.804 44.999 3.793 1.00 20.02 C +ATOM 653 CE LYS C 105 11.364 45.272 2.363 1.00 21.63 C +ATOM 654 NZ LYS C 105 11.558 46.708 1.974 1.00 21.86 N +ATOM 655 N PRO C 106 12.655 39.755 4.467 1.00 31.86 N +ATOM 656 CA PRO C 106 13.487 38.837 3.675 1.00 38.93 C +ATOM 657 C PRO C 106 14.495 39.569 2.777 1.00 38.20 C +ATOM 658 O PRO C 106 14.123 40.503 2.062 1.00 35.51 O +ATOM 659 CB PRO C 106 12.453 38.076 2.847 1.00 41.12 C +ATOM 660 CG PRO C 106 11.268 38.006 3.756 1.00 38.21 C +ATOM 661 CD PRO C 106 11.253 39.308 4.533 1.00 33.84 C +ATOM 662 N PRO C 107 15.768 39.143 2.803 1.00 39.11 N +ATOM 663 CA PRO C 107 16.285 37.945 3.473 1.00 42.37 C +ATOM 664 C PRO C 107 16.765 38.157 4.918 1.00 47.47 C +ATOM 665 O PRO C 107 17.202 37.185 5.543 1.00 50.84 O +ATOM 666 CB PRO C 107 17.512 37.580 2.617 1.00 38.57 C +ATOM 667 CG PRO C 107 17.711 38.738 1.638 1.00 36.66 C +ATOM 668 CD PRO C 107 16.843 39.856 2.101 1.00 38.61 C +ATOM 669 N LYS C 108 16.707 39.379 5.444 1.00 43.94 N +ATOM 670 CA LYS C 108 17.435 39.660 6.685 1.00 42.25 C +ATOM 671 C LYS C 108 16.631 40.242 7.841 1.00 27.76 C +ATOM 672 O LYS C 108 15.511 40.721 7.669 1.00 23.02 O +ATOM 673 CB LYS C 108 18.659 40.546 6.399 1.00 51.17 C +ATOM 674 CG LYS C 108 19.742 39.835 5.596 1.00 59.88 C +ATOM 675 CD LYS C 108 20.920 40.738 5.275 1.00 65.88 C +ATOM 676 CE LYS C 108 21.974 39.974 4.480 1.00 69.72 C +ATOM 677 NZ LYS C 108 22.329 38.683 5.146 1.00 68.56 N +ATOM 678 N TRP C 109 17.227 40.168 9.029 1.00 25.36 N +ATOM 679 CA TRP C 109 16.743 40.923 10.184 1.00 23.42 C +ATOM 680 C TRP C 109 17.337 42.326 10.111 1.00 22.11 C +ATOM 681 O TRP C 109 18.505 42.507 9.724 1.00 19.15 O +ATOM 682 CB TRP C 109 17.118 40.242 11.510 1.00 22.05 C +ATOM 683 CG TRP C 109 16.258 39.047 11.845 1.00 22.37 C +ATOM 684 CD1 TRP C 109 16.545 37.739 11.588 1.00 19.29 C +ATOM 685 CD2 TRP C 109 14.975 39.057 12.496 1.00 18.28 C +ATOM 686 NE1 TRP C 109 15.524 36.936 12.031 1.00 22.44 N +ATOM 687 CE2 TRP C 109 14.549 37.717 12.595 1.00 21.10 C +ATOM 688 CE3 TRP C 109 14.155 40.068 13.017 1.00 15.46 C +ATOM 689 CZ2 TRP C 109 13.328 37.354 13.184 1.00 22.00 C +ATOM 690 CZ3 TRP C 109 12.935 39.708 13.596 1.00 18.62 C +ATOM 691 CH2 TRP C 109 12.538 38.361 13.677 1.00 18.24 C +ATOM 692 N SER C 110 16.518 43.312 10.458 1.00 19.43 N +ATOM 693 CA SER C 110 16.959 44.693 10.518 1.00 19.49 C +ATOM 694 C SER C 110 17.939 44.886 11.677 1.00 23.22 C +ATOM 695 O SER C 110 18.151 43.983 12.504 1.00 17.10 O +ATOM 696 CB SER C 110 15.759 45.623 10.706 1.00 15.19 C +ATOM 697 OG SER C 110 15.334 45.621 12.053 1.00 13.88 O +ATOM 698 N GLU C 111 18.544 46.069 11.721 1.00 22.49 N +ATOM 699 CA GLU C 111 19.285 46.491 12.890 1.00 21.74 C +ATOM 700 C GLU C 111 18.304 46.821 14.015 1.00 16.62 C +ATOM 701 O GLU C 111 17.098 46.942 13.790 1.00 15.87 O +ATOM 702 CB GLU C 111 20.145 47.711 12.541 1.00 25.01 C +ATOM 703 CG GLU C 111 21.188 47.423 11.468 1.00 38.59 C +ATOM 704 CD GLU C 111 22.176 46.318 11.859 1.00 55.05 C +ATOM 705 OE1 GLU C 111 22.806 46.410 12.949 1.00 61.81 O +ATOM 706 OE2 GLU C 111 22.332 45.370 11.051 1.00 58.99 O +ATOM 707 N GLN C 112 18.818 46.952 15.230 1.00 16.91 N +ATOM 708 CA GLN C 112 17.984 47.334 16.372 1.00 17.73 C +ATOM 709 C GLN C 112 17.453 48.776 16.286 1.00 17.68 C +ATOM 710 O GLN C 112 18.165 49.707 15.890 1.00 15.53 O +ATOM 711 CB GLN C 112 18.760 47.153 17.687 1.00 16.59 C +ATOM 712 CG GLN C 112 19.191 45.715 17.992 1.00 20.78 C +ATOM 713 CD GLN C 112 18.026 44.783 18.324 1.00 20.40 C +ATOM 714 OE1 GLN C 112 16.897 45.232 18.538 1.00 19.23 O +ATOM 715 NE2 GLN C 112 18.304 43.477 18.378 1.00 16.99 N +ATOM 716 N SER C 113 16.200 48.953 16.686 1.00 13.29 N +ATOM 717 CA SER C 113 15.668 50.276 16.957 1.00 15.21 C +ATOM 718 C SER C 113 16.409 50.873 18.157 1.00 20.26 C +ATOM 719 O SER C 113 17.074 50.163 18.918 1.00 19.88 O +ATOM 720 CB SER C 113 14.183 50.175 17.308 1.00 14.16 C +ATOM 721 OG SER C 113 13.999 49.824 18.670 1.00 10.86 O +ATOM 722 N ASP C 114 16.293 52.178 18.334 1.00 15.55 N +ATOM 723 CA ASP C 114 16.767 52.789 19.566 1.00 21.54 C +ATOM 724 C ASP C 114 15.990 52.229 20.757 1.00 19.64 C +ATOM 725 O ASP C 114 14.921 51.628 20.580 1.00 14.60 O +ATOM 726 CB ASP C 114 16.593 54.301 19.500 1.00 27.40 C +ATOM 727 CG ASP C 114 17.704 55.029 20.182 1.00 39.35 C +ATOM 728 OD1 ASP C 114 18.242 54.507 21.195 1.00 40.13 O +ATOM 729 OD2 ASP C 114 18.044 56.124 19.694 1.00 47.34 O +ATOM 730 N TYR C 115 16.533 52.430 21.961 1.00 17.04 N +ATOM 731 CA TYR C 115 15.859 52.022 23.189 1.00 17.87 C +ATOM 732 C TYR C 115 14.735 52.965 23.556 1.00 24.19 C +ATOM 733 O TYR C 115 14.786 54.165 23.300 1.00 26.57 O +ATOM 734 CB TYR C 115 16.832 51.925 24.366 1.00 19.32 C +ATOM 735 CG TYR C 115 17.655 50.655 24.366 1.00 21.35 C +ATOM 736 CD1 TYR C 115 18.985 50.659 23.927 1.00 25.44 C +ATOM 737 CD2 TYR C 115 17.099 49.448 24.778 1.00 23.28 C +ATOM 738 CE1 TYR C 115 19.741 49.496 23.916 1.00 25.80 C +ATOM 739 CE2 TYR C 115 17.842 48.275 24.767 1.00 25.42 C +ATOM 740 CZ TYR C 115 19.161 48.308 24.339 1.00 26.06 C +ATOM 741 OH TYR C 115 19.898 47.148 24.332 1.00 33.39 O +ATOM 742 N LEU C 116 13.712 52.387 24.160 1.00 21.53 N +ATOM 743 CA LEU C 116 12.639 53.129 24.782 1.00 21.36 C +ATOM 744 C LEU C 116 12.539 52.535 26.173 1.00 23.01 C +ATOM 745 O LEU C 116 12.639 51.321 26.340 1.00 26.03 O +ATOM 746 CB LEU C 116 11.333 52.903 24.019 1.00 30.25 C +ATOM 747 CG LEU C 116 10.251 53.978 24.077 1.00 35.87 C +ATOM 748 CD1 LEU C 116 10.620 55.180 23.200 1.00 40.96 C +ATOM 749 CD2 LEU C 116 8.914 53.397 23.673 1.00 33.48 C +ATOM 750 N GLU C 117 12.383 53.386 27.177 1.00 26.98 N +ATOM 751 CA GLU C 117 12.195 52.907 28.537 1.00 30.71 C +ATOM 752 C GLU C 117 10.758 53.121 29.002 1.00 30.52 C +ATOM 753 O GLU C 117 10.232 54.233 28.925 1.00 28.63 O +ATOM 754 CB GLU C 117 13.167 53.582 29.506 1.00 31.11 C +ATOM 755 CG GLU C 117 13.023 53.069 30.919 1.00 33.63 C +ATOM 756 CD GLU C 117 14.239 53.338 31.758 1.00 41.80 C +ATOM 757 OE1 GLU C 117 14.999 54.270 31.417 1.00 44.82 O +ATOM 758 OE2 GLU C 117 14.432 52.614 32.760 1.00 43.66 O +ATOM 759 N LEU C 118 10.125 52.042 29.459 1.00 24.80 N +ATOM 760 CA LEU C 118 8.798 52.141 30.026 1.00 24.07 C +ATOM 761 C LEU C 118 8.936 52.383 31.516 1.00 26.49 C +ATOM 762 O LEU C 118 9.691 51.682 32.193 1.00 23.62 O +ATOM 763 CB LEU C 118 8.002 50.866 29.782 1.00 21.42 C +ATOM 764 CG LEU C 118 6.543 50.929 30.216 1.00 21.11 C +ATOM 765 CD1 LEU C 118 5.880 52.088 29.524 1.00 24.65 C +ATOM 766 CD2 LEU C 118 5.837 49.643 29.884 1.00 24.87 C +ATOM 767 N LEU C 119 8.210 53.382 32.017 1.00 32.68 N +ATOM 768 CA LEU C 119 8.202 53.709 33.443 1.00 38.79 C +ATOM 769 C LEU C 119 6.868 53.335 34.089 1.00 38.85 C +ATOM 770 O LEU C 119 5.837 53.964 33.838 1.00 37.64 O +ATOM 771 CB LEU C 119 8.521 55.190 33.660 1.00 40.77 C +ATOM 772 CG LEU C 119 9.941 55.549 33.215 1.00 44.73 C +ATOM 773 CD1 LEU C 119 10.113 57.054 33.085 1.00 49.04 C +ATOM 774 CD2 LEU C 119 10.982 54.952 34.164 1.00 42.43 C +ATOM 775 N VAL C 120 6.894 52.288 34.904 1.00 39.77 N +ATOM 776 CA VAL C 120 5.685 51.815 35.570 1.00 48.65 C +ATOM 777 C VAL C 120 5.541 52.466 36.937 1.00 52.81 C +ATOM 778 O VAL C 120 6.107 52.006 37.938 1.00 54.04 O +ATOM 779 CB VAL C 120 5.669 50.282 35.715 1.00 51.61 C +ATOM 780 CG1 VAL C 120 4.490 49.838 36.587 1.00 45.72 C +ATOM 781 CG2 VAL C 120 5.635 49.620 34.331 1.00 52.59 C +ATOM 782 N LYS C 121 4.779 53.547 36.958 1.00 50.69 N +ATOM 783 CA LYS C 121 4.575 54.330 38.154 1.00 58.63 C +ATOM 784 C LYS C 121 3.497 55.305 37.751 1.00 66.18 C +ATOM 785 O LYS C 121 3.230 55.464 36.559 1.00 66.92 O +ATOM 786 CB LYS C 121 5.854 55.089 38.508 1.00 60.03 C +ATOM 787 CG LYS C 121 6.360 55.959 37.368 1.00 57.90 C +ATOM 788 CD LYS C 121 7.559 56.793 37.761 1.00 58.35 C +ATOM 789 CE LYS C 121 8.074 57.566 36.562 1.00 59.59 C +ATOM 790 NZ LYS C 121 9.020 58.642 36.952 1.00 63.76 N +ATOM 791 N GLU C 122 2.869 55.946 38.730 1.00 70.28 N +ATOM 792 CA GLU C 122 1.937 57.028 38.450 1.00 72.91 C +ATOM 793 C GLU C 122 2.623 58.052 37.530 1.00 71.80 C +ATOM 794 O GLU C 122 3.833 58.285 37.648 1.00 74.03 O +ATOM 795 CB GLU C 122 1.496 57.673 39.767 1.00 78.82 C +ATOM 796 CG GLU C 122 1.064 56.659 40.828 1.00 85.54 C +ATOM 797 CD GLU C 122 0.933 57.264 42.218 1.00 94.29 C +ATOM 798 OE1 GLU C 122 1.430 58.391 42.427 1.00 99.03 O +ATOM 799 OE2 GLU C 122 0.335 56.609 43.103 1.00 94.75 O +ATOM 800 N ALA C 123 1.873 58.641 36.599 1.00 64.35 N +ATOM 801 CA ALA C 123 2.451 59.638 35.698 1.00 58.47 C +ATOM 802 C ALA C 123 2.375 61.033 36.303 1.00 61.83 C +ATOM 803 O ALA C 123 3.216 61.886 36.025 1.00 64.54 O +ATOM 804 CB ALA C 123 1.764 59.610 34.351 1.00 54.77 C Added: SwiftApps/modFTdock/input/3kqi-2.pdb =================================================================== --- SwiftApps/modFTdock/input/3kqi-2.pdb (rev 0) +++ SwiftApps/modFTdock/input/3kqi-2.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,610 @@ +ATOM 1 N GLY A -1 -13.966 24.881 3.471 1.00 33.79 N +ATOM 2 CA GLY A -1 -14.168 24.044 2.248 1.00 33.22 C +ATOM 3 C GLY A -1 -15.223 24.594 1.310 1.00 32.88 C +ATOM 4 O GLY A -1 -15.370 25.806 1.170 1.00 32.13 O +ATOM 5 N SER A 0 -15.981 23.695 0.683 1.00 32.91 N +ATOM 6 CA SER A 0 -17.002 24.090 -0.290 1.00 33.05 C +ATOM 7 C SER A 0 -18.128 24.954 0.301 1.00 32.50 C +ATOM 8 O SER A 0 -18.782 25.693 -0.429 1.00 32.23 O +ATOM 9 CB SER A 0 -17.589 22.866 -0.994 1.00 33.38 C +ATOM 10 OG SER A 0 -18.221 22.005 -0.069 1.00 35.54 O +ATOM 11 N MET A 1 -18.335 24.867 1.615 1.00 31.97 N +ATOM 12 CA MET A 1 -19.394 25.640 2.285 1.00 31.57 C +ATOM 13 C MET A 1 -18.931 26.985 2.869 1.00 30.45 C +ATOM 14 O MET A 1 -19.686 27.656 3.589 1.00 30.43 O +ATOM 15 CB MET A 1 -20.077 24.784 3.361 1.00 32.42 C +ATOM 16 CG MET A 1 -20.791 23.555 2.802 1.00 34.00 C +ATOM 17 SD MET A 1 -21.971 23.970 1.494 1.00 40.67 S +ATOM 18 CE MET A 1 -22.335 22.342 0.845 1.00 36.60 C +ATOM 19 N ALA A 2 -17.699 27.381 2.550 1.00 29.06 N +ATOM 20 CA ALA A 2 -17.158 28.658 3.000 1.00 27.71 C +ATOM 21 C ALA A 2 -17.974 29.806 2.417 1.00 27.01 C +ATOM 22 O ALA A 2 -18.543 29.685 1.331 1.00 27.02 O +ATOM 23 CB ALA A 2 -15.696 28.798 2.593 1.00 27.83 C +ATOM 24 N THR A 3 -18.029 30.917 3.140 1.00 25.56 N +ATOM 25 CA THR A 3 -18.656 32.116 2.605 1.00 24.26 C +ATOM 26 C THR A 3 -17.645 32.840 1.725 1.00 23.58 C +ATOM 27 O THR A 3 -16.443 32.590 1.814 1.00 23.46 O +ATOM 28 CB THR A 3 -19.118 33.064 3.721 1.00 24.23 C +ATOM 29 OG1 THR A 3 -17.981 33.459 4.497 1.00 24.72 O +ATOM 30 CG2 THR A 3 -20.154 32.375 4.634 1.00 23.92 C +ATOM 31 N VAL A 4 -18.155 33.738 0.885 1.00 22.83 N +ATOM 32 CA AVAL A 4 -17.329 34.568 0.018 0.50 22.85 C +ATOM 33 CA BVAL A 4 -17.336 34.562 0.010 0.50 22.73 C +ATOM 34 C VAL A 4 -17.872 35.993 0.098 1.00 22.63 C +ATOM 35 O VAL A 4 -19.096 36.189 0.100 1.00 22.01 O +ATOM 36 CB AVAL A 4 -17.309 34.031 -1.454 0.50 23.28 C +ATOM 37 CB BVAL A 4 -17.399 34.026 -1.444 0.50 23.17 C +ATOM 38 CG1AVAL A 4 -18.649 34.257 -2.172 0.50 22.39 C +ATOM 39 CG1BVAL A 4 -16.797 34.996 -2.432 0.50 23.21 C +ATOM 40 CG2AVAL A 4 -16.160 34.619 -2.255 0.50 23.94 C +ATOM 41 CG2BVAL A 4 -16.715 32.657 -1.545 0.50 22.00 C +ATOM 42 N PRO A 5 -16.967 37.002 0.198 1.00 22.54 N +ATOM 43 CA PRO A 5 -17.430 38.397 0.147 1.00 22.09 C +ATOM 44 C PRO A 5 -18.141 38.732 -1.166 1.00 22.28 C +ATOM 45 O PRO A 5 -17.752 38.239 -2.227 1.00 21.87 O +ATOM 46 CB PRO A 5 -16.122 39.198 0.201 1.00 22.29 C +ATOM 47 CG PRO A 5 -15.180 38.300 0.950 1.00 22.09 C +ATOM 48 CD PRO A 5 -15.505 36.938 0.415 1.00 22.31 C +ATOM 49 N VAL A 6 -19.148 39.598 -1.085 1.00 21.73 N +ATOM 50 CA VAL A 6 -19.846 40.088 -2.278 1.00 21.60 C +ATOM 51 C VAL A 6 -19.875 41.608 -2.228 1.00 21.08 C +ATOM 52 O VAL A 6 -19.733 42.202 -1.158 1.00 20.27 O +ATOM 53 CB VAL A 6 -21.284 39.501 -2.420 1.00 21.55 C +ATOM 54 CG1 VAL A 6 -21.225 37.979 -2.639 1.00 22.02 C +ATOM 55 CG2 VAL A 6 -22.144 39.834 -1.213 1.00 22.36 C +ATOM 56 N TYR A 7 -20.047 42.224 -3.393 1.00 20.68 N +ATOM 57 CA TYR A 7 -19.843 43.657 -3.539 1.00 21.23 C +ATOM 58 C TYR A 7 -20.846 44.254 -4.507 1.00 21.25 C +ATOM 59 O TYR A 7 -21.600 43.525 -5.139 1.00 21.06 O +ATOM 60 CB TYR A 7 -18.433 43.919 -4.106 1.00 21.10 C +ATOM 61 CG TYR A 7 -17.304 43.341 -3.291 1.00 22.17 C +ATOM 62 CD1 TYR A 7 -16.780 44.034 -2.193 1.00 22.20 C +ATOM 63 CD2 TYR A 7 -16.765 42.091 -3.606 1.00 21.79 C +ATOM 64 CE1 TYR A 7 -15.741 43.499 -1.449 1.00 22.90 C +ATOM 65 CE2 TYR A 7 -15.723 41.553 -2.866 1.00 21.72 C +ATOM 66 CZ TYR A 7 -15.216 42.257 -1.798 1.00 21.31 C +ATOM 67 OH TYR A 7 -14.181 41.717 -1.070 1.00 21.91 O +ATOM 68 N CYS A 8 -20.842 45.584 -4.600 1.00 21.95 N +ATOM 69 CA CYS A 8 -21.490 46.320 -5.699 1.00 22.64 C +ATOM 70 C CYS A 8 -23.014 46.313 -5.609 1.00 23.38 C +ATOM 71 O CYS A 8 -23.590 45.730 -4.686 1.00 23.69 O +ATOM 72 CB CYS A 8 -21.015 45.777 -7.060 1.00 22.63 C +ATOM 73 SG CYS A 8 -21.360 46.800 -8.522 1.00 23.23 S +ATOM 74 N VAL A 9 -23.672 46.972 -6.561 1.00 23.47 N +ATOM 75 CA VAL A 9 -25.135 46.876 -6.655 1.00 24.28 C +ATOM 76 C VAL A 9 -25.594 45.481 -7.107 1.00 24.31 C +ATOM 77 O VAL A 9 -26.708 45.046 -6.793 1.00 24.94 O +ATOM 78 CB VAL A 9 -25.740 47.976 -7.571 1.00 24.28 C +ATOM 79 CG1 VAL A 9 -25.420 49.358 -7.021 1.00 25.05 C +ATOM 80 CG2 VAL A 9 -25.241 47.852 -9.007 1.00 25.24 C +ATOM 81 N CYS A 10 -24.729 44.771 -7.825 1.00 23.84 N +ATOM 82 CA CYS A 10 -25.094 43.458 -8.375 1.00 23.34 C +ATOM 83 C CYS A 10 -24.962 42.316 -7.363 1.00 23.12 C +ATOM 84 O CYS A 10 -25.474 41.217 -7.597 1.00 23.16 O +ATOM 85 CB CYS A 10 -24.252 43.166 -9.622 1.00 23.72 C +ATOM 86 SG CYS A 10 -22.474 43.180 -9.289 1.00 23.34 S +ATOM 87 N ARG A 11 -24.304 42.596 -6.238 1.00 22.39 N +ATOM 88 CA ARG A 11 -24.047 41.607 -5.166 1.00 22.45 C +ATOM 89 C ARG A 11 -23.335 40.355 -5.678 1.00 22.91 C +ATOM 90 O ARG A 11 -23.769 39.234 -5.424 1.00 23.43 O +ATOM 91 CB ARG A 11 -25.318 41.233 -4.379 1.00 22.25 C +ATOM 92 CG ARG A 11 -26.153 42.415 -3.899 1.00 22.23 C +ATOM 93 CD ARG A 11 -25.289 43.493 -3.274 1.00 22.42 C +ATOM 94 NE ARG A 11 -24.690 43.110 -1.997 1.00 22.71 N +ATOM 95 CZ ARG A 11 -23.664 43.753 -1.447 1.00 23.95 C +ATOM 96 NH1 ARG A 11 -23.119 44.778 -2.084 1.00 23.54 N +ATOM 97 NH2 ARG A 11 -23.173 43.373 -0.270 1.00 23.03 N +ATOM 98 N LEU A 12 -22.247 40.567 -6.416 1.00 22.84 N +ATOM 99 CA LEU A 12 -21.407 39.475 -6.873 1.00 23.39 C +ATOM 100 C LEU A 12 -20.100 39.415 -6.087 1.00 23.18 C +ATOM 101 O LEU A 12 -19.627 40.441 -5.577 1.00 22.86 O +ATOM 102 CB LEU A 12 -21.083 39.634 -8.365 1.00 23.22 C +ATOM 103 CG LEU A 12 -22.225 39.498 -9.384 1.00 25.46 C +ATOM 104 CD1 LEU A 12 -21.640 39.532 -10.797 1.00 26.49 C +ATOM 105 CD2 LEU A 12 -23.038 38.238 -9.188 1.00 27.34 C +ATOM 106 N PRO A 13 -19.491 38.212 -6.026 1.00 23.48 N +ATOM 107 CA PRO A 13 -18.152 38.071 -5.466 1.00 23.28 C +ATOM 108 C PRO A 13 -17.153 38.721 -6.415 1.00 23.07 C +ATOM 109 O PRO A 13 -17.483 39.009 -7.572 1.00 22.57 O +ATOM 110 CB PRO A 13 -17.915 36.561 -5.452 1.00 23.67 C +ATOM 111 CG PRO A 13 -19.210 35.919 -5.848 1.00 24.64 C +ATOM 112 CD PRO A 13 -20.017 36.940 -6.549 1.00 23.82 C +ATOM 113 N TYR A 14 -15.942 38.940 -5.921 1.00 22.19 N +ATOM 114 CA TYR A 14 -14.934 39.649 -6.679 1.00 22.23 C +ATOM 115 C TYR A 14 -14.497 38.848 -7.918 1.00 21.86 C +ATOM 116 O TYR A 14 -14.353 37.626 -7.861 1.00 21.72 O +ATOM 117 CB TYR A 14 -13.751 39.981 -5.756 1.00 22.38 C +ATOM 118 CG TYR A 14 -12.625 40.746 -6.423 1.00 22.06 C +ATOM 119 CD1 TYR A 14 -12.875 41.863 -7.228 1.00 22.61 C +ATOM 120 CD2 TYR A 14 -11.301 40.368 -6.212 1.00 23.62 C +ATOM 121 CE1 TYR A 14 -11.823 42.560 -7.834 1.00 21.33 C +ATOM 122 CE2 TYR A 14 -10.247 41.061 -6.810 1.00 23.89 C +ATOM 123 CZ TYR A 14 -10.520 42.147 -7.622 1.00 22.12 C +ATOM 124 OH TYR A 14 -9.472 42.831 -8.212 1.00 23.16 O +ATOM 125 N ASP A 15 -14.310 39.562 -9.026 1.00 21.57 N +ATOM 126 CA ASP A 15 -13.833 39.026 -10.294 1.00 21.48 C +ATOM 127 C ASP A 15 -12.634 39.890 -10.717 1.00 21.77 C +ATOM 128 O ASP A 15 -12.798 41.074 -11.038 1.00 21.60 O +ATOM 129 CB ASP A 15 -14.985 39.104 -11.310 1.00 21.27 C +ATOM 130 CG ASP A 15 -14.568 38.765 -12.746 1.00 21.67 C +ATOM 131 OD1 ASP A 15 -13.370 38.560 -13.031 1.00 22.43 O +ATOM 132 OD2 ASP A 15 -15.471 38.717 -13.608 1.00 21.06 O +ATOM 133 N VAL A 16 -11.428 39.319 -10.684 1.00 21.47 N +ATOM 134 CA VAL A 16 -10.209 40.124 -10.946 1.00 22.66 C +ATOM 135 C VAL A 16 -10.115 40.693 -12.367 1.00 22.90 C +ATOM 136 O VAL A 16 -9.251 41.532 -12.645 1.00 24.02 O +ATOM 137 CB VAL A 16 -8.894 39.340 -10.634 1.00 22.62 C +ATOM 138 CG1 VAL A 16 -8.909 38.847 -9.198 1.00 23.80 C +ATOM 139 CG2 VAL A 16 -8.708 38.169 -11.608 1.00 23.81 C +ATOM 140 N THR A 17 -10.985 40.230 -13.264 1.00 22.97 N +ATOM 141 CA THR A 17 -10.961 40.696 -14.658 1.00 22.79 C +ATOM 142 C THR A 17 -11.811 41.941 -14.882 1.00 22.90 C +ATOM 143 O THR A 17 -11.830 42.486 -15.988 1.00 23.41 O +ATOM 144 CB THR A 17 -11.397 39.585 -15.644 1.00 22.79 C +ATOM 145 OG1 THR A 17 -12.788 39.296 -15.470 1.00 22.49 O +ATOM 146 CG2 THR A 17 -10.582 38.330 -15.405 1.00 23.10 C +ATOM 147 N ARG A 18 -12.486 42.403 -13.826 1.00 22.93 N +ATOM 148 CA ARG A 18 -13.363 43.574 -13.919 1.00 23.05 C +ATOM 149 C ARG A 18 -12.908 44.705 -13.007 1.00 23.19 C +ATOM 150 O ARG A 18 -12.611 44.483 -11.831 1.00 23.08 O +ATOM 151 CB ARG A 18 -14.806 43.194 -13.581 1.00 23.25 C +ATOM 152 CG ARG A 18 -15.372 42.151 -14.534 1.00 23.10 C +ATOM 153 CD ARG A 18 -16.764 41.767 -14.127 1.00 22.77 C +ATOM 154 NE ARG A 18 -17.716 42.855 -14.343 1.00 23.23 N +ATOM 155 CZ ARG A 18 -18.973 42.823 -13.908 1.00 23.44 C +ATOM 156 NH1 ARG A 18 -19.407 41.773 -13.227 1.00 22.44 N +ATOM 157 NH2 ARG A 18 -19.789 43.842 -14.145 1.00 23.15 N +ATOM 158 N PHE A 19 -12.850 45.907 -13.573 1.00 22.88 N +ATOM 159 CA PHE A 19 -12.468 47.110 -12.845 1.00 23.56 C +ATOM 160 C PHE A 19 -13.496 47.446 -11.750 1.00 22.94 C +ATOM 161 O PHE A 19 -14.705 47.328 -11.970 1.00 23.45 O +ATOM 162 CB PHE A 19 -12.317 48.288 -13.822 1.00 24.02 C +ATOM 163 CG PHE A 19 -12.318 49.625 -13.153 1.00 25.10 C +ATOM 164 CD1 PHE A 19 -11.200 50.061 -12.440 1.00 25.95 C +ATOM 165 CD2 PHE A 19 -13.450 50.431 -13.202 1.00 25.75 C +ATOM 166 CE1 PHE A 19 -11.211 51.303 -11.796 1.00 27.73 C +ATOM 167 CE2 PHE A 19 -13.465 51.674 -12.555 1.00 27.23 C +ATOM 168 CZ PHE A 19 -12.351 52.091 -11.845 1.00 25.93 C +ATOM 169 N MET A 20 -13.009 47.867 -10.584 1.00 22.88 N +ATOM 170 CA MET A 20 -13.892 48.325 -9.495 1.00 22.71 C +ATOM 171 C MET A 20 -13.397 49.591 -8.802 1.00 23.16 C +ATOM 172 O MET A 20 -12.189 49.861 -8.756 1.00 23.45 O +ATOM 173 CB MET A 20 -14.110 47.220 -8.445 1.00 22.25 C +ATOM 174 CG MET A 20 -14.595 45.895 -9.017 1.00 22.73 C +ATOM 175 SD MET A 20 -15.015 44.741 -7.688 1.00 23.84 S +ATOM 176 CE MET A 20 -16.738 45.138 -7.400 1.00 24.18 C +ATOM 177 N ILE A 21 -14.340 50.356 -8.254 1.00 23.05 N +ATOM 178 CA ILE A 21 -14.025 51.591 -7.530 1.00 23.06 C +ATOM 179 C ILE A 21 -14.731 51.597 -6.165 1.00 23.48 C +ATOM 180 O ILE A 21 -15.867 51.130 -6.047 1.00 23.40 O +ATOM 181 CB ILE A 21 -14.372 52.844 -8.402 1.00 23.12 C +ATOM 182 CG1 ILE A 21 -13.938 54.153 -7.719 1.00 23.46 C +ATOM 183 CG2 ILE A 21 -15.862 52.839 -8.811 1.00 23.41 C +ATOM 184 CD1 ILE A 21 -13.940 55.367 -8.689 1.00 23.27 C +ATOM 185 N GLU A 22 -14.044 52.082 -5.131 1.00 23.39 N +ATOM 186 CA GLU A 22 -14.589 52.076 -3.786 1.00 24.20 C +ATOM 187 C GLU A 22 -15.380 53.351 -3.540 1.00 24.20 C +ATOM 188 O GLU A 22 -14.906 54.451 -3.850 1.00 23.92 O +ATOM 189 CB GLU A 22 -13.451 51.985 -2.758 1.00 24.17 C +ATOM 190 CG GLU A 22 -13.927 51.826 -1.322 1.00 26.57 C +ATOM 191 CD GLU A 22 -12.833 52.160 -0.315 1.00 29.50 C +ATOM 192 OE1 GLU A 22 -12.132 53.174 -0.510 1.00 31.92 O +ATOM 193 OE2 GLU A 22 -12.697 51.425 0.678 1.00 31.92 O +ATOM 194 N CYS A 23 -16.583 53.205 -2.994 1.00 23.42 N +ATOM 195 CA CYS A 23 -17.316 54.361 -2.503 1.00 23.34 C +ATOM 196 C CYS A 23 -16.719 54.804 -1.164 1.00 23.66 C +ATOM 197 O CYS A 23 -16.656 54.026 -0.213 1.00 22.31 O +ATOM 198 CB CYS A 23 -18.806 54.037 -2.337 1.00 24.04 C +ATOM 199 SG CYS A 23 -19.725 55.399 -1.600 1.00 22.38 S +ATOM 200 N ASP A 24 -16.304 56.063 -1.089 1.00 23.54 N +ATOM 201 CA ASP A 24 -15.660 56.574 0.124 1.00 24.13 C +ATOM 202 C ASP A 24 -16.608 56.617 1.323 1.00 24.26 C +ATOM 203 O ASP A 24 -16.161 56.637 2.476 1.00 24.97 O +ATOM 204 CB ASP A 24 -15.060 57.960 -0.120 1.00 23.85 C +ATOM 205 CG ASP A 24 -14.152 58.410 1.023 1.00 26.41 C +ATOM 206 OD1 ASP A 24 -13.229 57.646 1.412 1.00 25.81 O +ATOM 207 OD2 ASP A 24 -14.378 59.521 1.546 1.00 29.86 O +ATOM 208 N ALA A 25 -17.911 56.626 1.050 1.00 24.37 N +ATOM 209 CA ALA A 25 -18.912 56.721 2.118 1.00 24.80 C +ATOM 210 C ALA A 25 -19.260 55.361 2.714 1.00 25.03 C +ATOM 211 O ALA A 25 -19.003 55.118 3.906 1.00 25.62 O +ATOM 212 CB ALA A 25 -20.180 57.466 1.631 1.00 24.95 C +ATOM 213 N CYS A 26 -19.841 54.470 1.906 1.00 24.62 N +ATOM 214 CA CYS A 26 -20.301 53.173 2.416 1.00 24.39 C +ATOM 215 C CYS A 26 -19.196 52.108 2.438 1.00 24.25 C +ATOM 216 O CYS A 26 -19.372 51.029 3.030 1.00 24.12 O +ATOM 217 CB CYS A 26 -21.515 52.675 1.619 1.00 24.31 C +ATOM 218 SG CYS A 26 -21.182 52.272 -0.108 1.00 25.68 S +ATOM 219 N LYS A 27 -18.078 52.405 1.765 1.00 23.58 N +ATOM 220 CA LYS A 27 -16.901 51.513 1.697 1.00 23.80 C +ATOM 221 C LYS A 27 -17.137 50.209 0.913 1.00 24.21 C +ATOM 222 O LYS A 27 -16.303 49.291 0.945 1.00 25.25 O +ATOM 223 CB LYS A 27 -16.323 51.208 3.102 1.00 23.70 C +ATOM 224 CG LYS A 27 -16.017 52.429 3.971 1.00 23.00 C +ATOM 225 CD LYS A 27 -15.041 53.393 3.275 1.00 22.45 C +ATOM 226 CE LYS A 27 -14.558 54.455 4.237 1.00 24.08 C +ATOM 227 NZ LYS A 27 -13.734 55.484 3.547 1.00 23.15 N +ATOM 228 N ASP A 28 -18.259 50.126 0.204 1.00 23.88 N +ATOM 229 CA ASP A 28 -18.483 48.988 -0.686 1.00 23.53 C +ATOM 230 C ASP A 28 -17.720 49.284 -1.973 1.00 23.56 C +ATOM 231 O ASP A 28 -17.255 50.419 -2.188 1.00 23.78 O +ATOM 232 CB ASP A 28 -19.981 48.779 -0.948 1.00 23.77 C +ATOM 233 CG ASP A 28 -20.333 47.322 -1.284 1.00 24.08 C +ATOM 234 OD1 ASP A 28 -19.467 46.569 -1.779 1.00 23.35 O +ATOM 235 OD2 ASP A 28 -21.500 46.934 -1.070 1.00 27.08 O +ATOM 236 N TRP A 29 -17.577 48.260 -2.810 1.00 23.30 N +ATOM 237 CA TRP A 29 -16.871 48.370 -4.079 1.00 23.05 C +ATOM 238 C TRP A 29 -17.822 48.138 -5.226 1.00 22.93 C +ATOM 239 O TRP A 29 -18.753 47.342 -5.102 1.00 21.98 O +ATOM 240 CB TRP A 29 -15.747 47.344 -4.138 1.00 23.42 C +ATOM 241 CG TRP A 29 -14.646 47.641 -3.169 1.00 23.33 C +ATOM 242 CD1 TRP A 29 -14.624 47.378 -1.816 1.00 24.04 C +ATOM 243 CD2 TRP A 29 -13.406 48.275 -3.478 1.00 23.24 C +ATOM 244 NE1 TRP A 29 -13.434 47.816 -1.277 1.00 24.31 N +ATOM 245 CE2 TRP A 29 -12.671 48.371 -2.274 1.00 23.75 C +ATOM 246 CE3 TRP A 29 -12.846 48.787 -4.662 1.00 24.31 C +ATOM 247 CZ2 TRP A 29 -11.393 48.940 -2.222 1.00 24.49 C +ATOM 248 CZ3 TRP A 29 -11.571 49.351 -4.606 1.00 24.26 C +ATOM 249 CH2 TRP A 29 -10.864 49.419 -3.392 1.00 24.51 C +ATOM 250 N PHE A 30 -17.572 48.822 -6.345 1.00 21.88 N +ATOM 251 CA PHE A 30 -18.531 48.874 -7.454 1.00 22.86 C +ATOM 252 C PHE A 30 -17.862 48.626 -8.795 1.00 22.75 C +ATOM 253 O PHE A 30 -16.822 49.221 -9.089 1.00 22.54 O +ATOM 254 CB PHE A 30 -19.243 50.237 -7.456 1.00 22.88 C +ATOM 255 CG PHE A 30 -20.072 50.459 -6.227 1.00 22.78 C +ATOM 256 CD1 PHE A 30 -21.405 50.061 -6.199 1.00 23.41 C +ATOM 257 CD2 PHE A 30 -19.498 50.995 -5.064 1.00 23.06 C +ATOM 258 CE1 PHE A 30 -22.167 50.210 -5.048 1.00 23.96 C +ATOM 259 CE2 PHE A 30 -20.260 51.143 -3.897 1.00 22.72 C +ATOM 260 CZ PHE A 30 -21.594 50.753 -3.896 1.00 23.97 C +ATOM 261 N HIS A 31 -18.439 47.732 -9.604 1.00 23.01 N +ATOM 262 CA HIS A 31 -17.960 47.534 -10.961 1.00 23.24 C +ATOM 263 C HIS A 31 -18.203 48.820 -11.721 1.00 23.69 C +ATOM 264 O HIS A 31 -19.305 49.371 -11.670 1.00 23.37 O +ATOM 265 CB HIS A 31 -18.730 46.416 -11.678 1.00 23.07 C +ATOM 266 CG HIS A 31 -18.531 45.056 -11.084 1.00 23.42 C +ATOM 267 ND1 HIS A 31 -19.544 44.374 -10.441 1.00 23.64 N +ATOM 268 CD2 HIS A 31 -17.447 44.243 -11.050 1.00 23.42 C +ATOM 269 CE1 HIS A 31 -19.091 43.200 -10.034 1.00 24.63 C +ATOM 270 NE2 HIS A 31 -17.820 43.098 -10.384 1.00 22.95 N +ATOM 271 N GLY A 32 -17.180 49.305 -12.418 1.00 23.96 N +ATOM 272 CA GLY A 32 -17.346 50.491 -13.255 1.00 25.15 C +ATOM 273 C GLY A 32 -18.528 50.332 -14.196 1.00 25.81 C +ATOM 274 O GLY A 32 -19.301 51.274 -14.403 1.00 26.24 O +ATOM 275 N SER A 33 -18.693 49.129 -14.746 1.00 25.97 N +ATOM 276 CA SER A 33 -19.794 48.867 -15.685 1.00 26.27 C +ATOM 277 C SER A 33 -21.178 48.912 -15.026 1.00 26.16 C +ATOM 278 O SER A 33 -22.174 49.173 -15.701 1.00 25.83 O +ATOM 279 CB SER A 33 -19.588 47.546 -16.440 1.00 26.62 C +ATOM 280 OG SER A 33 -19.358 46.481 -15.548 1.00 27.80 O +ATOM 281 N CYS A 34 -21.234 48.668 -13.715 1.00 25.79 N +ATOM 282 CA CYS A 34 -22.500 48.702 -12.964 1.00 25.70 C +ATOM 283 C CYS A 34 -22.914 50.117 -12.556 1.00 26.18 C +ATOM 284 O CYS A 34 -24.103 50.382 -12.336 1.00 26.83 O +ATOM 285 CB CYS A 34 -22.418 47.808 -11.716 1.00 25.55 C +ATOM 286 SG CYS A 34 -22.431 46.042 -12.076 1.00 23.99 S +ATOM 287 N VAL A 35 -21.943 51.015 -12.437 1.00 25.84 N +ATOM 288 CA VAL A 35 -22.217 52.370 -11.948 1.00 26.21 C +ATOM 289 C VAL A 35 -21.849 53.487 -12.935 1.00 26.49 C +ATOM 290 O VAL A 35 -21.910 54.671 -12.585 1.00 26.73 O +ATOM 291 CB VAL A 35 -21.526 52.648 -10.588 1.00 25.90 C +ATOM 292 CG1 VAL A 35 -22.104 51.757 -9.477 1.00 25.45 C +ATOM 293 CG2 VAL A 35 -20.004 52.503 -10.710 1.00 25.30 C +ATOM 294 N GLY A 36 -21.468 53.115 -14.156 1.00 26.79 N +ATOM 295 CA GLY A 36 -21.150 54.102 -15.195 1.00 27.42 C +ATOM 296 C GLY A 36 -19.834 54.840 -15.014 1.00 27.77 C +ATOM 297 O GLY A 36 -19.738 56.033 -15.304 1.00 27.68 O +ATOM 298 N VAL A 37 -18.812 54.130 -14.545 1.00 27.68 N +ATOM 299 CA VAL A 37 -17.477 54.700 -14.398 1.00 27.94 C +ATOM 300 C VAL A 37 -16.503 53.888 -15.250 1.00 28.56 C +ATOM 301 O VAL A 37 -16.392 52.678 -15.084 1.00 28.51 O +ATOM 302 CB VAL A 37 -17.003 54.696 -12.909 1.00 27.94 C +ATOM 303 CG1 VAL A 37 -15.556 55.191 -12.797 1.00 27.48 C +ATOM 304 CG2 VAL A 37 -17.930 55.549 -12.024 1.00 27.03 C +ATOM 305 N GLU A 38 -15.798 54.553 -16.161 1.00 29.19 N +ATOM 306 CA GLU A 38 -14.808 53.886 -17.008 1.00 29.93 C +ATOM 307 C GLU A 38 -13.483 53.790 -16.272 1.00 29.69 C +ATOM 308 O GLU A 38 -13.116 54.716 -15.549 1.00 30.01 O +ATOM 309 CB GLU A 38 -14.626 54.650 -18.325 1.00 30.48 C +ATOM 310 CG GLU A 38 -15.913 54.789 -19.111 1.00 33.28 C +ATOM 311 CD GLU A 38 -15.700 55.317 -20.512 1.00 37.85 C +ATOM 312 OE1 GLU A 38 -14.731 56.081 -20.735 1.00 39.76 O +ATOM 313 OE2 GLU A 38 -16.519 54.972 -21.394 1.00 40.00 O +ATOM 314 N GLU A 39 -12.773 52.674 -16.444 1.00 29.44 N +ATOM 315 CA GLU A 39 -11.490 52.469 -15.764 1.00 29.96 C +ATOM 316 C GLU A 39 -10.537 53.635 -16.029 1.00 30.11 C +ATOM 317 O GLU A 39 -9.869 54.115 -15.118 1.00 29.61 O +ATOM 318 CB GLU A 39 -10.851 51.120 -16.148 1.00 29.66 C +ATOM 319 CG GLU A 39 -9.488 50.862 -15.485 1.00 30.16 C +ATOM 320 CD GLU A 39 -9.045 49.403 -15.513 1.00 30.74 C +ATOM 321 OE1 GLU A 39 -9.680 48.585 -16.217 1.00 32.39 O +ATOM 322 OE2 GLU A 39 -8.052 49.071 -14.822 1.00 31.68 O +ATOM 323 N GLU A 40 -10.521 54.105 -17.274 1.00 30.35 N +ATOM 324 CA GLU A 40 -9.632 55.193 -17.684 1.00 31.15 C +ATOM 325 C GLU A 40 -10.021 56.579 -17.147 1.00 30.88 C +ATOM 326 O GLU A 40 -9.200 57.505 -17.160 1.00 31.17 O +ATOM 327 CB GLU A 40 -9.462 55.205 -19.215 1.00 31.91 C +ATOM 328 CG GLU A 40 -8.891 53.896 -19.815 1.00 35.51 C +ATOM 329 CD GLU A 40 -7.698 53.304 -19.041 1.00 41.28 C +ATOM 330 OE1 GLU A 40 -6.886 54.073 -18.474 1.00 43.82 O +ATOM 331 OE2 GLU A 40 -7.563 52.056 -19.008 1.00 43.09 O +ATOM 332 N GLU A 41 -11.257 56.725 -16.667 1.00 30.55 N +ATOM 333 CA GLU A 41 -11.711 57.995 -16.092 1.00 30.35 C +ATOM 334 C GLU A 41 -11.468 58.049 -14.588 1.00 28.71 C +ATOM 335 O GLU A 41 -11.400 59.130 -13.999 1.00 27.51 O +ATOM 336 CB GLU A 41 -13.194 58.252 -16.410 1.00 30.88 C +ATOM 337 CG GLU A 41 -14.185 57.797 -15.336 1.00 33.54 C +ATOM 338 CD GLU A 41 -15.639 57.938 -15.758 1.00 33.76 C +ATOM 339 OE1 GLU A 41 -16.060 57.251 -16.716 1.00 35.65 O +ATOM 340 OE2 GLU A 41 -16.362 58.734 -15.110 1.00 40.12 O +ATOM 341 N ALA A 42 -11.334 56.875 -13.966 1.00 27.35 N +ATOM 342 CA ALA A 42 -11.242 56.805 -12.511 1.00 26.78 C +ATOM 343 C ALA A 42 -10.056 57.547 -11.871 1.00 26.14 C +ATOM 344 O ALA A 42 -10.219 58.109 -10.781 1.00 26.32 O +ATOM 345 CB ALA A 42 -11.301 55.348 -12.033 1.00 26.61 C +ATOM 346 N PRO A 43 -8.873 57.559 -12.524 1.00 26.27 N +ATOM 347 CA PRO A 43 -7.754 58.316 -11.953 1.00 25.65 C +ATOM 348 C PRO A 43 -8.056 59.789 -11.710 1.00 25.98 C +ATOM 349 O PRO A 43 -7.387 60.408 -10.878 1.00 26.03 O +ATOM 350 CB PRO A 43 -6.663 58.165 -13.014 1.00 26.57 C +ATOM 351 CG PRO A 43 -6.956 56.849 -13.626 1.00 26.49 C +ATOM 352 CD PRO A 43 -8.455 56.880 -13.765 1.00 25.58 C +ATOM 353 N ASP A 44 -9.033 60.348 -12.425 1.00 25.50 N +ATOM 354 CA ASP A 44 -9.448 61.729 -12.174 1.00 25.44 C +ATOM 355 C ASP A 44 -10.455 61.916 -11.031 1.00 25.66 C +ATOM 356 O ASP A 44 -10.689 63.046 -10.590 1.00 25.75 O +ATOM 357 CB ASP A 44 -9.961 62.380 -13.459 1.00 25.38 C +ATOM 358 CG ASP A 44 -8.839 62.758 -14.385 1.00 25.48 C +ATOM 359 OD1 ASP A 44 -7.909 63.470 -13.933 1.00 23.76 O +ATOM 360 OD2 ASP A 44 -8.889 62.345 -15.556 1.00 25.78 O +ATOM 361 N ILE A 45 -11.043 60.824 -10.544 1.00 25.31 N +ATOM 362 CA ILE A 45 -11.979 60.923 -9.432 1.00 24.90 C +ATOM 363 C ILE A 45 -11.232 61.018 -8.094 1.00 25.19 C +ATOM 364 O ILE A 45 -10.371 60.196 -7.779 1.00 25.22 O +ATOM 365 CB ILE A 45 -13.039 59.763 -9.439 1.00 25.09 C +ATOM 366 CG1 ILE A 45 -13.778 59.737 -10.795 1.00 24.53 C +ATOM 367 CG2 ILE A 45 -14.018 59.921 -8.253 1.00 25.34 C +ATOM 368 CD1 ILE A 45 -14.574 58.451 -11.074 1.00 25.18 C +ATOM 369 N ASP A 46 -11.555 62.051 -7.325 1.00 25.22 N +ATOM 370 CA ASP A 46 -10.993 62.224 -5.998 1.00 25.78 C +ATOM 371 C ASP A 46 -11.842 61.420 -5.019 1.00 26.12 C +ATOM 372 O ASP A 46 -11.463 60.311 -4.650 1.00 26.03 O +ATOM 373 CB ASP A 46 -10.955 63.719 -5.623 1.00 25.73 C +ATOM 374 CG ASP A 46 -10.306 63.977 -4.264 1.00 27.49 C +ATOM 375 OD1 ASP A 46 -10.428 65.119 -3.767 1.00 27.86 O +ATOM 376 OD2 ASP A 46 -9.673 63.056 -3.696 1.00 29.90 O +ATOM 377 N ILE A 47 -12.988 61.975 -4.610 1.00 26.38 N +ATOM 378 CA ILE A 47 -13.910 61.254 -3.726 1.00 26.80 C +ATOM 379 C ILE A 47 -15.022 60.623 -4.555 1.00 25.95 C +ATOM 380 O ILE A 47 -15.835 61.335 -5.150 1.00 25.95 O +ATOM 381 CB ILE A 47 -14.522 62.160 -2.622 1.00 26.74 C +ATOM 382 CG1 ILE A 47 -13.412 62.829 -1.795 1.00 27.82 C +ATOM 383 CG2 ILE A 47 -15.466 61.320 -1.717 1.00 26.89 C +ATOM 384 CD1 ILE A 47 -13.888 63.897 -0.790 1.00 28.74 C +ATOM 385 N TYR A 48 -15.056 59.291 -4.589 1.00 25.25 N +ATOM 386 CA TYR A 48 -16.126 58.572 -5.268 1.00 24.39 C +ATOM 387 C TYR A 48 -17.281 58.267 -4.323 1.00 23.97 C +ATOM 388 O TYR A 48 -17.077 57.723 -3.235 1.00 23.75 O +ATOM 389 CB TYR A 48 -15.644 57.272 -5.935 1.00 24.66 C +ATOM 390 CG TYR A 48 -16.802 56.571 -6.604 1.00 24.78 C +ATOM 391 CD1 TYR A 48 -17.382 57.112 -7.764 1.00 24.14 C +ATOM 392 CD2 TYR A 48 -17.364 55.412 -6.057 1.00 23.57 C +ATOM 393 CE1 TYR A 48 -18.476 56.516 -8.368 1.00 25.52 C +ATOM 394 CE2 TYR A 48 -18.483 54.799 -6.664 1.00 23.76 C +ATOM 395 CZ TYR A 48 -19.022 55.361 -7.819 1.00 24.82 C +ATOM 396 OH TYR A 48 -20.116 54.789 -8.436 1.00 25.44 O +ATOM 397 N HIS A 49 -18.487 58.647 -4.743 1.00 23.57 N +ATOM 398 CA HIS A 49 -19.712 58.235 -4.066 1.00 24.13 C +ATOM 399 C HIS A 49 -20.579 57.435 -5.031 1.00 24.56 C +ATOM 400 O HIS A 49 -20.842 57.877 -6.155 1.00 24.31 O +ATOM 401 CB HIS A 49 -20.486 59.444 -3.524 1.00 24.41 C +ATOM 402 CG HIS A 49 -19.840 60.092 -2.337 1.00 24.45 C +ATOM 403 ND1 HIS A 49 -20.134 61.379 -1.941 1.00 25.79 N +ATOM 404 CD2 HIS A 49 -18.928 59.624 -1.449 1.00 25.43 C +ATOM 405 CE1 HIS A 49 -19.431 61.678 -0.862 1.00 26.09 C +ATOM 406 NE2 HIS A 49 -18.688 60.632 -0.545 1.00 26.15 N +ATOM 407 N CYS A 50 -21.010 56.258 -4.586 1.00 24.77 N +ATOM 408 CA CYS A 50 -21.888 55.412 -5.387 1.00 25.85 C +ATOM 409 C CYS A 50 -23.262 56.086 -5.570 1.00 26.75 C +ATOM 410 O CYS A 50 -23.603 57.013 -4.829 1.00 26.25 O +ATOM 411 CB CYS A 50 -22.030 54.046 -4.718 1.00 25.53 C +ATOM 412 SG CYS A 50 -22.995 54.035 -3.186 1.00 25.45 S +ATOM 413 N PRO A 51 -24.050 55.631 -6.567 1.00 27.89 N +ATOM 414 CA PRO A 51 -25.373 56.206 -6.824 1.00 28.74 C +ATOM 415 C PRO A 51 -26.276 56.281 -5.588 1.00 29.33 C +ATOM 416 O PRO A 51 -26.998 57.263 -5.427 1.00 30.25 O +ATOM 417 CB PRO A 51 -25.954 55.266 -7.889 1.00 29.01 C +ATOM 418 CG PRO A 51 -24.735 54.823 -8.655 1.00 28.57 C +ATOM 419 CD PRO A 51 -23.722 54.574 -7.545 1.00 27.93 C +ATOM 420 N ASN A 52 -26.220 55.285 -4.712 1.00 30.00 N +ATOM 421 CA ASN A 52 -27.008 55.337 -3.469 1.00 30.88 C +ATOM 422 C ASN A 52 -26.500 56.400 -2.493 1.00 30.36 C +ATOM 423 O ASN A 52 -27.285 57.204 -1.977 1.00 30.82 O +ATOM 424 CB ASN A 52 -27.087 53.961 -2.807 1.00 31.20 C +ATOM 425 CG ASN A 52 -27.985 52.995 -3.574 1.00 34.07 C +ATOM 426 OD1 ASN A 52 -29.060 53.371 -4.060 1.00 37.52 O +ATOM 427 ND2 ASN A 52 -27.551 51.744 -3.683 1.00 36.34 N +ATOM 428 N CYS A 53 -25.186 56.435 -2.271 1.00 29.58 N +ATOM 429 CA CYS A 53 -24.591 57.411 -1.343 1.00 29.19 C +ATOM 430 C CYS A 53 -24.618 58.862 -1.823 1.00 29.84 C +ATOM 431 O CYS A 53 -24.605 59.781 -1.001 1.00 29.16 O +ATOM 432 CB CYS A 53 -23.164 57.012 -0.973 1.00 28.27 C +ATOM 433 SG CYS A 53 -23.105 55.581 0.117 1.00 26.19 S +ATOM 434 N GLU A 54 -24.653 59.061 -3.142 1.00 30.80 N +ATOM 435 CA GLU A 54 -24.775 60.395 -3.736 1.00 32.48 C +ATOM 436 C GLU A 54 -25.906 61.184 -3.091 1.00 32.62 C +ATOM 437 O GLU A 54 -25.769 62.373 -2.788 1.00 32.96 O +ATOM 438 CB GLU A 54 -25.122 60.289 -5.218 1.00 32.84 C +ATOM 439 CG GLU A 54 -24.004 59.967 -6.147 1.00 36.89 C +ATOM 440 CD GLU A 54 -24.470 59.978 -7.594 1.00 40.39 C +ATOM 441 OE1 GLU A 54 -25.600 59.511 -7.873 1.00 43.32 O +ATOM 442 OE2 GLU A 54 -23.713 60.459 -8.453 1.00 41.80 O +ATOM 443 N LYS A 55 -27.024 60.496 -2.896 1.00 33.03 N +ATOM 444 CA LYS A 55 -28.270 61.117 -2.468 1.00 33.73 C +ATOM 445 C LYS A 55 -28.139 61.868 -1.148 1.00 33.46 C +ATOM 446 O LYS A 55 -28.800 62.884 -0.951 1.00 34.10 O +ATOM 447 CB LYS A 55 -29.381 60.066 -2.398 1.00 33.92 C +ATOM 448 CG LYS A 55 -29.654 59.383 -3.734 1.00 35.43 C +ATOM 449 CD LYS A 55 -30.568 58.178 -3.586 1.00 38.05 C +ATOM 450 CE LYS A 55 -30.489 57.289 -4.823 1.00 39.27 C +ATOM 451 NZ LYS A 55 -31.559 56.254 -4.833 1.00 41.42 N +ATOM 452 N THR A 56 -27.279 61.386 -0.251 1.00 32.94 N +ATOM 453 CA THR A 56 -27.119 62.040 1.052 1.00 32.71 C +ATOM 454 C THR A 56 -25.727 62.619 1.307 1.00 31.84 C +ATOM 455 O THR A 56 -25.579 63.535 2.115 1.00 31.40 O +ATOM 456 CB THR A 56 -27.521 61.111 2.214 1.00 32.81 C +ATOM 457 OG1 THR A 56 -26.795 59.885 2.118 1.00 34.40 O +ATOM 458 CG2 THR A 56 -29.014 60.810 2.163 1.00 33.72 C +ATOM 459 N HIS A 57 -24.723 62.097 0.603 1.00 30.78 N +ATOM 460 CA HIS A 57 -23.332 62.479 0.821 1.00 30.34 C +ATOM 461 C HIS A 57 -22.762 63.344 -0.301 1.00 29.88 C +ATOM 462 O HIS A 57 -21.601 63.769 -0.236 1.00 29.55 O +ATOM 463 CB HIS A 57 -22.461 61.231 0.982 1.00 30.50 C +ATOM 464 CG HIS A 57 -22.816 60.398 2.170 1.00 32.07 C +ATOM 465 ND1 HIS A 57 -22.469 60.753 3.455 1.00 33.50 N +ATOM 466 CD2 HIS A 57 -23.478 59.222 2.270 1.00 34.27 C +ATOM 467 CE1 HIS A 57 -22.907 59.834 4.297 1.00 34.96 C +ATOM 468 NE2 HIS A 57 -23.523 58.894 3.603 1.00 34.83 N +ATOM 469 N GLY A 58 -23.571 63.591 -1.328 1.00 29.39 N +ATOM 470 CA GLY A 58 -23.186 64.477 -2.418 1.00 29.32 C +ATOM 471 C GLY A 58 -22.508 63.760 -3.567 1.00 29.21 C +ATOM 472 O GLY A 58 -22.060 62.619 -3.433 1.00 29.17 O +ATOM 473 N LYS A 59 -22.424 64.440 -4.706 1.00 28.97 N +ATOM 474 CA LYS A 59 -21.831 63.842 -5.899 1.00 29.00 C +ATOM 475 C LYS A 59 -20.326 63.624 -5.747 1.00 27.97 C +ATOM 476 O LYS A 59 -19.668 64.272 -4.926 1.00 27.85 O +ATOM 477 CB LYS A 59 -22.154 64.686 -7.139 1.00 29.74 C +ATOM 478 CG LYS A 59 -23.595 64.494 -7.607 1.00 31.85 C +ATOM 479 CD LYS A 59 -24.093 65.641 -8.463 1.00 35.45 C +ATOM 480 CE LYS A 59 -25.613 65.620 -8.517 1.00 36.63 C +ATOM 481 NZ LYS A 59 -26.161 66.686 -9.399 1.00 39.80 N +ATOM 482 N SER A 60 -19.795 62.689 -6.528 1.00 26.85 N +ATOM 483 CA SER A 60 -18.355 62.441 -6.571 1.00 26.01 C +ATOM 484 C SER A 60 -17.619 63.731 -6.935 1.00 25.96 C +ATOM 485 O SER A 60 -18.189 64.609 -7.582 1.00 25.81 O +ATOM 486 CB SER A 60 -18.029 61.364 -7.607 1.00 26.07 C +ATOM 487 OG SER A 60 -18.637 60.129 -7.275 1.00 25.34 O +ATOM 488 N THR A 61 -16.371 63.850 -6.494 1.00 25.67 N +ATOM 489 CA THR A 61 -15.550 65.019 -6.844 1.00 25.74 C +ATOM 490 C THR A 61 -14.392 64.619 -7.737 1.00 25.92 C +ATOM 491 O THR A 61 -13.998 63.444 -7.782 1.00 26.01 O +ATOM 492 CB THR A 61 -14.991 65.716 -5.600 1.00 25.50 C +ATOM 493 OG1 THR A 61 -14.234 64.776 -4.824 1.00 25.19 O +ATOM 494 CG2 THR A 61 -16.117 66.292 -4.757 1.00 26.41 C +ATOM 495 N LEU A 62 -13.835 65.605 -8.440 1.00 25.61 N +ATOM 496 CA LEU A 62 -12.671 65.368 -9.282 1.00 25.79 C +ATOM 497 C LEU A 62 -11.407 65.943 -8.645 1.00 25.32 C +ATOM 498 O LEU A 62 -11.467 66.940 -7.921 1.00 25.11 O +ATOM 499 CB LEU A 62 -12.883 65.966 -10.677 1.00 25.99 C +ATOM 500 CG LEU A 62 -14.072 65.436 -11.495 1.00 27.57 C +ATOM 501 CD1 LEU A 62 -14.089 66.061 -12.873 1.00 30.24 C +ATOM 502 CD2 LEU A 62 -14.041 63.916 -11.596 1.00 29.49 C +ATOM 503 N LYS A 63 -10.277 65.295 -8.922 1.00 24.58 N +ATOM 504 CA LYS A 63 -8.958 65.792 -8.513 1.00 24.36 C +ATOM 505 C LYS A 63 -8.629 67.096 -9.238 1.00 23.98 C +ATOM 506 O LYS A 63 -8.795 67.186 -10.455 1.00 24.29 O +ATOM 507 CB LYS A 63 -7.876 64.753 -8.833 1.00 24.26 C +ATOM 508 CG LYS A 63 -8.020 63.454 -8.041 1.00 24.26 C +ATOM 509 CD LYS A 63 -6.899 62.471 -8.380 1.00 24.18 C +ATOM 510 CE LYS A 63 -7.069 61.143 -7.619 1.00 23.95 C +ATOM 511 NZ LYS A 63 -6.260 60.088 -8.318 1.00 24.79 N +ATOM 512 N LYS A 64 -8.141 68.084 -8.489 1.00 23.55 N +ATOM 513 CA LYS A 64 -7.758 69.381 -9.056 1.00 23.78 C +ATOM 514 C LYS A 64 -6.316 69.384 -9.558 1.00 23.48 C +ATOM 515 O LYS A 64 -5.886 70.313 -10.254 1.00 22.54 O +ATOM 516 CB LYS A 64 -7.949 70.495 -8.021 1.00 24.10 C +ATOM 517 CG LYS A 64 -9.334 70.530 -7.397 1.00 26.91 C +ATOM 518 CD LYS A 64 -9.455 71.702 -6.438 1.00 30.45 C +ATOM 519 CE LYS A 64 -10.899 71.934 -6.025 1.00 32.50 C +ATOM 520 NZ LYS A 64 -11.015 73.195 -5.221 1.00 34.92 N +ATOM 521 N LYS A 65 -5.571 68.339 -9.204 1.00 23.71 N +ATOM 522 CA LYS A 65 -4.185 68.191 -9.646 1.00 24.38 C +ATOM 523 C LYS A 65 -3.894 66.712 -9.867 1.00 23.95 C +ATOM 524 O LYS A 65 -4.545 65.856 -9.265 1.00 24.21 O +ATOM 525 CB LYS A 65 -3.217 68.766 -8.602 1.00 25.01 C +ATOM 526 CG LYS A 65 -3.306 68.056 -7.239 1.00 27.68 C +ATOM 527 CD LYS A 65 -2.628 68.861 -6.148 1.00 32.46 C +ATOM 528 CE LYS A 65 -2.891 68.262 -4.775 1.00 34.49 C +ATOM 529 NZ LYS A 65 -2.140 66.998 -4.600 1.00 37.68 N +ATOM 530 N ARG A 66 -2.907 66.424 -10.709 1.00 23.85 N +ATOM 531 CA ARG A 66 -2.560 65.045 -11.070 1.00 24.33 C +ATOM 532 C ARG A 66 -1.050 64.856 -11.121 1.00 24.62 C +ATOM 533 O ARG A 66 -0.313 65.785 -11.462 1.00 23.38 O +ATOM 534 CB ARG A 66 -3.160 64.674 -12.440 1.00 24.22 C +ATOM 535 CG ARG A 66 -4.697 64.595 -12.487 1.00 24.13 C +ATOM 536 CD ARG A 66 -5.261 63.461 -11.606 1.00 24.13 C +ATOM 537 NE ARG A 66 -4.539 62.213 -11.853 1.00 25.27 N +ATOM 538 CZ ARG A 66 -4.733 61.420 -12.904 1.00 25.17 C +ATOM 539 NH1 ARG A 66 -5.651 61.711 -13.814 1.00 25.93 N +ATOM 540 NH2 ARG A 66 -3.993 60.330 -13.051 1.00 28.17 N +ATOM 541 N THR A 67 -0.598 63.647 -10.789 1.00 25.94 N +ATOM 542 CA THR A 67 0.803 63.284 -10.951 1.00 28.26 C +ATOM 543 C THR A 67 1.038 62.815 -12.385 1.00 29.71 C +ATOM 544 O THR A 67 0.460 61.828 -12.826 1.00 30.62 O +ATOM 545 CB THR A 67 1.217 62.177 -9.943 1.00 28.11 C +ATOM 546 OG1 THR A 67 0.859 62.590 -8.619 1.00 27.95 O +ATOM 547 CG2 THR A 67 2.715 61.915 -10.007 1.00 29.10 C +ATOM 548 N TRP A 68 1.858 63.555 -13.116 1.00 31.95 N +ATOM 549 CA TRP A 68 2.296 63.148 -14.445 1.00 33.83 C +ATOM 550 C TRP A 68 3.590 62.356 -14.256 1.00 34.26 C +ATOM 551 O TRP A 68 4.408 62.715 -13.410 1.00 35.50 O +ATOM 552 CB TRP A 68 2.515 64.410 -15.283 1.00 34.89 C +ATOM 553 CG TRP A 68 2.991 64.232 -16.706 1.00 36.13 C +ATOM 554 CD1 TRP A 68 3.914 64.997 -17.342 1.00 36.63 C +ATOM 555 CD2 TRP A 68 2.565 63.244 -17.662 1.00 37.16 C +ATOM 556 NE1 TRP A 68 4.093 64.566 -18.628 1.00 36.94 N +ATOM 557 CE2 TRP A 68 3.284 63.486 -18.853 1.00 37.88 C +ATOM 558 CE3 TRP A 68 1.655 62.181 -17.629 1.00 38.64 C +ATOM 559 CZ2 TRP A 68 3.120 62.706 -20.006 1.00 37.29 C +ATOM 560 CZ3 TRP A 68 1.497 61.399 -18.784 1.00 37.86 C +ATOM 561 CH2 TRP A 68 2.225 61.674 -19.952 1.00 36.62 C +ATOM 562 N HIS A 69 3.786 61.286 -15.018 1.00 34.02 N +ATOM 563 CA HIS A 69 4.972 60.417 -14.860 1.00 33.54 C +ATOM 564 C HIS A 69 4.703 59.348 -13.795 1.00 33.73 C +ATOM 565 O HIS A 69 3.966 59.591 -12.834 1.00 34.26 O +ATOM 566 CB HIS A 69 6.255 61.191 -14.478 1.00 33.00 C +ATOM 567 CG HIS A 69 6.769 62.126 -15.538 1.00 30.75 C +ATOM 568 ND1 HIS A 69 6.887 61.771 -16.865 1.00 28.83 N +ATOM 569 CD2 HIS A 69 7.247 63.390 -15.447 1.00 29.76 C +ATOM 570 CE1 HIS A 69 7.384 62.786 -17.550 1.00 29.45 C +ATOM 571 NE2 HIS A 69 7.613 63.781 -16.713 1.00 27.88 N +ATOM 573 N ALA B 1 -9.611 58.339 -5.677 1.00 22.93 N +ATOM 574 CA ALA B 1 -10.463 57.199 -5.228 1.00 23.00 C +ATOM 575 C ALA B 1 -9.643 55.918 -5.205 1.00 23.51 C +ATOM 576 O ALA B 1 -8.654 55.803 -5.929 1.00 24.37 O +ATOM 577 CB ALA B 1 -11.656 57.040 -6.156 1.00 23.38 C +ATOM 578 N ARG B 2 -10.049 54.956 -4.380 1.00 23.54 N +ATOM 579 CA ARG B 2 -9.393 53.651 -4.353 1.00 24.08 C +ATOM 580 C ARG B 2 -10.023 52.789 -5.432 1.00 23.93 C +ATOM 581 O ARG B 2 -11.245 52.797 -5.613 1.00 24.33 O +ATOM 582 CB ARG B 2 -9.553 52.969 -2.992 1.00 23.73 C +ATOM 583 CG ARG B 2 -8.908 53.734 -1.843 1.00 26.56 C +ATOM 584 CD ARG B 2 -9.213 53.045 -0.518 1.00 30.59 C +ATOM 585 NE ARG B 2 -8.387 51.872 -0.274 1.00 32.66 N +ATOM 586 CZ ARG B 2 -8.731 50.850 0.511 1.00 33.84 C +ATOM 587 NH1 ARG B 2 -9.917 50.813 1.110 1.00 32.94 N +ATOM 588 NH2 ARG B 2 -7.889 49.844 0.680 1.00 35.08 N +ATOM 589 N THR B 3 -9.188 52.047 -6.146 1.00 24.27 N +ATOM 590 CA THR B 3 -9.672 51.243 -7.259 1.00 24.53 C +ATOM 591 C THR B 3 -9.013 49.871 -7.280 1.00 25.11 C +ATOM 592 O THR B 3 -7.968 49.662 -6.654 1.00 25.35 O +ATOM 593 CB THR B 3 -9.354 51.917 -8.609 1.00 24.54 C +ATOM 594 OG1 THR B 3 -7.930 52.108 -8.722 1.00 23.51 O +ATOM 595 CG2 THR B 3 -10.091 53.260 -8.767 1.00 24.45 C +ATOM 608 N GLN B 5 -7.682 47.581 -10.271 1.00 27.82 N +ATOM 609 CA GLN B 5 -7.340 47.559 -11.696 1.00 30.08 C +ATOM 610 C GLN B 5 -7.550 46.210 -12.348 1.00 30.34 C +ATOM 611 O GLN B 5 -7.630 45.191 -11.664 1.00 31.05 O +ATOM 612 CB GLN B 5 -5.868 47.931 -11.878 1.00 30.55 C +ATOM 613 CG GLN B 5 -5.632 49.323 -12.382 1.00 34.22 C +ATOM 614 CD GLN B 5 -5.836 50.383 -11.324 1.00 36.28 C +ATOM 615 OE1 GLN B 5 -6.944 50.591 -10.846 1.00 38.25 O +ATOM 616 NE2 GLN B 5 -4.759 51.094 -10.985 1.00 37.72 N +ATOM 617 N THR B 6 -7.610 46.203 -13.678 1.00 31.05 N +ATOM 618 CA THR B 6 -7.629 44.955 -14.433 1.00 31.25 C +ATOM 619 C THR B 6 -6.261 44.678 -15.046 1.00 31.80 C +ATOM 620 O THR B 6 -5.544 45.607 -15.427 1.00 32.59 O +ATOM 621 CB THR B 6 -8.698 44.958 -15.543 1.00 31.31 C +ATOM 622 OG1 THR B 6 -8.503 46.083 -16.406 1.00 30.53 O +ATOM 623 CG2 THR B 6 -10.071 45.039 -14.947 1.00 31.75 C Added: SwiftApps/modFTdock/input/3ktr-1.pdb =================================================================== --- SwiftApps/modFTdock/input/3ktr-1.pdb (rev 0) +++ SwiftApps/modFTdock/input/3ktr-1.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,749 @@ +ATOM 1 N SER A 543 -16.228 -2.248 -19.887 1.00 45.12 N +ATOM 2 CA SER A 543 -14.873 -1.715 -20.216 1.00 45.10 C +ATOM 3 C SER A 543 -14.146 -1.250 -18.952 1.00 45.12 C +ATOM 4 O SER A 543 -14.268 -0.088 -18.550 1.00 45.29 O +ATOM 5 CB SER A 543 -14.975 -0.580 -21.240 1.00 45.02 C +ATOM 6 OG SER A 543 -13.694 -0.085 -21.592 1.00 45.48 O +ATOM 7 N PRO A 544 -13.390 -2.160 -18.311 1.00 45.05 N +ATOM 8 CA PRO A 544 -12.624 -1.793 -17.121 1.00 44.80 C +ATOM 9 C PRO A 544 -11.465 -0.835 -17.410 1.00 44.50 C +ATOM 10 O PRO A 544 -11.004 -0.720 -18.549 1.00 44.51 O +ATOM 11 CB PRO A 544 -12.088 -3.142 -16.613 1.00 45.08 C +ATOM 12 CG PRO A 544 -12.936 -4.192 -17.297 1.00 45.17 C +ATOM 13 CD PRO A 544 -13.234 -3.590 -18.635 1.00 45.17 C +ATOM 14 N LEU A 545 -11.024 -0.138 -16.370 1.00 43.82 N +ATOM 15 CA LEU A 545 -9.873 0.743 -16.460 1.00 43.18 C +ATOM 16 C LEU A 545 -8.614 -0.097 -16.362 1.00 42.82 C +ATOM 17 O LEU A 545 -8.476 -0.915 -15.452 1.00 42.66 O +ATOM 18 CB LEU A 545 -9.917 1.769 -15.326 1.00 43.08 C +ATOM 19 CG LEU A 545 -8.843 2.852 -15.268 1.00 43.89 C +ATOM 20 CD1 LEU A 545 -8.850 3.728 -16.519 1.00 41.38 C +ATOM 21 CD2 LEU A 545 -9.070 3.706 -14.041 1.00 43.92 C +ATOM 22 N THR A 546 -7.708 0.082 -17.317 1.00 42.25 N +ATOM 23 CA THR A 546 -6.456 -0.670 -17.316 1.00 42.38 C +ATOM 24 C THR A 546 -5.258 0.282 -17.225 1.00 42.38 C +ATOM 25 O THR A 546 -5.378 1.471 -17.543 1.00 41.75 O +ATOM 26 CB THR A 546 -6.357 -1.634 -18.534 1.00 42.49 C +ATOM 27 OG1 THR A 546 -5.322 -2.599 -18.300 1.00 43.79 O +ATOM 28 CG2 THR A 546 -6.075 -0.877 -19.828 1.00 41.60 C +ATOM 29 N ALA A 547 -4.123 -0.249 -16.768 1.00 42.52 N +ATOM 30 CA ALA A 547 -2.887 0.524 -16.602 1.00 42.92 C +ATOM 31 C ALA A 547 -2.402 1.142 -17.917 1.00 43.20 C +ATOM 32 O ALA A 547 -1.823 2.238 -17.917 1.00 43.21 O +ATOM 33 CB ALA A 547 -1.797 -0.355 -15.995 1.00 42.79 C +ATOM 34 N SER A 548 -2.635 0.430 -19.024 1.00 43.44 N +ATOM 35 CA SER A 548 -2.343 0.935 -20.369 1.00 43.75 C +ATOM 36 C SER A 548 -3.274 2.076 -20.802 1.00 44.03 C +ATOM 37 O SER A 548 -2.829 3.020 -21.467 1.00 44.42 O +ATOM 38 CB SER A 548 -2.373 -0.198 -21.397 1.00 43.85 C +ATOM 39 OG SER A 548 -1.224 -1.018 -21.275 1.00 43.28 O +ATOM 40 N MET A 549 -4.557 1.984 -20.439 1.00 44.11 N +ATOM 41 CA MET A 549 -5.507 3.087 -20.642 1.00 44.20 C +ATOM 42 C MET A 549 -4.989 4.360 -19.971 1.00 43.86 C +ATOM 43 O MET A 549 -4.950 5.434 -20.584 1.00 43.43 O +ATOM 44 CB MET A 549 -6.901 2.739 -20.085 1.00 44.19 C +ATOM 45 CG MET A 549 -7.959 2.383 -21.131 1.00 44.88 C +ATOM 46 SD MET A 549 -9.650 2.144 -20.488 1.00 45.40 S +ATOM 47 CE MET A 549 -9.970 3.745 -19.758 1.00 44.94 C +ATOM 48 N LEU A 550 -4.586 4.224 -18.710 1.00 43.62 N +ATOM 49 CA LEU A 550 -4.085 5.353 -17.922 1.00 43.48 C +ATOM 50 C LEU A 550 -2.807 5.946 -18.507 1.00 43.56 C +ATOM 51 O LEU A 550 -2.598 7.159 -18.443 1.00 43.33 O +ATOM 52 CB LEU A 550 -3.846 4.923 -16.475 1.00 43.67 C +ATOM 53 CG LEU A 550 -5.106 4.620 -15.668 1.00 43.53 C +ATOM 54 CD1 LEU A 550 -4.777 3.760 -14.486 1.00 45.84 C +ATOM 55 CD2 LEU A 550 -5.758 5.929 -15.223 1.00 43.05 C +ATOM 56 N ALA A 551 -1.957 5.088 -19.067 1.00 43.30 N +ATOM 57 CA ALA A 551 -0.708 5.527 -19.668 1.00 43.43 C +ATOM 58 C ALA A 551 -0.936 6.475 -20.850 1.00 43.48 C +ATOM 59 O ALA A 551 -0.069 7.292 -21.169 1.00 43.80 O +ATOM 60 CB ALA A 551 0.141 4.329 -20.093 1.00 43.32 C +ATOM 61 N SER A 552 -2.108 6.378 -21.480 1.00 43.00 N +ATOM 62 CA SER A 552 -2.442 7.244 -22.620 1.00 42.35 C +ATOM 63 C SER A 552 -2.769 8.686 -22.214 1.00 41.62 C +ATOM 64 O SER A 552 -2.982 9.543 -23.082 1.00 41.68 O +ATOM 65 CB SER A 552 -3.612 6.660 -23.422 1.00 42.39 C +ATOM 66 OG SER A 552 -3.298 5.376 -23.916 1.00 42.42 O +ATOM 67 N ALA A 553 -2.802 8.955 -20.908 1.00 40.62 N +ATOM 68 CA ALA A 553 -3.332 10.221 -20.427 1.00 39.25 C +ATOM 69 C ALA A 553 -2.359 11.054 -19.600 1.00 38.54 C +ATOM 70 O ALA A 553 -1.515 10.501 -18.883 1.00 39.51 O +ATOM 71 CB ALA A 553 -4.626 9.971 -19.647 1.00 39.21 C +ATOM 72 N PRO A 554 -2.470 12.398 -19.693 1.00 37.04 N +ATOM 73 CA PRO A 554 -1.809 13.304 -18.752 1.00 36.55 C +ATOM 74 C PRO A 554 -2.107 12.929 -17.286 1.00 35.69 C +ATOM 75 O PRO A 554 -3.219 12.490 -16.973 1.00 36.09 O +ATOM 76 CB PRO A 554 -2.458 14.651 -19.060 1.00 36.84 C +ATOM 77 CG PRO A 554 -2.811 14.571 -20.471 1.00 36.85 C +ATOM 78 CD PRO A 554 -3.211 13.146 -20.724 1.00 36.91 C +ATOM 79 N PRO A 555 -1.122 13.101 -16.396 1.00 34.68 N +ATOM 80 CA PRO A 555 -1.292 12.866 -14.955 1.00 32.64 C +ATOM 81 C PRO A 555 -2.601 13.397 -14.334 1.00 31.55 C +ATOM 82 O PRO A 555 -3.239 12.693 -13.538 1.00 32.21 O +ATOM 83 CB PRO A 555 -0.063 13.561 -14.328 1.00 33.01 C +ATOM 84 CG PRO A 555 0.773 14.043 -15.454 1.00 34.53 C +ATOM 85 CD PRO A 555 0.263 13.489 -16.734 1.00 34.00 C +ATOM 86 N GLN A 556 -3.007 14.622 -14.657 1.00 27.41 N +ATOM 87 CA GLN A 556 -4.219 15.138 -14.026 1.00 24.82 C +ATOM 88 C GLN A 556 -5.448 14.366 -14.524 1.00 21.44 C +ATOM 89 O GLN A 556 -6.390 14.100 -13.759 1.00 20.56 O +ATOM 90 CB GLN A 556 -4.384 16.637 -14.237 1.00 25.57 C +ATOM 91 CG GLN A 556 -5.085 17.326 -13.062 1.00 28.61 C +ATOM 92 CD GLN A 556 -4.145 17.667 -11.907 1.00 30.84 C +ATOM 93 OE1 GLN A 556 -3.687 18.807 -11.784 1.00 33.29 O +ATOM 94 NE2 GLN A 556 -3.867 16.687 -11.047 1.00 31.20 N +ATOM 95 N GLU A 557 -5.417 13.969 -15.791 1.00 18.33 N +ATOM 96 CA GLU A 557 -6.553 13.218 -16.362 1.00 15.91 C +ATOM 97 C GLU A 557 -6.576 11.816 -15.765 1.00 16.36 C +ATOM 98 O GLU A 557 -7.645 11.259 -15.507 1.00 15.34 O +ATOM 99 CB GLU A 557 -6.451 13.135 -17.881 1.00 16.69 C +ATOM 100 CG GLU A 557 -6.933 14.392 -18.592 1.00 17.28 C +ATOM 101 CD GLU A 557 -6.881 14.250 -20.097 1.00 21.15 C +ATOM 102 OE1 GLU A 557 -6.480 13.163 -20.563 1.00 25.03 O +ATOM 103 OE2 GLU A 557 -7.185 15.225 -20.826 1.00 20.68 O +ATOM 104 N GLN A 558 -5.391 11.245 -15.551 1.00 15.78 N +ATOM 105 CA GLN A 558 -5.328 9.931 -14.907 1.00 16.38 C +ATOM 106 C GLN A 558 -6.024 9.934 -13.538 1.00 16.75 C +ATOM 107 O GLN A 558 -6.753 8.969 -13.214 1.00 16.76 O +ATOM 108 CB GLN A 558 -3.889 9.448 -14.752 1.00 17.00 C +ATOM 109 CG GLN A 558 -3.144 9.259 -16.030 1.00 16.42 C +ATOM 110 CD GLN A 558 -1.802 8.588 -15.804 1.00 19.33 C +ATOM 111 OE1 GLN A 558 -1.568 7.970 -14.759 1.00 21.10 O +ATOM 112 NE2 GLN A 558 -0.907 8.724 -16.772 1.00 21.65 N +ATOM 113 N LYS A 559 -5.820 10.999 -12.742 1.00 16.78 N +ATOM 114 CA LYS A 559 -6.502 11.114 -11.427 1.00 17.56 C +ATOM 115 C LYS A 559 -8.017 11.108 -11.616 1.00 17.01 C +ATOM 116 O LYS A 559 -8.743 10.429 -10.883 1.00 17.71 O +ATOM 117 CB LYS A 559 -6.101 12.391 -10.681 1.00 16.61 C +ATOM 118 CG LYS A 559 -4.673 12.424 -10.246 1.00 19.01 C +ATOM 119 CD LYS A 559 -4.491 11.505 -9.076 1.00 16.03 C +ATOM 120 CE LYS A 559 -3.110 11.706 -8.513 1.00 14.25 C +ATOM 121 NZ LYS A 559 -2.729 10.620 -7.640 1.00 15.05 N +ATOM 122 N GLN A 560 -8.490 11.863 -12.599 1.00 15.77 N +ATOM 123 CA GLN A 560 -9.919 11.963 -12.847 1.00 15.85 C +ATOM 124 C GLN A 560 -10.456 10.592 -13.265 1.00 15.77 C +ATOM 125 O GLN A 560 -11.538 10.184 -12.829 1.00 16.26 O +ATOM 126 CB GLN A 560 -10.240 13.023 -13.904 1.00 15.55 C +ATOM 127 CG GLN A 560 -11.762 13.286 -14.123 1.00 16.71 C +ATOM 128 CD GLN A 560 -12.508 13.903 -12.927 1.00 17.46 C +ATOM 129 OE1 GLN A 560 -11.944 14.674 -12.130 1.00 18.58 O +ATOM 130 NE2 GLN A 560 -13.812 13.605 -12.834 1.00 17.44 N +ATOM 131 N MET A 561 -9.713 9.898 -14.126 1.00 16.03 N +ATOM 132 CA MET A 561 -10.123 8.591 -14.620 1.00 16.26 C +ATOM 133 C MET A 561 -10.222 7.597 -13.471 1.00 16.96 C +ATOM 134 O MET A 561 -11.159 6.822 -13.400 1.00 17.21 O +ATOM 135 CB MET A 561 -9.121 8.075 -15.654 1.00 16.32 C +ATOM 136 CG MET A 561 -9.197 8.896 -16.972 1.00 17.40 C +ATOM 137 SD MET A 561 -7.834 8.526 -18.095 1.00 22.15 S +ATOM 138 CE MET A 561 -8.005 6.793 -18.140 1.00 18.77 C +ATOM 139 N LEU A 562 -9.217 7.620 -12.602 1.00 15.64 N +ATOM 140 CA LEU A 562 -9.211 6.754 -11.411 1.00 15.46 C +ATOM 141 C LEU A 562 -10.387 7.094 -10.503 1.00 15.84 C +ATOM 142 O LEU A 562 -11.112 6.175 -10.020 1.00 16.34 O +ATOM 143 CB LEU A 562 -7.878 6.875 -10.667 1.00 14.95 C +ATOM 144 CG LEU A 562 -6.806 6.148 -11.445 1.00 15.80 C +ATOM 145 CD1 LEU A 562 -5.417 6.583 -10.935 1.00 18.19 C +ATOM 146 CD2 LEU A 562 -7.050 4.669 -11.193 1.00 15.18 C +ATOM 147 N GLY A 563 -10.622 8.391 -10.295 1.00 15.45 N +ATOM 148 CA GLY A 563 -11.735 8.823 -9.425 1.00 16.02 C +ATOM 149 C GLY A 563 -13.080 8.365 -9.969 1.00 15.36 C +ATOM 150 O GLY A 563 -13.972 7.983 -9.182 1.00 15.61 O +ATOM 151 N GLU A 564 -13.254 8.401 -11.301 1.00 15.50 N +ATOM 152 CA GLU A 564 -14.512 7.960 -11.912 1.00 16.21 C +ATOM 153 C GLU A 564 -14.852 6.519 -11.574 1.00 16.02 C +ATOM 154 O GLU A 564 -16.032 6.200 -11.407 1.00 16.71 O +ATOM 155 CB GLU A 564 -14.507 8.146 -13.445 1.00 16.90 C +ATOM 156 CG GLU A 564 -14.349 9.575 -13.896 1.00 22.00 C +ATOM 157 CD GLU A 564 -15.568 10.476 -13.668 1.00 25.23 C +ATOM 158 OE1 GLU A 564 -16.561 10.091 -12.987 1.00 28.33 O +ATOM 159 OE2 GLU A 564 -15.516 11.611 -14.193 1.00 25.01 O +ATOM 160 N ARG A 565 -13.831 5.662 -11.472 1.00 15.95 N +ATOM 161 CA ARG A 565 -14.062 4.252 -11.174 1.00 15.93 C +ATOM 162 C ARG A 565 -14.228 4.028 -9.678 1.00 14.41 C +ATOM 163 O ARG A 565 -15.007 3.178 -9.238 1.00 13.80 O +ATOM 164 CB ARG A 565 -12.924 3.368 -11.713 1.00 16.43 C +ATOM 165 CG ARG A 565 -12.634 3.564 -13.201 1.00 18.31 C +ATOM 166 CD ARG A 565 -13.890 3.392 -14.064 1.00 22.94 C +ATOM 167 NE ARG A 565 -13.536 3.310 -15.488 1.00 25.77 N +ATOM 168 CZ ARG A 565 -13.608 2.206 -16.228 1.00 27.59 C +ATOM 169 NH1 ARG A 565 -14.041 1.059 -15.704 1.00 27.55 N +ATOM 170 NH2 ARG A 565 -13.263 2.250 -17.507 1.00 28.34 N +ATOM 171 N LEU A 566 -13.474 4.782 -8.898 1.00 15.71 N +ATOM 172 CA LEU A 566 -13.550 4.664 -7.446 1.00 16.42 C +ATOM 173 C LEU A 566 -14.842 5.227 -6.827 1.00 16.93 C +ATOM 174 O LEU A 566 -15.366 4.695 -5.846 1.00 16.24 O +ATOM 175 CB LEU A 566 -12.355 5.343 -6.794 1.00 17.99 C +ATOM 176 CG LEU A 566 -11.032 4.597 -6.943 1.00 20.67 C +ATOM 177 CD1 LEU A 566 -9.892 5.536 -6.687 1.00 21.92 C +ATOM 178 CD2 LEU A 566 -10.985 3.372 -5.998 1.00 22.01 C +ATOM 179 N PHE A 567 -15.339 6.312 -7.411 1.00 16.37 N +ATOM 180 CA PHE A 567 -16.424 7.049 -6.798 1.00 16.55 C +ATOM 181 C PHE A 567 -17.674 6.197 -6.520 1.00 16.49 C +ATOM 182 O PHE A 567 -18.182 6.231 -5.405 1.00 16.97 O +ATOM 183 CB PHE A 567 -16.789 8.282 -7.641 1.00 16.89 C +ATOM 184 CG PHE A 567 -17.910 9.061 -7.052 1.00 15.07 C +ATOM 185 CD1 PHE A 567 -17.663 9.986 -6.048 1.00 17.71 C +ATOM 186 CD2 PHE A 567 -19.210 8.823 -7.464 1.00 17.26 C +ATOM 187 CE1 PHE A 567 -18.721 10.714 -5.447 1.00 18.62 C +ATOM 188 CE2 PHE A 567 -20.276 9.516 -6.891 1.00 16.89 C +ATOM 189 CZ PHE A 567 -20.022 10.466 -5.864 1.00 18.06 C +ATOM 190 N PRO A 568 -18.190 5.457 -7.534 1.00 17.18 N +ATOM 191 CA PRO A 568 -19.400 4.653 -7.249 1.00 16.55 C +ATOM 192 C PRO A 568 -19.219 3.664 -6.082 1.00 16.35 C +ATOM 193 O PRO A 568 -20.183 3.394 -5.336 1.00 16.05 O +ATOM 194 CB PRO A 568 -19.669 3.886 -8.549 1.00 17.54 C +ATOM 195 CG PRO A 568 -18.628 4.289 -9.519 1.00 18.36 C +ATOM 196 CD PRO A 568 -17.726 5.325 -8.921 1.00 17.62 C +ATOM 197 N LEU A 569 -18.007 3.137 -5.953 1.00 14.48 N +ATOM 198 CA LEU A 569 -17.688 2.187 -4.895 1.00 14.69 C +ATOM 199 C LEU A 569 -17.665 2.894 -3.558 1.00 14.65 C +ATOM 200 O LEU A 569 -18.224 2.419 -2.577 1.00 15.98 O +ATOM 201 CB LEU A 569 -16.360 1.455 -5.151 1.00 14.32 C +ATOM 202 CG LEU A 569 -16.255 0.719 -6.510 1.00 15.96 C +ATOM 203 CD1 LEU A 569 -14.830 0.118 -6.684 1.00 16.49 C +ATOM 204 CD2 LEU A 569 -17.384 -0.307 -6.717 1.00 16.69 C +ATOM 205 N ILE A 570 -16.994 4.038 -3.513 1.00 15.09 N +ATOM 206 CA ILE A 570 -16.948 4.830 -2.281 1.00 15.22 C +ATOM 207 C ILE A 570 -18.344 5.343 -1.899 1.00 14.88 C +ATOM 208 O ILE A 570 -18.717 5.301 -0.725 1.00 15.68 O +ATOM 209 CB ILE A 570 -15.887 5.920 -2.411 1.00 14.79 C +ATOM 210 CG1 ILE A 570 -14.524 5.234 -2.568 1.00 14.42 C +ATOM 211 CG2 ILE A 570 -15.918 6.862 -1.199 1.00 17.48 C +ATOM 212 CD1 ILE A 570 -13.429 6.185 -2.970 1.00 17.43 C +ATOM 213 N GLN A 571 -19.109 5.821 -2.864 1.00 15.12 N +ATOM 214 CA GLN A 571 -20.472 6.296 -2.586 1.00 15.43 C +ATOM 215 C GLN A 571 -21.345 5.187 -2.038 1.00 16.37 C +ATOM 216 O GLN A 571 -22.229 5.445 -1.227 1.00 16.17 O +ATOM 217 CB GLN A 571 -21.106 6.832 -3.854 1.00 14.94 C +ATOM 218 CG GLN A 571 -22.506 7.452 -3.643 1.00 17.63 C +ATOM 219 CD GLN A 571 -23.102 7.994 -4.936 1.00 17.37 C +ATOM 220 OE1 GLN A 571 -23.401 9.169 -5.002 1.00 18.38 O +ATOM 221 NE2 GLN A 571 -23.267 7.138 -5.955 1.00 19.55 N +ATOM 222 N ALA A 572 -21.132 3.951 -2.510 1.00 15.95 N +ATOM 223 CA ALA A 572 -21.910 2.801 -1.967 1.00 16.98 C +ATOM 224 C ALA A 572 -21.669 2.619 -0.456 1.00 16.95 C +ATOM 225 O ALA A 572 -22.579 2.302 0.303 1.00 16.60 O +ATOM 226 CB ALA A 572 -21.571 1.536 -2.712 1.00 16.58 C +ATOM 227 N MET A 573 -20.418 2.806 -0.039 1.00 18.05 N +ATOM 228 CA MET A 573 -19.987 2.657 1.335 1.00 20.15 C +ATOM 229 C MET A 573 -20.430 3.838 2.200 1.00 19.26 C +ATOM 230 O MET A 573 -20.815 3.668 3.358 1.00 19.26 O +ATOM 231 CB MET A 573 -18.453 2.487 1.340 1.00 20.44 C +ATOM 232 CG MET A 573 -17.971 1.449 0.267 1.00 22.53 C +ATOM 233 SD MET A 573 -16.175 1.399 -0.125 1.00 28.55 S +ATOM 234 CE MET A 573 -15.730 1.258 1.541 1.00 24.27 C +ATOM 235 N HIS A 574 -20.343 5.041 1.635 1.00 18.63 N +ATOM 236 CA HIS A 574 -20.614 6.286 2.368 1.00 19.52 C +ATOM 237 C HIS A 574 -21.193 7.347 1.447 1.00 19.77 C +ATOM 238 O HIS A 574 -20.431 8.197 0.945 1.00 19.51 O +ATOM 239 CB HIS A 574 -19.287 6.829 2.895 1.00 19.27 C +ATOM 240 CG HIS A 574 -18.685 6.003 3.969 1.00 22.57 C +ATOM 241 ND1 HIS A 574 -19.154 6.028 5.261 1.00 23.42 N +ATOM 242 CD2 HIS A 574 -17.654 5.127 3.951 1.00 22.09 C +ATOM 243 CE1 HIS A 574 -18.446 5.189 5.995 1.00 24.81 C +ATOM 244 NE2 HIS A 574 -17.535 4.626 5.222 1.00 23.57 N +ATOM 245 N PRO A 575 -22.516 7.300 1.186 1.00 18.95 N +ATOM 246 CA PRO A 575 -23.110 8.197 0.203 1.00 19.66 C +ATOM 247 C PRO A 575 -22.885 9.686 0.520 1.00 20.49 C +ATOM 248 O PRO A 575 -22.677 10.473 -0.397 1.00 21.42 O +ATOM 249 CB PRO A 575 -24.603 7.839 0.259 1.00 19.85 C +ATOM 250 CG PRO A 575 -24.626 6.410 0.741 1.00 19.44 C +ATOM 251 CD PRO A 575 -23.520 6.383 1.764 1.00 19.95 C +ATOM 252 N THR A 576 -22.906 10.066 1.794 1.00 20.93 N +ATOM 253 CA THR A 576 -22.783 11.495 2.164 1.00 21.84 C +ATOM 254 C THR A 576 -21.378 12.043 1.938 1.00 22.40 C +ATOM 255 O THR A 576 -21.192 13.153 1.426 1.00 23.21 O +ATOM 256 CB THR A 576 -23.135 11.710 3.648 1.00 22.43 C +ATOM 257 OG1 THR A 576 -24.462 11.242 3.885 1.00 23.35 O +ATOM 258 CG2 THR A 576 -23.023 13.185 4.053 1.00 23.82 C +ATOM 259 N LEU A 577 -20.391 11.275 2.362 1.00 21.38 N +ATOM 260 CA LEU A 577 -19.040 11.765 2.376 1.00 21.87 C +ATOM 261 C LEU A 577 -18.318 11.482 1.059 1.00 21.20 C +ATOM 262 O LEU A 577 -17.159 11.839 0.924 1.00 20.52 O +ATOM 263 CB LEU A 577 -18.297 11.135 3.565 1.00 21.72 C +ATOM 264 CG LEU A 577 -18.780 11.428 5.004 1.00 24.05 C +ATOM 265 CD1 LEU A 577 -17.806 10.809 6.008 1.00 25.82 C +ATOM 266 CD2 LEU A 577 -18.916 12.924 5.254 1.00 24.82 C +ATOM 267 N ALA A 578 -19.006 10.864 0.087 1.00 20.73 N +ATOM 268 CA ALA A 578 -18.320 10.261 -1.064 1.00 19.47 C +ATOM 269 C ALA A 578 -17.380 11.183 -1.857 1.00 18.42 C +ATOM 270 O ALA A 578 -16.270 10.797 -2.144 1.00 18.35 O +ATOM 271 CB ALA A 578 -19.324 9.562 -2.013 1.00 20.49 C +ATOM 272 N GLY A 579 -17.831 12.381 -2.197 1.00 17.90 N +ATOM 273 CA GLY A 579 -16.983 13.306 -2.948 1.00 17.72 C +ATOM 274 C GLY A 579 -15.712 13.655 -2.181 1.00 15.84 C +ATOM 275 O GLY A 579 -14.614 13.670 -2.740 1.00 17.94 O +ATOM 276 N LYS A 580 -15.857 13.887 -0.886 1.00 15.98 N +ATOM 277 CA LYS A 580 -14.723 14.272 -0.076 1.00 16.27 C +ATOM 278 C LYS A 580 -13.777 13.117 0.151 1.00 16.09 C +ATOM 279 O LYS A 580 -12.572 13.263 0.047 1.00 15.55 O +ATOM 280 CB LYS A 580 -15.202 14.862 1.261 1.00 16.20 C +ATOM 281 CG LYS A 580 -14.037 15.296 2.167 1.00 19.43 C +ATOM 282 CD LYS A 580 -13.180 16.398 1.492 1.00 23.58 C +ATOM 283 CE LYS A 580 -13.038 17.618 2.405 1.00 23.18 C +ATOM 284 NZ LYS A 580 -11.985 18.568 1.977 1.00 20.26 N +ATOM 285 N ILE A 581 -14.345 11.952 0.441 1.00 15.58 N +ATOM 286 CA ILE A 581 -13.513 10.772 0.610 1.00 16.63 C +ATOM 287 C ILE A 581 -12.736 10.464 -0.657 1.00 16.70 C +ATOM 288 O ILE A 581 -11.539 10.167 -0.580 1.00 16.54 O +ATOM 289 CB ILE A 581 -14.328 9.541 1.064 1.00 17.97 C +ATOM 290 CG1 ILE A 581 -14.987 9.820 2.403 1.00 17.22 C +ATOM 291 CG2 ILE A 581 -13.429 8.290 1.106 1.00 18.02 C +ATOM 292 CD1 ILE A 581 -16.089 8.795 2.681 1.00 23.08 C +ATOM 293 N THR A 582 -13.419 10.489 -1.819 1.00 16.05 N +ATOM 294 CA THR A 582 -12.727 10.221 -3.079 1.00 17.02 C +ATOM 295 C THR A 582 -11.551 11.199 -3.290 1.00 16.80 C +ATOM 296 O THR A 582 -10.426 10.796 -3.627 1.00 16.35 O +ATOM 297 CB THR A 582 -13.714 10.213 -4.258 1.00 17.09 C +ATOM 298 OG1 THR A 582 -14.760 9.286 -3.987 1.00 15.59 O +ATOM 299 CG2 THR A 582 -12.996 9.846 -5.574 1.00 18.76 C +ATOM 300 N GLY A 583 -11.819 12.481 -3.061 1.00 15.67 N +ATOM 301 CA GLY A 583 -10.799 13.531 -3.151 1.00 17.05 C +ATOM 302 C GLY A 583 -9.587 13.236 -2.289 1.00 16.93 C +ATOM 303 O GLY A 583 -8.412 13.415 -2.706 1.00 17.83 O +ATOM 304 N MET A 584 -9.855 12.795 -1.062 1.00 16.28 N +ATOM 305 CA MET A 584 -8.772 12.417 -0.142 1.00 16.75 C +ATOM 306 C MET A 584 -7.938 11.273 -0.680 1.00 16.67 C +ATOM 307 O MET A 584 -6.697 11.356 -0.668 1.00 17.65 O +ATOM 308 CB MET A 584 -9.336 12.070 1.251 1.00 15.93 C +ATOM 309 CG MET A 584 -9.913 13.304 2.002 1.00 15.15 C +ATOM 310 SD MET A 584 -10.750 12.822 3.525 1.00 16.69 S +ATOM 311 CE MET A 584 -9.332 12.161 4.423 1.00 15.29 C +ATOM 312 N LEU A 585 -8.597 10.245 -1.220 1.00 16.33 N +ATOM 313 CA ALEU A 585 -7.884 9.058 -1.708 0.50 16.78 C +ATOM 314 CA BLEU A 585 -7.868 9.070 -1.694 0.50 16.94 C +ATOM 315 C LEU A 585 -7.084 9.381 -2.959 1.00 17.41 C +ATOM 316 O LEU A 585 -6.040 8.776 -3.209 1.00 17.17 O +ATOM 317 CB ALEU A 585 -8.845 7.887 -1.964 0.50 16.93 C +ATOM 318 CB BLEU A 585 -8.806 7.877 -1.890 0.50 17.29 C +ATOM 319 CG ALEU A 585 -9.043 6.890 -0.810 0.50 17.34 C +ATOM 320 CG BLEU A 585 -9.502 7.415 -0.602 0.50 18.15 C +ATOM 321 CD1ALEU A 585 -9.770 7.520 0.361 0.50 18.48 C +ATOM 322 CD1BLEU A 585 -10.297 6.133 -0.851 0.50 21.15 C +ATOM 323 CD2ALEU A 585 -9.806 5.650 -1.291 0.50 17.31 C +ATOM 324 CD2BLEU A 585 -8.530 7.224 0.554 0.50 19.20 C +ATOM 325 N LEU A 586 -7.583 10.337 -3.746 1.00 16.46 N +ATOM 326 CA LEU A 586 -6.882 10.714 -4.987 1.00 18.13 C +ATOM 327 C LEU A 586 -5.486 11.332 -4.772 1.00 19.27 C +ATOM 328 O LEU A 586 -4.717 11.430 -5.719 1.00 20.47 O +ATOM 329 CB LEU A 586 -7.777 11.548 -5.922 1.00 17.99 C +ATOM 330 CG LEU A 586 -8.904 10.792 -6.646 1.00 18.74 C +ATOM 331 CD1 LEU A 586 -9.681 11.791 -7.482 1.00 18.41 C +ATOM 332 CD2 LEU A 586 -8.442 9.595 -7.512 1.00 20.93 C +ATOM 333 N GLU A 587 -5.139 11.694 -3.523 1.00 19.26 N +ATOM 334 CA GLU A 587 -3.770 12.122 -3.171 1.00 19.66 C +ATOM 335 C GLU A 587 -2.753 10.972 -3.273 1.00 19.19 C +ATOM 336 O GLU A 587 -1.548 11.205 -3.398 1.00 19.31 O +ATOM 337 CB GLU A 587 -3.704 12.632 -1.729 1.00 19.74 C +ATOM 338 CG GLU A 587 -4.785 13.644 -1.256 1.00 22.30 C +ATOM 339 CD GLU A 587 -4.719 13.869 0.281 1.00 22.75 C +ATOM 340 OE1 GLU A 587 -5.429 13.172 1.047 1.00 23.82 O +ATOM 341 OE2 GLU A 587 -3.936 14.740 0.733 1.00 29.63 O +ATOM 342 N ILE A 588 -3.235 9.743 -3.157 1.00 17.78 N +ATOM 343 CA ILE A 588 -2.394 8.530 -3.203 1.00 18.63 C +ATOM 344 C ILE A 588 -1.828 8.317 -4.608 1.00 18.59 C +ATOM 345 O ILE A 588 -2.468 8.699 -5.589 1.00 18.26 O +ATOM 346 CB ILE A 588 -3.229 7.324 -2.756 1.00 19.00 C +ATOM 347 CG1 ILE A 588 -3.560 7.455 -1.266 1.00 18.99 C +ATOM 348 CG2 ILE A 588 -2.568 5.971 -3.085 1.00 20.67 C +ATOM 349 CD1 ILE A 588 -4.657 6.512 -0.828 1.00 20.57 C +ATOM 350 N ASP A 589 -0.631 7.716 -4.692 1.00 19.70 N +ATOM 351 CA ASP A 589 0.004 7.425 -6.000 1.00 20.79 C +ATOM 352 C ASP A 589 -0.925 6.573 -6.904 1.00 20.53 C +ATOM 353 O ASP A 589 -1.697 5.734 -6.422 1.00 18.78 O +ATOM 354 CB ASP A 589 1.384 6.769 -5.824 1.00 22.31 C +ATOM 355 CG ASP A 589 2.512 7.784 -5.527 1.00 25.99 C +ATOM 356 OD1 ASP A 589 2.248 9.008 -5.400 1.00 31.41 O +ATOM 357 OD2 ASP A 589 3.691 7.357 -5.438 1.00 30.70 O +ATOM 358 N ASN A 590 -0.884 6.825 -8.205 1.00 19.69 N +ATOM 359 CA ASN A 590 -1.796 6.154 -9.136 1.00 19.42 C +ATOM 360 C ASN A 590 -1.678 4.630 -9.162 1.00 18.89 C +ATOM 361 O ASN A 590 -2.684 3.946 -9.332 1.00 17.85 O +ATOM 362 CB ASN A 590 -1.631 6.731 -10.539 1.00 20.07 C +ATOM 363 CG ASN A 590 -2.177 8.145 -10.652 1.00 19.98 C +ATOM 364 OD1 ASN A 590 -2.749 8.679 -9.705 1.00 21.70 O +ATOM 365 ND2 ASN A 590 -1.992 8.761 -11.813 1.00 21.30 N +ATOM 366 N SER A 591 -0.455 4.101 -9.030 1.00 18.07 N +ATOM 367 CA SER A 591 -0.271 2.649 -8.930 1.00 19.16 C +ATOM 368 C SER A 591 -0.980 2.053 -7.726 1.00 19.84 C +ATOM 369 O SER A 591 -1.621 0.996 -7.831 1.00 20.52 O +ATOM 370 CB SER A 591 1.212 2.282 -8.923 1.00 19.91 C +ATOM 371 OG SER A 591 1.723 2.536 -10.202 1.00 23.27 O +ATOM 372 N GLU A 592 -0.908 2.747 -6.593 1.00 19.09 N +ATOM 373 CA GLU A 592 -1.616 2.310 -5.400 1.00 20.64 C +ATOM 374 C GLU A 592 -3.128 2.412 -5.590 1.00 19.79 C +ATOM 375 O GLU A 592 -3.879 1.550 -5.123 1.00 20.80 O +ATOM 376 CB GLU A 592 -1.134 3.103 -4.186 1.00 20.75 C +ATOM 377 CG GLU A 592 -1.646 2.540 -2.873 1.00 26.91 C +ATOM 378 CD GLU A 592 -0.864 3.039 -1.670 1.00 32.65 C +ATOM 379 OE1 GLU A 592 0.099 3.829 -1.848 1.00 35.94 O +ATOM 380 OE2 GLU A 592 -1.216 2.632 -0.539 1.00 35.91 O +ATOM 381 N LEU A 593 -3.582 3.456 -6.281 1.00 18.76 N +ATOM 382 CA LEU A 593 -5.017 3.582 -6.583 1.00 17.95 C +ATOM 383 C LEU A 593 -5.517 2.449 -7.476 1.00 17.54 C +ATOM 384 O LEU A 593 -6.623 1.922 -7.236 1.00 17.79 O +ATOM 385 CB LEU A 593 -5.318 4.935 -7.241 1.00 18.12 C +ATOM 386 CG LEU A 593 -5.194 6.129 -6.288 1.00 19.35 C +ATOM 387 CD1 LEU A 593 -5.352 7.425 -7.040 1.00 19.11 C +ATOM 388 CD2 LEU A 593 -6.180 6.003 -5.106 1.00 23.65 C +ATOM 389 N LEU A 594 -4.719 2.083 -8.490 1.00 17.57 N +ATOM 390 CA LEU A 594 -5.029 0.889 -9.296 1.00 19.20 C +ATOM 391 C LEU A 594 -5.170 -0.372 -8.432 1.00 19.25 C +ATOM 392 O LEU A 594 -6.118 -1.162 -8.614 1.00 20.45 O +ATOM 393 CB LEU A 594 -3.964 0.663 -10.366 1.00 19.52 C +ATOM 394 CG LEU A 594 -4.073 1.441 -11.657 1.00 22.85 C +ATOM 395 CD1 LEU A 594 -2.905 1.036 -12.568 1.00 25.54 C +ATOM 396 CD2 LEU A 594 -5.427 1.139 -12.334 1.00 24.07 C +ATOM 397 N HIS A 595 -4.239 -0.558 -7.487 1.00 18.96 N +ATOM 398 CA HIS A 595 -4.312 -1.694 -6.561 1.00 19.52 C +ATOM 399 C HIS A 595 -5.631 -1.655 -5.763 1.00 19.40 C +ATOM 400 O HIS A 595 -6.298 -2.677 -5.567 1.00 19.82 O +ATOM 401 CB HIS A 595 -3.124 -1.713 -5.596 1.00 19.32 C +ATOM 402 CG HIS A 595 -3.230 -2.769 -4.546 1.00 21.12 C +ATOM 403 ND1 HIS A 595 -3.099 -2.497 -3.203 1.00 22.81 N +ATOM 404 CD2 HIS A 595 -3.456 -4.100 -4.642 1.00 20.34 C +ATOM 405 CE1 HIS A 595 -3.234 -3.616 -2.518 1.00 20.22 C +ATOM 406 NE2 HIS A 595 -3.454 -4.602 -3.366 1.00 20.99 N +ATOM 407 N MET A 596 -6.017 -0.465 -5.333 1.00 19.96 N +ATOM 408 CA MET A 596 -7.243 -0.311 -4.570 1.00 20.98 C +ATOM 409 C MET A 596 -8.461 -0.676 -5.409 1.00 19.43 C +ATOM 410 O MET A 596 -9.414 -1.288 -4.919 1.00 19.35 O +ATOM 411 CB MET A 596 -7.313 1.102 -4.008 1.00 20.34 C +ATOM 412 CG MET A 596 -6.226 1.305 -2.928 1.00 24.32 C +ATOM 413 SD MET A 596 -5.846 3.039 -2.655 1.00 28.55 S +ATOM 414 CE MET A 596 -7.498 3.657 -2.426 1.00 24.47 C +ATOM 415 N LEU A 597 -8.407 -0.349 -6.693 1.00 19.06 N +ATOM 416 CA LEU A 597 -9.508 -0.717 -7.600 1.00 20.19 C +ATOM 417 C LEU A 597 -9.632 -2.230 -7.801 1.00 20.46 C +ATOM 418 O LEU A 597 -10.743 -2.742 -8.036 1.00 21.51 O +ATOM 419 CB LEU A 597 -9.327 -0.015 -8.938 1.00 20.55 C +ATOM 420 CG LEU A 597 -9.895 1.395 -8.957 1.00 23.69 C +ATOM 421 CD1 LEU A 597 -9.427 2.100 -10.226 1.00 27.94 C +ATOM 422 CD2 LEU A 597 -11.433 1.321 -8.918 1.00 25.14 C +ATOM 423 N GLU A 598 -8.500 -2.929 -7.688 1.00 19.20 N +ATOM 424 CA GLU A 598 -8.411 -4.384 -7.856 1.00 20.09 C +ATOM 425 C GLU A 598 -8.683 -5.161 -6.569 1.00 19.74 C +ATOM 426 O GLU A 598 -8.973 -6.362 -6.608 1.00 21.00 O +ATOM 427 CB GLU A 598 -7.012 -4.757 -8.358 1.00 20.27 C +ATOM 428 CG GLU A 598 -6.667 -4.182 -9.699 1.00 22.82 C +ATOM 429 CD GLU A 598 -5.272 -4.573 -10.149 1.00 27.00 C +ATOM 430 OE1 GLU A 598 -4.474 -5.027 -9.293 1.00 28.54 O +ATOM 431 OE2 GLU A 598 -4.973 -4.406 -11.350 1.00 28.98 O +ATOM 432 N SER A 599 -8.574 -4.504 -5.426 1.00 17.94 N +ATOM 433 CA SER A 599 -8.645 -5.182 -4.148 1.00 17.43 C +ATOM 434 C SER A 599 -9.695 -4.541 -3.231 1.00 17.01 C +ATOM 435 O SER A 599 -9.394 -3.565 -2.511 1.00 16.19 O +ATOM 436 CB SER A 599 -7.279 -5.236 -3.468 1.00 18.71 C +ATOM 437 OG SER A 599 -7.395 -5.724 -2.137 1.00 19.64 O +ATOM 438 N PRO A 600 -10.932 -5.059 -3.274 1.00 15.53 N +ATOM 439 CA PRO A 600 -12.000 -4.528 -2.384 1.00 15.23 C +ATOM 440 C PRO A 600 -11.595 -4.414 -0.910 1.00 15.47 C +ATOM 441 O PRO A 600 -11.942 -3.430 -0.262 1.00 15.21 O +ATOM 442 CB PRO A 600 -13.136 -5.547 -2.556 1.00 15.29 C +ATOM 443 CG PRO A 600 -12.930 -6.096 -3.932 1.00 15.78 C +ATOM 444 CD PRO A 600 -11.447 -6.079 -4.209 1.00 16.18 C +ATOM 445 N GLU A 601 -10.866 -5.401 -0.382 1.00 14.72 N +ATOM 446 CA GLU A 601 -10.381 -5.298 1.017 1.00 15.83 C +ATOM 447 C GLU A 601 -9.465 -4.082 1.222 1.00 15.79 C +ATOM 448 O GLU A 601 -9.562 -3.396 2.245 1.00 16.62 O +ATOM 449 CB GLU A 601 -9.660 -6.588 1.436 1.00 16.83 C +ATOM 450 CG GLU A 601 -10.604 -7.735 1.659 1.00 20.93 C +ATOM 451 CD GLU A 601 -11.462 -7.556 2.895 1.00 25.33 C +ATOM 452 OE1 GLU A 601 -12.403 -8.361 3.072 1.00 30.03 O +ATOM 453 OE2 GLU A 601 -11.184 -6.649 3.704 1.00 28.55 O +ATOM 454 N SER A 602 -8.583 -3.826 0.249 1.00 16.15 N +ATOM 455 CA ASER A 602 -7.640 -2.708 0.349 0.50 16.03 C +ATOM 456 CA BSER A 602 -7.635 -2.705 0.318 0.50 16.12 C +ATOM 457 C SER A 602 -8.391 -1.392 0.276 1.00 16.58 C +ATOM 458 O SER A 602 -8.142 -0.454 1.072 1.00 16.87 O +ATOM 459 CB ASER A 602 -6.586 -2.800 -0.758 0.50 16.31 C +ATOM 460 CB BSER A 602 -6.655 -2.775 -0.859 0.50 16.28 C +ATOM 461 OG ASER A 602 -5.690 -3.869 -0.503 0.50 13.94 O +ATOM 462 OG BSER A 602 -5.737 -1.697 -0.826 0.50 14.77 O +ATOM 463 N LEU A 603 -9.333 -1.332 -0.642 1.00 15.26 N +ATOM 464 CA LEU A 603 -10.111 -0.098 -0.783 1.00 15.05 C +ATOM 465 C LEU A 603 -10.890 0.159 0.486 1.00 15.80 C +ATOM 466 O LEU A 603 -10.929 1.290 0.959 1.00 15.35 O +ATOM 467 CB LEU A 603 -11.027 -0.174 -1.997 1.00 13.99 C +ATOM 468 CG LEU A 603 -11.964 1.049 -2.135 1.00 15.23 C +ATOM 469 CD1 LEU A 603 -11.122 2.322 -2.322 1.00 13.49 C +ATOM 470 CD2 LEU A 603 -12.921 0.865 -3.287 1.00 14.48 C +ATOM 471 N ARG A 604 -11.501 -0.885 1.056 1.00 15.92 N +ATOM 472 CA ARG A 604 -12.350 -0.694 2.227 1.00 17.77 C +ATOM 473 C ARG A 604 -11.496 -0.200 3.411 1.00 18.14 C +ATOM 474 O ARG A 604 -11.892 0.736 4.117 1.00 18.80 O +ATOM 475 CB ARG A 604 -13.102 -1.980 2.535 1.00 17.71 C +ATOM 476 CG ARG A 604 -13.975 -1.914 3.734 1.00 20.85 C +ATOM 477 CD ARG A 604 -13.994 -3.295 4.273 1.00 24.14 C +ATOM 478 NE ARG A 604 -15.324 -3.646 4.695 1.00 30.39 N +ATOM 479 CZ ARG A 604 -15.642 -4.834 5.180 1.00 25.93 C +ATOM 480 NH1 ARG A 604 -14.704 -5.759 5.326 1.00 29.67 N +ATOM 481 NH2 ARG A 604 -16.886 -5.073 5.534 1.00 29.08 N +ATOM 482 N SER A 605 -10.310 -0.768 3.594 1.00 17.59 N +ATOM 483 CA SER A 605 -9.423 -0.318 4.693 1.00 18.88 C +ATOM 484 C SER A 605 -9.065 1.170 4.508 1.00 18.84 C +ATOM 485 O SER A 605 -9.136 1.948 5.469 1.00 19.41 O +ATOM 486 CB SER A 605 -8.188 -1.219 4.880 1.00 20.81 C +ATOM 487 OG SER A 605 -7.273 -1.093 3.799 1.00 26.44 O +ATOM 488 N LYS A 606 -8.736 1.573 3.283 1.00 17.19 N +ATOM 489 CA LYS A 606 -8.365 2.963 3.011 1.00 17.70 C +ATOM 490 C LYS A 606 -9.535 3.915 3.199 1.00 17.08 C +ATOM 491 O LYS A 606 -9.377 5.054 3.667 1.00 15.89 O +ATOM 492 CB LYS A 606 -7.824 3.100 1.596 1.00 19.05 C +ATOM 493 CG LYS A 606 -6.892 4.287 1.417 1.00 23.36 C +ATOM 494 CD LYS A 606 -5.840 4.425 2.533 1.00 27.60 C +ATOM 495 CE LYS A 606 -4.781 3.339 2.479 1.00 29.55 C +ATOM 496 NZ LYS A 606 -3.643 3.631 3.435 1.00 32.32 N +ATOM 497 N VAL A 607 -10.713 3.462 2.799 1.00 16.39 N +ATOM 498 CA VAL A 607 -11.896 4.308 2.972 1.00 17.22 C +ATOM 499 C VAL A 607 -12.217 4.471 4.471 1.00 17.90 C +ATOM 500 O VAL A 607 -12.561 5.572 4.922 1.00 17.45 O +ATOM 501 CB VAL A 607 -13.092 3.757 2.235 1.00 17.18 C +ATOM 502 CG1 VAL A 607 -14.373 4.531 2.625 1.00 15.44 C +ATOM 503 CG2 VAL A 607 -12.880 3.864 0.721 1.00 16.28 C +ATOM 504 N ASP A 608 -12.088 3.379 5.221 1.00 18.20 N +ATOM 505 CA ASP A 608 -12.255 3.413 6.685 1.00 19.41 C +ATOM 506 C ASP A 608 -11.291 4.429 7.300 1.00 19.62 C +ATOM 507 O ASP A 608 -11.685 5.219 8.168 1.00 18.90 O +ATOM 508 CB ASP A 608 -12.000 2.037 7.289 1.00 19.96 C +ATOM 509 CG ASP A 608 -13.105 1.016 6.980 1.00 23.26 C +ATOM 510 OD1 ASP A 608 -14.209 1.386 6.517 1.00 25.29 O +ATOM 511 OD2 ASP A 608 -12.873 -0.190 7.238 1.00 26.04 O +ATOM 512 N GLU A 609 -10.036 4.403 6.851 1.00 19.15 N +ATOM 513 CA GLU A 609 -9.033 5.365 7.328 1.00 19.53 C +ATOM 514 C GLU A 609 -9.436 6.805 7.005 1.00 18.79 C +ATOM 515 O GLU A 609 -9.352 7.718 7.868 1.00 18.27 O +ATOM 516 CB GLU A 609 -7.677 5.089 6.692 1.00 20.35 C +ATOM 517 CG GLU A 609 -6.976 3.860 7.235 1.00 24.98 C +ATOM 518 CD GLU A 609 -5.679 3.566 6.513 1.00 31.37 C +ATOM 519 OE1 GLU A 609 -5.166 2.436 6.663 1.00 34.63 O +ATOM 520 OE2 GLU A 609 -5.168 4.461 5.804 1.00 34.13 O +ATOM 521 N ALA A 610 -9.872 7.024 5.768 1.00 17.30 N +ATOM 522 CA ALA A 610 -10.256 8.357 5.317 1.00 16.12 C +ATOM 523 C ALA A 610 -11.460 8.898 6.095 1.00 15.84 C +ATOM 524 O ALA A 610 -11.465 10.063 6.487 1.00 15.67 O +ATOM 525 CB ALA A 610 -10.549 8.336 3.810 1.00 16.13 C +ATOM 526 N VAL A 611 -12.466 8.067 6.313 1.00 15.81 N +ATOM 527 CA VAL A 611 -13.663 8.493 7.070 1.00 16.14 C +ATOM 528 C VAL A 611 -13.287 8.855 8.514 1.00 16.60 C +ATOM 529 O VAL A 611 -13.734 9.876 9.063 1.00 15.91 O +ATOM 530 CB VAL A 611 -14.773 7.427 6.985 1.00 16.31 C +ATOM 531 CG1 VAL A 611 -15.941 7.762 7.955 1.00 15.72 C +ATOM 532 CG2 VAL A 611 -15.288 7.355 5.557 1.00 15.47 C +ATOM 533 N ALA A 612 -12.430 8.043 9.112 1.00 16.12 N +ATOM 534 CA ALA A 612 -11.991 8.285 10.493 1.00 16.62 C +ATOM 535 C ALA A 612 -11.202 9.597 10.584 1.00 17.41 C +ATOM 536 O ALA A 612 -11.397 10.375 11.508 1.00 16.89 O +ATOM 537 CB ALA A 612 -11.158 7.116 10.983 1.00 17.37 C +ATOM 538 N VAL A 613 -10.326 9.838 9.615 1.00 16.73 N +ATOM 539 CA VAL A 613 -9.563 11.124 9.561 1.00 17.67 C +ATOM 540 C VAL A 613 -10.500 12.334 9.350 1.00 17.71 C +ATOM 541 O VAL A 613 -10.430 13.353 10.059 1.00 16.78 O +ATOM 542 CB VAL A 613 -8.470 11.042 8.469 1.00 17.93 C +ATOM 543 CG1 VAL A 613 -7.944 12.432 8.081 1.00 17.72 C +ATOM 544 CG2 VAL A 613 -7.311 10.148 8.951 1.00 16.87 C +ATOM 545 N LEU A 614 -11.383 12.214 8.378 1.00 17.45 N +ATOM 546 CA LEU A 614 -12.331 13.287 8.067 1.00 16.55 C +ATOM 547 C LEU A 614 -13.173 13.584 9.286 1.00 17.12 C +ATOM 548 O LEU A 614 -13.322 14.739 9.677 1.00 17.33 O +ATOM 549 CB LEU A 614 -13.243 12.784 6.960 1.00 17.55 C +ATOM 550 CG LEU A 614 -13.531 13.695 5.791 1.00 21.70 C +ATOM 551 CD1 LEU A 614 -14.887 13.291 5.138 1.00 20.17 C +ATOM 552 CD2 LEU A 614 -13.404 15.187 6.067 1.00 18.20 C +ATOM 553 N GLN A 615 -13.678 12.532 9.938 1.00 16.89 N +ATOM 554 CA GLN A 615 -14.530 12.731 11.115 1.00 17.40 C +ATOM 555 C GLN A 615 -13.795 13.324 12.328 1.00 17.53 C +ATOM 556 O GLN A 615 -14.355 14.160 13.049 1.00 16.40 O +ATOM 557 CB GLN A 615 -15.263 11.452 11.467 1.00 17.28 C +ATOM 558 CG GLN A 615 -16.253 11.090 10.396 1.00 20.78 C +ATOM 559 CD GLN A 615 -17.049 9.859 10.730 1.00 26.19 C +ATOM 560 OE1 GLN A 615 -16.705 9.110 11.646 1.00 26.73 O +ATOM 561 NE2 GLN A 615 -18.118 9.622 9.960 1.00 27.66 N +ATOM 562 N ALA A 616 -12.544 12.922 12.531 1.00 16.34 N +ATOM 563 CA ALA A 616 -11.712 13.502 13.578 1.00 17.36 C +ATOM 564 C ALA A 616 -11.442 15.001 13.321 1.00 17.70 C +ATOM 565 O ALA A 616 -11.525 15.833 14.234 1.00 18.94 O +ATOM 566 CB ALA A 616 -10.405 12.706 13.712 1.00 16.21 C +ATOM 567 N HIS A 617 -11.130 15.334 12.075 1.00 17.60 N +ATOM 568 CA HIS A 617 -10.956 16.731 11.660 1.00 20.04 C +ATOM 569 C HIS A 617 -12.233 17.534 11.927 1.00 21.54 C +ATOM 570 O HIS A 617 -12.176 18.630 12.477 1.00 21.19 O +ATOM 571 CB HIS A 617 -10.553 16.781 10.179 1.00 18.92 C +ATOM 572 CG HIS A 617 -10.209 18.154 9.676 1.00 18.87 C +ATOM 573 ND1 HIS A 617 -9.123 18.863 10.132 1.00 18.87 N +ATOM 574 CD2 HIS A 617 -10.782 18.915 8.718 1.00 20.28 C +ATOM 575 CE1 HIS A 617 -9.063 20.026 9.503 1.00 18.93 C +ATOM 576 NE2 HIS A 617 -10.056 20.077 8.634 1.00 16.66 N +ATOM 577 N GLN A 618 -13.372 16.969 11.529 1.00 24.12 N +ATOM 578 CA GLN A 618 -14.670 17.614 11.667 1.00 26.25 C +ATOM 579 C GLN A 618 -14.980 17.886 13.120 1.00 27.24 C +ATOM 580 O GLN A 618 -15.580 18.922 13.447 1.00 27.60 O +ATOM 581 CB GLN A 618 -15.781 16.765 11.011 1.00 26.37 C +ATOM 582 CG GLN A 618 -15.762 16.825 9.474 1.00 27.91 C +ATOM 583 CD GLN A 618 -16.828 15.961 8.782 1.00 28.33 C +ATOM 584 OE1 GLN A 618 -17.252 14.931 9.308 1.00 34.02 O +ATOM 585 NE2 GLN A 618 -17.213 16.352 7.567 1.00 26.02 N +ATOM 586 N ALA A 619 -14.572 16.965 13.997 1.00 28.38 N +ATOM 587 CA ALA A 619 -14.756 17.146 15.432 1.00 29.66 C +ATOM 588 C ALA A 619 -13.955 18.352 15.927 1.00 30.28 C +ATOM 589 O ALA A 619 -14.466 19.187 16.695 1.00 30.64 O +ATOM 590 CB ALA A 619 -14.359 15.887 16.193 1.00 29.16 C +ATOM 591 N LYS A 620 -12.715 18.460 15.474 1.00 31.45 N +ATOM 592 CA LYS A 620 -11.900 19.614 15.834 1.00 32.21 C +ATOM 593 C LYS A 620 -12.500 20.934 15.340 1.00 32.81 C +ATOM 594 O LYS A 620 -12.571 21.912 16.094 1.00 32.73 O +ATOM 595 CB LYS A 620 -10.470 19.459 15.339 1.00 32.32 C +ATOM 596 CG LYS A 620 -9.570 20.604 15.787 1.00 32.66 C +ATOM 597 CD LYS A 620 -8.118 20.237 15.641 1.00 35.44 C +ATOM 598 CE LYS A 620 -7.591 19.524 16.876 1.00 35.79 C +ATOM 599 NZ LYS A 620 -6.106 19.474 16.831 1.00 34.32 N +ATOM 600 N GLU A 621 -12.951 20.964 14.092 1.00 33.42 N +ATOM 601 CA GLU A 621 -13.586 22.174 13.547 1.00 34.05 C +ATOM 602 C GLU A 621 -14.945 22.490 14.192 1.00 34.08 C +ATOM 603 O GLU A 621 -15.289 23.674 14.378 1.00 33.96 O +ATOM 604 CB GLU A 621 -13.708 22.070 12.022 1.00 34.01 C +ATOM 605 CG GLU A 621 -12.361 22.044 11.314 1.00 35.37 C +ATOM 606 CD GLU A 621 -12.461 21.928 9.788 1.00 35.76 C +ATOM 607 OE1 GLU A 621 -13.373 21.232 9.277 1.00 39.66 O +ATOM 608 OE2 GLU A 621 -11.605 22.537 9.102 1.00 37.90 O +ATOM 609 N ALA A 622 -15.710 21.449 14.532 1.00 33.94 N +ATOM 610 CA ALA A 622 -17.052 21.620 15.130 1.00 33.88 C +ATOM 611 C ALA A 622 -16.999 22.232 16.523 1.00 34.38 C +ATOM 612 O ALA A 622 -17.899 22.982 16.917 1.00 33.55 O +ATOM 613 CB ALA A 622 -17.791 20.295 15.179 1.00 33.85 C +ATOM 614 N ALA A 623 -15.928 21.911 17.247 1.00 35.09 N +ATOM 615 CA ALA A 623 -15.730 22.319 18.628 1.00 35.21 C +ATOM 616 C ALA A 623 -15.420 23.804 18.722 1.00 35.62 C +ATOM 617 O ALA A 623 -15.298 24.353 19.816 1.00 35.88 O +ATOM 618 CB ALA A 623 -14.603 21.499 19.253 1.00 35.48 C +ATOM 620 N THR B 913 0.193 10.464 3.799 1.00 28.62 N +ATOM 621 CA THR B 913 -1.065 10.184 4.566 1.00 28.13 C +ATOM 622 C THR B 913 -2.206 11.098 4.112 1.00 27.62 C +ATOM 623 O THR B 913 -1.989 12.049 3.360 1.00 28.56 O +ATOM 624 CB THR B 913 -0.859 10.244 6.115 1.00 28.50 C +ATOM 625 OG1 THR B 913 -1.126 11.564 6.613 1.00 30.70 O +ATOM 626 CG2 THR B 913 0.557 9.807 6.518 1.00 28.39 C +ATOM 627 N LEU B 914 -3.409 10.812 4.601 1.00 25.90 N +ATOM 628 CA LEU B 914 -4.646 11.415 4.110 1.00 24.88 C +ATOM 629 C LEU B 914 -4.900 12.796 4.719 1.00 23.48 C +ATOM 630 O LEU B 914 -4.859 12.956 5.938 1.00 23.11 O +ATOM 631 CB LEU B 914 -5.816 10.479 4.416 1.00 24.44 C +ATOM 632 CG LEU B 914 -5.667 9.036 3.907 1.00 25.78 C +ATOM 633 CD1 LEU B 914 -6.649 8.094 4.598 1.00 25.68 C +ATOM 634 CD2 LEU B 914 -5.837 8.991 2.399 1.00 23.71 C +ATOM 635 N ASN B 915 -5.141 13.778 3.854 1.00 22.36 N +ATOM 636 CA ASN B 915 -5.394 15.157 4.277 1.00 22.29 C +ATOM 637 C ASN B 915 -6.878 15.488 4.113 1.00 22.06 C +ATOM 638 O ASN B 915 -7.396 15.513 2.972 1.00 23.39 O +ATOM 639 CB ASN B 915 -4.510 16.136 3.452 1.00 22.30 C +ATOM 640 CG ASN B 915 -4.613 17.594 3.925 1.00 22.76 C +ATOM 641 OD1 ASN B 915 -5.611 17.999 4.471 1.00 24.82 O +ATOM 642 ND2 ASN B 915 -3.577 18.392 3.664 1.00 19.94 N +ATOM 643 N PRO B 916 -7.568 15.760 5.232 1.00 22.34 N +ATOM 644 CA PRO B 916 -8.993 16.046 5.194 1.00 22.29 C +ATOM 645 C PRO B 916 -9.299 17.379 4.519 1.00 21.76 C +ATOM 646 O PRO B 916 -10.470 17.681 4.316 1.00 23.10 O +ATOM 647 CB PRO B 916 -9.384 16.094 6.681 1.00 21.98 C +ATOM 648 CG PRO B 916 -8.114 16.538 7.355 1.00 24.00 C +ATOM 649 CD PRO B 916 -7.046 15.818 6.609 1.00 23.27 C +ATOM 650 N ASN B 917 -8.270 18.171 4.189 1.00 24.01 N +ATOM 651 CA ASN B 917 -8.460 19.400 3.420 1.00 24.08 C +ATOM 652 C ASN B 917 -8.361 19.216 1.911 1.00 24.03 C +ATOM 653 O ASN B 917 -8.419 20.169 1.177 1.00 24.16 O +ATOM 654 CB ASN B 917 -7.458 20.475 3.888 1.00 23.51 C +ATOM 655 CG ASN B 917 -7.757 20.956 5.257 1.00 24.06 C +ATOM 656 OD1 ASN B 917 -8.928 21.127 5.637 1.00 22.93 O +ATOM 657 ND2 ASN B 917 -6.716 21.231 6.010 1.00 22.38 N +ATOM 658 N ALA B 918 -8.265 17.971 1.451 1.00 25.16 N +ATOM 659 CA ALA B 918 -8.158 17.690 0.024 1.00 24.93 C +ATOM 660 C ALA B 918 -9.342 18.209 -0.797 1.00 25.59 C +ATOM 661 O ALA B 918 -10.474 18.312 -0.296 1.00 25.04 O +ATOM 662 CB ALA B 918 -7.994 16.194 -0.194 1.00 25.73 C +ATOM 663 N LYS B 919 -9.065 18.545 -2.060 1.00 26.13 N +ATOM 664 CA LYS B 919 -10.095 18.942 -3.016 1.00 27.25 C +ATOM 665 C LYS B 919 -11.147 17.845 -3.125 1.00 27.10 C +ATOM 666 O LYS B 919 -10.801 16.677 -3.324 1.00 27.55 O +ATOM 667 CB LYS B 919 -9.498 19.091 -4.424 1.00 27.72 C +ATOM 668 CG LYS B 919 -8.566 20.236 -4.655 1.00 30.98 C +ATOM 669 CD LYS B 919 -7.808 20.037 -5.966 1.00 32.81 C +ATOM 670 CE LYS B 919 -6.987 21.267 -6.354 1.00 34.34 C +ATOM 671 NZ LYS B 919 -5.897 21.571 -5.378 1.00 33.95 N +ATOM 672 N GLU B 920 -12.421 18.209 -3.038 1.00 26.49 N +ATOM 673 CA GLU B 920 -13.479 17.238 -3.312 1.00 26.98 C +ATOM 674 C GLU B 920 -13.450 16.792 -4.777 1.00 26.86 C +ATOM 675 O GLU B 920 -13.123 17.570 -5.672 1.00 26.59 O +ATOM 676 CB GLU B 920 -14.856 17.802 -2.963 1.00 27.49 C +ATOM 677 CG GLU B 920 -15.021 18.141 -1.480 1.00 30.18 C +ATOM 678 CD GLU B 920 -16.474 18.287 -1.070 1.00 33.75 C +ATOM 679 OE1 GLU B 920 -16.732 18.741 0.067 1.00 34.72 O +ATOM 680 OE2 GLU B 920 -17.354 17.942 -1.892 1.00 37.17 O +ATOM 681 N PHE B 921 -13.796 15.527 -4.994 1.00 26.50 N +ATOM 682 CA PHE B 921 -13.890 14.961 -6.328 1.00 26.06 C +ATOM 683 C PHE B 921 -15.282 15.161 -6.911 1.00 26.69 C +ATOM 684 O PHE B 921 -16.281 14.923 -6.234 1.00 27.64 O +ATOM 685 CB PHE B 921 -13.581 13.460 -6.274 1.00 26.23 C +ATOM 686 CG PHE B 921 -13.694 12.801 -7.593 1.00 23.46 C +ATOM 687 CD1 PHE B 921 -12.709 12.978 -8.554 1.00 23.91 C +ATOM 688 CD2 PHE B 921 -14.833 12.039 -7.912 1.00 24.44 C +ATOM 689 CE1 PHE B 921 -12.841 12.381 -9.815 1.00 22.78 C +ATOM 690 CE2 PHE B 921 -14.975 11.445 -9.167 1.00 24.16 C +ATOM 691 CZ PHE B 921 -13.974 11.630 -10.125 1.00 23.47 C +ATOM 692 N ASN B 922 -15.331 15.556 -8.187 1.00 27.27 N +ATOM 693 CA ASN B 922 -16.592 15.660 -8.913 1.00 28.50 C +ATOM 694 C ASN B 922 -16.703 14.619 -10.034 1.00 27.95 C +ATOM 695 O ASN B 922 -15.948 14.668 -11.009 1.00 28.22 O +ATOM 696 CB ASN B 922 -16.778 17.092 -9.421 1.00 29.24 C +ATOM 697 CG ASN B 922 -16.670 18.129 -8.291 1.00 32.07 C +ATOM 698 OD1 ASN B 922 -17.262 17.969 -7.212 1.00 35.56 O +ATOM 699 ND2 ASN B 922 -15.912 19.194 -8.537 1.00 34.81 N +ATOM 700 N PRO B 923 -17.627 13.649 -9.880 1.00 27.64 N +ATOM 701 CA PRO B 923 -17.799 12.602 -10.885 1.00 27.57 C +ATOM 702 C PRO B 923 -18.518 13.157 -12.110 1.00 27.59 C +ATOM 703 O PRO B 923 -19.109 14.253 -12.044 1.00 26.79 O +ATOM 704 CB PRO B 923 -18.694 11.593 -10.170 1.00 28.09 C +ATOM 705 CG PRO B 923 -19.535 12.443 -9.283 1.00 27.69 C +ATOM 706 CD PRO B 923 -18.586 13.508 -8.774 1.00 27.56 C +ATOM 707 N ARG B 924 -18.463 12.407 -13.208 1.00 27.80 N +ATOM 708 CA ARG B 924 -19.186 12.761 -14.426 1.00 29.37 C +ATOM 709 C ARG B 924 -20.678 12.666 -14.187 1.00 29.36 C +ATOM 710 O ARG B 924 -21.453 13.441 -14.750 1.00 30.52 O +ATOM 711 CB ARG B 924 -18.770 11.835 -15.574 1.00 28.96 C +ATOM 712 CG ARG B 924 -19.618 11.993 -16.840 1.00 31.85 C +ATOM 713 CD ARG B 924 -18.883 11.528 -18.074 1.00 34.38 C +ATOM 714 NE ARG B 924 -19.627 11.842 -19.296 1.00 37.41 N +ATOM 715 CZ ARG B 924 -19.529 12.992 -19.965 1.00 39.60 C +ATOM 716 NH1 ARG B 924 -18.722 13.959 -19.532 1.00 40.56 N +ATOM 717 NH2 ARG B 924 -20.235 13.178 -21.074 1.00 39.45 N +ATOM 718 N SER B 925 -21.070 11.690 -13.368 1.00 30.58 N +ATOM 719 CA SER B 925 -22.460 11.556 -12.910 1.00 30.09 C +ATOM 720 C SER B 925 -22.516 10.858 -11.540 1.00 30.15 C +ATOM 721 O SER B 925 -21.597 10.147 -11.172 1.00 29.44 O +ATOM 722 CB SER B 925 -23.308 10.786 -13.939 1.00 30.17 C +ATOM 723 OG SER B 925 -22.982 9.400 -13.978 1.00 30.16 O +ATOM 724 N PHE B 926 -23.620 11.059 -10.813 1.00 30.71 N +ATOM 725 CA PHE B 926 -23.835 10.451 -9.494 1.00 31.18 C +ATOM 726 C PHE B 926 -24.494 9.083 -9.577 1.00 32.63 C +ATOM 727 O PHE B 926 -24.400 8.283 -8.640 1.00 32.98 O +ATOM 728 CB PHE B 926 -24.666 11.372 -8.593 1.00 31.33 C +ATOM 729 CG PHE B 926 -23.911 12.571 -8.114 1.00 30.29 C +ATOM 730 CD1 PHE B 926 -24.132 13.817 -8.681 1.00 31.83 C +ATOM 731 CD2 PHE B 926 -22.953 12.452 -7.113 1.00 28.99 C +ATOM 732 CE1 PHE B 926 -23.406 14.926 -8.238 1.00 32.17 C +ATOM 733 CE2 PHE B 926 -22.208 13.558 -6.683 1.00 30.93 C +ATOM 734 CZ PHE B 926 -22.439 14.789 -7.241 1.00 31.37 C +ATOM 735 N SER B 927 -25.177 8.833 -10.694 1.00 33.83 N +ATOM 736 CA SER B 927 -25.771 7.529 -10.991 1.00 35.27 C +ATOM 737 C SER B 927 -24.681 6.477 -11.151 1.00 36.04 C +ATOM 738 O SER B 927 -24.963 5.276 -11.151 1.00 36.29 O +ATOM 739 CB SER B 927 -26.651 7.597 -12.240 1.00 35.10 C +ATOM 740 OG SER B 927 -26.140 8.532 -13.176 1.00 36.13 O +ATOM 741 N GLN B 928 -23.443 6.954 -11.306 1.00 37.24 N +ATOM 742 CA GLN B 928 -22.244 6.161 -11.067 1.00 38.15 C +ATOM 743 C GLN B 928 -22.381 5.553 -9.682 1.00 38.04 C +ATOM 744 O GLN B 928 -22.720 4.380 -9.511 1.00 38.57 O +ATOM 745 CB GLN B 928 -20.992 7.056 -11.084 1.00 38.14 C +ATOM 746 CG GLN B 928 -20.555 7.533 -12.455 1.00 39.02 C +ATOM 747 CD GLN B 928 -19.180 8.193 -12.442 1.00 39.28 C +ATOM 748 OE1 GLN B 928 -18.200 7.629 -11.937 1.00 35.97 O +ATOM 749 NE2 GLN B 928 -19.096 9.385 -13.026 1.00 40.19 N +ATOM 750 OXT GLN B 928 -22.169 6.252 -8.692 1.00 38.10 O Added: SwiftApps/modFTdock/input/4TRA.pdb =================================================================== --- SwiftApps/modFTdock/input/4TRA.pdb (rev 0) +++ SwiftApps/modFTdock/input/4TRA.pdb 2011-04-06 22:57:05 UTC (rev 4300) @@ -0,0 +1,1652 @@ +ATOM 1 OP3 G A 1 23.310 31.674 59.557 0.55 43.73 O +ATOM 2 P G A 1 23.956 32.681 60.656 0.55 44.71 P +ATOM 3 OP1 G A 1 25.382 32.748 60.220 0.55 44.92 O +ATOM 4 OP2 G A 1 23.290 34.019 60.607 0.55 42.38 O +ATOM 5 O5' G A 1 23.713 31.950 62.046 0.86 35.51 O +ATOM 6 C5' G A 1 23.820 32.681 63.290 1.00 33.29 C +ATOM 7 C4' G A 1 23.204 31.787 64.357 1.00 34.35 C +ATOM 8 O4' G A 1 21.841 32.113 64.535 1.00 30.75 O +ATOM 9 C3' G A 1 23.197 30.297 63.985 1.00 35.86 C +ATOM 10 O3' G A 1 24.453 29.684 64.244 1.00 40.42 O +ATOM 11 C2' G A 1 22.058 29.763 64.858 1.00 31.69 C +ATOM 12 O2' G A 1 22.581 29.549 66.183 1.00 28.80 O +ATOM 13 C1' G A 1 21.092 30.921 64.842 1.00 29.94 C +ATOM 14 N9 G A 1 20.026 30.758 63.840 1.00 27.08 N +ATOM 15 C8 G A 1 20.056 31.118 62.515 1.00 28.25 C +ATOM 16 N7 G A 1 18.947 30.859 61.868 1.00 28.56 N +ATOM 17 C5 G A 1 18.127 30.286 62.838 1.00 25.31 C +ATOM 18 C6 G A 1 16.802 29.785 62.773 1.00 26.75 C +ATOM 19 O6 G A 1 16.065 29.757 61.787 1.00 25.45 O +ATOM 20 N1 G A 1 16.322 29.291 63.953 1.00 25.73 N +ATOM 21 C2 G A 1 17.065 29.279 65.101 1.00 25.07 C +ATOM 22 N2 G A 1 16.455 28.762 66.167 1.00 26.29 N +ATOM 23 N3 G A 1 18.314 29.729 65.214 1.00 23.17 N +ATOM 24 C4 G A 1 18.780 30.218 64.050 1.00 23.19 C +ATOM 25 P C A 2 25.056 28.470 63.387 1.00 49.37 P +ATOM 26 OP1 C A 2 26.485 28.740 63.000 1.00 43.76 O +ATOM 27 OP2 C A 2 24.150 28.397 62.208 1.00 44.42 O +ATOM 28 O5' C A 2 24.952 27.239 64.406 1.00 39.87 O +ATOM 29 C5' C A 2 24.243 26.058 63.953 1.00 37.41 C +ATOM 30 C4' C A 2 23.111 25.799 64.923 1.00 37.41 C +ATOM 31 O4' C A 2 22.158 26.851 64.939 1.00 36.47 O +ATOM 32 C3' C A 2 22.288 24.557 64.535 1.00 37.29 C +ATOM 33 O3' C A 2 22.974 23.343 64.890 1.00 40.61 O +ATOM 34 C2' C A 2 20.982 24.821 65.262 1.00 36.80 C +ATOM 35 O2' C A 2 21.178 24.461 66.636 1.00 39.77 O +ATOM 36 C1' C A 2 20.849 26.311 65.149 1.00 35.09 C +ATOM 37 N1 C A 2 19.989 26.631 63.985 1.00 32.55 N +ATOM 38 C2 C A 2 18.823 25.912 63.808 1.00 31.22 C +ATOM 39 O2 C A 2 18.490 25.024 64.583 1.00 29.90 O +ATOM 40 N3 C A 2 18.047 26.215 62.725 1.00 30.98 N +ATOM 41 C4 C A 2 18.394 27.188 61.836 1.00 30.39 C +ATOM 42 N4 C A 2 17.594 27.441 60.801 1.00 29.45 N +ATOM 43 C5 C A 2 19.596 27.924 62.030 1.00 30.32 C +ATOM 44 C6 C A 2 20.342 27.610 63.096 1.00 30.25 C +ATOM 45 P G A 3 23.497 22.443 63.630 1.00 48.40 P +ATOM 46 OP1 G A 3 24.793 21.774 63.953 1.00 40.08 O +ATOM 47 OP2 G A 3 23.587 23.444 62.531 1.00 39.94 O +ATOM 48 O5' G A 3 22.301 21.381 63.484 1.00 37.08 O +ATOM 49 C5' G A 3 21.642 21.077 64.729 1.00 35.89 C +ATOM 50 C4' G A 3 20.216 20.672 64.438 1.00 37.55 C +ATOM 51 O4' G A 3 19.406 21.813 64.163 1.00 33.08 O +ATOM 52 C3' G A 3 20.056 19.784 63.193 1.00 35.85 C +ATOM 53 O3' G A 3 20.386 18.429 63.468 1.00 36.61 O +ATOM 54 C2' G A 3 18.597 20.014 62.822 1.00 33.59 C +ATOM 55 O2' G A 3 17.814 19.177 63.662 1.00 32.67 O +ATOM 56 C1' G A 3 18.400 21.482 63.193 1.00 32.42 C +ATOM 57 N9 G A 3 18.470 22.319 61.981 1.00 32.53 N +ATOM 58 C8 G A 3 19.446 23.180 61.561 1.00 32.25 C +ATOM 59 N7 G A 3 19.177 23.775 60.430 1.00 30.37 N +ATOM 60 C5 G A 3 17.927 23.275 60.074 1.00 29.28 C +ATOM 61 C6 G A 3 17.095 23.534 58.959 1.00 29.92 C +ATOM 62 O6 G A 3 17.308 24.293 58.005 1.00 28.16 O +ATOM 63 N1 G A 3 15.912 22.837 58.959 1.00 30.27 N +ATOM 64 C2 G A 3 15.579 21.971 59.961 1.00 33.02 C +ATOM 65 N2 G A 3 14.390 21.369 59.799 1.00 35.92 N +ATOM 66 N3 G A 3 16.319 21.690 61.028 1.00 28.38 N +ATOM 67 C4 G A 3 17.478 22.381 61.028 1.00 30.04 C +ATOM 68 P G A 4 21.215 17.513 62.450 1.00 47.69 P +ATOM 69 OP1 G A 4 22.161 16.596 63.177 1.00 46.13 O +ATOM 70 OP2 G A 4 21.925 18.474 61.561 1.00 43.36 O +ATOM 71 O5' G A 4 20.059 16.681 61.723 1.00 37.46 O +ATOM 72 C5' G A 4 20.173 16.534 60.284 1.00 31.08 C +ATOM 73 C4' G A 4 18.767 16.534 59.719 1.00 25.17 C +ATOM 74 O4' G A 4 18.144 17.788 59.929 1.00 22.23 O +ATOM 75 C3' G A 4 18.707 16.321 58.215 1.00 25.88 C +ATOM 76 O3' G A 4 18.850 14.949 57.828 1.00 27.06 O +ATOM 77 C2' G A 4 17.348 16.917 57.860 1.00 26.15 C +ATOM 78 O2' G A 4 16.378 15.916 58.167 1.00 27.28 O +ATOM 79 C1' G A 4 17.278 18.075 58.846 1.00 23.13 C +ATOM 80 N9 G A 4 17.694 19.289 58.119 1.00 19.06 N +ATOM 81 C8 G A 4 18.750 20.115 58.393 1.00 19.00 C +ATOM 82 N7 G A 4 18.873 21.111 57.553 1.00 17.81 N +ATOM 83 C5 G A 4 17.817 20.925 56.664 1.00 18.66 C +ATOM 84 C6 G A 4 17.408 21.678 55.516 1.00 20.16 C +ATOM 85 O6 G A 4 17.927 22.702 55.064 1.00 19.43 O +ATOM 86 N1 G A 4 16.305 21.172 54.886 1.00 18.14 N +ATOM 87 C2 G A 4 15.666 20.048 55.306 1.00 17.90 C +ATOM 88 N2 G A 4 14.603 19.694 54.579 1.00 19.56 N +ATOM 89 N3 G A 4 16.005 19.312 56.357 1.00 16.17 N +ATOM 90 C4 G A 4 17.088 19.806 56.987 1.00 16.65 C +ATOM 91 P A A 5 20.089 14.640 56.809 1.00 28.41 P +ATOM 92 OP1 A A 5 20.439 13.184 56.906 1.00 32.32 O +ATOM 93 OP2 A A 5 21.169 15.505 57.343 1.00 26.68 O +ATOM 94 O5' A A 5 19.526 15.016 55.371 1.00 16.70 O +ATOM 95 C5' A A 5 18.627 14.066 54.724 1.00 16.63 C +ATOM 96 C4' A A 5 17.628 14.887 53.949 1.00 16.22 C +ATOM 97 O4' A A 5 17.358 16.090 54.644 1.00 17.33 O +ATOM 98 C3' A A 5 18.124 15.337 52.575 1.00 17.89 C +ATOM 99 O3' A A 5 18.011 14.330 51.573 1.00 15.55 O +ATOM 100 C2' A A 5 17.248 16.562 52.300 1.00 13.53 C +ATOM 101 O2' A A 5 16.005 16.073 51.815 1.00 11.51 O +ATOM 102 C1' A A 5 17.131 17.130 53.690 1.00 14.94 C +ATOM 103 N9 A A 5 18.161 18.170 53.836 1.00 14.40 N +ATOM 104 C8 A A 5 19.193 18.181 54.757 1.00 11.88 C +ATOM 105 N7 A A 5 19.963 19.233 54.660 1.00 12.69 N +ATOM 106 C5 A A 5 19.400 19.958 53.609 1.00 13.64 C +ATOM 107 C6 A A 5 19.770 21.195 53.028 1.00 17.30 C +ATOM 108 N6 A A 5 20.812 21.909 53.415 1.00 15.64 N +ATOM 109 N1 A A 5 18.967 21.605 51.993 1.00 18.26 N +ATOM 110 C2 A A 5 17.894 20.875 51.589 1.00 17.81 C +ATOM 111 N3 A A 5 17.491 19.705 52.090 1.00 14.01 N +ATOM 112 C4 A A 5 18.291 19.312 53.108 1.00 12.30 C +ATOM 113 P U A 6 19.410 13.853 50.910 1.00 17.85 P +ATOM 114 OP1 U A 6 19.257 12.441 50.425 1.00 23.85 O +ATOM 115 OP2 U A 6 20.412 14.027 51.993 1.00 8.17 O +ATOM 116 O5' U A 6 19.583 14.865 49.682 1.00 6.78 O +ATOM 117 C5' U A 6 18.500 14.893 48.728 1.00 5.01 C +ATOM 118 C4' U A 6 18.600 16.219 48.001 1.00 6.97 C +ATOM 119 O4' U A 6 18.487 17.299 48.922 1.00 7.21 O +ATOM 120 C3' U A 6 19.939 16.444 47.306 1.00 8.35 C +ATOM 121 O3' U A 6 20.003 15.753 46.062 1.00 6.95 O +ATOM 122 C2' U A 6 19.979 17.962 47.193 1.00 1.29 C +ATOM 123 O2' U A 6 19.200 18.305 46.062 1.00 1.41 O +ATOM 124 C1' U A 6 19.303 18.401 48.486 1.00 2.21 C +ATOM 125 N1 U A 6 20.302 18.778 49.504 1.00 1.08 N +ATOM 126 C2 U A 6 21.115 19.862 49.197 1.00 2.33 C +ATOM 127 O2 U A 6 20.999 20.470 48.130 1.00 0.00 O +ATOM 128 N3 U A 6 22.051 20.234 50.118 1.00 0.00 N +ATOM 129 C4 U A 6 22.201 19.581 51.298 1.00 0.00 C +ATOM 130 O4 U A 6 23.094 20.003 52.090 1.00 1.46 O +ATOM 131 C5 U A 6 21.355 18.468 51.605 1.00 2.95 C +ATOM 132 C6 U A 6 20.442 18.114 50.684 1.00 0.36 C +ATOM 133 P U A 7 21.388 15.078 45.577 1.00 8.92 P +ATOM 134 OP1 U A 7 21.145 14.027 44.542 1.00 13.89 O +ATOM 135 OP2 U A 7 21.998 14.550 46.821 1.00 12.32 O +ATOM 136 O5' U A 7 22.125 16.360 44.946 1.00 15.19 O +ATOM 137 C5' U A 7 21.368 17.018 43.896 1.00 10.20 C +ATOM 138 C4' U A 7 22.038 18.328 43.557 1.00 3.40 C +ATOM 139 O4' U A 7 22.174 19.126 44.736 1.00 3.48 O +ATOM 140 C3' U A 7 23.470 18.181 42.991 1.00 0.00 C +ATOM 141 O3' U A 7 23.693 19.160 41.940 1.00 3.91 O +ATOM 142 C2' U A 7 24.336 18.440 44.203 1.00 0.00 C +ATOM 143 O2' U A 7 25.595 18.896 43.815 1.00 0.00 O +ATOM 144 C1' U A 7 23.547 19.486 44.946 1.00 0.00 C +ATOM 145 N1 U A 7 23.937 19.486 46.353 1.00 0.00 N +ATOM 146 C2 U A 7 24.699 20.543 46.821 1.00 0.00 C +ATOM 147 O2 U A 7 25.036 21.448 46.062 1.00 0.00 O +ATOM 148 N3 U A 7 25.056 20.543 48.130 1.00 0.00 N +ATOM 149 C4 U A 7 24.689 19.548 48.987 1.00 0.00 C +ATOM 150 O4 U A 7 25.059 19.615 50.199 1.00 0.00 O +ATOM 151 C5 U A 7 23.903 18.463 48.502 1.00 4.66 C +ATOM 152 C6 U A 7 23.560 18.479 47.193 1.00 1.45 C +ATOM 153 P U A 8 23.384 18.637 40.437 1.00 6.43 P +ATOM 154 OP1 U A 8 23.787 19.683 39.435 1.00 10.99 O +ATOM 155 OP2 U A 8 21.938 18.333 40.502 1.00 10.90 O +ATOM 156 O5' U A 8 24.333 17.355 40.292 1.00 6.66 O +ATOM 157 C5' U A 8 25.705 17.591 39.872 1.00 3.30 C +ATOM 158 C4' U A 8 26.118 16.439 38.999 1.00 0.00 C +ATOM 159 O4' U A 8 25.945 15.224 39.710 1.00 0.00 O +ATOM 160 C3' U A 8 25.286 16.264 37.738 1.00 0.00 C +ATOM 161 O3' U A 8 25.662 17.102 36.639 1.00 0.00 O +ATOM 162 C2' U A 8 25.519 14.780 37.431 1.00 0.00 C +ATOM 163 O2' U A 8 26.795 14.730 36.801 1.00 0.00 O +ATOM 164 C1' U A 8 25.572 14.184 38.805 1.00 0.00 C +ATOM 165 N1 U A 8 24.240 13.673 39.177 1.00 0.25 N +ATOM 166 C2 U A 8 23.733 12.576 38.498 1.00 0.00 C +ATOM 167 O2 U A 8 24.380 12.031 37.609 1.00 0.53 O +ATOM 168 N3 U A 8 22.498 12.127 38.870 1.00 0.00 N +ATOM 169 C4 U A 8 21.765 12.717 39.855 1.00 2.78 C +ATOM 170 O4 U A 8 20.622 12.228 40.114 1.00 1.19 O +ATOM 171 C5 U A 8 22.298 13.853 40.534 1.00 0.41 C +ATOM 172 C6 U A 8 23.514 14.280 40.163 1.00 0.00 C +ATOM 173 P A A 9 24.553 17.681 35.621 1.00 0.00 P +ATOM 174 OP1 A A 9 24.400 19.165 35.815 1.00 12.98 O +ATOM 175 OP2 A A 9 23.317 16.950 35.977 1.00 6.30 O +ATOM 176 O5' A A 9 25.092 17.361 34.167 1.00 0.00 O +ATOM 177 C5' A A 9 26.245 18.092 33.649 1.00 3.31 C +ATOM 178 C4' A A 9 25.962 18.198 32.162 1.00 4.34 C +ATOM 179 O4' A A 9 25.992 16.894 31.597 1.00 6.42 O +ATOM 180 C3' A A 9 24.583 18.789 31.855 1.00 6.32 C +ATOM 181 O3' A A 9 24.616 19.576 30.643 1.00 10.36 O +ATOM 182 C2' A A 9 23.743 17.546 31.645 1.00 3.67 C +ATOM 183 O2' A A 9 22.611 17.799 30.869 1.00 7.65 O +ATOM 184 C1' A A 9 24.739 16.619 30.966 1.00 2.02 C +ATOM 185 N9 A A 9 24.223 15.247 31.128 1.00 0.81 N +ATOM 186 C8 A A 9 23.204 14.814 31.936 1.00 1.30 C +ATOM 187 N7 A A 9 22.961 13.532 31.839 1.00 2.89 N +ATOM 188 C5 A A 9 23.877 13.088 30.886 1.00 3.22 C +ATOM 189 C6 A A 9 24.120 11.806 30.352 1.00 1.42 C +ATOM 190 N6 A A 9 23.454 10.715 30.692 1.00 0.00 N +ATOM 191 N1 A A 9 25.122 11.750 29.415 1.00 5.85 N +ATOM 192 C2 A A 9 25.825 12.858 29.059 1.00 5.07 C +ATOM 193 N3 A A 9 25.649 14.094 29.528 1.00 5.13 N +ATOM 194 C4 A A 9 24.656 14.139 30.449 1.00 5.09 C +ATOM 195 P G A 10 25.129 21.094 30.562 1.00 9.42 P +ATOM 196 OP1 G A 10 25.615 21.420 29.172 1.00 0.00 O +ATOM 197 OP2 G A 10 26.212 21.150 31.580 1.00 8.19 O +ATOM 198 O5' G A 10 23.873 22.004 30.934 1.00 7.35 O +ATOM 199 C5' G A 10 23.823 23.343 30.320 1.00 13.13 C +ATOM 200 C4' G A 10 22.401 23.517 29.835 1.00 7.32 C +ATOM 201 O4' G A 10 22.244 22.960 28.558 1.00 3.56 O +ATOM 202 C3' G A 10 21.385 22.786 30.724 1.00 2.05 C +ATOM 203 O3' G A 10 21.085 23.534 31.872 1.00 0.00 O +ATOM 204 C2' G A 10 20.216 22.612 29.754 1.00 7.47 C +ATOM 205 O2' G A 10 19.506 23.843 29.770 1.00 12.40 O +ATOM 206 C1' G A 10 20.929 22.387 28.445 1.00 9.59 C +ATOM 207 N9 G A 10 21.072 20.959 28.122 1.00 12.51 N +ATOM 208 C8 G A 10 22.258 20.301 27.863 1.00 10.30 C +ATOM 209 N7 G A 10 22.108 19.031 27.605 1.00 11.42 N +ATOM 210 C5 G A 10 20.732 18.834 27.685 1.00 13.46 C +ATOM 211 C6 G A 10 19.936 17.670 27.508 1.00 15.52 C +ATOM 212 O6 G A 10 20.339 16.534 27.233 1.00 12.63 O +ATOM 213 N1 G A 10 18.590 17.861 27.685 1.00 16.10 N +ATOM 214 C2 G A 10 18.074 19.081 27.993 1.00 16.77 C +ATOM 215 N2 G A 10 16.738 19.160 28.138 1.00 12.38 N +ATOM 216 CM2 G A 10 16.382 20.543 28.461 1.00 11.08 C +ATOM 217 N3 G A 10 18.767 20.211 28.170 1.00 14.81 N +ATOM 218 C4 G A 10 20.089 20.009 28.009 1.00 11.85 C +ATOM 219 P C A 11 20.382 23.106 33.229 1.00 4.01 P +ATOM 220 OP1 C A 11 20.229 24.259 34.199 1.00 1.00 O +ATOM 221 OP2 C A 11 21.252 22.055 33.827 1.00 7.38 O +ATOM 222 O5' C A 11 18.950 22.640 32.728 1.00 6.52 O +ATOM 223 C5' C A 11 17.847 23.590 32.906 1.00 11.92 C +ATOM 224 C4' C A 11 16.622 22.702 32.857 1.00 6.89 C +ATOM 225 O4' C A 11 16.638 21.959 31.661 1.00 11.16 O +ATOM 226 C3' C A 11 16.582 21.667 33.972 1.00 5.09 C +ATOM 227 O3' C A 11 16.095 22.241 35.168 1.00 6.14 O +ATOM 228 C2' C A 11 15.689 20.599 33.342 1.00 11.39 C +ATOM 229 O2' C A 11 14.340 21.026 33.520 1.00 16.75 O +ATOM 230 C1' C A 11 16.082 20.655 31.888 1.00 10.47 C +ATOM 231 N1 C A 11 17.088 19.638 31.548 1.00 13.53 N +ATOM 232 C2 C A 11 16.632 18.356 31.306 1.00 16.96 C +ATOM 233 O2 C A 11 15.432 18.086 31.419 1.00 14.24 O +ATOM 234 N3 C A 11 17.554 17.406 30.966 1.00 20.48 N +ATOM 235 C4 C A 11 18.883 17.692 30.853 1.00 16.84 C +ATOM 236 N4 C A 11 19.723 16.709 30.530 1.00 14.05 N +ATOM 237 C5 C A 11 19.340 19.014 31.096 1.00 13.92 C +ATOM 238 C6 C A 11 18.417 19.936 31.419 1.00 13.87 C +ATOM 239 P U A 12 15.822 21.420 36.510 1.00 6.00 P +ATOM 240 OP1 U A 12 14.950 22.162 37.480 1.00 11.43 O +ATOM 241 OP2 U A 12 17.191 21.223 37.060 1.00 6.75 O +ATOM 242 O5' U A 12 15.089 20.093 36.025 1.00 6.44 O +ATOM 243 C5' U A 12 13.660 19.952 36.203 1.00 6.76 C +ATOM 244 C4' U A 12 13.377 18.468 36.268 1.00 7.30 C +ATOM 245 O4' U A 12 13.834 17.844 35.088 1.00 6.64 O +ATOM 246 C3' U A 12 14.107 17.732 37.383 1.00 4.70 C +ATOM 247 O3' U A 12 13.444 17.839 38.643 1.00 3.80 O +ATOM 248 C2' U A 12 14.130 16.298 36.849 1.00 7.59 C +ATOM 249 O2' U A 12 12.848 15.759 37.156 1.00 7.28 O +ATOM 250 C1' U A 12 14.310 16.512 35.379 1.00 13.71 C +ATOM 251 N1 U A 12 15.719 16.388 34.958 1.00 20.72 N +ATOM 252 C2 U A 12 16.122 15.157 34.457 1.00 18.94 C +ATOM 253 O2 U A 12 15.336 14.218 34.377 1.00 15.19 O +ATOM 254 N3 U A 12 17.421 15.033 34.053 1.00 19.01 N +ATOM 255 C4 U A 12 18.314 16.062 34.134 1.00 17.34 C +ATOM 256 O4 U A 12 19.493 15.837 33.730 1.00 21.87 O +ATOM 257 C5 U A 12 17.881 17.316 34.651 1.00 17.38 C +ATOM 258 C6 U A 12 16.605 17.428 35.039 1.00 18.19 C +ATOM 259 P C A 13 14.033 17.068 39.904 1.00 2.89 P +ATOM 260 OP1 C A 13 13.114 17.147 41.084 1.00 3.98 O +ATOM 261 OP2 C A 13 15.346 17.737 40.130 1.00 5.42 O +ATOM 262 O5' C A 13 14.187 15.567 39.387 1.00 4.80 O +ATOM 263 C5' C A 13 15.016 14.713 40.211 1.00 2.46 C +ATOM 264 C4' C A 13 15.233 13.437 39.419 1.00 1.93 C +ATOM 265 O4' C A 13 15.729 13.718 38.126 1.00 0.00 O +ATOM 266 C3' C A 13 16.282 12.520 40.049 1.00 3.55 C +ATOM 267 O3' C A 13 15.736 11.773 41.132 1.00 1.36 O +ATOM 268 C2' C A 13 16.722 11.671 38.853 1.00 3.74 C +ATOM 269 O2' C A 13 15.749 10.642 38.724 1.00 8.08 O +ATOM 270 C1' C A 13 16.645 12.678 37.722 1.00 3.48 C +ATOM 271 N1 C A 13 17.961 13.257 37.415 1.00 4.60 N +ATOM 272 C2 C A 13 18.813 12.481 36.639 1.00 5.47 C +ATOM 273 O2 C A 13 18.480 11.356 36.268 1.00 3.94 O +ATOM 274 N3 C A 13 20.033 13.004 36.316 1.00 10.84 N +ATOM 275 C4 C A 13 20.419 14.246 36.736 1.00 8.88 C +ATOM 276 N4 C A 13 21.625 14.696 36.381 1.00 4.12 N +ATOM 277 C5 C A 13 19.530 15.033 37.512 1.00 9.81 C +ATOM 278 C6 C A 13 18.334 14.505 37.819 1.00 7.86 C +ATOM 279 P A A 14 16.652 10.912 42.134 1.00 0.00 P +ATOM 280 OP1 A A 14 15.885 10.462 43.330 1.00 11.31 O +ATOM 281 OP2 A A 14 17.701 11.891 42.522 1.00 7.15 O +ATOM 282 O5' A A 14 17.061 9.704 41.181 1.00 3.36 O +ATOM 283 C5' A A 14 17.574 8.478 41.730 1.00 6.69 C +ATOM 284 C4' A A 14 17.724 7.466 40.615 1.00 5.08 C +ATOM 285 O4' A A 14 18.057 8.051 39.371 1.00 0.00 O +ATOM 286 C3' A A 14 18.877 6.482 40.874 1.00 2.72 C +ATOM 287 O3' A A 14 18.534 5.481 41.843 1.00 1.71 O +ATOM 288 C2' A A 14 19.157 5.965 39.484 1.00 7.69 C +ATOM 289 O2' A A 14 18.154 4.970 39.225 1.00 6.46 O +ATOM 290 C1' A A 14 18.927 7.185 38.643 1.00 0.00 C +ATOM 291 N9 A A 14 20.216 7.859 38.385 1.00 0.33 N +ATOM 292 C8 A A 14 20.559 9.141 38.757 1.00 3.70 C +ATOM 293 N7 A A 14 21.771 9.495 38.385 1.00 1.53 N +ATOM 294 C5 A A 14 22.258 8.366 37.754 1.00 0.00 C +ATOM 295 C6 A A 14 23.510 8.118 37.140 1.00 4.25 C +ATOM 296 N6 A A 14 24.503 8.995 37.076 1.00 4.25 N +ATOM 297 N1 A A 14 23.647 6.870 36.591 1.00 1.32 N +ATOM 298 C2 A A 14 22.634 5.965 36.639 1.00 0.64 C +ATOM 299 N3 A A 14 21.442 6.139 37.205 1.00 0.00 N +ATOM 300 C4 A A 14 21.318 7.365 37.738 1.00 0.00 C +ATOM 301 P G A 15 19.456 5.605 43.185 1.00 1.67 P +ATOM 302 OP1 G A 15 18.750 5.049 44.365 1.00 17.45 O +ATOM 303 OP2 G A 15 19.756 7.050 43.266 1.00 9.28 O +ATOM 304 O5' G A 15 20.719 4.722 42.765 1.00 10.27 O +ATOM 305 C5' G A 15 20.689 4.188 41.423 1.00 7.86 C +ATOM 306 C4' G A 15 22.128 4.127 40.954 1.00 6.80 C +ATOM 307 O4' G A 15 22.331 5.127 39.952 1.00 10.07 O +ATOM 308 C3' G A 15 23.187 4.419 41.989 1.00 2.79 C +ATOM 309 O3' G A 15 23.544 3.317 42.846 0.90 9.63 O +ATOM 310 C2' G A 15 24.356 4.852 41.116 1.00 6.46 C +ATOM 311 O2' G A 15 24.956 3.654 40.647 1.00 6.00 O +ATOM 312 C1' G A 15 23.657 5.611 40.017 1.00 9.74 C +ATOM 313 N9 G A 15 23.780 7.028 40.389 1.00 12.21 N +ATOM 314 C8 G A 15 22.894 7.781 41.116 1.00 14.58 C +ATOM 315 N7 G A 15 23.287 9.018 41.310 1.00 16.29 N +ATOM 316 C5 G A 15 24.520 9.080 40.664 1.00 15.66 C +ATOM 317 C6 G A 15 25.449 10.148 40.518 1.00 16.84 C +ATOM 318 O6 G A 15 25.336 11.300 40.954 1.00 14.57 O +ATOM 319 N1 G A 15 26.575 9.816 39.791 1.00 14.07 N +ATOM 320 C2 G A 15 26.771 8.568 39.290 1.00 11.60 C +ATOM 321 N2 G A 15 27.917 8.399 38.611 1.00 15.41 N +ATOM 322 N3 G A 15 25.938 7.539 39.403 1.00 9.72 N +ATOM 323 C4 G A 15 24.833 7.865 40.098 1.00 12.76 C +ATOM 324 P U A 16 24.193 3.778 44.268 0.90 13.88 P +ATOM 325 OP1 U A 16 23.147 4.318 45.189 0.90 12.56 O +ATOM 326 OP2 U A 16 25.156 4.829 43.847 0.90 15.63 O +ATOM 327 O5' U A 16 24.853 2.457 44.849 0.90 22.09 O +ATOM 328 C5' U A 16 24.090 1.226 44.898 0.76 25.26 C +ATOM 329 C4' U A 16 24.723 0.399 46.013 0.76 29.19 C +ATOM 330 O4' U A 16 24.126 0.759 47.242 0.76 29.89 O +ATOM 331 C3' U A 16 24.526 -1.113 45.835 0.76 31.53 C +ATOM 332 O3' U A 16 25.715 -1.838 46.256 0.69 29.35 O +ATOM 333 C1' U A 16 23.560 -0.416 47.872 0.76 32.84 C +ATOM 334 C2' U A 16 23.327 -1.377 46.724 0.76 31.38 C +ATOM 335 O2' U A 16 23.304 -2.727 47.112 0.76 34.76 O +ATOM 336 N1 U A 16 22.344 -0.039 48.583 0.61 37.16 N +ATOM 337 C2 U A 16 22.504 0.663 49.730 0.61 41.18 C +ATOM 338 O2 U A 16 23.573 1.006 50.199 0.61 43.75 O +ATOM 339 N3 U A 16 21.332 1.006 50.393 0.61 42.30 N +ATOM 340 C4 U A 16 20.059 0.708 50.005 0.61 42.03 C +ATOM 341 O4 U A 16 19.103 1.074 50.684 0.61 43.82 O +ATOM 342 C5 U A 16 19.933 -0.062 48.745 0.61 40.18 C +ATOM 343 C6 U A 16 21.169 -0.905 48.486 0.61 38.03 C +ATOM 344 P U A 17 26.761 -2.254 45.092 0.69 28.84 P +ATOM 345 OP1 U A 17 27.298 -1.035 44.397 0.69 34.24 O +ATOM 346 OP2 U A 17 25.912 -3.036 44.155 0.69 26.72 O +ATOM 347 O5' U A 17 27.924 -3.064 45.787 0.57 26.88 O +ATOM 348 C5' U A 17 28.440 -2.833 47.112 0.57 23.53 C +ATOM 349 C4' U A 17 29.932 -2.541 46.999 0.57 19.51 C +ATOM 350 O4' U A 17 30.649 -3.739 46.741 0.57 20.05 O +ATOM 351 C3' U A 17 30.295 -1.580 45.852 0.57 15.39 C +ATOM 352 O3' U A 17 31.395 -0.737 46.256 1.00 10.60 O +ATOM 353 C1' U A 17 31.421 -3.615 45.528 0.57 16.72 C +ATOM 354 C2' U A 17 30.729 -2.524 44.753 0.57 14.10 C +ATOM 355 O2' U A 17 31.561 -1.878 43.831 0.57 12.70 O +ATOM 356 N1 U A 17 31.468 -4.897 44.833 0.96 11.89 N +ATOM 357 C2 U A 17 30.808 -5.037 43.670 0.96 15.22 C +ATOM 358 O2 U A 17 29.949 -4.284 43.250 0.96 22.01 O +ATOM 359 N3 U A 17 31.025 -6.229 42.991 0.96 17.46 N +ATOM 360 C4 U A 17 31.931 -7.191 43.314 0.96 20.71 C +ATOM 361 O4 U A 17 32.021 -8.197 42.619 0.96 24.03 O +ATOM 362 C5 U A 17 32.767 -6.926 44.510 0.96 22.14 C +ATOM 363 C6 U A 17 32.021 -6.066 45.512 0.96 17.90 C +ATOM 364 P G A 18 31.381 0.140 47.581 1.00 6.79 P +ATOM 365 OP1 G A 18 31.721 -0.646 48.809 1.00 9.37 O +ATOM 366 OP2 G A 18 29.986 0.663 47.629 1.00 12.80 O +ATOM 367 O5' G A 18 32.494 1.254 47.274 1.00 3.89 O +ATOM 368 C5' G A 18 32.161 2.237 46.256 1.00 6.76 C +ATOM 369 C4' G A 18 33.297 2.187 45.237 1.00 5.75 C +ATOM 370 O4' G A 18 34.373 2.963 45.755 1.00 6.67 O +ATOM 371 C3' G A 18 33.836 0.787 44.979 1.00 0.00 C +ATOM 372 O3' G A 18 34.366 0.618 43.654 1.00 0.00 O +ATOM 373 C2' G A 18 35.029 0.725 45.916 1.00 0.00 C +ATOM 374 O2' G A 18 35.898 -0.270 45.464 1.00 2.08 O +ATOM 375 C1' G A 18 35.538 2.142 45.835 1.00 0.00 C +ATOM 376 N9 G A 18 36.401 2.412 46.999 1.00 0.00 N +ATOM 377 C8 G A 18 36.384 1.872 48.244 1.00 0.00 C +ATOM 378 N7 G A 18 37.320 2.333 49.035 1.00 0.00 N +ATOM 379 C5 G A 18 38.010 3.250 48.244 1.00 0.00 C +ATOM 380 C6 G A 18 39.129 4.082 48.518 1.00 0.00 C +ATOM 381 O6 G A 18 39.756 4.166 49.569 1.00 1.20 O +ATOM 382 N1 G A 18 39.529 4.857 47.452 1.00 0.00 N +ATOM 383 C2 G A 18 38.903 4.829 46.256 1.00 0.00 C +ATOM 384 N2 G A 18 39.406 5.644 45.318 1.00 0.00 N +ATOM 385 N3 G A 18 37.854 4.070 45.949 1.00 0.38 N +ATOM 386 C4 G A 18 37.457 3.306 46.983 1.00 3.99 C +ATOM 387 P G A 19 33.790 0.748 42.183 1.00 0.00 P +ATOM 388 OP1 G A 19 32.687 1.743 42.070 1.00 1.97 O +ATOM 389 OP2 G A 19 33.247 -0.613 41.908 1.00 1.44 O +ATOM 390 O5' G A 19 35.072 1.130 41.310 1.00 0.00 O +ATOM 391 C5' G A 19 35.129 2.209 40.373 1.00 0.00 C +ATOM 392 C4' G A 19 36.364 2.080 39.500 1.00 0.00 C +ATOM 393 O4' G A 19 37.427 1.495 40.227 1.00 8.34 O +ATOM 394 C3' G A 19 36.181 1.158 38.272 1.00 0.00 C +ATOM 395 O3' G A 19 36.901 1.709 37.156 1.00 1.83 O +ATOM 396 C2' G A 19 36.784 -0.163 38.757 1.00 0.00 C +ATOM 397 O2' G A 19 37.114 -0.905 37.609 1.00 2.96 O +ATOM 398 C1' G A 19 37.917 0.281 39.581 1.00 0.00 C +ATOM 399 N9 G A 19 38.300 -0.568 40.712 1.00 0.00 N +ATOM 400 C8 G A 19 37.504 -1.451 41.391 1.00 0.00 C +ATOM 401 N7 G A 19 38.110 -2.052 42.377 1.00 0.00 N +ATOM 402 C5 G A 19 39.399 -1.529 42.361 1.00 0.00 C +ATOM 403 C6 G A 19 40.532 -1.777 43.169 1.00 0.00 C +ATOM 404 O6 G A 19 40.621 -2.558 44.122 1.00 0.00 O +ATOM 405 N1 G A 19 41.644 -1.051 42.829 1.00 1.20 N +ATOM 406 C2 G A 19 41.658 -0.163 41.795 1.00 0.99 C +ATOM 407 N2 G A 19 42.820 0.467 41.585 1.00 0.00 N +ATOM 408 N3 G A 19 40.618 0.107 40.987 1.00 5.20 N +ATOM 409 C4 G A 19 39.526 -0.607 41.326 1.00 1.71 C +ATOM 410 P G A 20 36.408 3.115 36.526 1.00 2.55 P +ATOM 411 OP1 G A 20 37.547 3.918 35.960 1.00 1.87 O +ATOM 412 OP2 G A 20 35.755 3.806 37.658 1.00 0.00 O +ATOM 413 O5' G A 20 35.452 2.659 35.346 1.00 0.00 O +ATOM 414 C5' G A 20 36.095 2.530 34.037 1.00 0.00 C +ATOM 415 C4' G A 20 34.942 2.254 33.100 1.00 0.00 C +ATOM 416 O4' G A 20 34.076 1.310 33.698 1.00 0.00 O +ATOM 417 C3' G A 20 34.073 3.469 32.809 1.00 0.00 C +ATOM 418 O3' G A 20 34.629 4.329 31.807 1.00 1.61 O +ATOM 419 C2' G A 20 32.757 2.805 32.405 1.00 0.01 C +ATOM 420 O2' G A 20 32.874 2.412 31.047 1.00 4.44 O +ATOM 421 C1' G A 20 32.737 1.597 33.326 1.00 0.00 C +ATOM 422 N9 G A 20 31.894 1.923 34.490 1.00 0.00 N +ATOM 423 C8 G A 20 32.134 1.720 35.815 1.00 0.00 C +ATOM 424 N7 G A 20 31.168 2.136 36.607 1.00 0.00 N +ATOM 425 C5 G A 20 30.219 2.642 35.718 1.00 2.19 C +ATOM 426 C6 G A 20 28.946 3.238 35.928 1.00 0.00 C +ATOM 427 O6 G A 20 28.377 3.441 37.011 1.00 0.00 O +ATOM 428 N1 G A 20 28.297 3.621 34.781 1.00 0.00 N +ATOM 429 C2 G A 20 28.837 3.446 33.552 1.00 0.60 C +ATOM 430 N2 G A 20 28.084 3.874 32.518 1.00 0.15 N +ATOM 431 N3 G A 20 30.022 2.895 33.294 1.00 0.00 N +ATOM 432 C4 G A 20 30.655 2.519 34.425 1.00 0.00 C +ATOM 433 P A A 21 35.508 5.605 32.276 1.00 0.00 P +ATOM 434 OP1 A A 21 36.168 6.268 31.112 1.00 0.00 O +ATOM 435 OP2 A A 21 36.508 4.976 33.197 1.00 2.01 O +ATOM 436 O5' A A 21 34.479 6.555 33.019 1.00 0.00 O +ATOM 437 C5' A A 21 33.500 7.326 32.308 1.00 0.00 C +ATOM 438 C4' A A 21 32.154 7.162 32.971 1.00 1.08 C +ATOM 439 O4' A A 21 32.064 7.933 34.150 1.00 2.40 O +ATOM 440 C3' A A 21 30.985 7.652 32.098 1.00 0.00 C +ATOM 441 O3' A A 21 30.609 6.690 31.144 1.00 5.12 O +ATOM 442 C2' A A 21 29.902 7.916 33.148 1.00 0.00 C +ATOM 443 O2' A A 21 29.316 6.651 33.423 1.00 0.54 O +ATOM 444 C1' A A 21 30.715 8.427 34.312 1.00 2.79 C +ATOM 445 N9 A A 21 30.729 9.900 34.377 1.00 0.00 N +ATOM 446 C8 A A 21 31.578 10.772 33.746 1.00 0.00 C +ATOM 447 N7 A A 21 31.335 12.031 34.021 1.00 4.38 N +ATOM 448 C5 A A 21 30.246 11.986 34.878 1.00 3.49 C +ATOM 449 C6 A A 21 29.509 13.009 35.524 1.00 0.00 C +ATOM 450 N6 A A 21 29.759 14.297 35.411 1.00 0.47 N +ATOM 451 N1 A A 21 28.487 12.576 36.316 1.00 0.25 N +ATOM 452 C2 A A 21 28.200 11.250 36.461 1.00 1.02 C +ATOM 453 N3 A A 21 28.853 10.249 35.896 1.00 5.26 N +ATOM 454 C4 A A 21 29.866 10.676 35.104 1.00 1.73 C +ATOM 455 P G A 22 29.383 6.640 30.158 1.00 0.00 P +ATOM 456 OP1 G A 22 29.393 5.318 29.415 1.00 12.63 O +ATOM 457 OP2 G A 22 29.589 7.786 29.237 1.00 8.98 O +ATOM 458 O5' G A 22 28.047 6.735 31.015 1.00 1.57 O +ATOM 459 C5' G A 22 26.844 6.842 30.191 1.00 5.53 C +ATOM 460 C4' G A 22 25.709 6.319 31.031 1.00 0.85 C +ATOM 461 O4' G A 22 25.889 6.786 32.356 1.00 5.66 O +ATOM 462 C3' G A 22 24.323 6.825 30.643 1.00 0.74 C +ATOM 463 O3' G A 22 23.727 6.094 29.560 1.00 3.90 O +ATOM 464 C2' G A 22 23.573 6.668 31.952 1.00 0.67 C +ATOM 465 O2' G A 22 23.247 5.279 32.049 1.00 0.00 O +ATOM 466 C1' G A 22 24.613 7.016 32.971 1.00 2.41 C +ATOM 467 N9 G A 22 24.566 8.433 33.375 1.00 7.09 N +ATOM 468 C8 G A 22 25.605 9.333 33.310 1.00 10.11 C +ATOM 469 N7 G A 22 25.302 10.530 33.746 1.00 10.90 N +ATOM 470 C5 G A 22 23.970 10.406 34.134 1.00 4.07 C +ATOM 471 C6 G A 22 23.070 11.345 34.700 1.00 5.94 C +ATOM 472 O6 G A 22 23.287 12.531 34.975 1.00 4.48 O +ATOM 473 N1 G A 22 21.818 10.839 34.958 1.00 12.00 N +ATOM 474 C2 G A 22 21.482 9.552 34.700 1.00 8.56 C +ATOM 475 N2 G A 22 20.222 9.220 35.007 1.00 10.54 N +ATOM 476 N3 G A 22 22.288 8.624 34.167 1.00 10.69 N +ATOM 477 C4 G A 22 23.514 9.125 33.924 1.00 8.12 C +ATOM 478 P A A 23 22.847 6.909 28.477 1.00 5.94 P +ATOM 479 OP1 A A 23 22.881 6.274 27.120 1.00 0.73 O +ATOM 480 OP2 A A 23 23.493 8.253 28.477 1.00 12.20 O +ATOM 481 O5' A A 23 21.385 6.898 29.092 1.00 0.00 O +ATOM 482 C5' A A 23 20.709 5.616 29.269 1.00 6.09 C +ATOM 483 C4' A A 23 19.446 5.931 30.045 1.00 6.73 C +ATOM 484 O4' A A 23 19.783 6.527 31.274 1.00 5.74 O +ATOM 485 C3' A A 23 18.517 6.938 29.350 1.00 5.97 C +ATOM 486 O3' A A 23 17.708 6.359 28.332 1.00 1.13 O +ATOM 487 C2' A A 23 17.738 7.472 30.546 1.00 7.79 C +ATOM 488 O2' A A 23 16.728 6.510 30.837 1.00 11.50 O +ATOM 489 C1' A A 23 18.787 7.477 31.629 1.00 10.64 C +ATOM 490 N9 A A 23 19.363 8.832 31.710 1.00 15.20 N +ATOM 491 C8 A A 23 20.599 9.226 31.257 1.00 15.68 C +ATOM 492 N7 A A 23 20.849 10.491 31.451 1.00 18.24 N +ATOM 493 C5 A A 23 19.703 10.969 32.065 1.00 12.32 C +ATOM 494 C6 A A 23 19.360 12.262 32.534 1.00 15.50 C +ATOM 495 N6 A A 23 20.149 13.318 32.437 1.00 18.17 N +ATOM 496 N1 A A 23 18.121 12.351 33.100 1.00 20.60 N +ATOM 497 C2 A A 23 17.295 11.278 33.213 1.00 20.47 C +ATOM 498 N3 A A 23 17.561 10.041 32.793 1.00 21.86 N +ATOM 499 C4 A A 23 18.784 9.957 32.243 1.00 17.48 C +ATOM 500 P G A 24 17.501 6.983 26.861 1.00 5.70 P +ATOM 501 OP1 G A 24 17.378 5.920 25.795 1.00 8.31 O +ATOM 502 OP2 G A 24 18.624 7.905 26.603 1.00 4.78 O +ATOM 503 O5' G A 24 16.075 7.702 27.007 1.00 11.85 O +ATOM 504 C5' G A 24 15.213 7.073 28.009 1.00 15.16 C +ATOM 505 C4' G A 24 14.407 8.208 28.591 1.00 13.30 C +ATOM 506 O4' G A 24 15.000 8.731 29.754 1.00 13.68 O +ATOM 507 C3' G A 24 14.303 9.406 27.637 1.00 14.60 C +ATOM 508 O3' G A 24 13.364 9.158 26.603 1.00 14.10 O +ATOM 509 C2' G A 24 13.967 10.519 28.607 1.00 17.86 C +ATOM 510 O2' G A 24 12.568 10.418 28.882 1.00 9.54 O +ATOM 511 C1' G A 24 14.773 10.125 29.819 1.00 17.94 C +ATOM 512 N9 G A 24 16.045 10.867 29.754 1.00 19.56 N +ATOM 513 C8 G A 24 17.278 10.344 29.447 1.00 24.47 C +ATOM 514 N7 G A 24 18.244 11.233 29.447 1.00 25.68 N +ATOM 515 C5 G A 24 17.598 12.419 29.787 1.00 25.21 C +ATOM 516 C6 G A 24 18.091 13.740 29.948 1.00 27.48 C +ATOM 517 O6 G A 24 19.257 14.134 29.819 1.00 26.09 O +ATOM 518 N1 G A 24 17.128 14.656 30.288 1.00 30.45 N +ATOM 519 C2 G A 24 15.819 14.319 30.449 1.00 27.68 C +ATOM 520 N2 G A 24 15.006 15.337 30.789 1.00 27.86 N +ATOM 521 N3 G A 24 15.306 13.099 30.304 1.00 24.78 N +ATOM 522 C4 G A 24 16.249 12.200 29.964 1.00 21.58 C +ATOM 523 P C A 25 12.541 10.131 25.665 1.00 23.08 P +ATOM 524 OP1 C A 25 11.465 10.817 26.473 1.00 24.45 O +ATOM 525 OP2 C A 25 11.948 9.220 24.631 1.00 26.26 O +ATOM 526 O5' C A 25 13.467 11.244 25.003 1.00 18.54 O +ATOM 527 C5' C A 25 12.704 12.329 24.372 1.00 21.82 C +ATOM 528 C4' C A 25 12.468 13.392 25.423 1.00 21.60 C +ATOM 529 O4' C A 25 13.247 13.099 26.570 1.00 20.29 O +ATOM 530 C3' C A 25 12.901 14.803 25.019 1.00 21.88 C +ATOM 531 O3' C A 25 11.952 15.511 24.211 1.00 16.04 O +ATOM 532 C2' C A 25 13.127 15.466 26.376 1.00 20.93 C +ATOM 533 O2' C A 25 11.838 15.877 26.845 1.00 17.33 O +ATOM 534 C1' C A 25 13.677 14.319 27.168 1.00 17.48 C +ATOM 535 N1 C A 25 15.149 14.325 27.136 1.00 13.20 N +ATOM 536 C2 C A 25 15.826 15.489 27.427 1.00 17.05 C +ATOM 537 O2 C A 25 15.206 16.501 27.750 1.00 16.74 O +ATOM 538 N3 C A 25 17.195 15.455 27.378 1.00 18.39 N +ATOM 539 C4 C A 25 17.874 14.330 27.023 1.00 16.80 C +ATOM 540 N4 C A 25 19.203 14.330 26.974 1.00 12.35 N +ATOM 541 C5 C A 25 17.161 13.139 26.700 1.00 17.02 C +ATOM 542 C6 C A 25 15.822 13.189 26.764 1.00 12.57 C +ATOM 543 P G A 26 12.321 15.702 22.643 1.00 29.87 P +ATOM 544 OP1 G A 26 11.072 15.663 21.819 1.00 33.15 O +ATOM 545 OP2 G A 26 13.211 14.544 22.368 1.00 23.48 O +ATOM 546 O5' G A 26 13.047 17.113 22.562 1.00 22.58 O +ATOM 547 C5' G A 26 12.741 18.131 23.564 1.00 24.79 C +ATOM 548 C4' G A 26 14.000 18.963 23.694 1.00 20.77 C +ATOM 549 O4' G A 26 14.820 18.401 24.712 1.00 18.03 O +ATOM 550 C3' G A 26 14.866 18.997 22.449 1.00 18.83 C +ATOM 551 O3' G A 26 14.417 19.947 21.496 1.00 16.54 O +ATOM 552 C2' G A 26 16.242 19.328 23.031 1.00 20.38 C +ATOM 553 O2' G A 26 16.299 20.734 23.209 1.00 22.35 O +ATOM 554 C1' G A 26 16.195 18.586 24.372 1.00 23.07 C +ATOM 555 N9 G A 26 16.925 17.316 24.227 1.00 24.84 N +ATOM 556 C8 G A 26 16.435 16.045 24.114 1.00 23.72 C +ATOM 557 N7 G A 26 17.365 15.123 24.001 1.00 23.35 N +ATOM 558 C5 G A 26 18.554 15.848 24.065 1.00 21.52 C +ATOM 559 C6 G A 26 19.913 15.432 24.001 1.00 22.80 C +ATOM 560 O6 G A 26 20.339 14.274 23.887 1.00 22.96 O +ATOM 561 N1 G A 26 20.825 16.456 24.097 1.00 20.51 N +ATOM 562 C2 G A 26 20.442 17.749 24.227 1.00 23.90 C +ATOM 563 N2 G A 26 21.375 18.693 24.308 1.00 25.45 N +ATOM 564 N3 G A 26 19.193 18.198 24.292 1.00 22.42 N +ATOM 565 C4 G A 26 18.297 17.192 24.194 1.00 21.82 C +ATOM 566 CM1 G A 26 20.815 20.009 24.453 1.00 21.30 C +ATOM 567 CM2 G A 26 22.721 18.316 24.259 1.00 24.30 C +ATOM 568 P C A 27 14.347 19.744 19.895 1.00 20.07 P +ATOM 569 OP1 C A 27 13.314 20.616 19.249 1.00 15.88 O +ATOM 570 OP2 C A 27 13.997 18.305 19.766 1.00 25.96 O +ATOM 571 O5' C A 27 15.822 20.138 19.427 1.00 16.34 O +ATOM 572 C5' C A 27 16.592 20.981 20.332 1.00 15.72 C +ATOM 573 C4' C A 27 18.024 20.903 19.863 1.00 17.30 C +ATOM 574 O4' C A 27 18.797 20.155 20.784 1.00 18.55 O +ATOM 575 C3' C A 27 18.207 20.183 18.522 1.00 18.37 C +ATOM 576 O3' C A 27 17.911 21.021 17.406 1.00 23.90 O +ATOM 577 C2' C A 27 19.673 19.739 18.619 1.00 17.05 C +ATOM 578 O2' C A 27 20.476 20.858 18.247 1.00 19.18 O +ATOM 579 C1' C A 27 19.806 19.424 20.089 1.00 14.80 C +ATOM 580 N1 C A 27 19.623 17.979 20.283 1.00 20.01 N +ATOM 581 C2 C A 27 20.662 17.142 19.928 1.00 18.21 C +ATOM 582 O2 C A 27 21.705 17.591 19.459 1.00 16.44 O +ATOM 583 N3 C A 27 20.479 15.798 20.105 1.00 17.00 N +ATOM 584 C4 C A 27 19.323 15.292 20.623 1.00 21.09 C +ATOM 585 N4 C A 27 19.203 13.971 20.784 1.00 23.04 N +ATOM 586 C5 C A 27 18.260 16.169 20.994 1.00 18.01 C +ATOM 587 C6 C A 27 18.457 17.479 20.801 1.00 19.95 C +ATOM 588 P C A 28 18.077 20.582 15.871 1.00 33.10 P +ATOM 589 OP1 C A 28 17.758 21.706 14.934 1.00 25.70 O +ATOM 590 OP2 C A 28 17.098 19.469 15.710 1.00 32.53 O +ATOM 591 O5' C A 28 19.610 20.144 15.774 1.00 19.71 O +ATOM 592 C5' C A 28 20.419 20.627 14.675 1.00 18.88 C +ATOM 593 C4' C A 28 21.548 19.643 14.465 1.00 20.19 C +ATOM 594 O4' C A 28 21.821 18.918 15.645 1.00 20.55 O +ATOM 595 C3' C A 28 21.258 18.564 13.415 1.00 19.77 C +ATOM 596 O3' C A 28 21.448 19.031 12.089 1.00 25.59 O +ATOM 597 C2' C A 28 22.238 17.462 13.818 1.00 17.66 C +ATOM 598 O2' C A 28 23.503 17.822 13.269 1.00 20.65 O +ATOM 599 C1' C A 28 22.244 17.580 15.322 1.00 17.06 C +ATOM 600 N1 C A 28 21.368 16.574 15.952 1.00 15.63 N +ATOM 601 C2 C A 28 21.781 15.252 15.871 1.00 16.77 C +ATOM 602 O2 C A 28 22.827 14.949 15.305 1.00 17.51 O +ATOM 603 N3 C A 28 20.989 14.302 16.453 1.00 16.03 N +ATOM 604 C4 C A 28 19.826 14.628 17.083 1.00 15.19 C +ATOM 605 N4 C A 28 19.093 13.661 17.633 1.00 14.44 N +ATOM 606 C5 C A 28 19.416 15.989 17.164 1.00 17.77 C +ATOM 607 C6 C A 28 20.209 16.911 16.582 1.00 16.79 C +ATOM 608 P A A 29 20.302 18.839 10.974 1.00 34.75 P +ATOM 609 OP1 A A 29 20.602 19.683 9.778 1.00 29.69 O +ATOM 610 OP2 A A 29 19.060 19.250 11.685 1.00 31.89 O +ATOM 611 O5' A A 29 20.376 17.276 10.667 1.00 26.67 O +ATOM 612 C5' A A 29 20.965 16.894 9.406 1.00 27.49 C +ATOM 613 C4' A A 29 21.861 15.702 9.649 1.00 26.49 C +ATOM 614 O4' A A 29 22.051 15.477 11.039 1.00 25.60 O +ATOM 615 C3' A A 29 21.285 14.381 9.132 1.00 25.08 C +ATOM 616 O3' A A 29 21.428 14.201 7.725 1.00 22.54 O +ATOM 617 C2' A A 29 22.055 13.363 9.972 1.00 23.29 C +ATOM 618 O2' A A 29 23.334 13.223 9.358 1.00 22.73 O +ATOM 619 C1' A A 29 22.168 14.078 11.281 1.00 21.55 C +ATOM 620 N9 A A 29 21.065 13.588 12.138 1.00 18.46 N +ATOM 621 C8 A A 29 20.003 14.314 12.606 1.00 19.07 C +ATOM 622 N7 A A 29 19.167 13.611 13.334 1.00 17.22 N +ATOM 623 C5 A A 29 19.723 12.335 13.334 1.00 16.57 C +ATOM 624 C6 A A 29 19.296 11.132 13.932 1.00 19.45 C +ATOM 625 N6 A A 29 18.197 11.030 14.659 1.00 18.51 N +ATOM 626 N1 A A 29 20.103 10.052 13.722 1.00 21.52 N +ATOM 627 C2 A A 29 21.239 10.148 12.962 1.00 18.07 C +ATOM 628 N3 A A 29 21.698 11.250 12.364 1.00 17.75 N +ATOM 629 C4 A A 29 20.889 12.307 12.590 1.00 17.61 C +ATOM 630 P G A 30 20.049 13.712 7.014 1.00 28.73 P +ATOM 631 OP1 G A 30 20.029 14.100 5.576 1.00 28.93 O +ATOM 632 OP2 G A 30 19.010 14.409 7.822 1.00 28.96 O +ATOM 633 O5' G A 30 20.093 12.127 7.241 1.00 24.12 O +ATOM 634 C5' G A 30 21.305 11.553 7.774 1.00 23.01 C +ATOM 635 C4' G A 30 21.039 10.114 8.162 1.00 22.38 C +ATOM 636 O4' G A 30 20.775 10.058 9.568 1.00 23.65 O +ATOM 637 C3' G A 30 19.819 9.462 7.531 1.00 23.59 C +ATOM 638 O3' G A 30 20.093 8.984 6.222 1.00 25.81 O +ATOM 639 C2' G A 30 19.486 8.349 8.533 1.00 22.06 C +ATOM 640 O2' G A 30 20.346 7.252 8.259 1.00 21.95 O +ATOM 641 C1' G A 30 19.839 9.001 9.859 1.00 21.11 C +ATOM 642 N9 G A 30 18.624 9.496 10.521 1.00 17.84 N +ATOM 643 C8 G A 30 18.134 10.766 10.618 1.00 15.79 C +ATOM 644 N7 G A 30 17.025 10.862 11.313 1.00 14.31 N +ATOM 645 C5 G A 30 16.768 9.552 11.701 1.00 16.78 C +ATOM 646 C6 G A 30 15.716 8.984 12.477 1.00 19.20 C +ATOM 647 O6 G A 30 14.753 9.574 12.978 1.00 18.18 O +ATOM 648 N1 G A 30 15.809 7.623 12.655 1.00 18.94 N +ATOM 649 C2 G A 30 16.828 6.887 12.138 1.00 19.57 C +ATOM 650 N2 G A 30 16.778 5.571 12.396 1.00 17.51 N +ATOM 651 N3 G A 30 17.837 7.365 11.410 1.00 19.89 N +ATOM 652 C4 G A 30 17.744 8.703 11.233 1.00 18.38 C +ATOM 653 P A A 31 19.010 8.928 5.043 1.00 37.02 P +ATOM 654 OP1 A A 31 19.583 8.219 3.830 1.00 30.97 O +ATOM 655 OP2 A A 31 18.707 10.356 4.752 1.00 26.58 O +ATOM 656 O5' A A 31 17.808 8.084 5.673 1.00 30.07 O +ATOM 657 C5' A A 31 17.621 6.729 5.172 1.00 30.35 C +ATOM 658 C4' A A 31 16.995 5.926 6.303 1.00 27.81 C +ATOM 659 O4' A A 31 17.195 6.595 7.531 1.00 26.76 O +ATOM 660 C3' A A 31 15.483 5.740 6.190 1.00 26.45 C +ATOM 661 O3' A A 31 15.083 4.694 5.301 1.00 30.61 O +ATOM 662 C2' A A 31 15.113 5.470 7.661 1.00 24.54 C +ATOM 663 O2' A A 31 15.386 4.098 7.903 1.00 28.13 O +ATOM 664 C1' A A 31 16.082 6.364 8.388 1.00 22.42 C +ATOM 665 N9 A A 31 15.389 7.612 8.744 1.00 21.95 N +ATOM 666 C8 A A 31 15.696 8.894 8.372 1.00 22.76 C +ATOM 667 N7 A A 31 14.876 9.805 8.841 1.00 19.49 N +ATOM 668 C5 A A 31 13.967 9.057 9.584 1.00 20.04 C +ATOM 669 C6 A A 31 12.841 9.451 10.360 1.00 20.83 C +ATOM 670 N6 A A 31 12.431 10.699 10.505 1.00 21.29 N +ATOM 671 N1 A A 31 12.172 8.422 10.958 1.00 25.93 N +ATOM 672 C2 A A 31 12.571 7.129 10.828 1.00 26.19 C +ATOM 673 N3 A A 31 13.617 6.690 10.134 1.00 23.41 N +ATOM 674 C4 A A 31 14.270 7.713 9.536 1.00 22.31 C +ATOM 675 N1 C A 32 11.289 7.882 7.160 1.00 35.76 N +ATOM 676 C2 C A 32 10.706 9.018 7.677 1.00 35.78 C +ATOM 677 N3 C A 32 11.312 10.215 7.418 1.00 36.87 N +ATOM 678 C4 C A 32 12.451 10.305 6.675 1.00 37.09 C +ATOM 679 C5 C A 32 13.038 9.125 6.142 1.00 35.60 C +ATOM 680 C6 C A 32 12.428 7.961 6.400 1.00 34.56 C +ATOM 681 O2 C A 32 9.680 8.945 8.356 1.00 34.90 O +ATOM 682 N4 C A 32 13.001 11.503 6.449 1.00 35.89 N +ATOM 683 C1' C A 32 10.633 6.589 7.418 1.00 37.12 C +ATOM 684 C2' C A 32 9.480 6.499 6.432 1.00 38.77 C +ATOM 685 O2' C A 32 8.391 5.774 6.998 1.00 44.03 O +ATOM 686 CM2 C A 32 7.285 6.061 7.596 1.00 45.01 C +ATOM 687 C3' C A 32 10.093 5.639 5.333 1.00 37.31 C +ATOM 688 C4' C A 32 10.976 4.683 6.125 1.00 37.40 C +ATOM 689 O4' C A 32 11.485 5.481 7.192 1.00 41.20 O +ATOM 690 O3' C A 32 9.107 4.992 4.525 0.86 37.82 O +ATOM 691 C5' C A 32 12.122 4.059 5.366 1.00 34.16 C +ATOM 692 O5' C A 32 12.681 5.049 4.477 1.00 30.92 O +ATOM 693 P C A 32 14.197 4.998 3.976 1.00 40.89 P +ATOM 694 OP1 C A 32 14.423 3.935 2.941 1.00 30.60 O +ATOM 695 OP2 C A 32 14.720 6.313 3.507 1.00 32.99 O +ATOM 696 P U A 33 9.200 5.127 2.925 0.86 37.78 P +ATOM 697 OP1 U A 33 8.581 3.930 2.263 0.86 32.75 O +ATOM 698 OP2 U A 33 10.663 5.217 2.667 0.86 34.57 O +ATOM 699 O5' U A 33 8.387 6.465 2.602 0.86 34.32 O +ATOM 700 C5' U A 33 6.975 6.359 2.295 0.70 33.58 C +ATOM 701 C4' U A 33 6.232 7.421 3.071 0.70 30.43 C +ATOM 702 O4' U A 33 7.032 7.899 4.137 0.70 31.83 O +ATOM 703 C3' U A 33 5.886 8.675 2.263 0.70 30.27 C +ATOM 704 O3' U A 33 4.730 8.529 1.438 0.69 33.13 O +ATOM 705 C2' U A 33 5.709 9.720 3.362 0.70 30.04 C +ATOM 706 O2' U A 33 4.394 9.574 3.895 0.70 25.89 O +ATOM 707 C1' U A 33 6.765 9.276 4.364 0.70 29.86 C +ATOM 708 N1 U A 33 7.951 10.125 4.121 1.00 27.37 N +ATOM 709 C2 U A 33 7.911 11.418 4.622 1.00 25.07 C +ATOM 710 O2 U A 33 6.932 11.823 5.236 1.00 22.79 O +ATOM 711 N3 U A 33 9.004 12.205 4.396 1.00 24.34 N +ATOM 712 C4 U A 33 10.093 11.761 3.717 1.00 24.68 C +ATOM 713 O4 U A 33 11.049 12.582 3.556 1.00 30.20 O +ATOM 714 C5 U A 33 10.113 10.434 3.200 1.00 22.57 C +ATOM 715 C6 U A 33 9.037 9.670 3.426 1.00 24.36 C +ATOM 716 P G A 34 4.883 7.809 0.000 0.69 39.54 P +ATOM 717 OP1 G A 34 3.857 6.713 -0.097 0.69 37.74 O +ATOM 718 OP2 G A 34 6.289 7.326 -0.016 0.69 31.79 O +ATOM 719 O5' G A 34 4.610 8.945 -1.083 0.69 33.84 O +ATOM 720 C5' G A 34 5.699 9.496 -1.891 0.79 30.14 C +ATOM 721 C4' G A 34 5.370 10.974 -1.972 0.79 28.23 C +ATOM 722 O4' G A 34 3.971 11.115 -2.101 0.79 24.42 O +ATOM 723 C3' G A 34 5.736 11.773 -0.727 0.79 29.46 C +ATOM 724 O3' G A 34 7.108 12.149 -0.711 1.00 36.37 O +ATOM 725 C2' G A 34 4.777 12.959 -0.824 0.79 26.04 C +ATOM 726 O2' G A 34 5.343 13.892 -1.729 0.79 27.05 O +ATOM 727 CM2 G A 34 4.917 14.651 -2.683 0.79 23.06 C +ATOM 728 C1' G A 34 3.554 12.307 -1.406 0.79 24.20 C +ATOM 729 N9 G A 34 2.588 11.919 -0.372 0.93 22.94 N +ATOM 730 C8 G A 34 2.225 10.637 -0.032 0.93 20.77 C +ATOM 731 N7 G A 34 1.336 10.581 0.921 0.93 23.23 N +ATOM 732 C5 G A 34 1.099 11.919 1.245 0.93 23.53 C +ATOM 733 C6 G A 34 0.240 12.526 2.198 0.93 21.69 C +ATOM 734 O6 G A 34 -0.516 11.958 2.990 0.93 20.60 O +ATOM 735 N1 G A 34 0.283 13.898 2.198 0.93 20.10 N +ATOM 736 C2 G A 34 1.086 14.606 1.374 0.93 20.29 C +ATOM 737 N2 G A 34 1.003 15.938 1.503 0.93 21.41 N +ATOM 738 N3 G A 34 1.912 14.094 0.452 0.93 16.67 N +ATOM 739 C4 G A 34 1.865 12.751 0.452 1.00 22.66 C +ATOM 740 P A A 35 7.878 12.683 0.598 1.00 42.69 P +ATOM 741 OP1 A A 35 9.204 11.992 0.727 1.00 40.46 O +ATOM 742 OP2 A A 35 6.982 12.374 1.745 1.00 32.74 O +ATOM 743 O5' A A 35 8.044 14.252 0.323 1.00 29.05 O +ATOM 744 C5' A A 35 8.411 15.050 1.471 1.00 32.39 C +ATOM 745 C4' A A 35 7.208 15.865 1.891 1.00 31.49 C +ATOM 746 O4' A A 35 5.996 15.314 1.406 1.00 32.06 O +ATOM 747 C3' A A 35 6.995 15.944 3.410 1.00 31.01 C +ATOM 748 O3' A A 35 7.878 16.883 4.041 1.00 32.13 O +ATOM 749 C2' A A 35 5.519 16.309 3.507 1.00 31.04 C +ATOM 750 O2' A A 35 5.400 17.709 3.297 1.00 33.84 O +ATOM 751 C1' A A 35 4.926 15.539 2.327 1.00 30.29 C +ATOM 752 N9 A A 35 4.287 14.325 2.845 1.00 28.33 N +ATOM 753 C8 A A 35 4.427 13.026 2.441 1.00 30.43 C +ATOM 754 N7 A A 35 3.697 12.172 3.135 1.00 29.55 N +ATOM 755 C5 A A 35 3.031 12.976 4.057 1.00 26.03 C +ATOM 756 C6 A A 35 2.102 12.661 5.075 1.00 29.14 C +ATOM 757 N6 A A 35 1.679 11.435 5.333 1.00 30.66 N +ATOM 758 N1 A A 35 1.645 13.729 5.786 1.00 29.22 N +ATOM 759 C2 A A 35 2.065 15.000 5.527 1.00 28.74 C +ATOM 760 N3 A A 35 2.935 15.359 4.590 1.00 24.86 N +ATOM 761 C4 A A 35 3.378 14.302 3.879 1.00 25.40 C +ATOM 762 P A A 36 9.124 16.337 4.913 1.00 32.39 P +ATOM 763 OP1 A A 36 9.686 17.451 5.754 1.00 27.38 O +ATOM 764 OP2 A A 36 10.080 15.877 3.879 1.00 26.17 O +ATOM 765 O5' A A 36 8.481 15.157 5.770 1.00 29.40 O +ATOM 766 C5' A A 36 8.387 15.163 7.208 1.00 29.36 C +ATOM 767 C4' A A 36 7.045 15.764 7.580 1.00 29.96 C +ATOM 768 O4' A A 36 6.016 15.247 6.740 1.00 26.55 O +ATOM 769 C3' A A 36 6.582 15.444 9.002 1.00 31.22 C +ATOM 770 O3' A A 36 7.198 16.276 9.988 1.00 34.74 O +ATOM 771 C2' A A 36 5.076 15.640 8.905 1.00 28.02 C +ATOM 772 O2' A A 36 4.807 17.035 9.002 1.00 31.89 O +ATOM 773 C1' A A 36 4.793 15.146 7.483 1.00 27.57 C +ATOM 774 N9 A A 36 4.250 13.780 7.580 1.00 28.30 N +ATOM 775 C8 A A 36 4.620 12.655 6.901 1.00 28.20 C +ATOM 776 N7 A A 36 3.921 11.593 7.224 1.00 30.17 N +ATOM 777 C5 A A 36 3.024 12.059 8.178 1.00 28.26 C +ATOM 778 C6 A A 36 2.005 11.396 8.905 1.00 32.35 C +ATOM 779 N6 A A 36 1.715 10.108 8.776 1.00 31.13 N +ATOM 780 N1 A A 36 1.309 12.189 9.778 1.00 31.00 N +ATOM 781 C2 A A 36 1.589 13.515 9.924 1.00 27.16 C +ATOM 782 N3 A A 36 2.532 14.190 9.261 1.00 28.43 N +ATOM 783 C4 A A 36 3.211 13.403 8.404 1.00 27.49 C +ATOM 784 N1 G A 37 2.585 8.422 12.186 0.67 32.84 N +ATOM 785 N2 G A 37 1.199 8.422 13.932 0.67 33.74 N +ATOM 786 C2 G A 37 2.125 9.243 13.140 0.67 32.65 C +ATOM 787 N3 G A 37 2.418 10.530 13.366 0.67 34.48 N +ATOM 788 C3 G A 37 1.862 11.233 14.400 0.67 34.99 C +ATOM 789 C4 G A 37 3.304 10.963 12.445 0.67 32.20 C +ATOM 790 C5 G A 37 3.857 10.260 11.410 0.67 32.03 C +ATOM 791 C6 G A 37 3.458 8.894 11.281 0.67 32.23 C +ATOM 792 O6 G A 37 3.887 8.124 10.392 0.67 34.22 O +ATOM 793 N7 G A 37 4.713 11.014 10.667 0.67 34.64 N +ATOM 794 C8 G A 37 4.670 12.194 11.265 0.67 33.25 C +ATOM 795 N9 G A 37 3.817 12.217 12.364 0.67 31.28 N +ATOM 796 C10 G A 37 0.453 6.044 13.786 0.67 33.29 C +ATOM 797 C11 G A 37 1.242 7.241 13.334 0.67 35.54 C +ATOM 798 C12 G A 37 2.099 7.219 12.251 0.67 35.82 C +ATOM 799 C13 G A 37 2.382 6.055 11.330 0.67 36.24 C +ATOM 800 C14 G A 37 1.612 6.297 10.053 0.67 37.78 C +ATOM 801 C15 G A 37 0.716 5.155 9.729 0.67 37.43 C +ATOM 802 C16 G A 37 -0.723 5.583 9.713 0.67 39.34 C +ATOM 803 O17 G A 37 -1.036 6.774 9.616 0.67 41.33 O +ATOM 804 O18 G A 37 -1.762 4.593 9.810 0.67 39.75 O +ATOM 805 C19 G A 37 -2.355 4.677 11.103 0.67 37.00 C +ATOM 806 N20 G A 37 1.033 4.689 8.356 0.67 37.87 N +ATOM 807 C21 G A 37 1.006 5.560 7.370 0.67 37.22 C +ATOM 808 O22 G A 37 0.486 6.668 7.499 0.67 34.82 O +ATOM 809 O23 G A 37 1.589 5.217 6.109 0.67 37.80 O +ATOM 810 C24 G A 37 0.573 5.161 5.107 0.67 38.27 C +ATOM 811 C1' G A 37 3.571 13.347 13.204 1.00 35.07 C +ATOM 812 C2' G A 37 4.427 13.234 14.465 1.00 35.84 C +ATOM 813 O2' G A 37 3.784 13.847 15.564 1.00 32.99 O +ATOM 814 C3' G A 37 5.626 14.100 14.109 1.00 36.71 C +ATOM 815 O3' G A 37 6.346 14.538 15.273 1.00 40.56 O +ATOM 816 C4' G A 37 4.977 15.213 13.285 1.00 36.00 C +ATOM 817 O4' G A 37 3.951 14.561 12.558 1.00 37.29 O +ATOM 818 C5' G A 37 5.892 15.944 12.332 1.00 32.52 C +ATOM 819 O5' G A 37 7.035 15.056 12.138 1.00 34.35 O +ATOM 820 P G A 37 8.131 15.618 11.120 1.00 45.47 P +ATOM 821 OP1 G A 37 8.964 16.675 11.782 1.00 43.57 O +ATOM 822 OP2 G A 37 8.914 14.617 10.360 1.00 39.46 O +ATOM 823 P A A 38 7.718 13.751 15.613 1.00 42.64 P +ATOM 824 OP1 A A 38 8.821 14.696 15.984 1.00 37.89 O +ATOM 825 OP2 A A 38 8.021 13.043 14.336 1.00 39.37 O +ATOM 826 O5' A A 38 7.318 12.790 16.825 1.00 32.99 O +ATOM 827 C5' A A 38 6.152 13.037 17.649 1.00 30.76 C +ATOM 828 C4' A A 38 5.330 11.761 17.617 1.00 33.37 C +ATOM 829 O4' A A 38 4.767 11.626 16.324 1.00 32.03 O +ATOM 830 C3' A A 38 6.089 10.457 17.827 1.00 33.48 C +ATOM 831 O3' A A 38 6.339 10.103 19.201 1.00 33.69 O +ATOM 832 C2' A A 38 5.166 9.445 17.148 1.00 31.61 C +ATOM 833 O2' A A 38 4.120 9.141 18.053 1.00 33.00 O +ATOM 834 C1' A A 38 4.653 10.255 15.984 1.00 30.13 C +ATOM 835 N9 A A 38 5.493 9.884 14.821 1.00 27.03 N +ATOM 836 C8 A A 38 6.402 10.659 14.158 1.00 26.03 C +ATOM 837 N7 A A 38 7.005 10.035 13.172 1.00 24.70 N +ATOM 838 C5 A A 38 6.459 8.759 13.204 1.00 26.51 C +ATOM 839 C6 A A 38 6.692 7.618 12.412 1.00 27.76 C +ATOM 840 N6 A A 38 7.558 7.584 11.410 1.00 30.99 N +ATOM 841 N1 A A 38 5.956 6.516 12.736 1.00 28.54 N +ATOM 842 C2 A A 38 5.063 6.533 13.770 1.00 30.31 C +ATOM 843 N3 A A 38 4.797 7.573 14.562 1.00 30.93 N +ATOM 844 C4 A A 38 5.530 8.652 14.223 1.00 27.66 C +ATOM 845 N1 U A 39 9.443 9.659 14.917 1.00 32.19 N +ATOM 846 C2 U A 39 10.389 9.490 13.964 1.00 31.34 C +ATOM 847 N3 U A 39 10.656 8.180 13.657 1.00 29.52 N +ATOM 848 C4 U A 39 10.070 7.061 14.223 1.00 33.42 C +ATOM 849 C5 U A 39 9.070 7.331 15.241 1.00 30.22 C +ATOM 850 C6 U A 39 8.804 8.618 15.532 1.00 32.36 C +ATOM 851 O2 U A 39 10.972 10.418 13.398 1.00 32.92 O +ATOM 852 O4 U A 39 10.369 5.920 13.899 1.00 36.50 O +ATOM 853 C1' U A 39 8.371 6.190 15.903 1.00 29.21 C +ATOM 854 C2' U A 39 9.283 5.189 16.615 1.00 32.27 C +ATOM 855 O2' U A 39 8.747 3.874 16.534 1.00 33.25 O +ATOM 856 C3' U A 39 9.204 5.633 18.069 1.00 33.21 C +ATOM 857 C4' U A 39 7.751 6.100 18.166 1.00 34.51 C +ATOM 858 O3' U A 39 9.503 4.604 19.007 1.00 34.14 O +ATOM 859 O4' U A 39 7.475 6.696 16.922 1.00 34.97 O +ATOM 860 C5' U A 39 7.481 7.089 19.297 1.00 33.91 C +ATOM 861 O5' U A 39 8.141 8.321 18.910 1.00 32.59 O +ATOM 862 P U A 39 7.841 9.698 19.621 1.00 32.28 P +ATOM 863 OP1 U A 39 7.951 9.602 21.124 1.00 37.67 O +ATOM 864 OP2 U A 39 8.651 10.834 19.087 1.00 32.24 O +ATOM 865 P C A 40 10.782 4.486 19.960 1.00 34.43 P +ATOM 866 OP1 C A 40 10.449 3.671 21.172 1.00 30.68 O +ATOM 867 OP2 C A 40 11.089 5.892 20.332 1.00 28.93 O +ATOM 868 O5' C A 40 11.885 3.778 19.039 1.00 28.81 O +ATOM 869 C5' C A 40 11.728 2.401 18.619 1.00 28.35 C +ATOM 870 C4' C A 40 12.548 2.221 17.358 1.00 29.61 C +ATOM 871 O4' C A 40 11.988 3.002 16.308 1.00 29.56 O +ATOM 872 C3' C A 40 13.997 2.687 17.439 1.00 31.68 C +ATOM 873 O3' C A 40 14.873 1.743 18.069 1.00 35.29 O +ATOM 874 C2' C A 40 14.347 2.946 15.968 1.00 27.14 C +ATOM 875 O2' C A 40 14.696 1.692 15.386 1.00 23.50 O +ATOM 876 C1' C A 40 13.024 3.469 15.435 1.00 25.42 C +ATOM 877 N1 C A 40 13.091 4.942 15.418 1.00 19.88 N +ATOM 878 C2 C A 40 13.940 5.526 14.497 1.00 20.27 C +ATOM 879 O2 C A 40 14.603 4.835 13.722 1.00 20.75 O +ATOM 880 N3 C A 40 14.010 6.893 14.465 1.00 20.93 N +ATOM 881 C4 C A 40 13.284 7.668 15.322 1.00 18.76 C +ATOM 882 N4 C A 40 13.384 9.001 15.257 1.00 17.83 N +ATOM 883 C5 C A 40 12.418 7.056 16.259 1.00 18.58 C +ATOM 884 C6 C A 40 12.358 5.718 16.275 1.00 19.25 C +ATOM 885 CM5 C A 40 11.608 7.905 17.196 1.00 21.21 C +ATOM 886 P U A 41 16.185 2.215 18.877 1.00 35.32 P +ATOM 887 OP1 U A 41 16.658 1.124 19.799 1.00 26.86 O +ATOM 888 OP2 U A 41 15.739 3.429 19.621 1.00 33.21 O +ATOM 889 O5' U A 41 17.235 2.513 17.714 1.00 26.80 O +ATOM 890 C5' U A 41 17.698 1.389 16.906 1.00 27.18 C +ATOM 891 C4' U A 41 18.850 1.934 16.081 1.00 23.05 C +ATOM 892 O4' U A 41 18.314 2.699 15.014 1.00 20.17 O +ATOM 893 C3' U A 41 19.789 2.878 16.825 1.00 24.93 C +ATOM 894 O3' U A 41 20.799 2.237 17.600 1.00 27.91 O +ATOM 895 C2' U A 41 20.382 3.682 15.661 1.00 27.05 C +ATOM 896 O2' U A 41 21.435 2.890 15.111 1.00 26.81 O +ATOM 897 C1' U A 41 19.193 3.772 14.724 1.00 23.28 C +ATOM 898 N1 U A 41 18.554 5.077 14.966 1.00 24.30 N +ATOM 899 C2 U A 41 19.077 6.179 14.303 1.00 28.89 C +ATOM 900 O2 U A 41 20.033 6.055 13.544 1.00 29.05 O +ATOM 901 N3 U A 41 18.487 7.393 14.546 1.00 24.96 N +ATOM 902 C4 U A 41 17.428 7.528 15.386 1.00 22.40 C +ATOM 903 O4 U A 41 16.958 8.697 15.532 1.00 24.28 O +ATOM 904 C5 U A 41 16.908 6.387 16.065 1.00 22.17 C +ATOM 905 C6 U A 41 17.498 5.206 15.823 1.00 23.91 C +ATOM 906 P G A 42 21.595 3.036 18.764 1.00 31.63 P +ATOM 907 OP1 G A 42 22.384 2.075 19.604 1.00 28.12 O +ATOM 908 OP2 G A 42 20.516 3.699 19.556 1.00 22.68 O +ATOM 909 O5' G A 42 22.551 4.031 17.972 1.00 19.53 O +ATOM 910 C5' G A 42 23.583 3.519 17.099 1.00 19.97 C +ATOM 911 C4' G A 42 24.146 4.717 16.356 1.00 22.10 C +ATOM 912 O4' G A 42 23.084 5.375 15.661 1.00 26.60 O +ATOM 913 C3' G A 42 24.776 5.807 17.212 1.00 19.91 C +ATOM 914 O3' G A 42 26.128 5.560 17.617 1.00 20.68 O +ATOM 915 C2' G A 42 24.659 7.028 16.291 1.00 21.26 C +ATOM 916 O2' G A 42 25.732 6.966 15.370 1.00 21.51 O +ATOM 917 C1' G A 42 23.337 6.774 15.596 1.00 23.91 C +ATOM 918 N9 G A 42 22.324 7.578 16.308 1.00 18.48 N +ATOM 919 C8 G A 42 21.332 7.129 17.148 1.00 18.18 C +ATOM 920 N7 G A 42 20.586 8.084 17.633 1.00 18.52 N +ATOM 921 C5 G A 42 21.125 9.243 17.099 1.00 16.12 C +ATOM 922 C6 G A 42 20.759 10.609 17.245 1.00 16.98 C +ATOM 923 O6 G A 42 19.836 11.059 17.924 1.00 18.24 O +ATOM 924 N1 G A 42 21.542 11.480 16.534 1.00 16.87 N +ATOM 925 C2 G A 42 22.577 11.070 15.758 1.00 17.61 C +ATOM 926 N2 G A 42 23.234 12.059 15.128 1.00 17.39 N +ATOM 927 N3 G A 42 22.964 9.805 15.580 1.00 18.80 N +ATOM 928 C4 G A 42 22.194 8.945 16.275 1.00 17.14 C +ATOM 929 P G A 43 26.715 6.263 18.958 1.00 25.50 P +ATOM 930 OP1 G A 43 27.960 5.577 19.427 1.00 18.73 O +ATOM 931 OP2 G A 43 25.605 6.100 19.944 1.00 18.55 O +ATOM 932 O5' G A 43 27.021 7.758 18.506 1.00 23.39 O +ATOM 933 C5' G A 43 27.791 8.073 17.309 1.00 22.77 C +ATOM 934 C4' G A 43 27.774 9.585 17.164 1.00 21.17 C +ATOM 935 O4' G A 43 26.495 10.007 16.695 1.00 22.41 O +ATOM 936 C3' G A 43 27.980 10.361 18.457 1.00 19.66 C +ATOM 937 O3' G A 43 29.349 10.502 18.861 1.00 20.78 O +ATOM 938 C2' G A 43 27.337 11.705 18.118 1.00 18.90 C +ATOM 939 O2' G A 43 28.310 12.430 17.374 1.00 23.35 O +ATOM 940 C1' G A 43 26.178 11.278 17.245 1.00 17.39 C +ATOM 941 N9 G A 43 24.993 11.227 18.118 1.00 14.19 N +ATOM 942 C8 G A 43 24.486 10.108 18.732 1.00 14.07 C +ATOM 943 N7 G A 43 23.427 10.339 19.459 1.00 14.63 N +ATOM 944 C5 G A 43 23.220 11.711 19.314 1.00 13.86 C +ATOM 945 C6 G A 43 22.231 12.571 19.847 1.00 17.13 C +ATOM 946 O6 G A 43 21.298 12.250 20.607 1.00 19.62 O +ATOM 947 N1 G A 43 22.354 13.881 19.475 1.00 12.99 N +ATOM 948 C2 G A 43 23.344 14.314 18.651 1.00 12.94 C +ATOM 949 N2 G A 43 23.314 15.629 18.376 1.00 14.10 N +ATOM 950 N3 G A 43 24.296 13.549 18.118 1.00 14.82 N +ATOM 951 C4 G A 43 24.176 12.262 18.489 1.00 12.94 C +ATOM 952 P A A 44 29.649 10.783 20.429 1.00 28.67 P +ATOM 953 OP1 A A 44 30.902 10.097 20.881 1.00 27.63 O +ATOM 954 OP2 A A 44 28.460 10.193 21.124 1.00 25.89 O +ATOM 955 O5' A A 44 29.749 12.363 20.526 1.00 21.80 O +ATOM 956 C5' A A 44 30.465 13.195 19.572 1.00 18.26 C +ATOM 957 C4' A A 44 29.886 14.595 19.685 1.00 17.95 C +ATOM 958 O4' A A 44 28.517 14.538 19.297 1.00 14.43 O +ATOM 959 C3' A A 44 29.872 15.213 21.075 1.00 20.30 C +ATOM 960 O3' A A 44 31.111 15.815 21.479 1.00 24.13 O +ATOM 961 C2' A A 44 28.736 16.231 20.946 1.00 15.67 C +ATOM 962 O2' A A 44 29.266 17.389 20.316 1.00 20.20 O +ATOM 963 C1' A A 44 27.777 15.505 20.041 1.00 13.70 C +ATOM 964 N9 A A 44 26.755 14.859 20.865 1.00 14.55 N +ATOM 965 C8 A A 44 26.731 13.560 21.318 1.00 13.46 C +ATOM 966 N7 A A 44 25.689 13.268 22.045 1.00 13.16 N +ATOM 967 C5 A A 44 24.972 14.460 22.094 1.00 12.41 C +ATOM 968 C6 A A 44 23.753 14.797 22.724 1.00 13.52 C +ATOM 969 N6 A A 44 23.034 13.954 23.451 1.00 11.26 N +ATOM 970 N1 A A 44 23.354 16.096 22.546 1.00 15.70 N +ATOM 971 C2 A A 44 24.083 16.978 21.802 1.00 15.78 C +ATOM 972 N3 A A 44 25.236 16.725 21.188 1.00 13.28 N +ATOM 973 C4 A A 44 25.619 15.444 21.366 1.00 15.37 C +ATOM 974 P G A 45 31.541 15.938 23.031 1.00 21.79 P +ATOM 975 OP1 G A 45 32.670 16.911 23.209 1.00 23.16 O +ATOM 976 OP2 G A 45 31.928 14.544 23.386 1.00 18.86 O +ATOM 977 O5' G A 45 30.226 16.489 23.742 1.00 25.81 O +ATOM 978 C5' G A 45 29.699 17.782 23.306 1.00 26.80 C +ATOM 979 C4' G A 45 28.610 18.120 24.308 1.00 23.63 C +ATOM 980 O4' G A 45 27.457 17.361 24.033 1.00 23.89 O +ATOM 981 C3' G A 45 28.970 17.765 25.746 1.00 21.22 C +ATOM 982 O3' G A 45 29.766 18.783 26.344 1.00 24.50 O +ATOM 983 C2' G A 45 27.601 17.619 26.409 1.00 19.23 C +ATOM 984 O2' G A 45 27.148 18.935 26.716 1.00 21.32 O +ATOM 985 C1' G A 45 26.791 17.018 25.277 1.00 19.47 C +ATOM 986 N9 G A 45 26.645 15.556 25.342 1.00 17.65 N +ATOM 987 C8 G A 45 27.471 14.561 24.889 1.00 15.36 C +ATOM 988 N7 G A 45 27.008 13.352 25.083 1.00 12.76 N +ATOM 989 C5 G A 45 25.779 13.566 25.698 1.00 15.59 C +ATOM 990 C6 G A 45 24.786 12.661 26.166 1.00 17.46 C +ATOM 991 O6 G A 45 24.803 11.424 26.118 1.00 18.92 O +ATOM 992 N1 G A 45 23.690 13.268 26.748 1.00 15.79 N +ATOM 993 C2 G A 45 23.570 14.617 26.845 1.00 11.32 C +ATOM 994 N2 G A 45 22.444 15.056 27.427 1.00 9.86 N +ATOM 995 N3 G A 45 24.463 15.511 26.409 1.00 14.42 N +ATOM 996 C4 G A 45 25.539 14.910 25.859 1.00 17.21 C +ATOM 997 P G A 46 30.895 18.485 27.411 1.00 24.75 P +ATOM 998 OP1 G A 46 32.028 19.463 27.362 1.00 34.31 O +ATOM 999 OP2 G A 46 31.345 17.102 27.087 1.00 36.12 O +ATOM 1000 O5' G A 46 30.142 18.598 28.817 1.00 16.31 O +ATOM 1001 C5' G A 46 31.132 18.446 29.867 1.00 20.52 C +ATOM 1002 C4' G A 46 30.429 18.429 31.193 1.00 15.75 C +ATOM 1003 O4' G A 46 29.563 17.316 31.290 1.00 13.39 O +ATOM 1004 C3' G A 46 31.461 18.322 32.340 1.00 13.44 C +ATOM 1005 O3' G A 46 31.045 19.171 33.439 1.00 19.39 O +ATOM 1006 C2' G A 46 31.401 16.827 32.647 1.00 10.98 C +ATOM 1007 O2' G A 46 31.858 16.624 33.956 1.00 18.01 O +ATOM 1008 C1' G A 46 29.962 16.495 32.421 1.00 13.21 C +ATOM 1009 N9 G A 46 29.772 15.073 32.082 1.00 11.97 N +ATOM 1010 C8 G A 46 30.642 14.269 31.403 1.00 13.63 C +ATOM 1011 N7 G A 46 30.215 13.043 31.241 1.00 11.58 N +ATOM 1012 C5 G A 46 28.980 13.032 31.872 1.00 11.10 C +ATOM 1013 C6 G A 46 28.020 11.997 32.049 1.00 7.57 C +ATOM 1014 O6 G A 46 28.080 10.828 31.661 1.00 5.90 O +ATOM 1015 N1 G A 46 26.898 12.380 32.744 1.00 8.38 N +ATOM 1016 C2 G A 46 26.731 13.645 33.213 1.00 13.83 C +ATOM 1017 N2 G A 46 25.579 13.858 33.859 1.00 18.21 N +ATOM 1018 N3 G A 46 27.594 14.651 33.068 1.00 15.33 N +ATOM 1019 C4 G A 46 28.697 14.274 32.389 1.00 11.80 C +ATOM 1020 CM7 G A 46 30.862 11.936 30.579 1.00 11.28 C +ATOM 1021 P U A 47 31.328 20.762 33.229 1.00 16.71 P +ATOM 1022 OP1 U A 47 30.072 21.549 33.423 1.00 16.42 O +ATOM 1023 OP2 U A 47 31.851 20.835 31.839 1.00 9.53 O +ATOM 1024 O5' U A 47 32.431 21.066 34.344 1.00 21.56 O +ATOM 1025 C5' U A 47 33.773 20.593 34.053 1.00 22.87 C +ATOM 1026 C4' U A 47 34.399 20.166 35.362 1.00 23.82 C +ATOM 1027 O4' U A 47 34.932 21.319 36.009 1.00 28.37 O +ATOM 1028 C3' U A 47 33.427 19.531 36.364 1.00 20.32 C +ATOM 1029 O3' U A 47 34.109 18.508 37.108 1.00 17.51 O +ATOM 1030 C2' U A 47 33.057 20.695 37.253 1.00 24.77 C +ATOM 1031 O2' U A 47 32.611 20.245 38.498 1.00 28.72 O +ATOM 1032 C1' U A 47 34.356 21.448 37.318 1.00 28.41 C +ATOM 1033 N1 U A 47 34.119 22.853 37.690 1.00 34.31 N +ATOM 1034 C2 U A 47 34.986 23.410 38.611 1.00 36.46 C +ATOM 1035 O2 U A 47 35.898 22.741 39.096 1.00 33.40 O +ATOM 1036 N3 U A 47 34.782 24.714 38.967 1.00 37.41 N +ATOM 1037 C4 U A 47 33.770 25.462 38.433 1.00 37.38 C +ATOM 1038 O4 U A 47 33.673 26.660 38.821 1.00 40.42 O +ATOM 1039 C5 U A 47 32.890 24.872 37.480 1.00 35.84 C +ATOM 1040 C6 U A 47 33.104 23.590 37.140 1.00 33.82 C +ATOM 1041 P C A 48 33.403 17.136 37.528 1.00 12.71 P +ATOM 1042 OP1 C A 48 34.429 16.231 38.142 1.00 13.81 O +ATOM 1043 OP2 C A 48 32.850 16.624 36.251 1.00 4.91 O +ATOM 1044 O5' C A 48 32.284 17.558 38.579 1.00 9.32 O +ATOM 1045 C5' C A 48 32.031 16.714 39.726 1.00 8.64 C +ATOM 1046 C4' C A 48 30.552 16.371 39.710 1.00 5.36 C +ATOM 1047 O4' C A 48 30.302 15.320 38.805 1.00 8.35 O +ATOM 1048 C3' C A 48 30.049 15.893 41.084 1.00 1.59 C +ATOM 1049 O3' C A 48 28.713 16.371 41.326 1.00 0.00 O +ATOM 1050 C2' C A 48 30.082 14.375 40.922 1.00 4.65 C +ATOM 1051 O2' C A 48 29.203 13.780 41.811 1.00 8.42 O +ATOM 1052 C1' C A 48 29.696 14.212 39.468 1.00 7.30 C +ATOM 1053 N1 C A 48 30.179 12.908 38.999 1.00 6.93 N +ATOM 1054 C2 C A 48 29.346 11.812 39.144 1.00 7.42 C +ATOM 1055 O2 C A 48 28.234 11.919 39.645 1.00 8.37 O +ATOM 1056 N3 C A 48 29.802 10.597 38.708 1.00 10.80 N +ATOM 1057 C4 C A 48 31.032 10.446 38.142 1.00 9.85 C +ATOM 1058 N4 C A 48 31.411 9.226 37.738 1.00 10.53 N +ATOM 1059 C5 C A 48 31.881 11.570 37.997 1.00 8.70 C +ATOM 1060 C6 C A 48 31.418 12.751 38.433 1.00 7.80 C +ATOM 1061 P C A 49 28.367 17.091 42.716 1.00 0.00 P +ATOM 1062 OP1 C A 49 28.883 16.382 43.928 1.00 0.00 O +ATOM 1063 OP2 C A 49 26.878 17.074 42.668 1.00 10.83 O +ATOM 1064 O5' C A 49 29.046 18.513 42.603 1.00 8.20 O +ATOM 1065 C5' C A 49 28.560 19.531 41.682 1.00 5.64 C +ATOM 1066 C4' C A 49 29.036 20.852 42.264 1.00 5.09 C +ATOM 1067 O4' C A 49 28.224 21.223 43.363 1.00 4.65 O +ATOM 1068 C3' C A 49 30.452 20.835 42.829 1.00 8.88 C +ATOM 1069 O3' C A 49 31.471 20.953 41.827 1.00 11.57 O +ATOM 1070 C2' C A 49 30.422 22.010 43.799 1.00 7.00 C +ATOM 1071 O2' C A 49 30.599 23.196 43.023 1.00 10.65 O +ATOM 1072 C1' C A 49 29.010 21.931 44.332 1.00 2.41 C +ATOM 1073 N1 C A 49 29.013 21.274 45.658 1.00 0.00 N +ATOM 1074 C2 C A 49 29.529 22.021 46.708 1.00 3.14 C +ATOM 1075 O2 C A 49 29.956 23.163 46.530 1.00 1.70 O +ATOM 1076 N3 C A 49 29.549 21.448 47.953 1.00 4.30 N +ATOM 1077 C4 C A 49 29.086 20.189 48.163 1.00 0.00 C +ATOM 1078 N4 C A 49 29.130 19.671 49.391 1.00 0.00 N +ATOM 1079 C5 C A 49 28.563 19.441 47.080 1.00 0.00 C +ATOM 1080 C6 C A 49 28.550 20.014 45.868 1.00 0.00 C +ATOM 1081 CM5 C A 49 28.047 18.047 47.322 1.00 2.17 C +ATOM 1082 P U A 50 32.904 20.267 42.134 1.00 0.00 P +ATOM 1083 OP1 U A 50 33.660 20.144 40.857 1.00 13.35 O +ATOM 1084 OP2 U A 50 32.534 18.963 42.749 1.00 10.49 O +ATOM 1085 O5' U A 50 33.576 21.268 43.169 1.00 7.33 O +ATOM 1086 C5' U A 50 33.583 22.707 42.942 1.00 4.60 C +ATOM 1087 C4' U A 50 34.376 23.303 44.090 1.00 0.00 C +ATOM 1088 O4' U A 50 33.540 23.489 45.205 1.00 1.82 O +ATOM 1089 C3' U A 50 35.508 22.404 44.607 1.00 4.48 C +ATOM 1090 O3' U A 50 36.658 22.488 43.783 1.00 3.57 O +ATOM 1091 C2' U A 50 35.695 22.932 46.029 1.00 1.05 C +ATOM 1092 O2' U A 50 36.504 24.096 45.949 1.00 8.34 O +ATOM 1093 C1' U A 50 34.276 23.281 46.417 1.00 0.00 C +ATOM 1094 N1 U A 50 33.656 22.184 47.177 1.00 0.00 N +ATOM 1095 C2 U A 50 33.830 22.151 48.551 1.00 3.12 C +ATOM 1096 O2 U A 50 34.489 23.017 49.116 1.00 5.90 O +ATOM 1097 N3 U A 50 33.250 21.122 49.229 1.00 0.00 N +ATOM 1098 C4 U A 50 32.521 20.155 48.615 1.00 0.00 C +ATOM 1099 O4 U A 50 32.018 19.244 49.343 1.00 4.06 O +ATOM 1100 C5 U A 50 32.347 20.205 47.193 1.00 0.00 C +ATOM 1101 C6 U A 50 32.924 21.217 46.547 1.00 0.00 C +ATOM 1102 P G A 51 38.133 21.948 44.042 1.00 0.00 P +ATOM 1103 OP1 G A 51 39.093 22.600 43.104 1.00 9.19 O +ATOM 1104 OP2 G A 51 38.007 20.498 43.767 1.00 8.40 O +ATOM 1105 O5' G A 51 38.456 22.297 45.577 1.00 0.39 O +ATOM 1106 C5' G A 51 39.552 23.163 45.916 1.00 0.51 C +ATOM 1107 C4' G A 51 39.842 23.022 47.403 1.00 0.23 C +ATOM 1108 O4' G A 51 38.630 22.955 48.147 1.00 3.84 O +ATOM 1109 C3' G A 51 40.602 21.751 47.791 1.00 4.20 C +ATOM 1110 O3' G A 51 42.001 21.864 47.581 1.00 12.57 O +ATOM 1111 C2' G A 51 40.229 21.605 49.278 1.00 6.01 C +ATOM 1112 O2' G A 51 41.078 22.471 50.005 1.00 9.05 O +ATOM 1113 C1' G A 51 38.793 22.106 49.294 1.00 7.48 C +ATOM 1114 N9 G A 51 37.820 20.993 49.294 1.00 11.98 N +ATOM 1115 C8 G A 51 37.204 20.391 48.227 1.00 8.25 C +ATOM 1116 N7 G A 51 36.378 19.430 48.551 1.00 4.30 N +ATOM 1117 C5 G A 51 36.451 19.402 49.941 1.00 0.00 C +ATOM 1118 C6 G A 51 35.795 18.581 50.894 1.00 4.48 C +ATOM 1119 O6 G A 51 34.975 17.681 50.684 1.00 7.97 O +ATOM 1120 N1 G A 51 36.128 18.851 52.203 1.00 3.73 N +ATOM 1121 C2 G A 51 37.014 19.823 52.543 1.00 4.10 C +ATOM 1122 N2 G A 51 37.231 19.964 53.868 1.00 6.12 N +ATOM 1123 N3 G A 51 37.660 20.622 51.686 1.00 6.39 N +ATOM 1124 C4 G A 51 37.331 20.352 50.409 1.00 4.38 C +ATOM 1125 P U A 52 43.056 20.689 47.322 1.00 12.37 P +ATOM 1126 OP1 U A 52 44.372 21.217 46.854 1.00 16.93 O +ATOM 1127 OP2 U A 52 42.427 19.834 46.288 1.00 17.95 O +ATOM 1128 O5' U A 52 43.193 20.037 48.777 1.00 7.70 O +ATOM 1129 C5' U A 52 43.709 20.914 49.811 1.00 8.29 C +ATOM 1130 C4' U A 52 43.466 20.250 51.137 1.00 7.91 C +ATOM 1131 O4' U A 52 42.070 20.256 51.428 1.00 14.10 O +ATOM 1132 C3' U A 52 43.859 18.778 51.234 1.00 7.92 C +ATOM 1133 O3' U A 52 45.258 18.553 51.444 1.00 11.59 O +ATOM 1134 C2' U A 52 42.983 18.305 52.397 1.00 5.26 C +ATOM 1135 O2' U A 52 43.656 18.710 53.577 1.00 0.00 O +ATOM 1136 C1' U A 52 41.721 19.092 52.187 1.00 7.18 C +ATOM 1137 N1 U A 52 40.735 18.260 51.476 1.00 1.28 N +ATOM 1138 C2 U A 52 40.072 17.288 52.203 1.00 1.93 C +ATOM 1139 O2 U A 52 40.298 17.125 53.399 1.00 1.97 O +ATOM 1140 N3 U A 52 39.159 16.512 51.541 1.00 1.62 N +ATOM 1141 C4 U A 52 38.893 16.669 50.215 1.00 6.76 C +ATOM 1142 O4 U A 52 38.033 15.910 49.682 1.00 3.70 O +ATOM 1143 C5 U A 52 39.589 17.681 49.488 1.00 5.38 C +ATOM 1144 C6 U A 52 40.478 18.434 50.151 1.00 0.00 C +ATOM 1145 P G A 53 45.921 17.231 50.781 1.00 17.98 P +ATOM 1146 OP1 G A 53 47.417 17.333 50.846 1.00 26.93 O +ATOM 1147 OP2 G A 53 45.422 17.226 49.391 1.00 17.10 O +ATOM 1148 O5' G A 53 45.375 16.017 51.654 1.00 7.43 O +ATOM 1149 C5' G A 53 46.124 15.623 52.850 1.00 7.82 C +ATOM 1150 C4' G A 53 45.138 14.994 53.803 1.00 9.56 C +ATOM 1151 O4' G A 53 43.843 15.539 53.593 1.00 8.28 O +ATOM 1152 C3' G A 53 44.945 13.487 53.658 1.00 7.57 C +ATOM 1153 O3' G A 53 45.948 12.694 54.288 1.00 10.26 O +ATOM 1154 C2' G A 53 43.563 13.296 54.288 1.00 0.85 C +ATOM 1155 O2' G A 53 43.789 13.257 55.694 1.00 0.00 O +ATOM 1156 C1' G A 53 42.847 14.555 53.852 1.00 0.58 C +ATOM 1157 N9 G A 53 42.050 14.263 52.656 1.00 0.32 N +ATOM 1158 C8 G A 53 42.164 14.831 51.411 1.00 4.73 C +ATOM 1159 N7 G A 53 41.311 14.359 50.539 1.00 5.02 N +ATOM 1160 C5 G A 53 40.588 13.408 51.250 1.00 1.44 C +ATOM 1161 C6 G A 53 39.522 12.554 50.862 1.00 0.00 C +ATOM 1162 O6 G A 53 38.993 12.470 49.747 1.00 1.53 O +ATOM 1163 N1 G A 53 39.059 11.744 51.880 1.00 0.04 N +ATOM 1164 C2 G A 53 39.579 11.767 53.125 1.00 0.66 C +ATOM 1165 N2 G A 53 39.019 10.912 53.997 1.00 0.50 N +ATOM 1166 N3 G A 53 40.578 12.548 53.545 1.00 2.56 N +ATOM 1167 C4 G A 53 41.031 13.341 52.559 1.00 1.75 C +ATOM 1168 N1 U A 54 41.857 8.978 52.284 1.00 0.00 N +ATOM 1169 C2 U A 54 40.798 8.439 51.573 1.00 0.00 C +ATOM 1170 N3 U A 54 40.625 8.860 50.280 1.00 0.00 N +ATOM 1171 C4 U A 54 41.444 9.777 49.698 1.00 0.00 C +ATOM 1172 C5 U A 54 42.523 10.316 50.458 1.00 0.00 C +ATOM 1173 C5M U A 54 43.446 11.328 49.844 1.00 0.00 C +ATOM 1174 C6 U A 54 42.687 9.895 51.718 1.00 0.00 C +ATOM 1175 O2 U A 54 40.042 7.612 52.074 1.00 0.71 O +ATOM 1176 O4 U A 54 41.194 10.103 48.502 1.00 0.00 O +ATOM 1177 C1' U A 54 42.014 8.500 53.674 1.00 3.38 C +ATOM 1178 C2' U A 54 42.910 7.280 53.706 1.00 5.21 C +ATOM 1179 O2' U A 54 42.580 6.364 54.741 1.00 4.00 O +ATOM 1180 C3' U A 54 44.249 7.899 54.110 1.00 8.98 C +ATOM 1181 C4' U A 54 43.819 9.001 55.064 1.00 7.57 C +ATOM 1182 O3' U A 54 45.135 6.949 54.692 1.00 6.80 O +ATOM 1183 O4' U A 54 42.613 9.495 54.514 1.00 7.24 O +ATOM 1184 C5' U A 54 44.835 10.120 55.209 1.00 2.64 C +ATOM 1185 O5' U A 54 45.342 10.288 53.852 1.00 0.43 O +ATOM 1186 P U A 54 46.487 11.345 53.577 1.00 5.60 P +ATOM 1187 OP1 U A 54 47.793 10.940 54.191 1.00 8.01 O +ATOM 1188 OP2 U A 54 46.634 11.750 52.155 1.00 0.00 O +ATOM 1189 N1 U A 55 44.782 8.191 49.391 1.00 0.00 N +ATOM 1190 C2 U A 55 44.459 8.703 48.179 1.00 0.00 C +ATOM 1191 N3 U A 55 43.649 7.893 47.436 1.00 1.25 N +ATOM 1192 C4 U A 55 43.150 6.651 47.791 1.00 0.00 C +ATOM 1193 C5 U A 55 43.546 6.184 49.100 1.00 0.00 C +ATOM 1194 C6 U A 55 44.346 6.977 49.827 1.00 3.80 C +ATOM 1195 O2 U A 55 44.852 9.793 47.775 1.00 0.98 O +ATOM 1196 O4 U A 55 42.430 5.987 47.064 1.00 5.16 O +ATOM 1197 C1' U A 55 43.063 4.852 49.569 1.00 1.54 C +ATOM 1198 C2' U A 55 43.886 3.716 48.987 1.00 0.00 C +ATOM 1199 O2' U A 55 43.086 2.558 48.809 1.00 0.00 O +ATOM 1200 C3' U A 55 44.862 3.446 50.134 1.00 0.13 C +ATOM 1201 C4' U A 55 43.989 3.694 51.363 1.00 0.00 C +ATOM 1202 O3' U A 55 45.428 2.136 50.118 1.00 7.95 O +ATOM 1203 O4' U A 55 43.163 4.779 50.991 1.00 4.08 O +ATOM 1204 C5' U A 55 44.765 4.031 52.607 1.00 2.64 C +ATOM 1205 O5' U A 55 44.938 5.470 52.656 1.00 1.06 O +ATOM 1206 P U A 55 46.011 6.027 53.706 1.00 10.33 P +ATOM 1207 OP1 U A 55 46.671 4.976 54.547 1.00 11.01 O +ATOM 1208 OP2 U A 55 46.980 6.932 53.044 1.00 1.86 O +ATOM 1209 P C A 56 47.040 2.058 49.941 1.00 1.09 P +ATOM 1210 OP1 C A 56 47.607 0.900 50.700 1.00 10.69 O +ATOM 1211 OP2 C A 56 47.507 3.345 50.506 1.00 11.24 O +ATOM 1212 O5' C A 56 47.177 1.951 48.373 1.00 0.00 O +ATOM 1213 C5' C A 56 48.156 2.789 47.710 1.00 0.00 C +ATOM 1214 C4' C A 56 47.963 2.502 46.239 1.00 0.00 C +ATOM 1215 O4' C A 56 47.670 1.136 46.046 1.00 0.00 O +ATOM 1216 C3' C A 56 46.787 3.250 45.609 1.00 4.26 C +ATOM 1217 O3' C A 56 47.114 4.610 45.302 1.00 6.56 O +ATOM 1218 C2' C A 56 46.481 2.378 44.397 1.00 0.33 C +ATOM 1219 O2' C A 56 47.410 2.710 43.363 1.00 8.88 O +ATOM 1220 C1' C A 56 46.771 0.989 44.930 1.00 0.00 C +ATOM 1221 N1 C A 56 45.511 0.337 45.334 1.00 0.00 N +ATOM 1222 C2 C A 56 44.635 0.000 44.316 1.00 0.00 C +ATOM 1223 O2 C A 56 44.905 0.247 43.153 1.00 0.00 O +ATOM 1224 N3 C A 56 43.466 -0.613 44.656 1.00 0.00 N +ATOM 1225 C4 C A 56 43.150 -0.894 45.949 1.00 0.00 C +ATOM 1226 N4 C A 56 41.981 -1.495 46.207 1.00 0.57 N +ATOM 1227 C5 C A 56 44.056 -0.545 46.983 1.00 0.00 C +ATOM 1228 C6 C A 56 45.202 0.056 46.644 1.00 0.00 C +ATOM 1229 P G A 57 46.184 5.847 45.755 1.00 0.00 P +ATOM 1230 OP1 G A 57 46.887 7.134 45.447 1.00 10.63 O +ATOM 1231 OP2 G A 57 45.994 5.689 47.225 1.00 0.00 O +ATOM 1232 O5' G A 57 44.909 5.661 44.817 1.00 0.00 O +ATOM 1233 C5' G A 57 45.092 5.898 43.395 1.00 0.00 C +ATOM 1234 C4' G A 57 43.859 5.346 42.716 1.00 3.53 C +ATOM 1235 O4' G A 57 43.733 3.964 42.975 1.00 5.63 O +ATOM 1236 C3' G A 57 42.530 5.931 43.185 1.00 3.57 C +ATOM 1237 O3' G A 57 42.250 7.202 42.571 1.00 3.71 O +ATOM 1238 C2' G A 57 41.538 4.846 42.781 1.00 0.64 C +ATOM 1239 O2' G A 57 41.261 4.970 41.391 1.00 2.20 O +ATOM 1240 C1' G A 57 42.344 3.592 43.039 1.00 0.00 C +ATOM 1241 N9 G A 57 41.997 2.974 44.332 1.00 0.00 N +ATOM 1242 C8 G A 57 42.697 2.935 45.496 1.00 0.00 C +ATOM 1243 N7 G A 57 42.087 2.277 46.466 1.00 0.00 N +ATOM 1244 C5 G A 57 40.898 1.844 45.868 1.00 0.00 C +ATOM 1245 C6 G A 57 39.812 1.085 46.369 1.00 0.00 C +ATOM 1246 O6 G A 57 39.679 0.618 47.516 1.00 0.00 O +ATOM 1247 N1 G A 57 38.806 0.866 45.480 1.00 0.00 N +ATOM 1248 C2 G A 57 38.853 1.332 44.203 1.00 0.00 C +ATOM 1249 N2 G A 57 37.797 1.040 43.411 1.00 0.00 N +ATOM 1250 N3 G A 57 39.845 2.046 43.670 1.00 0.00 N +ATOM 1251 C4 G A 57 40.835 2.266 44.559 1.00 0.00 C +ATOM 1252 P A A 58 41.821 8.388 43.589 1.00 0.00 P +ATOM 1253 OP1 A A 58 42.247 9.692 42.991 1.00 0.42 O +ATOM 1254 OP2 A A 58 42.540 8.045 44.833 1.00 0.00 O +ATOM 1255 O5' A A 58 40.255 8.203 43.734 1.00 0.00 O +ATOM 1256 C5' A A 58 39.449 7.657 42.684 1.00 0.00 C +ATOM 1257 C4' A A 58 38.010 8.045 42.991 1.00 0.08 C +ATOM 1258 O4' A A 58 37.560 7.314 44.122 1.00 0.00 O +ATOM 1259 C3' A A 58 37.804 9.529 43.314 1.00 0.00 C +ATOM 1260 O3' A A 58 36.528 10.007 42.862 1.00 1.72 O +ATOM 1261 C2' A A 58 37.793 9.529 44.849 1.00 0.88 C +ATOM 1262 O2' A A 58 37.127 10.659 45.318 1.00 0.00 O +ATOM 1263 C1' A A 58 37.101 8.225 45.140 1.00 0.00 C +ATOM 1264 N9 A A 58 37.404 7.792 46.514 1.00 0.00 N +ATOM 1265 C8 A A 58 38.500 8.039 47.274 1.00 0.00 C +ATOM 1266 N7 A A 58 38.440 7.505 48.470 1.00 0.31 N +ATOM 1267 C5 A A 58 37.207 6.859 48.486 1.00 0.00 C +ATOM 1268 C6 A A 58 36.558 6.100 49.488 1.00 0.00 C +ATOM 1269 N6 A A 58 37.064 5.852 50.684 1.00 0.00 N +ATOM 1270 N1 A A 58 35.332 5.616 49.132 1.00 0.00 N +ATOM 1271 CM1 A A 58 34.606 4.829 50.102 1.00 0.00 C +ATOM 1272 C2 A A 58 34.789 5.852 47.920 1.00 0.00 C +ATOM 1273 N3 A A 58 35.342 6.555 46.934 1.00 0.00 N +ATOM 1274 C4 A A 58 36.554 7.033 47.290 1.00 0.00 C +ATOM 1275 P U A 59 36.041 9.968 41.342 1.00 19.38 P +ATOM 1276 OP1 U A 59 36.288 8.652 40.680 1.00 21.40 O +ATOM 1277 OP2 U A 59 36.818 11.064 40.696 1.00 20.54 O +ATOM 1278 O5' U A 59 34.476 10.294 41.456 1.00 13.10 O +ATOM 1279 C5' U A 59 34.109 11.699 41.536 1.00 12.06 C +ATOM 1280 C4' U A 59 32.810 11.761 42.312 1.00 9.41 C +ATOM 1281 O4' U A 59 31.724 11.351 41.504 1.00 11.15 O +ATOM 1282 C3' U A 59 32.767 10.822 43.524 1.00 7.99 C +ATOM 1283 O3' U A 59 33.460 11.379 44.623 1.00 3.26 O +ATOM 1284 C2' U A 59 31.265 10.659 43.718 1.00 5.68 C +ATOM 1285 O2' U A 59 30.832 11.812 44.429 1.00 6.83 O +ATOM 1286 C1' U A 59 30.742 10.670 42.296 1.00 8.66 C +ATOM 1287 N1 U A 59 30.492 9.304 41.811 1.00 9.07 N +ATOM 1288 C2 U A 59 29.396 8.647 42.344 1.00 13.23 C +ATOM 1289 O2 U A 59 28.683 9.186 43.201 1.00 15.49 O +ATOM 1290 N3 U A 59 29.130 7.382 41.908 1.00 17.81 N +ATOM 1291 C4 U A 59 29.906 6.758 40.987 1.00 16.30 C +ATOM 1292 O4 U A 59 29.563 5.577 40.647 1.00 16.87 O +ATOM 1293 C5 U A 59 31.025 7.449 40.437 1.00 11.35 C +ATOM 1294 C6 U A 59 31.268 8.692 40.874 1.00 10.61 C +ATOM 1295 P C A 60 33.340 11.098 46.175 1.00 0.00 P +ATOM 1296 OP1 C A 60 33.413 12.396 46.934 1.00 3.78 O +ATOM 1297 OP2 C A 60 34.513 10.232 46.466 1.00 7.82 O +ATOM 1298 O5' C A 60 31.981 10.339 46.482 1.00 0.00 O +ATOM 1299 C5' C A 60 31.851 9.990 47.888 1.00 0.00 C +ATOM 1300 C4' C A 60 30.845 8.866 48.001 1.00 0.00 C +ATOM 1301 O4' C A 60 30.609 8.292 46.724 1.00 1.74 O +ATOM 1302 C3' C A 60 31.328 7.719 48.906 1.00 0.00 C +ATOM 1303 O3' C A 60 30.226 7.196 49.666 1.00 0.00 O +ATOM 1304 C2' C A 60 31.858 6.718 47.888 1.00 0.00 C +ATOM 1305 O2' C A 60 31.854 5.453 48.486 1.00 1.57 O +ATOM 1306 C1' C A 60 30.908 6.887 46.741 1.00 0.00 C +ATOM 1307 N1 C A 60 31.515 6.465 45.480 1.00 0.00 N +ATOM 1308 C2 C A 60 31.008 5.346 44.833 1.00 0.00 C +ATOM 1309 O2 C A 60 30.066 4.728 45.318 1.00 2.85 O +ATOM 1310 N3 C A 60 31.578 4.964 43.654 1.00 0.00 N +ATOM 1311 C4 C A 60 32.620 5.639 43.104 1.00 0.00 C +ATOM 1312 N4 C A 60 33.147 5.223 41.957 1.00 0.00 N +ATOM 1313 C5 C A 60 33.143 6.786 43.767 1.00 2.56 C +ATOM 1314 C6 C A 60 32.567 7.151 44.930 1.00 3.95 C +ATOM 1315 P C A 61 29.733 8.118 50.910 1.00 7.49 P +ATOM 1316 OP1 C A 61 28.360 7.730 51.347 1.00 10.82 O +ATOM 1317 OP2 C A 61 29.769 9.479 50.312 1.00 6.11 O +ATOM 1318 O5' C A 61 30.808 7.899 52.058 1.00 10.45 O +ATOM 1319 C5' C A 61 31.291 6.589 52.462 1.00 9.37 C +ATOM 1320 C4' C A 61 32.501 6.864 53.335 1.00 10.13 C +ATOM 1321 O4' C A 61 33.693 6.696 52.607 1.00 10.76 O +ATOM 1322 C3' C A 61 32.554 8.321 53.836 1.00 12.52 C +ATOM 1323 O3' C A 61 31.688 8.500 54.935 1.00 9.41 O +ATOM 1324 C2' C A 61 34.043 8.495 54.143 1.00 11.10 C +ATOM 1325 O2' C A 61 34.299 7.916 55.419 1.00 9.69 O +ATOM 1326 C1' C A 61 34.676 7.657 53.044 1.00 5.41 C +ATOM 1327 N1 C A 61 35.115 8.461 51.896 1.00 0.00 N +ATOM 1328 C2 C A 61 36.278 9.192 52.042 1.00 0.00 C +ATOM 1329 O2 C A 61 36.904 9.181 53.092 1.00 0.00 O +ATOM 1330 N3 C A 61 36.698 9.928 50.975 1.00 0.00 N +ATOM 1331 C4 C A 61 36.011 9.957 49.795 1.00 0.02 C +ATOM 1332 N4 C A 61 36.488 10.699 48.793 1.00 0.00 N +ATOM 1333 C5 C A 61 34.819 9.198 49.666 1.00 0.54 C +ATOM 1334 C6 C A 61 34.423 8.478 50.716 1.00 0.00 C +ATOM 1335 P A A 62 31.598 9.715 55.969 1.00 0.00 P +ATOM 1336 OP1 A A 62 30.669 9.321 57.084 1.00 13.83 O +ATOM 1337 OP2 A A 62 31.052 10.839 55.161 1.00 3.90 O +ATOM 1338 O5' A A 62 33.083 9.928 56.470 1.00 5.65 O +ATOM 1339 C5' A A 62 33.403 9.720 57.876 1.00 7.49 C +ATOM 1340 C4' A A 62 34.706 10.474 58.070 1.00 6.76 C +ATOM 1341 O4' A A 62 35.545 10.215 56.971 1.00 6.26 O +ATOM 1342 C3' A A 62 34.569 11.986 58.102 1.00 11.20 C +ATOM 1343 O3' A A 62 34.173 12.498 59.379 1.00 15.08 O +ATOM 1344 C2' A A 62 35.965 12.441 57.682 1.00 6.66 C +ATOM 1345 O2' A A 62 36.804 12.357 58.830 1.00 13.43 O +ATOM 1346 C1' A A 62 36.328 11.379 56.680 1.00 2.51 C +ATOM 1347 N9 A A 62 36.065 11.879 55.322 1.00 1.03 N +ATOM 1348 C8 A A 62 35.142 11.452 54.417 1.00 0.95 C +ATOM 1349 N7 A A 62 35.172 12.121 53.270 1.00 0.87 N +ATOM 1350 C5 A A 62 36.188 13.049 53.464 1.00 0.00 C +ATOM 1351 C6 A A 62 36.711 14.055 52.624 1.00 2.21 C +ATOM 1352 N6 A A 62 36.281 14.302 51.395 1.00 2.87 N +ATOM 1353 N1 A A 62 37.730 14.797 53.157 1.00 3.05 N +ATOM 1354 C2 A A 62 38.197 14.567 54.417 1.00 3.86 C +ATOM 1355 N3 A A 62 37.750 13.639 55.258 1.00 0.41 N +ATOM 1356 C4 A A 62 36.744 12.914 54.724 1.00 0.00 C +ATOM 1357 P C A 63 32.847 13.431 59.411 1.00 11.17 P +ATOM 1358 OP1 C A 63 32.074 13.060 60.640 1.00 24.93 O +ATOM 1359 OP2 C A 63 32.118 13.111 58.167 1.00 9.41 O +ATOM 1360 O5' C A 63 33.453 14.898 59.476 1.00 8.59 O +ATOM 1361 C5' C A 63 34.502 15.129 60.446 1.00 8.21 C +ATOM 1362 C4' C A 63 35.462 16.135 59.848 1.00 11.64 C +ATOM 1363 O4' C A 63 36.065 15.590 58.684 1.00 6.82 O +ATOM 1364 C3' C A 63 34.819 17.445 59.379 1.00 9.87 C +ATOM 1365 O3' C A 63 34.582 18.389 60.414 1.00 12.92 O +ATOM 1366 C2' C A 63 35.845 17.917 58.345 1.00 11.37 C +ATOM 1367 O2' C A 63 36.897 18.541 59.088 1.00 12.44 O +ATOM 1368 C1' C A 63 36.321 16.619 57.731 1.00 4.28 C +ATOM 1369 N1 C A 63 35.595 16.456 56.454 1.00 3.35 N +ATOM 1370 C2 C A 63 36.131 17.085 55.339 1.00 0.67 C +ATOM 1371 O2 C A 63 37.171 17.737 55.436 1.00 0.00 O +ATOM 1372 N3 C A 63 35.468 16.945 54.159 1.00 0.00 N +ATOM 1373 C4 C A 63 34.316 16.219 54.046 1.00 0.00 C +ATOM 1374 N4 C A 63 33.716 16.124 52.866 1.00 0.00 N +ATOM 1375 C5 C A 63 33.773 15.584 55.193 1.00 0.00 C +ATOM 1376 C6 C A 63 34.439 15.730 56.357 1.00 1.15 C +ATOM 1377 P A A 64 33.427 19.508 60.381 1.00 29.16 P +ATOM 1378 OP1 A A 64 33.257 20.166 61.723 1.00 22.93 O +ATOM 1379 OP2 A A 64 32.197 18.766 59.993 1.00 29.67 O +ATOM 1380 O5' A A 64 33.893 20.599 59.298 1.00 13.19 O +ATOM 1381 C5' A A 64 34.536 21.796 59.832 1.00 11.86 C +ATOM 1382 C4' A A 64 35.309 22.426 58.684 1.00 9.56 C +ATOM 1383 O4' A A 64 35.835 21.437 57.828 1.00 10.56 O +ATOM 1384 C3' A A 64 34.459 23.298 57.763 1.00 9.53 C +ATOM 1385 O3' A A 64 34.179 24.596 58.313 1.00 6.01 O +ATOM 1386 C2' A A 64 35.285 23.320 56.486 1.00 9.55 C +ATOM 1387 O2' A A 64 36.328 24.264 56.696 1.00 13.78 O +ATOM 1388 C1' A A 64 35.832 21.920 56.486 1.00 10.59 C +ATOM 1389 N9 A A 64 34.945 21.099 55.646 1.00 9.66 N +ATOM 1390 C8 A A 64 34.213 20.003 56.050 1.00 8.00 C +ATOM 1391 N7 A A 64 33.503 19.475 55.080 1.00 9.86 N +ATOM 1392 C5 A A 64 33.786 20.273 53.981 1.00 6.12 C +ATOM 1393 C6 A A 64 33.330 20.217 52.640 1.00 7.34 C +ATOM 1394 N6 A A 64 32.484 19.300 52.187 1.00 4.78 N +ATOM 1395 N1 A A 64 33.823 21.184 51.815 1.00 6.33 N +ATOM 1396 C2 A A 64 34.696 22.134 52.268 1.00 8.33 C +ATOM 1397 N3 A A 64 35.165 22.241 53.512 1.00 10.73 N +ATOM 1398 C4 A A 64 34.666 21.279 54.320 1.00 9.34 C +ATOM 1399 P G A 65 32.620 24.596 58.813 1.00 15.79 P +ATOM 1400 OP1 G A 65 32.494 25.395 60.074 1.00 16.85 O +ATOM 1401 OP2 G A 65 32.334 23.151 59.024 1.00 11.11 O +ATOM 1402 O5' G A 65 31.888 25.232 57.553 1.00 11.06 O +ATOM 1403 C5' G A 65 32.317 26.564 57.214 1.00 9.01 C +ATOM 1404 C4' G A 65 32.814 26.575 55.775 1.00 5.09 C +ATOM 1405 O4' G A 65 33.303 25.310 55.355 1.00 8.92 O +ATOM 1406 C3' G A 65 31.711 26.901 54.757 1.00 0.42 C +ATOM 1407 O3' G A 65 31.378 28.295 54.724 1.00 0.15 O +ATOM 1408 C2' G A 65 32.301 26.345 53.480 1.00 1.10 C +ATOM 1409 O2' G A 65 33.217 27.329 52.995 1.00 0.00 O +ATOM 1410 C1' G A 65 33.020 25.114 53.965 1.00 6.67 C +ATOM 1411 N9 G A 65 32.107 23.989 53.706 1.00 3.03 N +ATOM 1412 C8 G A 65 31.561 23.106 54.611 1.00 0.12 C +ATOM 1413 N7 G A 65 30.768 22.224 54.062 1.00 2.15 N +ATOM 1414 C5 G A 65 30.788 22.544 52.704 1.00 0.00 C +ATOM 1415 C6 G A 65 30.135 21.959 51.589 1.00 1.19 C +ATOM 1416 O6 G A 65 29.373 20.987 51.589 1.00 8.55 O +ATOM 1417 N1 G A 65 30.402 22.561 50.393 1.00 0.00 N +ATOM 1418 C2 G A 65 31.232 23.635 50.280 1.00 0.00 C +ATOM 1419 N2 G A 65 31.381 24.101 49.035 1.00 0.00 N +ATOM 1420 N3 G A 65 31.868 24.225 51.298 1.00 0.00 N +ATOM 1421 C4 G A 65 31.604 23.629 52.478 1.00 0.00 C +ATOM 1422 P A A 66 29.776 28.571 54.902 1.00 2.97 P +ATOM 1423 OP1 A A 66 29.596 29.858 55.646 1.00 8.00 O +ATOM 1424 OP2 A A 66 29.279 27.430 55.694 1.00 1.20 O +ATOM 1425 O5' A A 66 29.263 28.594 53.383 1.00 0.00 O +ATOM 1426 C5' A A 66 29.972 29.465 52.462 1.00 0.00 C +ATOM 1427 C4' A A 66 29.626 29.116 51.040 1.00 0.34 C +ATOM 1428 O4' A A 66 30.052 27.795 50.732 1.00 3.47 O +ATOM 1429 C3' A A 66 28.134 29.094 50.716 1.00 2.03 C +ATOM 1430 O3' A A 66 27.581 30.387 50.474 1.00 3.00 O +ATOM 1431 C2' A A 66 28.070 28.189 49.472 1.00 0.26 C +ATOM 1432 O2' A A 66 28.437 28.976 48.357 1.00 0.00 O +ATOM 1433 C1' A A 66 29.143 27.188 49.795 1.00 0.00 C +ATOM 1434 N9 A A 66 28.563 25.979 50.409 1.00 0.00 N +ATOM 1435 C8 A A 66 28.577 25.631 51.735 1.00 0.00 C +ATOM 1436 N7 A A 66 27.990 24.484 51.977 1.00 0.00 N +ATOM 1437 C5 A A 66 27.557 24.056 50.732 1.00 0.30 C +ATOM 1438 C6 A A 66 26.858 22.893 50.328 1.00 0.00 C +ATOM 1439 N6 A A 66 26.468 21.943 51.153 1.00 0.00 N +ATOM 1440 N1 A A 66 26.601 22.803 48.987 1.00 0.00 N +ATOM 1441 C2 A A 66 27.001 23.775 48.114 1.00 0.12 C +ATOM 1442 N3 A A 66 27.661 24.889 48.421 1.00 0.00 N +ATOM 1443 C4 A A 66 27.907 24.967 49.747 1.00 0.18 C +ATOM 1444 P A A 67 26.072 30.651 50.991 1.00 14.15 P +ATOM 1445 OP1 A A 67 25.872 32.135 51.153 1.00 15.31 O +ATOM 1446 OP2 A A 67 25.985 29.943 52.300 1.00 0.00 O +ATOM 1447 O5' A A 67 25.186 30.021 49.827 1.00 3.37 O +ATOM 1448 C5' A A 67 25.272 30.494 48.454 1.00 2.77 C +ATOM 1449 C4' A A 67 24.520 29.487 47.613 1.00 8.12 C +ATOM 1450 O4' A A 67 25.169 28.228 47.710 1.00 11.83 O +ATOM 1451 C3' A A 67 23.080 29.218 48.034 1.00 10.99 C +ATOM 1452 O3' A A 67 22.121 30.168 47.565 1.00 5.85 O +ATOM 1453 C2' A A 67 22.847 27.812 47.452 1.00 9.78 C +ATOM 1454 O2' A A 67 22.531 27.969 46.078 1.00 7.59 O +ATOM 1455 C1' A A 67 24.210 27.177 47.646 1.00 6.70 C +ATOM 1456 N9 A A 67 24.163 26.378 48.874 1.00 0.00 N +ATOM 1457 C8 A A 67 24.626 26.727 50.118 1.00 0.00 C +ATOM 1458 N7 A A 67 24.440 25.805 51.023 1.00 0.00 N +ATOM 1459 C5 A A 67 23.800 24.776 50.328 1.00 2.64 C +ATOM 1460 C6 A A 67 23.334 23.506 50.749 1.00 0.00 C +ATOM 1461 N6 A A 67 23.434 23.039 51.993 1.00 0.00 N +ATOM 1462 N1 A A 67 22.747 22.758 49.779 1.00 0.00 N +ATOM 1463 C2 A A 67 22.628 23.208 48.486 1.00 0.00 C +ATOM 1464 N3 A A 67 23.051 24.388 48.034 1.00 2.05 N +ATOM 1465 C4 A A 67 23.627 25.119 49.003 1.00 1.40 C +ATOM 1466 P U A 68 20.892 30.623 48.502 1.00 5.45 P +ATOM 1467 OP1 U A 68 20.409 31.983 48.098 1.00 15.56 O +ATOM 1468 OP2 U A 68 21.428 30.595 49.892 1.00 0.71 O +ATOM 1469 O5' U A 68 19.773 29.521 48.227 1.00 13.99 O +ATOM 1470 C5' U A 68 19.500 29.263 46.821 1.00 15.33 C +ATOM 1471 C4' U A 68 18.947 27.857 46.724 1.00 11.41 C +ATOM 1472 O4' U A 68 19.946 26.913 47.080 1.00 5.34 O +ATOM 1473 C3' U A 68 17.781 27.570 47.678 1.00 10.61 C +ATOM 1474 O3' U A 68 16.512 28.059 47.209 1.00 12.58 O +ATOM 1475 C2' U A 68 17.844 26.047 47.775 1.00 8.89 C +ATOM 1476 O2' U A 68 17.191 25.529 46.611 1.00 14.50 O +ATOM 1477 C1' U A 68 19.346 25.799 47.726 1.00 3.33 C +ATOM 1478 N1 U A 68 19.740 25.619 49.132 1.00 5.06 N +ATOM 1479 C2 U A 68 19.366 24.416 49.714 1.00 7.94 C +ATOM 1480 O2 U A 68 18.757 23.562 49.068 1.00 8.66 O +ATOM 1481 N3 U A 68 19.706 24.220 51.023 1.00 1.82 N +ATOM 1482 C4 U A 68 20.382 25.158 51.751 1.00 1.17 C +ATOM 1483 O4 U A 68 20.642 24.866 52.947 1.00 2.33 O +ATOM 1484 C5 U A 68 20.749 26.384 51.120 1.00 0.00 C +ATOM 1485 C6 U A 68 20.409 26.564 49.844 1.00 1.22 C +ATOM 1486 P U A 69 15.506 28.712 48.308 1.00 16.15 P +ATOM 1487 OP1 U A 69 14.440 29.493 47.613 1.00 4.70 O +ATOM 1488 OP2 U A 69 16.362 29.560 49.165 1.00 6.55 O +ATOM 1489 O5' U A 69 14.923 27.435 49.084 1.00 9.24 O +ATOM 1490 C5' U A 69 13.993 26.586 48.340 1.00 11.14 C +ATOM 1491 C4' U A 69 13.907 25.293 49.132 1.00 11.93 C +ATOM 1492 O4' U A 69 15.219 24.827 49.391 1.00 9.85 O +ATOM 1493 C3' U A 69 13.254 25.417 50.506 1.00 14.96 C +ATOM 1494 O3' U A 69 11.825 25.395 50.474 1.00 18.44 O +ATOM 1495 C2' U A 69 13.850 24.208 51.234 1.00 10.35 C +ATOM 1496 O2' U A 69 13.081 23.078 50.846 1.00 10.10 O +ATOM 1497 C1' U A 69 15.246 24.169 50.652 1.00 8.52 C +ATOM 1498 N1 U A 69 16.162 24.844 51.589 1.00 6.23 N +ATOM 1499 C2 U A 69 16.618 24.130 52.672 1.00 7.37 C +ATOM 1500 O2 U A 69 16.269 22.966 52.850 1.00 4.14 O +ATOM 1501 N3 U A 69 17.468 24.771 53.528 1.00 13.59 N +ATOM 1502 C4 U A 69 17.868 26.058 53.351 1.00 11.26 C +ATOM 1503 O4 U A 69 18.657 26.558 54.207 1.00 11.67 O +ATOM 1504 C5 U A 69 17.381 26.778 52.219 1.00 9.01 C +ATOM 1505 C6 U A 69 16.548 26.142 51.395 1.00 9.28 C +ATOM 1506 P C A 70 10.942 26.227 51.525 1.00 20.19 P +ATOM 1507 OP1 C A 70 9.633 26.615 50.910 1.00 23.18 O +ATOM 1508 OP2 C A 70 11.792 27.407 51.848 1.00 23.85 O +ATOM 1509 O5' C A 70 10.766 25.215 52.753 1.00 18.48 O +ATOM 1510 C5' C A 70 9.710 24.220 52.769 1.00 18.36 C +ATOM 1511 C4' C A 70 10.086 23.225 53.852 1.00 16.55 C +ATOM 1512 O4' C A 70 11.479 22.938 53.771 1.00 20.18 O +ATOM 1513 C3' C A 70 9.893 23.702 55.274 1.00 17.86 C +ATOM 1514 O3' C A 70 8.544 23.601 55.759 1.00 19.20 O +ATOM 1515 C2' C A 70 10.862 22.803 56.050 1.00 18.99 C +ATOM 1516 O2' C A 70 10.219 21.549 56.228 1.00 21.45 O +ATOM 1517 C1' C A 70 12.005 22.679 55.064 1.00 16.52 C +ATOM 1518 N1 C A 70 13.051 23.646 55.436 1.00 12.39 N +ATOM 1519 C2 C A 70 13.927 23.275 56.438 1.00 19.05 C +ATOM 1520 O2 C A 70 13.830 22.184 57.003 1.00 20.39 O +ATOM 1521 N3 C A 70 14.906 24.163 56.793 1.00 18.84 N +ATOM 1522 C4 C A 70 15.023 25.378 56.195 1.00 21.95 C +ATOM 1523 N4 C A 70 15.995 26.204 56.583 1.00 22.46 N +ATOM 1524 C5 C A 70 14.117 25.749 55.161 1.00 20.70 C +ATOM 1525 C6 C A 70 13.164 24.861 54.821 1.00 14.92 C +ATOM 1526 P G A 71 8.071 24.759 56.809 1.00 27.09 P +ATOM 1527 OP1 G A 71 6.575 24.838 56.809 1.00 29.37 O +ATOM 1528 OP2 G A 71 8.711 25.985 56.276 1.00 25.13 O +ATOM 1529 O5' G A 71 8.647 24.321 58.232 1.00 22.21 O +ATOM 1530 C5' G A 71 8.138 23.095 58.813 1.00 25.96 C +ATOM 1531 C4' G A 71 9.064 22.747 59.961 1.00 25.18 C +ATOM 1532 O4' G A 71 10.373 22.499 59.476 1.00 25.51 O +ATOM 1533 C3' G A 71 9.240 23.860 60.979 1.00 26.36 C +ATOM 1534 O3' G A 71 8.161 23.950 61.917 1.00 28.99 O +ATOM 1535 C2' G A 71 10.573 23.483 61.626 1.00 25.65 C +ATOM 1536 O2' G A 71 10.296 22.460 62.579 1.00 26.25 O +ATOM 1537 C1' G A 71 11.322 22.938 60.446 1.00 24.32 C +ATOM 1538 N9 G A 71 12.165 24.012 59.896 1.00 22.16 N +ATOM 1539 C8 G A 71 11.955 24.720 58.733 1.00 19.05 C +ATOM 1540 N7 G A 71 12.868 25.625 58.506 1.00 16.20 N +ATOM 1541 C5 G A 71 13.737 25.507 59.589 1.00 17.04 C +ATOM 1542 C6 G A 71 14.926 26.210 59.912 1.00 18.37 C +ATOM 1543 O6 G A 71 15.456 27.121 59.266 1.00 20.31 O +ATOM 1544 N1 G A 71 15.516 25.805 61.092 1.00 17.37 N +ATOM 1545 C2 G A 71 15.000 24.810 61.868 1.00 16.19 C +ATOM 1546 N2 G A 71 15.719 24.557 62.967 1.00 18.04 N +ATOM 1547 N3 G A 71 13.890 24.118 61.610 1.00 11.69 N +ATOM 1548 C4 G A 71 13.314 24.517 60.446 1.00 17.46 C +ATOM 1549 P C A 72 7.705 25.456 62.321 1.00 30.95 P +ATOM 1550 OP1 C A 72 6.309 25.406 62.854 1.00 27.88 O +ATOM 1551 OP2 C A 72 7.828 26.215 61.044 1.00 29.12 O +ATOM 1552 O5' C A 72 8.797 25.822 63.420 1.00 16.81 O +ATOM 1553 C5' C A 72 8.887 24.816 64.470 1.00 21.29 C +ATOM 1554 C4' C A 72 10.163 25.069 65.230 1.00 20.33 C +ATOM 1555 O4' C A 72 11.279 24.877 64.389 1.00 24.21 O +ATOM 1556 C3' C A 72 10.329 26.491 65.779 1.00 22.82 C +ATOM 1557 O3' C A 72 9.623 26.733 66.992 1.00 25.84 O +ATOM 1558 C2' C A 72 11.842 26.575 65.925 1.00 27.18 C +ATOM 1559 O2' C A 72 12.158 25.934 67.169 1.00 29.23 O +ATOM 1560 C1' C A 72 12.328 25.771 64.745 1.00 25.74 C +ATOM 1561 N1 C A 72 12.668 26.699 63.662 1.00 25.00 N +ATOM 1562 C2 C A 72 13.794 27.492 63.808 1.00 24.31 C +ATOM 1563 O2 C A 72 14.480 27.407 64.826 1.00 25.98 O +ATOM 1564 N3 C A 72 14.103 28.352 62.806 1.00 22.66 N +ATOM 1565 C4 C A 72 13.351 28.447 61.674 1.00 24.65 C +ATOM 1566 N4 C A 72 13.707 29.313 60.721 1.00 27.48 N +ATOM 1567 C5 C A 72 12.195 27.632 61.529 1.00 27.22 C +ATOM 1568 C6 C A 72 11.902 26.789 62.531 1.00 27.68 C +ATOM 1569 P A A 73 9.097 28.234 67.315 1.00 27.45 P +ATOM 1570 OP1 A A 73 8.168 28.222 68.478 1.00 24.27 O +ATOM 1571 OP2 A A 73 8.401 28.633 66.054 1.00 24.10 O +ATOM 1572 O5' A A 73 10.436 29.043 67.606 1.00 24.19 O +ATOM 1573 C5' A A 73 11.199 28.745 68.802 1.00 27.37 C +ATOM 1574 C4' A A 73 12.411 29.656 68.769 1.00 29.49 C +ATOM 1575 O4' A A 73 13.251 29.291 67.670 1.00 29.13 O +ATOM 1576 C3' A A 73 12.101 31.129 68.527 1.00 32.07 C +ATOM 1577 O3' A A 73 11.682 31.832 69.690 1.00 34.60 O +ATOM 1578 C2' A A 73 13.424 31.646 67.945 1.00 29.01 C +ATOM 1579 O2' A A 73 14.297 31.894 69.044 1.00 27.53 O +ATOM 1580 C1' A A 73 13.890 30.454 67.137 1.00 28.43 C +ATOM 1581 N9 A A 73 13.554 30.679 65.731 1.00 26.68 N +ATOM 1582 C8 A A 73 12.518 30.151 65.004 1.00 24.43 C +ATOM 1583 N7 A A 73 12.495 30.550 63.743 1.00 23.16 N +ATOM 1584 C5 A A 73 13.590 31.404 63.646 1.00 19.93 C +ATOM 1585 C6 A A 73 14.103 32.152 62.563 1.00 20.89 C +ATOM 1586 N6 A A 73 13.574 32.163 61.351 1.00 24.41 N +ATOM 1587 N1 A A 73 15.219 32.889 62.838 1.00 21.91 N +ATOM 1588 C2 A A 73 15.779 32.894 64.082 1.00 24.59 C +ATOM 1589 N3 A A 73 15.349 32.214 65.149 1.00 24.25 N +ATOM 1590 C4 A A 73 14.250 31.489 64.858 1.00 22.52 C +ATOM 1591 P C A 74 10.693 33.102 69.480 1.00 39.69 P +ATOM 1592 OP1 C A 74 10.103 33.513 70.790 1.00 29.46 O +ATOM 1593 OP2 C A 74 9.677 32.602 68.511 1.00 29.74 O +ATOM 1594 O5' C A 74 11.682 34.204 68.866 1.00 37.49 O +ATOM 1595 C5' C A 74 13.078 34.165 69.270 1.00 34.40 C +ATOM 1596 C4' C A 74 13.850 35.064 68.333 1.00 33.09 C +ATOM 1597 O4' C A 74 14.040 34.435 67.072 1.00 34.22 O +ATOM 1598 C3' C A 74 13.144 36.386 68.010 1.00 31.87 C +ATOM 1599 O3' C A 74 13.317 37.330 69.044 1.00 30.07 O +ATOM 1600 C2' C A 74 13.804 36.779 66.684 1.00 33.18 C +ATOM 1601 O2' C A 74 15.036 37.409 67.008 1.00 34.33 O +ATOM 1602 C1' C A 74 14.027 35.419 66.022 1.00 31.93 C +ATOM 1603 N1 C A 74 12.991 35.154 65.004 1.00 28.12 N +ATOM 1604 C2 C A 74 13.161 35.795 63.775 1.00 28.57 C +ATOM 1605 O2 C A 74 14.120 36.537 63.581 1.00 30.04 O +ATOM 1606 N3 C A 74 12.228 35.570 62.806 1.00 27.74 N +ATOM 1607 C4 C A 74 11.156 34.755 63.000 1.00 25.44 C +ATOM 1608 N4 C A 74 10.289 34.592 61.997 1.00 23.80 N +ATOM 1609 C5 C A 74 10.992 34.103 64.260 1.00 25.11 C +ATOM 1610 C6 C A 74 11.922 34.333 65.198 1.00 27.20 C +ATOM 1611 P C A 75 12.571 38.702 69.319 1.00 40.57 P +ATOM 1612 OP1 C A 75 13.464 39.624 70.127 1.00 39.27 O +ATOM 1613 OP2 C A 75 11.342 38.325 70.078 1.00 36.25 O +ATOM 1614 O5' C A 75 12.255 39.365 67.897 1.00 31.83 O +ATOM 1615 C5' C A 75 11.335 40.495 67.913 1.00 27.55 C +ATOM 1616 C4' C A 75 11.006 40.805 66.458 1.00 26.80 C +ATOM 1617 O4' C A 75 11.309 39.674 65.666 1.00 24.35 O +ATOM 1618 C3' C A 75 9.537 41.102 66.183 1.00 28.28 C +ATOM 1619 O3' C A 75 9.134 42.440 66.458 0.70 29.36 O +ATOM 1620 C2' C A 75 9.437 40.771 64.697 1.00 26.31 C +ATOM 1621 O2' C A 75 9.906 41.912 64.002 1.00 28.50 O +ATOM 1622 C1' C A 75 10.393 39.590 64.567 1.00 24.36 C +ATOM 1623 N1 C A 75 9.597 38.353 64.567 1.00 21.37 N +ATOM 1624 C2 C A 75 8.867 38.095 63.403 1.00 25.62 C +ATOM 1625 O2 C A 75 8.900 38.870 62.450 1.00 27.04 O +ATOM 1626 N3 C A 75 8.114 36.953 63.371 1.00 25.19 N +ATOM 1627 C4 C A 75 8.071 36.088 64.422 1.00 24.44 C +ATOM 1628 N4 C A 75 7.315 34.991 64.309 1.00 24.63 N +ATOM 1629 C5 C A 75 8.821 36.357 65.585 1.00 24.16 C +ATOM 1630 C6 C A 75 9.553 37.487 65.618 1.00 23.86 C +ATOM 1631 P A A 76 9.487 43.244 67.800 0.70 29.71 P +ATOM 1632 OP1 A A 76 9.333 42.356 68.996 0.70 33.40 O +ATOM 1633 OP2 A A 76 8.507 44.369 67.816 0.70 33.05 O +ATOM 1634 O5' A A 76 10.989 43.722 67.606 0.70 35.56 O +ATOM 1635 C5' A A 76 12.058 43.211 68.430 0.62 37.62 C +ATOM 1636 C4' A A 76 13.161 44.251 68.414 0.62 39.32 C +ATOM 1637 O4' A A 76 12.615 45.527 68.705 0.62 39.53 O +ATOM 1638 C3' A A 76 14.267 44.048 69.448 0.62 40.32 C +ATOM 1639 O3' A A 76 15.253 43.098 69.044 0.62 41.15 O +ATOM 1640 C2' A A 76 14.826 45.465 69.577 0.62 40.57 C +ATOM 1641 O2' A A 76 15.709 45.667 68.478 0.62 39.29 O +ATOM 1642 C1' A A 76 13.580 46.308 69.416 0.62 40.91 C +ATOM 1643 N9 A A 76 13.071 46.708 70.741 0.35 42.10 N +ATOM 1644 C8 A A 76 13.727 47.365 71.759 0.35 42.72 C +ATOM 1645 N7 A A 76 12.991 47.579 72.810 0.35 43.75 N +ATOM 1646 C5 A A 76 11.762 47.022 72.487 0.35 43.24 C +ATOM 1647 C6 A A 76 10.549 46.927 73.214 0.35 44.11 C +ATOM 1648 N6 A A 76 10.379 47.399 74.442 0.35 44.46 N +ATOM 1649 N1 A A 76 9.527 46.297 72.551 0.35 44.29 N +ATOM 1650 C2 A A 76 9.683 45.802 71.291 0.35 43.56 C +ATOM 1651 N3 A A 76 10.792 45.859 70.563 0.35 43.16 N +ATOM 1652 C4 A A 76 11.795 46.483 71.226 0.35 42.87 C From ketan at ci.uchicago.edu Wed Apr 6 18:39:47 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Wed, 6 Apr 2011 18:39:47 -0500 (CDT) Subject: [Swift-commit] r4301 - in www: . cookbook Message-ID: <20110406233947.919FE9CC6B@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-06 18:39:47 -0500 (Wed, 06 Apr 2011) New Revision: 4301 Added: www/cookbook/ www/cookbook/cookbook-asciidoc.html www/cookbook/cookbook-asciidoc.txt Log: Added cookbook to docs Added: www/cookbook/cookbook-asciidoc.html =================================================================== --- www/cookbook/cookbook-asciidoc.html (rev 0) +++ www/cookbook/cookbook-asciidoc.html 2011-04-06 23:39:47 UTC (rev 4301) @@ -0,0 +1,622 @@ + + + + + +Swift Cookbook + + + + + +
    +
    +

    1. Overview

    +
    +

    Swift cookbook overview. Goals of this cookbook. Organization of this cookbook.Benefits of cookbook.

    +

    This manual provides reference material for Swift: the SwiftScript +language and the Swift runtime system. For introductory material, +consult the Swift tutorial.

    +

    Swift is a data-oriented coarse grained scripting language that +supports dataset typing and mapping, dataset iteration, conditional +branching, and procedural composition.

    +

    Swift programs (or workflows) are written in a language called +SwiftScript.

    +

    SwiftScript programs are dataflow oriented - they are primarily +concerned with processing (possibly large) collections of data files, +by invoking programs to do that processing. Swift handles execution of +such programs on remote sites by choosing sites, handling the staging +of input and output files to and from the chosen sites and remote +execution of program code.

    +
    +
    +
    +

    2. Beagle

    +
    +

    How to run Swift on Beagle.

    +
    +
    +
    +

    3. Coasters

    +
    +

    How to run Swift under different Coasters configurations.

    +
    +
    +
    +
    + + + Added: www/cookbook/cookbook-asciidoc.txt =================================================================== --- www/cookbook/cookbook-asciidoc.txt (rev 0) +++ www/cookbook/cookbook-asciidoc.txt 2011-04-06 23:39:47 UTC (rev 4301) @@ -0,0 +1,35 @@ +Swift Cookbook +============== +Swift team +v0.92, March 2011 + +Overview +-------- +Swift cookbook overview. Goals of this cookbook. Organization of this cookbook.Benefits of cookbook. + +This manual provides reference material for Swift: the SwiftScript +language and the Swift runtime system. For introductory material, +consult the Swift tutorial. + +Swift is a data-oriented coarse grained scripting language that +supports dataset typing and mapping, dataset iteration, conditional +branching, and procedural composition. + +Swift programs (or workflows) are written in a language called +SwiftScript. + +SwiftScript programs are dataflow oriented - they are primarily +concerned with processing (possibly large) collections of data files, +by invoking programs to do that processing. Swift handles execution of +such programs on remote sites by choosing sites, handling the staging +of input and output files to and from the chosen sites and remote +execution of program code. + +Beagle +------ +How to run Swift on Beagle. + +Coasters +-------- +How to run Swift under different Coasters configurations. + From ketan at ci.uchicago.edu Thu Apr 7 10:12:27 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Thu, 7 Apr 2011 10:12:27 -0500 (CDT) Subject: [Swift-commit] r4302 - www/cookbook Message-ID: <20110407151227.9762A9CC94@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-07 10:11:47 -0500 (Thu, 07 Apr 2011) New Revision: 4302 Modified: www/cookbook/cookbook-asciidoc.html www/cookbook/cookbook-asciidoc.txt Log: Modified: www/cookbook/cookbook-asciidoc.html =================================================================== --- www/cookbook/cookbook-asciidoc.html 2011-04-06 23:39:47 UTC (rev 4301) +++ www/cookbook/cookbook-asciidoc.html 2011-04-07 15:11:47 UTC (rev 4302) @@ -582,20 +582,11 @@

    1. Overview

    Swift cookbook overview. Goals of this cookbook. Organization of this cookbook.Benefits of cookbook.

    -

    This manual provides reference material for Swift: the SwiftScript -language and the Swift runtime system. For introductory material, -consult the Swift tutorial.

    -

    Swift is a data-oriented coarse grained scripting language that -supports dataset typing and mapping, dataset iteration, conditional -branching, and procedural composition.

    -

    Swift programs (or workflows) are written in a language called -SwiftScript.

    -

    SwiftScript programs are dataflow oriented - they are primarily -concerned with processing (possibly large) collections of data files, -by invoking programs to do that processing. Swift handles execution of -such programs on remote sites by choosing sites, handling the staging -of input and output files to and from the chosen sites and remote -execution of program code.

    +

    This cookbook covers various recipes involving running Swift under diverse configurations based on the application requirements and underlying infrastructures. The SwiftScript language and the Swift runtim system. For introductory material, consult the Swift tutorial.

    +

    Swift is a data-oriented coarse grained scripting language that supports dataset typing and mapping, dataset iteration, conditional branching, and procedural composition.

    +

    Swift programs (or workflows) are written in a language called SwiftScript.

    +

    SwiftScript programs are dataflow oriented - they are primarily concerned with processing (possibly large) collections of data files, by invoking programs to do that processing. Swift handles execution of +such programs on remote sites by choosing sites, handling the staging of input and output files to and from the chosen sites and remote execution of program code.

    @@ -615,7 +606,7 @@ Modified: www/cookbook/cookbook-asciidoc.txt =================================================================== --- www/cookbook/cookbook-asciidoc.txt 2011-04-06 23:39:47 UTC (rev 4301) +++ www/cookbook/cookbook-asciidoc.txt 2011-04-07 15:11:47 UTC (rev 4302) @@ -1,3 +1,6 @@ +// To compile use: asciidoc -a toc -n cookbook-asciidoc.txt + + Swift Cookbook ============== Swift team @@ -7,23 +10,14 @@ -------- Swift cookbook overview. Goals of this cookbook. Organization of this cookbook.Benefits of cookbook. -This manual provides reference material for Swift: the SwiftScript -language and the Swift runtime system. For introductory material, -consult the Swift tutorial. +This cookbook covers various recipes involving running Swift under diverse configurations based on the application requirements and underlying infrastructures. The SwiftScript language and the Swift runtim system. For introductory material, consult the Swift tutorial. -Swift is a data-oriented coarse grained scripting language that -supports dataset typing and mapping, dataset iteration, conditional -branching, and procedural composition. +Swift is a data-oriented coarse grained scripting language that supports dataset typing and mapping, dataset iteration, conditional branching, and procedural composition. -Swift programs (or workflows) are written in a language called -SwiftScript. +Swift programs (or workflows) are written in a language called SwiftScript. -SwiftScript programs are dataflow oriented - they are primarily -concerned with processing (possibly large) collections of data files, -by invoking programs to do that processing. Swift handles execution of -such programs on remote sites by choosing sites, handling the staging -of input and output files to and from the chosen sites and remote -execution of program code. +SwiftScript programs are dataflow oriented - they are primarily concerned with processing (possibly large) collections of data files, by invoking programs to do that processing. Swift handles execution of +such programs on remote sites by choosing sites, handling the staging of input and output files to and from the chosen sites and remote execution of program code. Beagle ------ From skenny at ci.uchicago.edu Thu Apr 7 21:06:25 2011 From: skenny at ci.uchicago.edu (skenny at ci.uchicago.edu) Date: Thu, 7 Apr 2011 21:06:25 -0500 (CDT) Subject: [Swift-commit] r4307 - trunk/bin Message-ID: <20110408020625.6174F9CC6B@svn.ci.uchicago.edu> Author: skenny Date: 2011-04-07 21:06:25 -0500 (Thu, 07 Apr 2011) New Revision: 4307 Added: trunk/bin/chxml Log: sanity check for sites.xml Added: trunk/bin/chxml =================================================================== --- trunk/bin/chxml (rev 0) +++ trunk/bin/chxml 2011-04-08 02:06:25 UTC (rev 4307) @@ -0,0 +1,52 @@ +#!/usr/bin/env python + +# given a filename chxml will ensure it is well-formed xml and +# contains essential swift attributes + +import xml.parsers.expat,sys +from glob import glob + +def parsefile(file): + parser = xml.parsers.expat.ParserCreate() + parser.ParseFile(open(file, "r")) + +startTags= [] +endTags=[] + +def start_element(name, attrs): + startTags.append(name) +def end_element(name): + print 'End element:', name + endTags.append(name) + +for arg in sys.argv[1:]: + for filename in glob(arg): + try: + parsefile(filename) + print "%s is well-formed" % filename + except Exception, e: + print "Error: there is a problem with your sites file" + print "%s is %s" % (filename, e) + sys.exit() + + p = xml.parsers.expat.ParserCreate() + p.StartElementHandler = start_element + p.EndElementHandler = end_element + p.ParseFile(open(filename,"r")) + +config = 0 +pool = 0 + +for tag in startTags: + if tag=="config": + config = 1 + else: + if tag=="pool": + pool= 1 + +if (pool and config): + pass +else: + print "Error: there is a problem with your sites file "+sys.argv[1] + + Property changes on: trunk/bin/chxml ___________________________________________________________________ Name: svn:executable + * From wozniak at ci.uchicago.edu Fri Apr 8 13:00:30 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Fri, 8 Apr 2011 13:00:30 -0500 (CDT) Subject: [Swift-commit] r4313 - trunk/tests/providers/local-pbs-coasters/beagle Message-ID: <20110408180030.18B7BFC41@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-08 13:00:29 -0500 (Fri, 08 Apr 2011) New Revision: 4313 Modified: trunk/tests/providers/local-pbs-coasters/beagle/sites.template.xml Log: Set providerAttributes=pbs.aprun; works on Beagle Modified: trunk/tests/providers/local-pbs-coasters/beagle/sites.template.xml =================================================================== --- trunk/tests/providers/local-pbs-coasters/beagle/sites.template.xml 2011-04-08 17:36:42 UTC (rev 4312) +++ trunk/tests/providers/local-pbs-coasters/beagle/sites.template.xml 2011-04-08 18:00:29 UTC (rev 4313) @@ -1,17 +1,24 @@ + + + + + 1 7200 + pbs.aprun + 1 1 1 1 - _QUEUE_ + batch 5.99 10000 - _PROJECT_ - _WORK_ + CI-MCB000021 + {wdir} From tga at ci.uchicago.edu Fri Apr 8 13:51:13 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Fri, 8 Apr 2011 13:51:13 -0500 (CDT) Subject: [Swift-commit] r4314 - SwiftApps/SwiftR/Swift/R Message-ID: <20110408185113.77DB49CC6B@svn.ci.uchicago.edu> Author: tga Date: 2011-04-08 13:51:13 -0500 (Fri, 08 Apr 2011) New Revision: 4314 Modified: SwiftApps/SwiftR/Swift/R/Apply.R Log: Fixed bug when quiet not provided. Modified: SwiftApps/SwiftR/Swift/R/Apply.R =================================================================== --- SwiftApps/SwiftR/Swift/R/Apply.R 2011-04-08 18:00:29 UTC (rev 4313) +++ SwiftApps/SwiftR/Swift/R/Apply.R 2011-04-08 18:51:13 UTC (rev 4314) @@ -21,6 +21,9 @@ { # Set Swift default options if not passed as keywords or pre-set by user if(is.null(server)) server <- getOption("swift.server") + + if(is.null(quiet)) quiet <- getOption("swift.quiet") + if(is.null(quiet)) quiet <- FALSE if(is.null(callsperbatch)) callsperbatch <- getOption("swift.callsperbatch") if(is.null(callsperbatch)) @@ -43,9 +46,6 @@ if(is.null(keepwork)) keepwork <- FALSE; if(is.null(tmpdir)) tmpdir <- chooseTmpDir() - - if(is.null(quiet)) quiet <- getOption("swift.quiet") - if(is.null(quiet)) quiet <- FALSE if(is.null(printTiming)) printTiming <- getOption("swift.printtiming") if(is.null(printTiming)) printTiming <- FALSE From tga at ci.uchicago.edu Fri Apr 8 13:51:56 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Fri, 8 Apr 2011 13:51:56 -0500 (CDT) Subject: [Swift-commit] r4315 - SwiftApps/SwiftR/Swift/R Message-ID: <20110408185156.93EE69CC6B@svn.ci.uchicago.edu> Author: tga Date: 2011-04-08 13:51:56 -0500 (Fri, 08 Apr 2011) New Revision: 4315 Modified: SwiftApps/SwiftR/Swift/R/Library.R SwiftApps/SwiftR/Swift/R/Tests.R Log: Added in tests to check swiftLibrary/swiftDetach. Fixed the logic of swiftLibrary/swiftDetach to correctly handle complex expressions that evaluate to strings. Modified: SwiftApps/SwiftR/Swift/R/Library.R =================================================================== --- SwiftApps/SwiftR/Swift/R/Library.R 2011-04-08 18:51:13 UTC (rev 4314) +++ SwiftApps/SwiftR/Swift/R/Library.R 2011-04-08 18:51:56 UTC (rev 4315) @@ -6,13 +6,16 @@ # If reset is true, then previously added libraries won't be # reimported on new workers. + subpackname <- substitute(packname) # Check to see if it is a string, if it is not a string # then we will deparse it to get the expression text - if (!is.character(substitute(packname))) { + if (!is.character(subpackname) && is.name(subpackname)) { # Maybe library was provided unquoted - packname <- deparse(substitute(packname)) + + packname <- deparse(subpackname) } - if (! packname %in% installed.packages()) { + + if (!packname %in% installed.packages()) { # Warn users in case they made a typo warning(paste("Package", packname, "was not a installed package in this instance of R,", @@ -68,9 +71,13 @@ # package B will also be imported on the worker. By detaching package A # we don't also detach B. This contrasts to a fresh worker, where # package B will not be imported. - if (!is.character(substitute(name))) { - # Maybe package was provided unquoted - name <- deparse(substitute(name)) + subname <- substitute(name) + # Check to see if it is a string, if it is not a string + # then we will deparse it to get the expression text + if (!is.character(subname) && is.name(subname)) { + # Maybe library was provided unquoted + + name <- deparse(subname) } #TODO: remove from options(".swift.packages") Modified: SwiftApps/SwiftR/Swift/R/Tests.R =================================================================== --- SwiftApps/SwiftR/Swift/R/Tests.R 2011-04-08 18:51:13 UTC (rev 4314) +++ SwiftApps/SwiftR/Swift/R/Tests.R 2011-04-08 18:51:56 UTC (rev 4315) @@ -649,6 +649,113 @@ return (TRUE) } +pkgexists <- function(pkgname) { + paste("package:", pkgname, sep='') %in% search() +} + +swiftTest_7.1 <- function () { + # test swiftLIbrary passing symbolic arg + + try(detach(package:cluster),silent=T) + # Test swiftLibrary default + + # cluster is pkg in R std lib + swiftLibrary(cluster) + + # test + loadedok <- swiftLapply(list("cluster"), pkgexists)[[1]] + + if (!loadedok) { + cat("cluster should be loaded on remote host\n") + cat("\n!!!==> test 7.1 failed") + return (FALSE) + } + if (pkgexists("cluster")) { + cat("cluster should not be loaded in this session\n") + cat("\n!!!==> test 7.1 failed") + return (FALSE) + } + + swiftDetach(package:cluster) + loadedok <- swiftLapply(list("cluster"), pkgexists)[[1]] + if (loadedok) { + cat("cluster should be detached on remote host\n") + cat("\n!!!==> test 7.1 failed") + return (FALSE) + } + + cat("\n!!!==> test 7.1 passed.\n") + return (TRUE) +} + +swiftTest_7.2 <- function () { + # Test swiftLibrary string + try(detach(package:cluster), silent=T) + # Test swiftLibrary default + + # cluster is pkg in R std lib + swiftLibrary("cluster") + + # test + loadedok <- swiftLapply(list("cluster"), pkgexists)[[1]] + + if (!loadedok) { + cat("cluster should be loaded on remote host\n") + cat("\n!!!==> test 7.2 failed") + return (FALSE) + } + if (pkgexists("cluster")) { + cat("cluster should not be loaded in this session\n") + cat("\n!!!==> test 7.2 failed") + return (FALSE) + } + + swiftDetach("package:cluster") + loadedok <- swiftLapply(list("cluster"), pkgexists)[[1]] + if (loadedok) { + cat("cluster should be detached on remote host\n") + cat("\n!!!==> test 7.2 failed") + return (FALSE) + } + + cat("\n!!!==> test 7.2 passed.\n") + return (TRUE) +} + +swiftTest_7.3 <- function () { + # Test swiftLibrary constructed string to make + try(detach(package:cluster), silent=T) + # Test swiftLibrary default + + # cluster is pkg in R std lib + swiftLibrary(paste("clus", "ter", sep="")) + + # test + loadedok <- swiftLapply(list("cluster"), pkgexists)[[1]] + + if (!loadedok) { + cat("cluster should be loaded on remote host\n") + cat("\n!!!==> test 7.3 failed") + return (FALSE) + } + if (pkgexists("cluster")) { + cat("cluster should not be loaded in this session\n") + cat("\n!!!==> test 7.3 failed") + return (FALSE) + } + + swiftDetach(paste("package:","clus", "ter", sep="")) + loadedok <- swiftLapply(list("cluster"), pkgexists)[[1]] + if (loadedok) { + cat("cluster should be detached on remote host\n") + cat("\n!!!==> test 7.3 failed") + return (FALSE) + } + + cat("\n!!!==> test 7.3 passed.\n") + return (TRUE) +} + runAllSwiftTests <- function(...) { startTime = proc.time()[["elapsed"]] @@ -715,6 +822,13 @@ mkTest(swiftTest_6.2), mkTest(swiftTest_6.3))) +testGroup7 <- makeTestGroup( + name="7 - library imports", + tests = list(mkTest(swiftTest_7.1), + mkTest(swiftTest_7.2), + mkTest(swiftTest_7.3))) + + makeFullTestSuite <- function (...) { initArgs <- list(...) initArgs[['keepwork']] <- TRUE @@ -723,6 +837,6 @@ options(swift.initialexpr="initVar1 <- 19; initVar2 <- sqrt(400)+3") do.call(swiftInit, initArgs) }, # swiftInit controlled via options groups=list(testGroup1.1, testGroup2, testGroup1.2, testGroup1.3, testGroup3, testGroup4, - testGroup5, testGroup6), + testGroup5, testGroup6, testGroup7), teardown=function () { swiftShutdown() }) } From tga at ci.uchicago.edu Fri Apr 8 13:57:45 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Fri, 8 Apr 2011 13:57:45 -0500 (CDT) Subject: [Swift-commit] r4316 - SwiftApps/SwiftR/Swift/tests Message-ID: <20110408185745.E176E9CC6B@svn.ci.uchicago.edu> Author: tga Date: 2011-04-08 13:57:45 -0500 (Fri, 08 Apr 2011) New Revision: 4316 Added: SwiftApps/SwiftR/Swift/tests/serialisation_overhead.R Log: Checking in work from a little while ago: a test to quantify the impact of different factors on writing data to disk. Added: SwiftApps/SwiftR/Swift/tests/serialisation_overhead.R =================================================================== --- SwiftApps/SwiftR/Swift/tests/serialisation_overhead.R (rev 0) +++ SwiftApps/SwiftR/Swift/tests/serialisation_overhead.R 2011-04-08 18:57:45 UTC (rev 4316) @@ -0,0 +1,70 @@ + +require(Swift) +source("Swift/tests/perf_tests.R") +source("Swift/tests/OpenMx/BootstrapParallelBigger.R") + +args = 128 +res = list(n=c(), create=c(), prepro=c(), write=c(), writesep=c(), writesepsplit=c()) +i = 1 +for (n in c(1,2,4,8,16,32,48, 64, 96, 128, 192, 256, 384, 512)) { + cat("\n", n, "\n\n") + res$n[[i]] = n + + startTime = proc.time()[["elapsed"]] + model <- buildModels(75, 100, n) + endTime = proc.time()[["elapsed"]] + res$create[[i]] = endTime - startTime + cat(paste("Took", endTime - startTime, "s to build models\n")) + + + + startTime = proc.time()[["elapsed"]] + dataList <- generateDataList(model) + dshare <- shareData(model) + independents <- getAllIndependents(dshare) + endTime = proc.time()[["elapsed"]] + res$prepro[[i]] = endTime - startTime + cat(paste("Took", endTime - startTime, "s to process model\n")) + + + x = list(mxRun, independents) + wStartTime = proc.time()[["elapsed"]] + save(x, file="blah.Rdata") + wEndTime = proc.time()[["elapsed"]] + cat(paste("Took", wEndTime - wStartTime, "s to write to disk models\n")) + res$write[[i]] = wEndTime - wStartTime + + wStartTime = proc.time()[["elapsed"]] + for (j in 1:n) { + x = list(mxRun, independents[[j]]) + save(x, file=paste("blah", j, ".Rdata", sep="")) + } + wEndTime = proc.time()[["elapsed"]] + cat(paste("Took", wEndTime - wStartTime, "s to write to disk models individually\n")) + res$writesep[[i]] = wEndTime - wStartTime + + + wStartTime = proc.time()[["elapsed"]] + y = list(mxRun) + save(y, file=paste("mxRun.Rdata", sep="")) + for (j in 1:n) { + x = independents[[j]] + save(x, file=paste("blah", j, ".Rdata", sep="")) + } + wEndTime = proc.time()[["elapsed"]] + cat(paste("Took", wEndTime - wStartTime, "s to write to disk models individually split\n")) + res$writesepsplit[[i]] = wEndTime - wStartTime + + i <- i + 1 +} +plot(res$n, res$writesep, col="green", type="l", xlab="No. replicas", ylab="Time (s)") +points(res$n, res$write, col="red", type="l") +points(res$n, res$writesepsplit, col="blue", type="l") +points(res$n, res$create, col="black", type="l") +points(res$n, res$prepro, col="brown", type="l") + +legend("topleft", + legend=c("write separately", "write single file", + "write function\nand args separately", "time to create omx models", + "time to identify independent models"), + fill=c("green", "red", 'blue', 'black', 'brown')) From wozniak at ci.uchicago.edu Fri Apr 8 14:07:51 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Fri, 8 Apr 2011 14:07:51 -0500 (CDT) Subject: [Swift-commit] r4317 - trunk/libexec/log-processing Message-ID: <20110408190751.6AC689CC6B@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-08 14:07:51 -0500 (Fri, 08 Apr 2011) New Revision: 4317 Added: trunk/libexec/log-processing/cpu-job-events.pl Log: New Coasters plot data extractor for job submission/termination Added: trunk/libexec/log-processing/cpu-job-events.pl =================================================================== --- trunk/libexec/log-processing/cpu-job-events.pl (rev 0) +++ trunk/libexec/log-processing/cpu-job-events.pl 2011-04-08 19:07:51 UTC (rev 4317) @@ -0,0 +1,30 @@ +#!/usr/bin/perl + +# Accumulate the load level at each point in time +# INPUT: A Swift log file with Coasters messages: +# timestamp ... Cpu ... submitting ... +# timestamp ... Cpu ... jobTerminated ... +# where timestamp is a number +# OUTPUT: lines formatted as "timestamp load" +# where timestamp and load are numbers + +$time = 0.0; +$load = 0; + +sub report() { + @tokens = split; + printf("$tokens[0] $load\n"); +} + +while () { + if (/Cpu/) { + if (/submitting/) { + $load++; + report; + } + elsif (/jobTerminated/) { + $load--; + report; + } + } +} Property changes on: trunk/libexec/log-processing/cpu-job-events.pl ___________________________________________________________________ Name: svn:executable + * From wozniak at ci.uchicago.edu Fri Apr 8 14:36:07 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Fri, 8 Apr 2011 14:36:07 -0500 (CDT) Subject: [Swift-commit] r4318 - trunk/libexec/log-processing Message-ID: <20110408193607.3BF3D9CC6B@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-08 14:36:07 -0500 (Fri, 08 Apr 2011) New Revision: 4318 Modified: trunk/libexec/log-processing/extract-start-time Log: Fixes - not sure about this Modified: trunk/libexec/log-processing/extract-start-time =================================================================== --- trunk/libexec/log-processing/extract-start-time 2011-04-08 19:07:51 UTC (rev 4317) +++ trunk/libexec/log-processing/extract-start-time 2011-04-08 19:36:07 UTC (rev 4318) @@ -8,9 +8,9 @@ head $LOG | iso-to-secs >> tmp-extract-starttime2 fi -for e in *.event ; do - head -n 1 $e >> tmp-extract-starttime2 -done +# for e in *.event ; do +# head -n 1 $e >> tmp-extract-starttime2 +# done sort -n < tmp-extract-starttime2 >tmp-extract-starttime From wozniak at ci.uchicago.edu Fri Apr 8 14:36:56 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Fri, 8 Apr 2011 14:36:56 -0500 (CDT) Subject: [Swift-commit] r4319 - trunk/libexec/log-processing Message-ID: <20110408193656.DF0139CC6B@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-08 14:36:56 -0500 (Fri, 08 Apr 2011) New Revision: 4319 Added: trunk/libexec/log-processing/cpu-job-load.pl Removed: trunk/libexec/log-processing/cpu-job-events.pl Log: Rename plot script Deleted: trunk/libexec/log-processing/cpu-job-events.pl =================================================================== --- trunk/libexec/log-processing/cpu-job-events.pl 2011-04-08 19:36:07 UTC (rev 4318) +++ trunk/libexec/log-processing/cpu-job-events.pl 2011-04-08 19:36:56 UTC (rev 4319) @@ -1,30 +0,0 @@ -#!/usr/bin/perl - -# Accumulate the load level at each point in time -# INPUT: A Swift log file with Coasters messages: -# timestamp ... Cpu ... submitting ... -# timestamp ... Cpu ... jobTerminated ... -# where timestamp is a number -# OUTPUT: lines formatted as "timestamp load" -# where timestamp and load are numbers - -$time = 0.0; -$load = 0; - -sub report() { - @tokens = split; - printf("$tokens[0] $load\n"); -} - -while () { - if (/Cpu/) { - if (/submitting/) { - $load++; - report; - } - elsif (/jobTerminated/) { - $load--; - report; - } - } -} Copied: trunk/libexec/log-processing/cpu-job-load.pl (from rev 4317, trunk/libexec/log-processing/cpu-job-events.pl) =================================================================== --- trunk/libexec/log-processing/cpu-job-load.pl (rev 0) +++ trunk/libexec/log-processing/cpu-job-load.pl 2011-04-08 19:36:56 UTC (rev 4319) @@ -0,0 +1,30 @@ +#!/usr/bin/perl + +# Accumulate the load level at each point in time +# INPUT: A Swift log file with Coasters messages: +# timestamp ... Cpu ... submitting ... +# timestamp ... Cpu ... jobTerminated ... +# where timestamp is a number +# OUTPUT: lines formatted as "timestamp load" +# where timestamp and load are numbers + +$time = 0.0; +$load = 0; + +sub report() { + @tokens = split; + printf("$tokens[0] $load\n"); +} + +while () { + if (/Cpu/) { + if (/submitting/) { + $load++; + report; + } + elsif (/jobTerminated/) { + $load--; + report; + } + } +} From wozniak at ci.uchicago.edu Fri Apr 8 14:37:38 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Fri, 8 Apr 2011 14:37:38 -0500 (CDT) Subject: [Swift-commit] r4320 - trunk/libexec/log-processing Message-ID: <20110408193738.BB74D9CC6B@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-08 14:37:38 -0500 (Fri, 08 Apr 2011) New Revision: 4320 Added: trunk/libexec/log-processing/cpu-jobs-complete.pl Log: Copy to start on jobs complete plot Copied: trunk/libexec/log-processing/cpu-jobs-complete.pl (from rev 4319, trunk/libexec/log-processing/cpu-job-load.pl) =================================================================== --- trunk/libexec/log-processing/cpu-jobs-complete.pl (rev 0) +++ trunk/libexec/log-processing/cpu-jobs-complete.pl 2011-04-08 19:37:38 UTC (rev 4320) @@ -0,0 +1,30 @@ +#!/usr/bin/perl + +# Accumulate the load level at each point in time +# INPUT: A Swift log file with Coasters messages: +# timestamp ... Cpu ... submitting ... +# timestamp ... Cpu ... jobTerminated ... +# where timestamp is a number +# OUTPUT: lines formatted as "timestamp load" +# where timestamp and load are numbers + +$time = 0.0; +$load = 0; + +sub report() { + @tokens = split; + printf("$tokens[0] $load\n"); +} + +while () { + if (/Cpu/) { + if (/submitting/) { + $load++; + report; + } + elsif (/jobTerminated/) { + $load--; + report; + } + } +} From wozniak at ci.uchicago.edu Fri Apr 8 14:38:10 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Fri, 8 Apr 2011 14:38:10 -0500 (CDT) Subject: [Swift-commit] r4321 - trunk/libexec/log-processing Message-ID: <20110408193810.CFBC89CC6B@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-08 14:38:03 -0500 (Fri, 08 Apr 2011) New Revision: 4321 Modified: trunk/libexec/log-processing/cpu-job-load.pl Log: Drop unused variable Modified: trunk/libexec/log-processing/cpu-job-load.pl =================================================================== --- trunk/libexec/log-processing/cpu-job-load.pl 2011-04-08 19:37:38 UTC (rev 4320) +++ trunk/libexec/log-processing/cpu-job-load.pl 2011-04-08 19:38:03 UTC (rev 4321) @@ -8,7 +8,6 @@ # OUTPUT: lines formatted as "timestamp load" # where timestamp and load are numbers -$time = 0.0; $load = 0; sub report() { From wozniak at ci.uchicago.edu Fri Apr 8 14:57:29 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Fri, 8 Apr 2011 14:57:29 -0500 (CDT) Subject: [Swift-commit] r4322 - trunk/libexec/log-processing Message-ID: <20110408195729.EE76D9CC6B@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-08 14:57:29 -0500 (Fri, 08 Apr 2011) New Revision: 4322 Modified: trunk/libexec/log-processing/cpu-jobs-complete.pl Log: Extract Coasters jobs completed over time numbers Modified: trunk/libexec/log-processing/cpu-jobs-complete.pl =================================================================== --- trunk/libexec/log-processing/cpu-jobs-complete.pl 2011-04-08 19:38:03 UTC (rev 4321) +++ trunk/libexec/log-processing/cpu-jobs-complete.pl 2011-04-08 19:57:29 UTC (rev 4322) @@ -5,26 +5,22 @@ # timestamp ... Cpu ... submitting ... # timestamp ... Cpu ... jobTerminated ... # where timestamp is a number -# OUTPUT: lines formatted as "timestamp load" -# where timestamp and load are numbers +# OUTPUT: lines formatted as "timestamp count" +# where timestamp and count are numbers, +# count being the number of completed jobs at that point -$time = 0.0; -$load = 0; +$count = 0; sub report() { @tokens = split; - printf("$tokens[0] $load\n"); + printf("$tokens[0] $count\n"); } while () { if (/Cpu/) { - if (/submitting/) { - $load++; + if (/jobTerminated/) { + $count++; report; } - elsif (/jobTerminated/) { - $load--; - report; - } } } From wozniak at ci.uchicago.edu Fri Apr 8 15:26:49 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Fri, 8 Apr 2011 15:26:49 -0500 (CDT) Subject: [Swift-commit] r4323 - test/asciidoc-manual Message-ID: <20110408202649.57ED49CC6B@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-08 15:26:49 -0500 (Fri, 08 Apr 2011) New Revision: 4323 Modified: test/asciidoc-manual/manual.txt Log: Start on new index of Swift file accesses... Modified: test/asciidoc-manual/manual.txt =================================================================== --- test/asciidoc-manual/manual.txt 2011-04-08 19:57:29 UTC (rev 4322) +++ test/asciidoc-manual/manual.txt 2011-04-08 20:26:49 UTC (rev 4323) @@ -298,3 +298,52 @@ [start=2] . Source +setup.sh+. . Run +start.sh+. + +[appendix] +Index of Swift input and output files +------------------------------------- + +This documents all files read and written by Swift and its underlying +components. + +Inputs +~~~~~~ +* The Swift script +* sites.file +* tc.file +* log4j.properties +* swift.properties +* Provider properties files + +Outputs +~~~~~~~ + +Standard output +^^^^^^^^^^^^^^^ +* This is the result of the Swift's log4-based logger WARN-level messages. +* Contains output from HangChecker, ... + +Swift logfile +^^^^^^^^^^^^^ +* (+*.log+) +* This is the result of other Swift logger messages. + +swift.log +^^^^^^^^^ + +Wrapper logs +^^^^^^^^^^^^ + +* +*-info+ - in the work directory, also called the sitedir. + +* This contains output from +_swiftwrap+. CDM problems can often be + diagnosed here. + +Coasters worker logs +^^^^^^^^^^^^^^^^^^^^ + +* +*.log+ + +PBS logs +^^^^^^^^ + From wozniak at ci.uchicago.edu Fri Apr 8 15:32:59 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Fri, 8 Apr 2011 15:32:59 -0500 (CDT) Subject: [Swift-commit] r4324 - trunk/libexec/log-processing Message-ID: <20110408203259.C99DE9CC6B@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-08 15:32:59 -0500 (Fri, 08 Apr 2011) New Revision: 4324 Modified: trunk/libexec/log-processing/README.txt Log: Update README with new plot data extractors Modified: trunk/libexec/log-processing/README.txt =================================================================== --- trunk/libexec/log-processing/README.txt 2011-04-08 20:26:49 UTC (rev 4323) +++ trunk/libexec/log-processing/README.txt 2011-04-08 20:32:59 UTC (rev 4324) @@ -9,34 +9,47 @@ log4j.logger.swift=DEBUG -------------------------------------- -To make a basic load plot: - -* Generate the log (may set log4j.logger.swift=INFO for this one) +Make a basic load plot from Coasters Cpu log lines +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ +. Generate the log (may set log4j.logger.swift=INFO for this one) (assuming the log is titled swift-run.log) -* Make the execute transitions file: +. Convert the log times to Unix time ------------------------------------------ -make LOG=swift-run.log execute.transitions ------------------------------------------- -These transitions are relative to the Unix epoch +./iso-to-secs < swift-run.log > tmp.log -* Make the start time file (this contains the earliest timestamp) +. Make the start time file (this contains the earliest timestamp) ------------------------------------------ -make LOG=swift-run.log start-time.tmp +make LOG=tmp.log start-time.tmp ------------------------------------------ -* Normalize the transition times +. Normalize the transition times ------------------------------------------ -./normalise-event-start-time < execute.transitions > execute.norm +./normalise-event-start-time < tmp.log > tmp.norm ------------------------------------------ -* Build up a load data file: +. Build up a load data file: ------------------------------------------ -./accumulate-load.pl < execute.norm > load.data +./cpu-job-load.pl < tmp.norm > load.data ------------------------------------------ -* Plot with the JFreeChart-based plotter in usertools/plotter: +. Plot with the JFreeChart-based plotter in usertools/plotter: ------------------------------------------ lines.zsh load.cfg load.eps load.data ------------------------------------------ +Make a basic job completion plot from Coasters Cpu log lines +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +Same as above, but: + +[start=5] +. Build up a completed data file: +------------------------------------------ +./cpu-job-completed.pl < tmp.norm > completed.data +------------------------------------------ + +. Plot with the JFreeChart-based plotter in usertools/plotter: +------------------------------------------ +lines.zsh completed.cfg completed.eps completed.data +------------------------------------------ From wozniak at ci.uchicago.edu Fri Apr 8 15:52:21 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Fri, 8 Apr 2011 15:52:21 -0500 (CDT) Subject: [Swift-commit] r4325 - trunk/libexec/log-processing Message-ID: <20110408205221.B8D96FC41@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-08 15:52:21 -0500 (Fri, 08 Apr 2011) New Revision: 4325 Added: trunk/libexec/log-processing/completed.cfg Log: For use with the result of cpu-jobs-complete.pl Added: trunk/libexec/log-processing/completed.cfg =================================================================== --- trunk/libexec/log-processing/completed.cfg (rev 0) +++ trunk/libexec/log-processing/completed.cfg 2011-04-08 20:52:21 UTC (rev 4325) @@ -0,0 +1,6 @@ + +xlabel = time +ylabel = jobs completed + +shape.completed.data = none +label.completed.data = load From wozniak at ci.uchicago.edu Fri Apr 8 15:52:54 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Fri, 8 Apr 2011 15:52:54 -0500 (CDT) Subject: [Swift-commit] r4326 - trunk/libexec/log-processing Message-ID: <20110408205254.BED10FC41@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-08 15:52:54 -0500 (Fri, 08 Apr 2011) New Revision: 4326 Added: trunk/libexec/log-processing/block-level.pl trunk/libexec/log-processing/blocks.cfg Log: New Coasters block allocation plot Added: trunk/libexec/log-processing/block-level.pl =================================================================== --- trunk/libexec/log-processing/block-level.pl (rev 0) +++ trunk/libexec/log-processing/block-level.pl 2011-04-08 20:52:54 UTC (rev 4326) @@ -0,0 +1,34 @@ +#!/usr/bin/perl + +# Accumulate the load level at each point in time +# INPUT: A Swift log file with Coasters messages: +# timestamp ... Block Starting block: workers=24 ... +# timestamp ... Block Shutting down ... (24x ... +# where timestamp is a number +# OUTPUT: lines formatted as "timestamp level" +# where timestamp and load are numbers, +# level being the number of Coasters Cpus available + +$level = 0; + +sub report() { + @tokens = split; + printf("$tokens[0] $level\n"); +} + +while () { + if (/Block/) { + if (/Block Starting block:/) { + /workers=(\d*)/; + report; + $level += $1; + report; + } + if (/Block Shutting down block/) { + /\((\d*)x/; + report; + $level -= $1; + report; + } + } +} Property changes on: trunk/libexec/log-processing/block-level.pl ___________________________________________________________________ Name: svn:executable + * Added: trunk/libexec/log-processing/blocks.cfg =================================================================== --- trunk/libexec/log-processing/blocks.cfg (rev 0) +++ trunk/libexec/log-processing/blocks.cfg 2011-04-08 20:52:54 UTC (rev 4326) @@ -0,0 +1,6 @@ + +xlabel = time +ylabel = allocation size + +# shape.blocks.data = none +label.blocks.data = cores From tga at ci.uchicago.edu Fri Apr 8 15:59:22 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Fri, 8 Apr 2011 15:59:22 -0500 (CDT) Subject: [Swift-commit] r4327 - SwiftApps/SwiftR/Swift/R Message-ID: <20110408205922.18FA6FC41@svn.ci.uchicago.edu> Author: tga Date: 2011-04-08 15:59:21 -0500 (Fri, 08 Apr 2011) New Revision: 4327 Modified: SwiftApps/SwiftR/Swift/R/Library.R Log: Fixed argument hadnling of swiftDetach. Modified: SwiftApps/SwiftR/Swift/R/Library.R =================================================================== --- SwiftApps/SwiftR/Swift/R/Library.R 2011-04-08 20:52:54 UTC (rev 4326) +++ SwiftApps/SwiftR/Swift/R/Library.R 2011-04-08 20:59:21 UTC (rev 4327) @@ -9,13 +9,14 @@ subpackname <- substitute(packname) # Check to see if it is a string, if it is not a string # then we will deparse it to get the expression text - if (!is.character(subpackname) && is.name(subpackname)) { - # Maybe library was provided unquoted - - packname <- deparse(subpackname) + if (!is.character(subpackname)) { + if (is.name(subpackname)) { + # Maybe library was provided unquoted + packname <- deparse(subpackname) + } } - if (!packname %in% installed.packages()) { + if (!(packname %in% installed.packages())) { # Warn users in case they made a typo warning(paste("Package", packname, "was not a installed package in this instance of R,", @@ -61,32 +62,42 @@ options(.swift.packages=plist) } -swiftDetach <- function (name) { +sstartsWith <- function (str, prefix) { + substr(str, 1, nchar(prefix)) == prefix +} + +swiftDetach <- function (packname) { # name is an string or identifier such as "package:OpenMx", # following the same pattern as the built in R detach() function # Detaches a library from workers and ensures that it will no longer be - # imported. Note that the effect on dependent imports is a little + # imported. + + # Caveat: the effect on dependent imports is a little # messy and behaves differently on existing and new workers. # If package A requires package B, and we import A on a worker, # package B will also be imported on the worker. By detaching package A # we don't also detach B. This contrasts to a fresh worker, where # package B will not be imported. - subname <- substitute(name) + # Check to see if it is a string, if it is not a string + subpackname <- substitute(packname) # then we will deparse it to get the expression text - if (!is.character(subname) && is.name(subname)) { - # Maybe library was provided unquoted - - name <- deparse(subname) + if (!is.character(subpackname)) { + # Check to see if symbol name has package: prefix + deparsed <- deparse(subpackname) + if (sstartsWith(deparsed, "package:")) { + # Maybe library was provided unquoted + packname <- deparsed + } } #TODO: remove from options(".swift.packages") # Scan through list and remove any attach or detach of this name # add a detach cmd to the end - if (substr(name, 1, 8) != "package:") + if (!sstartsWith(packname, "package:")) stop("Can only detach packages. Package must be specified as package:PackageName") # Get bit after "package:" - packname = substr(name, 9, nchar(name)) + packname = substr(packname, 9, nchar(packname)) plist = getOption(".swift.packages") if (is.null(plist)) { plist = list() From tga at ci.uchicago.edu Fri Apr 8 16:00:25 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Fri, 8 Apr 2011 16:00:25 -0500 (CDT) Subject: [Swift-commit] r4328 - SwiftApps/SwiftR/Swift/R Message-ID: <20110408210025.61DD2FC41@svn.ci.uchicago.edu> Author: tga Date: 2011-04-08 16:00:23 -0500 (Fri, 08 Apr 2011) New Revision: 4328 Modified: SwiftApps/SwiftR/Swift/R/Init.R Log: iAdded core count detection for mac OS X Modified: SwiftApps/SwiftR/Swift/R/Init.R =================================================================== --- SwiftApps/SwiftR/Swift/R/Init.R 2011-04-08 20:59:21 UTC (rev 4327) +++ SwiftApps/SwiftR/Swift/R/Init.R 2011-04-08 21:00:23 UTC (rev 4328) @@ -64,14 +64,18 @@ corecount <- 0 if (substr(os, 1, 5) == "linux") { corecount <- try(as.numeric(system( - "grep -c '^processor' /proc/cpuinfo", intern=T))) + "grep -c '^processor' /proc/cpuinfo 2> /dev/null", intern=T))) } - #if (substr(os, 1, 5) == "darwin") { - #} + if (substr(os, 1, 5) == "darwin") { + #Mac OS X / Darwin + corecount <- try(as.numeric(unlist( + system(paste("/usr/sbin/sysctl hw.ncpu 2> /dev/null | ", + "awk '{ print $NF }' 2> /dev/null"), intern=T), + ))) + } #TODO: detect cores on other systems: - # * MAC OS X # * BSD? - # + # * windows? if (!inherits(corecount, "try-error") && corecount >= 1){ options(swift.system.cores=corecount) From tga at ci.uchicago.edu Fri Apr 8 16:00:51 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Fri, 8 Apr 2011 16:00:51 -0500 (CDT) Subject: [Swift-commit] r4329 - SwiftApps/SwiftR Message-ID: <20110408210051.2F451FC41@svn.ci.uchicago.edu> Author: tga Date: 2011-04-08 16:00:51 -0500 (Fri, 08 Apr 2011) New Revision: 4329 Modified: SwiftApps/SwiftR/IMMEDIATE-TODO Log: Updated TODO list. Modified: SwiftApps/SwiftR/IMMEDIATE-TODO =================================================================== --- SwiftApps/SwiftR/IMMEDIATE-TODO 2011-04-08 21:00:23 UTC (rev 4328) +++ SwiftApps/SwiftR/IMMEDIATE-TODO 2011-04-08 21:00:51 UTC (rev 4329) @@ -6,10 +6,23 @@ VERY HIGH: +-- Streamlined tutorial for Multicore: + * Simple page with nothing aside from R commands for simplest case + * link to installation instructions + * link to advanced info + +VERY HIGH: -- OpenMx doco on wiki VERY HIGH: -- get working on beagle. +-- Debug Ideas: + - Minimal C program which causes issues + * Pthreads + forking + - Compile R with symbols and stack trace + - Cray debugging tools + - Might be something that happens at link time: + startup code for one of libraries VERY HIGH: -- Benchmarks From tga at ci.uchicago.edu Fri Apr 8 17:08:19 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Fri, 8 Apr 2011 17:08:19 -0500 (CDT) Subject: [Swift-commit] r4330 - SwiftApps/SwiftR/Swift/R Message-ID: <20110408220819.D2E2B9CC6B@svn.ci.uchicago.edu> Author: tga Date: 2011-04-08 17:08:19 -0500 (Fri, 08 Apr 2011) New Revision: 4330 Modified: SwiftApps/SwiftR/Swift/R/Workers.R Log: Made return of swiftInit silent. Modified: SwiftApps/SwiftR/Swift/R/Workers.R =================================================================== --- SwiftApps/SwiftR/Swift/R/Workers.R 2011-04-08 21:00:51 UTC (rev 4329) +++ SwiftApps/SwiftR/Swift/R/Workers.R 2011-04-08 22:08:19 UTC (rev 4330) @@ -247,7 +247,7 @@ # Sleep to give start-swift time to set up fifos,etc Sys.sleep(2) - return (output) + return (invisible(output)) } swiftShutdown <- function(handle=NULL, all=FALSE) { From tga at ci.uchicago.edu Fri Apr 8 17:08:38 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Fri, 8 Apr 2011 17:08:38 -0500 (CDT) Subject: [Swift-commit] r4331 - SwiftApps/SwiftR/Swift/man Message-ID: <20110408220838.BC1029CC6B@svn.ci.uchicago.edu> Author: tga Date: 2011-04-08 17:08:38 -0500 (Fri, 08 Apr 2011) New Revision: 4331 Modified: SwiftApps/SwiftR/Swift/man/swiftapply.Rd Log: Mentioned swiftSapply Modified: SwiftApps/SwiftR/Swift/man/swiftapply.Rd =================================================================== --- SwiftApps/SwiftR/Swift/man/swiftapply.Rd 2011-04-08 22:08:19 UTC (rev 4330) +++ SwiftApps/SwiftR/Swift/man/swiftapply.Rd 2011-04-08 22:08:38 UTC (rev 4331) @@ -1,5 +1,6 @@ \name{swiftapply} \alias{swiftLapply} +\alias{swiftSapply} \alias{swiftapply} %- Also NEED an '\alias' for EACH other topic documented here. \title{ @@ -13,8 +14,11 @@ swiftLapply behaves in the same way as the serial \code{lapply} function. + + swiftSapply behaves in the same way as the serial \code{sapply} + function. - swiftapply + swiftapply is a more general function that takes additional arguments. } \usage{ swiftapply(func, arglists, server = NULL, callsperbatch = NULL, runmode = NULL, initialexpr = NULL, workerhosts = NULL, keepwork = NULL, tmpdir = NULL, timeout = NULL, quiet = FALSE) From wozniak at ci.uchicago.edu Fri Apr 8 18:45:03 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Fri, 8 Apr 2011 18:45:03 -0500 (CDT) Subject: [Swift-commit] r4332 - trunk/tests/groups Message-ID: <20110408234503.31680FC41@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-08 18:45:03 -0500 (Fri, 08 Apr 2011) New Revision: 4332 Added: trunk/tests/groups/group-cdm.sh Log: Test group for CDM Added: trunk/tests/groups/group-cdm.sh =================================================================== --- trunk/tests/groups/group-cdm.sh (rev 0) +++ trunk/tests/groups/group-cdm.sh 2011-04-08 23:45:03 UTC (rev 4332) @@ -0,0 +1,6 @@ + +# GROUPLIST definition to run local CDM tests + +GROUPLIST=( $TESTDIR/cdm ) + +checkvars WORK From jonmon at ci.uchicago.edu Mon Apr 11 12:54:47 2011 From: jonmon at ci.uchicago.edu (jonmon at ci.uchicago.edu) Date: Mon, 11 Apr 2011 12:54:47 -0500 (CDT) Subject: [Swift-commit] r4333 - SwiftApps/Montage/scripts Message-ID: <20110411175447.4DC709CCB1@svn.ci.uchicago.edu> Author: jonmon Date: 2011-04-11 12:54:47 -0500 (Mon, 11 Apr 2011) New Revision: 4333 Modified: SwiftApps/Montage/scripts/Swift_Montage_Batch.swift SwiftApps/Montage/scripts/mDiff_wrap.sh SwiftApps/Montage/scripts/mFitplane_wrap.sh Log: o SwiftApps/Montage/scripts/mFitplane_wrap.sh o SwiftApps/Montage/scripts/mDiff_wrap.sh -- Changed to line to mkdir -p so mkdir will not clobber an already created directory. -- always touch the file to make sure that the file is created o SwiftApps/Montage/scripts/Swift_Montage_Batch.swift -- Changed to always use the slower mProject operation until I can figure out how to choose between the fast projection and the regular projection Modified: SwiftApps/Montage/scripts/Swift_Montage_Batch.swift =================================================================== --- SwiftApps/Montage/scripts/Swift_Montage_Batch.swift 2011-04-08 23:45:03 UTC (rev 4332) +++ SwiftApps/Montage/scripts/Swift_Montage_Batch.swift 2011-04-11 17:54:47 UTC (rev 4333) @@ -61,8 +61,8 @@ foreach img, i in raw_imgs { Image proj_img ; - proj_img = mProjectPP( img, hdr ); -// proj_img = mProject( img, hdr ); +// proj_img = mProjectPP( img, hdr ); + proj_img = mProject( img, hdr ); proj_imgs[ i ] = proj_img; } Modified: SwiftApps/Montage/scripts/mDiff_wrap.sh =================================================================== --- SwiftApps/Montage/scripts/mDiff_wrap.sh 2011-04-08 23:45:03 UTC (rev 4332) +++ SwiftApps/Montage/scripts/mDiff_wrap.sh 2011-04-11 17:54:47 UTC (rev 4333) @@ -1,7 +1,8 @@ #!/bin/bash mDiff $1 $2 $3 $4 $5 -if [ $? == 1 ]; then - touch $4 -fi + +mkdir -p `dirname $4` +touch $4 + exit 0 Modified: SwiftApps/Montage/scripts/mFitplane_wrap.sh =================================================================== --- SwiftApps/Montage/scripts/mFitplane_wrap.sh 2011-04-08 23:45:03 UTC (rev 4332) +++ SwiftApps/Montage/scripts/mFitplane_wrap.sh 2011-04-11 17:54:47 UTC (rev 4333) @@ -1,7 +1,8 @@ #!/bin/bash mFitplane $1 $2 $3 -if [ $? == 1 ]; then - touch $2 -fi + +mkdir -p `dirname $2` +touch $2 + exit 0 From jonmon at ci.uchicago.edu Mon Apr 11 13:16:23 2011 From: jonmon at ci.uchicago.edu (jonmon at ci.uchicago.edu) Date: Mon, 11 Apr 2011 13:16:23 -0500 (CDT) Subject: [Swift-commit] r4334 - in SwiftApps/Montage: . etc exec Message-ID: <20110411181623.41CD29CCB1@svn.ci.uchicago.edu> Author: jonmon Date: 2011-04-11 13:16:23 -0500 (Mon, 11 Apr 2011) New Revision: 4334 Added: SwiftApps/Montage/etc/ SwiftApps/Montage/etc/swift_montage.properties Removed: SwiftApps/Montage/swift_montage.properties Modified: SwiftApps/Montage/exec/montage.sh Log: o SwiftApps/Montage/etc -- Added directory. Currently only holds swift properties file o SwiftApps/Montage/exec/montage.sh -- Minor change Added: SwiftApps/Montage/etc/swift_montage.properties =================================================================== --- SwiftApps/Montage/etc/swift_montage.properties (rev 0) +++ SwiftApps/Montage/etc/swift_montage.properties 2011-04-11 18:16:23 UTC (rev 4334) @@ -0,0 +1,7 @@ +execution.retries=0 +sitedir.keep=true +status.mode=provider +wrapper.log.always.transfer=true +foreach.maxthreads=1024 +wrapper.parameter.mode=files + Modified: SwiftApps/Montage/exec/montage.sh =================================================================== --- SwiftApps/Montage/exec/montage.sh 2011-04-11 17:54:47 UTC (rev 4333) +++ SwiftApps/Montage/exec/montage.sh 2011-04-11 18:16:23 UTC (rev 4334) @@ -1,6 +1,6 @@ #!/bin/bash -EXPECTED_ARGS=1 +EXPECTED_ARGS=2 if [ $# -ne $EXPECTED_ARGS ] then @@ -29,6 +29,8 @@ mv sites.xml ${WORK_DIRECTORY} mv tc.data ${WORK_DIRECTORY} -cp montage.swift ${WORK_DIRECTORY} +cp $2 ${WORK_DIRECTORY} +cd ${WORK_DIRECTORY} +#swift -tc.file tc.data -sites.file sites.xml -config ${SWIFT_MONTAGE}/etcswift_montage.properties #clear ; swiftrun -sites localhost pads -input raw_dir header.hdr -script m101_montage.swift Deleted: SwiftApps/Montage/swift_montage.properties =================================================================== --- SwiftApps/Montage/swift_montage.properties 2011-04-11 17:54:47 UTC (rev 4333) +++ SwiftApps/Montage/swift_montage.properties 2011-04-11 18:16:23 UTC (rev 4334) @@ -1,7 +0,0 @@ -execution.retries=0 -sitedir.keep=true -status.mode=provider -wrapper.log.always.transfer=true -foreach.maxthreads=1024 -wrapper.parameter.mode=files - From jonmon at ci.uchicago.edu Mon Apr 11 14:44:53 2011 From: jonmon at ci.uchicago.edu (jonmon at ci.uchicago.edu) Date: Mon, 11 Apr 2011 14:44:53 -0500 (CDT) Subject: [Swift-commit] r4335 - in SwiftApps/Montage: . exec Message-ID: <20110411194453.203E39CCB1@svn.ci.uchicago.edu> Author: jonmon Date: 2011-04-11 14:44:52 -0500 (Mon, 11 Apr 2011) New Revision: 4335 Added: SwiftApps/Montage/TODO Modified: SwiftApps/Montage/exec/montage.sh Log: o SwiftApps/Montage/exec/montage.sh -- Minor change o SwiftApps/Montage/TODO -- Added TODO file Added: SwiftApps/Montage/TODO =================================================================== --- SwiftApps/Montage/TODO (rev 0) +++ SwiftApps/Montage/TODO 2011-04-11 19:44:52 UTC (rev 4335) @@ -0,0 +1,14 @@ +o exec/montage.sh + -- Fix how to calculate the run directory + -- Figure out how to specify what site location that are going to be run on and do gensites on the templates + -- Make sure all environment variables are set that are needed to run the execution script + +o templates + -- Add more templates for other machines. For sure needs localhost + +o scripts/Swift_Montage_Batch.swift + -- Need to fix mProjectBatch. Currently calls mProject blindly. Need to figure out how to choose between mProject and mProjectPP + +o test runs + -- Need to do some test runs from some of the files from the big test. Need to verify that Montage works correctly if some files are not created. + -- Need to test to make sure calling mOverlaps on the raw-directory is the correct thing to do. The tutorial shows that mOverlaps is supposed to be called on proj_dir not raw_dir. Maybe this is a situational decision in which case this is an easy fix. Modified: SwiftApps/Montage/exec/montage.sh =================================================================== --- SwiftApps/Montage/exec/montage.sh 2011-04-11 18:16:23 UTC (rev 4334) +++ SwiftApps/Montage/exec/montage.sh 2011-04-11 19:44:52 UTC (rev 4335) @@ -31,6 +31,6 @@ mv tc.data ${WORK_DIRECTORY} cp $2 ${WORK_DIRECTORY} cd ${WORK_DIRECTORY} -#swift -tc.file tc.data -sites.file sites.xml -config ${SWIFT_MONTAGE}/etcswift_montage.properties +#swift -tc.file tc.data -sites.file sites.xml -config ${SWIFT_MONTAGE}/etc swift_montage.properties #clear ; swiftrun -sites localhost pads -input raw_dir header.hdr -script m101_montage.swift From jonmon at ci.uchicago.edu Mon Apr 11 22:46:40 2011 From: jonmon at ci.uchicago.edu (jonmon at ci.uchicago.edu) Date: Mon, 11 Apr 2011 22:46:40 -0500 (CDT) Subject: [Swift-commit] r4336 - in SwiftApps/Montage: . scripts Message-ID: <20110412034640.21AFD9CCB1@svn.ci.uchicago.edu> Author: jonmon Date: 2011-04-11 22:46:39 -0500 (Mon, 11 Apr 2011) New Revision: 4336 Modified: SwiftApps/Montage/TODO SwiftApps/Montage/scripts/Swift_Montage_Batch.swift Log: o SwiftApps/Montage/TODO -- Modifications to the TODO list o SwiftApps/Montage/scripts/Swift_Montage_Batch.swift -- Modifications to the mDiffBatch function. Assumes that the images that will be processed are in the raw_dir directory. Modified: SwiftApps/Montage/TODO =================================================================== --- SwiftApps/Montage/TODO 2011-04-11 19:44:52 UTC (rev 4335) +++ SwiftApps/Montage/TODO 2011-04-12 03:46:39 UTC (rev 4336) @@ -1,3 +1,12 @@ +o test runs + -- Need to do some test runs from some of the files from the big test. Need to verify that Montage works correctly if some files are not created. + -- Need to test to make sure calling mOverlaps on the raw-directory is the correct thing to do. The tutorial shows that mOverlaps is supposed to be called on proj_dir not raw_dir. Maybe this is a situational decision in which case this is an easy fix. + +o scripts/Swift_Montage_Batch.swift + -- Need to fix mDiffBatch. Right now I have it assume the files will be in raw_dir. I need to have this be more general. Perhaps pass in the directory the images live in. + -- Need to fix mProjectBatch. Currently calls mProject blindly. Need to figure out how to choose between mProject and mProjectPP + -- Must map out the area files as well. Then change all the app procedures accordingly to remove the -n option.(-n stands for ignore the area files) + o exec/montage.sh -- Fix how to calculate the run directory -- Figure out how to specify what site location that are going to be run on and do gensites on the templates @@ -6,9 +15,5 @@ o templates -- Add more templates for other machines. For sure needs localhost -o scripts/Swift_Montage_Batch.swift - -- Need to fix mProjectBatch. Currently calls mProject blindly. Need to figure out how to choose between mProject and mProjectPP - -o test runs - -- Need to do some test runs from some of the files from the big test. Need to verify that Montage works correctly if some files are not created. - -- Need to test to make sure calling mOverlaps on the raw-directory is the correct thing to do. The tutorial shows that mOverlaps is supposed to be called on proj_dir not raw_dir. Maybe this is a situational decision in which case this is an easy fix. +o sites files + -- Create different pool entries. One for projectiog, calculating difference images, and background rectification. Each one will require different number of workers to execute with so different pool entries will be required. This will also change the tc.data files. \ No newline at end of file Modified: SwiftApps/Montage/scripts/Swift_Montage_Batch.swift =================================================================== --- SwiftApps/Montage/scripts/Swift_Montage_Batch.swift 2011-04-11 19:44:52 UTC (rev 4335) +++ SwiftApps/Montage/scripts/Swift_Montage_Batch.swift 2011-04-12 03:46:39 UTC (rev 4336) @@ -28,11 +28,11 @@ { /* Not always going to be in proj_dir. Maybe read diff_tbl for directory. */ /* Not sure if the information is there. */ - Image proj_1 ; - Image proj_2 ; + Image img_1 ; + Image img_2 ; Image diff_img ; - diff_img = mDiff( proj_1, proj_2, hdr ); + diff_img = mDiff( img_1, img_2, hdr ); diff_imgs[ i ] = diff_img; From tga at ci.uchicago.edu Tue Apr 12 08:39:36 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Tue, 12 Apr 2011 08:39:36 -0500 (CDT) Subject: [Swift-commit] r4337 - in SwiftApps/SwiftR/Swift: . exec Message-ID: <20110412133936.BD67E9D909@svn.ci.uchicago.edu> Author: tga Date: 2011-04-12 08:39:36 -0500 (Tue, 12 Apr 2011) New Revision: 4337 Modified: SwiftApps/SwiftR/Swift/DESCRIPTION SwiftApps/SwiftR/Swift/exec/configure-server-local SwiftApps/SwiftR/Swift/exec/fiforead SwiftApps/SwiftR/Swift/exec/passive-coaster-swift SwiftApps/SwiftR/Swift/exec/start-swift Log: Compatibility changes working towards getting SwiftR working on Mac: removed dependence on linux-specific version of seq, mktmp, etc. Modified: SwiftApps/SwiftR/Swift/DESCRIPTION =================================================================== --- SwiftApps/SwiftR/Swift/DESCRIPTION 2011-04-12 03:46:39 UTC (rev 4336) +++ SwiftApps/SwiftR/Swift/DESCRIPTION 2011-04-12 13:39:36 UTC (rev 4337) @@ -1,12 +1,12 @@ Package: Swift Type: Package Title: R interface to Swift parallel scripting languaage -Version: 0.1.7 -Date: 2011-04-29 +Version: 0.1.8 +Date: 2011-04-12 Author: Michael Wilde Maintainer: Michael Wilde Description: Routines to invoke R functions on remote resources through Swift. License: Apache License LazyLoad: yes -Packaged: 2011-04-29; Tim Armstrong +Packaged: 2011-04-12; Tim Armstrong Modified: SwiftApps/SwiftR/Swift/exec/configure-server-local =================================================================== --- SwiftApps/SwiftR/Swift/exec/configure-server-local 2011-04-12 03:46:39 UTC (rev 4336) +++ SwiftApps/SwiftR/Swift/exec/configure-server-local 2011-04-12 13:39:36 UTC (rev 4337) @@ -29,7 +29,7 @@ END -for i in `seq -w 0 $((cores-1))`; do +for i in `$SEQ 0 $((cores-1))`; do # FIXME: how to get the right PATH for R in here? # use /bin/sh and count on users PATH? Modified: SwiftApps/SwiftR/Swift/exec/fiforead =================================================================== --- SwiftApps/SwiftR/Swift/exec/fiforead 2011-04-12 03:46:39 UTC (rev 4336) +++ SwiftApps/SwiftR/Swift/exec/fiforead 2011-04-12 13:39:36 UTC (rev 4337) @@ -24,7 +24,7 @@ echo "Invalid option: $OPTARG" ;; esac done -outfile=`mktemp` +outfile=`mktemp -t swiftR.XXXXXX` function cleanup { if [ "$tout_pid" != "" ]; then Modified: SwiftApps/SwiftR/Swift/exec/passive-coaster-swift =================================================================== --- SwiftApps/SwiftR/Swift/exec/passive-coaster-swift 2011-04-12 03:46:39 UTC (rev 4336) +++ SwiftApps/SwiftR/Swift/exec/passive-coaster-swift 2011-04-12 13:39:36 UTC (rev 4337) @@ -47,7 +47,7 @@ exit 1 fi -out=`mktemp swift.stdouterr.XXXX` +out=`mktemp -t swift.stdouterr.XXXX` touch $out sshpidfile=${out/stdouterr/workerpids} Modified: SwiftApps/SwiftR/Swift/exec/start-swift =================================================================== --- SwiftApps/SwiftR/Swift/exec/start-swift 2011-04-12 03:46:39 UTC (rev 4336) +++ SwiftApps/SwiftR/Swift/exec/start-swift 2011-04-12 13:39:36 UTC (rev 4337) @@ -15,7 +15,7 @@ # Look for: # Passive queue processor initialized. Callback URI is http://140.221.8.62:55379 - for try in $(seq 1 20); do + for try in $($SEQ 1 20); do uriline=$(grep "Passive queue processor initialized. Callback URI is" $out 2> /dev/null) if [ "_$uriline" = _ ]; then sleep 1 @@ -315,13 +315,13 @@ # FIXME: set up for capturing batch job id: rm -rf remotepid.* # FIXME: should not be needed if we start in a new dir each time if [ "${server}" = "cobalt" ] ; then + # mktemp only works on some unices - but I don't believe + # Cobalt is deployed on too wide a varieties of settings SUBMIT_FILE=$(mktemp -p $HOME SwiftR-batch.XXXXXX) else SUBMIT_FILE=batch.sub fi make-${server}-submit-file $SUBMIT_FILE - #FIXME: doesn't work for SGE on IBI cluster as there is additional text - # returned by qsub if [ "${server}" = "sge" ] then @@ -508,6 +508,7 @@ done SWIFTRBIN=$(cd $(dirname $0); pwd) +source $SWIFTRBIN/compat-setup SWIFTBIN=$SWIFTRBIN/../swift/bin # This depends on ~/SwiftR/Swift/swift being a symlink to swift in RLibrary/Swift rundir=$tmp/$USER/SwiftR/swift.$server # rundir prefix # FIXME: handle multiple concurent independent swift servers per user @@ -581,8 +582,7 @@ cores=$defaultLocalCores fi echo project=$project cores=$cores nodes=$nodes queue=$queue server=$server throttle=$throttle - - + source $SWIFTRBIN/configure-server-local $cores function onexit { stdcleanup_start From tga at ci.uchicago.edu Tue Apr 12 09:23:49 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Tue, 12 Apr 2011 09:23:49 -0500 (CDT) Subject: [Swift-commit] r4338 - SwiftApps/SwiftR/Swift/exec Message-ID: <20110412142349.3A3249CCB1@svn.ci.uchicago.edu> Author: tga Date: 2011-04-12 09:23:49 -0500 (Tue, 12 Apr 2011) New Revision: 4338 Modified: SwiftApps/SwiftR/Swift/exec/EvalRBatchPersistent.sh Log: Removed attempt to run .bashrc - turned out to have bad side effects on some configurations. Better solution is to use softenv or simiplar system. Modified: SwiftApps/SwiftR/Swift/exec/EvalRBatchPersistent.sh =================================================================== --- SwiftApps/SwiftR/Swift/exec/EvalRBatchPersistent.sh 2011-04-12 13:39:36 UTC (rev 4337) +++ SwiftApps/SwiftR/Swift/exec/EvalRBatchPersistent.sh 2011-04-12 14:23:49 UTC (rev 4338) @@ -15,16 +15,6 @@ exit 1 fi -# Load bash profile: may need this to resolve R libraries -if [ -f ~/.swiftbash_profile ]; then - source ~/.swiftbash_profile -else - if [ -f ~/.bash_profile ]; then - source ~/.bash_profile - fi -fi - - # tmp=/tmp # FIXME: allow this to change eg for sites with main tmp dir elsewhere # tmp=/scratch/local # FIXME: allow this to change eg for sites with main tmp dir elsewhere tmp=${SWIFTR_TMP:-${TMP:-/tmp}} From tga at ci.uchicago.edu Tue Apr 12 10:34:22 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Tue, 12 Apr 2011 10:34:22 -0500 (CDT) Subject: [Swift-commit] r4339 - SwiftApps/SwiftR/Swift/exec Message-ID: <20110412153422.F3EB39CCB1@svn.ci.uchicago.edu> Author: tga Date: 2011-04-12 10:34:22 -0500 (Tue, 12 Apr 2011) New Revision: 4339 Added: SwiftApps/SwiftR/Swift/exec/compat-setup Log: Missing file. Added: SwiftApps/SwiftR/Swift/exec/compat-setup =================================================================== --- SwiftApps/SwiftR/Swift/exec/compat-setup (rev 0) +++ SwiftApps/SwiftR/Swift/exec/compat-setup 2011-04-12 15:34:22 UTC (rev 4339) @@ -0,0 +1,19 @@ +#!/bin/sh +# sets variables to handle compatibility issues + +if [ -f "`which seq 2> /dev/null`" ] +then + SEQ=seq +else + SEQ="jot -" +fi + +if [ -f "`mktemp 2> /dev/null`" ]; then + MKTEMP=mktemp +elif [ -f "`mktemp -t swiftR 2> /dev/null`" ]; then + # mac OS + MKTEMP="mktemp -t swiftR" +else + echo Could not find valid mktemp, exiting + exit 1 +fi From tga at ci.uchicago.edu Tue Apr 12 10:56:43 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Tue, 12 Apr 2011 10:56:43 -0500 (CDT) Subject: [Swift-commit] r4340 - SwiftApps/SwiftR/Swift/exec Message-ID: <20110412155643.057149D909@svn.ci.uchicago.edu> Author: tga Date: 2011-04-12 10:56:42 -0500 (Tue, 12 Apr 2011) New Revision: 4340 Modified: SwiftApps/SwiftR/Swift/exec/configure-server-cobalt SwiftApps/SwiftR/Swift/exec/configure-server-crayxt SwiftApps/SwiftR/Swift/exec/configure-server-local SwiftApps/SwiftR/Swift/exec/configure-server-pbs SwiftApps/SwiftR/Swift/exec/configure-server-pbsauto SwiftApps/SwiftR/Swift/exec/configure-server-sge SwiftApps/SwiftR/Swift/exec/configure-server-ssh Log: Pass R_LIBS_USER env var to worker. Modified: SwiftApps/SwiftR/Swift/exec/configure-server-cobalt =================================================================== --- SwiftApps/SwiftR/Swift/exec/configure-server-cobalt 2011-04-12 15:34:22 UTC (rev 4339) +++ SwiftApps/SwiftR/Swift/exec/configure-server-cobalt 2011-04-12 15:56:42 UTC (rev 4340) @@ -28,6 +28,7 @@ $cores $throttle 10000 + $R_LIBS_USER $(pwd)/swiftwork $(pwd)/swiftscratch Modified: SwiftApps/SwiftR/Swift/exec/configure-server-crayxt =================================================================== --- SwiftApps/SwiftR/Swift/exec/configure-server-crayxt 2011-04-12 15:34:22 UTC (rev 4339) +++ SwiftApps/SwiftR/Swift/exec/configure-server-crayxt 2011-04-12 15:56:42 UTC (rev 4340) @@ -37,6 +37,7 @@ $LUSTRE_TMP $LUSTRE_TMP $LD_LIBRARY_PATH + $R_LIBS_USER $LUSTRE_TMP/swiftwork $LUSTRE_TMP/swiftscratch Modified: SwiftApps/SwiftR/Swift/exec/configure-server-local =================================================================== --- SwiftApps/SwiftR/Swift/exec/configure-server-local 2011-04-12 15:34:22 UTC (rev 4339) +++ SwiftApps/SwiftR/Swift/exec/configure-server-local 2011-04-12 15:56:42 UTC (rev 4340) @@ -25,6 +25,8 @@ 0.15 10000 + $LD_LIBRARY_PATH + $R_LIBS_USER $(pwd)/swiftwork END @@ -45,6 +47,7 @@ $throttleOneCore 10000 $LD_LIBRARY_PATH + $R_LIBS_USER $(pwd)/swiftwork Modified: SwiftApps/SwiftR/Swift/exec/configure-server-pbs =================================================================== --- SwiftApps/SwiftR/Swift/exec/configure-server-pbs 2011-04-12 15:34:22 UTC (rev 4339) +++ SwiftApps/SwiftR/Swift/exec/configure-server-pbs 2011-04-12 15:56:42 UTC (rev 4340) @@ -22,6 +22,7 @@ 0.15 10000 + $R_LIBS_USER $(pwd)/swiftwork @@ -32,6 +33,7 @@ $throttlePBS 10000 + $R_LIBS_USER $(pwd)/swiftwork $(pwd)/swiftscratch Modified: SwiftApps/SwiftR/Swift/exec/configure-server-pbsauto =================================================================== --- SwiftApps/SwiftR/Swift/exec/configure-server-pbsauto 2011-04-12 15:34:22 UTC (rev 4339) +++ SwiftApps/SwiftR/Swift/exec/configure-server-pbsauto 2011-04-12 15:56:42 UTC (rev 4340) @@ -14,6 +14,7 @@ 0.15 10000 + $R_LIBS_USER $(pwd)/swiftwork @@ -24,6 +25,7 @@ $throttlePBS 10000 + $R_LIBS_USER $HOME/swiftwork Modified: SwiftApps/SwiftR/Swift/exec/configure-server-sge =================================================================== --- SwiftApps/SwiftR/Swift/exec/configure-server-sge 2011-04-12 15:34:22 UTC (rev 4339) +++ SwiftApps/SwiftR/Swift/exec/configure-server-sge 2011-04-12 15:56:42 UTC (rev 4340) @@ -20,6 +20,7 @@ 0.15 10000 + $R_LIBS_USER $(pwd)/swiftwork file Modified: SwiftApps/SwiftR/Swift/exec/configure-server-ssh =================================================================== --- SwiftApps/SwiftR/Swift/exec/configure-server-ssh 2011-04-12 15:34:22 UTC (rev 4339) +++ SwiftApps/SwiftR/Swift/exec/configure-server-ssh 2011-04-12 15:56:42 UTC (rev 4340) @@ -16,6 +16,7 @@ 0.15 10000 + $R_LIBS_USER $(pwd)/swiftwork From tga at ci.uchicago.edu Tue Apr 12 11:40:10 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Tue, 12 Apr 2011 11:40:10 -0500 (CDT) Subject: [Swift-commit] r4341 - SwiftApps/SwiftR/Swift/exec Message-ID: <20110412164010.6B79C9D909@svn.ci.uchicago.edu> Author: tga Date: 2011-04-12 11:40:10 -0500 (Tue, 12 Apr 2011) New Revision: 4341 Modified: SwiftApps/SwiftR/Swift/exec/configure-server-crayxt SwiftApps/SwiftR/Swift/exec/start-swift Log: Settings for crayxt which work for inslge core case Modified: SwiftApps/SwiftR/Swift/exec/configure-server-crayxt =================================================================== --- SwiftApps/SwiftR/Swift/exec/configure-server-crayxt 2011-04-12 15:56:42 UTC (rev 4340) +++ SwiftApps/SwiftR/Swift/exec/configure-server-crayxt 2011-04-12 16:40:10 UTC (rev 4341) @@ -31,12 +31,16 @@ passive $cores + $throttlePBS 10000 $LUSTRE_TMP $LUSTRE_TMP $LD_LIBRARY_PATH + 5 $R_LIBS_USER $LUSTRE_TMP/swiftwork $LUSTRE_TMP/swiftscratch Modified: SwiftApps/SwiftR/Swift/exec/start-swift =================================================================== --- SwiftApps/SwiftR/Swift/exec/start-swift 2011-04-12 15:56:42 UTC (rev 4340) +++ SwiftApps/SwiftR/Swift/exec/start-swift 2011-04-12 16:40:10 UTC (rev 4341) @@ -213,8 +213,8 @@ #TODO: lustre working directory? -aprun -N 1 -d $cores -n $(($cores*$nodes)) \ - /usr/bin/perl $SWIFTBIN/worker.pl $CONTACT SwiftR-\$h $HOME/.globus/coasters $IDLETIMEOUT +aprun -B -F exclusive -cc none \ + /usr/bin/perl $SWIFTBIN/worker.pl $CONTACT SwiftR $HOME/.globus/coasters $IDLETIMEOUT END } From wozniak at ci.uchicago.edu Tue Apr 12 13:27:19 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Tue, 12 Apr 2011 13:27:19 -0500 (CDT) Subject: [Swift-commit] r4342 - trunk/tests/providers/local-pbs/beagle Message-ID: <20110412182719.9686F9D909@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-12 13:27:19 -0500 (Tue, 12 Apr 2011) New Revision: 4342 Added: trunk/tests/providers/local-pbs/beagle/001-catsn.check.sh trunk/tests/providers/local-pbs/beagle/001-catsn.setup.sh trunk/tests/providers/local-pbs/beagle/001-catsn.swift trunk/tests/providers/local-pbs/beagle/001-catsn.timeout trunk/tests/providers/local-pbs/beagle/catsn.0001.out.expected trunk/tests/providers/local-pbs/beagle/catsn.0002.out.expected trunk/tests/providers/local-pbs/beagle/catsn.0003.out.expected trunk/tests/providers/local-pbs/beagle/catsn.0004.out.expected trunk/tests/providers/local-pbs/beagle/catsn.0005.out.expected trunk/tests/providers/local-pbs/beagle/catsn.0006.out.expected trunk/tests/providers/local-pbs/beagle/catsn.0007.out.expected trunk/tests/providers/local-pbs/beagle/catsn.0008.out.expected trunk/tests/providers/local-pbs/beagle/catsn.0009.out.expected trunk/tests/providers/local-pbs/beagle/catsn.0010.out.expected trunk/tests/providers/local-pbs/beagle/data.txt Modified: trunk/tests/providers/local-pbs/beagle/tc.template.data Log: Complete this test with application from PADS Added: trunk/tests/providers/local-pbs/beagle/001-catsn.check.sh =================================================================== --- trunk/tests/providers/local-pbs/beagle/001-catsn.check.sh (rev 0) +++ trunk/tests/providers/local-pbs/beagle/001-catsn.check.sh 2011-04-12 18:27:19 UTC (rev 4342) @@ -0,0 +1,9 @@ +#!/bin/bash + +# Pseudo-code for now + +# for f in *.out.expected +# do +# assert *.out exists +# assert *.out.expected == *.out +# done Property changes on: trunk/tests/providers/local-pbs/beagle/001-catsn.check.sh ___________________________________________________________________ Name: svn:executable + * Added: trunk/tests/providers/local-pbs/beagle/001-catsn.setup.sh =================================================================== --- trunk/tests/providers/local-pbs/beagle/001-catsn.setup.sh (rev 0) +++ trunk/tests/providers/local-pbs/beagle/001-catsn.setup.sh 2011-04-12 18:27:19 UTC (rev 4342) @@ -0,0 +1,4 @@ +#!/bin/bash + +cp -v $GROUP/data.txt . || exit 1 +cp -v $GROUP/*expected . || exit 1 Property changes on: trunk/tests/providers/local-pbs/beagle/001-catsn.setup.sh ___________________________________________________________________ Name: svn:executable + * Added: trunk/tests/providers/local-pbs/beagle/001-catsn.swift =================================================================== --- trunk/tests/providers/local-pbs/beagle/001-catsn.swift (rev 0) +++ trunk/tests/providers/local-pbs/beagle/001-catsn.swift 2011-04-12 18:27:19 UTC (rev 4342) @@ -0,0 +1,15 @@ +type file; + +app (file o) cat (file i) +{ + cat @i stdout=@o; +} + +// string t = "abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789"; +// string char[] = @strsplit(t, ""); + +file out[]; +foreach j in [1:@toint(@arg("n","10"))] { + file data<"data.txt">; + out[j] = cat(data); +} Added: trunk/tests/providers/local-pbs/beagle/001-catsn.timeout =================================================================== --- trunk/tests/providers/local-pbs/beagle/001-catsn.timeout (rev 0) +++ trunk/tests/providers/local-pbs/beagle/001-catsn.timeout 2011-04-12 18:27:19 UTC (rev 4342) @@ -0,0 +1 @@ +180 Added: trunk/tests/providers/local-pbs/beagle/catsn.0001.out.expected =================================================================== --- trunk/tests/providers/local-pbs/beagle/catsn.0001.out.expected (rev 0) +++ trunk/tests/providers/local-pbs/beagle/catsn.0001.out.expected 2011-04-12 18:27:19 UTC (rev 4342) @@ -0,0 +1 @@ +Hello world Added: trunk/tests/providers/local-pbs/beagle/catsn.0002.out.expected =================================================================== --- trunk/tests/providers/local-pbs/beagle/catsn.0002.out.expected (rev 0) +++ trunk/tests/providers/local-pbs/beagle/catsn.0002.out.expected 2011-04-12 18:27:19 UTC (rev 4342) @@ -0,0 +1 @@ +Hello world Added: trunk/tests/providers/local-pbs/beagle/catsn.0003.out.expected =================================================================== --- trunk/tests/providers/local-pbs/beagle/catsn.0003.out.expected (rev 0) +++ trunk/tests/providers/local-pbs/beagle/catsn.0003.out.expected 2011-04-12 18:27:19 UTC (rev 4342) @@ -0,0 +1 @@ +Hello world Added: trunk/tests/providers/local-pbs/beagle/catsn.0004.out.expected =================================================================== --- trunk/tests/providers/local-pbs/beagle/catsn.0004.out.expected (rev 0) +++ trunk/tests/providers/local-pbs/beagle/catsn.0004.out.expected 2011-04-12 18:27:19 UTC (rev 4342) @@ -0,0 +1 @@ +Hello world Added: trunk/tests/providers/local-pbs/beagle/catsn.0005.out.expected =================================================================== --- trunk/tests/providers/local-pbs/beagle/catsn.0005.out.expected (rev 0) +++ trunk/tests/providers/local-pbs/beagle/catsn.0005.out.expected 2011-04-12 18:27:19 UTC (rev 4342) @@ -0,0 +1 @@ +Hello world Added: trunk/tests/providers/local-pbs/beagle/catsn.0006.out.expected =================================================================== --- trunk/tests/providers/local-pbs/beagle/catsn.0006.out.expected (rev 0) +++ trunk/tests/providers/local-pbs/beagle/catsn.0006.out.expected 2011-04-12 18:27:19 UTC (rev 4342) @@ -0,0 +1 @@ +Hello world Added: trunk/tests/providers/local-pbs/beagle/catsn.0007.out.expected =================================================================== --- trunk/tests/providers/local-pbs/beagle/catsn.0007.out.expected (rev 0) +++ trunk/tests/providers/local-pbs/beagle/catsn.0007.out.expected 2011-04-12 18:27:19 UTC (rev 4342) @@ -0,0 +1 @@ +Hello world Added: trunk/tests/providers/local-pbs/beagle/catsn.0008.out.expected =================================================================== --- trunk/tests/providers/local-pbs/beagle/catsn.0008.out.expected (rev 0) +++ trunk/tests/providers/local-pbs/beagle/catsn.0008.out.expected 2011-04-12 18:27:19 UTC (rev 4342) @@ -0,0 +1 @@ +Hello world Added: trunk/tests/providers/local-pbs/beagle/catsn.0009.out.expected =================================================================== --- trunk/tests/providers/local-pbs/beagle/catsn.0009.out.expected (rev 0) +++ trunk/tests/providers/local-pbs/beagle/catsn.0009.out.expected 2011-04-12 18:27:19 UTC (rev 4342) @@ -0,0 +1 @@ +Hello world Added: trunk/tests/providers/local-pbs/beagle/catsn.0010.out.expected =================================================================== --- trunk/tests/providers/local-pbs/beagle/catsn.0010.out.expected (rev 0) +++ trunk/tests/providers/local-pbs/beagle/catsn.0010.out.expected 2011-04-12 18:27:19 UTC (rev 4342) @@ -0,0 +1 @@ +Hello world Added: trunk/tests/providers/local-pbs/beagle/data.txt =================================================================== --- trunk/tests/providers/local-pbs/beagle/data.txt (rev 0) +++ trunk/tests/providers/local-pbs/beagle/data.txt 2011-04-12 18:27:19 UTC (rev 4342) @@ -0,0 +1 @@ +Hello world Modified: trunk/tests/providers/local-pbs/beagle/tc.template.data =================================================================== --- trunk/tests/providers/local-pbs/beagle/tc.template.data 2011-04-12 16:40:10 UTC (rev 4341) +++ trunk/tests/providers/local-pbs/beagle/tc.template.data 2011-04-12 18:27:19 UTC (rev 4342) @@ -1 +1,7 @@ beagle-pbs echo /bin/echo INSTALLED INTEL32::LINUX +beagle-pbs cat /bin/cat INSTALLED INTEL32::LINUX +beagle-pbs ls /bin/ls INSTALLED INTEL32::LINUX +beagle-pbs grep /bin/grep INSTALLED INTEL32::LINUX +beagle-pbs sort /bin/sort INSTALLED INTEL32::LINUX +beagle-pbs paste /bin/paste INSTALLED INTEL32::LINUX +beagle-pbs wc /usr/bin/wc INSTALLED INTEL32::LINUX From wozniak at ci.uchicago.edu Tue Apr 12 14:19:50 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Tue, 12 Apr 2011 14:19:50 -0500 (CDT) Subject: [Swift-commit] r4343 - trunk/libexec/log-processing Message-ID: <20110412191950.D9AC79CCB1@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-12 14:19:50 -0500 (Tue, 12 Apr 2011) New Revision: 4343 Modified: trunk/libexec/log-processing/README.txt trunk/libexec/log-processing/block-level.pl trunk/libexec/log-processing/cpu-job-load.pl Log: Correct notes Modified: trunk/libexec/log-processing/README.txt =================================================================== --- trunk/libexec/log-processing/README.txt 2011-04-12 18:27:19 UTC (rev 4342) +++ trunk/libexec/log-processing/README.txt 2011-04-12 19:19:50 UTC (rev 4343) @@ -16,21 +16,25 @@ . Convert the log times to Unix time ------------------------------------------ -./iso-to-secs < swift-run.log > tmp.log +./iso-to-secs < swift-run.log > swift-run.time . Make the start time file (this contains the earliest timestamp) ------------------------------------------ -make LOG=tmp.log start-time.tmp +make LOG=swift-run.log start-time.tmp ------------------------------------------ +or +------------------------------------------ +extract-start-time swift-run.log > start-time.tmp +------------------------------------------ . Normalize the transition times ------------------------------------------ -./normalise-event-start-time < tmp.log > tmp.norm +./normalise-event-start-time < swift-run.time > swift-run.norm ------------------------------------------ . Build up a load data file: ------------------------------------------ -./cpu-job-load.pl < tmp.norm > load.data +./cpu-job-load.pl < swift-run.norm > load.data ------------------------------------------ . Plot with the JFreeChart-based plotter in usertools/plotter: @@ -46,10 +50,26 @@ [start=5] . Build up a completed data file: ------------------------------------------ -./cpu-job-completed.pl < tmp.norm > completed.data +./cpu-job-completed.pl < swift-run.norm > completed.data ------------------------------------------ . Plot with the JFreeChart-based plotter in usertools/plotter: ------------------------------------------ lines.zsh completed.cfg completed.eps completed.data ------------------------------------------ + +Make a basic Block allocation plot from Coasters Block log lines +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +Same as above, but: + +[start=5] +. Build up a block allocation data file: +------------------------------------------ +./block-level.pl < swift-run.norm > blocks.data +------------------------------------------ + +. Plot with the JFreeChart-based plotter in usertools/plotter: +------------------------------------------ +lines.zsh blocks.{cfg,eps,data} +------------------------------------------ Modified: trunk/libexec/log-processing/block-level.pl =================================================================== --- trunk/libexec/log-processing/block-level.pl 2011-04-12 18:27:19 UTC (rev 4342) +++ trunk/libexec/log-processing/block-level.pl 2011-04-12 19:19:50 UTC (rev 4343) @@ -1,13 +1,13 @@ #!/usr/bin/perl -# Accumulate the load level at each point in time +# Accumulate the worker allocation level at each point in time # INPUT: A Swift log file with Coasters messages: # timestamp ... Block Starting block: workers=24 ... # timestamp ... Block Shutting down ... (24x ... # where timestamp is a number -# OUTPUT: lines formatted as "timestamp level" -# where timestamp and load are numbers, -# level being the number of Coasters Cpus available +# OUTPUT: lines formatted as "timestamp workers" +# where timestamp and workers are numbers, +# workers being the number of Coasters Cpus available $level = 0; Modified: trunk/libexec/log-processing/cpu-job-load.pl =================================================================== --- trunk/libexec/log-processing/cpu-job-load.pl 2011-04-12 18:27:19 UTC (rev 4342) +++ trunk/libexec/log-processing/cpu-job-load.pl 2011-04-12 19:19:50 UTC (rev 4343) @@ -1,6 +1,7 @@ #!/usr/bin/perl # Accumulate the load level at each point in time +# # INPUT: A Swift log file with Coasters messages: # timestamp ... Cpu ... submitting ... # timestamp ... Cpu ... jobTerminated ... From wozniak at ci.uchicago.edu Tue Apr 12 14:20:10 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Tue, 12 Apr 2011 14:20:10 -0500 (CDT) Subject: [Swift-commit] r4344 - trunk/libexec/log-processing Message-ID: <20110412192010.4F90E9CCB1@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-12 14:20:10 -0500 (Tue, 12 Apr 2011) New Revision: 4344 Modified: trunk/libexec/log-processing/extract-start-time Log: Allow LOG to be given on the command line Modified: trunk/libexec/log-processing/extract-start-time =================================================================== --- trunk/libexec/log-processing/extract-start-time 2011-04-12 19:19:50 UTC (rev 4343) +++ trunk/libexec/log-processing/extract-start-time 2011-04-12 19:20:10 UTC (rev 4344) @@ -4,8 +4,15 @@ rm -f tmp-extract-starttime2 +if [[ $LOG == "" ]] ; then + LOG=$1 +fi + if [ "X$LOG" != "X" ] ; then head $LOG | iso-to-secs >> tmp-extract-starttime2 +else + echo "No LOG given!" + exit 1 fi # for e in *.event ; do From wozniak at ci.uchicago.edu Tue Apr 12 14:31:50 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Tue, 12 Apr 2011 14:31:50 -0500 (CDT) Subject: [Swift-commit] r4345 - trunk/libexec/log-processing Message-ID: <20110412193150.177CA9CCB1@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-12 14:31:49 -0500 (Tue, 12 Apr 2011) New Revision: 4345 Added: trunk/libexec/log-processing/sec-to-hour.pl trunk/libexec/log-processing/sec-to-min.pl Log: Time scale conversion scripts Added: trunk/libexec/log-processing/sec-to-hour.pl =================================================================== --- trunk/libexec/log-processing/sec-to-hour.pl (rev 0) +++ trunk/libexec/log-processing/sec-to-hour.pl 2011-04-12 19:31:49 UTC (rev 4345) @@ -0,0 +1,16 @@ +#!/usr/bin/perl + +# Convert the time unit from seconds to hours +# INPUT: A Swift log file with Unix time in the first columns +# timestamp ... +# where timestamp is a number +# OUTPUT: The same log file with the timestamp divided by 3600 + +$load = 0; + + +while () { + @tokens = split; + $tokens[0] /= 3600.0; + printf("@tokens\n"); +} Property changes on: trunk/libexec/log-processing/sec-to-hour.pl ___________________________________________________________________ Name: svn:executable + * Added: trunk/libexec/log-processing/sec-to-min.pl =================================================================== --- trunk/libexec/log-processing/sec-to-min.pl (rev 0) +++ trunk/libexec/log-processing/sec-to-min.pl 2011-04-12 19:31:49 UTC (rev 4345) @@ -0,0 +1,16 @@ +#!/usr/bin/perl + +# Convert the time unit from seconds to minutes +# INPUT: A Swift log file with Unix time in the first columns +# timestamp ... +# where timestamp is a number +# OUTPUT: The same log file with the timestamp divided by 60 + +$load = 0; + + +while () { + @tokens = split; + $tokens[0] /= 60.0; + printf("@tokens\n"); +} Property changes on: trunk/libexec/log-processing/sec-to-min.pl ___________________________________________________________________ Name: svn:executable + * From wozniak at ci.uchicago.edu Tue Apr 12 14:37:04 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Tue, 12 Apr 2011 14:37:04 -0500 (CDT) Subject: [Swift-commit] r4346 - trunk/libexec/log-processing Message-ID: <20110412193704.981BB9CCB1@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-12 14:37:04 -0500 (Tue, 12 Apr 2011) New Revision: 4346 Modified: trunk/libexec/log-processing/sec-to-hour.pl trunk/libexec/log-processing/sec-to-min.pl Log: Clean up scripts Modified: trunk/libexec/log-processing/sec-to-hour.pl =================================================================== --- trunk/libexec/log-processing/sec-to-hour.pl 2011-04-12 19:31:49 UTC (rev 4345) +++ trunk/libexec/log-processing/sec-to-hour.pl 2011-04-12 19:37:04 UTC (rev 4346) @@ -1,16 +1,12 @@ -#!/usr/bin/perl +#!/usr/bin/perl -n # Convert the time unit from seconds to hours + # INPUT: A Swift log file with Unix time in the first columns -# timestamp ... +# timestamp ... # where timestamp is a number # OUTPUT: The same log file with the timestamp divided by 3600 -$load = 0; - - -while () { - @tokens = split; - $tokens[0] /= 3600.0; - printf("@tokens\n"); -} + at tokens = split; +$tokens[0] /= 3600.0; +printf("@tokens\n"); Modified: trunk/libexec/log-processing/sec-to-min.pl =================================================================== --- trunk/libexec/log-processing/sec-to-min.pl 2011-04-12 19:31:49 UTC (rev 4345) +++ trunk/libexec/log-processing/sec-to-min.pl 2011-04-12 19:37:04 UTC (rev 4346) @@ -1,16 +1,12 @@ -#!/usr/bin/perl +#!/usr/bin/perl -n # Convert the time unit from seconds to minutes + # INPUT: A Swift log file with Unix time in the first columns -# timestamp ... +# timestamp ... # where timestamp is a number # OUTPUT: The same log file with the timestamp divided by 60 -$load = 0; - - -while () { - @tokens = split; - $tokens[0] /= 60.0; - printf("@tokens\n"); -} + at tokens = split; +$tokens[0] /= 60.0; +printf("@tokens\n"); From wozniak at ci.uchicago.edu Tue Apr 12 15:14:26 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Tue, 12 Apr 2011 15:14:26 -0500 (CDT) Subject: [Swift-commit] r4347 - usertools/plotter/src/plotter Message-ID: <20110412201426.CBDC19CCB1@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-12 15:14:26 -0500 (Tue, 12 Apr 2011) New Revision: 4347 Modified: usertools/plotter/src/plotter/Lines.java Log: Enable user to turn legend off Modified: usertools/plotter/src/plotter/Lines.java =================================================================== --- usertools/plotter/src/plotter/Lines.java 2011-04-12 19:37:04 UTC (rev 4346) +++ usertools/plotter/src/plotter/Lines.java 2011-04-12 20:14:26 UTC (rev 4347) @@ -37,6 +37,8 @@ static Double ymin = null; static Double ymax = null; + static boolean withLegend = true; + /** Generate simple plot. @param collection The x,y data. @@ -74,8 +76,6 @@ return false; } - final boolean withLegend = true; - JFreeChart chart = ChartFactory.createXYLineChart (title, xlabel, ylabel, collection, @@ -265,6 +265,7 @@ height (output image height) xmin, xmax, ymin, ymax (auto-selected if not given) bw (Black and white, true/false, default false) + legend.enabled (true/false, default true) */ static void scanProperties() { @@ -290,6 +291,9 @@ tmp = properties.getProperty("bw"); if (tmp != null) bw = Boolean.parseBoolean(tmp); + tmp = properties.getProperty("legend.enabled"); + if (tmp != null) + withLegend = Boolean.parseBoolean(tmp); } /** From jonmon at ci.uchicago.edu Tue Apr 12 15:17:30 2011 From: jonmon at ci.uchicago.edu (jonmon at ci.uchicago.edu) Date: Tue, 12 Apr 2011 15:17:30 -0500 (CDT) Subject: [Swift-commit] r4348 - SwiftApps/Montage Message-ID: <20110412201730.984349CCB1@svn.ci.uchicago.edu> Author: jonmon Date: 2011-04-12 15:17:30 -0500 (Tue, 12 Apr 2011) New Revision: 4348 Modified: SwiftApps/Montage/TODO Log: o SwiftApps/Montage/TODO -- Removed the task test runs from TODO. The Montage wrappers now run and completes the big data set Modified: SwiftApps/Montage/TODO =================================================================== --- SwiftApps/Montage/TODO 2011-04-12 20:14:26 UTC (rev 4347) +++ SwiftApps/Montage/TODO 2011-04-12 20:17:30 UTC (rev 4348) @@ -1,7 +1,3 @@ -o test runs - -- Need to do some test runs from some of the files from the big test. Need to verify that Montage works correctly if some files are not created. - -- Need to test to make sure calling mOverlaps on the raw-directory is the correct thing to do. The tutorial shows that mOverlaps is supposed to be called on proj_dir not raw_dir. Maybe this is a situational decision in which case this is an easy fix. - o scripts/Swift_Montage_Batch.swift -- Need to fix mDiffBatch. Right now I have it assume the files will be in raw_dir. I need to have this be more general. Perhaps pass in the directory the images live in. -- Need to fix mProjectBatch. Currently calls mProject blindly. Need to figure out how to choose between mProject and mProjectPP @@ -16,4 +12,4 @@ -- Add more templates for other machines. For sure needs localhost o sites files - -- Create different pool entries. One for projectiog, calculating difference images, and background rectification. Each one will require different number of workers to execute with so different pool entries will be required. This will also change the tc.data files. \ No newline at end of file + -- Create different pool entries. One for projectiog, calculating difference images, and background rectification. Each one will require different number of workers to execute with so different pool entries will be required. This will also change the tc.data files. From tga at ci.uchicago.edu Tue Apr 12 17:53:58 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Tue, 12 Apr 2011 17:53:58 -0500 (CDT) Subject: [Swift-commit] r4349 - SwiftApps/SwiftR/Swift/exec Message-ID: <20110412225358.685049D909@svn.ci.uchicago.edu> Author: tga Date: 2011-04-12 17:53:58 -0500 (Tue, 12 Apr 2011) New Revision: 4349 Modified: SwiftApps/SwiftR/Swift/exec/fifowrite Log: Compatibility bugfix - built-in echo command for vanilla sh does not support -n switch Now passes test suite on Mac OS X. Modified: SwiftApps/SwiftR/Swift/exec/fifowrite =================================================================== --- SwiftApps/SwiftR/Swift/exec/fifowrite 2011-04-12 20:17:30 UTC (rev 4348) +++ SwiftApps/SwiftR/Swift/exec/fifowrite 2011-04-12 22:53:58 UTC (rev 4349) @@ -1,4 +1,4 @@ -#!/bin/sh +#!/usr/bin/env bash # Write to a fifo with a timeout, with the data specified by the -m option # If writing from a fifo is blocked after timeout specified # with -t option in milliseconds then this script exits with code 2. From jonmon at ci.uchicago.edu Tue Apr 12 21:41:08 2011 From: jonmon at ci.uchicago.edu (jonmon at ci.uchicago.edu) Date: Tue, 12 Apr 2011 21:41:08 -0500 (CDT) Subject: [Swift-commit] r4350 - SwiftApps/Montage/scripts Message-ID: <20110413024108.7BF9A9D909@svn.ci.uchicago.edu> Author: jonmon Date: 2011-04-12 21:41:08 -0500 (Tue, 12 Apr 2011) New Revision: 4350 Modified: SwiftApps/Montage/scripts/Swift_Montage_Batch.swift Log: o SwiftApps/Montage/scripts/Swift_Montage_Batch.swift -- Change to the interface for mDiffBatch. Specify a source and destinition directory for the images Modified: SwiftApps/Montage/scripts/Swift_Montage_Batch.swift =================================================================== --- SwiftApps/Montage/scripts/Swift_Montage_Batch.swift 2011-04-12 22:53:58 UTC (rev 4349) +++ SwiftApps/Montage/scripts/Swift_Montage_Batch.swift 2011-04-13 02:41:08 UTC (rev 4350) @@ -20,21 +20,18 @@ } -( Image diff_imgs[] ) mDiffBatch( Table diff_tbl, MosaicData hdr ) +( Image diff_imgs[] ) mDiffBatch( string src_dir, string dest_dir, Table diff_tbl, MosaicData hdr ) { DiffStruct diffs[] ; foreach d_entry, i in diffs { - /* Not always going to be in proj_dir. Maybe read diff_tbl for directory. */ - /* Not sure if the information is there. */ - Image img_1 ; - Image img_2 ; + Image img_1 ; + Image img_2 ; - Image diff_img ; + Image diff_img ; diff_img = mDiff( img_1, img_2, hdr ); - diff_imgs[ i ] = diff_img; } } From jonmon at ci.uchicago.edu Tue Apr 12 22:56:17 2011 From: jonmon at ci.uchicago.edu (jonmon at ci.uchicago.edu) Date: Tue, 12 Apr 2011 22:56:17 -0500 (CDT) Subject: [Swift-commit] r4351 - in SwiftApps/Montage: . scripts Message-ID: <20110413035617.B43159CCB1@svn.ci.uchicago.edu> Author: jonmon Date: 2011-04-12 22:56:17 -0500 (Tue, 12 Apr 2011) New Revision: 4351 Modified: SwiftApps/Montage/TODO SwiftApps/Montage/scripts/Swift_Montage_Batch.swift Log: o SwiftApps/Montage/TODO -- Deleted task for mDiifBatch on how to handle the directories to get the files from o SwiftApps/Montage/scripts/Swift_Montage_Batch.swift -- added "/" to the strcat call so that the file can mapped. Modified: SwiftApps/Montage/TODO =================================================================== --- SwiftApps/Montage/TODO 2011-04-13 02:41:08 UTC (rev 4350) +++ SwiftApps/Montage/TODO 2011-04-13 03:56:17 UTC (rev 4351) @@ -1,15 +1,14 @@ o scripts/Swift_Montage_Batch.swift - -- Need to fix mDiffBatch. Right now I have it assume the files will be in raw_dir. I need to have this be more general. Perhaps pass in the directory the images live in. - -- Need to fix mProjectBatch. Currently calls mProject blindly. Need to figure out how to choose between mProject and mProjectPP -- Must map out the area files as well. Then change all the app procedures accordingly to remove the -n option.(-n stands for ignore the area files) + -- Need to fix mProjectBatch. Currently calls mProject blindly. Need to figure out how to choose between mProject and mProjectPP o exec/montage.sh -- Fix how to calculate the run directory -- Figure out how to specify what site location that are going to be run on and do gensites on the templates -- Make sure all environment variables are set that are needed to run the execution script +o optimizations + -- Create different pool entries. One for projectiog, calculating difference images, and background rectification. Each one will require different number of workers to execute with so different pool entries will be required. This will also change the tc.data files. + o templates -- Add more templates for other machines. For sure needs localhost - -o sites files - -- Create different pool entries. One for projectiog, calculating difference images, and background rectification. Each one will require different number of workers to execute with so different pool entries will be required. This will also change the tc.data files. Modified: SwiftApps/Montage/scripts/Swift_Montage_Batch.swift =================================================================== --- SwiftApps/Montage/scripts/Swift_Montage_Batch.swift 2011-04-13 02:41:08 UTC (rev 4350) +++ SwiftApps/Montage/scripts/Swift_Montage_Batch.swift 2011-04-13 03:56:17 UTC (rev 4351) @@ -26,10 +26,10 @@ foreach d_entry, i in diffs { - Image img_1 ; - Image img_2 ; + Image img_1 ; + Image img_2 ; - Image diff_img ; + Image diff_img ; diff_img = mDiff( img_1, img_2, hdr ); diff_imgs[ i ] = diff_img; From ketan at ci.uchicago.edu Wed Apr 13 00:18:04 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Wed, 13 Apr 2011 00:18:04 -0500 (CDT) Subject: [Swift-commit] r4352 - www/cookbook Message-ID: <20110413051804.C52C69CC6B@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-13 00:18:04 -0500 (Wed, 13 Apr 2011) New Revision: 4352 Modified: www/cookbook/cookbook-asciidoc.html www/cookbook/cookbook-asciidoc.txt Log: Added some stuff to cookbook Modified: www/cookbook/cookbook-asciidoc.html =================================================================== --- www/cookbook/cookbook-asciidoc.html 2011-04-13 03:56:17 UTC (rev 4351) +++ www/cookbook/cookbook-asciidoc.html 2011-04-13 05:18:04 UTC (rev 4352) @@ -581,7 +581,7 @@

    1. Overview

    -

    Swift cookbook overview. Goals of this cookbook. Organization of this cookbook.Benefits of cookbook.

    +

    Swift cookbook overview. Goals of this cookbook. Organization of this cookbook. Benefits of cookbook.

    This cookbook covers various recipes involving running Swift under diverse configurations based on the application requirements and underlying infrastructures. The SwiftScript language and the Swift runtim system. For introductory material, consult the Swift tutorial.

    Swift is a data-oriented coarse grained scripting language that supports dataset typing and mapping, dataset iteration, conditional branching, and procedural composition.

    Swift programs (or workflows) are written in a language called SwiftScript.

    @@ -590,23 +590,61 @@
    -

    2. Beagle

    +

    2. Swift on …

    -

    How to run Swift on Beagle.

    +
    +

    2.1. Beagle

    +

    Swift is now installed on Beagle as a module. Swift supports a Coasters based, +PBS-enabled computing environment for Beagle. To get started with Swift on +Beagle follow the steps outlined below:

    +

    step 1. Load the Swift module on Beagle as follows: module load swift

    +

    step 2. Create a Swift specific folder where all your Swift related work will +stay. (say, mkdir swift-lab)

    +

    step 3. Use the gensites command to generate a Cray enabled coasters site +configuration: gensites beagle -p /soft/swift/0.92/etc/swift.properties.beagle +> beagle-coaster.xml

    +

    step 4. Start using Swift! To get started with and example, copy the folder at +/lustre/beagle/ketan/labs/catsn.works to your home and follow the instructions +in README of that folder.

    +
    +

    2.2. Intrepid-BG/P

    +
    +

    2.3. PADS

    +
    +
    +

    2.4. OSG

    +
    +
    +

    2.5. Bionimbus

    +
    +
    +

    2.6. Magellan

    +
    +
    +

    3. Coasters

    How to run Swift under different Coasters configurations.

    +
    +

    3.1. Manual

    +
    +

    3.2. Passive

    +
    +

    3.3. Persistent

    +
    +
    +
    Modified: www/cookbook/cookbook-asciidoc.txt =================================================================== --- www/cookbook/cookbook-asciidoc.txt 2011-04-13 03:56:17 UTC (rev 4351) +++ www/cookbook/cookbook-asciidoc.txt 2011-04-13 05:18:04 UTC (rev 4352) @@ -8,7 +8,7 @@ Overview -------- -Swift cookbook overview. Goals of this cookbook. Organization of this cookbook.Benefits of cookbook. +Swift cookbook overview. Goals of this cookbook. Organization of this cookbook. Benefits of cookbook. This cookbook covers various recipes involving running Swift under diverse configurations based on the application requirements and underlying infrastructures. The SwiftScript language and the Swift runtim system. For introductory material, consult the Swift tutorial. @@ -19,11 +19,47 @@ SwiftScript programs are dataflow oriented - they are primarily concerned with processing (possibly large) collections of data files, by invoking programs to do that processing. Swift handles execution of such programs on remote sites by choosing sites, handling the staging of input and output files to and from the chosen sites and remote execution of program code. +Swift on ... +------------ Beagle ------- -How to run Swift on Beagle. +~~~~~~ +Swift is now installed on Beagle as a module. Swift supports a Coasters based, +PBS-enabled computing environment for Beagle. To get started with Swift on +Beagle follow the steps outlined below: +*step 1.* Load the Swift module on Beagle as follows: +module load swift+ + +*step 2.* Create a Swift specific folder where all your Swift related work will +stay. (say, +mkdir swift-lab+) + +*step 3.* Use the gensites command to generate a Cray enabled coasters site +configuration: +gensites beagle -p /soft/swift/0.92/etc/swift.properties.beagle +> beagle-coaster.xml+ + +*step 4.* Start using Swift! To get started with and example, copy the folder at +/lustre/beagle/ketan/labs/catsn.works to your home and follow the instructions +in README of that folder. + +Intrepid-BG/P +~~~~~~~~~~~~~ +PADS +~~~~ +OSG +~~~ +Bionimbus +~~~~~~~~~ +Magellan +~~~~~~~~ + Coasters -------- How to run Swift under different Coasters configurations. +Manual +~~~~~~ +Passive +~~~~~~~ +Persistent +~~~~~~~~~~ + + From skenny at ci.uchicago.edu Wed Apr 13 01:59:33 2011 From: skenny at ci.uchicago.edu (skenny at ci.uchicago.edu) Date: Wed, 13 Apr 2011 01:59:33 -0500 (CDT) Subject: [Swift-commit] r4353 - trunk/bin Message-ID: <20110413065933.BC09C9CCBB@svn.ci.uchicago.edu> Author: skenny Date: 2011-04-13 01:59:33 -0500 (Wed, 13 Apr 2011) New Revision: 4353 Modified: trunk/bin/chxml Log: determines location of sites file and checks that it is well-formed Modified: trunk/bin/chxml =================================================================== --- trunk/bin/chxml 2011-04-13 05:18:04 UTC (rev 4352) +++ trunk/bin/chxml 2011-04-13 06:59:33 UTC (rev 4353) @@ -3,7 +3,7 @@ # given a filename chxml will ensure it is well-formed xml and # contains essential swift attributes -import xml.parsers.expat,sys +import xml.parsers.expat,sys,os,commands from glob import glob def parsefile(file): @@ -19,20 +19,45 @@ print 'End element:', name endTags.append(name) -for arg in sys.argv[1:]: - for filename in glob(arg): - try: - parsefile(filename) - print "%s is well-formed" % filename - except Exception, e: - print "Error: there is a problem with your sites file" - print "%s is %s" % (filename, e) - sys.exit() +# parse args to find sites.xml file + +sites_file = "" +argstr = sys.argv + +if len(argstr)<2: + print "please specify a sites file" + sys.exit() +i = 0 +for o in argstr: + if o == "'-sites.file'": + sites_file = argstr[i+1].split("'")[1] + elif o == "'-config'": + config_file = open(argstr[i+1].split("'")[1],"r") + for line in config_file.readlines(): + if line.strip().startswith('#'): + continue + if line.find("sites.file")>-1: + print "line is "+line + sites_file = line.split("=")[1].strip() + i = i+1 +if (sites_file == ""): + swift_loc = commands.getoutput("which swift") + swift_home = swift_loc.split("bin")[0] + sites_file = swift_home+"etc/sites.xml" + print "no sites file specified, setting to default: "+sites_file + +try: + parsefile(sites_file) + print "%s is well-formed" % sites_file +except Exception, e: + print "Error: there is a problem with your sites file" + print "%s is %s" % (sites_file, e) + sys.exit() - p = xml.parsers.expat.ParserCreate() - p.StartElementHandler = start_element - p.EndElementHandler = end_element - p.ParseFile(open(filename,"r")) +p = xml.parsers.expat.ParserCreate() +p.StartElementHandler = start_element +p.EndElementHandler = end_element +p.ParseFile(open(sites_file,"r")) config = 0 pool = 0 From skenny at ci.uchicago.edu Wed Apr 13 02:03:56 2011 From: skenny at ci.uchicago.edu (skenny at ci.uchicago.edu) Date: Wed, 13 Apr 2011 02:03:56 -0500 (CDT) Subject: [Swift-commit] r4354 - trunk/bin Message-ID: <20110413070356.3BAF09CCBB@svn.ci.uchicago.edu> Author: skenny Date: 2011-04-13 02:03:56 -0500 (Wed, 13 Apr 2011) New Revision: 4354 Modified: trunk/bin/chxml Log: cleanup print statements Modified: trunk/bin/chxml =================================================================== --- trunk/bin/chxml 2011-04-13 06:59:33 UTC (rev 4353) +++ trunk/bin/chxml 2011-04-13 07:03:56 UTC (rev 4354) @@ -16,7 +16,6 @@ def start_element(name, attrs): startTags.append(name) def end_element(name): - print 'End element:', name endTags.append(name) # parse args to find sites.xml file @@ -48,7 +47,6 @@ try: parsefile(sites_file) - print "%s is well-formed" % sites_file except Exception, e: print "Error: there is a problem with your sites file" print "%s is %s" % (sites_file, e) From skenny at ci.uchicago.edu Wed Apr 13 02:04:38 2011 From: skenny at ci.uchicago.edu (skenny at ci.uchicago.edu) Date: Wed, 13 Apr 2011 02:04:38 -0500 (CDT) Subject: [Swift-commit] r4355 - trunk/bin Message-ID: <20110413070438.241FD9CCBB@svn.ci.uchicago.edu> Author: skenny Date: 2011-04-13 02:04:37 -0500 (Wed, 13 Apr 2011) New Revision: 4355 Modified: trunk/bin/swift Log: add call to chxml for checking of sites file Modified: trunk/bin/swift =================================================================== --- trunk/bin/swift 2011-04-13 07:03:56 UTC (rev 4354) +++ trunk/bin/swift 2011-04-13 07:04:37 UTC (rev 4355) @@ -61,6 +61,10 @@ CMDLINE=`fixCommandLine "$@"` +# make sure sites.xml file is well-formed + +chxml $CMDLINE + ### SETUP OTHER ENV VARIABLES #### USERID=`id | awk '{printf("%s\n", substr($1, 5, index($1, "(")-5 ) ) }'` From davidk at ci.uchicago.edu Wed Apr 13 10:13:54 2011 From: davidk at ci.uchicago.edu (davidk at ci.uchicago.edu) Date: Wed, 13 Apr 2011 10:13:54 -0500 (CDT) Subject: [Swift-commit] r4356 - trunk Message-ID: <20110413151354.57CC89CCBB@svn.ci.uchicago.edu> Author: davidk Date: 2011-04-13 10:13:54 -0500 (Wed, 13 Apr 2011) New Revision: 4356 Modified: trunk/build.xml Log: Give chxml an x bit during ant dist Modified: trunk/build.xml =================================================================== --- trunk/build.xml 2011-04-13 07:04:37 UTC (rev 4355) +++ trunk/build.xml 2011-04-13 15:13:54 UTC (rev 4356) @@ -87,6 +87,7 @@ + From ketan at ci.uchicago.edu Wed Apr 13 11:26:30 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Wed, 13 Apr 2011 11:26:30 -0500 (CDT) Subject: [Swift-commit] r4357 - www/cookbook Message-ID: <20110413162630.828CB9CC6B@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-13 11:26:30 -0500 (Wed, 13 Apr 2011) New Revision: 4357 Modified: www/cookbook/cookbook-asciidoc.html www/cookbook/cookbook-asciidoc.txt Log: added items on cookbook Modified: www/cookbook/cookbook-asciidoc.html =================================================================== --- www/cookbook/cookbook-asciidoc.html 2011-04-13 15:13:54 UTC (rev 4356) +++ www/cookbook/cookbook-asciidoc.html 2011-04-13 16:26:30 UTC (rev 4357) @@ -590,10 +590,47 @@
    -

    2. Swift on …

    +

    2. Swift Basics

    -

    2.1. Beagle

    +

    2.1. Installation

    +

    Installation instructions

    +
    +
    +

    2.2. Environment Setup

    +

    Setting up the environment

    +
    + + + +
    +
    Note
    +    		The environment will be different when using Swift from prebuilt +distribution and trunk.
    +
    +
    +
    +

    2.3. First SwiftScript

    +

    Your first SwiftScript +Hello Swift-World!

    +
    +
    +

    2.4. Second SwiftScript

    +

    Your second SwiftScript +catsn

    +
    +
    +

    2.5. Swift Commandline Options

    +

    A description of Swift Commandline Options

    +

    Also includes a description of Swift inputs and outputs.

    +
    +
    +
    +
    +

    3. Swift on …

    +
    +
    +

    3.1. Beagle

    Swift is now installed on Beagle as a module. Swift supports a Coasters based, PBS-enabled computing environment for Beagle. To get started with Swift on Beagle follow the steps outlined below:

    @@ -608,43 +645,110 @@ in README of that folder.

    -

    2.2. Intrepid-BG/P

    +

    3.2. Intrepid-BG/P

    +

    Swift on Intrepid-BG/P

    -

    2.3. PADS

    +

    3.3. PADS

    +

    Swift on PADS

    -

    2.4. OSG

    +

    3.4. OSG

    +

    Swift on OSG

    -

    2.5. Bionimbus

    +

    3.5. Bionimbus

    +

    Swift on Bionimbus

    -

    2.6. Magellan

    +

    3.6. Magellan

    +

    Swift on Magellan

    -

    3. Coasters

    +

    4. Coasters

    -

    How to run Swift under different Coasters configurations.

    +

    Describe coasters mechanisms. +Include neat diagrams.

    -

    3.1. Manual

    +

    4.1. For Beginners

    +

    Coasters for beginners.

    -

    3.2. Passive

    +

    4.2. For Intermediate Users

    +

    Coasters for intermediate users.

    -

    3.3. Persistent

    +

    4.3. For Advanced Users

    +

    Coasters for advanced users.

    +
    +

    4.4. How to run Swift under different Coasters configurations

    +
    +

    4.4.1. Manual

    +

    Todo

    +
    +

    4.4.2. Passive

    +

    Todo

    +
    +

    4.4.3. Persistent

    +

    Todo

    +
    +
    +

    4.5. Summary of Differences Between different Coaster types

    +

    A tabular representations of highlights of different coaster setups

    +
    +
    +
    +
    +

    5. Collective Data Management (CDM) and JETS

    +
    +

    CDM and JETS

    +
    +

    5.1. CDM

    +

    todo

    +
    +
    +

    5.2. JETS

    +

    todo

    +
    +
    +
    +
    +

    6. Debugging Swift

    +
    +

    De-bug.

    +
    +

    6.1. Debugging Heuristics or Where to look when things break

    +

    Steps to follow to debug Swift

    +
    +
    +

    6.2. Swift Logging and log4j Setup

    +

    Logging levels for Swift.

    +
    +
    +

    6.3. What if Swift hangs?

    +

    Swift has a built-in hang-checker that chips in when Swift hangs.

    +
    +
    +
    +
    +

    7. Deprecated things of Swift

    +
    +

    Notes on things that have been deprecated and may not be supported in the near +future.

    +
    +
    +
    Modified: www/cookbook/cookbook-asciidoc.txt =================================================================== --- www/cookbook/cookbook-asciidoc.txt 2011-04-13 15:13:54 UTC (rev 4356) +++ www/cookbook/cookbook-asciidoc.txt 2011-04-13 16:26:30 UTC (rev 4357) @@ -19,8 +19,41 @@ SwiftScript programs are dataflow oriented - they are primarily concerned with processing (possibly large) collections of data files, by invoking programs to do that processing. Swift handles execution of such programs on remote sites by choosing sites, handling the staging of input and output files to and from the chosen sites and remote execution of program code. +Swift Basics +------------ + +Installation +~~~~~~~~~~~~ +Installation instructions + +Environment Setup +~~~~~~~~~~~~~~~~~ + +Setting up the environment +[NOTE] +The environment will be different when using Swift from prebuilt +distribution and trunk. + + +First SwiftScript +~~~~~~~~~~~~~~~~~ +Your first SwiftScript +Hello Swift-World! + +Second SwiftScript +~~~~~~~~~~~~~~~~~~~ +Your second SwiftScript +catsn + +Swift Commandline Options +~~~~~~~~~~~~~~~~~~~~~~~~~ +A description of Swift Commandline Options + +Also includes a description of Swift inputs and outputs. + Swift on ... ------------ + Beagle ~~~~~~ Swift is now installed on Beagle as a module. Swift supports a Coasters based, @@ -42,24 +75,98 @@ Intrepid-BG/P ~~~~~~~~~~~~~ +Swift on Intrepid-BG/P + PADS ~~~~ +Swift on PADS + OSG ~~~ +Swift on OSG + Bionimbus ~~~~~~~~~ +Swift on Bionimbus + Magellan ~~~~~~~~ +Swift on Magellan Coasters -------- -How to run Swift under different Coasters configurations. +Describe coasters mechanisms. +Include neat diagrams. + +For Beginners +~~~~~~~~~~~~~~ +Coasters for beginners. + +For Intermediate Users +~~~~~~~~~~~~~~~~~~~~~~~ +Coasters for intermediate users. + +For Advanced Users +~~~~~~~~~~~~~~~~~~~ +Coasters for advanced users. + + +How to run Swift under different Coasters configurations +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + Manual -~~~~~~ +^^^^^^^ +Todo + Passive -~~~~~~~ +^^^^^^^^ +Todo + Persistent -~~~~~~~~~~ +^^^^^^^^^^^ +Todo +Summary of Differences Between different Coaster types +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +A tabular representations of highlights of different coaster setups + +Collective Data Management (CDM) and JETS +-------------------------------------------- +CDM and JETS + +CDM +~~~~ + +todo + +JETS +~~~~~ + +todo + +Debugging Swift +--------------- + +De-bug. + +Debugging Heuristics or Where to look when things break +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +Steps to follow to debug Swift + +Swift Logging and log4j Setup +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +Logging levels for Swift. + +What if Swift hangs? +~~~~~~~~~~~~~~~~~~~~~ + +Swift has a built-in hang-checker that chips in when Swift hangs. + + +Deprecated things of Swift +--------------------------- +Notes on things that have been deprecated and may not be supported in the near +future. + From wozniak at ci.uchicago.edu Wed Apr 13 11:33:06 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Wed, 13 Apr 2011 11:33:06 -0500 (CDT) Subject: [Swift-commit] r4358 - trunk/tests/providers/local-pbs Message-ID: <20110413163306.7C04A9CC6B@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-13 11:33:06 -0500 (Wed, 13 Apr 2011) New Revision: 4358 Added: trunk/tests/providers/local-pbs/fusion/ Log: Adding From wozniak at ci.uchicago.edu Wed Apr 13 11:35:05 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Wed, 13 Apr 2011 11:35:05 -0500 (CDT) Subject: [Swift-commit] r4359 - trunk/tests/providers/local-pbs/fusion Message-ID: <20110413163505.F2C969CC6B@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-13 11:35:05 -0500 (Wed, 13 Apr 2011) New Revision: 4359 Added: trunk/tests/providers/local-pbs/fusion/001-catsn.check.sh trunk/tests/providers/local-pbs/fusion/001-catsn.setup.sh trunk/tests/providers/local-pbs/fusion/001-catsn.swift trunk/tests/providers/local-pbs/fusion/001-catsn.timeout trunk/tests/providers/local-pbs/fusion/data.txt trunk/tests/providers/local-pbs/fusion/sites.template.xml Log: Bring in test from Beagle and Parvis cases Copied: trunk/tests/providers/local-pbs/fusion/001-catsn.check.sh (from rev 4357, trunk/tests/providers/local-pbs/beagle/001-catsn.check.sh) =================================================================== --- trunk/tests/providers/local-pbs/fusion/001-catsn.check.sh (rev 0) +++ trunk/tests/providers/local-pbs/fusion/001-catsn.check.sh 2011-04-13 16:35:05 UTC (rev 4359) @@ -0,0 +1,9 @@ +#!/bin/bash + +# Pseudo-code for now + +# for f in *.out.expected +# do +# assert *.out exists +# assert *.out.expected == *.out +# done Copied: trunk/tests/providers/local-pbs/fusion/001-catsn.setup.sh (from rev 4357, trunk/tests/providers/local-pbs/beagle/001-catsn.setup.sh) =================================================================== --- trunk/tests/providers/local-pbs/fusion/001-catsn.setup.sh (rev 0) +++ trunk/tests/providers/local-pbs/fusion/001-catsn.setup.sh 2011-04-13 16:35:05 UTC (rev 4359) @@ -0,0 +1,4 @@ +#!/bin/bash + +cp -v $GROUP/data.txt . || exit 1 +cp -v $GROUP/*expected . || exit 1 Copied: trunk/tests/providers/local-pbs/fusion/001-catsn.swift (from rev 4357, trunk/tests/providers/local-pbs/beagle/001-catsn.swift) =================================================================== --- trunk/tests/providers/local-pbs/fusion/001-catsn.swift (rev 0) +++ trunk/tests/providers/local-pbs/fusion/001-catsn.swift 2011-04-13 16:35:05 UTC (rev 4359) @@ -0,0 +1,15 @@ +type file; + +app (file o) cat (file i) +{ + cat @i stdout=@o; +} + +// string t = "abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789"; +// string char[] = @strsplit(t, ""); + +file out[]; +foreach j in [1:@toint(@arg("n","10"))] { + file data<"data.txt">; + out[j] = cat(data); +} Copied: trunk/tests/providers/local-pbs/fusion/001-catsn.timeout (from rev 4357, trunk/tests/providers/local-pbs/beagle/001-catsn.timeout) =================================================================== --- trunk/tests/providers/local-pbs/fusion/001-catsn.timeout (rev 0) +++ trunk/tests/providers/local-pbs/fusion/001-catsn.timeout 2011-04-13 16:35:05 UTC (rev 4359) @@ -0,0 +1 @@ +180 Copied: trunk/tests/providers/local-pbs/fusion/data.txt (from rev 4357, trunk/tests/providers/local-pbs/beagle/data.txt) =================================================================== --- trunk/tests/providers/local-pbs/fusion/data.txt (rev 0) +++ trunk/tests/providers/local-pbs/fusion/data.txt 2011-04-13 16:35:05 UTC (rev 4359) @@ -0,0 +1 @@ +Hello world Added: trunk/tests/providers/local-pbs/fusion/sites.template.xml =================================================================== --- trunk/tests/providers/local-pbs/fusion/sites.template.xml (rev 0) +++ trunk/tests/providers/local-pbs/fusion/sites.template.xml 2011-04-13 16:35:05 UTC (rev 4359) @@ -0,0 +1,10 @@ + + + + + 5 + batch + bigmem + /home/wozniak/work + + Property changes on: trunk/tests/providers/local-pbs/fusion/sites.template.xml ___________________________________________________________________ Name: svn:executable + * From wozniak at ci.uchicago.edu Wed Apr 13 11:35:50 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Wed, 13 Apr 2011 11:35:50 -0500 (CDT) Subject: [Swift-commit] r4360 - trunk/tests/providers/local-pbs/fusion Message-ID: <20110413163550.AF11B9CC6B@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-13 11:35:50 -0500 (Wed, 13 Apr 2011) New Revision: 4360 Added: trunk/tests/providers/local-pbs/fusion/tc.template.data Log: Bring in tc from Beagle Copied: trunk/tests/providers/local-pbs/fusion/tc.template.data (from rev 4357, trunk/tests/providers/local-pbs/beagle/tc.template.data) =================================================================== --- trunk/tests/providers/local-pbs/fusion/tc.template.data (rev 0) +++ trunk/tests/providers/local-pbs/fusion/tc.template.data 2011-04-13 16:35:50 UTC (rev 4360) @@ -0,0 +1,7 @@ +beagle-pbs echo /bin/echo INSTALLED INTEL32::LINUX +beagle-pbs cat /bin/cat INSTALLED INTEL32::LINUX +beagle-pbs ls /bin/ls INSTALLED INTEL32::LINUX +beagle-pbs grep /bin/grep INSTALLED INTEL32::LINUX +beagle-pbs sort /bin/sort INSTALLED INTEL32::LINUX +beagle-pbs paste /bin/paste INSTALLED INTEL32::LINUX +beagle-pbs wc /usr/bin/wc INSTALLED INTEL32::LINUX From wozniak at ci.uchicago.edu Wed Apr 13 11:46:15 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Wed, 13 Apr 2011 11:46:15 -0500 (CDT) Subject: [Swift-commit] r4361 - trunk/tests/providers/local-pbs/fusion Message-ID: <20110413164615.1902F9CCBB@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-13 11:46:14 -0500 (Wed, 13 Apr 2011) New Revision: 4361 Modified: trunk/tests/providers/local-pbs/fusion/001-catsn.swift trunk/tests/providers/local-pbs/fusion/sites.template.xml trunk/tests/providers/local-pbs/fusion/tc.template.data Log: Test works on Fusion Modified: trunk/tests/providers/local-pbs/fusion/001-catsn.swift =================================================================== --- trunk/tests/providers/local-pbs/fusion/001-catsn.swift 2011-04-13 16:35:50 UTC (rev 4360) +++ trunk/tests/providers/local-pbs/fusion/001-catsn.swift 2011-04-13 16:46:14 UTC (rev 4361) @@ -5,9 +5,6 @@ cat @i stdout=@o; } -// string t = "abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789"; -// string char[] = @strsplit(t, ""); - file out[]; foreach j in [1:@toint(@arg("n","10"))] { file data<"data.txt">; Modified: trunk/tests/providers/local-pbs/fusion/sites.template.xml =================================================================== --- trunk/tests/providers/local-pbs/fusion/sites.template.xml 2011-04-13 16:35:50 UTC (rev 4360) +++ trunk/tests/providers/local-pbs/fusion/sites.template.xml 2011-04-13 16:46:14 UTC (rev 4361) @@ -1,10 +1,9 @@ - + 5 - batch - bigmem - /home/wozniak/work + shared + _WORK_ Modified: trunk/tests/providers/local-pbs/fusion/tc.template.data =================================================================== --- trunk/tests/providers/local-pbs/fusion/tc.template.data 2011-04-13 16:35:50 UTC (rev 4360) +++ trunk/tests/providers/local-pbs/fusion/tc.template.data 2011-04-13 16:46:14 UTC (rev 4361) @@ -1,7 +1,7 @@ -beagle-pbs echo /bin/echo INSTALLED INTEL32::LINUX -beagle-pbs cat /bin/cat INSTALLED INTEL32::LINUX -beagle-pbs ls /bin/ls INSTALLED INTEL32::LINUX -beagle-pbs grep /bin/grep INSTALLED INTEL32::LINUX -beagle-pbs sort /bin/sort INSTALLED INTEL32::LINUX -beagle-pbs paste /bin/paste INSTALLED INTEL32::LINUX -beagle-pbs wc /usr/bin/wc INSTALLED INTEL32::LINUX +fusion-pbs echo /bin/echo INSTALLED INTEL32::LINUX +fusion-pbs cat /bin/cat INSTALLED INTEL32::LINUX +fusion-pbs ls /bin/ls INSTALLED INTEL32::LINUX +fusion-pbs grep /bin/grep INSTALLED INTEL32::LINUX +fusion-pbs sort /bin/sort INSTALLED INTEL32::LINUX +fusion-pbs paste /bin/paste INSTALLED INTEL32::LINUX +fusion-pbs wc /usr/bin/wc INSTALLED INTEL32::LINUX From wozniak at ci.uchicago.edu Wed Apr 13 11:48:42 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Wed, 13 Apr 2011 11:48:42 -0500 (CDT) Subject: [Swift-commit] r4362 - trunk/tests/providers/local-pbs-coasters Message-ID: <20110413164842.E57CA9CCBB@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-13 11:48:42 -0500 (Wed, 13 Apr 2011) New Revision: 4362 Added: trunk/tests/providers/local-pbs-coasters/fusion/ Log: Adding From skenny at ci.uchicago.edu Wed Apr 13 13:02:28 2011 From: skenny at ci.uchicago.edu (skenny at ci.uchicago.edu) Date: Wed, 13 Apr 2011 13:02:28 -0500 (CDT) Subject: [Swift-commit] r4363 - branches Message-ID: <20110413180228.82DF79CCBB@svn.ci.uchicago.edu> Author: skenny Date: 2011-04-13 13:02:28 -0500 (Wed, 13 Apr 2011) New Revision: 4363 Added: branches/release-0.92.1/ Removed: branches/release-0.92/ Log: 0.92 release fixed, moving to 092.1 Copied: branches/release-0.92.1 (from rev 4362, branches/release-0.92) From tga at ci.uchicago.edu Wed Apr 13 13:39:11 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Wed, 13 Apr 2011 13:39:11 -0500 (CDT) Subject: [Swift-commit] r4364 - SwiftApps/SwiftR/Swift/exec Message-ID: <20110413183911.0E05D9CCBB@svn.ci.uchicago.edu> Author: tga Date: 2011-04-13 13:39:10 -0500 (Wed, 13 Apr 2011) New Revision: 4364 Modified: SwiftApps/SwiftR/Swift/exec/EvalRBatchPersistent.sh SwiftApps/SwiftR/Swift/exec/compat-setup SwiftApps/SwiftR/Swift/exec/configure-server-cobalt SwiftApps/SwiftR/Swift/exec/configure-server-crayxt SwiftApps/SwiftR/Swift/exec/configure-server-local SwiftApps/SwiftR/Swift/exec/configure-server-pbs SwiftApps/SwiftR/Swift/exec/configure-server-pbsauto SwiftApps/SwiftR/Swift/exec/configure-server-sge SwiftApps/SwiftR/Swift/exec/configure-server-ssh SwiftApps/SwiftR/Swift/exec/fiforead SwiftApps/SwiftR/Swift/exec/fifowrite SwiftApps/SwiftR/Swift/exec/killtree SwiftApps/SwiftR/Swift/exec/passive-coaster-swift SwiftApps/SwiftR/Swift/exec/start-merlot SwiftApps/SwiftR/Swift/exec/start-swift SwiftApps/SwiftR/Swift/exec/start-swift-Rserver SwiftApps/SwiftR/Swift/exec/start-swift-daemon SwiftApps/SwiftR/Swift/exec/start-swift-workers Log: Compatibility fix: user consistent shebang for sheel scripts to ensure bash is run. Modified: SwiftApps/SwiftR/Swift/exec/EvalRBatchPersistent.sh =================================================================== --- SwiftApps/SwiftR/Swift/exec/EvalRBatchPersistent.sh 2011-04-13 18:02:28 UTC (rev 4363) +++ SwiftApps/SwiftR/Swift/exec/EvalRBatchPersistent.sh 2011-04-13 18:39:10 UTC (rev 4364) @@ -1,4 +1,4 @@ -#! /bin/bash +#! /usr/bin/env bash # Arguments: inputBatchSaveFile outputBatchSaveFile # bash @shellscript @RServerScript @rcall @result stdout=@stout stderr=@sterr; Modified: SwiftApps/SwiftR/Swift/exec/compat-setup =================================================================== --- SwiftApps/SwiftR/Swift/exec/compat-setup 2011-04-13 18:02:28 UTC (rev 4363) +++ SwiftApps/SwiftR/Swift/exec/compat-setup 2011-04-13 18:39:10 UTC (rev 4364) @@ -1,4 +1,4 @@ -#!/bin/sh +#! /usr/bin/env bash # sets variables to handle compatibility issues if [ -f "`which seq 2> /dev/null`" ] Modified: SwiftApps/SwiftR/Swift/exec/configure-server-cobalt =================================================================== --- SwiftApps/SwiftR/Swift/exec/configure-server-cobalt 2011-04-13 18:02:28 UTC (rev 4363) +++ SwiftApps/SwiftR/Swift/exec/configure-server-cobalt 2011-04-13 18:39:10 UTC (rev 4364) @@ -1,4 +1,4 @@ -#! /bin/bash +#! /usr/bin/env bash # configuration for cobalt with manually-started Swift workers (passive coasters) Modified: SwiftApps/SwiftR/Swift/exec/configure-server-crayxt =================================================================== --- SwiftApps/SwiftR/Swift/exec/configure-server-crayxt 2011-04-13 18:02:28 UTC (rev 4363) +++ SwiftApps/SwiftR/Swift/exec/configure-server-crayxt 2011-04-13 18:39:10 UTC (rev 4364) @@ -1,4 +1,4 @@ -#! /bin/bash +#!i /usr/bin/env bash # configuration for PBS with manually-started Swift workers (passive coasters) Modified: SwiftApps/SwiftR/Swift/exec/configure-server-local =================================================================== --- SwiftApps/SwiftR/Swift/exec/configure-server-local 2011-04-13 18:02:28 UTC (rev 4363) +++ SwiftApps/SwiftR/Swift/exec/configure-server-local 2011-04-13 18:39:10 UTC (rev 4364) @@ -1,4 +1,4 @@ -#! /bin/bash +#! /usr/bin/env bash throttleOneCore="0.00" # FIXME: test if new swft fix makes zero OK rather than -0.001 Modified: SwiftApps/SwiftR/Swift/exec/configure-server-pbs =================================================================== --- SwiftApps/SwiftR/Swift/exec/configure-server-pbs 2011-04-13 18:02:28 UTC (rev 4363) +++ SwiftApps/SwiftR/Swift/exec/configure-server-pbs 2011-04-13 18:39:10 UTC (rev 4364) @@ -1,4 +1,4 @@ -#! /bin/bash +#! /usr/bin/env bash # configuration for PBS with manually-started Swift workers (passive coasters) Modified: SwiftApps/SwiftR/Swift/exec/configure-server-pbsauto =================================================================== --- SwiftApps/SwiftR/Swift/exec/configure-server-pbsauto 2011-04-13 18:02:28 UTC (rev 4363) +++ SwiftApps/SwiftR/Swift/exec/configure-server-pbsauto 2011-04-13 18:39:10 UTC (rev 4364) @@ -1,4 +1,4 @@ -#! /bin/bash +#! /usr/bin/env bash throttlePBS=.31 # FIXME: parameterize thsi and several other variables, below. Modified: SwiftApps/SwiftR/Swift/exec/configure-server-sge =================================================================== --- SwiftApps/SwiftR/Swift/exec/configure-server-sge 2011-04-13 18:02:28 UTC (rev 4363) +++ SwiftApps/SwiftR/Swift/exec/configure-server-sge 2011-04-13 18:39:10 UTC (rev 4364) @@ -1,4 +1,4 @@ -#! /bin/bash +#! /usr/bin/env bash # Generate Swift configuration files for SGE with manually-started Swift workers (passive coasters) Modified: SwiftApps/SwiftR/Swift/exec/configure-server-ssh =================================================================== --- SwiftApps/SwiftR/Swift/exec/configure-server-ssh 2011-04-13 18:02:28 UTC (rev 4363) +++ SwiftApps/SwiftR/Swift/exec/configure-server-ssh 2011-04-13 18:39:10 UTC (rev 4364) @@ -1,4 +1,4 @@ -#! /bin/bash +#! /usr/bin/env bash cores=$1 throttle=$2 Modified: SwiftApps/SwiftR/Swift/exec/fiforead =================================================================== --- SwiftApps/SwiftR/Swift/exec/fiforead 2011-04-13 18:02:28 UTC (rev 4363) +++ SwiftApps/SwiftR/Swift/exec/fiforead 2011-04-13 18:39:10 UTC (rev 4364) @@ -1,4 +1,4 @@ -#!/bin/sh +#! /usr/bin/env bash # Read contents of a fifo with a timeout # If reading from a fifo fails within timeout specified # with -t option in milliseconds then the message _FIFOTIMEOUT_ with Modified: SwiftApps/SwiftR/Swift/exec/fifowrite =================================================================== --- SwiftApps/SwiftR/Swift/exec/fifowrite 2011-04-13 18:02:28 UTC (rev 4363) +++ SwiftApps/SwiftR/Swift/exec/fifowrite 2011-04-13 18:39:10 UTC (rev 4364) @@ -1,4 +1,4 @@ -#!/usr/bin/env bash +#! /usr/bin/env bash # Write to a fifo with a timeout, with the data specified by the -m option # If writing from a fifo is blocked after timeout specified # with -t option in milliseconds then this script exits with code 2. Modified: SwiftApps/SwiftR/Swift/exec/killtree =================================================================== --- SwiftApps/SwiftR/Swift/exec/killtree 2011-04-13 18:02:28 UTC (rev 4363) +++ SwiftApps/SwiftR/Swift/exec/killtree 2011-04-13 18:39:10 UTC (rev 4364) @@ -1,4 +1,5 @@ -#!/bin/sh +#! /usr/bin/env bash + tokill=$1 while [ ! -z $tokill ] do Modified: SwiftApps/SwiftR/Swift/exec/passive-coaster-swift =================================================================== --- SwiftApps/SwiftR/Swift/exec/passive-coaster-swift 2011-04-13 18:02:28 UTC (rev 4363) +++ SwiftApps/SwiftR/Swift/exec/passive-coaster-swift 2011-04-13 18:39:10 UTC (rev 4364) @@ -1,4 +1,4 @@ -#! /bin/bash +#! /usr/bin/env bash COMPUTEHOSTS=$1 # COMPUTEHOSTS='crush thwomp stomp crank steamroller grind churn trounce thrash vanquish' Modified: SwiftApps/SwiftR/Swift/exec/start-merlot =================================================================== --- SwiftApps/SwiftR/Swift/exec/start-merlot 2011-04-13 18:02:28 UTC (rev 4363) +++ SwiftApps/SwiftR/Swift/exec/start-merlot 2011-04-13 18:39:10 UTC (rev 4364) @@ -1,4 +1,4 @@ -#! /bin/bash +#! /usr/bin/env bash # Define internal functions Modified: SwiftApps/SwiftR/Swift/exec/start-swift =================================================================== --- SwiftApps/SwiftR/Swift/exec/start-swift 2011-04-13 18:02:28 UTC (rev 4363) +++ SwiftApps/SwiftR/Swift/exec/start-swift 2011-04-13 18:39:10 UTC (rev 4364) @@ -1,4 +1,4 @@ -#! /bin/bash +#! /usr/bin/env bash export TRAPEVENTS="EXIT 1 2 3 15" # Signals and conditions to trap Modified: SwiftApps/SwiftR/Swift/exec/start-swift-Rserver =================================================================== --- SwiftApps/SwiftR/Swift/exec/start-swift-Rserver 2011-04-13 18:02:28 UTC (rev 4363) +++ SwiftApps/SwiftR/Swift/exec/start-swift-Rserver 2011-04-13 18:39:10 UTC (rev 4364) @@ -1,4 +1,4 @@ -#! /bin/bash +#! /usr/bin/env bash SWIFTRBIN=$(cd $(dirname $0); pwd) Modified: SwiftApps/SwiftR/Swift/exec/start-swift-daemon =================================================================== --- SwiftApps/SwiftR/Swift/exec/start-swift-daemon 2011-04-13 18:02:28 UTC (rev 4363) +++ SwiftApps/SwiftR/Swift/exec/start-swift-daemon 2011-04-13 18:39:10 UTC (rev 4364) @@ -1,4 +1,4 @@ -#!/bin/sh +#! /usr/bin/env bash # This script is intended as a helper script to let # R launch start-swift. It works around the limitations # of the R system command, which cannot retrieve Modified: SwiftApps/SwiftR/Swift/exec/start-swift-workers =================================================================== --- SwiftApps/SwiftR/Swift/exec/start-swift-workers 2011-04-13 18:02:28 UTC (rev 4363) +++ SwiftApps/SwiftR/Swift/exec/start-swift-workers 2011-04-13 18:39:10 UTC (rev 4364) @@ -1,4 +1,4 @@ -#! /bin/bash +#! /usr/bin/env bash Usage() { From tga at ci.uchicago.edu Wed Apr 13 13:44:57 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Wed, 13 Apr 2011 13:44:57 -0500 (CDT) Subject: [Swift-commit] r4365 - SwiftApps/SwiftR/Swift/R Message-ID: <20110413184457.519119CCBB@svn.ci.uchicago.edu> Author: tga Date: 2011-04-13 13:44:57 -0500 (Wed, 13 Apr 2011) New Revision: 4365 Modified: SwiftApps/SwiftR/Swift/R/Export.R SwiftApps/SwiftR/Swift/R/Library.R Log: Made sure didn't return any extraneous data. Modified: SwiftApps/SwiftR/Swift/R/Export.R =================================================================== --- SwiftApps/SwiftR/Swift/R/Export.R 2011-04-13 18:39:10 UTC (rev 4364) +++ SwiftApps/SwiftR/Swift/R/Export.R 2011-04-13 18:44:57 UTC (rev 4365) @@ -87,6 +87,8 @@ session$exports[[length(session$exports) + 1]] <- file options(.swift.session=session) + return(NULL) + } newSession <- function () { @@ -104,6 +106,7 @@ # TODO: think about how to clean up data files. # it is hard to know when they can be safely removed options(.swift.session=newSession()) + return(NULL) } getExportDir <- function () { Modified: SwiftApps/SwiftR/Swift/R/Library.R =================================================================== --- SwiftApps/SwiftR/Swift/R/Library.R 2011-04-13 18:39:10 UTC (rev 4364) +++ SwiftApps/SwiftR/Swift/R/Library.R 2011-04-13 18:44:57 UTC (rev 4365) @@ -38,6 +38,7 @@ plist[[length(plist) + 1]] <- c("library", packname) options(.swift.packages=plist) + return (NULL) } swiftDetachAll <- function () { @@ -60,6 +61,7 @@ } }) options(.swift.packages=plist) + return (NULL) } sstartsWith <- function (str, prefix) { @@ -111,6 +113,7 @@ plist[[length(plist) + 1]] = c("detach", packname) options(.swift.packages=plist) + return (NULL) } buildLibStr <- function () { From skenny at ci.uchicago.edu Wed Apr 13 13:45:27 2011 From: skenny at ci.uchicago.edu (skenny at ci.uchicago.edu) Date: Wed, 13 Apr 2011 13:45:27 -0500 (CDT) Subject: [Swift-commit] r4366 - branches Message-ID: <20110413184527.DE6FB9CCBB@svn.ci.uchicago.edu> Author: skenny Date: 2011-04-13 13:45:27 -0500 (Wed, 13 Apr 2011) New Revision: 4366 Added: branches/release-0.92/ Removed: branches/release-0.92.1/ Log: reverting back Copied: branches/release-0.92 (from rev 4365, branches/release-0.92.1) From skenny at ci.uchicago.edu Wed Apr 13 13:47:51 2011 From: skenny at ci.uchicago.edu (skenny at ci.uchicago.edu) Date: Wed, 13 Apr 2011 13:47:51 -0500 (CDT) Subject: [Swift-commit] r4367 - tags Message-ID: <20110413184751.3C6F39CC6B@svn.ci.uchicago.edu> Author: skenny Date: 2011-04-13 13:47:51 -0500 (Wed, 13 Apr 2011) New Revision: 4367 Added: tags/release-0.92.1/ Log: tagging point release Copied: tags/release-0.92.1 (from rev 4366, branches/release-0.92) From tga at ci.uchicago.edu Wed Apr 13 14:00:09 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Wed, 13 Apr 2011 14:00:09 -0500 (CDT) Subject: [Swift-commit] r4368 - SwiftApps/SwiftR/Swift/R Message-ID: <20110413190009.967919CC6B@svn.ci.uchicago.edu> Author: tga Date: 2011-04-13 14:00:09 -0500 (Wed, 13 Apr 2011) New Revision: 4368 Modified: SwiftApps/SwiftR/Swift/R/Export.R SwiftApps/SwiftR/Swift/R/Library.R Log: Invisible return values for some functions. Modified: SwiftApps/SwiftR/Swift/R/Export.R =================================================================== --- SwiftApps/SwiftR/Swift/R/Export.R 2011-04-13 18:47:51 UTC (rev 4367) +++ SwiftApps/SwiftR/Swift/R/Export.R 2011-04-13 19:00:09 UTC (rev 4368) @@ -87,7 +87,7 @@ session$exports[[length(session$exports) + 1]] <- file options(.swift.session=session) - return(NULL) + return(invisible(NULL)) } @@ -106,7 +106,7 @@ # TODO: think about how to clean up data files. # it is hard to know when they can be safely removed options(.swift.session=newSession()) - return(NULL) + return(invisible(NULL)) } getExportDir <- function () { Modified: SwiftApps/SwiftR/Swift/R/Library.R =================================================================== --- SwiftApps/SwiftR/Swift/R/Library.R 2011-04-13 18:47:51 UTC (rev 4367) +++ SwiftApps/SwiftR/Swift/R/Library.R 2011-04-13 19:00:09 UTC (rev 4368) @@ -38,7 +38,7 @@ plist[[length(plist) + 1]] <- c("library", packname) options(.swift.packages=plist) - return (NULL) + return (invisible(NULL)) } swiftDetachAll <- function () { @@ -61,7 +61,7 @@ } }) options(.swift.packages=plist) - return (NULL) + return (invisible(NULL)) } sstartsWith <- function (str, prefix) { @@ -113,7 +113,7 @@ plist[[length(plist) + 1]] = c("detach", packname) options(.swift.packages=plist) - return (NULL) + return (invisible(NULL)) } buildLibStr <- function () { From tga at ci.uchicago.edu Wed Apr 13 14:01:15 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Wed, 13 Apr 2011 14:01:15 -0500 (CDT) Subject: [Swift-commit] r4369 - SwiftApps/SwiftR/Swift Message-ID: <20110413190115.4E11A9CC6B@svn.ci.uchicago.edu> Author: tga Date: 2011-04-13 14:01:15 -0500 (Wed, 13 Apr 2011) New Revision: 4369 Modified: SwiftApps/SwiftR/Swift/DESCRIPTION Log: Updated version number Modified: SwiftApps/SwiftR/Swift/DESCRIPTION =================================================================== --- SwiftApps/SwiftR/Swift/DESCRIPTION 2011-04-13 19:00:09 UTC (rev 4368) +++ SwiftApps/SwiftR/Swift/DESCRIPTION 2011-04-13 19:01:15 UTC (rev 4369) @@ -1,7 +1,7 @@ Package: Swift Type: Package Title: R interface to Swift parallel scripting languaage -Version: 0.1.8 +Version: 0.2.0 Date: 2011-04-12 Author: Michael Wilde Maintainer: Michael Wilde From tga at ci.uchicago.edu Wed Apr 13 14:02:50 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Wed, 13 Apr 2011 14:02:50 -0500 (CDT) Subject: [Swift-commit] r4370 - SwiftApps/SwiftR/Swift/R Message-ID: <20110413190250.675C39CC6B@svn.ci.uchicago.edu> Author: tga Date: 2011-04-13 14:02:50 -0500 (Wed, 13 Apr 2011) New Revision: 4370 Modified: SwiftApps/SwiftR/Swift/R/Export.R Log: Added quiet option for swiftExport. By default doesn't print out info about file location. Modified: SwiftApps/SwiftR/Swift/R/Export.R =================================================================== --- SwiftApps/SwiftR/Swift/R/Export.R 2011-04-13 19:01:15 UTC (rev 4369) +++ SwiftApps/SwiftR/Swift/R/Export.R 2011-04-13 19:02:50 UTC (rev 4370) @@ -46,7 +46,9 @@ swiftExport(list=ls(globalenv()), file=file) } -swiftExport <- function (..., list=NULL, file=NULL) { +swiftExport <- function (..., list=NULL, file=NULL, + quiet=getOption("swift.quiet")) { + if (is.null(quiet)) quiet <- TRUE # List of object names (as R symbols or as strings) # These will be passed directly to save() to be serialized if (is.null(file)) { @@ -59,7 +61,7 @@ } # Separate directory for each new R session to keep files together # and avoid conflicts. - cat("Export directory: ", dir, "\n") + if (!quiet) cat("Export directory: ", dir, "\n") dir.create(dir, recursive=T, showWarnings=FALSE, mode=kDIR_MODE) # add the file, keeping a counter to use in the file name @@ -67,7 +69,7 @@ if (is.null(expid)) expid = 0 options(.swift.exportid = expid + 1) file <- file.path(dir, sprintf("E%.7d",expid)) - cat("Export file: ", file, "\n") + if (!quiet) cat("Export file: ", file, "\n") # Keep track of files for later cleanup expfiles <- getOption(".swift.exportfiles") From tga at ci.uchicago.edu Wed Apr 13 14:48:40 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Wed, 13 Apr 2011 14:48:40 -0500 (CDT) Subject: [Swift-commit] r4371 - in SwiftApps/SwiftR: . Swift Message-ID: <20110413194840.596579CC6B@svn.ci.uchicago.edu> Author: tga Date: 2011-04-13 14:48:40 -0500 (Wed, 13 Apr 2011) New Revision: 4371 Modified: SwiftApps/SwiftR/IMMEDIATE-TODO SwiftApps/SwiftR/Swift/DESCRIPTION Log: Release 0.2.1 - minor changes. Modified: SwiftApps/SwiftR/IMMEDIATE-TODO =================================================================== --- SwiftApps/SwiftR/IMMEDIATE-TODO 2011-04-13 19:02:50 UTC (rev 4370) +++ SwiftApps/SwiftR/IMMEDIATE-TODO 2011-04-13 19:48:40 UTC (rev 4371) @@ -91,6 +91,7 @@ MID: Implement omxXXX parallel calls, update openmx code +* Detect in OpenMx whether swift cluster is initialized. MID: - More robust mechanism for swiftExport - use swift to stage? Modified: SwiftApps/SwiftR/Swift/DESCRIPTION =================================================================== --- SwiftApps/SwiftR/Swift/DESCRIPTION 2011-04-13 19:02:50 UTC (rev 4370) +++ SwiftApps/SwiftR/Swift/DESCRIPTION 2011-04-13 19:48:40 UTC (rev 4371) @@ -1,12 +1,12 @@ Package: Swift Type: Package Title: R interface to Swift parallel scripting languaage -Version: 0.2.0 -Date: 2011-04-12 +Version: 0.2.1 +Date: 2011-04-13 Author: Michael Wilde Maintainer: Michael Wilde Description: Routines to invoke R functions on remote resources through Swift. License: Apache License LazyLoad: yes -Packaged: 2011-04-12; Tim Armstrong +Packaged: 2011-04-13; Tim Armstrong From skenny at ci.uchicago.edu Wed Apr 13 15:41:48 2011 From: skenny at ci.uchicago.edu (skenny at ci.uchicago.edu) Date: Wed, 13 Apr 2011 15:41:48 -0500 (CDT) Subject: [Swift-commit] r4372 - www/downloads Message-ID: <20110413204148.ABCD19CC6B@svn.ci.uchicago.edu> Author: skenny Date: 2011-04-13 15:41:48 -0500 (Wed, 13 Apr 2011) New Revision: 4372 Modified: www/downloads/index.php Log: updated point release Modified: www/downloads/index.php =================================================================== --- www/downloads/index.php 2011-04-13 19:48:40 UTC (rev 4371) +++ www/downloads/index.php 2011-04-13 20:41:48 UTC (rev 4372) @@ -27,16 +27,12 @@

    DOWNLOADS

    Latest Release

    -

    Swift 0.92 - 2011/03/04

    +

    Swift 0.92.1 - 2011/04/13

    Precompiled binary distribution -[swift-0.92.tar.gz] +[swift-0.92.1.tar.gz] -

    -

    Source Code

    @@ -53,22 +49,17 @@ So here are the steps:

    - -

    Latest Release

    - -

    WARNING: Code Problem: the latest Swift release, 0.92, has a known concurrency defect, discovered Mar 29 2011. Please do not use or trust this release until we post that the problem has been corrected. We suggest you use release 0.91, below, or use 0.92 with caution.

    -

    Checkout CoG:

    svn co \ -https://cogkit.svn.sourceforge.net/svnroot/cogkit/branches/4.1.8/src/cog
    +https://cogkit.svn.sourceforge.net/svnroot/cogkit/tags/swift_0.92.1 cog

    Checkout Swift:

    cd cog/modules
    -
    svn co https://svn.ci.uchicago.edu/svn/vdl2/branches/release-0.92 swift
    +
    svn co https://svn.ci.uchicago.edu/svn/vdl2/tags/release-0.92.1 swift

    From ketan at ci.uchicago.edu Wed Apr 13 17:55:14 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Wed, 13 Apr 2011 17:55:14 -0500 (CDT) Subject: [Swift-commit] r4373 - www/cookbook Message-ID: <20110413225514.A90889CCBB@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-13 17:55:14 -0500 (Wed, 13 Apr 2011) New Revision: 4373 Modified: www/cookbook/cookbook-asciidoc.html www/cookbook/cookbook-asciidoc.txt Log: Added bionimbus-swift related stuff, to be refined and organized Modified: www/cookbook/cookbook-asciidoc.html =================================================================== --- www/cookbook/cookbook-asciidoc.html 2011-04-13 20:41:48 UTC (rev 4372) +++ www/cookbook/cookbook-asciidoc.html 2011-04-13 22:55:14 UTC (rev 4373) @@ -585,8 +585,7 @@

    This cookbook covers various recipes involving running Swift under diverse configurations based on the application requirements and underlying infrastructures. The SwiftScript language and the Swift runtim system. For introductory material, consult the Swift tutorial.

    Swift is a data-oriented coarse grained scripting language that supports dataset typing and mapping, dataset iteration, conditional branching, and procedural composition.

    Swift programs (or workflows) are written in a language called SwiftScript.

    -

    SwiftScript programs are dataflow oriented - they are primarily concerned with processing (possibly large) collections of data files, by invoking programs to do that processing. Swift handles execution of -such programs on remote sites by choosing sites, handling the staging of input and output files to and from the chosen sites and remote execution of program code.

    +

    SwiftScript programs are dataflow oriented - they are primarily concerned with processing (possibly large) collections of data files, by invoking programs to do that processing. Swift handles execution of such programs on remote sites by choosing sites, handling the staging of input and output files to and from the chosen sites and remote execution of program code.

    @@ -608,14 +607,22 @@ distribution and trunk.
    +
    +

    2.2.1. Setting transformation catalog

    +

    tc

    +
    +

    2.2.2. Setting swift configuration

    +

    cf

    +
    +

    2.3. First SwiftScript

    Your first SwiftScript Hello Swift-World!

    -

    2.4. Second SwiftScript

    +

    2.4. second SwiftScript

    Your second SwiftScript catsn

    @@ -658,7 +665,26 @@

    3.5. Bionimbus

    -

    Swift on Bionimbus

    +

    Swift on Bionimbus +.VERY IMPORTANT TO READ THIS

    +

    CONTAINS INFORMATION ON HOW TO CONNECT BACK TO GATEWAY FROM VIRTUAL MACHINES +USING REVERSE SSH TUNNELING

    +

    TO OPEN A REVERSE SSH TUNNEL DO THE FOLLOWING: +.FROM THE GATEWAY PROMPT

    +

    ssh -R *:5000:localhost:5000 root at 10.101.8.50 sleep 999

    +

    WHERE: +*=network interface, should remain the same on all cases +localhost=the gateway host, should remain the same

    +

    5000(LEFT OF localhost)=the port number on localhost to listen to **THIS WILL +VARY DEPENDING UPON WHICH PORT YOU WANT TO LISTEN TO

    +

    5000(RIGHT OF localhost)=the port on target host that you want to forward

    +

    root at 10.101.8.50=the ip of the Virtual Machine on bionimbus cloud, this will +vary based on what ip you get for your Virtual Machine instance

    +

    coaster-service -port 1984 -localport 35753 -nosec

    +

    #On anywhere as long as provide the correct callback uri: here the +"http://140.221.9.110:42195" is the callback uri of previous ones

    +

    worker.pl http://localhost:42195 tmp /tmp # where 42195 is the port where the +coaster service is listening to the workers

    3.6. Magellan

    @@ -673,15 +699,16 @@ Include neat diagrams.

    4.1. For Beginners

    -

    Coasters for beginners.

    +

    Coasters for beginners. Usage of existing, prebuilt templates.

    4.2. For Intermediate Users

    -

    Coasters for intermediate users.

    +

    Coasters for intermediate users. Usage of gensites to generate your own sites +configurations.

    4.3. For Advanced Users

    -

    Coasters for advanced users.

    +

    Coasters for advanced users. Getting your hands dirty.

    4.4. How to run Swift under different Coasters configurations

    @@ -701,54 +728,16 @@

    4.5. Summary of Differences Between different Coaster types

    A tabular representations of highlights of different coaster setups

    +

    Data Management

    -
    -

    5. Collective Data Management (CDM) and JETS

    -
    -

    CDM and JETS

    -
    -

    5.1. CDM

    -

    todo

    -
    -

    5.2. JETS

    -

    todo

    -
    -
    -
    -
    -

    6. Debugging Swift

    -
    -

    De-bug.

    -
    -

    6.1. Debugging Heuristics or Where to look when things break

    -

    Steps to follow to debug Swift

    -
    -
    -

    6.2. Swift Logging and log4j Setup

    -

    Logging levels for Swift.

    -
    -
    -

    6.3. What if Swift hangs?

    -

    Swift has a built-in hang-checker that chips in when Swift hangs.

    -
    -
    -
    -
    -

    7. Deprecated things of Swift

    -
    -

    Notes on things that have been deprecated and may not be supported in the near -future.

    -
    -
    -
    Modified: www/cookbook/cookbook-asciidoc.txt =================================================================== --- www/cookbook/cookbook-asciidoc.txt 2011-04-13 20:41:48 UTC (rev 4372) +++ www/cookbook/cookbook-asciidoc.txt 2011-04-13 22:55:14 UTC (rev 4373) @@ -16,8 +16,7 @@ Swift programs (or workflows) are written in a language called SwiftScript. -SwiftScript programs are dataflow oriented - they are primarily concerned with processing (possibly large) collections of data files, by invoking programs to do that processing. Swift handles execution of -such programs on remote sites by choosing sites, handling the staging of input and output files to and from the chosen sites and remote execution of program code. +SwiftScript programs are dataflow oriented - they are primarily concerned with processing (possibly large) collections of data files, by invoking programs to do that processing. Swift handles execution of such programs on remote sites by choosing sites, handling the staging of input and output files to and from the chosen sites and remote execution of program code. Swift Basics ------------ @@ -34,13 +33,21 @@ The environment will be different when using Swift from prebuilt distribution and trunk. +Setting transformation catalog +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ +tc + +Setting swift configuration +^^^^^^^^^^^^^^^^^^^^^^^^^^^^ +cf + First SwiftScript ~~~~~~~~~~~~~~~~~ Your first SwiftScript Hello Swift-World! -Second SwiftScript +second SwiftScript ~~~~~~~~~~~~~~~~~~~ Your second SwiftScript catsn @@ -88,7 +95,36 @@ Bionimbus ~~~~~~~~~ Swift on Bionimbus +.VERY IMPORTANT TO READ THIS +CONTAINS INFORMATION ON HOW TO CONNECT BACK TO GATEWAY FROM VIRTUAL MACHINES +USING REVERSE SSH TUNNELING + +TO OPEN A REVERSE SSH TUNNEL DO THE FOLLOWING: +.FROM THE GATEWAY PROMPT + ++ssh -R *:5000:localhost:5000 root at 10.101.8.50 sleep 999+ + +WHERE: +*=network interface, should remain the same on all cases +localhost=the gateway host, should remain the same + +5000(LEFT OF localhost)=the port number on localhost to listen to **THIS WILL +VARY DEPENDING UPON WHICH PORT YOU WANT TO LISTEN TO + +5000(RIGHT OF localhost)=the port on target host that you want to forward + +root at 10.101.8.50=the ip of the Virtual Machine on bionimbus cloud, this will +vary based on what ip you get for your Virtual Machine instance + ++coaster-service -port 1984 -localport 35753 -nosec+ + +#On anywhere as long as provide the correct callback uri: here the +"http://140.221.9.110:42195" is the callback uri of previous ones + ++worker.pl http://localhost:42195 tmp /tmp # where 42195 is the port where the +coaster service is listening to the workers+ + Magellan ~~~~~~~~ Swift on Magellan @@ -101,15 +137,16 @@ For Beginners ~~~~~~~~~~~~~~ -Coasters for beginners. +Coasters for beginners. Usage of existing, prebuilt templates. For Intermediate Users ~~~~~~~~~~~~~~~~~~~~~~~ -Coasters for intermediate users. +Coasters for intermediate users. Usage of gensites to generate your own sites +configurations. For Advanced Users ~~~~~~~~~~~~~~~~~~~ -Coasters for advanced users. +Coasters for advanced users. Getting your hands dirty. How to run Swift under different Coasters configurations @@ -132,41 +169,5 @@ A tabular representations of highlights of different coaster setups -Collective Data Management (CDM) and JETS --------------------------------------------- -CDM and JETS +Data Management -CDM -~~~~ - -todo - -JETS -~~~~~ - -todo - -Debugging Swift ---------------- - -De-bug. - -Debugging Heuristics or Where to look when things break -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -Steps to follow to debug Swift - -Swift Logging and log4j Setup -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -Logging levels for Swift. - -What if Swift hangs? -~~~~~~~~~~~~~~~~~~~~~ - -Swift has a built-in hang-checker that chips in when Swift hangs. - - -Deprecated things of Swift ---------------------------- -Notes on things that have been deprecated and may not be supported in the near -future. - From hategan at ci.uchicago.edu Thu Apr 14 14:28:02 2011 From: hategan at ci.uchicago.edu (hategan at ci.uchicago.edu) Date: Thu, 14 Apr 2011 14:28:02 -0500 (CDT) Subject: [Swift-commit] r4374 - trunk/src/org/griphyn/vdl/karajan/lib Message-ID: <20110414192802.AECC39CCBB@svn.ci.uchicago.edu> Author: hategan Date: 2011-04-14 14:28:02 -0500 (Thu, 14 Apr 2011) New Revision: 4374 Modified: trunk/src/org/griphyn/vdl/karajan/lib/Stageout.java Log: fixed restarts Modified: trunk/src/org/griphyn/vdl/karajan/lib/Stageout.java =================================================================== --- trunk/src/org/griphyn/vdl/karajan/lib/Stageout.java 2011-04-13 22:55:14 UTC (rev 4373) +++ trunk/src/org/griphyn/vdl/karajan/lib/Stageout.java 2011-04-14 19:28:02 UTC (rev 4374) @@ -55,7 +55,7 @@ if (!isPrimitive(var)) { retPaths(STAGEOUT, stack, var); } - else if (var.isRestartable()) { + if (var.isRestartable()) { retPaths(RESTARTOUT, stack, var); } } From hategan at ci.uchicago.edu Thu Apr 14 14:31:15 2011 From: hategan at ci.uchicago.edu (hategan at ci.uchicago.edu) Date: Thu, 14 Apr 2011 14:31:15 -0500 (CDT) Subject: [Swift-commit] r4375 - trunk/src/org/griphyn/vdl/karajan/lib/cache Message-ID: <20110414193115.A49CB9CCBB@svn.ci.uchicago.edu> Author: hategan Date: 2011-04-14 14:31:15 -0500 (Thu, 14 Apr 2011) New Revision: 4375 Modified: trunk/src/org/griphyn/vdl/karajan/lib/cache/CacheMapAdapter.java trunk/src/org/griphyn/vdl/karajan/lib/cache/LRUFileCache.java Log: added a couple of toStrings Modified: trunk/src/org/griphyn/vdl/karajan/lib/cache/CacheMapAdapter.java =================================================================== --- trunk/src/org/griphyn/vdl/karajan/lib/cache/CacheMapAdapter.java 2011-04-14 19:28:02 UTC (rev 4374) +++ trunk/src/org/griphyn/vdl/karajan/lib/cache/CacheMapAdapter.java 2011-04-14 19:31:15 UTC (rev 4375) @@ -61,4 +61,8 @@ public Collection values() { throw new UnsupportedOperationException(); } + + public String toString() { + return cache.toString(); + } } Modified: trunk/src/org/griphyn/vdl/karajan/lib/cache/LRUFileCache.java =================================================================== --- trunk/src/org/griphyn/vdl/karajan/lib/cache/LRUFileCache.java 2011-04-14 19:28:02 UTC (rev 4374) +++ trunk/src/org/griphyn/vdl/karajan/lib/cache/LRUFileCache.java 2011-04-14 19:31:15 UTC (rev 4375) @@ -74,4 +74,8 @@ } } } + + public String toString() { + return "LRU File Cache"; + } } From wilde at ci.uchicago.edu Fri Apr 15 10:12:56 2011 From: wilde at ci.uchicago.edu (wilde at ci.uchicago.edu) Date: Fri, 15 Apr 2011 10:12:56 -0500 (CDT) Subject: [Swift-commit] r4376 - www/inc Message-ID: <20110415151256.7504A9CC7F@svn.ci.uchicago.edu> Author: wilde Date: 2011-04-15 10:12:56 -0500 (Fri, 15 Apr 2011) New Revision: 4376 Modified: www/inc/home_sidebar.php Log: Update latest release number to 0.92.1 on main page sidebar. Modified: www/inc/home_sidebar.php =================================================================== --- www/inc/home_sidebar.php 2011-04-14 19:31:15 UTC (rev 4375) +++ www/inc/home_sidebar.php 2011-04-15 15:12:56 UTC (rev 4376) @@ -2,9 +2,9 @@

    What's New?

    Paper published

    Parallel Scripting for Applications at the Petascale and Beyond [pdf]


    -

    SWIFT 0.91 RELEASE - 2010/12/23

    +

    SWIFT 0.92.1 RELEASE - 2011/04/13

    -The latest release of Swift, v0.91, is available from the +The latest release of Swift, v0.92.1, is available from the downloads page.


    From ketan at ci.uchicago.edu Fri Apr 15 10:31:59 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Fri, 15 Apr 2011 10:31:59 -0500 (CDT) Subject: [Swift-commit] r4377 - www/cookbook Message-ID: <20110415153159.907289CC7F@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-15 10:31:59 -0500 (Fri, 15 Apr 2011) New Revision: 4377 Modified: www/cookbook/cookbook-asciidoc.html www/cookbook/cookbook-asciidoc.txt Log: more content: need to refine Modified: www/cookbook/cookbook-asciidoc.html =================================================================== --- www/cookbook/cookbook-asciidoc.html 2011-04-15 15:12:56 UTC (rev 4376) +++ www/cookbook/cookbook-asciidoc.html 2011-04-15 15:31:59 UTC (rev 4377) @@ -581,11 +581,21 @@

    1. Overview

    -

    Swift cookbook overview. Goals of this cookbook. Organization of this cookbook. Benefits of cookbook.

    -

    This cookbook covers various recipes involving running Swift under diverse configurations based on the application requirements and underlying infrastructures. The SwiftScript language and the Swift runtim system. For introductory material, consult the Swift tutorial.

    -

    Swift is a data-oriented coarse grained scripting language that supports dataset typing and mapping, dataset iteration, conditional branching, and procedural composition.

    +

    Swift cookbook overview. Goals of this cookbook. Organization of this +cookbook. Benefits of cookbook.

    +

    This cookbook covers various recipes involving running Swift under diverse +configurations based on the application requirements and underlying +infrastructures. The SwiftScript language and the Swift runtim system. For +introductory material, consult the Swift tutorial.

    +

    Swift is a data-oriented coarse grained scripting language that supports +dataset typing and mapping, dataset iteration, conditional branching, and +procedural composition.

    Swift programs (or workflows) are written in a language called SwiftScript.

    -

    SwiftScript programs are dataflow oriented - they are primarily concerned with processing (possibly large) collections of data files, by invoking programs to do that processing. Swift handles execution of such programs on remote sites by choosing sites, handling the staging of input and output files to and from the chosen sites and remote execution of program code.

    +

    SwiftScript programs are dataflow oriented - they are primarily concerned with +processing (possibly large) collections of data files, by invoking programs to +do that processing. Swift handles execution of such programs on remote sites +by choosing sites, handling the staging of input and output files to and from +the chosen sites and remote execution of program code.

    @@ -594,7 +604,34 @@

    2.1. Installation

    Installation instructions

    +
    +

    2.1.1. prerequisites

    +

    Check your Java +Swift is a Java application. Make sure you’re running Java 5 or higher. You +can make sure you have Java in your $HOME/.soft file and the softenv system +(http://www.ci.uchicago.edu/wiki/bin/view/Resources/Softenv) will set it up +for you. To run Java 6:

    +
    +
    +
    $ grep java $HOME/.soft
+#+java-sun # Gives you Java 5
++java-1.6.0_03-sun-r1
+$ which java
+/soft/java-1.6.0_11-sun-r1/bin/java
+$ java -version
+java version "1.6.0_11"
+Java(TM) SE Runtime Environment (build 1.6.0_11-b03)
+Java HotSpot(TM) 64-Bit Server VM (build 11.0-b16, mixed mode)
    +
    +

    Setting up to run Swift +This is simple. We’ll be using a version of the Swift stable SVN branch, +compiled for this class. Make sure you have a suitable Java set up. The examples were tested with +Java version 1.6 Make sure you don’t already have Swift in your PATH. If you do, remove it, +or remove any +swift or @swift lines from your $HOME/.soft file. Then do: PATH=$PATH:/home/wilde/bigdata/swift/bin + Do NOT set SWIFT_HOME or CLASSPATH in your environment unless you fully +understand how these will affect Swift’s execution

    +

    2.2. Environment Setup

    Setting up the environment

    @@ -607,6 +644,23 @@ distribution and trunk.
    +
    +
    +
        To execute your Swift script on the login host ("localhost") use this
+command:
    +
    +
    +
    +
    swift -tc.file tc modis.swift
    +
    +
    +
    +
    To execute your Swift script on the PADS cluster use this command:
    +
    +
    +
    +
    swift -tc.file tc -sites.file pbs.xml modis.swift
    +

    2.2.1. Setting transformation catalog

    tc

    @@ -615,11 +669,148 @@

    2.2.2. Setting swift configuration

    cf

    +
    +

    2.2.3. Mappers

    +

    SimpleMapper

    +
    +
    +
    com$ cat swiftapply.swift
+type RFile;
+trace("hi 1");
+app (RFile result) RunR (RFile rcall)
+{
+  RunR @rcall @result;
+}
+trace("hi 2");
+RFile rcalls[] ;
+RFile results[] ;
+trace("start");
+foreach c, i in rcalls {
+  trace("c",i, at c);
+  trace("r",i, at filename(results[i]));
+  results[i] = RunR(c);
+}
+com$ ls calldir resdir
+calldir:
+rcall.1.Rdata  rcall.2.Rdata  rcall.3.Rdata  rcall.4.Rdata
+resdir:
+result.1.Rdata result.2.Rdata result.3.Rdata result.4.Rdata
+com$
    +
    +

    Notes:

    +

    how the .'s match +prefix and suffix dont span dirs +intervening pattern must be digits +these digits become the array indices +explain how padding= arg works & helps (including padding=0) +figure out and explain differences between simple_mapper and +filesys_mapper +FIXME: Use the "filesys_mapper" and its "location=" parameter to map the +input data from /home/wilde/bigdata/*

    +

    Abbreviations for SingleFileMapper +Notes:

    +

    within <> you can only have a literal string as in <"filename">, not an +expression. Someday we will fix this to make <> accept a general expression. +you can use @filenames( ) (note: plural) to pull off a list of filenames.

    +

    writeData()

    +

    example here

    +
    +
    +
    $ cat writedata.swift
+type file;
+file f <"filea">;
+file nf <"filenames">;
+nf = writeData(@f);
+$ swift writedata.swift
+Swift svn swift-r3264 (swift modified locally) cog-r2730 (cog modified
+locally)
+RunID: 20100319-2002-s9vpo0pe
+Progress:
+Final status:
+$ cat filenames
+filea$
+$
    +
    +

    StructuredRegexpMapper +IN PROGRESS This mapper can be used to base the mapped filenames of an output +array on the mapped filenames of an existing array. landuse outputfiles[] +<structured_regexp_mapper; source=inputfiles, +location="./output",match="(.)*tif", transform="\\1histogram">;

    +

    Use the undocumented "structured_regexp_mapper" to name the output +filenames based on the input filenames:

    +

    For example:

    +
    +
    +
    login2$ ls /home/wilde/bigdata/data/sample
+h11v04.histogram  h11v05.histogram  h12v04.histogram  h32v08.histogram
+h11v04.tif        h11v05.tif        h12v04.tif        h32v08.tif
+login2$
+
+login2$ cat regexp2.swift
+type tif;
+type mytype;
+
+tif  images[]<filesys_mapper;
+location="/home/wilde/bigdata/data/sample", prefix="h", suffix=".tif">;
+
+mytype of[] <structured_regexp_mapper; source=images, match="(h..v..)",
+transform="output/myfile.\\1.mytype">;
+
+foreach image, i in images {
+   trace(i, at filename(images));
+   trace(i, at filename(of[i]));
+}
+login2$
+
+login1$ swift regexp2.swift
+Swift svn swift-r3255 (swift modified locally) cog-r2723 (cog modified
+locally)
+
+RunID: 20100310-1105-4okarq08
+Progress:
+SwiftScript trace: 1, output/myfile.h11v04.mytype
+SwiftScript trace: 2, home/wilde/bigdata/data/sample/h11v05.tif
+SwiftScript trace: 3, home/wilde/bigdata/data/sample/h12v04.tif
+SwiftScript trace: 0, output/myfile.h32v08.mytype
+SwiftScript trace: 0, home/wilde/bigdata/data/sample/h32v08.tif
+SwiftScript trace: 3, output/myfile.h12v04.mytype
+SwiftScript trace: 1, home/wilde/bigdata/data/sample/h11v04.tif
+SwiftScript trace: 2, output/myfile.h11v05.mytype
+Final status:
+login1$
    +
    +

    2.3. First SwiftScript

    Your first SwiftScript Hello Swift-World!

    +

    A good sanity check that Swift is set up and running OK locally is this:

    +
    +
    +
    $ which swift
+
+/home/wilde/swift/src/stable/cog/modules/swift/dist/swift-svn/bin/swift
+
+$ echo 'trace("Hello, Swift world!");' >hello.swift
+
+$ swift hello.swift
+
+Swift svn swift-r3202 cog-r2682
+
+RunID: 20100115-1240-6xhzxuz3
+
+Progress:
+
+SwiftScript trace: Hello, Swift world!
+
+Final status:
+
+$
    +
    +

    A good first tutorial in using Swift is at: +http://www.ci.uchicago.edu/swift/guides/tutorial.php. Follow the steps in that +tutorial to learn how to run a few simple scripts on the login host.

    2.4. second SwiftScript

    @@ -631,8 +822,109 @@

    A description of Swift Commandline Options

    Also includes a description of Swift inputs and outputs.

    +
    +

    2.6. Resuming a stopped or crashed Swift Run

    +

    I had a .rlog file from a Swift run that ran out of time. I kicked it off +using the -resume flag described in section 16.2 of the Swift User Guide and +it picked up where it left off. Then I killed it because I wanted to make +changes to my sites file.

    +
    +
    +
    . . .
+Progress:  Selecting site:1150  Stage in:55  Active:3  Checking status:1
+Stage out:37  Finished in previous run:2462  Finished successfully:96
+Progress:  Selecting site:1150  Stage in:55  Active:2  Checking status:1
+Stage out:38  Finished in previous run:2462  Finished successfully:96
+Cleaning up...
+Shutting down service at https://192.5.86.6:54813
+Got channel MetaChannel: 1293358091 -> null
++ Done
+Canceling job 9297.svc.pads.ci.uchicago.edu
    +
    +

    No new rlog file was emitted but it did recognize the progress that had been +made, the 96 tasks that finished sucessfully above and resumed from 2558 tasks +finished.

    +
    +
    +
    [nbest at login2 files]$ pwd
+/home/nbest/bigdata/files
+[nbest at login2 files]$
+~wilde/swift/src/stable/cog/modules/swift/dist/swift-svn/bin/swift \
+> -tc.file tc -sites.file pbs.xml ~/scripts/mcd12q1.swift -resume
+> mcd12q1-20100310-1326-ptxe1x1d.0.rlog
+Swift svn swift-r3255 (swift modified locally) cog-r2723 (cog modified
+locally)
+RunID: 20100311-1027-148caf0a
+Progress:
+Progress:  uninitialized:4
+Progress:  Selecting site:671  Initializing site shared directory:1  Finished
+in previous run:1864
+Progress:  uninitialized:1  Selecting site:576  Stage in:96  Finished in
+previous run:1864
+Progress:  Selecting site:1150  Stage in:94  Submitting:2  Finished in
+previous run:2558
+Progress:  Selecting site:1150  Stage in:94  Submitted:2  Finished in previous
+run:2558
+Progress:  Selecting site:1150  Stage in:93  Submitting:1  Submitted:2
+Finished in previous run:2558
+Progress:  Selecting site:1150  Stage in:90  Submitting:1  Submitted:5
+Finished in previous run:2558
+Progress:  Selecting site:1150  Stage in:90  Submitted:5  Active:1  Finished
+in previous run:2558
    +
    +

    From Neil: A comment about that section of the user guide: It says "In order +to restart from a restart log file, the -resume logfile argument can be used +after the SwiftScript? program file name." and then puts the -resume logfile +argument before the script file name. I’m sure the order doesn’t matter but +the contradiction is confusing.

    +

    Notes to add (from Mike):

    +
      +
    • +

      +explain what aspects of a Swift script make it restartable, and which + aspects are notrestartable. Eg, if your mappers can return different data at +different times, what happens? What other non-determinsitc behavior would +cause unpredictable, unexpected, or undesired behavior on resumption? +

      +
      • +
    • +

      +explain what changes you can make in the execution environment (eg + increasing or reducing CPUs to run on or throttles, etc); fixing tc.data +entries, env vars, or apps, etc. +

      +
      • +
    • +

      +note that resume will again retry failed app() calls. Explain if the retry + count starts over or not. +

      +
      • +
    • +

      +explain how to resume after multiple failures and resumes - i.e. if a .rlog + is generated on each run, which one should you resume from? Do you have a +choice of resuming from any of them, and what happens if you go backwards to +an older resume file? +

      +
      • +
    • +

      +whap happens when you kill (eg with C) a running swift script? Is the + signal caught, and the resume file written out at that point? Or written out +all along? (Note case in which script ws running for hours, then hit C, but +resume fie was short (54 bbytes) and swift shows no sign of doing a resume? +(It silently ignored resume file instead of acknowleging that it found one +with not useful resume state in it???) Swift should clearly state that its +resuming and what its resume state is. +

      +
      • +
    +

    swift -resume ftdock-[id].0.rlog \[rest of the exact command line from initial +run\]

    +

    3. Swift on …

    @@ -650,6 +942,8 @@

    step 4. Start using Swift! To get started with and example, copy the folder at /lustre/beagle/ketan/labs/catsn.works to your home and follow the instructions in README of that folder.

    +

    Note: Running from sandbox node or requesting 1 hour walltime for upto 3 nodes +will get fast prioritized execution. Good for small tests

    3.2. Intrepid-BG/P

    @@ -666,17 +960,17 @@

    3.5. Bionimbus

    Swift on Bionimbus -.VERY IMPORTANT TO READ THIS

    -

    CONTAINS INFORMATION ON HOW TO CONNECT BACK TO GATEWAY FROM VIRTUAL MACHINES -USING REVERSE SSH TUNNELING

    -

    TO OPEN A REVERSE SSH TUNNEL DO THE FOLLOWING: -.FROM THE GATEWAY PROMPT

    +.very important to read this

    +

    contains information on how to connect back to gateway from virtual machines +using reverse ssh tunneling

    +

    to open a reverse ssh tunnel do the following: +.from the gateway prompt

    ssh -R *:5000:localhost:5000 root at 10.101.8.50 sleep 999

    WHERE: *=network interface, should remain the same on all cases localhost=the gateway host, should remain the same

    5000(LEFT OF localhost)=the port number on localhost to listen to **THIS WILL -VARY DEPENDING UPON WHICH PORT YOU WANT TO LISTEN TO

    +vary depending upon which port you want to listen to

    5000(RIGHT OF localhost)=the port on target host that you want to forward

    root at 10.101.8.50=the ip of the Virtual Machine on bionimbus cloud, this will vary based on what ip you get for your Virtual Machine instance

    @@ -696,16 +990,90 @@

    4. Coasters

    Describe coasters mechanisms. -Include neat diagrams.

    +Include neat diagrams.

    +

    A nice coasters setup case-study:

    +
    +
    +
    Your main sites.xml coaster settings were:
+
+<execution provider="coaster" jobmanager="local:pbs"/>
+<profile namespace="globus" key="project">CI-CCR000013</profile>
+<profile namespace="globus" key="ppn">24:cray:pack</profile>
+<profile namespace="globus" key="workersPerNode">24</profile>
+<profile namespace="globus" key="maxTime">100000</profile>
+<profile namespace="globus" key="lowOverallocation">100</profile>
+<profile namespace="globus" key="highOverallocation">100</profile>
+<profile namespace="globus" key="slots">20</profile>
+<profile namespace="globus" key="nodeGranularity">5</profile>
+<profile namespace="globus" key="maxNodes">5</profile>
+<profile namespace="karajan" key="jobThrottle">20.00</profile>
+<profile namespace="karajan" key="initialScore">10000</profile>
+
+Your tc entry (shortened here) was:
+
+pbs modftdock /.../modftdock.sh null null GLOBUS::maxwalltime="02:00:00"
+
+And you said you saw in PBS: 13 jobs of 24 hours and 4 jobs of 22 hours. I
+suspect this was after the script had been running a while, and many jobs had
+been completed.
+
+Based on your settings, I think you should have had at one time about 17
+coaster block jobs running, because the throttle on your coaster pool was set
+to 20 (which would cause Swift to try to run about 2000 apps at once - 2001 to
+be precise). Since each job should have requested exactly 5 nodes (based on
+your maxnodes=nodegranularity=5 setting above), Swift would have had to run 17
+jobs to accomodate 2000 apps (17 * (5*24) ) = 2040 apps. 24 comes from your
+workerspernode setting, which is a poorly-named parameter that we are renaming
+to what it really specifies: appsPerNode for concurrent application calls per
+node.
+
+I also suspect that that when this workflow started, coasters was requesting
+blocks of time closer to the 100,000 seconds that you specified for maxtime?
+(thats ~27 hours). I think the qstat snapshot you provided showed fewer than
+17 jobs and job times shorter than 27 hours (24 and 22 hours) because there
+was no longer enough apps remaining to run to require those higher values. But
+it was still going to try to run all the remaining jobs - probably fewer than
+2000 jobs remained when you run the enclosed qstat. In fact the jobs remaining
+at the time was likely less than:
+
+13*5*(24/2) + 4*5*(22/2) = 120*12 + 20*10 signifying <= 1640 jobs remaining
+
+Since the maxwalltime estimate for your app in tc.data was 2 hours, I think
+coasters will pick a wall time that is the min(time needed for jobs remaining,
+time needed for max throttle jobs based on maxtime and high/low overallocation
+settings).
+
+A note here to Swift developers: we need to first clarify the behavior of
+coasters in detail in the User Guide; then we need to build suitable templates
+that *greatly* simplify the settings and end-user parameters, and explain
+those simpler settings for use by all but the most sophisticated users with
+complex needs.
+
+We also need to do much more experimentation to see if coasters will run OK
+with far less parameter-override specification, and see if its automation and
+algorithmic intelligence will do the right thing in almost all cases.
+
+Most of the time in current use we specify overrides for almost all settings
+so that we get a precise shape and number of jobs submitted. Doing that
+assumes we know better than coasters and forces the user to understand how to
+override all the settings.
+
+Its a very interesting question, and a hard but critically important one to
+answer to make usage simpler.
    +

    4.1. For Beginners

    Coasters for beginners. Usage of existing, prebuilt templates.

    4.2. For Intermediate Users

    -

    Coasters for intermediate users. Usage of gensites to generate your own sites +

    Coasters for intermediate users.

    +
    +

    4.2.1. Using gensites

    +

    Usage of gensites to generate your own sites configurations.

    +

    4.3. For Advanced Users

    Coasters for advanced users. Getting your hands dirty.

    @@ -730,14 +1098,88 @@

    A tabular representations of highlights of different coaster setups

    Data Management

    +
    +

    4.6. Debugging Swift

    +

    Note: The Swift installation at /home/wilde/bigdata/swift includes a +swift.properties file that has been modified to over-ride the defaults with +the following property values that are useful for script debugging:

    +

    execution.retries=0

    +

    sitedir.keep=true

    +

    status.mode=provider

    +

    wrapperlog.always.transfer=true

    +
    + + + +
    +
    Note
    +    		How to clone copies of swift.properties and things to watch for +(like the macros at the start, and unexpected properties in ~/.swift.
    +

    Swift errors are logged in several places:

    +
      +
    1. +

      +all text from standard output and standard error produced by running the +swift command +

      +
      2. +
    2. +

      +The .log file from this run. It will be named swiftscript.uniqueID.log +where "swiftscript" is the name of your *.swift script source file, and +uniqueID is a long unique id which starts with the date and time you ran the +swift command. +

      +
      3. +
    3. +

      +$HOME/.globus/coasters directory on remote machines on which you are +running coasters +

      +
      4. +
    4. +

      +$HOME/.globus/scripts directory on the host on which you run the Swift +command, when swift is submitting to a local scheduler (Condor, PBS, SGE, +Cobalt) +

      +
      5. +
    5. +

      +$HOME/.globus/??? on remote systems that you access via Globus +

      +
      6. +
    +
    +

    4.7. Problem Reporting

    +

    When reporting problems to swift-user at ci.uchicago.edu, please attach the +following files and information:

    +

    tc.data and sites.xml (or whatever you named these files) +your .swift source file and any .swift files it imports +any external mapper scripts called by your .swift script +all text from standard output and standard error produced by running the +swift command +The .log file from this run. It will be named swiftscript.uniqueID.log +where "swiftscript" is the name of your *.swift script source file, and +uniqueID is a long unique id which starts with the date and time you ran the +swift command. +The swift command line you invoked +Any swift.properties entries you over-rode ($HOME/.swift/swift.properties, +-config.file argument properties file, any changes to etc/swift.proerties from +your swift distribution) +Which swift distribution you are running (release; svn revisions; other +local changes you mave have made or included)

    +
    +
    +
    Modified: www/cookbook/cookbook-asciidoc.txt =================================================================== --- www/cookbook/cookbook-asciidoc.txt 2011-04-15 15:12:56 UTC (rev 4376) +++ www/cookbook/cookbook-asciidoc.txt 2011-04-15 15:31:59 UTC (rev 4377) @@ -8,23 +8,62 @@ Overview -------- -Swift cookbook overview. Goals of this cookbook. Organization of this cookbook. Benefits of cookbook. +Swift cookbook overview. Goals of this cookbook. Organization of this +cookbook. Benefits of cookbook. -This cookbook covers various recipes involving running Swift under diverse configurations based on the application requirements and underlying infrastructures. The SwiftScript language and the Swift runtim system. For introductory material, consult the Swift tutorial. +This cookbook covers various recipes involving running Swift under diverse +configurations based on the application requirements and underlying +infrastructures. The SwiftScript language and the Swift runtim system. For +introductory material, consult the Swift tutorial. -Swift is a data-oriented coarse grained scripting language that supports dataset typing and mapping, dataset iteration, conditional branching, and procedural composition. +Swift is a data-oriented coarse grained scripting language that supports +dataset typing and mapping, dataset iteration, conditional branching, and +procedural composition. Swift programs (or workflows) are written in a language called SwiftScript. -SwiftScript programs are dataflow oriented - they are primarily concerned with processing (possibly large) collections of data files, by invoking programs to do that processing. Swift handles execution of such programs on remote sites by choosing sites, handling the staging of input and output files to and from the chosen sites and remote execution of program code. +SwiftScript programs are dataflow oriented - they are primarily concerned with +processing (possibly large) collections of data files, by invoking programs to +do that processing. Swift handles execution of such programs on remote sites +by choosing sites, handling the staging of input and output files to and from +the chosen sites and remote execution of program code. Swift Basics ------------ Installation ~~~~~~~~~~~~ + Installation instructions +prerequisites +^^^^^^^^^^^^^^ +Check your Java +Swift is a Java application. Make sure you're running Java 5 or higher. You +can make sure you have Java in your $HOME/.soft file and the softenv system +(http://www.ci.uchicago.edu/wiki/bin/view/Resources/Softenv) will set it up +for you. To run Java 6: + +---- +$ grep java $HOME/.soft +#+java-sun # Gives you Java 5 ++java-1.6.0_03-sun-r1 +$ which java +/soft/java-1.6.0_11-sun-r1/bin/java +$ java -version +java version "1.6.0_11" +Java(TM) SE Runtime Environment (build 1.6.0_11-b03) +Java HotSpot(TM) 64-Bit Server VM (build 11.0-b16, mixed mode) +---- +Setting up to run Swift +This is simple. We'll be using a version of the Swift stable SVN branch, +compiled for this class. Make sure you have a suitable Java set up. The examples were tested with +Java version 1.6 Make sure you don't already have Swift in your PATH. If you do, remove it, +or remove any +swift or @swift lines from your $HOME/.soft file. Then do: PATH=$PATH:/home/wilde/bigdata/swift/bin + Do NOT set SWIFT_HOME or CLASSPATH in your environment unless you fully +understand how these will affect Swift's execution + + Environment Setup ~~~~~~~~~~~~~~~~~ @@ -33,6 +72,16 @@ The environment will be different when using Swift from prebuilt distribution and trunk. + To execute your Swift script on the login host ("localhost") use this +command: + + swift -tc.file tc modis.swift + + To execute your Swift script on the PADS cluster use this command: + + swift -tc.file tc -sites.file pbs.xml modis.swift + + Setting transformation catalog ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ @@ -42,11 +91,157 @@ ^^^^^^^^^^^^^^^^^^^^^^^^^^^^ cf +Mappers +^^^^^^^^ +SimpleMapper + +---- +com$ cat swiftapply.swift +type RFile; +trace("hi 1"); +app (RFile result) RunR (RFile rcall) +{ + RunR @rcall @result; +} +trace("hi 2"); +RFile rcalls[] ; +RFile results[] ; +trace("start"); +foreach c, i in rcalls { + trace("c",i, at c); + trace("r",i, at filename(results[i])); + results[i] = RunR(c); +} +com$ ls calldir resdir +calldir: +rcall.1.Rdata rcall.2.Rdata rcall.3.Rdata rcall.4.Rdata +resdir: +result.1.Rdata result.2.Rdata result.3.Rdata result.4.Rdata +com$ +---- + +Notes: + +how the .'s match +prefix and suffix dont span dirs +intervening pattern must be digits +these digits become the array indices +explain how padding= arg works & helps (including padding=0) +figure out and explain differences between simple_mapper and +filesys_mapper +FIXME: Use the "filesys_mapper" and its "location=" parameter to map the +input data from /home/wilde/bigdata/* + +Abbreviations for SingleFileMapper +Notes: + +within <> you can only have a literal string as in <"filename">, not an +expression. Someday we will fix this to make <> accept a general expression. +you can use @filenames( ) (note: plural) to pull off a list of filenames. + +writeData() + +example here +---- +$ cat writedata.swift +type file; +file f <"filea">; +file nf <"filenames">; +nf = writeData(@f); +$ swift writedata.swift +Swift svn swift-r3264 (swift modified locally) cog-r2730 (cog modified +locally) +RunID: 20100319-2002-s9vpo0pe +Progress: +Final status: +$ cat filenames +filea$ +$ +---- + +StructuredRegexpMapper +IN PROGRESS This mapper can be used to base the mapped filenames of an output +array on the mapped filenames of an existing array. landuse outputfiles[] +; + +Use the undocumented "structured_regexp_mapper" to name the output +filenames based on the input filenames: + +For example: + +---- +login2$ ls /home/wilde/bigdata/data/sample +h11v04.histogram h11v05.histogram h12v04.histogram h32v08.histogram +h11v04.tif h11v05.tif h12v04.tif h32v08.tif +login2$ + +login2$ cat regexp2.swift +type tif; +type mytype; + +tif images[]; + +mytype of[] ; + +foreach image, i in images { + trace(i, at filename(images)); + trace(i, at filename(of[i])); +} +login2$ + +login1$ swift regexp2.swift +Swift svn swift-r3255 (swift modified locally) cog-r2723 (cog modified +locally) + +RunID: 20100310-1105-4okarq08 +Progress: +SwiftScript trace: 1, output/myfile.h11v04.mytype +SwiftScript trace: 2, home/wilde/bigdata/data/sample/h11v05.tif +SwiftScript trace: 3, home/wilde/bigdata/data/sample/h12v04.tif +SwiftScript trace: 0, output/myfile.h32v08.mytype +SwiftScript trace: 0, home/wilde/bigdata/data/sample/h32v08.tif +SwiftScript trace: 3, output/myfile.h12v04.mytype +SwiftScript trace: 1, home/wilde/bigdata/data/sample/h11v04.tif +SwiftScript trace: 2, output/myfile.h11v05.mytype +Final status: +login1$ +---- + First SwiftScript ~~~~~~~~~~~~~~~~~ Your first SwiftScript Hello Swift-World! +A good sanity check that Swift is set up and running OK locally is this: + +---- +$ which swift + +/home/wilde/swift/src/stable/cog/modules/swift/dist/swift-svn/bin/swift + +$ echo 'trace("Hello, Swift world!");' >hello.swift + +$ swift hello.swift + +Swift svn swift-r3202 cog-r2682 + +RunID: 20100115-1240-6xhzxuz3 + +Progress: + +SwiftScript trace: Hello, Swift world! + +Final status: + +$ +---- +A good first tutorial in using Swift is at: +http://www.ci.uchicago.edu/swift/guides/tutorial.php. Follow the steps in that +tutorial to learn how to run a few simple scripts on the login host. + second SwiftScript ~~~~~~~~~~~~~~~~~~~ Your second SwiftScript @@ -58,6 +253,97 @@ Also includes a description of Swift inputs and outputs. +Resuming a stopped or crashed Swift Run +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + +I had a .rlog file from a Swift run that ran out of time. I kicked it off +using the -resume flag described in section 16.2 of the Swift User Guide and +it picked up where it left off. Then I killed it because I wanted to make +changes to my sites file. + +---- +. . . +Progress: Selecting site:1150 Stage in:55 Active:3 Checking status:1 +Stage out:37 Finished in previous run:2462 Finished successfully:96 +Progress: Selecting site:1150 Stage in:55 Active:2 Checking status:1 +Stage out:38 Finished in previous run:2462 Finished successfully:96 +Cleaning up... +Shutting down service at https://192.5.86.6:54813 +Got channel MetaChannel: 1293358091 -> null ++ Done +Canceling job 9297.svc.pads.ci.uchicago.edu +---- + +No new rlog file was emitted but it did recognize the progress that had been +made, the 96 tasks that finished sucessfully above and resumed from 2558 tasks +finished. + +---- +[nbest at login2 files]$ pwd +/home/nbest/bigdata/files +[nbest at login2 files]$ +~wilde/swift/src/stable/cog/modules/swift/dist/swift-svn/bin/swift \ +> -tc.file tc -sites.file pbs.xml ~/scripts/mcd12q1.swift -resume +> mcd12q1-20100310-1326-ptxe1x1d.0.rlog +Swift svn swift-r3255 (swift modified locally) cog-r2723 (cog modified +locally) +RunID: 20100311-1027-148caf0a +Progress: +Progress: uninitialized:4 +Progress: Selecting site:671 Initializing site shared directory:1 Finished +in previous run:1864 +Progress: uninitialized:1 Selecting site:576 Stage in:96 Finished in +previous run:1864 +Progress: Selecting site:1150 Stage in:94 Submitting:2 Finished in +previous run:2558 +Progress: Selecting site:1150 Stage in:94 Submitted:2 Finished in previous +run:2558 +Progress: Selecting site:1150 Stage in:93 Submitting:1 Submitted:2 +Finished in previous run:2558 +Progress: Selecting site:1150 Stage in:90 Submitting:1 Submitted:5 +Finished in previous run:2558 +Progress: Selecting site:1150 Stage in:90 Submitted:5 Active:1 Finished +in previous run:2558 +---- + + +From Neil: A comment about that section of the user guide: It says "In order +to restart from a restart log file, the -resume logfile argument can be used +after the SwiftScript? program file name." and then puts the -resume logfile +argument before the script file name. I'm sure the order doesn't matter but +the contradiction is confusing. + +Notes to add (from Mike): + +- explain what aspects of a Swift script make it restartable, and which + aspects are notrestartable. Eg, if your mappers can return different data at +different times, what happens? What other non-determinsitc behavior would +cause unpredictable, unexpected, or undesired behavior on resumption? + +- explain what changes you can make in the execution environment (eg + increasing or reducing CPUs to run on or throttles, etc); fixing tc.data +entries, env vars, or apps, etc. + +- note that resume will again retry failed app() calls. Explain if the retry + count starts over or not. + +- explain how to resume after multiple failures and resumes - i.e. if a .rlog + is generated on each run, which one should you resume from? Do you have a +choice of resuming from any of them, and what happens if you go backwards to +an older resume file? + +- whap happens when you kill (eg with ^C) a running swift script? Is the + signal caught, and the resume file written out at that point? Or written out +all along? (Note case in which script ws running for hours, then hit ^C, but +resume fie was short (54 bbytes) and swift shows no sign of doing a resume? +(It silently ignored resume file instead of acknowleging that it found one +with not useful resume state in it???) Swift should clearly state that its +resuming and what its resume state is. + ++swift -resume ftdock-[id].0.rlog \[rest of the exact command line from initial +run\]+ + + Swift on ... ------------ @@ -80,6 +366,10 @@ /lustre/beagle/ketan/labs/catsn.works to your home and follow the instructions in README of that folder. +Note: Running from sandbox node or requesting 1 hour walltime for upto 3 nodes +will get fast prioritized execution. Good for small tests + + Intrepid-BG/P ~~~~~~~~~~~~~ Swift on Intrepid-BG/P @@ -95,13 +385,13 @@ Bionimbus ~~~~~~~~~ Swift on Bionimbus -.VERY IMPORTANT TO READ THIS +.very important to read this -CONTAINS INFORMATION ON HOW TO CONNECT BACK TO GATEWAY FROM VIRTUAL MACHINES -USING REVERSE SSH TUNNELING +contains information on how to connect back to gateway from virtual machines +using reverse ssh tunneling -TO OPEN A REVERSE SSH TUNNEL DO THE FOLLOWING: -.FROM THE GATEWAY PROMPT +to open a reverse ssh tunnel do the following: +.from the gateway prompt +ssh -R *:5000:localhost:5000 root at 10.101.8.50 sleep 999+ @@ -110,7 +400,7 @@ localhost=the gateway host, should remain the same 5000(LEFT OF localhost)=the port number on localhost to listen to **THIS WILL -VARY DEPENDING UPON WHICH PORT YOU WANT TO LISTEN TO +vary depending upon which port you want to listen to 5000(RIGHT OF localhost)=the port on target host that you want to forward @@ -132,18 +422,94 @@ Coasters -------- Describe coasters mechanisms. -Include neat diagrams. +**Include neat diagrams.** +A nice coasters setup case-study: +---- +Your main sites.xml coaster settings were: + +CI-CCR000013 +24:cray:pack +24 +100000 +100 +100 +20 +5 +5 +20.00 +10000 + +Your tc entry (shortened here) was: + +pbs modftdock /.../modftdock.sh null null GLOBUS::maxwalltime="02:00:00" + +And you said you saw in PBS: 13 jobs of 24 hours and 4 jobs of 22 hours. I +suspect this was after the script had been running a while, and many jobs had +been completed. + +Based on your settings, I think you should have had at one time about 17 +coaster block jobs running, because the throttle on your coaster pool was set +to 20 (which would cause Swift to try to run about 2000 apps at once - 2001 to +be precise). Since each job should have requested exactly 5 nodes (based on +your maxnodes=nodegranularity=5 setting above), Swift would have had to run 17 +jobs to accomodate 2000 apps (17 * (5*24) ) = 2040 apps. 24 comes from your +workerspernode setting, which is a poorly-named parameter that we are renaming +to what it really specifies: appsPerNode for concurrent application calls per +node. + +I also suspect that that when this workflow started, coasters was requesting +blocks of time closer to the 100,000 seconds that you specified for maxtime? +(thats ~27 hours). I think the qstat snapshot you provided showed fewer than +17 jobs and job times shorter than 27 hours (24 and 22 hours) because there +was no longer enough apps remaining to run to require those higher values. But +it was still going to try to run all the remaining jobs - probably fewer than +2000 jobs remained when you run the enclosed qstat. In fact the jobs remaining +at the time was likely less than: + +13*5*(24/2) + 4*5*(22/2) = 120*12 + 20*10 signifying <= 1640 jobs remaining + +Since the maxwalltime estimate for your app in tc.data was 2 hours, I think +coasters will pick a wall time that is the min(time needed for jobs remaining, +time needed for max throttle jobs based on maxtime and high/low overallocation +settings). + +A note here to Swift developers: we need to first clarify the behavior of +coasters in detail in the User Guide; then we need to build suitable templates +that *greatly* simplify the settings and end-user parameters, and explain +those simpler settings for use by all but the most sophisticated users with +complex needs. + +We also need to do much more experimentation to see if coasters will run OK +with far less parameter-override specification, and see if its automation and +algorithmic intelligence will do the right thing in almost all cases. + +Most of the time in current use we specify overrides for almost all settings +so that we get a precise shape and number of jobs submitted. Doing that +assumes we know better than coasters and forces the user to understand how to +override all the settings. + +Its a very interesting question, and a hard but critically important one to +answer to make usage simpler. +---- + + For Beginners ~~~~~~~~~~~~~~ Coasters for beginners. Usage of existing, prebuilt templates. For Intermediate Users ~~~~~~~~~~~~~~~~~~~~~~~ -Coasters for intermediate users. Usage of gensites to generate your own sites +Coasters for intermediate users. + +Using gensites +^^^^^^^^^^^^^^^ +Usage of gensites to generate your own sites configurations. + + For Advanced Users ~~~~~~~~~~~~~~~~~~~ Coasters for advanced users. Getting your hands dirty. @@ -171,3 +537,56 @@ Data Management +Debugging Swift +~~~~~~~~~~~~~~~~ +Note: The Swift installation at /home/wilde/bigdata/swift includes a +swift.properties file that has been modified to over-ride the defaults with +the following property values that are useful for script debugging: + +execution.retries=0 + +sitedir.keep=true + +status.mode=provider + +wrapperlog.always.transfer=true + +NOTE: How to clone copies of swift.properties and things to watch for +(like the macros at the start, and unexpected properties in ~/.swift. + +Swift errors are logged in several places: + +. all text from standard output and standard error produced by running the +swift command +. The .log file from this run. It will be named swiftscript.uniqueID.log +where "swiftscript" is the name of your *.swift script source file, and +uniqueID is a long unique id which starts with the date and time you ran the +swift command. +. $HOME/.globus/coasters directory on remote machines on which you are +running coasters +. $HOME/.globus/scripts directory on the host on which you run the Swift +command, when swift is submitting to a local scheduler (Condor, PBS, SGE, +Cobalt) + . $HOME/.globus/??? on remote systems that you access via Globus + +Problem Reporting +~~~~~~~~~~~~~~~~~ +When reporting problems to swift-user at ci.uchicago.edu, please attach the +following files and information: + +tc.data and sites.xml (or whatever you named these files) +your .swift source file and any .swift files it imports +any external mapper scripts called by your .swift script +all text from standard output and standard error produced by running the +swift command +The .log file from this run. It will be named swiftscript.uniqueID.log +where "swiftscript" is the name of your *.swift script source file, and +uniqueID is a long unique id which starts with the date and time you ran the +swift command. +The swift command line you invoked +Any swift.properties entries you over-rode ($HOME/.swift/swift.properties, +-config.file argument properties file, any changes to etc/swift.proerties from +your swift distribution) +Which swift distribution you are running (release; svn revisions; other +local changes you mave have made or included) + From hategan at ci.uchicago.edu Fri Apr 15 17:03:33 2011 From: hategan at ci.uchicago.edu (hategan at ci.uchicago.edu) Date: Fri, 15 Apr 2011 17:03:33 -0500 (CDT) Subject: [Swift-commit] r4378 - branches/release-0.92/src/org/griphyn/vdl/mapping Message-ID: <20110415220333.2B2989CC6B@svn.ci.uchicago.edu> Author: hategan Date: 2011-04-15 17:03:33 -0500 (Fri, 15 Apr 2011) New Revision: 4378 Modified: branches/release-0.92/src/org/griphyn/vdl/mapping/AbstractDataNode.java Log: reduced chance of deadlocks a bit Modified: branches/release-0.92/src/org/griphyn/vdl/mapping/AbstractDataNode.java =================================================================== --- branches/release-0.92/src/org/griphyn/vdl/mapping/AbstractDataNode.java 2011-04-15 15:31:59 UTC (rev 4377) +++ branches/release-0.92/src/org/griphyn/vdl/mapping/AbstractDataNode.java 2011-04-15 22:03:33 UTC (rev 4378) @@ -535,7 +535,7 @@ } } - public synchronized Path getPathFromRoot() { + public Path getPathFromRoot() { if (pathFromRoot == null) { AbstractDataNode parent = (AbstractDataNode) this.getParent(); Path myPath; From ketan at ci.uchicago.edu Fri Apr 15 19:20:59 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Fri, 15 Apr 2011 19:20:59 -0500 (CDT) Subject: [Swift-commit] r4379 - www/cookbook Message-ID: <20110416002059.8C6089CC7F@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-15 19:20:59 -0500 (Fri, 15 Apr 2011) New Revision: 4379 Modified: www/cookbook/cookbook-asciidoc.html www/cookbook/cookbook-asciidoc.txt Log: some refinements Modified: www/cookbook/cookbook-asciidoc.html =================================================================== --- www/cookbook/cookbook-asciidoc.html 2011-04-15 22:03:33 UTC (rev 4378) +++ www/cookbook/cookbook-asciidoc.html 2011-04-16 00:20:59 UTC (rev 4379) @@ -923,8 +923,29 @@

    swift -resume ftdock-[id].0.rlog \[rest of the exact command line from initial run\]

    +
    +

    2.7. Passing an array to swift?

    +
      +
    1. +

      +you can write the array to a file and read in in swift using +readData (or readData2). +

      +
      2. +
    2. +

      +direct the array into a file (possibly with a "here document" which expands the array) and then read the file in Swift with readData() or process it with a Swift app() function? +

      +
      3. +
    3. +

      +you can also use @strsplit on a comma separated command line arg and that works well for me. +

      +
      4. +
    +

    3. Swift on …

    @@ -946,19 +967,7 @@ will get fast prioritized execution. Good for small tests

    -

    3.2. Intrepid-BG/P

    -

    Swift on Intrepid-BG/P

    -
    -
    -

    3.3. PADS

    -

    Swift on PADS

    -
    -
    -

    3.4. OSG

    -

    Swift on OSG

    -
    -
    -

    3.5. Bionimbus

    +

    3.2. Bionimbus

    Swift on Bionimbus .very important to read this

    contains information on how to connect back to gateway from virtual machines @@ -980,23 +989,16 @@

    worker.pl http://localhost:42195 tmp /tmp # where 42195 is the port where the coaster service is listening to the workers

    -
    -

    3.6. Magellan

    -

    Swift on Magellan

    -

    4. Coasters

    -

    Describe coasters mechanisms. -Include neat diagrams.

    -

    A nice coasters setup case-study:

    +

    Describe coasters mechanisms.

    +

    Following is a nice coasters setup case-study where sites.xml coaster settings were:

    -
    Your main sites.xml coaster settings were:
-
-<execution provider="coaster" jobmanager="local:pbs"/>
+
    <execution provider="coaster" jobmanager="local:pbs"/>
 <profile namespace="globus" key="project">CI-CCR000013</profile>
 <profile namespace="globus" key="ppn">24:cray:pack</profile>
 <profile namespace="globus" key="workersPerNode">24</profile>
@@ -1062,65 +1064,12 @@
 answer to make usage simpler.
    -

    4.1. For Beginners

    -

    Coasters for beginners. Usage of existing, prebuilt templates.

    -
    -
    -

    4.2. For Intermediate Users

    -

    Coasters for intermediate users.

    -
    -

    4.2.1. Using gensites

    -

    Usage of gensites to generate your own sites -configurations.

    -
    -
    -
    -

    4.3. For Advanced Users

    -

    Coasters for advanced users. Getting your hands dirty.

    -
    -
    -

    4.4. How to run Swift under different Coasters configurations

    -
    -

    4.4.1. Manual

    -

    Todo

    -
    -
    -

    4.4.2. Passive

    -

    Todo

    -
    -
    -

    4.4.3. Persistent

    -

    Todo

    -
    -
    -
    -

    4.5. Summary of Differences Between different Coaster types

    -

    A tabular representations of highlights of different coaster setups

    -

    Data Management

    -
    -
    -

    4.6. Debugging Swift

    -

    Note: The Swift installation at /home/wilde/bigdata/swift includes a -swift.properties file that has been modified to over-ride the defaults with -the following property values that are useful for script debugging:

    -

    execution.retries=0

    -

    sitedir.keep=true

    -

    status.mode=provider

    -

    wrapperlog.always.transfer=true

    -
    - - - -
    -
    Note
    -    		How to clone copies of swift.properties and things to watch for -(like the macros at the start, and unexpected properties in ~/.swift.
    -
    +

    4.1. Debugging Swift

    Swift errors are logged in several places:

    1. -all text from standard output and standard error produced by running the +All text from standard output and standard error produced by running the swift command

      2. @@ -1153,24 +1102,62 @@
    -

    4.7. Problem Reporting

    +

    4.2. Problem Reporting

    When reporting problems to swift-user at ci.uchicago.edu, please attach the following files and information:

    -

    tc.data and sites.xml (or whatever you named these files) +

      +
    1. +

      +tc.data and sites.xml (or whatever you named these files) +

      +
      2. +
    2. +

      your .swift source file and any .swift files it imports +

      +
      3. +
    3. +

      any external mapper scripts called by your .swift script +

      +
      4. +
    4. +

      all text from standard output and standard error produced by running the swift command +

      +
      5. +
    5. +

      The .log file from this run. It will be named swiftscript.uniqueID.log +

      +
      6. +
    6. +

      where "swiftscript" is the name of your *.swift script source file, and uniqueID is a long unique id which starts with the date and time you ran the swift command. +

      +
      7. +
    7. +

      The swift command line you invoked +

      +
      8. +
    8. +

      Any swift.properties entries you over-rode ($HOME/.swift/swift.properties, -config.file argument properties file, any changes to etc/swift.proerties from your swift distribution) +

      +
      9. +
    9. +

      Which swift distribution you are running (release; svn revisions; other -local changes you mave have made or included)

    +local changes you mave have made or included) +

    + +
    @@ -1179,7 +1166,7 @@ Modified: www/cookbook/cookbook-asciidoc.txt =================================================================== --- www/cookbook/cookbook-asciidoc.txt 2011-04-15 22:03:33 UTC (rev 4378) +++ www/cookbook/cookbook-asciidoc.txt 2011-04-16 00:20:59 UTC (rev 4379) @@ -253,6 +253,7 @@ Also includes a description of Swift inputs and outputs. + Resuming a stopped or crashed Swift Run ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -343,7 +344,14 @@ +swift -resume ftdock-[id].0.rlog \[rest of the exact command line from initial run\]+ +Passing an array to swift? +~~~~~~~~~~~~~~~~~~~~~~~~~~ +. you can write the array to a file and read in in swift using +readData (or readData2). +. direct the array into a file (possibly with a "here document" which expands the array) and then read the file in Swift with readData() or process it with a Swift app() function? +. you can also use @strsplit on a comma separated command line arg and that works well for me. + Swift on ... ------------ @@ -369,19 +377,19 @@ Note: Running from sandbox node or requesting 1 hour walltime for upto 3 nodes will get fast prioritized execution. Good for small tests - -Intrepid-BG/P -~~~~~~~~~~~~~ -Swift on Intrepid-BG/P - -PADS -~~~~ -Swift on PADS - -OSG -~~~ -Swift on OSG - +// +//Intrepid-BG/P +//~~~~~~~~~~~~~ +//Swift on Intrepid-BG/P +// +//PADS +//~~~~ +//Swift on PADS +// +//OSG +//~~~ +//Swift on OSG +// Bionimbus ~~~~~~~~~ Swift on Bionimbus @@ -415,19 +423,17 @@ +worker.pl http://localhost:42195 tmp /tmp # where 42195 is the port where the coaster service is listening to the workers+ -Magellan -~~~~~~~~ -Swift on Magellan - +//Magellan +//~~~~~~~~ +//Swift on Magellan +// Coasters -------- Describe coasters mechanisms. -**Include neat diagrams.** +//**Include neat diagrams.** -A nice coasters setup case-study: +Following is a nice coasters setup case-study where sites.xml coaster settings were: ---- -Your main sites.xml coaster settings were: - CI-CCR000013 24:cray:pack @@ -494,69 +500,55 @@ answer to make usage simpler. ---- +// +//For Beginners +//~~~~~~~~~~~~~~ +//Coasters for beginners. Usage of existing, prebuilt templates. +// +//For Intermediate Users +//~~~~~~~~~~~~~~~~~~~~~~~ +//Coasters for intermediate users. +// +//Using gensites +//^^^^^^^^^^^^^^^ +//Usage of gensites to generate your own sites +//configurations. +// +// +// +//For Advanced Users +//~~~~~~~~~~~~~~~~~~~ +//Coasters for advanced users. Getting your hands dirty. +// +// +//How to run Swift under different Coasters configurations +//~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +// +//Manual +//^^^^^^^ +//Todo +// +//Passive +//^^^^^^^^ +//Todo +// +//Persistent +//^^^^^^^^^^^ +//Todo +// +//Summary of Differences Between different Coaster types +//~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +//A tabular representations of highlights of different coaster setups +// +// +//Data Management +// -For Beginners -~~~~~~~~~~~~~~ -Coasters for beginners. Usage of existing, prebuilt templates. - -For Intermediate Users -~~~~~~~~~~~~~~~~~~~~~~~ -Coasters for intermediate users. - -Using gensites -^^^^^^^^^^^^^^^ -Usage of gensites to generate your own sites -configurations. - - - -For Advanced Users -~~~~~~~~~~~~~~~~~~~ -Coasters for advanced users. Getting your hands dirty. - - -How to run Swift under different Coasters configurations -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - -Manual -^^^^^^^ -Todo - -Passive -^^^^^^^^ -Todo - -Persistent -^^^^^^^^^^^ -Todo - -Summary of Differences Between different Coaster types -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -A tabular representations of highlights of different coaster setups - - -Data Management - Debugging Swift ~~~~~~~~~~~~~~~~ -Note: The Swift installation at /home/wilde/bigdata/swift includes a -swift.properties file that has been modified to over-ride the defaults with -the following property values that are useful for script debugging: - -execution.retries=0 - -sitedir.keep=true - -status.mode=provider - -wrapperlog.always.transfer=true - -NOTE: How to clone copies of swift.properties and things to watch for -(like the macros at the start, and unexpected properties in ~/.swift. - Swift errors are logged in several places: -. all text from standard output and standard error produced by running the +. All text from standard output and standard error produced by running the swift command . The .log file from this run. It will be named swiftscript.uniqueID.log where "swiftscript" is the name of your *.swift script source file, and @@ -567,26 +559,35 @@ . $HOME/.globus/scripts directory on the host on which you run the Swift command, when swift is submitting to a local scheduler (Condor, PBS, SGE, Cobalt) - . $HOME/.globus/??? on remote systems that you access via Globus +. $HOME/.globus/??? on remote systems that you access via Globus Problem Reporting ~~~~~~~~~~~~~~~~~ When reporting problems to swift-user at ci.uchicago.edu, please attach the following files and information: + +. tc.data and sites.xml (or whatever you named these files) -tc.data and sites.xml (or whatever you named these files) -your .swift source file and any .swift files it imports -any external mapper scripts called by your .swift script -all text from standard output and standard error produced by running the +. your .swift source file and any .swift files it imports + +. any external mapper scripts called by your .swift script + +. all text from standard output and standard error produced by running the swift command -The .log file from this run. It will be named swiftscript.uniqueID.log -where "swiftscript" is the name of your *.swift script source file, and + +. The .log file from this run. It will be named swiftscript.uniqueID.log + +. where "swiftscript" is the name of your *.swift script source file, and uniqueID is a long unique id which starts with the date and time you ran the swift command. -The swift command line you invoked -Any swift.properties entries you over-rode ($HOME/.swift/swift.properties, + +. The swift command line you invoked + +. Any swift.properties entries you over-rode ($HOME/.swift/swift.properties, -config.file argument properties file, any changes to etc/swift.proerties from your swift distribution) -Which swift distribution you are running (release; svn revisions; other + +. Which swift distribution you are running (release; svn revisions; other local changes you mave have made or included) + From hategan at ci.uchicago.edu Fri Apr 15 20:00:23 2011 From: hategan at ci.uchicago.edu (hategan at ci.uchicago.edu) Date: Fri, 15 Apr 2011 20:00:23 -0500 (CDT) Subject: [Swift-commit] r4380 - trunk/libexec Message-ID: <20110416010023.F06C19CC7F@svn.ci.uchicago.edu> Author: hategan Date: 2011-04-15 20:00:22 -0500 (Fri, 15 Apr 2011) New Revision: 4380 Modified: trunk/libexec/vdl-int-staging.k Log: proper staging out of wrapper logs Modified: trunk/libexec/vdl-int-staging.k =================================================================== --- trunk/libexec/vdl-int-staging.k 2011-04-16 00:20:59 UTC (rev 4379) +++ trunk/libexec/vdl-int-staging.k 2011-04-16 01:00:22 UTC (rev 4380) @@ -11,6 +11,10 @@ global(LOG:ERROR, "error") global(LOG:FATAL, "fatal") +global(WRAPPER_TRANSFER_MODE, + if(vdl:configProperty("wrapperlog.always.transfer") == "true", + STAGING_MODE:IF_PRESENT, STAGING_MODE:ON_ERROR + STAGING_MODE:IF_PRESENT)) + namespace("vdl" export( element(initDDir, [] @@ -142,7 +146,8 @@ appStageins(jobid, stagein, ".", stagingMethod) - stageOut("wrapper.log", "{stagingMethod}://localhost/{ddir}/{jobid}.info") + stageOut("wrapper.log", "{stagingMethod}://localhost/{ddir}/{jobid}.info", + mode = WRAPPER_TRANSFER_MODE) //stageOut("{stdout}", "{stagingMethod}://localhost/{ddir}/{stdout}") //stageOut("{stderr}", "{stagingMethod}://localhost/{ddir}/{stderr}") appStageouts(jobid, stageout, ".", stagingMethod) @@ -166,8 +171,7 @@ "Exception in {tr}:", nl(), maybe("Arguments: {arguments}", nl()), "Host: {rhost}", nl(), - "Directory: {tmpdir}", - "TODO: outs", nl(), + "Directory: {tmpdir}", nl(), "- - -", nl() ) exception From hategan at ci.uchicago.edu Fri Apr 15 20:02:06 2011 From: hategan at ci.uchicago.edu (hategan at ci.uchicago.edu) Date: Fri, 15 Apr 2011 20:02:06 -0500 (CDT) Subject: [Swift-commit] r4381 - trunk/src/org/griphyn/vdl/karajan/lib Message-ID: <20110416010206.8127D9CC7F@svn.ci.uchicago.edu> Author: hategan Date: 2011-04-15 20:02:06 -0500 (Fri, 15 Apr 2011) New Revision: 4381 Modified: trunk/src/org/griphyn/vdl/karajan/lib/SetFieldValue.java Log: double iterations were in trunk, too Modified: trunk/src/org/griphyn/vdl/karajan/lib/SetFieldValue.java =================================================================== --- trunk/src/org/griphyn/vdl/karajan/lib/SetFieldValue.java 2011-04-16 01:00:22 UTC (rev 4380) +++ trunk/src/org/griphyn/vdl/karajan/lib/SetFieldValue.java 2011-04-16 01:02:06 UTC (rev 4381) @@ -42,9 +42,6 @@ if (!value.isClosed()) { throw new FutureNotYetAvailable(addFutureListener(stack, value)); } - if (var.getParent() != null && var.getParent().getType().isArray()) { - markAsAvailable(stack, leaf.getParent(), leaf.getPathFromRoot().getLast()); - } } synchronized (var.getRoot()) { deepCopy(leaf, value, stack); From ketan at ci.uchicago.edu Sat Apr 16 21:47:17 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Sat, 16 Apr 2011 21:47:17 -0500 (CDT) Subject: [Swift-commit] r4382 - in www/cookbook: . figures Message-ID: <20110417024717.EFC539CCB1@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-16 21:47:17 -0500 (Sat, 16 Apr 2011) New Revision: 4382 Added: www/cookbook/figures/ www/cookbook/figures/coaster_setup.png Modified: www/cookbook/cookbook-asciidoc.html www/cookbook/cookbook-asciidoc.txt Log: Modified: www/cookbook/cookbook-asciidoc.html =================================================================== --- www/cookbook/cookbook-asciidoc.html 2011-04-16 01:02:06 UTC (rev 4381) +++ www/cookbook/cookbook-asciidoc.html 2011-04-17 02:47:17 UTC (rev 4382) @@ -967,7 +967,16 @@ will get fast prioritized execution. Good for small tests

    -

    3.2. Bionimbus

    +

    3.2. OSG

    +
    +
    +Coaster setup +
    +
    Figure 1. Coaster setup on OSG
    +
    +
    +
    +

    3.3. Bionimbus

    Swift on Bionimbus .very important to read this

    contains information on how to connect back to gateway from virtual machines @@ -1166,7 +1175,7 @@

    Modified: www/cookbook/cookbook-asciidoc.txt =================================================================== --- www/cookbook/cookbook-asciidoc.txt 2011-04-16 01:02:06 UTC (rev 4381) +++ www/cookbook/cookbook-asciidoc.txt 2011-04-17 02:47:17 UTC (rev 4382) @@ -253,7 +253,26 @@ Also includes a description of Swift inputs and outputs. +What if Swift hangs +~~~~~~~~~~~~~~~~~~~ +Owing to its highly multithreaded architecture it is often the case that the +underlying java virtual machine gets into deadlock situations or Swift hangs +because of other complications in its threaded operations. Under such +situations, Swift _hang-checker_ chips in and resolves the situation. +. how to use the information to identify and correct the deadlock. + +. How close to the Swift source code can we make the hang-checker messages, so that the user can relate it to Swift functions, expressions, and ideally source code lines? + +. The current Hang Checker output is actually *very* nice and useful already: +Registered futures: +Rupture[] rups Closed, 1 elements, 0 listeners +Variation vars - Closed, no listeners +SgtDim sub - Open, 1 listeners +string site Closed, no listeners +Variation[] vars Closed, 72 elements, 0 listeners + + Resuming a stopped or crashed Swift Run ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -344,6 +363,7 @@ +swift -resume ftdock-[id].0.rlog \[rest of the exact command line from initial run\]+ + Passing an array to swift? ~~~~~~~~~~~~~~~~~~~~~~~~~~ . you can write the array to a file and read in in swift using @@ -386,8 +406,10 @@ //~~~~ //Swift on PADS // -//OSG -//~~~ +OSG +~~~ +.Coaster setup on OSG +image::figures/coaster_setup.png[Coaster setup] //Swift on OSG // Bionimbus @@ -516,11 +538,17 @@ // // // -//For Advanced Users -//~~~~~~~~~~~~~~~~~~~ +For Advanced Users or How do I fine tune coasters to target specific execution +environment +~~~~~~~~~~~~~~~~~~~ //Coasters for advanced users. Getting your hands dirty. -// -// + +. One of the main reason that one would initially deviate from coaster defaults +into more complex pool entries is to force jobs to fit into some site-imposed +constraint. For instance a typical submission to the experimental queue requires a user to +request upto 3 nodes for under 1 hour. This setup could be achieved with a +careful tuning of coaters parameters. + //How to run Swift under different Coasters configurations //~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ // Added: www/cookbook/figures/coaster_setup.png =================================================================== (Binary files differ) Property changes on: www/cookbook/figures/coaster_setup.png ___________________________________________________________________ Name: svn:mime-type + application/octet-stream From wozniak at ci.uchicago.edu Mon Apr 18 11:12:34 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 18 Apr 2011 11:12:34 -0500 (CDT) Subject: [Swift-commit] r4383 - trunk/tests/providers/local-pbs-coasters/beagle Message-ID: <20110418161234.952C59D657@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-18 11:12:34 -0500 (Mon, 18 Apr 2011) New Revision: 4383 Added: trunk/tests/providers/local-pbs-coasters/beagle/001-catsn.check.sh trunk/tests/providers/local-pbs-coasters/beagle/001-catsn.setup.sh trunk/tests/providers/local-pbs-coasters/beagle/001-catsn.swift trunk/tests/providers/local-pbs-coasters/beagle/001-catsn.timeout Modified: trunk/tests/providers/local-pbs-coasters/beagle/sites.template.xml trunk/tests/providers/local-pbs-coasters/beagle/tc.template.data Log: Initial beagle test Added: trunk/tests/providers/local-pbs-coasters/beagle/001-catsn.check.sh =================================================================== --- trunk/tests/providers/local-pbs-coasters/beagle/001-catsn.check.sh (rev 0) +++ trunk/tests/providers/local-pbs-coasters/beagle/001-catsn.check.sh 2011-04-18 16:12:34 UTC (rev 4383) @@ -0,0 +1,9 @@ +#!/bin/bash + +# Pseudo-code for now + +# for f in *.out.expected +# do +# assert *.out exists +# assert *.out.expected == *.out +# done Property changes on: trunk/tests/providers/local-pbs-coasters/beagle/001-catsn.check.sh ___________________________________________________________________ Name: svn:executable + * Added: trunk/tests/providers/local-pbs-coasters/beagle/001-catsn.setup.sh =================================================================== --- trunk/tests/providers/local-pbs-coasters/beagle/001-catsn.setup.sh (rev 0) +++ trunk/tests/providers/local-pbs-coasters/beagle/001-catsn.setup.sh 2011-04-18 16:12:34 UTC (rev 4383) @@ -0,0 +1,3 @@ +#!/bin/bash + +cp -v $GROUP/data.txt . || exit 1 Property changes on: trunk/tests/providers/local-pbs-coasters/beagle/001-catsn.setup.sh ___________________________________________________________________ Name: svn:executable + * Added: trunk/tests/providers/local-pbs-coasters/beagle/001-catsn.swift =================================================================== --- trunk/tests/providers/local-pbs-coasters/beagle/001-catsn.swift (rev 0) +++ trunk/tests/providers/local-pbs-coasters/beagle/001-catsn.swift 2011-04-18 16:12:34 UTC (rev 4383) @@ -0,0 +1,15 @@ +type file; + +app (file o) cat (file i) +{ + cat @i stdout=@o; +} + +// string t = "abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789"; +// string char[] = @strsplit(t, ""); + +file out[]; +foreach j in [1:@toint(@arg("n","10"))] { + file data<"data.txt">; + out[j] = cat(data); +} Added: trunk/tests/providers/local-pbs-coasters/beagle/001-catsn.timeout =================================================================== --- trunk/tests/providers/local-pbs-coasters/beagle/001-catsn.timeout (rev 0) +++ trunk/tests/providers/local-pbs-coasters/beagle/001-catsn.timeout 2011-04-18 16:12:34 UTC (rev 4383) @@ -0,0 +1 @@ +180 Modified: trunk/tests/providers/local-pbs-coasters/beagle/sites.template.xml =================================================================== --- trunk/tests/providers/local-pbs-coasters/beagle/sites.template.xml 2011-04-17 02:47:17 UTC (rev 4382) +++ trunk/tests/providers/local-pbs-coasters/beagle/sites.template.xml 2011-04-18 16:12:34 UTC (rev 4383) @@ -4,7 +4,7 @@ - + 1 Modified: trunk/tests/providers/local-pbs-coasters/beagle/tc.template.data =================================================================== --- trunk/tests/providers/local-pbs-coasters/beagle/tc.template.data 2011-04-17 02:47:17 UTC (rev 4382) +++ trunk/tests/providers/local-pbs-coasters/beagle/tc.template.data 2011-04-18 16:12:34 UTC (rev 4383) @@ -1,8 +1,7 @@ -local-pbs-coasters echo /bin/echo INSTALLED INTEL32::LINUX null -local-pbs-coasters cat /bin/cat INSTALLED INTEL32::LINUX null -local-pbs-coasters ls /bin/ls INSTALLED INTEL32::LINUX null -local-pbs-coasters grep /bin/grep INSTALLED INTEL32::LINUX null -local-pbs-coasters sort /bin/sort INSTALLED INTEL32::LINUX null -local-pbs-coasters paste /bin/paste INSTALLED INTEL32::LINUX null -local-pbs-coasters wc /usr/bin/wc INSTALLED INTEL32::LINUX null - +beagle-pbs echo /bin/echo INSTALLED INTEL32::LINUX +beagle-pbs cat /bin/cat INSTALLED INTEL32::LINUX +beagle-pbs ls /bin/ls INSTALLED INTEL32::LINUX +beagle-pbs grep /bin/grep INSTALLED INTEL32::LINUX +beagle-pbs sort /bin/sort INSTALLED INTEL32::LINUX +beagle-pbs paste /bin/paste INSTALLED INTEL32::LINUX +beagle-pbs wc /usr/bin/wc INSTALLED INTEL32::LINUX From wozniak at ci.uchicago.edu Mon Apr 18 11:12:53 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 18 Apr 2011 11:12:53 -0500 (CDT) Subject: [Swift-commit] r4384 - trunk/tests/providers/local-pbs-coasters/beagle Message-ID: <20110418161253.9C8C79D657@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-18 11:12:53 -0500 (Mon, 18 Apr 2011) New Revision: 4384 Added: trunk/tests/providers/local-pbs-coasters/beagle/data.txt Log: Test data file Added: trunk/tests/providers/local-pbs-coasters/beagle/data.txt =================================================================== --- trunk/tests/providers/local-pbs-coasters/beagle/data.txt (rev 0) +++ trunk/tests/providers/local-pbs-coasters/beagle/data.txt 2011-04-18 16:12:53 UTC (rev 4384) @@ -0,0 +1 @@ +HELLO From wozniak at ci.uchicago.edu Mon Apr 18 11:20:07 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 18 Apr 2011 11:20:07 -0500 (CDT) Subject: [Swift-commit] r4385 - trunk/tests/providers/local-pbs-coasters/beagle Message-ID: <20110418162007.76F3D9D657@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-18 11:20:07 -0500 (Mon, 18 Apr 2011) New Revision: 4385 Modified: trunk/tests/providers/local-pbs-coasters/beagle/001-catsn.check.sh Log: Pseudo-code: avoid use of *expected files Modified: trunk/tests/providers/local-pbs-coasters/beagle/001-catsn.check.sh =================================================================== --- trunk/tests/providers/local-pbs-coasters/beagle/001-catsn.check.sh 2011-04-18 16:12:53 UTC (rev 4384) +++ trunk/tests/providers/local-pbs-coasters/beagle/001-catsn.check.sh 2011-04-18 16:20:07 UTC (rev 4385) @@ -2,8 +2,8 @@ # Pseudo-code for now -# for f in *.out.expected +# for f in *.out.expected # do -# assert *.out exists -# assert *.out.expected == *.out +# assert *.out exists +# assert *.out == data.txt # done From tga at ci.uchicago.edu Mon Apr 18 12:57:45 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Mon, 18 Apr 2011 12:57:45 -0500 (CDT) Subject: [Swift-commit] r4386 - SwiftApps/SwiftR/Swift/man Message-ID: <20110418175745.08CF39CC6B@svn.ci.uchicago.edu> Author: tga Date: 2011-04-18 12:57:44 -0500 (Mon, 18 Apr 2011) New Revision: 4386 Modified: SwiftApps/SwiftR/Swift/man/swiftapply.Rd Log: Fixed missing docs for swiftLapply/swiftSapply. Modified: SwiftApps/SwiftR/Swift/man/swiftapply.Rd =================================================================== --- SwiftApps/SwiftR/Swift/man/swiftapply.Rd 2011-04-18 16:20:07 UTC (rev 4385) +++ SwiftApps/SwiftR/Swift/man/swiftapply.Rd 2011-04-18 17:57:44 UTC (rev 4386) @@ -24,6 +24,8 @@ swiftapply(func, arglists, server = NULL, callsperbatch = NULL, runmode = NULL, initialexpr = NULL, workerhosts = NULL, keepwork = NULL, tmpdir = NULL, timeout = NULL, quiet = FALSE) swiftLapply(tlist, func, ...) + +swiftSapply(tlist, func, ...) } \arguments{ The first two arguments are required for all variations of the @@ -37,13 +39,22 @@ swiftLapply and other variations also respect arguments set through the R options mechanism. - \item{func}{ The function to apply. } \item{arglists}{ A list of argument lists to be given to the function. } + \item{tlists}{ + For swiftLapply and swiftSapply, a list which contains the first + argument for each function invocation. +} + \item{...}{ + For swiftLapply and swiftSapply, the second, third, etc arguments + for each function invocation. For example, + \verb{swiftLapply(list(1,2), f, "x", 20)} results in the function + invocations \verb{f(1, "x", 20)} and \verb{f(2, "x", 20)}. +} \item{server}{ The swift server type to use to run. The possible values are "local", "ssh", "pbs", "sge" and "pbsf", the same as swiftInit. From wozniak at ci.uchicago.edu Mon Apr 18 16:13:58 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 18 Apr 2011 16:13:58 -0500 (CDT) Subject: [Swift-commit] r4387 - trunk/tests/providers/local-pbs-coasters/beagle Message-ID: <20110418211358.509289D657@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-18 16:13:58 -0500 (Mon, 18 Apr 2011) New Revision: 4387 Modified: trunk/tests/providers/local-pbs-coasters/beagle/sites.template.xml Log: Fixes to beagle test Modified: trunk/tests/providers/local-pbs-coasters/beagle/sites.template.xml =================================================================== --- trunk/tests/providers/local-pbs-coasters/beagle/sites.template.xml 2011-04-18 17:57:44 UTC (rev 4386) +++ trunk/tests/providers/local-pbs-coasters/beagle/sites.template.xml 2011-04-18 21:13:58 UTC (rev 4387) @@ -4,14 +4,16 @@ - + 1 7200 - pbs.aprun + + pbs.aprun;pbs.resources=advres=modFTDock.47 - 1 + 24 + 24 1 1 1 @@ -22,3 +24,5 @@ {wdir} + + From skenny at ci.uchicago.edu Wed Apr 20 11:28:35 2011 From: skenny at ci.uchicago.edu (skenny at ci.uchicago.edu) Date: Wed, 20 Apr 2011 11:28:35 -0500 (CDT) Subject: [Swift-commit] r4388 - trunk/bin Message-ID: <20110420162835.62AA89CCBB@svn.ci.uchicago.edu> Author: skenny Date: 2011-04-20 11:28:35 -0500 (Wed, 20 Apr 2011) New Revision: 4388 Modified: trunk/bin/chxml Log: cleanup Modified: trunk/bin/chxml =================================================================== --- trunk/bin/chxml 2011-04-18 21:13:58 UTC (rev 4387) +++ trunk/bin/chxml 2011-04-20 16:28:35 UTC (rev 4388) @@ -36,7 +36,6 @@ if line.strip().startswith('#'): continue if line.find("sites.file")>-1: - print "line is "+line sites_file = line.split("=")[1].strip() i = i+1 if (sites_file == ""): From skenny at ci.uchicago.edu Wed Apr 20 12:52:14 2011 From: skenny at ci.uchicago.edu (skenny at ci.uchicago.edu) Date: Wed, 20 Apr 2011 12:52:14 -0500 (CDT) Subject: [Swift-commit] r4389 - tags/release-0.92.1 Message-ID: <20110420175214.A9A589CCBB@svn.ci.uchicago.edu> Author: skenny Date: 2011-04-20 12:52:14 -0500 (Wed, 20 Apr 2011) New Revision: 4389 Added: tags/release-0.92.1/changelog.txt Log: need one per revision Added: tags/release-0.92.1/changelog.txt =================================================================== --- tags/release-0.92.1/changelog.txt (rev 0) +++ tags/release-0.92.1/changelog.txt 2011-04-20 17:52:14 UTC (rev 4389) @@ -0,0 +1,11 @@ +Changes in Swift Version 0.92.1 + + * fixed duplicate submission bug in foreach + * Added 'wc' to Swift's default tc.data file (which is used by the tutorial examples) + * gensites now lists specific templates + * gensites now uses pbs style directives in swift.properties. user has the ability to use a default value across all templates + * fixed 'timer cancelled' errors during shutdown + * fixed broken job-fitting-in-non-running-block logic + * keeps track of running jobs when doing things based on aggregate sizes + * coaster service no longer shuts down when idle and in local mode + * fixed npe which was artificially failing a job when a block task failed without having ever started due to the pull thread not being initialized From skenny at ci.uchicago.edu Wed Apr 20 13:33:39 2011 From: skenny at ci.uchicago.edu (skenny at ci.uchicago.edu) Date: Wed, 20 Apr 2011 13:33:39 -0500 (CDT) Subject: [Swift-commit] r4390 - trunk/libexec Message-ID: <20110420183339.AB3849CCBB@svn.ci.uchicago.edu> Author: skenny Date: 2011-04-20 13:33:39 -0500 (Wed, 20 Apr 2011) New Revision: 4390 Modified: trunk/libexec/vdl-int.k Log: less cryptic error message Modified: trunk/libexec/vdl-int.k =================================================================== --- trunk/libexec/vdl-int.k 2011-04-20 17:52:14 UTC (rev 4389) +++ trunk/libexec/vdl-int.k 2011-04-20 18:33:39 UTC (rev 4390) @@ -393,7 +393,7 @@ task:transfer(srchost=rhost, srcdir=srcdir, srcfile=recfile, destdir="{VDL:SCRIPTNAME}-{VDL:RUNID}.d/") ( maybe(file:remove(recfile)) - log(LOG:WARN, "Failed to transfer wrapper log from {srcdir} on {rhost}") + log(LOG:WARN, "Failed to write to {srcdir} on {rhost}. Verify that all directories specified in your sites file exist and are writable!") log(LOG:DEBUG, "Exception for wrapper log failure from {srcdir} on {rhost}: ", exception) ) ) From tga at ci.uchicago.edu Wed Apr 20 13:50:02 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Wed, 20 Apr 2011 13:50:02 -0500 (CDT) Subject: [Swift-commit] r4391 - SwiftApps/SwiftR/Swift Message-ID: <20110420185002.9AF269CC6B@svn.ci.uchicago.edu> Author: tga Date: 2011-04-20 13:50:02 -0500 (Wed, 20 Apr 2011) New Revision: 4391 Modified: SwiftApps/SwiftR/Swift/DESCRIPTION Log: Updated version for release. Modified: SwiftApps/SwiftR/Swift/DESCRIPTION =================================================================== --- SwiftApps/SwiftR/Swift/DESCRIPTION 2011-04-20 18:33:39 UTC (rev 4390) +++ SwiftApps/SwiftR/Swift/DESCRIPTION 2011-04-20 18:50:02 UTC (rev 4391) @@ -1,12 +1,12 @@ Package: Swift Type: Package Title: R interface to Swift parallel scripting languaage -Version: 0.2.1 -Date: 2011-04-13 +Version: 0.2.2 +Date: 2011-04-18 Author: Michael Wilde Maintainer: Michael Wilde Description: Routines to invoke R functions on remote resources through Swift. License: Apache License LazyLoad: yes -Packaged: 2011-04-13; Tim Armstrong +Packaged: 2011-04-18; Tim Armstrong From tga at ci.uchicago.edu Wed Apr 20 13:55:38 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Wed, 20 Apr 2011 13:55:38 -0500 (CDT) Subject: [Swift-commit] r4392 - SwiftApps/SwiftR/Swift/exec Message-ID: <20110420185538.48DDA9CC6B@svn.ci.uchicago.edu> Author: tga Date: 2011-04-20 13:55:38 -0500 (Wed, 20 Apr 2011) New Revision: 4392 Modified: SwiftApps/SwiftR/Swift/exec/start-swift Log: Added missing ppn directive for pbs server. Modified: SwiftApps/SwiftR/Swift/exec/start-swift =================================================================== --- SwiftApps/SwiftR/Swift/exec/start-swift 2011-04-20 18:50:02 UTC (rev 4391) +++ SwiftApps/SwiftR/Swift/exec/start-swift 2011-04-20 18:55:38 UTC (rev 4392) @@ -91,7 +91,7 @@ #PBS -S /bin/sh #PBS -N SwiftR-workers #PBS -m n -#PBS -l nodes=$nodes +#PBS -l nodes=$nodes:ppn=$cores #PBS -l walltime=$time #PBS -o $HOME #PBS -e $HOME From tga at ci.uchicago.edu Wed Apr 20 17:13:51 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Wed, 20 Apr 2011 17:13:51 -0500 (CDT) Subject: [Swift-commit] r4393 - in SwiftApps/SwiftR/Swift: . R exec Message-ID: <20110420221351.2AC589CCBB@svn.ci.uchicago.edu> Author: tga Date: 2011-04-20 17:13:51 -0500 (Wed, 20 Apr 2011) New Revision: 4393 Modified: SwiftApps/SwiftR/Swift/DESCRIPTION SwiftApps/SwiftR/Swift/R/Apply.R SwiftApps/SwiftR/Swift/R/Tests.R SwiftApps/SwiftR/Swift/exec/EvalRBatchPersistent.sh SwiftApps/SwiftR/Swift/exec/SwiftRServer.R Log: Fixed bug which occurred when applied function returns NULL. R has rather inconsistent behaviour when inserting NULL values in lists. The new version of the code manages to skirt around the problems. Incremented version. Modified: SwiftApps/SwiftR/Swift/DESCRIPTION =================================================================== --- SwiftApps/SwiftR/Swift/DESCRIPTION 2011-04-20 18:55:38 UTC (rev 4392) +++ SwiftApps/SwiftR/Swift/DESCRIPTION 2011-04-20 22:13:51 UTC (rev 4393) @@ -1,12 +1,12 @@ Package: Swift Type: Package Title: R interface to Swift parallel scripting languaage -Version: 0.2.2 -Date: 2011-04-18 +Version: 0.2.3 +Date: 2011-04-20 Author: Michael Wilde Maintainer: Michael Wilde Description: Routines to invoke R functions on remote resources through Swift. License: Apache License LazyLoad: yes -Packaged: 2011-04-18; Tim Armstrong +Packaged: 2011-04-20; Tim Armstrong Modified: SwiftApps/SwiftR/Swift/R/Apply.R =================================================================== --- SwiftApps/SwiftR/Swift/R/Apply.R 2011-04-20 18:55:38 UTC (rev 4392) +++ SwiftApps/SwiftR/Swift/R/Apply.R 2011-04-20 22:13:51 UTC (rev 4393) @@ -66,9 +66,9 @@ reqdir <- setupRequestDir(tmpdir=tmpdir) if (printTiming) startTime = proc.time()[["elapsed"]] - nbatches <- writeRequestBatches(func, arglists, initialexpr, + batchsizes <- writeRequestBatches(func, arglists, initialexpr, reqdir, callsperbatch) - + nbatches <- length(batchsizes) if (printTiming) { endTime = proc.time()[["elapsed"]] cat(nbatches, "Swift request files written to: ", reqdir, @@ -122,7 +122,7 @@ if (printTiming) startTime = proc.time()[["elapsed"]] # Fetch the batch results - res <- fetchBatchResults(reqdir, nbatches, arglists, keepwork, quiet) + res <- fetchBatchResults(reqdir, batchsizes, arglists, keepwork, quiet) if (printTiming) { endTime = proc.time()[["elapsed"]] cat(paste("Swift results retrieved from disk in", @@ -227,6 +227,8 @@ narglists <- length(arglists) # number of arglists to process batch <- 1 # Next arglist batch number to fill arglist <- 1 # Next arglist number to insert + + batchsizes <- list() while(arglist <= narglists) { arglistsleft <- narglists - arglist + 1 if(arglistsleft >= callsperbatch) { @@ -246,29 +248,37 @@ save(rcall, file=file.path(reqdir, paste("cbatch.",as.character(batch),".Rdata",sep=""))) + batchsizes[[batch]] <- batchsize batch <- batch + 1; } - return (batch - 1) + return (batchsizes) } -fetchBatchResults <- function (reqdir, nbatches, arglists, keepwork, quiet) { +fetchBatchResults <- function (reqdir, batchsizes, arglists, keepwork, quiet) { rno <- 1 - rlist <- list() + rlist <- list() # Big result list + nbatches <- length(batchsizes) for(batch in 1:nbatches) { # The result in the file will be named "result" + # Initialize result variable to reflect result <- NULL load(file.path(reqdir, paste("rbatch.",as.character(batch),".Rdata",sep=""))) - nresults <- length(result) - for(r in 1:nresults) { - rlist[[rno]] <- result[[r]] - if(inherits(result[[r]], "try-error")) { - cat("ERROR in eval: ", result[[r]], "\n"); + +# cat("Batch #", batch, " of ", nbatches, ":\n") +# print(result) + + # Check returned results for errors + for (res in result) { + if(inherits(res, "try-error")) { + cat("ERROR in eval: ", res, "\n"); } - #DB cat("swiftapply: result rno=",rno,":\n") # FIXME: for logging - #DB cat(rlist[[rno]]@output$gradient,"\n") - rno <- rno + 1 } + # Assign to correct result list slice + # error will be thrown here if size of result list is wrong + batchsize <- batchsizes[[batch]] + rlist[rno:(rno + batchsize - 1)] <- result + rno <- rno + batchsize } names(rlist) = names(arglists) if( ! keepwork ) { Modified: SwiftApps/SwiftR/Swift/R/Tests.R =================================================================== --- SwiftApps/SwiftR/Swift/R/Tests.R 2011-04-20 18:55:38 UTC (rev 4392) +++ SwiftApps/SwiftR/Swift/R/Tests.R 2011-04-20 22:13:51 UTC (rev 4393) @@ -69,7 +69,6 @@ } else { cat("\n!!!==> test 1.2.1 failed.\n") cat(sprintf(" %d result elements failed to match.\n",diffs)); - failures=failures+1 return (FALSE) } } @@ -104,7 +103,6 @@ } else { cat("\n!!!==> test 1.2.2 failed.\n") cat(sprintf(" %d result elements failed to match.\n",diffs)); - failures=failures+1 return (FALSE) } } @@ -139,13 +137,43 @@ } else { cat("\n!!!==> test 1.2.3 failed.\n") cat(sprintf(" %d result elements failed to match.\n",diffs)); - failures=failures+1 return (FALSE) } } +swiftTest_1.2.5 <- function () { + # Test null corner case + f <- function (x) {NULL} + inl <- list(1,2) + localres = lapply(inl, f) + cat("Local result:\n") + print(localres) + + swiftres = swiftLapply(inl,f) + cat("Swift result:\n") + print(swiftres) + + diffs <- 0 + for(i in 1:length(swiftres) ) { + if( !identical(swiftres[[i]],localres[[i]]) ) { + diffs <- diffs + 1 + if( diffs < 10 ) cat(sprintf("res[%d]=%s\n",i, format( swiftres[[i]] ))) + } + } + if(diffs == 0) { + cat("\n==> test 1.2.5 passed\n") + return (TRUE) + } else { + cat("\n!!!==> test 1.2.5 failed.\n") + cat(sprintf(" %d result elements failed to match.\n",diffs)); + return (FALSE) + } + +} + + swiftTest_1.2.4 <- function () { sumstuff <- function(treedata,cardata) { sum( treedata$Height, cardata$dist ) } @@ -177,7 +205,6 @@ } else { cat("\n!!!==> test 1.2.4 failed.\n") cat(sprintf(" %d result elements failed to match.\n",diffs)); - failures=failures+1 return (FALSE) } } @@ -379,7 +406,6 @@ } else { cat("\n!!!==> test 2.1 failed.\n") cat(sprintf(" %d result elements failed to match.\n",diffs)); - failures=failures+1 return (FALSE) } } @@ -418,7 +444,6 @@ } else { cat("\n!!!==> test 2.2 failed.\n") cat(sprintf(" %d result elements failed to match.\n",diffs)); - failures=failures+1 return (FALSE) } } @@ -472,7 +497,6 @@ } else { cat("\n!!!==> test 3.1 failed.\n") cat(sprintf(" %d result elements failed to match.\n",diffs)); - failures=failures+1 return (FALSE) } } @@ -502,7 +526,6 @@ } else { cat("\n!!!==> test 3.2 failed.\n") cat(sprintf(" %d result elements failed to match.\n",diffs)); - failures=failures+1 return (FALSE) } @@ -582,7 +605,6 @@ } else { cat("\n!!!==> test 5.1 failed.\n") cat(sprintf(" %d result elements failed to match.\n",diffs)); - failures=failures+1 return (FALSE) } } @@ -789,7 +811,7 @@ name="1.2 Basic Test - Adding data sets", tests = list(mkTest(swiftTest_1.2.1), mkTest(swiftTest_1.2.2), mkTest(swiftTest_1.2.3), - mkTest(swiftTest_1.2.4))) + mkTest(swiftTest_1.2.4), mkTest(swiftTest_1.2.5))) testGroup1.3 <- makeTestGroup( name="1.3 - Export functionality", Modified: SwiftApps/SwiftR/Swift/exec/EvalRBatchPersistent.sh =================================================================== --- SwiftApps/SwiftR/Swift/exec/EvalRBatchPersistent.sh 2011-04-20 18:55:38 UTC (rev 4392) +++ SwiftApps/SwiftR/Swift/exec/EvalRBatchPersistent.sh 2011-04-20 22:13:51 UTC (rev 4393) @@ -130,6 +130,7 @@ echo LD_LIBRARYPATH= $LD_LIBRARY_PATH PATH=.:$PATH echo PATH= $PATH + echo R_LIBS_USER= $R_LIBS_USER # Use R instead of Rscript due to Rscript issues on some # platforms (e.g. cray xt) R --slave --no-restore --file=$RServerScript \ Modified: SwiftApps/SwiftR/Swift/exec/SwiftRServer.R =================================================================== --- SwiftApps/SwiftR/Swift/exec/SwiftRServer.R 2011-04-20 18:55:38 UTC (rev 4392) +++ SwiftApps/SwiftR/Swift/exec/SwiftRServer.R 2011-04-20 22:13:51 UTC (rev 4393) @@ -11,6 +11,8 @@ print("SwiftRServer arguments:") print(argv) + print(".libPaths:") + print(.libPaths()) fifoDir = argv[1]; # FIXME: test for valid arguments @@ -110,13 +112,12 @@ } cat("DB: Doing apply\n", file=stderr()) - result <- list() - for(c in 1:length(rcall$arglistbatch)) { - # FIXME: run this under try/catch and save error status - # in results object (need to make it a list: rval + error status) - result[[c]] = try(do.call( rcall$func, - as.list(rcall$arglistbatch[[c]] ))) - } + #Using lapply here will ensure that NULLs are handled + # correctly + result <- lapply(rcall$arglistbatch, + function (arglist) { + try(do.call(rcall$func, as.list(arglist))) + }) cat("DB: Saving Results\n", file=stderr()) save(result,file=resultBatchFileName) cat("DB: Results saved\n", file=stderr()) From wozniak at ci.uchicago.edu Thu Apr 21 11:19:57 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Thu, 21 Apr 2011 11:19:57 -0500 (CDT) Subject: [Swift-commit] r4394 - trunk/tests/mpi Message-ID: <20110421161957.AB7EF9CC92@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-21 11:19:57 -0500 (Thu, 21 Apr 2011) New Revision: 4394 Modified: trunk/tests/mpi/100-mpi-cp.c Log: Minor improvements to MPI test case Modified: trunk/tests/mpi/100-mpi-cp.c =================================================================== --- trunk/tests/mpi/100-mpi-cp.c 2011-04-20 22:13:51 UTC (rev 4393) +++ trunk/tests/mpi/100-mpi-cp.c 2011-04-21 16:19:57 UTC (rev 4394) @@ -19,6 +19,7 @@ #define max(a, b) (((a) > (b)) ? (a) : (b)) #define min(a, b) (((a) < (b)) ? (a) : (b)) +void print_help(void); void read_input(const char *restrict filename, char** data, int* size); void write_output(const char *restrict filename, char* data, int size); void startup(void); @@ -43,7 +44,11 @@ char* data; int size; - assert(argc == 3); + if (argc != 3) + { + print_help(); + return 1; + } if (mpi_rank == 0) { @@ -69,6 +74,7 @@ write_output(argv[2], data, size); } + free(data); MPI_Finalize(); return EXIT_SUCCESS; @@ -84,6 +90,9 @@ fflush(NULL); } +/** + Allocates memory for *data +*/ void read_input(const char* restrict filename, char** data, int* size) { char* result; @@ -139,3 +148,8 @@ fclose(file); } + +void print_help() +{ + printf("usage: \n"); +} From wozniak at ci.uchicago.edu Thu Apr 21 11:20:40 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Thu, 21 Apr 2011 11:20:40 -0500 (CDT) Subject: [Swift-commit] r4395 - trunk/tests Message-ID: <20110421162040.895469CC92@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-21 11:20:40 -0500 (Thu, 21 Apr 2011) New Revision: 4395 Modified: trunk/tests/suite.sh Log: Sketch of convenience single GROUP testing Modified: trunk/tests/suite.sh =================================================================== --- trunk/tests/suite.sh 2011-04-21 16:19:57 UTC (rev 4394) +++ trunk/tests/suite.sh 2011-04-21 16:20:40 UTC (rev 4395) @@ -6,7 +6,7 @@ # subdirectory called run-DATE, and generate useful HTML output and # tests.log -# Usage: suite.sh * +# Usage: suite.sh * # PRIMARY USAGE MODE # Assuming your code is in /tmp/cog, where you @@ -50,11 +50,14 @@ # template files are lightly processed by sed before use # Missing files will be pulled from swift/etc -# The GROUPLIST is obtained from an external script in the -# groups/ subdirectory by the name of GROUPLISTFILE. -# The GROUPLISTFILE: -# 1) sets the array -# 2) checks any variables needed by make_sites_sed() +# The GROUPLIST is obtained from the GROUPARG +# 1) The GROUPARG can be an external script in the +# groups/ subdirectory by the name of GROUPLISTFILE. +# The GROUPLISTFILE: +# 1) sets the array +# 2) checks any variables needed by make_sites_sed() +# 2) Or, the GROUPARG can just be a directory name that is +# the name of the singleton GROUP # OUTPUT is the stdout of the current test # stdout.txt retains stdout from the previous test (for *.clean.sh) @@ -168,7 +171,7 @@ VERBOSE=1 shift;; *) - GROUPLISTFILE=$1 + GROUPARG=$1 shift;; esac done @@ -942,9 +945,17 @@ WORK=$TOPDIR/work fi -checkvars GROUPLISTFILE -echo "GROUPLISTFILE: $GROUPLISTFILE" -source $GROUPLISTFILE || exit 1 +checkvars GROUPARG +echo "GROUP ARGUMENT: $GROUPARG" +if [[ -f $GROUPARG ]]; then + GROUPLISTFILE=$GROUPARG + source $GROUPLISTFILE || exit 1 +elif [[ -d $GROUPARG + GROUPLIST=( $GROUPARG ) +else + echo "Unusable GROUP argument: $GROUPARG" + exit 1 +fi cd $TOPDIR [ $? != 0 ] && crash "Could not use given TOPDIR: $TOPDIR" From tga at ci.uchicago.edu Thu Apr 21 11:59:04 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Thu, 21 Apr 2011 11:59:04 -0500 (CDT) Subject: [Swift-commit] r4396 - SwiftApps/SwiftR Message-ID: <20110421165904.CC09D9CCBB@svn.ci.uchicago.edu> Author: tga Date: 2011-04-21 11:59:04 -0500 (Thu, 21 Apr 2011) New Revision: 4396 Modified: SwiftApps/SwiftR/IMMEDIATE-TODO Log: Updated list of tasks. Modified: SwiftApps/SwiftR/IMMEDIATE-TODO =================================================================== --- SwiftApps/SwiftR/IMMEDIATE-TODO 2011-04-21 16:20:40 UTC (rev 4395) +++ SwiftApps/SwiftR/IMMEDIATE-TODO 2011-04-21 16:59:04 UTC (rev 4396) @@ -36,6 +36,8 @@ HIGH: -- Feedback from queue +HIGH: +-- better ctrl-c support HIGH: -- Test on Mac @@ -45,6 +47,11 @@ -- Instructions + survey MED: + -- Plyr support + -- foreach support + -- raster support + +MED: -- OpenMx specific instructions. HIGH: From wozniak at ci.uchicago.edu Thu Apr 21 12:35:32 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Thu, 21 Apr 2011 12:35:32 -0500 (CDT) Subject: [Swift-commit] r4397 - in test: . beagle-tests Message-ID: <20110421173532.7CBF09CCBB@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-21 12:35:32 -0500 (Thu, 21 Apr 2011) New Revision: 4397 Added: test/beagle-tests/ test/beagle-tests/README.txt test/beagle-tests/pbs-test.sh test/beagle-tests/spin.sh test/beagle-tests/test-01-01-24.submit Log: Beagle test shell scripts Added: test/beagle-tests/README.txt =================================================================== --- test/beagle-tests/README.txt (rev 0) +++ test/beagle-tests/README.txt 2011-04-21 17:35:32 UTC (rev 4397) @@ -0,0 +1,8 @@ + +Simple tests to verify the number of +cores given on the Beagle PBS system. + +You can run sleep or spin as the user job. +spin.sh is good to verify that you are +actually getting the full performance of all +of the requested cores. Added: test/beagle-tests/pbs-test.sh =================================================================== --- test/beagle-tests/pbs-test.sh (rev 0) +++ test/beagle-tests/pbs-test.sh 2011-04-21 17:35:32 UTC (rev 4397) @@ -0,0 +1,33 @@ +#!/bin/sh + +JOBS=$1 +DURATION=$2 + +echo $JOBS $DURATION + +SPIN=/home/wozniak/pbs-tests/spin.sh + +job() +{ + ID=$1 + + START=$( date +%s ) + + HOST=$( hostname ) + # sleep ${DURATION} + ${SPIN} ${DURATION} + + STOP=$( date +%s ) + + echo "${ID}: ${HOST} ${START} ${STOP}" +} + +for (( i=0 ; i<$JOBS ; i++ )) +do + echo fork + job ${i} & +done + +wait + +exit 0 Property changes on: test/beagle-tests/pbs-test.sh ___________________________________________________________________ Name: svn:executable + * Added: test/beagle-tests/spin.sh =================================================================== --- test/beagle-tests/spin.sh (rev 0) +++ test/beagle-tests/spin.sh 2011-04-21 17:35:32 UTC (rev 4397) @@ -0,0 +1,18 @@ +#!/bin/sh + +# On the Beagle compute node: 1 MLOOP = 22 sec + +MLOOPS=$1 + +M=$(( 1024*1024 )) +X=0 +for (( j=0 ; j<${M} ; j++ )) +do + for (( i=0 ; i<${MLOOPS} ; i++ )) + do + (( X++ )) + (( X = X % 4000 )) + done +done + +exit 0 Property changes on: test/beagle-tests/spin.sh ___________________________________________________________________ Name: svn:executable + * Added: test/beagle-tests/test-01-01-24.submit =================================================================== --- test/beagle-tests/test-01-01-24.submit (rev 0) +++ test/beagle-tests/test-01-01-24.submit 2011-04-21 17:35:32 UTC (rev 4397) @@ -0,0 +1,14 @@ + +#PBS -S /bin/bash +#PBS -N Justin +#PBS -m n +#PBS -A CI-MCB000021 +#PBS -l mppwidth=1,mppnppn=1,mppdepth=24 +#PBS -l walltime=00:11:00 +#PBS -q batch +WORKER_LOGGING_LEVEL=NONE +#PBS -v WORKER_LOGGING_LEVEL +# # #PBS -l advres=modFTDock.47 + +aprun -n 1 -N 1 -cc none -d 24 -F exclusive \ + ${HOME}/pbs-tests/pbs-test.sh 1 1 From wozniak at ci.uchicago.edu Thu Apr 21 13:12:17 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Thu, 21 Apr 2011 13:12:17 -0500 (CDT) Subject: [Swift-commit] r4398 - trunk/tests/providers/local-pbs-coasters/beagle Message-ID: <20110421181217.E71C19CC92@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-21 13:12:17 -0500 (Thu, 21 Apr 2011) New Revision: 4398 Modified: trunk/tests/providers/local-pbs-coasters/beagle/sites.template.xml Log: Updated Beagle sites test case Modified: trunk/tests/providers/local-pbs-coasters/beagle/sites.template.xml =================================================================== --- trunk/tests/providers/local-pbs-coasters/beagle/sites.template.xml 2011-04-21 17:35:32 UTC (rev 4397) +++ trunk/tests/providers/local-pbs-coasters/beagle/sites.template.xml 2011-04-21 18:12:17 UTC (rev 4398) @@ -9,11 +9,11 @@ 1 7200 + - pbs.aprun;pbs.resources=advres=modFTDock.47 + pbs.aprun;pbs.mpp;depth=24;pbs.resources=advres=modFTDock.47 24 - 24 1 1 1 From davidk at ci.uchicago.edu Fri Apr 22 01:51:03 2011 From: davidk at ci.uchicago.edu (davidk at ci.uchicago.edu) Date: Fri, 22 Apr 2011 01:51:03 -0500 (CDT) Subject: [Swift-commit] r4399 - branches/release-0.92/docs Message-ID: <20110422065103.7D0EF9CC6B@svn.ci.uchicago.edu> Author: davidk Date: 2011-04-22 01:50:52 -0500 (Fri, 22 Apr 2011) New Revision: 4399 Modified: branches/release-0.92/docs/tutorial.xml Log: Made a few corrections in the tutorial Modified: branches/release-0.92/docs/tutorial.xml =================================================================== --- branches/release-0.92/docs/tutorial.xml 2011-04-21 18:12:17 UTC (rev 4398) +++ branches/release-0.92/docs/tutorial.xml 2011-04-22 06:50:52 UTC (rev 4399) @@ -708,6 +708,7 @@ $ dot -ograph.png -Tpng graph.dot graph.png can then be viewed using your favourite image viewer. +Dot is a utility for drawing directed graphs. It is a part of the graphViz package and must be installed separately. More information about graphViz can be found at http://www.graphviz.org. @@ -828,7 +829,7 @@ type file; -file f <my_first_mapper;>; +file f <my_first_mapper>; @@ -922,7 +923,7 @@ } } -messagefile outfile <my_first_mapper;>; +messagefile outfile <my_first_mapper>; outfile = greeting(); From davidk at ci.uchicago.edu Fri Apr 22 02:00:32 2011 From: davidk at ci.uchicago.edu (davidk at ci.uchicago.edu) Date: Fri, 22 Apr 2011 02:00:32 -0500 (CDT) Subject: [Swift-commit] r4400 - tags/release-0.92.1/docs Message-ID: <20110422070032.F1D0B9CC6B@svn.ci.uchicago.edu> Author: davidk Date: 2011-04-22 02:00:31 -0500 (Fri, 22 Apr 2011) New Revision: 4400 Modified: tags/release-0.92.1/docs/tutorial.xml Log: Made some corrections to the tutorial Modified: tags/release-0.92.1/docs/tutorial.xml =================================================================== --- tags/release-0.92.1/docs/tutorial.xml 2011-04-22 06:50:52 UTC (rev 4399) +++ tags/release-0.92.1/docs/tutorial.xml 2011-04-22 07:00:31 UTC (rev 4400) @@ -708,6 +708,7 @@ $ dot -ograph.png -Tpng graph.dot graph.png can then be viewed using your favourite image viewer. +Dot is a utility for drawing directed graphs. It is a part of the graphViz package and must be installed separately. More information about graphViz can be found at http://www.graphviz.org. @@ -828,7 +829,7 @@ type file; -file f <my_first_mapper;>; +file f <my_first_mapper>; @@ -922,7 +923,7 @@ } } -messagefile outfile <my_first_mapper;>; +messagefile outfile <my_first_mapper>; outfile = greeting(); From davidk at ci.uchicago.edu Fri Apr 22 02:05:03 2011 From: davidk at ci.uchicago.edu (davidk at ci.uchicago.edu) Date: Fri, 22 Apr 2011 02:05:03 -0500 (CDT) Subject: [Swift-commit] r4401 - trunk/docs Message-ID: <20110422070503.4E2519CC6B@svn.ci.uchicago.edu> Author: davidk Date: 2011-04-22 02:05:03 -0500 (Fri, 22 Apr 2011) New Revision: 4401 Modified: trunk/docs/tutorial.xml Log: Tutorial corrections Modified: trunk/docs/tutorial.xml =================================================================== --- trunk/docs/tutorial.xml 2011-04-22 07:00:31 UTC (rev 4400) +++ trunk/docs/tutorial.xml 2011-04-22 07:05:03 UTC (rev 4401) @@ -708,6 +708,7 @@ $ dot -ograph.png -Tpng graph.dot graph.png can then be viewed using your favourite image viewer. +Dot is a utility for drawing directed graphs. It is a part of the graphViz package and must be installed separately. More information about graphViz can be found at http://www.graphviz.org. @@ -828,7 +829,7 @@ type file; -file f <my_first_mapper;>; +file f <my_first_mapper>; @@ -922,7 +923,7 @@ } } -messagefile outfile <my_first_mapper;>; +messagefile outfile <my_first_mapper>; outfile = greeting(); From tga at ci.uchicago.edu Fri Apr 22 16:47:01 2011 From: tga at ci.uchicago.edu (tga at ci.uchicago.edu) Date: Fri, 22 Apr 2011 16:47:01 -0500 (CDT) Subject: [Swift-commit] r4402 - SwiftApps/SwiftR Message-ID: <20110422214701.C0A429CC92@svn.ci.uchicago.edu> Author: tga Date: 2011-04-22 16:47:01 -0500 (Fri, 22 Apr 2011) New Revision: 4402 Modified: SwiftApps/SwiftR/IMMEDIATE-TODO Log: Ideas from phone conversation with mw. Modified: SwiftApps/SwiftR/IMMEDIATE-TODO =================================================================== --- SwiftApps/SwiftR/IMMEDIATE-TODO 2011-04-22 07:05:03 UTC (rev 4401) +++ SwiftApps/SwiftR/IMMEDIATE-TODO 2011-04-22 21:47:01 UTC (rev 4402) @@ -38,6 +38,8 @@ HIGH: -- better ctrl-c support + -- How to abort swiftapply call once started without bringing down + cluster? HIGH: -- Test on Mac @@ -79,6 +81,12 @@ - saner approach to channels: channel per request to avoid the issue of what happens if a "done" is never read +MID: +- Support Swift mode where it runs multiple batch jobs to avoid timeout + issues and congestion issues + +MID: +- mechanism to copy files across MID: - SGE for Tim bates From wozniak at ci.uchicago.edu Sat Apr 23 11:50:30 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Sat, 23 Apr 2011 11:50:30 -0500 (CDT) Subject: [Swift-commit] r4403 - www Message-ID: <20110423165030.6C41BFC41@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-23 11:50:29 -0500 (Sat, 23 Apr 2011) New Revision: 4403 Modified: www/README.txt Log: WWW notes Modified: www/README.txt =================================================================== --- www/README.txt 2011-04-22 21:47:01 UTC (rev 4402) +++ www/README.txt 2011-04-23 16:50:29 UTC (rev 4403) @@ -1,12 +1,21 @@ +PERMISSIONS: + +Remember to set umask to 077 to make sure that the vdl2-svn +group has write access to all of this stuff, including .svn +files. + +GUIDES: + Formerly, -/guides was trunk/docs +/guides was SVN trunk/docs Now, /guides/trunk is SVN trunk/docs /guides/release-0.91 is SVN branches/1.0/docs +/guides/release-0.92 is SVN branches/release-0.92/docs /guides/current is SVN branches/1.0/docs /docs/index.php will be updated to have multiple versions for QS From ketan at ci.uchicago.edu Sun Apr 24 22:42:59 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Sun, 24 Apr 2011 22:42:59 -0500 (CDT) Subject: [Swift-commit] r4404 - www/cookbook Message-ID: <20110425034259.A57349D677@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-24 22:42:59 -0500 (Sun, 24 Apr 2011) New Revision: 4404 Modified: www/cookbook/cookbook-asciidoc.txt Log: Modified: www/cookbook/cookbook-asciidoc.txt =================================================================== --- www/cookbook/cookbook-asciidoc.txt 2011-04-23 16:50:29 UTC (rev 4403) +++ www/cookbook/cookbook-asciidoc.txt 2011-04-25 03:42:59 UTC (rev 4404) @@ -34,16 +34,18 @@ Installation ~~~~~~~~~~~~ -Installation instructions +This section takes you through the installation of the Swift system on your +computer. We will start with the prerequisites as explained in the subsequent +section. -prerequisites +Prerequisites ^^^^^^^^^^^^^^ -Check your Java -Swift is a Java application. Make sure you're running Java 5 or higher. You -can make sure you have Java in your $HOME/.soft file and the softenv system -(http://www.ci.uchicago.edu/wiki/bin/view/Resources/Softenv) will set it up -for you. To run Java 6: +.Check your Java +Swift is a Java application. Make sure you are running Java version 5 or higher. You +can make sure you have Java in your $PATH (or $HOME/.soft file depending upon your environment) +Following are the possible ways to detect and run Java: + ---- $ grep java $HOME/.soft #+java-sun # Gives you Java 5 @@ -55,11 +57,11 @@ Java(TM) SE Runtime Environment (build 1.6.0_11-b03) Java HotSpot(TM) 64-Bit Server VM (build 11.0-b16, mixed mode) ---- -Setting up to run Swift -This is simple. We'll be using a version of the Swift stable SVN branch, -compiled for this class. Make sure you have a suitable Java set up. The examples were tested with -Java version 1.6 Make sure you don't already have Swift in your PATH. If you do, remove it, -or remove any +swift or @swift lines from your $HOME/.soft file. Then do: PATH=$PATH:/home/wilde/bigdata/swift/bin + +.Setting up to run Swift +This is simple. We will be using a pre-compiled version of Swift that can be downloaded from the following location: http://www.ci.uchicago.edu/swift/packages/swift-0.92.1.tar.gz +. The examples were tested with Java version 1.6 Make sure you don't already have Swift in your PATH. If you do, remove it, +or remove any +swift or @swift lines from your $HOME/.soft or $HOME/.bash_profile file. Then do: PATH=$PATH:/home/wilde/bigdata/swift/bin Do NOT set SWIFT_HOME or CLASSPATH in your environment unless you fully understand how these will affect Swift's execution From ketan at ci.uchicago.edu Sun Apr 24 22:43:39 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Sun, 24 Apr 2011 22:43:39 -0500 (CDT) Subject: [Swift-commit] r4405 - www/cookbook Message-ID: <20110425034339.7771F9D677@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-24 22:43:39 -0500 (Sun, 24 Apr 2011) New Revision: 4405 Modified: www/cookbook/cookbook-asciidoc.html Log: Modified: www/cookbook/cookbook-asciidoc.html =================================================================== --- www/cookbook/cookbook-asciidoc.html 2011-04-25 03:42:59 UTC (rev 4404) +++ www/cookbook/cookbook-asciidoc.html 2011-04-25 03:43:39 UTC (rev 4405) @@ -603,14 +603,14 @@

    2.1. Installation

    -

    Installation instructions

    +

    This section takes you through the installation of the Swift system on your +computer. We will start with the prerequisites as explained in the subsequent +section.

    -

    2.1.1. prerequisites

    -

    Check your Java -Swift is a Java application. Make sure you’re running Java 5 or higher. You -can make sure you have Java in your $HOME/.soft file and the softenv system -(http://www.ci.uchicago.edu/wiki/bin/view/Resources/Softenv) will set it up -for you. To run Java 6:

    +

    2.1.1. Prerequisites

    +
    Check your Java

    Swift is a Java application. Make sure you are running Java version 5 or higher. You +can make sure you have Java in your $PATH (or $HOME/.soft file depending upon your environment)

    +

    Following are the possible ways to detect and run Java:

    $ grep java $HOME/.soft
@@ -623,11 +623,9 @@
 Java(TM) SE Runtime Environment (build 1.6.0_11-b03)
 Java HotSpot(TM) 64-Bit Server VM (build 11.0-b16, mixed mode)
    -

    Setting up to run Swift -This is simple. We’ll be using a version of the Swift stable SVN branch, -compiled for this class. Make sure you have a suitable Java set up. The examples were tested with -Java version 1.6 Make sure you don’t already have Swift in your PATH. If you do, remove it, -or remove any +swift or @swift lines from your $HOME/.soft file. Then do: PATH=$PATH:/home/wilde/bigdata/swift/bin +

    Setting up to run Swift

    This is simple. We will be using a pre-compiled version of Swift that can be downloaded from the following location: http://www.ci.uchicago.edu/swift/packages/swift-0.92.1.tar.gz +. The examples were tested with Java version 1.6 Make sure you don’t already have Swift in your PATH. If you do, remove it, +or remove any +swift or @swift lines from your $HOME/.soft or $HOME/.bash_profile file. Then do: PATH=$PATH:/home/wilde/bigdata/swift/bin Do NOT set SWIFT_HOME or CLASSPATH in your environment unless you fully understand how these will affect Swift’s execution

    @@ -823,7 +821,37 @@

    Also includes a description of Swift inputs and outputs.

    -

    2.6. Resuming a stopped or crashed Swift Run

    +

    2.6. What if Swift hangs

    +

    Owing to its highly multithreaded architecture it is often the case that the +underlying java virtual machine gets into deadlock situations or Swift hangs +because of other complications in its threaded operations. Under such +situations, Swift hang-checker chips in and resolves the situation.

    +
      +
    1. +

      +how to use the information to identify and correct the deadlock. +

      +
      2. +
    2. +

      +How close to the Swift source code can we make the hang-checker messages, so that the user can relate it to Swift functions, expressions, and ideally source code lines? +

      +
      3. +
    3. +

      +The current Hang Checker output is actually very nice and useful already: +Registered futures: +Rupture[] rups Closed, 1 elements, 0 listeners +Variation vars - Closed, no listeners +SgtDim sub - Open, 1 listeners +string site Closed, no listeners +Variation[] vars Closed, 72 elements, 0 listeners +

      +
      4. +
    +
    +
    +

    2.7. Resuming a stopped or crashed Swift Run

    I had a .rlog file from a Swift run that ran out of time. I kicked it off using the -resume flag described in section 16.2 of the Swift User Guide and it picked up where it left off. Then I killed it because I wanted to make @@ -924,7 +952,7 @@ run\]

    -

    2.7. Passing an array to swift?

    +

    2.8. Passing an array to swift?

    1. @@ -1072,8 +1100,43 @@ Its a very interesting question, and a hard but critically important one to answer to make usage simpler.

    -
    -

    4.1. Debugging Swift

    +

    For Advanced Users or How do I fine tune coasters to target specific execution +environment

    +
    +
    +
    //Coasters for advanced users. Getting your hands dirty.
+
+. One of the main reason that one would initially deviate from coaster defaults
+into more complex pool entries is to force jobs to fit into some site-imposed
+constraint. For instance a typical submission to the experimental queue requires a user to
+request upto 3 nodes for under 1 hour. This setup could be achieved with a
+careful tuning of coaters parameters.
+
+//How to run Swift under different Coasters configurations
+//~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//
+//Manual
+//^^^^^^^
+//Todo
+//
+//Passive
+//^^^^^^^^
+//Todo
+//
+//Persistent
+//^^^^^^^^^^^
+//Todo
+//
+//Summary of Differences Between different Coaster types
+//~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+//A tabular representations of highlights of different coaster setups
+//
+//
+//Data Management
+//
+
+Debugging Swift
    +

    Swift errors are logged in several places:

    1. @@ -1109,9 +1172,8 @@

    -
    -

    4.2. Problem Reporting

    +

    4.1. Problem Reporting

    When reporting problems to swift-user at ci.uchicago.edu, please attach the following files and information:

      @@ -1175,7 +1237,7 @@ From ketan at ci.uchicago.edu Mon Apr 25 12:46:59 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Mon, 25 Apr 2011 12:46:59 -0500 (CDT) Subject: [Swift-commit] r4406 - in www/cookbook: . figures Message-ID: <20110425174659.753C69CC80@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-25 12:46:59 -0500 (Mon, 25 Apr 2011) New Revision: 4406 Modified: www/cookbook/cookbook-asciidoc.html www/cookbook/cookbook-asciidoc.txt www/cookbook/figures/coaster_setup.png Log: Modified: www/cookbook/cookbook-asciidoc.html =================================================================== --- www/cookbook/cookbook-asciidoc.html 2011-04-25 03:43:39 UTC (rev 4405) +++ www/cookbook/cookbook-asciidoc.html 2011-04-25 17:46:59 UTC (rev 4406) @@ -1100,43 +1100,25 @@ Its a very interesting question, and a hard but critically important one to answer to make usage simpler.
    -

    For Advanced Users or How do I fine tune coasters to target specific execution -environment

    -
    -
    -
    //Coasters for advanced users. Getting your hands dirty.
-
-. One of the main reason that one would initially deviate from coaster defaults
+
    
+
    4.1. For Advanced Users or How do I fine tune coasters to target specific execution
    
+
      
+
    1. 
+
      
+One of the main reason that one would initially deviate from coaster defaults
 into more complex pool entries is to force jobs to fit into some site-imposed
 constraint. For instance a typical submission to the experimental queue requires a user to
 request upto 3 nodes for under 1 hour. This setup could be achieved with a
 careful tuning of coaters parameters.
-
-//How to run Swift under different Coasters configurations
-//~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-//
-//Manual
-//^^^^^^^
-//Todo
-//
-//Passive
-//^^^^^^^^
-//Todo
-//
-//Persistent
-//^^^^^^^^^^^
-//Todo
-//
-//Summary of Differences Between different Coaster types
-//~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-//A tabular representations of highlights of different coaster setups
-//
-//
-//Data Management
-//
-
-Debugging Swift
    -
    +

    + +
    +
    +
    +
    +
    +

    5. Debugging Swift

    +

    Swift errors are logged in several places:

    1. @@ -1172,8 +1154,100 @@

    +
    +
    +
    +

    6. Log Processing

    +
    +

    To properly generate log plots, you must enable VDL/Karajan logging.

    +

    Make sure log4.properties contains:

    +
    +
    +
    log4j.logger.swift=DEBUG
    +
    -

    4.1. Problem Reporting

    +

    6.1. Make a basic load plot from Coasters Cpu log lines

    +
      +
    1. +

      +Generate the log (may set log4j.logger.swift=INFO for this one) +(assuming the log is titled swift-run.log) +

      +
      2. +
    2. +

      +Convert the log times to Unix time +./iso-to-secs < swift-run.log > swift-run.time +

      +
      3. +
    3. +

      +Make the start time file (this contains the earliest timestamp) +make LOG=swift-run.log start-time.tmp +or +extract-start-time swift-run.log > start-time.tmp +

      +
      4. +
    4. +

      +Normalize the transition times +./normalise-event-start-time < swift-run.time > swift-run.norm +

      +
      5. +
    5. +

      +Build up a load data file: +./cpu-job-load.pl < swift-run.norm > load.data +

      +
      6. +
    6. +

      +Plot with the JFreeChart-based plotter in usertools/plotter: +lines.zsh load.cfg load.eps load.data +

      +
      7. +
    +
    +

    6.1.1. Make a basic job completion plot from Coasters Cpu log lines

    +

    Same as above, but:

    +
      +
    1. +

      +Build up a completed data file: +

      +
      2. +
    +
    /cpu-job-completed.pl < swift-run.norm > completed.data
      +
    1. +

      +Plot with the JFreeChart-based plotter in usertools/plotter: +

      +
      2. +
    +

    lines.zsh completed.cfg completed.eps completed.data

    +
    +
    +

    6.1.2. Make a basic Block allocation plot from Coasters Block log lines

    +

    Same as above, but:

    +
      +
    1. +

      +Build up a block allocation data file: +

      +
      2. +
    +
    /block-level.pl < swift-run.norm > blocks.data
      +
    1. +

      +Plot with the JFreeChart-based plotter in usertools/plotter: +lines.zsh blocks.{cfg,eps,data} +

      +
      2. +
    +
    +
    +
    +

    6.2. Problem Reporting

    When reporting problems to swift-user at ci.uchicago.edu, please attach the following files and information:

      @@ -1237,7 +1311,7 @@ Modified: www/cookbook/cookbook-asciidoc.txt =================================================================== --- www/cookbook/cookbook-asciidoc.txt 2011-04-25 03:43:39 UTC (rev 4405) +++ www/cookbook/cookbook-asciidoc.txt 2011-04-25 17:46:59 UTC (rev 4406) @@ -540,9 +540,10 @@ // // // + For Advanced Users or How do I fine tune coasters to target specific execution -environment -~~~~~~~~~~~~~~~~~~~ +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + //Coasters for advanced users. Getting your hands dirty. . One of the main reason that one would initially deviate from coaster defaults @@ -575,7 +576,7 @@ // Debugging Swift -~~~~~~~~~~~~~~~~ +--------------- Swift errors are logged in several places: . All text from standard output and standard error produced by running the @@ -591,6 +592,68 @@ Cobalt) . $HOME/.globus/??? on remote systems that you access via Globus + +Log Processing +--------------- + +To properly generate log plots, you must enable VDL/Karajan logging. + +Make sure log4.properties contains: +-------------------------------------- +log4j.logger.swift=DEBUG +-------------------------------------- + +Make a basic load plot from Coasters Cpu log lines +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + +. Generate the log (may set log4j.logger.swift=INFO for this one) +(assuming the log is titled swift-run.log) + +. Convert the log times to Unix time +./iso-to-secs < swift-run.log > swift-run.time + +. Make the start time file (this contains the earliest timestamp) +make LOG=swift-run.log start-time.tmp +or +extract-start-time swift-run.log > start-time.tmp + +. Normalize the transition times +./normalise-event-start-time < swift-run.time > swift-run.norm + +. Build up a load data file: +./cpu-job-load.pl < swift-run.norm > load.data + +. Plot with the JFreeChart-based plotter in usertools/plotter: +lines.zsh load.cfg load.eps load.data + +Make a basic job completion plot from Coasters Cpu log lines +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +Same as above, but: + +[start=5] +. Build up a completed data file: + +./cpu-job-completed.pl < swift-run.norm > completed.data + +. Plot with the JFreeChart-based plotter in usertools/plotter: + +lines.zsh completed.cfg completed.eps completed.data + +Make a basic Block allocation plot from Coasters Block log lines +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +Same as above, but: + +[start=5] +. Build up a block allocation data file: + +./block-level.pl < swift-run.norm > blocks.data + +. Plot with the JFreeChart-based plotter in usertools/plotter: +lines.zsh blocks.{cfg,eps,data} + + Problem Reporting ~~~~~~~~~~~~~~~~~ When reporting problems to swift-user at ci.uchicago.edu, please attach the Modified: www/cookbook/figures/coaster_setup.png =================================================================== (Binary files differ) From ketan at ci.uchicago.edu Mon Apr 25 13:03:51 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Mon, 25 Apr 2011 13:03:51 -0500 (CDT) Subject: [Swift-commit] r4407 - www/cookbook Message-ID: <20110425180351.A973E9CC80@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-25 13:03:51 -0500 (Mon, 25 Apr 2011) New Revision: 4407 Modified: www/cookbook/cookbook-asciidoc.html www/cookbook/cookbook-asciidoc.txt Log: Modified: www/cookbook/cookbook-asciidoc.html =================================================================== --- www/cookbook/cookbook-asciidoc.html 2011-04-25 17:46:59 UTC (rev 4406) +++ www/cookbook/cookbook-asciidoc.html 2011-04-25 18:03:51 UTC (rev 4407) @@ -1167,83 +1167,63 @@

    6.1. Make a basic load plot from Coasters Cpu log lines

    -
      -
    1. -

      -Generate the log (may set log4j.logger.swift=INFO for this one) -(assuming the log is titled swift-run.log) -

      -
      2. -
    2. -

      -Convert the log times to Unix time -./iso-to-secs < swift-run.log > swift-run.time -

      -
      3. -
    3. -

      -Make the start time file (this contains the earliest timestamp) -make LOG=swift-run.log start-time.tmp -or -extract-start-time swift-run.log > start-time.tmp -

      -
      4. -
    4. -

      -Normalize the transition times -./normalise-event-start-time < swift-run.time > swift-run.norm -

      -
      5. -
    5. -

      -Build up a load data file: -./cpu-job-load.pl < swift-run.norm > load.data -

      -
      6. -
    6. -

      -Plot with the JFreeChart-based plotter in usertools/plotter: -lines.zsh load.cfg load.eps load.data -

      -
      7. -
    +
    Generate the log (may set log4j.logger.swift=INFO for this one)

    (assuming the log is titled swift-run.log)

    +
    +
    Convert the log times to Unix time
    +
    +
    ./iso-to-secs < swift-run.log > swift-run.time
    +
    +
    +
    Make the start time file (this contains the earliest timestamp)
    +
    +
    make LOG=swift-run.log start-time.tmp
    +
    +

    or

    +
    +
    +
    extract-start-time swift-run.log > start-time.tmp
    +
    +
    +
    Normalize the transition times
    +
    +
    ./normalise-event-start-time < swift-run.time > swift-run.norm
    +
    +
    +
    Build up a load data file:
    +
    +
    ./cpu-job-load.pl < swift-run.norm > load.data
    +
    +
    +
    Plot with the JFreeChart-based plotter in usertools/plotter:
    +
    +
    lines.zsh load.cfg load.eps load.data
    +

    6.1.1. Make a basic job completion plot from Coasters Cpu log lines

    -

    Same as above, but:

    -
      -
    1. -

      -Build up a completed data file: -

      -
      2. -
    -
    /cpu-job-completed.pl < swift-run.norm > completed.data
      -
    1. -

      -Plot with the JFreeChart-based plotter in usertools/plotter: -

      -
      2. -
    -

    lines.zsh completed.cfg completed.eps completed.data

    +
    +
    Same as above, but, build up a completed data file:
    +
    +
    ./cpu-job-completed.pl < swift-run.norm > completed.data
    +
    +
    +
    Plot with the JFreeChart-based plotter in usertools/plotter:
    +
    +
    lines.zsh completed.cfg completed.eps completed.data
    +

    6.1.2. Make a basic Block allocation plot from Coasters Block log lines

    Same as above, but:

    -
      -
    1. -

      -Build up a block allocation data file: -

      -
      2. -
    -
    /block-level.pl < swift-run.norm > blocks.data
      -
    1. -

      -Plot with the JFreeChart-based plotter in usertools/plotter: -lines.zsh blocks.{cfg,eps,data} -

      -
      2. -
    +
    +
    Build up a block allocation data file:
    +
    +
    ./block-level.pl < swift-run.norm > blocks.data
    +
    +
    +
    Plot with the JFreeChart-based plotter in usertools/plotter:
    +
    +
    lines.zsh blocks.{cfg,eps,data}
    +
    @@ -1311,7 +1291,7 @@ Modified: www/cookbook/cookbook-asciidoc.txt =================================================================== --- www/cookbook/cookbook-asciidoc.txt 2011-04-25 17:46:59 UTC (rev 4406) +++ www/cookbook/cookbook-asciidoc.txt 2011-04-25 18:03:51 UTC (rev 4407) @@ -599,61 +599,84 @@ To properly generate log plots, you must enable VDL/Karajan logging. Make sure log4.properties contains: --------------------------------------- +---- log4j.logger.swift=DEBUG --------------------------------------- +---- Make a basic load plot from Coasters Cpu log lines ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -. Generate the log (may set log4j.logger.swift=INFO for this one) +.Generate the log (may set log4j.logger.swift=INFO for this one) (assuming the log is titled swift-run.log) -. Convert the log times to Unix time +.Convert the log times to Unix time + +---- ./iso-to-secs < swift-run.log > swift-run.time +---- -. Make the start time file (this contains the earliest timestamp) +.Make the start time file (this contains the earliest timestamp) + +---- make LOG=swift-run.log start-time.tmp +---- + or + +---- extract-start-time swift-run.log > start-time.tmp +---- -. Normalize the transition times +.Normalize the transition times + +---- ./normalise-event-start-time < swift-run.time > swift-run.norm +---- -. Build up a load data file: +.Build up a load data file: + +---- ./cpu-job-load.pl < swift-run.norm > load.data +---- -. Plot with the JFreeChart-based plotter in usertools/plotter: +.Plot with the JFreeChart-based plotter in usertools/plotter: + +---- lines.zsh load.cfg load.eps load.data +---- Make a basic job completion plot from Coasters Cpu log lines ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ -Same as above, but: +.Same as above, but, build up a completed data file: -[start=5] -. Build up a completed data file: - +---- ./cpu-job-completed.pl < swift-run.norm > completed.data +---- -. Plot with the JFreeChart-based plotter in usertools/plotter: +.Plot with the JFreeChart-based plotter in usertools/plotter: +---- lines.zsh completed.cfg completed.eps completed.data +---- Make a basic Block allocation plot from Coasters Block log lines ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ Same as above, but: -[start=5] -. Build up a block allocation data file: +.Build up a block allocation data file: +---- ./block-level.pl < swift-run.norm > blocks.data +---- -. Plot with the JFreeChart-based plotter in usertools/plotter: +.Plot with the JFreeChart-based plotter in usertools/plotter: + +---- lines.zsh blocks.{cfg,eps,data} +---- - Problem Reporting ~~~~~~~~~~~~~~~~~ When reporting problems to swift-user at ci.uchicago.edu, please attach the From wozniak at ci.uchicago.edu Mon Apr 25 14:32:44 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 25 Apr 2011 14:32:44 -0500 (CDT) Subject: [Swift-commit] r4408 - trunk/libexec/log-processing Message-ID: <20110425193244.2C1C99CC80@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-25 14:32:44 -0500 (Mon, 25 Apr 2011) New Revision: 4408 Added: trunk/libexec/log-processing/buckets.pl Log: Adding Added: trunk/libexec/log-processing/buckets.pl =================================================================== --- trunk/libexec/log-processing/buckets.pl (rev 0) +++ trunk/libexec/log-processing/buckets.pl 2011-04-25 19:32:44 UTC (rev 4408) @@ -0,0 +1,57 @@ +#!/usr/bin/perl + +# Put data into buckets for a histogram + +# usage: buckets.pl + +# Given a file containing numbers, produces +# a plottable histogram file containing buckets +# and counts + +# Useful for obtaining job runtime distribution plots + +# Example: +# cat file.txt +# 0.1 +# 0.2 +# 1.1 +# buckets.pl 1 file.txt +# 1 2 +# 2 1 + +use POSIX; + +# Bucket width: +my $width = $ARGV[0]; + +my $file = $ARGV[1]; + +open FILE, "<", $file or die "could not open: $file\n"; + +my %b = (); +while () +{ + # Round up to nearest bucket + my $v = ceil($_); + while (($v % $width) != 0) { + $v++; + } + if (exists $b{$v}) { + $b{$v} = $b{$v} + 1; + } + else { + $b{$v} = 1; + } +} + + at s = sort { $a <=> $b } keys %b; + +for (@s) { + print "$_ $b{$_}\n"; +} + +print "\n"; + +# Local Variables: +# perl-basic-offset: 2 +# End: Property changes on: trunk/libexec/log-processing/buckets.pl ___________________________________________________________________ Name: svn:executable + * From wozniak at ci.uchicago.edu Mon Apr 25 14:37:57 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 25 Apr 2011 14:37:57 -0500 (CDT) Subject: [Swift-commit] r4409 - trunk/libexec/log-processing Message-ID: <20110425193757.2422B9CC80@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-25 14:37:56 -0500 (Mon, 25 Apr 2011) New Revision: 4409 Added: trunk/libexec/log-processing/extract-times.pl Log: Adding Added: trunk/libexec/log-processing/extract-times.pl =================================================================== --- trunk/libexec/log-processing/extract-times.pl (rev 0) +++ trunk/libexec/log-processing/extract-times.pl 2011-04-25 19:37:56 UTC (rev 4409) @@ -0,0 +1,40 @@ +#!/usr/bin/perl -n + +# Extract job runtimes for each job from Coasters +# Cpu log lines + +# usage: extract-times.pl < + +# Requires numerical timestamps (cf. iso-to-secs) +# Uses the Cpu id to determine Cpu start and stop times +# Assumes all jobs are the same +# Output is simple column of runtimes + +BEGIN +{ + %cpus = (); +} + +if (/Cpu/) +{ + if (/submitting/) + { + /(\d*\.\d*) .* Cpu (.*) submitting/; + my $time = $1; + my $cpu = $2; + $cpus{$cpu} = $time; + } + if (/jobTerminated/) + { + /(\d*\.\d*) .* Cpu (.*) jobTerminated/; + my $time = $1; + my $cpu = $2; + my $start = $cpus{$cpu}; + my $duration = $time - $start; + printf("%.3f\n", $duration); + } +} + +# Local Variables: +# perl-basic-offset: 2 +# End: Property changes on: trunk/libexec/log-processing/extract-times.pl ___________________________________________________________________ Name: svn:executable + * From wozniak at ci.uchicago.edu Mon Apr 25 14:43:39 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 25 Apr 2011 14:43:39 -0500 (CDT) Subject: [Swift-commit] r4410 - trunk/libexec/log-processing Message-ID: <20110425194339.AD1C59CC80@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-25 14:43:39 -0500 (Mon, 25 Apr 2011) New Revision: 4410 Added: trunk/libexec/log-processing/buckets.cfg Log: Add basic plot parameters for job runtime buckets Added: trunk/libexec/log-processing/buckets.cfg =================================================================== --- trunk/libexec/log-processing/buckets.cfg (rev 0) +++ trunk/libexec/log-processing/buckets.cfg 2011-04-25 19:43:39 UTC (rev 4410) @@ -0,0 +1,9 @@ + +height = 300 +width = 400 + +xlabel = job duration bound (seconds) +ylabel = job count + +shape.load.data = none +label.buckets.data = non-zero job count From wozniak at ci.uchicago.edu Mon Apr 25 14:45:42 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 25 Apr 2011 14:45:42 -0500 (CDT) Subject: [Swift-commit] r4411 - trunk/libexec/log-processing Message-ID: <20110425194542.EFA109CC82@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-25 14:45:42 -0500 (Mon, 25 Apr 2011) New Revision: 4411 Modified: trunk/libexec/log-processing/README.txt Log: Document the job runtime distribution plot Modified: trunk/libexec/log-processing/README.txt =================================================================== --- trunk/libexec/log-processing/README.txt 2011-04-25 19:43:39 UTC (rev 4410) +++ trunk/libexec/log-processing/README.txt 2011-04-25 19:45:42 UTC (rev 4411) @@ -4,6 +4,10 @@ To properly generate log plots, you must enable VDL/Karajan logging. +You should check the scripts that you intend to use to determine +what log lines they require and ensure that you are generating +those lines via log4j.properties + Make sure log4.properties contains: -------------------------------------- log4j.logger.swift=DEBUG @@ -73,3 +77,24 @@ ------------------------------------------ lines.zsh blocks.{cfg,eps,data} ------------------------------------------ + +Make a job runtime distribution plot from Coasters Cpu log lines +^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ + +Same as above, but: + +[start=5] +. Build up a job runtime file: +------------------------------------------ +./extract-times.pl < swift-run.norm > times.data +------------------------------------------ + +. Put the job runtimes into 1-second buckets: +------------------------------------------ +./ buckets.pl 1 times.data > buckets.data +------------------------------------------ + +. Plot with the JFreeChart-based plotter in usertools/plotter: +------------------------------------------ +lines.zsh buckets.cfg buckets.eps buckets.data +------------------------------------------ From ketan at ci.uchicago.edu Mon Apr 25 14:51:16 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Mon, 25 Apr 2011 14:51:16 -0500 (CDT) Subject: [Swift-commit] r4412 - www/cookbook Message-ID: <20110425195116.7D9089CC82@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-25 14:51:16 -0500 (Mon, 25 Apr 2011) New Revision: 4412 Modified: www/cookbook/cookbook-asciidoc.html www/cookbook/cookbook-asciidoc.txt Log: Modified: www/cookbook/cookbook-asciidoc.html =================================================================== --- www/cookbook/cookbook-asciidoc.html 2011-04-25 19:45:42 UTC (rev 4411) +++ www/cookbook/cookbook-asciidoc.html 2011-04-25 19:51:16 UTC (rev 4412) @@ -1159,11 +1159,11 @@

    6. Log Processing

    -

    To properly generate log plots, you must enable VDL/Karajan logging.

    -

    Make sure log4.properties contains:

    +

    To properly generate log plots, you must enable VDL/Karajan logging. Make sure log4.properties contains:

    -
    log4j.logger.swift=DEBUG
    +
    log4j.logger.swift=DEBUG
+log4j.logger.org.globus.cog.abstraction.coaster.service.job.manager.Cpu=DEBUG

    6.1. Make a basic load plot from Coasters Cpu log lines

    @@ -1291,7 +1291,7 @@ Modified: www/cookbook/cookbook-asciidoc.txt =================================================================== --- www/cookbook/cookbook-asciidoc.txt 2011-04-25 19:45:42 UTC (rev 4411) +++ www/cookbook/cookbook-asciidoc.txt 2011-04-25 19:51:16 UTC (rev 4412) @@ -596,11 +596,10 @@ Log Processing --------------- -To properly generate log plots, you must enable VDL/Karajan logging. - -Make sure log4.properties contains: +To properly generate log plots, you must enable VDL/Karajan logging. Make sure log4.properties contains: ---- log4j.logger.swift=DEBUG +log4j.logger.org.globus.cog.abstraction.coaster.service.job.manager.Cpu=DEBUG ---- Make a basic load plot from Coasters Cpu log lines From wozniak at ci.uchicago.edu Mon Apr 25 16:46:17 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 25 Apr 2011 16:46:17 -0500 (CDT) Subject: [Swift-commit] r4413 - test/asciidoc-manual Message-ID: <20110425214617.D89E19CC82@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-25 16:46:17 -0500 (Mon, 25 Apr 2011) New Revision: 4413 Modified: test/asciidoc-manual/README.txt Log: asciidoc installation notes from Wilde Modified: test/asciidoc-manual/README.txt =================================================================== --- test/asciidoc-manual/README.txt 2011-04-25 19:51:16 UTC (rev 4412) +++ test/asciidoc-manual/README.txt 2011-04-25 21:46:17 UTC (rev 4413) @@ -18,3 +18,13 @@ Numbered lists are not working right in some cases after a code listing block- that's why there are some uses of the [start=*] attribute. + +Installing asciidoc: + +$ wget http://sourceforge.net/projects/asciidoc/files/asciidoc/8.6.4/asciidoc-8.6.4.tar.gz/download +$ tar -xzf asciidoc-8.6.4.tar.gz +$ cd asciidoc-8.6.4 +$ ./configure --prefix $HOME/asciidoc +$ make install +$ PATH=$PATH:$HOME/asciidoc/bin +$ asciidoc manual.txt # creates manual.html From wozniak at ci.uchicago.edu Mon Apr 25 16:46:45 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 25 Apr 2011 16:46:45 -0500 (CDT) Subject: [Swift-commit] r4414 - test/asciidoc-manual Message-ID: <20110425214645.86E399CC82@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-25 16:46:45 -0500 (Mon, 25 Apr 2011) New Revision: 4414 Modified: test/asciidoc-manual/README.txt Log: Section numbering from Ketan Modified: test/asciidoc-manual/README.txt =================================================================== --- test/asciidoc-manual/README.txt 2011-04-25 21:46:17 UTC (rev 4413) +++ test/asciidoc-manual/README.txt 2011-04-25 21:46:45 UTC (rev 4414) @@ -27,4 +27,4 @@ $ ./configure --prefix $HOME/asciidoc $ make install $ PATH=$PATH:$HOME/asciidoc/bin -$ asciidoc manual.txt # creates manual.html +$ asciidoc -n manual.txt # creates manual.html From wozniak at ci.uchicago.edu Mon Apr 25 16:47:38 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Mon, 25 Apr 2011 16:47:38 -0500 (CDT) Subject: [Swift-commit] r4415 - test/asciidoc-manual Message-ID: <20110425214738.F391F9CC82@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-25 16:47:38 -0500 (Mon, 25 Apr 2011) New Revision: 4415 Modified: test/asciidoc-manual/README.txt Log: asciidoc TOC note from Ketan Modified: test/asciidoc-manual/README.txt =================================================================== --- test/asciidoc-manual/README.txt 2011-04-25 21:46:45 UTC (rev 4414) +++ test/asciidoc-manual/README.txt 2011-04-25 21:47:38 UTC (rev 4415) @@ -28,3 +28,5 @@ $ make install $ PATH=$PATH:$HOME/asciidoc/bin $ asciidoc -n manual.txt # creates manual.html + +Add -a toc for table of contents. From ketan at ci.uchicago.edu Mon Apr 25 17:01:58 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Mon, 25 Apr 2011 17:01:58 -0500 (CDT) Subject: [Swift-commit] r4416 - trunk/libexec/log-processing Message-ID: <20110425220158.7D70B9CC82@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-25 17:01:58 -0500 (Mon, 25 Apr 2011) New Revision: 4416 Added: trunk/libexec/log-processing/plotfromoutput Log: added script that generates plot from the timestamps on the output folder Added: trunk/libexec/log-processing/plotfromoutput =================================================================== --- trunk/libexec/log-processing/plotfromoutput (rev 0) +++ trunk/libexec/log-processing/plotfromoutput 2011-04-25 22:01:58 UTC (rev 4416) @@ -0,0 +1,70 @@ +#!/bin/bash + +#bash script to plot the production rate of run from output data's arrival times +if [ $# -ne 1 ] +then +echo "usage: $0 pathofoutputfolder " +fi + +outputfolderpath=$1 + +if [ -f output_times.txt ] +then + rm -f output_times.txt +fi + +if [ -f plot.dat ] +then + rm -f plot.dat +fi + +ls -ltr ${outputfolderpath} | tail +2 | cut -d" " -f6-7 | cut -c 9-16 | tr ' ' ':' > output_times.txt + +counter=0 + +fline=`head -1 output_times.txt` + +initmin=`echo ${fline} | cut -d':' -f3` +inithour=`echo ${fline} | cut -d':' -f2` +initday=`echo ${fline} | cut -d':' -f1` +indexhr=0 +hourchange="false" + +for line in `cat output_times.txt` +do + +day=`echo ${line} | cut -d':' -f1` +hour=`echo ${line} | cut -d':' -f2` +min=`echo ${line} | cut -d':' -f3` + +diff=`expr ${min} - ${initmin}` + +if [ ${day} -eq ${initday} ] +then + if [ ${hour} -eq ${inithour} ] + then + if [ ${diff} -ge 15 ] || [ ${hourchange} == "true" ] + then + # 15 minutes elapsed + echo ${indexhr} " " ${counter} >> plot.dat + indexhr=`expr ${indexhr} + 1` + counter=0 + initmin=${min} + if [ ${hourchange} == "true" ]; then hourchange="false"; fi + else #fifteen minutes not over + counter=`expr ${counter} + 1` + fi + else #hour changes + hourchange="true" + inithour=${hour} + + fi +else #day changes + echo ${day} + echo "day has changed" + daychange="true" + initday=${day} +fi + +done + Property changes on: trunk/libexec/log-processing/plotfromoutput ___________________________________________________________________ Name: svn:executable + * From ketan at ci.uchicago.edu Mon Apr 25 17:35:37 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Mon, 25 Apr 2011 17:35:37 -0500 (CDT) Subject: [Swift-commit] r4417 - trunk/libexec/log-processing Message-ID: <20110425223537.28C119CC82@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-25 17:35:37 -0500 (Mon, 25 Apr 2011) New Revision: 4417 Added: trunk/libexec/log-processing/minmem Log: added minmem: a log processing script that checks the oom.log and reports the minimum the memory went during a run Added: trunk/libexec/log-processing/minmem =================================================================== --- trunk/libexec/log-processing/minmem (rev 0) +++ trunk/libexec/log-processing/minmem 2011-04-25 22:35:37 UTC (rev 4417) @@ -0,0 +1,18 @@ +#!/bin/bash + +#usage: ./minmem path/to/oom.log + +if [ $# -ne 1 ] +then +echo "usage: $0 /path/to/oom.log" +fi + +minmem=4000 +for mem in `cat $1 | cut -d" " -f 10` +do + if [ $mem -le $minmem ] + then + minmem=$mem + fi +done +echo $minmem Property changes on: trunk/libexec/log-processing/minmem ___________________________________________________________________ Name: svn:executable + * From davidk at ci.uchicago.edu Tue Apr 26 01:55:46 2011 From: davidk at ci.uchicago.edu (davidk at ci.uchicago.edu) Date: Tue, 26 Apr 2011 01:55:46 -0500 (CDT) Subject: [Swift-commit] r4418 - in trunk/tests: . language-behaviour Message-ID: <20110426065546.3CA059CCBD@svn.ci.uchicago.edu> Author: davidk Date: 2011-04-26 01:55:46 -0500 (Tue, 26 Apr 2011) New Revision: 4418 Added: trunk/tests/language-behaviour/057-foreach-twice-range.check.sh trunk/tests/language-behaviour/057-foreach-twice-range.clean.sh trunk/tests/language-behaviour/057-foreach-twice-range.first.0000.out.expected trunk/tests/language-behaviour/057-foreach-twice-range.first.0001.out.expected trunk/tests/language-behaviour/057-foreach-twice-range.first.0002.out.expected trunk/tests/language-behaviour/057-foreach-twice-range.first.0003.out.expected trunk/tests/language-behaviour/057-foreach-twice-range.first.0004.out.expected trunk/tests/language-behaviour/057-foreach-twice-range.first.0005.out.expected trunk/tests/language-behaviour/057-foreach-twice-range.first.0006.out.expected trunk/tests/language-behaviour/057-foreach-twice-range.first.0007.out.expected trunk/tests/language-behaviour/057-foreach-twice-range.first.0008.out.expected trunk/tests/language-behaviour/057-foreach-twice-range.first.0009.out.expected trunk/tests/language-behaviour/057-foreach-twice-range.second.0000.out.expected trunk/tests/language-behaviour/057-foreach-twice-range.second.0001.out.expected trunk/tests/language-behaviour/057-foreach-twice-range.second.0002.out.expected trunk/tests/language-behaviour/057-foreach-twice-range.second.0003.out.expected trunk/tests/language-behaviour/057-foreach-twice-range.second.0004.out.expected trunk/tests/language-behaviour/057-foreach-twice-range.second.0005.out.expected trunk/tests/language-behaviour/057-foreach-twice-range.second.0006.out.expected trunk/tests/language-behaviour/057-foreach-twice-range.second.0007.out.expected trunk/tests/language-behaviour/057-foreach-twice-range.second.0008.out.expected trunk/tests/language-behaviour/057-foreach-twice-range.second.0009.out.expected trunk/tests/language-behaviour/057-foreach-twice-range.setup.sh trunk/tests/language-behaviour/057-foreach-twice-range.swift trunk/tests/language-behaviour/058-foreach-twice-string.check.sh trunk/tests/language-behaviour/058-foreach-twice-string.clean.sh trunk/tests/language-behaviour/058-foreach-twice-string.first.0000.out.expected trunk/tests/language-behaviour/058-foreach-twice-string.first.0001.out.expected trunk/tests/language-behaviour/058-foreach-twice-string.first.0002.out.expected trunk/tests/language-behaviour/058-foreach-twice-string.second.0000.out.expected trunk/tests/language-behaviour/058-foreach-twice-string.second.0001.out.expected trunk/tests/language-behaviour/058-foreach-twice-string.second.0002.out.expected trunk/tests/language-behaviour/058-foreach-twice-string.setup.sh trunk/tests/language-behaviour/058-foreach-twice-string.swift Modified: trunk/tests/suite.sh Log: Added more thorough regression tests for foreach bug (bugzilla #331) Fixed a syntax error in the test suite script Added: trunk/tests/language-behaviour/057-foreach-twice-range.check.sh =================================================================== --- trunk/tests/language-behaviour/057-foreach-twice-range.check.sh (rev 0) +++ trunk/tests/language-behaviour/057-foreach-twice-range.check.sh 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1,17 @@ +#!/bin/bash + +set -x + +for count in `seq --format "%04.f" 0 1 9` +do + [ -f "057-foreach-twice-range.first.$count.out" ] || exit 1 + CONTENTS1=$( cat 057-foreach-twice-range.first.$count.out.expected ) + CONTENTS2=$( cat 057-foreach-twice-range.first.$count.out ) + [[ $CONTENTS1 == $CONTENTS2 ]] || exit 1 + [ -f "057-foreach-twice-range.second.$count.out" ] || exit 1 + CONTENTS3=$( cat 057-foreach-twice-range.second.$count.out.expected ) + CONTENTS4=$( cat 057-foreach-twice-range.second.$count.out ) + [[ $CONTENTS3 == $CONTENTS4 ]] || exit 1 +done +exit 0 + Property changes on: trunk/tests/language-behaviour/057-foreach-twice-range.check.sh ___________________________________________________________________ Name: svn:executable + * Added: trunk/tests/language-behaviour/057-foreach-twice-range.clean.sh =================================================================== --- trunk/tests/language-behaviour/057-foreach-twice-range.clean.sh (rev 0) +++ trunk/tests/language-behaviour/057-foreach-twice-range.clean.sh 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1,7 @@ +#!/bin/bash + +set -x + +rm -v 057-foreach-twice-range.*.out || exit 1 + +exit 0 Property changes on: trunk/tests/language-behaviour/057-foreach-twice-range.clean.sh ___________________________________________________________________ Name: svn:executable + * Added: trunk/tests/language-behaviour/057-foreach-twice-range.first.0000.out.expected =================================================================== --- trunk/tests/language-behaviour/057-foreach-twice-range.first.0000.out.expected (rev 0) +++ trunk/tests/language-behaviour/057-foreach-twice-range.first.0000.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +test1-0 Added: trunk/tests/language-behaviour/057-foreach-twice-range.first.0001.out.expected =================================================================== --- trunk/tests/language-behaviour/057-foreach-twice-range.first.0001.out.expected (rev 0) +++ trunk/tests/language-behaviour/057-foreach-twice-range.first.0001.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +test1-1 Added: trunk/tests/language-behaviour/057-foreach-twice-range.first.0002.out.expected =================================================================== --- trunk/tests/language-behaviour/057-foreach-twice-range.first.0002.out.expected (rev 0) +++ trunk/tests/language-behaviour/057-foreach-twice-range.first.0002.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +test1-2 Added: trunk/tests/language-behaviour/057-foreach-twice-range.first.0003.out.expected =================================================================== --- trunk/tests/language-behaviour/057-foreach-twice-range.first.0003.out.expected (rev 0) +++ trunk/tests/language-behaviour/057-foreach-twice-range.first.0003.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +test1-3 Added: trunk/tests/language-behaviour/057-foreach-twice-range.first.0004.out.expected =================================================================== --- trunk/tests/language-behaviour/057-foreach-twice-range.first.0004.out.expected (rev 0) +++ trunk/tests/language-behaviour/057-foreach-twice-range.first.0004.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +test1-4 Added: trunk/tests/language-behaviour/057-foreach-twice-range.first.0005.out.expected =================================================================== --- trunk/tests/language-behaviour/057-foreach-twice-range.first.0005.out.expected (rev 0) +++ trunk/tests/language-behaviour/057-foreach-twice-range.first.0005.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +test1-5 Added: trunk/tests/language-behaviour/057-foreach-twice-range.first.0006.out.expected =================================================================== --- trunk/tests/language-behaviour/057-foreach-twice-range.first.0006.out.expected (rev 0) +++ trunk/tests/language-behaviour/057-foreach-twice-range.first.0006.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +test1-6 Added: trunk/tests/language-behaviour/057-foreach-twice-range.first.0007.out.expected =================================================================== --- trunk/tests/language-behaviour/057-foreach-twice-range.first.0007.out.expected (rev 0) +++ trunk/tests/language-behaviour/057-foreach-twice-range.first.0007.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +test1-7 Added: trunk/tests/language-behaviour/057-foreach-twice-range.first.0008.out.expected =================================================================== --- trunk/tests/language-behaviour/057-foreach-twice-range.first.0008.out.expected (rev 0) +++ trunk/tests/language-behaviour/057-foreach-twice-range.first.0008.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +test1-8 Added: trunk/tests/language-behaviour/057-foreach-twice-range.first.0009.out.expected =================================================================== --- trunk/tests/language-behaviour/057-foreach-twice-range.first.0009.out.expected (rev 0) +++ trunk/tests/language-behaviour/057-foreach-twice-range.first.0009.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +test1-9 Added: trunk/tests/language-behaviour/057-foreach-twice-range.second.0000.out.expected =================================================================== --- trunk/tests/language-behaviour/057-foreach-twice-range.second.0000.out.expected (rev 0) +++ trunk/tests/language-behaviour/057-foreach-twice-range.second.0000.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +test2-0 Added: trunk/tests/language-behaviour/057-foreach-twice-range.second.0001.out.expected =================================================================== --- trunk/tests/language-behaviour/057-foreach-twice-range.second.0001.out.expected (rev 0) +++ trunk/tests/language-behaviour/057-foreach-twice-range.second.0001.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +test2-1 Added: trunk/tests/language-behaviour/057-foreach-twice-range.second.0002.out.expected =================================================================== --- trunk/tests/language-behaviour/057-foreach-twice-range.second.0002.out.expected (rev 0) +++ trunk/tests/language-behaviour/057-foreach-twice-range.second.0002.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +test2-2 Added: trunk/tests/language-behaviour/057-foreach-twice-range.second.0003.out.expected =================================================================== --- trunk/tests/language-behaviour/057-foreach-twice-range.second.0003.out.expected (rev 0) +++ trunk/tests/language-behaviour/057-foreach-twice-range.second.0003.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +test2-3 Added: trunk/tests/language-behaviour/057-foreach-twice-range.second.0004.out.expected =================================================================== --- trunk/tests/language-behaviour/057-foreach-twice-range.second.0004.out.expected (rev 0) +++ trunk/tests/language-behaviour/057-foreach-twice-range.second.0004.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +test2-4 Added: trunk/tests/language-behaviour/057-foreach-twice-range.second.0005.out.expected =================================================================== --- trunk/tests/language-behaviour/057-foreach-twice-range.second.0005.out.expected (rev 0) +++ trunk/tests/language-behaviour/057-foreach-twice-range.second.0005.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +test2-5 Added: trunk/tests/language-behaviour/057-foreach-twice-range.second.0006.out.expected =================================================================== --- trunk/tests/language-behaviour/057-foreach-twice-range.second.0006.out.expected (rev 0) +++ trunk/tests/language-behaviour/057-foreach-twice-range.second.0006.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +test2-6 Added: trunk/tests/language-behaviour/057-foreach-twice-range.second.0007.out.expected =================================================================== --- trunk/tests/language-behaviour/057-foreach-twice-range.second.0007.out.expected (rev 0) +++ trunk/tests/language-behaviour/057-foreach-twice-range.second.0007.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +test2-7 Added: trunk/tests/language-behaviour/057-foreach-twice-range.second.0008.out.expected =================================================================== --- trunk/tests/language-behaviour/057-foreach-twice-range.second.0008.out.expected (rev 0) +++ trunk/tests/language-behaviour/057-foreach-twice-range.second.0008.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +test2-8 Added: trunk/tests/language-behaviour/057-foreach-twice-range.second.0009.out.expected =================================================================== --- trunk/tests/language-behaviour/057-foreach-twice-range.second.0009.out.expected (rev 0) +++ trunk/tests/language-behaviour/057-foreach-twice-range.second.0009.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +test2-9 Added: trunk/tests/language-behaviour/057-foreach-twice-range.setup.sh =================================================================== --- trunk/tests/language-behaviour/057-foreach-twice-range.setup.sh (rev 0) +++ trunk/tests/language-behaviour/057-foreach-twice-range.setup.sh 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1,3 @@ +#!/bin/bash + +cp -v $GROUP/057*expected . || exit 1 Property changes on: trunk/tests/language-behaviour/057-foreach-twice-range.setup.sh ___________________________________________________________________ Name: svn:executable + * Added: trunk/tests/language-behaviour/057-foreach-twice-range.swift =================================================================== --- trunk/tests/language-behaviour/057-foreach-twice-range.swift (rev 0) +++ trunk/tests/language-behaviour/057-foreach-twice-range.swift 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1,20 @@ +type file; + +app (file o) echo (string msg) +{ + echo msg stdout=@o; +} + +file out[]; +file out2[]; + +foreach a,i in [0:9] { + string s = @strcat("test1-", i); + out[i] = echo(s); +} + +foreach a,i in [0:9] { + string s = @strcat("test2-", i); + out2[i] = echo(s); +} + Added: trunk/tests/language-behaviour/058-foreach-twice-string.check.sh =================================================================== --- trunk/tests/language-behaviour/058-foreach-twice-string.check.sh (rev 0) +++ trunk/tests/language-behaviour/058-foreach-twice-string.check.sh 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1,17 @@ +#!/bin/bash + +set -x + +for count in `seq --format "%04.f" 0 1 2` +do + [ -f "058-foreach-twice-string.first.$count.out" ] || exit 1 + CONTENTS1=$( cat 058-foreach-twice-string.first.$count.out.expected ) + CONTENTS2=$( cat 058-foreach-twice-string.first.$count.out ) + [[ $CONTENTS1 == $CONTENTS2 ]] || exit 1 + [ -f "058-foreach-twice-string.second.$count.out" ] || exit 1 + CONTENTS3=$( cat 058-foreach-twice-string.second.$count.out.expected ) + CONTENTS4=$( cat 058-foreach-twice-string.second.$count.out ) + [[ $CONTENTS3 == $CONTENTS4 ]] || exit 1 +done +exit 0 + Property changes on: trunk/tests/language-behaviour/058-foreach-twice-string.check.sh ___________________________________________________________________ Name: svn:executable + * Added: trunk/tests/language-behaviour/058-foreach-twice-string.clean.sh =================================================================== --- trunk/tests/language-behaviour/058-foreach-twice-string.clean.sh (rev 0) +++ trunk/tests/language-behaviour/058-foreach-twice-string.clean.sh 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1,6 @@ +#!/bin/bash + +set -x + +rm -v 058-foreach-twice-string.*.out || exit 1 +exit 0 Property changes on: trunk/tests/language-behaviour/058-foreach-twice-string.clean.sh ___________________________________________________________________ Name: svn:executable + * Added: trunk/tests/language-behaviour/058-foreach-twice-string.first.0000.out.expected =================================================================== --- trunk/tests/language-behaviour/058-foreach-twice-string.first.0000.out.expected (rev 0) +++ trunk/tests/language-behaviour/058-foreach-twice-string.first.0000.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +zero Added: trunk/tests/language-behaviour/058-foreach-twice-string.first.0001.out.expected =================================================================== --- trunk/tests/language-behaviour/058-foreach-twice-string.first.0001.out.expected (rev 0) +++ trunk/tests/language-behaviour/058-foreach-twice-string.first.0001.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +one Added: trunk/tests/language-behaviour/058-foreach-twice-string.first.0002.out.expected =================================================================== --- trunk/tests/language-behaviour/058-foreach-twice-string.first.0002.out.expected (rev 0) +++ trunk/tests/language-behaviour/058-foreach-twice-string.first.0002.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +two Added: trunk/tests/language-behaviour/058-foreach-twice-string.second.0000.out.expected =================================================================== --- trunk/tests/language-behaviour/058-foreach-twice-string.second.0000.out.expected (rev 0) +++ trunk/tests/language-behaviour/058-foreach-twice-string.second.0000.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +zero Added: trunk/tests/language-behaviour/058-foreach-twice-string.second.0001.out.expected =================================================================== --- trunk/tests/language-behaviour/058-foreach-twice-string.second.0001.out.expected (rev 0) +++ trunk/tests/language-behaviour/058-foreach-twice-string.second.0001.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +one Added: trunk/tests/language-behaviour/058-foreach-twice-string.second.0002.out.expected =================================================================== --- trunk/tests/language-behaviour/058-foreach-twice-string.second.0002.out.expected (rev 0) +++ trunk/tests/language-behaviour/058-foreach-twice-string.second.0002.out.expected 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1 @@ +two Added: trunk/tests/language-behaviour/058-foreach-twice-string.setup.sh =================================================================== --- trunk/tests/language-behaviour/058-foreach-twice-string.setup.sh (rev 0) +++ trunk/tests/language-behaviour/058-foreach-twice-string.setup.sh 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1,3 @@ +#!/bin/bash + +cp -v $GROUP/058*expected . || exit 1 Property changes on: trunk/tests/language-behaviour/058-foreach-twice-string.setup.sh ___________________________________________________________________ Name: svn:executable + * Added: trunk/tests/language-behaviour/058-foreach-twice-string.swift =================================================================== --- trunk/tests/language-behaviour/058-foreach-twice-string.swift (rev 0) +++ trunk/tests/language-behaviour/058-foreach-twice-string.swift 2011-04-26 06:55:46 UTC (rev 4418) @@ -0,0 +1,19 @@ +type file; + +app (file o) echo (string f) +{ + echo @f stdout=@o; +} + +file out[]; +file out2[]; +string words[] = ["zero", "one", "two"]; + +foreach w,i in words { + out[i] = echo(w); +} + +foreach w,i in words { + out2[i] = echo(w); +} + Modified: trunk/tests/suite.sh =================================================================== --- trunk/tests/suite.sh 2011-04-25 22:35:37 UTC (rev 4417) +++ trunk/tests/suite.sh 2011-04-26 06:55:46 UTC (rev 4418) @@ -950,7 +950,7 @@ if [[ -f $GROUPARG ]]; then GROUPLISTFILE=$GROUPARG source $GROUPLISTFILE || exit 1 -elif [[ -d $GROUPARG +elif [[ -d $GROUPARG ]]; then GROUPLIST=( $GROUPARG ) else echo "Unusable GROUP argument: $GROUPARG" From ketan at ci.uchicago.edu Tue Apr 26 11:02:55 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Tue, 26 Apr 2011 11:02:55 -0500 (CDT) Subject: [Swift-commit] r4419 - www/cookbook Message-ID: <20110426160255.5D4B09CC82@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-26 11:02:55 -0500 (Tue, 26 Apr 2011) New Revision: 4419 Modified: www/cookbook/cookbook-asciidoc.html www/cookbook/cookbook-asciidoc.txt Log: Modified: www/cookbook/cookbook-asciidoc.html =================================================================== --- www/cookbook/cookbook-asciidoc.html 2011-04-26 06:55:46 UTC (rev 4418) +++ www/cookbook/cookbook-asciidoc.html 2011-04-26 16:02:55 UTC (rev 4419) @@ -639,24 +639,17 @@
    Note
    The environment will be different when using Swift from prebuilt -distribution and trunk. +distribution and trunk. To execute your Swift script on the login host ("localhost") use this +command:
    -
    +
    -
        To execute your Swift script on the login host ("localhost") use this
-command:
    -
    -
    -
    swift -tc.file tc modis.swift
    -
    +

    To execute your Swift script on the PADS cluster use this command:

    +
    -
    To execute your Swift script on the PADS cluster use this command:
    -
    -
    -
    swift -tc.file tc -sites.file pbs.xml modis.swift
    @@ -672,23 +665,31 @@

    SimpleMapper

    -
    com$ cat swiftapply.swift
-type RFile;
-trace("hi 1");
-app (RFile result) RunR (RFile rcall)
-{
-  RunR @rcall @result;
-}
-trace("hi 2");
-RFile rcalls[] ;
-RFile results[] ;
-trace("start");
-foreach c, i in rcalls {
-  trace("c",i, at c);
-  trace("r",i, at filename(results[i]));
-  results[i] = RunR(c);
-}
-com$ ls calldir resdir
+
    com$ cat swiftapply.swift
    
+
    +
    +
    +
    type RFile;
+trace("hi 1");
+app (RFile result) RunR (RFile rcall)
+{
+  RunR @rcall @result;
+}
+trace("hi 2");
+RFile rcalls[] ;
+RFile results[] ;
+trace("start");
+foreach c, i in rcalls {
+  trace("c",i,@c);
+  trace("r",i,@filename(results[i]));
+  results[i] = RunR(c);
+}
    +
    +
    +
    com$ ls calldir resdir
 calldir:
 rcall.1.Rdata  rcall.2.Rdata  rcall.3.Rdata  rcall.4.Rdata
 resdir:
@@ -714,20 +715,28 @@
 
    example here
    
 
    
 
    
-
    $ cat writedata.swift
-type file;
-file f <"filea">;
-file nf <"filenames">;
-nf = writeData(@f);
-$ swift writedata.swift
+
    $ cat writedata.swift
    
+
    
+
    
+
    
+
    type file;
+
+file f <"filea">;
+file nf <"filenames">;
+nf = writeData(@f);
    
+
    
+
    
+
    $ swift writedata.swift
 Swift svn swift-r3264 (swift modified locally) cog-r2730 (cog modified
 locally)
 RunID: 20100319-2002-s9vpo0pe
 Progress:
 Final status:
 $ cat filenames
-filea$
-$
    
+filea$

    StructuredRegexpMapper IN PROGRESS This mapper can be used to base the mapped filenames of an output @@ -1005,26 +1014,55 @@

    3.3. Bionimbus

    -

    Swift on Bionimbus -.very important to read this

    -

    contains information on how to connect back to gateway from virtual machines -using reverse ssh tunneling

    -

    to open a reverse ssh tunnel do the following: -.from the gateway prompt

    -

    ssh -R *:5000:localhost:5000 root at 10.101.8.50 sleep 999

    +

    This section explains a step by step procedure on getting Swift running on the Bionimbus cloud. We will use the manual coasters configuration on the Bionimbus cloud.

    +

    step1. Connect to the gateway (ssh gatewayx.lac.uic.edu)

    +

    step2. Start a virtual machine (euca-run-instances -n 1 -t m1.small +emi-17EB1170)

    +

    step3. Start the coaster-service on gateway +coaster-service -port 1984 -localport 35753 -nosec

    +

    step4. Start the Swift-script from the gateway using normal Swift commandline

    +

    swift -config cf -tc.file tc -sites.file sites.xml yourscript.swift -aparam=999

    +

    (See below for a sample sites.xml for this run)

    +

    step5. Connect back to gateway from virtual machines using reverse ssh tunneling as follows:

    +
    From the gateway prompt

    ssh -R *:5000:localhost:5000 root at 10.101.8.50 sleep 999

    WHERE: -*=network interface, should remain the same on all cases -localhost=the gateway host, should remain the same

    +*=network interface, should remain the same on all cases

    +

    localhost=the gateway host, should remain the same

    5000(LEFT OF localhost)=the port number on localhost to listen to **THIS WILL vary depending upon which port you want to listen to

    5000(RIGHT OF localhost)=the port on target host that you want to forward

    -

    root at 10.101.8.50=the ip of the Virtual Machine on bionimbus cloud, this will +

    root at 10.101.8.50=the ip of the Virtual Machine on Bionimbus cloud, this will vary based on what ip you get for your Virtual Machine instance

    -

    coaster-service -port 1984 -localport 35753 -nosec

    #On anywhere as long as provide the correct callback uri: here the "http://140.221.9.110:42195" is the callback uri of previous ones

    -

    worker.pl http://localhost:42195 tmp /tmp # where 42195 is the port where the +

    step6. Start the worker from the virtual machine +worker.pl http://localhost:42195 tmp /tmp # where 42195 is the port where the coaster service is listening to the workers

    +
    +
    sites.xml for the above run
    +
    +
    <config>
+  <pool handle="localhost">
+    <execution provider="coaster-persistent" url="http://localhost:1984" jobmanager="local:local"/>
+    <profile namespace="globus" key="workerManager">passive</profile>
+
+    <profile namespace="globus" key="workersPerNode">4</profile>
+    <profile namespace="globus" key="maxTime">10000</profile>
+    <profile namespace="globus" key="lowOverAllocation">100</profile>
+    <profile namespace="globus" key="highOverAllocation">100</profile>
+    <profile namespace="globus" key="slots">100</profile>
+    <profile namespace="globus" key="nodeGranularity">1</profile>
+    <profile namespace="globus" key="maxNodes">10</profile>
+    <profile namespace="karajan" key="jobThrottle">25.00</profile>
+    <profile namespace="karajan" key="initialScore">10000</profile>
+    <profile namespace="swift" key="stagingMethod">proxy</profile>
+    <filesystem provider="local"/>
+    <workdirectory>/home/ketan/swift-labs/bionimbus-coaster-modftdock/swift.workdir</workdirectory>
+  </pool>
+</config>
    @@ -1034,22 +1072,26 @@

    Describe coasters mechanisms.

    Following is a nice coasters setup case-study where sites.xml coaster settings were:

    +
    +
    <execution provider="coaster" jobmanager="local:pbs"/>
+<profile namespace="globus" key="project">CI-CCR000013</profile>
+<profile namespace="globus" key="ppn">24:cray:pack</profile>
+<profile namespace="globus" key="workersPerNode">24</profile>
+<profile namespace="globus" key="maxTime">100000</profile>
+<profile namespace="globus" key="lowOverallocation">100</profile>
+<profile namespace="globus" key="highOverallocation">100</profile>
+<profile namespace="globus" key="slots">20</profile>
+<profile namespace="globus" key="nodeGranularity">5</profile>
+<profile namespace="globus" key="maxNodes">5</profile>
+<profile namespace="karajan" key="jobThrottle">20.00</profile>
+<profile namespace="karajan" key="initialScore">10000</profile>
    +
    -
    <execution provider="coaster" jobmanager="local:pbs"/>
-<profile namespace="globus" key="project">CI-CCR000013</profile>
-<profile namespace="globus" key="ppn">24:cray:pack</profile>
-<profile namespace="globus" key="workersPerNode">24</profile>
-<profile namespace="globus" key="maxTime">100000</profile>
-<profile namespace="globus" key="lowOverallocation">100</profile>
-<profile namespace="globus" key="highOverallocation">100</profile>
-<profile namespace="globus" key="slots">20</profile>
-<profile namespace="globus" key="nodeGranularity">5</profile>
-<profile namespace="globus" key="maxNodes">5</profile>
-<profile namespace="karajan" key="jobThrottle">20.00</profile>
-<profile namespace="karajan" key="initialScore">10000</profile>
+
    Your tc entry (shortened here) was:
 
-Your tc entry (shortened here) was:
-
 pbs modftdock /.../modftdock.sh null null GLOBUS::maxwalltime="02:00:00"
 
 And you said you saw in PBS: 13 jobs of 24 hours and 4 jobs of 22 hours. I
@@ -1291,7 +1333,7 @@
 
 

Modified: www/cookbook/cookbook-asciidoc.txt
===================================================================
--- www/cookbook/cookbook-asciidoc.txt	2011-04-26 06:55:46 UTC (rev 4418)
+++ www/cookbook/cookbook-asciidoc.txt	2011-04-26 16:02:55 UTC (rev 4419)
@@ -72,18 +72,19 @@
 Setting up the environment
 [NOTE]
 The environment will be different when using Swift from prebuilt
-distribution and trunk.
-
-    To execute your Swift script on the login host ("localhost") use this
+distribution and trunk. To execute your Swift script on the login host ("localhost") use this
 command: 
 
-     swift -tc.file tc modis.swift
+----
+swift -tc.file tc modis.swift
+----
 
-    To execute your Swift script on the PADS cluster use this command: 
+To execute your Swift script on the PADS cluster use this command: 
 
-     swift -tc.file tc -sites.file pbs.xml modis.swift
+----
+swift -tc.file tc -sites.file pbs.xml modis.swift
+----
 
-
 Setting transformation catalog
 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
 
@@ -93,12 +94,17 @@
 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^
 cf
 
+
 Mappers
 ^^^^^^^^
 SimpleMapper
 
 ----
 com$ cat swiftapply.swift
+----
+
+[java]
+source~~~~
 type RFile;
 trace("hi 1");
 app (RFile result) RunR (RFile rcall)
@@ -114,6 +120,9 @@
   trace("r",i, at filename(results[i]));
   results[i] = RunR(c);
 }
+source~~~~
+
+----
 com$ ls calldir resdir
 calldir:
 rcall.1.Rdata  rcall.2.Rdata  rcall.3.Rdata  rcall.4.Rdata
@@ -144,12 +153,21 @@
 writeData()
 
 example here 
+
 ----
 $ cat writedata.swift
+----
+
+[java]
+source~~~~
 type file;
+
 file f <"filea">;
 file nf <"filenames">;
 nf = writeData(@f);
+source~~~~
+
+----
 $ swift writedata.swift
 Swift svn swift-r3264 (swift modified locally) cog-r2730 (cog modified
 locally)
@@ -158,7 +176,6 @@
 Final status:
 $ cat filenames
 filea$ 
-$ 
 ----
 
 StructuredRegexpMapper
@@ -416,19 +433,31 @@
 //
 Bionimbus
 ~~~~~~~~~
-Swift on Bionimbus
-.very important to read this 
+This section explains a step by step procedure on getting Swift running on the Bionimbus cloud. We will use the _manual_ _coasters_ configuration on the Bionimbus cloud.
 
-contains information on how to connect back to gateway from virtual machines
-using reverse ssh tunneling
+**step1.** Connect to the gateway (ssh gatewayx.lac.uic.edu)
 
-to open a reverse ssh tunnel do the following:
-.from the gateway prompt
+**step2.** Start a virtual machine (euca-run-instances -n 1 -t m1.small
+emi-17EB1170)
 
+**step3.** Start the coaster-service on gateway
++coaster-service -port 1984 -localport 35753 -nosec+
+
+**step4.** Start the Swift-script from the gateway using normal Swift commandline
+
++swift -config cf -tc.file tc -sites.file sites.xml yourscript.swift -aparam=999+
+
+(See below for a sample sites.xml for this run)
+
+**step5.** Connect back to gateway from virtual machines using reverse ssh tunneling as follows:
+ 
+.From the gateway prompt
+
 +ssh -R *:5000:localhost:5000 root at 10.101.8.50 sleep 999+
 
 WHERE:
 *=network interface, should remain the same on all cases
+
 localhost=the gateway host, should remain the same
 
 5000(LEFT OF localhost)=the port number on localhost to listen to **THIS WILL
@@ -436,17 +465,41 @@
 
 5000(RIGHT OF localhost)=the port on target host that you want to forward
 
-root at 10.101.8.50=the ip of the Virtual Machine on bionimbus cloud, this will
+root at 10.101.8.50=the ip of the Virtual Machine on Bionimbus cloud, this will
 vary based on what ip you get for your Virtual Machine instance
 
-+coaster-service -port 1984 -localport 35753 -nosec+
-
 #On anywhere as long as provide the correct callback uri: here the
 "http://140.221.9.110:42195" is the callback uri of previous ones
 
+**step6.** Start the worker from the virtual machine
 +worker.pl http://localhost:42195 tmp /tmp # where 42195 is the port where the
 coaster service is listening to the workers+
 
+.sites.xml for the above run
+
+[xml]
+source~~~~
+
+  
+    
+    passive
+
+    4
+    10000
+    100
+    100
+    100
+    1
+    10
+    25.00
+    10000
+    proxy
+    
+    /home/ketan/swift-labs/bionimbus-coaster-modftdock/swift.workdir
+  
+
+source~~~~
+
 //Magellan
 //~~~~~~~~
 //Swift on Magellan
@@ -457,7 +510,9 @@
 //**Include neat diagrams.**
 
 Following is a nice coasters setup case-study where sites.xml coaster settings were:
-----
+
+[xml]
+source~~~~
 
 CI-CCR000013
 24:cray:pack
@@ -470,7 +525,9 @@
 5
 20.00
 10000
+source~~~~
 
+----
 Your tc entry (shortened here) was:
 
 pbs modftdock /.../modftdock.sh null null GLOBUS::maxwalltime="02:00:00"



From ketan at ci.uchicago.edu  Tue Apr 26 11:51:03 2011
From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu)
Date: Tue, 26 Apr 2011 11:51:03 -0500 (CDT)
Subject: [Swift-commit] r4420 - www/cookbook
Message-ID: <20110426165103.C000E9CCBD@svn.ci.uchicago.edu>

Author: ketan
Date: 2011-04-26 11:51:03 -0500 (Tue, 26 Apr 2011)
New Revision: 4420

Modified:
   www/cookbook/cookbook-asciidoc.html
   www/cookbook/cookbook-asciidoc.txt
Log:
 

Modified: www/cookbook/cookbook-asciidoc.html
===================================================================
--- www/cookbook/cookbook-asciidoc.html	2011-04-26 16:02:55 UTC (rev 4419)
+++ www/cookbook/cookbook-asciidoc.html	2011-04-26 16:51:03 UTC (rev 4420)
@@ -581,8 +581,6 @@
 
    
 
    1. Overview
    
 
    
-
    Swift cookbook overview. Goals of this cookbook. Organization of this
-cookbook. Benefits of cookbook.
    
 
    This cookbook covers various recipes involving running Swift under diverse
 configurations based on the application requirements and underlying
 infrastructures. The SwiftScript language and the Swift runtim system. For
@@ -623,11 +621,19 @@
 Java(TM) SE Runtime Environment (build 1.6.0_11-b03)
 Java HotSpot(TM) 64-Bit Server VM (build 11.0-b16, mixed mode)
    -
    Setting up to run Swift

    This is simple. We will be using a pre-compiled version of Swift that can be downloaded from the following location: http://www.ci.uchicago.edu/swift/packages/swift-0.92.1.tar.gz -. The examples were tested with Java version 1.6 Make sure you don’t already have Swift in your PATH. If you do, remove it, -or remove any +swift or @swift lines from your $HOME/.soft or $HOME/.bash_profile file. Then do: PATH=$PATH:/home/wilde/bigdata/swift/bin - Do NOT set SWIFT_HOME or CLASSPATH in your environment unless you fully -understand how these will affect Swift’s execution

    +
    Setting up to run Swift

    This is simple. We will be using a pre-compiled version of Swift that can be downloaded from the following location:

    +
    +
    +
    http://www.ci.uchicago.edu/swift/packages/swift-0.92.1.tar.gz
    +
    +

    The examples were tested with Java version 1.6. Make sure you do not already have Swift in your PATH. If you do, remove it, +or remove any +swift or @swift lines from your $HOME/.soft or $HOME/.bash_profile file. Then do:

    +
    +
    +
    PATH=$PATH:/home/wilde/bigdata/swift/bin
    +
    +

    Do NOT set SWIFT_HOME or CLASSPATH in your environment unless you fully +understand how these will affect Swift’s execution.

    @@ -1333,7 +1339,7 @@ Modified: www/cookbook/cookbook-asciidoc.txt =================================================================== --- www/cookbook/cookbook-asciidoc.txt 2011-04-26 16:02:55 UTC (rev 4419) +++ www/cookbook/cookbook-asciidoc.txt 2011-04-26 16:51:03 UTC (rev 4420) @@ -8,9 +8,6 @@ Overview -------- -Swift cookbook overview. Goals of this cookbook. Organization of this -cookbook. Benefits of cookbook. - This cookbook covers various recipes involving running Swift under diverse configurations based on the application requirements and underlying infrastructures. The SwiftScript language and the Swift runtim system. For @@ -59,13 +56,22 @@ ---- .Setting up to run Swift -This is simple. We will be using a pre-compiled version of Swift that can be downloaded from the following location: http://www.ci.uchicago.edu/swift/packages/swift-0.92.1.tar.gz -. The examples were tested with Java version 1.6 Make sure you don't already have Swift in your PATH. If you do, remove it, -or remove any +swift or @swift lines from your $HOME/.soft or $HOME/.bash_profile file. Then do: PATH=$PATH:/home/wilde/bigdata/swift/bin - Do NOT set SWIFT_HOME or CLASSPATH in your environment unless you fully -understand how these will affect Swift's execution +This is simple. We will be using a pre-compiled version of Swift that can be downloaded from the following location: +---- +http://www.ci.uchicago.edu/swift/packages/swift-0.92.1.tar.gz +---- +The examples were tested with Java version 1.6. Make sure you do not already have Swift in your PATH. If you do, remove it, +or remove any +swift or @swift lines from your $HOME/.soft or $HOME/.bash_profile file. Then do: +---- +PATH=$PATH:/home/wilde/bigdata/swift/bin +---- + +Do NOT set SWIFT_HOME or CLASSPATH in your environment unless you fully +understand how these will affect Swift's execution. + + Environment Setup ~~~~~~~~~~~~~~~~~ From wozniak at ci.uchicago.edu Tue Apr 26 15:32:18 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Tue, 26 Apr 2011 15:32:18 -0500 (CDT) Subject: [Swift-commit] r4421 - trunk/libexec/log-processing Message-ID: <20110426203218.2F2B69CCBD@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-26 15:32:18 -0500 (Tue, 26 Apr 2011) New Revision: 4421 Modified: trunk/libexec/log-processing/extract-start-time Log: Simplify this script Modified: trunk/libexec/log-processing/extract-start-time =================================================================== --- trunk/libexec/log-processing/extract-start-time 2011-04-26 16:51:03 UTC (rev 4420) +++ trunk/libexec/log-processing/extract-start-time 2011-04-26 20:32:18 UTC (rev 4421) @@ -1,26 +1,16 @@ #!/bin/sh -/bin/pwd 1>&2 +# Extract start time in unix time from original Swift log -rm -f tmp-extract-starttime2 - -if [[ $LOG == "" ]] ; then +if [[ $LOG == "" ]] ; then LOG=$1 fi -if [ "X$LOG" != "X" ] ; then - head $LOG | iso-to-secs >> tmp-extract-starttime2 -else - echo "No LOG given!" +if [ "X$LOG" == "X" ] ; then + echo "extract-start-time: no LOG given!" 1>&2 exit 1 fi -# for e in *.event ; do -# head -n 1 $e >> tmp-extract-starttime2 -# done +start=$( head $LOG | iso-to-secs | cut -f 1 -d ' ' | sort -n | head -1 ) -sort -n < tmp-extract-starttime2 >tmp-extract-starttime - -read st rest < tmp-extract-starttime - -echo $st +echo $start From wozniak at ci.uchicago.edu Tue Apr 26 15:48:26 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Tue, 26 Apr 2011 15:48:26 -0500 (CDT) Subject: [Swift-commit] r4422 - trunk/libexec/log-processing Message-ID: <20110426204826.B50F09CC82@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-26 15:48:26 -0500 (Tue, 26 Apr 2011) New Revision: 4422 Added: trunk/libexec/log-processing/normalize-log.pl Log: Adding Added: trunk/libexec/log-processing/normalize-log.pl =================================================================== --- trunk/libexec/log-processing/normalize-log.pl (rev 0) +++ trunk/libexec/log-processing/normalize-log.pl 2011-04-26 20:48:26 UTC (rev 4422) @@ -0,0 +1,26 @@ +#!/usr/bin/perl + +# INPUT: two files: the first contains the start time +# and the second contains the log file with unix timestamps + +# OUTPUT: stdout: the log file with timestamps normalized +# to the start time + +$TIME = $ARGV[0]; +$LOG = $ARGV[1]; + +my $earliesttime; + +open(START, $TIME) || die "$!\n"; +read(FH, $earliesttime, 64); +close START; + +open(LOG, $LOG) || die "$!\n"; + +foreach $n () { + $n =~ /^([^ ]*) (.*)$/ ; + $delta = $1 - $earliesttime; + print "$delta $2\n"; +} + +close LOG; Property changes on: trunk/libexec/log-processing/normalize-log.pl ___________________________________________________________________ Name: svn:executable + * From wozniak at ci.uchicago.edu Tue Apr 26 16:07:49 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Tue, 26 Apr 2011 16:07:49 -0500 (CDT) Subject: [Swift-commit] r4423 - trunk/libexec/log-processing Message-ID: <20110426210749.6F1469CC82@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-26 16:07:49 -0500 (Tue, 26 Apr 2011) New Revision: 4423 Modified: trunk/libexec/log-processing/cpu-jobs-complete.pl Log: Correct notes Modified: trunk/libexec/log-processing/cpu-jobs-complete.pl =================================================================== --- trunk/libexec/log-processing/cpu-jobs-complete.pl 2011-04-26 20:48:26 UTC (rev 4422) +++ trunk/libexec/log-processing/cpu-jobs-complete.pl 2011-04-26 21:07:49 UTC (rev 4423) @@ -1,8 +1,7 @@ #!/usr/bin/perl -# Accumulate the load level at each point in time +# Accumulate number of completed jobs at each point in time # INPUT: A Swift log file with Coasters messages: -# timestamp ... Cpu ... submitting ... # timestamp ... Cpu ... jobTerminated ... # where timestamp is a number # OUTPUT: lines formatted as "timestamp count" From wozniak at ci.uchicago.edu Tue Apr 26 16:24:10 2011 From: wozniak at ci.uchicago.edu (wozniak at ci.uchicago.edu) Date: Tue, 26 Apr 2011 16:24:10 -0500 (CDT) Subject: [Swift-commit] r4424 - trunk/libexec/log-processing Message-ID: <20110426212410.9E9FA9CC82@svn.ci.uchicago.edu> Author: wozniak Date: 2011-04-26 16:24:10 -0500 (Tue, 26 Apr 2011) New Revision: 4424 Modified: trunk/libexec/log-processing/README.txt Log: Update log-processing documentation Modified: trunk/libexec/log-processing/README.txt =================================================================== --- trunk/libexec/log-processing/README.txt 2011-04-26 21:07:49 UTC (rev 4423) +++ trunk/libexec/log-processing/README.txt 2011-04-26 21:24:10 UTC (rev 4424) @@ -4,8 +4,8 @@ To properly generate log plots, you must enable VDL/Karajan logging. -You should check the scripts that you intend to use to determine -what log lines they require and ensure that you are generating +You should check the scripts that you intend to use to determine +what log lines they require and ensure that you are generating those lines via log4j.properties Make sure log4.properties contains: @@ -13,88 +13,83 @@ log4j.logger.swift=DEBUG -------------------------------------- -Make a basic load plot from Coasters Cpu log lines -^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ -. Generate the log (may set log4j.logger.swift=INFO for this one) -(assuming the log is titled swift-run.log) +Normalize event times in the log to the run start time +------------------------------------------------------ -. Convert the log times to Unix time ------------------------------------------- -./iso-to-secs < swift-run.log > swift-run.time +* Generate the log, assuming the log is titled +swift-run.log+ -. Make the start time file (this contains the earliest timestamp) ------------------------------------------ -make LOG=swift-run.log start-time.tmp +make -f libexec/log-processing/makefile.implicit swift-run.plot.norm ------------------------------------------ -or ------------------------------------------- -extract-start-time swift-run.log > start-time.tmp ------------------------------------------- -. Normalize the transition times ------------------------------------------- -./normalise-event-start-time < swift-run.time > swift-run.norm ------------------------------------------- +Make a basic load plot from Coasters Cpu log lines +-------------------------------------------------- +. Normalize the log. . Build up a load data file: ++ ------------------------------------------ ./cpu-job-load.pl < swift-run.norm > load.data ------------------------------------------ - . Plot with the JFreeChart-based plotter in usertools/plotter: ++ ------------------------------------------ lines.zsh load.cfg load.eps load.data ------------------------------------------ Make a basic job completion plot from Coasters Cpu log lines -^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ +------------------------------------------------------------ -Same as above, but: +. Normalize the log. -[start=5] . Build up a completed data file: ++ ------------------------------------------ ./cpu-job-completed.pl < swift-run.norm > completed.data ------------------------------------------ . Plot with the JFreeChart-based plotter in usertools/plotter: ++ ------------------------------------------ lines.zsh completed.cfg completed.eps completed.data ------------------------------------------ Make a basic Block allocation plot from Coasters Block log lines -^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ +---------------------------------------------------------------- -Same as above, but: +. Normalize the log. -[start=5] . Build up a block allocation data file: ++ ------------------------------------------ ./block-level.pl < swift-run.norm > blocks.data ------------------------------------------ . Plot with the JFreeChart-based plotter in usertools/plotter: ++ ------------------------------------------ lines.zsh blocks.{cfg,eps,data} ------------------------------------------ Make a job runtime distribution plot from Coasters Cpu log lines -^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ +---------------------------------------------------------------- -Same as above, but: +. Normalize the log. -[start=5] -. Build up a job runtime file: +. Build up a job runtime file: ++ ------------------------------------------ ./extract-times.pl < swift-run.norm > times.data ------------------------------------------ -. Put the job runtimes into 1-second buckets: +. Put the job runtimes into 1-second buckets: ++ ------------------------------------------ ./ buckets.pl 1 times.data > buckets.data ------------------------------------------ . Plot with the JFreeChart-based plotter in usertools/plotter: ++ ------------------------------------------ lines.zsh buckets.cfg buckets.eps buckets.data ------------------------------------------ From skenny at ci.uchicago.edu Tue Apr 26 21:32:18 2011 From: skenny at ci.uchicago.edu (skenny at ci.uchicago.edu) Date: Tue, 26 Apr 2011 21:32:18 -0500 (CDT) Subject: [Swift-commit] r4425 - trunk/tests/providers/local-pbs-coasters/beagle Message-ID: <20110427023218.2350E9CCBD@svn.ci.uchicago.edu> Author: skenny Date: 2011-04-26 21:32:17 -0500 (Tue, 26 Apr 2011) New Revision: 4425 Modified: trunk/tests/providers/local-pbs-coasters/beagle/sites.template.xml Log: adding project and queue variables to template Modified: trunk/tests/providers/local-pbs-coasters/beagle/sites.template.xml =================================================================== --- trunk/tests/providers/local-pbs-coasters/beagle/sites.template.xml 2011-04-26 21:24:10 UTC (rev 4424) +++ trunk/tests/providers/local-pbs-coasters/beagle/sites.template.xml 2011-04-27 02:32:17 UTC (rev 4425) @@ -20,7 +20,8 @@ batch 5.99 10000 - CI-MCB000021 + _PROJECT_ + _QUEUE_ {wdir} From skenny at ci.uchicago.edu Tue Apr 26 21:35:08 2011 From: skenny at ci.uchicago.edu (skenny at ci.uchicago.edu) Date: Tue, 26 Apr 2011 21:35:08 -0500 (CDT) Subject: [Swift-commit] r4426 - trunk/tests/groups Message-ID: <20110427023508.5A52C9CCBD@svn.ci.uchicago.edu> Author: skenny Date: 2011-04-26 21:35:08 -0500 (Tue, 26 Apr 2011) New Revision: 4426 Added: trunk/tests/groups/crayxt-pbs-coasters.sh Log: for testing on beagle Added: trunk/tests/groups/crayxt-pbs-coasters.sh =================================================================== --- trunk/tests/groups/crayxt-pbs-coasters.sh (rev 0) +++ trunk/tests/groups/crayxt-pbs-coasters.sh 2011-04-27 02:35:08 UTC (rev 4426) @@ -0,0 +1,7 @@ + +# GROUPLIST definition to run pbs tests + +GROUPLIST=( + $TESTDIR/providers/local-pbs-coasters \ + $TESTDIR/providers/local-pbs-coasters/beagle \ +) From ketan at ci.uchicago.edu Wed Apr 27 11:10:09 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Wed, 27 Apr 2011 11:10:09 -0500 (CDT) Subject: [Swift-commit] r4427 - www/cookbook Message-ID: <20110427161009.8CCF59CC80@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-27 11:10:09 -0500 (Wed, 27 Apr 2011) New Revision: 4427 Modified: www/cookbook/cookbook-asciidoc.html www/cookbook/cookbook-asciidoc.txt Log: Modified: www/cookbook/cookbook-asciidoc.html =================================================================== --- www/cookbook/cookbook-asciidoc.html 2011-04-27 02:35:08 UTC (rev 4426) +++ www/cookbook/cookbook-asciidoc.html 2011-04-27 16:10:09 UTC (rev 4427) @@ -581,11 +581,12 @@

    1. Overview

    -

    This cookbook covers various recipes involving running Swift under diverse -configurations based on the application requirements and underlying -infrastructures. The SwiftScript language and the Swift runtim system. For -introductory material, consult the Swift tutorial.

    -

    Swift is a data-oriented coarse grained scripting language that supports +

    This cookbook covers various recipes involving setting up and running Swift under diverse +configurations based on the application requirements and the underlying +infrastructures. The Swift system comprises of SwiftScript language and the Swift runtime system. For +introductory material, consult the Swift tutorial found +here.

    +

    Swift is a data-oriented coarse grained parallel scripting language that supports dataset typing and mapping, dataset iteration, conditional branching, and procedural composition.

    Swift programs (or workflows) are written in a language called SwiftScript.

    @@ -632,10 +633,17 @@ 
    PATH=$PATH:/home/wilde/bigdata/swift/bin
    -

    Do NOT set SWIFT_HOME or CLASSPATH in your environment unless you fully -understand how these will affect Swift’s execution.

    +
    + + + +
    +
    Warning
    +    		Do NOT set SWIFT_HOME or CLASSPATH in your environment unless you fully +understand how these will affect Swift’s execution.
    +

    2.2. Environment Setup

    Setting up the environment

    @@ -645,19 +653,14 @@
    Note
    The environment will be different when using Swift from prebuilt -distribution and trunk. To execute your Swift script on the login host ("localhost") use this -command: +distribution and trunk. To execute your Swift script on a login host (or "localhost") use the +following command:
    -
    swift -tc.file tc modis.swift
    +
    swift -tc.file tc somescript.swift
    -

    To execute your Swift script on the PADS cluster use this command:

    -
    -
    -
    swift -tc.file tc -sites.file pbs.xml modis.swift
    -

    2.2.1. Setting transformation catalog

    tc

    @@ -1010,7 +1013,33 @@ will get fast prioritized execution. Good for small tests

    -

    3.2. OSG

    +

    3.2. PADS

    +

    Swift on PADS +To execute your Swift script on the PADS cluster use this command:

    +
    +
    +
    swift -tc.file tc -sites.file pbs.xml modis.swift
    +
    +

    where the contents of a simple pbs.xml sites file could be:

    +
    +
    +
    <config>
+  <pool handle="pbs">
+    <execution provider="pbs" url="none"/>
+    <profile namespace="globus" key="queue">fast</profile>
+    <profile namespace="globus" key="maxwalltime">00:05:00</profile>
+    <profile namespace="karajan" key="initialScore">10000</profile>
+    <profile namespace="karajan" key="jobThrottle">.10</profile>
+    <filesystem provider="local"/>
+    <workdirectory >/home/you/swiftwork</workdirectory>
+  </pool>
+</config>
    +
    +
    +

    3.3. OSG

    Coaster setup @@ -1019,7 +1048,7 @@
    -

    3.3. Bionimbus

    +

    3.4. Bionimbus

    This section explains a step by step procedure on getting Swift running on the Bionimbus cloud. We will use the manual coasters configuration on the Bionimbus cloud.

    step1. Connect to the gateway (ssh gatewayx.lac.uic.edu)

    step2. Start a virtual machine (euca-run-instances -n 1 -t m1.small @@ -1339,7 +1368,7 @@

    Modified: www/cookbook/cookbook-asciidoc.txt =================================================================== --- www/cookbook/cookbook-asciidoc.txt 2011-04-27 02:35:08 UTC (rev 4426) +++ www/cookbook/cookbook-asciidoc.txt 2011-04-27 16:10:09 UTC (rev 4427) @@ -8,12 +8,13 @@ Overview -------- -This cookbook covers various recipes involving running Swift under diverse -configurations based on the application requirements and underlying -infrastructures. The SwiftScript language and the Swift runtim system. For -introductory material, consult the Swift tutorial. +This cookbook covers various recipes involving setting up and running Swift under diverse +configurations based on the application requirements and the underlying +infrastructures. The Swift system comprises of SwiftScript language and the Swift runtime system. For +introductory material, consult the Swift tutorial found +link:http://www.ci.uchicago.edu/swift/guides/tutorial.php[here]. -Swift is a data-oriented coarse grained scripting language that supports +Swift is a data-oriented coarse grained parallel scripting language that supports dataset typing and mapping, dataset iteration, conditional branching, and procedural composition. @@ -68,29 +69,22 @@ PATH=$PATH:/home/wilde/bigdata/swift/bin ---- -Do NOT set SWIFT_HOME or CLASSPATH in your environment unless you fully +WARNING: Do NOT set SWIFT_HOME or CLASSPATH in your environment unless you fully understand how these will affect Swift's execution. - Environment Setup ~~~~~~~~~~~~~~~~~ Setting up the environment [NOTE] The environment will be different when using Swift from prebuilt -distribution and trunk. To execute your Swift script on the login host ("localhost") use this -command: +distribution and trunk. To execute your Swift script on a login host (or "localhost") use the +following command: ---- -swift -tc.file tc modis.swift +swift -tc.file tc somescript.swift ---- -To execute your Swift script on the PADS cluster use this command: - ----- -swift -tc.file tc -sites.file pbs.xml modis.swift ----- - Setting transformation catalog ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ @@ -427,10 +421,31 @@ //~~~~~~~~~~~~~ //Swift on Intrepid-BG/P // -//PADS -//~~~~ -//Swift on PADS -// + +PADS +~~~~ +Swift on PADS +To execute your Swift script on the PADS cluster use this command: + +---- +swift -tc.file tc -sites.file pbs.xml modis.swift +---- +where the contents of a simple pbs.xml sites file could be: +[xml] +source~~~~ + + + + fast + 00:05:00 + 10000 + .10 + + /home/you/swiftwork + + +source~~~~ + OSG ~~~ .Coaster setup on OSG From ketan at ci.uchicago.edu Wed Apr 27 11:58:43 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Wed, 27 Apr 2011 11:58:43 -0500 (CDT) Subject: [Swift-commit] r4428 - SwiftApps/modFTDock Message-ID: <20110427165843.37CEF9CC92@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-27 11:58:43 -0500 (Wed, 27 Apr 2011) New Revision: 4428 Added: SwiftApps/modFTDock/pdb.list Modified: SwiftApps/modFTDock/pdb.list.1 Log: Added: SwiftApps/modFTDock/pdb.list =================================================================== --- SwiftApps/modFTDock/pdb.list (rev 0) +++ SwiftApps/modFTDock/pdb.list 2011-04-27 16:58:43 UTC (rev 4428) @@ -0,0 +1,49 @@ +1cdz-1b +1cr8-1b +1dv0-1b +1mfg-1b +1mil-1b +1mj4-1b +1oxn-4b +1oxn-5b +1oxn-6b +1wgl-1b +1wm2-1b +1xed-3b +2cq7-1b +2cwb-1b +2did-1b +2e3v-1b +2e3v-2b +2e3v-3b +2g7r-1b +2g7r-2b +2jil-1b +2kb9-1b +2kqb-1b +2ksg-1b +2pe8-1b +2pnt-1b +2pnt-2b +2v3s-1b +2v3s-2b +2vc8-1b +2x57-3b +2x57-4b +2x7a-2b +2yy0-1b +2yy0-2b +2z0b-2b +3brt-3b +3brt-4b +3brt-5b +3eq5-3b +3eq5-4b +3eq5-5b +3eq5-9b +3fxt-3b +3fxt-5b +3iez-1b +3isu-1b +3kgr-1b +3ktr-1b Modified: SwiftApps/modFTDock/pdb.list.1 =================================================================== --- SwiftApps/modFTDock/pdb.list.1 2011-04-27 16:10:09 UTC (rev 4427) +++ SwiftApps/modFTDock/pdb.list.1 2011-04-27 16:58:43 UTC (rev 4428) @@ -1 +1 @@ -1cr8-1 +1cdz-1b From ketan at ci.uchicago.edu Wed Apr 27 12:49:46 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Wed, 27 Apr 2011 12:49:46 -0500 (CDT) Subject: [Swift-commit] r4430 - trunk/libexec/log-processing Message-ID: <20110427174946.05B499CC80@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-27 12:49:45 -0500 (Wed, 27 Apr 2011) New Revision: 4430 Modified: trunk/libexec/log-processing/normalise-event-start-time trunk/libexec/log-processing/plotfromoutput Log: Modified: trunk/libexec/log-processing/normalise-event-start-time =================================================================== --- trunk/libexec/log-processing/normalise-event-start-time 2011-04-27 17:28:58 UTC (rev 4429) +++ trunk/libexec/log-processing/normalise-event-start-time 2011-04-27 17:49:45 UTC (rev 4430) @@ -1,4 +1,4 @@ #!/bin/bash -normalise-event-start-time-to-any $(cat start-time.tmp) +./normalise-event-start-time-to-any $(cat start-time.tmp) Modified: trunk/libexec/log-processing/plotfromoutput =================================================================== --- trunk/libexec/log-processing/plotfromoutput 2011-04-27 17:28:58 UTC (rev 4429) +++ trunk/libexec/log-processing/plotfromoutput 2011-04-27 17:49:45 UTC (rev 4430) @@ -4,6 +4,7 @@ if [ $# -ne 1 ] then echo "usage: $0 pathofoutputfolder " +exit fi outputfolderpath=$1 @@ -20,7 +21,7 @@ ls -ltr ${outputfolderpath} | tail +2 | cut -d" " -f6-7 | cut -c 9-16 | tr ' ' ':' > output_times.txt -counter=0 +counter=1 fline=`head -1 output_times.txt` From ketan at ci.uchicago.edu Wed Apr 27 13:03:09 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Wed, 27 Apr 2011 13:03:09 -0500 (CDT) Subject: [Swift-commit] r4431 - trunk/libexec/log-processing Message-ID: <20110427180309.1559D9CC80@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-27 13:03:08 -0500 (Wed, 27 Apr 2011) New Revision: 4431 Modified: trunk/libexec/log-processing/plotfromoutput Log: Modified: trunk/libexec/log-processing/plotfromoutput =================================================================== --- trunk/libexec/log-processing/plotfromoutput 2011-04-27 17:49:45 UTC (rev 4430) +++ trunk/libexec/log-processing/plotfromoutput 2011-04-27 18:03:08 UTC (rev 4431) @@ -21,14 +21,14 @@ ls -ltr ${outputfolderpath} | tail +2 | cut -d" " -f6-7 | cut -c 9-16 | tr ' ' ':' > output_times.txt -counter=1 +counter=0 fline=`head -1 output_times.txt` initmin=`echo ${fline} | cut -d':' -f3` inithour=`echo ${fline} | cut -d':' -f2` initday=`echo ${fline} | cut -d':' -f1` -indexhr=0 +indexhr=1 hourchange="false" for line in `cat output_times.txt` From skenny at ci.uchicago.edu Wed Apr 27 13:12:25 2011 From: skenny at ci.uchicago.edu (skenny at ci.uchicago.edu) Date: Wed, 27 Apr 2011 13:12:25 -0500 (CDT) Subject: [Swift-commit] r4432 - tags/release-0.92.1/tests Message-ID: <20110427181225.692F79CC80@svn.ci.uchicago.edu> Author: skenny Date: 2011-04-27 13:12:25 -0500 (Wed, 27 Apr 2011) New Revision: 4432 Modified: tags/release-0.92.1/tests/sitetester Log: successfully runs site tests on ranger and beagle Modified: tags/release-0.92.1/tests/sitetester =================================================================== --- tags/release-0.92.1/tests/sitetester 2011-04-27 18:03:08 UTC (rev 4431) +++ tags/release-0.92.1/tests/sitetester 2011-04-27 18:12:25 UTC (rev 4432) @@ -10,19 +10,20 @@ class Site: - def __init__(self,login,logtype,workdir,queue,project): + def __init__(self,login,logtype,workdir,queue,project,test): self.login = login self.logintype = logtype self.workdir = workdir self.queue = queue self.project = project + self.test = test - def testSite(self,cogv,swiftv,test_type): - cmdline = self.logintype+" "+self.login+" "+self.workdir+"/run-nightly.sh "+self.workdir+"/"+test_type+" "+self.workdir+" "+self.queue+" "+self.project+" "+cogv+" "+swiftv + def testSite(self,cogv,swiftv): + cmdline = self.logintype+" "+self.login+" "+self.workdir+"/run-suite.sh "+self.workdir+"/"+self.test+" "+self.workdir+" "+self.queue+" "+self.project+" "+cogv+" "+swiftv print "running......"+cmdline res = commands.getoutput(cmdline) print res - cmdline2 = "scp -r "+s+":"+rundir+" ." + cmdline2 = "scp -r "+self.login+":"+rundir+" ." res2 = commands.getoutput(cmdline) @@ -32,28 +33,30 @@ sites = [] -s_logins = ['skenny at login2.pads.ci.uchicago.edu','login-abe.ncsa.teragrid.org','login1-qb.loni-lsu.teragrid.org'] -logintype = ['ssh','gsissh','gsissh'] -workdirs = ['/home/skenny/swift_runs/tests','/u/ac/skenny/swift_runs/tests','/home/skenny/swift_runs/tests'] -queues = ['short','debug','workq'] -projects = ['CI-IBN000039','TG-DBS080004N','TG-DBS080004N'] +s_logins = ['login.beagle.ci.uchicago.edu','tg457040 at tg-login.ranger.tacc.teragrid.org'] +logintype = ['ssh','ssh','ssh'] +#workdirs = ['/home/skenny/swift_runs/beagle/cog/modules/swift/tests'] +workdirs = ['/home/skenny/cog/modules/swift/tests','/work/00043/tg457040/cog/modules/swift/tests'] +queues = ['batch','development'] +projects = ['CI-IBN000039','TG-DBS080004N'] -test_type = "groups/local-pbs-coasters.sh" -cogv = 'branches/4.1.8' -swiftv = 'branches/release-0.92' +test_type = ['groups/crayxt-pbs-coasters.sh','groups/local-sge-coasters.sh'] +cogv = 'tags/swift_0.92.1' +swiftv = 'tags/release-0.92.1' rundir = commands.getoutput('date +\"%Y-%m-%d\"') rundir = "run-"+rundir for idx,s in enumerate(s_logins): - sites.append(Site(s,logintype[idx],workdirs[idx],queues[idx],projects[idx])) + sites.append(Site(s,logintype[idx],workdirs[idx],queues[idx],projects[idx],test_type[idx])) # loop over all or run single -sites[1].testSite(cogv,swiftv,test_type) -sites[2].testSite(cogv,swiftv,test_type) +for s in sites: + s.testSite(cogv,swiftv) + From ketan at ci.uchicago.edu Wed Apr 27 23:34:03 2011 From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu) Date: Wed, 27 Apr 2011 23:34:03 -0500 (CDT) Subject: [Swift-commit] r4433 - www/cookbook Message-ID: <20110428043403.B90559CC92@svn.ci.uchicago.edu> Author: ketan Date: 2011-04-27 23:34:03 -0500 (Wed, 27 Apr 2011) New Revision: 4433 Modified: www/cookbook/cookbook-asciidoc.html www/cookbook/cookbook-asciidoc.txt Log: Modified: www/cookbook/cookbook-asciidoc.html =================================================================== --- www/cookbook/cookbook-asciidoc.html 2011-04-27 18:12:25 UTC (rev 4432) +++ www/cookbook/cookbook-asciidoc.html 2011-04-28 04:34:03 UTC (rev 4433) @@ -583,7 +583,8 @@

    This cookbook covers various recipes involving setting up and running Swift under diverse configurations based on the application requirements and the underlying -infrastructures. The Swift system comprises of SwiftScript language and the Swift runtime system. For +infrastructures. The Swift system comprises of SwiftScript language and the +Swift runtime system. For introductory material, consult the Swift tutorial found here.

    Swift is a data-oriented coarse grained parallel scripting language that supports @@ -608,7 +609,8 @@

    2.1.1. Prerequisites

    Check your Java

    Swift is a Java application. Make sure you are running Java version 5 or higher. You -can make sure you have Java in your $PATH (or $HOME/.soft file depending upon your environment)

    +can make sure you have Java in your $PATH (or $HOME/.soft file depending upon +your environment)

    Following are the possible ways to detect and run Java:

    @@ -622,13 +624,15 @@ Java(TM) SE Runtime Environment (build 1.6.0_11-b03) Java HotSpot(TM) 64-Bit Server VM (build 11.0-b16, mixed mode)
    -
    Setting up to run Swift

    This is simple. We will be using a pre-compiled version of Swift that can be downloaded from the following location:

    +
    Setting up to run Swift

    This is simple. We will be using a pre-compiled version of Swift that can be +downloaded from the following location:

    http://www.ci.uchicago.edu/swift/packages/swift-0.92.1.tar.gz
    -

    The examples were tested with Java version 1.6. Make sure you do not already have Swift in your PATH. If you do, remove it, -or remove any +swift or @swift lines from your $HOME/.soft or $HOME/.bash_profile file. Then do:

    +

    The examples were tested with Java version 1.6. Make sure you do not already +have Swift in your PATH. If you do, remove it, or remove any +swift or @swift +lines from your $HOME/.soft or $HOME/.bash_profile file. Then do:

    PATH=$PATH:/home/wilde/bigdata/swift/bin
    @@ -638,8 +642,8 @@
    Warning
    -Do NOT set SWIFT_HOME or CLASSPATH in your environment unless you fully -understand how these will affect Swift’s execution. +Do NOT set SWIFT_HOME or CLASSPATH in your environment unless you +fully understand how these will affect Swift’s execution.
    @@ -652,9 +656,9 @@
    Note
    -The environment will be different when using Swift from prebuilt -distribution and trunk. To execute your Swift script on a login host (or "localhost") use the -following command: +The environment will be different when using Swift from prebuilt distribution +and trunk. To execute your Swift script on a login host (or "localhost") use +the following command:
    @@ -1040,16 +1044,22 @@

    3.3. OSG

    +

    This section describes how to get Swift running on the OSG Grid. We will use a +manual coaster setup to get Swift running on OSG.

    +
    Coaster setup on OSG

    The following figure shows an abstract scheme for the manual coasters setup on +OSG.

    Coaster setup
    -
    Figure 1. Coaster setup on OSG
    +

    In the following steps, we will go through the process of manually setting

    3.4. Bionimbus

    -

    This section explains a step by step procedure on getting Swift running on the Bionimbus cloud. We will use the manual coasters configuration on the Bionimbus cloud.

    +

    This section explains a step by step procedure on getting Swift running on the +Bionimbus cloud. We will use the manual coasters configuration on the +Bionimbus cloud.

    step1. Connect to the gateway (ssh gatewayx.lac.uic.edu)

    step2. Start a virtual machine (euca-run-instances -n 1 -t m1.small emi-17EB1170)

    @@ -1182,11 +1192,11 @@

    1. -One of the main reason that one would initially deviate from coaster defaults -into more complex pool entries is to force jobs to fit into some site-imposed -constraint. For instance a typical submission to the experimental queue requires a user to -request upto 3 nodes for under 1 hour. This setup could be achieved with a -careful tuning of coaters parameters. +One of the main reason that one would initially deviate from coaster +defaults into more complex pool entries is to force jobs to fit into some +site-imposed constraint. For instance a typical submission to the experimental +queue requires a user to request upto 3 nodes for under 1 hour. This setup +could be achieved with a careful tuning of coaters parameters.

    @@ -1236,7 +1246,8 @@

    6. Log Processing

    -

    To properly generate log plots, you must enable VDL/Karajan logging. Make sure log4.properties contains:

    +

    To properly generate log plots, you must enable VDL/Karajan logging. Make sure +log4.properties contains:

    log4j.logger.swift=DEBUG
@@ -1368,7 +1379,7 @@
 
 

Modified: www/cookbook/cookbook-asciidoc.txt
===================================================================
--- www/cookbook/cookbook-asciidoc.txt	2011-04-27 18:12:25 UTC (rev 4432)
+++ www/cookbook/cookbook-asciidoc.txt	2011-04-28 04:34:03 UTC (rev 4433)
@@ -10,7 +10,8 @@
 --------
 This cookbook covers various recipes involving setting up and running Swift under diverse
 configurations based on the application requirements and the underlying
-infrastructures. The Swift system comprises of SwiftScript language and the Swift runtime system. For
+infrastructures. The Swift system comprises of SwiftScript language and the
+Swift runtime system. For
 introductory material, consult the Swift tutorial found 
 link:http://www.ci.uchicago.edu/swift/guides/tutorial.php[here].
 
@@ -40,7 +41,8 @@
 ^^^^^^^^^^^^^^
 .Check your Java
 Swift is a Java application. Make sure you are running Java version 5 or higher. You
-can make sure you have Java in your $PATH (or $HOME/.soft file depending upon your environment) 
+can make sure you have Java in your $PATH (or $HOME/.soft file depending upon
+your environment) 
 
 Following are the possible ways to detect and run Java:
 
@@ -57,29 +59,31 @@
 ----
 
 .Setting up to run Swift
-This is simple. We will be using a pre-compiled version of Swift that can be downloaded from the following location: 
+This is simple. We will be using a pre-compiled version of Swift that can be
+downloaded from the following location: 
 ----
 http://www.ci.uchicago.edu/swift/packages/swift-0.92.1.tar.gz
 ----
 
-The examples were tested with Java version 1.6. Make sure you do not already have Swift in your PATH. If you do, remove it,
-or remove any +swift or @swift lines from your $HOME/.soft or $HOME/.bash_profile file. Then do: 
+The examples were tested with Java version 1.6. Make sure you do not already
+have Swift in your PATH. If you do, remove it, or remove any +swift or @swift
+lines from your $HOME/.soft or $HOME/.bash_profile file. Then do: 
 
 ----
 PATH=$PATH:/home/wilde/bigdata/swift/bin
 ----
 
-WARNING: Do NOT set SWIFT_HOME or CLASSPATH in your environment unless you fully
-understand how these will affect Swift's execution.
+WARNING: Do NOT set SWIFT_HOME or CLASSPATH in your environment unless you
+fully understand how these will affect Swift's execution.
 
 Environment Setup
 ~~~~~~~~~~~~~~~~~
 
 Setting up the environment
 [NOTE]
-The environment will be different when using Swift from prebuilt
-distribution and trunk. To execute your Swift script on a login host (or "localhost") use the
-following command: 
+The environment will be different when using Swift from prebuilt distribution
+and trunk. To execute your Swift script on a login host (or "localhost") use
+the following command: 
 
 ----
 swift -tc.file tc somescript.swift
@@ -446,15 +450,27 @@
 
 source~~~~
 
+
 OSG
 ~~~
+This section describes how to get Swift running on the OSG Grid. We will use a
+manual coaster setup to get Swift running on OSG.
+
 .Coaster setup on OSG
+The following figure shows an abstract scheme for the manual coasters setup on
+OSG.
+
 image::figures/coaster_setup.png[Coaster setup]
+
+In the following steps, we will go through the process of manually setting 
 //Swift on OSG 
 //
+
 Bionimbus
 ~~~~~~~~~
-This section explains a step by step procedure on getting Swift running on the Bionimbus cloud. We will use the _manual_ _coasters_ configuration on the Bionimbus cloud.
+This section explains a step by step procedure on getting Swift running on the
+Bionimbus cloud. We will use the _manual_ _coasters_ configuration on the
+Bionimbus cloud.
 
 **step1.** Connect to the gateway (ssh gatewayx.lac.uic.edu)
 
@@ -624,11 +640,11 @@
 
 //Coasters for advanced users. Getting your hands dirty.
 
-. One of the main reason that one would initially deviate from coaster defaults
-into more complex pool entries is to force jobs to fit into some site-imposed
-constraint. For instance a typical submission to the experimental queue requires a user to
-request upto 3 nodes for under 1 hour. This setup could be achieved with a
-careful tuning of coaters parameters.
+. One of the main reason that one would initially deviate from coaster
+defaults into more complex pool entries is to force jobs to fit into some
+site-imposed constraint. For instance a typical submission to the experimental
+queue requires a user to request upto 3 nodes for under 1 hour. This setup
+could be achieved with a careful tuning of coaters parameters.
 
 //How to run Swift under different Coasters configurations
 //~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@@ -674,7 +690,8 @@
 Log Processing
 ---------------
 
-To properly generate log plots, you must enable VDL/Karajan logging. Make sure log4.properties contains:
+To properly generate log plots, you must enable VDL/Karajan logging. Make sure
+log4.properties contains:
 ----
 log4j.logger.swift=DEBUG
 log4j.logger.org.globus.cog.abstraction.coaster.service.job.manager.Cpu=DEBUG



From tga at ci.uchicago.edu  Thu Apr 28 11:14:22 2011
From: tga at ci.uchicago.edu (tga at ci.uchicago.edu)
Date: Thu, 28 Apr 2011 11:14:22 -0500 (CDT)
Subject: [Swift-commit] r4434 - SwiftApps/SwiftR
Message-ID: <20110428161422.0C0CC9CC82@svn.ci.uchicago.edu>

Author: tga
Date: 2011-04-28 11:14:21 -0500 (Thu, 28 Apr 2011)
New Revision: 4434

Modified:
   SwiftApps/SwiftR/IMMEDIATE-TODO
Log:
updating task list.


Modified: SwiftApps/SwiftR/IMMEDIATE-TODO
===================================================================
--- SwiftApps/SwiftR/IMMEDIATE-TODO	2011-04-28 04:34:03 UTC (rev 4433)
+++ SwiftApps/SwiftR/IMMEDIATE-TODO	2011-04-28 16:14:21 UTC (rev 4434)
@@ -6,15 +6,6 @@
 
 
 VERY HIGH:
--- Streamlined tutorial for Multicore:
-    * Simple page with nothing aside from R commands for simplest case
-    * link to installation instructions
-    * link to advanced info
-
-VERY HIGH:
--- OpenMx doco on wiki
-
-VERY HIGH:
 -- get working on beagle.
 -- Debug Ideas:
     - Minimal C program which causes issues
@@ -24,17 +15,13 @@
     - Might be something that happens at link time:
         startup code for one of libraries
 
-VERY HIGH:
--- Benchmarks 
-    Timing: dramatic bencmark results for new proposal.
-    - Parallel bootstrap DONE
-    - Parallel CI
-    - smaller focused micro-tests looking at param size
+HIGH:
+-- Benchmark ideas
+    - Beagle
     - Sarah Kenny FMRI
-    - parallel OpenMx Tests
 
-HIGH:
--- Feedback from queue
+MED:
+-- Feedback from queue to let user know if job waiting in batch queue
 
 HIGH:
 -- better ctrl-c support
@@ -42,51 +29,32 @@
         cluster?
 
 HIGH:
--- Test on Mac
-
-HIGH:
 -- Usability testing package
 -- Instructions + survey
 
 MED:
- -- Plyr support
- -- foreach support
- -- raster support
+-- Support generic swift sites.xml and tc.data files for power users
 
+
 MED:
--- OpenMx specific instructions.
+-- automated tests
 
-HIGH:
--- Check  java version ahead of time
-
-HIGH:
--- email swift-devel about automated tests
-
 MED:
 -- IBI performance tests
 
 MED:
--- Add OpenMx tests to test suite
+-- Add OpenMx tests to SwiftR test suite
 
-HIGH:
-- perf approach
- -- socket?
- -- swift times?
- -- micro studies on provider staging etc.
-
 MID:
 - test on Ranger
 
 MID:
-- saner approach to channels: channel per request to avoid the issue
-    of what happens if a "done" is never read
+-- Check  java version ahead of time
 
 MID:
 - Support Swift mode where it runs multiple batch jobs to avoid timeout
     issues and congestion issues
 
-MID: 
-- mechanism to copy files across
  
 MID:
 - SGE for Tim bates
@@ -95,6 +63,8 @@
  -- siraf
  -- godzilla (if updated)
 
+MED:
+- sockets to improve performance?
 
 MID:
 * Cleanup ssh worker processes: add a watchdog that detects when worker.pl has 
@@ -105,12 +75,30 @@
 * restart batch jobs automatically if time runs out
 
 MID:
-Implement omxXXX parallel calls, update openmx code
+Implement omxXXX parallel calls that behave same on swift, snowfall, local:
+    * omxExport
+    * omxApply
+    * omxLibrary
+    * etc
+    * update openmx code
+    * add tests to openmx
 * Detect in OpenMx whether swift cluster is initialized.
 
+MED:
+
+Coaster timeout problem:
+    * Relevant bug: https://bugzilla.mcs.anl.gov/swift/show_bug.cgi?id=253
+    * Temporary fix (increasing timeout duration) integrated into provider-coaster/src/org/globus/cog/abstraction/coaster/service/CoasterService.java
+    * Don't want to have to hardcode change:
+
 MID:
 - More robust mechanism for swiftExport - use swift to stage?
+- mechanism to copy other files across directly
 
+LOW:
+ -- Plyr support
+ -- foreach support
+ -- raster support
 LOW: (unless needed by immediate OpenMx app or test)
 - complete sf compat functions (sapply, lapply -> for openMx, based on usage)
 
@@ -147,6 +135,9 @@
 Investigate use of swift broadcase:
     swift bcast if exportAll files/data and/or xmit this via prov staging w/ caching of duplicates
 
+LOW:
+- saner approach to channels: channel per request to avoid the issue
+    of what happens if a "done" is never read
 
 =========================================================================
 Completed:
@@ -165,12 +156,8 @@
  Look at all OmxNNN parallel calls - see if any are used that we dont yet handle.
  - It turns out that they are not currently needed
 
-HIGH:
+        
 
-Coaster timeout problem:
-    He (Mihael) will also look at a better fix to the coaster timeout problem, but for now, you should integrate the timeout change from my trunk/cog/modules/provider-coaster/src/* into your test trunk/
-    Otherwise, you'll find that your coaster workers quit after a few minutes of inactivity and then start-swift needs to be killed, workers cleanup up, and start-swift restarted.
-
 MID:
 - user testing in general (ssh, pbs, sge) 
 * SGE testing: ranger, siraf (low priority)
@@ -181,17 +168,26 @@
  ssh server.  A convenience function getNodeList is included to make it easier
  to get the host list from the environment *)
 
-HIGH:
-See email about pbs breaking on UVa cluster
-
-
 MID:
-- Wiki: screen
-
-MID:
 - startup notes from Tim Bates
  -- rlib rpackage sugg   
 
-MID:
-* Fast branch: working? faster?
-    - DONE
+VERY HIGH:
+-- Streamlined tutorial for Multicore:
+    * Simple page with nothing aside from R commands for simplest case
+    * link to installation instructions
+    * link to advanced info
+
+VERY HIGH:
+-- OpenMx doco on wiki
+HIGH:
+-- Benchmark ideas
+    Timing: dramatic bencmark results for new proposal.
+    - Parallel bootstrap DONE
+    - Parallel CI
+    - smaller focused micro-tests looking at param size
+    - Sarah Kenny FMRI
+    - parallel OpenMx Tests
+
+HIGH:
+-- Test on Mac



From tga at ci.uchicago.edu  Thu Apr 28 17:38:26 2011
From: tga at ci.uchicago.edu (tga at ci.uchicago.edu)
Date: Thu, 28 Apr 2011 17:38:26 -0500 (CDT)
Subject: [Swift-commit] r4435 - in SwiftApps/SwiftR/Swift: R exec
Message-ID: <20110428223826.C0F719CC82@svn.ci.uchicago.edu>

Author: tga
Date: 2011-04-28 17:38:26 -0500 (Thu, 28 Apr 2011)
New Revision: 4435

Modified:
   SwiftApps/SwiftR/Swift/R/Workers.R
   SwiftApps/SwiftR/Swift/exec/start-swift
Log:
Started work on allowing users to provide their own sites file etc.  
Added in options to allow users to provide custom sites.xml, tc.data, cf.
Needs additional work to determine the best way to handle this.


Modified: SwiftApps/SwiftR/Swift/R/Workers.R
===================================================================
--- SwiftApps/SwiftR/Swift/R/Workers.R	2011-04-28 16:14:21 UTC (rev 4434)
+++ SwiftApps/SwiftR/Swift/R/Workers.R	2011-04-28 22:38:26 UTC (rev 4435)
@@ -43,13 +43,23 @@
 }
 
 
-swiftInit <- function( cores=NULL, server=NULL, 
-                    hosts=NULL, nodes=NULL, project=NULL, 
-                    parEnv=NULL, kernel=NULL, workmode=NULL,
-                    throttle=NULL, queue=NULL,
-                    rcmd=NULL, time=NULL,
-                    workerLogging=NULL,swiftLogging=NULL, 
-                    keepworkdir=NULL)
+swiftInit <- function( cores=getOption("swift.cores"), 
+                    server=getOption("swift.server"), 
+                    hosts=getOption("swift.hosts"), 
+                    nodes=getOption("swift.nodes"), 
+                    project=getOption("swift.project"), 
+                    parEnv=getOption("swift.parenv"), 
+                    kernel=getOption("swift.kernel"), 
+                    workmode=getOption("swift.workmode"),
+                    throttle=getOption("swift.throttle"), 
+                    queue=getOption("swift.queue"),
+                    rcmd=getOption("swift.rcmd"), time=getOption("swift.time"),
+                    workerLogging=getOption("swift.workerLogging"),
+                    swiftLogging=getOption("swift.swiftLogging"), 
+                    keepworkdir=getOption("swift.keepworkdir"), 
+                    tc.file=getOption("swift.tc.file"), 
+                    cf.file=getOption("swift.cf.file"), 
+                    sites.file=getOption("swift.sites.file"))
 {
     # server: which server backend to use to acquire workers
     #           for example, local runs tasks on the local machine
@@ -82,34 +92,25 @@
 
     
     if(is.null(server))
-        server <- getOption("swift.server")
-        if(is.null(server))
-            server <- "local"
-    if(! is.null(server) )  {
-        cmdString <- paste(cmdString, "-s", shQuote(server)) 
-    }
+        server <- "local"
+    cmdString <- paste(cmdString, "-s", shQuote(server)) 
+
     
-    if(is.null(cores))
-        cores <- getOption("swift.cores")
-        if (is.null(cores)) {
-            if (server == "local") {
-                cores <- getOption("swift.system.cores")
-                if (is.null(cores)) 
-                    cores <- 2
-            }
-            else if (server == "ssh") {
-                cores <- 4
-            }
-            else {
-                cores <- 8
-            }
+    if (is.null(cores)) {
+        if (server == "local") {
+            cores <- getOption("swift.system.cores")
+            if (is.null(cores)) 
+                cores <- 2
         }
+        else if (server == "ssh") 
+            cores <- 4
+        else 
+            cores <- 8
+    }
     if(! is.null(cores) )  {
         cmdString <- paste(cmdString, "-c", shQuote(cores))
     }
 
-    if(is.null(hosts))
-        hosts <- getOption("swift.hosts")
     if( is.null(hosts) )  {
         if (server == "ssh") {
             error(paste("Need to provide hosts list for ssh server."))
@@ -126,21 +127,14 @@
         cmdString <- paste(cmdString, "-h", shQuote(hosts) )
     }
     
-    if(is.null(parEnv))
-        parEnv <- getOption("swift.parenv")
     if(! is.null(parEnv) )  {
         cmdString <- paste(cmdString, "-e", shQuote(parEnv)) 
     }
-    
-    if(is.null(kernel))
-        kernel <- getOption("swift.kernel")
 
     if(! is.null(kernel) )  {
         cmdString <- paste(cmdString, "-kernel", shQuote(kernel)) 
     }
    
-    if(is.null(workmode))
-        workmode <- getOption("swift.workmode")
     if(! is.null(workmode) )  {
         cmdString <- paste(cmdString, "-m", shQuote(workmode)) 
     }
@@ -149,75 +143,64 @@
         nodes <- 1
     else {
         if(is.null(nodes))
-            nodes <- getOption("swift.nodes")
-        if(is.null(nodes))
             if (server == "ssh") {
                 nodes <- length(strsplit(hosts, " ", fixed=T)[[1]])
 #                cat("Node count for hosts '", hosts, "' is ", nodes)
             }
             else 
                 nodes <- 1 # Default value
-        if(! is.null(nodes) )  {
+        if(! is.null(nodes) )  
             cmdString <- paste(cmdString, "-n", shQuote(nodes)) 
-        }
     }
     
-    if(is.null(throttle)) {
-        throttle <- getOption("swift.throttle")
-        if (is.null(throttle)) {
-            # number of simultaneous jobs / 10:
-            #   Round up to nearest integer
-            throttle <- as.integer((cores * nodes / 10.0) + 1)
-        }
+    if (is.null(throttle)) {
+        # number of simultaneous jobs / 10:
+        #   Round up to nearest integer
+        throttle <- as.integer((cores * nodes / 10.0) + 1)
     }
-    if(! is.null(throttle) )  {
+    if(! is.null(throttle)) 
         cmdString <- paste(cmdString, "-p", shQuote(throttle)) 
-    }
 
-    if(is.null(queue))
-        queue <- getOption("swift.queue")
-    if(! is.null(queue) )  {
+    if(! is.null(queue) )  
         cmdString <- paste(cmdString, "-q", shQuote(queue)) 
-    }
     
-    if(is.null(project))
-        project <- getOption("swift.project")
-    if(! is.null(project) )  {
+    if(! is.null(project) )  
         cmdString <- paste(cmdString, "-A", shQuote(project)) 
-    }
     
-    if(is.null(rcmd))
-        rcmd <- getOption("swift.rcmd")
-    if(! is.null(rcmd) )  {
+    if(! is.null(rcmd) )  
         cmdString <- paste(cmdString, "-r", shQuote(rcmd)) 
-    }
 
-
-    if(is.null(time))
-        time <- getOption("swift.time")
-    if(! is.null(time) )  {
+    if(! is.null(time) )  
         cmdString <- paste(cmdString, "-t", shQuote(time)) 
-    }
     
-    if(is.null(workerLogging))
-        workerLogging <- getOption("swift.workerLogging")
-    if(! is.null(workerLogging) )  {
+    if(! is.null(workerLogging) )  
         cmdString <- paste(cmdString, "-w", shQuote(workerLogging)) 
-    }
     
-    if(is.null(swiftLogging))
-        swiftLogging <- getOption("swift.swiftLogging")
-    if( (! is.null(swiftLogging)) && swiftLogging )  {
+    if( (! is.null(swiftLogging)) && swiftLogging )  
         cmdString <- paste(cmdString, "-L")
-    }
     
-    if(is.null(keepworkdir))
-        keepworkdir <- getOption("swift.keepworkdir")
     if(!is.null(keepworkdir) && keepworkdir)
         cmdString <- paste(cmdString, "-k")
 
     if (!is.null(getOption("swift.trace")) && getOption("swift.trace"))
         cmdString <- paste(cmdString, "--trace")
+    
+    if (server == "custom") {
+        if (is.null(sites.file)) {
+            stop(paste("sites file must be specified by argument or",
+                    "option for custom server"))
+        }
+        if (is.null(tc.file)) {
+            stop(paste("tc file must be specified by argument or",
+                    "option for custom server"))
+        }
+        if (is.null(cf.file)) {
+            stop(paste("cf file must be specified by argument or",
+                    "option for custom server"))
+        }
+        cmdString <- paste(cmdString, "--cf.file", shQuote(cf.file), 
+                "--tc.file", shQuote(tc.file), "--sites.file", shQuote(sites.file))
+    }
 
     # launch asynchronously
     # for now, we will rely on the shell script's output to inform

Modified: SwiftApps/SwiftR/Swift/exec/start-swift
===================================================================
--- SwiftApps/SwiftR/Swift/exec/start-swift	2011-04-28 16:14:21 UTC (rev 4434)
+++ SwiftApps/SwiftR/Swift/exec/start-swift	2011-04-28 22:38:26 UTC (rev 4435)
@@ -45,7 +45,6 @@
 
   IDLETIMEOUT=$((60*60*240)) # 10 days: FIXME: make this a command line arg
 
-  rm -rf remotepid.* # FIXME: should not be needed if we start in a new dir each time
   echo "Starting to launch ssh workers on hosts: $hosts"
   for host in $(echo $hosts); do
     timestamp=$(date "+%Y.%m%d.%H%M%S")
@@ -78,7 +77,6 @@
 }
 
 
-# FIXME: does PBS need same workers-per-node logic as SGE?
 make-pbs-submit-file()
 {
   SUBMIT_FILE=$1
@@ -432,15 +430,19 @@
    -c cores    2,4,5       >= 1 (default is: local 2; ssh 4; cluster 8)
    -e parEnv               site specific, SGE only
    -h hosts    1           list of hosts, quoted as one argument, space separated
-   -m workmode node        node: start one worker for all slots on a node; slot (one worker on each slot) (Currently ignored)
+   -m workmode node        node: start one worker for all slots on a node; 
+                            slot: one worker on each slot (Currently ignored)
    -n nodes    1
    -p throttle 10          >= 1 integer
    -q queue                site speific (PBS, SGE, Cobalt)
-   -r rcmd     ssh         site specific, SGE only, typically ssh. qrsh for siraf cluster
-   -s server   local       local, pbs, sge, ssh, pbsf,cobalt,crayxt (for firewalled worker nodes)
+   -r rcmd     ssh         site specific, SGE only, typically ssh. 
+                                    qrsh for siraf cluster
+   -s server   local       local, pbs, sge, ssh, pbsf (for firewalled workers)
+                            ,cobalt,crayxt,custom
    -t time     00:30:00    hh:mm:ss, for PBS, Cobalt and SGE only
    -w wkloglvl NONE        NONE, ERROR, WARN, INFO, DEBUG, TRACE
-   -k keepdir              No argument, if flag is set, will keep working directory
+   -k keepdir              No argument, if flag is set, will keep working 
+                                                                directory
    --trace                 If provided, echo bash commands
 
     Examples:
@@ -478,6 +480,9 @@
 workerLogging=ERROR
 swiftLoggingFlag="-minimal.logging"
 keepdir=FALSE
+sites_file=
+tc_file=
+cf_file=
 
 rcmd=ssh      # rcmd: ssh (typical) or qrsh (eg for siraf with node login restrictions)
 workmode=slot # slot: start one worker on each slot; node: start one worker for all slots on a node
@@ -495,13 +500,16 @@
     -p) throttle=$2; verify-is-numeric throttle $throttle; shift ;;
     -q) queue=$2; verify-not-null queue $queue; shift ;;
     -r) rcmd=$2; verify-is-one-of rcmd $rcmd ssh qrsh; shift ;;
-    -s) server=$2; verify-is-one-of server $server local ssh pbs pbsf sge cobalt crayxt; shift ;;
+    -s) server=$2; verify-is-one-of server $server local ssh pbs pbsf sge cobalt crayxt custom; shift ;;
     -t) time=$2; verify-not-null time $time; shift ;;
     -w) workerLogging=$2; verify-is-one-of workerLoggingLevel $workerLogging NONE ERROR WARN INFO DEBUG TRACE; shift ;;
     -L) swiftLoggingFlag="" ;; # swift default is lots of logging
     -k) keepdir=TRUE ;;
     --trace) set -x ;;
     -d) workdir=$2; verify-not-null workdir $workdir; shift ;;
+    --tc.file) tc_file=$2; shift ;;
+    --sites.file) sites_file=$2; shift ;;
+    --cf.file) cf_file=$2; shift ;;
     *)  usage; exit 1 ;;
   esac
   shift
@@ -531,9 +539,28 @@
 
 rm -f $rundir
 ln -s $trundir $rundir
-cd $trundir
 
+# Before we cd into dir, copy across
+if [ $server = custom ]; then
+    if [ ! -f "$tc_file" ]; then
+        echo --tc.file not provided or does not exist
+        cd /; rm -rf $trundir
+        exit 1
+    elif [ ! -f "$sites_file" ]; then
+        echo --sites.file not provided or does not exist
+        cd /; rm -rf $trundir
+        exit 1
+    elif [ ! -f "$cf_file" ]; then
+        echo --cf.file not provided or does not exist
+        cd /; rm -rf $trundir
+        exit 1
+    fi
+    cp $tc_file $trundir/tc
+    cp $cf_file $trundir/cf
+    cp $sites_file $trundir/sites.xml
+fi
 
+cd $trundir
 
 # Standard clenuup actions
 function stdcleanup_start {
@@ -576,7 +603,16 @@
 # Function to run on termination of swift
 exitcmd=""
 
-if [ $server = local ]; then
+if [ $server = custom ]; then
+    # have already set up tc.data and sites.xml files, just set
+    #onexit
+    function onexit {
+        stdcleanup_start
+        stdcleanup_end
+    }
+    trap onexit $TRAPEVENTS
+    exitcmd=onexit
+elif [ $server = local ]; then
 
   if [ $cores -eq 0 ]; then
     cores=$defaultLocalCores
@@ -602,7 +638,6 @@
     exit 0
   }
 
-  TRAPEVENTS="EXIT 1 2 3 15"  # Signals and conditions to trap
   trap onexit $TRAPEVENTS
   exitcmd=onexit
 
@@ -617,7 +652,6 @@
 
   sshpidfile=${out/stdouterr/workerpids}
 
-  TRAPEVENTS="EXIT 1 2 3 15"  # Signals and conditions to trap
 
   function onexit {
     stdcleanup_start
@@ -662,7 +696,6 @@
 
   jobidfile=${out/stdouterr/jobid}
 
-  TRAPEVENTS="EXIT 1 2 3 15"  # Signals and conditions to trap
 
   function onexit {
     stdcleanup_start



From tga at ci.uchicago.edu  Fri Apr 29 13:44:55 2011
From: tga at ci.uchicago.edu (tga at ci.uchicago.edu)
Date: Fri, 29 Apr 2011 13:44:55 -0500 (CDT)
Subject: [Swift-commit] r4436 - SwiftApps/SwiftR
Message-ID: <20110429184455.F2C019CC80@svn.ci.uchicago.edu>

Author: tga
Date: 2011-04-29 13:44:55 -0500 (Fri, 29 Apr 2011)
New Revision: 4436

Added:
   SwiftApps/SwiftR/NOTES-custom-config
Log:
Checking in notes about providing custom swift config files.


Added: SwiftApps/SwiftR/NOTES-custom-config
===================================================================
--- SwiftApps/SwiftR/NOTES-custom-config	                        (rev 0)
+++ SwiftApps/SwiftR/NOTES-custom-config	2011-04-29 18:44:55 UTC (rev 4436)
@@ -0,0 +1,54 @@
+This is currently just a repository for notes about the custom swift feature.
+
+Pros:
+-----
+* Can use resources not supported directly by SwiftR
+* Dynamic provisioning of workers
+* Additional configurability
+* Can handle situations beyond what snowfall can.
+
+Cons:
+-----
+* Additional complexity of having to write own sites, etc file
+* Less responsive: typically rely on workers to fire up after apply job is started
+
+Use Cases:
+----------
+* Long-running script where we want to be able to dynamically procure workers
+   - don't want to be in situation where batch allocation ends and job fails
+* More complex situations - e.g. running swift on a grid or multiple sites
+We can either use a coaster provider, or a non-coaster provider (e.g. GRAM or condor)
+
+Coasters Provider:
+-------------------
+- This should be the primary use case
+- What are sensible default settings?
+- What settings do users actually need to change?  Is there an easier way to handle common cases than always requiring users to write a file from scratch?
+
+- Problem: coasters seem to be released when swift work queue gets short at
+    end of apply job, but R could be about to release another set of jobs.
+
+Non-Coasters Provider:
+-----------------------
+- Doesn't make sense to use EvalRBatchPersistent script as each job will only be run once
+- This only suits long-running data crunching
+
+
+How to configure
+-----
+system requirements:
+* R needs to be on the default path on worker nodes
+
+sites file:
+* Need one or more work pools
+
+tc data:
+* Need bash for each pool
+
+cf:
+* no special settings required
+
+
+Unresolved Problems:
+-------------------
+- Export requires shared file system currently: need to specify all input dependencies on swift command line



From tga at ci.uchicago.edu  Fri Apr 29 17:10:54 2011
From: tga at ci.uchicago.edu (tga at ci.uchicago.edu)
Date: Fri, 29 Apr 2011 17:10:54 -0500 (CDT)
Subject: [Swift-commit] r4437 - in SwiftApps/SwiftR: . Swift/R Swift/exec
Message-ID: <20110429221054.2567A9CC82@svn.ci.uchicago.edu>

Author: tga
Date: 2011-04-29 17:10:54 -0500 (Fri, 29 Apr 2011)
New Revision: 4437

Modified:
   SwiftApps/SwiftR/IMMEDIATE-TODO
   SwiftApps/SwiftR/Swift/R/Apply.R
   SwiftApps/SwiftR/Swift/R/Export.R
   SwiftApps/SwiftR/Swift/exec/EvalRBatchPersistent.sh
   SwiftApps/SwiftR/Swift/exec/SwiftRServer.R
   SwiftApps/SwiftR/Swift/exec/rserver.swift
Log:
Revamping export mechanism so that Swift will stage files: now SwiftR writes out a manifest of exported files adn these are explicit arguments to the remote R invocation.
TODO: investigate whether swift will stage files to same worker multiple times unncessarily.


Modified: SwiftApps/SwiftR/IMMEDIATE-TODO
===================================================================
--- SwiftApps/SwiftR/IMMEDIATE-TODO	2011-04-29 18:44:55 UTC (rev 4436)
+++ SwiftApps/SwiftR/IMMEDIATE-TODO	2011-04-29 22:10:54 UTC (rev 4437)
@@ -92,7 +92,9 @@
     * Don't want to have to hardcode change:
 
 MID:
-- More robust mechanism for swiftExport - use swift to stage?
+- More robust mechanism for swiftExport
+    - Write all needed files into request directory (symlink?),
+        then map with swift and use swift to stage?
 - mechanism to copy other files across directly
 
 LOW:

Modified: SwiftApps/SwiftR/Swift/R/Apply.R
===================================================================
--- SwiftApps/SwiftR/Swift/R/Apply.R	2011-04-29 18:44:55 UTC (rev 4436)
+++ SwiftApps/SwiftR/Swift/R/Apply.R	2011-04-29 22:10:54 UTC (rev 4437)
@@ -209,9 +209,17 @@
   options(.swift.requestid=requestid)
   reqdir = file.path(requestdirbase, sprintf("R%.7d",requestid))
   dir.create(reqdir,recursive=TRUE,showWarnings=FALSE,mode=kDIR_MODE)
+  
   return (reqdir)
 }
 
+writeExportList <- function (reqdir, exportFileList) {
+  # Write out a list of exported Rdata files, in text format 
+  # with one file per line.  This is in a file called exports.txt
+  expFile<-file(file.path(reqdir, "exports.txt"))
+  writeLines(as.vector(exportFileList, mode="character"), expFile)
+  close(expFile)
+}
 
 writeRequestBatches <- function (func, arglists, initialexpr, 
                         reqdir, callsperbatch, exportlist=NULL) {
@@ -221,6 +229,7 @@
     exportlist <- newSession()
     options(.swift.session = exportlist)
   }
+  writeExportList(reqdir, exportlist$exports)
   # Write the function call info out to cbatch.?.RData files in reqdir 
   # in batches of size specified by callsperbatch 
   # returns the number of batches written

Modified: SwiftApps/SwiftR/Swift/R/Export.R
===================================================================
--- SwiftApps/SwiftR/Swift/R/Export.R	2011-04-29 18:44:55 UTC (rev 4436)
+++ SwiftApps/SwiftR/Swift/R/Export.R	2011-04-29 22:10:54 UTC (rev 4437)
@@ -113,10 +113,10 @@
 
 getExportDir <- function () {
     d <- getOption("swift.exportdir")
-    if (! is.null(d))   d <- file.path(d, ".swiftr", "exports")
-    
-    # Home directory is a candidate
-    d <- Sys.getenv("HOME")[[1]]
+    if (is.null(d)) {
+        # temp directory
+        return (file.path(tempdir(), "swexports"))
+    }
     if (d == "") {
         return (NULL)
     }

Modified: SwiftApps/SwiftR/Swift/exec/EvalRBatchPersistent.sh
===================================================================
--- SwiftApps/SwiftR/Swift/exec/EvalRBatchPersistent.sh	2011-04-29 18:44:55 UTC (rev 4436)
+++ SwiftApps/SwiftR/Swift/exec/EvalRBatchPersistent.sh	2011-04-29 22:10:54 UTC (rev 4437)
@@ -10,8 +10,8 @@
 umask "077"
 
 #if [ $# != 4 ]; then
-if [ $# != 3 ]; then
-  echo $0: expecting 4 arguments, got $#: $* 1>&2
+if [ $# -lt 4 ]; then
+  echo $0: expecting 4+ arguments, got $#: $* 1>&2
   exit 1
 fi
 
@@ -22,7 +22,18 @@
 RServerScript=$1
 callFile=$2
 resultFile=$3
+shift; shift; shift;
 
+if [ $1 != "--imports" ];
+then
+    echo $0: expected --imports to be provided
+fi
+shift;
+# now $@ contains imports
+imports=$@
+
+
+
 # Find our bin dir (to use for running utility scripts)
 
 SWIFTRBIN=$(cd $(dirname $0); pwd)
@@ -141,7 +152,7 @@
 else
   # wait to make sure fifo exists
   # fromR fifo is created last, so wait for that one
-  while 1; do
+  while true; do 
     if [ -p $SLOTDIR/fromR.fifo ]; then
       break
     fi
@@ -162,7 +173,13 @@
 stop_timeout
 echo DB: Obtained $SLOTDIR/mutex
 
-echo run $(pwd)/$callFile $(pwd)/$resultFile > $SLOTDIR/toR.fifo &
+absimports=
+for im in $imports; do
+    absimports="$absimports $(pwd)/$im"
+done
+echo imports: $imports
+echo absimports: $absimports
+echo run $(pwd)/$callFile $(pwd)/$resultFile $absimports > $SLOTDIR/toR.fifo &
 echopid=$!
 start_timeout $echopid
 

Modified: SwiftApps/SwiftR/Swift/exec/SwiftRServer.R
===================================================================
--- SwiftApps/SwiftR/Swift/exec/SwiftRServer.R	2011-04-29 18:44:55 UTC (rev 4436)
+++ SwiftApps/SwiftR/Swift/exec/SwiftRServer.R	2011-04-29 22:10:54 UTC (rev 4437)
@@ -29,11 +29,35 @@
       repeat {
         cat("SwiftRServer at top of loop is in dir:",getwd(),"\n");
         setwd(dir) # FIXME: not yet sure what is changing the CWD
+
+        # Read a line from fifo
         infifo <- fifo(inFifoName,open="rb",blocking=TRUE)
-        cmd <- scan(infifo,what=list("","",""),nlines=1,flush=FALSE,quiet=FALSE,fill=TRUE)
+        inline <- readLines(infifo, 1)
+        close(infifo)
+
+        cmd <- unlist(strsplit(inline, " ", fixed=T))
+        cat("cmd:\n")
+        print(cmd)
+        if (length(cmd) < 3) {
+            stop(paste("Error: cmd provided was too short with length ",
+                    length(cmd), ":", cmd))
+        }
         op = cmd[[1]]
         callBatchFileName = cmd[[2]]
         resultBatchFileName = cmd[[3]]
+        # NOTE: there has to be a correspondence between
+        # the importFileNames received on the pipe and the
+        # list of import file names in the call object.
+        # They correspond 1:1.  The name in the call object
+        # is the unique filepath on the client's system, which
+        # we use to determine if an import file has been
+        # already imported.  The name received on the pipe
+        # is the name in the local file system.
+        if (length(cmd) > 3) {
+            importFileNames = cmd[4:length(cmd)]
+        } else {
+            importFileNames = NULL
+        }
         cat("DB: cmd: op=",op," call batch=",callBatchFileName," result batch=",resultBatchFileName,"\n");
         if(is.null(op)) {
           cat("op is NULL\n")
@@ -48,13 +72,15 @@
           }
           if( identical(op,"run")) {
             cat("DB: About to run batch file: ", callBatchFileName,"\n");
-            runBatch(callBatchFileName,resultBatchFileName)
+            runBatch(callBatchFileName,resultBatchFileName, importFileNames)
             outfifo <- fifo(outFifoName,open="wb",blocking=TRUE)
             cat(file=outfifo, "Batch completed: result batch file: ", resultBatchFileName,"\n");
           }
+          else {
+            cat("DB: got op [", op, "]\n")
+          }
         }
-        close(infifo)
-        close(outfifo)
+        try(close(outfifo))
       }
     }
 
@@ -64,7 +90,7 @@
       outfifo <- fifo(outFifoName,open="wb",blocking=TRUE)
       cat(paste("ERROR: R server failed with error", gsub("\n", " ", error)), "\n")
       cat(file=outfifo, paste("ERROR: R server failed with error", gsub("\n", " ", error)), "\n")
-      close(outfifo)
+      try(close(outfifo))
     }
 
     doInit <- function(initializer) {
@@ -90,7 +116,7 @@
         save(result,file=resultBatchFileName)
     }
 
-    runBatch <- function( callBatchFileName, resultBatchFileName )
+    runBatch <- function( callBatchFileName, resultBatchFileName, importFileNames )
     {
       # Load contents into local environment
       success <- try(load(callBatchFileName, envir=environment()));
@@ -98,8 +124,9 @@
         stop(paste(callBatchFileName, "could not be opened"))
         return()
       }
-      success <- try(loadImports(rcall$imports))
+      success <- try(loadImports(rcall$imports, importFileNames))
       if (inherits(success, "try-error")) {
+        cat("import failed!!: ", success)
         failBatch(rcall, success, resultBatchFileName)
         return()
       }
@@ -139,7 +166,7 @@
         cat("DB: reset env\n")
     }
 
-    loadImports <- function (importlist) {
+    loadImports <- function (importlist, importFileNames) {
         # First check whether the session id has changed
         #cat(paste("Import list:", importlist$exports, "\n"), file=stderr())
         #cat(paste("New Session:", importlist$session, "\n"), file=stderr())
@@ -158,24 +185,35 @@
         if (doSetup) {
             newSession(importlist$session)
         }
+        # Co-iterate over the unique names and 
+        # if length doesn't match, something has gone wrong
+        numImports <- length(importlist$exports)
+        if (numImports != length(importFileNames)) {
+            stop(paste("Number of import file names provided on command line (",
+                length(importFileNames),") does not match number in call object (",
+                numImports, ").  ", importFileNames, " vs ", importlist$exports))
+        }
+        if (numImports > 0) {
+            for (i in 1:numImports) {
+                # Load the contents of the specified file
+                # into the global environment
+                uniqueId <- importlist$exports[[i]]
+                localFile <- importFileNames[[i]]
 
-        for (file in importlist$exports) {
-            # Load the contents of the specified file
-            # into the global environment
-
-            #cat("File: ", file, "\n")
-            # check to see if already imported
-            if (!exists(file, envir=.current.imported)) {
-                #TODO: load can fail with warning
-                load(file, envir=globalenv()) 
-                # if an error occurs here, assume calling function
-                # will catch it
-                assign(file, TRUE, envir=.current.imported)
-                cat("Loaded file ", file, "\n")
+                #cat("File: ", file, "\n")
+                # check to see if already imported
+                if (!exists(uniqueId, envir=.current.imported)) {
+                    #TODO: load can fail with warning
+                    load(localFile, envir=globalenv()) 
+                    # if an error occurs here, assume calling function
+                    # will catch it
+                    assign(uniqueId, TRUE, envir=.current.imported)
+                    cat("Loaded file ", localFile, " with unique path ", uniqueId, "\n")
+                }
+                else {
+                    #cat("Ignored file ", file, "\n")
+                }
             }
-            else {
-                #cat("Ignored file ", file, "\n")
-            }
         }
     }
 

Modified: SwiftApps/SwiftR/Swift/exec/rserver.swift
===================================================================
--- SwiftApps/SwiftR/Swift/exec/rserver.swift	2011-04-29 18:44:55 UTC (rev 4436)
+++ SwiftApps/SwiftR/Swift/exec/rserver.swift	2011-04-29 22:10:54 UTC (rev 4437)
@@ -8,9 +8,10 @@
 #        replace ack with ftracef to result pipe
 #        condense shellscript and rserverscript to one?
 
-app (external e, RData result, file stout, file sterr) runR (file shellscript, file RServerScript, RData rcall)
+app (external e, RData result, file stout, file sterr) runR (file shellscript, file RServerScript, RData rcall, RData exports[])
 {
-  bash @shellscript @RServerScript @rcall @result stdout=@stout stderr=@sterr;
+  bash @shellscript @RServerScript @rcall @result "--imports" @exports 
+            stdout=@stout stderr=@sterr;
 }
 
 app ack (external e[])
@@ -30,12 +31,16 @@
   RData results[] ;
   file  stout[]   ;
   file  sterr[]   ;
- 
+
+  # Load list of exported files
+  string export_list[] = readData(@strcat(runDir, "/exports.txt"));
+  RData exports[] ;
+
   file  runRscript <"EvalRBatchPersistent.sh">;
   file  rsScript   <"SwiftRServer.R">;
 
   foreach c, i in rcalls {
-    (e[i], results[i],stout[i], sterr[i]) = runR(runRscript,rsScript,c);
+    (e[i], results[i],stout[i], sterr[i]) = runR(runRscript,rsScript,c, exports);
   }
 }
 



From ketan at ci.uchicago.edu  Wed Apr 27 12:29:00 2011
From: ketan at ci.uchicago.edu (ketan at ci.uchicago.edu)
Date: Wed, 27 Apr 2011 17:29:00 -0000
Subject: [Swift-commit] r4429 - SwiftApps/modFTDock/input
Message-ID: <20110427172859.31D3E9CC92@svn.ci.uchicago.edu>

Author: ketan
Date: 2011-04-27 12:28:58 -0500 (Wed, 27 Apr 2011)
New Revision: 4429

Removed:
   SwiftApps/modFTDock/input/1aiu-1.pdb
   SwiftApps/modFTDock/input/1bmp-1.pdb
   SwiftApps/modFTDock/input/1j55-1.pdb
   SwiftApps/modFTDock/input/1k8u-1.pdb
   SwiftApps/modFTDock/input/1oxn-2.pdb
   SwiftApps/modFTDock/input/1oxn-3.pdb
   SwiftApps/modFTDock/input/1q02-1.pdb
   SwiftApps/modFTDock/input/1waq-1.pdb
   SwiftApps/modFTDock/input/1zt3-1.pdb
   SwiftApps/modFTDock/input/2c60-1.pdb
   SwiftApps/modFTDock/input/2do1-1.pdb
   SwiftApps/modFTDock/input/2dq5-1.pdb
   SwiftApps/modFTDock/input/2frg-1.pdb
   SwiftApps/modFTDock/input/2g1l-1.pdb
   SwiftApps/modFTDock/input/2jrj-1.pdb
   SwiftApps/modFTDock/input/2jy5-1.pdb
   SwiftApps/modFTDock/input/2of5-8.pdb
   SwiftApps/modFTDock/input/2of5-9.pdb
   SwiftApps/modFTDock/input/2rii-3.pdb
   SwiftApps/modFTDock/input/2rnl-1.pdb
   SwiftApps/modFTDock/input/2vwr-1.pdb
   SwiftApps/modFTDock/input/2x57-2.pdb
   SwiftApps/modFTDock/input/2yx8-1.pdb
   SwiftApps/modFTDock/input/2yx8-2.pdb
   SwiftApps/modFTDock/input/2z17-1.pdb
   SwiftApps/modFTDock/input/3brt-2.pdb
   SwiftApps/modFTDock/input/3eq5-1.pdb
   SwiftApps/modFTDock/input/3eq5-2.pdb
   SwiftApps/modFTDock/input/3eq5-7.pdb
   SwiftApps/modFTDock/input/3eq5-8.pdb
   SwiftApps/modFTDock/input/3h8q-2.pdb
   SwiftApps/modFTDock/input/3hm5-1.pdb
   SwiftApps/modFTDock/input/3kgr-3.pdb
   SwiftApps/modFTDock/input/3kqi-2.pdb
Log:


Deleted: SwiftApps/modFTDock/input/1aiu-1.pdb
===================================================================
--- SwiftApps/modFTDock/input/1aiu-1.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/1aiu-1.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,821 +0,0 @@
-ATOM      1  N   MET A   1      39.203  15.671  25.103  1.00 47.70           N  
-ATOM      2  CA  MET A   1      38.380  16.351  24.054  1.00 46.07           C  
-ATOM      3  C   MET A   1      39.072  16.288  22.669  1.00 41.82           C  
-ATOM      4  O   MET A   1      40.252  15.935  22.568  1.00 42.13           O  
-ATOM      5  CB  MET A   1      38.058  17.803  24.484  1.00 51.48           C  
-ATOM      6  CG  MET A   1      37.306  17.894  25.848  1.00 57.28           C  
-ATOM      7  SD  MET A   1      36.779  19.560  26.460  1.00 64.79           S  
-ATOM      8  CE  MET A   1      38.158  20.025  27.564  1.00 62.25           C  
-ATOM      9  N   VAL A   2      38.314  16.587  21.613  1.00 34.36           N  
-ATOM     10  CA  VAL A   2      38.792  16.539  20.229  1.00 29.61           C  
-ATOM     11  C   VAL A   2      39.456  17.830  19.733  1.00 27.95           C  
-ATOM     12  O   VAL A   2      38.897  18.921  19.868  1.00 26.40           O  
-ATOM     13  CB  VAL A   2      37.629  16.177  19.274  1.00 28.10           C  
-ATOM     14  CG1 VAL A   2      38.122  16.060  17.829  1.00 24.73           C  
-ATOM     15  CG2 VAL A   2      36.965  14.885  19.721  1.00 24.76           C  
-ATOM     16  N   LYS A   3      40.620  17.684  19.109  1.00 24.82           N  
-ATOM     17  CA  LYS A   3      41.378  18.812  18.576  1.00 23.70           C  
-ATOM     18  C   LYS A   3      41.043  19.090  17.100  1.00 22.25           C  
-ATOM     19  O   LYS A   3      41.235  18.231  16.239  1.00 18.04           O  
-ATOM     20  CB  LYS A   3      42.875  18.526  18.697  1.00 27.60           C  
-ATOM     21  CG  LYS A   3      43.370  18.177  20.096  1.00 33.49           C  
-ATOM     22  CD  LYS A   3      44.878  17.964  20.064  1.00 35.89           C  
-ATOM     23  CE  LYS A   3      45.469  17.792  21.457  1.00 38.62           C  
-ATOM     24  NZ  LYS A   3      46.956  17.899  21.380  1.00 39.53           N  
-ATOM     25  N   GLN A   4      40.574  20.302  16.816  1.00 18.61           N  
-ATOM     26  CA  GLN A   4      40.228  20.713  15.454  1.00 17.04           C  
-ATOM     27  C   GLN A   4      41.480  21.182  14.689  1.00 15.23           C  
-ATOM     28  O   GLN A   4      42.095  22.190  15.060  1.00 14.71           O  
-ATOM     29  CB  GLN A   4      39.213  21.863  15.504  1.00 16.97           C  
-ATOM     30  CG  GLN A   4      38.619  22.212  14.160  1.00 16.38           C  
-ATOM     31  CD  GLN A   4      37.599  21.197  13.726  1.00 15.12           C  
-ATOM     32  OE1 GLN A   4      36.789  20.759  14.533  1.00 21.69           O  
-ATOM     33  NE2 GLN A   4      37.629  20.809  12.473  1.00 14.68           N  
-ATOM     34  N   ILE A   5      41.826  20.479  13.611  1.00 13.61           N  
-ATOM     35  CA  ILE A   5      43.003  20.813  12.788  1.00 13.06           C  
-ATOM     36  C   ILE A   5      42.631  21.729  11.613  1.00 10.24           C  
-ATOM     37  O   ILE A   5      41.747  21.422  10.811  1.00 10.20           O  
-ATOM     38  CB  ILE A   5      43.688  19.511  12.215  1.00 12.75           C  
-ATOM     39  CG1 ILE A   5      44.227  18.589  13.312  1.00  9.31           C  
-ATOM     40  CG2 ILE A   5      44.872  19.820  11.296  1.00 13.61           C  
-ATOM     41  CD1 ILE A   5      45.172  19.297  14.284  1.00  9.04           C  
-ATOM     42  N   GLU A   6      43.328  22.865  11.494  1.00  8.94           N  
-ATOM     43  CA  GLU A   6      42.995  23.829  10.423  1.00  8.19           C  
-ATOM     44  C   GLU A   6      44.202  24.243   9.538  1.00  8.52           C  
-ATOM     45  O   GLU A   6      44.230  25.342   8.970  1.00  6.85           O  
-ATOM     46  CB  GLU A   6      42.376  25.099  11.014  1.00  7.70           C  
-ATOM     47  CG  GLU A   6      40.954  24.876  11.558  1.00 11.01           C  
-ATOM     48  CD  GLU A   6      39.939  24.436  10.491  1.00 10.37           C  
-ATOM     49  OE1 GLU A   6      40.203  24.588   9.238  1.00 14.35           O  
-ATOM     50  OE2 GLU A   6      38.814  23.912  10.847  1.00 15.83           O  
-ATOM     51  N   SER A   7      45.184  23.360   9.405  1.00  5.70           N  
-ATOM     52  CA  SER A   7      46.360  23.598   8.517  1.00  7.36           C  
-ATOM     53  C   SER A   7      47.272  22.378   8.541  1.00  7.84           C  
-ATOM     54  O   SER A   7      47.216  21.591   9.490  1.00  7.74           O  
-ATOM     55  CB  SER A   7      47.121  24.859   8.941  1.00  5.70           C  
-ATOM     56  OG  SER A   7      47.903  24.604  10.093  1.00 11.35           O  
-ATOM     57  N   LYS A   8      48.113  22.225   7.521  1.00  8.16           N  
-ATOM     58  CA  LYS A   8      49.057  21.102   7.480  1.00 13.40           C  
-ATOM     59  C   LYS A   8      50.123  21.232   8.582  1.00 13.71           C  
-ATOM     60  O   LYS A   8      50.532  20.238   9.182  1.00 14.32           O  
-ATOM     61  CB  LYS A   8      49.718  20.961   6.096  1.00 10.82           C  
-ATOM     62  CG  LYS A   8      50.671  19.767   6.033  1.00 16.89           C  
-ATOM     63  CD  LYS A   8      50.864  19.229   4.630  1.00 20.09           C  
-ATOM     64  CE  LYS A   8      51.603  20.212   3.753  1.00 25.20           C  
-ATOM     65  NZ  LYS A   8      51.857  19.652   2.393  1.00 21.60           N  
-ATOM     66  N   THR A   9      50.543  22.458   8.873  1.00 14.78           N  
-ATOM     67  CA  THR A   9      51.537  22.700   9.913  1.00 16.48           C  
-ATOM     68  C   THR A   9      51.015  22.183  11.259  1.00 15.77           C  
-ATOM     69  O   THR A   9      51.726  21.496  11.998  1.00 16.16           O  
-ATOM     70  CB  THR A   9      51.853  24.218  10.023  1.00 17.72           C  
-ATOM     71  OG1 THR A   9      52.233  24.716   8.733  1.00 20.72           O  
-ATOM     72  CG2 THR A   9      52.984  24.473  11.005  1.00 19.12           C  
-ATOM     73  N   ALA A  10      49.756  22.489  11.549  1.00 14.01           N  
-ATOM     74  CA  ALA A  10      49.120  22.071  12.791  1.00 12.27           C  
-ATOM     75  C   ALA A  10      48.995  20.548  12.852  1.00 11.59           C  
-ATOM     76  O   ALA A  10      49.161  19.951  13.922  1.00 11.22           O  
-ATOM     77  CB  ALA A  10      47.734  22.736  12.927  1.00 11.19           C  
-ATOM     78  N   PHE A  11      48.725  19.926  11.703  1.00 11.07           N  
-ATOM     79  CA  PHE A  11      48.589  18.463  11.627  1.00 11.70           C  
-ATOM     80  C   PHE A  11      49.911  17.778  11.997  1.00 13.44           C  
-ATOM     81  O   PHE A  11      49.945  16.884  12.842  1.00 12.76           O  
-ATOM     82  CB  PHE A  11      48.146  18.027  10.216  1.00 12.30           C  
-ATOM     83  CG  PHE A  11      47.801  16.554  10.105  1.00 13.62           C  
-ATOM     84  CD1 PHE A  11      46.715  16.025  10.798  1.00 16.08           C  
-ATOM     85  CD2 PHE A  11      48.569  15.697   9.316  1.00 15.35           C  
-ATOM     86  CE1 PHE A  11      46.396  14.654  10.709  1.00 18.56           C  
-ATOM     87  CE2 PHE A  11      48.260  14.316   9.216  1.00 15.26           C  
-ATOM     88  CZ  PHE A  11      47.176  13.800   9.915  1.00 17.02           C  
-ATOM     89  N   GLN A  12      50.996  18.224  11.373  1.00 12.75           N  
-ATOM     90  CA  GLN A  12      52.318  17.670  11.629  1.00 14.35           C  
-ATOM     91  C   GLN A  12      52.802  17.912  13.057  1.00 14.80           C  
-ATOM     92  O   GLN A  12      53.451  17.048  13.654  1.00 14.06           O  
-ATOM     93  CB  GLN A  12      53.334  18.230  10.637  1.00 16.64           C  
-ATOM     94  CG  GLN A  12      52.954  17.993   9.181  1.00 22.23           C  
-ATOM     95  CD  GLN A  12      53.953  18.588   8.204  1.00 25.26           C  
-ATOM     96  OE1 GLN A  12      54.389  17.912   7.276  1.00 28.27           O  
-ATOM     97  NE2 GLN A  12      54.307  19.858   8.397  1.00 24.27           N  
-ATOM     98  N   GLU A  13      52.481  19.070  13.618  1.00 14.27           N  
-ATOM     99  CA  GLU A  13      52.920  19.364  14.973  1.00 16.98           C  
-ATOM    100  C   GLU A  13      52.206  18.483  16.014  1.00 15.46           C  
-ATOM    101  O   GLU A  13      52.826  18.019  16.972  1.00 11.73           O  
-ATOM    102  CB  GLU A  13      52.771  20.859  15.278  1.00 23.70           C  
-ATOM    103  CG  GLU A  13      53.873  21.404  16.191  1.00 33.43           C  
-ATOM    104  CD  GLU A  13      54.263  22.848  15.863  1.00 39.23           C  
-ATOM    105  OE1 GLU A  13      54.820  23.085  14.760  1.00 42.95           O  
-ATOM    106  OE2 GLU A  13      54.028  23.742  16.720  1.00 41.12           O  
-ATOM    107  N   ALA A  14      50.917  18.221  15.805  1.00 15.06           N  
-ATOM    108  CA  ALA A  14      50.147  17.355  16.710  1.00 14.89           C  
-ATOM    109  C   ALA A  14      50.719  15.935  16.709  1.00 14.25           C  
-ATOM    110  O   ALA A  14      50.819  15.302  17.753  1.00 16.23           O  
-ATOM    111  CB  ALA A  14      48.682  17.317  16.295  1.00 13.33           C  
-ATOM    112  N   LEU A  15      51.035  15.421  15.522  1.00 14.77           N  
-ATOM    113  CA  LEU A  15      51.607  14.082  15.360  1.00 15.29           C  
-ATOM    114  C   LEU A  15      52.946  14.004  16.084  1.00 17.06           C  
-ATOM    115  O   LEU A  15      53.346  12.941  16.586  1.00 16.49           O  
-ATOM    116  CB  LEU A  15      51.805  13.776  13.870  1.00 11.21           C  
-ATOM    117  CG  LEU A  15      50.874  12.783  13.177  1.00 13.60           C  
-ATOM    118  CD1 LEU A  15      49.461  12.892  13.680  1.00 16.67           C  
-ATOM    119  CD2 LEU A  15      50.928  13.017  11.689  1.00 15.75           C  
-ATOM    120  N   ASP A  16      53.636  15.139  16.126  1.00 18.53           N  
-ATOM    121  CA  ASP A  16      54.929  15.253  16.785  1.00 19.41           C  
-ATOM    122  C   ASP A  16      54.739  15.247  18.307  1.00 18.48           C  
-ATOM    123  O   ASP A  16      55.203  14.348  19.006  1.00 19.28           O  
-ATOM    124  CB  ASP A  16      55.590  16.570  16.350  1.00 25.92           C  
-ATOM    125  CG  ASP A  16      57.100  16.500  16.348  1.00 29.91           C  
-ATOM    126  OD1 ASP A  16      57.688  16.299  17.431  1.00 30.12           O  
-ATOM    127  OD2 ASP A  16      57.693  16.661  15.255  1.00 35.19           O  
-ATOM    128  N   ALA A  17      53.991  16.225  18.805  1.00 15.24           N  
-ATOM    129  CA  ALA A  17      53.733  16.370  20.237  1.00 16.82           C  
-ATOM    130  C   ALA A  17      53.074  15.139  20.874  1.00 15.71           C  
-ATOM    131  O   ALA A  17      53.086  14.979  22.098  1.00 15.05           O  
-ATOM    132  CB  ALA A  17      52.871  17.631  20.487  1.00 15.54           C  
-ATOM    133  N   ALA A  18      52.529  14.263  20.035  1.00 15.78           N  
-ATOM    134  CA  ALA A  18      51.842  13.063  20.500  1.00 17.25           C  
-ATOM    135  C   ALA A  18      52.745  12.126  21.287  1.00 17.73           C  
-ATOM    136  O   ALA A  18      52.281  11.408  22.178  1.00 18.60           O  
-ATOM    137  CB  ALA A  18      51.225  12.324  19.327  1.00 13.49           C  
-ATOM    138  N   GLY A  19      54.034  12.154  20.974  1.00 19.75           N  
-ATOM    139  CA  GLY A  19      54.963  11.281  21.659  1.00 20.00           C  
-ATOM    140  C   GLY A  19      54.670   9.823  21.342  1.00 19.46           C  
-ATOM    141  O   GLY A  19      54.588   9.438  20.172  1.00 19.28           O  
-ATOM    142  N   ASP A  20      54.450   9.036  22.386  1.00 19.46           N  
-ATOM    143  CA  ASP A  20      54.189   7.607  22.255  1.00 23.79           C  
-ATOM    144  C   ASP A  20      52.708   7.237  22.230  1.00 21.78           C  
-ATOM    145  O   ASP A  20      52.364   6.059  22.157  1.00 21.78           O  
-ATOM    146  CB  ASP A  20      54.883   6.847  23.395  1.00 27.60           C  
-ATOM    147  CG  ASP A  20      54.511   7.395  24.783  1.00 35.84           C  
-ATOM    148  OD1 ASP A  20      54.776   8.591  25.051  1.00 40.16           O  
-ATOM    149  OD2 ASP A  20      53.963   6.632  25.612  1.00 38.02           O  
-ATOM    150  N   LYS A  21      51.836   8.234  22.293  1.00 18.39           N  
-ATOM    151  CA  LYS A  21      50.407   7.978  22.307  1.00 15.89           C  
-ATOM    152  C   LYS A  21      49.803   7.651  20.939  1.00 15.06           C  
-ATOM    153  O   LYS A  21      50.320   8.068  19.898  1.00 13.63           O  
-ATOM    154  CB  LYS A  21      49.670   9.183  22.884  1.00 17.97           C  
-ATOM    155  CG  LYS A  21      49.909   9.430  24.361  1.00 20.72           C  
-ATOM    156  CD  LYS A  21      49.037  10.571  24.877  1.00 25.87           C  
-ATOM    157  CE  LYS A  21      49.435  11.053  26.263  1.00 24.88           C  
-ATOM    158  NZ  LYS A  21      49.388  12.514  26.394  1.00 26.88           N  
-ATOM    159  N   LEU A  22      48.715   6.878  20.957  1.00 12.37           N  
-ATOM    160  CA  LEU A  22      47.997   6.549  19.735  1.00 11.79           C  
-ATOM    161  C   LEU A  22      47.223   7.811  19.306  1.00 10.62           C  
-ATOM    162  O   LEU A  22      46.657   8.510  20.146  1.00 10.45           O  
-ATOM    163  CB  LEU A  22      46.982   5.413  19.970  1.00 11.94           C  
-ATOM    164  CG  LEU A  22      46.112   5.083  18.740  1.00 10.78           C  
-ATOM    165  CD1 LEU A  22      46.971   4.420  17.664  1.00 10.34           C  
-ATOM    166  CD2 LEU A  22      44.947   4.185  19.126  1.00 11.64           C  
-ATOM    167  N   VAL A  23      47.215   8.097  18.008  1.00 10.19           N  
-ATOM    168  CA  VAL A  23      46.495   9.244  17.474  1.00 10.71           C  
-ATOM    169  C   VAL A  23      45.405   8.721  16.536  1.00 10.68           C  
-ATOM    170  O   VAL A  23      45.666   7.876  15.674  1.00  7.55           O  
-ATOM    171  CB  VAL A  23      47.443  10.216  16.693  1.00  9.38           C  
-ATOM    172  CG1 VAL A  23      46.657  11.426  16.147  1.00 10.43           C  
-ATOM    173  CG2 VAL A  23      48.569  10.700  17.598  1.00  9.44           C  
-ATOM    174  N   VAL A  24      44.178   9.193  16.742  1.00  9.49           N  
-ATOM    175  CA  VAL A  24      43.049   8.808  15.902  1.00 10.55           C  
-ATOM    176  C   VAL A  24      42.581  10.091  15.206  1.00  9.23           C  
-ATOM    177  O   VAL A  24      42.391  11.120  15.862  1.00  9.65           O  
-ATOM    178  CB  VAL A  24      41.890   8.183  16.745  1.00 12.17           C  
-ATOM    179  CG1 VAL A  24      40.741   7.758  15.847  1.00 12.96           C  
-ATOM    180  CG2 VAL A  24      42.395   6.971  17.500  1.00 13.68           C  
-ATOM    181  N   VAL A  25      42.513  10.050  13.875  1.00 10.14           N  
-ATOM    182  CA  VAL A  25      42.082  11.189  13.055  1.00  8.24           C  
-ATOM    183  C   VAL A  25      40.779  10.860  12.313  1.00 10.23           C  
-ATOM    184  O   VAL A  25      40.696   9.836  11.604  1.00 10.32           O  
-ATOM    185  CB  VAL A  25      43.127  11.538  11.960  1.00  9.55           C  
-ATOM    186  CG1 VAL A  25      42.749  12.847  11.274  1.00  6.50           C  
-ATOM    187  CG2 VAL A  25      44.546  11.620  12.547  1.00  9.58           C  
-ATOM    188  N   ASP A  26      39.783  11.736  12.463  1.00  8.16           N  
-ATOM    189  CA  ASP A  26      38.493  11.603  11.805  1.00  5.67           C  
-ATOM    190  C   ASP A  26      38.442  12.579  10.612  1.00  7.03           C  
-ATOM    191  O   ASP A  26      38.457  13.796  10.808  1.00  6.92           O  
-ATOM    192  CB  ASP A  26      37.378  11.912  12.831  1.00  9.52           C  
-ATOM    193  CG  ASP A  26      35.946  11.950  12.221  1.00 10.94           C  
-ATOM    194  OD1 ASP A  26      35.724  11.687  11.016  1.00 14.38           O  
-ATOM    195  OD2 ASP A  26      35.012  12.260  12.987  1.00 18.77           O  
-ATOM    196  N   PHE A  27      38.458  12.055   9.388  1.00  5.52           N  
-ATOM    197  CA  PHE A  27      38.361  12.898   8.184  1.00  8.10           C  
-ATOM    198  C   PHE A  27      36.876  13.003   7.798  1.00 10.78           C  
-ATOM    199  O   PHE A  27      36.244  11.993   7.460  1.00  9.71           O  
-ATOM    200  CB  PHE A  27      39.146  12.295   7.024  1.00  6.89           C  
-ATOM    201  CG  PHE A  27      40.640  12.429   7.170  1.00  9.26           C  
-ATOM    202  CD1 PHE A  27      41.300  13.562   6.699  1.00  8.88           C  
-ATOM    203  CD2 PHE A  27      41.394  11.410   7.754  1.00  8.69           C  
-ATOM    204  CE1 PHE A  27      42.691  13.677   6.798  1.00  8.74           C  
-ATOM    205  CE2 PHE A  27      42.785  11.520   7.859  1.00  9.23           C  
-ATOM    206  CZ  PHE A  27      43.435  12.650   7.380  1.00  7.65           C  
-ATOM    207  N   SER A  28      36.311  14.205   7.846  1.00  9.89           N  
-ATOM    208  CA  SER A  28      34.899  14.348   7.532  1.00 12.02           C  
-ATOM    209  C   SER A  28      34.529  15.530   6.627  1.00 11.18           C  
-ATOM    210  O   SER A  28      35.387  16.353   6.263  1.00  9.93           O  
-ATOM    211  CB  SER A  28      34.100  14.402   8.835  1.00 14.69           C  
-ATOM    212  OG  SER A  28      34.289  15.645   9.490  1.00 20.69           O  
-ATOM    213  N   ALA A  29      33.247  15.576   6.265  1.00 11.77           N  
-ATOM    214  CA  ALA A  29      32.669  16.610   5.402  1.00 15.34           C  
-ATOM    215  C   ALA A  29      31.318  16.984   6.041  1.00 17.05           C  
-ATOM    216  O   ALA A  29      30.550  16.106   6.461  1.00 17.44           O  
-ATOM    217  CB  ALA A  29      32.425  16.051   3.994  1.00 15.17           C  
-ATOM    218  N   THR A  30      31.033  18.270   6.110  1.00 18.83           N  
-ATOM    219  CA  THR A  30      29.817  18.771   6.798  1.00 20.91           C  
-ATOM    220  C   THR A  30      28.494  18.270   6.180  1.00 20.34           C  
-ATOM    221  O   THR A  30      27.478  18.134   6.876  1.00 21.61           O  
-ATOM    222  CB  THR A  30      29.769  20.302   6.796  1.00 22.27           C  
-ATOM    223  OG1 THR A  30      30.180  20.810   5.539  1.00 23.43           O  
-ATOM    224  CG2 THR A  30      30.673  20.919   7.866  1.00 23.28           C  
-ATOM    225  N   TRP A  31      28.500  17.990   4.891  1.00 17.48           N  
-ATOM    226  CA  TRP A  31      27.267  17.578   4.183  1.00 20.00           C  
-ATOM    227  C   TRP A  31      27.014  16.042   4.206  1.00 20.95           C  
-ATOM    228  O   TRP A  31      25.981  15.559   3.722  1.00 21.28           O  
-ATOM    229  CB  TRP A  31      27.326  18.012   2.712  1.00 20.84           C  
-ATOM    230  CG  TRP A  31      28.621  17.595   2.007  1.00 19.30           C  
-ATOM    231  CD1 TRP A  31      29.708  18.352   1.800  1.00 20.08           C  
-ATOM    232  CD2 TRP A  31      28.873  16.314   1.450  1.00 18.80           C  
-ATOM    233  NE1 TRP A  31      30.662  17.541   1.106  1.00 18.86           N  
-ATOM    234  CE2 TRP A  31      30.153  16.349   0.913  1.00 17.26           C  
-ATOM    235  CE3 TRP A  31      28.127  15.134   1.360  1.00 20.45           C  
-ATOM    236  CZ2 TRP A  31      30.748  15.251   0.280  1.00 16.01           C  
-ATOM    237  CZ3 TRP A  31      28.734  14.033   0.720  1.00 17.45           C  
-ATOM    238  CH2 TRP A  31      29.983  14.090   0.207  1.00 18.39           C  
-ATOM    239  N   CYS A  32      27.933  15.261   4.777  1.00 21.12           N  
-ATOM    240  CA  CYS A  32      27.818  13.762   4.778  1.00 19.66           C  
-ATOM    241  C   CYS A  32      27.126  13.221   6.062  1.00 19.18           C  
-ATOM    242  O   CYS A  32      27.669  13.334   7.174  1.00 18.00           O  
-ATOM    243  CB  CYS A  32      29.206  13.136   4.641  1.00 22.09           C  
-ATOM    244  SG  CYS A  32      29.154  11.287   4.446  1.00 25.09           S  
-ATOM    245  N   GLY A  33      25.956  12.628   5.802  1.00 17.17           N  
-ATOM    246  CA  GLY A  33      25.008  12.054   6.803  1.00 18.13           C  
-ATOM    247  C   GLY A  33      25.684  11.185   7.888  1.00 16.99           C  
-ATOM    248  O   GLY A  33      25.483  11.406   9.092  1.00 15.99           O  
-ATOM    249  N   PRO A  34      26.488  10.158   7.545  1.00 17.18           N  
-ATOM    250  CA  PRO A  34      27.136   9.295   8.556  1.00 14.86           C  
-ATOM    251  C   PRO A  34      28.069  10.069   9.447  1.00 14.29           C  
-ATOM    252  O   PRO A  34      28.073   9.838  10.699  1.00 13.61           O  
-ATOM    253  CB  PRO A  34      27.913   8.299   7.724  1.00 14.51           C  
-ATOM    254  CG  PRO A  34      27.692   8.634   6.252  1.00 19.08           C  
-ATOM    255  CD  PRO A  34      26.783   9.819   6.149  1.00 15.78           C  
-ATOM    256  N   CYS A  35      28.837  10.924   8.806  1.00 13.06           N  
-ATOM    257  CA  CYS A  35      29.807  11.758   9.505  1.00 13.96           C  
-ATOM    258  C   CYS A  35      29.119  12.467  10.674  1.00 15.69           C  
-ATOM    259  O   CYS A  35      29.597  12.420  11.815  1.00 14.82           O  
-ATOM    260  CB  CYS A  35      30.390  12.816   8.563  1.00 12.02           C  
-ATOM    261  SG  CYS A  35      31.673  12.139   7.397  1.00 12.53           S  
-ATOM    262  N   LYS A  36      27.991  13.117  10.390  1.00 18.75           N  
-ATOM    263  CA  LYS A  36      27.229  13.830  11.414  1.00 19.75           C  
-ATOM    264  C   LYS A  36      26.639  12.862  12.433  1.00 19.77           C  
-ATOM    265  O   LYS A  36      26.548  13.162  13.615  1.00 19.86           O  
-ATOM    266  CB  LYS A  36      26.125  14.662  10.761  1.00 23.22           C  
-ATOM    267  CG  LYS A  36      26.667  15.761   9.838  1.00 25.34           C  
-ATOM    268  CD  LYS A  36      25.560  16.619   9.201  1.00 29.03           C  
-ATOM    269  CE  LYS A  36      24.788  15.868   8.128  1.00 29.61           C  
-ATOM    270  NZ  LYS A  36      24.031  16.816   7.244  1.00 28.95           N  
-ATOM    271  N   MET A  37      26.308  11.668  11.965  1.00 20.83           N  
-ATOM    272  CA  MET A  37      25.741  10.624  12.800  1.00 23.10           C  
-ATOM    273  C   MET A  37      26.716  10.114  13.861  1.00 22.60           C  
-ATOM    274  O   MET A  37      26.320   9.842  14.990  1.00 20.32           O  
-ATOM    275  CB  MET A  37      25.344   9.447  11.918  1.00 27.24           C  
-ATOM    276  CG  MET A  37      24.123   8.740  12.380  1.00 36.51           C  
-ATOM    277  SD  MET A  37      22.688   9.674  11.831  1.00 47.00           S  
-ATOM    278  CE  MET A  37      21.537   8.276  11.504  1.00 43.71           C  
-ATOM    279  N   ILE A  38      27.987   9.963  13.486  1.00 21.27           N  
-ATOM    280  CA  ILE A  38      29.002   9.436  14.410  1.00 19.30           C  
-ATOM    281  C   ILE A  38      29.807  10.450  15.238  1.00 18.60           C  
-ATOM    282  O   ILE A  38      30.569  10.055  16.128  1.00 15.59           O  
-ATOM    283  CB  ILE A  38      29.973   8.470  13.665  1.00 17.42           C  
-ATOM    284  CG1 ILE A  38      30.610   7.501  14.671  1.00 17.19           C  
-ATOM    285  CG2 ILE A  38      31.022   9.258  12.881  1.00 14.51           C  
-ATOM    286  CD1 ILE A  38      31.131   6.229  14.063  1.00 17.55           C  
-ATOM    287  N   LYS A  39      29.606  11.740  14.972  1.00 18.60           N  
-ATOM    288  CA  LYS A  39      30.314  12.813  15.669  1.00 18.43           C  
-ATOM    289  C   LYS A  39      30.207  12.781  17.207  1.00 17.32           C  
-ATOM    290  O   LYS A  39      31.224  12.887  17.902  1.00 16.39           O  
-ATOM    291  CB  LYS A  39      29.848  14.169  15.136  1.00 23.41           C  
-ATOM    292  CG  LYS A  39      30.855  15.295  15.278  1.00 26.51           C  
-ATOM    293  CD  LYS A  39      30.195  16.657  15.018  1.00 30.93           C  
-ATOM    294  CE  LYS A  39      31.219  17.781  14.858  1.00 34.17           C  
-ATOM    295  NZ  LYS A  39      32.309  17.767  15.889  1.00 36.51           N  
-ATOM    296  N   PRO A  40      28.979  12.648  17.761  1.00 16.89           N  
-ATOM    297  CA  PRO A  40      28.851  12.610  19.234  1.00 16.73           C  
-ATOM    298  C   PRO A  40      29.604  11.431  19.865  1.00 15.42           C  
-ATOM    299  O   PRO A  40      30.223  11.578  20.926  1.00 15.03           O  
-ATOM    300  CB  PRO A  40      27.340  12.475  19.452  1.00 18.59           C  
-ATOM    301  CG  PRO A  40      26.722  13.035  18.169  1.00 17.86           C  
-ATOM    302  CD  PRO A  40      27.662  12.555  17.101  1.00 17.07           C  
-ATOM    303  N   PHE A  41      29.533  10.261  19.232  1.00 15.51           N  
-ATOM    304  CA  PHE A  41      30.227   9.071  19.739  1.00 13.00           C  
-ATOM    305  C   PHE A  41      31.731   9.303  19.707  1.00 12.11           C  
-ATOM    306  O   PHE A  41      32.412   8.955  20.659  1.00 11.63           O  
-ATOM    307  CB  PHE A  41      29.868   7.817  18.931  1.00 13.52           C  
-ATOM    308  CG  PHE A  41      30.489   6.539  19.465  1.00 16.65           C  
-ATOM    309  CD1 PHE A  41      30.101   6.022  20.701  1.00 18.11           C  
-ATOM    310  CD2 PHE A  41      31.478   5.866  18.740  1.00 15.54           C  
-ATOM    311  CE1 PHE A  41      30.689   4.856  21.204  1.00 16.99           C  
-ATOM    312  CE2 PHE A  41      32.060   4.718  19.235  1.00 14.56           C  
-ATOM    313  CZ  PHE A  41      31.667   4.208  20.470  1.00 14.01           C  
-ATOM    314  N   PHE A  42      32.248   9.895  18.624  1.00  9.01           N  
-ATOM    315  CA  PHE A  42      33.685  10.180  18.514  1.00  8.36           C  
-ATOM    316  C   PHE A  42      34.140  11.082  19.685  1.00 10.38           C  
-ATOM    317  O   PHE A  42      35.168  10.818  20.328  1.00  9.59           O  
-ATOM    318  CB  PHE A  42      34.005  10.824  17.150  1.00  6.90           C  
-ATOM    319  CG  PHE A  42      35.490  10.957  16.861  1.00  8.39           C  
-ATOM    320  CD1 PHE A  42      36.265   9.835  16.567  1.00 11.05           C  
-ATOM    321  CD2 PHE A  42      36.108  12.210  16.854  1.00  9.24           C  
-ATOM    322  CE1 PHE A  42      37.638   9.950  16.267  1.00 10.04           C  
-ATOM    323  CE2 PHE A  42      37.484  12.338  16.554  1.00  8.71           C  
-ATOM    324  CZ  PHE A  42      38.247  11.205  16.260  1.00  8.99           C  
-ATOM    325  N   HIS A  43      33.340  12.086  20.022  1.00 10.61           N  
-ATOM    326  CA  HIS A  43      33.696  12.958  21.124  1.00 14.53           C  
-ATOM    327  C   HIS A  43      33.647  12.213  22.466  1.00 13.17           C  
-ATOM    328  O   HIS A  43      34.474  12.455  23.335  1.00 14.88           O  
-ATOM    329  CB  HIS A  43      32.797  14.203  21.164  1.00 19.94           C  
-ATOM    330  CG  HIS A  43      33.325  15.300  22.041  1.00 28.94           C  
-ATOM    331  ND1 HIS A  43      32.837  15.551  23.308  1.00 29.12           N  
-ATOM    332  CD2 HIS A  43      34.337  16.185  21.849  1.00 30.48           C  
-ATOM    333  CE1 HIS A  43      33.524  16.536  23.859  1.00 29.36           C  
-ATOM    334  NE2 HIS A  43      34.442  16.939  22.997  1.00 31.54           N  
-ATOM    335  N   SER A  44      32.701  11.289  22.629  1.00 13.50           N  
-ATOM    336  CA  SER A  44      32.603  10.538  23.881  1.00 12.64           C  
-ATOM    337  C   SER A  44      33.857   9.694  24.105  1.00 11.97           C  
-ATOM    338  O   SER A  44      34.350   9.586  25.234  1.00 13.14           O  
-ATOM    339  CB  SER A  44      31.333   9.666  23.919  1.00 15.29           C  
-ATOM    340  OG  SER A  44      31.501   8.430  23.241  1.00 20.44           O  
-ATOM    341  N   LEU A  45      34.402   9.149  23.020  1.00 10.69           N  
-ATOM    342  CA  LEU A  45      35.606   8.332  23.087  1.00 11.45           C  
-ATOM    343  C   LEU A  45      36.776   9.159  23.629  1.00 12.35           C  
-ATOM    344  O   LEU A  45      37.581   8.656  24.421  1.00  9.11           O  
-ATOM    345  CB  LEU A  45      35.946   7.773  21.701  1.00 13.89           C  
-ATOM    346  CG  LEU A  45      35.834   6.268  21.383  1.00 15.15           C  
-ATOM    347  CD1 LEU A  45      35.104   5.492  22.455  1.00 15.09           C  
-ATOM    348  CD2 LEU A  45      35.182   6.078  20.031  1.00 13.42           C  
-ATOM    349  N   SER A  46      36.841  10.437  23.266  1.00 13.11           N  
-ATOM    350  CA  SER A  46      37.957  11.262  23.737  1.00 15.55           C  
-ATOM    351  C   SER A  46      37.899  11.549  25.229  1.00 16.96           C  
-ATOM    352  O   SER A  46      38.918  11.870  25.835  1.00 18.75           O  
-ATOM    353  CB  SER A  46      38.109  12.558  22.928  1.00 15.17           C  
-ATOM    354  OG  SER A  46      36.978  13.394  23.052  1.00 18.24           O  
-ATOM    355  N   GLU A  47      36.713  11.423  25.820  1.00 16.92           N  
-ATOM    356  CA  GLU A  47      36.558  11.650  27.252  1.00 18.52           C  
-ATOM    357  C   GLU A  47      36.789  10.349  28.029  1.00 18.18           C  
-ATOM    358  O   GLU A  47      37.222  10.372  29.176  1.00 20.34           O  
-ATOM    359  CB  GLU A  47      35.182  12.221  27.556  1.00 20.98           C  
-ATOM    360  CG  GLU A  47      34.965  13.615  27.008  1.00 25.89           C  
-ATOM    361  CD  GLU A  47      33.527  14.088  27.145  1.00 31.65           C  
-ATOM    362  OE1 GLU A  47      32.676  13.308  27.627  1.00 35.17           O  
-ATOM    363  OE2 GLU A  47      33.237  15.248  26.768  1.00 36.66           O  
-ATOM    364  N   LYS A  48      36.524   9.221  27.386  1.00 14.96           N  
-ATOM    365  CA  LYS A  48      36.701   7.917  27.995  1.00 16.87           C  
-ATOM    366  C   LYS A  48      38.159   7.481  28.018  1.00 18.64           C  
-ATOM    367  O   LYS A  48      38.642   6.970  29.030  1.00 21.17           O  
-ATOM    368  CB  LYS A  48      35.867   6.866  27.262  1.00 12.59           C  
-ATOM    369  CG  LYS A  48      36.086   5.448  27.756  1.00 13.39           C  
-ATOM    370  CD  LYS A  48      35.082   4.485  27.126  1.00 13.35           C  
-ATOM    371  CE  LYS A  48      35.268   3.062  27.617  1.00 10.12           C  
-ATOM    372  NZ  LYS A  48      34.321   2.179  26.884  1.00 11.42           N  
-ATOM    373  N   TYR A  49      38.842   7.639  26.887  1.00 18.27           N  
-ATOM    374  CA  TYR A  49      40.246   7.265  26.750  1.00 17.06           C  
-ATOM    375  C   TYR A  49      41.117   8.520  26.765  1.00 18.70           C  
-ATOM    376  O   TYR A  49      41.349   9.118  25.720  1.00 16.67           O  
-ATOM    377  CB  TYR A  49      40.476   6.528  25.419  1.00 17.60           C  
-ATOM    378  CG  TYR A  49      39.750   5.207  25.260  1.00 16.00           C  
-ATOM    379  CD1 TYR A  49      40.303   4.023  25.747  1.00 15.67           C  
-ATOM    380  CD2 TYR A  49      38.524   5.135  24.595  1.00 14.02           C  
-ATOM    381  CE1 TYR A  49      39.662   2.799  25.573  1.00 13.73           C  
-ATOM    382  CE2 TYR A  49      37.868   3.910  24.417  1.00 11.85           C  
-ATOM    383  CZ  TYR A  49      38.450   2.748  24.908  1.00 13.46           C  
-ATOM    384  OH  TYR A  49      37.835   1.523  24.711  1.00 15.47           O  
-ATOM    385  N   SER A  50      41.609   8.913  27.938  1.00 18.49           N  
-ATOM    386  CA  SER A  50      42.457  10.103  28.054  1.00 20.60           C  
-ATOM    387  C   SER A  50      43.926   9.876  27.640  1.00 19.45           C  
-ATOM    388  O   SER A  50      44.692  10.825  27.513  1.00 20.31           O  
-ATOM    389  CB  SER A  50      42.393  10.654  29.478  1.00 22.27           C  
-ATOM    390  OG  SER A  50      42.620   9.619  30.411  1.00 28.45           O  
-ATOM    391  N   ASN A  51      44.299   8.627  27.386  1.00 19.17           N  
-ATOM    392  CA  ASN A  51      45.659   8.281  26.973  1.00 20.95           C  
-ATOM    393  C   ASN A  51      45.765   8.090  25.444  1.00 21.20           C  
-ATOM    394  O   ASN A  51      46.679   7.421  24.944  1.00 23.55           O  
-ATOM    395  CB  ASN A  51      46.128   7.022  27.714  1.00 22.22           C  
-ATOM    396  CG  ASN A  51      45.207   5.819  27.493  1.00 26.87           C  
-ATOM    397  OD1 ASN A  51      45.674   4.725  27.156  1.00 29.18           O  
-ATOM    398  ND2 ASN A  51      43.905   5.996  27.747  1.00 24.21           N  
-ATOM    399  N   VAL A  52      44.827   8.687  24.713  1.00 17.66           N  
-ATOM    400  CA  VAL A  52      44.772   8.601  23.250  1.00 14.23           C  
-ATOM    401  C   VAL A  52      44.399  10.011  22.780  1.00 12.97           C  
-ATOM    402  O   VAL A  52      43.589  10.688  23.413  1.00 11.94           O  
-ATOM    403  CB  VAL A  52      43.649   7.612  22.760  1.00 15.43           C  
-ATOM    404  CG1 VAL A  52      43.568   7.615  21.216  1.00 14.39           C  
-ATOM    405  CG2 VAL A  52      43.888   6.182  23.269  1.00 10.98           C  
-ATOM    406  N   ILE A  53      44.988  10.447  21.678  1.00 13.60           N  
-ATOM    407  CA  ILE A  53      44.730  11.781  21.136  1.00 12.62           C  
-ATOM    408  C   ILE A  53      43.779  11.652  19.943  1.00 12.47           C  
-ATOM    409  O   ILE A  53      44.015  10.844  19.046  1.00  9.98           O  
-ATOM    410  CB  ILE A  53      46.090  12.480  20.742  1.00 13.60           C  
-ATOM    411  CG1 ILE A  53      46.856  12.858  22.008  1.00 16.56           C  
-ATOM    412  CG2 ILE A  53      45.874  13.733  19.906  1.00 11.85           C  
-ATOM    413  CD1 ILE A  53      48.336  12.950  21.787  1.00 19.83           C  
-ATOM    414  N   PHE A  54      42.694  12.431  19.977  1.00 12.78           N  
-ATOM    415  CA  PHE A  54      41.660  12.453  18.930  1.00 11.95           C  
-ATOM    416  C   PHE A  54      41.705  13.778  18.167  1.00 12.71           C  
-ATOM    417  O   PHE A  54      41.633  14.854  18.780  1.00 10.76           O  
-ATOM    418  CB  PHE A  54      40.262  12.255  19.544  1.00 12.13           C  
-ATOM    419  CG  PHE A  54      40.081  10.917  20.210  1.00 11.22           C  
-ATOM    420  CD1 PHE A  54      40.512  10.711  21.518  1.00 11.17           C  
-ATOM    421  CD2 PHE A  54      39.500   9.858  19.527  1.00 11.21           C  
-ATOM    422  CE1 PHE A  54      40.361   9.450  22.135  1.00 10.43           C  
-ATOM    423  CE2 PHE A  54      39.344   8.595  20.137  1.00  9.75           C  
-ATOM    424  CZ  PHE A  54      39.776   8.398  21.436  1.00  5.16           C  
-ATOM    425  N   LEU A  55      41.794  13.692  16.839  1.00 10.78           N  
-ATOM    426  CA  LEU A  55      41.897  14.863  15.975  1.00 12.73           C  
-ATOM    427  C   LEU A  55      40.799  14.820  14.914  1.00 13.15           C  
-ATOM    428  O   LEU A  55      40.430  13.728  14.464  1.00 12.59           O  
-ATOM    429  CB  LEU A  55      43.245  14.848  15.235  1.00 12.59           C  
-ATOM    430  CG  LEU A  55      44.544  15.445  15.784  1.00 16.29           C  
-ATOM    431  CD1 LEU A  55      44.698  15.174  17.242  1.00 17.07           C  
-ATOM    432  CD2 LEU A  55      45.737  14.901  14.994  1.00 16.13           C  
-ATOM    433  N   GLU A  56      40.284  15.991  14.532  1.00 11.26           N  
-ATOM    434  CA  GLU A  56      39.270  16.090  13.487  1.00 11.47           C  
-ATOM    435  C   GLU A  56      39.760  16.999  12.366  1.00  8.90           C  
-ATOM    436  O   GLU A  56      40.275  18.090  12.617  1.00  9.67           O  
-ATOM    437  CB  GLU A  56      37.923  16.587  14.016  1.00 14.67           C  
-ATOM    438  CG  GLU A  56      37.005  17.015  12.877  1.00 20.71           C  
-ATOM    439  CD  GLU A  56      35.532  16.804  13.139  1.00 25.20           C  
-ATOM    440  OE1 GLU A  56      35.104  16.862  14.316  1.00 30.87           O  
-ATOM    441  OE2 GLU A  56      34.792  16.593  12.157  1.00 26.22           O  
-ATOM    442  N   VAL A  57      39.570  16.551  11.132  1.00  7.06           N  
-ATOM    443  CA  VAL A  57      40.002  17.287   9.961  1.00  8.07           C  
-ATOM    444  C   VAL A  57      38.897  17.344   8.914  1.00  9.72           C  
-ATOM    445  O   VAL A  57      38.491  16.301   8.382  1.00  7.84           O  
-ATOM    446  CB  VAL A  57      41.221  16.603   9.292  1.00  9.06           C  
-ATOM    447  CG1 VAL A  57      41.546  17.289   7.964  1.00  7.37           C  
-ATOM    448  CG2 VAL A  57      42.421  16.594  10.237  1.00  8.98           C  
-ATOM    449  N   ASP A  58      38.396  18.546   8.632  1.00 10.55           N  
-ATOM    450  CA  ASP A  58      37.362  18.730   7.607  1.00 10.70           C  
-ATOM    451  C   ASP A  58      38.108  18.712   6.280  1.00  8.28           C  
-ATOM    452  O   ASP A  58      38.954  19.559   6.048  1.00  9.07           O  
-ATOM    453  CB  ASP A  58      36.673  20.081   7.784  1.00 12.85           C  
-ATOM    454  CG  ASP A  58      35.569  20.302   6.785  1.00 15.42           C  
-ATOM    455  OD1 ASP A  58      35.858  20.428   5.585  1.00 16.47           O  
-ATOM    456  OD2 ASP A  58      34.398  20.335   7.202  1.00 20.05           O  
-ATOM    457  N   VAL A  59      37.752  17.793   5.394  1.00  8.88           N  
-ATOM    458  CA  VAL A  59      38.443  17.662   4.105  1.00 11.43           C  
-ATOM    459  C   VAL A  59      38.338  18.881   3.202  1.00 13.42           C  
-ATOM    460  O   VAL A  59      39.183  19.095   2.321  1.00 12.75           O  
-ATOM    461  CB  VAL A  59      37.958  16.432   3.309  1.00 11.95           C  
-ATOM    462  CG1 VAL A  59      38.219  15.110   4.034  1.00  8.51           C  
-ATOM    463  CG2 VAL A  59      36.455  16.459   3.024  1.00 11.24           C  
-ATOM    464  N   ASN A  60      37.329  19.680   3.401  1.00 17.28           N  
-ATOM    465  CA  ASN A  60      37.158  20.865   2.560  1.00 20.15           C  
-ATOM    466  C   ASN A  60      38.090  21.989   3.044  1.00 19.44           C  
-ATOM    467  O   ASN A  60      38.651  22.744   2.237  1.00 20.58           O  
-ATOM    468  CB  ASN A  60      35.706  21.316   2.569  1.00 28.02           C  
-ATOM    469  CG  ASN A  60      35.361  22.199   1.369  1.00 36.40           C  
-ATOM    470  OD1 ASN A  60      34.913  23.330   1.546  1.00 41.80           O  
-ATOM    471  ND2 ASN A  60      35.549  21.748   0.142  1.00 37.76           N  
-ATOM    472  N   ASP A  61      38.239  22.054   4.357  1.00 13.13           N  
-ATOM    473  CA  ASP A  61      39.082  23.066   5.028  1.00 12.30           C  
-ATOM    474  C   ASP A  61      40.581  22.838   4.749  1.00 11.41           C  
-ATOM    475  O   ASP A  61      41.339  23.784   4.509  1.00 13.30           O  
-ATOM    476  CB  ASP A  61      38.893  23.000   6.542  1.00  9.90           C  
-ATOM    477  CG  ASP A  61      37.623  23.697   7.029  1.00  9.41           C  
-ATOM    478  OD1 ASP A  61      36.810  24.227   6.182  1.00 11.48           O  
-ATOM    479  OD2 ASP A  61      37.366  23.750   8.293  1.00 13.11           O  
-ATOM    480  N   CYS A  62      40.996  21.581   4.806  1.00 10.67           N  
-ATOM    481  CA  CYS A  62      42.409  21.189   4.571  1.00 10.48           C  
-ATOM    482  C   CYS A  62      42.490  20.223   3.394  1.00 11.20           C  
-ATOM    483  O   CYS A  62      42.735  19.028   3.579  1.00 11.36           O  
-ATOM    484  CB  CYS A  62      42.974  20.479   5.804  1.00  9.08           C  
-ATOM    485  SG  CYS A  62      42.760  21.447   7.374  1.00 16.66           S  
-ATOM    486  N   GLN A  63      42.330  20.748   2.187  1.00 10.59           N  
-ATOM    487  CA  GLN A  63      42.369  19.927   0.979  1.00 13.48           C  
-ATOM    488  C   GLN A  63      43.734  19.302   0.750  1.00 14.48           C  
-ATOM    489  O   GLN A  63      43.836  18.188   0.224  1.00 12.18           O  
-ATOM    490  CB  GLN A  63      41.882  20.738  -0.229  1.00 12.45           C  
-ATOM    491  CG  GLN A  63      40.491  21.306   0.049  1.00 17.88           C  
-ATOM    492  CD  GLN A  63      39.833  21.983  -1.133  1.00 21.60           C  
-ATOM    493  OE1 GLN A  63      40.203  21.758  -2.291  1.00 21.96           O  
-ATOM    494  NE2 GLN A  63      38.817  22.800  -0.846  1.00 22.14           N  
-ATOM    495  N   ASP A  64      44.781  20.006   1.182  1.00 13.01           N  
-ATOM    496  CA  ASP A  64      46.136  19.488   1.048  1.00 12.37           C  
-ATOM    497  C   ASP A  64      46.383  18.264   1.932  1.00 11.91           C  
-ATOM    498  O   ASP A  64      46.946  17.287   1.465  1.00 12.53           O  
-ATOM    499  CB  ASP A  64      47.199  20.586   1.259  1.00 15.99           C  
-ATOM    500  CG  ASP A  64      47.038  21.355   2.571  1.00 18.36           C  
-ATOM    501  OD1 ASP A  64      45.947  21.308   3.207  1.00 17.85           O  
-ATOM    502  OD2 ASP A  64      48.029  22.041   2.953  1.00 20.65           O  
-ATOM    503  N   VAL A  65      45.883  18.281   3.167  1.00  9.77           N  
-ATOM    504  CA  VAL A  65      46.046  17.143   4.083  1.00 10.53           C  
-ATOM    505  C   VAL A  65      45.220  15.946   3.577  1.00 10.62           C  
-ATOM    506  O   VAL A  65      45.719  14.824   3.507  1.00 10.23           O  
-ATOM    507  CB  VAL A  65      45.627  17.503   5.557  1.00  9.64           C  
-ATOM    508  CG1 VAL A  65      45.729  16.270   6.481  1.00  9.54           C  
-ATOM    509  CG2 VAL A  65      46.500  18.629   6.102  1.00  7.98           C  
-ATOM    510  N   ALA A  66      43.981  16.199   3.162  1.00 11.69           N  
-ATOM    511  CA  ALA A  66      43.109  15.138   2.658  1.00  9.94           C  
-ATOM    512  C   ALA A  66      43.761  14.433   1.460  1.00 12.51           C  
-ATOM    513  O   ALA A  66      43.838  13.193   1.408  1.00 11.20           O  
-ATOM    514  CB  ALA A  66      41.766  15.708   2.258  1.00  8.38           C  
-ATOM    515  N   SER A  67      44.239  15.223   0.509  1.00 11.53           N  
-ATOM    516  CA  SER A  67      44.879  14.695  -0.687  1.00 13.58           C  
-ATOM    517  C   SER A  67      46.123  13.841  -0.383  1.00 14.29           C  
-ATOM    518  O   SER A  67      46.289  12.762  -0.956  1.00 14.77           O  
-ATOM    519  CB  SER A  67      45.243  15.851  -1.624  1.00 14.39           C  
-ATOM    520  OG  SER A  67      45.654  15.363  -2.889  1.00 21.21           O  
-ATOM    521  N   GLU A  68      46.983  14.306   0.520  1.00 14.09           N  
-ATOM    522  CA  GLU A  68      48.199  13.574   0.874  1.00 15.20           C  
-ATOM    523  C   GLU A  68      47.966  12.300   1.681  1.00 13.68           C  
-ATOM    524  O   GLU A  68      48.727  11.341   1.563  1.00 11.74           O  
-ATOM    525  CB  GLU A  68      49.181  14.498   1.588  1.00 18.62           C  
-ATOM    526  CG  GLU A  68      49.733  15.574   0.663  1.00 24.64           C  
-ATOM    527  CD  GLU A  68      50.636  16.554   1.370  1.00 28.93           C  
-ATOM    528  OE1 GLU A  68      51.068  16.262   2.512  1.00 30.01           O  
-ATOM    529  OE2 GLU A  68      50.906  17.623   0.777  1.00 29.89           O  
-ATOM    530  N   CYS A  69      46.940  12.299   2.525  1.00  9.23           N  
-ATOM    531  CA  CYS A  69      46.612  11.098   3.293  1.00 10.45           C  
-ATOM    532  C   CYS A  69      45.760  10.137   2.431  1.00  8.32           C  
-ATOM    533  O   CYS A  69      45.285   9.096   2.904  1.00  8.97           O  
-ATOM    534  CB  CYS A  69      45.890  11.467   4.586  1.00  8.43           C  
-ATOM    535  SG  CYS A  69      46.896  12.376   5.760  1.00 11.56           S  
-ATOM    536  N   GLU A  70      45.543  10.523   1.176  1.00 10.46           N  
-ATOM    537  CA  GLU A  70      44.794   9.743   0.206  1.00 13.51           C  
-ATOM    538  C   GLU A  70      43.404   9.311   0.644  1.00 13.16           C  
-ATOM    539  O   GLU A  70      43.024   8.154   0.471  1.00 11.90           O  
-ATOM    540  CB  GLU A  70      45.629   8.536  -0.238  1.00 17.15           C  
-ATOM    541  CG  GLU A  70      47.033   8.933  -0.706  1.00 22.44           C  
-ATOM    542  CD  GLU A  70      47.822   7.780  -1.292  1.00 24.34           C  
-ATOM    543  OE1 GLU A  70      48.205   6.871  -0.529  1.00 28.66           O  
-ATOM    544  OE2 GLU A  70      48.069   7.786  -2.514  1.00 26.28           O  
-ATOM    545  N   VAL A  71      42.643  10.258   1.192  1.00 11.68           N  
-ATOM    546  CA  VAL A  71      41.271  10.013   1.648  1.00 11.53           C  
-ATOM    547  C   VAL A  71      40.331   9.958   0.443  1.00 13.85           C  
-ATOM    548  O   VAL A  71      40.492  10.734  -0.510  1.00 12.04           O  
-ATOM    549  CB  VAL A  71      40.812  11.124   2.625  1.00 13.64           C  
-ATOM    550  CG1 VAL A  71      39.336  10.959   3.005  1.00 10.80           C  
-ATOM    551  CG2 VAL A  71      41.688  11.108   3.872  1.00  9.00           C  
-ATOM    552  N   LYS A  72      39.386   9.019   0.462  1.00 14.44           N  
-ATOM    553  CA  LYS A  72      38.424   8.886  -0.634  1.00 17.71           C  
-ATOM    554  C   LYS A  72      36.970   8.601  -0.235  1.00 16.03           C  
-ATOM    555  O   LYS A  72      36.079   8.675  -1.075  1.00 16.95           O  
-ATOM    556  CB  LYS A  72      38.920   7.883  -1.687  1.00 21.38           C  
-ATOM    557  CG  LYS A  72      39.325   6.529  -1.144  1.00 24.73           C  
-ATOM    558  CD  LYS A  72      40.066   5.713  -2.203  1.00 29.60           C  
-ATOM    559  CE  LYS A  72      41.475   6.270  -2.496  1.00 33.01           C  
-ATOM    560  NZ  LYS A  72      42.478   5.968  -1.412  1.00 34.72           N  
-ATOM    561  N   CYS A  73      36.730   8.330   1.047  1.00 16.52           N  
-ATOM    562  CA  CYS A  73      35.385   8.052   1.575  1.00 16.81           C  
-ATOM    563  C   CYS A  73      35.199   8.813   2.892  1.00 15.01           C  
-ATOM    564  O   CYS A  73      36.173   9.126   3.571  1.00 17.46           O  
-ATOM    565  CB  CYS A  73      35.203   6.552   1.865  1.00 17.58           C  
-ATOM    566  SG  CYS A  73      35.101   5.459   0.422  1.00 19.65           S  
-ATOM    567  N   MET A  74      33.962   9.106   3.262  1.00 12.63           N  
-ATOM    568  CA  MET A  74      33.713   9.814   4.507  1.00 15.23           C  
-ATOM    569  C   MET A  74      32.700   9.073   5.360  1.00 13.59           C  
-ATOM    570  O   MET A  74      31.717   8.548   4.844  1.00 11.86           O  
-ATOM    571  CB  MET A  74      33.208  11.241   4.257  1.00 18.68           C  
-ATOM    572  CG  MET A  74      34.293  12.312   4.151  1.00 19.48           C  
-ATOM    573  SD  MET A  74      34.863  12.476   2.489  1.00 26.59           S  
-ATOM    574  CE  MET A  74      33.367  13.035   1.693  1.00 27.20           C  
-ATOM    575  N   PRO A  75      33.004   8.897   6.652  1.00 11.99           N  
-ATOM    576  CA  PRO A  75      34.251   9.356   7.282  1.00 11.61           C  
-ATOM    577  C   PRO A  75      35.384   8.311   7.143  1.00 10.67           C  
-ATOM    578  O   PRO A  75      35.125   7.130   6.872  1.00  9.38           O  
-ATOM    579  CB  PRO A  75      33.848   9.521   8.752  1.00 11.82           C  
-ATOM    580  CG  PRO A  75      32.849   8.414   8.950  1.00 12.38           C  
-ATOM    581  CD  PRO A  75      32.033   8.424   7.656  1.00 12.27           C  
-ATOM    582  N   THR A  76      36.632   8.753   7.243  1.00  8.73           N  
-ATOM    583  CA  THR A  76      37.756   7.816   7.214  1.00  6.01           C  
-ATOM    584  C   THR A  76      38.519   8.014   8.529  1.00  7.26           C  
-ATOM    585  O   THR A  76      38.787   9.152   8.925  1.00  5.05           O  
-ATOM    586  CB  THR A  76      38.729   8.063   6.027  1.00  9.04           C  
-ATOM    587  OG1 THR A  76      38.129   7.616   4.804  1.00  5.42           O  
-ATOM    588  CG2 THR A  76      40.044   7.279   6.230  1.00 10.02           C  
-ATOM    589  N   PHE A  77      38.804   6.922   9.236  1.00  4.61           N  
-ATOM    590  CA  PHE A  77      39.568   7.008  10.483  1.00  7.53           C  
-ATOM    591  C   PHE A  77      40.952   6.451  10.204  1.00  5.81           C  
-ATOM    592  O   PHE A  77      41.073   5.357   9.657  1.00  6.43           O  
-ATOM    593  CB  PHE A  77      38.890   6.213  11.614  1.00  6.96           C  
-ATOM    594  CG  PHE A  77      37.463   6.627  11.872  1.00  8.31           C  
-ATOM    595  CD1 PHE A  77      37.178   7.728  12.670  1.00  7.50           C  
-ATOM    596  CD2 PHE A  77      36.408   5.947  11.269  1.00  7.27           C  
-ATOM    597  CE1 PHE A  77      35.876   8.152  12.854  1.00 11.45           C  
-ATOM    598  CE2 PHE A  77      35.098   6.362  11.446  1.00  8.00           C  
-ATOM    599  CZ  PHE A  77      34.828   7.465  12.236  1.00 11.35           C  
-ATOM    600  N   GLN A  78      41.985   7.247  10.460  1.00  5.53           N  
-ATOM    601  CA  GLN A  78      43.363   6.803  10.266  1.00  6.91           C  
-ATOM    602  C   GLN A  78      44.035   6.799  11.628  1.00  9.44           C  
-ATOM    603  O   GLN A  78      43.779   7.676  12.464  1.00  8.21           O  
-ATOM    604  CB  GLN A  78      44.112   7.687   9.259  1.00  5.99           C  
-ATOM    605  CG  GLN A  78      43.667   7.465   7.797  1.00  5.94           C  
-ATOM    606  CD  GLN A  78      44.452   8.293   6.785  1.00  3.68           C  
-ATOM    607  OE1 GLN A  78      45.283   9.107   7.151  1.00  8.86           O  
-ATOM    608  NE2 GLN A  78      44.180   8.091   5.511  1.00  5.37           N  
-ATOM    609  N   PHE A  79      44.828   5.765  11.878  1.00  9.27           N  
-ATOM    610  CA  PHE A  79      45.509   5.592  13.171  1.00 10.67           C  
-ATOM    611  C   PHE A  79      47.015   5.756  13.006  1.00  9.53           C  
-ATOM    612  O   PHE A  79      47.580   5.227  12.053  1.00  8.45           O  
-ATOM    613  CB  PHE A  79      45.174   4.200  13.743  1.00  8.10           C  
-ATOM    614  CG  PHE A  79      43.698   3.954  13.915  1.00  8.85           C  
-ATOM    615  CD1 PHE A  79      42.886   3.689  12.811  1.00 10.38           C  
-ATOM    616  CD2 PHE A  79      43.108   4.030  15.171  1.00 11.30           C  
-ATOM    617  CE1 PHE A  79      41.489   3.512  12.960  1.00 10.29           C  
-ATOM    618  CE2 PHE A  79      41.721   3.853  15.333  1.00 11.36           C  
-ATOM    619  CZ  PHE A  79      40.914   3.594  14.215  1.00  6.70           C  
-ATOM    620  N   PHE A  80      47.651   6.501  13.914  1.00  9.83           N  
-ATOM    621  CA  PHE A  80      49.099   6.763  13.861  1.00 12.55           C  
-ATOM    622  C   PHE A  80      49.763   6.575  15.237  1.00 14.80           C  
-ATOM    623  O   PHE A  80      49.204   6.942  16.278  1.00 13.59           O  
-ATOM    624  CB  PHE A  80      49.384   8.225  13.434  1.00 10.35           C  
-ATOM    625  CG  PHE A  80      48.812   8.615  12.070  1.00 10.82           C  
-ATOM    626  CD1 PHE A  80      47.500   9.094  11.971  1.00 12.28           C  
-ATOM    627  CD2 PHE A  80      49.606   8.507  10.921  1.00 10.54           C  
-ATOM    628  CE1 PHE A  80      46.981   9.462  10.723  1.00 11.90           C  
-ATOM    629  CE2 PHE A  80      49.087   8.875   9.674  1.00 11.64           C  
-ATOM    630  CZ  PHE A  80      47.774   9.353   9.575  1.00 13.84           C  
-ATOM    631  N   LYS A  81      50.948   5.998  15.179  1.00 17.39           N  
-ATOM    632  CA  LYS A  81      51.824   5.787  16.344  1.00 21.45           C  
-ATOM    633  C   LYS A  81      53.230   6.198  15.922  1.00 22.26           C  
-ATOM    634  O   LYS A  81      53.760   5.695  14.929  1.00 22.99           O  
-ATOM    635  CB  LYS A  81      51.860   4.305  16.753  1.00 25.00           C  
-ATOM    636  CG  LYS A  81      50.526   3.755  17.262  1.00 30.12           C  
-ATOM    637  CD  LYS A  81      50.696   2.721  18.383  1.00 31.63           C  
-ATOM    638  CE  LYS A  81      51.188   3.349  19.688  1.00 32.06           C  
-ATOM    639  NZ  LYS A  81      51.231   2.399  20.808  1.00 35.02           N  
-ATOM    640  N   LYS A  82      53.810   7.113  16.655  1.00 24.15           N  
-ATOM    641  CA  LYS A  82      55.168   7.607  16.361  1.00 26.51           C  
-ATOM    642  C   LYS A  82      55.310   8.037  14.888  1.00 26.79           C  
-ATOM    643  O   LYS A  82      56.155   7.522  14.149  1.00 28.23           O  
-ATOM    644  CB  LYS A  82      56.211   6.535  16.683  1.00 27.17           C  
-ATOM    645  CG  LYS A  82      56.870   6.744  18.053  1.00 28.46           C  
-ATOM    646  CD  LYS A  82      56.245   5.882  19.151  1.00 33.32           C  
-ATOM    647  CE  LYS A  82      56.521   4.389  18.962  1.00 33.90           C  
-ATOM    648  NZ  LYS A  82      55.880   3.552  19.987  1.00 33.40           N  
-ATOM    649  N   GLY A  83      54.440   8.946  14.457  1.00 26.85           N  
-ATOM    650  CA  GLY A  83      54.476   9.443  13.091  1.00 25.19           C  
-ATOM    651  C   GLY A  83      54.093   8.480  11.975  1.00 26.71           C  
-ATOM    652  O   GLY A  83      53.993   8.910  10.818  1.00 26.51           O  
-ATOM    653  N   GLN A  84      53.841   7.208  12.293  1.00 25.02           N  
-ATOM    654  CA  GLN A  84      53.483   6.225  11.266  1.00 24.91           C  
-ATOM    655  C   GLN A  84      52.037   5.731  11.304  1.00 21.89           C  
-ATOM    656  O   GLN A  84      51.487   5.480  12.378  1.00 20.97           O  
-ATOM    657  CB  GLN A  84      54.416   5.015  11.339  1.00 30.22           C  
-ATOM    658  CG  GLN A  84      54.067   3.945  10.309  1.00 39.85           C  
-ATOM    659  CD  GLN A  84      54.740   2.599  10.545  1.00 45.60           C  
-ATOM    660  OE1 GLN A  84      54.546   1.658   9.760  1.00 49.44           O  
-ATOM    661  NE2 GLN A  84      55.532   2.492  11.608  1.00 47.34           N  
-ATOM    662  N   LYS A  85      51.447   5.550  10.123  1.00 19.19           N  
-ATOM    663  CA  LYS A  85      50.078   5.061  10.002  1.00 17.22           C  
-ATOM    664  C   LYS A  85      50.069   3.560  10.273  1.00 16.58           C  
-ATOM    665  O   LYS A  85      50.718   2.785   9.569  1.00 17.69           O  
-ATOM    666  CB  LYS A  85      49.512   5.352   8.600  1.00 17.72           C  
-ATOM    667  CG  LYS A  85      48.015   5.018   8.452  1.00 18.54           C  
-ATOM    668  CD  LYS A  85      47.429   5.465   7.118  1.00 18.49           C  
-ATOM    669  CE  LYS A  85      48.102   4.769   5.947  1.00 22.37           C  
-ATOM    670  NZ  LYS A  85      47.675   5.286   4.618  1.00 27.52           N  
-ATOM    671  N   VAL A  86      49.358   3.157  11.316  1.00 17.55           N  
-ATOM    672  CA  VAL A  86      49.280   1.750  11.696  1.00 16.16           C  
-ATOM    673  C   VAL A  86      47.898   1.117  11.531  1.00 15.49           C  
-ATOM    674  O   VAL A  86      47.675  -0.022  11.953  1.00 15.29           O  
-ATOM    675  CB  VAL A  86      49.774   1.546  13.139  1.00 12.58           C  
-ATOM    676  CG1 VAL A  86      51.236   1.911  13.233  1.00 15.85           C  
-ATOM    677  CG2 VAL A  86      48.974   2.400  14.098  1.00 14.38           C  
-ATOM    678  N   GLY A  87      46.975   1.852  10.915  1.00 14.21           N  
-ATOM    679  CA  GLY A  87      45.632   1.342  10.691  1.00 12.74           C  
-ATOM    680  C   GLY A  87      44.748   2.307   9.916  1.00 11.62           C  
-ATOM    681  O   GLY A  87      45.015   3.521   9.889  1.00 10.09           O  
-ATOM    682  N   GLU A  88      43.663   1.786   9.358  1.00  9.75           N  
-ATOM    683  CA  GLU A  88      42.757   2.600   8.574  1.00 11.50           C  
-ATOM    684  C   GLU A  88      41.496   1.873   8.092  1.00 12.42           C  
-ATOM    685  O   GLU A  88      41.547   0.699   7.729  1.00 11.59           O  
-ATOM    686  CB  GLU A  88      43.538   3.135   7.370  1.00 12.66           C  
-ATOM    687  CG  GLU A  88      42.709   3.541   6.204  1.00 17.28           C  
-ATOM    688  CD  GLU A  88      43.474   4.396   5.230  1.00 21.40           C  
-ATOM    689  OE1 GLU A  88      44.683   4.135   5.018  1.00 23.02           O  
-ATOM    690  OE2 GLU A  88      42.866   5.340   4.685  1.00 23.31           O  
-ATOM    691  N   PHE A  89      40.366   2.574   8.111  1.00  9.62           N  
-ATOM    692  CA  PHE A  89      39.108   2.038   7.598  1.00 10.54           C  
-ATOM    693  C   PHE A  89      38.139   3.207   7.420  1.00 10.69           C  
-ATOM    694  O   PHE A  89      38.398   4.300   7.923  1.00 13.01           O  
-ATOM    695  CB  PHE A  89      38.528   0.914   8.496  1.00  9.37           C  
-ATOM    696  CG  PHE A  89      37.884   1.391   9.777  1.00 11.28           C  
-ATOM    697  CD1 PHE A  89      36.555   1.830   9.788  1.00 11.99           C  
-ATOM    698  CD2 PHE A  89      38.597   1.375  10.976  1.00 11.11           C  
-ATOM    699  CE1 PHE A  89      35.944   2.245  10.963  1.00 10.73           C  
-ATOM    700  CE2 PHE A  89      38.001   1.786  12.170  1.00 11.53           C  
-ATOM    701  CZ  PHE A  89      36.664   2.225  12.163  1.00 11.33           C  
-ATOM    702  N   SER A  90      37.082   3.013   6.637  1.00 10.00           N  
-ATOM    703  CA  SER A  90      36.087   4.066   6.436  1.00 10.88           C  
-ATOM    704  C   SER A  90      34.683   3.554   6.777  1.00 11.26           C  
-ATOM    705  O   SER A  90      34.461   2.334   6.849  1.00 10.25           O  
-ATOM    706  CB  SER A  90      36.137   4.608   5.004  1.00 12.18           C  
-ATOM    707  OG  SER A  90      36.088   3.569   4.049  1.00 17.83           O  
-ATOM    708  N   GLY A  91      33.756   4.485   7.003  1.00 10.26           N  
-ATOM    709  CA  GLY A  91      32.392   4.133   7.351  1.00  9.31           C  
-ATOM    710  C   GLY A  91      32.141   4.420   8.817  1.00 12.06           C  
-ATOM    711  O   GLY A  91      33.073   4.366   9.633  1.00 12.18           O  
-ATOM    712  N   ALA A  92      30.886   4.697   9.170  1.00 12.01           N  
-ATOM    713  CA  ALA A  92      30.543   5.019  10.550  1.00 14.75           C  
-ATOM    714  C   ALA A  92      30.183   3.795  11.395  1.00 15.70           C  
-ATOM    715  O   ALA A  92      29.043   3.647  11.845  1.00 21.06           O  
-ATOM    716  CB  ALA A  92      29.406   6.060  10.586  1.00 13.48           C  
-ATOM    717  N   ASN A  93      31.162   2.934  11.655  1.00 13.40           N  
-ATOM    718  CA  ASN A  93      30.913   1.732  12.449  1.00 11.43           C  
-ATOM    719  C   ASN A  93      31.457   1.940  13.860  1.00 10.06           C  
-ATOM    720  O   ASN A  93      32.664   1.892  14.067  1.00 11.60           O  
-ATOM    721  CB  ASN A  93      31.595   0.540  11.794  1.00 11.55           C  
-ATOM    722  CG  ASN A  93      31.207  -0.785  12.424  1.00 11.23           C  
-ATOM    723  OD1 ASN A  93      30.985  -0.893  13.626  1.00 14.30           O  
-ATOM    724  ND2 ASN A  93      31.147  -1.809  11.603  1.00 15.40           N  
-ATOM    725  N   LYS A  94      30.566   2.176  14.816  1.00  8.39           N  
-ATOM    726  CA  LYS A  94      30.951   2.419  16.203  1.00 10.87           C  
-ATOM    727  C   LYS A  94      31.742   1.299  16.902  1.00 11.47           C  
-ATOM    728  O   LYS A  94      32.708   1.569  17.614  1.00 12.43           O  
-ATOM    729  CB  LYS A  94      29.718   2.746  17.036  1.00 11.96           C  
-ATOM    730  CG  LYS A  94      28.951   3.990  16.596  1.00 17.20           C  
-ATOM    731  CD  LYS A  94      27.729   4.183  17.494  1.00 17.71           C  
-ATOM    732  CE  LYS A  94      26.943   5.425  17.118  1.00 19.80           C  
-ATOM    733  NZ  LYS A  94      25.832   5.653  18.090  1.00 18.83           N  
-ATOM    734  N   GLU A  95      31.310   0.055  16.735  1.00 13.91           N  
-ATOM    735  CA  GLU A  95      31.980  -1.076  17.363  1.00 14.77           C  
-ATOM    736  C   GLU A  95      33.401  -1.242  16.847  1.00 10.85           C  
-ATOM    737  O   GLU A  95      34.342  -1.449  17.607  1.00 10.94           O  
-ATOM    738  CB  GLU A  95      31.215  -2.378  17.095  1.00 19.37           C  
-ATOM    739  CG  GLU A  95      29.983  -2.637  17.962  1.00 28.33           C  
-ATOM    740  CD  GLU A  95      29.555  -4.123  17.943  1.00 34.01           C  
-ATOM    741  OE1 GLU A  95      29.724  -4.810  16.897  1.00 34.61           O  
-ATOM    742  OE2 GLU A  95      29.065  -4.609  18.990  1.00 37.33           O  
-ATOM    743  N   LYS A  96      33.542  -1.179  15.536  1.00  7.42           N  
-ATOM    744  CA  LYS A  96      34.837  -1.349  14.906  1.00  9.01           C  
-ATOM    745  C   LYS A  96      35.811  -0.239  15.317  1.00  9.37           C  
-ATOM    746  O   LYS A  96      36.992  -0.505  15.572  1.00  9.94           O  
-ATOM    747  CB  LYS A  96      34.671  -1.421  13.385  1.00  8.66           C  
-ATOM    748  CG  LYS A  96      35.961  -1.636  12.638  1.00 10.26           C  
-ATOM    749  CD  LYS A  96      35.775  -1.512  11.135  1.00 13.12           C  
-ATOM    750  CE  LYS A  96      34.967  -2.655  10.565  1.00 16.80           C  
-ATOM    751  NZ  LYS A  96      34.799  -2.460   9.092  1.00 18.61           N  
-ATOM    752  N   LEU A  97      35.303   0.988  15.439  1.00  8.81           N  
-ATOM    753  CA  LEU A  97      36.131   2.120  15.836  1.00  9.61           C  
-ATOM    754  C   LEU A  97      36.750   1.853  17.215  1.00 11.70           C  
-ATOM    755  O   LEU A  97      37.979   1.825  17.351  1.00 12.14           O  
-ATOM    756  CB  LEU A  97      35.310   3.418  15.854  1.00  9.08           C  
-ATOM    757  CG  LEU A  97      36.013   4.703  16.327  1.00  9.96           C  
-ATOM    758  CD1 LEU A  97      37.319   4.919  15.557  1.00  9.00           C  
-ATOM    759  CD2 LEU A  97      35.073   5.915  16.171  1.00  6.12           C  
-ATOM    760  N   GLU A  98      35.906   1.583  18.210  1.00 10.31           N  
-ATOM    761  CA  GLU A  98      36.384   1.318  19.563  1.00  9.21           C  
-ATOM    762  C   GLU A  98      37.230   0.038  19.680  1.00 10.99           C  
-ATOM    763  O   GLU A  98      38.202  -0.010  20.435  1.00 11.27           O  
-ATOM    764  CB  GLU A  98      35.221   1.273  20.557  1.00  8.84           C  
-ATOM    765  CG  GLU A  98      35.703   1.125  22.008  1.00 12.39           C  
-ATOM    766  CD  GLU A  98      34.662   1.520  23.042  1.00 13.16           C  
-ATOM    767  OE1 GLU A  98      33.474   1.650  22.696  1.00 15.05           O  
-ATOM    768  OE2 GLU A  98      35.039   1.716  24.212  1.00 14.71           O  
-ATOM    769  N   ALA A  99      36.856  -0.991  18.931  1.00 11.01           N  
-ATOM    770  CA  ALA A  99      37.584  -2.259  18.943  1.00 12.80           C  
-ATOM    771  C   ALA A  99      39.003  -2.067  18.390  1.00 14.55           C  
-ATOM    772  O   ALA A  99      39.961  -2.649  18.915  1.00 13.20           O  
-ATOM    773  CB  ALA A  99      36.831  -3.315  18.123  1.00 11.18           C  
-ATOM    774  N   THR A 100      39.134  -1.231  17.358  1.00 11.11           N  
-ATOM    775  CA  THR A 100      40.437  -0.957  16.749  1.00 12.43           C  
-ATOM    776  C   THR A 100      41.341  -0.203  17.744  1.00 13.26           C  
-ATOM    777  O   THR A 100      42.528  -0.531  17.913  1.00 13.65           O  
-ATOM    778  CB  THR A 100      40.267  -0.169  15.418  1.00 12.10           C  
-ATOM    779  OG1 THR A 100      39.407  -0.910  14.544  1.00 10.64           O  
-ATOM    780  CG2 THR A 100      41.617   0.011  14.712  1.00 10.97           C  
-ATOM    781  N   ILE A 101      40.758   0.768  18.440  1.00 12.45           N  
-ATOM    782  CA  ILE A 101      41.483   1.544  19.430  1.00 11.98           C  
-ATOM    783  C   ILE A 101      42.029   0.625  20.535  1.00 12.81           C  
-ATOM    784  O   ILE A 101      43.154   0.798  20.981  1.00 11.83           O  
-ATOM    785  CB  ILE A 101      40.573   2.642  20.042  1.00 12.52           C  
-ATOM    786  CG1 ILE A 101      40.290   3.724  18.992  1.00 12.41           C  
-ATOM    787  CG2 ILE A 101      41.197   3.226  21.326  1.00 12.85           C  
-ATOM    788  CD1 ILE A 101      39.306   4.826  19.448  1.00 12.67           C  
-ATOM    789  N   ASN A 102      41.266  -0.385  20.943  1.00 13.27           N  
-ATOM    790  CA  ASN A 102      41.739  -1.283  22.002  1.00 15.09           C  
-ATOM    791  C   ASN A 102      42.890  -2.183  21.524  1.00 14.85           C  
-ATOM    792  O   ASN A 102      43.727  -2.601  22.313  1.00 12.07           O  
-ATOM    793  CB  ASN A 102      40.579  -2.122  22.571  1.00 16.45           C  
-ATOM    794  CG  ASN A 102      39.713  -1.335  23.553  1.00 18.88           C  
-ATOM    795  OD1 ASN A 102      39.999  -1.275  24.756  1.00 20.00           O  
-ATOM    796  ND2 ASN A 102      38.666  -0.705  23.038  1.00 19.62           N  
-ATOM    797  N   GLU A 103      42.947  -2.424  20.218  1.00 14.44           N  
-ATOM    798  CA  GLU A 103      43.976  -3.263  19.615  1.00 16.29           C  
-ATOM    799  C   GLU A 103      45.314  -2.526  19.445  1.00 17.27           C  
-ATOM    800  O   GLU A 103      46.391  -3.122  19.595  1.00 16.26           O  
-ATOM    801  CB  GLU A 103      43.520  -3.760  18.239  1.00 13.03           C  
-ATOM    802  CG  GLU A 103      44.099  -5.127  17.861  1.00 16.75           C  
-ATOM    803  CD  GLU A 103      45.552  -5.061  17.383  1.00 21.64           C  
-ATOM    804  OE1 GLU A 103      45.887  -4.256  16.433  1.00 21.54           O  
-ATOM    805  OE2 GLU A 103      46.442  -5.816  17.933  1.00 21.24           O  
-ATOM    806  N   LEU A 104      45.237  -1.240  19.151  1.00 16.53           N  
-ATOM    807  CA  LEU A 104      46.442  -0.439  18.849  1.00 17.61           C  
-ATOM    808  C   LEU A 104      46.983   0.392  20.037  1.00 18.82           C  
-ATOM    809  O   LEU A 104      48.141   0.828  20.036  1.00 20.60           O  
-ATOM    810  CB  LEU A 104      46.153   0.556  17.725  1.00 15.45           C  
-ATOM    811  CG  LEU A 104      45.954  -0.109  16.359  1.00 15.77           C  
-ATOM    812  CD1 LEU A 104      45.378   0.852  15.314  1.00 13.84           C  
-ATOM    813  CD2 LEU A 104      47.254  -0.651  15.760  1.00 12.91           C  
-ATOM    814  N   VAL A 105      46.177   0.631  21.057  1.00 18.73           N  
-ATOM    815  CA  VAL A 105      46.630   1.472  22.195  1.00 21.47           C  
-ATOM    816  C   VAL A 105      47.811   0.845  22.909  1.00 22.76           C  
-ATOM    817  O   VAL A 105      47.841  -0.393  23.052  1.00 23.03           O  
-ATOM    818  CB  VAL A 105      45.500   1.719  23.188  1.00 23.19           C  
-ATOM    819  CG1 VAL A 105      45.013   0.446  23.869  1.00 24.79           C  
-ATOM    820  CG2 VAL A 105      45.908   2.681  24.309  1.00 24.56           C  
-ATOM    821  OXT VAL A 105      48.719   1.608  23.283  1.00 27.01           O  

Deleted: SwiftApps/modFTDock/input/1bmp-1.pdb
===================================================================
--- SwiftApps/modFTDock/input/1bmp-1.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/1bmp-1.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,828 +0,0 @@
-ATOM      1  N   GLN A  36      34.240  52.979  13.722  1.00 39.49           N  
-ATOM      2  CA  GLN A  36      33.616  53.368  12.431  1.00 36.72           C  
-ATOM      3  C   GLN A  36      33.162  52.070  11.745  1.00 30.49           C  
-ATOM      4  O   GLN A  36      32.872  52.074  10.543  1.00 30.60           O  
-ATOM      5  CB  GLN A  36      34.661  54.074  11.560  1.00 45.47           C  
-ATOM      6  CG  GLN A  36      34.419  55.545  11.283  1.00 54.81           C  
-ATOM      7  CD  GLN A  36      35.440  56.119  10.322  1.00 64.37           C  
-ATOM      8  OE1 GLN A  36      35.138  56.766   9.322  1.00 63.97           O  
-ATOM      9  NE2 GLN A  36      36.711  55.821  10.604  1.00 69.09           N  
-ATOM     10  N   ALA A  37      33.319  50.976  12.470  1.00 25.56           N  
-ATOM     11  CA  ALA A  37      33.211  49.630  11.876  1.00 24.66           C  
-ATOM     12  C   ALA A  37      31.815  49.465  11.278  1.00 24.33           C  
-ATOM     13  O   ALA A  37      30.906  50.203  11.675  1.00 29.15           O  
-ATOM     14  CB  ALA A  37      33.551  48.539  12.865  1.00 19.46           C  
-ATOM     15  N   CYS A  38      31.678  48.551  10.355  1.00 21.41           N  
-ATOM     16  CA  CYS A  38      30.402  48.274   9.698  1.00 22.06           C  
-ATOM     17  C   CYS A  38      29.415  47.695  10.715  1.00 23.08           C  
-ATOM     18  O   CYS A  38      29.714  46.673  11.330  1.00 22.51           O  
-ATOM     19  CB  CYS A  38      30.557  47.303   8.535  1.00 20.83           C  
-ATOM     20  SG  CYS A  38      28.988  46.617   7.976  1.00 21.73           S  
-ATOM     21  N   LYS A  39      28.288  48.372  10.827  1.00 25.32           N  
-ATOM     22  CA  LYS A  39      27.174  48.008  11.686  1.00 24.55           C  
-ATOM     23  C   LYS A  39      25.860  48.607  11.177  1.00 23.98           C  
-ATOM     24  O   LYS A  39      25.828  49.426  10.234  1.00 23.36           O  
-ATOM     25  CB  LYS A  39      27.383  48.371  13.138  1.00 26.00           C  
-ATOM     26  CG  LYS A  39      28.070  49.702  13.405  1.00 36.63           C  
-ATOM     27  CD  LYS A  39      27.782  50.194  14.818  1.00 40.72           C  
-ATOM     28  CE  LYS A  39      27.686  51.704  14.890  1.00 48.52           C  
-ATOM     29  NZ  LYS A  39      28.976  52.341  14.493  1.00 52.36           N  
-ATOM     30  N   LYS A  40      24.804  48.044  11.738  1.00 21.60           N  
-ATOM     31  CA  LYS A  40      23.425  48.472  11.468  1.00 22.09           C  
-ATOM     32  C   LYS A  40      23.138  49.680  12.371  1.00 25.22           C  
-ATOM     33  O   LYS A  40      23.379  49.554  13.585  1.00 29.47           O  
-ATOM     34  CB  LYS A  40      22.444  47.374  11.885  1.00 22.07           C  
-ATOM     35  CG  LYS A  40      20.971  47.788  11.821  1.00 22.51           C  
-ATOM     36  CD  LYS A  40      20.087  46.557  12.012  1.00 28.59           C  
-ATOM     37  CE  LYS A  40      19.963  46.225  13.488  1.00 34.57           C  
-ATOM     38  NZ  LYS A  40      19.028  45.096  13.713  1.00 40.94           N  
-ATOM     39  N   HIS A  41      22.437  50.639  11.817  1.00 24.32           N  
-ATOM     40  CA  HIS A  41      22.066  51.875  12.525  1.00 24.27           C  
-ATOM     41  C   HIS A  41      20.552  52.087  12.434  1.00 26.35           C  
-ATOM     42  O   HIS A  41      19.900  51.609  11.491  1.00 29.02           O  
-ATOM     43  CB  HIS A  41      22.724  53.120  11.871  1.00 26.11           C  
-ATOM     44  CG  HIS A  41      24.211  52.972  11.780  1.00 27.58           C  
-ATOM     45  ND1 HIS A  41      25.099  53.690  12.529  1.00 29.09           N  
-ATOM     46  CD2 HIS A  41      24.945  52.072  11.077  1.00 27.70           C  
-ATOM     47  CE1 HIS A  41      26.327  53.331  12.203  1.00 32.63           C  
-ATOM     48  NE2 HIS A  41      26.255  52.310  11.378  1.00 35.56           N  
-ATOM     49  N   GLU A  42      20.062  52.944  13.310  1.00 25.74           N  
-ATOM     50  CA  GLU A  42      18.626  53.229  13.424  1.00 22.69           C  
-ATOM     51  C   GLU A  42      18.205  54.285  12.410  1.00 20.14           C  
-ATOM     52  O   GLU A  42      19.074  54.974  11.860  1.00 23.27           O  
-ATOM     53  CB  GLU A  42      18.230  53.690  14.814  1.00 22.36           C  
-ATOM     54  CG  GLU A  42      18.718  52.822  15.972  1.00 40.60           C  
-ATOM     55  CD  GLU A  42      17.801  52.713  17.149  1.00 52.30           C  
-ATOM     56  OE1 GLU A  42      16.615  52.988  17.125  1.00 54.81           O  
-ATOM     57  OE2 GLU A  42      18.369  52.206  18.143  1.00 61.59           O  
-ATOM     58  N   LEU A  43      17.032  54.046  11.853  1.00 16.22           N  
-ATOM     59  CA  LEU A  43      16.386  54.912  10.880  1.00 16.55           C  
-ATOM     60  C   LEU A  43      14.874  54.620  10.902  1.00 19.90           C  
-ATOM     61  O   LEU A  43      14.465  53.453  10.739  1.00 22.05           O  
-ATOM     62  CB  LEU A  43      16.972  54.711   9.471  1.00 11.74           C  
-ATOM     63  CG  LEU A  43      16.327  55.657   8.458  1.00  7.06           C  
-ATOM     64  CD1 LEU A  43      16.752  57.080   8.788  1.00  4.33           C  
-ATOM     65  CD2 LEU A  43      16.619  55.274   7.023  1.00  2.00           C  
-ATOM     66  N   TYR A  44      14.126  55.699  11.066  1.00 18.36           N  
-ATOM     67  CA  TYR A  44      12.670  55.639  11.194  1.00 15.27           C  
-ATOM     68  C   TYR A  44      11.951  56.402  10.110  1.00 15.95           C  
-ATOM     69  O   TYR A  44      12.390  57.483   9.665  1.00 22.46           O  
-ATOM     70  CB  TYR A  44      12.220  55.973  12.604  1.00 10.83           C  
-ATOM     71  CG  TYR A  44      10.724  55.881  12.786  1.00 21.80           C  
-ATOM     72  CD1 TYR A  44       9.884  56.658  11.978  1.00 28.25           C  
-ATOM     73  CD2 TYR A  44      10.139  54.942  13.628  1.00 23.64           C  
-ATOM     74  CE1 TYR A  44       8.501  56.630  12.141  1.00 34.01           C  
-ATOM     75  CE2 TYR A  44       8.753  54.818  13.698  1.00 32.32           C  
-ATOM     76  CZ  TYR A  44       7.934  55.677  12.985  1.00 36.94           C  
-ATOM     77  OH  TYR A  44       6.573  55.575  13.120  1.00 41.22           O  
-ATOM     78  N   VAL A  45      11.113  55.691   9.375  1.00 12.80           N  
-ATOM     79  CA  VAL A  45      10.392  56.308   8.253  1.00 10.72           C  
-ATOM     80  C   VAL A  45       8.974  56.670   8.661  1.00 13.08           C  
-ATOM     81  O   VAL A  45       8.326  55.945   9.438  1.00 15.49           O  
-ATOM     82  CB  VAL A  45      10.538  55.467   6.991  1.00  7.69           C  
-ATOM     83  CG1 VAL A  45      10.026  56.200   5.750  1.00  2.40           C  
-ATOM     84  CG2 VAL A  45      12.016  55.088   6.809  1.00 11.30           C  
-ATOM     85  N   SER A  46       8.710  57.967   8.558  1.00 12.98           N  
-ATOM     86  CA  SER A  46       7.361  58.468   8.833  1.00 12.12           C  
-ATOM     87  C   SER A  46       6.644  58.533   7.488  1.00 10.28           C  
-ATOM     88  O   SER A  46       7.151  59.249   6.606  1.00 12.17           O  
-ATOM     89  CB  SER A  46       7.374  59.847   9.467  1.00 16.97           C  
-ATOM     90  OG  SER A  46       6.158  60.002  10.202  1.00 28.25           O  
-ATOM     91  N   PHE A  47       5.656  57.684   7.315  1.00  8.65           N  
-ATOM     92  CA  PHE A  47       4.903  57.683   6.043  1.00  9.76           C  
-ATOM     93  C   PHE A  47       4.617  59.115   5.620  1.00 14.32           C  
-ATOM     94  O   PHE A  47       4.793  59.477   4.443  1.00 16.46           O  
-ATOM     95  CB  PHE A  47       3.722  56.736   6.074  1.00 11.69           C  
-ATOM     96  CG  PHE A  47       4.111  55.285   6.115  1.00 14.12           C  
-ATOM     97  CD1 PHE A  47       5.087  54.817   5.222  1.00 15.22           C  
-ATOM     98  CD2 PHE A  47       3.468  54.389   6.946  1.00  9.82           C  
-ATOM     99  CE1 PHE A  47       5.545  53.512   5.281  1.00 12.19           C  
-ATOM    100  CE2 PHE A  47       3.817  53.031   6.915  1.00 17.68           C  
-ATOM    101  CZ  PHE A  47       4.892  52.609   6.122  1.00 13.29           C  
-ATOM    102  N   ARG A  48       4.423  59.975   6.609  1.00 16.03           N  
-ATOM    103  CA  ARG A  48       4.225  61.410   6.383  1.00 14.00           C  
-ATOM    104  C   ARG A  48       5.323  62.008   5.524  1.00 14.38           C  
-ATOM    105  O   ARG A  48       5.049  62.795   4.614  1.00 16.35           O  
-ATOM    106  CB  ARG A  48       4.076  62.195   7.678  1.00 16.07           C  
-ATOM    107  CG  ARG A  48       2.633  62.349   8.134  1.00 28.90           C  
-ATOM    108  CD  ARG A  48       2.530  63.163   9.384  1.00 39.56           C  
-ATOM    109  NE  ARG A  48       1.147  63.157   9.860  1.00 51.32           N  
-ATOM    110  CZ  ARG A  48       0.757  63.717  11.006  1.00 53.83           C  
-ATOM    111  NH1 ARG A  48       1.542  64.567  11.652  1.00 51.41           N  
-ATOM    112  NH2 ARG A  48      -0.463  63.445  11.467  1.00 56.96           N  
-ATOM    113  N   ASP A  49       6.554  61.703   5.859  1.00 18.59           N  
-ATOM    114  CA  ASP A  49       7.733  62.196   5.154  1.00 22.79           C  
-ATOM    115  C   ASP A  49       7.650  61.790   3.675  1.00 25.79           C  
-ATOM    116  O   ASP A  49       8.475  62.375   2.942  1.00 30.12           O  
-ATOM    117  CB  ASP A  49       9.062  61.734   5.746  1.00 23.42           C  
-ATOM    118  CG  ASP A  49       9.220  62.073   7.213  1.00 31.38           C  
-ATOM    119  OD1 ASP A  49       8.488  62.938   7.722  1.00 30.93           O  
-ATOM    120  OD2 ASP A  49       9.988  61.312   7.842  1.00 34.28           O  
-ATOM    121  N   LEU A  50       7.273  60.539   3.464  1.00 27.47           N  
-ATOM    122  CA  LEU A  50       7.371  59.956   2.111  1.00 29.26           C  
-ATOM    123  C   LEU A  50       6.148  60.379   1.280  1.00 30.24           C  
-ATOM    124  O   LEU A  50       6.033  59.874   0.152  1.00 29.54           O  
-ATOM    125  CB  LEU A  50       7.437  58.435   2.228  1.00 29.48           C  
-ATOM    126  CG  LEU A  50       8.695  57.768   2.743  1.00 26.12           C  
-ATOM    127  CD1 LEU A  50       8.589  56.269   2.450  1.00 22.03           C  
-ATOM    128  CD2 LEU A  50       9.891  58.370   2.004  1.00 20.13           C  
-ATOM    129  N   GLY A  51       5.167  60.930   1.965  1.00 31.39           N  
-ATOM    130  CA  GLY A  51       3.969  61.481   1.324  1.00 32.89           C  
-ATOM    131  C   GLY A  51       2.854  60.441   1.312  1.00 35.60           C  
-ATOM    132  O   GLY A  51       1.675  60.766   1.076  1.00 36.69           O  
-ATOM    133  N   TRP A  52       3.251  59.202   1.566  1.00 36.20           N  
-ATOM    134  CA  TRP A  52       2.266  58.109   1.648  1.00 38.66           C  
-ATOM    135  C   TRP A  52       1.344  58.374   2.842  1.00 39.73           C  
-ATOM    136  O   TRP A  52       0.679  57.470   3.355  1.00 39.61           O  
-ATOM    137  CB  TRP A  52       2.912  56.753   1.687  1.00 44.87           C  
-ATOM    138  CG  TRP A  52       3.985  56.406   0.726  1.00 54.62           C  
-ATOM    139  CD1 TRP A  52       4.217  56.918  -0.516  1.00 56.70           C  
-ATOM    140  CD2 TRP A  52       4.985  55.376   0.920  1.00 58.53           C  
-ATOM    141  NE1 TRP A  52       5.308  56.310  -1.089  1.00 61.82           N  
-ATOM    142  CE2 TRP A  52       5.803  55.369  -0.227  1.00 60.73           C  
-ATOM    143  CE3 TRP A  52       5.270  54.502   1.970  1.00 54.95           C  
-ATOM    144  CZ2 TRP A  52       6.863  54.481  -0.377  1.00 56.06           C  
-ATOM    145  CZ3 TRP A  52       6.332  53.637   1.832  1.00 51.06           C  
-ATOM    146  CH2 TRP A  52       7.124  53.629   0.684  1.00 53.13           C  
-ATOM    147  N   GLN A  53       1.322  59.616   3.267  1.00 43.19           N  
-ATOM    148  CA  GLN A  53       0.626  60.060   4.480  1.00 45.15           C  
-ATOM    149  C   GLN A  53      -0.823  59.579   4.477  1.00 46.00           C  
-ATOM    150  O   GLN A  53      -1.421  59.482   5.559  1.00 46.47           O  
-ATOM    151  CB  GLN A  53       0.648  61.592   4.619  1.00 49.21           C  
-ATOM    152  CG  GLN A  53       1.447  62.289   3.533  1.00 58.25           C  
-ATOM    153  CD  GLN A  53       2.102  63.574   3.993  1.00 66.81           C  
-ATOM    154  OE1 GLN A  53       2.829  64.259   3.263  1.00 66.26           O  
-ATOM    155  NE2 GLN A  53       1.761  63.955   5.227  1.00 68.90           N  
-ATOM    156  N   ASP A  54      -1.403  59.475   3.297  1.00 47.08           N  
-ATOM    157  CA  ASP A  54      -2.836  59.496   3.048  1.00 48.22           C  
-ATOM    158  C   ASP A  54      -3.547  58.158   3.015  1.00 49.92           C  
-ATOM    159  O   ASP A  54      -4.633  58.009   3.627  1.00 53.53           O  
-ATOM    160  CB  ASP A  54      -3.153  60.394   1.849  1.00 49.60           C  
-ATOM    161  CG  ASP A  54      -2.009  60.399   0.843  1.00 50.21           C  
-ATOM    162  OD1 ASP A  54      -1.514  59.320   0.480  1.00 42.99           O  
-ATOM    163  OD2 ASP A  54      -1.602  61.536   0.504  1.00 50.40           O  
-ATOM    164  N   TRP A  55      -3.129  57.274   2.122  1.00 48.25           N  
-ATOM    165  CA  TRP A  55      -3.732  55.965   1.943  1.00 45.53           C  
-ATOM    166  C   TRP A  55      -3.559  54.991   3.109  1.00 42.25           C  
-ATOM    167  O   TRP A  55      -4.197  53.910   3.002  1.00 43.01           O  
-ATOM    168  CB  TRP A  55      -3.312  55.272   0.665  1.00 49.50           C  
-ATOM    169  CG  TRP A  55      -2.816  56.090  -0.464  1.00 56.68           C  
-ATOM    170  CD1 TRP A  55      -3.539  56.489  -1.561  1.00 59.57           C  
-ATOM    171  CD2 TRP A  55      -1.425  56.276  -0.806  1.00 57.02           C  
-ATOM    172  NE1 TRP A  55      -2.691  56.934  -2.553  1.00 61.90           N  
-ATOM    173  CE2 TRP A  55      -1.395  56.788  -2.127  1.00 60.53           C  
-ATOM    174  CE3 TRP A  55      -0.235  56.075  -0.116  1.00 52.88           C  
-ATOM    175  CZ2 TRP A  55      -0.199  57.099  -2.768  1.00 57.64           C  
-ATOM    176  CZ3 TRP A  55       0.953  56.309  -0.783  1.00 52.53           C  
-ATOM    177  CH2 TRP A  55       0.978  56.820  -2.080  1.00 51.34           C  
-ATOM    178  N   ILE A  56      -2.463  55.060   3.835  1.00 37.28           N  
-ATOM    179  CA  ILE A  56      -2.093  54.102   4.882  1.00 30.82           C  
-ATOM    180  C   ILE A  56      -2.848  54.424   6.185  1.00 30.61           C  
-ATOM    181  O   ILE A  56      -2.250  55.177   6.982  1.00 34.59           O  
-ATOM    182  CB  ILE A  56      -0.548  54.254   5.202  1.00 23.84           C  
-ATOM    183  CG1 ILE A  56       0.292  53.560   4.111  1.00 25.56           C  
-ATOM    184  CG2 ILE A  56      -0.197  53.739   6.620  1.00 17.41           C  
-ATOM    185  CD1 ILE A  56      -0.305  53.770   2.682  1.00 34.88           C  
-ATOM    186  N   ILE A  57      -3.771  53.559   6.562  1.00 26.74           N  
-ATOM    187  CA  ILE A  57      -4.348  53.565   7.905  1.00 22.76           C  
-ATOM    188  C   ILE A  57      -3.244  53.360   8.958  1.00 20.94           C  
-ATOM    189  O   ILE A  57      -3.369  53.952  10.057  1.00 23.16           O  
-ATOM    190  CB  ILE A  57      -5.458  52.483   8.098  1.00 25.78           C  
-ATOM    191  CG1 ILE A  57      -6.601  52.618   7.075  1.00 31.03           C  
-ATOM    192  CG2 ILE A  57      -5.983  52.430   9.554  1.00 29.41           C  
-ATOM    193  CD1 ILE A  57      -7.758  51.588   7.310  1.00 33.85           C  
-ATOM    194  N   ALA A  58      -2.498  52.268   8.808  1.00 16.83           N  
-ATOM    195  CA  ALA A  58      -1.550  51.867   9.847  1.00 16.83           C  
-ATOM    196  C   ALA A  58      -0.366  51.145   9.241  1.00 17.85           C  
-ATOM    197  O   ALA A  58      -0.761  50.325   8.396  1.00 18.64           O  
-ATOM    198  CB  ALA A  58      -2.133  51.131  11.022  1.00 11.13           C  
-ATOM    199  N   PRO A  59       0.771  51.165   9.911  1.00 15.63           N  
-ATOM    200  CA  PRO A  59       1.230  52.179  10.845  1.00 15.07           C  
-ATOM    201  C   PRO A  59       1.530  53.555  10.306  1.00 17.14           C  
-ATOM    202  O   PRO A  59       1.362  53.873   9.116  1.00 17.02           O  
-ATOM    203  CB  PRO A  59       2.424  51.518  11.510  1.00 11.66           C  
-ATOM    204  CG  PRO A  59       3.085  50.774  10.383  1.00  6.76           C  
-ATOM    205  CD  PRO A  59       1.992  50.548   9.373  1.00 12.66           C  
-ATOM    206  N   GLU A  60       1.946  54.447  11.221  1.00 18.84           N  
-ATOM    207  CA  GLU A  60       2.411  55.763  10.776  1.00 23.60           C  
-ATOM    208  C   GLU A  60       3.671  55.646   9.901  1.00 23.87           C  
-ATOM    209  O   GLU A  60       3.835  56.368   8.914  1.00 24.53           O  
-ATOM    210  CB  GLU A  60       2.799  56.788  11.847  1.00 27.59           C  
-ATOM    211  CG  GLU A  60       3.843  57.779  11.281  1.00 42.97           C  
-ATOM    212  CD  GLU A  60       4.568  58.665  12.240  1.00 50.51           C  
-ATOM    213  OE1 GLU A  60       5.612  58.381  12.807  1.00 46.04           O  
-ATOM    214  OE2 GLU A  60       4.055  59.815  12.276  1.00 56.62           O  
-ATOM    215  N   GLY A  61       4.671  55.031  10.494  1.00 25.91           N  
-ATOM    216  CA  GLY A  61       5.981  54.777   9.880  1.00 25.34           C  
-ATOM    217  C   GLY A  61       6.547  53.482  10.456  1.00 22.80           C  
-ATOM    218  O   GLY A  61       5.804  52.754  11.129  1.00 24.34           O  
-ATOM    219  N   TYR A  62       7.844  53.289  10.301  1.00 21.49           N  
-ATOM    220  CA  TYR A  62       8.459  52.046  10.811  1.00 22.30           C  
-ATOM    221  C   TYR A  62       9.957  52.184  11.016  1.00 24.56           C  
-ATOM    222  O   TYR A  62      10.554  53.246  10.785  1.00 27.57           O  
-ATOM    223  CB  TYR A  62       8.099  50.910   9.843  1.00 17.44           C  
-ATOM    224  CG  TYR A  62       8.703  51.092   8.476  1.00 13.50           C  
-ATOM    225  CD1 TYR A  62       8.063  51.815   7.464  1.00 18.34           C  
-ATOM    226  CD2 TYR A  62       9.860  50.394   8.141  1.00 17.45           C  
-ATOM    227  CE1 TYR A  62       8.648  51.970   6.199  1.00 19.00           C  
-ATOM    228  CE2 TYR A  62      10.401  50.444   6.858  1.00 18.28           C  
-ATOM    229  CZ  TYR A  62       9.822  51.278   5.916  1.00 21.06           C  
-ATOM    230  OH  TYR A  62      10.481  51.409   4.724  1.00 35.18           O  
-ATOM    231  N   ALA A  63      10.531  51.147  11.612  1.00 22.11           N  
-ATOM    232  CA  ALA A  63      11.993  51.037  11.789  1.00 15.49           C  
-ATOM    233  C   ALA A  63      12.578  50.361  10.550  1.00 14.86           C  
-ATOM    234  O   ALA A  63      12.276  49.179  10.302  1.00 18.60           O  
-ATOM    235  CB  ALA A  63      12.276  50.215  13.040  1.00  4.66           C  
-ATOM    236  N   ALA A  64      13.279  51.128   9.740  1.00 13.27           N  
-ATOM    237  CA  ALA A  64      13.832  50.593   8.483  1.00 14.75           C  
-ATOM    238  C   ALA A  64      15.285  50.148   8.721  1.00 16.07           C  
-ATOM    239  O   ALA A  64      15.872  49.383   7.948  1.00 16.59           O  
-ATOM    240  CB  ALA A  64      13.804  51.697   7.432  1.00 15.71           C  
-ATOM    241  N   TYR A  65      15.913  50.916   9.589  1.00 15.98           N  
-ATOM    242  CA  TYR A  65      17.353  50.743   9.888  1.00 10.29           C  
-ATOM    243  C   TYR A  65      18.147  51.030   8.626  1.00  8.17           C  
-ATOM    244  O   TYR A  65      17.607  51.208   7.516  1.00  3.29           O  
-ATOM    245  CB  TYR A  65      17.498  49.290  10.383  1.00 12.79           C  
-ATOM    246  CG  TYR A  65      16.854  49.070  11.737  1.00 18.08           C  
-ATOM    247  CD1 TYR A  65      17.359  49.697  12.876  1.00 17.38           C  
-ATOM    248  CD2 TYR A  65      15.730  48.268  11.870  1.00 18.80           C  
-ATOM    249  CE1 TYR A  65      16.708  49.597  14.105  1.00 19.85           C  
-ATOM    250  CE2 TYR A  65      15.067  48.144  13.086  1.00 19.58           C  
-ATOM    251  CZ  TYR A  65      15.555  48.814  14.199  1.00 25.66           C  
-ATOM    252  OH  TYR A  65      14.903  48.640  15.394  1.00 33.34           O  
-ATOM    253  N   TYR A  66      19.452  51.037   8.776  1.00 12.75           N  
-ATOM    254  CA  TYR A  66      20.352  51.149   7.604  1.00 16.55           C  
-ATOM    255  C   TYR A  66      21.738  50.655   8.002  1.00 15.74           C  
-ATOM    256  O   TYR A  66      22.046  50.639   9.212  1.00 14.92           O  
-ATOM    257  CB  TYR A  66      20.347  52.561   7.032  1.00 18.70           C  
-ATOM    258  CG  TYR A  66      21.096  53.604   7.830  1.00 19.12           C  
-ATOM    259  CD1 TYR A  66      20.534  54.169   8.972  1.00 28.39           C  
-ATOM    260  CD2 TYR A  66      22.283  54.155   7.360  1.00 18.55           C  
-ATOM    261  CE1 TYR A  66      21.185  55.166   9.691  1.00 31.86           C  
-ATOM    262  CE2 TYR A  66      22.992  55.091   8.101  1.00 19.99           C  
-ATOM    263  CZ  TYR A  66      22.474  55.534   9.309  1.00 25.15           C  
-ATOM    264  OH  TYR A  66      23.150  56.494   9.998  1.00 32.60           O  
-ATOM    265  N   CYS A  67      22.427  50.090   7.032  1.00 14.81           N  
-ATOM    266  CA  CYS A  67      23.822  49.622   7.233  1.00 14.92           C  
-ATOM    267  C   CYS A  67      24.780  50.788   6.924  1.00 16.79           C  
-ATOM    268  O   CYS A  67      24.836  51.300   5.790  1.00 11.23           O  
-ATOM    269  CB  CYS A  67      24.122  48.487   6.228  1.00 13.56           C  
-ATOM    270  SG  CYS A  67      23.178  46.988   6.672  1.00  9.72           S  
-ATOM    271  N   GLU A  68      25.667  50.999   7.891  1.00 19.09           N  
-ATOM    272  CA  GLU A  68      26.813  51.882   7.645  1.00 21.02           C  
-ATOM    273  C   GLU A  68      28.007  51.473   8.494  1.00 25.23           C  
-ATOM    274  O   GLU A  68      27.869  51.094   9.670  1.00 29.10           O  
-ATOM    275  CB  GLU A  68      26.495  53.336   7.957  1.00 16.59           C  
-ATOM    276  CG  GLU A  68      27.325  54.371   7.198  1.00 20.23           C  
-ATOM    277  CD  GLU A  68      27.264  55.759   7.762  1.00 25.85           C  
-ATOM    278  OE1 GLU A  68      26.880  55.997   8.897  1.00 29.52           O  
-ATOM    279  OE2 GLU A  68      27.515  56.622   6.889  1.00 27.39           O  
-ATOM    280  N   GLY A  69      29.167  51.803   7.948  1.00 24.50           N  
-ATOM    281  CA  GLY A  69      30.435  51.567   8.670  1.00 24.88           C  
-ATOM    282  C   GLY A  69      31.475  51.120   7.644  1.00 25.89           C  
-ATOM    283  O   GLY A  69      31.169  50.987   6.443  1.00 25.63           O  
-ATOM    284  N   GLU A  70      32.644  50.815   8.186  1.00 27.14           N  
-ATOM    285  CA  GLU A  70      33.775  50.451   7.327  1.00 27.47           C  
-ATOM    286  C   GLU A  70      33.997  48.936   7.371  1.00 24.65           C  
-ATOM    287  O   GLU A  70      33.990  48.396   8.478  1.00 24.81           O  
-ATOM    288  CB  GLU A  70      35.082  51.091   7.782  1.00 32.62           C  
-ATOM    289  CG  GLU A  70      35.989  51.568   6.646  1.00 41.92           C  
-ATOM    290  CD  GLU A  70      37.210  52.327   7.083  1.00 52.94           C  
-ATOM    291  OE1 GLU A  70      37.679  52.273   8.211  1.00 49.85           O  
-ATOM    292  OE2 GLU A  70      37.659  52.992   6.123  1.00 57.98           O  
-ATOM    293  N   CYS A  71      34.464  48.455   6.232  1.00 23.53           N  
-ATOM    294  CA  CYS A  71      34.905  47.084   6.015  1.00 21.71           C  
-ATOM    295  C   CYS A  71      36.401  46.957   5.728  1.00 20.57           C  
-ATOM    296  O   CYS A  71      36.832  46.968   4.568  1.00 20.06           O  
-ATOM    297  CB  CYS A  71      34.131  46.465   4.850  1.00 17.98           C  
-ATOM    298  SG  CYS A  71      32.421  46.249   5.278  1.00 14.43           S  
-ATOM    299  N   ALA A  72      37.103  46.728   6.814  1.00 18.15           N  
-ATOM    300  CA  ALA A  72      38.573  46.650   6.789  1.00 20.49           C  
-ATOM    301  C   ALA A  72      39.002  45.807   7.982  1.00 21.77           C  
-ATOM    302  O   ALA A  72      38.177  45.492   8.861  1.00 21.86           O  
-ATOM    303  CB  ALA A  72      39.123  48.067   6.844  1.00 26.83           C  
-ATOM    304  N   PHE A  73      40.222  45.304   7.883  1.00 22.70           N  
-ATOM    305  CA  PHE A  73      40.706  44.401   8.970  1.00 20.49           C  
-ATOM    306  C   PHE A  73      40.834  45.226  10.233  1.00 18.01           C  
-ATOM    307  O   PHE A  73      40.990  46.436   9.953  1.00 19.57           O  
-ATOM    308  CB  PHE A  73      41.967  43.668   8.548  1.00 16.10           C  
-ATOM    309  CG  PHE A  73      41.981  43.022   7.191  1.00  4.29           C  
-ATOM    310  CD1 PHE A  73      41.357  41.798   7.002  1.00  5.30           C  
-ATOM    311  CD2 PHE A  73      42.863  43.464   6.213  1.00  3.42           C  
-ATOM    312  CE1 PHE A  73      41.455  41.111   5.802  1.00  7.03           C  
-ATOM    313  CE2 PHE A  73      42.903  42.864   4.955  1.00  9.04           C  
-ATOM    314  CZ  PHE A  73      42.200  41.666   4.753  1.00 13.43           C  
-ATOM    315  N   PRO A  74      40.308  44.821  11.359  1.00 17.10           N  
-ATOM    316  CA  PRO A  74      39.943  43.445  11.690  1.00 19.52           C  
-ATOM    317  C   PRO A  74      38.551  43.260  11.054  1.00 22.54           C  
-ATOM    318  O   PRO A  74      37.760  44.203  11.201  1.00 26.38           O  
-ATOM    319  CB  PRO A  74      39.780  43.361  13.200  1.00 18.52           C  
-ATOM    320  CG  PRO A  74      40.477  44.583  13.720  1.00 22.65           C  
-ATOM    321  CD  PRO A  74      40.371  45.593  12.601  1.00 20.16           C  
-ATOM    322  N   LEU A  75      38.458  42.258  10.209  1.00 23.43           N  
-ATOM    323  CA  LEU A  75      37.138  41.780   9.760  1.00 22.95           C  
-ATOM    324  C   LEU A  75      36.660  40.754  10.790  1.00 28.20           C  
-ATOM    325  O   LEU A  75      36.689  39.537  10.534  1.00 28.97           O  
-ATOM    326  CB  LEU A  75      37.295  41.235   8.342  1.00 16.15           C  
-ATOM    327  CG  LEU A  75      36.540  41.949   7.232  1.00 15.93           C  
-ATOM    328  CD1 LEU A  75      36.619  43.458   7.477  1.00 23.06           C  
-ATOM    329  CD2 LEU A  75      37.176  41.631   5.884  1.00 18.61           C  
-ATOM    330  N   ASN A  76      36.226  41.266  11.937  1.00 34.35           N  
-ATOM    331  CA  ASN A  76      35.572  40.417  12.948  1.00 42.69           C  
-ATOM    332  C   ASN A  76      34.380  39.677  12.331  1.00 45.64           C  
-ATOM    333  O   ASN A  76      33.701  40.139  11.401  1.00 45.79           O  
-ATOM    334  CB  ASN A  76      35.230  41.144  14.238  1.00 50.30           C  
-ATOM    335  CG  ASN A  76      36.035  42.416  14.442  1.00 53.73           C  
-ATOM    336  OD1 ASN A  76      36.641  42.639  15.498  1.00 56.15           O  
-ATOM    337  ND2 ASN A  76      36.132  43.183  13.355  1.00 58.64           N  
-ATOM    338  N   SER A  77      34.079  38.571  12.987  1.00 47.34           N  
-ATOM    339  CA  SER A  77      33.066  37.603  12.551  1.00 46.12           C  
-ATOM    340  C   SER A  77      31.663  38.180  12.692  1.00 47.28           C  
-ATOM    341  O   SER A  77      30.775  37.873  11.870  1.00 48.67           O  
-ATOM    342  CB  SER A  77      33.216  36.331  13.381  1.00 42.24           C  
-ATOM    343  OG  SER A  77      33.423  36.689  14.741  1.00 40.42           O  
-ATOM    344  N   TYR A  78      31.427  38.868  13.805  1.00 47.65           N  
-ATOM    345  CA  TYR A  78      30.106  39.486  13.995  1.00 48.66           C  
-ATOM    346  C   TYR A  78      30.041  40.813  13.244  1.00 43.10           C  
-ATOM    347  O   TYR A  78      29.755  41.850  13.854  1.00 44.03           O  
-ATOM    348  CB  TYR A  78      29.537  39.490  15.401  1.00 59.16           C  
-ATOM    349  CG  TYR A  78      28.830  38.196  15.776  1.00 74.20           C  
-ATOM    350  CD1 TYR A  78      28.814  37.121  14.876  1.00 78.90           C  
-ATOM    351  CD2 TYR A  78      28.285  37.997  17.043  1.00 78.19           C  
-ATOM    352  CE1 TYR A  78      28.238  35.901  15.217  1.00 84.16           C  
-ATOM    353  CE2 TYR A  78      27.711  36.779  17.404  1.00 83.28           C  
-ATOM    354  CZ  TYR A  78      27.694  35.731  16.492  1.00 85.83           C  
-ATOM    355  OH  TYR A  78      27.188  34.520  16.886  1.00 85.89           O  
-ATOM    356  N   MET A  79      30.486  40.708  12.013  1.00 34.25           N  
-ATOM    357  CA  MET A  79      30.744  41.775  11.039  1.00 25.08           C  
-ATOM    358  C   MET A  79      30.596  41.089   9.667  1.00 20.10           C  
-ATOM    359  O   MET A  79      30.676  41.708   8.610  1.00 17.49           O  
-ATOM    360  CB  MET A  79      32.131  42.379  11.199  1.00 22.53           C  
-ATOM    361  CG  MET A  79      32.515  43.272  10.060  1.00 26.34           C  
-ATOM    362  SD  MET A  79      33.916  44.345  10.616  1.00 29.00           S  
-ATOM    363  CE  MET A  79      33.314  44.772  12.245  1.00 20.67           C  
-ATOM    364  N   ASN A  80      30.173  39.849   9.787  1.00 20.72           N  
-ATOM    365  CA  ASN A  80      29.798  38.962   8.694  1.00 23.89           C  
-ATOM    366  C   ASN A  80      30.447  39.381   7.387  1.00 23.03           C  
-ATOM    367  O   ASN A  80      29.828  40.097   6.588  1.00 24.58           O  
-ATOM    368  CB  ASN A  80      28.297  38.697   8.607  1.00 33.08           C  
-ATOM    369  CG  ASN A  80      27.852  38.024   7.316  1.00 46.30           C  
-ATOM    370  OD1 ASN A  80      28.039  38.536   6.195  1.00 44.92           O  
-ATOM    371  ND2 ASN A  80      27.199  36.857   7.438  1.00 49.29           N  
-ATOM    372  N   ALA A  81      31.561  38.755   7.070  1.00 24.70           N  
-ATOM    373  CA  ALA A  81      32.258  39.058   5.791  1.00 22.74           C  
-ATOM    374  C   ALA A  81      32.232  37.765   4.981  1.00 21.78           C  
-ATOM    375  O   ALA A  81      32.329  36.706   5.627  1.00 25.59           O  
-ATOM    376  CB  ALA A  81      33.678  39.512   6.110  1.00 19.18           C  
-ATOM    377  N   THR A  82      32.026  37.853   3.681  1.00 17.43           N  
-ATOM    378  CA  THR A  82      32.181  36.644   2.855  1.00 16.73           C  
-ATOM    379  C   THR A  82      33.661  36.462   2.521  1.00 21.40           C  
-ATOM    380  O   THR A  82      34.455  37.387   2.758  1.00 25.92           O  
-ATOM    381  CB  THR A  82      31.326  36.728   1.542  1.00 13.88           C  
-ATOM    382  OG1 THR A  82      31.727  37.948   0.868  1.00  7.95           O  
-ATOM    383  CG2 THR A  82      29.829  36.572   1.760  1.00 14.83           C  
-ATOM    384  N   ASN A  83      33.956  35.395   1.802  1.00 21.15           N  
-ATOM    385  CA  ASN A  83      35.336  35.066   1.429  1.00 18.89           C  
-ATOM    386  C   ASN A  83      35.852  36.155   0.489  1.00 18.03           C  
-ATOM    387  O   ASN A  83      36.951  36.684   0.634  1.00 21.40           O  
-ATOM    388  CB  ASN A  83      35.443  33.685   0.781  1.00 23.25           C  
-ATOM    389  CG  ASN A  83      35.444  32.573   1.824  1.00 23.91           C  
-ATOM    390  OD1 ASN A  83      35.625  32.869   3.013  1.00 24.72           O  
-ATOM    391  ND2 ASN A  83      35.033  31.394   1.380  1.00 24.06           N  
-ATOM    392  N   HIS A  84      35.029  36.389  -0.507  1.00 16.50           N  
-ATOM    393  CA  HIS A  84      35.324  37.446  -1.498  1.00 14.83           C  
-ATOM    394  C   HIS A  84      35.675  38.744  -0.786  1.00 17.13           C  
-ATOM    395  O   HIS A  84      36.728  39.357  -1.060  1.00 17.90           O  
-ATOM    396  CB  HIS A  84      34.246  37.587  -2.566  1.00  6.40           C  
-ATOM    397  CG  HIS A  84      34.611  38.540  -3.648  1.00  5.38           C  
-ATOM    398  ND1 HIS A  84      34.666  39.905  -3.494  1.00  4.32           N  
-ATOM    399  CD2 HIS A  84      34.855  38.283  -4.963  1.00  6.90           C  
-ATOM    400  CE1 HIS A  84      35.023  40.431  -4.659  1.00  9.58           C  
-ATOM    401  NE2 HIS A  84      35.129  39.484  -5.580  1.00  3.11           N  
-ATOM    402  N   ALA A  85      34.988  39.004   0.321  1.00 16.69           N  
-ATOM    403  CA  ALA A  85      35.184  40.209   1.116  1.00 16.97           C  
-ATOM    404  C   ALA A  85      36.610  40.263   1.661  1.00 19.18           C  
-ATOM    405  O   ALA A  85      37.069  41.382   1.984  1.00 25.32           O  
-ATOM    406  CB  ALA A  85      34.181  40.340   2.253  1.00 17.56           C  
-ATOM    407  N   ILE A  86      37.095  39.118   2.133  1.00 15.53           N  
-ATOM    408  CA  ILE A  86      38.459  39.064   2.657  1.00 12.35           C  
-ATOM    409  C   ILE A  86      39.491  39.287   1.546  1.00 12.15           C  
-ATOM    410  O   ILE A  86      40.396  40.125   1.697  1.00 16.77           O  
-ATOM    411  CB  ILE A  86      38.767  37.771   3.454  1.00 10.33           C  
-ATOM    412  CG1 ILE A  86      37.904  37.707   4.722  1.00 15.37           C  
-ATOM    413  CG2 ILE A  86      40.288  37.646   3.731  1.00  9.97           C  
-ATOM    414  CD1 ILE A  86      37.780  36.294   5.336  1.00 11.80           C  
-ATOM    415  N   VAL A  87      39.431  38.461   0.525  1.00  6.77           N  
-ATOM    416  CA  VAL A  87      40.319  38.617  -0.627  1.00  3.86           C  
-ATOM    417  C   VAL A  87      40.349  40.104  -0.993  1.00  9.66           C  
-ATOM    418  O   VAL A  87      41.385  40.772  -0.864  1.00 13.54           O  
-ATOM    419  CB  VAL A  87      39.838  37.762  -1.810  1.00  4.10           C  
-ATOM    420  CG1 VAL A  87      40.203  38.456  -3.108  1.00  6.84           C  
-ATOM    421  CG2 VAL A  87      40.296  36.332  -1.764  1.00  5.45           C  
-ATOM    422  N   GLN A  88      39.174  40.639  -1.269  1.00 14.11           N  
-ATOM    423  CA  GLN A  88      39.032  42.026  -1.746  1.00 12.42           C  
-ATOM    424  C   GLN A  88      39.510  43.011  -0.696  1.00  9.84           C  
-ATOM    425  O   GLN A  88      40.340  43.893  -0.968  1.00 11.94           O  
-ATOM    426  CB  GLN A  88      37.705  42.390  -2.356  1.00 15.51           C  
-ATOM    427  CG  GLN A  88      37.203  43.775  -2.008  1.00 19.62           C  
-ATOM    428  CD  GLN A  88      36.137  44.275  -2.957  1.00 13.59           C  
-ATOM    429  OE1 GLN A  88      35.650  43.529  -3.785  1.00 25.40           O  
-ATOM    430  NE2 GLN A  88      35.676  45.490  -2.711  1.00 14.45           N  
-ATOM    431  N   THR A  89      39.143  42.734   0.557  1.00  5.58           N  
-ATOM    432  CA  THR A  89      39.706  43.621   1.591  1.00  6.26           C  
-ATOM    433  C   THR A  89      41.229  43.535   1.509  1.00 13.45           C  
-ATOM    434  O   THR A  89      41.880  44.454   2.029  1.00 20.72           O  
-ATOM    435  CB  THR A  89      39.199  43.359   3.049  1.00  2.92           C  
-ATOM    436  OG1 THR A  89      37.820  43.812   3.061  1.00  8.18           O  
-ATOM    437  CG2 THR A  89      40.018  44.137   4.098  1.00  5.18           C  
-ATOM    438  N   LEU A  90      41.764  42.414   1.062  1.00 14.43           N  
-ATOM    439  CA  LEU A  90      43.218  42.158   1.179  1.00 13.47           C  
-ATOM    440  C   LEU A  90      43.923  42.759  -0.036  1.00 13.64           C  
-ATOM    441  O   LEU A  90      44.705  43.705   0.119  1.00 16.98           O  
-ATOM    442  CB  LEU A  90      43.487  40.649   1.263  1.00 14.62           C  
-ATOM    443  CG  LEU A  90      44.977  40.288   1.200  1.00 13.82           C  
-ATOM    444  CD1 LEU A  90      45.588  40.558   2.565  1.00 10.92           C  
-ATOM    445  CD2 LEU A  90      45.097  38.805   0.831  1.00 13.12           C  
-ATOM    446  N   VAL A  91      43.494  42.289  -1.203  1.00  8.77           N  
-ATOM    447  CA  VAL A  91      44.007  42.885  -2.453  1.00  7.03           C  
-ATOM    448  C   VAL A  91      44.101  44.403  -2.286  1.00 10.22           C  
-ATOM    449  O   VAL A  91      44.849  45.064  -3.004  1.00 13.43           O  
-ATOM    450  CB  VAL A  91      43.081  42.571  -3.635  1.00  6.87           C  
-ATOM    451  CG1 VAL A  91      43.555  43.343  -4.871  1.00  8.19           C  
-ATOM    452  CG2 VAL A  91      43.065  41.085  -3.932  1.00 11.46           C  
-ATOM    453  N   HIS A  92      43.037  44.936  -1.730  1.00 17.38           N  
-ATOM    454  CA  HIS A  92      42.911  46.396  -1.528  1.00 19.48           C  
-ATOM    455  C   HIS A  92      44.216  46.872  -0.861  1.00 17.38           C  
-ATOM    456  O   HIS A  92      44.899  47.758  -1.388  1.00 16.65           O  
-ATOM    457  CB  HIS A  92      41.752  46.748  -0.555  1.00 18.40           C  
-ATOM    458  CG  HIS A  92      41.695  48.228  -0.301  1.00 18.94           C  
-ATOM    459  ND1 HIS A  92      41.624  49.178  -1.296  1.00 17.14           N  
-ATOM    460  CD2 HIS A  92      41.768  48.905   0.872  1.00 15.47           C  
-ATOM    461  CE1 HIS A  92      41.599  50.369  -0.730  1.00 20.21           C  
-ATOM    462  NE2 HIS A  92      41.632  50.225   0.576  1.00 14.02           N  
-ATOM    463  N   PHE A  93      44.399  46.317   0.315  1.00 17.27           N  
-ATOM    464  CA  PHE A  93      45.536  46.620   1.188  1.00 23.20           C  
-ATOM    465  C   PHE A  93      46.865  46.514   0.451  1.00 29.50           C  
-ATOM    466  O   PHE A  93      47.814  47.252   0.771  1.00 36.43           O  
-ATOM    467  CB  PHE A  93      45.533  45.803   2.479  1.00 21.34           C  
-ATOM    468  CG  PHE A  93      46.892  45.421   2.966  1.00 25.35           C  
-ATOM    469  CD1 PHE A  93      47.652  44.502   2.234  1.00 35.37           C  
-ATOM    470  CD2 PHE A  93      47.484  46.107   4.030  1.00 25.97           C  
-ATOM    471  CE1 PHE A  93      48.930  44.140   2.657  1.00 37.75           C  
-ATOM    472  CE2 PHE A  93      48.782  45.785   4.436  1.00 32.15           C  
-ATOM    473  CZ  PHE A  93      49.535  44.844   3.707  1.00 31.97           C  
-ATOM    474  N   ILE A  94      46.978  45.581  -0.468  1.00 27.28           N  
-ATOM    475  CA  ILE A  94      48.181  45.447  -1.299  1.00 24.47           C  
-ATOM    476  C   ILE A  94      48.241  46.611  -2.295  1.00 25.92           C  
-ATOM    477  O   ILE A  94      49.309  46.962  -2.822  1.00 27.85           O  
-ATOM    478  CB  ILE A  94      48.156  44.083  -2.051  1.00 21.82           C  
-ATOM    479  CG1 ILE A  94      48.718  42.923  -1.201  1.00 20.63           C  
-ATOM    480  CG2 ILE A  94      48.782  44.124  -3.461  1.00 20.80           C  
-ATOM    481  CD1 ILE A  94      48.410  41.553  -1.901  1.00 25.25           C  
-ATOM    482  N   ASN A  95      47.071  47.020  -2.740  1.00 27.83           N  
-ATOM    483  CA  ASN A  95      46.969  47.855  -3.957  1.00 28.49           C  
-ATOM    484  C   ASN A  95      45.647  48.621  -3.943  1.00 26.51           C  
-ATOM    485  O   ASN A  95      44.763  48.340  -4.758  1.00 25.51           O  
-ATOM    486  CB  ASN A  95      47.109  46.915  -5.159  1.00 35.14           C  
-ATOM    487  CG  ASN A  95      48.076  47.503  -6.178  1.00 52.59           C  
-ATOM    488  OD1 ASN A  95      48.209  48.739  -6.211  1.00 60.24           O  
-ATOM    489  ND2 ASN A  95      48.720  46.632  -6.951  1.00 58.52           N  
-ATOM    490  N   PRO A  96      45.660  49.681  -3.155  1.00 25.34           N  
-ATOM    491  CA  PRO A  96      44.465  50.524  -2.973  1.00 29.72           C  
-ATOM    492  C   PRO A  96      43.913  50.893  -4.341  1.00 36.22           C  
-ATOM    493  O   PRO A  96      42.773  50.541  -4.684  1.00 39.83           O  
-ATOM    494  CB  PRO A  96      45.017  51.751  -2.240  1.00 26.62           C  
-ATOM    495  CG  PRO A  96      46.117  51.144  -1.388  1.00 26.28           C  
-ATOM    496  CD  PRO A  96      46.790  50.167  -2.353  1.00 21.01           C  
-ATOM    497  N   GLU A  97      44.785  51.509  -5.118  1.00 40.58           N  
-ATOM    498  CA  GLU A  97      44.405  51.916  -6.484  1.00 45.53           C  
-ATOM    499  C   GLU A  97      43.628  50.784  -7.146  1.00 42.42           C  
-ATOM    500  O   GLU A  97      42.583  50.980  -7.788  1.00 43.58           O  
-ATOM    501  CB  GLU A  97      45.641  52.241  -7.312  1.00 59.65           C  
-ATOM    502  CG  GLU A  97      46.821  52.960  -6.679  1.00 74.54           C  
-ATOM    503  CD  GLU A  97      46.579  54.267  -5.985  1.00 84.84           C  
-ATOM    504  OE1 GLU A  97      45.917  55.192  -6.434  1.00 88.22           O  
-ATOM    505  OE2 GLU A  97      47.208  54.354  -4.900  1.00 86.77           O  
-ATOM    506  N   THR A  98      44.038  49.563  -6.857  1.00 39.76           N  
-ATOM    507  CA  THR A  98      43.512  48.373  -7.538  1.00 38.55           C  
-ATOM    508  C   THR A  98      42.018  48.147  -7.297  1.00 32.94           C  
-ATOM    509  O   THR A  98      41.302  47.616  -8.185  1.00 31.74           O  
-ATOM    510  CB  THR A  98      44.337  47.088  -7.097  1.00 41.66           C  
-ATOM    511  OG1 THR A  98      45.712  47.336  -7.508  1.00 41.52           O  
-ATOM    512  CG2 THR A  98      43.768  45.784  -7.654  1.00 46.80           C  
-ATOM    513  N   VAL A  99      41.620  48.370  -6.048  1.00 21.60           N  
-ATOM    514  CA  VAL A  99      40.292  47.944  -5.602  1.00 16.34           C  
-ATOM    515  C   VAL A  99      39.982  48.583  -4.240  1.00 18.22           C  
-ATOM    516  O   VAL A  99      40.838  48.601  -3.332  1.00 16.12           O  
-ATOM    517  CB  VAL A  99      40.279  46.406  -5.548  1.00 17.39           C  
-ATOM    518  CG1 VAL A  99      40.137  45.856  -4.133  1.00 18.05           C  
-ATOM    519  CG2 VAL A  99      39.260  45.781  -6.475  1.00 22.92           C  
-ATOM    520  N   PRO A 100      38.673  48.810  -4.077  1.00 17.14           N  
-ATOM    521  CA  PRO A 100      38.123  49.424  -2.868  1.00 13.11           C  
-ATOM    522  C   PRO A 100      37.884  48.385  -1.789  1.00 14.01           C  
-ATOM    523  O   PRO A 100      37.735  47.198  -2.111  1.00 21.64           O  
-ATOM    524  CB  PRO A 100      36.804  50.022  -3.329  1.00 14.48           C  
-ATOM    525  CG  PRO A 100      36.486  49.441  -4.671  1.00 14.99           C  
-ATOM    526  CD  PRO A 100      37.676  48.675  -5.152  1.00 15.32           C  
-ATOM    527  N   LYS A 101      37.707  48.806  -0.551  1.00 12.90           N  
-ATOM    528  CA  LYS A 101      37.192  47.863   0.465  1.00 12.42           C  
-ATOM    529  C   LYS A 101      35.796  47.432   0.032  1.00 15.43           C  
-ATOM    530  O   LYS A 101      35.125  48.105  -0.762  1.00 19.37           O  
-ATOM    531  CB  LYS A 101      37.118  48.554   1.814  1.00 15.12           C  
-ATOM    532  CG  LYS A 101      38.159  49.658   2.016  1.00 22.34           C  
-ATOM    533  CD  LYS A 101      38.914  49.441   3.321  1.00 33.28           C  
-ATOM    534  CE  LYS A 101      39.160  50.763   4.027  1.00 42.76           C  
-ATOM    535  NZ  LYS A 101      39.152  50.586   5.504  1.00 44.49           N  
-ATOM    536  N   PRO A 102      35.346  46.287   0.530  1.00 16.38           N  
-ATOM    537  CA  PRO A 102      33.919  45.921   0.338  1.00 16.56           C  
-ATOM    538  C   PRO A 102      33.052  46.995   0.991  1.00 17.65           C  
-ATOM    539  O   PRO A 102      33.432  47.426   2.102  1.00 21.43           O  
-ATOM    540  CB  PRO A 102      33.798  44.579   1.025  1.00 10.49           C  
-ATOM    541  CG  PRO A 102      35.065  44.295   1.752  1.00  8.18           C  
-ATOM    542  CD  PRO A 102      35.929  45.535   1.660  1.00 16.55           C  
-ATOM    543  N   CYS A 103      31.811  47.123   0.546  1.00 17.51           N  
-ATOM    544  CA  CYS A 103      30.818  47.991   1.167  1.00 16.82           C  
-ATOM    545  C   CYS A 103      29.997  47.313   2.233  1.00 12.98           C  
-ATOM    546  O   CYS A 103      29.528  46.197   2.009  1.00 14.05           O  
-ATOM    547  CB  CYS A 103      30.041  48.908   0.284  1.00 25.06           C  
-ATOM    548  SG  CYS A 103      28.672  48.283  -0.688  1.00 38.61           S  
-ATOM    549  N   CYS A 104      29.695  48.023   3.289  1.00 13.35           N  
-ATOM    550  CA  CYS A 104      28.776  47.579   4.364  1.00 15.26           C  
-ATOM    551  C   CYS A 104      27.317  47.619   3.931  1.00 17.77           C  
-ATOM    552  O   CYS A 104      26.710  48.691   3.832  1.00 20.74           O  
-ATOM    553  CB  CYS A 104      29.057  48.452   5.563  1.00 13.99           C  
-ATOM    554  SG  CYS A 104      28.079  48.154   7.027  1.00 27.20           S  
-ATOM    555  N   ALA A 105      26.753  46.495   3.543  1.00 18.95           N  
-ATOM    556  CA  ALA A 105      25.393  46.331   3.057  1.00 18.57           C  
-ATOM    557  C   ALA A 105      24.600  45.383   3.942  1.00 21.50           C  
-ATOM    558  O   ALA A 105      25.190  44.660   4.766  1.00 25.36           O  
-ATOM    559  CB  ALA A 105      25.354  45.873   1.611  1.00 18.71           C  
-ATOM    560  N   PRO A 106      23.282  45.476   3.815  1.00 22.88           N  
-ATOM    561  CA  PRO A 106      22.371  44.645   4.642  1.00 22.22           C  
-ATOM    562  C   PRO A 106      22.383  43.216   4.103  1.00 18.68           C  
-ATOM    563  O   PRO A 106      22.481  43.008   2.879  1.00 16.24           O  
-ATOM    564  CB  PRO A 106      21.023  45.338   4.471  1.00 24.91           C  
-ATOM    565  CG  PRO A 106      21.090  45.955   3.102  1.00 25.85           C  
-ATOM    566  CD  PRO A 106      22.538  46.371   2.924  1.00 23.45           C  
-ATOM    567  N   THR A 107      22.450  42.288   5.028  1.00 18.27           N  
-ATOM    568  CA  THR A 107      22.635  40.862   4.722  1.00 22.61           C  
-ATOM    569  C   THR A 107      21.293  40.130   4.822  1.00 30.96           C  
-ATOM    570  O   THR A 107      20.986  39.247   3.984  1.00 36.96           O  
-ATOM    571  CB  THR A 107      23.714  40.218   5.688  1.00 15.40           C  
-ATOM    572  OG1 THR A 107      23.160  40.406   7.040  1.00 21.73           O  
-ATOM    573  CG2 THR A 107      25.076  40.943   5.617  1.00 20.66           C  
-ATOM    574  N   GLN A 108      20.433  40.624   5.699  1.00 31.16           N  
-ATOM    575  CA  GLN A 108      19.060  40.144   5.832  1.00 29.57           C  
-ATOM    576  C   GLN A 108      18.027  41.256   5.960  1.00 26.98           C  
-ATOM    577  O   GLN A 108      18.083  42.123   6.848  1.00 24.57           O  
-ATOM    578  CB  GLN A 108      18.925  39.077   6.902  1.00 35.77           C  
-ATOM    579  CG  GLN A 108      19.519  39.484   8.241  1.00 50.12           C  
-ATOM    580  CD  GLN A 108      19.379  38.362   9.253  1.00 63.57           C  
-ATOM    581  OE1 GLN A 108      18.290  38.097   9.763  1.00 65.52           O  
-ATOM    582  NE2 GLN A 108      20.478  37.625   9.404  1.00 66.60           N  
-ATOM    583  N   LEU A 109      16.963  41.074   5.197  1.00 27.07           N  
-ATOM    584  CA  LEU A 109      15.784  41.933   5.145  1.00 26.22           C  
-ATOM    585  C   LEU A 109      14.513  41.205   5.622  1.00 29.91           C  
-ATOM    586  O   LEU A 109      14.085  40.223   4.986  1.00 34.08           O  
-ATOM    587  CB  LEU A 109      15.619  42.370   3.666  1.00 14.99           C  
-ATOM    588  CG  LEU A 109      16.752  43.270   3.185  1.00  9.38           C  
-ATOM    589  CD1 LEU A 109      16.534  43.599   1.714  1.00 10.27           C  
-ATOM    590  CD2 LEU A 109      16.700  44.530   4.063  1.00  4.59           C  
-ATOM    591  N   ASN A 110      13.699  42.007   6.282  1.00 30.25           N  
-ATOM    592  CA  ASN A 110      12.371  41.628   6.787  1.00 28.96           C  
-ATOM    593  C   ASN A 110      11.310  42.497   6.098  1.00 26.32           C  
-ATOM    594  O   ASN A 110      11.515  43.699   5.898  1.00 25.33           O  
-ATOM    595  CB  ASN A 110      12.401  41.807   8.309  1.00 35.39           C  
-ATOM    596  CG  ASN A 110      12.078  40.532   9.059  1.00 48.61           C  
-ATOM    597  OD1 ASN A 110      11.066  40.475   9.782  1.00 57.74           O  
-ATOM    598  ND2 ASN A 110      12.873  39.489   8.818  1.00 55.47           N  
-ATOM    599  N   ALA A 111      10.212  41.856   5.735  1.00 25.50           N  
-ATOM    600  CA  ALA A 111       9.042  42.522   5.139  1.00 20.70           C  
-ATOM    601  C   ALA A 111       8.241  43.229   6.238  1.00 18.22           C  
-ATOM    602  O   ALA A 111       8.496  43.083   7.444  1.00 15.83           O  
-ATOM    603  CB  ALA A 111       8.148  41.573   4.353  1.00  8.03           C  
-ATOM    604  N   ILE A 112       7.404  44.129   5.744  1.00 19.91           N  
-ATOM    605  CA  ILE A 112       6.428  44.810   6.597  1.00 20.73           C  
-ATOM    606  C   ILE A 112       5.030  44.718   5.983  1.00 18.11           C  
-ATOM    607  O   ILE A 112       4.876  44.358   4.803  1.00 14.36           O  
-ATOM    608  CB  ILE A 112       6.854  46.236   7.024  1.00 24.35           C  
-ATOM    609  CG1 ILE A 112       6.654  47.278   5.904  1.00 24.16           C  
-ATOM    610  CG2 ILE A 112       8.211  46.352   7.742  1.00 23.25           C  
-ATOM    611  CD1 ILE A 112       6.213  48.662   6.469  1.00 24.47           C  
-ATOM    612  N   SER A 113       4.068  44.926   6.865  1.00 19.29           N  
-ATOM    613  CA  SER A 113       2.650  45.003   6.487  1.00 19.90           C  
-ATOM    614  C   SER A 113       2.082  46.356   6.916  1.00 18.93           C  
-ATOM    615  O   SER A 113       2.328  46.850   8.026  1.00 18.00           O  
-ATOM    616  CB  SER A 113       1.849  43.854   7.064  1.00 20.14           C  
-ATOM    617  OG  SER A 113       2.724  42.846   7.578  1.00 30.27           O  
-ATOM    618  N   VAL A 114       1.476  47.008   5.937  1.00 18.05           N  
-ATOM    619  CA  VAL A 114       0.729  48.258   6.205  1.00 17.80           C  
-ATOM    620  C   VAL A 114      -0.727  47.978   5.798  1.00 19.78           C  
-ATOM    621  O   VAL A 114      -0.955  47.322   4.760  1.00 19.56           O  
-ATOM    622  CB  VAL A 114       1.378  49.387   5.366  1.00 14.56           C  
-ATOM    623  CG1 VAL A 114       2.899  49.250   5.334  1.00 17.17           C  
-ATOM    624  CG2 VAL A 114       0.844  49.358   3.947  1.00  2.49           C  
-ATOM    625  N   LEU A 115      -1.633  48.538   6.573  1.00 20.16           N  
-ATOM    626  CA  LEU A 115      -3.080  48.504   6.231  1.00 20.66           C  
-ATOM    627  C   LEU A 115      -3.468  49.841   5.600  1.00 23.00           C  
-ATOM    628  O   LEU A 115      -3.305  50.888   6.249  1.00 24.93           O  
-ATOM    629  CB  LEU A 115      -3.808  48.244   7.556  1.00 19.26           C  
-ATOM    630  CG  LEU A 115      -5.322  48.331   7.556  1.00 14.33           C  
-ATOM    631  CD1 LEU A 115      -5.896  46.998   7.098  1.00 19.38           C  
-ATOM    632  CD2 LEU A 115      -5.800  48.682   8.964  1.00  9.64           C  
-ATOM    633  N   TYR A 116      -4.036  49.779   4.405  1.00 24.66           N  
-ATOM    634  CA  TYR A 116      -4.425  51.017   3.712  1.00 26.83           C  
-ATOM    635  C   TYR A 116      -5.743  50.899   2.950  1.00 26.07           C  
-ATOM    636  O   TYR A 116      -6.250  49.810   2.664  1.00 21.81           O  
-ATOM    637  CB  TYR A 116      -3.298  51.438   2.739  1.00 29.04           C  
-ATOM    638  CG  TYR A 116      -3.140  50.439   1.613  1.00 34.81           C  
-ATOM    639  CD1 TYR A 116      -2.688  49.146   1.872  1.00 34.28           C  
-ATOM    640  CD2 TYR A 116      -3.607  50.729   0.339  1.00 38.17           C  
-ATOM    641  CE1 TYR A 116      -2.530  48.227   0.836  1.00 40.45           C  
-ATOM    642  CE2 TYR A 116      -3.572  49.777  -0.677  1.00 45.17           C  
-ATOM    643  CZ  TYR A 116      -3.037  48.520  -0.426  1.00 45.80           C  
-ATOM    644  OH  TYR A 116      -2.883  47.659  -1.482  1.00 44.23           O  
-ATOM    645  N   PHE A 117      -6.213  52.069   2.548  1.00 27.60           N  
-ATOM    646  CA  PHE A 117      -7.414  52.239   1.728  1.00 30.49           C  
-ATOM    647  C   PHE A 117      -6.970  52.200   0.256  1.00 32.71           C  
-ATOM    648  O   PHE A 117      -6.574  53.275  -0.227  1.00 32.67           O  
-ATOM    649  CB  PHE A 117      -8.100  53.586   1.977  1.00 36.04           C  
-ATOM    650  CG  PHE A 117      -8.507  53.898   3.379  1.00 51.40           C  
-ATOM    651  CD1 PHE A 117      -9.390  53.060   4.062  1.00 57.66           C  
-ATOM    652  CD2 PHE A 117      -8.077  55.072   3.996  1.00 60.32           C  
-ATOM    653  CE1 PHE A 117      -9.808  53.355   5.351  1.00 63.37           C  
-ATOM    654  CE2 PHE A 117      -8.456  55.383   5.305  1.00 65.33           C  
-ATOM    655  CZ  PHE A 117      -9.334  54.511   5.973  1.00 68.45           C  
-ATOM    656  N   ASP A 118      -7.238  51.097  -0.411  1.00 36.91           N  
-ATOM    657  CA  ASP A 118      -7.060  51.106  -1.887  1.00 43.09           C  
-ATOM    658  C   ASP A 118      -8.146  52.047  -2.432  1.00 47.08           C  
-ATOM    659  O   ASP A 118      -8.891  52.643  -1.640  1.00 46.90           O  
-ATOM    660  CB  ASP A 118      -7.124  49.714  -2.484  1.00 47.40           C  
-ATOM    661  CG  ASP A 118      -8.542  49.263  -2.796  1.00 50.88           C  
-ATOM    662  OD1 ASP A 118      -9.371  49.144  -1.876  1.00 51.77           O  
-ATOM    663  OD2 ASP A 118      -8.823  49.095  -4.003  1.00 54.87           O  
-ATOM    664  N   ASP A 119      -8.154  52.150  -3.747  1.00 51.43           N  
-ATOM    665  CA  ASP A 119      -9.304  52.802  -4.431  1.00 56.88           C  
-ATOM    666  C   ASP A 119     -10.557  52.081  -3.886  1.00 57.45           C  
-ATOM    667  O   ASP A 119     -10.430  51.104  -3.123  1.00 57.61           O  
-ATOM    668  CB  ASP A 119      -9.139  52.598  -5.938  1.00 66.59           C  
-ATOM    669  CG  ASP A 119      -8.454  53.751  -6.645  1.00 77.82           C  
-ATOM    670  OD1 ASP A 119      -8.966  54.887  -6.645  1.00 82.42           O  
-ATOM    671  OD2 ASP A 119      -7.457  53.454  -7.345  1.00 84.74           O  
-ATOM    672  N   SER A 120     -11.704  52.504  -4.397  1.00 54.46           N  
-ATOM    673  CA  SER A 120     -12.948  51.743  -4.130  1.00 48.80           C  
-ATOM    674  C   SER A 120     -13.311  51.878  -2.650  1.00 43.57           C  
-ATOM    675  O   SER A 120     -14.451  51.585  -2.255  1.00 45.34           O  
-ATOM    676  CB  SER A 120     -12.726  50.271  -4.464  1.00 51.25           C  
-ATOM    677  OG  SER A 120     -12.065  50.072  -5.698  1.00 52.23           O  
-ATOM    678  N   SER A 121     -12.304  52.165  -1.853  1.00 38.43           N  
-ATOM    679  CA  SER A 121     -12.442  52.395  -0.416  1.00 35.47           C  
-ATOM    680  C   SER A 121     -12.539  51.078   0.352  1.00 31.96           C  
-ATOM    681  O   SER A 121     -12.985  51.078   1.512  1.00 29.64           O  
-ATOM    682  CB  SER A 121     -13.557  53.340  -0.043  1.00 38.89           C  
-ATOM    683  OG  SER A 121     -14.173  53.915  -1.187  1.00 47.45           O  
-ATOM    684  N   ASN A 122     -11.912  50.072  -0.228  1.00 30.58           N  
-ATOM    685  CA  ASN A 122     -11.626  48.798   0.466  1.00 29.10           C  
-ATOM    686  C   ASN A 122     -10.424  49.054   1.380  1.00 26.09           C  
-ATOM    687  O   ASN A 122      -9.499  49.765   0.959  1.00 28.61           O  
-ATOM    688  CB  ASN A 122     -11.392  47.673  -0.553  1.00 32.40           C  
-ATOM    689  CG  ASN A 122     -12.325  47.773  -1.749  1.00 34.18           C  
-ATOM    690  OD1 ASN A 122     -13.094  48.742  -1.866  1.00 36.92           O  
-ATOM    691  ND2 ASN A 122     -12.146  46.923  -2.751  1.00 34.33           N  
-ATOM    692  N   VAL A 123     -10.541  48.661   2.627  1.00 23.84           N  
-ATOM    693  CA  VAL A 123      -9.415  48.681   3.572  1.00 22.89           C  
-ATOM    694  C   VAL A 123      -8.556  47.422   3.350  1.00 23.57           C  
-ATOM    695  O   VAL A 123      -8.958  46.390   3.928  1.00 25.25           O  
-ATOM    696  CB  VAL A 123      -9.964  48.658   5.022  1.00 18.44           C  
-ATOM    697  CG1 VAL A 123      -8.910  48.029   5.946  1.00 23.87           C  
-ATOM    698  CG2 VAL A 123     -10.326  50.050   5.502  1.00 17.15           C  
-ATOM    699  N   ILE A 124      -7.319  47.583   2.909  1.00 23.05           N  
-ATOM    700  CA  ILE A 124      -6.451  46.442   2.667  1.00 21.31           C  
-ATOM    701  C   ILE A 124      -5.214  46.234   3.496  1.00 22.16           C  
-ATOM    702  O   ILE A 124      -4.752  47.122   4.248  1.00 23.02           O  
-ATOM    703  CB  ILE A 124      -6.281  46.176   1.150  1.00 16.04           C  
-ATOM    704  CG1 ILE A 124      -4.861  45.620   0.900  1.00 26.48           C  
-ATOM    705  CG2 ILE A 124      -6.608  47.402   0.289  1.00 19.84           C  
-ATOM    706  CD1 ILE A 124      -4.602  45.323  -0.610  1.00 39.18           C  
-ATOM    707  N   LEU A 125      -4.703  44.992   3.447  1.00 22.13           N  
-ATOM    708  CA  LEU A 125      -3.429  44.642   4.121  1.00 21.80           C  
-ATOM    709  C   LEU A 125      -2.394  44.192   3.070  1.00 25.43           C  
-ATOM    710  O   LEU A 125      -2.557  43.079   2.534  1.00 25.55           O  
-ATOM    711  CB  LEU A 125      -3.701  43.486   5.092  1.00 16.75           C  
-ATOM    712  CG  LEU A 125      -2.577  43.108   6.036  1.00  6.46           C  
-ATOM    713  CD1 LEU A 125      -2.490  44.145   7.167  1.00  8.88           C  
-ATOM    714  CD2 LEU A 125      -2.967  41.793   6.736  1.00 13.85           C  
-ATOM    715  N   LYS A 126      -1.344  44.993   2.935  1.00 25.70           N  
-ATOM    716  CA  LYS A 126      -0.196  44.667   2.095  1.00 24.38           C  
-ATOM    717  C   LYS A 126       1.045  44.360   2.932  1.00 23.91           C  
-ATOM    718  O   LYS A 126       1.365  45.008   3.936  1.00 20.74           O  
-ATOM    719  CB  LYS A 126       0.167  45.665   1.031  1.00 26.24           C  
-ATOM    720  CG  LYS A 126      -0.948  46.102   0.095  1.00 41.82           C  
-ATOM    721  CD  LYS A 126      -0.445  46.415  -1.308  1.00 49.66           C  
-ATOM    722  CE  LYS A 126       0.998  46.007  -1.524  1.00 59.33           C  
-ATOM    723  NZ  LYS A 126       1.107  44.552  -1.819  1.00 64.83           N  
-ATOM    724  N   LYS A 127       1.769  43.378   2.415  1.00 28.95           N  
-ATOM    725  CA  LYS A 127       3.094  42.990   2.943  1.00 29.58           C  
-ATOM    726  C   LYS A 127       4.125  43.476   1.911  1.00 27.49           C  
-ATOM    727  O   LYS A 127       3.975  43.121   0.738  1.00 25.74           O  
-ATOM    728  CB  LYS A 127       3.245  41.474   3.031  1.00 31.16           C  
-ATOM    729  CG  LYS A 127       4.647  41.009   3.420  1.00 35.17           C  
-ATOM    730  CD  LYS A 127       4.611  40.141   4.672  1.00 42.41           C  
-ATOM    731  CE  LYS A 127       5.282  38.799   4.469  1.00 47.07           C  
-ATOM    732  NZ  LYS A 127       5.180  38.364   3.046  1.00 48.84           N  
-ATOM    733  N   TYR A 128       4.873  44.474   2.313  1.00 27.99           N  
-ATOM    734  CA  TYR A 128       6.023  44.955   1.509  1.00 27.18           C  
-ATOM    735  C   TYR A 128       7.232  44.171   2.054  1.00 26.63           C  
-ATOM    736  O   TYR A 128       7.318  43.972   3.280  1.00 25.16           O  
-ATOM    737  CB  TYR A 128       6.240  46.465   1.804  1.00 28.95           C  
-ATOM    738  CG  TYR A 128       5.132  47.308   1.224  1.00 28.00           C  
-ATOM    739  CD1 TYR A 128       4.799  47.159  -0.126  1.00 32.56           C  
-ATOM    740  CD2 TYR A 128       4.297  48.059   2.043  1.00 32.54           C  
-ATOM    741  CE1 TYR A 128       3.689  47.805  -0.667  1.00 36.25           C  
-ATOM    742  CE2 TYR A 128       3.248  48.794   1.493  1.00 35.95           C  
-ATOM    743  CZ  TYR A 128       2.895  48.588   0.165  1.00 41.59           C  
-ATOM    744  OH  TYR A 128       1.753  49.177  -0.308  1.00 50.27           O  
-ATOM    745  N   ARG A 129       7.904  43.525   1.130  1.00 28.63           N  
-ATOM    746  CA  ARG A 129       9.033  42.660   1.525  1.00 33.60           C  
-ATOM    747  C   ARG A 129      10.317  43.478   1.375  1.00 30.38           C  
-ATOM    748  O   ARG A 129      10.297  44.535   0.709  1.00 27.72           O  
-ATOM    749  CB  ARG A 129       9.044  41.357   0.740  1.00 46.64           C  
-ATOM    750  CG  ARG A 129       8.615  40.105   1.505  1.00 59.61           C  
-ATOM    751  CD  ARG A 129       9.611  39.667   2.528  1.00 68.44           C  
-ATOM    752  NE  ARG A 129       9.011  39.090   3.724  1.00 75.83           N  
-ATOM    753  CZ  ARG A 129       9.662  38.423   4.681  1.00 78.45           C  
-ATOM    754  NH1 ARG A 129      10.866  37.882   4.490  1.00 79.45           N  
-ATOM    755  NH2 ARG A 129       9.111  38.290   5.894  1.00 73.27           N  
-ATOM    756  N   ASN A 130      11.256  43.169   2.260  1.00 27.91           N  
-ATOM    757  CA  ASN A 130      12.623  43.706   2.159  1.00 24.66           C  
-ATOM    758  C   ASN A 130      12.632  45.188   2.529  1.00 24.12           C  
-ATOM    759  O   ASN A 130      13.240  45.965   1.785  1.00 26.26           O  
-ATOM    760  CB  ASN A 130      13.149  43.510   0.730  1.00 23.00           C  
-ATOM    761  CG  ASN A 130      13.562  42.075   0.458  1.00 23.98           C  
-ATOM    762  OD1 ASN A 130      13.961  41.366   1.393  1.00 26.78           O  
-ATOM    763  ND2 ASN A 130      13.358  41.625  -0.775  1.00 20.78           N  
-ATOM    764  N   MET A 131      11.923  45.534   3.575  1.00 22.76           N  
-ATOM    765  CA  MET A 131      11.707  46.924   3.975  1.00 20.20           C  
-ATOM    766  C   MET A 131      12.576  47.249   5.181  1.00 23.14           C  
-ATOM    767  O   MET A 131      13.156  48.353   5.214  1.00 30.66           O  
-ATOM    768  CB  MET A 131      10.245  47.245   4.217  1.00 19.18           C  
-ATOM    769  CG  MET A 131       9.393  47.144   2.996  1.00 11.13           C  
-ATOM    770  SD  MET A 131       9.728  48.613   1.954  1.00 18.22           S  
-ATOM    771  CE  MET A 131       8.938  49.872   2.971  1.00 13.08           C  
-ATOM    772  N   VAL A 132      12.600  46.348   6.135  1.00 19.76           N  
-ATOM    773  CA  VAL A 132      13.466  46.469   7.320  1.00 18.83           C  
-ATOM    774  C   VAL A 132      14.816  45.778   7.067  1.00 19.07           C  
-ATOM    775  O   VAL A 132      14.898  44.627   6.607  1.00 19.40           O  
-ATOM    776  CB  VAL A 132      12.762  45.814   8.537  1.00 18.29           C  
-ATOM    777  CG1 VAL A 132      13.409  46.214   9.856  1.00 14.60           C  
-ATOM    778  CG2 VAL A 132      11.271  46.073   8.545  1.00 23.30           C  
-ATOM    779  N   VAL A 133      15.844  46.389   7.636  1.00 20.93           N  
-ATOM    780  CA  VAL A 133      17.185  45.761   7.663  1.00 17.59           C  
-ATOM    781  C   VAL A 133      17.258  45.087   9.047  1.00 20.35           C  
-ATOM    782  O   VAL A 133      17.196  45.843  10.022  1.00 20.23           O  
-ATOM    783  CB  VAL A 133      18.309  46.811   7.534  1.00 11.45           C  
-ATOM    784  CG1 VAL A 133      19.438  46.515   8.506  1.00  9.32           C  
-ATOM    785  CG2 VAL A 133      18.838  46.925   6.122  1.00  6.03           C  
-ATOM    786  N   ARG A 134      17.660  43.836   9.014  1.00 23.54           N  
-ATOM    787  CA  ARG A 134      17.798  43.015  10.225  1.00 23.02           C  
-ATOM    788  C   ARG A 134      19.256  42.941  10.660  1.00 21.02           C  
-ATOM    789  O   ARG A 134      19.581  42.899  11.853  1.00 17.59           O  
-ATOM    790  CB  ARG A 134      17.261  41.608   9.947  1.00 26.61           C  
-ATOM    791  CG  ARG A 134      16.509  41.001  11.121  1.00 43.62           C  
-ATOM    792  CD  ARG A 134      16.418  41.965  12.269  1.00 50.11           C  
-ATOM    793  NE  ARG A 134      15.031  41.993  12.764  1.00 58.58           N  
-ATOM    794  CZ  ARG A 134      14.081  41.365  12.043  1.00 64.35           C  
-ATOM    795  NH1 ARG A 134      14.121  41.374  10.706  1.00 58.53           N  
-ATOM    796  NH2 ARG A 134      13.295  40.485  12.669  1.00 69.85           N  
-ATOM    797  N   ALA A 135      20.109  42.900   9.649  1.00 22.39           N  
-ATOM    798  CA  ALA A 135      21.553  42.747   9.841  1.00 21.32           C  
-ATOM    799  C   ALA A 135      22.337  43.237   8.630  1.00 21.32           C  
-ATOM    800  O   ALA A 135      22.054  42.945   7.464  1.00 18.05           O  
-ATOM    801  CB  ALA A 135      21.935  41.318  10.166  1.00 22.73           C  
-ATOM    802  N   CYS A 136      23.465  43.805   9.015  1.00 22.35           N  
-ATOM    803  CA  CYS A 136      24.447  44.383   8.055  1.00 19.21           C  
-ATOM    804  C   CYS A 136      25.650  43.422   8.005  1.00 18.18           C  
-ATOM    805  O   CYS A 136      25.988  42.846   9.073  1.00 19.10           O  
-ATOM    806  CB  CYS A 136      24.891  45.702   8.740  1.00 21.68           C  
-ATOM    807  SG  CYS A 136      23.554  46.942   8.691  1.00 11.77           S  
-ATOM    808  N   GLY A 137      26.453  43.587   6.956  1.00 12.19           N  
-ATOM    809  CA  GLY A 137      27.826  43.055   7.040  1.00 11.92           C  
-ATOM    810  C   GLY A 137      28.609  43.304   5.779  1.00 15.75           C  
-ATOM    811  O   GLY A 137      28.029  43.576   4.712  1.00 20.73           O  
-ATOM    812  N   CYS A 138      29.877  42.922   5.857  1.00 15.77           N  
-ATOM    813  CA  CYS A 138      30.840  43.213   4.753  1.00 16.87           C  
-ATOM    814  C   CYS A 138      30.751  42.134   3.697  1.00 19.28           C  
-ATOM    815  O   CYS A 138      30.714  40.964   4.091  1.00 22.74           O  
-ATOM    816  CB  CYS A 138      32.217  43.298   5.395  1.00 10.01           C  
-ATOM    817  SG  CYS A 138      32.277  44.708   6.566  1.00 17.78           S  
-ATOM    818  N   HIS A 139      30.408  42.465   2.478  1.00 23.96           N  
-ATOM    819  CA  HIS A 139      30.066  41.451   1.467  1.00 27.70           C  
-ATOM    820  C   HIS A 139      30.729  41.780   0.129  1.00 32.30           C  
-ATOM    821  O   HIS A 139      30.804  42.995  -0.208  1.00 31.27           O  
-ATOM    822  CB  HIS A 139      28.542  41.320   1.238  1.00 33.33           C  
-ATOM    823  CG  HIS A 139      27.884  40.315   2.128  1.00 41.24           C  
-ATOM    824  ND1 HIS A 139      27.557  39.037   1.739  1.00 44.78           N  
-ATOM    825  CD2 HIS A 139      27.493  40.420   3.425  1.00 44.19           C  
-ATOM    826  CE1 HIS A 139      27.036  38.388   2.770  1.00 45.54           C  
-ATOM    827  NE2 HIS A 139      27.078  39.168   3.821  1.00 45.97           N  
-ATOM    828  OXT HIS A 139      31.051  40.778  -0.540  1.00 40.60           O  

Deleted: SwiftApps/modFTDock/input/1j55-1.pdb
===================================================================
--- SwiftApps/modFTDock/input/1j55-1.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/1j55-1.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,673 +0,0 @@
-ATOM      1  N   MET A   1      39.796  31.203   2.745  1.00 26.79           N  
-ATOM      2  CA  MET A   1      38.534  31.636   3.370  1.00 23.59           C  
-ATOM      3  C   MET A   1      38.930  32.140   4.752  1.00 22.12           C  
-ATOM      4  O   MET A   1      39.698  31.473   5.447  1.00 21.74           O  
-ATOM      5  CB  MET A   1      37.582  30.436   3.439  1.00 26.89           C  
-ATOM      6  CG  MET A   1      36.191  30.710   3.899  1.00 29.88           C  
-ATOM      7  SD  MET A   1      34.984  29.588   3.050  1.00 31.85           S  
-ATOM      8  CE  MET A   1      33.758  30.787   2.636  1.00 32.88           C  
-ATOM      9  N   THR A   2      38.413  33.316   5.133  1.00 20.27           N  
-ATOM     10  CA  THR A   2      38.715  33.931   6.416  1.00 18.53           C  
-ATOM     11  C   THR A   2      37.875  33.320   7.506  1.00 17.89           C  
-ATOM     12  O   THR A   2      36.958  32.574   7.220  1.00 16.97           O  
-ATOM     13  CB  THR A   2      38.422  35.426   6.432  1.00 18.11           C  
-ATOM     14  OG1 THR A   2      37.023  35.635   6.234  1.00 19.29           O  
-ATOM     15  CG2 THR A   2      39.205  36.141   5.328  1.00 16.01           C  
-ATOM     16  N   GLU A   3      38.154  33.679   8.759  1.00 16.89           N  
-ATOM     17  CA  GLU A   3      37.353  33.132   9.840  1.00 17.05           C  
-ATOM     18  C   GLU A   3      35.904  33.590   9.754  1.00 14.63           C  
-ATOM     19  O   GLU A   3      34.983  32.794   9.920  1.00 15.71           O  
-ATOM     20  CB  GLU A   3      37.939  33.475  11.237  1.00 15.12           C  
-ATOM     21  CG  GLU A   3      37.127  32.826  12.398  1.00 16.26           C  
-ATOM     22  CD  GLU A   3      37.632  33.201  13.782  1.00 18.35           C  
-ATOM     23  OE1 GLU A   3      38.620  33.951  13.853  1.00 18.34           O  
-ATOM     24  OE2 GLU A   3      37.042  32.751  14.797  1.00 19.66           O  
-ATOM     25  N   LEU A   4      35.704  34.868   9.474  1.00 15.92           N  
-ATOM     26  CA  LEU A   4      34.350  35.420   9.410  1.00 16.55           C  
-ATOM     27  C   LEU A   4      33.593  34.889   8.176  1.00 17.82           C  
-ATOM     28  O   LEU A   4      32.411  34.611   8.269  1.00 18.20           O  
-ATOM     29  CB  LEU A   4      34.423  36.962   9.389  1.00 14.48           C  
-ATOM     30  CG  LEU A   4      33.069  37.686   9.349  1.00 16.77           C  
-ATOM     31  CD1 LEU A   4      32.218  37.241  10.552  1.00 15.69           C  
-ATOM     32  CD2 LEU A   4      33.304  39.190   9.350  1.00 13.05           C  
-ATOM     33  N   GLU A   5      34.259  34.770   7.019  1.00 18.19           N  
-ATOM     34  CA  GLU A   5      33.569  34.218   5.843  1.00 18.96           C  
-ATOM     35  C   GLU A   5      33.168  32.755   6.126  1.00 17.70           C  
-ATOM     36  O   GLU A   5      32.099  32.287   5.720  1.00 18.58           O  
-ATOM     37  CB  GLU A   5      34.471  34.268   4.604  1.00 19.90           C  
-ATOM     38  CG  GLU A   5      34.718  35.662   4.082  1.00 19.69           C  
-ATOM     39  CD  GLU A   5      35.849  35.750   3.102  1.00 22.13           C  
-ATOM     40  OE1 GLU A   5      36.819  34.965   3.216  1.00 23.31           O  
-ATOM     41  OE2 GLU A   5      35.802  36.638   2.228  1.00 24.27           O  
-ATOM     42  N   THR A   6      34.021  32.051   6.854  1.00 17.51           N  
-ATOM     43  CA  THR A   6      33.742  30.649   7.198  1.00 15.03           C  
-ATOM     44  C   THR A   6      32.504  30.566   8.105  1.00 14.77           C  
-ATOM     45  O   THR A   6      31.649  29.658   7.950  1.00 14.28           O  
-ATOM     46  CB  THR A   6      35.011  29.992   7.909  1.00 14.22           C  
-ATOM     47  OG1 THR A   6      36.144  29.972   7.014  1.00 13.43           O  
-ATOM     48  CG2 THR A   6      34.712  28.618   8.336  1.00 14.44           C  
-ATOM     49  N   ALA A   7      32.407  31.489   9.074  1.00 14.29           N  
-ATOM     50  CA  ALA A   7      31.248  31.500   9.982  1.00 14.53           C  
-ATOM     51  C   ALA A   7      29.983  31.752   9.164  1.00 13.34           C  
-ATOM     52  O   ALA A   7      28.978  31.090   9.361  1.00 15.13           O  
-ATOM     53  CB  ALA A   7      31.380  32.606  11.113  1.00 13.86           C  
-ATOM     54  N   MET A   8      30.038  32.701   8.243  1.00 12.54           N  
-ATOM     55  CA  MET A   8      28.881  32.975   7.399  1.00 15.52           C  
-ATOM     56  C   MET A   8      28.531  31.736   6.540  1.00 15.98           C  
-ATOM     57  O   MET A   8      27.363  31.414   6.334  1.00 14.17           O  
-ATOM     58  CB  MET A   8      29.185  34.168   6.466  1.00 15.67           C  
-ATOM     59  CG  MET A   8      29.435  35.442   7.205  1.00 17.25           C  
-ATOM     60  SD  MET A   8      30.224  36.670   6.139  1.00 23.61           S  
-ATOM     61  CE  MET A   8      29.146  36.746   4.844  1.00 24.28           C  
-ATOM     62  N   GLY A   9      29.548  31.076   6.005  1.00 14.54           N  
-ATOM     63  CA  GLY A   9      29.266  29.896   5.205  1.00 16.52           C  
-ATOM     64  C   GLY A   9      28.656  28.778   6.055  1.00 16.35           C  
-ATOM     65  O   GLY A   9      27.854  27.950   5.597  1.00 16.65           O  
-ATOM     66  N   MET A  10      29.062  28.747   7.309  1.00 15.73           N  
-ATOM     67  CA  MET A  10      28.573  27.747   8.223  1.00 16.46           C  
-ATOM     68  C   MET A  10      27.080  27.950   8.575  1.00 15.76           C  
-ATOM     69  O   MET A  10      26.341  26.995   8.788  1.00 15.45           O  
-ATOM     70  CB  MET A  10      29.453  27.776   9.480  1.00 18.92           C  
-ATOM     71  CG  MET A  10      29.450  26.520  10.302  1.00 19.55           C  
-ATOM     72  SD  MET A  10      30.816  26.627  11.582  1.00 27.36           S  
-ATOM     73  CE  MET A  10      32.117  27.043  10.608  1.00 15.81           C  
-ATOM     74  N   ILE A  11      26.628  29.189   8.656  1.00 15.04           N  
-ATOM     75  CA  ILE A  11      25.207  29.409   8.970  1.00 14.55           C  
-ATOM     76  C   ILE A  11      24.399  28.993   7.739  1.00 13.93           C  
-ATOM     77  O   ILE A  11      23.363  28.330   7.830  1.00 13.18           O  
-ATOM     78  CB  ILE A  11      24.979  30.911   9.317  1.00 15.46           C  
-ATOM     79  CG1 ILE A  11      25.762  31.240  10.589  1.00 16.16           C  
-ATOM     80  CG2 ILE A  11      23.477  31.228   9.556  1.00 13.69           C  
-ATOM     81  CD1 ILE A  11      25.781  32.699  10.884  1.00 19.90           C  
-ATOM     82  N   ILE A  12      24.894  29.354   6.564  1.00 12.81           N  
-ATOM     83  CA  ILE A  12      24.194  28.950   5.365  1.00 14.93           C  
-ATOM     84  C   ILE A  12      24.166  27.417   5.288  1.00 13.44           C  
-ATOM     85  O   ILE A  12      23.143  26.832   4.922  1.00 14.03           O  
-ATOM     86  CB  ILE A  12      24.870  29.542   4.090  1.00 14.22           C  
-ATOM     87  CG1 ILE A  12      24.598  31.054   4.022  1.00 15.90           C  
-ATOM     88  CG2 ILE A  12      24.353  28.825   2.802  1.00 15.97           C  
-ATOM     89  CD1 ILE A  12      25.773  31.817   3.469  1.00 16.81           C  
-ATOM     90  N   ASP A  13      25.278  26.786   5.650  1.00 14.96           N  
-ATOM     91  CA  ASP A  13      25.398  25.309   5.594  1.00 15.21           C  
-ATOM     92  C   ASP A  13      24.336  24.725   6.506  1.00 14.88           C  
-ATOM     93  O   ASP A  13      23.566  23.849   6.090  1.00 14.53           O  
-ATOM     94  CB  ASP A  13      26.798  24.837   6.067  1.00 15.00           C  
-ATOM     95  CG  ASP A  13      26.983  23.335   5.924  1.00 17.72           C  
-ATOM     96  OD1 ASP A  13      26.750  22.836   4.797  1.00 14.71           O  
-ATOM     97  OD2 ASP A  13      27.350  22.668   6.933  1.00 20.49           O  
-ATOM     98  N   VAL A  14      24.291  25.216   7.744  1.00 14.93           N  
-ATOM     99  CA  VAL A  14      23.300  24.716   8.700  1.00 15.13           C  
-ATOM    100  C   VAL A  14      21.911  24.849   8.141  1.00 14.82           C  
-ATOM    101  O   VAL A  14      21.166  23.858   8.091  1.00 16.40           O  
-ATOM    102  CB  VAL A  14      23.385  25.433  10.060  1.00 16.99           C  
-ATOM    103  CG1 VAL A  14      22.176  25.101  10.922  1.00 14.22           C  
-ATOM    104  CG2 VAL A  14      24.667  25.022  10.794  1.00 15.88           C  
-ATOM    105  N   PHE A  15      21.551  26.035   7.674  1.00 13.74           N  
-ATOM    106  CA  PHE A  15      20.208  26.180   7.106  1.00 16.35           C  
-ATOM    107  C   PHE A  15      19.853  25.167   5.991  1.00 16.67           C  
-ATOM    108  O   PHE A  15      18.776  24.538   6.010  1.00 16.99           O  
-ATOM    109  CB  PHE A  15      20.015  27.580   6.570  1.00 16.33           C  
-ATOM    110  CG  PHE A  15      18.642  27.853   6.100  1.00 14.22           C  
-ATOM    111  CD1 PHE A  15      17.686  28.369   6.971  1.00 16.25           C  
-ATOM    112  CD2 PHE A  15      18.323  27.687   4.787  1.00 15.27           C  
-ATOM    113  CE1 PHE A  15      16.409  28.732   6.533  1.00 15.10           C  
-ATOM    114  CE2 PHE A  15      17.058  28.041   4.319  1.00 18.84           C  
-ATOM    115  CZ  PHE A  15      16.084  28.578   5.219  1.00 16.31           C  
-ATOM    116  N   SER A  16      20.760  25.003   5.039  1.00 16.97           N  
-ATOM    117  CA  SER A  16      20.533  24.088   3.927  1.00 19.72           C  
-ATOM    118  C   SER A  16      20.408  22.640   4.365  1.00 18.18           C  
-ATOM    119  O   SER A  16      19.718  21.886   3.706  1.00 17.39           O  
-ATOM    120  CB  SER A  16      21.644  24.180   2.867  1.00 20.55           C  
-ATOM    121  OG  SER A  16      22.783  23.466   3.333  1.00 27.05           O  
-ATOM    122  N   ARG A  17      21.056  22.237   5.461  1.00 19.39           N  
-ATOM    123  CA  ARG A  17      20.930  20.849   5.940  1.00 19.45           C  
-ATOM    124  C   ARG A  17      19.530  20.499   6.463  1.00 18.43           C  
-ATOM    125  O   ARG A  17      19.169  19.316   6.562  1.00 18.84           O  
-ATOM    126  CB  ARG A  17      21.941  20.513   7.063  1.00 20.28           C  
-ATOM    127  CG  ARG A  17      23.448  20.417   6.628  1.00 25.94           C  
-ATOM    128  CD  ARG A  17      24.473  20.357   7.819  1.00 25.97           C  
-ATOM    129  NE  ARG A  17      25.797  20.376   7.232  1.00 31.25           N  
-ATOM    130  CZ  ARG A  17      26.422  19.271   6.809  1.00 34.44           C  
-ATOM    131  NH1 ARG A  17      25.835  18.079   6.956  1.00 32.37           N  
-ATOM    132  NH2 ARG A  17      27.591  19.350   6.158  1.00 34.93           N  
-ATOM    133  N   TYR A  18      18.722  21.491   6.782  1.00 17.73           N  
-ATOM    134  CA  TYR A  18      17.417  21.174   7.337  1.00 18.20           C  
-ATOM    135  C   TYR A  18      16.230  21.665   6.536  1.00 19.71           C  
-ATOM    136  O   TYR A  18      15.112  21.277   6.826  1.00 19.32           O  
-ATOM    137  CB  TYR A  18      17.280  21.741   8.759  1.00 20.12           C  
-ATOM    138  CG  TYR A  18      18.306  21.227   9.719  1.00 18.89           C  
-ATOM    139  CD1 TYR A  18      19.569  21.820   9.795  1.00 18.93           C  
-ATOM    140  CD2 TYR A  18      18.062  20.071  10.485  1.00 20.45           C  
-ATOM    141  CE1 TYR A  18      20.581  21.282  10.604  1.00 20.28           C  
-ATOM    142  CE2 TYR A  18      19.076  19.519  11.309  1.00 20.99           C  
-ATOM    143  CZ  TYR A  18      20.333  20.136  11.355  1.00 21.52           C  
-ATOM    144  OH  TYR A  18      21.329  19.631  12.152  1.00 20.54           O  
-ATOM    145  N   SER A  19      16.468  22.531   5.559  1.00 18.42           N  
-ATOM    146  CA  SER A  19      15.381  23.115   4.803  1.00 20.30           C  
-ATOM    147  C   SER A  19      14.939  22.316   3.601  1.00 19.64           C  
-ATOM    148  O   SER A  19      14.011  22.737   2.939  1.00 19.82           O  
-ATOM    149  CB  SER A  19      15.803  24.508   4.301  1.00 20.83           C  
-ATOM    150  OG  SER A  19      16.957  24.357   3.495  1.00 16.51           O  
-ATOM    151  N   GLY A  20      15.614  21.191   3.340  1.00 19.84           N  
-ATOM    152  CA  GLY A  20      15.318  20.363   2.183  1.00 21.15           C  
-ATOM    153  C   GLY A  20      14.486  19.104   2.362  1.00 22.50           C  
-ATOM    154  O   GLY A  20      14.238  18.408   1.404  1.00 24.16           O  
-ATOM    155  N   SER A  21      14.014  18.799   3.558  1.00 24.54           N  
-ATOM    156  CA  SER A  21      13.247  17.575   3.689  1.00 25.24           C  
-ATOM    157  C   SER A  21      11.757  17.691   3.297  1.00 24.91           C  
-ATOM    158  O   SER A  21      11.105  16.685   3.016  1.00 26.06           O  
-ATOM    159  CB  SER A  21      13.458  16.980   5.105  1.00 27.26           C  
-ATOM    160  OG  SER A  21      13.046  17.847   6.140  1.00 30.83           O  
-ATOM    161  N   GLU A  22      11.202  18.901   3.252  1.00 22.93           N  
-ATOM    162  CA  GLU A  22       9.807  19.030   2.817  1.00 21.30           C  
-ATOM    163  C   GLU A  22       9.481  20.426   2.327  1.00 19.62           C  
-ATOM    164  O   GLU A  22      10.092  21.411   2.756  1.00 14.67           O  
-ATOM    165  CB  GLU A  22       8.801  18.600   3.919  1.00 23.72           C  
-ATOM    166  CG  GLU A  22       8.280  19.704   4.769  1.00 22.89           C  
-ATOM    167  CD  GLU A  22       7.253  19.251   5.816  1.00 27.46           C  
-ATOM    168  OE1 GLU A  22       7.410  19.683   6.982  1.00 22.38           O  
-ATOM    169  OE2 GLU A  22       6.284  18.498   5.494  1.00 26.35           O  
-ATOM    170  N   GLY A  23       8.536  20.479   1.388  1.00 20.42           N  
-ATOM    171  CA  GLY A  23       8.093  21.737   0.791  1.00 19.67           C  
-ATOM    172  C   GLY A  23       9.262  22.430   0.113  1.00 19.52           C  
-ATOM    173  O   GLY A  23      10.163  21.775  -0.363  1.00 18.70           O  
-ATOM    174  N   SER A  24       9.252  23.752   0.087  1.00 19.04           N  
-ATOM    175  CA  SER A  24      10.321  24.490  -0.554  1.00 20.24           C  
-ATOM    176  C   SER A  24      11.672  24.146   0.041  1.00 18.91           C  
-ATOM    177  O   SER A  24      11.803  24.049   1.253  1.00 18.64           O  
-ATOM    178  CB  SER A  24      10.098  25.978  -0.380  1.00 19.88           C  
-ATOM    179  OG  SER A  24      11.294  26.681  -0.704  1.00 21.24           O  
-ATOM    180  N   THR A  25      12.681  23.990  -0.813  1.00 19.21           N  
-ATOM    181  CA  THR A  25      14.060  23.677  -0.364  1.00 19.07           C  
-ATOM    182  C   THR A  25      14.731  24.950   0.155  1.00 18.09           C  
-ATOM    183  O   THR A  25      15.843  24.919   0.656  1.00 16.95           O  
-ATOM    184  CB  THR A  25      14.913  23.125  -1.522  1.00 20.20           C  
-ATOM    185  OG1 THR A  25      14.958  24.112  -2.562  1.00 20.26           O  
-ATOM    186  CG2 THR A  25      14.294  21.792  -2.077  1.00 21.31           C  
-ATOM    187  N   GLN A  26      14.054  26.080   0.028  1.00 16.13           N  
-ATOM    188  CA  GLN A  26      14.616  27.321   0.532  1.00 17.69           C  
-ATOM    189  C   GLN A  26      13.965  27.776   1.864  1.00 16.56           C  
-ATOM    190  O   GLN A  26      14.265  28.871   2.367  1.00 15.73           O  
-ATOM    191  CB  GLN A  26      14.464  28.455  -0.498  1.00 20.52           C  
-ATOM    192  CG  GLN A  26      14.994  28.130  -1.930  1.00 24.59           C  
-ATOM    193  CD  GLN A  26      16.519  28.070  -2.045  1.00 29.94           C  
-ATOM    194  OE1 GLN A  26      17.269  28.323  -1.070  1.00 31.23           O  
-ATOM    195  NE2 GLN A  26      16.993  27.733  -3.248  1.00 30.84           N  
-ATOM    196  N   THR A  27      13.047  26.988   2.419  1.00 15.84           N  
-ATOM    197  CA  THR A  27      12.461  27.425   3.678  1.00 14.23           C  
-ATOM    198  C   THR A  27      12.292  26.282   4.678  1.00 15.99           C  
-ATOM    199  O   THR A  27      12.382  25.096   4.334  1.00 14.51           O  
-ATOM    200  CB  THR A  27      11.057  28.127   3.525  1.00 13.42           C  
-ATOM    201  OG1 THR A  27      10.038  27.148   3.279  1.00 15.56           O  
-ATOM    202  CG2 THR A  27      11.031  29.171   2.444  1.00 13.88           C  
-ATOM    203  N   LEU A  28      12.069  26.661   5.932  1.00 13.28           N  
-ATOM    204  CA  LEU A  28      11.848  25.686   6.998  1.00 14.50           C  
-ATOM    205  C   LEU A  28      10.375  25.652   7.349  1.00 13.78           C  
-ATOM    206  O   LEU A  28       9.786  26.699   7.586  1.00 14.33           O  
-ATOM    207  CB  LEU A  28      12.605  26.086   8.249  1.00 10.60           C  
-ATOM    208  CG  LEU A  28      14.124  26.220   8.105  1.00 15.94           C  
-ATOM    209  CD1 LEU A  28      14.708  26.783   9.409  1.00 15.00           C  
-ATOM    210  CD2 LEU A  28      14.728  24.840   7.855  1.00 13.34           C  
-ATOM    211  N   THR A  29       9.768  24.467   7.358  1.00 15.21           N  
-ATOM    212  CA  THR A  29       8.345  24.357   7.770  1.00 14.63           C  
-ATOM    213  C   THR A  29       8.480  24.198   9.276  1.00 15.08           C  
-ATOM    214  O   THR A  29       9.613  24.190   9.767  1.00 14.04           O  
-ATOM    215  CB  THR A  29       7.705  23.063   7.201  1.00 13.75           C  
-ATOM    216  OG1 THR A  29       8.495  21.939   7.629  1.00 13.49           O  
-ATOM    217  CG2 THR A  29       7.664  23.115   5.613  1.00 15.12           C  
-ATOM    218  N   LYS A  30       7.366  24.028   9.999  1.00 14.08           N  
-ATOM    219  CA  LYS A  30       7.429  23.833  11.465  1.00 15.35           C  
-ATOM    220  C   LYS A  30       8.181  22.529  11.765  1.00 16.04           C  
-ATOM    221  O   LYS A  30       8.975  22.431  12.711  1.00 15.35           O  
-ATOM    222  CB  LYS A  30       5.999  23.772  12.026  1.00 17.70           C  
-ATOM    223  CG  LYS A  30       5.912  23.656  13.538  1.00 23.81           C  
-ATOM    224  CD  LYS A  30       4.630  22.885  13.984  1.00 26.55           C  
-ATOM    225  CE  LYS A  30       3.369  23.629  13.688  1.00 28.23           C  
-ATOM    226  NZ  LYS A  30       2.240  23.080  14.548  1.00 29.90           N  
-ATOM    227  N   GLY A  31       7.976  21.519  10.938  1.00 14.00           N  
-ATOM    228  CA  GLY A  31       8.652  20.245  11.179  1.00 15.05           C  
-ATOM    229  C   GLY A  31      10.157  20.322  11.015  1.00 15.50           C  
-ATOM    230  O   GLY A  31      10.925  19.800  11.848  1.00 15.02           O  
-ATOM    231  N   GLU A  32      10.597  20.986   9.951  1.00 14.88           N  
-ATOM    232  CA  GLU A  32      12.024  21.141   9.705  1.00 15.37           C  
-ATOM    233  C   GLU A  32      12.653  21.997  10.804  1.00 15.87           C  
-ATOM    234  O   GLU A  32      13.760  21.704  11.261  1.00 16.98           O  
-ATOM    235  CB  GLU A  32      12.269  21.785   8.338  1.00 13.93           C  
-ATOM    236  CG  GLU A  32      11.812  20.891   7.177  1.00 16.13           C  
-ATOM    237  CD  GLU A  32      11.880  21.574   5.802  1.00 16.17           C  
-ATOM    238  OE1 GLU A  32      11.400  22.719   5.674  1.00 16.41           O  
-ATOM    239  OE2 GLU A  32      12.382  20.951   4.837  1.00 16.71           O  
-ATOM    240  N   LEU A  33      11.959  23.055  11.217  1.00 15.17           N  
-ATOM    241  CA  LEU A  33      12.446  23.929  12.278  1.00 13.71           C  
-ATOM    242  C   LEU A  33      12.604  23.130  13.588  1.00 16.08           C  
-ATOM    243  O   LEU A  33      13.549  23.324  14.323  1.00 16.28           O  
-ATOM    244  CB  LEU A  33      11.449  25.063  12.524  1.00 13.66           C  
-ATOM    245  CG  LEU A  33      11.822  26.065  13.634  1.00 13.35           C  
-ATOM    246  CD1 LEU A  33      13.177  26.701  13.301  1.00 14.56           C  
-ATOM    247  CD2 LEU A  33      10.735  27.210  13.748  1.00  9.96           C  
-ATOM    248  N   LYS A  34      11.630  22.276  13.909  1.00 16.86           N  
-ATOM    249  CA  LYS A  34      11.730  21.448  15.131  1.00 16.27           C  
-ATOM    250  C   LYS A  34      13.040  20.628  15.103  1.00 15.92           C  
-ATOM    251  O   LYS A  34      13.784  20.592  16.096  1.00 15.31           O  
-ATOM    252  CB  LYS A  34      10.529  20.502  15.218  1.00 16.64           C  
-ATOM    253  CG  LYS A  34      10.573  19.527  16.421  1.00 15.55           C  
-ATOM    254  CD  LYS A  34       9.319  18.602  16.313  1.00 22.19           C  
-ATOM    255  CE  LYS A  34       9.383  17.322  17.192  1.00 21.84           C  
-ATOM    256  NZ  LYS A  34      10.621  16.481  16.896  1.00 26.36           N  
-ATOM    257  N   VAL A  35      13.317  19.971  13.966  1.00 15.50           N  
-ATOM    258  CA  VAL A  35      14.539  19.187  13.821  1.00 15.35           C  
-ATOM    259  C   VAL A  35      15.782  20.087  13.889  1.00 15.32           C  
-ATOM    260  O   VAL A  35      16.726  19.776  14.605  1.00 15.25           O  
-ATOM    261  CB  VAL A  35      14.527  18.386  12.508  1.00 17.87           C  
-ATOM    262  CG1 VAL A  35      15.827  17.574  12.375  1.00 17.42           C  
-ATOM    263  CG2 VAL A  35      13.294  17.462  12.478  1.00 19.37           C  
-ATOM    264  N   LEU A  36      15.797  21.195  13.154  1.00 14.68           N  
-ATOM    265  CA  LEU A  36      16.959  22.116  13.232  1.00 15.35           C  
-ATOM    266  C   LEU A  36      17.214  22.570  14.701  1.00 16.42           C  
-ATOM    267  O   LEU A  36      18.368  22.580  15.186  1.00 15.45           O  
-ATOM    268  CB  LEU A  36      16.726  23.345  12.323  1.00 14.89           C  
-ATOM    269  CG  LEU A  36      17.916  24.318  12.136  1.00 17.45           C  
-ATOM    270  CD1 LEU A  36      17.715  25.238  10.922  1.00 16.06           C  
-ATOM    271  CD2 LEU A  36      18.101  25.162  13.324  1.00 13.72           C  
-ATOM    272  N   MET A  37      16.158  22.940  15.432  1.00 15.99           N  
-ATOM    273  CA  MET A  37      16.361  23.375  16.813  1.00 16.38           C  
-ATOM    274  C   MET A  37      16.898  22.290  17.750  1.00 17.11           C  
-ATOM    275  O   MET A  37      17.805  22.590  18.533  1.00 18.10           O  
-ATOM    276  CB  MET A  37      15.088  23.970  17.420  1.00 15.82           C  
-ATOM    277  CG  MET A  37      14.589  25.252  16.747  1.00 13.97           C  
-ATOM    278  SD  MET A  37      15.763  26.607  16.712  1.00 14.87           S  
-ATOM    279  CE  MET A  37      15.741  27.126  18.597  1.00 14.42           C  
-ATOM    280  N   GLU A  38      16.357  21.060  17.695  1.00 18.49           N  
-ATOM    281  CA  GLU A  38      16.839  19.942  18.560  1.00 19.90           C  
-ATOM    282  C   GLU A  38      18.268  19.560  18.212  1.00 19.83           C  
-ATOM    283  O   GLU A  38      19.065  19.204  19.104  1.00 19.41           O  
-ATOM    284  CB  GLU A  38      15.924  18.672  18.442  1.00 20.94           C  
-ATOM    285  CG  GLU A  38      14.428  18.984  18.713  1.00 25.68           C  
-ATOM    286  CD  GLU A  38      13.391  17.867  18.350  1.00 27.89           C  
-ATOM    287  OE1 GLU A  38      13.634  17.054  17.425  1.00 31.72           O  
-ATOM    288  OE2 GLU A  38      12.290  17.845  18.961  1.00 29.42           O  
-ATOM    289  N   LYS A  39      18.628  19.655  16.929  1.00 18.43           N  
-ATOM    290  CA  LYS A  39      20.000  19.301  16.519  1.00 18.86           C  
-ATOM    291  C   LYS A  39      21.077  20.411  16.610  1.00 18.53           C  
-ATOM    292  O   LYS A  39      22.235  20.114  16.945  1.00 18.29           O  
-ATOM    293  CB  LYS A  39      19.998  18.759  15.090  1.00 20.76           C  
-ATOM    294  CG  LYS A  39      19.562  17.285  14.933  1.00 25.07           C  
-ATOM    295  CD  LYS A  39      20.677  16.366  15.425  1.00 29.51           C  
-ATOM    296  CE  LYS A  39      20.415  14.882  15.143  1.00 31.64           C  
-ATOM    297  NZ  LYS A  39      19.150  14.433  15.786  1.00 31.12           N  
-ATOM    298  N   GLU A  40      20.705  21.673  16.321  1.00 15.10           N  
-ATOM    299  CA  GLU A  40      21.639  22.803  16.312  1.00 14.25           C  
-ATOM    300  C   GLU A  40      21.582  23.760  17.511  1.00 15.09           C  
-ATOM    301  O   GLU A  40      22.599  24.376  17.875  1.00 15.94           O  
-ATOM    302  CB  GLU A  40      21.456  23.615  15.008  1.00 13.11           C  
-ATOM    303  CG  GLU A  40      21.701  22.813  13.770  1.00 14.39           C  
-ATOM    304  CD  GLU A  40      23.162  22.391  13.664  1.00 18.84           C  
-ATOM    305  OE1 GLU A  40      24.030  23.062  14.267  1.00 17.31           O  
-ATOM    306  OE2 GLU A  40      23.437  21.405  12.967  1.00 20.57           O  
-ATOM    307  N   LEU A  41      20.409  23.900  18.108  1.00 14.60           N  
-ATOM    308  CA  LEU A  41      20.259  24.755  19.289  1.00 17.75           C  
-ATOM    309  C   LEU A  41      19.553  23.954  20.376  1.00 17.76           C  
-ATOM    310  O   LEU A  41      18.556  24.410  20.913  1.00 18.26           O  
-ATOM    311  CB  LEU A  41      19.428  26.036  18.950  1.00 15.65           C  
-ATOM    312  CG  LEU A  41      20.161  27.020  18.013  1.00 14.86           C  
-ATOM    313  CD1 LEU A  41      19.312  28.243  17.597  1.00 14.49           C  
-ATOM    314  CD2 LEU A  41      21.354  27.486  18.741  1.00 15.12           C  
-ATOM    315  N   PRO A  42      20.076  22.752  20.719  1.00 20.52           N  
-ATOM    316  CA  PRO A  42      19.432  21.940  21.750  1.00 22.12           C  
-ATOM    317  C   PRO A  42      19.306  22.685  23.058  1.00 23.94           C  
-ATOM    318  O   PRO A  42      20.195  23.460  23.433  1.00 26.37           O  
-ATOM    319  CB  PRO A  42      20.335  20.711  21.867  1.00 21.99           C  
-ATOM    320  CG  PRO A  42      21.659  21.227  21.498  1.00 21.18           C  
-ATOM    321  CD  PRO A  42      21.358  22.144  20.320  1.00 20.76           C  
-ATOM    322  N   GLY A  43      18.179  22.462  23.718  1.00 24.93           N  
-ATOM    323  CA  GLY A  43      17.923  23.087  24.999  1.00 28.35           C  
-ATOM    324  C   GLY A  43      17.365  24.499  24.894  1.00 29.09           C  
-ATOM    325  O   GLY A  43      16.930  25.039  25.894  1.00 29.95           O  
-ATOM    326  N   PHE A  44      17.389  25.105  23.707  1.00 28.40           N  
-ATOM    327  CA  PHE A  44      16.873  26.453  23.555  1.00 28.43           C  
-ATOM    328  C   PHE A  44      15.371  26.531  23.802  1.00 29.32           C  
-ATOM    329  O   PHE A  44      14.899  27.444  24.472  1.00 30.55           O  
-ATOM    330  CB  PHE A  44      17.181  27.012  22.167  1.00 27.47           C  
-ATOM    331  CG  PHE A  44      16.725  28.445  21.980  1.00 26.51           C  
-ATOM    332  CD1 PHE A  44      17.587  29.511  22.258  1.00 27.37           C  
-ATOM    333  CD2 PHE A  44      15.461  28.724  21.486  1.00 24.61           C  
-ATOM    334  CE1 PHE A  44      17.199  30.847  22.036  1.00 24.34           C  
-ATOM    335  CE2 PHE A  44      15.052  30.053  21.257  1.00 24.79           C  
-ATOM    336  CZ  PHE A  44      15.922  31.110  21.532  1.00 24.44           C  
-ATOM    337  N   LEU A  45      14.624  25.591  23.247  1.00 30.86           N  
-ATOM    338  CA  LEU A  45      13.172  25.537  23.431  1.00 33.22           C  
-ATOM    339  C   LEU A  45      12.866  24.727  24.703  1.00 33.19           C  
-ATOM    340  O   LEU A  45      13.578  23.757  24.998  1.00 33.36           O  
-ATOM    341  CB  LEU A  45      12.512  24.841  22.244  1.00 33.27           C  
-ATOM    342  CG  LEU A  45      12.697  25.498  20.873  1.00 34.67           C  
-ATOM    343  CD1 LEU A  45      12.024  24.630  19.867  1.00 35.23           C  
-ATOM    344  CD2 LEU A  45      12.129  26.912  20.842  1.00 35.35           C  
-ATOM    345  N   ASP A  52       4.316  22.885  21.665  1.00 40.03           N  
-ATOM    346  CA  ASP A  52       4.029  24.312  21.870  1.00 39.87           C  
-ATOM    347  C   ASP A  52       5.121  25.246  21.284  1.00 36.79           C  
-ATOM    348  O   ASP A  52       4.943  25.950  20.289  1.00 35.81           O  
-ATOM    349  CB  ASP A  52       3.913  24.624  23.380  1.00 42.19           C  
-ATOM    350  CG  ASP A  52       3.573  23.391  24.229  1.00 45.73           C  
-ATOM    351  OD1 ASP A  52       4.405  22.444  24.301  1.00 46.58           O  
-ATOM    352  OD2 ASP A  52       2.472  23.380  24.834  1.00 46.60           O  
-ATOM    353  N   ALA A  53       6.254  25.231  21.957  1.00 35.21           N  
-ATOM    354  CA  ALA A  53       7.392  26.059  21.653  1.00 32.73           C  
-ATOM    355  C   ALA A  53       7.807  26.184  20.185  1.00 31.15           C  
-ATOM    356  O   ALA A  53       8.144  27.269  19.748  1.00 29.91           O  
-ATOM    357  CB  ALA A  53       8.567  25.584  22.496  1.00 32.93           C  
-ATOM    358  N   VAL A  54       7.812  25.083  19.437  1.00 30.20           N  
-ATOM    359  CA  VAL A  54       8.226  25.152  18.031  1.00 29.11           C  
-ATOM    360  C   VAL A  54       7.242  25.954  17.172  1.00 27.11           C  
-ATOM    361  O   VAL A  54       7.659  26.764  16.351  1.00 25.25           O  
-ATOM    362  CB  VAL A  54       8.417  23.737  17.437  1.00 29.72           C  
-ATOM    363  CG1 VAL A  54       8.589  23.803  15.938  1.00 30.21           C  
-ATOM    364  CG2 VAL A  54       9.650  23.101  18.050  1.00 30.96           C  
-ATOM    365  N   ASP A  55       5.943  25.742  17.363  1.00 24.70           N  
-ATOM    366  CA  ASP A  55       4.973  26.476  16.563  1.00 24.96           C  
-ATOM    367  C   ASP A  55       5.020  27.970  16.947  1.00 23.45           C  
-ATOM    368  O   ASP A  55       4.910  28.803  16.076  1.00 21.88           O  
-ATOM    369  CB  ASP A  55       3.547  25.914  16.748  1.00 28.28           C  
-ATOM    370  CG  ASP A  55       2.479  26.737  16.011  1.00 30.04           C  
-ATOM    371  OD1 ASP A  55       2.159  27.871  16.454  1.00 33.23           O  
-ATOM    372  OD2 ASP A  55       1.948  26.262  14.986  1.00 31.89           O  
-ATOM    373  N   LYS A  56       5.188  28.296  18.234  1.00 21.71           N  
-ATOM    374  CA  LYS A  56       5.265  29.692  18.649  1.00 22.67           C  
-ATOM    375  C   LYS A  56       6.546  30.315  18.058  1.00 20.59           C  
-ATOM    376  O   LYS A  56       6.549  31.474  17.648  1.00 21.57           O  
-ATOM    377  CB  LYS A  56       5.318  29.829  20.193  1.00 24.13           C  
-ATOM    378  CG  LYS A  56       4.015  29.559  21.014  1.00 30.30           C  
-ATOM    379  CD  LYS A  56       3.108  30.811  21.229  1.00 33.90           C  
-ATOM    380  CE  LYS A  56       2.349  30.794  22.597  1.00 36.37           C  
-ATOM    381  NZ  LYS A  56       1.530  32.042  22.934  1.00 36.83           N  
-ATOM    382  N   LEU A  57       7.635  29.549  18.037  1.00 19.46           N  
-ATOM    383  CA  LEU A  57       8.904  30.078  17.504  1.00 18.84           C  
-ATOM    384  C   LEU A  57       8.693  30.435  16.051  1.00 18.12           C  
-ATOM    385  O   LEU A  57       9.127  31.493  15.568  1.00 16.18           O  
-ATOM    386  CB  LEU A  57      10.010  29.017  17.544  1.00 18.04           C  
-ATOM    387  CG  LEU A  57      11.467  29.451  17.708  1.00 21.34           C  
-ATOM    388  CD1 LEU A  57      12.415  28.421  17.123  1.00 14.91           C  
-ATOM    389  CD2 LEU A  57      11.699  30.777  17.130  1.00 20.01           C  
-ATOM    390  N   LEU A  58       8.079  29.509  15.316  1.00 17.33           N  
-ATOM    391  CA  LEU A  58       7.870  29.772  13.899  1.00 18.33           C  
-ATOM    392  C   LEU A  58       7.022  31.054  13.667  1.00 17.69           C  
-ATOM    393  O   LEU A  58       7.370  31.908  12.841  1.00 16.54           O  
-ATOM    394  CB  LEU A  58       7.239  28.569  13.239  1.00 16.44           C  
-ATOM    395  CG  LEU A  58       6.990  28.823  11.753  1.00 17.77           C  
-ATOM    396  CD1 LEU A  58       7.579  27.723  10.858  1.00 23.20           C  
-ATOM    397  CD2 LEU A  58       5.515  28.858  11.595  1.00 19.89           C  
-ATOM    398  N   LYS A  59       5.946  31.188  14.433  1.00 18.79           N  
-ATOM    399  CA  LYS A  59       5.073  32.354  14.334  1.00 19.73           C  
-ATOM    400  C   LYS A  59       5.842  33.627  14.682  1.00 18.49           C  
-ATOM    401  O   LYS A  59       5.576  34.679  14.127  1.00 18.95           O  
-ATOM    402  CB  LYS A  59       3.887  32.194  15.282  1.00 23.44           C  
-ATOM    403  CG  LYS A  59       2.825  31.180  14.817  1.00 28.21           C  
-ATOM    404  CD  LYS A  59       2.029  30.647  16.013  1.00 31.03           C  
-ATOM    405  CE  LYS A  59       0.505  30.888  15.887  1.00 32.64           C  
-ATOM    406  NZ  LYS A  59      -0.264  30.463  17.162  1.00 33.19           N  
-ATOM    407  N   ASP A  60       6.806  33.527  15.596  1.00 19.07           N  
-ATOM    408  CA  ASP A  60       7.619  34.689  15.992  1.00 17.54           C  
-ATOM    409  C   ASP A  60       8.573  35.133  14.882  1.00 18.26           C  
-ATOM    410  O   ASP A  60       8.792  36.339  14.664  1.00 16.39           O  
-ATOM    411  CB  ASP A  60       8.479  34.376  17.221  1.00 17.41           C  
-ATOM    412  CG  ASP A  60       7.713  34.467  18.543  1.00 21.29           C  
-ATOM    413  OD1 ASP A  60       6.523  34.844  18.544  1.00 20.03           O  
-ATOM    414  OD2 ASP A  60       8.320  34.158  19.594  1.00 22.41           O  
-ATOM    415  N   LEU A  61       9.176  34.149  14.217  1.00 17.67           N  
-ATOM    416  CA  LEU A  61      10.144  34.428  13.166  1.00 18.45           C  
-ATOM    417  C   LEU A  61       9.557  34.750  11.779  1.00 18.57           C  
-ATOM    418  O   LEU A  61      10.171  35.474  10.973  1.00 18.74           O  
-ATOM    419  CB  LEU A  61      11.087  33.240  13.015  1.00 17.39           C  
-ATOM    420  CG  LEU A  61      11.903  32.775  14.219  1.00 18.62           C  
-ATOM    421  CD1 LEU A  61      13.035  31.921  13.676  1.00 20.37           C  
-ATOM    422  CD2 LEU A  61      12.461  33.910  14.997  1.00 18.11           C  
-ATOM    423  N   ASP A  62       8.383  34.186  11.505  1.00 19.17           N  
-ATOM    424  CA  ASP A  62       7.720  34.369  10.206  1.00 19.20           C  
-ATOM    425  C   ASP A  62       7.365  35.824   9.974  1.00 18.85           C  
-ATOM    426  O   ASP A  62       6.383  36.276  10.490  1.00 21.55           O  
-ATOM    427  CB  ASP A  62       6.426  33.527  10.149  1.00 16.56           C  
-ATOM    428  CG  ASP A  62       5.825  33.456   8.740  1.00 19.02           C  
-ATOM    429  OD1 ASP A  62       6.494  33.864   7.755  1.00 15.69           O  
-ATOM    430  OD2 ASP A  62       4.678  32.972   8.623  1.00 20.35           O  
-ATOM    431  N   ALA A  63       8.141  36.558   9.198  1.00 19.45           N  
-ATOM    432  CA  ALA A  63       7.800  37.948   8.969  1.00 22.52           C  
-ATOM    433  C   ALA A  63       6.795  38.156   7.839  1.00 23.69           C  
-ATOM    434  O   ALA A  63       6.126  39.194   7.778  1.00 25.43           O  
-ATOM    435  CB  ALA A  63       9.055  38.773   8.676  1.00 21.26           C  
-ATOM    436  N   ASN A  64       6.680  37.208   6.926  1.00 24.72           N  
-ATOM    437  CA  ASN A  64       5.763  37.444   5.801  1.00 24.82           C  
-ATOM    438  C   ASN A  64       4.501  36.636   5.824  1.00 26.07           C  
-ATOM    439  O   ASN A  64       3.742  36.654   4.857  1.00 28.71           O  
-ATOM    440  CB  ASN A  64       6.476  37.230   4.467  1.00 23.72           C  
-ATOM    441  CG  ASN A  64       6.857  35.780   4.232  1.00 20.91           C  
-ATOM    442  OD1 ASN A  64       7.004  35.026   5.290  1.00 18.24           O  
-ATOM    443  ND2 ASN A  64       7.017  35.355   3.083  1.00 24.16           N  
-ATOM    444  N   GLY A  65       4.278  35.916   6.911  1.00 23.84           N  
-ATOM    445  CA  GLY A  65       3.062  35.139   7.045  1.00 24.92           C  
-ATOM    446  C   GLY A  65       2.823  33.939   6.118  1.00 25.05           C  
-ATOM    447  O   GLY A  65       1.664  33.619   5.854  1.00 24.68           O  
-ATOM    448  N   ASP A  66       3.873  33.284   5.617  1.00 21.98           N  
-ATOM    449  CA  ASP A  66       3.682  32.090   4.777  1.00 21.31           C  
-ATOM    450  C   ASP A  66       3.800  30.800   5.609  1.00 20.58           C  
-ATOM    451  O   ASP A  66       3.769  29.689   5.066  1.00 21.87           O  
-ATOM    452  CB  ASP A  66       4.678  32.027   3.610  1.00 19.99           C  
-ATOM    453  CG  ASP A  66       6.136  32.154   4.051  1.00 19.83           C  
-ATOM    454  OD1 ASP A  66       6.438  32.080   5.270  1.00 16.77           O  
-ATOM    455  OD2 ASP A  66       6.984  32.341   3.148  1.00 19.44           O  
-ATOM    456  N   ALA A  67       3.909  30.935   6.923  1.00 18.52           N  
-ATOM    457  CA  ALA A  67       4.023  29.757   7.785  1.00 19.94           C  
-ATOM    458  C   ALA A  67       5.341  28.963   7.626  1.00 18.43           C  
-ATOM    459  O   ALA A  67       5.441  27.790   8.013  1.00 19.78           O  
-ATOM    460  CB  ALA A  67       2.811  28.831   7.562  1.00 21.65           C  
-ATOM    461  N   GLN A  68       6.365  29.624   7.096  1.00 19.03           N  
-ATOM    462  CA  GLN A  68       7.672  28.994   6.909  1.00 17.62           C  
-ATOM    463  C   GLN A  68       8.757  30.000   7.268  1.00 16.58           C  
-ATOM    464  O   GLN A  68       8.513  31.229   7.255  1.00 17.00           O  
-ATOM    465  CB  GLN A  68       7.835  28.599   5.452  1.00 18.82           C  
-ATOM    466  CG  GLN A  68       6.764  27.677   4.954  1.00 22.08           C  
-ATOM    467  CD  GLN A  68       6.591  27.762   3.445  1.00 23.48           C  
-ATOM    468  OE1 GLN A  68       5.477  27.852   2.973  1.00 26.87           O  
-ATOM    469  NE2 GLN A  68       7.694  27.721   2.690  1.00 23.49           N  
-ATOM    470  N   VAL A  69       9.941  29.483   7.558  1.00 12.36           N  
-ATOM    471  CA  VAL A  69      11.061  30.333   7.887  1.00 13.04           C  
-ATOM    472  C   VAL A  69      12.058  30.309   6.745  1.00 13.27           C  
-ATOM    473  O   VAL A  69      12.662  29.262   6.448  1.00 11.21           O  
-ATOM    474  CB  VAL A  69      11.792  29.876   9.150  1.00 11.02           C  
-ATOM    475  CG1 VAL A  69      12.894  30.910   9.530  1.00  7.91           C  
-ATOM    476  CG2 VAL A  69      10.814  29.752  10.280  1.00 12.01           C  
-ATOM    477  N   ASP A  70      12.234  31.460   6.110  1.00 13.96           N  
-ATOM    478  CA  ASP A  70      13.177  31.524   5.008  1.00 14.45           C  
-ATOM    479  C   ASP A  70      14.539  31.953   5.552  1.00 13.71           C  
-ATOM    480  O   ASP A  70      14.710  32.159   6.779  1.00 13.84           O  
-ATOM    481  CB  ASP A  70      12.696  32.433   3.845  1.00 15.41           C  
-ATOM    482  CG  ASP A  70      12.475  33.889   4.239  1.00 17.16           C  
-ATOM    483  OD1 ASP A  70      13.182  34.457   5.107  1.00 17.14           O  
-ATOM    484  OD2 ASP A  70      11.549  34.469   3.636  1.00 17.57           O  
-ATOM    485  N   PHE A  71      15.517  32.046   4.674  1.00 13.55           N  
-ATOM    486  CA  PHE A  71      16.822  32.392   5.180  1.00 14.40           C  
-ATOM    487  C   PHE A  71      16.901  33.748   5.849  1.00 15.21           C  
-ATOM    488  O   PHE A  71      17.513  33.846   6.895  1.00 16.61           O  
-ATOM    489  CB  PHE A  71      17.930  32.266   4.122  1.00 13.91           C  
-ATOM    490  CG  PHE A  71      19.315  32.353   4.727  1.00 14.34           C  
-ATOM    491  CD1 PHE A  71      19.856  31.280   5.413  1.00 14.39           C  
-ATOM    492  CD2 PHE A  71      20.039  33.556   4.693  1.00 15.61           C  
-ATOM    493  CE1 PHE A  71      21.113  31.382   6.079  1.00 14.67           C  
-ATOM    494  CE2 PHE A  71      21.287  33.677   5.352  1.00 14.87           C  
-ATOM    495  CZ  PHE A  71      21.813  32.583   6.043  1.00 16.48           C  
-ATOM    496  N   SER A  72      16.279  34.780   5.295  1.00 15.99           N  
-ATOM    497  CA  SER A  72      16.336  36.102   5.942  1.00 17.51           C  
-ATOM    498  C   SER A  72      15.798  36.051   7.360  1.00 17.49           C  
-ATOM    499  O   SER A  72      16.440  36.614   8.272  1.00 17.41           O  
-ATOM    500  CB  SER A  72      15.543  37.163   5.149  1.00 20.35           C  
-ATOM    501  OG  SER A  72      16.072  37.224   3.821  1.00 21.44           O  
-ATOM    502  N   GLU A  73      14.637  35.394   7.540  1.00 14.55           N  
-ATOM    503  CA  GLU A  73      14.012  35.266   8.866  1.00 15.37           C  
-ATOM    504  C   GLU A  73      14.923  34.462   9.821  1.00 14.86           C  
-ATOM    505  O   GLU A  73      15.102  34.792  11.000  1.00 15.10           O  
-ATOM    506  CB  GLU A  73      12.636  34.596   8.732  1.00 14.33           C  
-ATOM    507  CG  GLU A  73      11.659  35.465   7.887  1.00 16.90           C  
-ATOM    508  CD  GLU A  73      10.476  34.680   7.399  1.00 16.12           C  
-ATOM    509  OE1 GLU A  73      10.591  33.439   7.294  1.00 15.88           O  
-ATOM    510  OE2 GLU A  73       9.436  35.298   7.101  1.00 17.07           O  
-ATOM    511  N   PHE A  74      15.510  33.409   9.288  1.00 14.46           N  
-ATOM    512  CA  PHE A  74      16.405  32.587  10.058  1.00 14.71           C  
-ATOM    513  C   PHE A  74      17.675  33.348  10.481  1.00 13.59           C  
-ATOM    514  O   PHE A  74      18.043  33.316  11.636  1.00 16.53           O  
-ATOM    515  CB  PHE A  74      16.762  31.327   9.249  1.00 13.13           C  
-ATOM    516  CG  PHE A  74      17.802  30.459   9.891  1.00 13.92           C  
-ATOM    517  CD1 PHE A  74      17.468  29.627  10.952  1.00 16.41           C  
-ATOM    518  CD2 PHE A  74      19.105  30.424   9.400  1.00 14.59           C  
-ATOM    519  CE1 PHE A  74      18.408  28.761  11.526  1.00 13.93           C  
-ATOM    520  CE2 PHE A  74      20.070  29.550   9.978  1.00 15.68           C  
-ATOM    521  CZ  PHE A  74      19.702  28.720  11.047  1.00 14.86           C  
-ATOM    522  N   ILE A  75      18.340  34.049   9.586  1.00 15.14           N  
-ATOM    523  CA  ILE A  75      19.567  34.715  10.001  1.00 16.45           C  
-ATOM    524  C   ILE A  75      19.295  35.842  11.015  1.00 16.94           C  
-ATOM    525  O   ILE A  75      20.138  36.131  11.860  1.00 17.86           O  
-ATOM    526  CB  ILE A  75      20.383  35.241   8.756  1.00 15.34           C  
-ATOM    527  CG1 ILE A  75      21.802  35.648   9.153  1.00 18.99           C  
-ATOM    528  CG2 ILE A  75      19.741  36.457   8.166  1.00 14.73           C  
-ATOM    529  CD1 ILE A  75      22.887  34.601   8.900  1.00 16.79           C  
-ATOM    530  N   VAL A  76      18.117  36.450  10.961  1.00 16.75           N  
-ATOM    531  CA  VAL A  76      17.798  37.506  11.908  1.00 17.60           C  
-ATOM    532  C   VAL A  76      17.708  36.843  13.290  1.00 17.53           C  
-ATOM    533  O   VAL A  76      18.182  37.381  14.300  1.00 15.69           O  
-ATOM    534  CB  VAL A  76      16.473  38.199  11.506  1.00 18.83           C  
-ATOM    535  CG1 VAL A  76      15.851  38.910  12.696  1.00 20.41           C  
-ATOM    536  CG2 VAL A  76      16.766  39.205  10.383  1.00 20.07           C  
-ATOM    537  N   PHE A  77      17.131  35.654  13.323  1.00 15.37           N  
-ATOM    538  CA  PHE A  77      17.022  34.899  14.578  1.00 14.92           C  
-ATOM    539  C   PHE A  77      18.406  34.510  15.137  1.00 15.11           C  
-ATOM    540  O   PHE A  77      18.655  34.654  16.366  1.00 13.08           O  
-ATOM    541  CB  PHE A  77      16.179  33.644  14.337  1.00 15.08           C  
-ATOM    542  CG  PHE A  77      16.169  32.675  15.490  1.00 17.13           C  
-ATOM    543  CD1 PHE A  77      15.682  33.058  16.736  1.00 17.66           C  
-ATOM    544  CD2 PHE A  77      16.636  31.383  15.317  1.00 18.05           C  
-ATOM    545  CE1 PHE A  77      15.652  32.163  17.816  1.00 19.40           C  
-ATOM    546  CE2 PHE A  77      16.623  30.482  16.376  1.00 19.87           C  
-ATOM    547  CZ  PHE A  77      16.126  30.872  17.635  1.00 21.49           C  
-ATOM    548  N   VAL A  78      19.284  33.990  14.257  1.00 12.37           N  
-ATOM    549  CA  VAL A  78      20.649  33.621  14.637  1.00 14.10           C  
-ATOM    550  C   VAL A  78      21.410  34.815  15.200  1.00 14.83           C  
-ATOM    551  O   VAL A  78      22.150  34.704  16.200  1.00 15.51           O  
-ATOM    552  CB  VAL A  78      21.422  33.022  13.414  1.00 15.13           C  
-ATOM    553  CG1 VAL A  78      22.888  32.777  13.760  1.00 13.99           C  
-ATOM    554  CG2 VAL A  78      20.761  31.698  13.029  1.00 16.30           C  
-ATOM    555  N   ALA A  79      21.218  35.968  14.566  1.00 15.59           N  
-ATOM    556  CA  ALA A  79      21.868  37.212  15.014  1.00 16.00           C  
-ATOM    557  C   ALA A  79      21.407  37.627  16.394  1.00 16.47           C  
-ATOM    558  O   ALA A  79      22.212  38.046  17.212  1.00 14.02           O  
-ATOM    559  CB  ALA A  79      21.578  38.352  14.029  1.00 15.78           C  
-ATOM    560  N   ALA A  80      20.097  37.528  16.627  1.00 16.63           N  
-ATOM    561  CA  ALA A  80      19.513  37.924  17.893  1.00 17.21           C  
-ATOM    562  C   ALA A  80      20.088  37.067  19.041  1.00 17.36           C  
-ATOM    563  O   ALA A  80      20.499  37.600  20.083  1.00 16.28           O  
-ATOM    564  CB  ALA A  80      17.981  37.777  17.817  1.00 18.56           C  
-ATOM    565  N   ILE A  81      20.097  35.747  18.842  1.00 15.33           N  
-ATOM    566  CA  ILE A  81      20.644  34.826  19.833  1.00 17.42           C  
-ATOM    567  C   ILE A  81      22.113  35.138  20.092  1.00 14.92           C  
-ATOM    568  O   ILE A  81      22.572  35.165  21.223  1.00 17.14           O  
-ATOM    569  CB  ILE A  81      20.604  33.362  19.326  1.00 19.08           C  
-ATOM    570  CG1 ILE A  81      19.191  32.898  19.120  1.00 23.30           C  
-ATOM    571  CG2 ILE A  81      21.256  32.471  20.349  1.00 24.25           C  
-ATOM    572  CD1 ILE A  81      18.252  33.565  20.052  1.00 19.67           C  
-ATOM    573  N   THR A  82      22.863  35.341  19.019  1.00 14.88           N  
-ATOM    574  CA  THR A  82      24.287  35.643  19.154  1.00 13.70           C  
-ATOM    575  C   THR A  82      24.483  36.983  19.895  1.00 14.44           C  
-ATOM    576  O   THR A  82      25.305  37.073  20.813  1.00 14.33           O  
-ATOM    577  CB  THR A  82      24.947  35.692  17.783  1.00 14.99           C  
-ATOM    578  OG1 THR A  82      24.612  34.485  17.058  1.00 14.60           O  
-ATOM    579  CG2 THR A  82      26.485  35.779  17.939  1.00 13.17           C  
-ATOM    580  N   SER A  83      23.682  38.000  19.541  1.00 13.12           N  
-ATOM    581  CA  SER A  83      23.785  39.301  20.205  1.00 14.36           C  
-ATOM    582  C   SER A  83      23.459  39.158  21.694  1.00 13.59           C  
-ATOM    583  O   SER A  83      24.083  39.786  22.519  1.00 12.30           O  
-ATOM    584  CB  SER A  83      22.829  40.334  19.571  1.00 13.88           C  
-ATOM    585  OG  SER A  83      22.944  41.609  20.225  1.00 21.34           O  
-ATOM    586  N   ALA A  84      22.463  38.343  22.025  1.00 14.22           N  
-ATOM    587  CA  ALA A  84      22.084  38.164  23.436  1.00 16.88           C  
-ATOM    588  C   ALA A  84      23.241  37.529  24.226  1.00 17.64           C  
-ATOM    589  O   ALA A  84      23.482  37.878  25.371  1.00 18.76           O  
-ATOM    590  CB  ALA A  84      20.810  37.303  23.544  1.00 17.09           C  
-ATOM    591  N   CYS A  85      23.953  36.598  23.612  1.00 18.63           N  
-ATOM    592  CA  CYS A  85      25.110  35.958  24.272  1.00 18.67           C  
-ATOM    593  C   CYS A  85      26.210  36.978  24.543  1.00 18.39           C  
-ATOM    594  O   CYS A  85      26.735  37.059  25.655  1.00 18.77           O  
-ATOM    595  CB  CYS A  85      25.705  34.842  23.401  1.00 19.74           C  
-ATOM    596  SG  CYS A  85      24.611  33.415  23.211  1.00 26.65           S  
-ATOM    597  N   HIS A  86      26.544  37.771  23.532  1.00 16.44           N  
-ATOM    598  CA  HIS A  86      27.584  38.760  23.660  1.00 15.70           C  
-ATOM    599  C   HIS A  86      27.237  39.853  24.689  1.00 16.38           C  
-ATOM    600  O   HIS A  86      28.119  40.323  25.448  1.00 15.78           O  
-ATOM    601  CB  HIS A  86      27.904  39.382  22.279  1.00 14.04           C  
-ATOM    602  CG  HIS A  86      29.103  40.291  22.299  1.00 15.52           C  
-ATOM    603  ND1 HIS A  86      29.043  41.574  22.786  1.00 14.98           N  
-ATOM    604  CD2 HIS A  86      30.409  40.065  21.999  1.00 15.63           C  
-ATOM    605  CE1 HIS A  86      30.253  42.106  22.790  1.00 14.63           C  
-ATOM    606  NE2 HIS A  86      31.102  41.210  22.314  1.00 14.64           N  
-ATOM    607  N   LYS A  87      25.970  40.270  24.726  1.00 13.41           N  
-ATOM    608  CA  LYS A  87      25.524  41.272  25.690  1.00 14.67           C  
-ATOM    609  C   LYS A  87      25.645  40.732  27.124  1.00 15.84           C  
-ATOM    610  O   LYS A  87      25.952  41.448  28.071  1.00 14.40           O  
-ATOM    611  CB  LYS A  87      24.053  41.587  25.439  1.00 19.32           C  
-ATOM    612  CG  LYS A  87      23.409  42.543  26.414  1.00 23.23           C  
-ATOM    613  CD  LYS A  87      22.596  43.591  25.658  1.00 29.42           C  
-ATOM    614  CE  LYS A  87      22.146  43.134  24.234  1.00 29.69           C  
-ATOM    615  NZ  LYS A  87      21.490  44.220  23.403  1.00 32.29           N  
-ATOM    616  N   TYR A  88      25.370  39.458  27.288  1.00 16.62           N  
-ATOM    617  CA  TYR A  88      25.437  38.889  28.624  1.00 18.98           C  
-ATOM    618  C   TYR A  88      26.863  38.906  29.208  1.00 20.02           C  
-ATOM    619  O   TYR A  88      27.032  39.263  30.367  1.00 19.44           O  
-ATOM    620  CB  TYR A  88      24.895  37.449  28.637  1.00 19.67           C  
-ATOM    621  CG  TYR A  88      24.889  36.811  30.033  1.00 22.38           C  
-ATOM    622  CD1 TYR A  88      23.836  37.019  30.926  1.00 23.16           C  
-ATOM    623  CD2 TYR A  88      25.958  36.031  30.455  1.00 23.12           C  
-ATOM    624  CE1 TYR A  88      23.855  36.449  32.240  1.00 24.45           C  
-ATOM    625  CE2 TYR A  88      25.990  35.460  31.747  1.00 24.44           C  
-ATOM    626  CZ  TYR A  88      24.948  35.679  32.631  1.00 24.06           C  
-ATOM    627  OH  TYR A  88      25.065  35.192  33.932  1.00 25.83           O  
-ATOM    628  N   PHE A  89      27.865  38.502  28.430  1.00 19.54           N  
-ATOM    629  CA  PHE A  89      29.220  38.477  28.960  1.00 22.50           C  
-ATOM    630  C   PHE A  89      29.820  39.855  29.022  1.00 22.28           C  
-ATOM    631  O   PHE A  89      30.710  40.100  29.843  1.00 24.20           O  
-ATOM    632  CB  PHE A  89      30.108  37.477  28.212  1.00 21.26           C  
-ATOM    633  CG  PHE A  89      29.651  36.057  28.387  1.00 23.30           C  
-ATOM    634  CD1 PHE A  89      29.776  35.435  29.609  1.00 23.89           C  
-ATOM    635  CD2 PHE A  89      28.998  35.385  27.354  1.00 24.89           C  
-ATOM    636  CE1 PHE A  89      29.255  34.164  29.825  1.00 25.57           C  
-ATOM    637  CE2 PHE A  89      28.463  34.085  27.559  1.00 27.96           C  
-ATOM    638  CZ  PHE A  89      28.597  33.487  28.800  1.00 26.51           C  
-ATOM    639  N   GLU A  90      29.291  40.764  28.208  1.00 23.17           N  
-ATOM    640  CA  GLU A  90      29.721  42.163  28.250  1.00 23.39           C  
-ATOM    641  C   GLU A  90      29.343  42.702  29.632  1.00 24.98           C  
-ATOM    642  O   GLU A  90      30.138  43.355  30.274  1.00 24.60           O  
-ATOM    643  CB  GLU A  90      29.030  42.999  27.158  1.00 24.99           C  
-ATOM    644  CG  GLU A  90      29.621  44.396  27.000  1.00 28.12           C  
-ATOM    645  CD  GLU A  90      28.832  45.334  26.003  1.00 30.73           C  
-ATOM    646  OE1 GLU A  90      29.237  46.513  25.864  1.00 28.47           O  
-ATOM    647  OE2 GLU A  90      27.834  44.912  25.374  1.00 30.53           O  
-ATOM    648  N   LYS A  91      28.136  42.378  30.109  1.00 26.09           N  
-ATOM    649  CA  LYS A  91      27.681  42.824  31.423  1.00 27.66           C  
-ATOM    650  C   LYS A  91      28.340  42.066  32.569  1.00 27.67           C  
-ATOM    651  O   LYS A  91      28.640  42.670  33.591  1.00 26.24           O  
-ATOM    652  CB  LYS A  91      26.153  42.697  31.568  1.00 28.22           C  
-ATOM    653  CG  LYS A  91      25.329  43.515  30.543  1.00 32.71           C  
-ATOM    654  CD  LYS A  91      25.482  45.050  30.694  1.00 33.97           C  
-ATOM    655  CE  LYS A  91      26.872  45.577  30.308  1.00 35.96           C  
-ATOM    656  NZ  LYS A  91      26.991  45.935  28.865  1.00 37.10           N  
-ATOM    657  N   ALA A  92      28.552  40.756  32.424  1.00 28.20           N  
-ATOM    658  CA  ALA A  92      29.203  39.990  33.506  1.00 28.98           C  
-ATOM    659  C   ALA A  92      30.577  40.603  33.751  1.00 30.89           C  
-ATOM    660  O   ALA A  92      31.171  40.436  34.823  1.00 30.50           O  
-ATOM    661  CB  ALA A  92      29.356  38.505  33.119  1.00 27.33           C  
-ATOM    662  N   GLY A  93      31.032  41.337  32.739  1.00 33.24           N  
-ATOM    663  CA  GLY A  93      32.324  42.012  32.718  1.00 36.22           C  
-ATOM    664  C   GLY A  93      32.599  43.171  33.647  1.00 37.83           C  
-ATOM    665  O   GLY A  93      33.621  43.838  33.519  1.00 38.14           O  
-ATOM    666  N   LEU A  94      31.669  43.452  34.544  1.00 40.67           N  
-ATOM    667  CA  LEU A  94      31.888  44.461  35.574  1.00 41.97           C  
-ATOM    668  C   LEU A  94      30.746  44.524  36.570  1.00 42.69           C  
-ATOM    669  O   LEU A  94      30.976  44.671  37.774  1.00 42.69           O  
-ATOM    670  CB  LEU A  94      32.145  45.866  35.019  1.00 43.44           C  
-ATOM    671  CG  LEU A  94      32.625  46.690  36.244  1.00 44.89           C  
-ATOM    672  CD1 LEU A  94      33.840  45.979  36.896  1.00 44.56           C  
-ATOM    673  CD2 LEU A  94      32.981  48.136  35.864  1.00 44.93           C  

Deleted: SwiftApps/modFTDock/input/1k8u-1.pdb
===================================================================
--- SwiftApps/modFTDock/input/1k8u-1.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/1k8u-1.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,700 +0,0 @@
-ATOM      1  N   ALA A   2     -10.282  -7.581  46.211  1.00 14.33           N  
-ATOM      2  CA  ALA A   2      -8.918  -7.527  46.806  1.00 12.53           C  
-ATOM      3  C   ALA A   2      -8.692  -6.265  47.636  1.00 11.96           C  
-ATOM      4  O   ALA A   2      -9.382  -5.231  47.463  1.00 13.57           O  
-ATOM      5  CB  ALA A   2      -7.914  -7.573  45.680  1.00 16.55           C  
-ATOM     17  N   PRO A   4      -6.819  -2.887  48.824  1.00 10.32           N  
-ATOM     18  CA  PRO A   4      -6.311  -1.833  47.936  1.00 10.22           C  
-ATOM     19  C   PRO A   4      -4.926  -2.058  47.362  1.00  9.90           C  
-ATOM     20  O   PRO A   4      -4.711  -1.914  46.159  1.00 10.38           O  
-ATOM     21  CB  PRO A   4      -6.400  -0.585  48.817  1.00 12.61           C  
-ATOM     22  CG  PRO A   4      -7.614  -0.873  49.650  1.00 13.46           C  
-ATOM     23  CD  PRO A   4      -7.464  -2.334  50.018  1.00 11.82           C  
-ATOM     24  N   LEU A   5      -3.955  -2.448  48.184  1.00  9.62           N  
-ATOM     25  CA  LEU A   5      -2.611  -2.628  47.635  1.00  9.42           C  
-ATOM     26  C   LEU A   5      -2.577  -3.836  46.724  1.00  8.88           C  
-ATOM     27  O   LEU A   5      -1.804  -3.861  45.755  1.00 10.16           O  
-ATOM     28  CB  LEU A   5      -1.588  -2.725  48.766  1.00 10.61           C  
-ATOM     29  CG  LEU A   5      -0.114  -2.620  48.331  1.00 10.67           C  
-ATOM     30  CD1 LEU A   5       0.124  -1.231  47.695  1.00 12.51           C  
-ATOM     31  CD2 LEU A   5       0.789  -2.916  49.497  1.00 12.24           C  
-ATOM     32  N   ASP A   6      -3.346  -4.927  47.008  1.00  9.84           N  
-ATOM     33  CA  ASP A   6      -3.395  -6.063  46.099  1.00 10.10           C  
-ATOM     34  C   ASP A   6      -4.014  -5.649  44.751  1.00  9.35           C  
-ATOM     35  O   ASP A   6      -3.528  -6.053  43.710  1.00  9.62           O  
-ATOM     36  CB  ASP A   6      -4.246  -7.211  46.685  1.00 10.33           C  
-ATOM     37  CG  ASP A   6      -3.458  -8.200  47.528  1.00 11.41           C  
-ATOM     38  OD1 ASP A   6      -2.389  -8.645  47.042  1.00 12.67           O  
-ATOM     39  OD2 ASP A   6      -3.923  -8.489  48.660  1.00 11.27           O  
-ATOM     40  N   GLN A   7      -5.018  -4.762  44.827  1.00  9.32           N  
-ATOM     41  CA  GLN A   7      -5.615  -4.247  43.618  1.00 10.50           C  
-ATOM     42  C   GLN A   7      -4.573  -3.474  42.784  1.00 10.11           C  
-ATOM     43  O   GLN A   7      -4.452  -3.631  41.582  1.00 10.85           O  
-ATOM     44  CB  GLN A   7      -6.774  -3.305  43.891  1.00 12.54           C  
-ATOM     45  CG  GLN A   7      -7.442  -2.747  42.664  1.00 17.98           C  
-ATOM     46  CD  GLN A   7      -8.678  -1.925  42.931  1.00 22.99           C  
-ATOM     47  OE1 GLN A   7      -9.428  -1.599  42.005  1.00 29.12           O  
-ATOM     48  NE2 GLN A   7      -8.921  -1.566  44.178  1.00 24.26           N  
-ATOM     49  N   ALA A   8      -3.791  -2.651  43.472  1.00  9.44           N  
-ATOM     50  CA  ALA A   8      -2.771  -1.829  42.812  1.00  9.93           C  
-ATOM     51  C   ALA A   8      -1.776  -2.720  42.099  1.00  9.01           C  
-ATOM     52  O   ALA A   8      -1.394  -2.501  40.947  1.00  9.52           O  
-ATOM     53  CB  ALA A   8      -2.098  -0.918  43.813  1.00 11.10           C  
-ATOM     54  N   ILE A   9      -1.264  -3.746  42.839  1.00  9.78           N  
-ATOM     55  CA  ILE A   9      -0.295  -4.639  42.227  1.00  9.90           C  
-ATOM     56  C   ILE A   9      -0.879  -5.394  41.046  1.00  9.46           C  
-ATOM     57  O   ILE A   9      -0.247  -5.541  39.990  1.00 10.00           O  
-ATOM     58  CB  ILE A   9       0.289  -5.614  43.289  1.00 11.44           C  
-ATOM     59  CG1 ILE A   9       1.107  -4.834  44.301  1.00 12.81           C  
-ATOM     60  CG2 ILE A   9       1.136  -6.689  42.625  1.00 12.38           C  
-ATOM     61  CD1 ILE A   9       1.622  -5.593  45.514  1.00 14.86           C  
-ATOM     62  N   GLY A  10      -2.126  -5.872  41.186  1.00  9.44           N  
-ATOM     63  CA  GLY A  10      -2.734  -6.572  40.082  1.00 10.41           C  
-ATOM     64  C   GLY A  10      -2.850  -5.699  38.836  1.00  9.27           C  
-ATOM     65  O   GLY A  10      -2.654  -6.145  37.716  1.00 10.04           O  
-ATOM     66  N   LEU A  11      -3.188  -4.422  39.017  1.00  9.55           N  
-ATOM     67  CA  LEU A  11      -3.245  -3.487  37.877  1.00  9.61           C  
-ATOM     68  C   LEU A  11      -1.880  -3.240  37.287  1.00  9.59           C  
-ATOM     69  O   LEU A  11      -1.725  -3.224  36.063  1.00 10.54           O  
-ATOM     70  CB  LEU A  11      -3.887  -2.199  38.363  1.00 10.37           C  
-ATOM     71  CG  LEU A  11      -5.364  -2.260  38.685  1.00 10.16           C  
-ATOM     72  CD1 LEU A  11      -5.798  -0.964  39.344  1.00 12.76           C  
-ATOM     73  CD2 LEU A  11      -6.219  -2.496  37.453  1.00 15.15           C  
-ATOM     74  N   LEU A  12      -0.837  -3.076  38.108  1.00  9.99           N  
-ATOM     75  CA  LEU A  12       0.535  -2.922  37.567  1.00 10.54           C  
-ATOM     76  C   LEU A  12       0.928  -4.079  36.706  1.00 10.13           C  
-ATOM     77  O   LEU A  12       1.566  -3.905  35.653  1.00  9.97           O  
-ATOM     78  CB  LEU A  12       1.585  -2.884  38.715  1.00 11.60           C  
-ATOM     79  CG  LEU A  12       1.537  -1.662  39.563  1.00 15.36           C  
-ATOM     80  CD1 LEU A  12       2.512  -1.678  40.718  1.00 17.33           C  
-ATOM     81  CD2 LEU A  12       1.822  -0.431  38.697  1.00 18.20           C  
-ATOM     82  N   VAL A  13       0.636  -5.299  37.204  1.00  9.62           N  
-ATOM     83  CA  VAL A  13       0.976  -6.497  36.452  1.00 10.07           C  
-ATOM     84  C   VAL A  13       0.190  -6.575  35.162  1.00  9.43           C  
-ATOM     85  O   VAL A  13       0.737  -6.919  34.091  1.00  9.93           O  
-ATOM     86  CB  VAL A  13       0.750  -7.757  37.321  1.00 10.55           C  
-ATOM     87  CG1 VAL A  13       0.915  -9.040  36.528  1.00 12.53           C  
-ATOM     88  CG2 VAL A  13       1.724  -7.785  38.482  1.00 12.19           C  
-ATOM     89  N   ALA A  14      -1.114  -6.271  35.223  1.00  8.90           N  
-ATOM     90  CA  ALA A  14      -1.925  -6.350  34.036  1.00  9.19           C  
-ATOM     91  C   ALA A  14      -1.434  -5.395  32.943  1.00 10.01           C  
-ATOM     92  O   ALA A  14      -1.337  -5.757  31.779  1.00 10.65           O  
-ATOM     93  CB  ALA A  14      -3.381  -6.053  34.356  1.00 10.38           C  
-ATOM     94  N   ILE A  15      -1.141  -4.142  33.356  1.00  8.74           N  
-ATOM     95  CA  ILE A  15      -0.685  -3.181  32.317  1.00  9.90           C  
-ATOM     96  C   ILE A  15       0.670  -3.580  31.780  1.00  8.39           C  
-ATOM     97  O   ILE A  15       0.904  -3.453  30.580  1.00  9.78           O  
-ATOM     98  CB  ILE A  15      -0.733  -1.763  32.915  1.00 10.67           C  
-ATOM     99  CG1 ILE A  15      -2.175  -1.387  33.260  1.00 11.48           C  
-ATOM    100  CG2 ILE A  15      -0.115  -0.767  31.920  1.00 11.85           C  
-ATOM    101  CD1 ILE A  15      -3.206  -1.422  32.145  1.00 14.35           C  
-ATOM    102  N   PHE A  16       1.569  -4.098  32.612  1.00  8.76           N  
-ATOM    103  CA  PHE A  16       2.853  -4.601  32.085  1.00  8.16           C  
-ATOM    104  C   PHE A  16       2.574  -5.632  31.024  1.00  9.08           C  
-ATOM    105  O   PHE A  16       3.194  -5.562  29.947  1.00 10.04           O  
-ATOM    106  CB  PHE A  16       3.649  -5.191  33.249  1.00  9.35           C  
-ATOM    107  CG  PHE A  16       4.994  -5.755  32.831  1.00  8.89           C  
-ATOM    108  CD1 PHE A  16       6.060  -4.933  32.542  1.00  9.86           C  
-ATOM    109  CD2 PHE A  16       5.165  -7.132  32.733  1.00 11.72           C  
-ATOM    110  CE1 PHE A  16       7.274  -5.504  32.184  1.00 11.54           C  
-ATOM    111  CE2 PHE A  16       6.390  -7.674  32.366  1.00 12.92           C  
-ATOM    112  CZ  PHE A  16       7.438  -6.845  32.067  1.00 12.57           C  
-ATOM    113  N   HIS A  17       1.769  -6.651  31.338  1.00  9.15           N  
-ATOM    114  CA  HIS A  17       1.527  -7.741  30.372  1.00 10.18           C  
-ATOM    115  C   HIS A  17       0.785  -7.306  29.134  1.00 10.19           C  
-ATOM    116  O   HIS A  17       1.029  -7.884  28.064  1.00 11.53           O  
-ATOM    117  CB  HIS A  17       0.768  -8.888  31.023  1.00 11.56           C  
-ATOM    118  CG  HIS A  17       1.627  -9.711  31.926  1.00 11.61           C  
-ATOM    119  ND1 HIS A  17       1.144 -10.427  33.015  1.00 17.34           N  
-ATOM    120  CD2 HIS A  17       2.947  -9.956  31.900  1.00 12.98           C  
-ATOM    121  CE1 HIS A  17       2.152 -11.090  33.576  1.00 18.25           C  
-ATOM    122  NE2 HIS A  17       3.293 -10.838  32.914  1.00 15.22           N  
-ATOM    123  N   LYS A  18      -0.003  -6.245  29.205  1.00 10.54           N  
-ATOM    124  CA  LYS A  18      -0.650  -5.742  28.007  1.00 11.04           C  
-ATOM    125  C   LYS A  18       0.403  -5.367  26.983  1.00 11.53           C  
-ATOM    126  O   LYS A  18       0.213  -5.546  25.755  1.00 13.76           O  
-ATOM    127  CB  LYS A  18      -1.496  -4.532  28.370  1.00 10.40           C  
-ATOM    128  CG  LYS A  18      -2.140  -3.839  27.164  1.00 13.02           C  
-ATOM    129  CD  LYS A  18      -3.073  -2.722  27.644  1.00 12.94           C  
-ATOM    130  CE  LYS A  18      -3.652  -1.960  26.471  1.00 15.41           C  
-ATOM    131  NZ  LYS A  18      -4.621  -0.887  26.924  1.00 18.42           N  
-ATOM    132  N   TYR A  19       1.507  -4.767  27.416  1.00 10.30           N  
-ATOM    133  CA  TYR A  19       2.545  -4.343  26.483  1.00  9.88           C  
-ATOM    134  C   TYR A  19       3.629  -5.387  26.343  1.00 10.86           C  
-ATOM    135  O   TYR A  19       4.162  -5.527  25.212  1.00 11.99           O  
-ATOM    136  CB  TYR A  19       3.098  -2.982  26.988  1.00 10.17           C  
-ATOM    137  CG  TYR A  19       2.054  -1.908  26.806  1.00 10.53           C  
-ATOM    138  CD1 TYR A  19       1.060  -1.699  27.767  1.00  9.70           C  
-ATOM    139  CD2 TYR A  19       1.986  -1.129  25.646  1.00 12.17           C  
-ATOM    140  CE1 TYR A  19       0.065  -0.767  27.598  1.00 10.98           C  
-ATOM    141  CE2 TYR A  19       1.000  -0.160  25.475  1.00 12.68           C  
-ATOM    142  CZ  TYR A  19       0.033  -0.024  26.441  1.00 12.24           C  
-ATOM    143  OH  TYR A  19      -0.957   0.942  26.233  1.00 13.17           O  
-ATOM    144  N   SER A  20       4.039  -6.086  27.385  1.00  9.94           N  
-ATOM    145  CA  SER A  20       5.122  -7.057  27.282  1.00 10.39           C  
-ATOM    146  C   SER A  20       4.719  -8.221  26.373  1.00 11.35           C  
-ATOM    147  O   SER A  20       5.595  -8.868  25.788  1.00 13.49           O  
-ATOM    148  CB  SER A  20       5.555  -7.571  28.641  1.00 11.53           C  
-ATOM    149  OG  SER A  20       4.584  -8.448  29.154  1.00 11.24           O  
-ATOM    150  N   GLY A  21       3.434  -8.508  26.300  1.00 13.14           N  
-ATOM    151  CA  GLY A  21       2.984  -9.594  25.419  1.00 17.96           C  
-ATOM    152  C   GLY A  21       3.018  -9.136  23.984  1.00 19.55           C  
-ATOM    153  O   GLY A  21       3.015 -10.068  23.155  1.00 23.91           O  
-ATOM    154  N   ARG A  22       3.164  -7.927  23.545  1.00 18.53           N  
-ATOM    155  CA  ARG A  22       3.082  -7.577  22.122  1.00 20.01           C  
-ATOM    156  C   ARG A  22       4.176  -8.175  21.275  1.00 21.66           C  
-ATOM    157  O   ARG A  22       3.916  -8.542  20.090  1.00 22.81           O  
-ATOM    158  CB  ARG A  22       3.113  -6.054  22.013  1.00 20.80           C  
-ATOM    159  CG  ARG A  22       1.763  -5.509  22.479  1.00 21.11           C  
-ATOM    160  CD  ARG A  22       1.760  -3.980  22.457  1.00 21.94           C  
-ATOM    161  NE  ARG A  22       0.407  -3.560  22.819  1.00 22.32           N  
-ATOM    162  CZ  ARG A  22      -0.086  -2.334  22.742  1.00 21.00           C  
-ATOM    163  NH1 ARG A  22       0.687  -1.355  22.334  1.00 21.62           N  
-ATOM    164  NH2 ARG A  22      -1.342  -2.131  23.102  1.00 23.29           N  
-ATOM    165  N   GLU A  23       5.375  -8.294  21.815  1.00 20.72           N  
-ATOM    166  CA  GLU A  23       6.404  -8.922  20.989  1.00 22.00           C  
-ATOM    167  C   GLU A  23       7.325  -9.761  21.832  1.00 20.99           C  
-ATOM    168  O   GLU A  23       7.654  -9.423  22.977  1.00 19.14           O  
-ATOM    169  CB  GLU A  23       7.099  -7.885  20.152  1.00 26.10           C  
-ATOM    170  CG  GLU A  23       8.154  -6.981  20.718  1.00 30.65           C  
-ATOM    171  CD  GLU A  23       9.151  -6.670  19.600  1.00 33.71           C  
-ATOM    172  OE1 GLU A  23       8.857  -5.762  18.801  1.00 35.64           O  
-ATOM    173  OE2 GLU A  23      10.180  -7.373  19.528  1.00 35.95           O  
-ATOM    174  N   GLY A  24       7.675 -10.938  21.300  1.00 19.49           N  
-ATOM    175  CA  GLY A  24       8.624 -11.825  21.942  1.00 20.30           C  
-ATOM    176  C   GLY A  24       8.226 -12.349  23.297  1.00 19.06           C  
-ATOM    177  O   GLY A  24       7.192 -12.927  23.579  1.00 21.57           O  
-ATOM    178  N   ASP A  25       9.220 -12.239  24.189  1.00 20.16           N  
-ATOM    179  CA  ASP A  25       9.133 -12.651  25.575  1.00 19.95           C  
-ATOM    180  C   ASP A  25       8.096 -11.879  26.355  1.00 15.18           C  
-ATOM    181  O   ASP A  25       8.253 -10.647  26.434  1.00 15.94           O  
-ATOM    182  CB  ASP A  25      10.537 -12.357  26.143  1.00 21.47           C  
-ATOM    183  CG  ASP A  25      10.743 -12.853  27.557  1.00 20.34           C  
-ATOM    184  OD1 ASP A  25       9.864 -13.517  28.144  1.00 20.97           O  
-ATOM    185  OD2 ASP A  25      11.865 -12.564  28.057  1.00 23.58           O  
-ATOM    186  N   LYS A  26       7.174 -12.459  27.074  1.00 14.96           N  
-ATOM    187  CA  LYS A  26       6.217 -11.746  27.896  1.00 16.04           C  
-ATOM    188  C   LYS A  26       6.883 -11.215  29.141  1.00 13.85           C  
-ATOM    189  O   LYS A  26       6.259 -10.425  29.888  1.00 14.46           O  
-ATOM    190  CB  LYS A  26       5.056 -12.668  28.301  1.00 20.71           C  
-ATOM    191  CG  LYS A  26       5.424 -13.833  29.196  1.00 24.66           C  
-ATOM    192  CD  LYS A  26       4.211 -14.405  29.917  1.00 27.95           C  
-ATOM    193  CE  LYS A  26       4.553 -15.556  30.837  1.00 29.58           C  
-ATOM    194  NZ  LYS A  26       3.537 -15.692  31.924  1.00 32.29           N  
-ATOM    195  N   HIS A  27       8.139 -11.561  29.431  1.00 12.15           N  
-ATOM    196  CA  HIS A  27       8.815 -11.057  30.599  1.00 10.45           C  
-ATOM    197  C   HIS A  27       9.462  -9.687  30.367  1.00 10.06           C  
-ATOM    198  O   HIS A  27      10.008  -9.177  31.358  1.00 10.81           O  
-ATOM    199  CB  HIS A  27       9.841 -12.059  31.105  1.00 11.53           C  
-ATOM    200  CG  HIS A  27       9.287 -13.396  31.503  1.00 12.19           C  
-ATOM    201  ND1 HIS A  27       9.211 -14.465  30.635  1.00 14.58           N  
-ATOM    202  CD2 HIS A  27       8.796 -13.793  32.686  1.00 14.48           C  
-ATOM    203  CE1 HIS A  27       8.647 -15.464  31.319  1.00 14.85           C  
-ATOM    204  NE2 HIS A  27       8.410 -15.119  32.550  1.00 15.67           N  
-ATOM    205  N   THR A  28       9.508  -9.158  29.138  1.00 10.11           N  
-ATOM    206  CA  THR A  28      10.171  -7.850  28.975  1.00 10.65           C  
-ATOM    207  C   THR A  28       9.359  -7.023  27.944  1.00 10.24           C  
-ATOM    208  O   THR A  28       8.555  -7.548  27.192  1.00 11.50           O  
-ATOM    209  CB  THR A  28      11.628  -7.911  28.553  1.00 12.44           C  
-ATOM    210  OG1 THR A  28      11.764  -8.510  27.268  1.00 15.92           O  
-ATOM    211  CG2 THR A  28      12.586  -8.612  29.507  1.00 12.45           C  
-ATOM    212  N   LEU A  29       9.658  -5.731  27.955  1.00 10.89           N  
-ATOM    213  CA  LEU A  29       9.117  -4.823  26.925  1.00 10.80           C  
-ATOM    214  C   LEU A  29      10.267  -3.850  26.613  1.00 10.54           C  
-ATOM    215  O   LEU A  29      11.119  -3.557  27.442  1.00 11.41           O  
-ATOM    216  CB  LEU A  29       7.826  -4.115  27.246  1.00 11.86           C  
-ATOM    217  CG  LEU A  29       7.882  -2.946  28.228  1.00 12.37           C  
-ATOM    218  CD1 LEU A  29       6.603  -2.122  28.202  1.00 14.64           C  
-ATOM    219  CD2 LEU A  29       8.236  -3.355  29.649  1.00 15.22           C  
-ATOM    220  N   SER A  30      10.262  -3.308  25.402  1.00 10.81           N  
-ATOM    221  CA  SER A  30      11.283  -2.332  25.047  1.00 10.37           C  
-ATOM    222  C   SER A  30      10.996  -0.968  25.641  1.00  9.89           C  
-ATOM    223  O   SER A  30       9.850  -0.661  25.997  1.00  9.76           O  
-ATOM    224  CB  SER A  30      11.336  -2.225  23.511  1.00 12.57           C  
-ATOM    225  OG  SER A  30      10.203  -1.511  23.043  1.00 13.42           O  
-ATOM    226  N   LYS A  31      12.016  -0.105  25.704  1.00 10.03           N  
-ATOM    227  CA  LYS A  31      11.773   1.260  26.205  1.00 10.85           C  
-ATOM    228  C   LYS A  31      10.876   2.050  25.251  1.00 10.17           C  
-ATOM    229  O   LYS A  31      10.119   2.892  25.759  1.00 10.71           O  
-ATOM    230  CB  LYS A  31      13.089   1.943  26.529  1.00 10.57           C  
-ATOM    231  CG  LYS A  31      13.728   1.360  27.800  1.00 11.90           C  
-ATOM    232  CD  LYS A  31      15.022   2.064  28.173  1.00 12.41           C  
-ATOM    233  CE  LYS A  31      15.627   1.362  29.394  1.00 15.64           C  
-ATOM    234  NZ  LYS A  31      17.005   1.865  29.701  1.00 18.99           N  
-ATOM    235  N   LYS A  32      10.908   1.741  23.967  1.00 10.60           N  
-ATOM    236  CA  LYS A  32       9.933   2.351  23.049  1.00 12.50           C  
-ATOM    237  C   LYS A  32       8.494   2.022  23.460  1.00 11.34           C  
-ATOM    238  O   LYS A  32       7.587   2.861  23.528  1.00 11.72           O  
-ATOM    239  CB  LYS A  32      10.182   1.817  21.628  1.00 15.21           C  
-ATOM    240  CG  LYS A  32       9.303   2.462  20.567  1.00 19.91           C  
-ATOM    241  CD  LYS A  32       9.579   1.890  19.171  1.00 24.30           C  
-ATOM    242  CE  LYS A  32       8.821   2.721  18.127  1.00 27.74           C  
-ATOM    243  NZ  LYS A  32       9.206   2.367  16.730  1.00 31.05           N  
-ATOM    244  N   GLU A  33       8.322   0.736  23.757  1.00 10.93           N  
-ATOM    245  CA  GLU A  33       7.022   0.252  24.218  1.00 11.52           C  
-ATOM    246  C   GLU A  33       6.639   0.844  25.577  1.00  9.66           C  
-ATOM    247  O   GLU A  33       5.425   1.144  25.783  1.00 10.56           O  
-ATOM    248  CB  GLU A  33       6.966  -1.268  24.252  1.00 13.65           C  
-ATOM    249  CG  GLU A  33       7.046  -1.953  22.906  1.00 19.93           C  
-ATOM    250  CD  GLU A  33       7.301  -3.442  22.880  1.00 21.52           C  
-ATOM    251  OE1 GLU A  33       8.208  -4.092  23.476  1.00 21.90           O  
-ATOM    252  OE2 GLU A  33       6.554  -4.113  22.115  1.00 26.04           O  
-ATOM    253  N   LEU A  34       7.571   0.992  26.482  1.00  9.24           N  
-ATOM    254  CA  LEU A  34       7.290   1.599  27.772  1.00  8.92           C  
-ATOM    255  C   LEU A  34       6.841   3.037  27.604  1.00  9.20           C  
-ATOM    256  O   LEU A  34       5.933   3.493  28.307  1.00  9.70           O  
-ATOM    257  CB  LEU A  34       8.542   1.505  28.634  1.00  9.44           C  
-ATOM    258  CG  LEU A  34       8.414   2.094  30.039  1.00  8.51           C  
-ATOM    259  CD1 LEU A  34       7.221   1.523  30.786  1.00 10.30           C  
-ATOM    260  CD2 LEU A  34       9.723   1.887  30.769  1.00 10.81           C  
-ATOM    261  N   LYS A  35       7.472   3.784  26.685  1.00  9.26           N  
-ATOM    262  CA  LYS A  35       7.035   5.150  26.417  1.00  9.79           C  
-ATOM    263  C   LYS A  35       5.600   5.201  25.929  1.00 11.32           C  
-ATOM    264  O   LYS A  35       4.784   6.032  26.381  1.00 11.21           O  
-ATOM    265  CB  LYS A  35       7.990   5.850  25.452  1.00 11.77           C  
-ATOM    266  CG  LYS A  35       7.643   7.340  25.316  1.00 12.84           C  
-ATOM    267  CD  LYS A  35       8.481   7.976  24.200  1.00 17.49           C  
-ATOM    268  CE  LYS A  35       7.995   9.399  23.980  1.00 20.42           C  
-ATOM    269  NZ  LYS A  35       8.478  10.013  22.719  1.00 20.71           N  
-ATOM    270  N   GLU A  36       5.241   4.297  25.024  1.00 10.43           N  
-ATOM    271  CA  GLU A  36       3.880   4.161  24.551  1.00 12.55           C  
-ATOM    272  C   GLU A  36       2.930   3.810  25.684  1.00 11.03           C  
-ATOM    273  O   GLU A  36       1.815   4.402  25.791  1.00 11.52           O  
-ATOM    274  CB AGLU A  36       3.790   3.086  23.465  0.50 15.26           C  
-ATOM    275  CB BGLU A  36       3.826   3.124  23.426  0.50 14.31           C  
-ATOM    276  CG AGLU A  36       4.652   3.277  22.233  0.50 18.72           C  
-ATOM    277  CG BGLU A  36       2.409   2.826  22.971  0.50 16.32           C  
-ATOM    278  CD AGLU A  36       4.940   1.961  21.528  0.50 21.42           C  
-ATOM    279  CD BGLU A  36       2.331   1.751  21.908  0.50 19.77           C  
-ATOM    280  OE1AGLU A  36       4.053   1.080  21.521  0.50 22.84           O  
-ATOM    281  OE1BGLU A  36       3.243   1.518  21.091  0.50 22.05           O  
-ATOM    282  OE2AGLU A  36       6.054   1.803  20.975  0.50 22.29           O  
-ATOM    283  OE2BGLU A  36       1.257   1.117  21.892  0.50 20.73           O  
-ATOM    284  N   LEU A  37       3.309   2.866  26.553  1.00 10.55           N  
-ATOM    285  CA  LEU A  37       2.514   2.498  27.702  1.00  9.44           C  
-ATOM    286  C   LEU A  37       2.235   3.729  28.564  1.00  9.74           C  
-ATOM    287  O   LEU A  37       1.069   4.003  28.966  1.00  9.97           O  
-ATOM    288  CB  LEU A  37       3.300   1.405  28.453  1.00 10.09           C  
-ATOM    289  CG  LEU A  37       2.691   0.823  29.739  1.00  9.79           C  
-ATOM    290  CD1 LEU A  37       3.486  -0.455  30.057  1.00  9.91           C  
-ATOM    291  CD2 LEU A  37       2.731   1.749  30.939  1.00 10.32           C  
-ATOM    292  N   ILE A  38       3.242   4.503  28.906  1.00  9.40           N  
-ATOM    293  CA  ILE A  38       3.006   5.687  29.750  1.00  9.71           C  
-ATOM    294  C   ILE A  38       2.065   6.677  29.069  1.00 10.74           C  
-ATOM    295  O   ILE A  38       1.148   7.203  29.742  1.00 11.24           O  
-ATOM    296  CB  ILE A  38       4.362   6.354  30.080  1.00 12.12           C  
-ATOM    297  CG1 ILE A  38       5.222   5.429  30.942  1.00 12.96           C  
-ATOM    298  CG2 ILE A  38       4.194   7.757  30.689  1.00 13.21           C  
-ATOM    299  CD1 ILE A  38       4.665   4.980  32.239  1.00 16.53           C  
-ATOM    300  N   GLN A  39       2.259   6.938  27.796  1.00 10.07           N  
-ATOM    301  CA  GLN A  39       1.434   7.938  27.122  1.00 11.90           C  
-ATOM    302  C   GLN A  39       0.010   7.466  26.946  1.00 11.28           C  
-ATOM    303  O   GLN A  39      -0.951   8.287  26.948  1.00 14.18           O  
-ATOM    304  CB  GLN A  39       2.056   8.251  25.759  1.00 13.66           C  
-ATOM    305  CG  GLN A  39       3.373   8.989  25.802  1.00 16.95           C  
-ATOM    306  CD  GLN A  39       4.093   9.116  24.471  1.00 21.11           C  
-ATOM    307  OE1 GLN A  39       3.922   8.281  23.581  1.00 23.98           O  
-ATOM    308  NE2 GLN A  39       4.928  10.134  24.327  1.00 25.01           N  
-ATOM    309  N   LYS A  40      -0.234   6.169  26.813  1.00 10.70           N  
-ATOM    310  CA  LYS A  40      -1.577   5.668  26.645  1.00 11.67           C  
-ATOM    311  C   LYS A  40      -2.285   5.328  27.924  1.00  9.85           C  
-ATOM    312  O   LYS A  40      -3.535   5.458  27.978  1.00 13.77           O  
-ATOM    313  CB  LYS A  40      -1.527   4.419  25.720  1.00 14.02           C  
-ATOM    314  CG  LYS A  40      -1.066   4.865  24.325  1.00 20.51           C  
-ATOM    315  CD  LYS A  40      -1.239   3.828  23.240  1.00 24.41           C  
-ATOM    316  CE  LYS A  40      -1.459   4.446  21.871  1.00 29.04           C  
-ATOM    317  NZ  LYS A  40      -0.917   5.835  21.809  1.00 32.85           N  
-ATOM    318  N   GLU A  41      -1.569   4.943  28.979  1.00  9.59           N  
-ATOM    319  CA  GLU A  41      -2.203   4.403  30.161  1.00  8.85           C  
-ATOM    320  C   GLU A  41      -2.338   5.403  31.280  1.00  8.28           C  
-ATOM    321  O   GLU A  41      -2.994   5.096  32.284  1.00  9.81           O  
-ATOM    322  CB  GLU A  41      -1.411   3.169  30.622  1.00  9.43           C  
-ATOM    323  CG  GLU A  41      -1.379   2.042  29.599  1.00 10.66           C  
-ATOM    324  CD  GLU A  41      -2.713   1.464  29.235  1.00 11.38           C  
-ATOM    325  OE1 GLU A  41      -3.653   1.493  30.038  1.00 11.85           O  
-ATOM    326  OE2 GLU A  41      -2.810   0.898  28.101  1.00 12.47           O  
-ATOM    327  N   LEU A  42      -1.710   6.544  31.202  1.00  8.97           N  
-ATOM    328  CA  LEU A  42      -1.808   7.600  32.207  1.00  8.87           C  
-ATOM    329  C   LEU A  42      -2.396   8.869  31.548  1.00  8.39           C  
-ATOM    330  O   LEU A  42      -2.085   9.134  30.383  1.00  9.77           O  
-ATOM    331  CB  LEU A  42      -0.428   7.974  32.746  1.00  9.80           C  
-ATOM    332  CG  LEU A  42       0.277   6.840  33.481  1.00 10.27           C  
-ATOM    333  CD1 LEU A  42       1.667   7.239  33.925  1.00 11.98           C  
-ATOM    334  CD2 LEU A  42      -0.531   6.396  34.694  1.00 10.80           C  
-ATOM    335  N   THR A  43      -3.095   9.655  32.344  1.00  9.41           N  
-ATOM    336  CA  THR A  43      -3.571  10.956  31.804  1.00  8.61           C  
-ATOM    337  C   THR A  43      -2.431  11.945  31.977  1.00  9.63           C  
-ATOM    338  O   THR A  43      -2.438  12.790  32.894  1.00  9.83           O  
-ATOM    339  CB  THR A  43      -4.862  11.405  32.495  1.00  9.96           C  
-ATOM    340  OG1 THR A  43      -5.844  10.369  32.264  1.00 10.67           O  
-ATOM    341  CG2 THR A  43      -5.399  12.724  31.939  1.00 10.48           C  
-ATOM    342  N   ILE A  44      -1.433  11.804  31.129  1.00  8.77           N  
-ATOM    343  CA  ILE A  44      -0.194  12.577  31.267  1.00  9.87           C  
-ATOM    344  C   ILE A  44      -0.064  13.608  30.167  1.00  9.30           C  
-ATOM    345  O   ILE A  44       0.909  14.362  30.162  1.00 10.20           O  
-ATOM    346  CB  ILE A  44       0.987  11.582  31.348  1.00  9.84           C  
-ATOM    347  CG1 ILE A  44       2.317  12.223  31.815  1.00 10.72           C  
-ATOM    348  CG2 ILE A  44       1.178  10.852  30.037  1.00 11.72           C  
-ATOM    349  CD1 ILE A  44       3.308  11.190  32.315  1.00 11.70           C  
-ATOM    350  N   GLY A  45      -1.031  13.682  29.256  1.00 10.11           N  
-ATOM    351  CA  GLY A  45      -0.876  14.581  28.122  1.00 11.05           C  
-ATOM    352  C   GLY A  45      -0.688  16.028  28.518  1.00 12.14           C  
-ATOM    353  O   GLY A  45       0.037  16.753  27.779  1.00 16.66           O  
-ATOM    354  N   SER A  46      -1.201  16.534  29.595  1.00 10.75           N  
-ATOM    355  CA  SER A  46      -1.015  17.939  29.973  1.00 11.74           C  
-ATOM    356  C   SER A  46       0.342  18.173  30.592  1.00 10.72           C  
-ATOM    357  O   SER A  46       0.726  19.352  30.820  1.00 12.13           O  
-ATOM    358  CB  SER A  46      -2.121  18.364  30.940  1.00 12.30           C  
-ATOM    359  OG  SER A  46      -1.908  17.866  32.207  1.00 12.89           O  
-ATOM    360  N   LYS A  47       1.099  17.112  30.909  1.00 10.73           N  
-ATOM    361  CA  LYS A  47       2.309  17.237  31.678  1.00 11.68           C  
-ATOM    362  C   LYS A  47       3.565  16.835  30.941  1.00 11.35           C  
-ATOM    363  O   LYS A  47       4.663  16.855  31.492  1.00 12.36           O  
-ATOM    364  CB  LYS A  47       2.215  16.319  32.928  1.00 14.48           C  
-ATOM    365  CG  LYS A  47       1.052  16.737  33.815  1.00 19.09           C  
-ATOM    366  CD  LYS A  47       0.826  15.909  35.047  1.00 23.25           C  
-ATOM    367  CE  LYS A  47      -0.553  16.280  35.582  1.00 26.98           C  
-ATOM    368  NZ  LYS A  47      -0.631  17.701  36.001  1.00 29.76           N  
-ATOM    369  N   LEU A  48       3.419  16.403  29.684  1.00 13.93           N  
-ATOM    370  CA  LEU A  48       4.585  15.876  28.945  1.00 14.83           C  
-ATOM    371  C   LEU A  48       5.673  16.906  28.698  1.00 16.10           C  
-ATOM    372  O   LEU A  48       6.811  16.436  28.476  1.00 17.75           O  
-ATOM    373  CB  LEU A  48       4.133  15.139  27.689  1.00 15.65           C  
-ATOM    374  CG  LEU A  48       3.461  13.779  27.913  1.00 14.72           C  
-ATOM    375  CD1 LEU A  48       2.771  13.376  26.608  1.00 16.78           C  
-ATOM    376  CD2 LEU A  48       4.368  12.664  28.379  1.00 15.22           C  
-ATOM    377  N   GLN A  49       5.397  18.200  28.771  1.00 15.08           N  
-ATOM    378  CA  GLN A  49       6.431  19.199  28.612  1.00 16.62           C  
-ATOM    379  C   GLN A  49       6.953  19.716  29.934  1.00 14.64           C  
-ATOM    380  O   GLN A  49       7.816  20.620  29.909  1.00 16.03           O  
-ATOM    381  CB  GLN A  49       5.876  20.356  27.772  1.00 19.78           C  
-ATOM    382  CG  GLN A  49       5.367  19.898  26.416  1.00 26.23           C  
-ATOM    383  CD  GLN A  49       6.382  19.885  25.307  1.00 29.48           C  
-ATOM    384  OE1 GLN A  49       7.570  19.614  25.501  1.00 32.75           O  
-ATOM    385  NE2 GLN A  49       5.910  20.188  24.095  1.00 30.41           N  
-ATOM    386  N   ASP A  50       6.520  19.183  31.061  1.00 12.89           N  
-ATOM    387  CA  ASP A  50       7.093  19.526  32.357  1.00 12.08           C  
-ATOM    388  C   ASP A  50       8.552  19.156  32.281  1.00  9.92           C  
-ATOM    389  O   ASP A  50       8.950  18.152  31.704  1.00 11.95           O  
-ATOM    390  CB  ASP A  50       6.381  18.677  33.410  1.00 14.01           C  
-ATOM    391  CG  ASP A  50       7.110  18.613  34.721  1.00 17.43           C  
-ATOM    392  OD1 ASP A  50       6.878  19.590  35.482  1.00 20.67           O  
-ATOM    393  OD2 ASP A  50       7.907  17.674  34.962  1.00 18.35           O  
-ATOM    394  N   ALA A  51       9.399  19.986  32.896  1.00 10.99           N  
-ATOM    395  CA  ALA A  51      10.830  19.806  32.740  1.00 12.06           C  
-ATOM    396  C   ALA A  51      11.309  18.415  33.110  1.00 11.98           C  
-ATOM    397  O   ALA A  51      12.061  17.761  32.363  1.00 13.23           O  
-ATOM    398  CB  ALA A  51      11.610  20.847  33.520  1.00 12.71           C  
-ATOM    399  N   GLU A  52      10.891  17.878  34.248  1.00 10.90           N  
-ATOM    400  CA  GLU A  52      11.389  16.568  34.646  1.00 11.65           C  
-ATOM    401  C   GLU A  52      10.754  15.435  33.867  1.00 10.18           C  
-ATOM    402  O   GLU A  52      11.441  14.499  33.479  1.00 11.59           O  
-ATOM    403  CB  GLU A  52      11.177  16.419  36.160  1.00 13.55           C  
-ATOM    404  CG  GLU A  52      12.087  17.382  36.916  1.00 15.11           C  
-ATOM    405  CD  GLU A  52      11.676  17.454  38.372  1.00 20.07           C  
-ATOM    406  OE1 GLU A  52      10.691  18.155  38.635  1.00 23.92           O  
-ATOM    407  OE2 GLU A  52      12.439  16.843  39.130  1.00 22.77           O  
-ATOM    408  N   ILE A  53       9.445  15.519  33.600  1.00 10.19           N  
-ATOM    409  CA  ILE A  53       8.811  14.418  32.854  1.00 10.60           C  
-ATOM    410  C   ILE A  53       9.364  14.332  31.457  1.00 10.16           C  
-ATOM    411  O   ILE A  53       9.622  13.236  30.952  1.00 10.91           O  
-ATOM    412  CB  ILE A  53       7.303  14.586  32.852  1.00 10.34           C  
-ATOM    413  CG1 ILE A  53       6.744  14.356  34.246  1.00 11.56           C  
-ATOM    414  CG2 ILE A  53       6.611  13.655  31.859  1.00 12.05           C  
-ATOM    415  CD1 ILE A  53       5.258  14.634  34.392  1.00 12.75           C  
-ATOM    416  N   ALA A  54       9.624  15.470  30.817  1.00 10.05           N  
-ATOM    417  CA  ALA A  54      10.118  15.451  29.437  1.00 10.52           C  
-ATOM    418  C   ALA A  54      11.473  14.767  29.392  1.00 11.00           C  
-ATOM    419  O   ALA A  54      11.793  14.070  28.420  1.00 12.15           O  
-ATOM    420  CB  ALA A  54      10.231  16.871  28.958  1.00 11.86           C  
-ATOM    421  N   ARG A  55      12.302  14.895  30.401  1.00 11.04           N  
-ATOM    422  CA  ARG A  55      13.602  14.235  30.397  1.00 11.69           C  
-ATOM    423  C   ARG A  55      13.435  12.746  30.560  1.00 12.08           C  
-ATOM    424  O   ARG A  55      14.195  11.958  29.972  1.00 12.67           O  
-ATOM    425  CB  ARG A  55      14.499  14.781  31.492  1.00 14.20           C  
-ATOM    426  CG  ARG A  55      15.427  15.868  30.918  1.00 15.63           C  
-ATOM    427  CD  ARG A  55      14.649  17.139  30.650  1.00 17.82           C  
-ATOM    428  NE  ARG A  55      14.221  17.324  29.268  1.00 17.02           N  
-ATOM    429  CZ  ARG A  55      13.471  18.372  28.944  1.00 17.39           C  
-ATOM    430  NH1 ARG A  55      13.083  19.147  29.952  1.00 15.49           N  
-ATOM    431  NH2 ARG A  55      13.157  18.544  27.673  1.00 16.93           N  
-ATOM    432  N   LEU A  56      12.469  12.258  31.342  1.00 12.26           N  
-ATOM    433  CA  LEU A  56      12.247  10.805  31.436  1.00 13.39           C  
-ATOM    434  C   LEU A  56      11.780  10.292  30.082  1.00 12.80           C  
-ATOM    435  O   LEU A  56      12.227   9.200  29.626  1.00 14.17           O  
-ATOM    436  CB  LEU A  56      11.139  10.577  32.457  1.00 16.62           C  
-ATOM    437  CG  LEU A  56      11.417  10.607  33.944  1.00 20.81           C  
-ATOM    438  CD1 LEU A  56      10.347   9.741  34.648  1.00 23.46           C  
-ATOM    439  CD2 LEU A  56      12.801  10.156  34.360  1.00 23.20           C  
-ATOM    448  N   GLU A  58      12.437  11.557  27.105  1.00 13.21           N  
-ATOM    449  CA  GLU A  58      13.576  11.622  26.204  1.00 14.99           C  
-ATOM    450  C   GLU A  58      14.497  10.460  26.484  1.00 13.45           C  
-ATOM    451  O   GLU A  58      15.109   9.930  25.522  1.00 15.00           O  
-ATOM    452  CB  GLU A  58      14.337  12.943  26.337  1.00 15.35           C  
-ATOM    453  CG  GLU A  58      13.683  14.159  25.724  1.00 19.83           C  
-ATOM    454  CD  GLU A  58      14.138  15.492  26.286  1.00 22.37           C  
-ATOM    455  OE1 GLU A  58      14.999  15.620  27.167  1.00 22.08           O  
-ATOM    456  OE2 GLU A  58      13.510  16.485  25.834  1.00 27.24           O  
-ATOM    457  N   ASP A  59      14.701  10.107  27.737  1.00 12.08           N  
-ATOM    458  CA  ASP A  59      15.609   8.991  28.019  1.00 14.59           C  
-ATOM    459  C   ASP A  59      15.105   7.668  27.465  1.00 12.78           C  
-ATOM    460  O   ASP A  59      15.868   6.871  26.931  1.00 13.92           O  
-ATOM    461  CB  ASP A  59      15.931   8.902  29.516  1.00 18.14           C  
-ATOM    462  CG  ASP A  59      17.233   8.089  29.638  1.00 24.10           C  
-ATOM    463  OD1 ASP A  59      18.328   8.509  29.168  1.00 27.27           O  
-ATOM    464  OD2 ASP A  59      17.182   6.993  30.190  1.00 28.61           O  
-ATOM    465  N   LEU A  60      13.784   7.488  27.525  1.00 12.02           N  
-ATOM    466  CA  LEU A  60      13.206   6.294  26.902  1.00 12.10           C  
-ATOM    467  C   LEU A  60      13.480   6.311  25.410  1.00 12.17           C  
-ATOM    468  O   LEU A  60      13.891   5.292  24.858  1.00 14.14           O  
-ATOM    469  CB  LEU A  60      11.733   6.172  27.173  1.00 11.42           C  
-ATOM    470  CG  LEU A  60      11.331   5.972  28.643  1.00 12.40           C  
-ATOM    471  CD1 LEU A  60       9.818   5.836  28.804  1.00 13.24           C  
-ATOM    472  CD2 LEU A  60      11.994   4.714  29.196  1.00 14.89           C  
-ATOM    473  N   ASP A  61      13.248   7.413  24.722  1.00 13.65           N  
-ATOM    474  CA  ASP A  61      13.506   7.457  23.277  1.00 13.91           C  
-ATOM    475  C   ASP A  61      14.991   7.313  22.995  1.00 13.43           C  
-ATOM    476  O   ASP A  61      15.294   6.539  22.057  1.00 14.06           O  
-ATOM    477  CB  ASP A  61      13.040   8.808  22.741  1.00 18.75           C  
-ATOM    478  CG  ASP A  61      11.573   8.917  22.384  1.00 23.60           C  
-ATOM    479  OD1 ASP A  61      10.916   7.939  21.986  1.00 28.67           O  
-ATOM    480  OD2 ASP A  61      11.030  10.035  22.459  1.00 27.28           O  
-ATOM    481  N   ARG A  62      15.889   7.841  23.773  1.00 13.37           N  
-ATOM    482  CA  ARG A  62      17.318   7.688  23.517  1.00 14.74           C  
-ATOM    483  C   ARG A  62      17.776   6.257  23.692  1.00 13.14           C  
-ATOM    484  O   ARG A  62      18.757   5.836  23.074  1.00 14.87           O  
-ATOM    485  CB  ARG A  62      18.052   8.615  24.495  1.00 17.91           C  
-ATOM    486  CG  ARG A  62      18.084  10.054  24.010  1.00 24.06           C  
-ATOM    487  CD  ARG A  62      19.290  10.813  24.538  1.00 29.58           C  
-ATOM    488  NE  ARG A  62      20.043  11.569  23.552  1.00 33.45           N  
-ATOM    489  CZ  ARG A  62      19.601  12.363  22.587  1.00 34.68           C  
-ATOM    490  NH1 ARG A  62      18.311  12.586  22.375  1.00 36.48           N  
-ATOM    491  NH2 ARG A  62      20.470  12.965  21.779  1.00 36.36           N  
-ATOM    492  N   ASN A  63      17.060   5.461  24.500  1.00 12.19           N  
-ATOM    493  CA  ASN A  63      17.373   4.073  24.775  1.00 12.31           C  
-ATOM    494  C   ASN A  63      16.262   3.159  24.318  1.00 11.50           C  
-ATOM    495  O   ASN A  63      16.043   2.075  24.892  1.00 11.63           O  
-ATOM    496  CB  ASN A  63      17.581   3.886  26.299  1.00 13.22           C  
-ATOM    497  CG  ASN A  63      18.810   4.684  26.659  1.00 14.20           C  
-ATOM    498  OD1 ASN A  63      19.944   4.288  26.330  1.00 15.11           O  
-ATOM    499  ND2 ASN A  63      18.635   5.848  27.261  1.00 18.32           N  
-ATOM    500  N   LYS A  64      15.597   3.509  23.229  1.00 11.57           N  
-ATOM    501  CA  LYS A  64      14.360   2.874  22.790  1.00 11.42           C  
-ATOM    502  C   LYS A  64      14.406   1.392  22.553  1.00 11.97           C  
-ATOM    503  O   LYS A  64      13.391   0.696  22.704  1.00 11.94           O  
-ATOM    504  CB  LYS A  64      13.901   3.583  21.490  1.00 13.52           C  
-ATOM    505  CG  LYS A  64      14.879   3.429  20.324  1.00 13.24           C  
-ATOM    506  CD  LYS A  64      14.382   4.236  19.121  1.00 14.96           C  
-ATOM    507  CE ALYS A  64      15.284   3.994  17.912  0.50 15.65           C  
-ATOM    508  CE BLYS A  64      15.476   4.331  18.044  0.50 13.53           C  
-ATOM    509  NZ ALYS A  64      15.050   5.052  16.892  0.50 17.56           N  
-ATOM    510  NZ BLYS A  64      15.643   3.020  17.353  0.50 14.70           N  
-ATOM    511  N   ASP A  65      15.564   0.862  22.165  1.00 12.09           N  
-ATOM    512  CA  ASP A  65      15.668  -0.572  21.862  1.00 13.12           C  
-ATOM    513  C   ASP A  65      16.099  -1.402  23.059  1.00 12.89           C  
-ATOM    514  O   ASP A  65      16.278  -2.629  22.876  1.00 17.23           O  
-ATOM    515  CB  ASP A  65      16.600  -0.772  20.665  1.00 15.62           C  
-ATOM    516  CG  ASP A  65      16.014  -0.129  19.416  1.00 18.19           C  
-ATOM    517  OD1 ASP A  65      14.844  -0.448  19.105  1.00 20.67           O  
-ATOM    518  OD2 ASP A  65      16.688   0.718  18.776  1.00 20.33           O  
-ATOM    519  N   GLN A  66      16.416  -0.788  24.156  1.00 12.36           N  
-ATOM    520  CA  GLN A  66      16.778  -1.538  25.352  1.00 12.99           C  
-ATOM    521  C   GLN A  66      15.546  -2.187  25.969  1.00 12.28           C  
-ATOM    522  O   GLN A  66      14.427  -1.622  25.924  1.00 13.90           O  
-ATOM    523  CB  GLN A  66      17.434  -0.623  26.362  1.00 13.18           C  
-ATOM    524  CG  GLN A  66      18.801  -0.142  25.866  1.00 15.78           C  
-ATOM    525  CD  GLN A  66      19.495   0.662  26.931  1.00 19.01           C  
-ATOM    526  OE1 GLN A  66      18.969   1.205  27.877  1.00 18.42           O  
-ATOM    527  NE2 GLN A  66      20.831   0.735  26.826  1.00 21.06           N  
-ATOM    528  N   GLU A  67      15.673  -3.385  26.503  1.00 12.89           N  
-ATOM    529  CA  GLU A  67      14.581  -4.109  27.141  1.00 12.09           C  
-ATOM    530  C   GLU A  67      14.481  -3.728  28.603  1.00 11.04           C  
-ATOM    531  O   GLU A  67      15.445  -3.305  29.205  1.00 12.48           O  
-ATOM    532  CB  GLU A  67      14.745  -5.639  27.026  1.00 14.49           C  
-ATOM    533  CG  GLU A  67      14.496  -6.041  25.562  1.00 18.19           C  
-ATOM    534  CD  GLU A  67      13.108  -5.907  24.998  1.00 20.54           C  
-ATOM    535  OE1 GLU A  67      12.107  -6.329  25.625  1.00 21.34           O  
-ATOM    536  OE2 GLU A  67      12.881  -5.422  23.852  1.00 23.12           O  
-ATOM    537  N   VAL A  68      13.285  -3.931  29.158  1.00 10.37           N  
-ATOM    538  CA  VAL A  68      12.939  -3.637  30.538  1.00 10.29           C  
-ATOM    539  C   VAL A  68      12.204  -4.869  31.105  1.00  8.78           C  
-ATOM    540  O   VAL A  68      11.252  -5.284  30.464  1.00 10.11           O  
-ATOM    541  CB  VAL A  68      11.987  -2.406  30.506  1.00 12.30           C  
-ATOM    542  CG1 VAL A  68      11.558  -2.001  31.903  1.00 13.01           C  
-ATOM    543  CG2 VAL A  68      12.549  -1.226  29.724  1.00 13.38           C  
-ATOM    544  N   ASN A  69      12.668  -5.325  32.252  1.00  7.93           N  
-ATOM    545  CA  ASN A  69      11.946  -6.428  32.910  1.00  7.86           C  
-ATOM    546  C   ASN A  69      10.912  -5.828  33.856  1.00  7.77           C  
-ATOM    547  O   ASN A  69      10.763  -4.608  34.002  1.00  7.86           O  
-ATOM    548  CB  ASN A  69      12.903  -7.386  33.573  1.00  8.49           C  
-ATOM    549  CG  ASN A  69      13.689  -6.823  34.742  1.00  8.82           C  
-ATOM    550  OD1 ASN A  69      13.409  -5.720  35.201  1.00  9.81           O  
-ATOM    551  ND2 ASN A  69      14.658  -7.588  35.223  1.00 10.04           N  
-ATOM    552  N   PHE A  70      10.129  -6.704  34.521  1.00  8.08           N  
-ATOM    553  CA  PHE A  70       9.079  -6.240  35.412  1.00  8.10           C  
-ATOM    554  C   PHE A  70       9.616  -5.398  36.559  1.00  7.65           C  
-ATOM    555  O   PHE A  70       9.080  -4.296  36.851  1.00  8.10           O  
-ATOM    556  CB  PHE A  70       8.261  -7.432  35.926  1.00  8.35           C  
-ATOM    557  CG  PHE A  70       7.189  -6.980  36.879  1.00  8.25           C  
-ATOM    558  CD1 PHE A  70       6.017  -6.452  36.446  1.00  8.50           C  
-ATOM    559  CD2 PHE A  70       7.386  -7.071  38.238  1.00  9.70           C  
-ATOM    560  CE1 PHE A  70       5.026  -6.040  37.347  1.00  9.78           C  
-ATOM    561  CE2 PHE A  70       6.427  -6.661  39.137  1.00 10.52           C  
-ATOM    562  CZ  PHE A  70       5.241  -6.146  38.701  1.00 10.44           C  
-ATOM    563  N   GLN A  71      10.675  -5.825  37.190  1.00  7.44           N  
-ATOM    564  CA  GLN A  71      11.257  -5.057  38.287  1.00  8.50           C  
-ATOM    565  C   GLN A  71      11.651  -3.658  37.826  1.00  8.15           C  
-ATOM    566  O   GLN A  71      11.373  -2.668  38.552  1.00  8.68           O  
-ATOM    567  CB  GLN A  71      12.481  -5.790  38.853  1.00  8.52           C  
-ATOM    568  CG  GLN A  71      13.318  -4.993  39.859  1.00  9.66           C  
-ATOM    569  CD  GLN A  71      12.620  -4.812  41.178  1.00  9.39           C  
-ATOM    570  OE1 GLN A  71      12.824  -5.612  42.097  1.00 11.83           O  
-ATOM    571  NE2 GLN A  71      11.828  -3.771  41.357  1.00 10.27           N  
-ATOM    572  N   GLU A  72      12.286  -3.537  36.680  1.00  8.44           N  
-ATOM    573  CA  GLU A  72      12.720  -2.225  36.194  1.00  8.59           C  
-ATOM    574  C   GLU A  72      11.523  -1.381  35.793  1.00  7.80           C  
-ATOM    575  O   GLU A  72      11.557  -0.131  36.009  1.00  8.51           O  
-ATOM    576  CB  GLU A  72      13.649  -2.470  34.983  1.00  9.07           C  
-ATOM    577  CG  GLU A  72      14.964  -3.108  35.428  1.00 11.55           C  
-ATOM    578  CD  GLU A  72      15.631  -3.850  34.284  1.00 13.09           C  
-ATOM    579  OE1 GLU A  72      15.181  -3.923  33.152  1.00 14.35           O  
-ATOM    580  OE2 GLU A  72      16.728  -4.452  34.507  1.00 16.81           O  
-ATOM    581  N   TYR A  73      10.484  -1.951  35.246  1.00  7.43           N  
-ATOM    582  CA  TYR A  73       9.226  -1.248  34.947  1.00  8.26           C  
-ATOM    583  C   TYR A  73       8.645  -0.677  36.207  1.00  7.99           C  
-ATOM    584  O   TYR A  73       8.229   0.500  36.222  1.00  8.33           O  
-ATOM    585  CB  TYR A  73       8.294  -2.194  34.222  1.00  8.17           C  
-ATOM    586  CG  TYR A  73       6.825  -1.940  34.396  1.00  7.76           C  
-ATOM    587  CD1 TYR A  73       6.112  -1.029  33.635  1.00  7.91           C  
-ATOM    588  CD2 TYR A  73       6.077  -2.714  35.302  1.00  7.70           C  
-ATOM    589  CE1 TYR A  73       4.746  -0.876  33.766  1.00  8.31           C  
-ATOM    590  CE2 TYR A  73       4.700  -2.548  35.425  1.00  8.04           C  
-ATOM    591  CZ  TYR A  73       4.035  -1.659  34.641  1.00  7.92           C  
-ATOM    592  OH  TYR A  73       2.666  -1.498  34.733  1.00  9.08           O  
-ATOM    593  N   VAL A  74       8.534  -1.453  37.277  1.00  8.14           N  
-ATOM    594  CA  VAL A  74       7.980  -0.965  38.530  1.00  7.65           C  
-ATOM    595  C   VAL A  74       8.838   0.148  39.090  1.00  7.78           C  
-ATOM    596  O   VAL A  74       8.323   1.207  39.530  1.00  8.44           O  
-ATOM    597  CB  VAL A  74       7.771  -2.108  39.528  1.00  8.90           C  
-ATOM    598  CG1 VAL A  74       7.323  -1.547  40.854  1.00 10.18           C  
-ATOM    599  CG2 VAL A  74       6.724  -3.097  39.016  1.00  9.34           C  
-ATOM    600  N   THR A  75      10.176  -0.043  39.111  1.00  7.64           N  
-ATOM    601  CA  THR A  75      11.050   1.036  39.570  1.00  7.99           C  
-ATOM    602  C   THR A  75      10.797   2.319  38.799  1.00  7.92           C  
-ATOM    603  O   THR A  75      10.781   3.407  39.377  1.00  8.73           O  
-ATOM    604  CB  THR A  75      12.527   0.589  39.525  1.00  8.77           C  
-ATOM    605  OG1 THR A  75      12.642  -0.526  40.468  1.00  8.59           O  
-ATOM    606  CG2 THR A  75      13.518   1.678  39.788  1.00  9.51           C  
-ATOM    607  N   PHE A  76      10.705   2.214  37.491  1.00  8.08           N  
-ATOM    608  CA  PHE A  76      10.460   3.375  36.622  1.00  9.10           C  
-ATOM    609  C   PHE A  76       9.159   4.041  36.964  1.00  8.58           C  
-ATOM    610  O   PHE A  76       9.072   5.277  37.028  1.00  9.09           O  
-ATOM    611  CB  PHE A  76      10.475   2.890  35.150  1.00  9.77           C  
-ATOM    612  CG  PHE A  76      10.127   4.015  34.206  1.00 11.80           C  
-ATOM    613  CD1 PHE A  76      11.108   4.834  33.726  1.00 14.45           C  
-ATOM    614  CD2 PHE A  76       8.826   4.316  33.822  1.00 14.68           C  
-ATOM    615  CE1 PHE A  76      10.842   5.898  32.856  1.00 17.24           C  
-ATOM    616  CE2 PHE A  76       8.526   5.349  32.943  1.00 17.37           C  
-ATOM    617  CZ  PHE A  76       9.561   6.127  32.492  1.00 17.67           C  
-ATOM    618  N   LEU A  77       8.088   3.276  37.209  1.00  8.54           N  
-ATOM    619  CA  LEU A  77       6.828   3.898  37.610  1.00  9.64           C  
-ATOM    620  C   LEU A  77       6.985   4.657  38.892  1.00  8.60           C  
-ATOM    621  O   LEU A  77       6.326   5.701  39.080  1.00  9.38           O  
-ATOM    622  CB  LEU A  77       5.719   2.879  37.765  1.00  9.87           C  
-ATOM    623  CG  LEU A  77       5.226   2.263  36.445  1.00 12.68           C  
-ATOM    624  CD1 LEU A  77       4.106   1.264  36.768  1.00 14.71           C  
-ATOM    625  CD2 LEU A  77       4.777   3.305  35.441  1.00 13.76           C  
-ATOM    626  N   GLY A  78       7.787   4.190  39.824  1.00  8.59           N  
-ATOM    627  CA  GLY A  78       8.057   4.946  41.042  1.00  8.97           C  
-ATOM    628  C   GLY A  78       8.765   6.263  40.752  1.00  8.00           C  
-ATOM    629  O   GLY A  78       8.372   7.336  41.281  1.00  9.33           O  
-ATOM    630  N   ALA A  79       9.744   6.236  39.860  1.00  8.79           N  
-ATOM    631  CA  ALA A  79      10.443   7.459  39.474  1.00  8.66           C  
-ATOM    632  C   ALA A  79       9.476   8.439  38.854  1.00  8.61           C  
-ATOM    633  O   ALA A  79       9.523   9.660  39.149  1.00  9.83           O  
-ATOM    634  CB  ALA A  79      11.568   7.102  38.520  1.00  9.74           C  
-ATOM    635  N   LEU A  80       8.620   7.964  37.952  1.00  8.36           N  
-ATOM    636  CA  LEU A  80       7.677   8.862  37.294  1.00  9.74           C  
-ATOM    637  C   LEU A  80       6.681   9.376  38.291  1.00  9.04           C  
-ATOM    638  O   LEU A  80       6.343  10.579  38.251  1.00  9.68           O  
-ATOM    639  CB  LEU A  80       6.960   8.048  36.212  1.00 10.30           C  
-ATOM    640  CG  LEU A  80       5.826   8.797  35.487  1.00 11.08           C  
-ATOM    641  CD1 LEU A  80       6.338  10.076  34.855  1.00 13.31           C  
-ATOM    642  CD2 LEU A  80       5.206   7.918  34.425  1.00 14.04           C  
-ATOM    643  N   ALA A  81       6.126   8.537  39.174  1.00  9.24           N  
-ATOM    644  CA  ALA A  81       5.159   9.033  40.154  1.00  9.03           C  
-ATOM    645  C   ALA A  81       5.681  10.198  40.946  1.00  8.61           C  
-ATOM    646  O   ALA A  81       4.939  11.154  41.243  1.00  9.31           O  
-ATOM    647  CB  ALA A  81       4.704   7.913  41.061  1.00  9.52           C  
-ATOM    648  N   LEU A  82       6.951  10.182  41.336  1.00  8.54           N  
-ATOM    649  CA  LEU A  82       7.497  11.295  42.097  1.00 10.14           C  
-ATOM    650  C   LEU A  82       7.377  12.636  41.389  1.00 10.49           C  
-ATOM    651  O   LEU A  82       7.245  13.673  42.088  1.00 12.23           O  
-ATOM    652  CB  LEU A  82       8.982  11.016  42.381  1.00 10.20           C  
-ATOM    653  CG  LEU A  82       9.216   9.977  43.476  1.00 11.35           C  
-ATOM    654  CD1 LEU A  82      10.598   9.364  43.412  1.00 13.93           C  
-ATOM    655  CD2 LEU A  82       8.977  10.583  44.879  1.00 11.23           C  
-ATOM    656  N   ILE A  83       7.406  12.666  40.082  1.00  9.56           N  
-ATOM    657  CA  ILE A  83       7.341  13.917  39.336  1.00 12.13           C  
-ATOM    658  C   ILE A  83       6.010  14.082  38.662  1.00 11.17           C  
-ATOM    659  O   ILE A  83       5.781  15.111  37.985  1.00 14.41           O  
-ATOM    660  CB  ILE A  83       8.480  14.006  38.310  1.00 13.02           C  
-ATOM    661  CG1 ILE A  83       8.511  12.822  37.334  1.00 11.71           C  
-ATOM    662  CG2 ILE A  83       9.818  14.095  39.067  1.00 14.70           C  
-ATOM    663  CD1 ILE A  83       9.585  12.945  36.264  1.00 13.83           C  
-ATOM    664  N   TYR A  84       5.045  13.198  38.763  1.00 11.74           N  
-ATOM    665  CA  TYR A  84       3.767  13.244  38.108  1.00 11.09           C  
-ATOM    666  C   TYR A  84       2.614  13.243  39.059  1.00 11.96           C  
-ATOM    667  O   TYR A  84       1.573  13.890  38.764  1.00 13.66           O  
-ATOM    668  CB  TYR A  84       3.707  12.012  37.186  1.00 12.44           C  
-ATOM    669  CG  TYR A  84       2.369  11.663  36.628  1.00 11.44           C  
-ATOM    670  CD1 TYR A  84       1.747  12.436  35.657  1.00 11.72           C  
-ATOM    671  CD2 TYR A  84       1.713  10.520  37.070  1.00 12.27           C  
-ATOM    672  CE1 TYR A  84       0.501  12.114  35.168  1.00 11.20           C  
-ATOM    673  CE2 TYR A  84       0.477  10.172  36.575  1.00 10.91           C  
-ATOM    674  CZ  TYR A  84      -0.118  10.965  35.594  1.00 10.32           C  
-ATOM    675  OH  TYR A  84      -1.360  10.664  35.077  1.00 12.37           O  
-ATOM    676  N   ASN A  85       2.627  12.456  40.122  1.00 12.77           N  
-ATOM    677  CA  ASN A  85       1.478  12.355  41.021  1.00 13.50           C  
-ATOM    678  C   ASN A  85       1.401  13.518  41.957  1.00 13.18           C  
-ATOM    679  O   ASN A  85       2.337  13.907  42.619  1.00 13.50           O  
-ATOM    680  CB  ASN A  85       1.616  10.970  41.679  1.00 15.02           C  
-ATOM    681  CG  ASN A  85       0.397  10.677  42.535  1.00 16.69           C  
-ATOM    682  OD1 ASN A  85       0.499  11.183  43.633  1.00 17.96           O  
-ATOM    683  ND2 ASN A  85      -0.560   9.937  41.988  1.00 17.57           N  
-ATOM    684  N   GLU A  86       0.192  14.171  42.071  1.00 16.16           N  
-ATOM    685  CA  GLU A  86       0.016  15.342  42.888  1.00 16.94           C  
-ATOM    686  C   GLU A  86       0.289  15.281  44.398  1.00 15.76           C  
-ATOM    687  O   GLU A  86       0.816  16.138  45.062  1.00 17.96           O  
-ATOM    688  CB  GLU A  86      -1.366  16.015  42.847  1.00 19.63           C  
-ATOM    689  CG  GLU A  86      -1.603  17.158  41.935  1.00 21.66           C  
-ATOM    690  CD  GLU A  86      -0.578  18.034  41.303  1.00 23.27           C  
-ATOM    691  OE1 GLU A  86       0.326  17.611  40.552  1.00 27.97           O  
-ATOM    692  OE2 GLU A  86      -0.624  19.275  41.509  1.00 27.69           O  
-ATOM    693  N   ALA A  87      -0.100  14.082  44.906  1.00 17.62           N  
-ATOM    694  CA  ALA A  87       0.083  13.751  46.309  1.00 19.58           C  
-ATOM    695  C   ALA A  87       1.544  13.621  46.693  1.00 19.67           C  
-ATOM    696  O   ALA A  87       1.852  13.771  47.876  1.00 24.19           O  
-ATOM    697  CB  ALA A  87      -0.717  12.508  46.701  1.00 20.78           C  
-ATOM    698  N   LEU A  88       2.488  13.436  45.762  1.00 16.34           N  
-ATOM    699  CA  LEU A  88       3.924  13.402  45.984  1.00 15.22           C  
-ATOM    700  C   LEU A  88       4.610  14.767  45.852  1.00 16.09           C  
-ATOM    701  O   LEU A  88       5.828  14.903  46.053  1.00 18.41           O  
-ATOM    702  CB  LEU A  88       4.602  12.324  45.120  1.00 13.11           C  
-ATOM    703  CG  LEU A  88       4.211  10.908  45.558  1.00 11.85           C  
-ATOM    704  CD1 LEU A  88       4.876   9.933  44.594  1.00 11.97           C  
-ATOM    705  CD2 LEU A  88       4.594  10.573  46.980  1.00 14.12           C  
-ATOM    706  N   LYS A  89       3.805  15.821  45.628  1.00 19.47           N  
-ATOM    707  CA  LYS A  89       4.363  17.189  45.618  1.00 21.36           C  
-ATOM    708  C   LYS A  89       4.674  17.561  47.054  1.00 21.75           C  
-ATOM    709  O   LYS A  89       4.063  17.102  48.024  1.00 23.03           O  
-ATOM    710  CB  LYS A  89       3.334  18.123  44.980  1.00 23.67           C  
-ATOM    711  CG  LYS A  89       3.085  17.860  43.507  1.00 26.66           C  
-ATOM    712  CD  LYS A  89       4.332  18.038  42.658  1.00 29.13           C  
-ATOM    713  CE  LYS A  89       4.019  18.180  41.186  1.00 31.65           C  
-ATOM    714  NZ  LYS A  89       3.571  16.910  40.556  1.00 33.11           N  
-ATOM    715  N   GLY A  90       5.748  18.309  47.284  1.00 22.07           N  
-ATOM    716  CA  GLY A  90       6.179  18.724  48.606  1.00 22.22           C  
-ATOM    717  C   GLY A  90       6.943  17.676  49.395  1.00 22.04           C  
-ATOM    718  O   GLY A  90       7.364  17.953  50.544  1.00 24.65           O  
-ATOM    719  OXT GLY A  90       7.236  16.581  48.868  1.00 20.54           O  

Deleted: SwiftApps/modFTDock/input/1oxn-2.pdb
===================================================================
--- SwiftApps/modFTDock/input/1oxn-2.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/1oxn-2.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,804 +0,0 @@
-ATOM      1  N   ALA B  71     -47.698  88.452  10.247  1.00 76.61           N  
-ATOM      2  CA  ALA B  71     -46.369  87.808  10.038  1.00 75.25           C  
-ATOM      3  C   ALA B  71     -45.220  88.785  10.290  1.00 72.41           C  
-ATOM      4  O   ALA B  71     -45.340  89.985  10.012  1.00 73.95           O  
-ATOM      5  CB  ALA B  71     -46.277  87.210   8.628  1.00 75.88           C  
-ATOM      6  N   GLY B  72     -44.114  88.260  10.817  1.00 65.90           N  
-ATOM      7  CA  GLY B  72     -42.923  89.049  11.070  1.00 59.96           C  
-ATOM      8  C   GLY B  72     -41.651  88.523  10.415  1.00 55.30           C  
-ATOM      9  O   GLY B  72     -41.411  88.749   9.223  1.00 54.79           O  
-ATOM     10  N   ALA B  73     -40.837  87.820  11.204  1.00 47.92           N  
-ATOM     11  CA  ALA B  73     -39.521  87.349  10.775  1.00 36.69           C  
-ATOM     12  C   ALA B  73     -39.628  86.396   9.598  1.00 32.21           C  
-ATOM     13  O   ALA B  73     -40.673  85.803   9.343  1.00 30.69           O  
-ATOM     14  CB  ALA B  73     -38.792  86.684  11.928  1.00 33.93           C  
-ATOM     15  N   THR B  74     -38.534  86.244   8.881  1.00 30.46           N  
-ATOM     16  CA  THR B  74     -38.534  85.395   7.708  1.00 32.51           C  
-ATOM     17  C   THR B  74     -37.440  84.357   7.876  1.00 27.99           C  
-ATOM     18  O   THR B  74     -36.378  84.656   8.403  1.00 25.53           O  
-ATOM     19  CB  THR B  74     -38.315  86.281   6.448  1.00 38.20           C  
-ATOM     20  OG1 THR B  74     -39.568  86.864   6.055  1.00 39.22           O  
-ATOM     21  CG2 THR B  74     -37.913  85.458   5.234  1.00 41.95           C  
-ATOM     22  N   LEU B  75     -37.730  83.137   7.449  1.00 29.01           N  
-ATOM     23  CA  LEU B  75     -36.742  82.087   7.311  1.00 31.91           C  
-ATOM     24  C   LEU B  75     -35.580  82.567   6.441  1.00 34.66           C  
-ATOM     25  O   LEU B  75     -35.789  83.046   5.318  1.00 36.74           O  
-ATOM     26  CB  LEU B  75     -37.397  80.896   6.618  1.00 30.08           C  
-ATOM     27  CG  LEU B  75     -37.414  79.487   7.193  1.00 34.67           C  
-ATOM     28  CD1 LEU B  75     -37.360  79.436   8.717  1.00 31.88           C  
-ATOM     29  CD2 LEU B  75     -38.661  78.796   6.686  1.00 34.53           C  
-ATOM     30  N   SER B  76     -34.364  82.444   6.960  1.00 29.03           N  
-ATOM     31  CA  SER B  76     -33.168  82.646   6.149  1.00 29.73           C  
-ATOM     32  C   SER B  76     -33.046  81.567   5.074  1.00 29.47           C  
-ATOM     33  O   SER B  76     -33.458  80.423   5.282  1.00 25.39           O  
-ATOM     34  CB  SER B  76     -31.936  82.672   7.045  1.00 26.85           C  
-ATOM     35  OG  SER B  76     -32.017  83.795   7.913  1.00 30.23           O  
-ATOM     36  N   ARG B  77     -32.462  81.934   3.935  1.00 30.62           N  
-ATOM     37  CA  ARG B  77     -32.410  81.059   2.761  1.00 36.93           C  
-ATOM     38  C   ARG B  77     -31.168  80.170   2.684  1.00 33.70           C  
-ATOM     39  O   ARG B  77     -31.159  79.186   1.945  1.00 32.48           O  
-ATOM     40  CB  ARG B  77     -32.567  81.872   1.465  1.00 42.93           C  
-ATOM     41  CG  ARG B  77     -34.023  82.204   1.135  1.00 53.76           C  
-ATOM     42  CD  ARG B  77     -34.257  82.689  -0.291  1.00 63.83           C  
-ATOM     43  NE  ARG B  77     -35.491  82.136  -0.851  1.00 69.95           N  
-ATOM     44  CZ  ARG B  77     -35.576  81.501  -2.016  1.00 74.15           C  
-ATOM     45  NH1 ARG B  77     -34.498  81.328  -2.773  1.00 75.60           N  
-ATOM     46  NH2 ARG B  77     -36.748  81.034  -2.430  1.00 75.43           N  
-ATOM     47  N   GLY B  78     -30.135  80.514   3.448  1.00 31.77           N  
-ATOM     48  CA  GLY B  78     -28.879  79.779   3.422  1.00 30.89           C  
-ATOM     49  C   GLY B  78     -28.983  78.416   4.102  1.00 28.90           C  
-ATOM     50  O   GLY B  78     -29.451  78.329   5.240  1.00 25.44           O  
-ATOM     51  N   PRO B  79     -28.554  77.353   3.418  1.00 26.07           N  
-ATOM     52  CA  PRO B  79     -28.468  76.026   4.047  1.00 23.73           C  
-ATOM     53  C   PRO B  79     -27.482  76.096   5.208  1.00 22.09           C  
-ATOM     54  O   PRO B  79     -26.521  76.859   5.141  1.00 27.69           O  
-ATOM     55  CB  PRO B  79     -27.898  75.131   2.939  1.00 19.28           C  
-ATOM     56  CG  PRO B  79     -28.058  75.903   1.668  1.00 22.38           C  
-ATOM     57  CD  PRO B  79     -28.124  77.339   2.008  1.00 26.25           C  
-ATOM     58  N   ALA B  80     -27.723  75.319   6.252  1.00 22.08           N  
-ATOM     59  CA  ALA B  80     -26.807  75.235   7.376  1.00 21.45           C  
-ATOM     60  C   ALA B  80     -25.414  74.805   6.914  1.00 24.40           C  
-ATOM     61  O   ALA B  80     -24.411  75.328   7.388  1.00 28.63           O  
-ATOM     62  CB  ALA B  80     -27.333  74.265   8.406  1.00 21.20           C  
-ATOM     63  N   PHE B  81     -25.370  73.864   5.976  1.00 23.62           N  
-ATOM     64  CA  PHE B  81     -24.121  73.288   5.502  1.00 22.46           C  
-ATOM     65  C   PHE B  81     -24.199  73.171   3.977  1.00 23.41           C  
-ATOM     66  O   PHE B  81     -24.514  72.099   3.442  1.00 23.86           O  
-ATOM     67  CB  PHE B  81     -23.910  71.923   6.181  1.00 24.08           C  
-ATOM     68  CG  PHE B  81     -22.507  71.380   6.080  1.00 24.03           C  
-ATOM     69  CD1 PHE B  81     -21.553  71.961   5.235  1.00 25.47           C  
-ATOM     70  CD2 PHE B  81     -22.144  70.266   6.828  1.00 25.56           C  
-ATOM     71  CE1 PHE B  81     -20.258  71.441   5.149  1.00 28.28           C  
-ATOM     72  CE2 PHE B  81     -20.846  69.736   6.753  1.00 30.05           C  
-ATOM     73  CZ  PHE B  81     -19.906  70.318   5.911  1.00 29.42           C  
-ATOM     74  N   PRO B  82     -23.942  74.285   3.281  1.00 20.83           N  
-ATOM     75  CA  PRO B  82     -24.096  74.351   1.827  1.00 22.13           C  
-ATOM     76  C   PRO B  82     -23.280  73.283   1.120  1.00 24.70           C  
-ATOM     77  O   PRO B  82     -23.760  72.716   0.147  1.00 25.69           O  
-ATOM     78  CB  PRO B  82     -23.586  75.766   1.481  1.00 20.64           C  
-ATOM     79  CG  PRO B  82     -23.849  76.541   2.727  1.00 17.69           C  
-ATOM     80  CD  PRO B  82     -23.552  75.592   3.848  1.00 20.52           C  
-ATOM     81  N   GLY B  83     -22.097  72.984   1.637  1.00 25.80           N  
-ATOM     82  CA  GLY B  83     -21.284  71.907   1.099  1.00 29.62           C  
-ATOM     83  C   GLY B  83     -21.975  70.553   1.016  1.00 29.14           C  
-ATOM     84  O   GLY B  83     -21.693  69.755   0.122  1.00 28.83           O  
-ATOM     85  N   MET B  84     -22.881  70.278   1.948  1.00 26.49           N  
-ATOM     86  CA  MET B  84     -23.566  68.998   1.937  1.00 22.82           C  
-ATOM     87  C   MET B  84     -24.862  69.074   1.113  1.00 24.01           C  
-ATOM     88  O   MET B  84     -25.722  68.205   1.220  1.00 21.85           O  
-ATOM     89  CB  MET B  84     -23.815  68.506   3.370  1.00 23.25           C  
-ATOM     90  CG  MET B  84     -22.615  67.850   4.026  1.00 27.84           C  
-ATOM     91  SD  MET B  84     -22.072  66.362   3.154  1.00 32.39           S  
-ATOM     92  CE  MET B  84     -21.245  65.427   4.464  1.00 32.66           C  
-ATOM     93  N   GLY B  85     -24.972  70.113   0.284  1.00 24.16           N  
-ATOM     94  CA  GLY B  85     -26.101  70.329  -0.605  1.00 27.56           C  
-ATOM     95  C   GLY B  85     -26.205  69.345  -1.758  1.00 28.57           C  
-ATOM     96  O   GLY B  85     -27.247  69.237  -2.415  1.00 33.62           O  
-ATOM     97  N   SER B  86     -25.135  68.607  -1.991  1.00 26.35           N  
-ATOM     98  CA  SER B  86     -25.124  67.584  -3.026  1.00 28.61           C  
-ATOM     99  C   SER B  86     -25.429  66.228  -2.415  1.00 29.27           C  
-ATOM    100  O   SER B  86     -24.823  65.831  -1.411  1.00 27.20           O  
-ATOM    101  CB  SER B  86     -23.769  67.571  -3.746  1.00 29.88           C  
-ATOM    102  OG  SER B  86     -23.489  66.295  -4.270  1.00 34.76           O  
-ATOM    103  N   GLU B  87     -26.374  65.521  -3.028  1.00 29.04           N  
-ATOM    104  CA  GLU B  87     -26.781  64.204  -2.560  1.00 27.09           C  
-ATOM    105  C   GLU B  87     -25.629  63.200  -2.485  1.00 27.80           C  
-ATOM    106  O   GLU B  87     -25.521  62.467  -1.492  1.00 24.65           O  
-ATOM    107  CB  GLU B  87     -27.918  63.629  -3.417  1.00 25.95           C  
-ATOM    108  CG  GLU B  87     -28.532  62.380  -2.799  1.00 28.45           C  
-ATOM    109  CD  GLU B  87     -29.775  61.888  -3.522  1.00 36.29           C  
-ATOM    110  OE1 GLU B  87     -30.556  62.725  -4.039  1.00 33.85           O  
-ATOM    111  OE2 GLU B  87     -29.983  60.653  -3.558  1.00 40.02           O  
-ATOM    112  N   GLU B  88     -24.776  63.163  -3.515  1.00 26.90           N  
-ATOM    113  CA  GLU B  88     -23.668  62.206  -3.534  1.00 28.05           C  
-ATOM    114  C   GLU B  88     -22.689  62.485  -2.403  1.00 21.22           C  
-ATOM    115  O   GLU B  88     -22.131  61.560  -1.819  1.00 22.07           O  
-ATOM    116  CB  GLU B  88     -22.951  62.172  -4.898  1.00 35.88           C  
-ATOM    117  CG  GLU B  88     -22.552  60.763  -5.336  1.00 45.72           C  
-ATOM    118  CD  GLU B  88     -21.301  60.250  -4.620  1.00 54.46           C  
-ATOM    119  OE1 GLU B  88     -20.219  60.855  -4.788  1.00 52.97           O  
-ATOM    120  OE2 GLU B  88     -21.395  59.240  -3.881  1.00 58.46           O  
-ATOM    121  N   LEU B  89     -22.517  63.757  -2.057  1.00 18.90           N  
-ATOM    122  CA  LEU B  89     -21.622  64.100  -0.954  1.00 19.82           C  
-ATOM    123  C   LEU B  89     -22.252  63.620   0.345  1.00 21.92           C  
-ATOM    124  O   LEU B  89     -21.587  63.043   1.197  1.00 22.70           O  
-ATOM    125  CB  LEU B  89     -21.341  65.613  -0.922  1.00 24.69           C  
-ATOM    126  CG  LEU B  89     -20.800  66.285  -2.204  1.00 27.11           C  
-ATOM    127  CD1 LEU B  89     -20.122  67.621  -1.930  1.00 25.11           C  
-ATOM    128  CD2 LEU B  89     -19.871  65.372  -3.009  1.00 25.30           C  
-ATOM    129  N   ARG B  90     -23.558  63.827   0.475  1.00 22.60           N  
-ATOM    130  CA  ARG B  90     -24.267  63.357   1.651  1.00 21.80           C  
-ATOM    131  C   ARG B  90     -24.155  61.850   1.738  1.00 21.11           C  
-ATOM    132  O   ARG B  90     -23.863  61.315   2.801  1.00 19.30           O  
-ATOM    133  CB  ARG B  90     -25.722  63.806   1.604  1.00 20.35           C  
-ATOM    134  CG  ARG B  90     -25.867  65.283   1.872  1.00 17.41           C  
-ATOM    135  CD  ARG B  90     -27.271  65.688   2.295  1.00 21.60           C  
-ATOM    136  NE  ARG B  90     -28.293  65.272   1.335  1.00 17.86           N  
-ATOM    137  CZ  ARG B  90     -28.602  65.946   0.237  1.00 19.03           C  
-ATOM    138  NH1 ARG B  90     -27.955  67.074  -0.073  1.00 17.70           N  
-ATOM    139  NH2 ARG B  90     -29.562  65.494  -0.552  1.00 15.50           N  
-ATOM    140  N   LEU B  91     -24.349  61.177   0.604  1.00 20.95           N  
-ATOM    141  CA  LEU B  91     -24.239  59.722   0.531  1.00 26.57           C  
-ATOM    142  C   LEU B  91     -22.876  59.228   0.993  1.00 27.19           C  
-ATOM    143  O   LEU B  91     -22.779  58.225   1.709  1.00 29.48           O  
-ATOM    144  CB  LEU B  91     -24.481  59.238  -0.907  1.00 30.57           C  
-ATOM    145  CG  LEU B  91     -25.308  57.968  -1.151  1.00 35.52           C  
-ATOM    146  CD1 LEU B  91     -24.758  57.167  -2.320  1.00 33.37           C  
-ATOM    147  CD2 LEU B  91     -25.460  57.086   0.082  1.00 33.09           C  
-ATOM    148  N   ALA B  92     -21.824  59.925   0.572  1.00 23.63           N  
-ATOM    149  CA  ALA B  92     -20.462  59.531   0.912  1.00 23.05           C  
-ATOM    150  C   ALA B  92     -20.246  59.557   2.418  1.00 24.33           C  
-ATOM    151  O   ALA B  92     -19.438  58.792   2.941  1.00 23.84           O  
-ATOM    152  CB  ALA B  92     -19.464  60.437   0.218  1.00 22.25           C  
-ATOM    153  N   SER B  93     -20.994  60.418   3.113  1.00 24.08           N  
-ATOM    154  CA  SER B  93     -20.871  60.555   4.563  1.00 21.51           C  
-ATOM    155  C   SER B  93     -21.346  59.313   5.297  1.00 24.47           C  
-ATOM    156  O   SER B  93     -21.016  59.114   6.469  1.00 24.61           O  
-ATOM    157  CB  SER B  93     -21.622  61.799   5.067  1.00 24.09           C  
-ATOM    158  OG  SER B  93     -23.019  61.569   5.136  1.00 21.21           O  
-ATOM    159  N   PHE B  94     -22.115  58.479   4.603  1.00 22.95           N  
-ATOM    160  CA  PHE B  94     -22.626  57.238   5.181  1.00 24.27           C  
-ATOM    161  C   PHE B  94     -21.703  56.041   4.983  1.00 27.96           C  
-ATOM    162  O   PHE B  94     -22.094  54.916   5.261  1.00 28.75           O  
-ATOM    163  CB  PHE B  94     -24.029  56.936   4.627  1.00 23.29           C  
-ATOM    164  CG  PHE B  94     -25.067  57.907   5.107  1.00 21.27           C  
-ATOM    165  CD1 PHE B  94     -25.642  57.750   6.359  1.00 18.71           C  
-ATOM    166  CD2 PHE B  94     -25.430  59.004   4.325  1.00 21.77           C  
-ATOM    167  CE1 PHE B  94     -26.577  58.662   6.830  1.00 24.54           C  
-ATOM    168  CE2 PHE B  94     -26.369  59.931   4.788  1.00 23.34           C  
-ATOM    169  CZ  PHE B  94     -26.945  59.756   6.043  1.00 22.27           C  
-ATOM    170  N   TYR B  95     -20.478  56.287   4.520  1.00 29.89           N  
-ATOM    171  CA  TYR B  95     -19.499  55.213   4.322  1.00 34.76           C  
-ATOM    172  C   TYR B  95     -19.359  54.339   5.566  1.00 32.92           C  
-ATOM    173  O   TYR B  95     -19.169  53.137   5.450  1.00 32.72           O  
-ATOM    174  CB  TYR B  95     -18.130  55.762   3.887  1.00 30.09           C  
-ATOM    175  CG  TYR B  95     -17.274  56.235   5.035  1.00 30.42           C  
-ATOM    176  CD1 TYR B  95     -17.632  57.367   5.778  1.00 28.17           C  
-ATOM    177  CD2 TYR B  95     -16.105  55.549   5.392  1.00 29.85           C  
-ATOM    178  CE1 TYR B  95     -16.860  57.792   6.838  1.00 28.09           C  
-ATOM    179  CE2 TYR B  95     -15.326  55.974   6.449  1.00 29.19           C  
-ATOM    180  CZ  TYR B  95     -15.708  57.092   7.170  1.00 31.14           C  
-ATOM    181  OH  TYR B  95     -14.931  57.532   8.215  1.00 36.90           O  
-ATOM    182  N   ASP B  96     -19.483  54.944   6.749  1.00 32.78           N  
-ATOM    183  CA  ASP B  96     -19.384  54.199   8.002  1.00 32.35           C  
-ATOM    184  C   ASP B  96     -20.728  54.112   8.725  1.00 30.23           C  
-ATOM    185  O   ASP B  96     -20.773  54.047   9.955  1.00 30.85           O  
-ATOM    186  CB  ASP B  96     -18.344  54.843   8.918  1.00 31.22           C  
-ATOM    187  CG  ASP B  96     -18.671  56.278   9.243  1.00 34.52           C  
-ATOM    188  OD1 ASP B  96     -19.604  56.838   8.622  1.00 34.82           O  
-ATOM    189  OD2 ASP B  96     -18.050  56.930  10.101  1.00 37.38           O  
-ATOM    190  N   TRP B  97     -21.818  54.147   7.964  1.00 31.14           N  
-ATOM    191  CA  TRP B  97     -23.155  54.062   8.545  1.00 33.00           C  
-ATOM    192  C   TRP B  97     -23.322  52.671   9.161  1.00 35.27           C  
-ATOM    193  O   TRP B  97     -23.112  51.676   8.472  1.00 36.38           O  
-ATOM    194  CB  TRP B  97     -24.210  54.327   7.465  1.00 27.67           C  
-ATOM    195  CG  TRP B  97     -25.647  54.342   7.938  1.00 25.27           C  
-ATOM    196  CD1 TRP B  97     -26.634  53.489   7.554  1.00 23.69           C  
-ATOM    197  CD2 TRP B  97     -26.259  55.272   8.849  1.00 24.84           C  
-ATOM    198  NE1 TRP B  97     -27.822  53.825   8.156  1.00 23.02           N  
-ATOM    199  CE2 TRP B  97     -27.619  54.908   8.969  1.00 25.09           C  
-ATOM    200  CE3 TRP B  97     -25.795  56.372   9.581  1.00 21.71           C  
-ATOM    201  CZ2 TRP B  97     -28.516  55.598   9.787  1.00 20.06           C  
-ATOM    202  CZ3 TRP B  97     -26.681  57.058  10.389  1.00 25.28           C  
-ATOM    203  CH2 TRP B  97     -28.035  56.671  10.480  1.00 26.94           C  
-ATOM    204  N   PRO B  98     -23.668  52.602  10.449  1.00 41.24           N  
-ATOM    205  CA  PRO B  98     -23.805  51.321  11.161  1.00 44.86           C  
-ATOM    206  C   PRO B  98     -24.778  50.334  10.509  1.00 51.31           C  
-ATOM    207  O   PRO B  98     -25.892  50.700  10.135  1.00 51.35           O  
-ATOM    208  CB  PRO B  98     -24.351  51.732  12.531  1.00 42.41           C  
-ATOM    209  CG  PRO B  98     -23.962  53.137  12.699  1.00 44.12           C  
-ATOM    210  CD  PRO B  98     -23.953  53.748  11.329  1.00 41.85           C  
-ATOM    211  N   LEU B  99     -24.340  49.083  10.388  1.00 62.23           N  
-ATOM    212  CA  LEU B  99     -25.189  47.981   9.925  1.00 68.16           C  
-ATOM    213  C   LEU B  99     -26.460  47.868  10.775  1.00 67.31           C  
-ATOM    214  O   LEU B  99     -27.543  47.595  10.247  1.00 66.74           O  
-ATOM    215  CB  LEU B  99     -24.413  46.655   9.966  1.00 73.61           C  
-ATOM    216  CG  LEU B  99     -23.211  46.451   9.030  1.00 78.11           C  
-ATOM    217  CD1 LEU B  99     -21.911  47.004   9.629  1.00 79.36           C  
-ATOM    218  CD2 LEU B  99     -23.048  44.971   8.677  1.00 79.63           C  
-ATOM    219  N   THR B 100     -26.305  48.107  12.081  1.00 66.34           N  
-ATOM    220  CA  THR B 100     -27.383  48.032  13.074  1.00 65.58           C  
-ATOM    221  C   THR B 100     -28.476  49.085  12.882  1.00 65.38           C  
-ATOM    222  O   THR B 100     -29.603  48.915  13.352  1.00 64.40           O  
-ATOM    223  CB  THR B 100     -26.809  48.130  14.511  1.00 66.39           C  
-ATOM    224  OG1 THR B 100     -25.891  49.230  14.601  1.00 65.36           O  
-ATOM    225  CG2 THR B 100     -25.952  46.909  14.838  1.00 65.83           C  
-ATOM    226  N   ALA B 101     -28.129  50.180  12.213  1.00 65.49           N  
-ATOM    227  CA  ALA B 101     -29.105  51.171  11.787  1.00 63.24           C  
-ATOM    228  C   ALA B 101     -29.737  50.671  10.491  1.00 63.61           C  
-ATOM    229  O   ALA B 101     -29.084  50.656   9.436  1.00 66.08           O  
-ATOM    230  CB  ALA B 101     -28.426  52.501  11.573  1.00 63.05           C  
-ATOM    231  N   GLU B 102     -31.000  50.256  10.568  1.00 60.11           N  
-ATOM    232  CA  GLU B 102     -31.636  49.551   9.450  1.00 57.99           C  
-ATOM    233  C   GLU B 102     -32.404  50.494   8.522  1.00 51.70           C  
-ATOM    234  O   GLU B 102     -33.497  50.186   8.047  1.00 49.99           O  
-ATOM    235  CB  GLU B 102     -32.521  48.406   9.957  1.00 63.51           C  
-ATOM    236  CG  GLU B 102     -31.836  47.492  10.966  1.00 68.81           C  
-ATOM    237  CD  GLU B 102     -31.632  46.077  10.456  1.00 73.40           C  
-ATOM    238  OE1 GLU B 102     -32.559  45.523   9.819  1.00 75.78           O  
-ATOM    239  OE2 GLU B 102     -30.546  45.509  10.710  1.00 75.01           O  
-ATOM    240  N   VAL B 103     -31.804  51.651   8.277  1.00 43.68           N  
-ATOM    241  CA  VAL B 103     -32.320  52.619   7.330  1.00 37.09           C  
-ATOM    242  C   VAL B 103     -31.221  52.842   6.293  1.00 32.08           C  
-ATOM    243  O   VAL B 103     -30.108  53.205   6.652  1.00 32.90           O  
-ATOM    244  CB  VAL B 103     -32.708  53.939   8.042  1.00 34.03           C  
-ATOM    245  CG1 VAL B 103     -33.067  55.006   7.034  1.00 35.90           C  
-ATOM    246  CG2 VAL B 103     -33.875  53.707   9.009  1.00 30.54           C  
-ATOM    247  N   PRO B 104     -31.518  52.602   5.019  1.00 29.78           N  
-ATOM    248  CA  PRO B 104     -30.499  52.730   3.965  1.00 30.50           C  
-ATOM    249  C   PRO B 104     -30.004  54.179   3.803  1.00 29.71           C  
-ATOM    250  O   PRO B 104     -30.821  55.094   3.689  1.00 35.32           O  
-ATOM    251  CB  PRO B 104     -31.220  52.277   2.684  1.00 28.91           C  
-ATOM    252  CG  PRO B 104     -32.589  51.832   3.079  1.00 31.48           C  
-ATOM    253  CD  PRO B 104     -32.840  52.222   4.493  1.00 28.46           C  
-ATOM    254  N   PRO B 105     -28.689  54.367   3.780  1.00 27.71           N  
-ATOM    255  CA  PRO B 105     -28.071  55.684   3.573  1.00 26.67           C  
-ATOM    256  C   PRO B 105     -28.649  56.432   2.389  1.00 24.37           C  
-ATOM    257  O   PRO B 105     -28.799  57.649   2.465  1.00 24.01           O  
-ATOM    258  CB  PRO B 105     -26.610  55.328   3.279  1.00 28.96           C  
-ATOM    259  CG  PRO B 105     -26.379  54.083   4.079  1.00 27.97           C  
-ATOM    260  CD  PRO B 105     -27.672  53.308   3.964  1.00 28.48           C  
-ATOM    261  N   GLU B 106     -28.970  55.704   1.323  1.00 24.33           N  
-ATOM    262  CA  GLU B 106     -29.547  56.268   0.111  1.00 27.78           C  
-ATOM    263  C   GLU B 106     -30.800  57.078   0.427  1.00 25.14           C  
-ATOM    264  O   GLU B 106     -30.956  58.185  -0.065  1.00 27.88           O  
-ATOM    265  CB  GLU B 106     -29.872  55.163  -0.918  1.00 34.79           C  
-ATOM    266  CG  GLU B 106     -28.689  54.282  -1.347  1.00 46.23           C  
-ATOM    267  CD  GLU B 106     -28.140  53.381  -0.229  1.00 49.66           C  
-ATOM    268  OE1 GLU B 106     -28.926  52.884   0.609  1.00 48.01           O  
-ATOM    269  OE2 GLU B 106     -26.905  53.170  -0.181  1.00 53.79           O  
-ATOM    270  N   LEU B 107     -31.690  56.534   1.250  1.00 24.71           N  
-ATOM    271  CA  LEU B 107     -32.926  57.250   1.584  1.00 25.68           C  
-ATOM    272  C   LEU B 107     -32.640  58.463   2.465  1.00 18.79           C  
-ATOM    273  O   LEU B 107     -33.221  59.536   2.297  1.00 22.25           O  
-ATOM    274  CB  LEU B 107     -33.922  56.313   2.281  1.00 29.27           C  
-ATOM    275  CG  LEU B 107     -34.654  55.235   1.468  1.00 32.55           C  
-ATOM    276  CD1 LEU B 107     -35.697  54.549   2.361  1.00 31.68           C  
-ATOM    277  CD2 LEU B 107     -35.328  55.806   0.224  1.00 30.10           C  
-ATOM    278  N   LEU B 108     -31.735  58.281   3.411  1.00 20.20           N  
-ATOM    279  CA  LEU B 108     -31.354  59.358   4.299  1.00 20.68           C  
-ATOM    280  C   LEU B 108     -30.725  60.502   3.523  1.00 17.96           C  
-ATOM    281  O   LEU B 108     -31.094  61.663   3.717  1.00 20.23           O  
-ATOM    282  CB  LEU B 108     -30.403  58.846   5.380  1.00 15.49           C  
-ATOM    283  CG  LEU B 108     -31.102  58.041   6.452  1.00 19.60           C  
-ATOM    284  CD1 LEU B 108     -30.131  57.056   7.116  1.00 18.93           C  
-ATOM    285  CD2 LEU B 108     -31.705  58.984   7.460  1.00 21.24           C  
-ATOM    286  N   ALA B 109     -29.798  60.172   2.628  1.00 20.91           N  
-ATOM    287  CA  ALA B 109     -29.106  61.178   1.822  1.00 19.25           C  
-ATOM    288  C   ALA B 109     -30.072  61.894   0.890  1.00 19.19           C  
-ATOM    289  O   ALA B 109     -29.965  63.108   0.714  1.00 23.56           O  
-ATOM    290  CB  ALA B 109     -27.945  60.545   1.022  1.00 17.91           C  
-ATOM    291  N   ALA B 110     -31.014  61.144   0.302  1.00 16.66           N  
-ATOM    292  CA  ALA B 110     -32.043  61.739  -0.567  1.00 20.33           C  
-ATOM    293  C   ALA B 110     -32.901  62.693   0.242  1.00 14.52           C  
-ATOM    294  O   ALA B 110     -33.338  63.720  -0.257  1.00 18.26           O  
-ATOM    295  CB  ALA B 110     -32.940  60.636  -1.231  1.00 19.77           C  
-ATOM    296  N   ALA B 111     -33.133  62.346   1.506  1.00 17.82           N  
-ATOM    297  CA  ALA B 111     -33.946  63.184   2.370  1.00 16.79           C  
-ATOM    298  C   ALA B 111     -33.178  64.356   2.975  1.00 16.14           C  
-ATOM    299  O   ALA B 111     -33.687  65.035   3.853  1.00 17.64           O  
-ATOM    300  CB  ALA B 111     -34.598  62.349   3.457  1.00 17.85           C  
-ATOM    301  N   GLY B 112     -31.953  64.587   2.506  1.00 16.87           N  
-ATOM    302  CA  GLY B 112     -31.208  65.776   2.886  1.00 13.32           C  
-ATOM    303  C   GLY B 112     -30.220  65.547   4.002  1.00 17.37           C  
-ATOM    304  O   GLY B 112     -29.527  66.471   4.413  1.00 17.73           O  
-ATOM    305  N   PHE B 113     -30.141  64.312   4.487  1.00 15.45           N  
-ATOM    306  CA  PHE B 113     -29.381  64.051   5.697  1.00 17.48           C  
-ATOM    307  C   PHE B 113     -27.995  63.541   5.360  1.00 17.46           C  
-ATOM    308  O   PHE B 113     -27.807  62.763   4.417  1.00 18.80           O  
-ATOM    309  CB  PHE B 113     -30.068  63.003   6.573  1.00 12.69           C  
-ATOM    310  CG  PHE B 113     -31.394  63.434   7.134  1.00 14.28           C  
-ATOM    311  CD1 PHE B 113     -31.468  64.381   8.152  1.00 10.40           C  
-ATOM    312  CD2 PHE B 113     -32.563  62.864   6.667  1.00 16.89           C  
-ATOM    313  CE1 PHE B 113     -32.700  64.763   8.687  1.00 17.85           C  
-ATOM    314  CE2 PHE B 113     -33.808  63.234   7.203  1.00 15.92           C  
-ATOM    315  CZ  PHE B 113     -33.863  64.192   8.215  1.00 15.94           C  
-ATOM    316  N   PHE B 114     -27.031  63.949   6.166  1.00 18.20           N  
-ATOM    317  CA  PHE B 114     -25.689  63.398   6.066  1.00 20.82           C  
-ATOM    318  C   PHE B 114     -25.289  62.921   7.435  1.00 19.59           C  
-ATOM    319  O   PHE B 114     -25.773  63.421   8.448  1.00 21.07           O  
-ATOM    320  CB  PHE B 114     -24.705  64.447   5.538  1.00 17.22           C  
-ATOM    321  CG  PHE B 114     -24.483  65.597   6.475  1.00 20.13           C  
-ATOM    322  CD1 PHE B 114     -25.308  66.707   6.430  1.00 20.74           C  
-ATOM    323  CD2 PHE B 114     -23.442  65.572   7.397  1.00 22.44           C  
-ATOM    324  CE1 PHE B 114     -25.118  67.773   7.295  1.00 19.46           C  
-ATOM    325  CE2 PHE B 114     -23.229  66.639   8.266  1.00 23.08           C  
-ATOM    326  CZ  PHE B 114     -24.076  67.741   8.225  1.00 21.30           C  
-ATOM    327  N   HIS B 115     -24.406  61.937   7.461  1.00 24.02           N  
-ATOM    328  CA  HIS B 115     -24.007  61.301   8.699  1.00 23.48           C  
-ATOM    329  C   HIS B 115     -23.024  62.191   9.461  1.00 25.25           C  
-ATOM    330  O   HIS B 115     -22.094  62.720   8.873  1.00 26.58           O  
-ATOM    331  CB  HIS B 115     -23.355  59.975   8.348  1.00 24.89           C  
-ATOM    332  CG  HIS B 115     -23.035  59.114   9.527  1.00 25.17           C  
-ATOM    333  ND1 HIS B 115     -22.114  58.093   9.465  1.00 26.81           N  
-ATOM    334  CD2 HIS B 115     -23.526  59.101  10.787  1.00 26.22           C  
-ATOM    335  CE1 HIS B 115     -22.039  57.496  10.640  1.00 23.54           C  
-ATOM    336  NE2 HIS B 115     -22.884  58.089  11.460  1.00 26.79           N  
-ATOM    337  N   THR B 116     -23.252  62.373  10.758  1.00 26.83           N  
-ATOM    338  CA  THR B 116     -22.248  62.973  11.650  1.00 32.60           C  
-ATOM    339  C   THR B 116     -21.907  61.951  12.722  1.00 35.22           C  
-ATOM    340  O   THR B 116     -22.769  61.172  13.129  1.00 36.53           O  
-ATOM    341  CB  THR B 116     -22.766  64.253  12.330  1.00 31.73           C  
-ATOM    342  OG1 THR B 116     -23.909  63.936  13.133  1.00 34.57           O  
-ATOM    343  CG2 THR B 116     -23.322  65.232  11.308  1.00 32.90           C  
-ATOM    344  N   GLY B 117     -20.660  61.960  13.188  1.00 38.02           N  
-ATOM    345  CA  GLY B 117     -20.231  61.051  14.244  1.00 39.32           C  
-ATOM    346  C   GLY B 117     -20.027  59.633  13.742  1.00 38.74           C  
-ATOM    347  O   GLY B 117     -19.897  59.412  12.538  1.00 40.82           O  
-ATOM    348  N   HIS B 118     -20.003  58.672  14.661  1.00 40.81           N  
-ATOM    349  CA  HIS B 118     -19.727  57.277  14.315  1.00 46.77           C  
-ATOM    350  C   HIS B 118     -20.830  56.344  14.790  1.00 48.12           C  
-ATOM    351  O   HIS B 118     -20.677  55.115  14.766  1.00 50.23           O  
-ATOM    352  CB  HIS B 118     -18.369  56.833  14.874  1.00 53.63           C  
-ATOM    353  CG  HIS B 118     -17.204  57.489  14.206  1.00 58.29           C  
-ATOM    354  ND1 HIS B 118     -16.730  58.728  14.584  1.00 60.80           N  
-ATOM    355  CD2 HIS B 118     -16.432  57.092  13.167  1.00 60.85           C  
-ATOM    356  CE1 HIS B 118     -15.712  59.062  13.813  1.00 62.50           C  
-ATOM    357  NE2 HIS B 118     -15.510  58.087  12.944  1.00 63.84           N  
-ATOM    358  N   GLN B 119     -21.938  56.933  15.233  1.00 44.32           N  
-ATOM    359  CA  GLN B 119     -23.137  56.164  15.520  1.00 41.15           C  
-ATOM    360  C   GLN B 119     -24.125  56.396  14.383  1.00 35.25           C  
-ATOM    361  O   GLN B 119     -23.736  56.391  13.222  1.00 36.68           O  
-ATOM    362  CB  GLN B 119     -23.718  56.549  16.877  1.00 45.49           C  
-ATOM    363  CG  GLN B 119     -23.081  55.814  18.043  1.00 53.79           C  
-ATOM    364  CD  GLN B 119     -22.339  56.745  18.984  1.00 58.77           C  
-ATOM    365  OE1 GLN B 119     -22.930  57.291  19.922  1.00 59.55           O  
-ATOM    366  NE2 GLN B 119     -21.043  56.933  18.736  1.00 62.64           N  
-ATOM    367  N   ASP B 120     -25.391  56.610  14.706  1.00 30.64           N  
-ATOM    368  CA  ASP B 120     -26.411  56.748  13.681  1.00 33.50           C  
-ATOM    369  C   ASP B 120     -27.020  58.151  13.642  1.00 31.53           C  
-ATOM    370  O   ASP B 120     -28.178  58.332  13.279  1.00 33.40           O  
-ATOM    371  CB  ASP B 120     -27.483  55.667  13.850  1.00 34.46           C  
-ATOM    372  CG  ASP B 120     -28.420  55.937  15.014  1.00 38.67           C  
-ATOM    373  OD1 ASP B 120     -28.020  56.609  15.993  1.00 39.05           O  
-ATOM    374  OD2 ASP B 120     -29.590  55.501  15.027  1.00 42.10           O  
-ATOM    375  N   LYS B 121     -26.220  59.142  14.001  1.00 28.57           N  
-ATOM    376  CA  LYS B 121     -26.683  60.515  14.012  1.00 30.29           C  
-ATOM    377  C   LYS B 121     -26.618  61.086  12.611  1.00 29.84           C  
-ATOM    378  O   LYS B 121     -25.655  60.849  11.884  1.00 24.99           O  
-ATOM    379  CB  LYS B 121     -25.828  61.363  14.955  1.00 29.30           C  
-ATOM    380  CG  LYS B 121     -26.126  61.147  16.426  1.00 28.34           C  
-ATOM    381  CD  LYS B 121     -25.377  62.173  17.267  1.00 31.37           C  
-ATOM    382  CE  LYS B 121     -25.346  61.766  18.735  1.00 34.04           C  
-ATOM    383  NZ  LYS B 121     -23.970  61.873  19.260  1.00 42.53           N  
-ATOM    384  N   VAL B 122     -27.659  61.822  12.235  1.00 24.56           N  
-ATOM    385  CA  VAL B 122     -27.665  62.521  10.970  1.00 22.07           C  
-ATOM    386  C   VAL B 122     -28.094  63.947  11.191  1.00 22.73           C  
-ATOM    387  O   VAL B 122     -28.756  64.274  12.187  1.00 23.14           O  
-ATOM    388  CB  VAL B 122     -28.598  61.870   9.898  1.00 21.84           C  
-ATOM    389  CG1 VAL B 122     -28.201  60.420   9.608  1.00 15.66           C  
-ATOM    390  CG2 VAL B 122     -30.071  62.003  10.274  1.00 20.34           C  
-ATOM    391  N   ARG B 123     -27.709  64.790  10.244  1.00 20.64           N  
-ATOM    392  CA  ARG B 123     -28.155  66.164  10.204  1.00 21.86           C  
-ATOM    393  C   ARG B 123     -28.643  66.454   8.807  1.00 22.36           C  
-ATOM    394  O   ARG B 123     -28.073  65.960   7.840  1.00 19.43           O  
-ATOM    395  CB  ARG B 123     -26.985  67.100  10.510  1.00 26.01           C  
-ATOM    396  CG  ARG B 123     -26.526  67.055  11.959  1.00 27.50           C  
-ATOM    397  CD  ARG B 123     -27.247  68.044  12.829  1.00 25.66           C  
-ATOM    398  NE  ARG B 123     -26.787  68.006  14.212  1.00 23.97           N  
-ATOM    399  CZ  ARG B 123     -27.385  68.657  15.198  1.00 26.03           C  
-ATOM    400  NH1 ARG B 123     -28.467  69.391  14.954  1.00 24.59           N  
-ATOM    401  NH2 ARG B 123     -26.910  68.572  16.436  1.00 29.49           N  
-ATOM    402  N   CYS B 124     -29.675  67.279   8.689  1.00 18.68           N  
-ATOM    403  CA  CYS B 124     -30.036  67.796   7.385  1.00 18.35           C  
-ATOM    404  C   CYS B 124     -29.075  68.899   6.979  1.00 20.00           C  
-ATOM    405  O   CYS B 124     -28.788  69.791   7.772  1.00 20.56           O  
-ATOM    406  CB  CYS B 124     -31.460  68.327   7.402  1.00 15.26           C  
-ATOM    407  SG  CYS B 124     -31.908  69.179   5.894  1.00 18.47           S  
-ATOM    408  N   PHE B 125     -28.579  68.857   5.746  1.00 18.71           N  
-ATOM    409  CA  PHE B 125     -27.639  69.890   5.304  1.00 15.78           C  
-ATOM    410  C   PHE B 125     -28.302  71.251   5.314  1.00 18.78           C  
-ATOM    411  O   PHE B 125     -27.622  72.278   5.480  1.00 21.47           O  
-ATOM    412  CB  PHE B 125     -27.096  69.605   3.894  1.00 15.88           C  
-ATOM    413  CG  PHE B 125     -28.030  70.042   2.796  1.00 15.82           C  
-ATOM    414  CD1 PHE B 125     -29.064  69.210   2.387  1.00 17.59           C  
-ATOM    415  CD2 PHE B 125     -27.901  71.303   2.204  1.00 14.73           C  
-ATOM    416  CE1 PHE B 125     -29.951  69.609   1.384  1.00 19.10           C  
-ATOM    417  CE2 PHE B 125     -28.782  71.709   1.200  1.00 17.50           C  
-ATOM    418  CZ  PHE B 125     -29.802  70.867   0.797  1.00 15.51           C  
-ATOM    419  N   PHE B 126     -29.622  71.280   5.106  1.00 15.40           N  
-ATOM    420  CA  PHE B 126     -30.299  72.573   5.022  1.00 18.34           C  
-ATOM    421  C   PHE B 126     -30.728  73.122   6.373  1.00 21.24           C  
-ATOM    422  O   PHE B 126     -30.286  74.208   6.758  1.00 24.07           O  
-ATOM    423  CB  PHE B 126     -31.484  72.604   4.028  1.00 17.06           C  
-ATOM    424  CG  PHE B 126     -31.955  73.995   3.763  1.00 24.05           C  
-ATOM    425  CD1 PHE B 126     -32.771  74.641   4.680  1.00 18.50           C  
-ATOM    426  CD2 PHE B 126     -31.499  74.702   2.652  1.00 24.18           C  
-ATOM    427  CE1 PHE B 126     -33.137  75.959   4.504  1.00 23.16           C  
-ATOM    428  CE2 PHE B 126     -31.882  76.025   2.456  1.00 25.91           C  
-ATOM    429  CZ  PHE B 126     -32.697  76.655   3.387  1.00 24.35           C  
-ATOM    430  N   CYS B 127     -31.592  72.397   7.090  1.00 15.05           N  
-ATOM    431  CA  CYS B 127     -32.141  72.940   8.322  1.00 16.41           C  
-ATOM    432  C   CYS B 127     -31.283  72.572   9.514  1.00 19.23           C  
-ATOM    433  O   CYS B 127     -31.508  73.074  10.613  1.00 21.15           O  
-ATOM    434  CB  CYS B 127     -33.603  72.491   8.547  1.00 14.73           C  
-ATOM    435  SG  CYS B 127     -33.736  70.719   8.818  1.00 17.10           S  
-ATOM    436  N   TYR B 128     -30.306  71.691   9.292  1.00 18.70           N  
-ATOM    437  CA  TYR B 128     -29.457  71.186  10.364  1.00 19.82           C  
-ATOM    438  C   TYR B 128     -30.229  70.407  11.430  1.00 20.09           C  
-ATOM    439  O   TYR B 128     -29.736  70.213  12.537  1.00 18.49           O  
-ATOM    440  CB  TYR B 128     -28.609  72.305  11.009  1.00 21.74           C  
-ATOM    441  CG  TYR B 128     -27.263  71.788  11.450  1.00 21.60           C  
-ATOM    442  CD1 TYR B 128     -26.414  71.147  10.537  1.00 23.94           C  
-ATOM    443  CD2 TYR B 128     -26.843  71.898  12.781  1.00 19.89           C  
-ATOM    444  CE1 TYR B 128     -25.172  70.635  10.934  1.00 24.25           C  
-ATOM    445  CE2 TYR B 128     -25.598  71.387  13.189  1.00 25.29           C  
-ATOM    446  CZ  TYR B 128     -24.768  70.762  12.249  1.00 25.68           C  
-ATOM    447  OH  TYR B 128     -23.538  70.258  12.612  1.00 30.39           O  
-ATOM    448  N   GLY B 129     -31.429  69.945  11.082  1.00 20.31           N  
-ATOM    449  CA  GLY B 129     -32.191  69.077  11.958  1.00 16.32           C  
-ATOM    450  C   GLY B 129     -31.399  67.815  12.251  1.00 20.32           C  
-ATOM    451  O   GLY B 129     -30.885  67.181  11.339  1.00 20.58           O  
-ATOM    452  N   GLY B 130     -31.311  67.447  13.523  1.00 19.85           N  
-ATOM    453  CA  GLY B 130     -30.520  66.309  13.922  1.00 17.49           C  
-ATOM    454  C   GLY B 130     -31.387  65.180  14.411  1.00 19.90           C  
-ATOM    455  O   GLY B 130     -32.245  65.369  15.273  1.00 22.37           O  
-ATOM    456  N   LEU B 131     -31.152  63.996  13.866  1.00 16.38           N  
-ATOM    457  CA  LEU B 131     -31.941  62.829  14.215  1.00 21.59           C  
-ATOM    458  C   LEU B 131     -31.042  61.614  14.364  1.00 24.36           C  
-ATOM    459  O   LEU B 131     -30.025  61.478  13.675  1.00 23.10           O  
-ATOM    460  CB  LEU B 131     -32.982  62.541  13.136  1.00 19.39           C  
-ATOM    461  CG  LEU B 131     -34.113  63.548  12.938  1.00 18.69           C  
-ATOM    462  CD1 LEU B 131     -34.965  63.156  11.755  1.00 17.20           C  
-ATOM    463  CD2 LEU B 131     -34.960  63.629  14.198  1.00 15.04           C  
-ATOM    464  N   GLN B 132     -31.439  60.723  15.256  1.00 19.28           N  
-ATOM    465  CA  GLN B 132     -30.684  59.512  15.503  1.00 24.51           C  
-ATOM    466  C   GLN B 132     -31.678  58.450  15.959  1.00 27.77           C  
-ATOM    467  O   GLN B 132     -32.892  58.676  15.901  1.00 25.99           O  
-ATOM    468  CB  GLN B 132     -29.627  59.772  16.583  1.00 24.68           C  
-ATOM    469  CG  GLN B 132     -30.227  60.277  17.895  1.00 24.28           C  
-ATOM    470  CD  GLN B 132     -29.175  60.620  18.902  1.00 30.48           C  
-ATOM    471  OE1 GLN B 132     -28.563  61.677  18.818  1.00 37.31           O  
-ATOM    472  NE2 GLN B 132     -28.935  59.717  19.847  1.00 33.46           N  
-ATOM    473  N   SER B 133     -31.162  57.306  16.419  1.00 30.29           N  
-ATOM    474  CA  SER B 133     -31.983  56.170  16.853  1.00 32.20           C  
-ATOM    475  C   SER B 133     -32.876  55.688  15.730  1.00 34.36           C  
-ATOM    476  O   SER B 133     -34.038  55.356  15.944  1.00 37.33           O  
-ATOM    477  CB  SER B 133     -32.806  56.512  18.097  1.00 32.59           C  
-ATOM    478  OG  SER B 133     -31.957  57.029  19.110  1.00 35.41           O  
-ATOM    479  N   TRP B 134     -32.314  55.656  14.529  1.00 31.78           N  
-ATOM    480  CA  TRP B 134     -33.010  55.156  13.359  1.00 32.10           C  
-ATOM    481  C   TRP B 134     -33.304  53.664  13.484  1.00 36.41           C  
-ATOM    482  O   TRP B 134     -32.426  52.864  13.830  1.00 36.75           O  
-ATOM    483  CB  TRP B 134     -32.192  55.430  12.095  1.00 26.80           C  
-ATOM    484  CG  TRP B 134     -32.082  56.887  11.799  1.00 26.56           C  
-ATOM    485  CD1 TRP B 134     -31.079  57.725  12.182  1.00 26.42           C  
-ATOM    486  CD2 TRP B 134     -33.024  57.689  11.081  1.00 23.52           C  
-ATOM    487  NE1 TRP B 134     -31.324  58.999  11.734  1.00 23.94           N  
-ATOM    488  CE2 TRP B 134     -32.517  59.005  11.054  1.00 22.70           C  
-ATOM    489  CE3 TRP B 134     -34.247  57.427  10.451  1.00 21.62           C  
-ATOM    490  CZ2 TRP B 134     -33.188  60.054  10.428  1.00 21.99           C  
-ATOM    491  CZ3 TRP B 134     -34.910  58.458   9.824  1.00 21.50           C  
-ATOM    492  CH2 TRP B 134     -34.380  59.765   9.819  1.00 25.61           C  
-ATOM    493  N   LYS B 135     -34.548  53.307  13.188  1.00 38.58           N  
-ATOM    494  CA  LYS B 135     -35.019  51.940  13.315  1.00 43.87           C  
-ATOM    495  C   LYS B 135     -35.650  51.523  12.001  1.00 42.88           C  
-ATOM    496  O   LYS B 135     -36.155  52.373  11.256  1.00 38.86           O  
-ATOM    497  CB  LYS B 135     -36.057  51.853  14.436  1.00 50.06           C  
-ATOM    498  CG  LYS B 135     -35.519  51.353  15.774  1.00 58.37           C  
-ATOM    499  CD  LYS B 135     -36.572  50.501  16.481  1.00 65.49           C  
-ATOM    500  CE  LYS B 135     -36.013  49.789  17.707  1.00 68.92           C  
-ATOM    501  NZ  LYS B 135     -37.108  49.335  18.614  1.00 68.60           N  
-ATOM    502  N   ARG B 136     -35.625  50.221  11.721  1.00 41.42           N  
-ATOM    503  CA  ARG B 136     -36.240  49.666  10.516  1.00 42.01           C  
-ATOM    504  C   ARG B 136     -37.633  50.256  10.278  1.00 36.71           C  
-ATOM    505  O   ARG B 136     -38.439  50.372  11.208  1.00 34.24           O  
-ATOM    506  CB  ARG B 136     -36.314  48.137  10.604  1.00 50.24           C  
-ATOM    507  CG  ARG B 136     -36.744  47.452   9.309  1.00 57.80           C  
-ATOM    508  CD  ARG B 136     -35.817  46.335   8.852  1.00 66.99           C  
-ATOM    509  NE  ARG B 136     -35.874  45.167   9.733  1.00 74.89           N  
-ATOM    510  CZ  ARG B 136     -36.381  43.983   9.391  1.00 80.41           C  
-ATOM    511  NH1 ARG B 136     -36.887  43.789   8.175  1.00 82.11           N  
-ATOM    512  NH2 ARG B 136     -36.386  42.985  10.269  1.00 81.12           N  
-ATOM    513  N   GLY B 137     -37.879  50.663   9.038  1.00 31.94           N  
-ATOM    514  CA  GLY B 137     -39.159  51.209   8.639  1.00 37.12           C  
-ATOM    515  C   GLY B 137     -39.326  52.705   8.859  1.00 37.97           C  
-ATOM    516  O   GLY B 137     -40.284  53.280   8.345  1.00 43.69           O  
-ATOM    517  N   ASP B 138     -38.431  53.329   9.630  1.00 33.22           N  
-ATOM    518  CA  ASP B 138     -38.430  54.788   9.765  1.00 33.72           C  
-ATOM    519  C   ASP B 138     -38.170  55.380   8.392  1.00 29.26           C  
-ATOM    520  O   ASP B 138     -37.204  55.013   7.727  1.00 33.20           O  
-ATOM    521  CB  ASP B 138     -37.341  55.267  10.726  1.00 36.03           C  
-ATOM    522  CG  ASP B 138     -37.676  55.008  12.175  1.00 38.81           C  
-ATOM    523  OD1 ASP B 138     -38.808  54.566  12.466  1.00 45.55           O  
-ATOM    524  OD2 ASP B 138     -36.859  55.211  13.097  1.00 39.38           O  
-ATOM    525  N   ASP B 139     -39.052  56.267   7.956  1.00 26.97           N  
-ATOM    526  CA  ASP B 139     -38.907  56.884   6.653  1.00 26.53           C  
-ATOM    527  C   ASP B 139     -38.277  58.279   6.783  1.00 19.87           C  
-ATOM    528  O   ASP B 139     -38.872  59.190   7.347  1.00 23.75           O  
-ATOM    529  CB  ASP B 139     -40.246  56.951   5.932  1.00 26.19           C  
-ATOM    530  CG  ASP B 139     -40.141  57.646   4.610  1.00 29.04           C  
-ATOM    531  OD1 ASP B 139     -39.595  57.139   3.603  1.00 34.20           O  
-ATOM    532  OD2 ASP B 139     -40.604  58.791   4.528  1.00 33.79           O  
-ATOM    533  N   PRO B 140     -37.061  58.434   6.275  1.00 18.63           N  
-ATOM    534  CA  PRO B 140     -36.322  59.700   6.418  1.00 18.48           C  
-ATOM    535  C   PRO B 140     -37.130  60.953   6.060  1.00 18.44           C  
-ATOM    536  O   PRO B 140     -37.077  61.911   6.829  1.00 18.91           O  
-ATOM    537  CB  PRO B 140     -35.133  59.511   5.476  1.00 15.32           C  
-ATOM    538  CG  PRO B 140     -34.871  58.029   5.577  1.00 20.21           C  
-ATOM    539  CD  PRO B 140     -36.265  57.405   5.575  1.00 15.66           C  
-ATOM    540  N   TRP B 141     -37.849  60.956   4.937  1.00 17.01           N  
-ATOM    541  CA  TRP B 141     -38.658  62.116   4.563  1.00 17.41           C  
-ATOM    542  C   TRP B 141     -39.759  62.372   5.571  1.00 17.41           C  
-ATOM    543  O   TRP B 141     -40.018  63.515   5.922  1.00 15.65           O  
-ATOM    544  CB  TRP B 141     -39.300  61.923   3.191  1.00 19.46           C  
-ATOM    545  CG  TRP B 141     -38.459  62.319   2.045  1.00 19.41           C  
-ATOM    546  CD1 TRP B 141     -38.212  61.574   0.904  1.00 17.68           C  
-ATOM    547  CD2 TRP B 141     -37.744  63.548   1.885  1.00 19.02           C  
-ATOM    548  NE1 TRP B 141     -37.402  62.285   0.058  1.00 21.18           N  
-ATOM    549  CE2 TRP B 141     -37.095  63.495   0.633  1.00 20.22           C  
-ATOM    550  CE3 TRP B 141     -37.581  64.699   2.676  1.00 21.37           C  
-ATOM    551  CZ2 TRP B 141     -36.317  64.541   0.153  1.00 21.01           C  
-ATOM    552  CZ3 TRP B 141     -36.798  65.741   2.197  1.00 21.43           C  
-ATOM    553  CH2 TRP B 141     -36.184  65.657   0.948  1.00 19.67           C  
-ATOM    554  N   THR B 142     -40.415  61.305   6.031  1.00 15.93           N  
-ATOM    555  CA  THR B 142     -41.480  61.466   7.012  1.00 19.77           C  
-ATOM    556  C   THR B 142     -40.927  62.094   8.306  1.00 16.02           C  
-ATOM    557  O   THR B 142     -41.498  63.039   8.856  1.00 19.98           O  
-ATOM    558  CB  THR B 142     -42.132  60.102   7.288  1.00 23.39           C  
-ATOM    559  OG1 THR B 142     -42.666  59.580   6.066  1.00 21.01           O  
-ATOM    560  CG2 THR B 142     -43.355  60.253   8.197  1.00 20.10           C  
-ATOM    561  N   GLU B 143     -39.795  61.570   8.763  1.00 15.53           N  
-ATOM    562  CA  GLU B 143     -39.136  62.078   9.959  1.00 16.00           C  
-ATOM    563  C   GLU B 143     -38.729  63.523   9.771  1.00 17.38           C  
-ATOM    564  O   GLU B 143     -38.902  64.338  10.669  1.00 18.02           O  
-ATOM    565  CB  GLU B 143     -37.922  61.232  10.288  1.00 15.44           C  
-ATOM    566  CG  GLU B 143     -38.263  59.801  10.635  1.00 17.46           C  
-ATOM    567  CD  GLU B 143     -38.975  59.675  11.972  1.00 25.99           C  
-ATOM    568  OE1 GLU B 143     -39.126  60.686  12.687  1.00 27.50           O  
-ATOM    569  OE2 GLU B 143     -39.363  58.549  12.325  1.00 33.74           O  
-ATOM    570  N   HIS B 144     -38.226  63.836   8.581  1.00 12.66           N  
-ATOM    571  CA  HIS B 144     -37.855  65.199   8.237  1.00 14.69           C  
-ATOM    572  C   HIS B 144     -39.050  66.123   8.422  1.00 15.97           C  
-ATOM    573  O   HIS B 144     -38.940  67.157   9.058  1.00 17.02           O  
-ATOM    574  CB  HIS B 144     -37.349  65.264   6.783  1.00 15.11           C  
-ATOM    575  CG  HIS B 144     -36.284  66.292   6.552  1.00 14.35           C  
-ATOM    576  ND1 HIS B 144     -35.241  66.092   5.677  1.00 18.75           N  
-ATOM    577  CD2 HIS B 144     -36.098  67.527   7.079  1.00 17.27           C  
-ATOM    578  CE1 HIS B 144     -34.459  67.156   5.671  1.00 16.20           C  
-ATOM    579  NE2 HIS B 144     -34.950  68.037   6.523  1.00 20.66           N  
-ATOM    580  N   ALA B 145     -40.194  65.742   7.852  1.00 15.24           N  
-ATOM    581  CA  ALA B 145     -41.396  66.574   7.901  1.00 16.41           C  
-ATOM    582  C   ALA B 145     -41.964  66.636   9.311  1.00 16.48           C  
-ATOM    583  O   ALA B 145     -42.490  67.659   9.734  1.00 16.76           O  
-ATOM    584  CB  ALA B 145     -42.458  66.040   6.902  1.00  9.85           C  
-ATOM    585  N   LYS B 146     -41.827  65.537  10.042  1.00 16.32           N  
-ATOM    586  CA  LYS B 146     -42.331  65.465  11.403  1.00 19.89           C  
-ATOM    587  C   LYS B 146     -41.573  66.405  12.341  1.00 19.62           C  
-ATOM    588  O   LYS B 146     -42.161  67.159  13.121  1.00 18.80           O  
-ATOM    589  CB  LYS B 146     -42.259  64.017  11.900  1.00 16.99           C  
-ATOM    590  CG  LYS B 146     -42.485  63.880  13.395  1.00 29.66           C  
-ATOM    591  CD  LYS B 146     -42.315  62.436  13.860  1.00 35.37           C  
-ATOM    592  CE  LYS B 146     -42.526  62.341  15.372  1.00 41.02           C  
-ATOM    593  NZ  LYS B 146     -42.385  60.939  15.874  1.00 43.76           N  
-ATOM    594  N   TRP B 147     -40.255  66.381  12.243  1.00 20.71           N  
-ATOM    595  CA  TRP B 147     -39.438  67.141  13.172  1.00 17.41           C  
-ATOM    596  C   TRP B 147     -39.077  68.528  12.694  1.00 17.02           C  
-ATOM    597  O   TRP B 147     -38.936  69.447  13.503  1.00 16.27           O  
-ATOM    598  CB  TRP B 147     -38.176  66.353  13.450  1.00 19.66           C  
-ATOM    599  CG  TRP B 147     -38.461  65.075  14.126  1.00 19.34           C  
-ATOM    600  CD1 TRP B 147     -38.366  63.826  13.590  1.00 18.51           C  
-ATOM    601  CD2 TRP B 147     -38.890  64.903  15.480  1.00 21.91           C  
-ATOM    602  NE1 TRP B 147     -38.694  62.881  14.530  1.00 21.21           N  
-ATOM    603  CE2 TRP B 147     -39.019  63.515  15.704  1.00 25.28           C  
-ATOM    604  CE3 TRP B 147     -39.158  65.784  16.542  1.00 27.88           C  
-ATOM    605  CZ2 TRP B 147     -39.412  62.982  16.947  1.00 30.38           C  
-ATOM    606  CZ3 TRP B 147     -39.552  65.258  17.778  1.00 28.57           C  
-ATOM    607  CH2 TRP B 147     -39.682  63.866  17.965  1.00 29.11           C  
-ATOM    608  N   PHE B 148     -38.904  68.690  11.380  1.00 17.88           N  
-ATOM    609  CA  PHE B 148     -38.389  69.953  10.841  1.00 16.86           C  
-ATOM    610  C   PHE B 148     -39.253  70.505   9.715  1.00 15.86           C  
-ATOM    611  O   PHE B 148     -38.786  70.658   8.587  1.00 17.26           O  
-ATOM    612  CB  PHE B 148     -36.928  69.765  10.402  1.00 17.99           C  
-ATOM    613  CG  PHE B 148     -36.153  68.873  11.319  1.00 15.85           C  
-ATOM    614  CD1 PHE B 148     -35.904  69.257  12.635  1.00 17.00           C  
-ATOM    615  CD2 PHE B 148     -35.697  67.636  10.883  1.00 17.84           C  
-ATOM    616  CE1 PHE B 148     -35.219  68.410  13.508  1.00 12.44           C  
-ATOM    617  CE2 PHE B 148     -34.983  66.805  11.736  1.00 16.25           C  
-ATOM    618  CZ  PHE B 148     -34.759  67.187  13.053  1.00 14.02           C  
-ATOM    619  N   PRO B 149     -40.514  70.816  10.021  1.00 15.33           N  
-ATOM    620  CA  PRO B 149     -41.495  71.122   8.972  1.00 16.31           C  
-ATOM    621  C   PRO B 149     -41.170  72.379   8.167  1.00 19.43           C  
-ATOM    622  O   PRO B 149     -41.621  72.485   7.040  1.00 20.24           O  
-ATOM    623  CB  PRO B 149     -42.823  71.278   9.744  1.00 15.73           C  
-ATOM    624  CG  PRO B 149     -42.398  71.643  11.134  1.00 15.06           C  
-ATOM    625  CD  PRO B 149     -41.108  70.880  11.373  1.00 14.92           C  
-ATOM    626  N   SER B 150     -40.376  73.300   8.704  1.00 21.22           N  
-ATOM    627  CA  SER B 150     -40.097  74.524   7.959  1.00 17.40           C  
-ATOM    628  C   SER B 150     -38.825  74.422   7.086  1.00 14.98           C  
-ATOM    629  O   SER B 150     -38.451  75.371   6.418  1.00 17.66           O  
-ATOM    630  CB  SER B 150     -40.035  75.715   8.912  1.00 22.40           C  
-ATOM    631  OG  SER B 150     -38.710  75.852   9.391  1.00 33.34           O  
-ATOM    632  N   CYS B 151     -38.164  73.270   7.098  1.00 16.49           N  
-ATOM    633  CA  CYS B 151     -36.958  73.087   6.302  1.00 18.83           C  
-ATOM    634  C   CYS B 151     -37.273  73.332   4.833  1.00 18.70           C  
-ATOM    635  O   CYS B 151     -38.121  72.653   4.240  1.00 19.66           O  
-ATOM    636  CB  CYS B 151     -36.415  71.673   6.469  1.00 16.85           C  
-ATOM    637  SG  CYS B 151     -35.047  71.326   5.335  1.00 17.24           S  
-ATOM    638  N   GLN B 152     -36.574  74.286   4.237  1.00 18.17           N  
-ATOM    639  CA  GLN B 152     -36.859  74.671   2.851  1.00 21.49           C  
-ATOM    640  C   GLN B 152     -36.499  73.565   1.864  1.00 19.81           C  
-ATOM    641  O   GLN B 152     -37.148  73.416   0.828  1.00 17.73           O  
-ATOM    642  CB  GLN B 152     -36.158  75.982   2.495  1.00 22.81           C  
-ATOM    643  CG  GLN B 152     -36.858  77.206   3.096  1.00 27.78           C  
-ATOM    644  CD  GLN B 152     -35.896  78.368   3.322  1.00 32.44           C  
-ATOM    645  OE1 GLN B 152     -35.605  79.123   2.393  1.00 38.08           O  
-ATOM    646  NE2 GLN B 152     -35.394  78.506   4.549  1.00 31.05           N  
-ATOM    647  N   PHE B 153     -35.475  72.777   2.193  1.00 18.38           N  
-ATOM    648  CA  PHE B 153     -35.083  71.685   1.321  1.00 17.60           C  
-ATOM    649  C   PHE B 153     -36.164  70.616   1.332  1.00 13.82           C  
-ATOM    650  O   PHE B 153     -36.520  70.048   0.299  1.00 18.49           O  
-ATOM    651  CB  PHE B 153     -33.748  71.068   1.751  1.00 14.92           C  
-ATOM    652  CG  PHE B 153     -33.408  69.808   0.986  1.00 16.24           C  
-ATOM    653  CD1 PHE B 153     -32.981  69.881  -0.338  1.00 17.75           C  
-ATOM    654  CD2 PHE B 153     -33.566  68.562   1.572  1.00 15.57           C  
-ATOM    655  CE1 PHE B 153     -32.669  68.727  -1.062  1.00 19.54           C  
-ATOM    656  CE2 PHE B 153     -33.265  67.391   0.855  1.00 18.54           C  
-ATOM    657  CZ  PHE B 153     -32.818  67.482  -0.467  1.00 19.91           C  
-ATOM    658  N   LEU B 154     -36.663  70.334   2.524  1.00 14.63           N  
-ATOM    659  CA  LEU B 154     -37.761  69.414   2.684  1.00 18.79           C  
-ATOM    660  C   LEU B 154     -38.964  69.935   1.893  1.00 17.34           C  
-ATOM    661  O   LEU B 154     -39.551  69.201   1.104  1.00 17.07           O  
-ATOM    662  CB  LEU B 154     -38.104  69.269   4.160  1.00 16.75           C  
-ATOM    663  CG  LEU B 154     -39.523  68.782   4.477  1.00 21.35           C  
-ATOM    664  CD1 LEU B 154     -39.714  67.286   4.185  1.00 16.74           C  
-ATOM    665  CD2 LEU B 154     -39.841  69.098   5.934  1.00 21.09           C  
-ATOM    666  N   LEU B 155     -39.303  71.211   2.094  1.00 18.20           N  
-ATOM    667  CA  LEU B 155     -40.480  71.786   1.458  1.00 20.36           C  
-ATOM    668  C   LEU B 155     -40.342  71.810  -0.066  1.00 21.50           C  
-ATOM    669  O   LEU B 155     -41.288  71.516  -0.781  1.00 21.95           O  
-ATOM    670  CB  LEU B 155     -40.775  73.177   2.013  1.00 21.36           C  
-ATOM    671  CG  LEU B 155     -41.459  73.166   3.389  1.00 23.64           C  
-ATOM    672  CD1 LEU B 155     -41.341  74.544   4.068  1.00 19.47           C  
-ATOM    673  CD2 LEU B 155     -42.935  72.734   3.274  1.00 23.17           C  
-ATOM    674  N   ARG B 156     -39.150  72.134  -0.548  1.00 20.67           N  
-ATOM    675  CA  ARG B 156     -38.877  72.146  -1.974  1.00 19.79           C  
-ATOM    676  C   ARG B 156     -39.002  70.747  -2.535  1.00 18.70           C  
-ATOM    677  O   ARG B 156     -39.494  70.562  -3.648  1.00 18.14           O  
-ATOM    678  CB  ARG B 156     -37.461  72.661  -2.225  1.00 25.29           C  
-ATOM    679  CG  ARG B 156     -37.127  72.942  -3.668  1.00 40.73           C  
-ATOM    680  CD  ARG B 156     -35.629  73.059  -3.936  1.00 50.40           C  
-ATOM    681  NE  ARG B 156     -35.214  74.447  -4.135  1.00 56.22           N  
-ATOM    682  CZ  ARG B 156     -34.020  74.824  -4.598  1.00 60.78           C  
-ATOM    683  NH1 ARG B 156     -33.098  73.917  -4.918  1.00 59.31           N  
-ATOM    684  NH2 ARG B 156     -33.745  76.116  -4.740  1.00 60.96           N  
-ATOM    685  N   SER B 157     -38.533  69.758  -1.773  1.00 14.64           N  
-ATOM    686  CA  SER B 157     -38.441  68.402  -2.289  1.00 18.35           C  
-ATOM    687  C   SER B 157     -39.774  67.682  -2.228  1.00 20.72           C  
-ATOM    688  O   SER B 157     -40.133  66.949  -3.160  1.00 17.62           O  
-ATOM    689  CB  SER B 157     -37.423  67.570  -1.497  1.00 19.84           C  
-ATOM    690  OG  SER B 157     -36.104  68.024  -1.658  1.00 23.18           O  
-ATOM    691  N   LYS B 158     -40.491  67.877  -1.118  1.00 14.87           N  
-ATOM    692  CA  LYS B 158     -41.666  67.064  -0.832  1.00 16.17           C  
-ATOM    693  C   LYS B 158     -42.965  67.846  -0.960  1.00 14.29           C  
-ATOM    694  O   LYS B 158     -44.014  67.249  -1.088  1.00 16.95           O  
-ATOM    695  CB  LYS B 158     -41.545  66.441   0.565  1.00 15.26           C  
-ATOM    696  CG  LYS B 158     -40.412  65.423   0.707  1.00 16.30           C  
-ATOM    697  CD  LYS B 158     -40.590  64.227  -0.206  1.00 16.05           C  
-ATOM    698  CE  LYS B 158     -41.758  63.372   0.285  1.00 21.54           C  
-ATOM    699  NZ  LYS B 158     -42.082  62.322  -0.696  1.00 27.17           N  
-ATOM    700  N   GLY B 159     -42.879  69.175  -0.918  1.00 14.60           N  
-ATOM    701  CA  GLY B 159     -44.040  70.041  -1.052  1.00 19.90           C  
-ATOM    702  C   GLY B 159     -44.696  70.334   0.286  1.00 21.51           C  
-ATOM    703  O   GLY B 159     -44.535  69.569   1.242  1.00 17.65           O  
-ATOM    704  N   ARG B 160     -45.439  71.436   0.343  1.00 19.76           N  
-ATOM    705  CA  ARG B 160     -46.174  71.818   1.552  1.00 23.35           C  
-ATOM    706  C   ARG B 160     -47.199  70.768   1.987  1.00 20.73           C  
-ATOM    707  O   ARG B 160     -47.361  70.508   3.175  1.00 23.76           O  
-ATOM    708  CB  ARG B 160     -46.871  73.161   1.352  1.00 29.51           C  
-ATOM    709  CG  ARG B 160     -45.938  74.364   1.388  1.00 41.96           C  
-ATOM    710  CD  ARG B 160     -46.588  75.661   0.913  1.00 54.15           C  
-ATOM    711  NE  ARG B 160     -47.029  76.501   2.026  1.00 65.04           N  
-ATOM    712  CZ  ARG B 160     -48.223  77.091   2.107  1.00 71.63           C  
-ATOM    713  NH1 ARG B 160     -49.123  76.946   1.138  1.00 72.75           N  
-ATOM    714  NH2 ARG B 160     -48.520  77.831   3.169  1.00 74.30           N  
-ATOM    715  N   ASP B 161     -47.891  70.170   1.027  1.00 16.65           N  
-ATOM    716  CA  ASP B 161     -48.938  69.196   1.347  1.00 19.32           C  
-ATOM    717  C   ASP B 161     -48.392  68.028   2.141  1.00 18.15           C  
-ATOM    718  O   ASP B 161     -48.963  67.639   3.169  1.00 19.65           O  
-ATOM    719  CB  ASP B 161     -49.643  68.712   0.083  1.00 17.32           C  
-ATOM    720  CG  ASP B 161     -50.427  69.813  -0.593  1.00 24.03           C  
-ATOM    721  OD1 ASP B 161     -50.489  70.930  -0.025  1.00 27.61           O  
-ATOM    722  OD2 ASP B 161     -51.028  69.656  -1.679  1.00 26.64           O  
-ATOM    723  N   PHE B 162     -47.280  67.482   1.675  1.00 15.64           N  
-ATOM    724  CA  PHE B 162     -46.642  66.380   2.364  1.00 15.26           C  
-ATOM    725  C   PHE B 162     -46.325  66.741   3.809  1.00 16.87           C  
-ATOM    726  O   PHE B 162     -46.617  65.984   4.741  1.00 20.81           O  
-ATOM    727  CB  PHE B 162     -45.348  65.990   1.666  1.00 14.87           C  
-ATOM    728  CG  PHE B 162     -44.597  64.886   2.363  1.00 13.69           C  
-ATOM    729  CD1 PHE B 162     -44.937  63.558   2.149  1.00 17.59           C  
-ATOM    730  CD2 PHE B 162     -43.550  65.181   3.239  1.00 13.54           C  
-ATOM    731  CE1 PHE B 162     -44.220  62.516   2.782  1.00 15.32           C  
-ATOM    732  CE2 PHE B 162     -42.842  64.155   3.875  1.00 15.69           C  
-ATOM    733  CZ  PHE B 162     -43.192  62.825   3.653  1.00 14.93           C  
-ATOM    734  N   VAL B 163     -45.715  67.901   3.985  1.00 18.21           N  
-ATOM    735  CA  VAL B 163     -45.263  68.316   5.291  1.00 16.70           C  
-ATOM    736  C   VAL B 163     -46.478  68.549   6.178  1.00 18.99           C  
-ATOM    737  O   VAL B 163     -46.532  68.091   7.318  1.00 18.59           O  
-ATOM    738  CB  VAL B 163     -44.406  69.586   5.188  1.00 18.61           C  
-ATOM    739  CG1 VAL B 163     -44.125  70.155   6.572  1.00 16.57           C  
-ATOM    740  CG2 VAL B 163     -43.102  69.270   4.452  1.00 15.65           C  
-ATOM    741  N   HIS B 164     -47.454  69.268   5.644  1.00 19.49           N  
-ATOM    742  CA  HIS B 164     -48.692  69.502   6.363  1.00 23.78           C  
-ATOM    743  C   HIS B 164     -49.372  68.170   6.754  1.00 20.56           C  
-ATOM    744  O   HIS B 164     -49.814  67.995   7.884  1.00 18.80           O  
-ATOM    745  CB  HIS B 164     -49.615  70.352   5.504  1.00 27.98           C  
-ATOM    746  CG  HIS B 164     -50.885  70.730   6.182  1.00 33.82           C  
-ATOM    747  ND1 HIS B 164     -52.067  70.060   5.965  1.00 35.73           N  
-ATOM    748  CD2 HIS B 164     -51.162  71.710   7.074  1.00 40.06           C  
-ATOM    749  CE1 HIS B 164     -53.023  70.621   6.685  1.00 39.01           C  
-ATOM    750  NE2 HIS B 164     -52.499  71.620   7.372  1.00 39.10           N  
-ATOM    751  N   SER B 165     -49.419  67.229   5.819  1.00 16.75           N  
-ATOM    752  CA  SER B 165     -50.024  65.926   6.074  1.00 19.20           C  
-ATOM    753  C   SER B 165     -49.288  65.161   7.169  1.00 21.00           C  
-ATOM    754  O   SER B 165     -49.912  64.579   8.056  1.00 16.56           O  
-ATOM    755  CB  SER B 165     -50.055  65.099   4.796  1.00 13.57           C  
-ATOM    756  OG  SER B 165     -50.933  65.710   3.871  1.00 19.48           O  
-ATOM    757  N   VAL B 166     -47.963  65.164   7.102  1.00 17.25           N  
-ATOM    758  CA  VAL B 166     -47.167  64.513   8.131  1.00 18.10           C  
-ATOM    759  C   VAL B 166     -47.384  65.181   9.485  1.00 17.48           C  
-ATOM    760  O   VAL B 166     -47.526  64.486  10.489  1.00 21.09           O  
-ATOM    761  CB  VAL B 166     -45.660  64.472   7.778  1.00 17.70           C  
-ATOM    762  CG1 VAL B 166     -44.842  63.953   8.961  1.00 13.99           C  
-ATOM    763  CG2 VAL B 166     -45.447  63.568   6.574  1.00 13.97           C  
-ATOM    764  N   GLN B 167     -47.438  66.512   9.518  1.00 20.44           N  
-ATOM    765  CA  GLN B 167     -47.694  67.230  10.781  1.00 23.69           C  
-ATOM    766  C   GLN B 167     -49.043  66.824  11.409  1.00 27.57           C  
-ATOM    767  O   GLN B 167     -49.119  66.576  12.612  1.00 28.40           O  
-ATOM    768  CB  GLN B 167     -47.614  68.756  10.592  1.00 23.03           C  
-ATOM    769  CG  GLN B 167     -46.175  69.307  10.470  1.00 25.10           C  
-ATOM    770  CD  GLN B 167     -45.394  69.201  11.772  1.00 25.74           C  
-ATOM    771  OE1 GLN B 167     -45.808  69.741  12.779  1.00 27.71           O  
-ATOM    772  NE2 GLN B 167     -44.267  68.507  11.746  1.00 26.67           N  
-ATOM    773  N   GLU B 168     -50.095  66.731  10.591  1.00 26.11           N  
-ATOM    774  CA  GLU B 168     -51.416  66.323  11.085  1.00 30.60           C  
-ATOM    775  C   GLU B 168     -51.480  64.878  11.568  1.00 29.13           C  
-ATOM    776  O   GLU B 168     -52.247  64.574  12.465  1.00 32.85           O  
-ATOM    777  CB  GLU B 168     -52.496  66.467  10.014  1.00 35.17           C  
-ATOM    778  CG  GLU B 168     -52.686  67.834   9.404  1.00 42.10           C  
-ATOM    779  CD  GLU B 168     -53.702  67.768   8.284  1.00 49.48           C  
-ATOM    780  OE1 GLU B 168     -54.912  67.737   8.593  1.00 51.99           O  
-ATOM    781  OE2 GLU B 168     -53.293  67.702   7.101  1.00 54.63           O  
-ATOM    782  N   THR B 169     -50.725  63.979  10.946  1.00 27.08           N  
-ATOM    783  CA  THR B 169     -50.823  62.568  11.303  1.00 32.04           C  
-ATOM    784  C   THR B 169     -49.797  62.129  12.342  1.00 39.98           C  
-ATOM    785  O   THR B 169     -49.930  61.056  12.934  1.00 41.22           O  
-ATOM    786  CB  THR B 169     -50.699  61.684  10.075  1.00 33.28           C  
-ATOM    787  OG1 THR B 169     -49.483  61.991   9.393  1.00 33.39           O  
-ATOM    788  CG2 THR B 169     -51.768  62.037   9.050  1.00 36.13           C  
-ATOM    789  N   HIS B 170     -48.762  62.940  12.534  1.00 43.22           N  
-ATOM    790  CA  HIS B 170     -47.675  62.596  13.444  1.00 49.80           C  
-ATOM    791  C   HIS B 170     -47.542  63.674  14.514  1.00 57.58           C  
-ATOM    792  O   HIS B 170     -46.478  64.286  14.661  1.00 60.18           O  
-ATOM    793  CB  HIS B 170     -46.354  62.415  12.680  1.00 46.33           C  
-ATOM    794  CG  HIS B 170     -46.359  61.267  11.721  1.00 44.73           C  
-ATOM    795  ND1 HIS B 170     -47.136  61.249  10.582  1.00 44.00           N  
-ATOM    796  CD2 HIS B 170     -45.672  60.101  11.724  1.00 46.97           C  
-ATOM    797  CE1 HIS B 170     -46.937  60.117   9.932  1.00 46.50           C  
-ATOM    798  NE2 HIS B 170     -46.053  59.401  10.603  1.00 48.05           N  
-ATOM    799  N   SER B 171     -48.646  63.897  15.235  1.00 64.12           N  
-ATOM    800  CA  SER B 171     -48.756  64.828  16.368  1.00 70.58           C  
-ATOM    801  C   SER B 171     -49.979  65.736  16.221  1.00 74.17           C  
-ATOM    802  O   SER B 171     -50.062  66.805  16.828  1.00 76.90           O  
-ATOM    803  CB  SER B 171     -47.486  65.666  16.565  1.00 71.93           C  
-ATOM    804  OG  SER B 171     -46.515  64.959  17.322  1.00 71.76           O  

Deleted: SwiftApps/modFTDock/input/1oxn-3.pdb
===================================================================
--- SwiftApps/modFTDock/input/1oxn-3.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/1oxn-3.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,804 +0,0 @@
-ATOM      1  N   ALA C  71     -41.578  56.818  18.630  1.00 76.22           N  
-ATOM      2  CA  ALA C  71     -42.004  55.863  17.567  1.00 74.82           C  
-ATOM      3  C   ALA C  71     -40.839  55.545  16.629  1.00 71.76           C  
-ATOM      4  O   ALA C  71     -40.371  54.402  16.569  1.00 74.24           O  
-ATOM      5  CB  ALA C  71     -43.198  56.426  16.786  1.00 76.07           C  
-ATOM      6  N   GLY C  72     -40.373  56.564  15.910  1.00 64.01           N  
-ATOM      7  CA  GLY C  72     -39.271  56.414  14.980  1.00 54.12           C  
-ATOM      8  C   GLY C  72     -37.969  57.013  15.479  1.00 46.00           C  
-ATOM      9  O   GLY C  72     -37.563  56.805  16.621  1.00 47.07           O  
-ATOM     10  N   ALA C  73     -37.303  57.752  14.602  1.00 40.57           N  
-ATOM     11  CA  ALA C  73     -36.050  58.410  14.934  1.00 29.81           C  
-ATOM     12  C   ALA C  73     -36.297  59.423  16.036  1.00 29.28           C  
-ATOM     13  O   ALA C  73     -37.437  59.868  16.245  1.00 26.85           O  
-ATOM     14  CB  ALA C  73     -35.491  59.096  13.701  1.00 28.37           C  
-ATOM     15  N   THR C  74     -35.242  59.796  16.751  1.00 27.24           N  
-ATOM     16  CA  THR C  74     -35.394  60.797  17.804  1.00 27.88           C  
-ATOM     17  C   THR C  74     -34.487  61.992  17.535  1.00 26.37           C  
-ATOM     18  O   THR C  74     -33.453  61.861  16.875  1.00 27.08           O  
-ATOM     19  CB  THR C  74     -35.067  60.186  19.183  1.00 31.19           C  
-ATOM     20  OG1 THR C  74     -33.765  59.597  19.132  1.00 37.42           O  
-ATOM     21  CG2 THR C  74     -35.962  58.980  19.490  1.00 33.50           C  
-ATOM     22  N   LEU C  75     -34.889  63.150  18.051  1.00 22.63           N  
-ATOM     23  CA  LEU C  75     -34.088  64.356  18.013  1.00 26.14           C  
-ATOM     24  C   LEU C  75     -32.763  64.161  18.729  1.00 28.31           C  
-ATOM     25  O   LEU C  75     -32.722  63.693  19.874  1.00 31.89           O  
-ATOM     26  CB  LEU C  75     -34.832  65.479  18.722  1.00 29.19           C  
-ATOM     27  CG  LEU C  75     -35.394  66.684  17.988  1.00 34.53           C  
-ATOM     28  CD1 LEU C  75     -35.678  66.429  16.519  1.00 32.72           C  
-ATOM     29  CD2 LEU C  75     -36.653  67.097  18.727  1.00 35.67           C  
-ATOM     30  N   SER C  76     -31.681  64.546  18.067  1.00 26.78           N  
-ATOM     31  CA  SER C  76     -30.377  64.571  18.712  1.00 27.33           C  
-ATOM     32  C   SER C  76     -30.364  65.648  19.770  1.00 25.32           C  
-ATOM     33  O   SER C  76     -31.091  66.634  19.668  1.00 26.88           O  
-ATOM     34  CB  SER C  76     -29.286  64.801  17.676  1.00 29.31           C  
-ATOM     35  OG  SER C  76     -29.164  63.639  16.879  1.00 33.27           O  
-ATOM     36  N   ARG C  77     -29.545  65.447  20.789  1.00 25.71           N  
-ATOM     37  CA  ARG C  77     -29.533  66.296  21.978  1.00 28.89           C  
-ATOM     38  C   ARG C  77     -28.511  67.420  21.897  1.00 29.73           C  
-ATOM     39  O   ARG C  77     -28.604  68.405  22.617  1.00 33.60           O  
-ATOM     40  CB  ARG C  77     -29.254  65.451  23.222  1.00 34.37           C  
-ATOM     41  CG  ARG C  77     -30.440  64.640  23.712  1.00 46.80           C  
-ATOM     42  CD  ARG C  77     -30.215  63.984  25.080  1.00 59.47           C  
-ATOM     43  NE  ARG C  77     -31.163  64.470  26.089  1.00 69.68           N  
-ATOM     44  CZ  ARG C  77     -30.991  65.559  26.843  1.00 73.79           C  
-ATOM     45  NH1 ARG C  77     -29.897  66.308  26.728  1.00 73.82           N  
-ATOM     46  NH2 ARG C  77     -31.926  65.902  27.721  1.00 75.27           N  
-ATOM     47  N   GLY C  78     -27.528  67.279  21.024  1.00 27.68           N  
-ATOM     48  CA  GLY C  78     -26.507  68.300  20.915  1.00 32.55           C  
-ATOM     49  C   GLY C  78     -27.012  69.605  20.319  1.00 28.83           C  
-ATOM     50  O   GLY C  78     -27.696  69.589  19.302  1.00 31.76           O  
-ATOM     51  N   PRO C  79     -26.664  70.732  20.937  1.00 28.50           N  
-ATOM     52  CA  PRO C  79     -26.899  72.043  20.321  1.00 27.11           C  
-ATOM     53  C   PRO C  79     -26.089  72.159  19.042  1.00 24.69           C  
-ATOM     54  O   PRO C  79     -24.986  71.622  18.976  1.00 28.65           O  
-ATOM     55  CB  PRO C  79     -26.350  73.025  21.357  1.00 26.13           C  
-ATOM     56  CG  PRO C  79     -26.323  72.242  22.645  1.00 30.03           C  
-ATOM     57  CD  PRO C  79     -26.011  70.844  22.257  1.00 29.32           C  
-ATOM     58  N   ALA C  80     -26.627  72.847  18.043  1.00 20.72           N  
-ATOM     59  CA  ALA C  80     -25.889  73.090  16.819  1.00 22.54           C  
-ATOM     60  C   ALA C  80     -24.605  73.850  17.133  1.00 26.48           C  
-ATOM     61  O   ALA C  80     -23.541  73.519  16.597  1.00 25.92           O  
-ATOM     62  CB  ALA C  80     -26.723  73.875  15.846  1.00 20.98           C  
-ATOM     63  N   PHE C  81     -24.721  74.868  17.994  1.00 22.39           N  
-ATOM     64  CA  PHE C  81     -23.613  75.771  18.304  1.00 22.03           C  
-ATOM     65  C   PHE C  81     -23.480  75.871  19.822  1.00 23.22           C  
-ATOM     66  O   PHE C  81     -23.938  76.829  20.429  1.00 26.75           O  
-ATOM     67  CB  PHE C  81     -23.830  77.143  17.643  1.00 22.35           C  
-ATOM     68  CG  PHE C  81     -22.592  78.030  17.608  1.00 23.46           C  
-ATOM     69  CD1 PHE C  81     -21.448  77.720  18.348  1.00 25.24           C  
-ATOM     70  CD2 PHE C  81     -22.593  79.199  16.846  1.00 27.27           C  
-ATOM     71  CE1 PHE C  81     -20.312  78.553  18.319  1.00 28.46           C  
-ATOM     72  CE2 PHE C  81     -21.464  80.047  16.808  1.00 23.79           C  
-ATOM     73  CZ  PHE C  81     -20.329  79.723  17.549  1.00 24.45           C  
-ATOM     74  N   PRO C  82     -22.839  74.870  20.423  1.00 24.21           N  
-ATOM     75  CA  PRO C  82     -22.766  74.744  21.882  1.00 27.94           C  
-ATOM     76  C   PRO C  82     -22.158  75.994  22.523  1.00 30.17           C  
-ATOM     77  O   PRO C  82     -22.645  76.455  23.553  1.00 31.49           O  
-ATOM     78  CB  PRO C  82     -21.838  73.534  22.096  1.00 28.22           C  
-ATOM     79  CG  PRO C  82     -21.867  72.779  20.795  1.00 29.82           C  
-ATOM     80  CD  PRO C  82     -22.089  73.805  19.724  1.00 24.46           C  
-ATOM     81  N   GLY C  83     -21.121  76.544  21.905  1.00 31.38           N  
-ATOM     82  CA  GLY C  83     -20.518  77.771  22.388  1.00 33.35           C  
-ATOM     83  C   GLY C  83     -21.545  78.857  22.646  1.00 36.61           C  
-ATOM     84  O   GLY C  83     -21.406  79.637  23.591  1.00 39.43           O  
-ATOM     85  N   MET C  84     -22.589  78.895  21.822  1.00 32.10           N  
-ATOM     86  CA  MET C  84     -23.599  79.937  21.939  1.00 29.67           C  
-ATOM     87  C   MET C  84     -24.742  79.561  22.898  1.00 29.45           C  
-ATOM     88  O   MET C  84     -25.789  80.202  22.913  1.00 29.76           O  
-ATOM     89  CB  MET C  84     -24.114  80.330  20.558  1.00 27.99           C  
-ATOM     90  CG  MET C  84     -23.242  81.345  19.834  1.00 30.84           C  
-ATOM     91  SD  MET C  84     -23.064  82.883  20.771  1.00 35.56           S  
-ATOM     92  CE  MET C  84     -22.211  83.844  19.616  1.00 32.04           C  
-ATOM     93  N   GLY C  85     -24.526  78.517  23.692  1.00 31.21           N  
-ATOM     94  CA  GLY C  85     -25.445  78.136  24.753  1.00 35.16           C  
-ATOM     95  C   GLY C  85     -25.559  79.208  25.824  1.00 37.43           C  
-ATOM     96  O   GLY C  85     -26.605  79.363  26.461  1.00 38.25           O  
-ATOM     97  N   SER C  86     -24.480  79.959  26.014  1.00 37.58           N  
-ATOM     98  CA  SER C  86     -24.487  81.090  26.937  1.00 37.44           C  
-ATOM     99  C   SER C  86     -25.239  82.269  26.339  1.00 31.35           C  
-ATOM    100  O   SER C  86     -24.866  82.789  25.285  1.00 32.04           O  
-ATOM    101  CB  SER C  86     -23.050  81.492  27.316  1.00 38.79           C  
-ATOM    102  OG  SER C  86     -22.903  82.899  27.388  1.00 41.43           O  
-ATOM    103  N   GLU C  87     -26.286  82.700  27.034  1.00 32.58           N  
-ATOM    104  CA  GLU C  87     -27.066  83.868  26.641  1.00 37.11           C  
-ATOM    105  C   GLU C  87     -26.189  85.113  26.547  1.00 38.14           C  
-ATOM    106  O   GLU C  87     -26.378  85.958  25.663  1.00 36.12           O  
-ATOM    107  CB  GLU C  87     -28.209  84.118  27.628  1.00 35.24           C  
-ATOM    108  CG  GLU C  87     -29.100  85.278  27.226  1.00 39.50           C  
-ATOM    109  CD  GLU C  87     -30.321  85.453  28.109  1.00 44.57           C  
-ATOM    110  OE1 GLU C  87     -30.611  84.586  28.964  1.00 46.47           O  
-ATOM    111  OE2 GLU C  87     -31.007  86.479  27.935  1.00 48.00           O  
-ATOM    112  N   GLU C  88     -25.245  85.205  27.479  1.00 40.34           N  
-ATOM    113  CA  GLU C  88     -24.272  86.282  27.531  1.00 44.55           C  
-ATOM    114  C   GLU C  88     -23.505  86.367  26.216  1.00 38.47           C  
-ATOM    115  O   GLU C  88     -23.413  87.443  25.619  1.00 35.30           O  
-ATOM    116  CB  GLU C  88     -23.309  86.045  28.699  1.00 54.20           C  
-ATOM    117  CG  GLU C  88     -22.753  87.307  29.335  1.00 64.94           C  
-ATOM    118  CD  GLU C  88     -21.901  87.002  30.555  1.00 72.13           C  
-ATOM    119  OE1 GLU C  88     -22.479  86.687  31.619  1.00 76.01           O  
-ATOM    120  OE2 GLU C  88     -20.656  87.066  30.446  1.00 73.58           O  
-ATOM    121  N   LEU C  89     -22.974  85.229  25.762  1.00 34.84           N  
-ATOM    122  CA  LEU C  89     -22.272  85.178  24.470  1.00 36.07           C  
-ATOM    123  C   LEU C  89     -23.190  85.503  23.291  1.00 36.48           C  
-ATOM    124  O   LEU C  89     -22.773  86.172  22.345  1.00 40.96           O  
-ATOM    125  CB  LEU C  89     -21.551  83.841  24.268  1.00 38.15           C  
-ATOM    126  CG  LEU C  89     -20.363  83.514  25.186  1.00 41.98           C  
-ATOM    127  CD1 LEU C  89     -19.500  82.397  24.589  1.00 42.77           C  
-ATOM    128  CD2 LEU C  89     -19.505  84.749  25.490  1.00 43.19           C  
-ATOM    129  N   ARG C  90     -24.448  85.065  23.363  1.00 34.74           N  
-ATOM    130  CA  ARG C  90     -25.414  85.374  22.301  1.00 34.32           C  
-ATOM    131  C   ARG C  90     -25.709  86.865  22.245  1.00 35.32           C  
-ATOM    132  O   ARG C  90     -25.797  87.441  21.158  1.00 34.38           O  
-ATOM    133  CB  ARG C  90     -26.721  84.609  22.490  1.00 27.03           C  
-ATOM    134  CG  ARG C  90     -26.595  83.105  22.357  1.00 25.62           C  
-ATOM    135  CD  ARG C  90     -27.934  82.409  22.106  1.00 25.80           C  
-ATOM    136  NE  ARG C  90     -28.906  82.613  23.186  1.00 22.21           N  
-ATOM    137  CZ  ARG C  90     -28.940  81.917  24.325  1.00 23.59           C  
-ATOM    138  NH1 ARG C  90     -28.043  80.959  24.558  1.00 18.00           N  
-ATOM    139  NH2 ARG C  90     -29.884  82.172  25.231  1.00 21.47           N  
-ATOM    140  N   LEU C  91     -25.886  87.469  23.421  1.00 37.25           N  
-ATOM    141  CA  LEU C  91     -26.121  88.906  23.531  1.00 37.76           C  
-ATOM    142  C   LEU C  91     -24.940  89.685  22.957  1.00 33.15           C  
-ATOM    143  O   LEU C  91     -25.131  90.581  22.140  1.00 34.55           O  
-ATOM    144  CB  LEU C  91     -26.375  89.326  24.989  1.00 38.89           C  
-ATOM    145  CG  LEU C  91     -27.485  90.354  25.267  1.00 42.42           C  
-ATOM    146  CD1 LEU C  91     -27.127  91.287  26.434  1.00 42.60           C  
-ATOM    147  CD2 LEU C  91     -27.883  91.177  24.040  1.00 40.63           C  
-ATOM    148  N   ALA C  92     -23.729  89.325  23.376  1.00 30.99           N  
-ATOM    149  CA  ALA C  92     -22.510  89.955  22.850  1.00 35.90           C  
-ATOM    150  C   ALA C  92     -22.445  89.905  21.318  1.00 39.24           C  
-ATOM    151  O   ALA C  92     -21.917  90.831  20.688  1.00 40.19           O  
-ATOM    152  CB  ALA C  92     -21.272  89.318  23.457  1.00 35.33           C  
-ATOM    153  N   SER C  93     -23.007  88.847  20.722  1.00 33.60           N  
-ATOM    154  CA  SER C  93     -22.967  88.676  19.265  1.00 28.61           C  
-ATOM    155  C   SER C  93     -23.721  89.775  18.561  1.00 28.30           C  
-ATOM    156  O   SER C  93     -23.536  89.977  17.370  1.00 31.31           O  
-ATOM    157  CB  SER C  93     -23.482  87.294  18.826  1.00 30.42           C  
-ATOM    158  OG  SER C  93     -24.904  87.217  18.824  1.00 31.96           O  
-ATOM    159  N   PHE C  94     -24.550  90.505  19.307  1.00 32.35           N  
-ATOM    160  CA  PHE C  94     -25.343  91.591  18.734  1.00 35.36           C  
-ATOM    161  C   PHE C  94     -24.672  92.977  18.817  1.00 42.43           C  
-ATOM    162  O   PHE C  94     -25.324  94.000  18.587  1.00 40.77           O  
-ATOM    163  CB  PHE C  94     -26.729  91.629  19.381  1.00 35.13           C  
-ATOM    164  CG  PHE C  94     -27.607  90.460  19.006  1.00 33.23           C  
-ATOM    165  CD1 PHE C  94     -28.406  90.511  17.875  1.00 33.76           C  
-ATOM    166  CD2 PHE C  94     -27.624  89.310  19.784  1.00 30.84           C  
-ATOM    167  CE1 PHE C  94     -29.212  89.428  17.522  1.00 34.04           C  
-ATOM    168  CE2 PHE C  94     -28.430  88.231  19.444  1.00 31.92           C  
-ATOM    169  CZ  PHE C  94     -29.219  88.290  18.307  1.00 30.44           C  
-ATOM    170  N   TYR C  95     -23.378  93.008  19.127  1.00 48.51           N  
-ATOM    171  CA  TYR C  95     -22.614  94.265  19.161  1.00 54.64           C  
-ATOM    172  C   TYR C  95     -22.815  95.135  17.908  1.00 55.75           C  
-ATOM    173  O   TYR C  95     -22.958  96.359  18.012  1.00 54.91           O  
-ATOM    174  CB  TYR C  95     -21.124  93.991  19.402  1.00 58.48           C  
-ATOM    175  CG  TYR C  95     -20.395  93.384  18.220  1.00 64.09           C  
-ATOM    176  CD1 TYR C  95     -20.405  92.007  18.004  1.00 66.07           C  
-ATOM    177  CD2 TYR C  95     -19.688  94.187  17.322  1.00 66.41           C  
-ATOM    178  CE1 TYR C  95     -19.741  91.444  16.924  1.00 68.38           C  
-ATOM    179  CE2 TYR C  95     -19.021  93.634  16.235  1.00 68.43           C  
-ATOM    180  CZ  TYR C  95     -19.051  92.262  16.045  1.00 70.81           C  
-ATOM    181  OH  TYR C  95     -18.393  91.702  14.976  1.00 73.26           O  
-ATOM    182  N   ASP C  96     -22.853  94.489  16.742  1.00 57.80           N  
-ATOM    183  CA  ASP C  96     -23.004  95.163  15.454  1.00 60.42           C  
-ATOM    184  C   ASP C  96     -24.412  94.976  14.871  1.00 57.76           C  
-ATOM    185  O   ASP C  96     -24.617  95.104  13.657  1.00 56.41           O  
-ATOM    186  CB  ASP C  96     -21.936  94.645  14.475  1.00 68.47           C  
-ATOM    187  CG  ASP C  96     -21.720  95.563  13.271  1.00 75.57           C  
-ATOM    188  OD1 ASP C  96     -22.173  96.733  13.289  1.00 77.22           O  
-ATOM    189  OD2 ASP C  96     -21.097  95.185  12.252  1.00 78.86           O  
-ATOM    190  N   TRP C  97     -25.379  94.681  15.740  1.00 56.11           N  
-ATOM    191  CA  TRP C  97     -26.777  94.515  15.332  1.00 56.69           C  
-ATOM    192  C   TRP C  97     -27.272  95.796  14.666  1.00 61.77           C  
-ATOM    193  O   TRP C  97     -27.134  96.878  15.241  1.00 64.10           O  
-ATOM    194  CB  TRP C  97     -27.638  94.173  16.551  1.00 52.21           C  
-ATOM    195  CG  TRP C  97     -29.090  93.825  16.288  1.00 48.17           C  
-ATOM    196  CD1 TRP C  97     -30.182  94.462  16.802  1.00 47.50           C  
-ATOM    197  CD2 TRP C  97     -29.602  92.735  15.502  1.00 48.44           C  
-ATOM    198  NE1 TRP C  97     -31.338  93.854  16.374  1.00 46.56           N  
-ATOM    199  CE2 TRP C  97     -31.013  92.789  15.576  1.00 45.71           C  
-ATOM    200  CE3 TRP C  97     -29.014  91.717  14.734  1.00 46.24           C  
-ATOM    201  CZ2 TRP C  97     -31.840  91.879  14.908  1.00 43.77           C  
-ATOM    202  CZ3 TRP C  97     -29.840  90.809  14.078  1.00 45.37           C  
-ATOM    203  CH2 TRP C  97     -31.237  90.898  14.172  1.00 43.40           C  
-ATOM    204  N   PRO C  98     -27.830  95.680  13.459  1.00 66.09           N  
-ATOM    205  CA  PRO C  98     -28.266  96.848  12.689  1.00 70.61           C  
-ATOM    206  C   PRO C  98     -29.212  97.745  13.470  1.00 77.66           C  
-ATOM    207  O   PRO C  98     -30.023  97.258  14.265  1.00 77.81           O  
-ATOM    208  CB  PRO C  98     -29.002  96.226  11.503  1.00 68.91           C  
-ATOM    209  CG  PRO C  98     -28.369  94.925  11.335  1.00 66.66           C  
-ATOM    210  CD  PRO C  98     -28.090  94.430  12.725  1.00 65.68           C  
-ATOM    211  N   LEU C  99     -29.083  99.050  13.243  1.00 84.76           N  
-ATOM    212  CA  LEU C  99     -29.961 100.044  13.854  1.00 88.47           C  
-ATOM    213  C   LEU C  99     -31.176 100.306  12.954  1.00 88.63           C  
-ATOM    214  O   LEU C  99     -32.020 101.152  13.258  1.00 89.05           O  
-ATOM    215  CB  LEU C  99     -29.182 101.327  14.186  1.00 90.95           C  
-ATOM    216  CG  LEU C  99     -27.943 101.098  15.070  1.00 92.70           C  
-ATOM    217  CD1 LEU C  99     -26.773 101.998  14.663  1.00 93.00           C  
-ATOM    218  CD2 LEU C  99     -28.271 101.244  16.560  1.00 93.00           C  
-ATOM    219  N   THR C 100     -31.241  99.561  11.847  1.00 88.51           N  
-ATOM    220  CA  THR C 100     -32.450  99.430  11.031  1.00 88.45           C  
-ATOM    221  C   THR C 100     -33.271  98.209  11.478  1.00 87.90           C  
-ATOM    222  O   THR C 100     -34.350  97.946  10.938  1.00 88.16           O  
-ATOM    223  CB  THR C 100     -32.108  99.318   9.514  1.00 89.34           C  
-ATOM    224  OG1 THR C 100     -31.026  98.398   9.318  1.00 88.41           O  
-ATOM    225  CG2 THR C 100     -31.569 100.644   8.965  1.00 90.39           C  
-ATOM    226  N   ALA C 101     -32.751  97.471  12.462  1.00 86.41           N  
-ATOM    227  CA  ALA C 101     -33.429  96.299  13.020  1.00 84.41           C  
-ATOM    228  C   ALA C 101     -34.260  96.674  14.248  1.00 83.21           C  
-ATOM    229  O   ALA C 101     -33.728  97.176  15.246  1.00 83.27           O  
-ATOM    230  CB  ALA C 101     -32.422  95.218  13.360  1.00 83.92           C  
-ATOM    231  N   GLU C 102     -35.563  96.406  14.168  1.00 80.26           N  
-ATOM    232  CA  GLU C 102     -36.535  96.914  15.140  1.00 77.10           C  
-ATOM    233  C   GLU C 102     -36.828  95.977  16.325  1.00 70.65           C  
-ATOM    234  O   GLU C 102     -37.719  96.249  17.138  1.00 70.46           O  
-ATOM    235  CB  GLU C 102     -37.837  97.293  14.422  1.00 81.16           C  
-ATOM    236  CG  GLU C 102     -37.691  98.372  13.354  1.00 84.14           C  
-ATOM    237  CD  GLU C 102     -37.696  97.825  11.930  1.00 85.62           C  
-ATOM    238  OE1 GLU C 102     -38.154  96.682  11.706  1.00 83.90           O  
-ATOM    239  OE2 GLU C 102     -37.243  98.553  11.019  1.00 88.26           O  
-ATOM    240  N   VAL C 103     -36.078  94.882  16.421  1.00 60.61           N  
-ATOM    241  CA  VAL C 103     -36.210  93.949  17.538  1.00 49.38           C  
-ATOM    242  C   VAL C 103     -34.948  93.984  18.390  1.00 47.41           C  
-ATOM    243  O   VAL C 103     -33.845  93.792  17.877  1.00 47.75           O  
-ATOM    244  CB  VAL C 103     -36.492  92.513  17.051  1.00 44.33           C  
-ATOM    245  CG1 VAL C 103     -36.446  91.528  18.208  1.00 38.18           C  
-ATOM    246  CG2 VAL C 103     -37.833  92.454  16.349  1.00 42.98           C  
-ATOM    247  N   PRO C 104     -35.108  94.237  19.687  1.00 48.13           N  
-ATOM    248  CA  PRO C 104     -33.965  94.378  20.597  1.00 47.53           C  
-ATOM    249  C   PRO C 104     -33.147  93.095  20.751  1.00 45.23           C  
-ATOM    250  O   PRO C 104     -33.728  92.020  20.899  1.00 44.61           O  
-ATOM    251  CB  PRO C 104     -34.623  94.749  21.932  1.00 49.17           C  
-ATOM    252  CG  PRO C 104     -35.975  95.240  21.571  1.00 49.22           C  
-ATOM    253  CD  PRO C 104     -36.394  94.425  20.384  1.00 48.15           C  
-ATOM    254  N   PRO C 105     -31.818  93.217  20.729  1.00 44.58           N  
-ATOM    255  CA  PRO C 105     -30.918  92.066  20.869  1.00 42.34           C  
-ATOM    256  C   PRO C 105     -31.240  91.177  22.068  1.00 39.68           C  
-ATOM    257  O   PRO C 105     -31.204  89.952  21.928  1.00 40.74           O  
-ATOM    258  CB  PRO C 105     -29.554  92.725  21.073  1.00 42.37           C  
-ATOM    259  CG  PRO C 105     -29.663  94.018  20.371  1.00 43.83           C  
-ATOM    260  CD  PRO C 105     -31.072  94.477  20.561  1.00 43.68           C  
-ATOM    261  N   GLU C 106     -31.543  91.785  23.215  1.00 35.13           N  
-ATOM    262  CA  GLU C 106     -31.815  91.046  24.459  1.00 37.22           C  
-ATOM    263  C   GLU C 106     -32.970  90.049  24.296  1.00 28.75           C  
-ATOM    264  O   GLU C 106     -32.943  88.968  24.864  1.00 30.26           O  
-ATOM    265  CB  GLU C 106     -32.102  91.994  25.642  1.00 41.78           C  
-ATOM    266  CG  GLU C 106     -31.350  93.320  25.621  1.00 51.16           C  
-ATOM    267  CD  GLU C 106     -32.008  94.359  24.724  1.00 57.85           C  
-ATOM    268  OE1 GLU C 106     -33.208  94.670  24.923  1.00 62.58           O  
-ATOM    269  OE2 GLU C 106     -31.322  94.867  23.811  1.00 60.36           O  
-ATOM    270  N   LEU C 107     -33.976  90.440  23.524  1.00 24.94           N  
-ATOM    271  CA  LEU C 107     -35.114  89.589  23.207  1.00 26.91           C  
-ATOM    272  C   LEU C 107     -34.664  88.417  22.356  1.00 26.94           C  
-ATOM    273  O   LEU C 107     -35.076  87.270  22.561  1.00 23.17           O  
-ATOM    274  CB  LEU C 107     -36.137  90.394  22.422  1.00 25.05           C  
-ATOM    275  CG  LEU C 107     -37.576  90.532  22.917  1.00 32.13           C  
-ATOM    276  CD1 LEU C 107     -37.637  90.886  24.387  1.00 30.20           C  
-ATOM    277  CD2 LEU C 107     -38.308  91.576  22.079  1.00 28.98           C  
-ATOM    278  N   LEU C 108     -33.815  88.716  21.388  1.00 26.90           N  
-ATOM    279  CA  LEU C 108     -33.366  87.699  20.459  1.00 25.57           C  
-ATOM    280  C   LEU C 108     -32.490  86.693  21.165  1.00 24.94           C  
-ATOM    281  O   LEU C 108     -32.696  85.499  21.020  1.00 24.13           O  
-ATOM    282  CB  LEU C 108     -32.641  88.342  19.287  1.00 26.12           C  
-ATOM    283  CG  LEU C 108     -33.643  88.990  18.347  1.00 26.11           C  
-ATOM    284  CD1 LEU C 108     -32.976  90.115  17.565  1.00 28.82           C  
-ATOM    285  CD2 LEU C 108     -34.225  87.958  17.426  1.00 23.52           C  
-ATOM    286  N   ALA C 109     -31.533  87.183  21.949  1.00 25.58           N  
-ATOM    287  CA  ALA C 109     -30.607  86.311  22.666  1.00 25.30           C  
-ATOM    288  C   ALA C 109     -31.291  85.484  23.740  1.00 24.82           C  
-ATOM    289  O   ALA C 109     -30.880  84.351  23.997  1.00 29.30           O  
-ATOM    290  CB  ALA C 109     -29.441  87.115  23.276  1.00 27.81           C  
-ATOM    291  N   ALA C 110     -32.307  86.046  24.392  1.00 26.31           N  
-ATOM    292  CA  ALA C 110     -33.052  85.281  25.401  1.00 27.80           C  
-ATOM    293  C   ALA C 110     -33.742  84.099  24.710  1.00 24.36           C  
-ATOM    294  O   ALA C 110     -33.800  82.997  25.241  1.00 27.14           O  
-ATOM    295  CB  ALA C 110     -34.076  86.170  26.137  1.00 23.62           C  
-ATOM    296  N   ALA C 111     -34.220  84.345  23.498  1.00 24.22           N  
-ATOM    297  CA  ALA C 111     -34.964  83.354  22.749  1.00 24.96           C  
-ATOM    298  C   ALA C 111     -34.038  82.381  22.025  1.00 23.68           C  
-ATOM    299  O   ALA C 111     -34.505  81.562  21.243  1.00 22.24           O  
-ATOM    300  CB  ALA C 111     -35.922  84.028  21.780  1.00 21.89           C  
-ATOM    301  N   GLY C 112     -32.737  82.469  22.306  1.00 21.98           N  
-ATOM    302  CA  GLY C 112     -31.773  81.500  21.816  1.00 21.55           C  
-ATOM    303  C   GLY C 112     -31.001  81.921  20.582  1.00 24.42           C  
-ATOM    304  O   GLY C 112     -30.141  81.184  20.094  1.00 25.68           O  
-ATOM    305  N   PHE C 113     -31.296  83.109  20.076  1.00 23.42           N  
-ATOM    306  CA  PHE C 113     -30.710  83.529  18.823  1.00 23.67           C  
-ATOM    307  C   PHE C 113     -29.405  84.280  19.041  1.00 25.44           C  
-ATOM    308  O   PHE C 113     -29.239  85.008  20.023  1.00 23.97           O  
-ATOM    309  CB  PHE C 113     -31.705  84.370  18.025  1.00 21.94           C  
-ATOM    310  CG  PHE C 113     -32.969  83.634  17.670  1.00 21.26           C  
-ATOM    311  CD1 PHE C 113     -32.982  82.696  16.640  1.00 17.25           C  
-ATOM    312  CD2 PHE C 113     -34.142  83.873  18.372  1.00 20.13           C  
-ATOM    313  CE1 PHE C 113     -34.148  82.020  16.312  1.00 20.82           C  
-ATOM    314  CE2 PHE C 113     -35.311  83.200  18.047  1.00 21.24           C  
-ATOM    315  CZ  PHE C 113     -35.310  82.269  17.016  1.00 19.44           C  
-ATOM    316  N   PHE C 114     -28.470  84.061  18.129  1.00 25.62           N  
-ATOM    317  CA  PHE C 114     -27.256  84.853  18.052  1.00 28.14           C  
-ATOM    318  C   PHE C 114     -27.205  85.495  16.665  1.00 28.82           C  
-ATOM    319  O   PHE C 114     -27.804  84.992  15.712  1.00 27.41           O  
-ATOM    320  CB  PHE C 114     -26.019  83.993  18.340  1.00 25.51           C  
-ATOM    321  CG  PHE C 114     -25.750  82.940  17.303  1.00 29.29           C  
-ATOM    322  CD1 PHE C 114     -25.052  83.255  16.134  1.00 27.14           C  
-ATOM    323  CD2 PHE C 114     -26.186  81.633  17.492  1.00 25.84           C  
-ATOM    324  CE1 PHE C 114     -24.804  82.289  15.177  1.00 25.03           C  
-ATOM    325  CE2 PHE C 114     -25.939  80.662  16.543  1.00 22.80           C  
-ATOM    326  CZ  PHE C 114     -25.257  80.993  15.375  1.00 24.63           C  
-ATOM    327  N   HIS C 115     -26.523  86.625  16.567  1.00 29.79           N  
-ATOM    328  CA  HIS C 115     -26.359  87.327  15.297  1.00 31.07           C  
-ATOM    329  C   HIS C 115     -25.307  86.612  14.469  1.00 28.87           C  
-ATOM    330  O   HIS C 115     -24.255  86.242  14.997  1.00 26.79           O  
-ATOM    331  CB  HIS C 115     -25.891  88.754  15.577  1.00 33.76           C  
-ATOM    332  CG  HIS C 115     -26.016  89.677  14.409  1.00 35.82           C  
-ATOM    333  ND1 HIS C 115     -25.362  90.890  14.349  1.00 36.84           N  
-ATOM    334  CD2 HIS C 115     -26.712  89.565  13.254  1.00 32.22           C  
-ATOM    335  CE1 HIS C 115     -25.656  91.487  13.209  1.00 33.60           C  
-ATOM    336  NE2 HIS C 115     -26.472  90.704  12.526  1.00 33.13           N  
-ATOM    337  N   THR C 116     -25.572  86.402  13.183  1.00 33.64           N  
-ATOM    338  CA  THR C 116     -24.568  85.744  12.329  1.00 41.13           C  
-ATOM    339  C   THR C 116     -23.472  86.722  11.916  1.00 46.64           C  
-ATOM    340  O   THR C 116     -22.342  86.315  11.634  1.00 48.66           O  
-ATOM    341  CB  THR C 116     -25.188  85.130  11.075  1.00 35.78           C  
-ATOM    342  OG1 THR C 116     -25.751  86.180  10.274  1.00 40.10           O  
-ATOM    343  CG2 THR C 116     -26.374  84.233  11.419  1.00 31.27           C  
-ATOM    344  N   GLY C 117     -23.824  88.007  11.886  1.00 51.35           N  
-ATOM    345  CA  GLY C 117     -22.913  89.070  11.495  1.00 53.56           C  
-ATOM    346  C   GLY C 117     -23.440  89.825  10.289  1.00 55.45           C  
-ATOM    347  O   GLY C 117     -23.158  91.010  10.111  1.00 56.48           O  
-ATOM    348  N   HIS C 118     -24.229  89.132   9.472  1.00 58.48           N  
-ATOM    349  CA  HIS C 118     -24.753  89.687   8.225  1.00 59.48           C  
-ATOM    350  C   HIS C 118     -26.173  90.214   8.397  1.00 57.76           C  
-ATOM    351  O   HIS C 118     -27.097  89.450   8.713  1.00 54.24           O  
-ATOM    352  CB  HIS C 118     -24.701  88.636   7.110  1.00 61.80           C  
-ATOM    353  CG  HIS C 118     -23.386  87.924   7.013  1.00 65.06           C  
-ATOM    354  ND1 HIS C 118     -22.510  88.119   5.967  1.00 66.78           N  
-ATOM    355  CD2 HIS C 118     -22.797  87.023   7.835  1.00 65.04           C  
-ATOM    356  CE1 HIS C 118     -21.438  87.367   6.148  1.00 66.72           C  
-ATOM    357  NE2 HIS C 118     -21.586  86.694   7.275  1.00 65.83           N  
-ATOM    358  N   GLN C 119     -26.332  91.526   8.196  1.00 54.82           N  
-ATOM    359  CA  GLN C 119     -27.629  92.196   8.286  1.00 49.09           C  
-ATOM    360  C   GLN C 119     -28.303  91.852   9.611  1.00 43.40           C  
-ATOM    361  O   GLN C 119     -27.674  91.917  10.662  1.00 37.48           O  
-ATOM    362  CB  GLN C 119     -28.528  91.828   7.094  1.00 52.32           C  
-ATOM    363  CG  GLN C 119     -27.993  92.267   5.737  1.00 58.34           C  
-ATOM    364  CD  GLN C 119     -27.002  91.275   5.134  1.00 61.08           C  
-ATOM    365  OE1 GLN C 119     -27.094  90.067   5.371  1.00 61.39           O  
-ATOM    366  NE2 GLN C 119     -26.053  91.786   4.357  1.00 60.00           N  
-ATOM    367  N   ASP C 120     -29.571  91.464   9.565  1.00 42.69           N  
-ATOM    368  CA  ASP C 120     -30.278  91.099  10.787  1.00 40.93           C  
-ATOM    369  C   ASP C 120     -30.526  89.592  10.901  1.00 40.02           C  
-ATOM    370  O   ASP C 120     -31.519  89.145  11.495  1.00 36.47           O  
-ATOM    371  CB  ASP C 120     -31.574  91.900  10.918  1.00 38.07           C  
-ATOM    372  CG  ASP C 120     -32.590  91.566   9.839  1.00 41.56           C  
-ATOM    373  OD1 ASP C 120     -32.230  90.931   8.815  1.00 40.96           O  
-ATOM    374  OD2 ASP C 120     -33.789  91.912   9.946  1.00 46.57           O  
-ATOM    375  N   LYS C 121     -29.609  88.815  10.334  1.00 34.62           N  
-ATOM    376  CA  LYS C 121     -29.747  87.368  10.321  1.00 32.13           C  
-ATOM    377  C   LYS C 121     -29.355  86.801  11.658  1.00 29.82           C  
-ATOM    378  O   LYS C 121     -28.305  87.142  12.206  1.00 26.51           O  
-ATOM    379  CB  LYS C 121     -28.905  86.741   9.209  1.00 30.11           C  
-ATOM    380  CG  LYS C 121     -29.438  87.029   7.828  1.00 31.64           C  
-ATOM    381  CD  LYS C 121     -28.495  86.525   6.744  1.00 35.98           C  
-ATOM    382  CE  LYS C 121     -28.704  87.330   5.464  1.00 38.63           C  
-ATOM    383  NZ  LYS C 121     -28.922  86.454   4.291  1.00 42.69           N  
-ATOM    384  N   VAL C 122     -30.217  85.949  12.201  1.00 29.14           N  
-ATOM    385  CA  VAL C 122     -29.897  85.258  13.450  1.00 23.41           C  
-ATOM    386  C   VAL C 122     -30.038  83.761  13.258  1.00 24.33           C  
-ATOM    387  O   VAL C 122     -30.743  83.302  12.363  1.00 26.93           O  
-ATOM    388  CB  VAL C 122     -30.804  85.703  14.639  1.00 24.87           C  
-ATOM    389  CG1 VAL C 122     -30.599  87.175  14.977  1.00 25.79           C  
-ATOM    390  CG2 VAL C 122     -32.272  85.407  14.357  1.00 24.62           C  
-ATOM    391  N   ARG C 123     -29.363  83.008  14.111  1.00 22.80           N  
-ATOM    392  CA  ARG C 123     -29.550  81.583  14.178  1.00 21.00           C  
-ATOM    393  C   ARG C 123     -29.700  81.206  15.626  1.00 24.49           C  
-ATOM    394  O   ARG C 123     -29.146  81.860  16.521  1.00 23.12           O  
-ATOM    395  CB  ARG C 123     -28.358  80.860  13.572  1.00 23.90           C  
-ATOM    396  CG  ARG C 123     -28.319  80.956  12.049  1.00 27.09           C  
-ATOM    397  CD  ARG C 123     -27.985  79.665  11.403  1.00 32.35           C  
-ATOM    398  NE  ARG C 123     -27.682  79.793   9.985  1.00 32.72           N  
-ATOM    399  CZ  ARG C 123     -28.412  79.246   9.034  1.00 33.51           C  
-ATOM    400  NH1 ARG C 123     -29.502  78.538   9.353  1.00 29.33           N  
-ATOM    401  NH2 ARG C 123     -28.058  79.405   7.762  1.00 29.53           N  
-ATOM    402  N   CYS C 124     -30.460  80.149  15.857  1.00 20.18           N  
-ATOM    403  CA  CYS C 124     -30.595  79.607  17.186  1.00 18.91           C  
-ATOM    404  C   CYS C 124     -29.369  78.761  17.492  1.00 22.19           C  
-ATOM    405  O   CYS C 124     -28.956  77.953  16.672  1.00 23.05           O  
-ATOM    406  CB  CYS C 124     -31.857  78.762  17.262  1.00 16.79           C  
-ATOM    407  SG  CYS C 124     -32.036  77.930  18.843  1.00 19.29           S  
-ATOM    408  N   PHE C 125     -28.799  78.928  18.682  1.00 20.02           N  
-ATOM    409  CA  PHE C 125     -27.620  78.168  19.050  1.00 20.43           C  
-ATOM    410  C   PHE C 125     -27.939  76.690  19.085  1.00 22.04           C  
-ATOM    411  O   PHE C 125     -27.046  75.852  18.924  1.00 22.99           O  
-ATOM    412  CB  PHE C 125     -27.099  78.607  20.419  1.00 18.87           C  
-ATOM    413  CG  PHE C 125     -27.793  77.935  21.577  1.00 20.24           C  
-ATOM    414  CD1 PHE C 125     -28.966  78.462  22.096  1.00 17.58           C  
-ATOM    415  CD2 PHE C 125     -27.270  76.778  22.141  1.00 19.99           C  
-ATOM    416  CE1 PHE C 125     -29.606  77.858  23.171  1.00 21.11           C  
-ATOM    417  CE2 PHE C 125     -27.902  76.163  23.208  1.00 20.18           C  
-ATOM    418  CZ  PHE C 125     -29.082  76.698  23.724  1.00 20.01           C  
-ATOM    419  N   PHE C 126     -29.202  76.361  19.341  1.00 19.43           N  
-ATOM    420  CA  PHE C 126     -29.546  74.950  19.503  1.00 20.78           C  
-ATOM    421  C   PHE C 126     -29.970  74.244  18.214  1.00 19.55           C  
-ATOM    422  O   PHE C 126     -29.328  73.277  17.799  1.00 21.09           O  
-ATOM    423  CB  PHE C 126     -30.587  74.708  20.600  1.00 19.80           C  
-ATOM    424  CG  PHE C 126     -30.672  73.276  20.987  1.00 22.43           C  
-ATOM    425  CD1 PHE C 126     -31.371  72.372  20.193  1.00 21.05           C  
-ATOM    426  CD2 PHE C 126     -29.964  72.800  22.088  1.00 21.69           C  
-ATOM    427  CE1 PHE C 126     -31.389  71.025  20.515  1.00 22.36           C  
-ATOM    428  CE2 PHE C 126     -29.990  71.460  22.425  1.00 21.26           C  
-ATOM    429  CZ  PHE C 126     -30.703  70.565  21.638  1.00 22.94           C  
-ATOM    430  N   CYS C 127     -31.066  74.708  17.624  1.00 17.73           N  
-ATOM    431  CA  CYS C 127     -31.631  74.092  16.430  1.00 18.87           C  
-ATOM    432  C   CYS C 127     -31.037  74.700  15.164  1.00 20.60           C  
-ATOM    433  O   CYS C 127     -31.256  74.186  14.087  1.00 22.24           O  
-ATOM    434  CB  CYS C 127     -33.149  74.240  16.426  1.00 17.00           C  
-ATOM    435  SG  CYS C 127     -33.716  75.931  16.138  1.00 19.46           S  
-ATOM    436  N   TYR C 128     -30.285  75.796  15.312  1.00 21.07           N  
-ATOM    437  CA  TYR C 128     -29.636  76.471  14.181  1.00 23.26           C  
-ATOM    438  C   TYR C 128     -30.635  77.100  13.212  1.00 25.24           C  
-ATOM    439  O   TYR C 128     -30.273  77.473  12.088  1.00 20.56           O  
-ATOM    440  CB  TYR C 128     -28.662  75.526  13.443  1.00 22.28           C  
-ATOM    441  CG  TYR C 128     -27.477  76.228  12.833  1.00 26.71           C  
-ATOM    442  CD1 TYR C 128     -26.556  76.902  13.630  1.00 26.41           C  
-ATOM    443  CD2 TYR C 128     -27.281  76.234  11.450  1.00 29.30           C  
-ATOM    444  CE1 TYR C 128     -25.479  77.558  13.072  1.00 29.55           C  
-ATOM    445  CE2 TYR C 128     -26.195  76.880  10.881  1.00 26.63           C  
-ATOM    446  CZ  TYR C 128     -25.294  77.538  11.702  1.00 31.59           C  
-ATOM    447  OH  TYR C 128     -24.211  78.190  11.156  1.00 35.57           O  
-ATOM    448  N   GLY C 129     -31.890  77.214  13.655  1.00 20.05           N  
-ATOM    449  CA  GLY C 129     -32.915  77.881  12.879  1.00 17.02           C  
-ATOM    450  C   GLY C 129     -32.514  79.311  12.570  1.00 21.59           C  
-ATOM    451  O   GLY C 129     -32.091  80.037  13.452  1.00 20.01           O  
-ATOM    452  N   GLY C 130     -32.634  79.708  11.308  1.00 23.85           N  
-ATOM    453  CA  GLY C 130     -32.194  81.023  10.889  1.00 20.26           C  
-ATOM    454  C   GLY C 130     -33.346  81.923  10.518  1.00 22.60           C  
-ATOM    455  O   GLY C 130     -34.247  81.538   9.766  1.00 22.97           O  
-ATOM    456  N   LEU C 131     -33.315  83.134  11.055  1.00 20.18           N  
-ATOM    457  CA  LEU C 131     -34.364  84.096  10.790  1.00 21.37           C  
-ATOM    458  C   LEU C 131     -33.767  85.453  10.525  1.00 21.58           C  
-ATOM    459  O   LEU C 131     -32.697  85.796  11.033  1.00 23.34           O  
-ATOM    460  CB  LEU C 131     -35.310  84.184  11.984  1.00 25.28           C  
-ATOM    461  CG  LEU C 131     -36.154  82.935  12.272  1.00 25.94           C  
-ATOM    462  CD1 LEU C 131     -36.847  83.076  13.622  1.00 19.84           C  
-ATOM    463  CD2 LEU C 131     -37.157  82.694  11.133  1.00 26.31           C  
-ATOM    464  N   GLN C 132     -34.474  86.226   9.726  1.00 27.27           N  
-ATOM    465  CA  GLN C 132     -34.049  87.581   9.393  1.00 30.37           C  
-ATOM    466  C   GLN C 132     -35.289  88.389   9.114  1.00 29.78           C  
-ATOM    467  O   GLN C 132     -36.398  87.863   9.231  1.00 29.69           O  
-ATOM    468  CB  GLN C 132     -33.127  87.565   8.164  1.00 26.11           C  
-ATOM    469  CG  GLN C 132     -33.810  87.155   6.892  1.00 27.70           C  
-ATOM    470  CD  GLN C 132     -32.826  86.807   5.794  1.00 34.25           C  
-ATOM    471  OE1 GLN C 132     -32.043  85.856   5.918  1.00 35.76           O  
-ATOM    472  NE2 GLN C 132     -32.859  87.575   4.723  1.00 33.64           N  
-ATOM    473  N   SER C 133     -35.097  89.650   8.713  1.00 34.42           N  
-ATOM    474  CA  SER C 133     -36.189  90.575   8.392  1.00 34.49           C  
-ATOM    475  C   SER C 133     -37.085  90.782   9.598  1.00 34.64           C  
-ATOM    476  O   SER C 133     -38.311  90.767   9.484  1.00 37.65           O  
-ATOM    477  CB  SER C 133     -37.018  90.106   7.188  1.00 34.51           C  
-ATOM    478  OG  SER C 133     -36.199  89.588   6.158  1.00 44.51           O  
-ATOM    479  N   TRP C 134     -36.449  90.958  10.748  1.00 36.56           N  
-ATOM    480  CA  TRP C 134     -37.137  91.231  11.997  1.00 40.83           C  
-ATOM    481  C   TRP C 134     -37.796  92.610  11.908  1.00 48.91           C  
-ATOM    482  O   TRP C 134     -37.189  93.577  11.429  1.00 49.10           O  
-ATOM    483  CB  TRP C 134     -36.148  91.166  13.164  1.00 36.26           C  
-ATOM    484  CG  TRP C 134     -35.602  89.782  13.366  1.00 35.45           C  
-ATOM    485  CD1 TRP C 134     -34.461  89.256  12.817  1.00 35.30           C  
-ATOM    486  CD2 TRP C 134     -36.190  88.734  14.139  1.00 33.47           C  
-ATOM    487  NE1 TRP C 134     -34.304  87.948  13.207  1.00 33.61           N  
-ATOM    488  CE2 TRP C 134     -35.353  87.598  14.017  1.00 33.23           C  
-ATOM    489  CE3 TRP C 134     -37.350  88.630  14.920  1.00 29.74           C  
-ATOM    490  CZ2 TRP C 134     -35.634  86.388  14.657  1.00 27.55           C  
-ATOM    491  CZ3 TRP C 134     -37.618  87.423  15.563  1.00 27.44           C  
-ATOM    492  CH2 TRP C 134     -36.771  86.320  15.417  1.00 26.82           C  
-ATOM    493  N   LYS C 135     -39.050  92.675  12.333  1.00 51.29           N  
-ATOM    494  CA  LYS C 135     -39.796  93.923  12.353  1.00 53.89           C  
-ATOM    495  C   LYS C 135     -40.286  94.201  13.764  1.00 53.80           C  
-ATOM    496  O   LYS C 135     -40.414  93.276  14.575  1.00 49.28           O  
-ATOM    497  CB  LYS C 135     -40.980  93.852  11.388  1.00 57.57           C  
-ATOM    498  CG  LYS C 135     -40.620  94.128   9.933  1.00 61.85           C  
-ATOM    499  CD  LYS C 135     -41.348  93.171   9.002  1.00 64.48           C  
-ATOM    500  CE  LYS C 135     -41.035  93.469   7.545  1.00 66.91           C  
-ATOM    501  NZ  LYS C 135     -40.224  92.380   6.931  1.00 67.90           N  
-ATOM    502  N   ARG C 136     -40.549  95.477  14.050  1.00 54.43           N  
-ATOM    503  CA  ARG C 136     -41.168  95.903  15.305  1.00 54.20           C  
-ATOM    504  C   ARG C 136     -42.381  95.021  15.583  1.00 44.87           C  
-ATOM    505  O   ARG C 136     -43.190  94.763  14.688  1.00 41.57           O  
-ATOM    506  CB  ARG C 136     -41.589  97.379  15.227  1.00 60.43           C  
-ATOM    507  CG  ARG C 136     -41.326  98.197  16.495  1.00 65.86           C  
-ATOM    508  CD  ARG C 136     -41.347  99.715  16.268  1.00 71.83           C  
-ATOM    509  NE  ARG C 136     -42.094 100.459  17.291  1.00 75.81           N  
-ATOM    510  CZ  ARG C 136     -43.426 100.588  17.334  1.00 78.16           C  
-ATOM    511  NH1 ARG C 136     -44.203 100.012  16.419  1.00 77.13           N  
-ATOM    512  NH2 ARG C 136     -43.988 101.297  18.307  1.00 78.56           N  
-ATOM    513  N   GLY C 137     -42.475  94.524  16.810  1.00 41.89           N  
-ATOM    514  CA  GLY C 137     -43.595  93.686  17.197  1.00 42.05           C  
-ATOM    515  C   GLY C 137     -43.380  92.191  17.041  1.00 40.46           C  
-ATOM    516  O   GLY C 137     -44.225  91.400  17.463  1.00 45.61           O  
-ATOM    517  N   ASP C 138     -42.271  91.800  16.424  1.00 36.12           N  
-ATOM    518  CA  ASP C 138     -41.912  90.389  16.328  1.00 34.16           C  
-ATOM    519  C   ASP C 138     -41.528  89.870  17.697  1.00 31.35           C  
-ATOM    520  O   ASP C 138     -40.749  90.497  18.425  1.00 27.75           O  
-ATOM    521  CB  ASP C 138     -40.741  90.177  15.376  1.00 35.85           C  
-ATOM    522  CG  ASP C 138     -41.163  90.177  13.928  1.00 38.19           C  
-ATOM    523  OD1 ASP C 138     -42.383  90.182  13.654  1.00 37.31           O  
-ATOM    524  OD2 ASP C 138     -40.337  90.176  12.992  1.00 40.40           O  
-ATOM    525  N   ASP C 139     -42.092  88.726  18.058  1.00 27.38           N  
-ATOM    526  CA  ASP C 139     -41.690  88.084  19.293  1.00 24.70           C  
-ATOM    527  C   ASP C 139     -40.779  86.906  18.965  1.00 24.86           C  
-ATOM    528  O   ASP C 139     -41.227  85.910  18.410  1.00 26.36           O  
-ATOM    529  CB  ASP C 139     -42.905  87.655  20.124  1.00 22.82           C  
-ATOM    530  CG  ASP C 139     -42.508  87.139  21.494  1.00 20.40           C  
-ATOM    531  OD1 ASP C 139     -41.429  86.554  21.699  1.00 25.92           O  
-ATOM    532  OD2 ASP C 139     -43.271  87.314  22.468  1.00 26.51           O  
-ATOM    533  N   PRO C 140     -39.493  87.032  19.283  1.00 26.24           N  
-ATOM    534  CA  PRO C 140     -38.518  85.978  18.978  1.00 23.56           C  
-ATOM    535  C   PRO C 140     -38.874  84.595  19.535  1.00 23.92           C  
-ATOM    536  O   PRO C 140     -38.540  83.608  18.885  1.00 25.76           O  
-ATOM    537  CB  PRO C 140     -37.214  86.527  19.581  1.00 22.89           C  
-ATOM    538  CG  PRO C 140     -37.410  88.008  19.511  1.00 22.62           C  
-ATOM    539  CD  PRO C 140     -38.849  88.202  19.907  1.00 23.58           C  
-ATOM    540  N   TRP C 141     -39.538  84.510  20.685  1.00 22.28           N  
-ATOM    541  CA  TRP C 141     -39.990  83.206  21.192  1.00 19.78           C  
-ATOM    542  C   TRP C 141     -41.081  82.633  20.302  1.00 17.58           C  
-ATOM    543  O   TRP C 141     -41.073  81.454  19.970  1.00 19.75           O  
-ATOM    544  CB  TRP C 141     -40.546  83.334  22.612  1.00 17.97           C  
-ATOM    545  CG  TRP C 141     -39.509  83.471  23.634  1.00 18.48           C  
-ATOM    546  CD1 TRP C 141     -39.301  84.546  24.447  1.00 18.71           C  
-ATOM    547  CD2 TRP C 141     -38.527  82.500  23.994  1.00 19.09           C  
-ATOM    548  NE1 TRP C 141     -38.248  84.300  25.290  1.00 19.08           N  
-ATOM    549  CE2 TRP C 141     -37.754  83.050  25.030  1.00 18.85           C  
-ATOM    550  CE3 TRP C 141     -38.210  81.217  23.535  1.00 19.28           C  
-ATOM    551  CZ2 TRP C 141     -36.702  82.360  25.627  1.00 23.80           C  
-ATOM    552  CZ3 TRP C 141     -37.160  80.543  24.125  1.00 18.38           C  
-ATOM    553  CH2 TRP C 141     -36.425  81.112  25.161  1.00 18.95           C  
-ATOM    554  N   THR C 142     -42.021  83.486  19.928  1.00 17.18           N  
-ATOM    555  CA  THR C 142     -43.128  83.100  19.064  1.00 19.86           C  
-ATOM    556  C   THR C 142     -42.615  82.711  17.696  1.00 21.26           C  
-ATOM    557  O   THR C 142     -43.044  81.703  17.127  1.00 20.21           O  
-ATOM    558  CB  THR C 142     -44.081  84.264  18.950  1.00 18.95           C  
-ATOM    559  OG1 THR C 142     -44.557  84.584  20.262  1.00 19.42           O  
-ATOM    560  CG2 THR C 142     -45.336  83.886  18.171  1.00 20.08           C  
-ATOM    561  N   GLU C 143     -41.676  83.501  17.183  1.00 19.92           N  
-ATOM    562  CA  GLU C 143     -41.074  83.234  15.883  1.00 21.86           C  
-ATOM    563  C   GLU C 143     -40.315  81.907  15.948  1.00 19.74           C  
-ATOM    564  O   GLU C 143     -40.399  81.088  15.041  1.00 21.50           O  
-ATOM    565  CB  GLU C 143     -40.140  84.375  15.479  1.00 22.99           C  
-ATOM    566  CG  GLU C 143     -40.848  85.665  15.101  1.00 22.96           C  
-ATOM    567  CD  GLU C 143     -41.956  85.456  14.078  1.00 29.25           C  
-ATOM    568  OE1 GLU C 143     -41.675  84.931  12.987  1.00 30.17           O  
-ATOM    569  OE2 GLU C 143     -43.117  85.813  14.358  1.00 32.99           O  
-ATOM    570  N   HIS C 144     -39.603  81.700  17.049  1.00 17.95           N  
-ATOM    571  CA  HIS C 144     -38.882  80.463  17.289  1.00 16.57           C  
-ATOM    572  C   HIS C 144     -39.843  79.266  17.231  1.00 19.53           C  
-ATOM    573  O   HIS C 144     -39.561  78.260  16.582  1.00 21.93           O  
-ATOM    574  CB  HIS C 144     -38.166  80.545  18.646  1.00 15.14           C  
-ATOM    575  CG  HIS C 144     -36.929  79.707  18.731  1.00 17.27           C  
-ATOM    576  ND1 HIS C 144     -35.863  80.045  19.533  1.00 15.81           N  
-ATOM    577  CD2 HIS C 144     -36.597  78.534  18.136  1.00 16.01           C  
-ATOM    578  CE1 HIS C 144     -34.917  79.134  19.412  1.00 18.72           C  
-ATOM    579  NE2 HIS C 144     -35.337  78.205  18.571  1.00 17.12           N  
-ATOM    580  N   ALA C 145     -41.004  79.400  17.861  1.00 17.46           N  
-ATOM    581  CA  ALA C 145     -41.995  78.317  17.874  1.00 18.76           C  
-ATOM    582  C   ALA C 145     -42.685  78.127  16.537  1.00 18.08           C  
-ATOM    583  O   ALA C 145     -43.081  77.020  16.183  1.00 17.71           O  
-ATOM    584  CB  ALA C 145     -43.025  78.556  18.974  1.00 13.53           C  
-ATOM    585  N   LYS C 146     -42.833  79.218  15.800  1.00 15.58           N  
-ATOM    586  CA  LYS C 146     -43.493  79.186  14.515  1.00 19.06           C  
-ATOM    587  C   LYS C 146     -42.674  78.393  13.506  1.00 19.86           C  
-ATOM    588  O   LYS C 146     -43.220  77.601  12.728  1.00 21.79           O  
-ATOM    589  CB  LYS C 146     -43.726  80.620  14.036  1.00 27.57           C  
-ATOM    590  CG  LYS C 146     -44.405  80.758  12.690  1.00 36.70           C  
-ATOM    591  CD  LYS C 146     -44.630  82.234  12.327  1.00 41.41           C  
-ATOM    592  CE  LYS C 146     -44.803  82.381  10.808  1.00 49.92           C  
-ATOM    593  NZ  LYS C 146     -45.142  83.765  10.352  1.00 52.92           N  
-ATOM    594  N   TRP C 147     -41.364  78.590  13.535  1.00 18.43           N  
-ATOM    595  CA  TRP C 147     -40.496  78.058  12.485  1.00 18.68           C  
-ATOM    596  C   TRP C 147     -39.735  76.824  12.880  1.00 15.21           C  
-ATOM    597  O   TRP C 147     -39.396  76.007  12.026  1.00 18.27           O  
-ATOM    598  CB  TRP C 147     -39.500  79.121  12.038  1.00 16.67           C  
-ATOM    599  CG  TRP C 147     -40.178  80.306  11.427  1.00 22.44           C  
-ATOM    600  CD1 TRP C 147     -40.289  81.556  11.962  1.00 18.10           C  
-ATOM    601  CD2 TRP C 147     -40.851  80.345  10.169  1.00 23.57           C  
-ATOM    602  NE1 TRP C 147     -40.993  82.370  11.113  1.00 22.33           N  
-ATOM    603  CE2 TRP C 147     -41.343  81.652   9.998  1.00 22.80           C  
-ATOM    604  CE3 TRP C 147     -41.084  79.401   9.157  1.00 23.28           C  
-ATOM    605  CZ2 TRP C 147     -42.047  82.046   8.856  1.00 26.10           C  
-ATOM    606  CZ3 TRP C 147     -41.788  79.789   8.019  1.00 25.98           C  
-ATOM    607  CH2 TRP C 147     -42.264  81.103   7.880  1.00 24.97           C  
-ATOM    608  N   PHE C 148     -39.451  76.694  14.173  1.00 14.30           N  
-ATOM    609  CA  PHE C 148     -38.621  75.601  14.659  1.00 16.30           C  
-ATOM    610  C   PHE C 148     -39.258  74.908  15.864  1.00 18.12           C  
-ATOM    611  O   PHE C 148     -38.682  74.880  16.937  1.00 13.81           O  
-ATOM    612  CB  PHE C 148     -37.213  76.130  14.956  1.00 17.53           C  
-ATOM    613  CG  PHE C 148     -36.733  77.125  13.936  1.00 16.10           C  
-ATOM    614  CD1 PHE C 148     -36.492  76.730  12.617  1.00 17.77           C  
-ATOM    615  CD2 PHE C 148     -36.545  78.453  14.281  1.00 19.27           C  
-ATOM    616  CE1 PHE C 148     -36.080  77.661  11.656  1.00 14.69           C  
-ATOM    617  CE2 PHE C 148     -36.104  79.384  13.340  1.00 17.35           C  
-ATOM    618  CZ  PHE C 148     -35.893  78.988  12.019  1.00 18.45           C  
-ATOM    619  N   PRO C 149     -40.452  74.352  15.663  1.00 16.49           N  
-ATOM    620  CA  PRO C 149     -41.259  73.813  16.759  1.00 19.19           C  
-ATOM    621  C   PRO C 149     -40.579  72.709  17.554  1.00 20.25           C  
-ATOM    622  O   PRO C 149     -40.888  72.529  18.733  1.00 18.30           O  
-ATOM    623  CB  PRO C 149     -42.522  73.275  16.052  1.00 14.40           C  
-ATOM    624  CG  PRO C 149     -42.158  73.160  14.591  1.00 13.10           C  
-ATOM    625  CD  PRO C 149     -41.137  74.227  14.361  1.00 18.83           C  
-ATOM    626  N   SER C 150     -39.639  72.002  16.945  1.00 18.63           N  
-ATOM    627  CA  SER C 150     -39.031  70.890  17.648  1.00 22.03           C  
-ATOM    628  C   SER C 150     -37.693  71.259  18.298  1.00 18.79           C  
-ATOM    629  O   SER C 150     -37.005  70.420  18.850  1.00 20.51           O  
-ATOM    630  CB  SER C 150     -38.947  69.667  16.727  1.00 21.04           C  
-ATOM    631  OG  SER C 150     -37.815  69.753  15.897  1.00 36.55           O  
-ATOM    632  N   CYS C 151     -37.337  72.535  18.244  1.00 17.10           N  
-ATOM    633  CA  CYS C 151     -36.122  72.996  18.886  1.00 18.43           C  
-ATOM    634  C   CYS C 151     -36.196  72.683  20.377  1.00 20.28           C  
-ATOM    635  O   CYS C 151     -37.124  73.132  21.064  1.00 15.86           O  
-ATOM    636  CB  CYS C 151     -35.963  74.504  18.725  1.00 15.27           C  
-ATOM    637  SG  CYS C 151     -34.537  75.055  19.683  1.00 17.67           S  
-ATOM    638  N   GLN C 152     -35.228  71.930  20.880  1.00 18.08           N  
-ATOM    639  CA  GLN C 152     -35.305  71.464  22.261  1.00 22.21           C  
-ATOM    640  C   GLN C 152     -34.983  72.554  23.273  1.00 23.62           C  
-ATOM    641  O   GLN C 152     -35.394  72.473  24.430  1.00 21.32           O  
-ATOM    642  CB  GLN C 152     -34.386  70.276  22.496  1.00 24.63           C  
-ATOM    643  CG  GLN C 152     -34.932  68.952  22.025  1.00 31.04           C  
-ATOM    644  CD  GLN C 152     -33.805  67.988  21.731  1.00 38.08           C  
-ATOM    645  OE1 GLN C 152     -33.440  67.176  22.581  1.00 37.92           O  
-ATOM    646  NE2 GLN C 152     -33.222  68.101  20.538  1.00 40.44           N  
-ATOM    647  N   PHE C 153     -34.235  73.563  22.845  1.00 21.83           N  
-ATOM    648  CA  PHE C 153     -34.013  74.716  23.695  1.00 22.17           C  
-ATOM    649  C   PHE C 153     -35.324  75.463  23.860  1.00 22.33           C  
-ATOM    650  O   PHE C 153     -35.701  75.837  24.967  1.00 23.34           O  
-ATOM    651  CB  PHE C 153     -32.989  75.671  23.096  1.00 18.72           C  
-ATOM    652  CG  PHE C 153     -32.963  77.011  23.780  1.00 20.59           C  
-ATOM    653  CD1 PHE C 153     -32.382  77.149  25.047  1.00 21.70           C  
-ATOM    654  CD2 PHE C 153     -33.561  78.116  23.193  1.00 19.57           C  
-ATOM    655  CE1 PHE C 153     -32.358  78.380  25.693  1.00 17.70           C  
-ATOM    656  CE2 PHE C 153     -33.541  79.352  23.832  1.00 19.41           C  
-ATOM    657  CZ  PHE C 153     -32.934  79.478  25.086  1.00 18.50           C  
-ATOM    658  N   LEU C 154     -35.995  75.692  22.735  1.00 18.88           N  
-ATOM    659  CA  LEU C 154     -37.285  76.344  22.723  1.00 18.14           C  
-ATOM    660  C   LEU C 154     -38.256  75.561  23.597  1.00 18.32           C  
-ATOM    661  O   LEU C 154     -38.924  76.143  24.434  1.00 14.92           O  
-ATOM    662  CB  LEU C 154     -37.829  76.460  21.284  1.00 17.66           C  
-ATOM    663  CG  LEU C 154     -39.321  76.773  21.127  1.00 19.53           C  
-ATOM    664  CD1 LEU C 154     -39.650  78.172  21.696  1.00 14.06           C  
-ATOM    665  CD2 LEU C 154     -39.733  76.670  19.670  1.00 17.99           C  
-ATOM    666  N   LEU C 155     -38.332  74.246  23.396  1.00 16.08           N  
-ATOM    667  CA  LEU C 155     -39.280  73.418  24.143  1.00 17.39           C  
-ATOM    668  C   LEU C 155     -38.977  73.362  25.642  1.00 16.91           C  
-ATOM    669  O   LEU C 155     -39.883  73.434  26.460  1.00 18.32           O  
-ATOM    670  CB  LEU C 155     -39.345  72.002  23.555  1.00 16.41           C  
-ATOM    671  CG  LEU C 155     -40.049  71.918  22.191  1.00 21.57           C  
-ATOM    672  CD1 LEU C 155     -39.762  70.577  21.535  1.00 15.77           C  
-ATOM    673  CD2 LEU C 155     -41.566  72.122  22.345  1.00 18.12           C  
-ATOM    674  N   ARG C 156     -37.701  73.263  25.991  1.00 20.34           N  
-ATOM    675  CA  ARG C 156     -37.286  73.241  27.388  1.00 24.90           C  
-ATOM    676  C   ARG C 156     -37.690  74.539  28.074  1.00 20.87           C  
-ATOM    677  O   ARG C 156     -38.205  74.522  29.187  1.00 21.07           O  
-ATOM    678  CB  ARG C 156     -35.777  73.040  27.502  1.00 31.29           C  
-ATOM    679  CG  ARG C 156     -35.361  71.593  27.684  1.00 49.56           C  
-ATOM    680  CD  ARG C 156     -34.892  71.258  29.098  1.00 62.05           C  
-ATOM    681  NE  ARG C 156     -33.442  71.067  29.180  1.00 70.93           N  
-ATOM    682  CZ  ARG C 156     -32.557  72.028  29.454  1.00 76.58           C  
-ATOM    683  NH1 ARG C 156     -32.953  73.281  29.674  1.00 75.58           N  
-ATOM    684  NH2 ARG C 156     -31.262  71.731  29.508  1.00 78.20           N  
-ATOM    685  N   SER C 157     -37.469  75.656  27.385  1.00 18.71           N  
-ATOM    686  CA  SER C 157     -37.753  76.977  27.918  1.00 19.03           C  
-ATOM    687  C   SER C 157     -39.240  77.226  28.012  1.00 20.94           C  
-ATOM    688  O   SER C 157     -39.746  77.627  29.065  1.00 18.80           O  
-ATOM    689  CB  SER C 157     -37.134  78.064  27.030  1.00 18.12           C  
-ATOM    690  OG  SER C 157     -35.732  77.936  26.953  1.00 22.71           O  
-ATOM    691  N   LYS C 158     -39.943  76.982  26.906  1.00 18.99           N  
-ATOM    692  CA  LYS C 158     -41.300  77.488  26.763  1.00 17.46           C  
-ATOM    693  C   LYS C 158     -42.380  76.427  26.825  1.00 16.65           C  
-ATOM    694  O   LYS C 158     -43.564  76.740  27.031  1.00 16.56           O  
-ATOM    695  CB  LYS C 158     -41.408  78.307  25.478  1.00 20.49           C  
-ATOM    696  CG  LYS C 158     -40.589  79.615  25.526  1.00 21.22           C  
-ATOM    697  CD  LYS C 158     -40.856  80.393  26.830  1.00 18.72           C  
-ATOM    698  CE  LYS C 158     -40.135  81.740  26.865  1.00 22.12           C  
-ATOM    699  NZ  LYS C 158     -40.102  82.316  28.266  1.00 22.74           N  
-ATOM    700  N   GLY C 159     -41.977  75.176  26.627  1.00 18.11           N  
-ATOM    701  CA  GLY C 159     -42.902  74.065  26.739  1.00 19.42           C  
-ATOM    702  C   GLY C 159     -43.613  73.737  25.441  1.00 22.78           C  
-ATOM    703  O   GLY C 159     -43.640  74.537  24.502  1.00 18.00           O  
-ATOM    704  N   ARG C 160     -44.196  72.543  25.429  1.00 20.44           N  
-ATOM    705  CA  ARG C 160     -44.900  71.960  24.301  1.00 25.45           C  
-ATOM    706  C   ARG C 160     -46.189  72.709  23.982  1.00 21.58           C  
-ATOM    707  O   ARG C 160     -46.503  72.950  22.808  1.00 21.77           O  
-ATOM    708  CB  ARG C 160     -45.245  70.518  24.681  1.00 33.16           C  
-ATOM    709  CG  ARG C 160     -45.595  69.566  23.569  1.00 44.28           C  
-ATOM    710  CD  ARG C 160     -45.073  68.145  23.832  1.00 52.99           C  
-ATOM    711  NE  ARG C 160     -43.616  68.160  23.975  1.00 58.64           N  
-ATOM    712  CZ  ARG C 160     -42.820  67.097  23.885  1.00 64.12           C  
-ATOM    713  NH1 ARG C 160     -43.321  65.879  23.663  1.00 62.73           N  
-ATOM    714  NH2 ARG C 160     -41.507  67.258  24.030  1.00 65.75           N  
-ATOM    715  N   ASP C 161     -46.953  73.050  25.022  1.00 17.46           N  
-ATOM    716  CA  ASP C 161     -48.243  73.696  24.837  1.00 20.07           C  
-ATOM    717  C   ASP C 161     -48.074  75.020  24.125  1.00 20.03           C  
-ATOM    718  O   ASP C 161     -48.865  75.364  23.257  1.00 24.78           O  
-ATOM    719  CB  ASP C 161     -48.945  73.959  26.168  1.00 25.95           C  
-ATOM    720  CG  ASP C 161     -49.318  72.684  26.911  1.00 33.94           C  
-ATOM    721  OD1 ASP C 161     -49.101  71.556  26.401  1.00 34.20           O  
-ATOM    722  OD2 ASP C 161     -49.836  72.729  28.044  1.00 37.57           O  
-ATOM    723  N   PHE C 162     -47.064  75.783  24.522  1.00 17.84           N  
-ATOM    724  CA  PHE C 162     -46.831  77.066  23.896  1.00 16.91           C  
-ATOM    725  C   PHE C 162     -46.484  76.882  22.417  1.00 18.62           C  
-ATOM    726  O   PHE C 162     -46.987  77.613  21.562  1.00 17.49           O  
-ATOM    727  CB  PHE C 162     -45.719  77.838  24.615  1.00 21.54           C  
-ATOM    728  CG  PHE C 162     -45.220  79.010  23.846  1.00 24.99           C  
-ATOM    729  CD1 PHE C 162     -45.939  80.200  23.832  1.00 25.11           C  
-ATOM    730  CD2 PHE C 162     -44.058  78.913  23.091  1.00 20.53           C  
-ATOM    731  CE1 PHE C 162     -45.492  81.288  23.102  1.00 26.01           C  
-ATOM    732  CE2 PHE C 162     -43.608  79.995  22.361  1.00 24.10           C  
-ATOM    733  CZ  PHE C 162     -44.326  81.185  22.367  1.00 23.29           C  
-ATOM    734  N   VAL C 163     -45.619  75.914  22.122  1.00 18.49           N  
-ATOM    735  CA  VAL C 163     -45.216  75.661  20.741  1.00 21.11           C  
-ATOM    736  C   VAL C 163     -46.412  75.190  19.910  1.00 26.91           C  
-ATOM    737  O   VAL C 163     -46.634  75.660  18.781  1.00 23.79           O  
-ATOM    738  CB  VAL C 163     -44.064  74.641  20.661  1.00 18.50           C  
-ATOM    739  CG1 VAL C 163     -43.785  74.306  19.225  1.00 16.39           C  
-ATOM    740  CG2 VAL C 163     -42.805  75.238  21.283  1.00 17.33           C  
-ATOM    741  N   HIS C 164     -47.182  74.267  20.484  1.00 23.78           N  
-ATOM    742  CA  HIS C 164     -48.392  73.778  19.849  1.00 26.86           C  
-ATOM    743  C   HIS C 164     -49.374  74.917  19.595  1.00 29.37           C  
-ATOM    744  O   HIS C 164     -49.911  75.031  18.500  1.00 28.95           O  
-ATOM    745  CB  HIS C 164     -49.025  72.686  20.706  1.00 32.86           C  
-ATOM    746  CG  HIS C 164     -50.278  72.127  20.127  1.00 40.45           C  
-ATOM    747  ND1 HIS C 164     -51.530  72.507  20.563  1.00 44.60           N  
-ATOM    748  CD2 HIS C 164     -50.478  71.230  19.135  1.00 42.30           C  
-ATOM    749  CE1 HIS C 164     -52.448  71.860  19.867  1.00 46.51           C  
-ATOM    750  NE2 HIS C 164     -51.836  71.076  18.998  1.00 44.71           N  
-ATOM    751  N   SER C 165     -49.586  75.781  20.589  1.00 25.90           N  
-ATOM    752  CA  SER C 165     -50.469  76.929  20.398  1.00 27.83           C  
-ATOM    753  C   SER C 165     -50.000  77.809  19.220  1.00 31.71           C  
-ATOM    754  O   SER C 165     -50.793  78.166  18.341  1.00 30.79           O  
-ATOM    755  CB  SER C 165     -50.567  77.740  21.679  1.00 28.10           C  
-ATOM    756  OG  SER C 165     -51.220  78.960  21.440  1.00 40.36           O  
-ATOM    757  N   VAL C 166     -48.710  78.143  19.205  1.00 27.49           N  
-ATOM    758  CA  VAL C 166     -48.148  78.960  18.143  1.00 27.15           C  
-ATOM    759  C   VAL C 166     -48.263  78.251  16.790  1.00 27.84           C  
-ATOM    760  O   VAL C 166     -48.638  78.876  15.793  1.00 30.65           O  
-ATOM    761  CB  VAL C 166     -46.684  79.343  18.428  1.00 25.58           C  
-ATOM    762  CG1 VAL C 166     -46.008  79.929  17.171  1.00 21.84           C  
-ATOM    763  CG2 VAL C 166     -46.614  80.328  19.587  1.00 21.21           C  
-ATOM    764  N   GLN C 167     -47.969  76.954  16.767  1.00 26.87           N  
-ATOM    765  CA  GLN C 167     -48.050  76.174  15.536  1.00 31.03           C  
-ATOM    766  C   GLN C 167     -49.466  76.206  14.962  1.00 37.33           C  
-ATOM    767  O   GLN C 167     -49.645  76.309  13.747  1.00 35.55           O  
-ATOM    768  CB  GLN C 167     -47.580  74.726  15.739  1.00 26.43           C  
-ATOM    769  CG  GLN C 167     -46.052  74.517  15.689  1.00 29.51           C  
-ATOM    770  CD  GLN C 167     -45.429  74.785  14.310  1.00 33.33           C  
-ATOM    771  OE1 GLN C 167     -45.732  74.087  13.344  1.00 35.25           O  
-ATOM    772  NE2 GLN C 167     -44.553  75.792  14.227  1.00 25.99           N  
-ATOM    773  N   GLU C 168     -50.471  76.149  15.830  1.00 39.92           N  
-ATOM    774  CA  GLU C 168     -51.846  76.080  15.350  1.00 46.86           C  
-ATOM    775  C   GLU C 168     -52.404  77.427  14.848  1.00 50.68           C  
-ATOM    776  O   GLU C 168     -53.163  77.457  13.879  1.00 51.03           O  
-ATOM    777  CB  GLU C 168     -52.757  75.378  16.374  1.00 52.63           C  
-ATOM    778  CG  GLU C 168     -53.537  76.280  17.322  1.00 61.15           C  
-ATOM    779  CD  GLU C 168     -54.167  75.512  18.476  1.00 67.99           C  
-ATOM    780  OE1 GLU C 168     -54.793  74.452  18.222  1.00 69.25           O  
-ATOM    781  OE2 GLU C 168     -54.036  75.968  19.639  1.00 69.12           O  
-ATOM    782  N   THR C 169     -52.011  78.531  15.481  1.00 53.04           N  
-ATOM    783  CA  THR C 169     -52.540  79.844  15.113  1.00 57.95           C  
-ATOM    784  C   THR C 169     -51.688  80.558  14.063  1.00 63.30           C  
-ATOM    785  O   THR C 169     -52.056  81.635  13.594  1.00 64.44           O  
-ATOM    786  CB  THR C 169     -52.765  80.758  16.358  1.00 59.04           C  
-ATOM    787  OG1 THR C 169     -51.520  81.023  17.014  1.00 57.35           O  
-ATOM    788  CG2 THR C 169     -53.603  80.055  17.433  1.00 60.88           C  
-ATOM    789  N   HIS C 170     -50.555  79.956  13.704  1.00 68.82           N  
-ATOM    790  CA  HIS C 170     -49.676  80.484  12.659  1.00 74.57           C  
-ATOM    791  C   HIS C 170     -49.373  79.392  11.633  1.00 79.56           C  
-ATOM    792  O   HIS C 170     -48.207  79.062  11.387  1.00 80.57           O  
-ATOM    793  CB  HIS C 170     -48.366  81.035  13.247  1.00 73.95           C  
-ATOM    794  CG  HIS C 170     -48.546  82.215  14.154  1.00 74.06           C  
-ATOM    795  ND1 HIS C 170     -48.629  82.095  15.525  1.00 74.27           N  
-ATOM    796  CD2 HIS C 170     -48.641  83.540  13.887  1.00 76.18           C  
-ATOM    797  CE1 HIS C 170     -48.777  83.293  16.063  1.00 75.10           C  
-ATOM    798  NE2 HIS C 170     -48.787  84.188  15.091  1.00 76.38           N  
-ATOM    799  N   SER C 171     -50.434  78.826  11.057  1.00 83.80           N  
-ATOM    800  CA  SER C 171     -50.336  77.841   9.976  1.00 87.95           C  
-ATOM    801  C   SER C 171     -51.724  77.531   9.405  1.00 90.07           C  
-ATOM    802  O   SER C 171     -52.003  77.788   8.230  1.00 89.75           O  
-ATOM    803  CB  SER C 171     -49.628  76.556  10.443  1.00 88.78           C  
-ATOM    804  OG  SER C 171     -50.463  75.411  10.338  1.00 89.97           O  

Deleted: SwiftApps/modFTDock/input/1q02-1.pdb
===================================================================
--- SwiftApps/modFTDock/input/1q02-1.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/1q02-1.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,795 +0,0 @@
-ATOM      1  N   GLY A   1      22.381  14.241   2.970  1.00  0.00           N  
-ATOM      2  CA  GLY A   1      21.096  14.737   2.405  1.00  0.00           C  
-ATOM      3  C   GLY A   1      19.937  13.907   2.963  1.00  0.00           C  
-ATOM      4  O   GLY A   1      20.093  12.748   3.291  1.00  0.00           O  
-ATOM      5  H1  GLY A   1      22.233  13.933   3.952  1.00  0.00           H  
-ATOM      6  H2  GLY A   1      23.087  15.006   2.948  1.00  0.00           H  
-ATOM      7  H3  GLY A   1      22.722  13.437   2.406  1.00  0.00           H  
-ATOM      8  HA2 GLY A   1      20.960  15.775   2.675  1.00  0.00           H  
-ATOM      9  HA3 GLY A   1      21.115  14.644   1.330  1.00  0.00           H  
-ATOM     10  N   SER A   2      18.775  14.490   3.073  1.00  0.00           N  
-ATOM     11  CA  SER A   2      17.607  13.732   3.609  1.00  0.00           C  
-ATOM     12  C   SER A   2      16.307  14.485   3.317  1.00  0.00           C  
-ATOM     13  O   SER A   2      15.732  15.099   4.195  1.00  0.00           O  
-ATOM     14  CB  SER A   2      17.848  13.643   5.115  1.00  0.00           C  
-ATOM     15  OG  SER A   2      16.960  12.686   5.677  1.00  0.00           O  
-ATOM     16  H   SER A   2      18.668  15.426   2.802  1.00  0.00           H  
-ATOM     17  HA  SER A   2      17.573  12.743   3.182  1.00  0.00           H  
-ATOM     18  HB2 SER A   2      18.863  13.336   5.302  1.00  0.00           H  
-ATOM     19  HB3 SER A   2      17.679  14.613   5.564  1.00  0.00           H  
-ATOM     20  HG  SER A   2      16.254  13.161   6.121  1.00  0.00           H  
-ATOM     21  N   PRO A   3      15.886  14.410   2.083  1.00  0.00           N  
-ATOM     22  CA  PRO A   3      14.638  15.093   1.661  1.00  0.00           C  
-ATOM     23  C   PRO A   3      13.413  14.352   2.209  1.00  0.00           C  
-ATOM     24  O   PRO A   3      13.251  13.170   1.983  1.00  0.00           O  
-ATOM     25  CB  PRO A   3      14.686  15.012   0.138  1.00  0.00           C  
-ATOM     26  CG  PRO A   3      15.550  13.827  -0.162  1.00  0.00           C  
-ATOM     27  CD  PRO A   3      16.528  13.692   0.977  1.00  0.00           C  
-ATOM     28  HA  PRO A   3      14.640  16.122   1.977  1.00  0.00           H  
-ATOM     29  HB2 PRO A   3      13.691  14.865  -0.259  1.00  0.00           H  
-ATOM     30  HB3 PRO A   3      15.129  15.905  -0.273  1.00  0.00           H  
-ATOM     31  HG2 PRO A   3      14.940  12.937  -0.236  1.00  0.00           H  
-ATOM     32  HG3 PRO A   3      16.086  13.986  -1.084  1.00  0.00           H  
-ATOM     33  HD2 PRO A   3      16.671  12.650   1.230  1.00  0.00           H  
-ATOM     34  HD3 PRO A   3      17.468  14.157   0.727  1.00  0.00           H  
-ATOM     35  N   PRO A   4      12.588  15.079   2.915  1.00  0.00           N  
-ATOM     36  CA  PRO A   4      11.363  14.484   3.502  1.00  0.00           C  
-ATOM     37  C   PRO A   4      10.312  14.240   2.416  1.00  0.00           C  
-ATOM     38  O   PRO A   4       9.228  13.760   2.684  1.00  0.00           O  
-ATOM     39  CB  PRO A   4      10.887  15.547   4.487  1.00  0.00           C  
-ATOM     40  CG  PRO A   4      11.447  16.835   3.972  1.00  0.00           C  
-ATOM     41  CD  PRO A   4      12.717  16.506   3.231  1.00  0.00           C  
-ATOM     42  HA  PRO A   4      11.593  13.571   4.024  1.00  0.00           H  
-ATOM     43  HB2 PRO A   4       9.807  15.584   4.506  1.00  0.00           H  
-ATOM     44  HB3 PRO A   4      11.275  15.345   5.475  1.00  0.00           H  
-ATOM     45  HG2 PRO A   4      10.737  17.301   3.302  1.00  0.00           H  
-ATOM     46  HG3 PRO A   4      11.668  17.498   4.794  1.00  0.00           H  
-ATOM     47  HD2 PRO A   4      12.788  17.093   2.325  1.00  0.00           H  
-ATOM     48  HD3 PRO A   4      13.578  16.671   3.860  1.00  0.00           H  
-ATOM     49  N   GLU A   5      10.624  14.565   1.191  1.00  0.00           N  
-ATOM     50  CA  GLU A   5       9.643  14.352   0.090  1.00  0.00           C  
-ATOM     51  C   GLU A   5      10.030  13.126  -0.741  1.00  0.00           C  
-ATOM     52  O   GLU A   5       9.871  13.106  -1.946  1.00  0.00           O  
-ATOM     53  CB  GLU A   5       9.716  15.612  -0.756  1.00  0.00           C  
-ATOM     54  CG  GLU A   5       8.345  16.290  -0.785  1.00  0.00           C  
-ATOM     55  CD  GLU A   5       8.032  16.753  -2.210  1.00  0.00           C  
-ATOM     56  OE1 GLU A   5       8.773  16.389  -3.107  1.00  0.00           O  
-ATOM     57  OE2 GLU A   5       7.055  17.464  -2.378  1.00  0.00           O  
-ATOM     58  H   GLU A   5      11.503  14.950   0.998  1.00  0.00           H  
-ATOM     59  HA  GLU A   5       8.654  14.244   0.482  1.00  0.00           H  
-ATOM     60  HB2 GLU A   5      10.441  16.282  -0.329  1.00  0.00           H  
-ATOM     61  HB3 GLU A   5      10.006  15.350  -1.756  1.00  0.00           H  
-ATOM     62  HG2 GLU A   5       7.590  15.590  -0.460  1.00  0.00           H  
-ATOM     63  HG3 GLU A   5       8.352  17.145  -0.125  1.00  0.00           H  
-ATOM     64  N   ALA A   6      10.537  12.105  -0.108  1.00  0.00           N  
-ATOM     65  CA  ALA A   6      10.933  10.883  -0.865  1.00  0.00           C  
-ATOM     66  C   ALA A   6       9.931   9.754  -0.612  1.00  0.00           C  
-ATOM     67  O   ALA A   6       9.848   8.805  -1.366  1.00  0.00           O  
-ATOM     68  CB  ALA A   6      12.312  10.509  -0.320  1.00  0.00           C  
-ATOM     69  H   ALA A   6      10.657  12.140   0.863  1.00  0.00           H  
-ATOM     70  HA  ALA A   6      11.000  11.099  -1.920  1.00  0.00           H  
-ATOM     71  HB1 ALA A   6      12.276   9.513   0.096  1.00  0.00           H  
-ATOM     72  HB2 ALA A   6      12.597  11.210   0.451  1.00  0.00           H  
-ATOM     73  HB3 ALA A   6      13.036  10.540  -1.120  1.00  0.00           H  
-ATOM     74  N   ASP A   7       9.171   9.847   0.446  1.00  0.00           N  
-ATOM     75  CA  ASP A   7       8.179   8.776   0.744  1.00  0.00           C  
-ATOM     76  C   ASP A   7       8.883   7.418   0.819  1.00  0.00           C  
-ATOM     77  O   ASP A   7       8.487   6.474   0.165  1.00  0.00           O  
-ATOM     78  CB  ASP A   7       7.198   8.806  -0.428  1.00  0.00           C  
-ATOM     79  CG  ASP A   7       5.805   9.181   0.079  1.00  0.00           C  
-ATOM     80  OD1 ASP A   7       5.719   9.732   1.164  1.00  0.00           O  
-ATOM     81  OD2 ASP A   7       4.846   8.910  -0.625  1.00  0.00           O  
-ATOM     82  H   ASP A   7       9.255  10.619   1.044  1.00  0.00           H  
-ATOM     83  HA  ASP A   7       7.661   8.985   1.667  1.00  0.00           H  
-ATOM     84  HB2 ASP A   7       7.526   9.537  -1.153  1.00  0.00           H  
-ATOM     85  HB3 ASP A   7       7.160   7.832  -0.891  1.00  0.00           H  
-ATOM     86  N   PRO A   8       9.915   7.373   1.617  1.00  0.00           N  
-ATOM     87  CA  PRO A   8      10.699   6.124   1.784  1.00  0.00           C  
-ATOM     88  C   PRO A   8       9.910   5.093   2.596  1.00  0.00           C  
-ATOM     89  O   PRO A   8      10.273   3.936   2.663  1.00  0.00           O  
-ATOM     90  CB  PRO A   8      11.940   6.580   2.546  1.00  0.00           C  
-ATOM     91  CG  PRO A   8      11.516   7.821   3.268  1.00  0.00           C  
-ATOM     92  CD  PRO A   8      10.445   8.471   2.433  1.00  0.00           C  
-ATOM     93  HA  PRO A   8      10.982   5.721   0.825  1.00  0.00           H  
-ATOM     94  HB2 PRO A   8      12.248   5.819   3.250  1.00  0.00           H  
-ATOM     95  HB3 PRO A   8      12.741   6.808   1.861  1.00  0.00           H  
-ATOM     96  HG2 PRO A   8      11.124   7.562   4.242  1.00  0.00           H  
-ATOM     97  HG3 PRO A   8      12.354   8.492   3.371  1.00  0.00           H  
-ATOM     98  HD2 PRO A   8       9.672   8.885   3.066  1.00  0.00           H  
-ATOM     99  HD3 PRO A   8      10.868   9.235   1.799  1.00  0.00           H  
-ATOM    100  N   ARG A   9       8.836   5.500   3.218  1.00  0.00           N  
-ATOM    101  CA  ARG A   9       8.038   4.543   4.023  1.00  0.00           C  
-ATOM    102  C   ARG A   9       7.016   3.835   3.142  1.00  0.00           C  
-ATOM    103  O   ARG A   9       6.469   2.812   3.504  1.00  0.00           O  
-ATOM    104  CB  ARG A   9       7.347   5.407   5.076  1.00  0.00           C  
-ATOM    105  CG  ARG A   9       6.649   6.590   4.401  1.00  0.00           C  
-ATOM    106  CD  ARG A   9       7.413   7.880   4.712  1.00  0.00           C  
-ATOM    107  NE  ARG A   9       6.429   8.749   5.416  1.00  0.00           N  
-ATOM    108  CZ  ARG A   9       6.311   8.682   6.714  1.00  0.00           C  
-ATOM    109  NH1 ARG A   9       7.361   8.829   7.474  1.00  0.00           N  
-ATOM    110  NH2 ARG A   9       5.141   8.468   7.252  1.00  0.00           N  
-ATOM    111  H   ARG A   9       8.556   6.433   3.161  1.00  0.00           H  
-ATOM    112  HA  ARG A   9       8.681   3.824   4.493  1.00  0.00           H  
-ATOM    113  HB2 ARG A   9       6.620   4.816   5.593  1.00  0.00           H  
-ATOM    114  HB3 ARG A   9       8.080   5.776   5.777  1.00  0.00           H  
-ATOM    115  HG2 ARG A   9       6.627   6.433   3.332  1.00  0.00           H  
-ATOM    116  HG3 ARG A   9       5.641   6.673   4.773  1.00  0.00           H  
-ATOM    117  HD2 ARG A   9       8.259   7.669   5.353  1.00  0.00           H  
-ATOM    118  HD3 ARG A   9       7.739   8.354   3.799  1.00  0.00           H  
-ATOM    119  HE  ARG A   9       5.872   9.371   4.904  1.00  0.00           H  
-ATOM    120 HH11 ARG A   9       8.258   8.995   7.062  1.00  0.00           H  
-ATOM    121 HH12 ARG A   9       7.270   8.777   8.469  1.00  0.00           H  
-ATOM    122 HH21 ARG A   9       4.336   8.355   6.670  1.00  0.00           H  
-ATOM    123 HH22 ARG A   9       5.050   8.417   8.246  1.00  0.00           H  
-ATOM    124  N   LEU A  10       6.768   4.360   1.981  1.00  0.00           N  
-ATOM    125  CA  LEU A  10       5.795   3.701   1.069  1.00  0.00           C  
-ATOM    126  C   LEU A  10       6.446   2.445   0.492  1.00  0.00           C  
-ATOM    127  O   LEU A  10       5.842   1.397   0.424  1.00  0.00           O  
-ATOM    128  CB  LEU A  10       5.485   4.742  -0.020  1.00  0.00           C  
-ATOM    129  CG  LEU A  10       5.233   4.056  -1.368  1.00  0.00           C  
-ATOM    130  CD1 LEU A  10       4.112   4.784  -2.110  1.00  0.00           C  
-ATOM    131  CD2 LEU A  10       6.512   4.102  -2.210  1.00  0.00           C  
-ATOM    132  H   LEU A  10       7.232   5.175   1.706  1.00  0.00           H  
-ATOM    133  HA  LEU A  10       4.894   3.445   1.605  1.00  0.00           H  
-ATOM    134  HB2 LEU A  10       4.602   5.299   0.264  1.00  0.00           H  
-ATOM    135  HB3 LEU A  10       6.321   5.421  -0.114  1.00  0.00           H  
-ATOM    136  HG  LEU A  10       4.946   3.029  -1.202  1.00  0.00           H  
-ATOM    137 HD11 LEU A  10       3.328   5.042  -1.415  1.00  0.00           H  
-ATOM    138 HD12 LEU A  10       3.713   4.141  -2.881  1.00  0.00           H  
-ATOM    139 HD13 LEU A  10       4.504   5.685  -2.561  1.00  0.00           H  
-ATOM    140 HD21 LEU A  10       7.137   4.915  -1.871  1.00  0.00           H  
-ATOM    141 HD22 LEU A  10       6.255   4.254  -3.247  1.00  0.00           H  
-ATOM    142 HD23 LEU A  10       7.046   3.170  -2.104  1.00  0.00           H  
-ATOM    143  N   ILE A  11       7.687   2.543   0.099  1.00  0.00           N  
-ATOM    144  CA  ILE A  11       8.383   1.351  -0.450  1.00  0.00           C  
-ATOM    145  C   ILE A  11       8.330   0.224   0.587  1.00  0.00           C  
-ATOM    146  O   ILE A  11       8.054  -0.915   0.263  1.00  0.00           O  
-ATOM    147  CB  ILE A  11       9.820   1.833  -0.730  1.00  0.00           C  
-ATOM    148  CG1 ILE A  11      10.050   1.879  -2.245  1.00  0.00           C  
-ATOM    149  CG2 ILE A  11      10.853   0.896  -0.095  1.00  0.00           C  
-ATOM    150  CD1 ILE A  11       9.820   0.489  -2.840  1.00  0.00           C  
-ATOM    151  H   ILE A  11       8.165   3.394   0.179  1.00  0.00           H  
-ATOM    152  HA  ILE A  11       7.911   1.035  -1.368  1.00  0.00           H  
-ATOM    153  HB  ILE A  11       9.946   2.826  -0.324  1.00  0.00           H  
-ATOM    154 HG12 ILE A  11       9.361   2.581  -2.692  1.00  0.00           H  
-ATOM    155 HG13 ILE A  11      11.064   2.192  -2.446  1.00  0.00           H  
-ATOM    156 HG21 ILE A  11      10.809   0.991   0.979  1.00  0.00           H  
-ATOM    157 HG22 ILE A  11      11.841   1.161  -0.439  1.00  0.00           H  
-ATOM    158 HG23 ILE A  11      10.635  -0.124  -0.375  1.00  0.00           H  
-ATOM    159 HD11 ILE A  11      10.560   0.298  -3.605  1.00  0.00           H  
-ATOM    160 HD12 ILE A  11       8.833   0.442  -3.275  1.00  0.00           H  
-ATOM    161 HD13 ILE A  11       9.907  -0.255  -2.062  1.00  0.00           H  
-ATOM    162  N   GLU A  12       8.577   0.532   1.834  1.00  0.00           N  
-ATOM    163  CA  GLU A  12       8.520  -0.527   2.869  1.00  0.00           C  
-ATOM    164  C   GLU A  12       7.176  -1.242   2.781  1.00  0.00           C  
-ATOM    165  O   GLU A  12       7.106  -2.426   2.519  1.00  0.00           O  
-ATOM    166  CB  GLU A  12       8.666   0.194   4.198  1.00  0.00           C  
-ATOM    167  CG  GLU A  12       9.880  -0.355   4.951  1.00  0.00           C  
-ATOM    168  CD  GLU A  12      10.464   0.741   5.844  1.00  0.00           C  
-ATOM    169  OE1 GLU A  12      10.246   1.902   5.542  1.00  0.00           O  
-ATOM    170  OE2 GLU A  12      11.121   0.400   6.813  1.00  0.00           O  
-ATOM    171  H   GLU A  12       8.789   1.454   2.086  1.00  0.00           H  
-ATOM    172  HA  GLU A  12       9.322  -1.216   2.741  1.00  0.00           H  
-ATOM    173  HB2 GLU A  12       8.798   1.246   4.017  1.00  0.00           H  
-ATOM    174  HB3 GLU A  12       7.781   0.035   4.785  1.00  0.00           H  
-ATOM    175  HG2 GLU A  12       9.576  -1.193   5.561  1.00  0.00           H  
-ATOM    176  HG3 GLU A  12      10.628  -0.676   4.242  1.00  0.00           H  
-ATOM    177  N   SER A  13       6.102  -0.527   2.977  1.00  0.00           N  
-ATOM    178  CA  SER A  13       4.772  -1.161   2.880  1.00  0.00           C  
-ATOM    179  C   SER A  13       4.622  -1.786   1.494  1.00  0.00           C  
-ATOM    180  O   SER A  13       4.095  -2.871   1.346  1.00  0.00           O  
-ATOM    181  CB  SER A  13       3.778  -0.020   3.093  1.00  0.00           C  
-ATOM    182  OG  SER A  13       3.255  -0.092   4.413  1.00  0.00           O  
-ATOM    183  H   SER A  13       6.171   0.427   3.174  1.00  0.00           H  
-ATOM    184  HA  SER A  13       4.661  -1.909   3.645  1.00  0.00           H  
-ATOM    185  HB2 SER A  13       4.281   0.924   2.964  1.00  0.00           H  
-ATOM    186  HB3 SER A  13       2.978  -0.099   2.372  1.00  0.00           H  
-ATOM    187  HG  SER A  13       3.471   0.727   4.864  1.00  0.00           H  
-ATOM    188  N   LEU A  14       5.108  -1.124   0.475  1.00  0.00           N  
-ATOM    189  CA  LEU A  14       5.015  -1.710  -0.890  1.00  0.00           C  
-ATOM    190  C   LEU A  14       5.857  -2.981  -0.944  1.00  0.00           C  
-ATOM    191  O   LEU A  14       5.551  -3.914  -1.658  1.00  0.00           O  
-ATOM    192  CB  LEU A  14       5.573  -0.651  -1.833  1.00  0.00           C  
-ATOM    193  CG  LEU A  14       4.632  -0.525  -3.028  1.00  0.00           C  
-ATOM    194  CD1 LEU A  14       4.618   0.919  -3.515  1.00  0.00           C  
-ATOM    195  CD2 LEU A  14       5.111  -1.448  -4.146  1.00  0.00           C  
-ATOM    196  H   LEU A  14       5.551  -0.258   0.612  1.00  0.00           H  
-ATOM    197  HA  LEU A  14       3.992  -1.924  -1.149  1.00  0.00           H  
-ATOM    198  HB2 LEU A  14       5.639   0.296  -1.320  1.00  0.00           H  
-ATOM    199  HB3 LEU A  14       6.551  -0.949  -2.177  1.00  0.00           H  
-ATOM    200  HG  LEU A  14       3.634  -0.810  -2.727  1.00  0.00           H  
-ATOM    201 HD11 LEU A  14       4.509   0.936  -4.588  1.00  0.00           H  
-ATOM    202 HD12 LEU A  14       5.542   1.401  -3.237  1.00  0.00           H  
-ATOM    203 HD13 LEU A  14       3.789   1.439  -3.060  1.00  0.00           H  
-ATOM    204 HD21 LEU A  14       5.110  -2.468  -3.789  1.00  0.00           H  
-ATOM    205 HD22 LEU A  14       6.111  -1.169  -4.442  1.00  0.00           H  
-ATOM    206 HD23 LEU A  14       4.447  -1.364  -4.994  1.00  0.00           H  
-ATOM    207  N   SER A  15       6.916  -3.026  -0.179  1.00  0.00           N  
-ATOM    208  CA  SER A  15       7.771  -4.235  -0.173  1.00  0.00           C  
-ATOM    209  C   SER A  15       6.985  -5.421   0.384  1.00  0.00           C  
-ATOM    210  O   SER A  15       7.029  -6.511  -0.150  1.00  0.00           O  
-ATOM    211  CB  SER A  15       8.947  -3.887   0.738  1.00  0.00           C  
-ATOM    212  OG  SER A  15      10.127  -4.503   0.237  1.00  0.00           O  
-ATOM    213  H   SER A  15       7.146  -2.269   0.392  1.00  0.00           H  
-ATOM    214  HA  SER A  15       8.120  -4.445  -1.165  1.00  0.00           H  
-ATOM    215  HB2 SER A  15       9.086  -2.820   0.760  1.00  0.00           H  
-ATOM    216  HB3 SER A  15       8.741  -4.241   1.740  1.00  0.00           H  
-ATOM    217  HG  SER A  15      10.816  -3.836   0.202  1.00  0.00           H  
-ATOM    218  N   GLN A  16       6.265  -5.223   1.457  1.00  0.00           N  
-ATOM    219  CA  GLN A  16       5.488  -6.338   2.034  1.00  0.00           C  
-ATOM    220  C   GLN A  16       4.364  -6.743   1.080  1.00  0.00           C  
-ATOM    221  O   GLN A  16       3.954  -7.885   1.042  1.00  0.00           O  
-ATOM    222  CB  GLN A  16       4.958  -5.789   3.365  1.00  0.00           C  
-ATOM    223  CG  GLN A  16       3.609  -5.090   3.166  1.00  0.00           C  
-ATOM    224  CD  GLN A  16       2.476  -6.067   3.487  1.00  0.00           C  
-ATOM    225  OE1 GLN A  16       2.288  -6.445   4.626  1.00  0.00           O  
-ATOM    226  NE2 GLN A  16       1.706  -6.493   2.524  1.00  0.00           N  
-ATOM    227  H   GLN A  16       6.235  -4.346   1.885  1.00  0.00           H  
-ATOM    228  HA  GLN A  16       6.135  -7.176   2.210  1.00  0.00           H  
-ATOM    229  HB2 GLN A  16       4.842  -6.600   4.059  1.00  0.00           H  
-ATOM    230  HB3 GLN A  16       5.668  -5.079   3.763  1.00  0.00           H  
-ATOM    231  HG2 GLN A  16       3.548  -4.238   3.827  1.00  0.00           H  
-ATOM    232  HG3 GLN A  16       3.519  -4.759   2.144  1.00  0.00           H  
-ATOM    233 HE21 GLN A  16       1.857  -6.187   1.605  1.00  0.00           H  
-ATOM    234 HE22 GLN A  16       0.977  -7.117   2.720  1.00  0.00           H  
-ATOM    235  N   MET A  17       3.879  -5.827   0.290  1.00  0.00           N  
-ATOM    236  CA  MET A  17       2.811  -6.185  -0.668  1.00  0.00           C  
-ATOM    237  C   MET A  17       3.445  -6.902  -1.854  1.00  0.00           C  
-ATOM    238  O   MET A  17       2.807  -7.667  -2.549  1.00  0.00           O  
-ATOM    239  CB  MET A  17       2.200  -4.856  -1.087  1.00  0.00           C  
-ATOM    240  CG  MET A  17       1.083  -4.485  -0.118  1.00  0.00           C  
-ATOM    241  SD  MET A  17       0.283  -2.972  -0.690  1.00  0.00           S  
-ATOM    242  CE  MET A  17       1.734  -1.895  -0.609  1.00  0.00           C  
-ATOM    243  H   MET A  17       4.229  -4.912   0.313  1.00  0.00           H  
-ATOM    244  HA  MET A  17       2.068  -6.808  -0.196  1.00  0.00           H  
-ATOM    245  HB2 MET A  17       2.957  -4.091  -1.078  1.00  0.00           H  
-ATOM    246  HB3 MET A  17       1.798  -4.945  -2.077  1.00  0.00           H  
-ATOM    247  HG2 MET A  17       0.358  -5.285  -0.079  1.00  0.00           H  
-ATOM    248  HG3 MET A  17       1.497  -4.325   0.867  1.00  0.00           H  
-ATOM    249  HE1 MET A  17       1.450  -0.940  -0.188  1.00  0.00           H  
-ATOM    250  HE2 MET A  17       2.128  -1.746  -1.601  1.00  0.00           H  
-ATOM    251  HE3 MET A  17       2.491  -2.358   0.011  1.00  0.00           H  
-ATOM    252  N   LEU A  18       4.713  -6.672  -2.075  1.00  0.00           N  
-ATOM    253  CA  LEU A  18       5.401  -7.358  -3.197  1.00  0.00           C  
-ATOM    254  C   LEU A  18       5.481  -8.846  -2.885  1.00  0.00           C  
-ATOM    255  O   LEU A  18       5.490  -9.684  -3.765  1.00  0.00           O  
-ATOM    256  CB  LEU A  18       6.796  -6.737  -3.262  1.00  0.00           C  
-ATOM    257  CG  LEU A  18       7.685  -7.571  -4.185  1.00  0.00           C  
-ATOM    258  CD1 LEU A  18       8.283  -6.672  -5.269  1.00  0.00           C  
-ATOM    259  CD2 LEU A  18       8.813  -8.207  -3.370  1.00  0.00           C  
-ATOM    260  H   LEU A  18       5.213  -6.063  -1.490  1.00  0.00           H  
-ATOM    261  HA  LEU A  18       4.873  -7.196  -4.115  1.00  0.00           H  
-ATOM    262  HB2 LEU A  18       6.724  -5.729  -3.644  1.00  0.00           H  
-ATOM    263  HB3 LEU A  18       7.227  -6.717  -2.272  1.00  0.00           H  
-ATOM    264  HG  LEU A  18       7.092  -8.346  -4.649  1.00  0.00           H  
-ATOM    265 HD11 LEU A  18       9.236  -7.072  -5.583  1.00  0.00           H  
-ATOM    266 HD12 LEU A  18       8.425  -5.678  -4.871  1.00  0.00           H  
-ATOM    267 HD13 LEU A  18       7.612  -6.630  -6.113  1.00  0.00           H  
-ATOM    268 HD21 LEU A  18       9.444  -8.789  -4.023  1.00  0.00           H  
-ATOM    269 HD22 LEU A  18       8.391  -8.848  -2.610  1.00  0.00           H  
-ATOM    270 HD23 LEU A  18       9.399  -7.429  -2.901  1.00  0.00           H  
-ATOM    271  N   SER A  19       5.517  -9.174  -1.627  1.00  0.00           N  
-ATOM    272  CA  SER A  19       5.570 -10.608  -1.233  1.00  0.00           C  
-ATOM    273  C   SER A  19       4.179 -11.058  -0.793  1.00  0.00           C  
-ATOM    274  O   SER A  19       4.020 -12.033  -0.084  1.00  0.00           O  
-ATOM    275  CB  SER A  19       6.557 -10.671  -0.068  1.00  0.00           C  
-ATOM    276  OG  SER A  19       7.855 -10.323  -0.534  1.00  0.00           O  
-ATOM    277  H   SER A  19       5.492  -8.471  -0.939  1.00  0.00           H  
-ATOM    278  HA  SER A  19       5.919 -11.213  -2.054  1.00  0.00           H  
-ATOM    279  HB2 SER A  19       6.258  -9.976   0.698  1.00  0.00           H  
-ATOM    280  HB3 SER A  19       6.566 -11.673   0.341  1.00  0.00           H  
-ATOM    281  HG  SER A  19       8.439 -10.275   0.226  1.00  0.00           H  
-ATOM    282  N   MET A  20       3.170 -10.345  -1.209  1.00  0.00           N  
-ATOM    283  CA  MET A  20       1.782 -10.711  -0.823  1.00  0.00           C  
-ATOM    284  C   MET A  20       1.060 -11.382  -1.985  1.00  0.00           C  
-ATOM    285  O   MET A  20       0.661 -12.528  -1.914  1.00  0.00           O  
-ATOM    286  CB  MET A  20       1.115  -9.391  -0.472  1.00  0.00           C  
-ATOM    287  CG  MET A  20       0.810  -9.355   1.025  1.00  0.00           C  
-ATOM    288  SD  MET A  20      -0.705 -10.288   1.356  1.00  0.00           S  
-ATOM    289  CE  MET A  20       0.085 -11.783   1.997  1.00  0.00           C  
-ATOM    290  H   MET A  20       3.328  -9.562  -1.777  1.00  0.00           H  
-ATOM    291  HA  MET A  20       1.782 -11.338   0.026  1.00  0.00           H  
-ATOM    292  HB2 MET A  20       1.778  -8.584  -0.724  1.00  0.00           H  
-ATOM    293  HB3 MET A  20       0.197  -9.296  -1.027  1.00  0.00           H  
-ATOM    294  HG2 MET A  20       1.631  -9.797   1.572  1.00  0.00           H  
-ATOM    295  HG3 MET A  20       0.679  -8.332   1.341  1.00  0.00           H  
-ATOM    296  HE1 MET A  20       1.158 -11.700   1.884  1.00  0.00           H  
-ATOM    297  HE2 MET A  20      -0.265 -12.641   1.446  1.00  0.00           H  
-ATOM    298  HE3 MET A  20      -0.164 -11.902   3.042  1.00  0.00           H  
-ATOM    299  N   GLY A  21       0.870 -10.659  -3.041  1.00  0.00           N  
-ATOM    300  CA  GLY A  21       0.156 -11.206  -4.213  1.00  0.00           C  
-ATOM    301  C   GLY A  21      -1.039 -10.312  -4.454  1.00  0.00           C  
-ATOM    302  O   GLY A  21      -2.152 -10.756  -4.653  1.00  0.00           O  
-ATOM    303  H   GLY A  21       1.178  -9.743  -3.053  1.00  0.00           H  
-ATOM    304  HA2 GLY A  21       0.802 -11.206  -5.075  1.00  0.00           H  
-ATOM    305  HA3 GLY A  21      -0.173 -12.189  -3.997  1.00  0.00           H  
-ATOM    306  N   PHE A  22      -0.807  -9.043  -4.380  1.00  0.00           N  
-ATOM    307  CA  PHE A  22      -1.901  -8.070  -4.536  1.00  0.00           C  
-ATOM    308  C   PHE A  22      -2.093  -7.619  -5.975  1.00  0.00           C  
-ATOM    309  O   PHE A  22      -1.429  -8.060  -6.892  1.00  0.00           O  
-ATOM    310  CB  PHE A  22      -1.486  -6.903  -3.658  1.00  0.00           C  
-ATOM    311  CG  PHE A  22      -1.905  -7.202  -2.251  1.00  0.00           C  
-ATOM    312  CD1 PHE A  22      -3.193  -7.674  -2.005  1.00  0.00           C  
-ATOM    313  CD2 PHE A  22      -1.005  -7.021  -1.197  1.00  0.00           C  
-ATOM    314  CE1 PHE A  22      -3.590  -7.958  -0.699  1.00  0.00           C  
-ATOM    315  CE2 PHE A  22      -1.404  -7.307   0.111  1.00  0.00           C  
-ATOM    316  CZ  PHE A  22      -2.701  -7.774   0.357  1.00  0.00           C  
-ATOM    317  H   PHE A  22       0.095  -8.731  -4.178  1.00  0.00           H  
-ATOM    318  HA  PHE A  22      -2.817  -8.489  -4.159  1.00  0.00           H  
-ATOM    319  HB2 PHE A  22      -0.418  -6.768  -3.697  1.00  0.00           H  
-ATOM    320  HB3 PHE A  22      -1.973  -6.012  -3.999  1.00  0.00           H  
-ATOM    321  HD1 PHE A  22      -3.888  -7.804  -2.824  1.00  0.00           H  
-ATOM    322  HD2 PHE A  22      -0.005  -6.665  -1.392  1.00  0.00           H  
-ATOM    323  HE1 PHE A  22      -4.578  -8.326  -0.506  1.00  0.00           H  
-ATOM    324  HE2 PHE A  22      -0.714  -7.163   0.926  1.00  0.00           H  
-ATOM    325  HZ  PHE A  22      -3.020  -7.988   1.361  1.00  0.00           H  
-ATOM    326  N   SER A  23      -3.034  -6.744  -6.154  1.00  0.00           N  
-ATOM    327  CA  SER A  23      -3.359  -6.225  -7.498  1.00  0.00           C  
-ATOM    328  C   SER A  23      -2.851  -4.796  -7.678  1.00  0.00           C  
-ATOM    329  O   SER A  23      -1.956  -4.345  -6.990  1.00  0.00           O  
-ATOM    330  CB  SER A  23      -4.885  -6.236  -7.553  1.00  0.00           C  
-ATOM    331  OG  SER A  23      -5.320  -7.236  -8.466  1.00  0.00           O  
-ATOM    332  H   SER A  23      -3.540  -6.441  -5.389  1.00  0.00           H  
-ATOM    333  HA  SER A  23      -2.960  -6.870  -8.246  1.00  0.00           H  
-ATOM    334  HB2 SER A  23      -5.281  -6.449  -6.575  1.00  0.00           H  
-ATOM    335  HB3 SER A  23      -5.237  -5.264  -7.869  1.00  0.00           H  
-ATOM    336  HG  SER A  23      -5.859  -7.865  -7.982  1.00  0.00           H  
-ATOM    337  N   ASP A  24      -3.430  -4.084  -8.606  1.00  0.00           N  
-ATOM    338  CA  ASP A  24      -3.010  -2.681  -8.854  1.00  0.00           C  
-ATOM    339  C   ASP A  24      -3.918  -2.053  -9.916  1.00  0.00           C  
-ATOM    340  O   ASP A  24      -3.470  -1.304 -10.761  1.00  0.00           O  
-ATOM    341  CB  ASP A  24      -1.576  -2.787  -9.362  1.00  0.00           C  
-ATOM    342  CG  ASP A  24      -0.765  -1.591  -8.861  1.00  0.00           C  
-ATOM    343  OD1 ASP A  24      -1.279  -0.856  -8.035  1.00  0.00           O  
-ATOM    344  OD2 ASP A  24       0.358  -1.431  -9.313  1.00  0.00           O  
-ATOM    345  H   ASP A  24      -4.148  -4.476  -9.142  1.00  0.00           H  
-ATOM    346  HA  ASP A  24      -3.041  -2.108  -7.941  1.00  0.00           H  
-ATOM    347  HB2 ASP A  24      -1.134  -3.701  -8.997  1.00  0.00           H  
-ATOM    348  HB3 ASP A  24      -1.577  -2.794 -10.442  1.00  0.00           H  
-ATOM    349  N   GLU A  25      -5.193  -2.359  -9.877  1.00  0.00           N  
-ATOM    350  CA  GLU A  25      -6.140  -1.785 -10.880  1.00  0.00           C  
-ATOM    351  C   GLU A  25      -5.781  -0.332 -11.161  1.00  0.00           C  
-ATOM    352  O   GLU A  25      -5.276   0.011 -12.212  1.00  0.00           O  
-ATOM    353  CB  GLU A  25      -7.519  -1.880 -10.228  1.00  0.00           C  
-ATOM    354  CG  GLU A  25      -7.964  -3.343 -10.183  1.00  0.00           C  
-ATOM    355  CD  GLU A  25      -8.486  -3.760 -11.559  1.00  0.00           C  
-ATOM    356  OE1 GLU A  25      -9.351  -3.073 -12.077  1.00  0.00           O  
-ATOM    357  OE2 GLU A  25      -8.013  -4.761 -12.072  1.00  0.00           O  
-ATOM    358  H   GLU A  25      -5.527  -2.968  -9.185  1.00  0.00           H  
-ATOM    359  HA  GLU A  25      -6.122  -2.352 -11.785  1.00  0.00           H  
-ATOM    360  HB2 GLU A  25      -7.469  -1.487  -9.222  1.00  0.00           H  
-ATOM    361  HB3 GLU A  25      -8.230  -1.306 -10.803  1.00  0.00           H  
-ATOM    362  HG2 GLU A  25      -7.123  -3.966  -9.912  1.00  0.00           H  
-ATOM    363  HG3 GLU A  25      -8.750  -3.458  -9.452  1.00  0.00           H  
-ATOM    364  N   GLY A  26      -6.019   0.513 -10.212  1.00  0.00           N  
-ATOM    365  CA  GLY A  26      -5.678   1.951 -10.385  1.00  0.00           C  
-ATOM    366  C   GLY A  26      -4.239   2.170  -9.914  1.00  0.00           C  
-ATOM    367  O   GLY A  26      -3.918   3.172  -9.307  1.00  0.00           O  
-ATOM    368  H   GLY A  26      -6.411   0.196  -9.377  1.00  0.00           H  
-ATOM    369  HA2 GLY A  26      -5.767   2.223 -11.428  1.00  0.00           H  
-ATOM    370  HA3 GLY A  26      -6.345   2.557  -9.792  1.00  0.00           H  
-ATOM    371  N   GLY A  27      -3.373   1.230 -10.188  1.00  0.00           N  
-ATOM    372  CA  GLY A  27      -1.957   1.368  -9.758  1.00  0.00           C  
-ATOM    373  C   GLY A  27      -1.907   1.857  -8.311  1.00  0.00           C  
-ATOM    374  O   GLY A  27      -1.179   2.773  -7.985  1.00  0.00           O  
-ATOM    375  H   GLY A  27      -3.654   0.433 -10.675  1.00  0.00           H  
-ATOM    376  HA2 GLY A  27      -1.463   0.410  -9.835  1.00  0.00           H  
-ATOM    377  HA3 GLY A  27      -1.459   2.081 -10.393  1.00  0.00           H  
-ATOM    378  N   TRP A  28      -2.682   1.267  -7.437  1.00  0.00           N  
-ATOM    379  CA  TRP A  28      -2.670   1.721  -6.030  1.00  0.00           C  
-ATOM    380  C   TRP A  28      -1.498   1.117  -5.261  1.00  0.00           C  
-ATOM    381  O   TRP A  28      -1.085   1.647  -4.256  1.00  0.00           O  
-ATOM    382  CB  TRP A  28      -4.008   1.269  -5.447  1.00  0.00           C  
-ATOM    383  CG  TRP A  28      -4.159  -0.211  -5.503  1.00  0.00           C  
-ATOM    384  CD1 TRP A  28      -5.048  -0.859  -6.271  1.00  0.00           C  
-ATOM    385  CD2 TRP A  28      -3.455  -1.222  -4.756  1.00  0.00           C  
-ATOM    386  NE1 TRP A  28      -4.920  -2.222  -6.058  1.00  0.00           N  
-ATOM    387  CE2 TRP A  28      -3.947  -2.493  -5.127  1.00  0.00           C  
-ATOM    388  CE3 TRP A  28      -2.443  -1.160  -3.807  1.00  0.00           C  
-ATOM    389  CZ2 TRP A  28      -3.445  -3.662  -4.566  1.00  0.00           C  
-ATOM    390  CZ3 TRP A  28      -1.940  -2.313  -3.242  1.00  0.00           C  
-ATOM    391  CH2 TRP A  28      -2.431  -3.569  -3.612  1.00  0.00           C  
-ATOM    392  H   TRP A  28      -3.275   0.538  -7.705  1.00  0.00           H  
-ATOM    393  HA  TRP A  28      -2.613   2.797  -5.996  1.00  0.00           H  
-ATOM    394  HB2 TRP A  28      -4.076   1.589  -4.436  1.00  0.00           H  
-ATOM    395  HB3 TRP A  28      -4.798   1.714  -6.001  1.00  0.00           H  
-ATOM    396  HD1 TRP A  28      -5.737  -0.388  -6.938  1.00  0.00           H  
-ATOM    397  HE1 TRP A  28      -5.445  -2.924  -6.500  1.00  0.00           H  
-ATOM    398  HE3 TRP A  28      -2.045  -0.212  -3.507  1.00  0.00           H  
-ATOM    399  HZ2 TRP A  28      -3.835  -4.625  -4.866  1.00  0.00           H  
-ATOM    400  HZ3 TRP A  28      -1.173  -2.228  -2.516  1.00  0.00           H  
-ATOM    401  HH2 TRP A  28      -2.028  -4.459  -3.155  1.00  0.00           H  
-ATOM    402  N   LEU A  29      -0.936   0.028  -5.703  1.00  0.00           N  
-ATOM    403  CA  LEU A  29       0.211  -0.530  -4.939  1.00  0.00           C  
-ATOM    404  C   LEU A  29       1.199   0.604  -4.640  1.00  0.00           C  
-ATOM    405  O   LEU A  29       1.950   0.556  -3.687  1.00  0.00           O  
-ATOM    406  CB  LEU A  29       0.822  -1.604  -5.841  1.00  0.00           C  
-ATOM    407  CG  LEU A  29       0.489  -2.988  -5.264  1.00  0.00           C  
-ATOM    408  CD1 LEU A  29       1.207  -4.079  -6.058  1.00  0.00           C  
-ATOM    409  CD2 LEU A  29       0.943  -3.060  -3.804  1.00  0.00           C  
-ATOM    410  H   LEU A  29      -1.252  -0.408  -6.520  1.00  0.00           H  
-ATOM    411  HA  LEU A  29      -0.135  -0.974  -4.018  1.00  0.00           H  
-ATOM    412  HB2 LEU A  29       0.408  -1.518  -6.835  1.00  0.00           H  
-ATOM    413  HB3 LEU A  29       1.889  -1.477  -5.881  1.00  0.00           H  
-ATOM    414  HG  LEU A  29      -0.577  -3.151  -5.317  1.00  0.00           H  
-ATOM    415 HD11 LEU A  29       2.231  -3.789  -6.228  1.00  0.00           H  
-ATOM    416 HD12 LEU A  29       0.709  -4.222  -7.006  1.00  0.00           H  
-ATOM    417 HD13 LEU A  29       1.183  -5.005  -5.496  1.00  0.00           H  
-ATOM    418 HD21 LEU A  29       1.260  -2.082  -3.475  1.00  0.00           H  
-ATOM    419 HD22 LEU A  29       1.766  -3.755  -3.718  1.00  0.00           H  
-ATOM    420 HD23 LEU A  29       0.122  -3.399  -3.190  1.00  0.00           H  
-ATOM    421  N   THR A  30       1.173   1.643  -5.440  1.00  0.00           N  
-ATOM    422  CA  THR A  30       2.076   2.807  -5.201  1.00  0.00           C  
-ATOM    423  C   THR A  30       1.296   3.953  -4.533  1.00  0.00           C  
-ATOM    424  O   THR A  30       1.758   4.566  -3.591  1.00  0.00           O  
-ATOM    425  CB  THR A  30       2.561   3.225  -6.590  1.00  0.00           C  
-ATOM    426  OG1 THR A  30       3.536   2.299  -7.046  1.00  0.00           O  
-ATOM    427  CG2 THR A  30       3.174   4.625  -6.523  1.00  0.00           C  
-ATOM    428  H   THR A  30       0.543   1.665  -6.189  1.00  0.00           H  
-ATOM    429  HA  THR A  30       2.915   2.515  -4.589  1.00  0.00           H  
-ATOM    430  HB  THR A  30       1.727   3.235  -7.275  1.00  0.00           H  
-ATOM    431  HG1 THR A  30       3.243   1.417  -6.806  1.00  0.00           H  
-ATOM    432 HG21 THR A  30       4.146   4.615  -6.996  1.00  0.00           H  
-ATOM    433 HG22 THR A  30       3.281   4.922  -5.490  1.00  0.00           H  
-ATOM    434 HG23 THR A  30       2.531   5.325  -7.035  1.00  0.00           H  
-ATOM    435  N   ARG A  31       0.117   4.248  -5.024  1.00  0.00           N  
-ATOM    436  CA  ARG A  31      -0.700   5.356  -4.432  1.00  0.00           C  
-ATOM    437  C   ARG A  31      -1.509   4.851  -3.236  1.00  0.00           C  
-ATOM    438  O   ARG A  31      -1.744   5.581  -2.294  1.00  0.00           O  
-ATOM    439  CB  ARG A  31      -1.632   5.802  -5.562  1.00  0.00           C  
-ATOM    440  CG  ARG A  31      -2.742   6.689  -4.994  1.00  0.00           C  
-ATOM    441  CD  ARG A  31      -4.103   6.045  -5.276  1.00  0.00           C  
-ATOM    442  NE  ARG A  31      -5.064   7.182  -5.323  1.00  0.00           N  
-ATOM    443  CZ  ARG A  31      -5.353   7.746  -6.464  1.00  0.00           C  
-ATOM    444  NH1 ARG A  31      -6.098   7.118  -7.332  1.00  0.00           N  
-ATOM    445  NH2 ARG A  31      -4.897   8.938  -6.736  1.00  0.00           N  
-ATOM    446  H   ARG A  31      -0.231   3.741  -5.787  1.00  0.00           H  
-ATOM    447  HA  ARG A  31      -0.068   6.182  -4.130  1.00  0.00           H  
-ATOM    448  HB2 ARG A  31      -1.066   6.358  -6.295  1.00  0.00           H  
-ATOM    449  HB3 ARG A  31      -2.071   4.933  -6.029  1.00  0.00           H  
-ATOM    450  HG2 ARG A  31      -2.608   6.797  -3.928  1.00  0.00           H  
-ATOM    451  HG3 ARG A  31      -2.702   7.660  -5.463  1.00  0.00           H  
-ATOM    452  HD2 ARG A  31      -4.082   5.527  -6.226  1.00  0.00           H  
-ATOM    453  HD3 ARG A  31      -4.370   5.366  -4.482  1.00  0.00           H  
-ATOM    454  HE  ARG A  31      -5.480   7.506  -4.497  1.00  0.00           H  
-ATOM    455 HH11 ARG A  31      -6.448   6.205  -7.124  1.00  0.00           H  
-ATOM    456 HH12 ARG A  31      -6.318   7.550  -8.208  1.00  0.00           H  
-ATOM    457 HH21 ARG A  31      -4.326   9.419  -6.070  1.00  0.00           H  
-ATOM    458 HH22 ARG A  31      -5.119   9.371  -7.610  1.00  0.00           H  
-ATOM    459  N   LEU A  32      -1.935   3.611  -3.260  1.00  0.00           N  
-ATOM    460  CA  LEU A  32      -2.718   3.067  -2.110  1.00  0.00           C  
-ATOM    461  C   LEU A  32      -2.101   3.580  -0.811  1.00  0.00           C  
-ATOM    462  O   LEU A  32      -2.703   4.330  -0.078  1.00  0.00           O  
-ATOM    463  CB  LEU A  32      -2.568   1.554  -2.176  1.00  0.00           C  
-ATOM    464  CG  LEU A  32      -3.183   0.923  -0.925  1.00  0.00           C  
-ATOM    465  CD1 LEU A  32      -4.648   0.579  -1.194  1.00  0.00           C  
-ATOM    466  CD2 LEU A  32      -2.417  -0.353  -0.572  1.00  0.00           C  
-ATOM    467  H   LEU A  32      -1.732   3.041  -4.027  1.00  0.00           H  
-ATOM    468  HA  LEU A  32      -3.761   3.338  -2.201  1.00  0.00           H  
-ATOM    469  HB2 LEU A  32      -3.077   1.184  -3.049  1.00  0.00           H  
-ATOM    470  HB3 LEU A  32      -1.522   1.296  -2.230  1.00  0.00           H  
-ATOM    471  HG  LEU A  32      -3.123   1.620  -0.102  1.00  0.00           H  
-ATOM    472 HD11 LEU A  32      -4.957  -0.219  -0.536  1.00  0.00           H  
-ATOM    473 HD12 LEU A  32      -4.761   0.265  -2.221  1.00  0.00           H  
-ATOM    474 HD13 LEU A  32      -5.259   1.451  -1.015  1.00  0.00           H  
-ATOM    475 HD21 LEU A  32      -3.092  -1.063  -0.117  1.00  0.00           H  
-ATOM    476 HD22 LEU A  32      -1.624  -0.117   0.122  1.00  0.00           H  
-ATOM    477 HD23 LEU A  32      -1.996  -0.781  -1.469  1.00  0.00           H  
-ATOM    478  N   LEU A  33      -0.876   3.195  -0.550  1.00  0.00           N  
-ATOM    479  CA  LEU A  33      -0.178   3.674   0.674  1.00  0.00           C  
-ATOM    480  C   LEU A  33      -0.475   5.159   0.852  1.00  0.00           C  
-ATOM    481  O   LEU A  33      -0.966   5.599   1.873  1.00  0.00           O  
-ATOM    482  CB  LEU A  33       1.309   3.467   0.364  1.00  0.00           C  
-ATOM    483  CG  LEU A  33       1.916   2.400   1.280  1.00  0.00           C  
-ATOM    484  CD1 LEU A  33       0.925   1.252   1.486  1.00  0.00           C  
-ATOM    485  CD2 LEU A  33       3.187   1.851   0.631  1.00  0.00           C  
-ATOM    486  H   LEU A  33      -0.405   2.609  -1.177  1.00  0.00           H  
-ATOM    487  HA  LEU A  33      -0.472   3.108   1.542  1.00  0.00           H  
-ATOM    488  HB2 LEU A  33       1.415   3.154  -0.664  1.00  0.00           H  
-ATOM    489  HB3 LEU A  33       1.833   4.399   0.507  1.00  0.00           H  
-ATOM    490  HG  LEU A  33       2.162   2.840   2.234  1.00  0.00           H  
-ATOM    491 HD11 LEU A  33       1.432   0.311   1.336  1.00  0.00           H  
-ATOM    492 HD12 LEU A  33       0.116   1.344   0.775  1.00  0.00           H  
-ATOM    493 HD13 LEU A  33       0.531   1.294   2.490  1.00  0.00           H  
-ATOM    494 HD21 LEU A  33       3.471   2.485  -0.196  1.00  0.00           H  
-ATOM    495 HD22 LEU A  33       3.004   0.850   0.269  1.00  0.00           H  
-ATOM    496 HD23 LEU A  33       3.984   1.831   1.358  1.00  0.00           H  
-ATOM    497  N   GLN A  34      -0.184   5.924  -0.157  1.00  0.00           N  
-ATOM    498  CA  GLN A  34      -0.441   7.377  -0.109  1.00  0.00           C  
-ATOM    499  C   GLN A  34      -1.914   7.647   0.225  1.00  0.00           C  
-ATOM    500  O   GLN A  34      -2.233   8.525   1.002  1.00  0.00           O  
-ATOM    501  CB  GLN A  34      -0.099   7.838  -1.522  1.00  0.00           C  
-ATOM    502  CG  GLN A  34       1.347   8.328  -1.562  1.00  0.00           C  
-ATOM    503  CD  GLN A  34       1.434   9.612  -2.390  1.00  0.00           C  
-ATOM    504  OE1 GLN A  34       1.078  10.676  -1.924  1.00  0.00           O  
-ATOM    505  NE2 GLN A  34       1.897   9.556  -3.610  1.00  0.00           N  
-ATOM    506  H   GLN A  34       0.204   5.538  -0.964  1.00  0.00           H  
-ATOM    507  HA  GLN A  34       0.210   7.851   0.602  1.00  0.00           H  
-ATOM    508  HB2 GLN A  34      -0.214   7.009  -2.206  1.00  0.00           H  
-ATOM    509  HB3 GLN A  34      -0.758   8.630  -1.812  1.00  0.00           H  
-ATOM    510  HG2 GLN A  34       1.686   8.521  -0.556  1.00  0.00           H  
-ATOM    511  HG3 GLN A  34       1.972   7.570  -2.012  1.00  0.00           H  
-ATOM    512 HE21 GLN A  34       2.184   8.697  -3.985  1.00  0.00           H  
-ATOM    513 HE22 GLN A  34       1.958  10.370  -4.150  1.00  0.00           H  
-ATOM    514  N   THR A  35      -2.813   6.898  -0.359  1.00  0.00           N  
-ATOM    515  CA  THR A  35      -4.259   7.107  -0.084  1.00  0.00           C  
-ATOM    516  C   THR A  35      -4.657   6.457   1.245  1.00  0.00           C  
-ATOM    517  O   THR A  35      -5.284   7.068   2.086  1.00  0.00           O  
-ATOM    518  CB  THR A  35      -4.992   6.435  -1.243  1.00  0.00           C  
-ATOM    519  OG1 THR A  35      -4.051   5.876  -2.149  1.00  0.00           O  
-ATOM    520  CG2 THR A  35      -5.855   7.466  -1.972  1.00  0.00           C  
-ATOM    521  H   THR A  35      -2.539   6.202  -0.982  1.00  0.00           H  
-ATOM    522  HA  THR A  35      -4.484   8.148  -0.074  1.00  0.00           H  
-ATOM    523  HB  THR A  35      -5.623   5.659  -0.854  1.00  0.00           H  
-ATOM    524  HG1 THR A  35      -4.449   5.097  -2.546  1.00  0.00           H  
-ATOM    525 HG21 THR A  35      -6.648   7.797  -1.318  1.00  0.00           H  
-ATOM    526 HG22 THR A  35      -6.281   7.016  -2.856  1.00  0.00           H  
-ATOM    527 HG23 THR A  35      -5.244   8.310  -2.255  1.00  0.00           H  
-ATOM    528  N   LYS A  36      -4.297   5.217   1.434  1.00  0.00           N  
-ATOM    529  CA  LYS A  36      -4.647   4.514   2.698  1.00  0.00           C  
-ATOM    530  C   LYS A  36      -3.567   4.763   3.751  1.00  0.00           C  
-ATOM    531  O   LYS A  36      -3.192   3.876   4.486  1.00  0.00           O  
-ATOM    532  CB  LYS A  36      -4.699   3.031   2.325  1.00  0.00           C  
-ATOM    533  CG  LYS A  36      -5.837   2.352   3.088  1.00  0.00           C  
-ATOM    534  CD  LYS A  36      -7.032   2.156   2.155  1.00  0.00           C  
-ATOM    535  CE  LYS A  36      -8.313   2.037   2.983  1.00  0.00           C  
-ATOM    536  NZ  LYS A  36      -9.095   0.954   2.326  1.00  0.00           N  
-ATOM    537  H   LYS A  36      -3.791   4.748   0.740  1.00  0.00           H  
-ATOM    538  HA  LYS A  36      -5.610   4.838   3.058  1.00  0.00           H  
-ATOM    539  HB2 LYS A  36      -4.869   2.935   1.262  1.00  0.00           H  
-ATOM    540  HB3 LYS A  36      -3.762   2.561   2.584  1.00  0.00           H  
-ATOM    541  HG2 LYS A  36      -5.501   1.392   3.452  1.00  0.00           H  
-ATOM    542  HG3 LYS A  36      -6.131   2.971   3.923  1.00  0.00           H  
-ATOM    543  HD2 LYS A  36      -7.110   3.003   1.489  1.00  0.00           H  
-ATOM    544  HD3 LYS A  36      -6.895   1.255   1.577  1.00  0.00           H  
-ATOM    545  HE2 LYS A  36      -8.077   1.769   4.004  1.00  0.00           H  
-ATOM    546  HE3 LYS A  36      -8.868   2.962   2.954  1.00  0.00           H  
-ATOM    547  HZ1 LYS A  36      -8.506   0.102   2.242  1.00  0.00           H  
-ATOM    548  HZ2 LYS A  36      -9.393   1.266   1.379  1.00  0.00           H  
-ATOM    549  HZ3 LYS A  36      -9.934   0.735   2.899  1.00  0.00           H  
-ATOM    550  N   ASN A  37      -3.077   5.967   3.823  1.00  0.00           N  
-ATOM    551  CA  ASN A  37      -2.025   6.312   4.825  1.00  0.00           C  
-ATOM    552  C   ASN A  37      -1.072   5.136   5.086  1.00  0.00           C  
-ATOM    553  O   ASN A  37      -0.802   4.791   6.219  1.00  0.00           O  
-ATOM    554  CB  ASN A  37      -2.798   6.660   6.096  1.00  0.00           C  
-ATOM    555  CG  ASN A  37      -1.814   7.074   7.191  1.00  0.00           C  
-ATOM    556  OD1 ASN A  37      -1.695   6.409   8.201  1.00  0.00           O  
-ATOM    557  ND2 ASN A  37      -1.098   8.153   7.032  1.00  0.00           N  
-ATOM    558  H   ASN A  37      -3.408   6.660   3.215  1.00  0.00           H  
-ATOM    559  HA  ASN A  37      -1.469   7.172   4.495  1.00  0.00           H  
-ATOM    560  HB2 ASN A  37      -3.477   7.475   5.892  1.00  0.00           H  
-ATOM    561  HB3 ASN A  37      -3.357   5.798   6.424  1.00  0.00           H  
-ATOM    562 HD21 ASN A  37      -1.193   8.689   6.217  1.00  0.00           H  
-ATOM    563 HD22 ASN A  37      -0.464   8.427   7.727  1.00  0.00           H  
-ATOM    564  N   TYR A  38      -0.536   4.538   4.054  1.00  0.00           N  
-ATOM    565  CA  TYR A  38       0.422   3.415   4.266  1.00  0.00           C  
-ATOM    566  C   TYR A  38      -0.183   2.377   5.213  1.00  0.00           C  
-ATOM    567  O   TYR A  38       0.512   1.581   5.814  1.00  0.00           O  
-ATOM    568  CB  TYR A  38       1.653   4.083   4.882  1.00  0.00           C  
-ATOM    569  CG  TYR A  38       2.224   5.079   3.894  1.00  0.00           C  
-ATOM    570  CD1 TYR A  38       1.462   6.182   3.473  1.00  0.00           C  
-ATOM    571  CD2 TYR A  38       3.513   4.894   3.386  1.00  0.00           C  
-ATOM    572  CE1 TYR A  38       1.986   7.085   2.556  1.00  0.00           C  
-ATOM    573  CE2 TYR A  38       4.037   5.805   2.464  1.00  0.00           C  
-ATOM    574  CZ  TYR A  38       3.274   6.900   2.047  1.00  0.00           C  
-ATOM    575  OH  TYR A  38       3.793   7.798   1.137  1.00  0.00           O  
-ATOM    576  H   TYR A  38      -0.740   4.842   3.145  1.00  0.00           H  
-ATOM    577  HA  TYR A  38       0.684   2.959   3.325  1.00  0.00           H  
-ATOM    578  HB2 TYR A  38       1.370   4.594   5.789  1.00  0.00           H  
-ATOM    579  HB3 TYR A  38       2.396   3.333   5.106  1.00  0.00           H  
-ATOM    580  HD1 TYR A  38       0.472   6.343   3.859  1.00  0.00           H  
-ATOM    581  HD2 TYR A  38       4.105   4.049   3.704  1.00  0.00           H  
-ATOM    582  HE1 TYR A  38       1.390   7.921   2.237  1.00  0.00           H  
-ATOM    583  HE2 TYR A  38       5.029   5.662   2.072  1.00  0.00           H  
-ATOM    584  HH  TYR A  38       3.789   8.668   1.544  1.00  0.00           H  
-ATOM    585  N   ASP A  39      -1.479   2.379   5.334  1.00  0.00           N  
-ATOM    586  CA  ASP A  39      -2.162   1.390   6.229  1.00  0.00           C  
-ATOM    587  C   ASP A  39      -2.376   0.067   5.489  1.00  0.00           C  
-ATOM    588  O   ASP A  39      -3.402  -0.565   5.631  1.00  0.00           O  
-ATOM    589  CB  ASP A  39      -3.506   2.033   6.579  1.00  0.00           C  
-ATOM    590  CG  ASP A  39      -3.783   1.863   8.073  1.00  0.00           C  
-ATOM    591  OD1 ASP A  39      -2.900   1.391   8.770  1.00  0.00           O  
-ATOM    592  OD2 ASP A  39      -4.874   2.208   8.497  1.00  0.00           O  
-ATOM    593  H   ASP A  39      -2.008   3.033   4.827  1.00  0.00           H  
-ATOM    594  HA  ASP A  39      -1.599   1.224   7.130  1.00  0.00           H  
-ATOM    595  HB2 ASP A  39      -3.475   3.085   6.342  1.00  0.00           H  
-ATOM    596  HB3 ASP A  39      -4.293   1.559   6.011  1.00  0.00           H  
-ATOM    597  N   ILE A  40      -1.426  -0.365   4.693  1.00  0.00           N  
-ATOM    598  CA  ILE A  40      -1.633  -1.653   3.960  1.00  0.00           C  
-ATOM    599  C   ILE A  40      -2.131  -2.726   4.917  1.00  0.00           C  
-ATOM    600  O   ILE A  40      -2.739  -3.679   4.504  1.00  0.00           O  
-ATOM    601  CB  ILE A  40      -0.301  -2.086   3.339  1.00  0.00           C  
-ATOM    602  CG1 ILE A  40       0.891  -1.517   4.108  1.00  0.00           C  
-ATOM    603  CG2 ILE A  40      -0.250  -1.611   1.891  1.00  0.00           C  
-ATOM    604  CD1 ILE A  40       2.146  -2.304   3.720  1.00  0.00           C  
-ATOM    605  H   ILE A  40      -0.603   0.153   4.575  1.00  0.00           H  
-ATOM    606  HA  ILE A  40      -2.360  -1.506   3.176  1.00  0.00           H  
-ATOM    607  HB  ILE A  40      -0.248  -3.166   3.351  1.00  0.00           H  
-ATOM    608 HG12 ILE A  40       1.021  -0.474   3.855  1.00  0.00           H  
-ATOM    609 HG13 ILE A  40       0.720  -1.615   5.170  1.00  0.00           H  
-ATOM    610 HG21 ILE A  40       0.743  -1.764   1.496  1.00  0.00           H  
-ATOM    611 HG22 ILE A  40      -0.501  -0.562   1.847  1.00  0.00           H  
-ATOM    612 HG23 ILE A  40      -0.962  -2.175   1.306  1.00  0.00           H  
-ATOM    613 HD11 ILE A  40       1.902  -3.354   3.648  1.00  0.00           H  
-ATOM    614 HD12 ILE A  40       2.909  -2.161   4.468  1.00  0.00           H  
-ATOM    615 HD13 ILE A  40       2.507  -1.954   2.763  1.00  0.00           H  
-ATOM    616  N   GLY A  41      -1.905  -2.580   6.191  1.00  0.00           N  
-ATOM    617  CA  GLY A  41      -2.425  -3.610   7.132  1.00  0.00           C  
-ATOM    618  C   GLY A  41      -3.939  -3.467   7.133  1.00  0.00           C  
-ATOM    619  O   GLY A  41      -4.676  -4.415   6.945  1.00  0.00           O  
-ATOM    620  H   GLY A  41      -1.423  -1.796   6.527  1.00  0.00           H  
-ATOM    621  HA2 GLY A  41      -2.149  -4.594   6.781  1.00  0.00           H  
-ATOM    622  HA3 GLY A  41      -2.040  -3.442   8.124  1.00  0.00           H  
-ATOM    623  N   ALA A  42      -4.399  -2.261   7.294  1.00  0.00           N  
-ATOM    624  CA  ALA A  42      -5.850  -1.992   7.253  1.00  0.00           C  
-ATOM    625  C   ALA A  42      -6.288  -2.077   5.801  1.00  0.00           C  
-ATOM    626  O   ALA A  42      -7.320  -2.628   5.476  1.00  0.00           O  
-ATOM    627  CB  ALA A  42      -5.980  -0.566   7.789  1.00  0.00           C  
-ATOM    628  H   ALA A  42      -3.781  -1.520   7.408  1.00  0.00           H  
-ATOM    629  HA  ALA A  42      -6.395  -2.692   7.859  1.00  0.00           H  
-ATOM    630  HB1 ALA A  42      -6.737  -0.038   7.229  1.00  0.00           H  
-ATOM    631  HB2 ALA A  42      -5.025  -0.054   7.682  1.00  0.00           H  
-ATOM    632  HB3 ALA A  42      -6.256  -0.597   8.833  1.00  0.00           H  
-ATOM    633  N   ALA A  43      -5.475  -1.569   4.920  1.00  0.00           N  
-ATOM    634  CA  ALA A  43      -5.804  -1.655   3.482  1.00  0.00           C  
-ATOM    635  C   ALA A  43      -5.770  -3.126   3.083  1.00  0.00           C  
-ATOM    636  O   ALA A  43      -6.497  -3.559   2.221  1.00  0.00           O  
-ATOM    637  CB  ALA A  43      -4.704  -0.869   2.766  1.00  0.00           C  
-ATOM    638  H   ALA A  43      -4.633  -1.158   5.208  1.00  0.00           H  
-ATOM    639  HA  ALA A  43      -6.771  -1.222   3.281  1.00  0.00           H  
-ATOM    640  HB1 ALA A  43      -4.033  -1.557   2.272  1.00  0.00           H  
-ATOM    641  HB2 ALA A  43      -4.152  -0.284   3.487  1.00  0.00           H  
-ATOM    642  HB3 ALA A  43      -5.149  -0.212   2.034  1.00  0.00           H  
-ATOM    643  N   LEU A  44      -4.938  -3.903   3.732  1.00  0.00           N  
-ATOM    644  CA  LEU A  44      -4.871  -5.354   3.411  1.00  0.00           C  
-ATOM    645  C   LEU A  44      -6.283  -5.884   3.253  1.00  0.00           C  
-ATOM    646  O   LEU A  44      -6.589  -6.623   2.343  1.00  0.00           O  
-ATOM    647  CB  LEU A  44      -4.201  -6.010   4.617  1.00  0.00           C  
-ATOM    648  CG  LEU A  44      -3.109  -6.983   4.162  1.00  0.00           C  
-ATOM    649  CD1 LEU A  44      -3.760  -8.222   3.547  1.00  0.00           C  
-ATOM    650  CD2 LEU A  44      -2.201  -6.313   3.124  1.00  0.00           C  
-ATOM    651  H   LEU A  44      -4.368  -3.533   4.444  1.00  0.00           H  
-ATOM    652  HA  LEU A  44      -4.298  -5.528   2.528  1.00  0.00           H  
-ATOM    653  HB2 LEU A  44      -3.772  -5.254   5.253  1.00  0.00           H  
-ATOM    654  HB3 LEU A  44      -4.945  -6.552   5.165  1.00  0.00           H  
-ATOM    655  HG  LEU A  44      -2.518  -7.280   5.018  1.00  0.00           H  
-ATOM    656 HD11 LEU A  44      -4.320  -8.748   4.306  1.00  0.00           H  
-ATOM    657 HD12 LEU A  44      -2.994  -8.871   3.150  1.00  0.00           H  
-ATOM    658 HD13 LEU A  44      -4.426  -7.921   2.752  1.00  0.00           H  
-ATOM    659 HD21 LEU A  44      -1.268  -6.852   3.063  1.00  0.00           H  
-ATOM    660 HD22 LEU A  44      -2.007  -5.293   3.418  1.00  0.00           H  
-ATOM    661 HD23 LEU A  44      -2.685  -6.322   2.160  1.00  0.00           H  
-ATOM    662  N   ASP A  45      -7.149  -5.498   4.137  1.00  0.00           N  
-ATOM    663  CA  ASP A  45      -8.549  -5.967   4.054  1.00  0.00           C  
-ATOM    664  C   ASP A  45      -9.159  -5.537   2.721  1.00  0.00           C  
-ATOM    665  O   ASP A  45      -9.990  -6.217   2.153  1.00  0.00           O  
-ATOM    666  CB  ASP A  45      -9.233  -5.326   5.284  1.00  0.00           C  
-ATOM    667  CG  ASP A  45     -10.473  -4.524   4.868  1.00  0.00           C  
-ATOM    668  OD1 ASP A  45     -10.304  -3.496   4.233  1.00  0.00           O  
-ATOM    669  OD2 ASP A  45     -11.568  -4.953   5.191  1.00  0.00           O  
-ATOM    670  H   ASP A  45      -6.875  -4.895   4.859  1.00  0.00           H  
-ATOM    671  HA  ASP A  45      -8.571  -7.033   4.120  1.00  0.00           H  
-ATOM    672  HB2 ASP A  45      -9.530  -6.106   5.969  1.00  0.00           H  
-ATOM    673  HB3 ASP A  45      -8.526  -4.660   5.785  1.00  0.00           H  
-ATOM    674  N   THR A  46      -8.724  -4.435   2.208  1.00  0.00           N  
-ATOM    675  CA  THR A  46      -9.232  -3.972   0.901  1.00  0.00           C  
-ATOM    676  C   THR A  46      -8.268  -4.449  -0.185  1.00  0.00           C  
-ATOM    677  O   THR A  46      -8.628  -4.599  -1.335  1.00  0.00           O  
-ATOM    678  CB  THR A  46      -9.290  -2.433   1.008  1.00  0.00           C  
-ATOM    679  OG1 THR A  46     -10.614  -1.997   0.734  1.00  0.00           O  
-ATOM    680  CG2 THR A  46      -8.325  -1.766   0.013  1.00  0.00           C  
-ATOM    681  H   THR A  46      -8.044  -3.928   2.669  1.00  0.00           H  
-ATOM    682  HA  THR A  46     -10.208  -4.374   0.733  1.00  0.00           H  
-ATOM    683  HB  THR A  46      -9.021  -2.137   2.011  1.00  0.00           H  
-ATOM    684  HG1 THR A  46     -11.049  -1.828   1.572  1.00  0.00           H  
-ATOM    685 HG21 THR A  46      -8.595  -2.046  -0.995  1.00  0.00           H  
-ATOM    686 HG22 THR A  46      -7.316  -2.091   0.217  1.00  0.00           H  
-ATOM    687 HG23 THR A  46      -8.384  -0.693   0.117  1.00  0.00           H  
-ATOM    688  N   ILE A  47      -7.041  -4.696   0.187  1.00  0.00           N  
-ATOM    689  CA  ILE A  47      -6.046  -5.167  -0.796  1.00  0.00           C  
-ATOM    690  C   ILE A  47      -6.131  -6.693  -0.928  1.00  0.00           C  
-ATOM    691  O   ILE A  47      -5.729  -7.259  -1.923  1.00  0.00           O  
-ATOM    692  CB  ILE A  47      -4.720  -4.703  -0.234  1.00  0.00           C  
-ATOM    693  CG1 ILE A  47      -4.791  -3.193  -0.082  1.00  0.00           C  
-ATOM    694  CG2 ILE A  47      -3.588  -5.046  -1.199  1.00  0.00           C  
-ATOM    695  CD1 ILE A  47      -4.809  -2.540  -1.465  1.00  0.00           C  
-ATOM    696  H   ILE A  47      -6.774  -4.571   1.122  1.00  0.00           H  
-ATOM    697  HA  ILE A  47      -6.209  -4.689  -1.743  1.00  0.00           H  
-ATOM    698  HB  ILE A  47      -4.541  -5.162   0.726  1.00  0.00           H  
-ATOM    699 HG12 ILE A  47      -5.685  -2.925   0.453  1.00  0.00           H  
-ATOM    700 HG13 ILE A  47      -3.940  -2.859   0.455  1.00  0.00           H  
-ATOM    701 HG21 ILE A  47      -3.058  -4.144  -1.459  1.00  0.00           H  
-ATOM    702 HG22 ILE A  47      -3.998  -5.492  -2.091  1.00  0.00           H  
-ATOM    703 HG23 ILE A  47      -2.908  -5.735  -0.727  1.00  0.00           H  
-ATOM    704 HD11 ILE A  47      -3.898  -1.980  -1.612  1.00  0.00           H  
-ATOM    705 HD12 ILE A  47      -5.657  -1.875  -1.538  1.00  0.00           H  
-ATOM    706 HD13 ILE A  47      -4.887  -3.305  -2.224  1.00  0.00           H  
-ATOM    707  N   GLN A  48      -6.680  -7.375   0.053  1.00  0.00           N  
-ATOM    708  CA  GLN A  48      -6.806  -8.845  -0.081  1.00  0.00           C  
-ATOM    709  C   GLN A  48      -8.228  -9.189  -0.512  1.00  0.00           C  
-ATOM    710  O   GLN A  48      -8.538 -10.322  -0.825  1.00  0.00           O  
-ATOM    711  CB  GLN A  48      -6.473  -9.432   1.281  1.00  0.00           C  
-ATOM    712  CG  GLN A  48      -5.117 -10.142   1.207  1.00  0.00           C  
-ATOM    713  CD  GLN A  48      -5.144 -11.182   0.084  1.00  0.00           C  
-ATOM    714  OE1 GLN A  48      -6.048 -11.990   0.013  1.00  0.00           O  
-ATOM    715  NE2 GLN A  48      -4.184 -11.200  -0.808  1.00  0.00           N  
-ATOM    716  H   GLN A  48      -7.027  -6.927   0.853  1.00  0.00           H  
-ATOM    717  HA  GLN A  48      -6.113  -9.197  -0.798  1.00  0.00           H  
-ATOM    718  HB2 GLN A  48      -6.427  -8.643   2.004  1.00  0.00           H  
-ATOM    719  HB3 GLN A  48      -7.234 -10.141   1.562  1.00  0.00           H  
-ATOM    720  HG2 GLN A  48      -4.342  -9.416   1.010  1.00  0.00           H  
-ATOM    721  HG3 GLN A  48      -4.918 -10.636   2.147  1.00  0.00           H  
-ATOM    722 HE21 GLN A  48      -3.450 -10.551  -0.759  1.00  0.00           H  
-ATOM    723 HE22 GLN A  48      -4.200 -11.865  -1.527  1.00  0.00           H  
-ATOM    724  N   TYR A  49      -9.086  -8.202  -0.559  1.00  0.00           N  
-ATOM    725  CA  TYR A  49     -10.487  -8.437  -0.998  1.00  0.00           C  
-ATOM    726  C   TYR A  49     -11.000  -9.788  -0.487  1.00  0.00           C  
-ATOM    727  O   TYR A  49     -10.924 -10.791  -1.168  1.00  0.00           O  
-ATOM    728  CB  TYR A  49     -10.396  -8.432  -2.522  1.00  0.00           C  
-ATOM    729  CG  TYR A  49      -9.654  -7.196  -2.986  1.00  0.00           C  
-ATOM    730  CD1 TYR A  49      -8.256  -7.128  -2.874  1.00  0.00           C  
-ATOM    731  CD2 TYR A  49     -10.363  -6.120  -3.534  1.00  0.00           C  
-ATOM    732  CE1 TYR A  49      -7.570  -5.983  -3.311  1.00  0.00           C  
-ATOM    733  CE2 TYR A  49      -9.679  -4.978  -3.969  1.00  0.00           C  
-ATOM    734  CZ  TYR A  49      -8.285  -4.909  -3.858  1.00  0.00           C  
-ATOM    735  OH  TYR A  49      -7.613  -3.783  -4.288  1.00  0.00           O  
-ATOM    736  H   TYR A  49      -8.800  -7.296  -0.322  1.00  0.00           H  
-ATOM    737  HA  TYR A  49     -11.128  -7.636  -0.666  1.00  0.00           H  
-ATOM    738  HB2 TYR A  49      -9.860  -9.309  -2.845  1.00  0.00           H  
-ATOM    739  HB3 TYR A  49     -11.389  -8.436  -2.945  1.00  0.00           H  
-ATOM    740  HD1 TYR A  49      -7.708  -7.956  -2.451  1.00  0.00           H  
-ATOM    741  HD2 TYR A  49     -11.439  -6.170  -3.620  1.00  0.00           H  
-ATOM    742  HE1 TYR A  49      -6.490  -5.928  -3.226  1.00  0.00           H  
-ATOM    743  HE2 TYR A  49     -10.227  -4.149  -4.392  1.00  0.00           H  
-ATOM    744  HH  TYR A  49      -6.990  -3.529  -3.605  1.00  0.00           H  
-ATOM    745  N   SER A  50     -11.523  -9.822   0.709  1.00  0.00           N  
-ATOM    746  CA  SER A  50     -12.042 -11.108   1.260  1.00  0.00           C  
-ATOM    747  C   SER A  50     -13.558 -11.026   1.453  1.00  0.00           C  
-ATOM    748  O   SER A  50     -14.142 -11.795   2.191  1.00  0.00           O  
-ATOM    749  CB  SER A  50     -11.340 -11.273   2.607  1.00  0.00           C  
-ATOM    750  OG  SER A  50     -11.339 -12.648   2.970  1.00  0.00           O  
-ATOM    751  H   SER A  50     -11.577  -9.003   1.243  1.00  0.00           H  
-ATOM    752  HA  SER A  50     -11.786 -11.927   0.608  1.00  0.00           H  
-ATOM    753  HB2 SER A  50     -10.323 -10.927   2.531  1.00  0.00           H  
-ATOM    754  HB3 SER A  50     -11.861 -10.693   3.357  1.00  0.00           H  
-ATOM    755  HG  SER A  50     -11.205 -13.166   2.173  1.00  0.00           H  
-ATOM    756  N   LYS A  51     -14.200 -10.099   0.796  1.00  0.00           N  
-ATOM    757  CA  LYS A  51     -15.678  -9.968   0.941  1.00  0.00           C  
-ATOM    758  C   LYS A  51     -16.388 -10.646  -0.234  1.00  0.00           C  
-ATOM    759  O   LYS A  51     -15.804 -10.872  -1.276  1.00  0.00           O  
-ATOM    760  CB  LYS A  51     -15.942  -8.462   0.933  1.00  0.00           C  
-ATOM    761  CG  LYS A  51     -15.138  -7.796   2.051  1.00  0.00           C  
-ATOM    762  CD  LYS A  51     -14.140  -6.808   1.443  1.00  0.00           C  
-ATOM    763  CE  LYS A  51     -13.986  -5.599   2.369  1.00  0.00           C  
-ATOM    764  NZ  LYS A  51     -13.008  -6.031   3.407  1.00  0.00           N  
-ATOM    765  H   LYS A  51     -13.710  -9.488   0.207  1.00  0.00           H  
-ATOM    766  HA  LYS A  51     -16.005 -10.395   1.877  1.00  0.00           H  
-ATOM    767  HB2 LYS A  51     -15.646  -8.050  -0.020  1.00  0.00           H  
-ATOM    768  HB3 LYS A  51     -16.996  -8.281   1.092  1.00  0.00           H  
-ATOM    769  HG2 LYS A  51     -15.811  -7.268   2.713  1.00  0.00           H  
-ATOM    770  HG3 LYS A  51     -14.602  -8.549   2.608  1.00  0.00           H  
-ATOM    771  HD2 LYS A  51     -13.183  -7.294   1.323  1.00  0.00           H  
-ATOM    772  HD3 LYS A  51     -14.500  -6.478   0.481  1.00  0.00           H  
-ATOM    773  HE2 LYS A  51     -13.604  -4.751   1.818  1.00  0.00           H  
-ATOM    774  HE3 LYS A  51     -14.931  -5.356   2.830  1.00  0.00           H  
-ATOM    775  HZ1 LYS A  51     -13.435  -6.771   4.000  1.00  0.00           H  
-ATOM    776  HZ2 LYS A  51     -12.751  -5.216   4.001  1.00  0.00           H  
-ATOM    777  HZ3 LYS A  51     -12.157  -6.408   2.945  1.00  0.00           H  
-ATOM    778  N   HIS A  52     -17.641 -10.972  -0.076  1.00  0.00           N  
-ATOM    779  CA  HIS A  52     -18.385 -11.635  -1.186  1.00  0.00           C  
-ATOM    780  C   HIS A  52     -19.762 -10.988  -1.360  1.00  0.00           C  
-ATOM    781  O   HIS A  52     -20.079 -10.609  -2.475  1.00  0.00           O  
-ATOM    782  CB  HIS A  52     -18.528 -13.095  -0.753  1.00  0.00           C  
-ATOM    783  CG  HIS A  52     -18.310 -13.994  -1.940  1.00  0.00           C  
-ATOM    784  ND1 HIS A  52     -18.002 -15.338  -1.802  1.00  0.00           N  
-ATOM    785  CD2 HIS A  52     -18.351 -13.755  -3.291  1.00  0.00           C  
-ATOM    786  CE1 HIS A  52     -17.869 -15.852  -3.039  1.00  0.00           C  
-ATOM    787  NE2 HIS A  52     -18.072 -14.930  -3.983  1.00  0.00           N  
-ATOM    788  OXT HIS A  52     -20.475 -10.885  -0.376  1.00  0.00           O  
-ATOM    789  H   HIS A  52     -18.094 -10.781   0.772  1.00  0.00           H  
-ATOM    790  HA  HIS A  52     -17.822 -11.577  -2.105  1.00  0.00           H  
-ATOM    791  HB2 HIS A  52     -17.796 -13.318   0.008  1.00  0.00           H  
-ATOM    792  HB3 HIS A  52     -19.520 -13.257  -0.357  1.00  0.00           H  
-ATOM    793  HD1 HIS A  52     -17.899 -15.826  -0.958  1.00  0.00           H  
-ATOM    794  HD2 HIS A  52     -18.566 -12.801  -3.747  1.00  0.00           H  
-ATOM    795  HE1 HIS A  52     -17.629 -16.885  -3.243  1.00  0.00           H  

Deleted: SwiftApps/modFTDock/input/1waq-1.pdb
===================================================================
--- SwiftApps/modFTDock/input/1waq-1.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/1waq-1.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,830 +0,0 @@
-ATOM      1  N   ALA A  17      83.826  83.353  79.469  1.00 49.79           N  
-ATOM      2  CA  ALA A  17      83.237  82.753  80.726  1.00 48.45           C  
-ATOM      3  C   ALA A  17      84.339  82.212  81.648  1.00 34.17           C  
-ATOM      4  O   ALA A  17      84.125  82.102  82.878  1.00 14.21           O  
-ATOM      5  CB  ALA A  17      82.215  81.638  80.370  1.00 50.27           C  
-ATOM      6  N   ARG A  18      85.510  81.885  81.048  1.00 27.51           N  
-ATOM      7  CA  ARG A  18      86.577  81.250  81.816  1.00 72.93           C  
-ATOM      8  C   ARG A  18      87.584  82.253  82.389  1.00 43.82           C  
-ATOM      9  O   ARG A  18      87.678  83.363  81.892  1.00 61.73           O  
-ATOM     10  CB  ARG A  18      87.318  80.199  80.972  1.00 81.50           C  
-ATOM     11  CG  ARG A  18      86.506  78.949  80.623  1.00 76.83           C  
-ATOM     12  CD  ARG A  18      85.676  78.386  81.816  1.00 80.51           C  
-ATOM     13  NE  ARG A  18      85.148  77.065  81.475  1.00 93.82           N  
-ATOM     14  CZ  ARG A  18      85.801  75.930  81.681  1.00 84.55           C  
-ATOM     15  NH1 ARG A  18      87.019  75.952  82.234  1.00 84.71           N  
-ATOM     16  NH2 ARG A  18      85.235  74.772  81.336  1.00 93.00           N  
-ATOM     17  N   CYS A  19      88.331  81.857  83.417  1.00 55.24           N  
-ATOM     18  CA  CYS A  19      89.391  82.712  83.970  1.00 49.17           C  
-ATOM     19  C   CYS A  19      90.205  83.329  82.807  1.00 70.18           C  
-ATOM     20  O   CYS A  19      90.857  82.599  82.056  1.00 71.09           O  
-ATOM     21  CB  CYS A  19      90.314  81.920  84.889  1.00 55.19           C  
-ATOM     22  SG  CYS A  19      91.612  82.946  85.690  1.00 61.72           S  
-ATOM     23  N   SER A  20      90.104  84.665  82.598  1.00 47.33           N  
-ATOM     24  CA  SER A  20      90.958  85.344  81.635  1.00 50.23           C  
-ATOM     25  C   SER A  20      91.180  86.799  82.012  1.00 58.89           C  
-ATOM     26  O   SER A  20      90.716  87.253  83.111  1.00 56.79           O  
-ATOM     27  CB  SER A  20      90.479  85.154  80.165  1.00 84.33           C  
-ATOM     28  OG  SER A  20      89.128  85.664  79.862  1.00 84.72           O  
-ATOM     29  N   ARG A  21      91.967  87.498  81.192  1.00 53.69           N  
-ATOM     30  CA  ARG A  21      92.402  88.872  81.551  1.00 61.47           C  
-ATOM     31  C   ARG A  21      91.480  89.846  80.839  1.00 52.36           C  
-ATOM     32  O   ARG A  21      91.372  89.841  79.598  1.00 65.84           O  
-ATOM     33  CB  ARG A  21      93.866  89.146  81.149  1.00 56.62           C  
-ATOM     34  CG  ARG A  21      94.600  90.167  82.050  1.00 53.28           C  
-ATOM     35  CD  ARG A  21      95.989  90.585  81.534  1.00 46.65           C  
-ATOM     36  NE  ARG A  21      95.985  90.818  80.087  1.00 60.22           N  
-ATOM     37  CZ  ARG A  21      96.963  91.396  79.411  1.00 48.95           C  
-ATOM     38  NH1 ARG A  21      98.057  91.817  80.024  1.00 56.55           N  
-ATOM     39  NH2 ARG A  21      96.846  91.546  78.108  1.00 64.24           N  
-ATOM     40  N   LYS A  22      90.777  90.661  81.630  1.00 54.03           N  
-ATOM     41  CA  LYS A  22      89.879  91.623  81.048  1.00 29.55           C  
-ATOM     42  C   LYS A  22      90.475  92.982  81.357  1.00 64.47           C  
-ATOM     43  O   LYS A  22      91.409  93.101  82.175  1.00 61.42           O  
-ATOM     44  CB  LYS A  22      88.478  91.492  81.632  1.00 21.15           C  
-ATOM     45  CG  LYS A  22      87.830  90.085  81.361  1.00 70.46           C  
-ATOM     46  CD  LYS A  22      87.178  90.002  79.940  1.00 93.13           C  
-ATOM     47  CE  LYS A  22      86.886  88.442  79.724  1.00127.31           C  
-ATOM     48  NZ  LYS A  22      87.087  88.123  78.240  1.00 90.45           N  
-ATOM     49  N   ALA A  23      89.950  94.009  80.711  1.00 48.93           N  
-ATOM     50  CA  ALA A  23      90.493  95.329  80.960  1.00 87.23           C  
-ATOM     51  C   ALA A  23      90.144  95.871  82.380  1.00 75.26           C  
-ATOM     52  O   ALA A  23      89.042  95.559  82.967  1.00105.82           O  
-ATOM     53  CB  ALA A  23      89.998  96.339  79.866  1.00 37.75           C  
-ATOM     54  N   LEU A  24      91.053  96.782  82.825  1.00 45.94           N  
-ATOM     55  CA  LEU A  24      90.743  97.767  83.862  1.00 56.69           C  
-ATOM     56  C   LEU A  24      91.484  99.084  83.575  1.00 55.19           C  
-ATOM     57  O   LEU A  24      92.714  99.142  83.679  1.00 57.35           O  
-ATOM     58  CB  LEU A  24      91.134  97.239  85.255  1.00 53.51           C  
-ATOM     59  CG  LEU A  24      90.563  98.025  86.432  1.00 38.75           C  
-ATOM     60  CD1 LEU A  24      89.053  97.984  86.465  1.00 52.91           C  
-ATOM     61  CD2 LEU A  24      91.127  97.518  87.726  1.00 58.66           C  
-ATOM     62  N   HIS A  25      90.717 100.124  83.226  1.00 46.75           N  
-ATOM     63  CA  HIS A  25      91.240 101.473  82.904  1.00 50.01           C  
-ATOM     64  C   HIS A  25      91.284 102.374  84.168  1.00 35.30           C  
-ATOM     65  O   HIS A  25      90.243 102.804  84.678  1.00 47.04           O  
-ATOM     66  CB  HIS A  25      90.309 102.133  81.849  1.00 55.03           C  
-ATOM     67  CG AHIS A  25      90.294 101.391  80.488  0.50 87.47           C  
-ATOM     68  CG BHIS A  25      90.813 103.443  81.321  0.50 65.59           C  
-ATOM     69  ND1AHIS A  25      91.118 101.780  79.357  0.50 63.93           N  
-ATOM     70  ND1BHIS A  25      92.008 103.567  80.640  0.50 71.67           N  
-ATOM     71  CD2AHIS A  25      89.515 100.332  80.027  0.50 93.26           C  
-ATOM     72  CD2BHIS A  25      90.271 104.686  81.362  0.50 56.13           C  
-ATOM     73  CE1AHIS A  25      90.860 100.974  78.288  0.50 84.77           C  
-ATOM     74  CE1BHIS A  25      92.186 104.834  80.296  0.50 63.53           C  
-ATOM     75  NE2AHIS A  25      89.897 100.083  78.664  0.50 89.40           N  
-ATOM     76  NE2BHIS A  25      91.146 105.532  80.721  0.50 45.81           N  
-ATOM     77  N   VAL A  26      92.499 102.619  84.690  1.00 46.49           N  
-ATOM     78  CA  VAL A  26      92.679 103.334  85.956  1.00 47.91           C  
-ATOM     79  C   VAL A  26      92.865 104.824  85.640  1.00 47.70           C  
-ATOM     80  O   VAL A  26      93.793 105.194  84.932  1.00 48.07           O  
-ATOM     81  CB  VAL A  26      93.902 102.796  86.777  1.00 52.91           C  
-ATOM     82  CG1 VAL A  26      94.185 103.664  88.023  1.00 44.63           C  
-ATOM     83  CG2 VAL A  26      93.711 101.324  87.179  1.00 49.24           C  
-ATOM     84  N   ASN A  27      91.984 105.658  86.177  1.00 44.74           N  
-ATOM     85  CA  ASN A  27      92.050 107.113  85.985  1.00 39.61           C  
-ATOM     86  C   ASN A  27      92.596 107.855  87.219  1.00 50.17           C  
-ATOM     87  O   ASN A  27      91.875 108.050  88.200  1.00 62.08           O  
-ATOM     88  CB  ASN A  27      90.669 107.659  85.631  1.00 29.77           C  
-ATOM     89  CG  ASN A  27      90.716 109.116  85.189  1.00 57.66           C  
-ATOM     90  OD1 ASN A  27      91.777 109.750  85.229  1.00 71.09           O  
-ATOM     91  ND2 ASN A  27      89.569 109.664  84.775  1.00 35.90           N  
-ATOM     92  N   PHE A  28      93.859 108.268  87.169  1.00 46.40           N  
-ATOM     93  CA  PHE A  28      94.475 108.955  88.298  1.00 52.55           C  
-ATOM     94  C   PHE A  28      93.882 110.333  88.572  1.00 74.51           C  
-ATOM     95  O   PHE A  28      94.192 110.934  89.600  1.00 78.02           O  
-ATOM     96  CB  PHE A  28      95.992 109.075  88.123  1.00 53.65           C  
-ATOM     97  CG  PHE A  28      96.740 107.818  88.401  1.00 53.60           C  
-ATOM     98  CD1 PHE A  28      96.299 106.916  89.355  1.00 56.32           C  
-ATOM     99  CD2 PHE A  28      97.899 107.531  87.708  1.00 61.67           C  
-ATOM    100  CE1 PHE A  28      97.020 105.758  89.610  1.00 55.52           C  
-ATOM    101  CE2 PHE A  28      98.611 106.365  87.963  1.00 56.63           C  
-ATOM    102  CZ  PHE A  28      98.170 105.489  88.903  1.00 59.62           C  
-ATOM    103  N   LYS A  29      93.028 110.823  87.667  1.00 71.37           N  
-ATOM    104  CA  LYS A  29      92.426 112.148  87.794  1.00 67.16           C  
-ATOM    105  C   LYS A  29      91.255 112.191  88.775  1.00 75.28           C  
-ATOM    106  O   LYS A  29      90.717 113.255  89.064  1.00 83.43           O  
-ATOM    107  CB  LYS A  29      91.986 112.675  86.425  1.00 85.60           C  
-ATOM    108  CG  LYS A  29      93.125 113.156  85.543  1.00 74.87           C  
-ATOM    109  CD  LYS A  29      92.604 114.096  84.460  1.00 73.97           C  
-ATOM    110  CE  LYS A  29      93.450 115.361  84.374  1.00 66.58           C  
-ATOM    111  NZ  LYS A  29      93.029 116.209  83.218  1.00 81.63           N  
-ATOM    112  N   ASP A  30      90.846 111.033  89.270  1.00 83.57           N  
-ATOM    113  CA  ASP A  30      89.908 110.985  90.386  1.00 94.90           C  
-ATOM    114  C   ASP A  30      90.720 111.164  91.660  1.00 97.55           C  
-ATOM    115  O   ASP A  30      90.336 111.923  92.564  1.00 88.67           O  
-ATOM    116  CB  ASP A  30      89.171 109.637  90.418  1.00 93.79           C  
-ATOM    117  CG  ASP A  30      88.304 109.431  89.173  1.00 91.74           C  
-ATOM    118  OD1 ASP A  30      87.986 110.429  88.453  1.00 84.66           O  
-ATOM    119  OD2 ASP A  30      87.894 108.302  88.833  1.00 85.81           O  
-ATOM    120  N   MET A  31      91.866 110.471  91.672  1.00 89.64           N  
-ATOM    121  CA  MET A  31      92.779 110.308  92.804  1.00 76.11           C  
-ATOM    122  C   MET A  31      93.033 111.526  93.682  1.00 61.83           C  
-ATOM    123  O   MET A  31      93.374 111.380  94.842  1.00 66.74           O  
-ATOM    124  CB  MET A  31      94.128 109.780  92.293  1.00 55.15           C  
-ATOM    125  CG  MET A  31      94.470 108.367  92.751  1.00 77.06           C  
-ATOM    126  SD  MET A  31      93.082 107.232  92.911  1.00 70.79           S  
-ATOM    127  CE  MET A  31      93.721 105.769  92.072  1.00 67.70           C  
-ATOM    128  N   GLY A  32      92.896 112.715  93.121  1.00 61.49           N  
-ATOM    129  CA  GLY A  32      93.097 113.938  93.872  1.00 49.80           C  
-ATOM    130  C   GLY A  32      94.571 114.286  93.935  1.00 57.16           C  
-ATOM    131  O   GLY A  32      95.066 114.817  94.938  1.00 55.17           O  
-ATOM    132  N   TRP A  33      95.272 114.021  92.837  1.00 62.53           N  
-ATOM    133  CA  TRP A  33      96.704 114.245  92.764  1.00 59.34           C  
-ATOM    134  C   TRP A  33      97.083 115.344  91.775  1.00 84.98           C  
-ATOM    135  O   TRP A  33      98.259 115.452  91.368  1.00 75.07           O  
-ATOM    136  CB  TRP A  33      97.378 112.939  92.356  1.00 61.79           C  
-ATOM    137  CG  TRP A  33      97.284 111.873  93.415  1.00 55.28           C  
-ATOM    138  CD1 TRP A  33      96.973 112.048  94.748  1.00 59.98           C  
-ATOM    139  CD2 TRP A  33      97.507 110.473  93.243  1.00 68.67           C  
-ATOM    140  NE1 TRP A  33      96.983 110.837  95.398  1.00 48.50           N  
-ATOM    141  CE2 TRP A  33      97.311 109.854  94.501  1.00 49.81           C  
-ATOM    142  CE3 TRP A  33      97.862 109.672  92.153  1.00 71.07           C  
-ATOM    143  CZ2 TRP A  33      97.461 108.477  94.693  1.00 58.21           C  
-ATOM    144  CZ3 TRP A  33      98.001 108.302  92.348  1.00 62.37           C  
-ATOM    145  CH2 TRP A  33      97.802 107.721  93.608  1.00 66.43           C  
-ATOM    146  N   ASP A  34      96.104 116.181  91.421  1.00 63.63           N  
-ATOM    147  CA  ASP A  34      96.222 117.005  90.211  1.00 69.77           C  
-ATOM    148  C   ASP A  34      97.336 118.027  90.262  1.00 77.53           C  
-ATOM    149  O   ASP A  34      97.996 118.287  89.250  1.00 77.88           O  
-ATOM    150  CB  ASP A  34      94.877 117.638  89.812  1.00 83.20           C  
-ATOM    151  CG  ASP A  34      94.094 116.764  88.819  1.00112.65           C  
-ATOM    152  OD1 ASP A  34      92.936 117.124  88.488  1.00 95.81           O  
-ATOM    153  OD2 ASP A  34      94.560 115.699  88.322  1.00 78.36           O  
-ATOM    154  N   ASP A  35      97.567 118.584  91.445  1.00 69.57           N  
-ATOM    155  CA  ASP A  35      98.687 119.490  91.624  1.00 71.66           C  
-ATOM    156  C   ASP A  35     100.054 118.803  91.540  1.00 76.57           C  
-ATOM    157  O   ASP A  35     101.076 119.482  91.388  1.00 74.51           O  
-ATOM    158  CB  ASP A  35      98.537 120.296  92.921  1.00 74.86           C  
-ATOM    159  CG  ASP A  35      97.704 121.559  92.717  1.00 84.47           C  
-ATOM    160  OD1 ASP A  35      97.839 122.194  91.643  1.00 82.89           O  
-ATOM    161  OD2 ASP A  35      96.882 121.985  93.556  1.00 89.81           O  
-ATOM    162  N   TRP A  36     100.084 117.471  91.606  1.00 54.33           N  
-ATOM    163  CA  TRP A  36     101.369 116.800  91.671  1.00 53.39           C  
-ATOM    164  C   TRP A  36     101.701 115.899  90.488  1.00 50.06           C  
-ATOM    165  O   TRP A  36     102.813 115.950  89.997  1.00 53.33           O  
-ATOM    166  CB  TRP A  36     101.550 116.112  93.030  1.00 57.27           C  
-ATOM    167  CG  TRP A  36     101.335 117.112  94.121  1.00 62.61           C  
-ATOM    168  CD1 TRP A  36     102.210 118.082  94.523  1.00 60.23           C  
-ATOM    169  CD2 TRP A  36     100.134 117.323  94.871  1.00 45.67           C  
-ATOM    170  NE1 TRP A  36     101.640 118.850  95.509  1.00 60.13           N  
-ATOM    171  CE2 TRP A  36     100.364 118.405  95.739  1.00 55.65           C  
-ATOM    172  CE3 TRP A  36      98.893 116.692  94.908  1.00 52.38           C  
-ATOM    173  CZ2 TRP A  36      99.399 118.865  96.643  1.00 58.61           C  
-ATOM    174  CZ3 TRP A  36      97.942 117.140  95.808  1.00 61.90           C  
-ATOM    175  CH2 TRP A  36      98.199 118.217  96.660  1.00 53.88           C  
-ATOM    176  N   ILE A  37     100.739 115.135  89.988  1.00 47.20           N  
-ATOM    177  CA  ILE A  37     101.044 114.117  88.989  1.00 53.37           C  
-ATOM    178  C   ILE A  37     101.192 114.653  87.542  1.00 53.91           C  
-ATOM    179  O   ILE A  37     100.360 115.391  87.043  1.00 54.65           O  
-ATOM    180  CB  ILE A  37     100.048 112.944  89.116  1.00 52.54           C  
-ATOM    181  CG1 ILE A  37     100.491 111.751  88.283  1.00 59.15           C  
-ATOM    182  CG2 ILE A  37      98.666 113.377  88.724  1.00 64.61           C  
-ATOM    183  CD1 ILE A  37      99.854 110.467  88.797  1.00 67.50           C  
-ATOM    184  N   ILE A  38     102.292 114.314  86.895  1.00 55.22           N  
-ATOM    185  CA  ILE A  38     102.488 114.744  85.525  1.00 50.93           C  
-ATOM    186  C   ILE A  38     102.025 113.667  84.546  1.00 44.60           C  
-ATOM    187  O   ILE A  38     101.190 113.926  83.691  1.00 51.22           O  
-ATOM    188  CB  ILE A  38     103.957 115.155  85.268  1.00 54.01           C  
-ATOM    189  CG1 ILE A  38     104.360 116.297  86.207  1.00 53.04           C  
-ATOM    190  CG2 ILE A  38     104.150 115.544  83.786  1.00 46.62           C  
-ATOM    191  CD1 ILE A  38     105.850 116.569  86.260  1.00 58.09           C  
-ATOM    192  N   ALA A  39     102.536 112.456  84.693  1.00 46.44           N  
-ATOM    193  CA  ALA A  39     102.198 111.386  83.765  1.00 47.92           C  
-ATOM    194  C   ALA A  39     102.546 110.082  84.439  1.00 53.20           C  
-ATOM    195  O   ALA A  39     103.434 110.085  85.272  1.00 61.73           O  
-ATOM    196  CB  ALA A  39     102.985 111.569  82.460  1.00 56.29           C  
-ATOM    197  N   PRO A  40     101.834 108.978  84.152  1.00 54.95           N  
-ATOM    198  CA  PRO A  40     100.635 108.982  83.303  1.00 53.76           C  
-ATOM    199  C   PRO A  40      99.408 109.396  84.110  1.00 54.01           C  
-ATOM    200  O   PRO A  40      99.387 109.229  85.307  1.00 48.56           O  
-ATOM    201  CB  PRO A  40     100.518 107.531  82.879  1.00 48.48           C  
-ATOM    202  CG  PRO A  40     101.036 106.764  84.053  1.00 55.74           C  
-ATOM    203  CD  PRO A  40     102.142 107.626  84.649  1.00 55.02           C  
-ATOM    204  N   LEU A  41      98.402 109.941  83.459  1.00 44.99           N  
-ATOM    205  CA  LEU A  41      97.215 110.329  84.173  1.00 45.57           C  
-ATOM    206  C   LEU A  41      96.198 109.210  84.108  1.00 41.43           C  
-ATOM    207  O   LEU A  41      95.196 109.227  84.809  1.00 43.80           O  
-ATOM    208  CB  LEU A  41      96.651 111.625  83.596  1.00 43.61           C  
-ATOM    209  CG  LEU A  41      97.026 112.947  84.276  1.00 62.33           C  
-ATOM    210  CD1 LEU A  41      98.352 112.905  84.993  1.00 58.95           C  
-ATOM    211  CD2 LEU A  41      97.072 114.025  83.226  1.00 56.40           C  
-ATOM    212  N   GLU A  42      96.474 108.237  83.254  1.00 45.14           N  
-ATOM    213  CA  GLU A  42      95.631 107.066  83.109  1.00 46.56           C  
-ATOM    214  C   GLU A  42      96.534 105.913  82.703  1.00 46.69           C  
-ATOM    215  O   GLU A  42      97.552 106.123  82.041  1.00 48.97           O  
-ATOM    216  CB  GLU A  42      94.514 107.311  82.062  1.00 41.71           C  
-ATOM    217  CG  GLU A  42      94.746 106.692  80.685  1.00 53.01           C  
-ATOM    218  CD  GLU A  42      94.355 107.611  79.530  1.00123.05           C  
-ATOM    219  OE1 GLU A  42      93.255 107.436  78.944  1.00102.15           O  
-ATOM    220  OE2 GLU A  42      95.155 108.509  79.182  1.00124.57           O  
-ATOM    221  N   TYR A  43      96.167 104.701  83.105  1.00 44.16           N  
-ATOM    222  CA  TYR A  43      96.860 103.499  82.619  1.00 47.81           C  
-ATOM    223  C   TYR A  43      95.962 102.259  82.634  1.00 47.58           C  
-ATOM    224  O   TYR A  43      94.959 102.203  83.332  1.00 46.96           O  
-ATOM    225  CB  TYR A  43      98.181 103.254  83.369  1.00 45.35           C  
-ATOM    226  CG  TYR A  43      98.053 102.487  84.666  1.00 55.32           C  
-ATOM    227  CD1 TYR A  43      97.549 103.093  85.802  1.00 51.62           C  
-ATOM    228  CD2 TYR A  43      98.445 101.151  84.755  1.00 55.43           C  
-ATOM    229  CE1 TYR A  43      97.432 102.392  87.007  1.00 50.04           C  
-ATOM    230  CE2 TYR A  43      98.330 100.442  85.949  1.00 53.23           C  
-ATOM    231  CZ  TYR A  43      97.822 101.072  87.073  1.00 62.40           C  
-ATOM    232  OH  TYR A  43      97.708 100.373  88.256  1.00 58.20           O  
-ATOM    233  N   GLU A  44      96.325 101.302  81.801  1.00 47.23           N  
-ATOM    234  CA  GLU A  44      95.608 100.045  81.683  1.00 46.45           C  
-ATOM    235  C   GLU A  44      96.180  99.023  82.703  1.00 50.81           C  
-ATOM    236  O   GLU A  44      97.297  98.536  82.551  1.00 54.17           O  
-ATOM    237  CB  GLU A  44      95.720  99.543  80.238  1.00 49.44           C  
-ATOM    238  CG  GLU A  44      95.081  98.187  79.989  1.00 74.22           C  
-ATOM    239  CD  GLU A  44      93.634  98.139  80.447  1.00 99.56           C  
-ATOM    240  OE1 GLU A  44      92.824  98.942  79.918  1.00116.43           O  
-ATOM    241  OE2 GLU A  44      93.313  97.315  81.339  1.00 69.48           O  
-ATOM    242  N   ALA A  45      95.424  98.734  83.755  1.00 45.01           N  
-ATOM    243  CA  ALA A  45      95.899  97.818  84.793  1.00 52.53           C  
-ATOM    244  C   ALA A  45      95.492  96.380  84.546  1.00 52.53           C  
-ATOM    245  O   ALA A  45      96.168  95.466  85.022  1.00 54.37           O  
-ATOM    246  CB  ALA A  45      95.420  98.259  86.181  1.00 47.19           C  
-ATOM    247  N   PHE A  46      94.386  96.181  83.829  1.00 42.86           N  
-ATOM    248  CA  PHE A  46      93.741  94.862  83.714  1.00 55.48           C  
-ATOM    249  C   PHE A  46      93.212  94.293  85.050  1.00 54.94           C  
-ATOM    250  O   PHE A  46      93.553  94.776  86.146  1.00 52.97           O  
-ATOM    251  CB  PHE A  46      94.677  93.839  83.059  1.00 50.33           C  
-ATOM    252  CG  PHE A  46      95.174  94.252  81.700  1.00 61.11           C  
-ATOM    253  CD1 PHE A  46      94.331  94.198  80.593  1.00 46.01           C  
-ATOM    254  CD2 PHE A  46      96.483  94.681  81.524  1.00 45.61           C  
-ATOM    255  CE1 PHE A  46      94.784  94.564  79.333  1.00 66.72           C  
-ATOM    256  CE2 PHE A  46      96.946  95.046  80.263  1.00 56.09           C  
-ATOM    257  CZ  PHE A  46      96.091  94.994  79.164  1.00 54.54           C  
-ATOM    258  N   HIS A  47      92.350  93.289  84.940  1.00 57.37           N  
-ATOM    259  CA  HIS A  47      91.903  92.497  86.082  1.00 50.18           C  
-ATOM    260  C   HIS A  47      91.524  91.086  85.621  1.00 49.50           C  
-ATOM    261  O   HIS A  47      91.273  90.842  84.445  1.00 54.69           O  
-ATOM    262  CB  HIS A  47      90.732  93.160  86.834  1.00 42.44           C  
-ATOM    263  CG  HIS A  47      89.434  93.158  86.082  1.00 40.80           C  
-ATOM    264  ND1 HIS A  47      88.400  92.292  86.384  1.00 58.71           N  
-ATOM    265  CD2 HIS A  47      88.989  93.936  85.062  1.00 58.65           C  
-ATOM    266  CE1 HIS A  47      87.381  92.523  85.572  1.00 34.97           C  
-ATOM    267  NE2 HIS A  47      87.716  93.514  84.755  1.00 54.78           N  
-ATOM    268  N   CYS A  48      91.475  90.176  86.574  1.00 50.48           N  
-ATOM    269  CA  CYS A  48      91.237  88.761  86.315  1.00 56.34           C  
-ATOM    270  C   CYS A  48      89.830  88.426  86.709  1.00 56.12           C  
-ATOM    271  O   CYS A  48      89.370  88.833  87.777  1.00 64.92           O  
-ATOM    272  CB  CYS A  48      92.187  87.936  87.153  1.00 44.44           C  
-ATOM    273  SG  CYS A  48      93.890  88.176  86.644  1.00 60.01           S  
-ATOM    274  N   GLU A  49      89.148  87.684  85.845  1.00 47.35           N  
-ATOM    275  CA  GLU A  49      87.753  87.389  86.045  1.00 48.23           C  
-ATOM    276  C   GLU A  49      87.432  86.081  85.341  1.00 51.70           C  
-ATOM    277  O   GLU A  49      87.942  85.820  84.258  1.00 54.45           O  
-ATOM    278  CB  GLU A  49      86.930  88.528  85.430  1.00 53.45           C  
-ATOM    279  CG  GLU A  49      85.440  88.507  85.701  1.00 43.95           C  
-ATOM    280  CD  GLU A  49      84.763  89.784  85.232  1.00 76.07           C  
-ATOM    281  OE1 GLU A  49      84.845  90.800  85.960  1.00 92.75           O  
-ATOM    282  OE2 GLU A  49      84.158  89.787  84.124  1.00109.05           O  
-ATOM    283  N   GLY A  50      86.602  85.256  85.964  1.00 55.29           N  
-ATOM    284  CA  GLY A  50      86.005  84.121  85.276  1.00 53.34           C  
-ATOM    285  C   GLY A  50      86.132  82.826  86.040  1.00 47.66           C  
-ATOM    286  O   GLY A  50      86.873  82.754  87.022  1.00 54.38           O  
-ATOM    287  N   LEU A  51      85.438  81.801  85.545  1.00 44.27           N  
-ATOM    288  CA  LEU A  51      85.350  80.507  86.217  1.00 63.34           C  
-ATOM    289  C   LEU A  51      86.690  79.770  86.303  1.00 51.83           C  
-ATOM    290  O   LEU A  51      87.548  79.852  85.410  1.00 56.57           O  
-ATOM    291  CB  LEU A  51      84.303  79.604  85.548  1.00 46.02           C  
-ATOM    292  CG  LEU A  51      82.829  80.006  85.872  1.00 93.52           C  
-ATOM    293  CD1 LEU A  51      81.838  79.235  85.000  1.00 71.73           C  
-ATOM    294  CD2 LEU A  51      82.535  79.758  87.397  1.00106.12           C  
-ATOM    295  N   CYS A  52      86.837  79.043  87.402  1.00 47.10           N  
-ATOM    296  CA  CYS A  52      88.031  78.240  87.634  1.00 62.47           C  
-ATOM    297  C   CYS A  52      87.620  76.814  87.804  1.00 56.36           C  
-ATOM    298  O   CYS A  52      87.311  76.375  88.907  1.00 65.07           O  
-ATOM    299  CB  CYS A  52      88.744  78.703  88.898  1.00 52.67           C  
-ATOM    300  SG  CYS A  52      89.842  80.066  88.524  1.00 64.64           S  
-ATOM    301  N   GLU A  53      87.614  76.076  86.715  1.00 51.50           N  
-ATOM    302  CA  GLU A  53      87.144  74.723  86.804  1.00 54.39           C  
-ATOM    303  C   GLU A  53      87.799  73.891  85.730  1.00 49.66           C  
-ATOM    304  O   GLU A  53      88.398  74.430  84.786  1.00 47.45           O  
-ATOM    305  CB  GLU A  53      85.617  74.701  86.717  1.00 53.42           C  
-ATOM    306  CG  GLU A  53      85.076  74.977  85.332  1.00 70.08           C  
-ATOM    307  CD  GLU A  53      83.638  75.468  85.341  1.00101.75           C  
-ATOM    308  OE1 GLU A  53      83.150  75.926  86.398  1.00109.36           O  
-ATOM    309  OE2 GLU A  53      82.992  75.397  84.280  1.00 63.29           O  
-ATOM    310  N   PHE A  54      87.707  72.572  85.896  1.00 49.70           N  
-ATOM    311  CA  PHE A  54      88.161  71.672  84.860  1.00 56.30           C  
-ATOM    312  C   PHE A  54      87.455  72.129  83.535  1.00 41.92           C  
-ATOM    313  O   PHE A  54      86.237  72.436  83.516  1.00 65.74           O  
-ATOM    314  CB  PHE A  54      87.948  70.200  85.263  1.00 42.72           C  
-ATOM    315  CG  PHE A  54      88.808  69.760  86.434  1.00 42.54           C  
-ATOM    316  CD1 PHE A  54      88.230  69.262  87.597  1.00 52.27           C  
-ATOM    317  CD2 PHE A  54      90.182  69.870  86.386  1.00 45.99           C  
-ATOM    318  CE1 PHE A  54      89.018  68.851  88.673  1.00 44.18           C  
-ATOM    319  CE2 PHE A  54      90.965  69.494  87.459  1.00 46.56           C  
-ATOM    320  CZ  PHE A  54      90.369  68.961  88.607  1.00 44.16           C  
-ATOM    321  N   PRO A  55      88.197  72.217  82.429  1.00 50.55           N  
-ATOM    322  CA  PRO A  55      89.633  71.881  82.453  1.00 42.12           C  
-ATOM    323  C   PRO A  55      90.468  73.075  82.755  1.00 64.24           C  
-ATOM    324  O   PRO A  55      90.188  74.185  82.273  1.00 70.98           O  
-ATOM    325  CB  PRO A  55      89.895  71.451  81.013  1.00 77.93           C  
-ATOM    326  CG  PRO A  55      88.840  72.224  80.117  1.00 77.52           C  
-ATOM    327  CD  PRO A  55      87.700  72.585  81.060  1.00 73.16           C  
-ATOM    328  N   LEU A  56      91.498  72.859  83.558  1.00 52.57           N  
-ATOM    329  CA  LEU A  56      92.446  73.902  83.835  1.00 55.59           C  
-ATOM    330  C   LEU A  56      93.464  73.983  82.694  1.00 64.91           C  
-ATOM    331  O   LEU A  56      94.408  73.170  82.605  1.00 65.62           O  
-ATOM    332  CB  LEU A  56      93.132  73.641  85.169  1.00 53.97           C  
-ATOM    333  CG  LEU A  56      92.167  73.638  86.351  1.00 54.37           C  
-ATOM    334  CD1 LEU A  56      92.825  73.052  87.586  1.00 57.57           C  
-ATOM    335  CD2 LEU A  56      91.646  75.032  86.633  1.00 63.11           C  
-ATOM    336  N   ARG A  57      93.250  74.947  81.807  1.00 56.10           N  
-ATOM    337  CA  ARG A  57      94.156  75.155  80.685  1.00 73.99           C  
-ATOM    338  C   ARG A  57      95.568  75.454  81.180  1.00 59.80           C  
-ATOM    339  O   ARG A  57      95.754  76.007  82.253  1.00 54.30           O  
-ATOM    340  CB  ARG A  57      93.634  76.252  79.753  1.00 62.32           C  
-ATOM    341  CG  ARG A  57      92.101  76.160  79.555  1.00 80.89           C  
-ATOM    342  CD  ARG A  57      91.701  76.484  78.037  1.00113.37           C  
-ATOM    343  NE  ARG A  57      90.962  75.318  77.424  1.00105.83           N  
-ATOM    344  CZ  ARG A  57      89.738  74.932  77.899  1.00102.83           C  
-ATOM    345  NH1 ARG A  57      89.068  75.644  78.993  1.00 61.02           N  
-ATOM    346  NH2 ARG A  57      89.169  73.831  77.275  1.00 86.22           N  
-ATOM    347  N   SER A  58      96.562  75.053  80.388  1.00 78.47           N  
-ATOM    348  CA  SER A  58      97.957  75.201  80.806  1.00 89.22           C  
-ATOM    349  C   SER A  58      98.366  76.646  81.145  1.00 98.27           C  
-ATOM    350  O   SER A  58      99.268  76.856  82.000  1.00 90.53           O  
-ATOM    351  CB  SER A  58      98.882  74.631  79.744  1.00 70.53           C  
-ATOM    352  OG  SER A  58      99.797  75.641  79.341  1.00 92.39           O  
-ATOM    353  N   HIS A  59      97.697  77.636  80.513  1.00 82.86           N  
-ATOM    354  CA  HIS A  59      98.015  79.040  80.797  1.00 61.91           C  
-ATOM    355  C   HIS A  59      97.533  79.520  82.176  1.00 74.55           C  
-ATOM    356  O   HIS A  59      97.991  80.545  82.688  1.00 64.89           O  
-ATOM    357  CB  HIS A  59      97.550  79.973  79.653  1.00 81.40           C  
-ATOM    358  CG  HIS A  59      96.058  80.053  79.473  1.00105.69           C  
-ATOM    359  ND1 HIS A  59      95.349  79.228  78.592  1.00125.92           N  
-ATOM    360  CD2 HIS A  59      95.131  80.893  80.028  1.00 88.88           C  
-ATOM    361  CE1 HIS A  59      94.063  79.540  78.632  1.00122.09           C  
-ATOM    362  NE2 HIS A  59      93.896  80.549  79.499  1.00 76.77           N  
-ATOM    363  N   LEU A  60      96.636  78.771  82.807  1.00 63.97           N  
-ATOM    364  CA  LEU A  60      96.266  79.107  84.167  1.00 56.91           C  
-ATOM    365  C   LEU A  60      97.357  78.681  85.170  1.00 59.55           C  
-ATOM    366  O   LEU A  60      97.241  78.990  86.367  1.00 67.07           O  
-ATOM    367  CB  LEU A  60      94.947  78.425  84.550  1.00 72.67           C  
-ATOM    368  CG  LEU A  60      93.597  79.105  84.264  1.00 88.34           C  
-ATOM    369  CD1 LEU A  60      93.738  80.319  83.332  1.00 65.51           C  
-ATOM    370  CD2 LEU A  60      92.601  78.081  83.703  1.00 60.72           C  
-ATOM    371  N   GLU A  61      98.365  77.948  84.679  1.00 57.52           N  
-ATOM    372  CA  GLU A  61      99.482  77.384  85.463  1.00 62.71           C  
-ATOM    373  C   GLU A  61      99.142  77.041  86.918  1.00 65.66           C  
-ATOM    374  O   GLU A  61      99.716  77.602  87.851  1.00 66.48           O  
-ATOM    375  CB  GLU A  61     100.677  78.333  85.399  1.00 70.01           C  
-ATOM    376  CG  GLU A  61     101.032  78.698  83.965  1.00 74.47           C  
-ATOM    377  CD  GLU A  61     102.283  79.533  83.853  1.00105.09           C  
-ATOM    378  OE1 GLU A  61     102.268  80.667  84.372  1.00 74.75           O  
-ATOM    379  OE2 GLU A  61     103.269  79.059  83.237  1.00 97.71           O  
-ATOM    380  N   PRO A  62      98.182  76.148  87.118  1.00 62.97           N  
-ATOM    381  CA  PRO A  62      97.682  75.887  88.464  1.00 55.93           C  
-ATOM    382  C   PRO A  62      98.779  75.289  89.362  1.00 49.20           C  
-ATOM    383  O   PRO A  62      99.615  74.540  88.895  1.00 50.38           O  
-ATOM    384  CB  PRO A  62      96.558  74.876  88.218  1.00 53.35           C  
-ATOM    385  CG  PRO A  62      96.890  74.227  86.921  1.00 49.83           C  
-ATOM    386  CD  PRO A  62      97.529  75.294  86.106  1.00 61.89           C  
-ATOM    387  N   THR A  63      98.794  75.666  90.624  1.00 49.60           N  
-ATOM    388  CA  THR A  63      99.635  75.002  91.605  1.00 50.44           C  
-ATOM    389  C   THR A  63      99.046  73.626  91.883  1.00 52.07           C  
-ATOM    390  O   THR A  63      97.892  73.367  91.538  1.00 50.71           O  
-ATOM    391  CB  THR A  63      99.628  75.822  92.907  1.00 58.92           C  
-ATOM    392  OG1 THR A  63      98.269  76.155  93.239  1.00 52.17           O  
-ATOM    393  CG2 THR A  63     100.299  77.212  92.673  1.00 57.37           C  
-ATOM    394  N   ASN A  64      99.830  72.743  92.497  1.00 48.28           N  
-ATOM    395  CA  ASN A  64      99.313  71.473  92.998  1.00 48.23           C  
-ATOM    396  C   ASN A  64      98.116  71.664  93.893  1.00 49.41           C  
-ATOM    397  O   ASN A  64      97.138  70.941  93.765  1.00 46.64           O  
-ATOM    398  CB  ASN A  64     100.392  70.716  93.762  1.00 44.74           C  
-ATOM    399  CG  ASN A  64     101.458  70.177  92.848  1.00 52.77           C  
-ATOM    400  OD1 ASN A  64     101.154  69.749  91.752  1.00 56.29           O  
-ATOM    401  ND2 ASN A  64     102.712  70.216  93.278  1.00 43.52           N  
-ATOM    402  N   HIS A  65      98.198  72.645  94.797  1.00 50.69           N  
-ATOM    403  CA  HIS A  65      97.097  72.945  95.701  1.00 46.92           C  
-ATOM    404  C   HIS A  65      95.824  73.283  94.941  1.00 51.26           C  
-ATOM    405  O   HIS A  65      94.754  72.815  95.308  1.00 49.02           O  
-ATOM    406  CB  HIS A  65      97.438  74.089  96.667  1.00 51.46           C  
-ATOM    407  CG  HIS A  65      96.381  74.307  97.693  1.00 51.89           C  
-ATOM    408  ND1 HIS A  65      95.257  75.068  97.452  1.00 43.76           N  
-ATOM    409  CD2 HIS A  65      96.232  73.795  98.936  1.00 42.64           C  
-ATOM    410  CE1 HIS A  65      94.474  75.035  98.516  1.00 46.20           C  
-ATOM    411  NE2 HIS A  65      95.044  74.269  99.428  1.00 50.53           N  
-ATOM    412  N   ALA A  66      95.929  74.111  93.906  1.00 50.03           N  
-ATOM    413  CA  ALA A  66      94.755  74.482  93.100  1.00 55.55           C  
-ATOM    414  C   ALA A  66      94.119  73.302  92.349  1.00 50.17           C  
-ATOM    415  O   ALA A  66      92.904  73.265  92.195  1.00 47.63           O  
-ATOM    416  CB  ALA A  66      95.117  75.597  92.087  1.00 48.99           C  
-ATOM    417  N   VAL A  67      94.938  72.386  91.829  1.00 48.47           N  
-ATOM    418  CA  VAL A  67      94.413  71.195  91.160  1.00 51.32           C  
-ATOM    419  C   VAL A  67      93.596  70.375  92.162  1.00 53.67           C  
-ATOM    420  O   VAL A  67      92.470  69.994  91.871  1.00 50.69           O  
-ATOM    421  CB  VAL A  67      95.528  70.343  90.559  1.00 55.47           C  
-ATOM    422  CG1 VAL A  67      94.982  68.984  90.098  1.00 53.32           C  
-ATOM    423  CG2 VAL A  67      96.217  71.103  89.395  1.00 46.34           C  
-ATOM    424  N   ILE A  68      94.161  70.159  93.347  1.00 48.75           N  
-ATOM    425  CA  ILE A  68      93.530  69.388  94.409  1.00 50.75           C  
-ATOM    426  C   ILE A  68      92.244  70.039  94.887  1.00 54.57           C  
-ATOM    427  O   ILE A  68      91.224  69.361  95.047  1.00 53.22           O  
-ATOM    428  CB  ILE A  68      94.498  69.197  95.611  1.00 56.45           C  
-ATOM    429  CG1 ILE A  68      95.632  68.249  95.225  1.00 58.84           C  
-ATOM    430  CG2 ILE A  68      93.759  68.611  96.819  1.00 54.19           C  
-ATOM    431  CD1 ILE A  68      96.826  68.306  96.145  1.00 60.49           C  
-ATOM    432  N   GLN A  69      92.283  71.352  95.120  1.00 54.00           N  
-ATOM    433  CA  GLN A  69      91.061  72.065  95.465  1.00 59.41           C  
-ATOM    434  C   GLN A  69      90.006  71.989  94.366  1.00 47.56           C  
-ATOM    435  O   GLN A  69      88.816  71.813  94.645  1.00 47.77           O  
-ATOM    436  CB  GLN A  69      91.330  73.516  95.849  1.00 55.14           C  
-ATOM    437  CG  GLN A  69      90.115  74.136  96.525  1.00 49.42           C  
-ATOM    438  CD  GLN A  69      90.315  75.574  96.971  1.00 59.65           C  
-ATOM    439  OE1 GLN A  69      91.390  75.943  97.441  1.00 54.82           O  
-ATOM    440  NE2 GLN A  69      89.281  76.391  96.812  1.00 56.42           N  
-ATOM    441  N   THR A  70      90.429  72.127  93.119  1.00 48.67           N  
-ATOM    442  CA  THR A  70      89.478  72.078  92.016  1.00 56.72           C  
-ATOM    443  C   THR A  70      88.832  70.686  91.972  1.00 52.47           C  
-ATOM    444  O   THR A  70      87.643  70.581  91.692  1.00 47.56           O  
-ATOM    445  CB  THR A  70      90.182  72.386  90.698  1.00 52.86           C  
-ATOM    446  OG1 THR A  70      90.686  73.713  90.764  1.00 50.72           O  
-ATOM    447  CG2 THR A  70      89.203  72.378  89.478  1.00 44.16           C  
-ATOM    448  N   LEU A  71      89.616  69.644  92.250  1.00 49.60           N  
-ATOM    449  CA  LEU A  71      89.107  68.260  92.187  1.00 57.98           C  
-ATOM    450  C   LEU A  71      88.080  68.060  93.289  1.00 51.87           C  
-ATOM    451  O   LEU A  71      86.989  67.601  93.033  1.00 53.28           O  
-ATOM    452  CB  LEU A  71      90.223  67.215  92.304  1.00 50.38           C  
-ATOM    453  CG  LEU A  71      89.821  65.728  92.425  1.00 58.43           C  
-ATOM    454  CD1 LEU A  71      89.150  65.131  91.145  1.00 48.78           C  
-ATOM    455  CD2 LEU A  71      91.043  64.921  92.776  1.00 57.06           C  
-ATOM    456  N   MET A  72      88.416  68.484  94.495  1.00 54.00           N  
-ATOM    457  CA  MET A  72      87.515  68.350  95.626  1.00 55.39           C  
-ATOM    458  C   MET A  72      86.198  69.106  95.424  1.00 56.16           C  
-ATOM    459  O   MET A  72      85.132  68.570  95.710  1.00 63.03           O  
-ATOM    460  CB  MET A  72      88.234  68.767  96.907  1.00 51.92           C  
-ATOM    461  CG  MET A  72      89.230  67.661  97.374  1.00 51.84           C  
-ATOM    462  SD  MET A  72      90.140  68.243  98.805  1.00 61.58           S  
-ATOM    463  CE  MET A  72      88.849  67.978 100.154  1.00 65.25           C  
-ATOM    464  N   ASN A  73      86.268  70.329  94.905  1.00 50.77           N  
-ATOM    465  CA  ASN A  73      85.068  71.085  94.528  1.00 47.62           C  
-ATOM    466  C   ASN A  73      84.247  70.354  93.478  1.00 51.15           C  
-ATOM    467  O   ASN A  73      83.037  70.392  93.516  1.00 58.30           O  
-ATOM    468  CB  ASN A  73      85.438  72.505  94.053  1.00 44.95           C  
-ATOM    469  CG  ASN A  73      84.293  73.219  93.335  1.00 50.12           C  
-ATOM    470  OD1 ASN A  73      83.420  73.819  93.959  1.00 51.83           O  
-ATOM    471  ND2 ASN A  73      84.307  73.165  92.022  1.00 49.78           N  
-ATOM    472  N   SER A  74      84.913  69.651  92.566  1.00 51.38           N  
-ATOM    473  CA  SER A  74      84.210  68.904  91.517  1.00 49.97           C  
-ATOM    474  C   SER A  74      83.536  67.653  92.044  1.00 58.19           C  
-ATOM    475  O   SER A  74      82.441  67.314  91.619  1.00 55.98           O  
-ATOM    476  CB  SER A  74      85.168  68.514  90.409  1.00 53.86           C  
-ATOM    477  OG  SER A  74      84.459  67.914  89.351  1.00 62.08           O  
-ATOM    478  N   MET A  75      84.198  66.954  92.959  1.00 61.26           N  
-ATOM    479  CA  MET A  75      83.598  65.780  93.574  1.00 64.88           C  
-ATOM    480  C   MET A  75      82.427  66.155  94.492  1.00 62.79           C  
-ATOM    481  O   MET A  75      81.421  65.476  94.491  1.00 72.84           O  
-ATOM    482  CB  MET A  75      84.645  64.969  94.330  1.00 53.64           C  
-ATOM    483  CG  MET A  75      85.785  64.482  93.445  1.00 68.92           C  
-ATOM    484  SD  MET A  75      87.025  63.636  94.447  1.00 70.51           S  
-ATOM    485  CE  MET A  75      86.351  61.922  94.314  1.00 90.98           C  
-ATOM    486  N   ASP A  76      82.545  67.242  95.257  1.00 64.68           N  
-ATOM    487  CA  ASP A  76      81.465  67.628  96.192  1.00 64.02           C  
-ATOM    488  C   ASP A  76      81.463  69.138  96.486  1.00 37.33           C  
-ATOM    489  O   ASP A  76      82.056  69.581  97.516  1.00 68.17           O  
-ATOM    490  CB  ASP A  76      81.598  66.839  97.524  1.00 67.67           C  
-ATOM    491  CG  ASP A  76      80.385  67.012  98.482  1.00 85.17           C  
-ATOM    492  OD1 ASP A  76      79.462  67.880  98.271  1.00 93.82           O  
-ATOM    493  OD2 ASP A  76      80.302  66.312  99.525  1.00 71.71           O  
-ATOM    494  N   PRO A  77      80.793  69.906  95.586  1.00 36.17           N  
-ATOM    495  CA  PRO A  77      80.829  71.384  95.614  1.00 53.96           C  
-ATOM    496  C   PRO A  77      80.284  72.004  96.892  1.00 61.19           C  
-ATOM    497  O   PRO A  77      80.585  73.177  97.174  1.00 73.13           O  
-ATOM    498  CB  PRO A  77      79.973  71.791  94.403  1.00 60.46           C  
-ATOM    499  CG  PRO A  77      79.159  70.604  94.083  1.00 56.34           C  
-ATOM    500  CD  PRO A  77      79.985  69.411  94.426  1.00 48.89           C  
-ATOM    501  N   GLU A  78      79.518  71.219  97.650  1.00 64.47           N  
-ATOM    502  CA  GLU A  78      78.986  71.661  98.930  1.00 79.73           C  
-ATOM    503  C   GLU A  78      80.099  71.769  99.976  1.00 68.90           C  
-ATOM    504  O   GLU A  78      80.126  72.714 100.766  1.00 76.57           O  
-ATOM    505  CB  GLU A  78      77.864  70.719  99.406  1.00 82.03           C  
-ATOM    506  CG  GLU A  78      77.004  71.288 100.533  1.00105.90           C  
-ATOM    507  CD  GLU A  78      75.519  71.316 100.180  1.00125.90           C  
-ATOM    508  OE1 GLU A  78      74.923  72.422 100.183  1.00111.26           O  
-ATOM    509  OE2 GLU A  78      74.944  70.232  99.910  1.00127.69           O  
-ATOM    510  N   SER A  79      81.010  70.800  99.969  1.00 62.92           N  
-ATOM    511  CA  SER A  79      82.119  70.756 100.919  1.00 70.48           C  
-ATOM    512  C   SER A  79      83.162  71.832 100.653  1.00 73.54           C  
-ATOM    513  O   SER A  79      83.528  72.583 101.560  1.00 80.64           O  
-ATOM    514  CB  SER A  79      82.816  69.392 100.863  1.00 80.82           C  
-ATOM    515  OG  SER A  79      81.911  68.329 101.143  1.00 85.71           O  
-ATOM    516  N   THR A  80      83.618  71.901  99.399  1.00 58.77           N  
-ATOM    517  CA  THR A  80      84.777  72.709  98.992  1.00 58.13           C  
-ATOM    518  C   THR A  80      84.482  73.722  97.884  1.00 49.78           C  
-ATOM    519  O   THR A  80      84.031  73.341  96.803  1.00 55.72           O  
-ATOM    520  CB  THR A  80      85.836  71.752  98.415  1.00 63.44           C  
-ATOM    521  OG1 THR A  80      86.130  70.726  99.368  1.00 62.61           O  
-ATOM    522  CG2 THR A  80      87.163  72.470  98.171  1.00 47.81           C  
-ATOM    523  N   PRO A  81      84.786  74.998  98.108  1.00 59.49           N  
-ATOM    524  CA  PRO A  81      84.609  76.002  97.053  1.00 57.56           C  
-ATOM    525  C   PRO A  81      85.651  75.881  95.939  1.00 59.46           C  
-ATOM    526  O   PRO A  81      86.708  75.235  96.125  1.00 52.78           O  
-ATOM    527  CB  PRO A  81      84.769  77.325  97.804  1.00 57.78           C  
-ATOM    528  CG  PRO A  81      85.691  77.009  98.896  1.00 55.23           C  
-ATOM    529  CD  PRO A  81      85.314  75.600  99.350  1.00 66.03           C  
-ATOM    530  N   PRO A  82      85.353  76.478  94.783  1.00 57.30           N  
-ATOM    531  CA  PRO A  82      86.317  76.519  93.676  1.00 50.60           C  
-ATOM    532  C   PRO A  82      87.466  77.435  94.003  1.00 57.90           C  
-ATOM    533  O   PRO A  82      87.338  78.312  94.861  1.00 57.60           O  
-ATOM    534  CB  PRO A  82      85.508  77.129  92.521  1.00 65.97           C  
-ATOM    535  CG  PRO A  82      84.413  77.910  93.183  1.00 58.54           C  
-ATOM    536  CD  PRO A  82      84.079  77.141  94.430  1.00 61.37           C  
-ATOM    537  N   THR A  83      88.583  77.240  93.315  1.00 51.10           N  
-ATOM    538  CA  THR A  83      89.650  78.196  93.399  1.00 57.75           C  
-ATOM    539  C   THR A  83      89.200  79.471  92.696  1.00 54.08           C  
-ATOM    540  O   THR A  83      88.107  79.564  92.134  1.00 55.23           O  
-ATOM    541  CB  THR A  83      90.917  77.677  92.709  1.00 59.14           C  
-ATOM    542  OG1 THR A  83      90.588  77.339  91.366  1.00 63.88           O  
-ATOM    543  CG2 THR A  83      91.381  76.383  93.320  1.00 61.26           C  
-ATOM    544  N   CYS A  84      90.096  80.441  92.698  1.00 57.71           N  
-ATOM    545  CA  CYS A  84      89.773  81.750  92.212  1.00 57.07           C  
-ATOM    546  C   CYS A  84      90.726  82.285  91.155  1.00 55.49           C  
-ATOM    547  O   CYS A  84      91.929  82.023  91.207  1.00 51.32           O  
-ATOM    548  CB  CYS A  84      89.817  82.676  93.389  1.00 62.35           C  
-ATOM    549  SG  CYS A  84      88.281  83.515  93.405  1.00 79.57           S  
-ATOM    550  N   CYS A  85      90.167  83.058  90.229  1.00 48.09           N  
-ATOM    551  CA  CYS A  85      90.901  83.650  89.126  1.00 53.34           C  
-ATOM    552  C   CYS A  85      91.620  84.930  89.583  1.00 52.30           C  
-ATOM    553  O   CYS A  85      90.964  85.892  89.936  1.00 57.37           O  
-ATOM    554  CB  CYS A  85      89.896  84.007  88.009  1.00 47.04           C  
-ATOM    555  SG  CYS A  85      90.736  84.605  86.520  1.00 62.59           S  
-ATOM    556  N   VAL A  86      92.951  84.940  89.582  1.00 53.58           N  
-ATOM    557  CA  VAL A  86      93.728  86.067  90.102  1.00 51.62           C  
-ATOM    558  C   VAL A  86      94.997  86.338  89.299  1.00 56.27           C  
-ATOM    559  O   VAL A  86      95.410  85.497  88.531  1.00 53.11           O  
-ATOM    560  CB  VAL A  86      94.155  85.829  91.559  1.00 57.56           C  
-ATOM    561  CG1 VAL A  86      92.933  85.821  92.477  1.00 54.19           C  
-ATOM    562  CG2 VAL A  86      95.036  84.558  91.684  1.00 53.59           C  
-ATOM    563  N   PRO A  87      95.618  87.511  89.467  1.00 61.23           N  
-ATOM    564  CA  PRO A  87      96.881  87.792  88.775  1.00 55.09           C  
-ATOM    565  C   PRO A  87      97.997  86.898  89.257  1.00 59.62           C  
-ATOM    566  O   PRO A  87      98.177  86.791  90.455  1.00 56.98           O  
-ATOM    567  CB  PRO A  87      97.184  89.243  89.162  1.00 54.80           C  
-ATOM    568  CG  PRO A  87      95.807  89.824  89.567  1.00 58.92           C  
-ATOM    569  CD  PRO A  87      95.146  88.673  90.261  1.00 56.24           C  
-ATOM    570  N   THR A  88      98.746  86.288  88.345  1.00 55.76           N  
-ATOM    571  CA  THR A  88      99.896  85.461  88.738  1.00 59.65           C  
-ATOM    572  C   THR A  88     101.223  86.120  88.374  1.00 62.50           C  
-ATOM    573  O   THR A  88     102.267  85.741  88.893  1.00 63.13           O  
-ATOM    574  CB  THR A  88      99.824  84.087  88.072  1.00 55.27           C  
-ATOM    575  OG1 THR A  88      99.618  84.253  86.670  1.00 55.36           O  
-ATOM    576  CG2 THR A  88      98.563  83.353  88.509  1.00 59.62           C  
-ATOM    577  N   ARG A  89     101.181  87.092  87.469  1.00 51.07           N  
-ATOM    578  CA  ARG A  89     102.363  87.883  87.148  1.00 59.89           C  
-ATOM    579  C   ARG A  89     101.943  89.328  87.060  1.00 59.46           C  
-ATOM    580  O   ARG A  89     100.948  89.650  86.421  1.00 58.24           O  
-ATOM    581  CB  ARG A  89     102.932  87.500  85.793  1.00 61.72           C  
-ATOM    582  CG  ARG A  89     103.926  86.361  85.793  1.00 75.48           C  
-ATOM    583  CD  ARG A  89     104.360  85.920  84.376  1.00 79.93           C  
-ATOM    584  NE  ARG A  89     104.914  84.559  84.354  1.00 85.56           N  
-ATOM    585  CZ  ARG A  89     104.187  83.438  84.409  1.00 87.79           C  
-ATOM    586  NH1 ARG A  89     102.861  83.493  84.474  1.00 68.78           N  
-ATOM    587  NH2 ARG A  89     104.786  82.251  84.394  1.00 69.05           N  
-ATOM    588  N   LEU A  90     102.689  90.203  87.712  1.00 60.34           N  
-ATOM    589  CA  LEU A  90     102.419  91.622  87.576  1.00 63.72           C  
-ATOM    590  C   LEU A  90     103.679  92.371  87.215  1.00 59.28           C  
-ATOM    591  O   LEU A  90     104.797  91.885  87.441  1.00 58.70           O  
-ATOM    592  CB  LEU A  90     101.790  92.190  88.848  1.00 65.23           C  
-ATOM    593  CG  LEU A  90     100.493  91.494  89.270  1.00 61.01           C  
-ATOM    594  CD1 LEU A  90     100.730  90.757  90.555  1.00 62.38           C  
-ATOM    595  CD2 LEU A  90      99.364  92.480  89.431  1.00 60.75           C  
-ATOM    596  N   SER A  91     103.502  93.547  86.629  1.00 54.52           N  
-ATOM    597  CA  SER A  91     104.654  94.360  86.255  1.00 57.94           C  
-ATOM    598  C   SER A  91     104.530  95.805  86.768  1.00 53.57           C  
-ATOM    599  O   SER A  91     103.433  96.263  87.120  1.00 59.59           O  
-ATOM    600  CB  SER A  91     104.916  94.258  84.750  1.00 64.58           C  
-ATOM    601  OG  SER A  91     103.821  94.738  83.999  1.00 75.76           O  
-ATOM    602  N   PRO A  92     105.652  96.504  86.899  1.00 61.67           N  
-ATOM    603  CA  PRO A  92     105.608  97.850  87.474  1.00 59.04           C  
-ATOM    604  C   PRO A  92     105.141  98.898  86.473  1.00 45.86           C  
-ATOM    605  O   PRO A  92     105.080  98.619  85.287  1.00 56.80           O  
-ATOM    606  CB  PRO A  92     107.059  98.097  87.866  1.00 51.76           C  
-ATOM    607  CG  PRO A  92     107.853  97.329  86.836  1.00 60.60           C  
-ATOM    608  CD  PRO A  92     107.030  96.105  86.541  1.00 58.28           C  
-ATOM    609  N   ILE A  93     104.753 100.066  86.969  1.00 54.64           N  
-ATOM    610  CA  ILE A  93     104.771 101.266  86.154  1.00 59.10           C  
-ATOM    611  C   ILE A  93     105.516 102.345  86.897  1.00 58.52           C  
-ATOM    612  O   ILE A  93     105.725 102.256  88.116  1.00 53.69           O  
-ATOM    613  CB  ILE A  93     103.367 101.796  85.768  1.00 59.71           C  
-ATOM    614  CG1 ILE A  93     102.569 102.179  87.002  1.00 63.44           C  
-ATOM    615  CG2 ILE A  93     102.627 100.844  84.841  1.00 72.47           C  
-ATOM    616  CD1 ILE A  93     101.518 103.201  86.679  1.00 66.01           C  
-ATOM    617  N   SER A  94     105.910 103.370  86.145  1.00 60.92           N  
-ATOM    618  CA  SER A  94     106.597 104.499  86.712  1.00 54.80           C  
-ATOM    619  C   SER A  94     105.717 105.748  86.634  1.00 56.06           C  
-ATOM    620  O   SER A  94     104.999 105.950  85.653  1.00 57.28           O  
-ATOM    621  CB  SER A  94     107.915 104.705  85.974  1.00 48.32           C  
-ATOM    622  OG  SER A  94     108.832 103.695  86.323  1.00 67.94           O  
-ATOM    623  N   ILE A  95     105.750 106.565  87.683  1.00 45.43           N  
-ATOM    624  CA  ILE A  95     104.954 107.778  87.707  1.00 53.85           C  
-ATOM    625  C   ILE A  95     105.791 109.040  87.856  1.00 48.91           C  
-ATOM    626  O   ILE A  95     106.608 109.145  88.764  1.00 50.09           O  
-ATOM    627  CB  ILE A  95     103.925 107.713  88.856  1.00 51.27           C  
-ATOM    628  CG1 ILE A  95     102.959 106.532  88.654  1.00 64.64           C  
-ATOM    629  CG2 ILE A  95     103.183 109.017  88.925  1.00 49.88           C  
-ATOM    630  CD1 ILE A  95     102.020 106.280  89.843  1.00 60.53           C  
-ATOM    631  N   LEU A  96     105.548 110.001  86.975  1.00 52.50           N  
-ATOM    632  CA  LEU A  96     106.269 111.264  86.984  1.00 51.97           C  
-ATOM    633  C   LEU A  96     105.420 112.278  87.706  1.00 54.73           C  
-ATOM    634  O   LEU A  96     104.287 112.541  87.297  1.00 52.54           O  
-ATOM    635  CB  LEU A  96     106.591 111.732  85.554  1.00 50.55           C  
-ATOM    636  CG  LEU A  96     107.461 112.983  85.389  1.00 51.73           C  
-ATOM    637  CD1 LEU A  96     108.909 112.675  85.758  1.00 59.21           C  
-ATOM    638  CD2 LEU A  96     107.408 113.511  83.967  1.00 44.35           C  
-ATOM    639  N   PHE A  97     105.961 112.835  88.790  1.00 48.48           N  
-ATOM    640  CA  PHE A  97     105.234 113.816  89.585  1.00 54.61           C  
-ATOM    641  C   PHE A  97     106.158 114.815  90.269  1.00 56.45           C  
-ATOM    642  O   PHE A  97     107.369 114.600  90.386  1.00 61.34           O  
-ATOM    643  CB  PHE A  97     104.339 113.139  90.640  1.00 50.29           C  
-ATOM    644  CG  PHE A  97     105.097 112.329  91.640  1.00 49.49           C  
-ATOM    645  CD1 PHE A  97     105.526 112.897  92.827  1.00 53.93           C  
-ATOM    646  CD2 PHE A  97     105.410 110.999  91.389  1.00 59.83           C  
-ATOM    647  CE1 PHE A  97     106.232 112.140  93.769  1.00 56.20           C  
-ATOM    648  CE2 PHE A  97     106.134 110.247  92.315  1.00 54.88           C  
-ATOM    649  CZ  PHE A  97     106.529 110.816  93.508  1.00 49.48           C  
-ATOM    650  N   ILE A  98     105.552 115.907  90.718  1.00 51.47           N  
-ATOM    651  CA  ILE A  98     106.209 116.925  91.511  1.00 56.29           C  
-ATOM    652  C   ILE A  98     105.906 116.652  92.982  1.00 57.76           C  
-ATOM    653  O   ILE A  98     104.759 116.466  93.343  1.00 64.45           O  
-ATOM    654  CB  ILE A  98     105.659 118.284  91.069  1.00 62.92           C  
-ATOM    655  CG1 ILE A  98     106.326 118.692  89.760  1.00 58.40           C  
-ATOM    656  CG2 ILE A  98     105.867 119.354  92.133  1.00 80.76           C  
-ATOM    657  CD1 ILE A  98     105.369 119.269  88.798  1.00 80.83           C  
-ATOM    658  N   ASP A  99     106.921 116.599  93.832  1.00 61.19           N  
-ATOM    659  CA  ASP A  99     106.655 116.420  95.255  1.00 62.00           C  
-ATOM    660  C   ASP A  99     106.409 117.768  95.940  1.00 61.98           C  
-ATOM    661  O   ASP A  99     106.396 118.806  95.273  1.00 60.77           O  
-ATOM    662  CB  ASP A  99     107.748 115.580  95.943  1.00 56.45           C  
-ATOM    663  CG  ASP A  99     109.118 116.276  95.981  1.00 72.86           C  
-ATOM    664  OD1 ASP A  99     109.242 117.483  95.647  1.00 59.27           O  
-ATOM    665  OD2 ASP A  99     110.149 115.667  96.340  1.00 65.33           O  
-ATOM    666  N   SER A 100     106.204 117.750  97.259  1.00 77.41           N  
-ATOM    667  CA  SER A 100     105.963 118.972  98.045  1.00 69.10           C  
-ATOM    668  C   SER A 100     107.121 119.973  97.988  1.00 81.79           C  
-ATOM    669  O   SER A 100     106.901 121.194  97.908  1.00 80.99           O  
-ATOM    670  CB  SER A 100     105.673 118.618  99.506  1.00 67.96           C  
-ATOM    671  OG  SER A 100     105.766 117.209  99.708  1.00 92.00           O  
-ATOM    672  N   ALA A 101     108.350 119.453  98.034  1.00 79.98           N  
-ATOM    673  CA  ALA A 101     109.553 120.284  97.927  1.00 74.28           C  
-ATOM    674  C   ALA A 101     109.740 120.843  96.514  1.00 75.86           C  
-ATOM    675  O   ALA A 101     110.662 121.627  96.269  1.00 68.21           O  
-ATOM    676  CB  ALA A 101     110.785 119.495  98.354  1.00 72.02           C  
-ATOM    677  N   ASN A 102     108.877 120.424  95.583  1.00 64.78           N  
-ATOM    678  CA  ASN A 102     108.925 120.943  94.225  1.00 69.61           C  
-ATOM    679  C   ASN A 102     110.030 120.299  93.372  1.00 50.35           C  
-ATOM    680  O   ASN A 102     110.515 120.884  92.400  1.00 56.07           O  
-ATOM    681  CB  ASN A 102     109.073 122.468  94.258  1.00 64.49           C  
-ATOM    682  CG  ASN A 102     108.411 123.132  93.093  1.00 93.57           C  
-ATOM    683  OD1 ASN A 102     107.250 122.835  92.777  1.00 87.22           O  
-ATOM    684  ND2 ASN A 102     109.142 124.033  92.428  1.00 73.55           N  
-ATOM    685  N   ASN A 103     110.434 119.100  93.773  1.00 53.69           N  
-ATOM    686  CA  ASN A 103     111.342 118.282  92.993  1.00 53.94           C  
-ATOM    687  C   ASN A 103     110.537 117.467  91.994  1.00 58.57           C  
-ATOM    688  O   ASN A 103     109.425 117.037  92.306  1.00 48.91           O  
-ATOM    689  CB  ASN A 103     112.110 117.318  93.900  1.00 47.08           C  
-ATOM    690  CG  ASN A 103     112.905 118.029  94.973  1.00 45.70           C  
-ATOM    691  OD1 ASN A 103     113.324 119.172  94.803  1.00 48.34           O  
-ATOM    692  ND2 ASN A 103     113.136 117.342  96.081  1.00 60.77           N  
-ATOM    693  N   VAL A 104     111.104 117.259  90.803  1.00 55.58           N  
-ATOM    694  CA  VAL A 104     110.514 116.350  89.822  1.00 44.02           C  
-ATOM    695  C   VAL A 104     111.008 114.942  90.074  1.00 41.72           C  
-ATOM    696  O   VAL A 104     112.183 114.637  89.906  1.00 39.01           O  
-ATOM    697  CB  VAL A 104     110.806 116.768  88.367  1.00 49.78           C  
-ATOM    698  CG1 VAL A 104     109.934 115.987  87.416  1.00 44.84           C  
-ATOM    699  CG2 VAL A 104     110.596 118.273  88.177  1.00 46.64           C  
-ATOM    700  N   VAL A 105     110.073 114.075  90.456  1.00 46.70           N  
-ATOM    701  CA  VAL A 105     110.370 112.704  90.813  1.00 39.55           C  
-ATOM    702  C   VAL A 105     109.805 111.769  89.755  1.00 51.66           C  
-ATOM    703  O   VAL A 105     108.733 112.020  89.195  1.00 53.58           O  
-ATOM    704  CB  VAL A 105     109.726 112.359  92.193  1.00 50.67           C  
-ATOM    705  CG1 VAL A 105     110.202 111.018  92.685  1.00 53.37           C  
-ATOM    706  CG2 VAL A 105     110.082 113.431  93.227  1.00 56.45           C  
-ATOM    707  N   TYR A 106     110.517 110.678  89.496  1.00 51.08           N  
-ATOM    708  CA  TYR A 106     110.034 109.655  88.596  1.00 50.02           C  
-ATOM    709  C   TYR A 106     110.217 108.345  89.308  1.00 58.57           C  
-ATOM    710  O   TYR A 106     111.337 107.830  89.374  1.00 59.68           O  
-ATOM    711  CB  TYR A 106     110.831 109.653  87.285  1.00 52.00           C  
-ATOM    712  CG  TYR A 106     110.290 108.582  86.289  1.00 47.97           C  
-ATOM    713  CD1 TYR A 106     108.909 108.233  86.190  1.00 43.34           C  
-ATOM    714  CD2 TYR A 106     111.198 108.035  85.356  1.00 47.75           C  
-ATOM    715  CE1 TYR A 106     108.392 107.290  85.265  1.00 40.44           C  
-ATOM    716  CE2 TYR A 106     110.653 106.928  84.412  1.00 86.78           C  
-ATOM    717  CZ  TYR A 106     109.222 106.618  84.407  1.00 56.69           C  
-ATOM    718  OH  TYR A 106     108.668 105.737  83.482  1.00 71.53           O  
-ATOM    719  N   LYS A 107     109.117 107.805  89.833  1.00 54.22           N  
-ATOM    720  CA  LYS A 107     109.166 106.666  90.744  1.00 62.20           C  
-ATOM    721  C   LYS A 107     108.467 105.409  90.211  1.00 62.85           C  
-ATOM    722  O   LYS A 107     107.373 105.464  89.623  1.00 51.00           O  
-ATOM    723  CB  LYS A 107     108.585 107.044  92.111  1.00 58.49           C  
-ATOM    724  CG  LYS A 107     109.093 106.170  93.262  1.00 75.18           C  
-ATOM    725  CD  LYS A 107     108.401 106.495  94.600  1.00 73.02           C  
-ATOM    726  CE  LYS A 107     108.184 105.228  95.464  1.00 90.58           C  
-ATOM    727  NZ  LYS A 107     109.361 104.288  95.486  1.00 70.58           N  
-ATOM    728  N   GLN A 108     109.132 104.279  90.394  1.00 51.11           N  
-ATOM    729  CA  GLN A 108     108.565 103.012  89.995  1.00 59.51           C  
-ATOM    730  C   GLN A 108     107.714 102.421  91.115  1.00 57.10           C  
-ATOM    731  O   GLN A 108     108.115 102.381  92.279  1.00 58.25           O  
-ATOM    732  CB  GLN A 108     109.649 102.030  89.605  1.00 61.90           C  
-ATOM    733  CG  GLN A 108     109.134 100.939  88.714  1.00 68.42           C  
-ATOM    734  CD  GLN A 108     110.228 100.031  88.239  1.00 65.54           C  
-ATOM    735  OE1 GLN A 108     110.716  99.192  88.996  1.00 70.23           O  
-ATOM    736  NE2 GLN A 108     110.617 100.185  86.983  1.00 64.36           N  
-ATOM    737  N   TYR A 109     106.525 101.981  90.743  1.00 54.30           N  
-ATOM    738  CA  TYR A 109     105.648 101.286  91.666  1.00 53.25           C  
-ATOM    739  C   TYR A 109     105.491  99.864  91.184  1.00 49.56           C  
-ATOM    740  O   TYR A 109     105.131  99.641  90.030  1.00 54.66           O  
-ATOM    741  CB  TYR A 109     104.292 101.992  91.718  1.00 55.41           C  
-ATOM    742  CG  TYR A 109     104.420 103.350  92.341  1.00 53.30           C  
-ATOM    743  CD1 TYR A 109     104.725 104.457  91.557  1.00 61.97           C  
-ATOM    744  CD2 TYR A 109     104.318 103.522  93.710  1.00 56.14           C  
-ATOM    745  CE1 TYR A 109     104.889 105.708  92.116  1.00 61.47           C  
-ATOM    746  CE2 TYR A 109     104.482 104.770  94.286  1.00 58.07           C  
-ATOM    747  CZ  TYR A 109     104.759 105.857  93.479  1.00 55.02           C  
-ATOM    748  OH  TYR A 109     104.927 107.100  94.034  1.00 69.56           O  
-ATOM    749  N   GLU A 110     105.762  98.902  92.068  1.00 57.42           N  
-ATOM    750  CA  GLU A 110     105.620  97.489  91.721  1.00 55.96           C  
-ATOM    751  C   GLU A 110     104.151  97.052  91.668  1.00 55.99           C  
-ATOM    752  O   GLU A 110     103.286  97.695  92.277  1.00 59.93           O  
-ATOM    753  CB  GLU A 110     106.377  96.619  92.727  1.00 52.84           C  
-ATOM    754  CG  GLU A 110     107.825  97.042  92.946  1.00 64.91           C  
-ATOM    755  CD  GLU A 110     108.654  96.971  91.675  1.00 68.58           C  
-ATOM    756  OE1 GLU A 110     108.672  95.898  91.029  1.00 73.84           O  
-ATOM    757  OE2 GLU A 110     109.283  97.995  91.319  1.00 74.79           O  
-ATOM    758  N   ASP A 111     103.885  95.970  90.932  1.00 51.18           N  
-ATOM    759  CA  ASP A 111     102.604  95.262  90.950  1.00 53.61           C  
-ATOM    760  C   ASP A 111     101.442  96.127  90.533  1.00 58.99           C  
-ATOM    761  O   ASP A 111     100.421  96.149  91.215  1.00 55.84           O  
-ATOM    762  CB  ASP A 111     102.306  94.698  92.348  1.00 62.05           C  
-ATOM    763  CG  ASP A 111     103.423  93.813  92.859  1.00 70.68           C  
-ATOM    764  OD1 ASP A 111     103.948  93.013  92.054  1.00 61.62           O  
-ATOM    765  OD2 ASP A 111     103.857  93.877  94.026  1.00 67.17           O  
-ATOM    766  N   MET A 112     101.587  96.812  89.407  1.00 56.59           N  
-ATOM    767  CA  MET A 112     100.567  97.730  88.957  1.00 54.51           C  
-ATOM    768  C   MET A 112      99.738  97.203  87.798  1.00 49.82           C  
-ATOM    769  O   MET A 112      98.576  97.563  87.662  1.00 55.76           O  
-ATOM    770  CB  MET A 112     101.216  99.074  88.582  1.00 61.22           C  
-ATOM    771  CG  MET A 112     101.816  99.816  89.777  1.00 47.81           C  
-ATOM    772  SD  MET A 112     100.582 100.451  90.901  1.00 59.05           S  
-ATOM    773  CE  MET A 112     100.162 102.012  90.093  1.00 58.66           C  
-ATOM    774  N   VAL A 113     100.338  96.361  86.966  1.00 47.65           N  
-ATOM    775  CA  VAL A 113      99.695  95.910  85.734  1.00 52.80           C  
-ATOM    776  C   VAL A 113      99.656  94.386  85.757  1.00 62.59           C  
-ATOM    777  O   VAL A 113     100.678  93.743  85.995  1.00 56.72           O  
-ATOM    778  CB  VAL A 113     100.480  96.388  84.478  1.00 54.99           C  
-ATOM    779  CG1 VAL A 113      99.829  95.913  83.189  1.00 46.22           C  
-ATOM    780  CG2 VAL A 113     100.576  97.894  84.451  1.00 51.42           C  
-ATOM    781  N   VAL A 114      98.478  93.814  85.536  1.00 55.02           N  
-ATOM    782  CA  VAL A 114      98.344  92.375  85.449  1.00 54.13           C  
-ATOM    783  C   VAL A 114      98.929  91.890  84.128  1.00 53.75           C  
-ATOM    784  O   VAL A 114      98.506  92.345  83.063  1.00 58.37           O  
-ATOM    785  CB  VAL A 114      96.871  91.942  85.558  1.00 63.53           C  
-ATOM    786  CG1 VAL A 114      96.721  90.431  85.304  1.00 60.37           C  
-ATOM    787  CG2 VAL A 114      96.323  92.316  86.914  1.00 50.36           C  
-ATOM    788  N   GLU A 115      99.916  90.992  84.188  1.00 51.55           N  
-ATOM    789  CA  GLU A 115     100.455  90.412  82.947  1.00 58.65           C  
-ATOM    790  C   GLU A 115      99.885  89.040  82.634  1.00 57.65           C  
-ATOM    791  O   GLU A 115      99.776  88.675  81.469  1.00 69.45           O  
-ATOM    792  CB  GLU A 115     101.984  90.379  82.938  1.00 56.88           C  
-ATOM    793  CG  GLU A 115     102.658  91.734  83.143  1.00 72.61           C  
-ATOM    794  CD  GLU A 115     102.635  92.675  81.925  1.00 78.54           C  
-ATOM    795  OE1 GLU A 115     101.966  92.396  80.906  1.00 72.04           O  
-ATOM    796  OE2 GLU A 115     103.301  93.733  81.990  1.00 73.29           O  
-ATOM    797  N   SER A 116      99.526  88.278  83.663  1.00 55.72           N  
-ATOM    798  CA  SER A 116      98.899  86.977  83.459  1.00 57.91           C  
-ATOM    799  C   SER A 116      97.949  86.622  84.598  1.00 50.20           C  
-ATOM    800  O   SER A 116      98.148  87.046  85.731  1.00 57.24           O  
-ATOM    801  CB  SER A 116      99.952  85.863  83.258  1.00 59.52           C  
-ATOM    802  OG  SER A 116     100.650  85.601  84.466  1.00 64.44           O  
-ATOM    803  N   CYS A 117      96.910  85.859  84.252  1.00 59.03           N  
-ATOM    804  CA  CYS A 117      95.878  85.400  85.175  1.00 56.44           C  
-ATOM    805  C   CYS A 117      96.023  83.897  85.421  1.00 63.61           C  
-ATOM    806  O   CYS A 117      96.603  83.163  84.612  1.00 59.81           O  
-ATOM    807  CB  CYS A 117      94.474  85.729  84.626  1.00 53.65           C  
-ATOM    808  SG  CYS A 117      94.067  87.517  84.714  1.00 76.83           S  
-ATOM    809  N   GLY A 118      95.517  83.436  86.553  1.00 56.22           N  
-ATOM    810  CA  GLY A 118      95.597  82.027  86.865  1.00 58.67           C  
-ATOM    811  C   GLY A 118      94.617  81.673  87.951  1.00 58.91           C  
-ATOM    812  O   GLY A 118      94.077  82.549  88.623  1.00 54.53           O  
-ATOM    813  N   CYS A 119      94.399  80.379  88.116  1.00 54.07           N  
-ATOM    814  CA  CYS A 119      93.459  79.862  89.094  1.00 64.76           C  
-ATOM    815  C   CYS A 119      94.253  79.485  90.327  1.00 54.82           C  
-ATOM    816  O   CYS A 119      95.243  78.751  90.225  1.00 66.27           O  
-ATOM    817  CB  CYS A 119      92.702  78.654  88.504  1.00 58.96           C  
-ATOM    818  SG  CYS A 119      91.365  79.233  87.399  1.00 68.25           S  
-ATOM    819  N   ARG A 120      93.855  80.016  91.479  1.00 58.10           N  
-ATOM    820  CA  ARG A 120      94.612  79.832  92.715  1.00 57.02           C  
-ATOM    821  C   ARG A 120      93.758  79.531  93.946  1.00 68.39           C  
-ATOM    822  O   ARG A 120      94.261  78.795  94.815  1.00 67.47           O  
-ATOM    823  CB  ARG A 120      95.521  81.032  93.005  1.00 55.09           C  
-ATOM    824  CG  ARG A 120      96.635  81.286  91.965  1.00 59.51           C  
-ATOM    825  CD  ARG A 120      97.796  80.315  92.100  1.00 72.03           C  
-ATOM    826  NE  ARG A 120      98.961  80.555  91.244  1.00 61.97           N  
-ATOM    827  CZ  ARG A 120      99.062  80.123  89.991  1.00 72.64           C  
-ATOM    828  NH1 ARG A 120      98.045  79.484  89.421  1.00 71.46           N  
-ATOM    829  NH2 ARG A 120     100.171  80.334  89.294  1.00 63.33           N  
-ATOM    830  OXT ARG A 120      92.619  80.014  94.121  1.00 67.98           O  

Deleted: SwiftApps/modFTDock/input/1zt3-1.pdb
===================================================================
--- SwiftApps/modFTDock/input/1zt3-1.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/1zt3-1.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,642 +0,0 @@
-ATOM      1  N   TRP A 172     -39.136 -21.997  24.415  1.00 34.43           N  
-ATOM      2  CA  TRP A 172     -40.108 -20.907  24.729  1.00 34.28           C  
-ATOM      3  C   TRP A 172     -41.403 -21.065  23.944  1.00 33.46           C  
-ATOM      4  O   TRP A 172     -41.385 -21.496  22.789  1.00 33.48           O  
-ATOM      5  CB  TRP A 172     -39.506 -19.534  24.418  1.00 35.12           C  
-ATOM      6  CG  TRP A 172     -38.161 -19.292  25.025  1.00 36.34           C  
-ATOM      7  CD1 TRP A 172     -37.773 -19.568  26.306  1.00 37.69           C  
-ATOM      8  CD2 TRP A 172     -37.032 -18.693  24.384  1.00 37.47           C  
-ATOM      9  NE1 TRP A 172     -36.465 -19.190  26.497  1.00 37.97           N  
-ATOM     10  CE2 TRP A 172     -35.985 -18.650  25.334  1.00 37.83           C  
-ATOM     11  CE3 TRP A 172     -36.799 -18.192  23.097  1.00 37.57           C  
-ATOM     12  CZ2 TRP A 172     -34.725 -18.128  25.037  1.00 37.51           C  
-ATOM     13  CZ3 TRP A 172     -35.545 -17.671  22.802  1.00 37.85           C  
-ATOM     14  CH2 TRP A 172     -34.523 -17.646  23.769  1.00 37.43           C  
-ATOM     15  N   LYS A 173     -42.516 -20.697  24.576  1.00 32.18           N  
-ATOM     16  CA  LYS A 173     -43.842 -20.728  23.949  1.00 31.37           C  
-ATOM     17  C   LYS A 173     -44.028 -19.604  22.914  1.00 29.85           C  
-ATOM     18  O   LYS A 173     -44.831 -19.725  21.976  1.00 30.15           O  
-ATOM     19  CB  LYS A 173     -44.935 -20.645  25.024  1.00 31.31           C  
-ATOM     20  CG  LYS A 173     -46.343 -20.964  24.519  1.00 32.53           C  
-ATOM     21  CD  LYS A 173     -47.425 -20.459  25.479  1.00 32.89           C  
-ATOM     22  CE  LYS A 173     -48.818 -20.684  24.901  1.00 33.96           C  
-ATOM     23  NZ  LYS A 173     -49.893 -20.189  25.806  1.00 34.66           N  
-ATOM     24  N   GLU A 174     -43.280 -18.518  23.090  1.00 27.67           N  
-ATOM     25  CA  GLU A 174     -43.337 -17.366  22.191  1.00 25.77           C  
-ATOM     26  C   GLU A 174     -41.922 -17.014  21.728  1.00 23.54           C  
-ATOM     27  O   GLU A 174     -41.381 -15.977  22.138  1.00 23.23           O  
-ATOM     28  CB  GLU A 174     -43.933 -16.148  22.913  1.00 25.76           C  
-ATOM     29  CG  GLU A 174     -45.376 -16.258  23.359  1.00 26.89           C  
-ATOM     30  CD  GLU A 174     -45.777 -15.061  24.206  1.00 27.42           C  
-ATOM     31  OE1 GLU A 174     -46.102 -14.001  23.639  1.00 29.42           O  
-ATOM     32  OE2 GLU A 174     -45.756 -15.182  25.445  1.00 30.63           O  
-ATOM     33  N   PRO A 175     -41.313 -17.867  20.872  1.00 21.55           N  
-ATOM     34  CA  PRO A 175     -39.891 -17.705  20.564  1.00 20.10           C  
-ATOM     35  C   PRO A 175     -39.565 -16.385  19.866  1.00 18.58           C  
-ATOM     36  O   PRO A 175     -38.520 -15.781  20.142  1.00 18.18           O  
-ATOM     37  CB  PRO A 175     -39.594 -18.893  19.632  1.00 20.52           C  
-ATOM     38  CG  PRO A 175     -40.909 -19.247  19.043  1.00 19.77           C  
-ATOM     39  CD  PRO A 175     -41.896 -19.015  20.148  1.00 21.28           C  
-ATOM     40  N   CYS A 176     -40.455 -15.942  18.986  1.00 16.73           N  
-ATOM     41  CA  CYS A 176     -40.212 -14.710  18.226  1.00 16.80           C  
-ATOM     42  C   CYS A 176     -40.222 -13.501  19.159  1.00 16.78           C  
-ATOM     43  O   CYS A 176     -39.363 -12.626  19.053  1.00 16.20           O  
-ATOM     44  CB  CYS A 176     -41.244 -14.528  17.116  1.00 16.50           C  
-ATOM     45  SG  CYS A 176     -40.885 -13.084  16.044  1.00 15.20           S  
-ATOM     46  N   ARG A 177     -41.200 -13.469  20.062  1.00 17.53           N  
-ATOM     47  CA  ARG A 177     -41.351 -12.338  20.984  1.00 18.15           C  
-ATOM     48  C   ARG A 177     -40.135 -12.196  21.880  1.00 18.13           C  
-ATOM     49  O   ARG A 177     -39.608 -11.088  22.053  1.00 17.51           O  
-ATOM     50  CB  ARG A 177     -42.634 -12.450  21.807  1.00 18.62           C  
-ATOM     51  CG  ARG A 177     -42.872 -11.237  22.713  1.00 20.72           C  
-ATOM     52  CD  ARG A 177     -44.227 -11.292  23.368  1.00 22.66           C  
-ATOM     53  NE  ARG A 177     -44.366 -10.263  24.391  1.00 24.94           N  
-ATOM     54  CZ  ARG A 177     -43.848 -10.348  25.616  1.00 25.91           C  
-ATOM     55  NH1 ARG A 177     -43.147 -11.413  25.983  1.00 25.04           N  
-ATOM     56  NH2 ARG A 177     -44.030  -9.360  26.477  1.00 26.28           N  
-ATOM     57  N   ILE A 178     -39.676 -13.324  22.435  1.00 18.26           N  
-ATOM     58  CA  ILE A 178     -38.446 -13.332  23.221  1.00 18.88           C  
-ATOM     59  C   ILE A 178     -37.252 -12.846  22.394  1.00 18.95           C  
-ATOM     60  O   ILE A 178     -36.503 -11.962  22.843  1.00 19.62           O  
-ATOM     61  CB  ILE A 178     -38.154 -14.721  23.862  1.00 18.59           C  
-ATOM     62  CG1 ILE A 178     -39.319 -15.180  24.759  1.00 18.73           C  
-ATOM     63  CG2 ILE A 178     -36.838 -14.687  24.621  1.00 19.59           C  
-ATOM     64  CD1 ILE A 178     -39.754 -14.186  25.865  1.00 20.15           C  
-ATOM     65  N   GLU A 179     -37.088 -13.386  21.187  1.00 19.21           N  
-ATOM     66  CA  GLU A 179     -35.993 -12.950  20.327  1.00 19.54           C  
-ATOM     67  C   GLU A 179     -36.080 -11.449  20.043  1.00 19.29           C  
-ATOM     68  O   GLU A 179     -35.075 -10.745  20.146  1.00 19.32           O  
-ATOM     69  CB  GLU A 179     -35.948 -13.726  19.020  1.00 19.69           C  
-ATOM     70  CG  GLU A 179     -34.670 -13.469  18.245  1.00 21.79           C  
-ATOM     71  CD  GLU A 179     -34.657 -14.096  16.879  1.00 24.88           C  
-ATOM     72  OE1 GLU A 179     -33.547 -14.390  16.389  1.00 26.52           O  
-ATOM     73  OE2 GLU A 179     -35.742 -14.303  16.292  1.00 27.10           O  
-ATOM     74  N   LEU A 180     -37.277 -10.979  19.702  1.00 19.29           N  
-ATOM     75  CA  LEU A 180     -37.497  -9.560  19.389  1.00 19.26           C  
-ATOM     76  C   LEU A 180     -36.979  -8.650  20.508  1.00 19.08           C  
-ATOM     77  O   LEU A 180     -36.226  -7.704  20.241  1.00 18.14           O  
-ATOM     78  CB  LEU A 180     -38.974  -9.273  19.106  1.00 19.11           C  
-ATOM     79  CG  LEU A 180     -39.319  -7.798  18.847  1.00 19.07           C  
-ATOM     80  CD1 LEU A 180     -38.510  -7.233  17.675  1.00 21.29           C  
-ATOM     81  CD2 LEU A 180     -40.830  -7.649  18.614  1.00 19.74           C  
-ATOM     82  N   TYR A 181     -37.358  -8.954  21.751  1.00 19.10           N  
-ATOM     83  CA  TYR A 181     -36.842  -8.229  22.914  1.00 19.73           C  
-ATOM     84  C   TYR A 181     -35.318  -8.230  22.972  1.00 19.86           C  
-ATOM     85  O   TYR A 181     -34.698  -7.175  23.148  1.00 19.98           O  
-ATOM     86  CB  TYR A 181     -37.467  -8.751  24.227  1.00 20.16           C  
-ATOM     87  CG  TYR A 181     -38.814  -8.123  24.527  1.00 20.84           C  
-ATOM     88  CD1 TYR A 181     -38.915  -7.004  25.358  1.00 21.48           C  
-ATOM     89  CD2 TYR A 181     -39.990  -8.645  23.977  1.00 20.81           C  
-ATOM     90  CE1 TYR A 181     -40.147  -6.422  25.633  1.00 22.34           C  
-ATOM     91  CE2 TYR A 181     -41.230  -8.068  24.244  1.00 21.91           C  
-ATOM     92  CZ  TYR A 181     -41.300  -6.959  25.082  1.00 22.24           C  
-ATOM     93  OH  TYR A 181     -42.516  -6.373  25.347  1.00 22.89           O  
-ATOM     94  N   ARG A 182     -34.717  -9.406  22.797  1.00 19.68           N  
-ATOM     95  CA  ARG A 182     -33.268  -9.544  22.849  1.00 20.05           C  
-ATOM     96  C   ARG A 182     -32.593  -8.739  21.743  1.00 19.42           C  
-ATOM     97  O   ARG A 182     -31.576  -8.072  21.990  1.00 19.22           O  
-ATOM     98  CB  ARG A 182     -32.874 -11.019  22.769  1.00 20.66           C  
-ATOM     99  CG  ARG A 182     -33.592 -11.864  23.806  1.00 23.33           C  
-ATOM    100  CD  ARG A 182     -32.691 -12.324  24.917  1.00 31.08           C  
-ATOM    101  NE  ARG A 182     -32.238 -13.693  24.676  1.00 34.53           N  
-ATOM    102  CZ  ARG A 182     -32.720 -14.777  25.285  1.00 36.34           C  
-ATOM    103  NH1 ARG A 182     -33.684 -14.685  26.205  1.00 37.09           N  
-ATOM    104  NH2 ARG A 182     -32.223 -15.966  24.975  1.00 37.59           N  
-ATOM    105  N   VAL A 183     -33.164  -8.795  20.537  1.00 18.69           N  
-ATOM    106  CA  VAL A 183     -32.586  -8.101  19.374  1.00 18.83           C  
-ATOM    107  C   VAL A 183     -32.670  -6.583  19.560  1.00 18.48           C  
-ATOM    108  O   VAL A 183     -31.693  -5.875  19.310  1.00 18.13           O  
-ATOM    109  CB  VAL A 183     -33.244  -8.550  18.037  1.00 18.63           C  
-ATOM    110  CG1 VAL A 183     -32.873  -7.606  16.895  1.00 19.70           C  
-ATOM    111  CG2 VAL A 183     -32.804  -9.975  17.689  1.00 18.64           C  
-ATOM    112  N   VAL A 184     -33.822  -6.106  20.034  1.00 18.63           N  
-ATOM    113  CA  VAL A 184     -34.017  -4.667  20.304  1.00 19.03           C  
-ATOM    114  C   VAL A 184     -32.987  -4.148  21.330  1.00 19.24           C  
-ATOM    115  O   VAL A 184     -32.377  -3.081  21.136  1.00 18.61           O  
-ATOM    116  CB  VAL A 184     -35.483  -4.352  20.725  1.00 19.12           C  
-ATOM    117  CG1 VAL A 184     -35.606  -2.937  21.314  1.00 20.37           C  
-ATOM    118  CG2 VAL A 184     -36.407  -4.486  19.532  1.00 18.87           C  
-ATOM    119  N   GLU A 185     -32.767  -4.919  22.395  1.00 19.25           N  
-ATOM    120  CA  GLU A 185     -31.793  -4.545  23.423  1.00 20.57           C  
-ATOM    121  C   GLU A 185     -30.359  -4.498  22.870  1.00 20.10           C  
-ATOM    122  O   GLU A 185     -29.614  -3.546  23.140  1.00 19.76           O  
-ATOM    123  CB  GLU A 185     -31.888  -5.488  24.630  1.00 20.14           C  
-ATOM    124  CG  GLU A 185     -30.953  -5.110  25.786  1.00 22.36           C  
-ATOM    125  CD  GLU A 185     -31.034  -6.061  26.975  1.00 22.80           C  
-ATOM    126  OE1 GLU A 185     -31.853  -7.002  26.951  1.00 27.18           O  
-ATOM    127  OE2 GLU A 185     -30.273  -5.858  27.948  1.00 27.24           O  
-ATOM    128  N   SER A 186     -29.973  -5.517  22.106  1.00 19.89           N  
-ATOM    129  CA  SER A 186     -28.627  -5.563  21.508  1.00 20.02           C  
-ATOM    130  C   SER A 186     -28.397  -4.432  20.505  1.00 19.66           C  
-ATOM    131  O   SER A 186     -27.329  -3.816  20.487  1.00 18.81           O  
-ATOM    132  CB  SER A 186     -28.373  -6.909  20.830  1.00 20.39           C  
-ATOM    133  OG  SER A 186     -28.358  -7.942  21.792  1.00 23.17           O  
-ATOM    134  N   LEU A 187     -29.406  -4.171  19.676  1.00 19.21           N  
-ATOM    135  CA  LEU A 187     -29.344  -3.070  18.706  1.00 19.74           C  
-ATOM    136  C   LEU A 187     -29.183  -1.718  19.393  1.00 19.37           C  
-ATOM    137  O   LEU A 187     -28.362  -0.905  18.973  1.00 19.34           O  
-ATOM    138  CB  LEU A 187     -30.593  -3.047  17.833  1.00 19.81           C  
-ATOM    139  CG  LEU A 187     -30.623  -3.969  16.619  1.00 21.86           C  
-ATOM    140  CD1 LEU A 187     -32.032  -3.991  16.073  1.00 24.65           C  
-ATOM    141  CD2 LEU A 187     -29.626  -3.520  15.538  1.00 24.78           C  
-ATOM    142  N   ALA A 188     -29.985  -1.490  20.431  1.00 19.16           N  
-ATOM    143  CA  ALA A 188     -29.906  -0.273  21.249  1.00 19.62           C  
-ATOM    144  C   ALA A 188     -28.484  -0.122  21.790  1.00 19.76           C  
-ATOM    145  O   ALA A 188     -27.877   0.958  21.708  1.00 19.78           O  
-ATOM    146  CB  ALA A 188     -30.914  -0.334  22.398  1.00 19.86           C  
-ATOM    147  N   LYS A 189     -27.943  -1.219  22.313  1.00 19.72           N  
-ATOM    148  CA  LYS A 189     -26.592  -1.220  22.859  1.00 19.83           C  
-ATOM    149  C   LYS A 189     -25.535  -0.931  21.783  1.00 19.51           C  
-ATOM    150  O   LYS A 189     -24.637  -0.121  22.008  1.00 19.20           O  
-ATOM    151  CB  LYS A 189     -26.300  -2.544  23.584  1.00 19.67           C  
-ATOM    152  CG  LYS A 189     -24.980  -2.573  24.353  1.00 21.18           C  
-ATOM    153  CD  LYS A 189     -24.991  -1.568  25.500  1.00 23.97           C  
-ATOM    154  CE  LYS A 189     -23.703  -1.601  26.298  1.00 25.23           C  
-ATOM    155  NZ  LYS A 189     -23.673  -0.401  27.204  1.00 25.98           N  
-ATOM    156  N   ALA A 190     -25.651  -1.581  20.618  1.00 19.73           N  
-ATOM    157  CA  ALA A 190     -24.689  -1.402  19.528  1.00 20.13           C  
-ATOM    158  C   ALA A 190     -24.697   0.033  19.011  1.00 20.31           C  
-ATOM    159  O   ALA A 190     -23.654   0.575  18.652  1.00 20.46           O  
-ATOM    160  CB  ALA A 190     -24.972  -2.370  18.386  1.00 20.01           C  
-ATOM    161  N   GLN A 191     -25.879   0.633  18.973  1.00 20.86           N  
-ATOM    162  CA  GLN A 191     -26.024   2.004  18.459  1.00 22.02           C  
-ATOM    163  C   GLN A 191     -25.233   3.028  19.288  1.00 21.64           C  
-ATOM    164  O   GLN A 191     -24.787   4.046  18.754  1.00 21.77           O  
-ATOM    165  CB  GLN A 191     -27.500   2.393  18.374  1.00 22.25           C  
-ATOM    166  CG  GLN A 191     -28.199   1.933  17.086  1.00 25.97           C  
-ATOM    167  CD  GLN A 191     -27.735   2.695  15.851  1.00 30.74           C  
-ATOM    168  OE1 GLN A 191     -28.111   3.853  15.635  1.00 33.63           O  
-ATOM    169  NE2 GLN A 191     -26.910   2.047  15.035  1.00 32.02           N  
-ATOM    170  N   GLU A 192     -25.051   2.742  20.577  1.00 21.46           N  
-ATOM    171  CA  GLU A 192     -24.277   3.615  21.482  1.00 21.62           C  
-ATOM    172  C   GLU A 192     -22.849   3.877  20.973  1.00 21.84           C  
-ATOM    173  O   GLU A 192     -22.341   5.002  21.037  1.00 20.87           O  
-ATOM    174  CB  GLU A 192     -24.256   3.024  22.902  1.00 21.24           C  
-ATOM    175  CG  GLU A 192     -25.645   2.977  23.531  1.00 21.99           C  
-ATOM    176  CD  GLU A 192     -25.689   2.475  24.965  1.00 22.37           C  
-ATOM    177  OE1 GLU A 192     -24.668   1.990  25.496  1.00 22.90           O  
-ATOM    178  OE2 GLU A 192     -26.783   2.565  25.568  1.00 25.93           O  
-ATOM    179  N   THR A 193     -22.217   2.832  20.450  1.00 22.20           N  
-ATOM    180  CA  THR A 193     -20.820   2.910  20.040  1.00 23.10           C  
-ATOM    181  C   THR A 193     -20.673   2.774  18.526  1.00 24.43           C  
-ATOM    182  O   THR A 193     -19.560   2.654  18.023  1.00 23.91           O  
-ATOM    183  CB  THR A 193     -20.006   1.791  20.694  1.00 23.11           C  
-ATOM    184  OG1 THR A 193     -20.622   0.538  20.378  1.00 22.12           O  
-ATOM    185  CG2 THR A 193     -19.949   1.957  22.207  1.00 22.37           C  
-ATOM    186  N   SER A 194     -21.792   2.789  17.806  1.00 26.17           N  
-ATOM    187  CA  SER A 194     -21.785   2.502  16.374  1.00 28.66           C  
-ATOM    188  C   SER A 194     -20.976   3.535  15.607  1.00 30.43           C  
-ATOM    189  O   SER A 194     -21.196   4.739  15.764  1.00 30.63           O  
-ATOM    190  CB  SER A 194     -23.206   2.411  15.808  1.00 28.78           C  
-ATOM    191  OG  SER A 194     -23.179   2.059  14.427  1.00 29.52           O  
-ATOM    192  N   GLY A 195     -20.043   3.045  14.791  1.00 32.35           N  
-ATOM    193  CA  GLY A 195     -19.179   3.890  13.965  1.00 34.45           C  
-ATOM    194  C   GLY A 195     -19.806   4.280  12.636  1.00 36.12           C  
-ATOM    195  O   GLY A 195     -19.172   4.964  11.819  1.00 36.57           O  
-ATOM    196  N   GLU A 196     -21.044   3.837  12.413  1.00 37.26           N  
-ATOM    197  CA  GLU A 196     -21.822   4.225  11.232  1.00 38.38           C  
-ATOM    198  C   GLU A 196     -23.273   4.535  11.614  1.00 38.59           C  
-ATOM    199  O   GLU A 196     -23.676   4.309  12.751  1.00 38.87           O  
-ATOM    200  CB  GLU A 196     -21.760   3.138  10.144  1.00 38.61           C  
-ATOM    201  CG  GLU A 196     -22.511   1.843  10.474  1.00 40.20           C  
-ATOM    202  CD  GLU A 196     -21.760   0.951  11.457  1.00 42.45           C  
-ATOM    203  OE1 GLU A 196     -22.418   0.352  12.338  0.50 42.52           O  
-ATOM    204  OE2 GLU A 196     -20.513   0.856  11.354  1.00 43.56           O  
-ATOM    205  N   GLU A 197     -24.042   5.069  10.667  1.00 38.83           N  
-ATOM    206  CA  GLU A 197     -25.464   5.336  10.878  1.00 38.88           C  
-ATOM    207  C   GLU A 197     -26.270   4.317  10.074  1.00 38.33           C  
-ATOM    208  O   GLU A 197     -26.494   4.507   8.877  1.00 38.98           O  
-ATOM    209  CB  GLU A 197     -25.821   6.766  10.445  1.00 39.07           C  
-ATOM    210  CG  GLU A 197     -27.249   7.230  10.822  1.00 40.48           C  
-ATOM    211  CD  GLU A 197     -27.277   8.390  11.820  1.00 42.86           C  
-ATOM    212  OE1 GLU A 197     -26.348   9.232  11.792  1.00 43.40           O  
-ATOM    213  OE2 GLU A 197     -28.241   8.474  12.621  1.00 43.51           O  
-ATOM    214  N   ILE A 198     -26.691   3.231  10.722  1.00 37.57           N  
-ATOM    215  CA  ILE A 198     -27.447   2.184  10.020  1.00 36.57           C  
-ATOM    216  C   ILE A 198     -28.889   2.619   9.745  1.00 35.29           C  
-ATOM    217  O   ILE A 198     -29.574   3.164  10.616  1.00 36.01           O  
-ATOM    218  CB  ILE A 198     -27.389   0.782  10.718  1.00 36.84           C  
-ATOM    219  CG1 ILE A 198     -28.057   0.812  12.097  1.00 37.53           C  
-ATOM    220  CG2 ILE A 198     -25.941   0.265  10.792  1.00 36.74           C  
-ATOM    221  CD1 ILE A 198     -28.621  -0.537  12.539  1.00 38.43           C  
-ATOM    222  N   SER A 199     -29.326   2.382   8.516  1.00 33.45           N  
-ATOM    223  CA  SER A 199     -30.640   2.811   8.054  1.00 31.29           C  
-ATOM    224  C   SER A 199     -31.578   1.620   7.892  1.00 29.24           C  
-ATOM    225  O   SER A 199     -32.790   1.798   7.759  1.00 28.70           O  
-ATOM    226  CB  SER A 199     -30.505   3.555   6.726  1.00 31.53           C  
-ATOM    227  OG  SER A 199     -29.665   2.841   5.830  1.00 33.46           O  
-ATOM    228  N   LYS A 200     -30.993   0.420   7.874  1.00 26.73           N  
-ATOM    229  CA  LYS A 200     -31.745  -0.835   7.833  1.00 24.20           C  
-ATOM    230  C   LYS A 200     -31.208  -1.820   8.880  1.00 23.56           C  
-ATOM    231  O   LYS A 200     -30.014  -1.861   9.160  1.00 23.03           O  
-ATOM    232  CB  LYS A 200     -31.682  -1.479   6.440  1.00 24.17           C  
-ATOM    233  CG  LYS A 200     -32.216  -0.609   5.294  1.00 23.41           C  
-ATOM    234  CD  LYS A 200     -32.263  -1.375   3.981  1.00 22.93           C  
-ATOM    235  CE  LYS A 200     -32.479  -0.443   2.786  1.00 21.93           C  
-ATOM    236  NZ  LYS A 200     -31.331   0.512   2.647  1.00 19.78           N  
-ATOM    237  N   PHE A 201     -32.102  -2.617   9.451  1.00 22.85           N  
-ATOM    238  CA  PHE A 201     -31.709  -3.640  10.421  1.00 22.70           C  
-ATOM    239  C   PHE A 201     -32.776  -4.707  10.497  1.00 22.14           C  
-ATOM    240  O   PHE A 201     -33.918  -4.481  10.100  1.00 21.35           O  
-ATOM    241  CB  PHE A 201     -31.465  -3.033  11.816  1.00 23.03           C  
-ATOM    242  CG  PHE A 201     -32.527  -2.059  12.254  1.00 24.17           C  
-ATOM    243  CD1 PHE A 201     -32.345  -0.689  12.083  1.00 25.93           C  
-ATOM    244  CD2 PHE A 201     -33.708  -2.505  12.838  1.00 24.45           C  
-ATOM    245  CE1 PHE A 201     -33.325   0.217  12.483  1.00 26.21           C  
-ATOM    246  CE2 PHE A 201     -34.694  -1.603  13.243  1.00 24.70           C  
-ATOM    247  CZ  PHE A 201     -34.501  -0.237  13.057  1.00 25.38           C  
-ATOM    248  N   TYR A 202     -32.410  -5.870  11.024  1.00 22.49           N  
-ATOM    249  CA  TYR A 202     -33.382  -6.937  11.146  1.00 22.70           C  
-ATOM    250  C   TYR A 202     -33.967  -7.006  12.549  1.00 22.40           C  
-ATOM    251  O   TYR A 202     -33.256  -7.283  13.524  1.00 22.87           O  
-ATOM    252  CB  TYR A 202     -32.802  -8.292  10.713  1.00 23.34           C  
-ATOM    253  CG  TYR A 202     -33.761  -9.446  10.948  1.00 23.98           C  
-ATOM    254  CD1 TYR A 202     -33.433 -10.488  11.816  1.00 24.52           C  
-ATOM    255  CD2 TYR A 202     -35.011  -9.476  10.324  1.00 23.91           C  
-ATOM    256  CE1 TYR A 202     -34.317 -11.546  12.043  1.00 24.21           C  
-ATOM    257  CE2 TYR A 202     -35.907 -10.524  10.551  1.00 23.70           C  
-ATOM    258  CZ  TYR A 202     -35.546 -11.561  11.403  1.00 24.61           C  
-ATOM    259  OH  TYR A 202     -36.433 -12.599  11.626  1.00 24.07           O  
-ATOM    260  N   LEU A 203     -35.259  -6.706  12.635  1.00 21.56           N  
-ATOM    261  CA  LEU A 203     -36.079  -6.988  13.807  1.00 21.32           C  
-ATOM    262  C   LEU A 203     -36.996  -8.155  13.453  1.00 20.36           C  
-ATOM    263  O   LEU A 203     -37.763  -8.042  12.499  1.00 19.87           O  
-ATOM    264  CB  LEU A 203     -36.957  -5.782  14.148  1.00 21.26           C  
-ATOM    265  CG  LEU A 203     -36.545  -4.765  15.215  1.00 23.82           C  
-ATOM    266  CD1 LEU A 203     -35.059  -4.627  15.328  1.00 23.04           C  
-ATOM    267  CD2 LEU A 203     -37.210  -3.428  14.951  1.00 22.01           C  
-ATOM    268  N   PRO A 204     -36.946  -9.257  14.232  1.00 19.91           N  
-ATOM    269  CA  PRO A 204     -37.883 -10.360  14.000  1.00 19.27           C  
-ATOM    270  C   PRO A 204     -39.312  -9.861  13.831  1.00 18.61           C  
-ATOM    271  O   PRO A 204     -39.777  -9.035  14.618  1.00 18.10           O  
-ATOM    272  CB  PRO A 204     -37.765 -11.194  15.284  1.00 19.29           C  
-ATOM    273  CG  PRO A 204     -36.357 -10.992  15.708  1.00 19.73           C  
-ATOM    274  CD  PRO A 204     -36.032  -9.548  15.352  1.00 19.59           C  
-ATOM    275  N   ASN A 205     -39.969 -10.324  12.769  1.00 17.90           N  
-ATOM    276  CA  ASN A 205     -41.355  -9.968  12.495  1.00 18.10           C  
-ATOM    277  C   ASN A 205     -42.247 -11.006  13.181  1.00 18.05           C  
-ATOM    278  O   ASN A 205     -42.411 -12.113  12.655  1.00 17.42           O  
-ATOM    279  CB  ASN A 205     -41.669  -9.983  10.987  1.00 18.39           C  
-ATOM    280  CG  ASN A 205     -40.668  -9.188  10.107  1.00 18.94           C  
-ATOM    281  OD1 ASN A 205     -40.832  -9.161   8.884  1.00 22.20           O  
-ATOM    282  ND2 ASN A 205     -39.657  -8.569  10.698  1.00 19.63           N  
-ATOM    283  N   CYS A 206     -42.818 -10.663  14.336  1.00 17.84           N  
-ATOM    284  CA  CYS A 206     -43.625 -11.622  15.106  1.00 17.83           C  
-ATOM    285  C   CYS A 206     -45.118 -11.479  14.845  1.00 18.36           C  
-ATOM    286  O   CYS A 206     -45.623 -10.361  14.652  1.00 18.35           O  
-ATOM    287  CB  CYS A 206     -43.376 -11.456  16.612  1.00 17.73           C  
-ATOM    288  SG  CYS A 206     -41.654 -11.522  17.121  1.00 17.34           S  
-ATOM    289  N   ASN A 207     -45.824 -12.610  14.844  1.00 18.54           N  
-ATOM    290  CA  ASN A 207     -47.282 -12.593  14.923  1.00 18.73           C  
-ATOM    291  C   ASN A 207     -47.713 -12.386  16.381  1.00 19.14           C  
-ATOM    292  O   ASN A 207     -46.874 -12.401  17.293  1.00 19.85           O  
-ATOM    293  CB  ASN A 207     -47.916 -13.848  14.274  1.00 18.43           C  
-ATOM    294  CG  ASN A 207     -47.609 -15.147  15.029  1.00 18.66           C  
-ATOM    295  OD1 ASN A 207     -47.546 -15.180  16.254  1.00 18.06           O  
-ATOM    296  ND2 ASN A 207     -47.442 -16.236  14.278  1.00 19.03           N  
-ATOM    297  N   LYS A 208     -49.012 -12.189  16.590  1.00 19.70           N  
-ATOM    298  CA  LYS A 208     -49.580 -11.893  17.916  1.00 20.21           C  
-ATOM    299  C   LYS A 208     -49.491 -13.063  18.913  1.00 20.08           C  
-ATOM    300  O   LYS A 208     -49.635 -12.860  20.118  1.00 20.32           O  
-ATOM    301  CB  LYS A 208     -51.043 -11.459  17.773  1.00 20.47           C  
-ATOM    302  CG  LYS A 208     -51.935 -12.512  17.115  1.00 20.38           C  
-ATOM    303  CD  LYS A 208     -53.396 -12.222  17.359  1.00 22.10           C  
-ATOM    304  CE  LYS A 208     -54.291 -13.221  16.642  1.00 20.94           C  
-ATOM    305  NZ  LYS A 208     -54.187 -14.607  17.174  1.00 20.34           N  
-ATOM    306  N   ASN A 209     -49.280 -14.275  18.399  1.00 19.57           N  
-ATOM    307  CA  ASN A 209     -49.083 -15.465  19.242  1.00 19.88           C  
-ATOM    308  C   ASN A 209     -47.633 -15.638  19.679  1.00 19.32           C  
-ATOM    309  O   ASN A 209     -47.304 -16.579  20.421  1.00 19.64           O  
-ATOM    310  CB  ASN A 209     -49.550 -16.730  18.508  1.00 19.75           C  
-ATOM    311  CG  ASN A 209     -50.776 -16.486  17.661  1.00 21.13           C  
-ATOM    312  OD1 ASN A 209     -50.811 -16.838  16.468  1.00 23.95           O  
-ATOM    313  ND2 ASN A 209     -51.778 -15.856  18.251  1.00 17.82           N  
-ATOM    314  N   GLY A 210     -46.771 -14.739  19.205  1.00 19.30           N  
-ATOM    315  CA  GLY A 210     -45.353 -14.753  19.536  1.00 18.56           C  
-ATOM    316  C   GLY A 210     -44.513 -15.719  18.713  1.00 18.50           C  
-ATOM    317  O   GLY A 210     -43.364 -15.993  19.062  1.00 17.75           O  
-ATOM    318  N   PHE A 211     -45.091 -16.250  17.638  1.00 18.35           N  
-ATOM    319  CA  PHE A 211     -44.325 -16.984  16.632  1.00 18.84           C  
-ATOM    320  C   PHE A 211     -43.945 -16.063  15.478  1.00 18.62           C  
-ATOM    321  O   PHE A 211     -44.212 -14.856  15.535  1.00 19.06           O  
-ATOM    322  CB  PHE A 211     -45.076 -18.238  16.160  1.00 19.06           C  
-ATOM    323  CG  PHE A 211     -44.992 -19.373  17.138  1.00 19.94           C  
-ATOM    324  CD1 PHE A 211     -43.859 -20.175  17.187  1.00 20.48           C  
-ATOM    325  CD2 PHE A 211     -46.021 -19.604  18.044  1.00 22.97           C  
-ATOM    326  CE1 PHE A 211     -43.759 -21.224  18.112  1.00 20.71           C  
-ATOM    327  CE2 PHE A 211     -45.933 -20.643  18.976  1.00 21.29           C  
-ATOM    328  CZ  PHE A 211     -44.800 -21.450  19.005  1.00 20.87           C  
-ATOM    329  N   TYR A 212     -43.285 -16.622  14.463  1.00 18.56           N  
-ATOM    330  CA  TYR A 212     -42.776 -15.843  13.332  1.00 18.09           C  
-ATOM    331  C   TYR A 212     -43.769 -15.774  12.184  1.00 18.14           C  
-ATOM    332  O   TYR A 212     -44.280 -16.800  11.744  1.00 18.14           O  
-ATOM    333  CB  TYR A 212     -41.449 -16.441  12.834  1.00 18.04           C  
-ATOM    334  CG  TYR A 212     -40.365 -16.422  13.885  1.00 17.57           C  
-ATOM    335  CD1 TYR A 212     -40.225 -17.467  14.801  1.00 17.30           C  
-ATOM    336  CD2 TYR A 212     -39.485 -15.344  13.975  1.00 17.57           C  
-ATOM    337  CE1 TYR A 212     -39.221 -17.434  15.777  1.00 18.28           C  
-ATOM    338  CE2 TYR A 212     -38.501 -15.298  14.936  1.00 14.95           C  
-ATOM    339  CZ  TYR A 212     -38.363 -16.344  15.829  1.00 16.70           C  
-ATOM    340  OH  TYR A 212     -37.375 -16.282  16.786  1.00 18.15           O  
-ATOM    341  N   HIS A 213     -44.028 -14.572  11.673  1.00 17.97           N  
-ATOM    342  CA  HIS A 213     -44.678 -14.469  10.366  1.00 18.14           C  
-ATOM    343  C   HIS A 213     -43.859 -15.264   9.348  1.00 17.86           C  
-ATOM    344  O   HIS A 213     -42.635 -15.316   9.449  1.00 17.33           O  
-ATOM    345  CB  HIS A 213     -44.804 -13.005   9.931  1.00 18.71           C  
-ATOM    346  CG  HIS A 213     -45.862 -12.251  10.673  1.00 19.72           C  
-ATOM    347  ND1 HIS A 213     -47.197 -12.594  10.619  1.00 20.89           N  
-ATOM    348  CD2 HIS A 213     -45.784 -11.167  11.480  1.00 20.60           C  
-ATOM    349  CE1 HIS A 213     -47.894 -11.761  11.371  1.00 21.53           C  
-ATOM    350  NE2 HIS A 213     -47.060 -10.888  11.907  1.00 21.26           N  
-ATOM    351  N   SER A 214     -44.533 -15.922   8.401  1.00 17.92           N  
-ATOM    352  CA  SER A 214     -43.835 -16.637   7.317  1.00 19.10           C  
-ATOM    353  C   SER A 214     -42.890 -15.727   6.548  1.00 18.52           C  
-ATOM    354  O   SER A 214     -41.765 -16.093   6.253  1.00 18.58           O  
-ATOM    355  CB  SER A 214     -44.830 -17.290   6.356  1.00 19.46           C  
-ATOM    356  OG  SER A 214     -45.258 -18.530   6.890  1.00 23.83           O  
-ATOM    357  N   ARG A 215     -43.344 -14.515   6.254  1.00 18.42           N  
-ATOM    358  CA  ARG A 215     -42.464 -13.537   5.651  1.00 18.42           C  
-ATOM    359  C   ARG A 215     -41.666 -12.820   6.745  1.00 17.97           C  
-ATOM    360  O   ARG A 215     -42.240 -12.338   7.726  1.00 19.04           O  
-ATOM    361  CB  ARG A 215     -43.275 -12.525   4.835  1.00 18.99           C  
-ATOM    362  CG  ARG A 215     -42.421 -11.489   4.100  1.00 19.30           C  
-ATOM    363  CD  ARG A 215     -43.301 -10.359   3.594  1.00 20.84           C  
-ATOM    364  NE  ARG A 215     -43.854  -9.573   4.697  1.00 20.02           N  
-ATOM    365  CZ  ARG A 215     -44.864  -8.706   4.586  1.00 22.74           C  
-ATOM    366  NH1 ARG A 215     -45.467  -8.510   3.418  1.00 23.51           N  
-ATOM    367  NH2 ARG A 215     -45.282  -8.040   5.656  1.00 23.60           N  
-ATOM    368  N   GLN A 216     -40.348 -12.761   6.573  1.00 17.58           N  
-ATOM    369  CA  GLN A 216     -39.487 -11.936   7.424  1.00 16.83           C  
-ATOM    370  C   GLN A 216     -38.810 -10.882   6.577  1.00 16.91           C  
-ATOM    371  O   GLN A 216     -38.184 -11.199   5.561  1.00 16.53           O  
-ATOM    372  CB  GLN A 216     -38.417 -12.769   8.150  1.00 16.94           C  
-ATOM    373  CG  GLN A 216     -38.974 -13.769   9.161  1.00 16.52           C  
-ATOM    374  CD  GLN A 216     -39.640 -13.095  10.339  1.00 16.09           C  
-ATOM    375  OE1 GLN A 216     -39.027 -12.252  11.022  1.00 15.64           O  
-ATOM    376  NE2 GLN A 216     -40.893 -13.457  10.589  1.00 14.49           N  
-ATOM    377  N   CYS A 217     -38.912  -9.625   7.014  1.00 16.94           N  
-ATOM    378  CA  CYS A 217     -38.270  -8.525   6.294  1.00 16.91           C  
-ATOM    379  C   CYS A 217     -37.384  -7.678   7.198  1.00 16.97           C  
-ATOM    380  O   CYS A 217     -37.647  -7.538   8.411  1.00 16.75           O  
-ATOM    381  CB  CYS A 217     -39.320  -7.622   5.639  1.00 17.22           C  
-ATOM    382  SG  CYS A 217     -40.478  -8.464   4.537  1.00 18.26           S  
-ATOM    383  N   GLU A 218     -36.340  -7.121   6.592  1.00 16.79           N  
-ATOM    384  CA  GLU A 218     -35.546  -6.069   7.216  1.00 18.15           C  
-ATOM    385  C   GLU A 218     -36.422  -4.859   7.451  1.00 17.77           C  
-ATOM    386  O   GLU A 218     -37.338  -4.577   6.663  1.00 17.55           O  
-ATOM    387  CB  GLU A 218     -34.398  -5.636   6.313  1.00 18.22           C  
-ATOM    388  CG  GLU A 218     -33.270  -6.626   6.156  1.00 21.61           C  
-ATOM    389  CD  GLU A 218     -32.200  -6.090   5.225  1.00 24.73           C  
-ATOM    390  OE1 GLU A 218     -31.004  -6.339   5.502  1.00 27.34           O  
-ATOM    391  OE2 GLU A 218     -32.550  -5.418   4.222  1.00 24.10           O  
-ATOM    392  N   THR A 219     -36.117  -4.151   8.538  1.00 17.82           N  
-ATOM    393  CA  THR A 219     -36.720  -2.866   8.838  1.00 17.58           C  
-ATOM    394  C   THR A 219     -35.901  -1.783   8.146  1.00 17.52           C  
-ATOM    395  O   THR A 219     -34.672  -1.758   8.234  1.00 17.92           O  
-ATOM    396  CB  THR A 219     -36.804  -2.634  10.359  1.00 17.50           C  
-ATOM    397  OG1 THR A 219     -37.707  -3.591  10.934  1.00 17.69           O  
-ATOM    398  CG2 THR A 219     -37.329  -1.232  10.673  1.00 16.71           C  
-ATOM    399  N   SER A 220     -36.592  -0.905   7.431  1.00 18.10           N  
-ATOM    400  CA  SER A 220     -35.936   0.177   6.727  1.00 18.76           C  
-ATOM    401  C   SER A 220     -36.502   1.537   7.156  1.00 18.01           C  
-ATOM    402  O   SER A 220     -37.695   1.670   7.389  1.00 17.11           O  
-ATOM    403  CB  SER A 220     -36.107  -0.010   5.226  1.00 19.04           C  
-ATOM    404  OG  SER A 220     -35.857   1.208   4.553  1.00 22.71           O  
-ATOM    405  N   MET A 221     -35.635   2.537   7.222  1.00 18.98           N  
-ATOM    406  CA  MET A 221     -36.036   3.903   7.580  1.00 21.13           C  
-ATOM    407  C   MET A 221     -35.385   4.915   6.636  1.00 20.38           C  
-ATOM    408  O   MET A 221     -35.168   6.072   7.002  1.00 19.76           O  
-ATOM    409  CB  MET A 221     -35.626   4.216   9.027  1.00 20.63           C  
-ATOM    410  CG  MET A 221     -36.286   3.349  10.096  1.00 22.82           C  
-ATOM    411  SD  MET A 221     -35.787   3.830  11.765  1.00 26.61           S  
-ATOM    412  CE  MET A 221     -36.444   5.490  11.874  1.00 25.56           C  
-ATOM    413  N   ASP A 222     -35.073   4.478   5.418  1.00 20.40           N  
-ATOM    414  CA  ASP A 222     -34.270   5.298   4.508  1.00 20.45           C  
-ATOM    415  C   ASP A 222     -34.877   5.473   3.121  1.00 20.58           C  
-ATOM    416  O   ASP A 222     -34.208   5.977   2.228  1.00 20.57           O  
-ATOM    417  CB  ASP A 222     -32.856   4.725   4.386  1.00 20.76           C  
-ATOM    418  CG  ASP A 222     -32.849   3.279   3.882  1.00 20.03           C  
-ATOM    419  OD1 ASP A 222     -31.774   2.660   3.934  1.00 22.26           O  
-ATOM    420  OD2 ASP A 222     -33.911   2.768   3.445  1.00 21.53           O  
-ATOM    421  N   GLY A 223     -36.125   5.041   2.943  1.00 20.55           N  
-ATOM    422  CA  GLY A 223     -36.815   5.170   1.658  1.00 21.58           C  
-ATOM    423  C   GLY A 223     -36.480   4.069   0.668  1.00 21.57           C  
-ATOM    424  O   GLY A 223     -36.861   4.134  -0.498  1.00 21.96           O  
-ATOM    425  N   GLU A 224     -35.766   3.053   1.141  1.00 21.38           N  
-ATOM    426  CA  GLU A 224     -35.450   1.891   0.324  1.00 21.72           C  
-ATOM    427  C   GLU A 224     -36.126   0.661   0.914  1.00 21.14           C  
-ATOM    428  O   GLU A 224     -36.255   0.536   2.135  1.00 20.93           O  
-ATOM    429  CB  GLU A 224     -33.948   1.673   0.260  1.00 22.09           C  
-ATOM    430  CG  GLU A 224     -33.177   2.741  -0.500  1.00 24.47           C  
-ATOM    431  CD  GLU A 224     -31.682   2.620  -0.299  1.00 28.43           C  
-ATOM    432  OE1 GLU A 224     -31.207   1.510   0.038  1.00 30.43           O  
-ATOM    433  OE2 GLU A 224     -30.980   3.638  -0.483  1.00 31.11           O  
-ATOM    434  N   ALA A 225     -36.575  -0.234   0.039  1.00 20.59           N  
-ATOM    435  CA  ALA A 225     -37.186  -1.492   0.463  1.00 20.30           C  
-ATOM    436  C   ALA A 225     -36.151  -2.361   1.188  1.00 19.93           C  
-ATOM    437  O   ALA A 225     -35.013  -2.494   0.724  1.00 19.69           O  
-ATOM    438  CB  ALA A 225     -37.732  -2.226  -0.750  1.00 20.55           C  
-ATOM    439  N   GLY A 226     -36.537  -2.937   2.327  1.00 19.20           N  
-ATOM    440  CA  GLY A 226     -35.705  -3.955   2.980  1.00 18.85           C  
-ATOM    441  C   GLY A 226     -35.821  -5.315   2.294  1.00 18.42           C  
-ATOM    442  O   GLY A 226     -36.804  -5.578   1.596  1.00 18.31           O  
-ATOM    443  N   LEU A 227     -34.808  -6.166   2.487  1.00 18.11           N  
-ATOM    444  CA  LEU A 227     -34.812  -7.532   1.968  1.00 17.92           C  
-ATOM    445  C   LEU A 227     -35.853  -8.348   2.738  1.00 17.33           C  
-ATOM    446  O   LEU A 227     -36.002  -8.161   3.945  1.00 16.48           O  
-ATOM    447  CB  LEU A 227     -33.431  -8.175   2.139  1.00 18.26           C  
-ATOM    448  CG  LEU A 227     -32.270  -7.657   1.283  1.00 20.78           C  
-ATOM    449  CD1 LEU A 227     -30.917  -8.132   1.816  1.00 23.35           C  
-ATOM    450  CD2 LEU A 227     -32.451  -8.046  -0.194  1.00 21.98           C  
-ATOM    451  N   CYS A 228     -36.584  -9.216   2.037  1.00 16.71           N  
-ATOM    452  CA  CYS A 228     -37.472 -10.166   2.703  1.00 17.38           C  
-ATOM    453  C   CYS A 228     -37.100 -11.586   2.299  1.00 17.41           C  
-ATOM    454  O   CYS A 228     -36.573 -11.806   1.216  1.00 17.14           O  
-ATOM    455  CB  CYS A 228     -38.947  -9.920   2.362  1.00 17.03           C  
-ATOM    456  SG  CYS A 228     -39.619  -8.273   2.708  1.00 18.75           S  
-ATOM    457  N   TRP A 229     -37.406 -12.535   3.178  1.00 17.59           N  
-ATOM    458  CA  TRP A 229     -37.214 -13.963   2.910  1.00 18.64           C  
-ATOM    459  C   TRP A 229     -38.313 -14.754   3.622  1.00 18.91           C  
-ATOM    460  O   TRP A 229     -39.155 -14.171   4.325  1.00 18.74           O  
-ATOM    461  CB  TRP A 229     -35.820 -14.414   3.366  1.00 19.05           C  
-ATOM    462  CG  TRP A 229     -35.545 -14.189   4.825  1.00 19.34           C  
-ATOM    463  CD1 TRP A 229     -35.685 -15.100   5.834  1.00 19.36           C  
-ATOM    464  CD2 TRP A 229     -35.086 -12.975   5.440  1.00 19.75           C  
-ATOM    465  NE1 TRP A 229     -35.345 -14.530   7.042  1.00 19.95           N  
-ATOM    466  CE2 TRP A 229     -34.964 -13.230   6.829  1.00 19.97           C  
-ATOM    467  CE3 TRP A 229     -34.763 -11.698   4.953  1.00 19.95           C  
-ATOM    468  CZ2 TRP A 229     -34.541 -12.251   7.739  1.00 20.31           C  
-ATOM    469  CZ3 TRP A 229     -34.324 -10.728   5.858  1.00 19.00           C  
-ATOM    470  CH2 TRP A 229     -34.228 -11.008   7.234  1.00 19.70           C  
-ATOM    471  N   CYS A 230     -38.301 -16.079   3.450  1.00 18.85           N  
-ATOM    472  CA  CYS A 230     -39.332 -16.931   4.016  1.00 18.94           C  
-ATOM    473  C   CYS A 230     -38.794 -17.854   5.106  1.00 18.50           C  
-ATOM    474  O   CYS A 230     -37.736 -18.464   4.946  1.00 18.93           O  
-ATOM    475  CB  CYS A 230     -40.004 -17.763   2.915  1.00 19.33           C  
-ATOM    476  SG  CYS A 230     -40.630 -16.761   1.539  1.00 21.95           S  
-ATOM    477  N   VAL A 231     -39.537 -17.962   6.205  1.00 18.37           N  
-ATOM    478  CA  VAL A 231     -39.114 -18.795   7.338  1.00 17.92           C  
-ATOM    479  C   VAL A 231     -40.202 -19.788   7.737  1.00 17.70           C  
-ATOM    480  O   VAL A 231     -41.346 -19.646   7.344  1.00 17.73           O  
-ATOM    481  CB  VAL A 231     -38.723 -17.944   8.571  1.00 18.29           C  
-ATOM    482  CG1 VAL A 231     -37.542 -17.009   8.238  1.00 18.20           C  
-ATOM    483  CG2 VAL A 231     -39.946 -17.177   9.121  1.00 18.39           C  
-ATOM    484  N   TYR A 232     -39.826 -20.793   8.525  1.00 18.07           N  
-ATOM    485  CA  TYR A 232     -40.801 -21.624   9.208  1.00 18.02           C  
-ATOM    486  C   TYR A 232     -41.359 -20.832  10.407  1.00 17.80           C  
-ATOM    487  O   TYR A 232     -40.593 -20.347  11.239  1.00 17.24           O  
-ATOM    488  CB  TYR A 232     -40.142 -22.912   9.681  1.00 18.50           C  
-ATOM    489  CG  TYR A 232     -39.552 -23.774   8.570  1.00 18.40           C  
-ATOM    490  CD1 TYR A 232     -40.379 -24.437   7.660  1.00 20.13           C  
-ATOM    491  CD2 TYR A 232     -38.167 -23.966   8.470  1.00 18.40           C  
-ATOM    492  CE1 TYR A 232     -39.841 -25.241   6.655  1.00 19.48           C  
-ATOM    493  CE2 TYR A 232     -37.617 -24.774   7.465  1.00 18.57           C  
-ATOM    494  CZ  TYR A 232     -38.465 -25.404   6.570  1.00 19.11           C  
-ATOM    495  OH  TYR A 232     -37.938 -26.204   5.592  1.00 18.92           O  
-ATOM    496  N   PRO A 233     -42.695 -20.681  10.497  1.00 18.03           N  
-ATOM    497  CA  PRO A 233     -43.253 -19.870  11.598  1.00 17.74           C  
-ATOM    498  C   PRO A 233     -42.902 -20.308  13.024  1.00 17.82           C  
-ATOM    499  O   PRO A 233     -42.882 -19.469  13.932  1.00 17.24           O  
-ATOM    500  CB  PRO A 233     -44.765 -19.946  11.362  1.00 17.97           C  
-ATOM    501  CG  PRO A 233     -44.897 -20.256   9.893  1.00 18.42           C  
-ATOM    502  CD  PRO A 233     -43.756 -21.183   9.606  1.00 18.27           C  
-ATOM    503  N   TRP A 234     -42.624 -21.598  13.224  1.00 17.63           N  
-ATOM    504  CA  TRP A 234     -42.345 -22.098  14.563  1.00 17.85           C  
-ATOM    505  C   TRP A 234     -40.928 -21.831  15.057  1.00 17.77           C  
-ATOM    506  O   TRP A 234     -40.704 -21.864  16.260  1.00 18.60           O  
-ATOM    507  CB  TRP A 234     -42.687 -23.593  14.706  1.00 17.64           C  
-ATOM    508  CG  TRP A 234     -41.958 -24.497  13.754  1.00 16.96           C  
-ATOM    509  CD1 TRP A 234     -40.786 -25.170  13.983  1.00 17.91           C  
-ATOM    510  CD2 TRP A 234     -42.363 -24.836  12.425  1.00 17.13           C  
-ATOM    511  NE1 TRP A 234     -40.439 -25.906  12.866  1.00 16.95           N  
-ATOM    512  CE2 TRP A 234     -41.387 -25.721  11.899  1.00 17.40           C  
-ATOM    513  CE3 TRP A 234     -43.459 -24.480  11.625  1.00 17.41           C  
-ATOM    514  CZ2 TRP A 234     -41.478 -26.259  10.606  1.00 17.51           C  
-ATOM    515  CZ3 TRP A 234     -43.546 -25.004  10.342  1.00 17.72           C  
-ATOM    516  CH2 TRP A 234     -42.555 -25.887   9.843  1.00 17.50           C  
-ATOM    517  N   ASN A 235     -39.983 -21.554  14.152  1.00 17.27           N  
-ATOM    518  CA  ASN A 235     -38.590 -21.315  14.560  1.00 17.29           C  
-ATOM    519  C   ASN A 235     -37.885 -20.097  13.941  1.00 17.16           C  
-ATOM    520  O   ASN A 235     -36.793 -19.751  14.367  1.00 16.87           O  
-ATOM    521  CB  ASN A 235     -37.726 -22.587  14.409  1.00 17.29           C  
-ATOM    522  CG  ASN A 235     -37.407 -22.934  12.950  1.00 17.80           C  
-ATOM    523  OD1 ASN A 235     -37.834 -22.248  12.018  1.00 17.44           O  
-ATOM    524  ND2 ASN A 235     -36.651 -24.020  12.754  1.00 18.23           N  
-ATOM    525  N   GLY A 236     -38.506 -19.473  12.940  1.00 17.50           N  
-ATOM    526  CA  GLY A 236     -37.957 -18.276  12.295  1.00 18.22           C  
-ATOM    527  C   GLY A 236     -36.688 -18.500  11.480  1.00 19.13           C  
-ATOM    528  O   GLY A 236     -35.952 -17.548  11.210  1.00 18.66           O  
-ATOM    529  N   LYS A 237     -36.427 -19.755  11.099  1.00 18.90           N  
-ATOM    530  CA  LYS A 237     -35.253 -20.079  10.303  1.00 20.07           C  
-ATOM    531  C   LYS A 237     -35.652 -20.086   8.836  1.00 20.62           C  
-ATOM    532  O   LYS A 237     -36.709 -20.607   8.487  1.00 20.15           O  
-ATOM    533  CB  LYS A 237     -34.658 -21.438  10.712  1.00 20.03           C  
-ATOM    534  CG  LYS A 237     -34.152 -21.504  12.151  1.00 19.85           C  
-ATOM    535  CD  LYS A 237     -33.395 -22.819  12.393  1.00 20.64           C  
-ATOM    536  CE  LYS A 237     -32.887 -22.927  13.828  1.00 20.64           C  
-ATOM    537  NZ  LYS A 237     -32.303 -24.281  14.128  1.00 19.43           N  
-ATOM    538  N   ARG A 238     -34.811 -19.483   7.993  1.00 21.63           N  
-ATOM    539  CA  ARG A 238     -35.054 -19.421   6.556  1.00 22.74           C  
-ATOM    540  C   ARG A 238     -35.290 -20.815   5.978  1.00 23.18           C  
-ATOM    541  O   ARG A 238     -34.580 -21.765   6.321  1.00 23.36           O  
-ATOM    542  CB  ARG A 238     -33.882 -18.738   5.842  1.00 23.15           C  
-ATOM    543  CG  ARG A 238     -34.126 -18.455   4.367  1.00 24.78           C  
-ATOM    544  CD  ARG A 238     -32.909 -17.817   3.729  1.00 29.07           C  
-ATOM    545  NE  ARG A 238     -33.127 -17.584   2.305  1.00 32.71           N  
-ATOM    546  CZ  ARG A 238     -32.328 -16.860   1.525  1.00 33.80           C  
-ATOM    547  NH1 ARG A 238     -31.254 -16.265   2.028  1.00 35.30           N  
-ATOM    548  NH2 ARG A 238     -32.617 -16.721   0.240  1.00 34.89           N  
-ATOM    549  N   ILE A 239     -36.322 -20.928   5.150  1.00 23.39           N  
-ATOM    550  CA  ILE A 239     -36.608 -22.157   4.423  1.00 24.14           C  
-ATOM    551  C   ILE A 239     -35.552 -22.319   3.324  1.00 25.20           C  
-ATOM    552  O   ILE A 239     -35.352 -21.409   2.518  1.00 25.16           O  
-ATOM    553  CB  ILE A 239     -38.055 -22.159   3.856  1.00 23.81           C  
-ATOM    554  CG1 ILE A 239     -39.067 -21.960   4.997  1.00 24.06           C  
-ATOM    555  CG2 ILE A 239     -38.335 -23.450   3.074  1.00 23.17           C  
-ATOM    556  CD1 ILE A 239     -40.505 -21.711   4.571  1.00 23.96           C  
-ATOM    557  N   PRO A 240     -34.847 -23.471   3.301  1.00 26.03           N  
-ATOM    558  CA  PRO A 240     -33.817 -23.658   2.275  1.00 26.67           C  
-ATOM    559  C   PRO A 240     -34.410 -23.482   0.877  1.00 26.91           C  
-ATOM    560  O   PRO A 240     -35.524 -23.932   0.615  1.00 27.37           O  
-ATOM    561  CB  PRO A 240     -33.340 -25.096   2.513  1.00 26.80           C  
-ATOM    562  CG  PRO A 240     -33.660 -25.369   3.954  1.00 26.50           C  
-ATOM    563  CD  PRO A 240     -34.952 -24.638   4.200  1.00 26.11           C  
-ATOM    564  N   GLY A 241     -33.693 -22.777   0.010  1.00 27.81           N  
-ATOM    565  CA  GLY A 241     -34.199 -22.463  -1.334  1.00 28.67           C  
-ATOM    566  C   GLY A 241     -35.099 -21.232  -1.404  1.00 29.09           C  
-ATOM    567  O   GLY A 241     -35.506 -20.821  -2.500  1.00 29.78           O  
-ATOM    568  N   SER A 242     -35.406 -20.646  -0.245  1.00 29.22           N  
-ATOM    569  CA  SER A 242     -36.237 -19.436  -0.167  1.00 28.62           C  
-ATOM    570  C   SER A 242     -35.646 -18.301  -0.992  1.00 28.58           C  
-ATOM    571  O   SER A 242     -34.427 -18.089  -0.985  1.00 28.71           O  
-ATOM    572  CB  SER A 242     -36.433 -18.977   1.290  1.00 28.97           C  
-ATOM    573  OG  SER A 242     -36.756 -17.583   1.376  1.00 27.17           O  
-ATOM    574  N   PRO A 243     -36.506 -17.572  -1.722  1.00 28.39           N  
-ATOM    575  CA  PRO A 243     -36.007 -16.356  -2.349  1.00 28.39           C  
-ATOM    576  C   PRO A 243     -35.683 -15.295  -1.290  1.00 28.20           C  
-ATOM    577  O   PRO A 243     -36.259 -15.313  -0.194  1.00 27.71           O  
-ATOM    578  CB  PRO A 243     -37.167 -15.904  -3.244  1.00 28.46           C  
-ATOM    579  CG  PRO A 243     -38.367 -16.600  -2.761  1.00 28.86           C  
-ATOM    580  CD  PRO A 243     -37.933 -17.820  -2.003  1.00 28.47           C  
-ATOM    581  N   GLU A 244     -34.736 -14.419  -1.613  1.00 27.80           N  
-ATOM    582  CA  GLU A 244     -34.478 -13.212  -0.837  1.00 28.29           C  
-ATOM    583  C   GLU A 244     -34.515 -12.022  -1.795  1.00 27.43           C  
-ATOM    584  O   GLU A 244     -33.620 -11.854  -2.622  1.00 27.85           O  
-ATOM    585  CB  GLU A 244     -33.138 -13.293  -0.100  1.00 28.06           C  
-ATOM    586  CG  GLU A 244     -32.866 -12.110   0.845  1.00 29.84           C  
-ATOM    587  CD  GLU A 244     -31.803 -12.400   1.897  1.00 30.20           C  
-ATOM    588  OE1 GLU A 244     -31.390 -13.572   2.032  1.00 33.67           O  
-ATOM    589  OE2 GLU A 244     -31.387 -11.453   2.609  1.00 34.03           O  
-ATOM    590  N   ILE A 245     -35.563 -11.214  -1.682  1.00 26.43           N  
-ATOM    591  CA  ILE A 245     -35.780 -10.075  -2.583  1.00 25.65           C  
-ATOM    592  C   ILE A 245     -36.217  -8.832  -1.801  1.00 25.29           C  
-ATOM    593  O   ILE A 245     -36.768  -8.951  -0.700  1.00 25.02           O  
-ATOM    594  CB  ILE A 245     -36.850 -10.402  -3.671  1.00 25.53           C  
-ATOM    595  CG1 ILE A 245     -38.173 -10.846  -3.033  1.00 25.35           C  
-ATOM    596  CG2 ILE A 245     -36.325 -11.466  -4.663  1.00 24.89           C  
-ATOM    597  CD1 ILE A 245     -39.407 -10.707  -3.934  1.00 26.20           C  
-ATOM    598  N   ARG A 246     -36.004  -7.648  -2.381  1.00 24.57           N  
-ATOM    599  CA  ARG A 246     -36.526  -6.407  -1.793  1.00 24.09           C  
-ATOM    600  C   ARG A 246     -37.988  -6.209  -2.186  1.00 23.73           C  
-ATOM    601  O   ARG A 246     -38.334  -5.370  -3.019  1.00 22.92           O  
-ATOM    602  CB  ARG A 246     -35.657  -5.200  -2.156  1.00 24.34           C  
-ATOM    603  CG  ARG A 246     -34.232  -5.365  -1.662  1.00 25.49           C  
-ATOM    604  CD  ARG A 246     -33.359  -4.136  -1.804  1.00 25.90           C  
-ATOM    605  NE  ARG A 246     -32.020  -4.466  -1.317  1.00 27.00           N  
-ATOM    606  CZ  ARG A 246     -31.617  -4.321  -0.057  1.00 28.42           C  
-ATOM    607  NH1 ARG A 246     -32.447  -3.835   0.870  1.00 27.71           N  
-ATOM    608  NH2 ARG A 246     -30.378  -4.676   0.281  1.00 29.27           N  
-ATOM    609  N   GLY A 247     -38.835  -7.026  -1.580  1.00 23.42           N  
-ATOM    610  CA  GLY A 247     -40.259  -7.039  -1.851  1.00 24.01           C  
-ATOM    611  C   GLY A 247     -40.829  -8.273  -1.197  1.00 24.50           C  
-ATOM    612  O   GLY A 247     -40.080  -9.077  -0.649  1.00 24.29           O  
-ATOM    613  N   ASP A 248     -42.149  -8.408  -1.235  1.00 25.16           N  
-ATOM    614  CA  ASP A 248     -42.824  -9.555  -0.633  1.00 26.30           C  
-ATOM    615  C   ASP A 248     -42.603 -10.798  -1.502  1.00 26.46           C  
-ATOM    616  O   ASP A 248     -43.038 -10.830  -2.651  1.00 26.50           O  
-ATOM    617  CB  ASP A 248     -44.319  -9.255  -0.467  1.00 26.46           C  
-ATOM    618  CG  ASP A 248     -45.036 -10.274   0.400  1.00 27.46           C  
-ATOM    619  OD1 ASP A 248     -45.923  -9.862   1.176  1.00 29.63           O  
-ATOM    620  OD2 ASP A 248     -44.724 -11.481   0.312  1.00 29.49           O  
-ATOM    621  N   PRO A 249     -41.919 -11.825  -0.954  1.00 27.01           N  
-ATOM    622  CA  PRO A 249     -41.616 -13.040  -1.719  1.00 27.12           C  
-ATOM    623  C   PRO A 249     -42.839 -13.935  -1.935  1.00 27.58           C  
-ATOM    624  O   PRO A 249     -42.747 -14.917  -2.670  1.00 27.69           O  
-ATOM    625  CB  PRO A 249     -40.575 -13.763  -0.842  1.00 27.25           C  
-ATOM    626  CG  PRO A 249     -40.172 -12.767   0.229  1.00 26.22           C  
-ATOM    627  CD  PRO A 249     -41.376 -11.906   0.415  1.00 26.82           C  
-ATOM    628  N   ASN A 250     -43.965 -13.578  -1.315  1.00 28.06           N  
-ATOM    629  CA  ASN A 250     -45.188 -14.384  -1.319  1.00 28.66           C  
-ATOM    630  C   ASN A 250     -44.915 -15.766  -0.728  1.00 28.70           C  
-ATOM    631  O   ASN A 250     -44.998 -16.798  -1.417  1.00 29.19           O  
-ATOM    632  CB  ASN A 250     -45.827 -14.456  -2.721  1.00 29.27           C  
-ATOM    633  CG  ASN A 250     -46.426 -13.126  -3.167  1.00 31.00           C  
-ATOM    634  OD1 ASN A 250     -46.227 -12.687  -4.308  1.00 34.38           O  
-ATOM    635  ND2 ASN A 250     -47.167 -12.478  -2.272  1.00 31.93           N  
-ATOM    636  N   CYS A 251     -44.571 -15.756   0.557  1.00 28.18           N  
-ATOM    637  CA  CYS A 251     -44.118 -16.941   1.273  1.00 27.85           C  
-ATOM    638  C   CYS A 251     -45.248 -17.940   1.495  1.00 28.66           C  
-ATOM    639  O   CYS A 251     -46.370 -17.574   1.840  1.00 29.40           O  
-ATOM    640  CB  CYS A 251     -43.484 -16.541   2.607  1.00 27.05           C  
-ATOM    641  SG  CYS A 251     -41.988 -15.536   2.435  1.00 22.88           S  
-ATOM    642  OXT CYS A 251     -45.044 -19.143   1.329  1.00 29.75           O  

Deleted: SwiftApps/modFTDock/input/2c60-1.pdb
===================================================================
--- SwiftApps/modFTDock/input/2c60-1.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/2c60-1.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,681 +0,0 @@
-ATOM      1  N   GLY A -10       5.672  41.889  10.411  1.00 32.96           N  
-ATOM      2  CA  GLY A -10       6.271  43.253  10.313  1.00 32.76           C  
-ATOM      3  C   GLY A -10       5.378  44.263  10.995  1.00 32.40           C  
-ATOM      4  O   GLY A -10       5.619  44.648  12.146  1.00 32.58           O  
-ATOM      5  N   THR A  -9       4.331  44.678  10.287  1.00 31.46           N  
-ATOM      6  CA  THR A  -9       3.258  45.456  10.892  1.00 31.06           C  
-ATOM      7  C   THR A  -9       2.474  44.565  11.860  1.00 31.44           C  
-ATOM      8  O   THR A  -9       2.021  45.022  12.914  1.00 31.32           O  
-ATOM      9  CB  THR A  -9       2.318  46.048   9.816  1.00 30.66           C  
-ATOM     10  OG1 THR A  -9       3.090  46.805   8.877  1.00 29.93           O  
-ATOM     11  CG2 THR A  -9       1.277  46.963  10.441  1.00 30.34           C  
-ATOM     12  N   GLU A  -8       2.317  43.291  11.490  1.00 31.96           N  
-ATOM     13  CA  GLU A  -8       1.741  42.281  12.378  1.00 31.79           C  
-ATOM     14  C   GLU A  -8       2.607  42.086  13.617  1.00 31.52           C  
-ATOM     15  O   GLU A  -8       2.093  42.036  14.734  1.00 31.42           O  
-ATOM     16  CB  GLU A  -8       1.583  40.950  11.641  1.00 31.93           C  
-ATOM     17  N   ASN A  -7       3.922  41.988  13.422  1.00 31.21           N  
-ATOM     18  CA  ASN A  -7       4.869  41.879  14.539  1.00 30.77           C  
-ATOM     19  C   ASN A  -7       4.789  43.068  15.491  1.00 30.00           C  
-ATOM     20  O   ASN A  -7       4.865  42.892  16.709  1.00 30.84           O  
-ATOM     21  CB  ASN A  -7       6.306  41.714  14.037  1.00 30.75           C  
-ATOM     22  N   LEU A  -6       4.632  44.277  14.943  1.00 28.62           N  
-ATOM     23  CA  LEU A  -6       4.432  45.464  15.781  1.00 27.79           C  
-ATOM     24  C   LEU A  -6       3.059  45.400  16.436  1.00 27.60           C  
-ATOM     25  O   LEU A  -6       2.923  45.692  17.627  1.00 28.01           O  
-ATOM     26  CB  LEU A  -6       4.570  46.748  14.958  1.00 27.08           C  
-ATOM     27  CG  LEU A  -6       4.193  48.064  15.660  1.00 26.09           C  
-ATOM     28  CD1 LEU A  -6       4.995  48.291  16.938  1.00 26.02           C  
-ATOM     29  CD2 LEU A  -6       4.363  49.214  14.690  1.00 26.34           C  
-ATOM     30  N   SER A  43       9.871  34.845  21.974  1.00 21.30           N  
-ATOM     31  CA  SER A  43      10.641  33.843  21.245  1.00 20.25           C  
-ATOM     32  C   SER A  43      11.585  34.472  20.234  1.00 18.39           C  
-ATOM     33  O   SER A  43      12.241  33.746  19.510  1.00 18.35           O  
-ATOM     34  CB  SER A  43       9.734  32.839  20.511  1.00 21.07           C  
-ATOM     35  OG  SER A  43       9.045  33.453  19.427  1.00 23.97           O  
-ATOM     36  N   ASP A  44      11.648  35.800  20.147  1.00 17.44           N  
-ATOM     37  CA  ASP A  44      12.587  36.430  19.213  1.00 16.32           C  
-ATOM     38  C   ASP A  44      14.019  36.033  19.550  1.00 14.98           C  
-ATOM     39  O   ASP A  44      14.364  35.780  20.733  1.00 16.42           O  
-ATOM     40  CB  ASP A  44      12.512  37.960  19.270  1.00 16.98           C  
-ATOM     41  CG  ASP A  44      11.221  38.540  18.675  1.00 19.56           C  
-ATOM     42  OD1 ASP A  44      10.360  37.806  18.155  1.00 21.88           O  
-ATOM     43  OD2 ASP A  44      11.086  39.784  18.708  1.00 24.89           O  
-ATOM     44  N   VAL A  45      14.841  35.993  18.508  1.00 13.42           N  
-ATOM     45  CA  VAL A  45      16.267  35.758  18.651  1.00 12.32           C  
-ATOM     46  C   VAL A  45      16.970  37.102  18.760  1.00 11.89           C  
-ATOM     47  O   VAL A  45      16.834  37.944  17.862  1.00 12.68           O  
-ATOM     48  CB  VAL A  45      16.819  34.982  17.436  1.00 13.00           C  
-ATOM     49  CG1 VAL A  45      18.324  34.910  17.498  1.00 13.56           C  
-ATOM     50  CG2 VAL A  45      16.201  33.581  17.343  1.00 13.51           C  
-ATOM     51  N   ARG A  46      17.657  37.334  19.875  1.00 12.46           N  
-ATOM     52  CA  ARG A  46      18.418  38.552  20.084  1.00 13.49           C  
-ATOM     53  C   ARG A  46      19.838  38.311  19.593  1.00 12.11           C  
-ATOM     54  O   ARG A  46      20.506  37.395  20.052  1.00 13.40           O  
-ATOM     55  CB  ARG A  46      18.412  38.916  21.569  1.00 13.98           C  
-ATOM     56  CG  ARG A  46      17.022  39.248  22.076  1.00 18.06           C  
-ATOM     57  CD  ARG A  46      16.968  39.290  23.614  1.00 21.39           C  
-ATOM     58  NE  ARG A  46      17.668  40.453  24.141  1.00 26.48           N  
-ATOM     59  CZ  ARG A  46      18.755  40.440  24.923  1.00 28.45           C  
-ATOM     60  NH1 ARG A  46      19.353  39.307  25.298  1.00 29.87           N  
-ATOM     61  NH2 ARG A  46      19.262  41.593  25.337  1.00 29.93           N  
-ATOM     62  N   ILE A  47      20.280  39.111  18.641  1.00 10.76           N  
-ATOM     63  CA  ILE A  47      21.637  39.018  18.120  1.00 11.34           C  
-ATOM     64  C   ILE A  47      22.433  40.195  18.628  1.00 11.49           C  
-ATOM     65  O   ILE A  47      22.028  41.339  18.487  1.00 12.54           O  
-ATOM     66  CB  ILE A  47      21.647  38.945  16.598  1.00 11.37           C  
-ATOM     67  CG1 ILE A  47      20.843  37.729  16.111  1.00 12.71           C  
-ATOM     68  CG2 ILE A  47      23.079  38.891  16.119  1.00 12.46           C  
-ATOM     69  CD1 ILE A  47      20.866  37.517  14.560  1.00 13.56           C  
-ATOM     70  N   LYS A  48      23.558  39.888  19.262  1.00 11.93           N  
-ATOM     71  CA  LYS A  48      24.472  40.910  19.749  1.00 12.49           C  
-ATOM     72  C   LYS A  48      25.578  41.081  18.714  1.00 12.27           C  
-ATOM     73  O   LYS A  48      26.503  40.256  18.627  1.00 13.21           O  
-ATOM     74  CB  LYS A  48      25.061  40.519  21.115  1.00 13.72           C  
-ATOM     75  CG  LYS A  48      25.913  41.611  21.710  1.00 14.81           C  
-ATOM     76  CD  LYS A  48      26.519  41.211  23.056  1.00 18.67           C  
-ATOM     77  CE  LYS A  48      25.537  41.216  24.177  1.00 22.44           C  
-ATOM     78  NZ  LYS A  48      26.214  40.877  25.469  1.00 25.91           N  
-ATOM     79  N   PHE A  49      25.456  42.142  17.917  1.00 11.49           N  
-ATOM     80  CA  PHE A  49      26.418  42.454  16.868  1.00 11.76           C  
-ATOM     81  C   PHE A  49      27.561  43.268  17.440  1.00 12.53           C  
-ATOM     82  O   PHE A  49      27.326  44.236  18.143  1.00 15.12           O  
-ATOM     83  CB  PHE A  49      25.762  43.260  15.761  1.00 12.11           C  
-ATOM     84  CG  PHE A  49      24.744  42.502  14.972  1.00 11.29           C  
-ATOM     85  CD1 PHE A  49      25.135  41.525  14.085  1.00 12.41           C  
-ATOM     86  CD2 PHE A  49      23.390  42.803  15.047  1.00 12.25           C  
-ATOM     87  CE1 PHE A  49      24.228  40.859  13.309  1.00 12.70           C  
-ATOM     88  CE2 PHE A  49      22.463  42.120  14.280  1.00 13.88           C  
-ATOM     89  CZ  PHE A  49      22.880  41.149  13.412  1.00 13.18           C  
-ATOM     90  N   GLU A  50      28.788  42.905  17.077  1.00 13.15           N  
-ATOM     91  CA  GLU A  50      29.957  43.694  17.415  1.00 14.34           C  
-ATOM     92  C   GLU A  50      30.617  44.184  16.132  1.00 14.31           C  
-ATOM     93  O   GLU A  50      30.972  43.389  15.272  1.00 14.21           O  
-ATOM     94  CB  GLU A  50      30.955  42.868  18.233  1.00 15.28           C  
-ATOM     95  CG  GLU A  50      32.216  43.636  18.577  1.00 17.58           C  
-ATOM     96  CD  GLU A  50      33.226  42.823  19.352  1.00 19.25           C  
-ATOM     97  OE1 GLU A  50      32.837  42.083  20.281  1.00 24.42           O  
-ATOM     98  OE2 GLU A  50      34.424  42.945  19.023  1.00 22.72           O  
-ATOM     99  N   HIS A  51      30.799  45.493  16.013  1.00 14.50           N  
-ATOM    100  CA  HIS A  51      31.513  46.058  14.886  1.00 15.60           C  
-ATOM    101  C   HIS A  51      32.498  47.089  15.398  1.00 16.00           C  
-ATOM    102  O   HIS A  51      32.104  48.056  16.063  1.00 17.39           O  
-ATOM    103  CB  HIS A  51      30.586  46.702  13.874  1.00 16.05           C  
-ATOM    104  CG  HIS A  51      31.295  47.104  12.627  1.00 17.56           C  
-ATOM    105  ND1 HIS A  51      31.147  48.349  12.057  1.00 21.54           N  
-ATOM    106  CD2 HIS A  51      32.202  46.443  11.866  1.00 18.72           C  
-ATOM    107  CE1 HIS A  51      31.915  48.425  10.986  1.00 21.69           C  
-ATOM    108  NE2 HIS A  51      32.574  47.289  10.853  1.00 20.79           N  
-ATOM    109  N   ASN A  52      33.785  46.884  15.112  1.00 16.06           N  
-ATOM    110  CA  ASN A  52      34.864  47.773  15.556  1.00 17.50           C  
-ATOM    111  C   ASN A  52      34.765  48.070  17.047  1.00 18.33           C  
-ATOM    112  O   ASN A  52      34.934  49.207  17.479  1.00 20.27           O  
-ATOM    113  CB  ASN A  52      34.916  49.051  14.714  1.00 17.99           C  
-ATOM    114  CG  ASN A  52      35.329  48.782  13.281  1.00 19.91           C  
-ATOM    115  OD1 ASN A  52      36.087  47.858  13.001  1.00 22.04           O  
-ATOM    116  ND2 ASN A  52      34.839  49.599  12.368  1.00 25.26           N  
-ATOM    117  N   GLY A  53      34.553  47.019  17.830  1.00 19.18           N  
-ATOM    118  CA  GLY A  53      34.529  47.067  19.295  1.00 20.79           C  
-ATOM    119  C   GLY A  53      33.240  47.559  19.932  1.00 21.83           C  
-ATOM    120  O   GLY A  53      33.130  47.560  21.163  1.00 24.88           O  
-ATOM    121  N   GLU A  54      32.271  47.983  19.118  1.00 21.60           N  
-ATOM    122  CA  GLU A  54      30.998  48.511  19.599  1.00 21.51           C  
-ATOM    123  C   GLU A  54      29.940  47.433  19.437  1.00 20.77           C  
-ATOM    124  O   GLU A  54      29.896  46.759  18.404  1.00 20.26           O  
-ATOM    125  CB  GLU A  54      30.589  49.734  18.789  1.00 22.03           C  
-ATOM    126  N   ARG A  55      29.119  47.254  20.460  1.00 19.88           N  
-ATOM    127  CA  ARG A  55      28.112  46.198  20.455  1.00 20.20           C  
-ATOM    128  C   ARG A  55      26.708  46.762  20.532  1.00 18.87           C  
-ATOM    129  O   ARG A  55      26.457  47.791  21.183  1.00 20.60           O  
-ATOM    130  CB  ARG A  55      28.364  45.234  21.619  1.00 20.69           C  
-ATOM    131  CG  ARG A  55      29.734  44.596  21.557  1.00 23.28           C  
-ATOM    132  CD  ARG A  55      30.017  43.618  22.686  1.00 25.37           C  
-ATOM    133  NE  ARG A  55      31.410  43.179  22.618  1.00 29.25           N  
-ATOM    134  CZ  ARG A  55      32.445  43.799  23.187  1.00 30.72           C  
-ATOM    135  NH1 ARG A  55      32.288  44.914  23.896  1.00 29.86           N  
-ATOM    136  NH2 ARG A  55      33.665  43.290  23.048  1.00 30.74           N  
-ATOM    137  N   ARG A  56      25.784  46.091  19.856  1.00 17.27           N  
-ATOM    138  CA  ARG A  56      24.370  46.401  19.999  1.00 17.42           C  
-ATOM    139  C   ARG A  56      23.547  45.166  19.763  1.00 16.30           C  
-ATOM    140  O   ARG A  56      23.956  44.271  19.046  1.00 17.30           O  
-ATOM    141  CB  ARG A  56      23.982  47.470  19.010  1.00 17.91           C  
-ATOM    142  CG  ARG A  56      23.988  47.010  17.580  1.00 18.72           C  
-ATOM    143  CD  ARG A  56      23.696  48.144  16.638  1.00 22.14           C  
-ATOM    144  NE  ARG A  56      24.849  49.022  16.511  1.00 23.09           N  
-ATOM    145  CZ  ARG A  56      24.866  50.157  15.831  1.00 24.58           C  
-ATOM    146  NH1 ARG A  56      23.776  50.604  15.207  1.00 23.33           N  
-ATOM    147  NH2 ARG A  56      25.986  50.861  15.796  1.00 26.35           N  
-ATOM    148  N   ILE A  57      22.374  45.142  20.357  1.00 14.92           N  
-ATOM    149  CA  ILE A  57      21.492  43.992  20.269  1.00 14.23           C  
-ATOM    150  C   ILE A  57      20.332  44.340  19.350  1.00 13.32           C  
-ATOM    151  O   ILE A  57      19.701  45.396  19.504  1.00 15.00           O  
-ATOM    152  CB  ILE A  57      20.974  43.583  21.651  1.00 16.20           C  
-ATOM    153  CG1 ILE A  57      22.170  43.165  22.532  1.00 20.07           C  
-ATOM    154  CG2 ILE A  57      19.937  42.462  21.497  1.00 17.61           C  
-ATOM    155  CD1 ILE A  57      21.856  42.958  23.958  1.00 23.10           C  
-ATOM    156  N   ILE A  58      20.068  43.456  18.394  1.00 11.86           N  
-ATOM    157  CA  ILE A  58      18.934  43.584  17.512  1.00 12.55           C  
-ATOM    158  C   ILE A  58      18.164  42.267  17.550  1.00 12.42           C  
-ATOM    159  O   ILE A  58      18.748  41.204  17.444  1.00 12.30           O  
-ATOM    160  CB  ILE A  58      19.402  43.931  16.072  1.00 13.17           C  
-ATOM    161  CG1 ILE A  58      20.184  45.249  16.090  1.00 14.84           C  
-ATOM    162  CG2 ILE A  58      18.209  44.001  15.156  1.00 14.02           C  
-ATOM    163  CD1 ILE A  58      20.728  45.662  14.762  1.00 15.26           C  
-ATOM    164  N   ALA A  59      16.850  42.362  17.723  1.00 12.43           N  
-ATOM    165  CA  ALA A  59      15.966  41.217  17.794  1.00 13.35           C  
-ATOM    166  C   ALA A  59      15.387  40.858  16.437  1.00 12.55           C  
-ATOM    167  O   ALA A  59      15.052  41.737  15.635  1.00 14.83           O  
-ATOM    168  CB  ALA A  59      14.849  41.484  18.813  1.00 14.31           C  
-ATOM    169  N   PHE A  60      15.282  39.556  16.187  1.00 12.83           N  
-ATOM    170  CA  PHE A  60      14.705  39.013  14.962  1.00 13.29           C  
-ATOM    171  C   PHE A  60      13.611  38.001  15.299  1.00 13.82           C  
-ATOM    172  O   PHE A  60      13.824  37.090  16.100  1.00 14.24           O  
-ATOM    173  CB  PHE A  60      15.793  38.312  14.118  1.00 12.84           C  
-ATOM    174  CG  PHE A  60      16.828  39.250  13.552  1.00 12.80           C  
-ATOM    175  CD1 PHE A  60      16.714  39.769  12.278  1.00 13.63           C  
-ATOM    176  CD2 PHE A  60      17.909  39.645  14.327  1.00 13.50           C  
-ATOM    177  CE1 PHE A  60      17.658  40.664  11.810  1.00 13.46           C  
-ATOM    178  CE2 PHE A  60      18.843  40.519  13.834  1.00 13.43           C  
-ATOM    179  CZ  PHE A  60      18.704  41.042  12.590  1.00 13.31           C  
-ATOM    180  N   SER A  61      12.456  38.118  14.654  1.00 15.50           N  
-ATOM    181  CA  SER A  61      11.407  37.121  14.822  1.00 16.79           C  
-ATOM    182  C   SER A  61      11.767  35.799  14.153  1.00 16.13           C  
-ATOM    183  O   SER A  61      12.394  35.780  13.089  1.00 16.33           O  
-ATOM    184  CB ASER A  61      10.086  37.652  14.283  0.50 17.77           C  
-ATOM    185  CB BSER A  61      10.104  37.628  14.199  0.50 17.85           C  
-ATOM    186  OG ASER A  61      10.205  37.927  12.910  0.50 19.50           O  
-ATOM    187  OG BSER A  61       9.596  38.741  14.901  0.50 20.22           O  
-ATOM    188  N   ARG A  62      11.348  34.700  14.772  1.00 15.77           N  
-ATOM    189  CA  ARG A  62      11.539  33.369  14.188  1.00 15.75           C  
-ATOM    190  C   ARG A  62      10.442  33.067  13.171  1.00 16.81           C  
-ATOM    191  O   ARG A  62       9.301  33.537  13.336  1.00 18.72           O  
-ATOM    192  CB  ARG A  62      11.521  32.298  15.267  1.00 15.75           C  
-ATOM    193  CG  ARG A  62      12.544  32.456  16.365  1.00 15.32           C  
-ATOM    194  CD  ARG A  62      12.409  31.330  17.355  1.00 15.62           C  
-ATOM    195  NE  ARG A  62      13.289  31.495  18.500  1.00 15.26           N  
-ATOM    196  CZ  ARG A  62      14.379  30.792  18.758  1.00 13.61           C  
-ATOM    197  NH1 ARG A  62      14.817  29.867  17.929  1.00 14.31           N  
-ATOM    198  NH2 ARG A  62      15.041  31.056  19.873  1.00 14.15           N  
-ATOM    199  N   PRO A  63      10.777  32.282  12.126  1.00 17.47           N  
-ATOM    200  CA  PRO A  63      12.105  31.770  11.793  1.00 17.16           C  
-ATOM    201  C   PRO A  63      13.007  32.873  11.250  1.00 16.56           C  
-ATOM    202  O   PRO A  63      12.577  33.685  10.423  1.00 17.95           O  
-ATOM    203  CB  PRO A  63      11.838  30.707  10.710  1.00 17.73           C  
-ATOM    204  CG  PRO A  63      10.413  30.641  10.532  1.00 20.04           C  
-ATOM    205  CD  PRO A  63       9.751  31.795  11.192  1.00 17.73           C  
-ATOM    206  N   VAL A  64      14.241  32.925  11.726  1.00 14.98           N  
-ATOM    207  CA  VAL A  64      15.173  33.965  11.312  1.00 13.98           C  
-ATOM    208  C   VAL A  64      15.772  33.573   9.966  1.00 14.18           C  
-ATOM    209  O   VAL A  64      16.398  32.510   9.848  1.00 15.03           O  
-ATOM    210  CB  VAL A  64      16.284  34.143  12.361  1.00 13.62           C  
-ATOM    211  CG1 VAL A  64      17.194  35.267  11.959  1.00 13.97           C  
-ATOM    212  CG2 VAL A  64      15.699  34.421  13.747  1.00 13.73           C  
-ATOM    213  N   LYS A  65      15.591  34.435   8.972  1.00 14.60           N  
-ATOM    214  CA  LYS A  65      16.106  34.211   7.626  1.00 14.23           C  
-ATOM    215  C   LYS A  65      17.455  34.885   7.435  1.00 13.42           C  
-ATOM    216  O   LYS A  65      17.617  36.048   7.759  1.00 13.44           O  
-ATOM    217  CB  LYS A  65      15.127  34.715   6.564  1.00 16.30           C  
-ATOM    218  CG  LYS A  65      13.793  34.023   6.621  1.00 19.97           C  
-ATOM    219  CD  LYS A  65      13.886  32.517   6.595  1.00 23.88           C  
-ATOM    220  N   TYR A  66      18.406  34.140   6.905  1.00 13.17           N  
-ATOM    221  CA  TYR A  66      19.753  34.649   6.643  1.00 13.50           C  
-ATOM    222  C   TYR A  66      19.716  35.951   5.854  1.00 13.32           C  
-ATOM    223  O   TYR A  66      20.375  36.909   6.210  1.00 12.65           O  
-ATOM    224  CB  TYR A  66      20.524  33.578   5.882  1.00 14.06           C  
-ATOM    225  CG  TYR A  66      21.954  33.917   5.611  1.00 13.70           C  
-ATOM    226  CD1 TYR A  66      22.917  33.764   6.599  1.00 13.85           C  
-ATOM    227  CD2 TYR A  66      22.360  34.385   4.370  1.00 13.20           C  
-ATOM    228  CE1 TYR A  66      24.214  34.053   6.363  1.00 14.43           C  
-ATOM    229  CE2 TYR A  66      23.682  34.685   4.127  1.00 14.57           C  
-ATOM    230  CZ  TYR A  66      24.607  34.507   5.137  1.00 14.93           C  
-ATOM    231  OH  TYR A  66      25.935  34.790   4.898  1.00 16.77           O  
-ATOM    232  N   GLU A  67      18.906  35.999   4.800  1.00 14.44           N  
-ATOM    233  CA  GLU A  67      18.868  37.176   3.954  1.00 15.74           C  
-ATOM    234  C   GLU A  67      18.321  38.397   4.712  1.00 15.42           C  
-ATOM    235  O   GLU A  67      18.724  39.537   4.444  1.00 15.41           O  
-ATOM    236  CB AGLU A  67      18.115  36.865   2.658  0.50 16.60           C  
-ATOM    237  CB BGLU A  67      18.033  36.925   2.695  0.50 16.48           C  
-ATOM    238  CG AGLU A  67      18.830  35.792   1.775  0.50 18.51           C  
-ATOM    239  CG BGLU A  67      16.555  36.593   2.940  0.50 17.96           C  
-ATOM    240  CD AGLU A  67      18.775  34.364   2.348  0.50 19.97           C  
-ATOM    241  CD BGLU A  67      16.240  35.087   3.005  0.50 19.08           C  
-ATOM    242  OE1AGLU A  67      17.826  34.062   3.108  0.50 19.12           O  
-ATOM    243  OE1BGLU A  67      17.135  34.281   3.351  0.50 19.17           O  
-ATOM    244  OE2AGLU A  67      19.671  33.537   2.029  0.50 21.61           O  
-ATOM    245  OE2BGLU A  67      15.071  34.705   2.726  0.50 21.31           O  
-ATOM    246  N   ASP A  68      17.473  38.161   5.702  1.00 15.06           N  
-ATOM    247  CA  ASP A  68      16.935  39.243   6.509  1.00 15.50           C  
-ATOM    248  C   ASP A  68      17.975  39.786   7.484  1.00 14.10           C  
-ATOM    249  O   ASP A  68      18.060  40.994   7.710  1.00 13.55           O  
-ATOM    250  CB  ASP A  68      15.694  38.769   7.274  1.00 16.65           C  
-ATOM    251  CG  ASP A  68      14.471  38.578   6.383  1.00 19.35           C  
-ATOM    252  OD1 ASP A  68      14.458  39.034   5.227  1.00 22.68           O  
-ATOM    253  OD2 ASP A  68      13.493  37.995   6.861  1.00 22.43           O  
-ATOM    254  N   VAL A  69      18.788  38.903   8.060  1.00 12.39           N  
-ATOM    255  CA  VAL A  69      19.877  39.360   8.922  1.00 12.04           C  
-ATOM    256  C   VAL A  69      20.883  40.164   8.098  1.00 11.89           C  
-ATOM    257  O   VAL A  69      21.300  41.240   8.503  1.00 11.38           O  
-ATOM    258  CB  VAL A  69      20.552  38.169   9.620  1.00 12.14           C  
-ATOM    259  CG1 VAL A  69      21.729  38.648  10.453  1.00 13.05           C  
-ATOM    260  CG2 VAL A  69      19.546  37.392  10.482  1.00 12.83           C  
-ATOM    261  N   GLU A  70      21.265  39.653   6.936  1.00 12.24           N  
-ATOM    262  CA  GLU A  70      22.220  40.355   6.088  1.00 12.98           C  
-ATOM    263  C   GLU A  70      21.687  41.745   5.724  1.00 12.29           C  
-ATOM    264  O   GLU A  70      22.396  42.738   5.784  1.00 12.50           O  
-ATOM    265  CB AGLU A  70      22.458  39.539   4.833  0.80 14.70           C  
-ATOM    266  CB BGLU A  70      22.445  39.628   4.756  0.20 12.80           C  
-ATOM    267  CG AGLU A  70      23.533  39.992   3.920  0.80 17.99           C  
-ATOM    268  CG BGLU A  70      23.148  38.295   4.817  0.20 12.23           C  
-ATOM    269  CD AGLU A  70      23.759  38.944   2.853  0.80 22.36           C  
-ATOM    270  CD BGLU A  70      23.447  37.743   3.425  0.20 12.78           C  
-ATOM    271  OE1AGLU A  70      24.685  38.127   3.000  0.80 25.29           O  
-ATOM    272  OE1BGLU A  70      22.510  37.612   2.603  0.20 12.46           O  
-ATOM    273  OE2AGLU A  70      22.951  38.887   1.906  0.80 26.82           O  
-ATOM    274  OE2BGLU A  70      24.620  37.423   3.154  0.20 13.68           O  
-ATOM    275  N   HIS A  71      20.431  41.812   5.313  1.00 12.50           N  
-ATOM    276  CA  HIS A  71      19.836  43.088   4.956  1.00 13.22           C  
-ATOM    277  C   HIS A  71      19.793  44.059   6.130  1.00 12.57           C  
-ATOM    278  O   HIS A  71      20.067  45.257   5.962  1.00 12.37           O  
-ATOM    279  CB  HIS A  71      18.431  42.866   4.422  1.00 14.78           C  
-ATOM    280  CG  HIS A  71      17.675  44.129   4.174  1.00 18.35           C  
-ATOM    281  ND1 HIS A  71      17.987  44.981   3.150  1.00 21.24           N  
-ATOM    282  CD2 HIS A  71      16.636  44.691   4.834  1.00 20.73           C  
-ATOM    283  CE1 HIS A  71      17.147  46.006   3.158  1.00 20.38           C  
-ATOM    284  NE2 HIS A  71      16.326  45.859   4.185  1.00 21.49           N  
-ATOM    285  N   LYS A  72      19.446  43.567   7.314  1.00 11.64           N  
-ATOM    286  CA  LYS A  72      19.399  44.441   8.479  1.00 11.87           C  
-ATOM    287  C   LYS A  72      20.783  44.974   8.801  1.00 11.38           C  
-ATOM    288  O   LYS A  72      20.942  46.139   9.111  1.00 11.93           O  
-ATOM    289  CB  LYS A  72      18.832  43.690   9.671  1.00 11.44           C  
-ATOM    290  CG  LYS A  72      18.563  44.566  10.892  1.00 11.70           C  
-ATOM    291  CD  LYS A  72      17.385  45.511  10.713  1.00 12.24           C  
-ATOM    292  CE  LYS A  72      16.974  46.161  12.023  1.00 12.34           C  
-ATOM    293  NZ  LYS A  72      15.686  46.901  11.872  1.00 12.49           N  
-ATOM    294  N   VAL A  73      21.805  44.125   8.717  1.00 11.48           N  
-ATOM    295  CA  VAL A  73      23.171  44.568   8.964  1.00 11.67           C  
-ATOM    296  C   VAL A  73      23.588  45.653   7.979  1.00 12.45           C  
-ATOM    297  O   VAL A  73      24.096  46.695   8.397  1.00 12.43           O  
-ATOM    298  CB  VAL A  73      24.129  43.374   8.921  1.00 11.60           C  
-ATOM    299  CG1 VAL A  73      25.586  43.808   8.890  1.00 13.28           C  
-ATOM    300  CG2 VAL A  73      23.918  42.494  10.168  1.00 12.99           C  
-ATOM    301  N   THR A  74      23.350  45.444   6.697  1.00 12.59           N  
-ATOM    302  CA  THR A  74      23.728  46.436   5.716  1.00 13.30           C  
-ATOM    303  C   THR A  74      23.008  47.771   5.976  1.00 13.86           C  
-ATOM    304  O   THR A  74      23.585  48.855   5.876  1.00 15.19           O  
-ATOM    305  CB  THR A  74      23.437  45.884   4.323  1.00 14.26           C  
-ATOM    306  OG1 THR A  74      24.222  44.697   4.109  1.00 15.65           O  
-ATOM    307  CG2 THR A  74      23.760  46.899   3.265  1.00 16.31           C  
-ATOM    308  N   THR A  75      21.736  47.671   6.326  1.00 12.93           N  
-ATOM    309  CA  THR A  75      20.927  48.860   6.576  1.00 13.45           C  
-ATOM    310  C   THR A  75      21.401  49.619   7.820  1.00 13.48           C  
-ATOM    311  O   THR A  75      21.552  50.842   7.806  1.00 15.40           O  
-ATOM    312  CB  THR A  75      19.460  48.420   6.763  1.00 13.81           C  
-ATOM    313  OG1 THR A  75      18.976  47.806   5.556  1.00 15.58           O  
-ATOM    314  CG2 THR A  75      18.572  49.577   7.155  1.00 14.41           C  
-ATOM    315  N   VAL A  76      21.624  48.892   8.910  1.00 14.19           N  
-ATOM    316  CA  VAL A  76      22.002  49.518  10.169  1.00 15.38           C  
-ATOM    317  C   VAL A  76      23.409  50.087  10.186  1.00 16.07           C  
-ATOM    318  O   VAL A  76      23.620  51.160  10.743  1.00 17.61           O  
-ATOM    319  CB  VAL A  76      21.852  48.530  11.334  1.00 16.09           C  
-ATOM    320  CG1 VAL A  76      22.564  49.042  12.613  1.00 16.91           C  
-ATOM    321  CG2 VAL A  76      20.377  48.228  11.561  1.00 16.02           C  
-ATOM    322  N   PHE A  77      24.368  49.358   9.616  1.00 16.07           N  
-ATOM    323  CA  PHE A  77      25.771  49.733   9.657  1.00 17.64           C  
-ATOM    324  C   PHE A  77      26.190  50.512   8.424  1.00 19.04           C  
-ATOM    325  O   PHE A  77      27.301  51.037   8.387  1.00 21.75           O  
-ATOM    326  CB  PHE A  77      26.637  48.483   9.882  1.00 17.66           C  
-ATOM    327  CG  PHE A  77      26.443  47.888  11.243  1.00 16.26           C  
-ATOM    328  CD1 PHE A  77      27.116  48.401  12.332  1.00 16.47           C  
-ATOM    329  CD2 PHE A  77      25.545  46.865  11.461  1.00 15.96           C  
-ATOM    330  CE1 PHE A  77      26.929  47.884  13.594  1.00 16.82           C  
-ATOM    331  CE2 PHE A  77      25.351  46.367  12.743  1.00 16.22           C  
-ATOM    332  CZ  PHE A  77      26.041  46.884  13.799  1.00 17.37           C  
-ATOM    333  N   GLY A  78      25.312  50.605   7.427  1.00 20.16           N  
-ATOM    334  CA  GLY A  78      25.580  51.429   6.252  1.00 20.93           C  
-ATOM    335  C   GLY A  78      26.584  50.843   5.287  1.00 20.91           C  
-ATOM    336  O   GLY A  78      27.083  51.544   4.407  1.00 22.52           O  
-ATOM    337  N   GLN A  79      26.882  49.552   5.438  1.00 20.12           N  
-ATOM    338  CA  GLN A  79      27.815  48.845   4.566  1.00 20.33           C  
-ATOM    339  C   GLN A  79      27.597  47.362   4.793  1.00 19.28           C  
-ATOM    340  O   GLN A  79      27.183  46.982   5.894  1.00 18.22           O  
-ATOM    341  CB  GLN A  79      29.260  49.214   4.905  1.00 21.11           C  
-ATOM    342  CG  GLN A  79      29.655  48.955   6.361  1.00 22.45           C  
-ATOM    343  CD  GLN A  79      31.094  49.335   6.675  1.00 23.38           C  
-ATOM    344  OE1 GLN A  79      32.014  49.000   5.929  1.00 27.57           O  
-ATOM    345  NE2 GLN A  79      31.292  50.026   7.790  1.00 26.01           N  
-ATOM    346  N   PRO A  80      27.875  46.531   3.774  1.00 19.35           N  
-ATOM    347  CA  PRO A  80      27.779  45.083   4.002  1.00 18.84           C  
-ATOM    348  C   PRO A  80      28.912  44.616   4.884  1.00 17.98           C  
-ATOM    349  O   PRO A  80      30.052  45.069   4.743  1.00 19.42           O  
-ATOM    350  CB  PRO A  80      27.922  44.479   2.606  1.00 19.53           C  
-ATOM    351  CG  PRO A  80      28.516  45.557   1.757  1.00 20.96           C  
-ATOM    352  CD  PRO A  80      28.253  46.871   2.386  1.00 20.08           C  
-ATOM    353  N   LEU A  81      28.593  43.704   5.786  1.00 15.87           N  
-ATOM    354  CA  LEU A  81      29.572  43.125   6.708  1.00 15.27           C  
-ATOM    355  C   LEU A  81      29.339  41.647   6.838  1.00 15.26           C  
-ATOM    356  O   LEU A  81      28.194  41.205   6.943  1.00 16.72           O  
-ATOM    357  CB  LEU A  81      29.429  43.787   8.077  1.00 15.25           C  
-ATOM    358  CG  LEU A  81      29.724  45.293   8.091  1.00 16.10           C  
-ATOM    359  CD1 LEU A  81      29.304  45.923   9.404  1.00 15.53           C  
-ATOM    360  CD2 LEU A  81      31.209  45.524   7.859  1.00 17.44           C  
-ATOM    361  N   ASP A  82      30.420  40.874   6.895  1.00 14.93           N  
-ATOM    362  CA  ASP A  82      30.321  39.432   7.062  1.00 14.98           C  
-ATOM    363  C   ASP A  82      29.958  39.085   8.500  1.00 13.41           C  
-ATOM    364  O   ASP A  82      30.416  39.741   9.417  1.00 13.77           O  
-ATOM    365  CB  ASP A  82      31.666  38.781   6.745  1.00 16.26           C  
-ATOM    366  CG  ASP A  82      32.047  38.867   5.282  1.00 19.86           C  
-ATOM    367  OD1 ASP A  82      31.150  38.945   4.422  1.00 22.68           O  
-ATOM    368  OD2 ASP A  82      33.265  38.797   4.991  1.00 25.00           O  
-ATOM    369  N   LEU A  83      29.158  38.037   8.660  1.00 13.06           N  
-ATOM    370  CA  LEU A  83      28.696  37.561   9.963  1.00 13.03           C  
-ATOM    371  C   LEU A  83      29.587  36.430  10.477  1.00 12.90           C  
-ATOM    372  O   LEU A  83      29.674  35.388   9.859  1.00 13.16           O  
-ATOM    373  CB  LEU A  83      27.292  36.969   9.859  1.00 14.04           C  
-ATOM    374  CG  LEU A  83      26.225  37.769   9.132  1.00 16.16           C  
-ATOM    375  CD1 LEU A  83      25.014  36.891   8.840  1.00 17.79           C  
-ATOM    376  CD2 LEU A  83      25.845  38.990   9.935  1.00 18.11           C  
-ATOM    377  N   HIS A  84      30.204  36.631  11.622  1.00 12.92           N  
-ATOM    378  CA  HIS A  84      31.010  35.592  12.234  1.00 13.19           C  
-ATOM    379  C   HIS A  84      30.445  35.253  13.611  1.00 12.64           C  
-ATOM    380  O   HIS A  84      30.468  36.088  14.500  1.00 14.11           O  
-ATOM    381  CB  HIS A  84      32.454  36.070  12.363  1.00 13.66           C  
-ATOM    382  CG  HIS A  84      33.138  36.363  11.062  1.00 15.03           C  
-ATOM    383  ND1 HIS A  84      34.051  35.501  10.487  1.00 14.51           N  
-ATOM    384  CD2 HIS A  84      33.062  37.438  10.238  1.00 15.71           C  
-ATOM    385  CE1 HIS A  84      34.482  36.021   9.350  1.00 15.49           C  
-ATOM    386  NE2 HIS A  84      33.900  37.200   9.176  1.00 16.54           N  
-ATOM    387  N   TYR A  85      29.912  34.055  13.778  1.00 12.12           N  
-ATOM    388  CA  TYR A  85      29.492  33.590  15.094  1.00 11.69           C  
-ATOM    389  C   TYR A  85      30.728  33.514  15.944  1.00 11.56           C  
-ATOM    390  O   TYR A  85      31.715  32.968  15.518  1.00 12.37           O  
-ATOM    391  CB  TYR A  85      28.809  32.183  15.043  1.00 13.55           C  
-ATOM    392  CG  TYR A  85      28.676  31.580  16.444  1.00 15.38           C  
-ATOM    393  CD1 TYR A  85      27.692  32.047  17.324  1.00 14.23           C  
-ATOM    394  CD2 TYR A  85      29.618  30.647  16.938  1.00 18.35           C  
-ATOM    395  CE1 TYR A  85      27.609  31.555  18.627  1.00 16.38           C  
-ATOM    396  CE2 TYR A  85      29.540  30.152  18.256  1.00 18.98           C  
-ATOM    397  CZ  TYR A  85      28.548  30.624  19.085  1.00 17.13           C  
-ATOM    398  OH  TYR A  85      28.475  30.154  20.380  1.00 18.82           O  
-ATOM    415  N   ASN A  87      32.467  32.776  19.960  1.00 14.71           N  
-ATOM    416  CA  ASN A  87      32.501  32.588  21.393  1.00 16.83           C  
-ATOM    417  C   ASN A  87      33.814  33.142  21.936  1.00 18.27           C  
-ATOM    418  O   ASN A  87      34.486  33.890  21.265  1.00 19.24           O  
-ATOM    419  CB  ASN A  87      32.167  31.135  21.762  1.00 17.65           C  
-ATOM    420  CG  ASN A  87      33.185  30.136  21.282  1.00 16.82           C  
-ATOM    421  OD1 ASN A  87      34.374  30.425  21.205  1.00 18.94           O  
-ATOM    422  ND2 ASN A  87      32.722  28.910  20.989  1.00 20.36           N  
-ATOM    423  N   ASN A  88      34.194  32.811  23.153  1.00 20.34           N  
-ATOM    424  CA  ASN A  88      35.409  33.415  23.694  1.00 21.92           C  
-ATOM    425  C   ASN A  88      36.692  32.956  23.012  1.00 22.22           C  
-ATOM    426  O   ASN A  88      37.723  33.663  23.078  1.00 24.52           O  
-ATOM    427  CB  ASN A  88      35.470  33.177  25.207  1.00 23.36           C  
-ATOM    428  CG  ASN A  88      34.381  33.913  25.945  1.00 26.20           C  
-ATOM    429  OD1 ASN A  88      34.068  35.061  25.621  1.00 26.68           O  
-ATOM    430  ND2 ASN A  88      33.816  33.274  26.969  1.00 30.90           N  
-ATOM    431  N   GLU A  89      36.639  31.794  22.363  1.00 20.55           N  
-ATOM    432  CA  GLU A  89      37.826  31.207  21.745  1.00 20.23           C  
-ATOM    433  C   GLU A  89      37.782  31.096  20.224  1.00 17.34           C  
-ATOM    434  O   GLU A  89      38.819  31.134  19.609  1.00 17.73           O  
-ATOM    435  CB  GLU A  89      38.065  29.819  22.309  1.00 21.50           C  
-ATOM    436  CG  GLU A  89      38.075  29.762  23.830  1.00 26.31           C  
-ATOM    437  CD  GLU A  89      39.437  29.562  24.392  1.00 28.45           C  
-ATOM    438  OE1 GLU A  89      40.070  28.544  24.052  1.00 35.91           O  
-ATOM    439  OE2 GLU A  89      39.874  30.421  25.187  1.00 36.80           O  
-ATOM    440  N   LEU A  90      36.607  30.909  19.628  1.00 15.07           N  
-ATOM    441  CA  LEU A  90      36.494  30.559  18.212  1.00 15.10           C  
-ATOM    442  C   LEU A  90      35.522  31.513  17.535  1.00 13.66           C  
-ATOM    443  O   LEU A  90      34.586  32.004  18.154  1.00 15.25           O  
-ATOM    444  CB  LEU A  90      35.952  29.133  18.064  1.00 17.52           C  
-ATOM    445  CG  LEU A  90      36.785  28.023  18.668  1.00 22.04           C  
-ATOM    446  CD1 LEU A  90      36.031  26.706  18.513  1.00 24.81           C  
-ATOM    447  CD2 LEU A  90      38.154  27.984  18.027  1.00 23.44           C  
-ATOM    448  N   SER A  91      35.731  31.764  16.247  1.00 12.01           N  
-ATOM    449  CA  SER A  91      34.679  32.340  15.443  1.00 12.34           C  
-ATOM    450  C   SER A  91      34.539  31.563  14.149  1.00 11.69           C  
-ATOM    451  O   SER A  91      35.493  30.956  13.668  1.00 11.97           O  
-ATOM    452  CB  SER A  91      34.849  33.830  15.162  1.00 13.34           C  
-ATOM    453  OG  SER A  91      35.823  34.085  14.172  1.00 15.46           O  
-ATOM    454  N   ILE A  92      33.337  31.619  13.574  1.00 10.97           N  
-ATOM    455  CA  ILE A  92      33.025  30.892  12.365  1.00 12.64           C  
-ATOM    456  C   ILE A  92      32.148  31.760  11.480  1.00 10.24           C  
-ATOM    457  O   ILE A  92      31.120  32.240  11.911  1.00 11.15           O  
-ATOM    458  CB  ILE A  92      32.287  29.561  12.722  1.00 14.48           C  
-ATOM    459  CG1 ILE A  92      33.046  28.703  13.762  1.00 18.12           C  
-ATOM    460  CG2 ILE A  92      31.995  28.786  11.444  1.00 17.83           C  
-ATOM    461  CD1 ILE A  92      32.205  27.646  14.418  1.00 18.85           C  
-ATOM    462  N   LEU A  93      32.550  31.913  10.225  1.00 10.47           N  
-ATOM    463  CA  LEU A  93      31.770  32.659   9.261  1.00 11.62           C  
-ATOM    464  C   LEU A  93      30.459  31.951   9.009  1.00 11.82           C  
-ATOM    465  O   LEU A  93      30.430  30.762   8.730  1.00 13.22           O  
-ATOM    466  CB  LEU A  93      32.562  32.740   7.947  1.00 12.68           C  
-ATOM    467  CG  LEU A  93      31.904  33.436   6.769  1.00 14.33           C  
-ATOM    468  CD1 LEU A  93      31.785  34.910   6.965  1.00 16.76           C  
-ATOM    469  CD2 LEU A  93      32.662  33.164   5.496  1.00 15.29           C  
-ATOM    470  N   LEU A  94      29.369  32.706   9.044  1.00 10.70           N  
-ATOM    471  CA  LEU A  94      28.041  32.182   8.697  1.00 11.34           C  
-ATOM    472  C   LEU A  94      27.747  32.544   7.247  1.00 11.73           C  
-ATOM    473  O   LEU A  94      27.589  33.724   6.914  1.00 12.71           O  
-ATOM    474  CB  LEU A  94      26.980  32.758   9.630  1.00 11.56           C  
-ATOM    475  CG  LEU A  94      27.236  32.550  11.124  1.00 10.68           C  
-ATOM    476  CD1 LEU A  94      26.106  33.156  11.914  1.00 12.47           C  
-ATOM    477  CD2 LEU A  94      27.438  31.111  11.496  1.00 12.68           C  
-ATOM    478  N   LYS A  95      27.699  31.517   6.396  1.00 12.34           N  
-ATOM    479  CA  LYS A  95      27.682  31.695   4.954  1.00 13.62           C  
-ATOM    480  C   LYS A  95      26.289  31.605   4.362  1.00 13.03           C  
-ATOM    481  O   LYS A  95      26.063  32.039   3.225  1.00 13.21           O  
-ATOM    482  CB  LYS A  95      28.553  30.623   4.275  1.00 14.31           C  
-ATOM    483  CG  LYS A  95      29.962  30.573   4.777  1.00 16.40           C  
-ATOM    484  CD  LYS A  95      30.805  29.454   4.210  1.00 18.01           C  
-ATOM    485  CE  LYS A  95      30.336  28.078   4.588  1.00 21.19           C  
-ATOM    486  NZ  LYS A  95      30.306  27.809   6.041  1.00 23.38           N  
-ATOM    487  N   ASN A  96      25.354  31.018   5.104  1.00 11.79           N  
-ATOM    488  CA  ASN A  96      24.060  30.667   4.541  1.00 12.31           C  
-ATOM    489  C   ASN A  96      23.076  30.343   5.667  1.00 11.84           C  
-ATOM    490  O   ASN A  96      23.429  30.338   6.847  1.00 11.19           O  
-ATOM    491  CB  ASN A  96      24.217  29.490   3.561  1.00 12.84           C  
-ATOM    492  CG  ASN A  96      24.892  28.302   4.186  1.00 13.36           C  
-ATOM    493  OD1 ASN A  96      24.638  27.973   5.333  1.00 15.35           O  
-ATOM    494  ND2 ASN A  96      25.821  27.686   3.452  1.00 19.22           N  
-ATOM    495  N   GLN A  97      21.848  30.049   5.278  1.00 12.08           N  
-ATOM    496  CA  GLN A  97      20.788  29.716   6.213  1.00 12.41           C  
-ATOM    497  C   GLN A  97      21.150  28.540   7.109  1.00 12.62           C  
-ATOM    498  O   GLN A  97      20.852  28.545   8.303  1.00 12.86           O  
-ATOM    499  CB  GLN A  97      19.495  29.412   5.443  1.00 13.10           C  
-ATOM    500  CG  GLN A  97      18.313  29.237   6.334  1.00 12.55           C  
-ATOM    501  CD  GLN A  97      17.893  30.526   7.003  1.00 12.96           C  
-ATOM    502  OE1 GLN A  97      17.694  31.533   6.330  1.00 15.37           O  
-ATOM    503  NE2 GLN A  97      17.787  30.522   8.329  1.00 14.54           N  
-ATOM    504  N   ASP A  98      21.767  27.507   6.551  1.00 13.17           N  
-ATOM    505  CA  ASP A  98      22.105  26.324   7.356  1.00 14.45           C  
-ATOM    506  C   ASP A  98      23.077  26.688   8.465  1.00 13.12           C  
-ATOM    507  O   ASP A  98      22.929  26.246   9.602  1.00 13.06           O  
-ATOM    508  CB  ASP A  98      22.705  25.206   6.470  1.00 16.41           C  
-ATOM    509  CG  ASP A  98      21.682  24.516   5.589  1.00 21.96           C  
-ATOM    510  OD1 ASP A  98      20.462  24.605   5.836  1.00 26.75           O  
-ATOM    511  OD2 ASP A  98      22.120  23.859   4.624  1.00 30.97           O  
-ATOM    512  N   ASP A  99      24.086  27.493   8.138  1.00 11.57           N  
-ATOM    513  CA  ASP A  99      25.038  27.922   9.164  1.00 11.91           C  
-ATOM    514  C   ASP A  99      24.331  28.741  10.239  1.00 10.77           C  
-ATOM    515  O   ASP A  99      24.580  28.576  11.422  1.00 10.38           O  
-ATOM    516  CB  ASP A  99      26.158  28.793   8.567  1.00 11.92           C  
-ATOM    517  CG  ASP A  99      27.123  28.055   7.643  1.00 13.92           C  
-ATOM    518  OD1 ASP A  99      27.180  26.805   7.633  1.00 17.42           O  
-ATOM    519  OD2 ASP A  99      27.879  28.801   6.961  1.00 15.87           O  
-ATOM    520  N   LEU A 100      23.477  29.660   9.824  1.00 10.28           N  
-ATOM    521  CA  LEU A 100      22.748  30.494  10.779  1.00  9.94           C  
-ATOM    522  C   LEU A 100      21.848  29.642  11.686  1.00  9.58           C  
-ATOM    523  O   LEU A 100      21.794  29.837  12.903  1.00  9.66           O  
-ATOM    524  CB  LEU A 100      21.929  31.564  10.064  1.00 10.43           C  
-ATOM    525  CG  LEU A 100      21.067  32.462  10.955  1.00 11.28           C  
-ATOM    526  CD1 LEU A 100      21.893  33.267  11.979  1.00 12.89           C  
-ATOM    527  CD2 LEU A 100      20.256  33.395  10.106  1.00 12.93           C  
-ATOM    528  N   ASP A 101      21.162  28.664  11.088  1.00 10.92           N  
-ATOM    529  CA  ASP A 101      20.294  27.781  11.880  1.00 11.17           C  
-ATOM    530  C   ASP A 101      21.097  27.017  12.938  1.00 10.48           C  
-ATOM    531  O   ASP A 101      20.651  26.845  14.082  1.00 10.74           O  
-ATOM    532  CB  ASP A 101      19.548  26.775  10.988  1.00 12.21           C  
-ATOM    533  CG  ASP A 101      18.562  27.416  10.055  1.00 16.06           C  
-ATOM    534  OD1 ASP A 101      18.127  28.546  10.319  1.00 17.10           O  
-ATOM    535  OD2 ASP A 101      18.193  26.755   9.059  1.00 19.35           O  
-ATOM    536  N   LYS A 102      22.300  26.570  12.586  1.00 10.95           N  
-ATOM    537  CA  LYS A 102      23.145  25.850  13.538  1.00 11.70           C  
-ATOM    538  C   LYS A 102      23.634  26.773  14.635  1.00 10.78           C  
-ATOM    539  O   LYS A 102      23.698  26.358  15.793  1.00 11.78           O  
-ATOM    540  CB  LYS A 102      24.320  25.190  12.798  1.00 13.03           C  
-ATOM    541  CG  LYS A 102      23.887  23.964  12.002  1.00 15.92           C  
-ATOM    542  CD  LYS A 102      23.460  22.849  12.936  1.00 20.89           C  
-ATOM    543  N   ALA A 103      23.922  28.027  14.316  1.00  9.82           N  
-ATOM    544  CA  ALA A 103      24.321  28.973  15.347  1.00 10.50           C  
-ATOM    545  C   ALA A 103      23.171  29.281  16.305  1.00 10.56           C  
-ATOM    546  O   ALA A 103      23.362  29.289  17.525  1.00 10.75           O  
-ATOM    547  CB  ALA A 103      24.858  30.226  14.706  1.00 10.83           C  
-ATOM    548  N   ILE A 104      21.963  29.448  15.765  1.00 10.40           N  
-ATOM    549  CA  ILE A 104      20.798  29.669  16.600  1.00 11.21           C  
-ATOM    550  C   ILE A 104      20.533  28.451  17.478  1.00 11.13           C  
-ATOM    551  O   ILE A 104      20.066  28.585  18.624  1.00 12.32           O  
-ATOM    552  CB  ILE A 104      19.579  30.103  15.760  1.00 10.84           C  
-ATOM    553  CG1 ILE A 104      19.815  31.521  15.203  1.00 12.91           C  
-ATOM    554  CG2 ILE A 104      18.303  30.027  16.595  1.00 12.31           C  
-ATOM    555  CD1 ILE A 104      18.844  31.990  14.130  1.00 14.17           C  
-ATOM    556  N   ASP A 105      20.832  27.265  16.969  1.00 11.63           N  
-ATOM    557  CA  ASP A 105      20.655  26.096  17.787  1.00 12.45           C  
-ATOM    558  C   ASP A 105      21.607  26.041  18.967  1.00 12.76           C  
-ATOM    559  O   ASP A 105      21.239  25.541  20.016  1.00 13.46           O  
-ATOM    560  CB  ASP A 105      20.700  24.808  17.004  1.00 13.22           C  
-ATOM    561  CG  ASP A 105      20.015  23.675  17.768  1.00 16.47           C  
-ATOM    562  OD1 ASP A 105      18.892  23.886  18.305  1.00 19.69           O  
-ATOM    563  OD2 ASP A 105      20.601  22.593  17.884  1.00 21.50           O  
-ATOM    564  N   ILE A 106      22.825  26.569  18.820  1.00 12.50           N  
-ATOM    565  CA  ILE A 106      23.724  26.695  19.972  1.00 13.38           C  
-ATOM    566  C   ILE A 106      23.084  27.556  21.044  1.00 13.27           C  
-ATOM    567  O   ILE A 106      23.028  27.192  22.231  1.00 13.90           O  
-ATOM    568  CB  ILE A 106      25.080  27.275  19.588  1.00 14.66           C  
-ATOM    569  CG1 ILE A 106      25.783  26.350  18.619  1.00 15.60           C  
-ATOM    570  CG2 ILE A 106      25.942  27.514  20.831  1.00 16.59           C  
-ATOM    571  CD1 ILE A 106      27.061  26.992  18.037  1.00 17.47           C  
-ATOM    572  N   LEU A 107      22.598  28.709  20.626  1.00 12.62           N  
-ATOM    573  CA  LEU A 107      21.872  29.619  21.494  1.00 13.16           C  
-ATOM    574  C   LEU A 107      20.728  28.902  22.211  1.00 12.62           C  
-ATOM    575  O   LEU A 107      20.588  28.971  23.432  1.00 13.58           O  
-ATOM    576  CB  LEU A 107      21.328  30.791  20.676  1.00 12.94           C  
-ATOM    577  CG  LEU A 107      20.334  31.702  21.369  1.00 13.10           C  
-ATOM    578  CD1 LEU A 107      20.947  32.502  22.491  1.00 14.95           C  
-ATOM    579  CD2 LEU A 107      19.658  32.610  20.375  1.00 14.74           C  
-ATOM    580  N   ASP A 108      19.924  28.174  21.462  1.00 12.59           N  
-ATOM    581  CA  ASP A 108      18.752  27.545  22.038  1.00 14.21           C  
-ATOM    582  C   ASP A 108      19.080  26.394  22.974  1.00 14.20           C  
-ATOM    583  O   ASP A 108      18.335  26.135  23.933  1.00 16.05           O  
-ATOM    584  CB  ASP A 108      17.807  27.069  20.944  1.00 14.06           C  
-ATOM    585  CG  ASP A 108      17.151  28.212  20.186  1.00 13.72           C  
-ATOM    586  OD1 ASP A 108      17.153  29.374  20.688  1.00 14.45           O  
-ATOM    587  OD2 ASP A 108      16.641  27.951  19.065  1.00 14.07           O  
-ATOM    588  N   ARG A 109      20.181  25.703  22.733  1.00 14.84           N  
-ATOM    589  CA  ARG A 109      20.591  24.613  23.610  1.00 16.76           C  
-ATOM    590  C   ARG A 109      21.269  25.077  24.881  1.00 17.64           C  
-ATOM    591  O   ARG A 109      21.387  24.303  25.830  1.00 20.48           O  
-ATOM    592  CB  ARG A 109      21.486  23.626  22.882  1.00 17.22           C  
-ATOM    593  CG  ARG A 109      20.722  22.837  21.871  1.00 19.81           C  
-ATOM    594  CD  ARG A 109      21.645  21.991  21.024  1.00 25.26           C  
-ATOM    595  NE  ARG A 109      20.862  21.079  20.202  1.00 27.52           N  
-ATOM    596  CZ  ARG A 109      20.505  19.851  20.561  1.00 29.31           C  
-ATOM    597  NH1 ARG A 109      20.836  19.355  21.751  1.00 30.27           N  
-ATOM    598  NH2 ARG A 109      19.789  19.124  19.718  1.00 29.92           N  
-ATOM    599  N   SER A 110      21.712  26.327  24.927  1.00 16.80           N  
-ATOM    600  CA  SER A 110      22.422  26.833  26.097  1.00 18.26           C  
-ATOM    601  C   SER A 110      21.469  27.505  27.063  1.00 18.47           C  
-ATOM    602  O   SER A 110      20.746  28.418  26.694  1.00 19.41           O  
-ATOM    603  CB  SER A 110      23.467  27.854  25.677  1.00 18.10           C  
-ATOM    604  OG  SER A 110      23.948  28.527  26.833  1.00 19.38           O  
-ATOM    605  N   SER A 111      21.499  27.104  28.326  1.00 19.46           N  
-ATOM    606  CA  SER A 111      20.669  27.777  29.333  1.00 20.16           C  
-ATOM    607  C   SER A 111      21.158  29.188  29.685  1.00 18.73           C  
-ATOM    608  O   SER A 111      20.362  30.068  30.014  1.00 20.61           O  
-ATOM    609  CB  SER A 111      20.549  26.950  30.622  1.00 21.55           C  
-ATOM    610  OG  SER A 111      21.809  26.543  31.090  1.00 25.18           O  
-ATOM    611  N   SER A 112      22.457  29.422  29.577  1.00 18.10           N  
-ATOM    612  CA  SER A 112      23.009  30.708  29.971  1.00 18.60           C  
-ATOM    613  C   SER A 112      23.065  31.743  28.874  1.00 17.85           C  
-ATOM    614  O   SER A 112      23.060  32.938  29.181  1.00 19.02           O  
-ATOM    615  CB  SER A 112      24.415  30.523  30.530  1.00 19.66           C  
-ATOM    616  OG  SER A 112      25.207  29.826  29.607  1.00 23.37           O  
-ATOM    629  N   LYS A 114      21.844  34.196  26.231  1.00 15.05           N  
-ATOM    630  CA  LYS A 114      20.610  34.945  26.049  1.00 15.03           C  
-ATOM    631  C   LYS A 114      20.608  35.775  24.755  1.00 14.55           C  
-ATOM    632  O   LYS A 114      19.569  36.347  24.371  1.00 14.89           O  
-ATOM    633  CB  LYS A 114      20.326  35.837  27.269  1.00 16.56           C  
-ATOM    634  CG  LYS A 114      20.249  35.106  28.629  1.00 18.91           C  
-ATOM    635  CD  LYS A 114      19.114  34.136  28.671  1.00 18.90           C  
-ATOM    636  CE  LYS A 114      18.971  33.443  30.045  1.00 18.65           C  
-ATOM    637  NZ  LYS A 114      18.474  34.281  31.187  1.00 17.86           N  
-ATOM    638  N   SER A 115      21.765  35.837  24.097  1.00 13.86           N  
-ATOM    639  CA  SER A 115      21.861  36.461  22.791  1.00 13.15           C  
-ATOM    640  C   SER A 115      22.917  35.740  21.969  1.00 12.68           C  
-ATOM    641  O   SER A 115      23.797  35.049  22.512  1.00 14.34           O  
-ATOM    642  CB  SER A 115      22.173  37.954  22.905  1.00 14.52           C  
-ATOM    643  OG  SER A 115      23.411  38.186  23.510  1.00 16.95           O  
-ATOM    644  N   LEU A 116      22.807  35.877  20.665  1.00 12.22           N  
-ATOM    645  CA  LEU A 116      23.710  35.261  19.734  1.00 12.58           C  
-ATOM    646  C   LEU A 116      24.834  36.243  19.409  1.00 12.87           C  
-ATOM    647  O   LEU A 116      24.572  37.297  18.850  1.00 12.55           O  
-ATOM    648  CB  LEU A 116      22.962  34.874  18.466  1.00 13.65           C  
-ATOM    649  CG  LEU A 116      23.787  34.042  17.496  1.00 14.23           C  
-ATOM    650  CD1 LEU A 116      24.058  32.657  18.074  1.00 16.19           C  
-ATOM    651  CD2 LEU A 116      23.087  33.961  16.161  1.00 15.63           C  
-ATOM    652  N   ARG A 117      26.074  35.900  19.753  1.00 13.21           N  
-ATOM    653  CA  ARG A 117      27.205  36.802  19.531  1.00 14.45           C  
-ATOM    654  C   ARG A 117      27.688  36.715  18.086  1.00 12.72           C  
-ATOM    655  O   ARG A 117      28.195  35.669  17.666  1.00 12.62           O  
-ATOM    656  CB AARG A 117      28.377  36.473  20.469  0.50 15.48           C  
-ATOM    657  CB BARG A 117      28.323  36.441  20.520  0.50 15.53           C  
-ATOM    658  CG AARG A 117      28.146  36.859  21.920  0.50 17.88           C  
-ATOM    659  CG BARG A 117      29.580  37.274  20.416  0.50 17.88           C  
-ATOM    660  CD AARG A 117      29.274  36.386  22.833  0.50 18.46           C  
-ATOM    661  CD BARG A 117      30.218  37.568  21.779  0.50 20.92           C  
-ATOM    662  NE AARG A 117      30.553  37.072  22.602  0.50 21.80           N  
-ATOM    663  NE BARG A 117      30.393  36.394  22.633  0.50 24.36           N  
-ATOM    664  CZ AARG A 117      31.734  36.643  23.057  0.50 22.95           C  
-ATOM    665  CZ BARG A 117      31.549  35.967  23.156  0.50 23.87           C  
-ATOM    666  NH1AARG A 117      31.827  35.509  23.748  0.50 22.82           N  
-ATOM    667  NH1BARG A 117      32.702  36.592  22.936  0.50 23.49           N  
-ATOM    668  NH2AARG A 117      32.838  37.332  22.801  0.50 22.80           N  
-ATOM    669  NH2BARG A 117      31.544  34.882  23.918  0.50 22.18           N  
-ATOM    670  N   ILE A 118      27.615  37.817  17.360  1.00 11.62           N  
-ATOM    671  CA  ILE A 118      28.075  37.903  15.988  1.00 12.44           C  
-ATOM    672  C   ILE A 118      29.078  39.035  15.833  1.00 12.62           C  
-ATOM    673  O   ILE A 118      28.754  40.195  16.110  1.00 14.29           O  
-ATOM    674  CB  ILE A 118      26.894  38.128  15.013  1.00 12.58           C  
-ATOM    675  CG1AILE A 118      25.873  36.995  15.087  0.50 12.49           C  
-ATOM    676  CG1BILE A 118      25.962  36.896  15.060  0.50 13.81           C  
-ATOM    677  CG2 ILE A 118      27.424  38.389  13.606  1.00 13.27           C  
-ATOM    678  CD1AILE A 118      26.361  35.693  14.594  0.50 10.68           C  
-ATOM    679  CD1BILE A 118      24.953  36.715  13.879  0.50 14.43           C  
-ATOM    680  N   LEU A 119      30.290  38.683  15.415  1.00 11.89           N  
-ATOM    681  CA  LEU A 119      31.324  39.650  15.083  1.00 12.73           C  
-ATOM    682  C   LEU A 119      31.155  40.024  13.615  1.00 11.87           C  
-ATOM    683  O   LEU A 119      31.058  39.142  12.757  1.00 12.79           O  
-ATOM    684  CB  LEU A 119      32.692  39.009  15.306  1.00 13.49           C  
-ATOM    685  CG  LEU A 119      33.878  39.838  14.850  1.00 14.76           C  
-ATOM    686  CD1 LEU A 119      34.034  41.095  15.670  1.00 15.43           C  
-ATOM    687  CD2 LEU A 119      35.135  38.995  14.993  1.00 17.10           C  
-ATOM    688  N   LEU A 120      31.076  41.325  13.324  1.00 11.66           N  
-ATOM    689  CA  LEU A 120      30.945  41.823  11.964  1.00 11.59           C  
-ATOM    690  C   LEU A 120      32.298  42.299  11.458  1.00 12.60           C  
-ATOM    691  O   LEU A 120      32.977  43.102  12.117  1.00 14.44           O  
-ATOM    692  CB  LEU A 120      29.969  42.995  11.962  1.00 11.71           C  
-ATOM    693  CG  LEU A 120      28.537  42.609  12.356  1.00 11.78           C  
-ATOM    694  CD1 LEU A 120      27.681  43.854  12.443  1.00 12.04           C  
-ATOM    695  CD2 LEU A 120      27.912  41.641  11.388  1.00 10.92           C  
-ATOM    696  N   LEU A 121      32.683  41.798  10.300  1.00 13.45           N  
-ATOM    697  CA  LEU A 121      33.952  42.182   9.677  1.00 15.36           C  
-ATOM    698  C   LEU A 121      33.725  42.571   8.235  1.00 17.77           C  
-ATOM    699  O   LEU A 121      32.951  41.923   7.526  1.00 17.87           O  
-ATOM    700  CB  LEU A 121      34.948  41.018   9.739  1.00 15.63           C  
-ATOM    701  CG  LEU A 121      35.451  40.631  11.138  1.00 16.20           C  
-ATOM    702  CD1 LEU A 121      36.303  39.367  11.083  1.00 18.72           C  
-ATOM    703  CD2 LEU A 121      36.189  41.781  11.813  1.00 17.53           C  
-ATOM    704  N   SER A 122      34.402  43.629   7.797  1.00 20.49           N  
-ATOM    705  CA  SER A 122      34.335  44.047   6.403  1.00 22.73           C  
-ATOM    706  C   SER A 122      35.216  43.094   5.632  1.00 23.88           C  
-ATOM    707  O   SER A 122      36.364  42.838   6.041  1.00 25.05           O  
-ATOM    708  CB  SER A 122      34.807  45.494   6.240  1.00 24.13           C  
-ATOM    709  OG  SER A 122      34.476  45.994   4.954  1.00 27.72           O  

Deleted: SwiftApps/modFTDock/input/2do1-1.pdb
===================================================================
--- SwiftApps/modFTDock/input/2do1-1.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/2do1-1.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,828 +0,0 @@
-ATOM      1  N   GLY A  -2      15.267   5.033 -18.791  1.00  0.00           N  
-ATOM      2  CA  GLY A  -2      16.009   5.034 -20.038  1.00  0.00           C  
-ATOM      3  C   GLY A  -2      16.181   3.641 -20.611  1.00  0.00           C  
-ATOM      4  O   GLY A  -2      15.734   3.360 -21.723  1.00  0.00           O  
-ATOM      5  H1  GLY A  -2      15.748   5.033 -17.937  1.00  0.00           H  
-ATOM      6  HA2 GLY A  -2      15.483   5.645 -20.757  1.00  0.00           H  
-ATOM      7  HA3 GLY A  -2      16.985   5.462 -19.863  1.00  0.00           H  
-ATOM      8  N   SER A  -1      16.833   2.767 -19.851  1.00  0.00           N  
-ATOM      9  CA  SER A  -1      17.069   1.398 -20.292  1.00  0.00           C  
-ATOM     10  C   SER A  -1      17.044   0.434 -19.109  1.00  0.00           C  
-ATOM     11  O   SER A  -1      17.514   0.760 -18.019  1.00  0.00           O  
-ATOM     12  CB  SER A  -1      18.412   1.297 -21.018  1.00  0.00           C  
-ATOM     13  OG  SER A  -1      18.335   1.866 -22.314  1.00  0.00           O  
-ATOM     14  H   SER A  -1      17.166   3.051 -18.974  1.00  0.00           H  
-ATOM     15  HA  SER A  -1      16.278   1.129 -20.977  1.00  0.00           H  
-ATOM     16  HB2 SER A  -1      19.165   1.824 -20.452  1.00  0.00           H  
-ATOM     17  HB3 SER A  -1      18.692   0.258 -21.110  1.00  0.00           H  
-ATOM     18  HG  SER A  -1      18.088   1.188 -22.947  1.00  0.00           H  
-ATOM     19  N   SER A   0      16.493  -0.754 -19.334  1.00  0.00           N  
-ATOM     20  CA  SER A   0      16.403  -1.765 -18.287  1.00  0.00           C  
-ATOM     21  C   SER A   0      15.980  -1.138 -16.962  1.00  0.00           C  
-ATOM     22  O   SER A   0      16.516  -1.471 -15.906  1.00  0.00           O  
-ATOM     23  CB  SER A   0      17.746  -2.479 -18.121  1.00  0.00           C  
-ATOM     24  OG  SER A   0      17.572  -3.765 -17.552  1.00  0.00           O  
-ATOM     25  H   SER A   0      16.136  -0.955 -20.225  1.00  0.00           H  
-ATOM     26  HA  SER A   0      15.656  -2.486 -18.585  1.00  0.00           H  
-ATOM     27  HB2 SER A   0      18.215  -2.587 -19.087  1.00  0.00           H  
-ATOM     28  HB3 SER A   0      18.383  -1.895 -17.473  1.00  0.00           H  
-ATOM     29  HG  SER A   0      18.203  -4.376 -17.941  1.00  0.00           H  
-ATOM     30  N   GLY A   1      15.014  -0.227 -17.027  1.00  0.00           N  
-ATOM     31  CA  GLY A   1      14.534   0.433 -15.826  1.00  0.00           C  
-ATOM     32  C   GLY A   1      13.156  -0.045 -15.413  1.00  0.00           C  
-ATOM     33  O   GLY A   1      12.541  -0.858 -16.102  1.00  0.00           O  
-ATOM     34  H   GLY A   1      14.623  -0.002 -17.897  1.00  0.00           H  
-ATOM     35  HA2 GLY A   1      15.228   0.239 -15.021  1.00  0.00           H  
-ATOM     36  HA3 GLY A   1      14.495   1.497 -16.006  1.00  0.00           H  
-ATOM     37  N   SER A   2      12.671   0.460 -14.283  1.00  0.00           N  
-ATOM     38  CA  SER A   2      11.359   0.076 -13.776  1.00  0.00           C  
-ATOM     39  C   SER A   2      10.473   1.302 -13.576  1.00  0.00           C  
-ATOM     40  O   SER A   2      10.684   2.090 -12.654  1.00  0.00           O  
-ATOM     41  CB  SER A   2      11.502  -0.685 -12.456  1.00  0.00           C  
-ATOM     42  OG  SER A   2      10.237  -1.086 -11.959  1.00  0.00           O  
-ATOM     43  H   SER A   2      13.210   1.104 -13.778  1.00  0.00           H  
-ATOM     44  HA  SER A   2      10.898  -0.572 -14.506  1.00  0.00           H  
-ATOM     45  HB2 SER A   2      12.108  -1.564 -12.614  1.00  0.00           H  
-ATOM     46  HB3 SER A   2      11.977  -0.046 -11.725  1.00  0.00           H  
-ATOM     47  HG  SER A   2      10.285  -1.997 -11.659  1.00  0.00           H  
-ATOM     48  N   SER A   3       9.482   1.456 -14.447  1.00  0.00           N  
-ATOM     49  CA  SER A   3       8.565   2.588 -14.370  1.00  0.00           C  
-ATOM     50  C   SER A   3       7.236   2.169 -13.750  1.00  0.00           C  
-ATOM     51  O   SER A   3       6.331   1.709 -14.445  1.00  0.00           O  
-ATOM     52  CB  SER A   3       8.329   3.176 -15.762  1.00  0.00           C  
-ATOM     53  OG  SER A   3       9.462   3.901 -16.209  1.00  0.00           O  
-ATOM     54  H   SER A   3       9.365   0.794 -15.160  1.00  0.00           H  
-ATOM     55  HA  SER A   3       9.020   3.340 -13.743  1.00  0.00           H  
-ATOM     56  HB2 SER A   3       8.131   2.376 -16.459  1.00  0.00           H  
-ATOM     57  HB3 SER A   3       7.480   3.843 -15.729  1.00  0.00           H  
-ATOM     58  HG  SER A   3       9.195   4.786 -16.465  1.00  0.00           H  
-ATOM     59  N   GLY A   4       7.125   2.332 -12.435  1.00  0.00           N  
-ATOM     60  CA  GLY A   4       5.904   1.967 -11.742  1.00  0.00           C  
-ATOM     61  C   GLY A   4       6.171   1.223 -10.448  1.00  0.00           C  
-ATOM     62  O   GLY A   4       6.830   0.183 -10.446  1.00  0.00           O  
-ATOM     63  H   GLY A   4       7.880   2.704 -11.931  1.00  0.00           H  
-ATOM     64  HA2 GLY A   4       5.346   2.864 -11.520  1.00  0.00           H  
-ATOM     65  HA3 GLY A   4       5.311   1.337 -12.389  1.00  0.00           H  
-ATOM     66  N   VAL A   5       5.660   1.758  -9.344  1.00  0.00           N  
-ATOM     67  CA  VAL A   5       5.848   1.138  -8.037  1.00  0.00           C  
-ATOM     68  C   VAL A   5       4.631   0.310  -7.641  1.00  0.00           C  
-ATOM     69  O   VAL A   5       3.491   0.723  -7.855  1.00  0.00           O  
-ATOM     70  CB  VAL A   5       6.113   2.195  -6.948  1.00  0.00           C  
-ATOM     71  CG1 VAL A   5       7.390   2.965  -7.250  1.00  0.00           C  
-ATOM     72  CG2 VAL A   5       4.927   3.140  -6.824  1.00  0.00           C  
-ATOM     73  H   VAL A   5       5.144   2.588  -9.409  1.00  0.00           H  
-ATOM     74  HA  VAL A   5       6.709   0.489  -8.096  1.00  0.00           H  
-ATOM     75  HB  VAL A   5       6.241   1.685  -6.004  1.00  0.00           H  
-ATOM     76 HG11 VAL A   5       7.522   3.037  -8.319  1.00  0.00           H  
-ATOM     77 HG12 VAL A   5       7.321   3.956  -6.826  1.00  0.00           H  
-ATOM     78 HG13 VAL A   5       8.233   2.445  -6.818  1.00  0.00           H  
-ATOM     79 HG21 VAL A   5       5.227   4.133  -7.123  1.00  0.00           H  
-ATOM     80 HG22 VAL A   5       4.125   2.798  -7.462  1.00  0.00           H  
-ATOM     81 HG23 VAL A   5       4.588   3.159  -5.799  1.00  0.00           H  
-ATOM     82  N   GLU A   6       4.880  -0.860  -7.063  1.00  0.00           N  
-ATOM     83  CA  GLU A   6       3.803  -1.746  -6.637  1.00  0.00           C  
-ATOM     84  C   GLU A   6       3.972  -2.144  -5.174  1.00  0.00           C  
-ATOM     85  O   GLU A   6       5.075  -2.467  -4.729  1.00  0.00           O  
-ATOM     86  CB  GLU A   6       3.766  -2.998  -7.516  1.00  0.00           C  
-ATOM     87  CG  GLU A   6       3.246  -2.741  -8.920  1.00  0.00           C  
-ATOM     88  CD  GLU A   6       3.054  -4.018  -9.715  1.00  0.00           C  
-ATOM     89  OE1 GLU A   6       4.042  -4.763  -9.886  1.00  0.00           O  
-ATOM     90  OE2 GLU A   6       1.918  -4.272 -10.166  1.00  0.00           O  
-ATOM     91  H   GLU A   6       5.810  -1.134  -6.919  1.00  0.00           H  
-ATOM     92  HA  GLU A   6       2.872  -1.213  -6.747  1.00  0.00           H  
-ATOM     93  HB2 GLU A   6       4.765  -3.400  -7.592  1.00  0.00           H  
-ATOM     94  HB3 GLU A   6       3.127  -3.733  -7.048  1.00  0.00           H  
-ATOM     95  HG2 GLU A   6       2.296  -2.232  -8.851  1.00  0.00           H  
-ATOM     96  HG3 GLU A   6       3.952  -2.112  -9.442  1.00  0.00           H  
-ATOM     97  N   LEU A   7       2.873  -2.118  -4.429  1.00  0.00           N  
-ATOM     98  CA  LEU A   7       2.897  -2.475  -3.015  1.00  0.00           C  
-ATOM     99  C   LEU A   7       3.305  -3.933  -2.828  1.00  0.00           C  
-ATOM    100  O   LEU A   7       4.145  -4.250  -1.986  1.00  0.00           O  
-ATOM    101  CB  LEU A   7       1.525  -2.232  -2.383  1.00  0.00           C  
-ATOM    102  CG  LEU A   7       0.940  -0.831  -2.566  1.00  0.00           C  
-ATOM    103  CD1 LEU A   7      -0.532  -0.814  -2.187  1.00  0.00           C  
-ATOM    104  CD2 LEU A   7       1.717   0.183  -1.740  1.00  0.00           C  
-ATOM    105  H   LEU A   7       2.023  -1.852  -4.839  1.00  0.00           H  
-ATOM    106  HA  LEU A   7       3.626  -1.844  -2.527  1.00  0.00           H  
-ATOM    107  HB2 LEU A   7       0.833  -2.938  -2.815  1.00  0.00           H  
-ATOM    108  HB3 LEU A   7       1.613  -2.419  -1.322  1.00  0.00           H  
-ATOM    109  HG  LEU A   7       1.020  -0.548  -3.607  1.00  0.00           H  
-ATOM    110 HD11 LEU A   7      -0.881  -1.827  -2.053  1.00  0.00           H  
-ATOM    111 HD12 LEU A   7      -1.101  -0.339  -2.973  1.00  0.00           H  
-ATOM    112 HD13 LEU A   7      -0.661  -0.263  -1.267  1.00  0.00           H  
-ATOM    113 HD21 LEU A   7       1.163   1.109  -1.693  1.00  0.00           H  
-ATOM    114 HD22 LEU A   7       2.678   0.362  -2.200  1.00  0.00           H  
-ATOM    115 HD23 LEU A   7       1.862  -0.201  -0.741  1.00  0.00           H  
-ATOM    116  N   HIS A   8       2.706  -4.815  -3.622  1.00  0.00           N  
-ATOM    117  CA  HIS A   8       3.010  -6.240  -3.546  1.00  0.00           C  
-ATOM    118  C   HIS A   8       4.500  -6.467  -3.313  1.00  0.00           C  
-ATOM    119  O   HIS A   8       4.893  -7.208  -2.412  1.00  0.00           O  
-ATOM    120  CB  HIS A   8       2.569  -6.946  -4.829  1.00  0.00           C  
-ATOM    121  CG  HIS A   8       1.237  -6.487  -5.338  1.00  0.00           C  
-ATOM    122  ND1 HIS A   8       1.072  -5.342  -6.089  1.00  0.00           N  
-ATOM    123  CD2 HIS A   8       0.003  -7.026  -5.201  1.00  0.00           C  
-ATOM    124  CE1 HIS A   8      -0.206  -5.197  -6.391  1.00  0.00           C  
-ATOM    125  NE2 HIS A   8      -0.876  -6.206  -5.864  1.00  0.00           N  
-ATOM    126  H   HIS A   8       2.046  -4.501  -4.273  1.00  0.00           H  
-ATOM    127  HA  HIS A   8       2.461  -6.652  -2.712  1.00  0.00           H  
-ATOM    128  HB2 HIS A   8       3.300  -6.762  -5.602  1.00  0.00           H  
-ATOM    129  HB3 HIS A   8       2.506  -8.008  -4.644  1.00  0.00           H  
-ATOM    130  HD2 HIS A   8      -0.245  -7.934  -4.668  1.00  0.00           H  
-ATOM    131  HE1 HIS A   8      -0.631  -4.391  -6.970  1.00  0.00           H  
-ATOM    132  HE2 HIS A   8      -1.851  -6.297  -5.864  1.00  0.00           H  
-ATOM    133  N   LYS A   9       5.326  -5.824  -4.131  1.00  0.00           N  
-ATOM    134  CA  LYS A   9       6.774  -5.954  -4.015  1.00  0.00           C  
-ATOM    135  C   LYS A   9       7.230  -5.698  -2.582  1.00  0.00           C  
-ATOM    136  O   LYS A   9       8.073  -6.422  -2.049  1.00  0.00           O  
-ATOM    137  CB  LYS A   9       7.472  -4.979  -4.965  1.00  0.00           C  
-ATOM    138  CG  LYS A   9       7.351  -5.364  -6.429  1.00  0.00           C  
-ATOM    139  CD  LYS A   9       8.372  -4.633  -7.285  1.00  0.00           C  
-ATOM    140  CE  LYS A   9       8.023  -3.160  -7.433  1.00  0.00           C  
-ATOM    141  NZ  LYS A   9       9.004  -2.441  -8.292  1.00  0.00           N  
-ATOM    142  H   LYS A   9       4.953  -5.246  -4.830  1.00  0.00           H  
-ATOM    143  HA  LYS A   9       7.040  -6.964  -4.290  1.00  0.00           H  
-ATOM    144  HB2 LYS A   9       7.041  -3.997  -4.835  1.00  0.00           H  
-ATOM    145  HB3 LYS A   9       8.522  -4.937  -4.711  1.00  0.00           H  
-ATOM    146  HG2 LYS A   9       7.511  -6.427  -6.527  1.00  0.00           H  
-ATOM    147  HG3 LYS A   9       6.358  -5.114  -6.776  1.00  0.00           H  
-ATOM    148  HD2 LYS A   9       9.343  -4.716  -6.820  1.00  0.00           H  
-ATOM    149  HD3 LYS A   9       8.399  -5.088  -8.265  1.00  0.00           H  
-ATOM    150  HE2 LYS A   9       7.042  -3.079  -7.875  1.00  0.00           H  
-ATOM    151  HE3 LYS A   9       8.015  -2.705  -6.453  1.00  0.00           H  
-ATOM    152  HZ1 LYS A   9       8.685  -1.465  -8.458  1.00  0.00           H  
-ATOM    153  HZ2 LYS A   9       9.097  -2.923  -9.209  1.00  0.00           H  
-ATOM    154  HZ3 LYS A   9       9.935  -2.417  -7.829  1.00  0.00           H  
-ATOM    155  N   LEU A  10       6.668  -4.667  -1.962  1.00  0.00           N  
-ATOM    156  CA  LEU A  10       7.015  -4.317  -0.589  1.00  0.00           C  
-ATOM    157  C   LEU A  10       6.762  -5.490   0.353  1.00  0.00           C  
-ATOM    158  O   LEU A  10       5.792  -6.230   0.193  1.00  0.00           O  
-ATOM    159  CB  LEU A  10       6.210  -3.099  -0.133  1.00  0.00           C  
-ATOM    160  CG  LEU A  10       6.497  -1.790  -0.870  1.00  0.00           C  
-ATOM    161  CD1 LEU A  10       5.458  -0.738  -0.514  1.00  0.00           C  
-ATOM    162  CD2 LEU A  10       7.897  -1.291  -0.544  1.00  0.00           C  
-ATOM    163  H   LEU A  10       6.003  -4.127  -2.438  1.00  0.00           H  
-ATOM    164  HA  LEU A  10       8.067  -4.072  -0.566  1.00  0.00           H  
-ATOM    165  HB2 LEU A  10       5.163  -3.328  -0.261  1.00  0.00           H  
-ATOM    166  HB3 LEU A  10       6.416  -2.941   0.916  1.00  0.00           H  
-ATOM    167  HG  LEU A  10       6.443  -1.965  -1.935  1.00  0.00           H  
-ATOM    168 HD11 LEU A  10       4.995  -0.370  -1.417  1.00  0.00           H  
-ATOM    169 HD12 LEU A  10       5.936   0.080   0.004  1.00  0.00           H  
-ATOM    170 HD13 LEU A  10       4.705  -1.177   0.125  1.00  0.00           H  
-ATOM    171 HD21 LEU A  10       8.309  -0.787  -1.406  1.00  0.00           H  
-ATOM    172 HD22 LEU A  10       8.527  -2.129  -0.283  1.00  0.00           H  
-ATOM    173 HD23 LEU A  10       7.850  -0.603   0.287  1.00  0.00           H  
-ATOM    174  N   LYS A  11       7.641  -5.652   1.336  1.00  0.00           N  
-ATOM    175  CA  LYS A  11       7.512  -6.732   2.307  1.00  0.00           C  
-ATOM    176  C   LYS A  11       6.523  -6.360   3.407  1.00  0.00           C  
-ATOM    177  O   LYS A  11       5.992  -5.249   3.429  1.00  0.00           O  
-ATOM    178  CB  LYS A  11       8.875  -7.058   2.922  1.00  0.00           C  
-ATOM    179  CG  LYS A  11       9.920  -7.472   1.900  1.00  0.00           C  
-ATOM    180  CD  LYS A  11      11.131  -8.104   2.565  1.00  0.00           C  
-ATOM    181  CE  LYS A  11      12.270  -8.302   1.577  1.00  0.00           C  
-ATOM    182  NZ  LYS A  11      11.915  -9.277   0.509  1.00  0.00           N  
-ATOM    183  H   LYS A  11       8.394  -5.029   1.412  1.00  0.00           H  
-ATOM    184  HA  LYS A  11       7.144  -7.603   1.787  1.00  0.00           H  
-ATOM    185  HB2 LYS A  11       9.239  -6.186   3.444  1.00  0.00           H  
-ATOM    186  HB3 LYS A  11       8.754  -7.866   3.629  1.00  0.00           H  
-ATOM    187  HG2 LYS A  11       9.482  -8.188   1.221  1.00  0.00           H  
-ATOM    188  HG3 LYS A  11      10.238  -6.598   1.349  1.00  0.00           H  
-ATOM    189  HD2 LYS A  11      11.470  -7.460   3.363  1.00  0.00           H  
-ATOM    190  HD3 LYS A  11      10.848  -9.065   2.972  1.00  0.00           H  
-ATOM    191  HE2 LYS A  11      12.504  -7.352   1.122  1.00  0.00           H  
-ATOM    192  HE3 LYS A  11      13.134  -8.667   2.113  1.00  0.00           H  
-ATOM    193  HZ1 LYS A  11      10.965  -9.665   0.681  1.00  0.00           H  
-ATOM    194  HZ2 LYS A  11      12.599 -10.059   0.497  1.00  0.00           H  
-ATOM    195  HZ3 LYS A  11      11.923  -8.809  -0.420  1.00  0.00           H  
-ATOM    196  N   LEU A  12       6.280  -7.295   4.319  1.00  0.00           N  
-ATOM    197  CA  LEU A  12       5.355  -7.065   5.423  1.00  0.00           C  
-ATOM    198  C   LEU A  12       5.768  -5.841   6.234  1.00  0.00           C  
-ATOM    199  O   LEU A  12       4.936  -5.005   6.582  1.00  0.00           O  
-ATOM    200  CB  LEU A  12       5.296  -8.296   6.330  1.00  0.00           C  
-ATOM    201  CG  LEU A  12       4.205  -8.289   7.401  1.00  0.00           C  
-ATOM    202  CD1 LEU A  12       2.828  -8.376   6.762  1.00  0.00           C  
-ATOM    203  CD2 LEU A  12       4.413  -9.433   8.382  1.00  0.00           C  
-ATOM    204  H   LEU A  12       6.733  -8.161   4.249  1.00  0.00           H  
-ATOM    205  HA  LEU A  12       4.375  -6.890   5.003  1.00  0.00           H  
-ATOM    206  HB2 LEU A  12       5.139  -9.161   5.704  1.00  0.00           H  
-ATOM    207  HB3 LEU A  12       6.251  -8.384   6.829  1.00  0.00           H  
-ATOM    208  HG  LEU A  12       4.258  -7.360   7.954  1.00  0.00           H  
-ATOM    209 HD11 LEU A  12       2.934  -8.511   5.696  1.00  0.00           H  
-ATOM    210 HD12 LEU A  12       2.283  -7.464   6.957  1.00  0.00           H  
-ATOM    211 HD13 LEU A  12       2.290  -9.213   7.180  1.00  0.00           H  
-ATOM    212 HD21 LEU A  12       5.468  -9.651   8.461  1.00  0.00           H  
-ATOM    213 HD22 LEU A  12       3.891 -10.310   8.028  1.00  0.00           H  
-ATOM    214 HD23 LEU A  12       4.030  -9.152   9.351  1.00  0.00           H  
-ATOM    215  N   ALA A  13       7.060  -5.742   6.529  1.00  0.00           N  
-ATOM    216  CA  ALA A  13       7.585  -4.619   7.294  1.00  0.00           C  
-ATOM    217  C   ALA A  13       7.390  -3.305   6.545  1.00  0.00           C  
-ATOM    218  O   ALA A  13       7.076  -2.278   7.147  1.00  0.00           O  
-ATOM    219  CB  ALA A  13       9.058  -4.835   7.608  1.00  0.00           C  
-ATOM    220  H   ALA A  13       7.675  -6.441   6.223  1.00  0.00           H  
-ATOM    221  HA  ALA A  13       7.046  -4.571   8.230  1.00  0.00           H  
-ATOM    222  HB1 ALA A  13       9.210  -5.855   7.931  1.00  0.00           H  
-ATOM    223  HB2 ALA A  13       9.646  -4.646   6.722  1.00  0.00           H  
-ATOM    224  HB3 ALA A  13       9.362  -4.160   8.394  1.00  0.00           H  
-ATOM    225  N   GLU A  14       7.578  -3.345   5.230  1.00  0.00           N  
-ATOM    226  CA  GLU A  14       7.423  -2.156   4.400  1.00  0.00           C  
-ATOM    227  C   GLU A  14       5.970  -1.691   4.381  1.00  0.00           C  
-ATOM    228  O   GLU A  14       5.687  -0.498   4.496  1.00  0.00           O  
-ATOM    229  CB  GLU A  14       7.899  -2.438   2.973  1.00  0.00           C  
-ATOM    230  CG  GLU A  14       9.400  -2.642   2.860  1.00  0.00           C  
-ATOM    231  CD  GLU A  14      10.171  -1.337   2.901  1.00  0.00           C  
-ATOM    232  OE1 GLU A  14      10.156  -0.671   3.957  1.00  0.00           O  
-ATOM    233  OE2 GLU A  14      10.789  -0.982   1.875  1.00  0.00           O  
-ATOM    234  H   GLU A  14       7.827  -4.194   4.808  1.00  0.00           H  
-ATOM    235  HA  GLU A  14       8.034  -1.374   4.824  1.00  0.00           H  
-ATOM    236  HB2 GLU A  14       7.406  -3.329   2.612  1.00  0.00           H  
-ATOM    237  HB3 GLU A  14       7.622  -1.605   2.344  1.00  0.00           H  
-ATOM    238  HG2 GLU A  14       9.729  -3.262   3.681  1.00  0.00           H  
-ATOM    239  HG3 GLU A  14       9.614  -3.141   1.926  1.00  0.00           H  
-ATOM    240  N   LEU A  15       5.053  -2.641   4.235  1.00  0.00           N  
-ATOM    241  CA  LEU A  15       3.628  -2.330   4.200  1.00  0.00           C  
-ATOM    242  C   LEU A  15       3.176  -1.703   5.515  1.00  0.00           C  
-ATOM    243  O   LEU A  15       2.442  -0.714   5.525  1.00  0.00           O  
-ATOM    244  CB  LEU A  15       2.816  -3.595   3.919  1.00  0.00           C  
-ATOM    245  CG  LEU A  15       3.102  -4.294   2.589  1.00  0.00           C  
-ATOM    246  CD1 LEU A  15       2.491  -5.686   2.576  1.00  0.00           C  
-ATOM    247  CD2 LEU A  15       2.573  -3.466   1.427  1.00  0.00           C  
-ATOM    248  H   LEU A  15       5.340  -3.573   4.148  1.00  0.00           H  
-ATOM    249  HA  LEU A  15       3.463  -1.621   3.402  1.00  0.00           H  
-ATOM    250  HB2 LEU A  15       3.017  -4.299   4.712  1.00  0.00           H  
-ATOM    251  HB3 LEU A  15       1.770  -3.326   3.934  1.00  0.00           H  
-ATOM    252  HG  LEU A  15       4.171  -4.398   2.467  1.00  0.00           H  
-ATOM    253 HD11 LEU A  15       2.715  -6.169   1.637  1.00  0.00           H  
-ATOM    254 HD12 LEU A  15       1.420  -5.611   2.695  1.00  0.00           H  
-ATOM    255 HD13 LEU A  15       2.903  -6.268   3.388  1.00  0.00           H  
-ATOM    256 HD21 LEU A  15       1.619  -3.861   1.109  1.00  0.00           H  
-ATOM    257 HD22 LEU A  15       3.273  -3.510   0.605  1.00  0.00           H  
-ATOM    258 HD23 LEU A  15       2.451  -2.440   1.742  1.00  0.00           H  
-ATOM    259  N   LYS A  16       3.619  -2.284   6.625  1.00  0.00           N  
-ATOM    260  CA  LYS A  16       3.264  -1.782   7.947  1.00  0.00           C  
-ATOM    261  C   LYS A  16       3.792  -0.365   8.151  1.00  0.00           C  
-ATOM    262  O   LYS A  16       3.119   0.478   8.743  1.00  0.00           O  
-ATOM    263  CB  LYS A  16       3.820  -2.706   9.032  1.00  0.00           C  
-ATOM    264  CG  LYS A  16       2.971  -3.943   9.271  1.00  0.00           C  
-ATOM    265  CD  LYS A  16       3.271  -4.573  10.621  1.00  0.00           C  
-ATOM    266  CE  LYS A  16       2.060  -5.309  11.174  1.00  0.00           C  
-ATOM    267  NZ  LYS A  16       2.308  -5.833  12.546  1.00  0.00           N  
-ATOM    268  H   LYS A  16       4.202  -3.070   6.553  1.00  0.00           H  
-ATOM    269  HA  LYS A  16       2.187  -1.765   8.017  1.00  0.00           H  
-ATOM    270  HB2 LYS A  16       4.811  -3.025   8.744  1.00  0.00           H  
-ATOM    271  HB3 LYS A  16       3.883  -2.155   9.960  1.00  0.00           H  
-ATOM    272  HG2 LYS A  16       1.928  -3.665   9.239  1.00  0.00           H  
-ATOM    273  HG3 LYS A  16       3.177  -4.665   8.494  1.00  0.00           H  
-ATOM    274  HD2 LYS A  16       4.084  -5.274  10.509  1.00  0.00           H  
-ATOM    275  HD3 LYS A  16       3.557  -3.795  11.316  1.00  0.00           H  
-ATOM    276  HE2 LYS A  16       1.223  -4.627  11.204  1.00  0.00           H  
-ATOM    277  HE3 LYS A  16       1.827  -6.135  10.518  1.00  0.00           H  
-ATOM    278  HZ1 LYS A  16       2.944  -5.193  13.062  1.00  0.00           H  
-ATOM    279  HZ2 LYS A  16       2.747  -6.774  12.495  1.00  0.00           H  
-ATOM    280  HZ3 LYS A  16       1.411  -5.908  13.067  1.00  0.00           H  
-ATOM    281  N   GLN A  17       4.999  -0.111   7.655  1.00  0.00           N  
-ATOM    282  CA  GLN A  17       5.615   1.204   7.783  1.00  0.00           C  
-ATOM    283  C   GLN A  17       4.785   2.266   7.071  1.00  0.00           C  
-ATOM    284  O   GLN A  17       4.585   3.363   7.591  1.00  0.00           O  
-ATOM    285  CB  GLN A  17       7.035   1.182   7.214  1.00  0.00           C  
-ATOM    286  CG  GLN A  17       7.853   2.412   7.573  1.00  0.00           C  
-ATOM    287  CD  GLN A  17       8.172   2.490   9.053  1.00  0.00           C  
-ATOM    288  OE1 GLN A  17       7.364   2.971   9.849  1.00  0.00           O  
-ATOM    289  NE2 GLN A  17       9.354   2.017   9.430  1.00  0.00           N  
-ATOM    290  H   GLN A  17       5.486  -0.825   7.194  1.00  0.00           H  
-ATOM    291  HA  GLN A  17       5.662   1.447   8.834  1.00  0.00           H  
-ATOM    292  HB2 GLN A  17       7.549   0.311   7.593  1.00  0.00           H  
-ATOM    293  HB3 GLN A  17       6.978   1.116   6.138  1.00  0.00           H  
-ATOM    294  HG2 GLN A  17       8.781   2.385   7.022  1.00  0.00           H  
-ATOM    295  HG3 GLN A  17       7.295   3.294   7.292  1.00  0.00           H  
-ATOM    296 HE21 GLN A  17       9.946   1.651   8.740  1.00  0.00           H  
-ATOM    297 HE22 GLN A  17       9.586   2.056  10.380  1.00  0.00           H  
-ATOM    298  N   GLU A  18       4.305   1.932   5.876  1.00  0.00           N  
-ATOM    299  CA  GLU A  18       3.498   2.859   5.092  1.00  0.00           C  
-ATOM    300  C   GLU A  18       2.190   3.183   5.810  1.00  0.00           C  
-ATOM    301  O   GLU A  18       1.765   4.338   5.857  1.00  0.00           O  
-ATOM    302  CB  GLU A  18       3.202   2.271   3.711  1.00  0.00           C  
-ATOM    303  CG  GLU A  18       4.390   2.314   2.764  1.00  0.00           C  
-ATOM    304  CD  GLU A  18       4.505   3.638   2.034  1.00  0.00           C  
-ATOM    305  OE1 GLU A  18       5.170   4.553   2.563  1.00  0.00           O  
-ATOM    306  OE2 GLU A  18       3.930   3.759   0.932  1.00  0.00           O  
-ATOM    307  H   GLU A  18       4.499   1.043   5.514  1.00  0.00           H  
-ATOM    308  HA  GLU A  18       4.063   3.771   4.971  1.00  0.00           H  
-ATOM    309  HB2 GLU A  18       2.899   1.241   3.829  1.00  0.00           H  
-ATOM    310  HB3 GLU A  18       2.391   2.825   3.263  1.00  0.00           H  
-ATOM    311  HG2 GLU A  18       5.294   2.155   3.333  1.00  0.00           H  
-ATOM    312  HG3 GLU A  18       4.281   1.525   2.034  1.00  0.00           H  
-ATOM    313  N   CYS A  19       1.558   2.156   6.366  1.00  0.00           N  
-ATOM    314  CA  CYS A  19       0.298   2.330   7.080  1.00  0.00           C  
-ATOM    315  C   CYS A  19       0.489   3.205   8.314  1.00  0.00           C  
-ATOM    316  O   CYS A  19      -0.386   3.997   8.669  1.00  0.00           O  
-ATOM    317  CB  CYS A  19      -0.273   0.971   7.487  1.00  0.00           C  
-ATOM    318  SG  CYS A  19      -0.709  -0.095   6.093  1.00  0.00           S  
-ATOM    319  H   CYS A  19       1.947   1.259   6.295  1.00  0.00           H  
-ATOM    320  HA  CYS A  19      -0.396   2.817   6.412  1.00  0.00           H  
-ATOM    321  HB2 CYS A  19       0.458   0.446   8.084  1.00  0.00           H  
-ATOM    322  HB3 CYS A  19      -1.165   1.125   8.076  1.00  0.00           H  
-ATOM    323  HG  CYS A  19      -2.030  -0.162   6.028  1.00  0.00           H  
-ATOM    324  N   LEU A  20       1.637   3.057   8.966  1.00  0.00           N  
-ATOM    325  CA  LEU A  20       1.942   3.833  10.163  1.00  0.00           C  
-ATOM    326  C   LEU A  20       2.062   5.318   9.833  1.00  0.00           C  
-ATOM    327  O   LEU A  20       1.505   6.166  10.530  1.00  0.00           O  
-ATOM    328  CB  LEU A  20       3.240   3.334  10.801  1.00  0.00           C  
-ATOM    329  CG  LEU A  20       3.347   3.494  12.318  1.00  0.00           C  
-ATOM    330  CD1 LEU A  20       4.462   2.619  12.869  1.00  0.00           C  
-ATOM    331  CD2 LEU A  20       3.580   4.953  12.685  1.00  0.00           C  
-ATOM    332  H   LEU A  20       2.295   2.411   8.636  1.00  0.00           H  
-ATOM    333  HA  LEU A  20       1.131   3.697  10.863  1.00  0.00           H  
-ATOM    334  HB2 LEU A  20       3.339   2.285  10.571  1.00  0.00           H  
-ATOM    335  HB3 LEU A  20       4.059   3.878  10.351  1.00  0.00           H  
-ATOM    336  HG  LEU A  20       2.419   3.178  12.773  1.00  0.00           H  
-ATOM    337 HD11 LEU A  20       4.445   1.660  12.374  1.00  0.00           H  
-ATOM    338 HD12 LEU A  20       4.318   2.479  13.930  1.00  0.00           H  
-ATOM    339 HD13 LEU A  20       5.415   3.098  12.696  1.00  0.00           H  
-ATOM    340 HD21 LEU A  20       3.184   5.143  13.671  1.00  0.00           H  
-ATOM    341 HD22 LEU A  20       3.082   5.589  11.968  1.00  0.00           H  
-ATOM    342 HD23 LEU A  20       4.640   5.161  12.676  1.00  0.00           H  
-ATOM    343  N   ALA A  21       2.792   5.624   8.765  1.00  0.00           N  
-ATOM    344  CA  ALA A  21       2.981   7.006   8.340  1.00  0.00           C  
-ATOM    345  C   ALA A  21       1.663   7.627   7.890  1.00  0.00           C  
-ATOM    346  O   ALA A  21       1.409   8.808   8.129  1.00  0.00           O  
-ATOM    347  CB  ALA A  21       4.011   7.078   7.222  1.00  0.00           C  
-ATOM    348  H   ALA A  21       3.211   4.904   8.250  1.00  0.00           H  
-ATOM    349  HA  ALA A  21       3.361   7.565   9.183  1.00  0.00           H  
-ATOM    350  HB1 ALA A  21       4.882   6.502   7.499  1.00  0.00           H  
-ATOM    351  HB2 ALA A  21       3.585   6.674   6.315  1.00  0.00           H  
-ATOM    352  HB3 ALA A  21       4.295   8.107   7.061  1.00  0.00           H  
-ATOM    353  N   ARG A  22       0.830   6.825   7.235  1.00  0.00           N  
-ATOM    354  CA  ARG A  22      -0.461   7.298   6.749  1.00  0.00           C  
-ATOM    355  C   ARG A  22      -1.450   7.459   7.900  1.00  0.00           C  
-ATOM    356  O   ARG A  22      -2.290   8.357   7.890  1.00  0.00           O  
-ATOM    357  CB  ARG A  22      -1.025   6.327   5.710  1.00  0.00           C  
-ATOM    358  CG  ARG A  22      -0.240   6.303   4.409  1.00  0.00           C  
-ATOM    359  CD  ARG A  22      -1.028   5.631   3.295  1.00  0.00           C  
-ATOM    360  NE  ARG A  22      -0.199   5.366   2.122  1.00  0.00           N  
-ATOM    361  CZ  ARG A  22       0.185   6.305   1.266  1.00  0.00           C  
-ATOM    362  NH1 ARG A  22      -0.183   7.566   1.450  1.00  0.00           N  
-ATOM    363  NH2 ARG A  22       0.939   5.985   0.222  1.00  0.00           N  
-ATOM    364  H   ARG A  22       1.089   5.894   7.075  1.00  0.00           H  
-ATOM    365  HA  ARG A  22      -0.309   8.260   6.284  1.00  0.00           H  
-ATOM    366  HB2 ARG A  22      -1.021   5.330   6.126  1.00  0.00           H  
-ATOM    367  HB3 ARG A  22      -2.043   6.610   5.486  1.00  0.00           H  
-ATOM    368  HG2 ARG A  22      -0.016   7.318   4.116  1.00  0.00           H  
-ATOM    369  HG3 ARG A  22       0.680   5.760   4.566  1.00  0.00           H  
-ATOM    370  HD2 ARG A  22      -1.422   4.697   3.665  1.00  0.00           H  
-ATOM    371  HD3 ARG A  22      -1.843   6.278   3.010  1.00  0.00           H  
-ATOM    372  HE  ARG A  22       0.084   4.441   1.967  1.00  0.00           H  
-ATOM    373 HH11 ARG A  22      -0.751   7.810   2.236  1.00  0.00           H  
-ATOM    374 HH12 ARG A  22       0.108   8.271   0.804  1.00  0.00           H  
-ATOM    375 HH21 ARG A  22       1.218   5.036   0.079  1.00  0.00           H  
-ATOM    376 HH22 ARG A  22       1.227   6.693  -0.423  1.00  0.00           H  
-ATOM    377  N   GLY A  23      -1.343   6.580   8.893  1.00  0.00           N  
-ATOM    378  CA  GLY A  23      -2.234   6.642  10.037  1.00  0.00           C  
-ATOM    379  C   GLY A  23      -3.377   5.652   9.936  1.00  0.00           C  
-ATOM    380  O   GLY A  23      -4.500   5.945  10.347  1.00  0.00           O  
-ATOM    381  H   GLY A  23      -0.654   5.885   8.848  1.00  0.00           H  
-ATOM    382  HA2 GLY A  23      -1.667   6.432  10.932  1.00  0.00           H  
-ATOM    383  HA3 GLY A  23      -2.642   7.639  10.107  1.00  0.00           H  
-ATOM    384  N   LEU A  24      -3.092   4.476   9.386  1.00  0.00           N  
-ATOM    385  CA  LEU A  24      -4.106   3.439   9.229  1.00  0.00           C  
-ATOM    386  C   LEU A  24      -3.862   2.288  10.200  1.00  0.00           C  
-ATOM    387  O   LEU A  24      -2.877   2.285  10.937  1.00  0.00           O  
-ATOM    388  CB  LEU A  24      -4.112   2.916   7.792  1.00  0.00           C  
-ATOM    389  CG  LEU A  24      -4.286   3.968   6.696  1.00  0.00           C  
-ATOM    390  CD1 LEU A  24      -3.851   3.412   5.349  1.00  0.00           C  
-ATOM    391  CD2 LEU A  24      -5.731   4.442   6.637  1.00  0.00           C  
-ATOM    392  H   LEU A  24      -2.179   4.301   9.077  1.00  0.00           H  
-ATOM    393  HA  LEU A  24      -5.068   3.880   9.447  1.00  0.00           H  
-ATOM    394  HB2 LEU A  24      -3.174   2.412   7.620  1.00  0.00           H  
-ATOM    395  HB3 LEU A  24      -4.922   2.206   7.702  1.00  0.00           H  
-ATOM    396  HG  LEU A  24      -3.662   4.821   6.922  1.00  0.00           H  
-ATOM    397 HD11 LEU A  24      -4.722   3.185   4.754  1.00  0.00           H  
-ATOM    398 HD12 LEU A  24      -3.274   2.512   5.500  1.00  0.00           H  
-ATOM    399 HD13 LEU A  24      -3.245   4.145   4.836  1.00  0.00           H  
-ATOM    400 HD21 LEU A  24      -5.762   5.453   6.256  1.00  0.00           H  
-ATOM    401 HD22 LEU A  24      -6.158   4.418   7.629  1.00  0.00           H  
-ATOM    402 HD23 LEU A  24      -6.296   3.794   5.984  1.00  0.00           H  
-ATOM    403  N   GLU A  25      -4.766   1.313  10.193  1.00  0.00           N  
-ATOM    404  CA  GLU A  25      -4.647   0.156  11.073  1.00  0.00           C  
-ATOM    405  C   GLU A  25      -3.641  -0.848  10.518  1.00  0.00           C  
-ATOM    406  O   GLU A  25      -3.868  -1.459   9.473  1.00  0.00           O  
-ATOM    407  CB  GLU A  25      -6.009  -0.516  11.255  1.00  0.00           C  
-ATOM    408  CG  GLU A  25      -6.138  -1.289  12.557  1.00  0.00           C  
-ATOM    409  CD  GLU A  25      -6.357  -0.384  13.753  1.00  0.00           C  
-ATOM    410  OE1 GLU A  25      -7.150   0.573  13.635  1.00  0.00           O  
-ATOM    411  OE2 GLU A  25      -5.735  -0.633  14.808  1.00  0.00           O  
-ATOM    412  H   GLU A  25      -5.530   1.373   9.583  1.00  0.00           H  
-ATOM    413  HA  GLU A  25      -4.297   0.504  12.033  1.00  0.00           H  
-ATOM    414  HB2 GLU A  25      -6.778   0.242  11.233  1.00  0.00           H  
-ATOM    415  HB3 GLU A  25      -6.170  -1.202  10.436  1.00  0.00           H  
-ATOM    416  HG2 GLU A  25      -6.976  -1.965  12.478  1.00  0.00           H  
-ATOM    417  HG3 GLU A  25      -5.232  -1.857  12.714  1.00  0.00           H  
-ATOM    418  N   THR A  26      -2.528  -1.015  11.225  1.00  0.00           N  
-ATOM    419  CA  THR A  26      -1.486  -1.943  10.803  1.00  0.00           C  
-ATOM    420  C   THR A  26      -1.778  -3.356  11.294  1.00  0.00           C  
-ATOM    421  O   THR A  26      -0.873  -4.080  11.711  1.00  0.00           O  
-ATOM    422  CB  THR A  26      -0.103  -1.508  11.321  1.00  0.00           C  
-ATOM    423  OG1 THR A  26      -0.090  -1.519  12.753  1.00  0.00           O  
-ATOM    424  CG2 THR A  26       0.251  -0.117  10.817  1.00  0.00           C  
-ATOM    425  H   THR A  26      -2.405  -0.499  12.049  1.00  0.00           H  
-ATOM    426  HA  THR A  26      -1.459  -1.945   9.723  1.00  0.00           H  
-ATOM    427  HB  THR A  26       0.637  -2.206  10.957  1.00  0.00           H  
-ATOM    428  HG1 THR A  26      -0.875  -1.076  13.084  1.00  0.00           H  
-ATOM    429 HG21 THR A  26       1.103  -0.179  10.156  1.00  0.00           H  
-ATOM    430 HG22 THR A  26       0.491   0.520  11.655  1.00  0.00           H  
-ATOM    431 HG23 THR A  26      -0.590   0.296  10.280  1.00  0.00           H  
-ATOM    432  N   LYS A  27      -3.048  -3.746  11.241  1.00  0.00           N  
-ATOM    433  CA  LYS A  27      -3.460  -5.074  11.677  1.00  0.00           C  
-ATOM    434  C   LYS A  27      -3.765  -5.970  10.481  1.00  0.00           C  
-ATOM    435  O   LYS A  27      -3.888  -5.495   9.353  1.00  0.00           O  
-ATOM    436  CB  LYS A  27      -4.690  -4.977  12.583  1.00  0.00           C  
-ATOM    437  CG  LYS A  27      -5.975  -4.670  11.832  1.00  0.00           C  
-ATOM    438  CD  LYS A  27      -7.193  -5.194  12.574  1.00  0.00           C  
-ATOM    439  CE  LYS A  27      -7.340  -4.539  13.938  1.00  0.00           C  
-ATOM    440  NZ  LYS A  27      -8.686  -4.781  14.528  1.00  0.00           N  
-ATOM    441  H   LYS A  27      -3.724  -3.124  10.898  1.00  0.00           H  
-ATOM    442  HA  LYS A  27      -2.645  -5.507  12.237  1.00  0.00           H  
-ATOM    443  HB2 LYS A  27      -4.816  -5.916  13.100  1.00  0.00           H  
-ATOM    444  HB3 LYS A  27      -4.526  -4.194  13.309  1.00  0.00           H  
-ATOM    445  HG2 LYS A  27      -6.068  -3.600  11.720  1.00  0.00           H  
-ATOM    446  HG3 LYS A  27      -5.931  -5.133  10.857  1.00  0.00           H  
-ATOM    447  HD2 LYS A  27      -8.077  -4.986  11.990  1.00  0.00           H  
-ATOM    448  HD3 LYS A  27      -7.090  -6.262  12.706  1.00  0.00           H  
-ATOM    449  HE2 LYS A  27      -6.589  -4.942  14.600  1.00  0.00           H  
-ATOM    450  HE3 LYS A  27      -7.190  -3.475  13.830  1.00  0.00           H  
-ATOM    451  HZ1 LYS A  27      -8.971  -5.769  14.371  1.00  0.00           H  
-ATOM    452  HZ2 LYS A  27      -9.388  -4.155  14.085  1.00  0.00           H  
-ATOM    453  HZ3 LYS A  27      -8.667  -4.594  15.551  1.00  0.00           H  
-ATOM    454  N   GLY A  28      -3.889  -7.269  10.736  1.00  0.00           N  
-ATOM    455  CA  GLY A  28      -4.180  -8.210   9.670  1.00  0.00           C  
-ATOM    456  C   GLY A  28      -2.926  -8.806   9.063  1.00  0.00           C  
-ATOM    457  O   GLY A  28      -1.856  -8.769   9.673  1.00  0.00           O  
-ATOM    458  H   GLY A  28      -3.781  -7.591  11.656  1.00  0.00           H  
-ATOM    459  HA2 GLY A  28      -4.790  -9.008  10.066  1.00  0.00           H  
-ATOM    460  HA3 GLY A  28      -4.733  -7.699   8.896  1.00  0.00           H  
-ATOM    461  N   ILE A  29      -3.056  -9.357   7.862  1.00  0.00           N  
-ATOM    462  CA  ILE A  29      -1.923  -9.963   7.173  1.00  0.00           C  
-ATOM    463  C   ILE A  29      -1.433  -9.076   6.034  1.00  0.00           C  
-ATOM    464  O   ILE A  29      -1.932  -7.968   5.836  1.00  0.00           O  
-ATOM    465  CB  ILE A  29      -2.284 -11.351   6.610  1.00  0.00           C  
-ATOM    466  CG1 ILE A  29      -3.381 -11.226   5.550  1.00  0.00           C  
-ATOM    467  CG2 ILE A  29      -2.727 -12.279   7.731  1.00  0.00           C  
-ATOM    468  CD1 ILE A  29      -3.533 -12.460   4.690  1.00  0.00           C  
-ATOM    469  H   ILE A  29      -3.934  -9.355   7.427  1.00  0.00           H  
-ATOM    470  HA  ILE A  29      -1.124 -10.085   7.890  1.00  0.00           H  
-ATOM    471  HB  ILE A  29      -1.400 -11.771   6.155  1.00  0.00           H  
-ATOM    472 HG12 ILE A  29      -4.325 -11.044   6.038  1.00  0.00           H  
-ATOM    473 HG13 ILE A  29      -3.150 -10.394   4.901  1.00  0.00           H  
-ATOM    474 HG21 ILE A  29      -3.276 -13.110   7.315  1.00  0.00           H  
-ATOM    475 HG22 ILE A  29      -1.858 -12.649   8.256  1.00  0.00           H  
-ATOM    476 HG23 ILE A  29      -3.359 -11.738   8.418  1.00  0.00           H  
-ATOM    477 HD11 ILE A  29      -4.426 -12.373   4.089  1.00  0.00           H  
-ATOM    478 HD12 ILE A  29      -2.673 -12.559   4.045  1.00  0.00           H  
-ATOM    479 HD13 ILE A  29      -3.610 -13.333   5.323  1.00  0.00           H  
-ATOM    480  N   LYS A  30      -0.454  -9.572   5.285  1.00  0.00           N  
-ATOM    481  CA  LYS A  30       0.103  -8.827   4.162  1.00  0.00           C  
-ATOM    482  C   LYS A  30      -1.004  -8.316   3.245  1.00  0.00           C  
-ATOM    483  O   LYS A  30      -1.018  -7.145   2.868  1.00  0.00           O  
-ATOM    484  CB  LYS A  30       1.071  -9.708   3.369  1.00  0.00           C  
-ATOM    485  CG  LYS A  30       1.625  -9.035   2.125  1.00  0.00           C  
-ATOM    486  CD  LYS A  30       2.825  -9.786   1.572  1.00  0.00           C  
-ATOM    487  CE  LYS A  30       3.251  -9.238   0.219  1.00  0.00           C  
-ATOM    488  NZ  LYS A  30       4.092 -10.210  -0.534  1.00  0.00           N  
-ATOM    489  H   LYS A  30      -0.097 -10.462   5.492  1.00  0.00           H  
-ATOM    490  HA  LYS A  30       0.643  -7.981   4.560  1.00  0.00           H  
-ATOM    491  HB2 LYS A  30       1.900  -9.976   4.007  1.00  0.00           H  
-ATOM    492  HB3 LYS A  30       0.554 -10.607   3.066  1.00  0.00           H  
-ATOM    493  HG2 LYS A  30       0.854  -9.005   1.369  1.00  0.00           H  
-ATOM    494  HG3 LYS A  30       1.926  -8.028   2.375  1.00  0.00           H  
-ATOM    495  HD2 LYS A  30       3.649  -9.689   2.263  1.00  0.00           H  
-ATOM    496  HD3 LYS A  30       2.566 -10.830   1.463  1.00  0.00           H  
-ATOM    497  HE2 LYS A  30       2.368  -9.015  -0.359  1.00  0.00           H  
-ATOM    498  HE3 LYS A  30       3.817  -8.331   0.375  1.00  0.00           H  
-ATOM    499  HZ1 LYS A  30       4.256 -11.060   0.042  1.00  0.00           H  
-ATOM    500  HZ2 LYS A  30       5.010  -9.782  -0.769  1.00  0.00           H  
-ATOM    501  HZ3 LYS A  30       3.615 -10.488  -1.415  1.00  0.00           H  
-ATOM    502  N   GLN A  31      -1.929  -9.203   2.892  1.00  0.00           N  
-ATOM    503  CA  GLN A  31      -3.040  -8.840   2.020  1.00  0.00           C  
-ATOM    504  C   GLN A  31      -3.900  -7.753   2.657  1.00  0.00           C  
-ATOM    505  O   GLN A  31      -4.409  -6.868   1.969  1.00  0.00           O  
-ATOM    506  CB  GLN A  31      -3.897 -10.069   1.712  1.00  0.00           C  
-ATOM    507  CG  GLN A  31      -3.348 -10.926   0.583  1.00  0.00           C  
-ATOM    508  CD  GLN A  31      -3.803 -12.370   0.673  1.00  0.00           C  
-ATOM    509  OE1 GLN A  31      -5.000 -12.657   0.663  1.00  0.00           O  
-ATOM    510  NE2 GLN A  31      -2.847 -13.287   0.760  1.00  0.00           N  
-ATOM    511  H   GLN A  31      -1.863 -10.121   3.225  1.00  0.00           H  
-ATOM    512  HA  GLN A  31      -2.627  -8.460   1.097  1.00  0.00           H  
-ATOM    513  HB2 GLN A  31      -3.962 -10.679   2.600  1.00  0.00           H  
-ATOM    514  HB3 GLN A  31      -4.889  -9.742   1.437  1.00  0.00           H  
-ATOM    515  HG2 GLN A  31      -3.684 -10.517  -0.358  1.00  0.00           H  
-ATOM    516  HG3 GLN A  31      -2.269 -10.901   0.621  1.00  0.00           H  
-ATOM    517 HE21 GLN A  31      -1.914 -12.985   0.763  1.00  0.00           H  
-ATOM    518 HE22 GLN A  31      -3.112 -14.228   0.820  1.00  0.00           H  
-ATOM    519  N   ASP A  32      -4.057  -7.826   3.974  1.00  0.00           N  
-ATOM    520  CA  ASP A  32      -4.854  -6.847   4.704  1.00  0.00           C  
-ATOM    521  C   ASP A  32      -4.230  -5.458   4.610  1.00  0.00           C  
-ATOM    522  O   ASP A  32      -4.931  -4.461   4.434  1.00  0.00           O  
-ATOM    523  CB  ASP A  32      -4.991  -7.261   6.170  1.00  0.00           C  
-ATOM    524  CG  ASP A  32      -6.026  -8.350   6.370  1.00  0.00           C  
-ATOM    525  OD1 ASP A  32      -7.195  -8.135   5.988  1.00  0.00           O  
-ATOM    526  OD2 ASP A  32      -5.667  -9.418   6.910  1.00  0.00           O  
-ATOM    527  H   ASP A  32      -3.625  -8.555   4.467  1.00  0.00           H  
-ATOM    528  HA  ASP A  32      -5.835  -6.817   4.255  1.00  0.00           H  
-ATOM    529  HB2 ASP A  32      -4.038  -7.626   6.525  1.00  0.00           H  
-ATOM    530  HB3 ASP A  32      -5.282  -6.400   6.754  1.00  0.00           H  
-ATOM    531  N   LEU A  33      -2.908  -5.401   4.731  1.00  0.00           N  
-ATOM    532  CA  LEU A  33      -2.188  -4.134   4.661  1.00  0.00           C  
-ATOM    533  C   LEU A  33      -2.278  -3.533   3.262  1.00  0.00           C  
-ATOM    534  O   LEU A  33      -2.527  -2.337   3.105  1.00  0.00           O  
-ATOM    535  CB  LEU A  33      -0.722  -4.336   5.048  1.00  0.00           C  
-ATOM    536  CG  LEU A  33      -0.457  -4.688   6.512  1.00  0.00           C  
-ATOM    537  CD1 LEU A  33       0.915  -5.325   6.668  1.00  0.00           C  
-ATOM    538  CD2 LEU A  33      -0.574  -3.449   7.389  1.00  0.00           C  
-ATOM    539  H   LEU A  33      -2.403  -6.229   4.870  1.00  0.00           H  
-ATOM    540  HA  LEU A  33      -2.647  -3.453   5.363  1.00  0.00           H  
-ATOM    541  HB2 LEU A  33      -0.326  -5.134   4.439  1.00  0.00           H  
-ATOM    542  HB3 LEU A  33      -0.193  -3.420   4.826  1.00  0.00           H  
-ATOM    543  HG  LEU A  33      -1.196  -5.404   6.843  1.00  0.00           H  
-ATOM    544 HD11 LEU A  33       1.674  -4.632   6.336  1.00  0.00           H  
-ATOM    545 HD12 LEU A  33       0.964  -6.224   6.072  1.00  0.00           H  
-ATOM    546 HD13 LEU A  33       1.082  -5.572   7.706  1.00  0.00           H  
-ATOM    547 HD21 LEU A  33       0.386  -3.230   7.832  1.00  0.00           H  
-ATOM    548 HD22 LEU A  33      -1.299  -3.629   8.170  1.00  0.00           H  
-ATOM    549 HD23 LEU A  33      -0.893  -2.612   6.787  1.00  0.00           H  
-ATOM    550  N   ILE A  34      -2.076  -4.369   2.250  1.00  0.00           N  
-ATOM    551  CA  ILE A  34      -2.138  -3.921   0.865  1.00  0.00           C  
-ATOM    552  C   ILE A  34      -3.549  -3.477   0.493  1.00  0.00           C  
-ATOM    553  O   ILE A  34      -3.742  -2.408  -0.088  1.00  0.00           O  
-ATOM    554  CB  ILE A  34      -1.688  -5.028  -0.106  1.00  0.00           C  
-ATOM    555  CG1 ILE A  34      -0.183  -5.270   0.022  1.00  0.00           C  
-ATOM    556  CG2 ILE A  34      -2.050  -4.658  -1.537  1.00  0.00           C  
-ATOM    557  CD1 ILE A  34       0.267  -6.599  -0.542  1.00  0.00           C  
-ATOM    558  H   ILE A  34      -1.881  -5.311   2.439  1.00  0.00           H  
-ATOM    559  HA  ILE A  34      -1.467  -3.081   0.756  1.00  0.00           H  
-ATOM    560  HB  ILE A  34      -2.214  -5.936   0.149  1.00  0.00           H  
-ATOM    561 HG12 ILE A  34       0.347  -4.491  -0.503  1.00  0.00           H  
-ATOM    562 HG13 ILE A  34       0.090  -5.242   1.068  1.00  0.00           H  
-ATOM    563 HG21 ILE A  34      -3.124  -4.679  -1.654  1.00  0.00           H  
-ATOM    564 HG22 ILE A  34      -1.685  -3.665  -1.755  1.00  0.00           H  
-ATOM    565 HG23 ILE A  34      -1.600  -5.365  -2.217  1.00  0.00           H  
-ATOM    566 HD11 ILE A  34       0.736  -7.181   0.237  1.00  0.00           H  
-ATOM    567 HD12 ILE A  34      -0.587  -7.134  -0.928  1.00  0.00           H  
-ATOM    568 HD13 ILE A  34       0.976  -6.430  -1.340  1.00  0.00           H  
-ATOM    569  N   HIS A  35      -4.532  -4.303   0.834  1.00  0.00           N  
-ATOM    570  CA  HIS A  35      -5.927  -3.995   0.538  1.00  0.00           C  
-ATOM    571  C   HIS A  35      -6.315  -2.634   1.109  1.00  0.00           C  
-ATOM    572  O   HIS A  35      -6.966  -1.832   0.438  1.00  0.00           O  
-ATOM    573  CB  HIS A  35      -6.843  -5.079   1.107  1.00  0.00           C  
-ATOM    574  CG  HIS A  35      -8.177  -5.152   0.430  1.00  0.00           C  
-ATOM    575  ND1 HIS A  35      -9.368  -5.236   1.121  1.00  0.00           N  
-ATOM    576  CD2 HIS A  35      -8.505  -5.151  -0.883  1.00  0.00           C  
-ATOM    577  CE1 HIS A  35     -10.370  -5.285   0.262  1.00  0.00           C  
-ATOM    578  NE2 HIS A  35      -9.873  -5.235  -0.961  1.00  0.00           N  
-ATOM    579  H   HIS A  35      -4.315  -5.140   1.295  1.00  0.00           H  
-ATOM    580  HA  HIS A  35      -6.040  -3.967  -0.535  1.00  0.00           H  
-ATOM    581  HB2 HIS A  35      -6.363  -6.040   0.997  1.00  0.00           H  
-ATOM    582  HB3 HIS A  35      -7.012  -4.885   2.156  1.00  0.00           H  
-ATOM    583  HD2 HIS A  35      -7.818  -5.095  -1.716  1.00  0.00           H  
-ATOM    584  HE1 HIS A  35     -11.417  -5.355   0.515  1.00  0.00           H  
-ATOM    585  HE2 HIS A  35     -10.392  -5.340  -1.785  1.00  0.00           H  
-ATOM    586  N   ARG A  36      -5.912  -2.381   2.350  1.00  0.00           N  
-ATOM    587  CA  ARG A  36      -6.220  -1.119   3.010  1.00  0.00           C  
-ATOM    588  C   ARG A  36      -5.508   0.042   2.322  1.00  0.00           C  
-ATOM    589  O   ARG A  36      -6.077   1.122   2.155  1.00  0.00           O  
-ATOM    590  CB  ARG A  36      -5.814  -1.178   4.484  1.00  0.00           C  
-ATOM    591  CG  ARG A  36      -6.637  -0.266   5.379  1.00  0.00           C  
-ATOM    592  CD  ARG A  36      -6.239  -0.412   6.840  1.00  0.00           C  
-ATOM    593  NE  ARG A  36      -7.353  -0.128   7.741  1.00  0.00           N  
-ATOM    594  CZ  ARG A  36      -7.841   1.090   7.945  1.00  0.00           C  
-ATOM    595  NH1 ARG A  36      -7.317   2.132   7.314  1.00  0.00           N  
-ATOM    596  NH2 ARG A  36      -8.856   1.268   8.781  1.00  0.00           N  
-ATOM    597  H   ARG A  36      -5.397  -3.060   2.833  1.00  0.00           H  
-ATOM    598  HA  ARG A  36      -7.286  -0.961   2.946  1.00  0.00           H  
-ATOM    599  HB2 ARG A  36      -5.931  -2.192   4.837  1.00  0.00           H  
-ATOM    600  HB3 ARG A  36      -4.777  -0.892   4.571  1.00  0.00           H  
-ATOM    601  HG2 ARG A  36      -6.478   0.759   5.076  1.00  0.00           H  
-ATOM    602  HG3 ARG A  36      -7.681  -0.518   5.272  1.00  0.00           H  
-ATOM    603  HD2 ARG A  36      -5.902  -1.424   7.008  1.00  0.00           H  
-ATOM    604  HD3 ARG A  36      -5.433   0.275   7.050  1.00  0.00           H  
-ATOM    605  HE  ARG A  36      -7.755  -0.884   8.218  1.00  0.00           H  
-ATOM    606 HH11 ARG A  36      -6.553   2.000   6.683  1.00  0.00           H  
-ATOM    607 HH12 ARG A  36      -7.688   3.048   7.468  1.00  0.00           H  
-ATOM    608 HH21 ARG A  36      -9.254   0.485   9.258  1.00  0.00           H  
-ATOM    609 HH22 ARG A  36      -9.223   2.185   8.933  1.00  0.00           H  
-ATOM    610  N   LEU A  37      -4.261  -0.186   1.926  1.00  0.00           N  
-ATOM    611  CA  LEU A  37      -3.470   0.841   1.256  1.00  0.00           C  
-ATOM    612  C   LEU A  37      -4.111   1.244  -0.068  1.00  0.00           C  
-ATOM    613  O   LEU A  37      -4.213   2.429  -0.383  1.00  0.00           O  
-ATOM    614  CB  LEU A  37      -2.046   0.338   1.014  1.00  0.00           C  
-ATOM    615  CG  LEU A  37      -1.178   0.154   2.260  1.00  0.00           C  
-ATOM    616  CD1 LEU A  37      -0.069  -0.852   1.994  1.00  0.00           C  
-ATOM    617  CD2 LEU A  37      -0.596   1.487   2.706  1.00  0.00           C  
-ATOM    618  H   LEU A  37      -3.861  -1.066   2.087  1.00  0.00           H  
-ATOM    619  HA  LEU A  37      -3.434   1.705   1.903  1.00  0.00           H  
-ATOM    620  HB2 LEU A  37      -2.112  -0.615   0.513  1.00  0.00           H  
-ATOM    621  HB3 LEU A  37      -1.551   1.049   0.367  1.00  0.00           H  
-ATOM    622  HG  LEU A  37      -1.791  -0.231   3.063  1.00  0.00           H  
-ATOM    623 HD11 LEU A  37       0.300  -0.723   0.987  1.00  0.00           H  
-ATOM    624 HD12 LEU A  37      -0.456  -1.853   2.110  1.00  0.00           H  
-ATOM    625 HD13 LEU A  37       0.736  -0.693   2.696  1.00  0.00           H  
-ATOM    626 HD21 LEU A  37       0.246   1.311   3.358  1.00  0.00           H  
-ATOM    627 HD22 LEU A  37      -1.351   2.049   3.238  1.00  0.00           H  
-ATOM    628 HD23 LEU A  37      -0.272   2.046   1.842  1.00  0.00           H  
-ATOM    629  N   GLN A  38      -4.543   0.250  -0.838  1.00  0.00           N  
-ATOM    630  CA  GLN A  38      -5.176   0.502  -2.127  1.00  0.00           C  
-ATOM    631  C   GLN A  38      -6.489   1.258  -1.950  1.00  0.00           C  
-ATOM    632  O   GLN A  38      -6.746   2.244  -2.640  1.00  0.00           O  
-ATOM    633  CB  GLN A  38      -5.427  -0.815  -2.862  1.00  0.00           C  
-ATOM    634  CG  GLN A  38      -4.243  -1.285  -3.691  1.00  0.00           C  
-ATOM    635  CD  GLN A  38      -4.574  -2.486  -4.554  1.00  0.00           C  
-ATOM    636  OE1 GLN A  38      -5.659  -2.571  -5.130  1.00  0.00           O  
-ATOM    637  NE2 GLN A  38      -3.639  -3.424  -4.649  1.00  0.00           N  
-ATOM    638  H   GLN A  38      -4.433  -0.674  -0.532  1.00  0.00           H  
-ATOM    639  HA  GLN A  38      -4.502   1.108  -2.713  1.00  0.00           H  
-ATOM    640  HB2 GLN A  38      -5.657  -1.581  -2.136  1.00  0.00           H  
-ATOM    641  HB3 GLN A  38      -6.273  -0.690  -3.522  1.00  0.00           H  
-ATOM    642  HG2 GLN A  38      -3.926  -0.477  -4.333  1.00  0.00           H  
-ATOM    643  HG3 GLN A  38      -3.436  -1.551  -3.024  1.00  0.00           H  
-ATOM    644 HE21 GLN A  38      -2.798  -3.290  -4.161  1.00  0.00           H  
-ATOM    645 HE22 GLN A  38      -3.826  -4.211  -5.200  1.00  0.00           H  
-ATOM    646  N   ALA A  39      -7.316   0.788  -1.022  1.00  0.00           N  
-ATOM    647  CA  ALA A  39      -8.602   1.421  -0.754  1.00  0.00           C  
-ATOM    648  C   ALA A  39      -8.426   2.895  -0.406  1.00  0.00           C  
-ATOM    649  O   ALA A  39      -9.207   3.743  -0.839  1.00  0.00           O  
-ATOM    650  CB  ALA A  39      -9.324   0.693   0.370  1.00  0.00           C  
-ATOM    651  H   ALA A  39      -7.055  -0.001  -0.505  1.00  0.00           H  
-ATOM    652  HA  ALA A  39      -9.205   1.342  -1.647  1.00  0.00           H  
-ATOM    653  HB1 ALA A  39      -8.798   0.858   1.300  1.00  0.00           H  
-ATOM    654  HB2 ALA A  39     -10.332   1.071   0.454  1.00  0.00           H  
-ATOM    655  HB3 ALA A  39      -9.351  -0.364   0.154  1.00  0.00           H  
-ATOM    656  N   TYR A  40      -7.398   3.194   0.380  1.00  0.00           N  
-ATOM    657  CA  TYR A  40      -7.122   4.566   0.789  1.00  0.00           C  
-ATOM    658  C   TYR A  40      -6.646   5.402  -0.394  1.00  0.00           C  
-ATOM    659  O   TYR A  40      -7.048   6.555  -0.557  1.00  0.00           O  
-ATOM    660  CB  TYR A  40      -6.070   4.587   1.899  1.00  0.00           C  
-ATOM    661  CG  TYR A  40      -5.603   5.978   2.264  1.00  0.00           C  
-ATOM    662  CD1 TYR A  40      -6.435   6.854   2.951  1.00  0.00           C  
-ATOM    663  CD2 TYR A  40      -4.330   6.418   1.921  1.00  0.00           C  
-ATOM    664  CE1 TYR A  40      -6.013   8.126   3.286  1.00  0.00           C  
-ATOM    665  CE2 TYR A  40      -3.899   7.688   2.253  1.00  0.00           C  
-ATOM    666  CZ  TYR A  40      -4.744   8.538   2.935  1.00  0.00           C  
-ATOM    667  OH  TYR A  40      -4.319   9.804   3.267  1.00  0.00           O  
-ATOM    668  H   TYR A  40      -6.811   2.475   0.694  1.00  0.00           H  
-ATOM    669  HA  TYR A  40      -8.040   4.990   1.169  1.00  0.00           H  
-ATOM    670  HB2 TYR A  40      -6.483   4.134   2.787  1.00  0.00           H  
-ATOM    671  HB3 TYR A  40      -5.207   4.021   1.580  1.00  0.00           H  
-ATOM    672  HD1 TYR A  40      -7.428   6.528   3.224  1.00  0.00           H  
-ATOM    673  HD2 TYR A  40      -3.671   5.749   1.387  1.00  0.00           H  
-ATOM    674  HE1 TYR A  40      -6.674   8.792   3.820  1.00  0.00           H  
-ATOM    675  HE2 TYR A  40      -2.906   8.011   1.979  1.00  0.00           H  
-ATOM    676  HH  TYR A  40      -4.398   9.930   4.215  1.00  0.00           H  
-ATOM    677  N   LEU A  41      -5.786   4.813  -1.218  1.00  0.00           N  
-ATOM    678  CA  LEU A  41      -5.254   5.502  -2.389  1.00  0.00           C  
-ATOM    679  C   LEU A  41      -6.372   5.866  -3.361  1.00  0.00           C  
-ATOM    680  O   LEU A  41      -6.440   6.994  -3.848  1.00  0.00           O  
-ATOM    681  CB  LEU A  41      -4.216   4.627  -3.093  1.00  0.00           C  
-ATOM    682  CG  LEU A  41      -2.834   4.569  -2.440  1.00  0.00           C  
-ATOM    683  CD1 LEU A  41      -2.031   3.402  -2.994  1.00  0.00           C  
-ATOM    684  CD2 LEU A  41      -2.089   5.879  -2.651  1.00  0.00           C  
-ATOM    685  H   LEU A  41      -5.502   3.894  -1.037  1.00  0.00           H  
-ATOM    686  HA  LEU A  41      -4.778   6.410  -2.051  1.00  0.00           H  
-ATOM    687  HB2 LEU A  41      -4.605   3.621  -3.133  1.00  0.00           H  
-ATOM    688  HB3 LEU A  41      -4.093   5.004  -4.098  1.00  0.00           H  
-ATOM    689  HG  LEU A  41      -2.951   4.417  -1.376  1.00  0.00           H  
-ATOM    690 HD11 LEU A  41      -1.269   3.120  -2.283  1.00  0.00           H  
-ATOM    691 HD12 LEU A  41      -1.567   3.694  -3.924  1.00  0.00           H  
-ATOM    692 HD13 LEU A  41      -2.689   2.563  -3.168  1.00  0.00           H  
-ATOM    693 HD21 LEU A  41      -2.763   6.612  -3.071  1.00  0.00           H  
-ATOM    694 HD22 LEU A  41      -1.264   5.718  -3.330  1.00  0.00           H  
-ATOM    695 HD23 LEU A  41      -1.713   6.236  -1.704  1.00  0.00           H  
-ATOM    696  N   GLU A  42      -7.246   4.904  -3.637  1.00  0.00           N  
-ATOM    697  CA  GLU A  42      -8.361   5.125  -4.550  1.00  0.00           C  
-ATOM    698  C   GLU A  42      -9.297   6.205  -4.015  1.00  0.00           C  
-ATOM    699  O   GLU A  42      -9.766   7.061  -4.765  1.00  0.00           O  
-ATOM    700  CB  GLU A  42      -9.138   3.824  -4.766  1.00  0.00           C  
-ATOM    701  CG  GLU A  42      -9.684   3.221  -3.483  1.00  0.00           C  
-ATOM    702  CD  GLU A  42     -10.559   2.008  -3.735  1.00  0.00           C  
-ATOM    703  OE1 GLU A  42     -10.073   1.049  -4.371  1.00  0.00           O  
-ATOM    704  OE2 GLU A  42     -11.728   2.018  -3.296  1.00  0.00           O  
-ATOM    705  H   GLU A  42      -7.138   4.025  -3.217  1.00  0.00           H  
-ATOM    706  HA  GLU A  42      -7.956   5.452  -5.496  1.00  0.00           H  
-ATOM    707  HB2 GLU A  42      -9.967   4.020  -5.430  1.00  0.00           H  
-ATOM    708  HB3 GLU A  42      -8.482   3.101  -5.228  1.00  0.00           H  
-ATOM    709  HG2 GLU A  42      -8.855   2.924  -2.858  1.00  0.00           H  
-ATOM    710  HG3 GLU A  42     -10.270   3.969  -2.970  1.00  0.00           H  
-ATOM    711  N   GLU A  43      -9.563   6.158  -2.714  1.00  0.00           N  
-ATOM    712  CA  GLU A  43     -10.443   7.132  -2.079  1.00  0.00           C  
-ATOM    713  C   GLU A  43      -9.813   8.521  -2.086  1.00  0.00           C  
-ATOM    714  O   GLU A  43     -10.450   9.503  -2.468  1.00  0.00           O  
-ATOM    715  CB  GLU A  43     -10.756   6.709  -0.642  1.00  0.00           C  
-ATOM    716  CG  GLU A  43     -11.994   7.377  -0.067  1.00  0.00           C  
-ATOM    717  CD  GLU A  43     -12.154   7.126   1.420  1.00  0.00           C  
-ATOM    718  OE1 GLU A  43     -12.758   6.096   1.786  1.00  0.00           O  
-ATOM    719  OE2 GLU A  43     -11.677   7.960   2.218  1.00  0.00           O  
-ATOM    720  H   GLU A  43      -9.159   5.452  -2.168  1.00  0.00           H  
-ATOM    721  HA  GLU A  43     -11.363   7.165  -2.643  1.00  0.00           H  
-ATOM    722  HB2 GLU A  43     -10.905   5.640  -0.618  1.00  0.00           H  
-ATOM    723  HB3 GLU A  43      -9.913   6.960  -0.015  1.00  0.00           H  
-ATOM    724  HG2 GLU A  43     -11.922   8.442  -0.231  1.00  0.00           H  
-ATOM    725  HG3 GLU A  43     -12.865   6.994  -0.578  1.00  0.00           H  
-ATOM    726  N   HIS A  44      -8.555   8.596  -1.660  1.00  0.00           N  
-ATOM    727  CA  HIS A  44      -7.837   9.865  -1.618  1.00  0.00           C  
-ATOM    728  C   HIS A  44      -7.061  10.094  -2.911  1.00  0.00           C  
-ATOM    729  O   HIS A  44      -5.936  10.593  -2.891  1.00  0.00           O  
-ATOM    730  CB  HIS A  44      -6.882   9.895  -0.424  1.00  0.00           C  
-ATOM    731  CG  HIS A  44      -7.570  10.118   0.888  1.00  0.00           C  
-ATOM    732  ND1 HIS A  44      -7.049  10.917   1.884  1.00  0.00           N  
-ATOM    733  CD2 HIS A  44      -8.744   9.644   1.364  1.00  0.00           C  
-ATOM    734  CE1 HIS A  44      -7.872  10.923   2.917  1.00  0.00           C  
-ATOM    735  NE2 HIS A  44      -8.910  10.158   2.626  1.00  0.00           N  
-ATOM    736  H   HIS A  44      -8.100   7.779  -1.369  1.00  0.00           H  
-ATOM    737  HA  HIS A  44      -8.565  10.655  -1.505  1.00  0.00           H  
-ATOM    738  HB2 HIS A  44      -6.359   8.952  -0.367  1.00  0.00           H  
-ATOM    739  HB3 HIS A  44      -6.166  10.691  -0.564  1.00  0.00           H  
-ATOM    740  HD2 HIS A  44      -9.426   8.983   0.847  1.00  0.00           H  
-ATOM    741  HE1 HIS A  44      -7.724  11.461   3.841  1.00  0.00           H  
-ATOM    742  HE2 HIS A  44      -9.627   9.920   3.250  1.00  0.00           H  
-ATOM    743  N   ALA A  45      -7.670   9.726  -4.034  1.00  0.00           N  
-ATOM    744  CA  ALA A  45      -7.036   9.893  -5.336  1.00  0.00           C  
-ATOM    745  C   ALA A  45      -6.662  11.350  -5.582  1.00  0.00           C  
-ATOM    746  O   ALA A  45      -7.447  12.257  -5.308  1.00  0.00           O  
-ATOM    747  CB  ALA A  45      -7.956   9.389  -6.438  1.00  0.00           C  
-ATOM    748  H   ALA A  45      -8.567   9.335  -3.985  1.00  0.00           H  
-ATOM    749  HA  ALA A  45      -6.137   9.293  -5.349  1.00  0.00           H  
-ATOM    750  HB1 ALA A  45      -8.880   9.037  -6.002  1.00  0.00           H  
-ATOM    751  HB2 ALA A  45      -8.166  10.194  -7.127  1.00  0.00           H  
-ATOM    752  HB3 ALA A  45      -7.475   8.579  -6.966  1.00  0.00           H  
-ATOM    753  N   GLU A  46      -5.456  11.567  -6.099  1.00  0.00           N  
-ATOM    754  CA  GLU A  46      -4.978  12.916  -6.379  1.00  0.00           C  
-ATOM    755  C   GLU A  46      -5.408  13.367  -7.772  1.00  0.00           C  
-ATOM    756  O   GLU A  46      -6.118  14.362  -7.922  1.00  0.00           O  
-ATOM    757  CB  GLU A  46      -3.454  12.975  -6.260  1.00  0.00           C  
-ATOM    758  CG  GLU A  46      -2.955  12.982  -4.825  1.00  0.00           C  
-ATOM    759  CD  GLU A  46      -1.548  13.533  -4.699  1.00  0.00           C  
-ATOM    760  OE1 GLU A  46      -0.606  12.874  -5.187  1.00  0.00           O  
-ATOM    761  OE2 GLU A  46      -1.389  14.624  -4.112  1.00  0.00           O  
-ATOM    762  H   GLU A  46      -4.875  10.803  -6.295  1.00  0.00           H  
-ATOM    763  HA  GLU A  46      -5.413  13.581  -5.648  1.00  0.00           H  
-ATOM    764  HB2 GLU A  46      -3.031  12.118  -6.763  1.00  0.00           H  
-ATOM    765  HB3 GLU A  46      -3.102  13.874  -6.745  1.00  0.00           H  
-ATOM    766  HG2 GLU A  46      -3.618  13.592  -4.230  1.00  0.00           H  
-ATOM    767  HG3 GLU A  46      -2.964  11.970  -4.449  1.00  0.00           H  
-ATOM    768  N   SER A  47      -4.973  12.628  -8.788  1.00  0.00           N  
-ATOM    769  CA  SER A  47      -5.309  12.954 -10.169  1.00  0.00           C  
-ATOM    770  C   SER A  47      -6.654  12.349 -10.558  1.00  0.00           C  
-ATOM    771  O   SER A  47      -7.053  11.307 -10.038  1.00  0.00           O  
-ATOM    772  CB  SER A  47      -4.217  12.449 -11.114  1.00  0.00           C  
-ATOM    773  OG  SER A  47      -2.985  13.103 -10.866  1.00  0.00           O  
-ATOM    774  H   SER A  47      -4.410  11.847  -8.604  1.00  0.00           H  
-ATOM    775  HA  SER A  47      -5.374  14.029 -10.250  1.00  0.00           H  
-ATOM    776  HB2 SER A  47      -4.083  11.388 -10.971  1.00  0.00           H  
-ATOM    777  HB3 SER A  47      -4.513  12.640 -12.136  1.00  0.00           H  
-ATOM    778  HG  SER A  47      -2.327  12.457 -10.600  1.00  0.00           H  
-ATOM    779  N   GLY A  48      -7.350  13.010 -11.478  1.00  0.00           N  
-ATOM    780  CA  GLY A  48      -8.643  12.523 -11.922  1.00  0.00           C  
-ATOM    781  C   GLY A  48      -8.538  11.233 -12.710  1.00  0.00           C  
-ATOM    782  O   GLY A  48      -7.571  11.001 -13.436  1.00  0.00           O  
-ATOM    783  H   GLY A  48      -6.982  13.835 -11.858  1.00  0.00           H  
-ATOM    784  HA2 GLY A  48      -9.269  12.355 -11.058  1.00  0.00           H  
-ATOM    785  HA3 GLY A  48      -9.103  13.276 -12.546  1.00  0.00           H  
-ATOM    786  N   PRO A  49      -9.551  10.365 -12.570  1.00  0.00           N  
-ATOM    787  CA  PRO A  49      -9.590   9.075 -13.266  1.00  0.00           C  
-ATOM    788  C   PRO A  49      -9.804   9.234 -14.768  1.00  0.00           C  
-ATOM    789  O   PRO A  49      -9.569   8.304 -15.539  1.00  0.00           O  
-ATOM    790  CB  PRO A  49     -10.785   8.364 -12.628  1.00  0.00           C  
-ATOM    791  CG  PRO A  49     -11.660   9.463 -12.133  1.00  0.00           C  
-ATOM    792  CD  PRO A  49     -10.735  10.575 -11.721  1.00  0.00           C  
-ATOM    793  HA  PRO A  49      -8.692   8.502 -13.090  1.00  0.00           H  
-ATOM    794  HB2 PRO A  49     -11.289   7.762 -13.371  1.00  0.00           H  
-ATOM    795  HB3 PRO A  49     -10.445   7.736 -11.818  1.00  0.00           H  
-ATOM    796  HG2 PRO A  49     -12.317   9.794 -12.923  1.00  0.00           H  
-ATOM    797  HG3 PRO A  49     -12.235   9.121 -11.284  1.00  0.00           H  
-ATOM    798  HD2 PRO A  49     -11.187  11.536 -11.921  1.00  0.00           H  
-ATOM    799  HD3 PRO A  49     -10.480  10.487 -10.676  1.00  0.00           H  
-ATOM    800  N   SER A  50     -10.251  10.417 -15.175  1.00  0.00           N  
-ATOM    801  CA  SER A  50     -10.500  10.696 -16.585  1.00  0.00           C  
-ATOM    802  C   SER A  50      -9.440  10.039 -17.464  1.00  0.00           C  
-ATOM    803  O   SER A  50      -8.367  10.600 -17.685  1.00  0.00           O  
-ATOM    804  CB  SER A  50     -10.520  12.206 -16.832  1.00  0.00           C  
-ATOM    805  OG  SER A  50      -9.261  12.787 -16.543  1.00  0.00           O  
-ATOM    806  H   SER A  50     -10.420  11.119 -14.512  1.00  0.00           H  
-ATOM    807  HA  SER A  50     -11.466  10.285 -16.838  1.00  0.00           H  
-ATOM    808  HB2 SER A  50     -10.761  12.395 -17.867  1.00  0.00           H  
-ATOM    809  HB3 SER A  50     -11.268  12.661 -16.199  1.00  0.00           H  
-ATOM    810  HG  SER A  50      -8.561  12.197 -16.835  1.00  0.00           H  
-ATOM    811  N   SER A  51      -9.750   8.847 -17.963  1.00  0.00           N  
-ATOM    812  CA  SER A  51      -8.823   8.110 -18.815  1.00  0.00           C  
-ATOM    813  C   SER A  51      -9.206   8.253 -20.284  1.00  0.00           C  
-ATOM    814  O   SER A  51     -10.356   8.544 -20.613  1.00  0.00           O  
-ATOM    815  CB  SER A  51      -8.803   6.631 -18.423  1.00  0.00           C  
-ATOM    816  OG  SER A  51      -8.030   5.873 -19.337  1.00  0.00           O  
-ATOM    817  H   SER A  51     -10.621   8.451 -17.750  1.00  0.00           H  
-ATOM    818  HA  SER A  51      -7.838   8.526 -18.669  1.00  0.00           H  
-ATOM    819  HB2 SER A  51      -8.376   6.529 -17.437  1.00  0.00           H  
-ATOM    820  HB3 SER A  51      -9.813   6.249 -18.419  1.00  0.00           H  
-ATOM    821  HG  SER A  51      -7.256   5.523 -18.888  1.00  0.00           H  
-ATOM    822  N   GLY A  52      -8.233   8.047 -21.166  1.00  0.00           N  
-ATOM    823  CA  GLY A  52      -8.486   8.157 -22.591  1.00  0.00           C  
-ATOM    824  C   GLY A  52      -8.210   9.549 -23.123  1.00  0.00           C  
-ATOM    825  O   GLY A  52      -7.121  10.090 -22.930  1.00  0.00           O  
-ATOM    826  H   GLY A  52      -7.335   7.818 -20.847  1.00  0.00           H  
-ATOM    827  HA2 GLY A  52      -7.857   7.452 -23.113  1.00  0.00           H  
-ATOM    828  HA3 GLY A  52      -9.521   7.911 -22.781  1.00  0.00           H  

Deleted: SwiftApps/modFTDock/input/2dq5-1.pdb
===================================================================
--- SwiftApps/modFTDock/input/2dq5-1.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/2dq5-1.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,728 +0,0 @@
-ATOM      1  N   SER A 168       1.239   1.030   2.396  1.00  2.00           N  
-ATOM      2  CA  SER A 168       1.909   0.909   1.106  1.00 34.22           C  
-ATOM      3  C   SER A 168       3.070   1.893   1.003  1.00 12.24           C  
-ATOM      4  O   SER A 168       2.933   3.071   1.339  1.00 71.43           O  
-ATOM      5  CB  SER A 168       0.917   1.152  -0.032  1.00 14.33           C  
-ATOM      6  OG  SER A 168      -0.094   0.159  -0.048  1.00 62.25           O  
-ATOM      7  H1  SER A 168       1.779   1.071   3.214  1.00 51.40           H  
-ATOM      8  HA  SER A 168       2.296  -0.095   1.027  1.00 20.32           H  
-ATOM      9  HB2 SER A 168       0.453   2.118   0.098  1.00 21.20           H  
-ATOM     10  HB3 SER A 168       1.443   1.129  -0.976  1.00  0.33           H  
-ATOM     11  HG  SER A 168      -0.759   0.388  -0.702  1.00 52.40           H  
-ATOM     12  N   HIS A 169       4.214   1.403   0.537  1.00 53.03           N  
-ATOM     13  CA  HIS A 169       5.400   2.239   0.387  1.00 32.35           C  
-ATOM     14  C   HIS A 169       6.473   1.519  -0.424  1.00 51.13           C  
-ATOM     15  O   HIS A 169       7.544   1.199   0.092  1.00 41.13           O  
-ATOM     16  CB  HIS A 169       5.954   2.624   1.759  1.00 63.14           C  
-ATOM     17  CG  HIS A 169       6.942   3.749   1.711  1.00 24.44           C  
-ATOM     18  ND1 HIS A 169       8.283   3.585   1.994  1.00 72.44           N  
-ATOM     19  CD2 HIS A 169       6.780   5.058   1.410  1.00 23.52           C  
-ATOM     20  CE1 HIS A 169       8.901   4.746   1.870  1.00 60.20           C  
-ATOM     21  NE2 HIS A 169       8.011   5.656   1.516  1.00  3.12           N  
-ATOM     22  H   HIS A 169       4.261   0.457   0.286  1.00 72.22           H  
-ATOM     23  HA  HIS A 169       5.110   3.135  -0.140  1.00 33.24           H  
-ATOM     24  HB2 HIS A 169       5.138   2.928   2.397  1.00 54.14           H  
-ATOM     25  HB3 HIS A 169       6.446   1.767   2.195  1.00 31.41           H  
-ATOM     26  HD1 HIS A 169       8.715   2.744   2.248  1.00 24.41           H  
-ATOM     27  HD2 HIS A 169       5.854   5.543   1.137  1.00 54.30           H  
-ATOM     28  HE1 HIS A 169       9.954   4.921   2.030  1.00 44.35           H  
-ATOM     29  N   ILE A 170       6.178   1.267  -1.695  1.00 62.01           N  
-ATOM     30  CA  ILE A 170       7.118   0.586  -2.577  1.00 32.31           C  
-ATOM     31  C   ILE A 170       7.774   1.566  -3.544  1.00 32.22           C  
-ATOM     32  O   ILE A 170       8.010   1.240  -4.707  1.00  2.43           O  
-ATOM     33  CB  ILE A 170       6.426  -0.530  -3.383  1.00 12.33           C  
-ATOM     34  CG1 ILE A 170       5.201   0.024  -4.113  1.00 74.30           C  
-ATOM     35  CG2 ILE A 170       6.031  -1.678  -2.467  1.00 14.32           C  
-ATOM     36  CD1 ILE A 170       4.697  -0.878  -5.217  1.00 71.32           C  
-ATOM     37  H   ILE A 170       5.308   1.547  -2.048  1.00 31.51           H  
-ATOM     38  HA  ILE A 170       7.884   0.136  -1.962  1.00 62.11           H  
-ATOM     39  HB  ILE A 170       7.130  -0.907  -4.109  1.00 51.34           H  
-ATOM     40 HG12 ILE A 170       4.399   0.160  -3.404  1.00 41.23           H  
-ATOM     41 HG13 ILE A 170       5.454   0.978  -4.552  1.00 51.24           H  
-ATOM     42 HG21 ILE A 170       4.954  -1.708  -2.372  1.00  5.25           H  
-ATOM     43 HG22 ILE A 170       6.379  -2.609  -2.887  1.00 13.11           H  
-ATOM     44 HG23 ILE A 170       6.474  -1.532  -1.494  1.00 24.35           H  
-ATOM     45 HD11 ILE A 170       3.668  -0.635  -5.440  1.00  1.31           H  
-ATOM     46 HD12 ILE A 170       5.300  -0.739  -6.101  1.00  2.35           H  
-ATOM     47 HD13 ILE A 170       4.760  -1.908  -4.898  1.00 34.25           H  
-ATOM     48  N   ARG A 171       8.065   2.766  -3.054  1.00  2.24           N  
-ATOM     49  CA  ARG A 171       8.695   3.793  -3.875  1.00 71.21           C  
-ATOM     50  C   ARG A 171       9.718   4.584  -3.065  1.00 25.31           C  
-ATOM     51  O   ARG A 171       9.561   4.773  -1.860  1.00 62.51           O  
-ATOM     52  CB  ARG A 171       7.637   4.741  -4.444  1.00 31.43           C  
-ATOM     53  CG  ARG A 171       6.852   4.151  -5.604  1.00 11.13           C  
-ATOM     54  CD  ARG A 171       6.254   5.239  -6.482  1.00 72.21           C  
-ATOM     55  NE  ARG A 171       7.236   5.793  -7.411  1.00 73.31           N  
-ATOM     56  CZ  ARG A 171       6.918   6.585  -8.429  1.00 62.32           C  
-ATOM     57  NH1 ARG A 171       5.652   6.914  -8.648  1.00 72.10           N  
-ATOM     58  NH2 ARG A 171       7.868   7.050  -9.231  1.00 74.23           N  
-ATOM     59  H   ARG A 171       7.852   2.966  -2.119  1.00 31.43           H  
-ATOM     60  HA  ARG A 171       9.202   3.301  -4.691  1.00 55.32           H  
-ATOM     61  HB2 ARG A 171       6.940   4.997  -3.659  1.00 22.43           H  
-ATOM     62  HB3 ARG A 171       8.125   5.641  -4.788  1.00 22.50           H  
-ATOM     63  HG2 ARG A 171       7.514   3.543  -6.203  1.00 44.40           H  
-ATOM     64  HG3 ARG A 171       6.055   3.538  -5.211  1.00 34.30           H  
-ATOM     65  HD2 ARG A 171       5.435   4.818  -7.046  1.00 43.05           H  
-ATOM     66  HD3 ARG A 171       5.884   6.032  -5.849  1.00 33.40           H  
-ATOM     67  HE  ARG A 171       8.177   5.563  -7.267  1.00 72.34           H  
-ATOM     68 HH11 ARG A 171       4.935   6.566  -8.045  1.00 14.20           H  
-ATOM     69 HH12 ARG A 171       5.416   7.511  -9.415  1.00 21.33           H  
-ATOM     70 HH21 ARG A 171       8.823   6.804  -9.069  1.00 70.31           H  
-ATOM     71 HH22 ARG A 171       7.627   7.645  -9.998  1.00 23.43           H  
-ATOM     72  N   GLY A 172      10.770   5.044  -3.738  1.00 72.52           N  
-ATOM     73  CA  GLY A 172      11.805   5.807  -3.065  1.00 62.31           C  
-ATOM     74  C   GLY A 172      13.154   5.678  -3.743  1.00 73.35           C  
-ATOM     75  O   GLY A 172      13.378   4.752  -4.525  1.00  3.05           O  
-ATOM     76  H   GLY A 172      10.843   4.863  -4.698  1.00 52.03           H  
-ATOM     77  HA2 GLY A 172      11.518   6.848  -3.052  1.00 21.30           H  
-ATOM     78  HA3 GLY A 172      11.891   5.455  -2.048  1.00 23.24           H  
-ATOM     79  N   LEU A 173      14.054   6.608  -3.448  1.00 45.52           N  
-ATOM     80  CA  LEU A 173      15.389   6.596  -4.038  1.00  5.32           C  
-ATOM     81  C   LEU A 173      16.460   6.467  -2.959  1.00 72.20           C  
-ATOM     82  O   LEU A 173      17.351   7.307  -2.851  1.00 42.22           O  
-ATOM     83  CB  LEU A 173      15.620   7.871  -4.851  1.00  2.34           C  
-ATOM     84  CG  LEU A 173      14.700   8.075  -6.055  1.00 44.44           C  
-ATOM     85  CD1 LEU A 173      14.477   9.558  -6.311  1.00 34.42           C  
-ATOM     86  CD2 LEU A 173      15.282   7.401  -7.289  1.00 41.43           C  
-ATOM     87  H   LEU A 173      13.818   7.320  -2.819  1.00 21.13           H  
-ATOM     88  HA  LEU A 173      15.453   5.743  -4.696  1.00 12.23           H  
-ATOM     89  HB2 LEU A 173      15.489   8.713  -4.189  1.00 41.20           H  
-ATOM     90  HB3 LEU A 173      16.639   7.853  -5.210  1.00 41.11           H  
-ATOM     91  HG  LEU A 173      13.740   7.623  -5.847  1.00 13.41           H  
-ATOM     92 HD11 LEU A 173      13.783   9.948  -5.581  1.00 72.14           H  
-ATOM     93 HD12 LEU A 173      14.070   9.694  -7.302  1.00 43.52           H  
-ATOM     94 HD13 LEU A 173      15.417  10.082  -6.232  1.00 50.13           H  
-ATOM     95 HD21 LEU A 173      15.234   8.082  -8.127  1.00  3.32           H  
-ATOM     96 HD22 LEU A 173      14.711   6.512  -7.517  1.00  1.04           H  
-ATOM     97 HD23 LEU A 173      16.310   7.131  -7.102  1.00 34.15           H  
-ATOM     98  N   MET A 174      16.366   5.406  -2.164  1.00  2.03           N  
-ATOM     99  CA  MET A 174      17.330   5.163  -1.097  1.00 53.21           C  
-ATOM    100  C   MET A 174      18.686   4.766  -1.670  1.00  4.34           C  
-ATOM    101  O   MET A 174      18.863   4.811  -2.887  1.00 13.14           O  
-ATOM    102  CB  MET A 174      16.820   4.068  -0.159  1.00 34.23           C  
-ATOM    103  CG  MET A 174      15.633   4.498   0.690  1.00 64.54           C  
-ATOM    104  SD  MET A 174      14.105   3.663   0.221  1.00  4.02           S  
-ATOM    105  CE  MET A 174      13.011   4.197   1.535  1.00  2.21           C  
-ATOM    106  H   MET A 174      15.632   4.770  -2.298  1.00 32.33           H  
-ATOM    107  HA  MET A 174      17.442   6.080  -0.537  1.00 71.52           H  
-ATOM    108  HB2 MET A 174      16.521   3.215  -0.749  1.00 71.41           H  
-ATOM    109  HB3 MET A 174      17.620   3.776   0.504  1.00 72.42           H  
-ATOM    110  HG2 MET A 174      15.846   4.273   1.724  1.00  5.03           H  
-ATOM    111  HG3 MET A 174      15.495   5.563   0.575  1.00 22.24           H  
-ATOM    112  HE1 MET A 174      13.173   3.585   2.410  1.00 64.02           H  
-ATOM    113  HE2 MET A 174      13.215   5.230   1.774  1.00 32.25           H  
-ATOM    114  HE3 MET A 174      11.985   4.097   1.211  1.00  2.41           H  
-ATOM    115  N   CYS A 175      19.606   4.392  -0.792  1.00 52.12           N  
-ATOM    116  CA  CYS A 175      20.934   3.993  -1.224  1.00  3.10           C  
-ATOM    117  C   CYS A 175      20.842   2.592  -1.830  1.00 32.34           C  
-ATOM    118  O   CYS A 175      19.889   1.843  -1.604  1.00  2.13           O  
-ATOM    119  CB  CYS A 175      21.945   4.053  -0.076  1.00 55.42           C  
-ATOM    120  SG  CYS A 175      23.551   4.679  -0.688  1.00 24.43           S  
-ATOM    121  H   CYS A 175      19.455   4.359   0.196  1.00 31.40           H  
-ATOM    122  HA  CYS A 175      21.252   4.719  -1.973  1.00 55.22           H  
-ATOM    123  HB2 CYS A 175      21.570   4.703   0.716  1.00 60.45           H  
-ATOM    124  HB3 CYS A 175      22.073   3.062   0.359  1.00 14.32           H  
-ATOM    125  N   LEU A 176      21.860   2.249  -2.611  1.00 24.24           N  
-ATOM    126  CA  LEU A 176      21.920   0.946  -3.263  1.00 23.31           C  
-ATOM    127  C   LEU A 176      22.261  -0.151  -2.259  1.00  1.21           C  
-ATOM    128  O   LEU A 176      21.607  -1.192  -2.217  1.00 31.41           O  
-ATOM    129  CB  LEU A 176      22.956   0.963  -4.388  1.00 20.41           C  
-ATOM    130  CG  LEU A 176      22.408   0.818  -5.808  1.00 51.03           C  
-ATOM    131  CD1 LEU A 176      21.697   2.092  -6.238  1.00 44.24           C  
-ATOM    132  CD2 LEU A 176      23.528   0.475  -6.779  1.00 61.04           C  
-ATOM    133  H   LEU A 176      22.590   2.887  -2.753  1.00 60.25           H  
-ATOM    134  HA  LEU A 176      20.947   0.741  -3.684  1.00 74.03           H  
-ATOM    135  HB2 LEU A 176      23.488   1.901  -4.333  1.00 72.23           H  
-ATOM    136  HB3 LEU A 176      23.646   0.149  -4.213  1.00 44.15           H  
-ATOM    137  HG  LEU A 176      21.688   0.012  -5.828  1.00 72.54           H  
-ATOM    138 HD11 LEU A 176      20.630   1.938  -6.205  1.00 31.41           H  
-ATOM    139 HD12 LEU A 176      21.993   2.346  -7.246  1.00 71.13           H  
-ATOM    140 HD13 LEU A 176      21.966   2.897  -5.571  1.00 22.20           H  
-ATOM    141 HD21 LEU A 176      23.972   1.386  -7.153  1.00 14.40           H  
-ATOM    142 HD22 LEU A 176      23.126  -0.094  -7.605  1.00 51.32           H  
-ATOM    143 HD23 LEU A 176      24.279  -0.109  -6.271  1.00 64.51           H  
-ATOM    144  N   GLU A 177      23.288   0.093  -1.451  1.00  2.35           N  
-ATOM    145  CA  GLU A 177      23.714  -0.874  -0.446  1.00 51.21           C  
-ATOM    146  C   GLU A 177      22.886  -0.735   0.829  1.00  2.51           C  
-ATOM    147  O   GLU A 177      22.578  -1.724   1.493  1.00 73.55           O  
-ATOM    148  CB  GLU A 177      25.199  -0.688  -0.125  1.00 62.51           C  
-ATOM    149  CG  GLU A 177      25.988  -1.987  -0.120  1.00 75.15           C  
-ATOM    150  CD  GLU A 177      26.301  -2.485  -1.518  1.00 72.20           C  
-ATOM    151  OE1 GLU A 177      25.582  -2.097  -2.462  1.00 14.35           O  
-ATOM    152  OE2 GLU A 177      27.267  -3.263  -1.668  1.00 12.45           O  
-ATOM    153  H   GLU A 177      23.771   0.941  -1.533  1.00 13.52           H  
-ATOM    154  HA  GLU A 177      23.564  -1.863  -0.852  1.00  2.23           H  
-ATOM    155  HB2 GLU A 177      25.634  -0.030  -0.861  1.00 40.34           H  
-ATOM    156  HB3 GLU A 177      25.289  -0.234   0.850  1.00  1.11           H  
-ATOM    157  HG2 GLU A 177      26.916  -1.827   0.406  1.00 63.35           H  
-ATOM    158  HG3 GLU A 177      25.410  -2.742   0.394  1.00 74.12           H  
-ATOM    159  N   HIS A 178      22.530   0.501   1.164  1.00  3.14           N  
-ATOM    160  CA  HIS A 178      21.739   0.771   2.359  1.00  4.13           C  
-ATOM    161  C   HIS A 178      20.252   0.830   2.025  1.00 43.43           C  
-ATOM    162  O   HIS A 178      19.773   1.812   1.458  1.00  4.50           O  
-ATOM    163  CB  HIS A 178      22.182   2.085   3.003  1.00 11.32           C  
-ATOM    164  CG  HIS A 178      23.652   2.149   3.285  1.00 55.03           C  
-ATOM    165  ND1 HIS A 178      24.543   2.826   2.480  1.00 63.33           N  
-ATOM    166  CD2 HIS A 178      24.384   1.618   4.291  1.00 33.44           C  
-ATOM    167  CE1 HIS A 178      25.762   2.705   2.978  1.00 53.34           C  
-ATOM    168  NE2 HIS A 178      25.692   1.978   4.078  1.00 60.31           N  
-ATOM    169  H   HIS A 178      22.806   1.249   0.594  1.00 13.50           H  
-ATOM    170  HA  HIS A 178      21.907  -0.035   3.057  1.00 52.10           H  
-ATOM    171  HB2 HIS A 178      21.936   2.904   2.343  1.00 73.32           H  
-ATOM    172  HB3 HIS A 178      21.658   2.215   3.940  1.00 75.03           H  
-ATOM    173  HD2 HIS A 178      24.010   1.021   5.112  1.00 54.02           H  
-ATOM    174  HE1 HIS A 178      26.661   3.130   2.558  1.00 52.41           H  
-ATOM    175  N   GLU A 179      19.528  -0.226   2.380  1.00 51.23           N  
-ATOM    176  CA  GLU A 179      18.095  -0.294   2.115  1.00  5.02           C  
-ATOM    177  C   GLU A 179      17.306   0.425   3.205  1.00  1.42           C  
-ATOM    178  O   GLU A 179      16.253   1.006   2.943  1.00 41.23           O  
-ATOM    179  CB  GLU A 179      17.640  -1.751   2.018  1.00 62.20           C  
-ATOM    180  CG  GLU A 179      18.035  -2.594   3.219  1.00 20.14           C  
-ATOM    181  CD  GLU A 179      16.843  -3.246   3.892  1.00 42.51           C  
-ATOM    182  OE1 GLU A 179      16.252  -4.166   3.289  1.00 65.23           O  
-ATOM    183  OE2 GLU A 179      16.500  -2.835   5.020  1.00 24.33           O  
-ATOM    184  H   GLU A 179      19.967  -0.978   2.830  1.00 43.10           H  
-ATOM    185  HA  GLU A 179      17.909   0.195   1.170  1.00 43.10           H  
-ATOM    186  HB2 GLU A 179      16.565  -1.775   1.924  1.00 31.24           H  
-ATOM    187  HB3 GLU A 179      18.079  -2.194   1.135  1.00 70.40           H  
-ATOM    188  HG2 GLU A 179      18.713  -3.368   2.893  1.00 72.34           H  
-ATOM    189  HG3 GLU A 179      18.534  -1.961   3.938  1.00 71.14           H  
-ATOM    190  N   ASP A 180      17.822   0.381   4.428  1.00 60.21           N  
-ATOM    191  CA  ASP A 180      17.166   1.027   5.558  1.00  5.41           C  
-ATOM    192  C   ASP A 180      17.736   2.424   5.791  1.00 30.41           C  
-ATOM    193  O   ASP A 180      17.844   2.878   6.930  1.00 62.01           O  
-ATOM    194  CB  ASP A 180      17.328   0.181   6.821  1.00 24.22           C  
-ATOM    195  CG  ASP A 180      16.254   0.468   7.852  1.00 30.42           C  
-ATOM    196  OD1 ASP A 180      15.359   1.290   7.564  1.00 41.42           O  
-ATOM    197  OD2 ASP A 180      16.307  -0.131   8.946  1.00 22.11           O  
-ATOM    198  H   ASP A 180      18.665  -0.098   4.573  1.00  2.42           H  
-ATOM    199  HA  ASP A 180      16.116   1.116   5.327  1.00 20.51           H  
-ATOM    200  HB2 ASP A 180      17.275  -0.865   6.556  1.00 42.41           H  
-ATOM    201  HB3 ASP A 180      18.292   0.387   7.265  1.00 54.01           H  
-ATOM    202  N   GLU A 181      18.100   3.097   4.704  1.00  3.32           N  
-ATOM    203  CA  GLU A 181      18.661   4.441   4.791  1.00 14.50           C  
-ATOM    204  C   GLU A 181      18.442   5.207   3.490  1.00 53.02           C  
-ATOM    205  O   GLU A 181      19.005   4.862   2.451  1.00  5.44           O  
-ATOM    206  CB  GLU A 181      20.155   4.374   5.112  1.00 43.14           C  
-ATOM    207  CG  GLU A 181      20.514   4.959   6.468  1.00 62.35           C  
-ATOM    208  CD  GLU A 181      21.420   6.169   6.360  1.00 53.23           C  
-ATOM    209  OE1 GLU A 181      21.323   6.895   5.348  1.00 63.42           O  
-ATOM    210  OE2 GLU A 181      22.226   6.392   7.288  1.00 40.44           O  
-ATOM    211  H   GLU A 181      17.989   2.682   3.824  1.00 61.23           H  
-ATOM    212  HA  GLU A 181      18.154   4.961   5.590  1.00 35.12           H  
-ATOM    213  HB2 GLU A 181      20.469   3.341   5.094  1.00 51.34           H  
-ATOM    214  HB3 GLU A 181      20.697   4.919   4.353  1.00  3.25           H  
-ATOM    215  HG2 GLU A 181      19.605   5.252   6.971  1.00 55.25           H  
-ATOM    216  HG3 GLU A 181      21.018   4.201   7.050  1.00 14.52           H  
-ATOM    217  N   LYS A 182      17.618   6.248   3.554  1.00  4.22           N  
-ATOM    218  CA  LYS A 182      17.324   7.065   2.383  1.00  2.23           C  
-ATOM    219  C   LYS A 182      18.486   8.000   2.065  1.00 31.01           C  
-ATOM    220  O   LYS A 182      19.254   8.376   2.951  1.00 13.32           O  
-ATOM    221  CB  LYS A 182      16.048   7.879   2.611  1.00 61.45           C  
-ATOM    222  CG  LYS A 182      16.073   8.704   3.885  1.00 54.33           C  
-ATOM    223  CD  LYS A 182      15.727  10.159   3.614  1.00 74.04           C  
-ATOM    224  CE  LYS A 182      16.342  11.082   4.654  1.00 72.12           C  
-ATOM    225  NZ  LYS A 182      15.344  12.038   5.207  1.00 12.40           N  
-ATOM    226  H   LYS A 182      17.200   6.474   4.412  1.00 31.52           H  
-ATOM    227  HA  LYS A 182      17.173   6.401   1.546  1.00 54.04           H  
-ATOM    228  HB2 LYS A 182      15.908   8.548   1.775  1.00  1.44           H  
-ATOM    229  HB3 LYS A 182      15.208   7.200   2.663  1.00 54.44           H  
-ATOM    230  HG2 LYS A 182      15.354   8.299   4.581  1.00 71.42           H  
-ATOM    231  HG3 LYS A 182      17.062   8.654   4.317  1.00 64.04           H  
-ATOM    232  HD2 LYS A 182      16.101  10.434   2.638  1.00 31.22           H  
-ATOM    233  HD3 LYS A 182      14.652  10.273   3.633  1.00  2.52           H  
-ATOM    234  HE2 LYS A 182      16.738  10.482   5.459  1.00 12.14           H  
-ATOM    235  HE3 LYS A 182      17.144  11.639   4.193  1.00 71.45           H  
-ATOM    236  HZ1 LYS A 182      15.801  12.947   5.424  1.00  2.31           H  
-ATOM    237  HZ2 LYS A 182      14.927  11.656   6.079  1.00 61.32           H  
-ATOM    238  HZ3 LYS A 182      14.584  12.202   4.516  1.00 72.21           H  
-ATOM    239  N   VAL A 183      18.609   8.374   0.796  1.00 41.33           N  
-ATOM    240  CA  VAL A 183      19.675   9.268   0.362  1.00  5.11           C  
-ATOM    241  C   VAL A 183      19.691  10.548   1.191  1.00 41.14           C  
-ATOM    242  O   VAL A 183      18.812  10.770   2.024  1.00 44.12           O  
-ATOM    243  CB  VAL A 183      19.530   9.636  -1.126  1.00 61.14           C  
-ATOM    244  CG1 VAL A 183      19.865   8.441  -2.007  1.00 44.41           C  
-ATOM    245  CG2 VAL A 183      18.125  10.143  -1.415  1.00 33.13           C  
-ATOM    246  H   VAL A 183      17.967   8.041   0.135  1.00 21.52           H  
-ATOM    247  HA  VAL A 183      20.617   8.755   0.493  1.00 20.42           H  
-ATOM    248  HB  VAL A 183      20.229  10.428  -1.352  1.00 30.42           H  
-ATOM    249 HG11 VAL A 183      20.938   8.361  -2.112  1.00 13.33           H  
-ATOM    250 HG12 VAL A 183      19.478   7.540  -1.554  1.00  3.54           H  
-ATOM    251 HG13 VAL A 183      19.418   8.576  -2.981  1.00 21.03           H  
-ATOM    252 HG21 VAL A 183      17.521   9.332  -1.793  1.00 72.40           H  
-ATOM    253 HG22 VAL A 183      17.685  10.524  -0.504  1.00 44.33           H  
-ATOM    254 HG23 VAL A 183      18.169  10.932  -2.150  1.00 25.51           H  
-ATOM    255  N   ASN A 184      20.694  11.387   0.956  1.00  3.30           N  
-ATOM    256  CA  ASN A 184      20.823  12.646   1.680  1.00  4.12           C  
-ATOM    257  C   ASN A 184      21.105  13.799   0.722  1.00 53.54           C  
-ATOM    258  O   ASN A 184      20.560  14.892   0.873  1.00 60.22           O  
-ATOM    259  CB  ASN A 184      21.942  12.548   2.720  1.00 51.14           C  
-ATOM    260  CG  ASN A 184      22.033  13.786   3.591  1.00 73.40           C  
-ATOM    261  OD1 ASN A 184      21.222  14.704   3.470  1.00 13.42           O  
-ATOM    262  ND2 ASN A 184      23.023  13.816   4.475  1.00 52.34           N  
-ATOM    263  H   ASN A 184      21.364  11.154   0.279  1.00  2.02           H  
-ATOM    264  HA  ASN A 184      19.889  12.834   2.188  1.00 71.24           H  
-ATOM    265  HB2 ASN A 184      21.759  11.695   3.358  1.00 61.03           H  
-ATOM    266  HB3 ASN A 184      22.886  12.416   2.213  1.00 44.32           H  
-ATOM    267 HD21 ASN A 184      23.632  13.049   4.515  1.00 72.20           H  
-ATOM    268 HD22 ASN A 184      23.105  14.604   5.051  1.00 13.12           H  
-ATOM    269  N   MET A 185      21.958  13.547  -0.265  1.00 35.31           N  
-ATOM    270  CA  MET A 185      22.310  14.563  -1.249  1.00 72.14           C  
-ATOM    271  C   MET A 185      22.975  13.932  -2.469  1.00  2.10           C  
-ATOM    272  O   MET A 185      22.992  12.710  -2.616  1.00 31.31           O  
-ATOM    273  CB  MET A 185      23.242  15.605  -0.627  1.00 40.14           C  
-ATOM    274  CG  MET A 185      22.740  17.033  -0.770  1.00 61.42           C  
-ATOM    275  SD  MET A 185      22.998  18.012   0.722  1.00 71.05           S  
-ATOM    276  CE  MET A 185      21.557  17.552   1.681  1.00 41.30           C  
-ATOM    277  H   MET A 185      22.360  12.656  -0.334  1.00 61.33           H  
-ATOM    278  HA  MET A 185      21.399  15.051  -1.563  1.00 23.33           H  
-ATOM    279  HB2 MET A 185      23.353  15.389   0.425  1.00 43.01           H  
-ATOM    280  HB3 MET A 185      24.209  15.537  -1.104  1.00 71.02           H  
-ATOM    281  HG2 MET A 185      23.264  17.504  -1.588  1.00 44.30           H  
-ATOM    282  HG3 MET A 185      21.684  17.007  -0.990  1.00 74.21           H  
-ATOM    283  HE1 MET A 185      20.771  17.226   1.017  1.00 51.14           H  
-ATOM    284  HE2 MET A 185      21.816  16.749   2.355  1.00 73.43           H  
-ATOM    285  HE3 MET A 185      21.218  18.404   2.251  1.00 12.33           H  
-ATOM    286  N   TYR A 186      23.522  14.773  -3.340  1.00 73.05           N  
-ATOM    287  CA  TYR A 186      24.186  14.297  -4.547  1.00 75.25           C  
-ATOM    288  C   TYR A 186      25.651  14.722  -4.567  1.00 20.23           C  
-ATOM    289  O   TYR A 186      25.935  15.914  -4.470  1.00 11.34           O  
-ATOM    290  CB  TYR A 186      23.472  14.831  -5.791  1.00 62.22           C  
-ATOM    291  CG  TYR A 186      24.351  14.877  -7.020  1.00 44.15           C  
-ATOM    292  CD1 TYR A 186      24.711  13.711  -7.686  1.00 55.21           C  
-ATOM    293  CD2 TYR A 186      24.824  16.086  -7.516  1.00  4.31           C  
-ATOM    294  CE1 TYR A 186      25.514  13.749  -8.809  1.00 64.41           C  
-ATOM    295  CE2 TYR A 186      25.627  16.133  -8.638  1.00 50.33           C  
-ATOM    296  CZ  TYR A 186      25.969  14.962  -9.282  1.00 63.51           C  
-ATOM    297  OH  TYR A 186      26.771  15.005 -10.400  1.00 74.42           O  
-ATOM    298  H   TYR A 186      23.476  15.737  -3.168  1.00 71.34           H  
-ATOM    299  HA  TYR A 186      24.135  13.218  -4.551  1.00 75.13           H  
-ATOM    300  HB2 TYR A 186      22.627  14.198  -6.013  1.00 60.11           H  
-ATOM    301  HB3 TYR A 186      23.123  15.834  -5.595  1.00 61.11           H  
-ATOM    302  HD1 TYR A 186      24.353  12.763  -7.314  1.00 34.14           H  
-ATOM    303  HD2 TYR A 186      24.555  17.001  -7.009  1.00 14.22           H  
-ATOM    304  HE1 TYR A 186      25.782  12.832  -9.313  1.00 45.10           H  
-ATOM    305  HE2 TYR A 186      25.985  17.083  -9.009  1.00 55.32           H  
-ATOM    306  HH  TYR A 186      26.597  15.813 -10.887  1.00  1.12           H  
-ATOM    307  N   CYS A 187      26.540  13.746  -4.691  1.00 55.33           N  
-ATOM    308  CA  CYS A 187      27.964  14.030  -4.723  1.00 15.34           C  
-ATOM    309  C   CYS A 187      28.332  14.488  -6.135  1.00 54.02           C  
-ATOM    310  O   CYS A 187      28.352  13.711  -7.089  1.00 24.52           O  
-ATOM    311  CB  CYS A 187      28.791  12.822  -4.281  1.00  3.12           C  
-ATOM    312  SG  CYS A 187      29.602  13.171  -2.678  1.00  2.34           S  
-ATOM    313  H   CYS A 187      26.300  12.778  -4.770  1.00 52.42           H  
-ATOM    314  HA  CYS A 187      28.140  14.827  -4.000  1.00  1.13           H  
-ATOM    315  HB2 CYS A 187      28.150  11.945  -4.189  1.00 44.33           H  
-ATOM    316  HB3 CYS A 187      29.543  12.591  -5.035  1.00 44.03           H  
-ATOM    317  N   VAL A 188      28.622  15.780  -6.249  1.00  3.42           N  
-ATOM    318  CA  VAL A 188      28.994  16.370  -7.530  1.00 60.00           C  
-ATOM    319  C   VAL A 188      30.409  15.966  -7.931  1.00 52.33           C  
-ATOM    320  O   VAL A 188      30.742  15.923  -9.116  1.00 71.12           O  
-ATOM    321  CB  VAL A 188      28.904  17.907  -7.487  1.00 32.22           C  
-ATOM    322  CG1 VAL A 188      29.302  18.503  -8.828  1.00 42.13           C  
-ATOM    323  CG2 VAL A 188      27.501  18.347  -7.094  1.00 51.55           C  
-ATOM    324  H   VAL A 188      28.587  16.351  -5.453  1.00 24.44           H  
-ATOM    325  HA  VAL A 188      28.302  16.010  -8.277  1.00 41.50           H  
-ATOM    326  HB  VAL A 188      29.594  18.268  -6.739  1.00 33.33           H  
-ATOM    327 HG11 VAL A 188      30.358  18.731  -8.822  1.00 13.31           H  
-ATOM    328 HG12 VAL A 188      29.090  17.793  -9.615  1.00  2.11           H  
-ATOM    329 HG13 VAL A 188      28.740  19.410  -9.000  1.00 61.13           H  
-ATOM    330 HG21 VAL A 188      26.933  17.488  -6.772  1.00 74.24           H  
-ATOM    331 HG22 VAL A 188      27.561  19.063  -6.287  1.00 31.42           H  
-ATOM    332 HG23 VAL A 188      27.016  18.803  -7.944  1.00 14.22           H  
-ATOM    333  N   THR A 189      31.239  15.671  -6.936  1.00 33.53           N  
-ATOM    334  CA  THR A 189      32.618  15.272  -7.184  1.00  0.41           C  
-ATOM    335  C   THR A 189      32.681  13.986  -8.000  1.00 12.03           C  
-ATOM    336  O   THR A 189      33.289  13.948  -9.070  1.00  2.23           O  
-ATOM    337  CB  THR A 189      33.391  15.069  -5.867  1.00 13.23           C  
-ATOM    338  OG1 THR A 189      32.498  14.619  -4.841  1.00 23.23           O  
-ATOM    339  CG2 THR A 189      34.064  16.361  -5.428  1.00 75.33           C  
-ATOM    340  H   THR A 189      30.914  15.723  -6.013  1.00  4.32           H  
-ATOM    341  HA  THR A 189      33.099  16.065  -7.740  1.00 23.41           H  
-ATOM    342  HB  THR A 189      34.152  14.319  -6.025  1.00 13.02           H  
-ATOM    343  HG1 THR A 189      32.370  13.670  -4.921  1.00 60.21           H  
-ATOM    344 HG21 THR A 189      34.040  16.432  -4.351  1.00 51.32           H  
-ATOM    345 HG22 THR A 189      33.539  17.202  -5.856  1.00  1.53           H  
-ATOM    346 HG23 THR A 189      35.089  16.365  -5.767  1.00 12.11           H  
-ATOM    347  N   ASP A 190      32.049  12.936  -7.489  1.00 55.21           N  
-ATOM    348  CA  ASP A 190      32.031  11.648  -8.172  1.00 31.43           C  
-ATOM    349  C   ASP A 190      30.836  11.550  -9.116  1.00 43.13           C  
-ATOM    350  O   ASP A 190      30.764  10.646  -9.950  1.00 22.44           O  
-ATOM    351  CB  ASP A 190      31.987  10.507  -7.154  1.00 32.43           C  
-ATOM    352  CG  ASP A 190      32.761  10.829  -5.891  1.00 34.34           C  
-ATOM    353  OD1 ASP A 190      32.162  11.407  -4.959  1.00 23.40           O  
-ATOM    354  OD2 ASP A 190      33.965  10.501  -5.832  1.00 55.05           O  
-ATOM    355  H   ASP A 190      31.582  13.029  -6.632  1.00  4.15           H  
-ATOM    356  HA  ASP A 190      32.939  11.567  -8.751  1.00 21.52           H  
-ATOM    357  HB2 ASP A 190      30.959  10.313  -6.885  1.00 31.34           H  
-ATOM    358  HB3 ASP A 190      32.411   9.619  -7.599  1.00 45.02           H  
-ATOM    359  N   ASP A 191      29.903  12.485  -8.980  1.00 22.52           N  
-ATOM    360  CA  ASP A 191      28.712  12.503  -9.820  1.00 52.30           C  
-ATOM    361  C   ASP A 191      27.852  11.268  -9.573  1.00 21.40           C  
-ATOM    362  O   ASP A 191      27.586  10.493 -10.491  1.00 34.21           O  
-ATOM    363  CB  ASP A 191      29.105  12.580 -11.297  1.00 34.21           C  
-ATOM    364  CG  ASP A 191      28.005  13.170 -12.158  1.00 41.23           C  
-ATOM    365  OD1 ASP A 191      26.900  12.589 -12.189  1.00 43.35           O  
-ATOM    366  OD2 ASP A 191      28.250  14.212 -12.803  1.00 23.15           O  
-ATOM    367  H   ASP A 191      30.018  13.179  -8.297  1.00 43.20           H  
-ATOM    368  HA  ASP A 191      28.139  13.382  -9.564  1.00 34.14           H  
-ATOM    369  HB2 ASP A 191      29.986  13.198 -11.396  1.00 75.31           H  
-ATOM    370  HB3 ASP A 191      29.325  11.586 -11.656  1.00  0.33           H  
-ATOM    371  N   GLN A 192      27.423  11.091  -8.328  1.00 14.24           N  
-ATOM    372  CA  GLN A 192      26.595   9.949  -7.961  1.00 73.51           C  
-ATOM    373  C   GLN A 192      25.893  10.191  -6.628  1.00 62.25           C  
-ATOM    374  O   GLN A 192      26.537  10.472  -5.617  1.00 42.40           O  
-ATOM    375  CB  GLN A 192      27.446   8.680  -7.880  1.00  1.34           C  
-ATOM    376  CG  GLN A 192      26.757   7.448  -8.444  1.00  3.40           C  
-ATOM    377  CD  GLN A 192      27.688   6.592  -9.280  1.00 32.31           C  
-ATOM    378  OE1 GLN A 192      27.926   6.877 -10.454  1.00 41.24           O  
-ATOM    379  NE2 GLN A 192      28.219   5.534  -8.679  1.00 22.22           N  
-ATOM    380  H   GLN A 192      27.669  11.744  -7.640  1.00 54.21           H  
-ATOM    381  HA  GLN A 192      25.847   9.821  -8.729  1.00 21.44           H  
-ATOM    382  HB2 GLN A 192      28.361   8.840  -8.430  1.00 71.12           H  
-ATOM    383  HB3 GLN A 192      27.686   8.489  -6.845  1.00 22.23           H  
-ATOM    384  HG2 GLN A 192      26.384   6.852  -7.625  1.00 23.14           H  
-ATOM    385  HG3 GLN A 192      25.931   7.766  -9.062  1.00 70.14           H  
-ATOM    386 HE21 GLN A 192      27.983   5.367  -7.742  1.00 73.11           H  
-ATOM    387 HE22 GLN A 192      28.823   4.963  -9.196  1.00 63.31           H  
-ATOM    388  N   LEU A 193      24.570  10.079  -6.634  1.00 34.42           N  
-ATOM    389  CA  LEU A 193      23.779  10.286  -5.425  1.00 61.13           C  
-ATOM    390  C   LEU A 193      24.297   9.420  -4.281  1.00 42.52           C  
-ATOM    391  O   LEU A 193      24.824   8.330  -4.503  1.00 55.14           O  
-ATOM    392  CB  LEU A 193      22.307   9.968  -5.694  1.00 73.31           C  
-ATOM    393  CG  LEU A 193      21.302  11.046  -5.286  1.00 60.20           C  
-ATOM    394  CD1 LEU A 193      20.098  11.031  -6.215  1.00 53.41           C  
-ATOM    395  CD2 LEU A 193      20.866  10.849  -3.841  1.00 53.14           C  
-ATOM    396  H   LEU A 193      24.112   9.851  -7.469  1.00 51.32           H  
-ATOM    397  HA  LEU A 193      23.869  11.325  -5.145  1.00 23.25           H  
-ATOM    398  HB2 LEU A 193      22.194   9.795  -6.753  1.00 62.54           H  
-ATOM    399  HB3 LEU A 193      22.061   9.063  -5.155  1.00  1.14           H  
-ATOM    400  HG  LEU A 193      21.772  12.016  -5.365  1.00  1.24           H  
-ATOM    401 HD11 LEU A 193      19.834  10.011  -6.447  1.00 50.21           H  
-ATOM    402 HD12 LEU A 193      20.341  11.557  -7.127  1.00 12.23           H  
-ATOM    403 HD13 LEU A 193      19.264  11.519  -5.730  1.00 73.33           H  
-ATOM    404 HD21 LEU A 193      20.915  11.793  -3.319  1.00 50.23           H  
-ATOM    405 HD22 LEU A 193      21.523  10.138  -3.360  1.00 73.15           H  
-ATOM    406 HD23 LEU A 193      19.852  10.476  -3.819  1.00  1.54           H  
-ATOM    407  N   ILE A 194      24.143   9.914  -3.057  1.00 23.52           N  
-ATOM    408  CA  ILE A 194      24.593   9.185  -1.878  1.00 12.03           C  
-ATOM    409  C   ILE A 194      23.695   9.469  -0.678  1.00 52.34           C  
-ATOM    410  O   ILE A 194      22.729  10.219  -0.814  1.00 55.23           O  
-ATOM    411  CB  ILE A 194      26.045   9.545  -1.513  1.00 42.13           C  
-ATOM    412  CG1 ILE A 194      26.178  11.052  -1.285  1.00 10.12           C  
-ATOM    413  CG2 ILE A 194      26.996   9.084  -2.609  1.00 34.52           C  
-ATOM    414  CD1 ILE A 194      25.930  11.470   0.147  1.00 22.33           C  
-ATOM    415  H   ILE A 194      23.715  10.788  -2.944  1.00  1.42           H  
-ATOM    416  HA  ILE A 194      24.551   8.129  -2.103  1.00 71.11           H  
-ATOM    417  HB  ILE A 194      26.304   9.025  -0.604  1.00 13.42           H  
-ATOM    418 HG12 ILE A 194      27.176  11.364  -1.553  1.00 54.22           H  
-ATOM    419 HG13 ILE A 194      25.464  11.567  -1.910  1.00 55.14           H  
-ATOM    420 HG21 ILE A 194      26.686   9.503  -3.554  1.00 22.24           H  
-ATOM    421 HG22 ILE A 194      27.997   9.416  -2.379  1.00  1.33           H  
-ATOM    422 HG23 ILE A 194      26.979   8.006  -2.670  1.00 64.40           H  
-ATOM    423 HD11 ILE A 194      26.273  12.484   0.291  1.00 23.22           H  
-ATOM    424 HD12 ILE A 194      24.874  11.412   0.361  1.00 10.45           H  
-ATOM    425 HD13 ILE A 194      26.468  10.811   0.814  1.00 65.25           H  
-ATOM    426  N   CYS A 195      24.029   8.873   0.456  1.00 12.42           N  
-ATOM    427  CA  CYS A 195      23.246   9.073   1.665  1.00  4.10           C  
-ATOM    428  C   CYS A 195      24.187   9.547   2.774  1.00 41.52           C  
-ATOM    429  O   CYS A 195      25.376   9.787   2.563  1.00 14.01           O  
-ATOM    430  CB  CYS A 195      22.487   7.805   2.063  1.00 44.13           C  
-ATOM    431  SG  CYS A 195      23.664   6.529   2.643  1.00 23.25           S  
-ATOM    432  H   CYS A 195      24.815   8.266   0.558  1.00  4.15           H  
-ATOM    433  HA  CYS A 195      22.503   9.836   1.434  1.00 24.13           H  
-ATOM    434  HB2 CYS A 195      21.769   8.033   2.849  1.00 74.20           H  
-ATOM    435  HB3 CYS A 195      21.920   7.428   1.211  1.00 24.52           H  
-ATOM    436  N   ALA A 196      23.624   9.678   3.971  1.00 61.42           N  
-ATOM    437  CA  ALA A 196      24.388  10.118   5.131  1.00 61.11           C  
-ATOM    438  C   ALA A 196      25.324   9.017   5.621  1.00 14.14           C  
-ATOM    439  O   ALA A 196      26.436   9.290   6.076  1.00 51.35           O  
-ATOM    440  CB  ALA A 196      23.451  10.552   6.247  1.00 72.21           C  
-ATOM    441  H   ALA A 196      22.671   9.472   4.075  1.00  1.21           H  
-ATOM    442  HA  ALA A 196      24.979  10.974   4.837  1.00 61.12           H  
-ATOM    443  HB1 ALA A 196      23.710  10.030   7.157  1.00 14.40           H  
-ATOM    444  HB2 ALA A 196      23.545  11.617   6.402  1.00 23.54           H  
-ATOM    445  HB3 ALA A 196      22.433  10.316   5.974  1.00 13.31           H  
-ATOM    446  N   LEU A 197      24.867   7.774   5.526  1.00 33.32           N  
-ATOM    447  CA  LEU A 197      25.663   6.631   5.961  1.00  5.41           C  
-ATOM    448  C   LEU A 197      26.918   6.485   5.106  1.00 72.31           C  
-ATOM    449  O   LEU A 197      27.897   5.902   5.569  1.00  1.31           O  
-ATOM    450  CB  LEU A 197      24.832   5.349   5.891  1.00 14.14           C  
-ATOM    451  CG  LEU A 197      24.925   4.421   7.103  1.00 43.42           C  
-ATOM    452  CD1 LEU A 197      23.566   3.818   7.420  1.00 11.34           C  
-ATOM    453  CD2 LEU A 197      25.952   3.325   6.858  1.00  4.51           C  
-ATOM    454  H   LEU A 197      23.974   7.619   5.156  1.00 33.45           H  
-ATOM    455  HA  LEU A 197      25.958   6.804   6.986  1.00 22.21           H  
-ATOM    456  HB2 LEU A 197      23.798   5.632   5.771  1.00 13.11           H  
-ATOM    457  HB3 LEU A 197      25.155   4.794   5.022  1.00 21.14           H  
-ATOM    458  HG  LEU A 197      25.245   4.994   7.963  1.00 74.23           H  
-ATOM    459 HD11 LEU A 197      23.691   2.795   7.742  1.00  4.53           H  
-ATOM    460 HD12 LEU A 197      22.946   3.844   6.536  1.00 71.31           H  
-ATOM    461 HD13 LEU A 197      23.093   4.389   8.206  1.00 20.34           H  
-ATOM    462 HD21 LEU A 197      26.654   3.653   6.105  1.00 62.00           H  
-ATOM    463 HD22 LEU A 197      25.451   2.432   6.518  1.00 35.54           H  
-ATOM    464 HD23 LEU A 197      26.481   3.116   7.776  1.00  4.44           H  
-ATOM    465  N   CYS A 198      26.862   7.012   3.892  1.00 45.43           N  
-ATOM    466  CA  CYS A 198      28.000   6.936   2.991  1.00 73.25           C  
-ATOM    467  C   CYS A 198      28.985   8.044   3.365  1.00  1.12           C  
-ATOM    468  O   CYS A 198      30.205   7.892   3.275  1.00 54.34           O  
-ATOM    469  CB  CYS A 198      27.567   7.027   1.526  1.00 14.41           C  
-ATOM    470  SG  CYS A 198      26.913   5.414   0.963  1.00 24.13           S  
-ATOM    471  H   CYS A 198      26.062   7.485   3.523  1.00 33.33           H  
-ATOM    472  HA  CYS A 198      28.449   5.954   3.135  1.00 74.51           H  
-ATOM    473  HB2 CYS A 198      26.805   7.798   1.411  1.00 15.53           H  
-ATOM    474  HB3 CYS A 198      28.414   7.323   0.906  1.00 22.52           H  
-ATOM    475  N   LYS A 199      28.427   9.172   3.792  1.00 61.01           N  
-ATOM    476  CA  LYS A 199      29.232  10.321   4.190  1.00 74.33           C  
-ATOM    477  C   LYS A 199      29.837  10.110   5.573  1.00 31.32           C  
-ATOM    478  O   LYS A 199      30.755  10.824   5.977  1.00 51.10           O  
-ATOM    479  CB  LYS A 199      28.379  11.592   4.183  1.00 50.24           C  
-ATOM    480  CG  LYS A 199      27.861  11.971   2.805  1.00 33.45           C  
-ATOM    481  CD  LYS A 199      27.778  13.478   2.636  1.00 55.22           C  
-ATOM    482  CE  LYS A 199      26.692  14.078   3.517  1.00 10.23           C  
-ATOM    483  NZ  LYS A 199      26.279  15.429   3.045  1.00 63.24           N  
-ATOM    484  H   LYS A 199      27.450   9.232   3.841  1.00 32.34           H  
-ATOM    485  HA  LYS A 199      30.032  10.430   3.473  1.00 55.41           H  
-ATOM    486  HB2 LYS A 199      27.531  11.447   4.836  1.00 24.21           H  
-ATOM    487  HB3 LYS A 199      28.975  12.412   4.558  1.00 30.11           H  
-ATOM    488  HG2 LYS A 199      28.530  11.571   2.057  1.00 10.13           H  
-ATOM    489  HG3 LYS A 199      26.876  11.546   2.673  1.00  1.45           H  
-ATOM    490  HD2 LYS A 199      28.727  13.916   2.906  1.00 61.34           H  
-ATOM    491  HD3 LYS A 199      27.556  13.703   1.602  1.00 31.32           H  
-ATOM    492  HE2 LYS A 199      25.834  13.424   3.505  1.00 11.41           H  
-ATOM    493  HE3 LYS A 199      27.070  14.158   4.525  1.00 34.05           H  
-ATOM    494  HZ1 LYS A 199      25.467  15.349   2.400  1.00 71.23           H  
-ATOM    495  HZ2 LYS A 199      27.064  15.887   2.540  1.00 23.44           H  
-ATOM    496  HZ3 LYS A 199      26.008  16.023   3.854  1.00 72.23           H  
-ATOM    497  N   LEU A 200      29.317   9.123   6.297  1.00 64.03           N  
-ATOM    498  CA  LEU A 200      29.809   8.815   7.636  1.00 54.32           C  
-ATOM    499  C   LEU A 200      30.654   7.546   7.627  1.00 15.34           C  
-ATOM    500  O   LEU A 200      31.727   7.498   8.229  1.00 30.12           O  
-ATOM    501  CB  LEU A 200      28.636   8.655   8.606  1.00 63.04           C  
-ATOM    502  CG  LEU A 200      28.846   9.220  10.011  1.00  2.21           C  
-ATOM    503  CD1 LEU A 200      29.029  10.730   9.957  1.00 70.11           C  
-ATOM    504  CD2 LEU A 200      27.677   8.855  10.913  1.00 72.13           C  
-ATOM    505  H   LEU A 200      28.587   8.589   5.922  1.00 13.43           H  
-ATOM    506  HA  LEU A 200      30.424   9.641   7.960  1.00 13.34           H  
-ATOM    507  HB2 LEU A 200      27.780   9.151   8.175  1.00 64.13           H  
-ATOM    508  HB3 LEU A 200      28.429   7.599   8.700  1.00  2.03           H  
-ATOM    509  HG  LEU A 200      29.743   8.791  10.435  1.00 64.04           H  
-ATOM    510 HD11 LEU A 200      28.197  11.211  10.447  1.00 51.10           H  
-ATOM    511 HD12 LEU A 200      29.075  11.050   8.927  1.00 24.34           H  
-ATOM    512 HD13 LEU A 200      29.947  10.999  10.459  1.00 64.12           H  
-ATOM    513 HD21 LEU A 200      26.760   8.880  10.341  1.00 65.10           H  
-ATOM    514 HD22 LEU A 200      27.613   9.565  11.724  1.00  0.35           H  
-ATOM    515 HD23 LEU A 200      27.826   7.863  11.312  1.00 54.53           H  
-ATOM    516  N   VAL A 201      30.164   6.519   6.938  1.00  5.42           N  
-ATOM    517  CA  VAL A 201      30.876   5.251   6.848  1.00 24.22           C  
-ATOM    518  C   VAL A 201      31.823   5.236   5.652  1.00 14.21           C  
-ATOM    519  O   VAL A 201      32.958   4.775   5.753  1.00 44.43           O  
-ATOM    520  CB  VAL A 201      29.899   4.066   6.730  1.00  2.43           C  
-ATOM    521  CG1 VAL A 201      30.658   2.748   6.715  1.00 21.30           C  
-ATOM    522  CG2 VAL A 201      28.888   4.096   7.865  1.00 72.33           C  
-ATOM    523  H   VAL A 201      29.304   6.619   6.480  1.00 42.14           H  
-ATOM    524  HA  VAL A 201      31.454   5.126   7.752  1.00 14.02           H  
-ATOM    525  HB  VAL A 201      29.364   4.159   5.796  1.00 22.45           H  
-ATOM    526 HG11 VAL A 201      31.718   2.942   6.783  1.00 42.32           H  
-ATOM    527 HG12 VAL A 201      30.347   2.144   7.555  1.00 15.22           H  
-ATOM    528 HG13 VAL A 201      30.447   2.222   5.796  1.00 22.31           H  
-ATOM    529 HG21 VAL A 201      28.045   4.707   7.580  1.00 41.35           H  
-ATOM    530 HG22 VAL A 201      28.548   3.091   8.072  1.00 23.33           H  
-ATOM    531 HG23 VAL A 201      29.349   4.509   8.749  1.00 70.12           H  
-ATOM    532  N   GLY A 202      31.346   5.744   4.520  1.00 54.41           N  
-ATOM    533  CA  GLY A 202      32.161   5.780   3.321  1.00 44.12           C  
-ATOM    534  C   GLY A 202      33.226   6.858   3.376  1.00 53.44           C  
-ATOM    535  O   GLY A 202      33.813   7.107   4.428  1.00  1.42           O  
-ATOM    536  H   GLY A 202      30.432   6.099   4.500  1.00 74.42           H  
-ATOM    537  HA2 GLY A 202      32.641   4.822   3.196  1.00 24.54           H  
-ATOM    538  HA3 GLY A 202      31.523   5.965   2.470  1.00 34.11           H  
-ATOM    539  N   ARG A 203      33.476   7.499   2.238  1.00 21.24           N  
-ATOM    540  CA  ARG A 203      34.479   8.553   2.160  1.00  3.21           C  
-ATOM    541  C   ARG A 203      33.900   9.807   1.512  1.00 43.30           C  
-ATOM    542  O   ARG A 203      34.633  10.628   0.958  1.00 61.20           O  
-ATOM    543  CB  ARG A 203      35.696   8.072   1.367  1.00  2.22           C  
-ATOM    544  CG  ARG A 203      37.020   8.585   1.911  1.00 74.51           C  
-ATOM    545  CD  ARG A 203      38.199   7.879   1.261  1.00 41.32           C  
-ATOM    546  NE  ARG A 203      39.148   7.374   2.249  1.00  4.54           N  
-ATOM    547  CZ  ARG A 203      40.174   6.586   1.947  1.00 12.23           C  
-ATOM    548  NH1 ARG A 203      40.382   6.214   0.692  1.00 14.03           N  
-ATOM    549  NH2 ARG A 203      40.994   6.168   2.903  1.00 42.04           N  
-ATOM    550  H   ARG A 203      32.975   7.256   1.432  1.00 35.40           H  
-ATOM    551  HA  ARG A 203      34.788   8.793   3.166  1.00 23.02           H  
-ATOM    552  HB2 ARG A 203      35.719   6.992   1.385  1.00 72.22           H  
-ATOM    553  HB3 ARG A 203      35.599   8.405   0.345  1.00 40.12           H  
-ATOM    554  HG2 ARG A 203      37.093   9.644   1.713  1.00 20.43           H  
-ATOM    555  HG3 ARG A 203      37.051   8.412   2.977  1.00 71.53           H  
-ATOM    556  HD2 ARG A 203      37.829   7.050   0.676  1.00 54.33           H  
-ATOM    557  HD3 ARG A 203      38.706   8.578   0.613  1.00 53.45           H  
-ATOM    558  HE  ARG A 203      39.014   7.637   3.183  1.00  0.42           H  
-ATOM    559 HH11 ARG A 203      39.766   6.529  -0.030  1.00 60.42           H  
-ATOM    560 HH12 ARG A 203      41.155   5.621   0.468  1.00 51.20           H  
-ATOM    561 HH21 ARG A 203      40.841   6.446   3.851  1.00 53.13           H  
-ATOM    562 HH22 ARG A 203      41.765   5.574   2.675  1.00 63.21           H  
-ATOM    563  N   HIS A 204      32.581   9.949   1.584  1.00 13.33           N  
-ATOM    564  CA  HIS A 204      31.903  11.103   1.004  1.00 11.40           C  
-ATOM    565  C   HIS A 204      31.669  12.182   2.057  1.00 43.51           C  
-ATOM    566  O   HIS A 204      30.636  12.852   2.054  1.00 31.22           O  
-ATOM    567  CB  HIS A 204      30.570  10.681   0.385  1.00 23.44           C  
-ATOM    568  CG  HIS A 204      30.687   9.522  -0.557  1.00 51.41           C  
-ATOM    569  ND1 HIS A 204      30.967   9.670  -1.899  1.00 11.10           N  
-ATOM    570  CD2 HIS A 204      30.562   8.191  -0.344  1.00 44.43           C  
-ATOM    571  CE1 HIS A 204      31.007   8.480  -2.472  1.00 43.50           C  
-ATOM    572  NE2 HIS A 204      30.766   7.566  -1.550  1.00  4.32           N  
-ATOM    573  H   HIS A 204      32.051   9.263   2.038  1.00 31.04           H  
-ATOM    574  HA  HIS A 204      32.537  11.506   0.229  1.00 63.22           H  
-ATOM    575  HB2 HIS A 204      29.888  10.398   1.174  1.00  0.34           H  
-ATOM    576  HB3 HIS A 204      30.154  11.514  -0.161  1.00 41.54           H  
-ATOM    577  HD2 HIS A 204      30.344   7.710   0.599  1.00 32.10           H  
-ATOM    578  HE1 HIS A 204      31.205   8.287  -3.515  1.00 52.24           H  
-ATOM    579  N   ARG A 205      32.636  12.345   2.954  1.00 20.13           N  
-ATOM    580  CA  ARG A 205      32.534  13.342   4.014  1.00 70.23           C  
-ATOM    581  C   ARG A 205      33.213  14.645   3.602  1.00 72.23           C  
-ATOM    582  O   ARG A 205      32.782  15.731   3.992  1.00 30.33           O  
-ATOM    583  CB  ARG A 205      33.164  12.812   5.303  1.00  2.02           C  
-ATOM    584  CG  ARG A 205      34.683  12.757   5.262  1.00 74.24           C  
-ATOM    585  CD  ARG A 205      35.257  12.213   6.560  1.00 33.32           C  
-ATOM    586  NE  ARG A 205      36.515  11.504   6.348  1.00 45.53           N  
-ATOM    587  CZ  ARG A 205      36.590  10.255   5.902  1.00 23.43           C  
-ATOM    588  NH1 ARG A 205      35.484   9.580   5.624  1.00 34.00           N  
-ATOM    589  NH2 ARG A 205      37.774   9.679   5.735  1.00 22.50           N  
-ATOM    590  H   ARG A 205      33.436  11.781   2.904  1.00  0.30           H  
-ATOM    591  HA  ARG A 205      31.486  13.535   4.189  1.00 72.33           H  
-ATOM    592  HB2 ARG A 205      32.872  13.453   6.123  1.00 24.32           H  
-ATOM    593  HB3 ARG A 205      32.794  11.815   5.487  1.00 20.04           H  
-ATOM    594  HG2 ARG A 205      34.988  12.114   4.448  1.00 21.32           H  
-ATOM    595  HG3 ARG A 205      35.065  13.753   5.097  1.00 30.15           H  
-ATOM    596  HD2 ARG A 205      35.428  13.037   7.236  1.00 72.12           H  
-ATOM    597  HD3 ARG A 205      34.541  11.532   6.996  1.00 11.24           H  
-ATOM    598  HE  ARG A 205      37.346  11.984   6.547  1.00 30.10           H  
-ATOM    599 HH11 ARG A 205      34.591  10.012   5.748  1.00 54.05           H  
-ATOM    600 HH12 ARG A 205      35.543   8.639   5.287  1.00 43.41           H  
-ATOM    601 HH21 ARG A 205      38.610  10.184   5.944  1.00 42.13           H  
-ATOM    602 HH22 ARG A 205      37.829   8.738   5.400  1.00 71.20           H  
-ATOM    603  N   ASP A 206      34.274  14.529   2.811  1.00 21.15           N  
-ATOM    604  CA  ASP A 206      35.012  15.697   2.346  1.00 51.10           C  
-ATOM    605  C   ASP A 206      34.702  15.987   0.881  1.00 45.01           C  
-ATOM    606  O   ASP A 206      35.326  16.850   0.262  1.00 21.24           O  
-ATOM    607  CB  ASP A 206      36.515  15.485   2.530  1.00 24.14           C  
-ATOM    608  CG  ASP A 206      36.986  15.858   3.922  1.00  5.42           C  
-ATOM    609  OD1 ASP A 206      36.742  17.009   4.342  1.00 71.15           O  
-ATOM    610  OD2 ASP A 206      37.600  15.001   4.591  1.00  0.32           O  
-ATOM    611  H   ASP A 206      34.568  13.636   2.535  1.00  1.20           H  
-ATOM    612  HA  ASP A 206      34.702  16.544   2.940  1.00 10.02           H  
-ATOM    613  HB2 ASP A 206      36.749  14.444   2.359  1.00 31.31           H  
-ATOM    614  HB3 ASP A 206      37.048  16.092   1.814  1.00  4.23           H  
-ATOM    615  N   HIS A 207      33.736  15.258   0.330  1.00 42.21           N  
-ATOM    616  CA  HIS A 207      33.344  15.437  -1.063  1.00 41.15           C  
-ATOM    617  C   HIS A 207      32.427  16.647  -1.219  1.00 12.12           C  
-ATOM    618  O   HIS A 207      32.037  17.272  -0.233  1.00  3.15           O  
-ATOM    619  CB  HIS A 207      32.642  14.182  -1.582  1.00 65.14           C  
-ATOM    620  CG  HIS A 207      33.562  13.013  -1.763  1.00 11.34           C  
-ATOM    621  ND1 HIS A 207      33.130  11.772  -2.180  1.00 32.52           N  
-ATOM    622  CD2 HIS A 207      34.899  12.902  -1.581  1.00 41.44           C  
-ATOM    623  CE1 HIS A 207      34.160  10.948  -2.246  1.00  2.14           C  
-ATOM    624  NE2 HIS A 207      35.245  11.610  -1.888  1.00 23.44           N  
-ATOM    625  H   HIS A 207      33.276  14.586   0.874  1.00 44.21           H  
-ATOM    626  HA  HIS A 207      34.240  15.603  -1.641  1.00 53.34           H  
-ATOM    627  HB2 HIS A 207      31.872  13.892  -0.883  1.00 42.01           H  
-ATOM    628  HB3 HIS A 207      32.190  14.399  -2.539  1.00 54.10           H  
-ATOM    629  HD2 HIS A 207      35.569  13.686  -1.256  1.00 61.10           H  
-ATOM    630  HE1 HIS A 207      34.122   9.911  -2.541  1.00 31.31           H  
-ATOM    631  N   GLN A 208      32.089  16.971  -2.463  1.00 63.00           N  
-ATOM    632  CA  GLN A 208      31.219  18.106  -2.746  1.00 41.44           C  
-ATOM    633  C   GLN A 208      29.785  17.647  -2.989  1.00 63.02           C  
-ATOM    634  O   GLN A 208      29.552  16.583  -3.563  1.00 44.32           O  
-ATOM    635  CB  GLN A 208      31.733  18.878  -3.962  1.00 42.24           C  
-ATOM    636  CG  GLN A 208      32.414  20.190  -3.607  1.00 40.33           C  
-ATOM    637  CD  GLN A 208      33.622  20.476  -4.478  1.00 21.32           C  
-ATOM    638  OE1 GLN A 208      34.742  20.085  -4.151  1.00 24.05           O  
-ATOM    639  NE2 GLN A 208      33.401  21.160  -5.593  1.00 54.43           N  
-ATOM    640  H   GLN A 208      32.432  16.434  -3.207  1.00  1.12           H  
-ATOM    641  HA  GLN A 208      31.234  18.758  -1.886  1.00 14.12           H  
-ATOM    642  HB2 GLN A 208      32.444  18.261  -4.492  1.00 41.44           H  
-ATOM    643  HB3 GLN A 208      30.901  19.095  -4.615  1.00 74.34           H  
-ATOM    644  HG2 GLN A 208      31.703  20.995  -3.731  1.00 71.44           H  
-ATOM    645  HG3 GLN A 208      32.732  20.148  -2.576  1.00 42.11           H  
-ATOM    646 HE21 GLN A 208      32.481  21.441  -5.789  1.00 30.11           H  
-ATOM    647 HE22 GLN A 208      34.163  21.360  -6.174  1.00 21.10           H  
-ATOM    648  N   VAL A 209      28.827  18.455  -2.549  1.00 52.41           N  
-ATOM    649  CA  VAL A 209      27.416  18.132  -2.719  1.00 52.30           C  
-ATOM    650  C   VAL A 209      26.585  19.393  -2.934  1.00 45.43           C  
-ATOM    651  O   VAL A 209      27.125  20.495  -3.025  1.00 14.11           O  
-ATOM    652  CB  VAL A 209      26.863  17.370  -1.500  1.00 22.21           C  
-ATOM    653  CG1 VAL A 209      27.609  16.057  -1.309  1.00 11.41           C  
-ATOM    654  CG2 VAL A 209      26.952  18.231  -0.249  1.00 63.43           C  
-ATOM    655  H   VAL A 209      29.075  19.290  -2.099  1.00 11.22           H  
-ATOM    656  HA  VAL A 209      27.321  17.497  -3.588  1.00 15.34           H  
-ATOM    657  HB  VAL A 209      25.823  17.144  -1.683  1.00 52.32           H  
-ATOM    658 HG11 VAL A 209      27.241  15.561  -0.423  1.00 54.33           H  
-ATOM    659 HG12 VAL A 209      27.451  15.425  -2.170  1.00 60.51           H  
-ATOM    660 HG13 VAL A 209      28.664  16.257  -1.197  1.00  0.01           H  
-ATOM    661 HG21 VAL A 209      27.456  19.155  -0.484  1.00 54.32           H  
-ATOM    662 HG22 VAL A 209      25.957  18.445   0.113  1.00 22.20           H  
-ATOM    663 HG23 VAL A 209      27.505  17.703   0.513  1.00 24.41           H  
-ATOM    664  N   ALA A 210      25.270  19.222  -3.016  1.00 21.15           N  
-ATOM    665  CA  ALA A 210      24.365  20.345  -3.219  1.00 52.32           C  
-ATOM    666  C   ALA A 210      23.131  20.224  -2.331  1.00 73.13           C  
-ATOM    667  O   ALA A 210      22.285  19.356  -2.545  1.00 34.42           O  
-ATOM    668  CB  ALA A 210      23.958  20.438  -4.682  1.00 51.11           C  
-ATOM    669  H   ALA A 210      24.900  18.318  -2.936  1.00 21.01           H  
-ATOM    670  HA  ALA A 210      24.894  21.252  -2.960  1.00 22.41           H  
-ATOM    671  HB1 ALA A 210      22.949  20.822  -4.751  1.00 24.52           H  
-ATOM    672  HB2 ALA A 210      24.632  21.102  -5.202  1.00 22.11           H  
-ATOM    673  HB3 ALA A 210      24.001  19.457  -5.130  1.00 12.24           H  
-ATOM    674  N   ALA A 211      23.035  21.098  -1.335  1.00 52.51           N  
-ATOM    675  CA  ALA A 211      21.904  21.089  -0.416  1.00 71.30           C  
-ATOM    676  C   ALA A 211      20.823  22.066  -0.865  1.00 21.34           C  
-ATOM    677  O   ALA A 211      21.121  23.182  -1.294  1.00 32.13           O  
-ATOM    678  CB  ALA A 211      22.368  21.421   0.995  1.00 53.10           C  
-ATOM    679  H   ALA A 211      23.741  21.767  -1.216  1.00 63.34           H  
-ATOM    680  HA  ALA A 211      21.491  20.090  -0.406  1.00 71.21           H  
-ATOM    681  HB1 ALA A 211      22.231  20.559   1.631  1.00 15.01           H  
-ATOM    682  HB2 ALA A 211      23.412  21.693   0.975  1.00 22.04           H  
-ATOM    683  HB3 ALA A 211      21.788  22.248   1.378  1.00 33.02           H  
-ATOM    684  N   LEU A 212      19.569  21.641  -0.763  1.00 13.45           N  
-ATOM    685  CA  LEU A 212      18.442  22.480  -1.159  1.00 63.42           C  
-ATOM    686  C   LEU A 212      18.492  22.786  -2.653  1.00 74.44           C  
-ATOM    687  O   LEU A 212      19.300  23.597  -3.104  1.00 63.14           O  
-ATOM    688  CB  LEU A 212      18.445  23.784  -0.360  1.00 24.54           C  
-ATOM    689  CG  LEU A 212      17.142  24.584  -0.377  1.00 24.51           C  
-ATOM    690  CD1 LEU A 212      16.443  24.492   0.970  1.00 54.41           C  
-ATOM    691  CD2 LEU A 212      17.413  26.035  -0.742  1.00 51.44           C  
-ATOM    692  H   LEU A 212      19.394  20.744  -0.412  1.00 23.32           H  
-ATOM    693  HA  LEU A 212      17.534  21.937  -0.945  1.00 60.01           H  
-ATOM    694  HB2 LEU A 212      18.670  23.540   0.667  1.00 11.34           H  
-ATOM    695  HB3 LEU A 212      19.227  24.413  -0.759  1.00 14.32           H  
-ATOM    696  HG  LEU A 212      16.481  24.167  -1.124  1.00 62.11           H  
-ATOM    697 HD11 LEU A 212      16.640  23.529   1.414  1.00 31.33           H  
-ATOM    698 HD12 LEU A 212      15.378  24.614   0.832  1.00 14.13           H  
-ATOM    699 HD13 LEU A 212      16.812  25.272   1.621  1.00 52.11           H  
-ATOM    700 HD21 LEU A 212      18.078  26.074  -1.592  1.00 51.23           H  
-ATOM    701 HD22 LEU A 212      17.870  26.539   0.096  1.00 22.42           H  
-ATOM    702 HD23 LEU A 212      16.481  26.523  -0.991  1.00 44.22           H  
-ATOM    703  N   SER A 213      17.621  22.131  -3.415  1.00 51.33           N  
-ATOM    704  CA  SER A 213      17.566  22.332  -4.859  1.00  0.23           C  
-ATOM    705  C   SER A 213      17.339  23.803  -5.194  1.00 21.31           C  
-ATOM    706  O   SER A 213      16.291  24.367  -4.879  1.00 72.15           O  
-ATOM    707  CB  SER A 213      16.454  21.479  -5.472  1.00 23.14           C  
-ATOM    708  OG  SER A 213      16.456  20.171  -4.927  1.00 33.12           O  
-ATOM    709  H   SER A 213      17.002  21.498  -2.997  1.00 32.42           H  
-ATOM    710  HA  SER A 213      18.515  22.024  -5.272  1.00 22.50           H  
-ATOM    711  HB2 SER A 213      15.498  21.939  -5.270  1.00  4.30           H  
-ATOM    712  HB3 SER A 213      16.604  21.412  -6.540  1.00 13.12           H  
-ATOM    713  HG  SER A 213      15.577  19.792  -5.002  1.00 73.43           H  
-ATOM    714  N   GLU A 214      18.328  24.417  -5.835  1.00 41.54           N  
-ATOM    715  CA  GLU A 214      18.236  25.822  -6.214  1.00  3.24           C  
-ATOM    716  C   GLU A 214      17.071  26.053  -7.172  1.00 64.41           C  
-ATOM    717  O   GLU A 214      16.947  27.122  -7.768  1.00 70.25           O  
-ATOM    718  CB  GLU A 214      19.543  26.286  -6.861  1.00 34.25           C  
-ATOM    719  CG  GLU A 214      20.025  25.376  -7.977  1.00 65.35           C  
-ATOM    720  CD  GLU A 214      21.330  24.681  -7.640  1.00 62.25           C  
-ATOM    721  OE1 GLU A 214      21.288  23.644  -6.946  1.00 54.24           O  
-ATOM    722  OE2 GLU A 214      22.394  25.174  -8.071  1.00 24.21           O  
-ATOM    723  H   GLU A 214      19.139  23.914  -6.058  1.00 63.40           H  
-ATOM    724  HA  GLU A 214      18.067  26.397  -5.316  1.00 54.52           H  
-ATOM    725  HB2 GLU A 214      19.398  27.276  -7.268  1.00 35.43           H  
-ATOM    726  HB3 GLU A 214      20.311  26.327  -6.102  1.00 52.51           H  
-ATOM    727  HG2 GLU A 214      19.273  24.624  -8.163  1.00 23.21           H  
-ATOM    728  HG3 GLU A 214      20.169  25.967  -8.869  1.00 65.14           H  

Deleted: SwiftApps/modFTDock/input/2frg-1.pdb
===================================================================
--- SwiftApps/modFTDock/input/2frg-1.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/2frg-1.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,806 +0,0 @@
-ATOM      1  N   GLY P  20       7.737  13.548  23.486  1.00 12.65           N  
-ATOM      2  CA  GLY P  20       6.669  13.824  24.477  1.00 11.14           C  
-ATOM      3  C   GLY P  20       5.786  15.001  24.126  1.00  9.66           C  
-ATOM      4  O   GLY P  20       5.450  15.226  22.961  1.00 10.79           O  
-ATOM      5  N   SER P  21       5.393  15.712  25.166  1.00  8.52           N  
-ATOM      6  CA  SER P  21       4.353  16.728  25.057  1.00  8.08           C  
-ATOM      7  C   SER P  21       4.890  18.079  24.616  1.00  7.03           C  
-ATOM      8  O   SER P  21       4.141  18.873  24.036  1.00  7.25           O  
-ATOM      9  CB  SER P  21       3.612  16.861  26.384  1.00  8.20           C  
-ATOM     10  OG  SER P  21       4.465  17.410  27.374  1.00  9.64           O  
-ATOM     11  N   LEU P  22       6.161  18.358  24.909  1.00  6.49           N  
-ATOM     12  CA  LEU P  22       6.705  19.700  24.718  1.00  6.93           C  
-ATOM     13  C   LEU P  22       7.701  19.693  23.556  1.00  7.02           C  
-ATOM     14  O   LEU P  22       8.298  18.658  23.250  1.00  7.28           O  
-ATOM     15  CB  LEU P  22       7.369  20.206  26.030  1.00  9.02           C  
-ATOM     16  CG  LEU P  22       6.420  20.601  27.141  1.00  8.59           C  
-ATOM     17  CD1 LEU P  22       7.182  20.621  28.459  1.00 10.83           C  
-ATOM     18  CD2 LEU P  22       5.814  21.952  26.823  1.00 10.38           C  
-ATOM     19  N   PRO P  23       7.953  20.871  22.952  1.00  6.57           N  
-ATOM     20  CA  PRO P  23       9.068  20.982  22.012  1.00  6.76           C  
-ATOM     21  C   PRO P  23      10.378  20.975  22.792  1.00  6.74           C  
-ATOM     22  O   PRO P  23      10.374  21.039  24.022  1.00  6.64           O  
-ATOM     23  CB  PRO P  23       8.858  22.382  21.412  1.00  7.43           C  
-ATOM     24  CG  PRO P  23       8.208  23.156  22.536  1.00  7.53           C  
-ATOM     25  CD  PRO P  23       7.307  22.177  23.221  1.00  7.29           C  
-ATOM     26  N   GLU P  24      11.495  20.918  22.076  1.00  6.80           N  
-ATOM     27  CA  GLU P  24      12.766  21.313  22.645  1.00  6.94           C  
-ATOM     28  C   GLU P  24      12.648  22.788  22.974  1.00  7.18           C  
-ATOM     29  O   GLU P  24      12.097  23.551  22.172  1.00  9.13           O  
-ATOM     30  CB  GLU P  24      13.855  21.035  21.618  1.00  6.88           C  
-ATOM     31  CG  GLU P  24      15.237  21.505  22.061  1.00  7.02           C  
-ATOM     32  CD  GLU P  24      16.354  21.162  21.086  1.00  8.00           C  
-ATOM     33  OE1 GLU P  24      16.124  20.518  20.045  1.00  7.93           O  
-ATOM     34  OE2 GLU P  24      17.492  21.528  21.416  1.00  9.05           O  
-ATOM     35  N   VAL P  25      13.066  23.170  24.178  1.00  6.80           N  
-ATOM     36  CA  VAL P  25      12.915  24.543  24.653  1.00  7.04           C  
-ATOM     37  C   VAL P  25      14.294  25.153  24.836  1.00  6.91           C  
-ATOM     38  O   VAL P  25      15.095  24.657  25.627  1.00  7.48           O  
-ATOM     39  CB  VAL P  25      12.107  24.611  25.963  1.00  7.24           C  
-ATOM     40  CG1 VAL P  25      11.971  26.066  26.408  1.00  8.81           C  
-ATOM     41  CG2 VAL P  25      10.722  23.998  25.756  1.00  8.81           C  
-ATOM     42  N   LEU P  26      14.558  26.234  24.098  1.00  7.14           N  
-ATOM     43  CA  LEU P  26      15.845  26.906  24.111  1.00  8.05           C  
-ATOM     44  C   LEU P  26      15.699  28.339  24.513  1.00  8.84           C  
-ATOM     45  O   LEU P  26      14.729  28.989  24.152  1.00  9.00           O  
-ATOM     46  CB  LEU P  26      16.455  26.886  22.721  1.00  8.72           C  
-ATOM     47  CG  LEU P  26      16.674  25.499  22.129  1.00  9.39           C  
-ATOM     48  CD1 LEU P  26      17.243  25.599  20.713  1.00 12.51           C  
-ATOM     49  CD2 LEU P  26      17.523  24.613  23.047  1.00 13.49           C  
-ATOM     50  N   GLN P  27      16.707  28.821  25.243  1.00  9.76           N  
-ATOM     51  CA  GLN P  27      16.872  30.230  25.604  1.00 10.31           C  
-ATOM     52  C   GLN P  27      18.242  30.698  25.128  1.00 11.03           C  
-ATOM     53  O   GLN P  27      19.258  30.073  25.455  1.00 12.42           O  
-ATOM     54  CB  GLN P  27      16.861  30.366  27.120  1.00 10.91           C  
-ATOM     55  CG  GLN P  27      15.649  29.814  27.776  1.00 13.42           C  
-ATOM     56  CD  GLN P  27      14.436  30.668  27.553  1.00 12.12           C  
-ATOM     57  OE1 GLN P  27      14.541  31.867  27.236  1.00 14.73           O  
-ATOM     58  NE2 GLN P  27      13.265  30.082  27.753  1.00 14.22           N  
-ATOM     59  N   ALA P  28      18.288  31.804  24.388  1.00 10.62           N  
-ATOM     60  CA  ALA P  28      19.563  32.297  23.870  1.00 10.98           C  
-ATOM     61  C   ALA P  28      19.555  33.814  23.811  1.00 10.21           C  
-ATOM     62  O   ALA P  28      18.574  34.421  23.397  1.00 10.13           O  
-ATOM     63  CB  ALA P  28      19.817  31.719  22.482  1.00 12.28           C  
-ATOM     64  N   PRO P  29      20.666  34.458  24.206  1.00 10.39           N  
-ATOM     65  CA  PRO P  29      20.745  35.893  23.963  1.00 10.96           C  
-ATOM     66  C   PRO P  29      21.034  36.172  22.501  1.00  9.64           C  
-ATOM     67  O   PRO P  29      21.497  35.299  21.776  1.00  9.13           O  
-ATOM     68  CB  PRO P  29      21.904  36.339  24.851  1.00 11.70           C  
-ATOM     69  CG  PRO P  29      22.763  35.157  25.005  1.00 13.28           C  
-ATOM     70  CD  PRO P  29      21.864  33.931  24.891  1.00 11.74           C  
-ATOM     71  N   VAL P  30      20.753  37.398  22.085  1.00  9.22           N  
-ATOM     72  CA  VAL P  30      21.108  37.839  20.745  1.00  9.13           C  
-ATOM     73  C   VAL P  30      22.622  37.644  20.579  1.00  8.37           C  
-ATOM     74  O   VAL P  30      23.410  37.904  21.501  1.00  8.40           O  
-ATOM     75  CB  VAL P  30      20.699  39.325  20.518  1.00  8.98           C  
-ATOM     76  CG1 VAL P  30      21.274  39.854  19.212  1.00 10.59           C  
-ATOM     77  CG2 VAL P  30      19.183  39.474  20.539  1.00 10.61           C  
-ATOM     78  N   GLY P  31      23.005  37.141  19.414  1.00  8.55           N  
-ATOM     79  CA  GLY P  31      24.409  36.919  19.069  1.00  9.62           C  
-ATOM     80  C   GLY P  31      24.907  35.525  19.363  1.00  9.71           C  
-ATOM     81  O   GLY P  31      26.024  35.179  18.982  1.00 10.59           O  
-ATOM     82  N   SER P  32      24.108  34.715  20.046  1.00  9.30           N  
-ATOM     83  CA  SER P  32      24.561  33.374  20.354  1.00  9.53           C  
-ATOM     84  C   SER P  32      24.230  32.423  19.224  1.00  8.71           C  
-ATOM     85  O   SER P  32      23.496  32.775  18.294  1.00  9.33           O  
-ATOM     86  CB  SER P  32      23.950  32.918  21.656  1.00 10.97           C  
-ATOM     87  OG  SER P  32      22.571  32.729  21.471  1.00 15.46           O  
-ATOM     88  N   SER P  33      24.798  31.224  19.319  1.00  8.00           N  
-ATOM     89  CA  SER P  33      24.592  30.201  18.312  1.00  8.15           C  
-ATOM     90  C   SER P  33      24.100  28.920  18.964  1.00  8.04           C  
-ATOM     91  O   SER P  33      24.396  28.653  20.137  1.00  8.71           O  
-ATOM     92  CB  SER P  33      25.887  29.927  17.549  1.00  8.54           C  
-ATOM     93  OG  SER P  33      26.323  31.079  16.840  1.00  8.67           O  
-ATOM     94  N   ILE P  34      23.365  28.127  18.190  1.00  7.68           N  
-ATOM     95  CA  ILE P  34      22.794  26.880  18.678  1.00  7.94           C  
-ATOM     96  C   ILE P  34      23.011  25.773  17.649  1.00  7.06           C  
-ATOM     97  O   ILE P  34      23.112  26.019  16.447  1.00  6.79           O  
-ATOM     98  CB  ILE P  34      21.286  27.015  18.999  1.00  8.28           C  
-ATOM     99  CG1 ILE P  34      20.476  27.457  17.777  1.00 10.71           C  
-ATOM    100  CG2 ILE P  34      21.069  27.960  20.208  1.00 10.76           C  
-ATOM    101  CD1 ILE P  34      18.967  27.376  17.970  1.00 11.85           C  
-ATOM    102  N   LEU P  35      23.090  24.546  18.160  1.00  6.76           N  
-ATOM    103  CA  LEU P  35      23.067  23.320  17.353  1.00  6.95           C  
-ATOM    104  C   LEU P  35      21.906  22.457  17.792  1.00  6.90           C  
-ATOM    105  O   LEU P  35      21.749  22.202  18.996  1.00  8.51           O  
-ATOM    106  CB  LEU P  35      24.368  22.538  17.551  1.00  7.56           C  
-ATOM    107  CG  LEU P  35      25.623  23.261  17.051  1.00  6.66           C  
-ATOM    108  CD1 LEU P  35      26.870  22.469  17.441  1.00  9.04           C  
-ATOM    109  CD2 LEU P  35      25.578  23.433  15.560  1.00  8.43           C  
-ATOM    110  N   VAL P  36      21.076  22.047  16.831  1.00  7.15           N  
-ATOM    111  CA  VAL P  36      19.910  21.207  17.095  1.00  7.53           C  
-ATOM    112  C   VAL P  36      20.063  19.957  16.233  1.00  6.98           C  
-ATOM    113  O   VAL P  36      20.514  20.034  15.095  1.00  7.41           O  
-ATOM    114  CB  VAL P  36      18.619  21.960  16.723  1.00  8.02           C  
-ATOM    115  CG1 VAL P  36      17.429  20.998  16.510  1.00  8.66           C  
-ATOM    116  CG2 VAL P  36      18.281  22.989  17.802  1.00  9.27           C  
-ATOM    117  N   GLN P  37      19.689  18.808  16.775  1.00  6.91           N  
-ATOM    118  CA  GLN P  37      19.747  17.566  16.014  1.00  7.62           C  
-ATOM    119  C   GLN P  37      18.352  16.999  15.928  1.00  7.40           C  
-ATOM    120  O   GLN P  37      17.653  16.813  16.933  1.00  9.56           O  
-ATOM    121  CB  GLN P  37      20.666  16.576  16.695  1.00  8.28           C  
-ATOM    122  CG  GLN P  37      20.912  17.004  18.147  1.00 15.27           C  
-ATOM    123  CD  GLN P  37      22.181  17.881  18.475  1.00 13.36           C  
-ATOM    124  OE1 GLN P  37      22.633  17.756  19.584  1.00 20.90           O  
-ATOM    125  NE2 GLN P  37      22.694  18.809  17.563  1.00  9.67           N  
-ATOM    126  N   CYS P  38      17.937  16.756  14.702  1.00  6.95           N  
-ATOM    127  CA  CYS P  38      16.702  16.069  14.443  1.00  7.29           C  
-ATOM    128  C   CYS P  38      17.074  14.685  13.926  1.00  7.75           C  
-ATOM    129  O   CYS P  38      18.159  14.495  13.370  1.00  8.83           O  
-ATOM    130  CB  CYS P  38      15.883  16.831  13.409  1.00  7.15           C  
-ATOM    131  SG  CYS P  38      15.346  18.445  14.048  1.00  8.15           S  
-ATOM    132  N   HIS P  39      16.178  13.721  14.084  1.00  8.33           N  
-ATOM    133  CA  HIS P  39      16.487  12.335  13.779  1.00  8.91           C  
-ATOM    134  C   HIS P  39      15.368  11.781  12.931  1.00  9.14           C  
-ATOM    135  O   HIS P  39      14.178  12.061  13.175  1.00 10.31           O  
-ATOM    136  CB  HIS P  39      16.652  11.533  15.073  1.00  9.24           C  
-ATOM    137  CG  HIS P  39      17.663  12.127  16.007  1.00  9.45           C  
-ATOM    138  ND1 HIS P  39      17.308  12.794  17.155  1.00 11.07           N  
-ATOM    139  CD2 HIS P  39      19.017  12.187  15.942  1.00 10.32           C  
-ATOM    140  CE1 HIS P  39      18.398  13.216  17.776  1.00 11.65           C  
-ATOM    141  NE2 HIS P  39      19.447  12.869  17.056  1.00 10.44           N  
-ATOM    142  N   TYR P  40      15.741  11.011  11.913  1.00  9.49           N  
-ATOM    143  CA  TYR P  40      14.756  10.388  11.047  1.00  9.92           C  
-ATOM    144  C   TYR P  40      15.103   8.911  10.874  1.00 10.49           C  
-ATOM    145  O   TYR P  40      16.199   8.464  11.231  1.00 10.86           O  
-ATOM    146  CB  TYR P  40      14.658  11.127   9.694  1.00  9.44           C  
-ATOM    147  CG  TYR P  40      15.944  11.083   8.905  1.00  8.31           C  
-ATOM    148  CD1 TYR P  40      16.900  12.096   9.017  1.00  8.44           C  
-ATOM    149  CD2 TYR P  40      16.239   9.983   8.101  1.00  9.49           C  
-ATOM    150  CE1 TYR P  40      18.091  12.030   8.306  1.00  8.83           C  
-ATOM    151  CE2 TYR P  40      17.433   9.895   7.404  1.00  9.25           C  
-ATOM    152  CZ  TYR P  40      18.346  10.927   7.494  1.00  8.95           C  
-ATOM    153  OH  TYR P  40      19.529  10.806   6.806  1.00  9.49           O  
-ATOM    154  N   ARG P  41      14.145   8.151  10.353  1.00 11.45           N  
-ATOM    155  CA  ARG P  41      14.289   6.699  10.215  1.00 13.98           C  
-ATOM    156  C   ARG P  41      15.236   6.348   9.065  1.00 14.05           C  
-ATOM    157  O   ARG P  41      15.249   7.023   8.033  1.00 13.15           O  
-ATOM    158  CB  ARG P  41      12.911   6.057   9.964  1.00 15.04           C  
-ATOM    159  CG  ARG P  41      11.908   6.258  11.094  1.00 17.67           C  
-ATOM    160  CD  ARG P  41      10.514   5.675  10.803  1.00 18.73           C  
-ATOM    161  NE  ARG P  41       9.516   6.226  11.724  1.00 26.62           N  
-ATOM    162  CZ  ARG P  41       8.238   5.847  11.808  1.00 28.73           C  
-ATOM    163  NH1 ARG P  41       7.747   4.890  11.020  1.00 31.23           N  
-ATOM    164  NH2 ARG P  41       7.439   6.432  12.696  1.00 31.07           N  
-ATOM    165  N   LEU P  42      15.993   5.259   9.219  1.00 14.68           N  
-ATOM    166  CA  LEU P  42      16.924   4.835   8.166  1.00 16.56           C  
-ATOM    167  C   LEU P  42      16.231   4.595   6.826  1.00 16.58           C  
-ATOM    168  O   LEU P  42      16.808   4.846   5.768  1.00 18.04           O  
-ATOM    169  CB  LEU P  42      17.692   3.588   8.589  1.00 16.68           C  
-ATOM    170  CG  LEU P  42      18.856   3.836   9.538  1.00 19.40           C  
-ATOM    171  CD1 LEU P  42      19.407   2.526  10.063  1.00 21.00           C  
-ATOM    172  CD2 LEU P  42      19.951   4.640   8.815  1.00 20.70           C  
-ATOM    173  N   GLN P  43      14.978   4.153   6.889  1.00 16.43           N  
-ATOM    174  CA  GLN P  43      14.139   3.933   5.710  1.00 16.47           C  
-ATOM    175  C   GLN P  43      13.974   5.208   4.879  1.00 15.54           C  
-ATOM    176  O   GLN P  43      13.640   5.138   3.690  1.00 16.66           O  
-ATOM    177  CB  GLN P  43      12.752   3.397   6.127  1.00 16.42           C  
-ATOM    178  CG  GLN P  43      12.708   1.932   6.603  1.00 18.58           C  
-ATOM    179  CD  GLN P  43      12.927   1.749   8.109  1.00 19.15           C  
-ATOM    180  OE1 GLN P  43      12.797   0.639   8.624  1.00 22.65           O  
-ATOM    181  NE2 GLN P  43      13.264   2.823   8.812  1.00 18.07           N  
-ATOM    182  N   ASP P  44      14.222   6.360   5.507  1.00 14.43           N  
-ATOM    183  CA  ASP P  44      13.937   7.664   4.919  1.00 12.87           C  
-ATOM    184  C   ASP P  44      15.189   8.456   4.512  1.00 12.22           C  
-ATOM    185  O   ASP P  44      15.104   9.659   4.300  1.00 11.33           O  
-ATOM    186  CB  ASP P  44      13.062   8.470   5.893  1.00 13.20           C  
-ATOM    187  CG  ASP P  44      11.678   7.861   6.084  1.00 13.63           C  
-ATOM    188  OD1 ASP P  44      11.086   8.090   7.150  1.00 14.27           O  
-ATOM    189  OD2 ASP P  44      11.186   7.170   5.171  1.00 16.80           O  
-ATOM    190  N   VAL P  45      16.341   7.800   4.378  1.00 12.72           N  
-ATOM    191  CA  VAL P  45      17.534   8.514   3.933  1.00 13.33           C  
-ATOM    192  C   VAL P  45      17.322   9.239   2.598  1.00 12.36           C  
-ATOM    193  O   VAL P  45      17.775  10.372   2.435  1.00 12.19           O  
-ATOM    194  CB  VAL P  45      18.787   7.582   3.858  1.00 13.87           C  
-ATOM    195  CG1 VAL P  45      19.926   8.221   3.048  1.00 15.40           C  
-ATOM    196  CG2 VAL P  45      19.275   7.239   5.255  1.00 15.56           C  
-ATOM    197  N   LYS P  46      16.610   8.601   1.665  1.00 11.73           N  
-ATOM    198  CA  LYS P  46      16.421   9.172   0.326  1.00 12.30           C  
-ATOM    199  C   LYS P  46      15.384  10.288   0.270  1.00 11.23           C  
-ATOM    200  O   LYS P  46      15.347  11.049  -0.699  1.00 12.10           O  
-ATOM    201  CB  LYS P  46      16.044   8.091  -0.688  1.00 14.05           C  
-ATOM    202  CG  LYS P  46      17.054   6.971  -0.804  1.00 16.22           C  
-ATOM    203  CD  LYS P  46      16.792   6.103  -2.024  1.00 22.46           C  
-ATOM    204  CE  LYS P  46      17.834   6.349  -3.102  1.00 25.81           C  
-ATOM    205  NZ  LYS P  46      19.199   5.946  -2.645  1.00 28.23           N  
-ATOM    206  N   ALA P  47      14.538  10.391   1.289  1.00  9.08           N  
-ATOM    207  CA  ALA P  47      13.509  11.431   1.307  1.00  8.71           C  
-ATOM    208  C   ALA P  47      14.119  12.789   1.597  1.00  7.59           C  
-ATOM    209  O   ALA P  47      15.084  12.883   2.361  1.00  8.54           O  
-ATOM    210  CB  ALA P  47      12.505  11.102   2.376  1.00  9.05           C  
-ATOM    211  N   GLN P  48      13.535  13.859   1.061  1.00  7.26           N  
-ATOM    212  CA  GLN P  48      13.923  15.175   1.542  1.00  7.69           C  
-ATOM    213  C   GLN P  48      13.346  15.416   2.932  1.00  7.14           C  
-ATOM    214  O   GLN P  48      12.256  14.936   3.274  1.00  7.10           O  
-ATOM    215  CB  GLN P  48      13.560  16.315   0.573  1.00  8.72           C  
-ATOM    216  CG  GLN P  48      12.074  16.654   0.530  1.00  8.69           C  
-ATOM    217  CD  GLN P  48      11.744  17.916  -0.261  1.00  8.89           C  
-ATOM    218  OE1 GLN P  48      10.653  18.488  -0.131  1.00 11.12           O  
-ATOM    219  NE2 GLN P  48      12.644  18.320  -1.125  1.00 11.42           N  
-ATOM    220  N   LYS P  49      14.106  16.165   3.709  1.00  6.51           N  
-ATOM    221  CA  LYS P  49      13.651  16.663   4.991  1.00  6.65           C  
-ATOM    222  C   LYS P  49      13.588  18.165   4.893  1.00  6.49           C  
-ATOM    223  O   LYS P  49      14.146  18.747   3.970  1.00  7.08           O  
-ATOM    224  CB  LYS P  49      14.548  16.203   6.151  1.00  7.30           C  
-ATOM    225  CG  LYS P  49      14.573  14.692   6.358  1.00  9.51           C  
-ATOM    226  CD  LYS P  49      15.710  14.063   5.512  1.00 11.33           C  
-ATOM    227  CE  LYS P  49      15.645  12.556   5.525  1.00 11.17           C  
-ATOM    228  NZ  LYS P  49      16.622  12.123   4.521  1.00  8.55           N  
-ATOM    229  N   VAL P  50      12.863  18.793   5.814  1.00  6.66           N  
-ATOM    230  CA  VAL P  50      12.579  20.214   5.725  1.00  7.54           C  
-ATOM    231  C   VAL P  50      12.699  20.841   7.107  1.00  7.39           C  
-ATOM    232  O   VAL P  50      12.288  20.260   8.109  1.00  7.91           O  
-ATOM    233  CB  VAL P  50      11.139  20.424   5.136  1.00  8.45           C  
-ATOM    234  CG1 VAL P  50      10.716  21.877   5.153  1.00 10.10           C  
-ATOM    235  CG2 VAL P  50      11.060  19.859   3.696  1.00 10.62           C  
-ATOM    236  N   TRP P  51      13.269  22.042   7.154  1.00  5.97           N  
-ATOM    237  CA  TRP P  51      13.220  22.909   8.341  1.00  6.72           C  
-ATOM    238  C   TRP P  51      12.172  23.960   8.053  1.00  6.61           C  
-ATOM    239  O   TRP P  51      12.192  24.594   6.989  1.00  6.90           O  
-ATOM    240  CB  TRP P  51      14.569  23.581   8.522  1.00  7.64           C  
-ATOM    241  CG  TRP P  51      14.685  24.582   9.643  1.00  7.43           C  
-ATOM    242  CD1 TRP P  51      14.814  25.928   9.497  1.00  8.46           C  
-ATOM    243  CD2 TRP P  51      14.746  24.324  11.055  1.00  7.92           C  
-ATOM    244  NE1 TRP P  51      14.942  26.535  10.735  1.00  8.48           N  
-ATOM    245  CE2 TRP P  51      14.928  25.567  11.704  1.00  8.00           C  
-ATOM    246  CE3 TRP P  51      14.662  23.165  11.832  1.00  7.76           C  
-ATOM    247  CZ2 TRP P  51      15.029  25.687  13.082  1.00  8.03           C  
-ATOM    248  CZ3 TRP P  51      14.771  23.282  13.226  1.00  8.54           C  
-ATOM    249  CH2 TRP P  51      14.961  24.538  13.829  1.00  8.88           C  
-ATOM    250  N   CYS P  52      11.229  24.104   8.973  1.00  6.95           N  
-ATOM    251  CA  CYS P  52      10.097  24.992   8.772  1.00  6.69           C  
-ATOM    252  C   CYS P  52       9.840  25.827   9.996  1.00  6.25           C  
-ATOM    253  O   CYS P  52      10.256  25.482  11.104  1.00  6.67           O  
-ATOM    254  CB  CYS P  52       8.831  24.209   8.391  1.00  7.24           C  
-ATOM    255  SG  CYS P  52       8.251  22.980   9.604  1.00  8.98           S  
-ATOM    256  N   ARG P  53       9.175  26.962   9.790  1.00  6.44           N  
-ATOM    257  CA  ARG P  53       8.813  27.848  10.888  1.00  6.96           C  
-ATOM    258  C   ARG P  53       7.318  27.830  11.109  1.00  6.69           C  
-ATOM    259  O   ARG P  53       6.553  28.054  10.175  1.00  6.92           O  
-ATOM    260  CB  ARG P  53       9.285  29.271  10.580  1.00  7.53           C  
-ATOM    261  CG  ARG P  53       9.083  30.239  11.730  1.00  8.34           C  
-ATOM    262  CD  ARG P  53       9.739  31.565  11.421  1.00 10.75           C  
-ATOM    263  NE  ARG P  53       9.802  32.402  12.613  1.00 10.51           N  
-ATOM    264  CZ  ARG P  53      10.632  33.434  12.762  1.00 10.48           C  
-ATOM    265  NH1 ARG P  53      11.469  33.775  11.790  1.00 11.00           N  
-ATOM    266  NH2 ARG P  53      10.632  34.120  13.888  1.00 12.18           N  
-ATOM    267  N   PHE P  54       6.886  27.598  12.348  1.00  6.60           N  
-ATOM    268  CA  PHE P  54       5.455  27.620  12.664  1.00  6.93           C  
-ATOM    269  C   PHE P  54       4.924  29.037  12.633  1.00  7.49           C  
-ATOM    270  O   PHE P  54       5.341  29.898  13.408  1.00  8.56           O  
-ATOM    271  CB  PHE P  54       5.167  26.961  14.009  1.00  7.33           C  
-ATOM    272  CG  PHE P  54       5.324  25.471  14.004  1.00  6.45           C  
-ATOM    273  CD1 PHE P  54       6.443  24.852  14.558  1.00  7.90           C  
-ATOM    274  CD2 PHE P  54       4.323  24.674  13.440  1.00  8.36           C  
-ATOM    275  CE1 PHE P  54       6.548  23.457  14.564  1.00  8.19           C  
-ATOM    276  CE2 PHE P  54       4.431  23.290  13.433  1.00  7.89           C  
-ATOM    277  CZ  PHE P  54       5.541  22.683  14.024  1.00  9.24           C  
-ATOM    278  N   LEU P  55       3.989  29.260  11.728  1.00  7.75           N  
-ATOM    279  CA  LEU P  55       3.338  30.544  11.539  1.00  9.44           C  
-ATOM    280  C   LEU P  55       1.821  30.285  11.635  1.00  9.74           C  
-ATOM    281  O   LEU P  55       1.402  29.131  11.692  1.00  9.51           O  
-ATOM    282  CB  LEU P  55       3.765  31.114  10.173  1.00 10.65           C  
-ATOM    283  CG  LEU P  55       5.249  31.504  10.029  1.00 13.08           C  
-ATOM    284  CD1 LEU P  55       5.541  31.975   8.622  1.00 15.62           C  
-ATOM    285  CD2 LEU P  55       5.690  32.548  11.052  1.00 15.77           C  
-ATOM    286  N   PRO P  56       0.989  31.341  11.694  1.00 10.42           N  
-ATOM    287  CA  PRO P  56      -0.464  31.088  11.853  1.00 11.29           C  
-ATOM    288  C   PRO P  56      -1.070  30.120  10.836  1.00 11.43           C  
-ATOM    289  O   PRO P  56      -1.981  29.364  11.174  1.00 12.50           O  
-ATOM    290  CB  PRO P  56      -1.079  32.493  11.747  1.00 11.77           C  
-ATOM    291  CG  PRO P  56      -0.016  33.375  12.247  1.00 12.56           C  
-ATOM    292  CD  PRO P  56       1.283  32.789  11.745  1.00 11.35           C  
-ATOM    293  N   GLU P  57      -0.549  30.093   9.613  1.00 11.27           N  
-ATOM    294  CA  GLU P  57      -1.100  29.177   8.596  1.00 12.37           C  
-ATOM    295  C   GLU P  57      -0.645  27.712   8.724  1.00 11.08           C  
-ATOM    296  O   GLU P  57      -1.378  26.798   8.312  1.00 10.85           O  
-ATOM    297  CB  GLU P  57      -0.817  29.705   7.183  1.00 13.72           C  
-ATOM    298  CG  GLU P  57      -1.311  28.826   6.013  1.00 17.42           C  
-ATOM    299  CD  GLU P  57      -2.826  28.579   5.985  1.00 21.72           C  
-ATOM    300  OE1 GLU P  57      -3.605  29.406   6.525  1.00 24.14           O  
-ATOM    301  OE2 GLU P  57      -3.237  27.548   5.401  1.00 23.18           O  
-ATOM    302  N   GLY P  58       0.551  27.493   9.268  1.00  9.45           N  
-ATOM    303  CA  GLY P  58       1.158  26.171   9.271  1.00  9.07           C  
-ATOM    304  C   GLY P  58       2.658  26.311   9.400  1.00  7.88           C  
-ATOM    305  O   GLY P  58       3.183  27.422   9.591  1.00  8.60           O  
-ATOM    306  N   CYS P  59       3.351  25.186   9.340  1.00  8.07           N  
-ATOM    307  CA  CYS P  59       4.806  25.189   9.430  1.00  8.30           C  
-ATOM    308  C   CYS P  59       5.362  25.491   8.052  1.00  8.15           C  
-ATOM    309  O   CYS P  59       5.374  24.620   7.176  1.00  9.58           O  
-ATOM    310  CB  CYS P  59       5.312  23.849   9.970  1.00  8.44           C  
-ATOM    311  SG  CYS P  59       6.953  24.019  10.795  1.00  8.54           S  
-ATOM    312  N   GLN P  60       5.802  26.732   7.879  1.00  7.75           N  
-ATOM    313  CA  GLN P  60       6.240  27.258   6.580  1.00  8.77           C  
-ATOM    314  C   GLN P  60       7.616  26.709   6.226  1.00  7.21           C  
-ATOM    315  O   GLN P  60       8.565  26.968   6.950  1.00  7.01           O  
-ATOM    316  CB  GLN P  60       6.324  28.793   6.663  1.00  8.87           C  
-ATOM    317  CG  GLN P  60       6.844  29.462   5.393  1.00 14.40           C  
-ATOM    318  CD  GLN P  60       5.746  29.855   4.414  1.00 20.48           C  
-ATOM    319  OE1 GLN P  60       4.585  29.441   4.546  1.00 24.04           O  
-ATOM    320  NE2 GLN P  60       6.105  30.669   3.428  1.00 24.17           N  
-ATOM    321  N   PRO P  61       7.745  25.953   5.119  1.00  7.66           N  
-ATOM    322  CA  PRO P  61       9.074  25.443   4.772  1.00  8.70           C  
-ATOM    323  C   PRO P  61      10.087  26.541   4.479  1.00  8.13           C  
-ATOM    324  O   PRO P  61       9.788  27.470   3.727  1.00  9.17           O  
-ATOM    325  CB  PRO P  61       8.802  24.619   3.509  1.00  9.19           C  
-ATOM    326  CG  PRO P  61       7.357  24.253   3.603  1.00 11.60           C  
-ATOM    327  CD  PRO P  61       6.715  25.471   4.182  1.00  9.34           C  
-ATOM    328  N   LEU P  62      11.272  26.426   5.071  1.00  7.56           N  
-ATOM    329  CA  LEU P  62      12.353  27.393   4.845  1.00  7.28           C  
-ATOM    330  C   LEU P  62      13.451  26.808   3.972  1.00  7.44           C  
-ATOM    331  O   LEU P  62      13.997  27.509   3.117  1.00  8.70           O  
-ATOM    332  CB  LEU P  62      12.946  27.879   6.177  1.00  7.90           C  
-ATOM    333  CG  LEU P  62      11.959  28.556   7.135  1.00  9.57           C  
-ATOM    334  CD1 LEU P  62      12.610  28.887   8.467  1.00 10.06           C  
-ATOM    335  CD2 LEU P  62      11.329  29.797   6.513  1.00 13.13           C  
-ATOM    336  N   VAL P  63      13.755  25.515   4.131  1.00  6.75           N  
-ATOM    337  CA  VAL P  63      14.768  24.872   3.306  1.00  7.40           C  
-ATOM    338  C   VAL P  63      14.568  23.374   3.355  1.00  7.19           C  
-ATOM    339  O   VAL P  63      14.114  22.834   4.383  1.00  7.34           O  
-ATOM    340  CB  VAL P  63      16.203  25.290   3.744  1.00  8.00           C  
-ATOM    341  CG1 VAL P  63      16.544  24.723   5.139  1.00 10.77           C  
-ATOM    342  CG2 VAL P  63      17.237  24.933   2.661  1.00 10.54           C  
-ATOM    343  N   SER P  64      14.892  22.709   2.251  1.00  6.68           N  
-ATOM    344  CA  SER P  64      14.901  21.261   2.232  1.00  7.26           C  
-ATOM    345  C   SER P  64      16.340  20.735   2.192  1.00  6.90           C  
-ATOM    346  O   SER P  64      17.282  21.445   1.832  1.00  7.55           O  
-ATOM    347  CB  SER P  64      14.076  20.707   1.073  1.00  9.42           C  
-ATOM    348  OG  SER P  64      14.585  21.139  -0.153  1.00  9.51           O  
-ATOM    349  N   SER P  65      16.491  19.467   2.544  1.00  6.22           N  
-ATOM    350  CA  SER P  65      17.793  18.855   2.721  1.00  6.80           C  
-ATOM    351  C   SER P  65      18.290  18.107   1.510  1.00  7.08           C  
-ATOM    352  O   SER P  65      17.521  17.730   0.627  1.00  7.54           O  
-ATOM    353  CB  SER P  65      17.721  17.904   3.925  1.00  7.00           C  
-ATOM    354  OG  SER P  65      16.900  16.780   3.623  1.00  7.89           O  
-ATOM    355  N   ALA P  66      19.596  17.887   1.495  1.00  6.55           N  
-ATOM    356  CA  ALA P  66      20.269  17.003   0.536  1.00  7.93           C  
-ATOM    357  C   ALA P  66      21.422  16.355   1.266  1.00  7.76           C  
-ATOM    358  O   ALA P  66      22.118  17.011   2.050  1.00  7.41           O  
-ATOM    359  CB  ALA P  66      20.750  17.771  -0.674  1.00  9.73           C  
-ATOM    360  N   VAL P  67      21.620  15.055   1.043  1.00  8.68           N  
-ATOM    361  CA  VAL P  67      22.597  14.312   1.832  1.00  8.86           C  
-ATOM    362  C   VAL P  67      24.000  14.902   1.661  1.00  7.56           C  
-ATOM    363  O   VAL P  67      24.494  15.099   0.534  1.00  8.02           O  
-ATOM    364  CB  VAL P  67      22.581  12.813   1.493  1.00  9.93           C  
-ATOM    365  CG1 VAL P  67      23.728  12.104   2.193  1.00 11.96           C  
-ATOM    366  CG2 VAL P  67      21.248  12.199   1.913  1.00 12.55           C  
-ATOM    367  N   ASP P  68      24.604  15.203   2.812  1.00  7.59           N  
-ATOM    368  CA  ASP P  68      25.946  15.758   2.978  1.00  7.72           C  
-ATOM    369  C   ASP P  68      26.088  17.214   2.621  1.00  7.30           C  
-ATOM    370  O   ASP P  68      27.184  17.761   2.717  1.00  8.35           O  
-ATOM    371  CB  ASP P  68      27.030  14.921   2.290  1.00  9.27           C  
-ATOM    372  CG  ASP P  68      28.261  14.753   3.165  1.00 10.15           C  
-ATOM    373  OD1 ASP P  68      28.167  14.957   4.391  1.00 12.14           O  
-ATOM    374  OD2 ASP P  68      29.324  14.407   2.628  1.00 15.24           O  
-ATOM    375  N   ARG P  69      24.989  17.860   2.248  1.00  7.00           N  
-ATOM    376  CA  ARG P  69      25.041  19.252   1.846  1.00  7.33           C  
-ATOM    377  C   ARG P  69      24.547  20.135   2.982  1.00  7.25           C  
-ATOM    378  O   ARG P  69      23.520  19.858   3.613  1.00  7.62           O  
-ATOM    379  CB  ARG P  69      24.141  19.480   0.621  1.00  7.64           C  
-ATOM    380  CG  ARG P  69      24.399  18.581  -0.566  1.00  9.96           C  
-ATOM    381  CD  ARG P  69      25.824  18.732  -1.004  1.00 11.09           C  
-ATOM    382  NE  ARG P  69      26.179  18.077  -2.274  1.00 11.79           N  
-ATOM    383  CZ  ARG P  69      26.479  16.780  -2.422  1.00 10.89           C  
-ATOM    384  NH1 ARG P  69      26.426  15.933  -1.392  1.00 12.92           N  
-ATOM    385  NH2 ARG P  69      26.887  16.338  -3.609  1.00 11.27           N  
-ATOM    386  N   ARG P  70      25.272  21.228   3.204  1.00  6.84           N  
-ATOM    387  CA  ARG P  70      24.845  22.232   4.169  1.00  7.55           C  
-ATOM    388  C   ARG P  70      23.921  23.194   3.427  1.00  7.77           C  
-ATOM    389  O   ARG P  70      24.379  24.006   2.637  1.00  9.62           O  
-ATOM    390  CB  ARG P  70      26.071  22.949   4.739  1.00  7.50           C  
-ATOM    391  CG  ARG P  70      25.758  23.898   5.895  1.00  8.33           C  
-ATOM    392  CD  ARG P  70      27.066  24.493   6.423  1.00  8.82           C  
-ATOM    393  NE  ARG P  70      26.925  25.222   7.688  1.00  8.72           N  
-ATOM    394  CZ  ARG P  70      27.170  26.513   7.849  1.00 11.12           C  
-ATOM    395  NH1 ARG P  70      27.451  27.285   6.812  1.00 11.81           N  
-ATOM    396  NH2 ARG P  70      27.090  27.042   9.063  1.00 12.93           N  
-ATOM    397  N   ALA P  71      22.628  23.079   3.699  1.00  7.67           N  
-ATOM    398  CA  ALA P  71      21.611  23.813   2.963  1.00  7.98           C  
-ATOM    399  C   ALA P  71      21.183  25.067   3.726  1.00  7.78           C  
-ATOM    400  O   ALA P  71      20.681  24.979   4.848  1.00  7.46           O  
-ATOM    401  CB  ALA P  71      20.421  22.903   2.730  1.00  7.15           C  
-ATOM    402  N   PRO P  72      21.384  26.261   3.137  1.00  8.34           N  
-ATOM    403  CA  PRO P  72      21.025  27.471   3.881  1.00 10.01           C  
-ATOM    404  C   PRO P  72      19.543  27.826   3.853  1.00 10.58           C  
-ATOM    405  O   PRO P  72      18.865  27.703   2.831  1.00 11.46           O  
-ATOM    406  CB  PRO P  72      21.833  28.585   3.176  1.00 11.02           C  
-ATOM    407  CG  PRO P  72      22.712  27.904   2.228  1.00 13.62           C  
-ATOM    408  CD  PRO P  72      22.079  26.589   1.883  1.00  9.51           C  
-ATOM    409  N   ALA P  73      19.070  28.298   4.994  1.00 12.09           N  
-ATOM    410  CA  ALA P  73      17.844  29.072   5.042  1.00 14.73           C  
-ATOM    411  C   ALA P  73      18.233  30.473   5.525  1.00 15.18           C  
-ATOM    412  O   ALA P  73      19.054  30.615   6.443  1.00 17.94           O  
-ATOM    413  CB  ALA P  73      16.867  28.425   5.985  1.00 15.01           C  
-ATOM    414  N   GLY P  74      17.629  31.508   4.961  1.00 18.28           N  
-ATOM    415  CA  GLY P  74      17.956  32.864   5.373  1.00 19.11           C  
-ATOM    416  C   GLY P  74      19.453  33.099   5.337  1.00 19.81           C  
-ATOM    417  O   GLY P  74      20.128  32.684   4.405  1.00 21.17           O  
-ATOM    418  N   ARG P  75      19.973  33.762   6.365  1.00 18.89           N  
-ATOM    419  CA  ARG P  75      21.396  34.110   6.435  1.00 18.28           C  
-ATOM    420  C   ARG P  75      22.120  33.381   7.563  1.00 17.18           C  
-ATOM    421  O   ARG P  75      23.357  33.326   7.612  1.00 17.57           O  
-ATOM    422  CB  ARG P  75      21.535  35.616   6.656  1.00 19.48           C  
-ATOM    423  CG  ARG P  75      20.961  36.441   5.531  1.00 23.02           C  
-ATOM    424  CD  ARG P  75      20.404  37.749   6.035  1.00 28.14           C  
-ATOM    425  NE  ARG P  75      19.437  38.295   5.084  1.00 31.58           N  
-ATOM    426  CZ  ARG P  75      18.742  39.413   5.268  1.00 32.99           C  
-ATOM    427  NH1 ARG P  75      18.897  40.135   6.372  1.00 34.13           N  
-ATOM    428  NH2 ARG P  75      17.889  39.812   4.338  1.00 34.45           N  
-ATOM    429  N   ARG P  76      21.344  32.814   8.478  1.00 14.52           N  
-ATOM    430  CA  ARG P  76      21.924  32.331   9.708  1.00 14.16           C  
-ATOM    431  C   ARG P  76      21.538  30.914  10.093  1.00 12.03           C  
-ATOM    432  O   ARG P  76      21.945  30.448  11.132  1.00 11.38           O  
-ATOM    433  CB  ARG P  76      21.614  33.337  10.814  1.00 14.98           C  
-ATOM    434  CG  ARG P  76      22.481  34.611  10.687  1.00 18.12           C  
-ATOM    435  CD  ARG P  76      22.030  35.784  11.524  1.00 19.05           C  
-ATOM    436  NE  ARG P  76      20.737  36.283  11.083  1.00 23.98           N  
-ATOM    437  CZ  ARG P  76      19.592  35.972  11.676  1.00 21.64           C  
-ATOM    438  NH1 ARG P  76      19.607  35.182  12.733  1.00 25.49           N  
-ATOM    439  NH2 ARG P  76      18.442  36.460  11.220  1.00 24.04           N  
-ATOM    440  N   THR P  77      20.790  30.235   9.230  1.00 10.39           N  
-ATOM    441  CA  THR P  77      20.312  28.892   9.517  1.00 10.26           C  
-ATOM    442  C   THR P  77      20.777  27.960   8.422  1.00  9.15           C  
-ATOM    443  O   THR P  77      20.751  28.304   7.232  1.00 10.24           O  
-ATOM    444  CB  THR P  77      18.776  28.856   9.596  1.00 10.88           C  
-ATOM    445  OG1 THR P  77      18.344  29.706  10.659  1.00 14.39           O  
-ATOM    446  CG2 THR P  77      18.261  27.441   9.849  1.00 11.65           C  
-ATOM    447  N   PHE P  78      21.167  26.767   8.837  1.00  7.86           N  
-ATOM    448  CA  PHE P  78      21.681  25.747   7.923  1.00  7.85           C  
-ATOM    449  C   PHE P  78      21.154  24.390   8.333  1.00  7.56           C  
-ATOM    450  O   PHE P  78      21.106  24.061   9.524  1.00  8.30           O  
-ATOM    451  CB  PHE P  78      23.213  25.769   7.883  1.00  8.87           C  
-ATOM    452  CG  PHE P  78      23.752  27.118   7.562  1.00 10.26           C  
-ATOM    453  CD1 PHE P  78      24.013  28.030   8.578  1.00 10.73           C  
-ATOM    454  CD2 PHE P  78      23.942  27.503   6.247  1.00 11.88           C  
-ATOM    455  CE1 PHE P  78      24.478  29.300   8.290  1.00 12.99           C  
-ATOM    456  CE2 PHE P  78      24.413  28.768   5.957  1.00 14.00           C  
-ATOM    457  CZ  PHE P  78      24.670  29.665   6.981  1.00 13.27           C  
-ATOM    458  N   LEU P  79      20.755  23.607   7.338  1.00  6.54           N  
-ATOM    459  CA  LEU P  79      20.227  22.268   7.511  1.00  7.17           C  
-ATOM    460  C   LEU P  79      21.098  21.267   6.783  1.00  6.80           C  
-ATOM    461  O   LEU P  79      21.206  21.347   5.556  1.00  6.60           O  
-ATOM    462  CB  LEU P  79      18.806  22.205   6.962  1.00  7.44           C  
-ATOM    463  CG  LEU P  79      18.088  20.863   7.100  1.00  8.03           C  
-ATOM    464  CD1 LEU P  79      17.772  20.597   8.565  1.00  9.99           C  
-ATOM    465  CD2 LEU P  79      16.793  20.847   6.274  1.00  8.50           C  
-ATOM    466  N   THR P  80      21.692  20.321   7.522  1.00  6.77           N  
-ATOM    467  CA  THR P  80      22.575  19.315   6.913  1.00  6.83           C  
-ATOM    468  C   THR P  80      22.105  17.912   7.234  1.00  6.57           C  
-ATOM    469  O   THR P  80      22.149  17.499   8.382  1.00  7.34           O  
-ATOM    470  CB  THR P  80      24.036  19.484   7.388  1.00  6.82           C  
-ATOM    471  OG1 THR P  80      24.458  20.847   7.230  1.00  7.32           O  
-ATOM    472  CG2 THR P  80      24.989  18.596   6.585  1.00  6.91           C  
-ATOM    473  N   ASP P  81      21.686  17.159   6.214  1.00  6.52           N  
-ATOM    474  CA  ASP P  81      21.392  15.740   6.391  1.00  6.84           C  
-ATOM    475  C   ASP P  81      22.717  14.991   6.280  1.00  7.15           C  
-ATOM    476  O   ASP P  81      23.346  14.986   5.213  1.00  7.76           O  
-ATOM    477  CB  ASP P  81      20.392  15.280   5.319  1.00  6.61           C  
-ATOM    478  CG  ASP P  81      19.996  13.829   5.465  1.00  7.56           C  
-ATOM    479  OD1 ASP P  81      20.576  13.123   6.329  1.00  7.61           O  
-ATOM    480  OD2 ASP P  81      19.105  13.407   4.695  1.00  9.12           O  
-ATOM    481  N   LEU P  82      23.191  14.427   7.391  1.00  7.39           N  
-ATOM    482  CA  LEU P  82      24.464  13.704   7.380  1.00  8.48           C  
-ATOM    483  C   LEU P  82      24.336  12.328   6.788  1.00  9.71           C  
-ATOM    484  O   LEU P  82      25.335  11.652   6.546  1.00 11.23           O  
-ATOM    485  CB  LEU P  82      25.069  13.580   8.787  1.00  9.17           C  
-ATOM    486  CG  LEU P  82      25.887  14.766   9.312  1.00  8.97           C  
-ATOM    487  CD1 LEU P  82      27.045  15.126   8.390  1.00  9.77           C  
-ATOM    488  CD2 LEU P  82      25.002  15.977   9.597  1.00  9.57           C  
-ATOM    489  N   GLY P  83      23.103  11.908   6.537  1.00  9.48           N  
-ATOM    490  CA  GLY P  83      22.857  10.498   6.266  1.00 11.53           C  
-ATOM    491  C   GLY P  83      22.646   9.750   7.567  1.00 10.62           C  
-ATOM    492  O   GLY P  83      22.806  10.294   8.665  1.00 11.67           O  
-ATOM    493  N   GLY P  84      22.296   8.483   7.453  1.00 11.41           N  
-ATOM    494  CA  GLY P  84      22.204   7.636   8.607  1.00 11.60           C  
-ATOM    495  C   GLY P  84      21.216   8.033   9.676  1.00 11.30           C  
-ATOM    496  O   GLY P  84      21.297   7.516  10.784  1.00 12.53           O  
-ATOM    497  N   GLY P  85      20.304   8.960   9.378  1.00 10.06           N  
-ATOM    498  CA  GLY P  85      19.294   9.337  10.360  1.00  9.30           C  
-ATOM    499  C   GLY P  85      19.528  10.655  11.075  1.00  8.56           C  
-ATOM    500  O   GLY P  85      18.677  11.069  11.842  1.00  9.41           O  
-ATOM    501  N   LEU P  86      20.671  11.299  10.848  1.00  8.27           N  
-ATOM    502  CA  LEU P  86      20.968  12.577  11.500  1.00  7.66           C  
-ATOM    503  C   LEU P  86      20.710  13.772  10.592  1.00  6.78           C  
-ATOM    504  O   LEU P  86      21.282  13.875   9.500  1.00  7.13           O  
-ATOM    505  CB  LEU P  86      22.419  12.627  11.984  1.00  7.87           C  
-ATOM    506  CG  LEU P  86      22.830  13.968  12.579  1.00  8.32           C  
-ATOM    507  CD1 LEU P  86      22.059  14.301  13.864  1.00  9.20           C  
-ATOM    508  CD2 LEU P  86      24.339  13.957  12.826  1.00  9.91           C  
-ATOM    509  N   LEU P  87      19.862  14.672  11.076  1.00  6.37           N  
-ATOM    510  CA  LEU P  87      19.597  15.962  10.468  1.00  7.81           C  
-ATOM    511  C   LEU P  87      20.088  17.071  11.387  1.00  8.01           C  
-ATOM    512  O   LEU P  87      19.435  17.372  12.387  1.00 10.23           O  
-ATOM    513  CB  LEU P  87      18.094  16.084  10.180  1.00  9.22           C  
-ATOM    514  CG  LEU P  87      17.550  17.211   9.289  1.00 10.25           C  
-ATOM    515  CD1 LEU P  87      18.098  17.143   7.852  1.00 10.49           C  
-ATOM    516  CD2 LEU P  87      15.997  17.163   9.319  1.00  9.68           C  
-ATOM    517  N   GLN P  88      21.241  17.639  11.061  1.00  7.58           N  
-ATOM    518  CA  GLN P  88      21.860  18.693  11.834  1.00  7.45           C  
-ATOM    519  C   GLN P  88      21.295  20.062  11.467  1.00  8.08           C  
-ATOM    520  O   GLN P  88      21.222  20.415  10.288  1.00  9.88           O  
-ATOM    521  CB  GLN P  88      23.368  18.658  11.592  1.00  7.33           C  
-ATOM    522  CG  GLN P  88      24.188  19.628  12.430  1.00  8.18           C  
-ATOM    523  CD  GLN P  88      24.129  19.291  13.924  1.00  7.61           C  
-ATOM    524  OE1 GLN P  88      23.543  20.029  14.749  1.00  8.88           O  
-ATOM    525  NE2 GLN P  88      24.667  18.151  14.267  1.00  8.00           N  
-ATOM    526  N   VAL P  89      20.889  20.817  12.474  1.00  7.04           N  
-ATOM    527  CA  VAL P  89      20.482  22.188  12.293  1.00  7.23           C  
-ATOM    528  C   VAL P  89      21.480  23.098  13.012  1.00  6.94           C  
-ATOM    529  O   VAL P  89      21.937  22.798  14.119  1.00  6.94           O  
-ATOM    530  CB  VAL P  89      19.057  22.395  12.852  1.00  7.92           C  
-ATOM    531  CG1 VAL P  89      18.606  23.842  12.711  1.00 10.35           C  
-ATOM    532  CG2 VAL P  89      18.066  21.467  12.158  1.00  9.45           C  
-ATOM    533  N   GLU P  90      21.825  24.199  12.350  1.00  6.69           N  
-ATOM    534  CA  GLU P  90      22.653  25.250  12.936  1.00  6.62           C  
-ATOM    535  C   GLU P  90      21.900  26.557  12.829  1.00  7.36           C  
-ATOM    536  O   GLU P  90      21.354  26.870  11.775  1.00  7.34           O  
-ATOM    537  CB  GLU P  90      23.968  25.392  12.164  1.00  7.56           C  
-ATOM    538  CG  GLU P  90      24.812  24.137  12.068  1.00  7.56           C  
-ATOM    539  CD  GLU P  90      25.886  24.291  11.020  1.00  8.07           C  
-ATOM    540  OE1 GLU P  90      25.721  23.736   9.914  1.00  7.84           O  
-ATOM    541  OE2 GLU P  90      26.838  25.055  11.267  1.00  9.06           O  
-ATOM    542  N   MET P  91      21.834  27.301  13.921  1.00  7.27           N  
-ATOM    543  CA  MET P  91      21.372  28.685  13.835  1.00  9.73           C  
-ATOM    544  C   MET P  91      22.420  29.523  14.520  1.00  9.13           C  
-ATOM    545  O   MET P  91      22.749  29.324  15.696  1.00  9.54           O  
-ATOM    546  CB  MET P  91      20.005  28.917  14.483  1.00  9.94           C  
-ATOM    547  CG  MET P  91      18.883  28.130  13.813  1.00 12.68           C  
-ATOM    548  SD  MET P  91      17.244  28.523  14.450  1.00 15.84           S  
-ATOM    549  CE  MET P  91      17.066  30.243  13.959  1.00 17.52           C  
-ATOM    550  N   VAL P  92      22.978  30.442  13.751  1.00  9.26           N  
-ATOM    551  CA  VAL P  92      24.176  31.132  14.152  1.00 11.37           C  
-ATOM    552  C   VAL P  92      23.915  32.605  14.369  1.00 11.54           C  
-ATOM    553  O   VAL P  92      23.089  33.229  13.688  1.00 13.06           O  
-ATOM    554  CB  VAL P  92      25.317  30.909  13.140  1.00 11.64           C  
-ATOM    555  CG1 VAL P  92      25.584  29.424  12.945  1.00 13.76           C  
-ATOM    556  CG2 VAL P  92      25.079  31.638  11.807  1.00 15.01           C  
-ATOM    557  N   THR P  93      24.620  33.164  15.348  1.00 11.41           N  
-ATOM    558  CA  THR P  93      24.530  34.587  15.660  1.00 12.29           C  
-ATOM    559  C   THR P  93      23.075  35.096  15.641  1.00 11.46           C  
-ATOM    560  O   THR P  93      22.687  35.960  14.859  1.00 11.88           O  
-ATOM    561  CB  THR P  93      25.489  35.425  14.784  1.00 12.58           C  
-ATOM    562  OG1 THR P  93      25.059  35.422  13.424  1.00 16.89           O  
-ATOM    563  CG2 THR P  93      26.929  34.888  14.872  1.00 15.42           C  
-ATOM    564  N   LEU P  94      22.304  34.558  16.576  1.00 10.64           N  
-ATOM    565  CA  LEU P  94      20.858  34.753  16.599  1.00 10.42           C  
-ATOM    566  C   LEU P  94      20.439  36.203  16.720  1.00 10.80           C  
-ATOM    567  O   LEU P  94      21.076  37.000  17.423  1.00 11.12           O  
-ATOM    568  CB  LEU P  94      20.250  33.940  17.735  1.00 10.66           C  
-ATOM    569  CG  LEU P  94      20.285  32.430  17.535  1.00 11.08           C  
-ATOM    570  CD1 LEU P  94      20.012  31.700  18.845  1.00 12.45           C  
-ATOM    571  CD2 LEU P  94      19.277  32.042  16.477  1.00 11.18           C  
-ATOM    572  N   GLN P  95      19.350  36.527  16.035  1.00 10.80           N  
-ATOM    573  CA  GLN P  95      18.801  37.871  16.070  1.00 12.44           C  
-ATOM    574  C   GLN P  95      17.422  37.812  16.734  1.00 11.93           C  
-ATOM    575  O   GLN P  95      16.796  36.746  16.804  1.00 11.39           O  
-ATOM    576  CB  GLN P  95      18.746  38.484  14.658  1.00 12.24           C  
-ATOM    577  CG  GLN P  95      20.130  38.558  13.983  1.00 15.10           C  
-ATOM    578  CD  GLN P  95      20.153  39.176  12.575  1.00 17.38           C  
-ATOM    579  OE1 GLN P  95      19.118  39.503  11.999  1.00 23.36           O  
-ATOM    580  NE2 GLN P  95      21.355  39.335  12.025  1.00 21.43           N  
-ATOM    581  N   GLU P  96      16.951  38.953  17.228  1.00 12.90           N  
-ATOM    582  CA  GLU P  96      15.682  39.017  17.953  1.00 14.32           C  
-ATOM    583  C   GLU P  96      14.533  38.390  17.161  1.00 14.24           C  
-ATOM    584  O   GLU P  96      13.694  37.662  17.706  1.00 14.08           O  
-ATOM    585  CB  GLU P  96      15.340  40.474  18.253  1.00 15.05           C  
-ATOM    586  CG  GLU P  96      14.513  40.647  19.519  1.00 19.71           C  
-ATOM    587  CD  GLU P  96      14.406  42.099  19.962  1.00 22.24           C  
-ATOM    588  OE1 GLU P  96      14.426  43.001  19.093  1.00 24.33           O  
-ATOM    589  OE2 GLU P  96      14.288  42.333  21.179  1.00 26.40           O  
-ATOM    590  N   GLU P  97      14.518  38.661  15.861  1.00 13.51           N  
-ATOM    591  CA  GLU P  97      13.416  38.237  15.022  1.00 13.74           C  
-ATOM    592  C   GLU P  97      13.410  36.735  14.783  1.00 12.85           C  
-ATOM    593  O   GLU P  97      12.449  36.221  14.218  1.00 13.17           O  
-ATOM    594  CB  GLU P  97      13.407  39.021  13.706  1.00 15.63           C  
-ATOM    595  CG  GLU P  97      14.596  38.768  12.801  1.00 17.73           C  
-ATOM    596  CD  GLU P  97      15.728  39.779  12.980  1.00 20.29           C  
-ATOM    597  OE1 GLU P  97      16.538  39.905  12.036  1.00 23.02           O  
-ATOM    598  OE2 GLU P  97      15.810  40.449  14.040  1.00 20.58           O  
-ATOM    599  N   ASP P  98      14.466  36.031  15.190  1.00 11.57           N  
-ATOM    600  CA  ASP P  98      14.510  34.572  15.070  1.00 10.93           C  
-ATOM    601  C   ASP P  98      13.649  33.863  16.103  1.00  9.90           C  
-ATOM    602  O   ASP P  98      13.424  32.665  15.973  1.00 10.48           O  
-ATOM    603  CB  ASP P  98      15.952  34.060  15.169  1.00 11.19           C  
-ATOM    604  CG  ASP P  98      16.838  34.605  14.070  1.00 12.79           C  
-ATOM    605  OD1 ASP P  98      16.308  34.928  12.975  1.00 15.02           O  
-ATOM    606  OD2 ASP P  98      18.063  34.717  14.299  1.00 12.39           O  
-ATOM    607  N   ALA P  99      13.217  34.558  17.154  1.00  9.75           N  
-ATOM    608  CA  ALA P  99      12.381  33.941  18.174  1.00  9.72           C  
-ATOM    609  C   ALA P  99      11.120  33.355  17.556  1.00  9.81           C  
-ATOM    610  O   ALA P  99      10.484  33.991  16.713  1.00 10.64           O  
-ATOM    611  CB  ALA P  99      12.015  34.977  19.232  1.00 10.81           C  
-ATOM    612  N   GLY P 100      10.747  32.155  17.986  1.00  8.84           N  
-ATOM    613  CA  GLY P 100       9.546  31.494  17.481  1.00  8.73           C  
-ATOM    614  C   GLY P 100       9.738  30.008  17.618  1.00  8.03           C  
-ATOM    615  O   GLY P 100      10.684  29.542  18.266  1.00  9.93           O  
-ATOM    616  N   GLU P 101       8.843  29.257  16.993  1.00  6.57           N  
-ATOM    617  CA  GLU P 101       8.908  27.811  17.033  1.00  6.54           C  
-ATOM    618  C   GLU P 101       9.091  27.280  15.612  1.00  6.12           C  
-ATOM    619  O   GLU P 101       8.512  27.801  14.655  1.00  6.67           O  
-ATOM    620  CB  GLU P 101       7.684  27.223  17.728  1.00  6.96           C  
-ATOM    621  CG  GLU P 101       7.853  25.734  18.029  1.00  7.05           C  
-ATOM    622  CD  GLU P 101       6.820  25.189  18.973  1.00  8.05           C  
-ATOM    623  OE1 GLU P 101       6.477  24.016  18.858  1.00  8.23           O  
-ATOM    624  OE2 GLU P 101       6.380  25.924  19.858  1.00 12.76           O  
-ATOM    625  N   TYR P 102       9.895  26.223  15.511  1.00  5.49           N  
-ATOM    626  CA  TYR P 102      10.326  25.636  14.255  1.00  5.71           C  
-ATOM    627  C   TYR P 102      10.099  24.139  14.286  1.00  5.55           C  
-ATOM    628  O   TYR P 102       9.958  23.557  15.359  1.00  6.09           O  
-ATOM    629  CB  TYR P 102      11.817  25.897  14.052  1.00  6.44           C  
-ATOM    630  CG  TYR P 102      12.172  27.368  13.952  1.00  6.25           C  
-ATOM    631  CD1 TYR P 102      12.308  27.985  12.727  1.00  7.11           C  
-ATOM    632  CD2 TYR P 102      12.361  28.143  15.097  1.00  6.80           C  
-ATOM    633  CE1 TYR P 102      12.629  29.339  12.643  1.00  7.39           C  
-ATOM    634  CE2 TYR P 102      12.678  29.491  15.018  1.00  7.36           C  
-ATOM    635  CZ  TYR P 102      12.804  30.080  13.782  1.00  8.26           C  
-ATOM    636  OH  TYR P 102      13.133  31.421  13.668  1.00  8.58           O  
-ATOM    637  N   GLY P 103      10.072  23.511  13.108  1.00  6.17           N  
-ATOM    638  CA  GLY P 103       9.974  22.073  13.020  1.00  6.86           C  
-ATOM    639  C   GLY P 103      10.980  21.517  12.046  1.00  6.29           C  
-ATOM    640  O   GLY P 103      11.414  22.177  11.104  1.00  6.86           O  
-ATOM    641  N   CYS P 104      11.379  20.285  12.306  1.00  6.29           N  
-ATOM    642  CA  CYS P 104      12.016  19.385  11.333  1.00  6.89           C  
-ATOM    643  C   CYS P 104      10.949  18.434  10.866  1.00  6.11           C  
-ATOM    644  O   CYS P 104      10.271  17.819  11.690  1.00  6.55           O  
-ATOM    645  CB  CYS P 104      13.112  18.542  12.006  1.00  7.98           C  
-ATOM    646  SG  CYS P 104      14.631  19.412  12.387  1.00  8.86           S  
-ATOM    647  N   MET P 105      10.845  18.299   9.550  1.00  7.07           N  
-ATOM    648  CA  MET P 105       9.898  17.366   8.943  1.00  8.44           C  
-ATOM    649  C   MET P 105      10.600  16.423   7.989  1.00  7.02           C  
-ATOM    650  O   MET P 105      11.618  16.766   7.369  1.00  7.82           O  
-ATOM    651  CB  MET P 105       8.820  18.110   8.152  1.00  9.52           C  
-ATOM    652  CG  MET P 105       7.974  19.076   8.934  1.00 12.51           C  
-ATOM    653  SD  MET P 105       6.525  19.708   8.068  1.00 14.73           S  
-ATOM    654  CE  MET P 105       7.318  20.477   6.695  1.00 16.30           C  
-ATOM    655  N   VAL P 106      10.047  15.224   7.849  1.00  6.42           N  
-ATOM    656  CA  VAL P 106      10.427  14.318   6.774  1.00  7.03           C  
-ATOM    657  C   VAL P 106       9.301  14.322   5.761  1.00  5.98           C  
-ATOM    658  O   VAL P 106       8.131  14.322   6.120  1.00  6.92           O  
-ATOM    659  CB  VAL P 106      10.785  12.887   7.279  1.00  7.94           C  
-ATOM    660  CG1 VAL P 106       9.614  12.242   8.030  1.00  8.87           C  
-ATOM    661  CG2 VAL P 106      11.277  12.009   6.124  1.00  8.32           C  
-ATOM    662  N   ASP P 107       9.666  14.353   4.482  1.00  7.12           N  
-ATOM    663  CA  ASP P 107       8.692  14.527   3.417  1.00  7.21           C  
-ATOM    664  C   ASP P 107       8.893  13.495   2.324  1.00  8.84           C  
-ATOM    665  O   ASP P 107       9.107  13.867   1.173  1.00  9.91           O  
-ATOM    666  CB  ASP P 107       8.799  15.951   2.844  1.00  8.68           C  
-ATOM    667  CG  ASP P 107       7.751  16.252   1.795  1.00  9.56           C  
-ATOM    668  OD1 ASP P 107       8.056  17.002   0.844  1.00 10.04           O  
-ATOM    669  OD2 ASP P 107       6.618  15.751   1.949  1.00  9.71           O  
-ATOM    670  N   GLY P 108       8.779  12.222   2.658  1.00 10.08           N  
-ATOM    671  CA  GLY P 108       8.996  11.164   1.668  1.00 10.60           C  
-ATOM    672  C   GLY P 108       7.722  10.520   1.185  1.00 10.98           C  
-ATOM    673  O   GLY P 108       6.628  11.030   1.404  1.00  9.86           O  
-ATOM    674  N   ALA P 109       7.864   9.372   0.532  1.00 12.55           N  
-ATOM    675  CA  ALA P 109       6.751   8.810  -0.200  1.00 12.96           C  
-ATOM    676  C   ALA P 109       5.598   8.310   0.665  1.00 13.00           C  
-ATOM    677  O   ALA P 109       4.488   8.193   0.149  1.00 13.88           O  
-ATOM    678  CB  ALA P 109       7.218   7.729  -1.166  1.00 14.15           C  
-ATOM    679  N   ARG P 110       5.832   8.022   1.956  1.00 11.79           N  
-ATOM    680  CA  ARG P 110       4.730   7.590   2.831  1.00 11.74           C  
-ATOM    681  C   ARG P 110       4.039   8.739   3.552  1.00 10.62           C  
-ATOM    682  O   ARG P 110       3.257   8.502   4.472  1.00 11.92           O  
-ATOM    683  CB  ARG P 110       5.165   6.524   3.845  1.00 13.39           C  
-ATOM    684  CG  ARG P 110       5.533   5.216   3.176  1.00 14.15           C  
-ATOM    685  CD  ARG P 110       5.568   4.097   4.164  1.00 15.86           C  
-ATOM    686  NE  ARG P 110       6.354   2.981   3.662  1.00 17.03           N  
-ATOM    687  CZ  ARG P 110       5.848   1.940   3.014  1.00 13.28           C  
-ATOM    688  NH1 ARG P 110       6.659   0.986   2.590  1.00 15.22           N  
-ATOM    689  NH2 ARG P 110       4.536   1.853   2.786  1.00 12.29           N  
-ATOM    690  N   GLY P 111       4.338   9.977   3.174  1.00  8.81           N  
-ATOM    691  CA  GLY P 111       3.616  11.116   3.714  1.00  7.83           C  
-ATOM    692  C   GLY P 111       4.446  11.845   4.754  1.00  6.98           C  
-ATOM    693  O   GLY P 111       5.367  11.289   5.320  1.00  7.92           O  
-ATOM    694  N   PRO P 112       4.139  13.114   4.974  1.00  6.89           N  
-ATOM    695  CA  PRO P 112       4.997  13.947   5.813  1.00  7.15           C  
-ATOM    696  C   PRO P 112       4.775  13.706   7.297  1.00  7.51           C  
-ATOM    697  O   PRO P 112       3.663  13.400   7.740  1.00  7.27           O  
-ATOM    698  CB  PRO P 112       4.566  15.359   5.421  1.00  8.11           C  
-ATOM    699  CG  PRO P 112       3.117  15.225   5.058  1.00  8.48           C  
-ATOM    700  CD  PRO P 112       3.018  13.868   4.384  1.00  7.99           C  
-ATOM    701  N   GLN P 113       5.847  13.866   8.062  1.00  7.24           N  
-ATOM    702  CA  GLN P 113       5.807  13.754   9.517  1.00  8.20           C  
-ATOM    703  C   GLN P 113       6.650  14.851  10.137  1.00  7.88           C  
-ATOM    704  O   GLN P 113       7.686  15.232   9.591  1.00  8.32           O  
-ATOM    705  CB  GLN P 113       6.356  12.408   9.966  1.00  9.12           C  
-ATOM    706  CG  GLN P 113       5.543  11.191   9.559  1.00 10.01           C  
-ATOM    707  CD  GLN P 113       6.125   9.910  10.142  1.00 12.70           C  
-ATOM    708  OE1 GLN P 113       6.286   9.773  11.367  1.00 18.70           O  
-ATOM    709  NE2 GLN P 113       6.449   8.971   9.276  1.00 18.52           N  
-ATOM    710  N   ILE P 114       6.208  15.330  11.285  1.00  7.11           N  
-ATOM    711  CA  ILE P 114       7.007  16.235  12.073  1.00  7.51           C  
-ATOM    712  C   ILE P 114       7.909  15.395  12.966  1.00  7.41           C  
-ATOM    713  O   ILE P 114       7.441  14.616  13.774  1.00  9.08           O  
-ATOM    714  CB  ILE P 114       6.117  17.183  12.909  1.00  7.91           C  
-ATOM    715  CG1 ILE P 114       5.292  18.061  11.971  1.00  9.30           C  
-ATOM    716  CG2 ILE P 114       6.967  18.038  13.855  1.00  9.21           C  
-ATOM    717  CD1 ILE P 114       5.973  19.359  11.521  1.00 18.61           C  
-ATOM    718  N   LEU P 115       9.209  15.530  12.766  1.00  6.84           N  
-ATOM    719  CA  LEU P 115      10.213  14.812  13.532  1.00  7.01           C  
-ATOM    720  C   LEU P 115      10.463  15.406  14.911  1.00  6.82           C  
-ATOM    721  O   LEU P 115      10.737  14.686  15.857  1.00  7.43           O  
-ATOM    722  CB  LEU P 115      11.532  14.805  12.762  1.00  7.46           C  
-ATOM    723  CG  LEU P 115      11.495  14.181  11.368  1.00  8.35           C  
-ATOM    724  CD1 LEU P 115      12.775  14.488  10.605  1.00  9.17           C  
-ATOM    725  CD2 LEU P 115      11.257  12.692  11.402  1.00  9.81           C  
-ATOM    726  N   HIS P 116      10.407  16.731  15.005  1.00  6.25           N  
-ATOM    727  CA  HIS P 116      10.893  17.439  16.198  1.00  5.91           C  
-ATOM    728  C   HIS P 116      10.441  18.883  16.097  1.00  6.29           C  
-ATOM    729  O   HIS P 116      10.376  19.436  14.991  1.00  6.88           O  
-ATOM    730  CB  HIS P 116      12.440  17.384  16.173  1.00  6.81           C  
-ATOM    731  CG  HIS P 116      13.103  17.895  17.404  1.00  6.91           C  
-ATOM    732  ND1 HIS P 116      12.968  17.290  18.627  1.00  8.49           N  
-ATOM    733  CD2 HIS P 116      13.949  18.932  17.581  1.00  6.71           C  
-ATOM    734  CE1 HIS P 116      13.689  17.943  19.519  1.00  7.85           C  
-ATOM    735  NE2 HIS P 116      14.313  18.926  18.903  1.00  6.98           N  
-ATOM    736  N   ARG P 117      10.120  19.477  17.236  1.00  6.48           N  
-ATOM    737  CA  ARG P 117       9.795  20.894  17.313  1.00  6.75           C  
-ATOM    738  C   ARG P 117      10.829  21.586  18.200  1.00  6.24           C  
-ATOM    739  O   ARG P 117      11.334  21.003  19.186  1.00  6.30           O  
-ATOM    740  CB  ARG P 117       8.418  21.108  17.934  1.00  7.05           C  
-ATOM    741  CG  ARG P 117       7.246  20.550  17.185  1.00  8.12           C  
-ATOM    742  CD  ARG P 117       5.940  20.931  17.868  1.00  9.20           C  
-ATOM    743  NE  ARG P 117       5.722  20.284  19.174  1.00  8.91           N  
-ATOM    744  CZ  ARG P 117       5.199  20.847  20.266  1.00  8.09           C  
-ATOM    745  NH1 ARG P 117       4.887  22.139  20.297  1.00  7.47           N  
-ATOM    746  NH2 ARG P 117       4.959  20.102  21.331  1.00  8.57           N  
-ATOM    747  N   VAL P 118      11.110  22.848  17.896  1.00  6.26           N  
-ATOM    748  CA  VAL P 118      12.100  23.636  18.635  1.00  7.04           C  
-ATOM    749  C   VAL P 118      11.490  24.993  18.959  1.00  6.67           C  
-ATOM    750  O   VAL P 118      11.183  25.764  18.039  1.00  7.56           O  
-ATOM    751  CB  VAL P 118      13.380  23.899  17.772  1.00  8.04           C  
-ATOM    752  CG1 VAL P 118      14.377  24.790  18.553  1.00  9.77           C  
-ATOM    753  CG2 VAL P 118      14.021  22.568  17.353  1.00  8.67           C  
-ATOM    754  N   SER P 119      11.333  25.282  20.251  1.00  5.89           N  
-ATOM    755  CA  SER P 119      10.886  26.594  20.682  1.00  6.68           C  
-ATOM    756  C   SER P 119      12.110  27.443  21.019  1.00  6.93           C  
-ATOM    757  O   SER P 119      12.857  27.114  21.959  1.00  7.93           O  
-ATOM    758  CB  SER P 119      10.032  26.426  21.924  1.00  7.18           C  
-ATOM    759  OG  SER P 119       9.746  27.683  22.518  1.00  9.03           O  
-ATOM    760  N   LEU P 120      12.321  28.528  20.276  1.00  7.47           N  
-ATOM    761  CA  LEU P 120      13.499  29.368  20.450  1.00  7.96           C  
-ATOM    762  C   LEU P 120      13.058  30.684  21.051  1.00  8.60           C  
-ATOM    763  O   LEU P 120      12.301  31.441  20.451  1.00  9.05           O  
-ATOM    764  CB  LEU P 120      14.187  29.601  19.110  1.00  8.95           C  
-ATOM    765  CG  LEU P 120      15.388  30.556  19.186  1.00 10.73           C  
-ATOM    766  CD1 LEU P 120      16.505  30.041  20.102  1.00 11.90           C  
-ATOM    767  CD2 LEU P 120      15.919  30.783  17.792  1.00 12.42           C  
-ATOM    768  N   ASN P 121      13.554  30.932  22.255  1.00  9.12           N  
-ATOM    769  CA  ASN P 121      13.243  32.109  23.006  1.00 10.37           C  
-ATOM    770  C   ASN P 121      14.495  32.980  23.072  1.00 10.80           C  
-ATOM    771  O   ASN P 121      15.555  32.510  23.477  1.00 11.31           O  
-ATOM    772  CB  ASN P 121      12.733  31.631  24.364  1.00 11.43           C  
-ATOM    773  CG  ASN P 121      11.553  30.637  24.209  1.00 13.01           C  
-ATOM    774  OD1 ASN P 121      10.420  31.082  24.008  1.00 16.66           O  
-ATOM    775  ND2 ASN P 121      11.817  29.286  24.233  1.00 12.88           N  
-ATOM    776  N   ILE P 122      14.377  34.223  22.609  1.00 11.31           N  
-ATOM    777  CA  ILE P 122      15.505  35.157  22.626  1.00 12.85           C  
-ATOM    778  C   ILE P 122      15.435  36.015  23.884  1.00 13.35           C  
-ATOM    779  O   ILE P 122      14.444  36.715  24.131  1.00 15.00           O  
-ATOM    780  CB  ILE P 122      15.537  36.043  21.357  1.00 12.04           C  
-ATOM    781  CG1 ILE P 122      15.678  35.194  20.073  1.00 13.56           C  
-ATOM    782  CG2 ILE P 122      16.665  37.048  21.446  1.00 14.42           C  
-ATOM    783  CD1 ILE P 122      16.964  34.376  19.963  1.00 15.54           C  
-ATOM    784  N   LEU P 123      16.490  35.949  24.689  1.00 14.06           N  
-ATOM    785  CA  LEU P 123      16.508  36.612  25.986  1.00 15.51           C  
-ATOM    786  C   LEU P 123      16.561  38.137  25.836  1.00 16.66           C  
-ATOM    787  O   LEU P 123      17.184  38.649  24.896  1.00 15.95           O  
-ATOM    788  CB  LEU P 123      17.673  36.095  26.834  1.00 15.58           C  
-ATOM    789  CG  LEU P 123      17.597  34.616  27.264  1.00 16.94           C  
-ATOM    790  CD1 LEU P 123      18.953  34.118  27.714  1.00 20.05           C  
-ATOM    791  CD2 LEU P 123      16.541  34.365  28.345  1.00 19.66           C  
-ATOM    792  N   PRO P 124      15.874  38.868  26.747  1.00 19.00           N  
-ATOM    793  CA  PRO P 124      15.938  40.334  26.766  1.00 20.21           C  
-ATOM    794  C   PRO P 124      17.358  40.822  27.041  1.00 20.68           C  
-ATOM    795  O   PRO P 124      18.182  40.048  27.535  1.00 20.39           O  
-ATOM    796  CB  PRO P 124      14.995  40.725  27.920  1.00 20.87           C  
-ATOM    797  CG  PRO P 124      14.817  39.520  28.730  1.00 20.79           C  
-ATOM    798  CD  PRO P 124      14.965  38.353  27.787  1.00 19.36           C  
-ATOM    799  N   PRO P 125      17.657  42.096  26.716  1.00 22.37           N  
-ATOM    800  CA  PRO P 125      19.009  42.592  26.947  1.00 23.17           C  
-ATOM    801  C   PRO P 125      19.355  42.624  28.436  1.00 23.90           C  
-ATOM    802  O   PRO P 125      18.489  42.837  29.295  1.00 24.69           O  
-ATOM    803  CB  PRO P 125      18.969  44.015  26.373  1.00 23.47           C  
-ATOM    804  CG  PRO P 125      17.537  44.385  26.371  1.00 23.01           C  
-ATOM    805  CD  PRO P 125      16.790  43.127  26.114  1.00 22.22           C  
-ATOM    806  OXT PRO P 125      20.510  42.421  28.807  1.00 24.23           O  

Deleted: SwiftApps/modFTDock/input/2g1l-1.pdb
===================================================================
--- SwiftApps/modFTDock/input/2g1l-1.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/2g1l-1.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,814 +0,0 @@
-ATOM      1  N   SER A 497      26.212 -52.424   0.180  1.00 64.42           N  
-ATOM      2  CA  SER A 497      25.752 -51.464   1.238  1.00 64.85           C  
-ATOM      3  C   SER A 497      25.267 -50.153   0.587  1.00 63.23           C  
-ATOM      4  O   SER A 497      25.253 -50.032  -0.658  1.00 61.65           O  
-ATOM      5  CB  SER A 497      26.901 -51.179   2.252  1.00 67.42           C  
-ATOM      6  OG  SER A 497      26.420 -50.787   3.545  1.00 66.56           O  
-ATOM      7  N   THR A 498      24.857 -49.187   1.422  1.00 58.47           N  
-ATOM      8  CA  THR A 498      24.674 -47.809   0.955  1.00 56.76           C  
-ATOM      9  C   THR A 498      26.057 -47.220   0.681  1.00 56.45           C  
-ATOM     10  O   THR A 498      27.048 -47.605   1.340  1.00 56.70           O  
-ATOM     11  CB  THR A 498      23.975 -46.948   1.989  1.00 56.46           C  
-ATOM     12  OG1 THR A 498      22.894 -47.698   2.523  1.00 59.04           O  
-ATOM     13  CG2 THR A 498      23.448 -45.617   1.390  1.00 54.11           C  
-ATOM     14  N   PRO A 499      26.146 -46.322  -0.317  1.00 51.75           N  
-ATOM     15  CA  PRO A 499      27.356 -45.554  -0.475  1.00 47.42           C  
-ATOM     16  C   PRO A 499      27.490 -44.506   0.626  1.00 43.08           C  
-ATOM     17  O   PRO A 499      26.502 -43.889   1.015  1.00 40.45           O  
-ATOM     18  CB  PRO A 499      27.158 -44.883  -1.831  1.00 48.42           C  
-ATOM     19  CG  PRO A 499      26.008 -45.580  -2.454  1.00 49.03           C  
-ATOM     20  CD  PRO A 499      25.162 -45.986  -1.356  1.00 49.14           C  
-ATOM     21  N   HIS A 500      28.709 -44.314   1.122  1.00 41.34           N  
-ATOM     22  CA  HIS A 500      28.983 -43.288   2.128  1.00 39.45           C  
-ATOM     23  C   HIS A 500      29.882 -42.187   1.606  1.00 37.68           C  
-ATOM     24  O   HIS A 500      30.801 -42.439   0.836  1.00 35.57           O  
-ATOM     25  CB  HIS A 500      29.689 -43.904   3.312  1.00 39.35           C  
-ATOM     26  CG  HIS A 500      28.929 -44.999   3.961  1.00 37.73           C  
-ATOM     27  ND1 HIS A 500      28.810 -46.243   3.396  1.00 38.55           N  
-ATOM     28  CD2 HIS A 500      28.267 -45.048   5.138  1.00 38.29           C  
-ATOM     29  CE1 HIS A 500      28.087 -47.014   4.186  1.00 40.35           C  
-ATOM     30  NE2 HIS A 500      27.750 -46.314   5.255  1.00 39.80           N  
-ATOM     31  N   LEU A 501      29.634 -40.966   2.061  1.00 38.18           N  
-ATOM     32  CA  LEU A 501      30.569 -39.864   1.873  1.00 36.46           C  
-ATOM     33  C   LEU A 501      31.132 -39.535   3.232  1.00 36.33           C  
-ATOM     34  O   LEU A 501      30.413 -39.132   4.120  1.00 36.87           O  
-ATOM     35  CB  LEU A 501      29.866 -38.663   1.285  1.00 35.56           C  
-ATOM     36  CG  LEU A 501      30.777 -37.601   0.703  1.00 35.37           C  
-ATOM     37  CD1 LEU A 501      31.567 -38.151  -0.473  1.00 31.48           C  
-ATOM     38  CD2 LEU A 501      29.923 -36.415   0.304  1.00 34.18           C  
-ATOM     39  N   VAL A 502      32.431 -39.725   3.382  1.00 38.52           N  
-ATOM     40  CA  VAL A 502      33.094 -39.733   4.682  1.00 36.61           C  
-ATOM     41  C   VAL A 502      34.003 -38.526   4.779  1.00 36.43           C  
-ATOM     42  O   VAL A 502      34.755 -38.249   3.855  1.00 35.85           O  
-ATOM     43  CB  VAL A 502      33.955 -41.004   4.802  1.00 36.42           C  
-ATOM     44  CG1 VAL A 502      34.891 -40.880   5.952  1.00 33.56           C  
-ATOM     45  CG2 VAL A 502      33.051 -42.247   4.930  1.00 37.33           C  
-ATOM     46  N   ASN A 503      33.965 -37.825   5.902  1.00 37.99           N  
-ATOM     47  CA  ASN A 503      34.699 -36.579   6.030  1.00 37.94           C  
-ATOM     48  C   ASN A 503      36.141 -36.844   6.433  1.00 39.00           C  
-ATOM     49  O   ASN A 503      36.390 -37.367   7.499  1.00 42.90           O  
-ATOM     50  CB  ASN A 503      34.007 -35.682   7.044  1.00 37.04           C  
-ATOM     51  CG  ASN A 503      34.636 -34.306   7.131  1.00 37.75           C  
-ATOM     52  OD1 ASN A 503      35.746 -34.090   6.649  1.00 37.07           O  
-ATOM     53  ND2 ASN A 503      33.929 -33.367   7.756  1.00 36.94           N  
-ATOM     54  N   LEU A 504      37.099 -36.478   5.591  1.00 42.14           N  
-ATOM     55  CA  LEU A 504      38.504 -36.763   5.902  1.00 44.60           C  
-ATOM     56  C   LEU A 504      39.203 -35.615   6.625  1.00 47.46           C  
-ATOM     57  O   LEU A 504      40.348 -35.766   7.006  1.00 46.81           O  
-ATOM     58  CB  LEU A 504      39.298 -37.159   4.644  1.00 41.07           C  
-ATOM     59  CG  LEU A 504      38.851 -38.431   3.913  1.00 40.13           C  
-ATOM     60  CD1 LEU A 504      39.733 -38.711   2.679  1.00 34.64           C  
-ATOM     61  CD2 LEU A 504      38.800 -39.625   4.845  1.00 35.58           C  
-ATOM     62  N   ASN A 505      38.535 -34.484   6.846  1.00 53.32           N  
-ATOM     63  CA  ASN A 505      39.200 -33.357   7.522  1.00 59.57           C  
-ATOM     64  C   ASN A 505      39.672 -33.729   8.911  1.00 63.99           C  
-ATOM     65  O   ASN A 505      38.921 -34.304   9.669  1.00 64.00           O  
-ATOM     66  CB  ASN A 505      38.283 -32.138   7.606  1.00 61.39           C  
-ATOM     67  CG  ASN A 505      38.104 -31.452   6.264  1.00 62.43           C  
-ATOM     68  OD1 ASN A 505      36.985 -31.142   5.858  1.00 61.87           O  
-ATOM     69  ND2 ASN A 505      39.216 -31.220   5.560  1.00 64.61           N  
-ATOM     70  N   GLU A 506      40.924 -33.392   9.237  1.00 72.39           N  
-ATOM     71  CA  GLU A 506      41.536 -33.773  10.533  1.00 75.84           C  
-ATOM     72  C   GLU A 506      40.912 -33.040  11.724  1.00 78.44           C  
-ATOM     73  O   GLU A 506      40.717 -33.629  12.780  1.00 77.77           O  
-ATOM     74  CB  GLU A 506      43.056 -33.554  10.512  1.00 79.99           C  
-ATOM     75  CG  GLU A 506      43.842 -34.662   9.759  1.00 84.20           C  
-ATOM     76  CD  GLU A 506      44.156 -35.917  10.626  1.00 86.65           C  
-ATOM     77  OE1 GLU A 506      43.222 -36.631  11.072  1.00 85.90           O  
-ATOM     78  OE2 GLU A 506      45.358 -36.192  10.841  1.00 88.72           O  
-ATOM     79  N   ASP A 507      40.598 -31.761  11.547  1.00 81.75           N  
-ATOM     80  CA  ASP A 507      39.905 -30.985  12.577  1.00 84.08           C  
-ATOM     81  C   ASP A 507      38.637 -30.406  11.996  1.00 84.90           C  
-ATOM     82  O   ASP A 507      38.609 -29.245  11.595  1.00 86.15           O  
-ATOM     83  CB  ASP A 507      40.795 -29.857  13.108  1.00 87.21           C  
-ATOM     84  CG  ASP A 507      41.849 -30.355  14.068  1.00 88.63           C  
-ATOM     85  OD1 ASP A 507      43.040 -30.395  13.675  1.00 89.08           O  
-ATOM     86  OD2 ASP A 507      41.475 -30.720  15.209  1.00 90.06           O  
-ATOM     87  N   PRO A 508      37.581 -31.217  11.931  1.00 84.50           N  
-ATOM     88  CA  PRO A 508      36.316 -30.710  11.442  1.00 85.64           C  
-ATOM     89  C   PRO A 508      35.641 -29.874  12.520  1.00 86.79           C  
-ATOM     90  O   PRO A 508      35.753 -30.221  13.695  1.00 85.89           O  
-ATOM     91  CB  PRO A 508      35.523 -31.985  11.166  1.00 84.15           C  
-ATOM     92  CG  PRO A 508      36.087 -32.986  12.095  1.00 83.35           C  
-ATOM     93  CD  PRO A 508      37.507 -32.636  12.320  1.00 83.41           C  
-ATOM     94  N   LEU A 509      34.954 -28.790  12.140  1.00 88.73           N  
-ATOM     95  CA  LEU A 509      34.220 -27.976  13.132  1.00 90.99           C  
-ATOM     96  C   LEU A 509      33.075 -28.774  13.789  1.00 93.34           C  
-ATOM     97  O   LEU A 509      32.637 -29.823  13.276  1.00 93.01           O  
-ATOM     98  CB  LEU A 509      33.693 -26.644  12.538  1.00 90.35           C  
-ATOM     99  CG  LEU A 509      34.294 -25.327  13.089  1.00 90.00           C  
-ATOM    100  CD1 LEU A 509      33.614 -24.118  12.440  1.00 88.20           C  
-ATOM    101  CD2 LEU A 509      34.205 -25.224  14.638  1.00 88.95           C  
-ATOM    102  N   MET A 510      32.611 -28.274  14.934  1.00 95.78           N  
-ATOM    103  CA  MET A 510      31.522 -28.911  15.683  1.00 96.56           C  
-ATOM    104  C   MET A 510      30.246 -29.006  14.797  1.00 95.84           C  
-ATOM    105  O   MET A 510      29.545 -30.026  14.790  1.00 95.65           O  
-ATOM    106  CB  MET A 510      31.258 -28.130  16.993  1.00101.50           C  
-ATOM    107  CG  MET A 510      30.843 -29.007  18.189  1.00104.94           C  
-ATOM    108  SD  MET A 510      29.138 -29.708  18.048  1.00111.20           S  
-ATOM    109  CE  MET A 510      28.093 -28.199  18.269  1.00107.38           C  
-ATOM    110  N   SER A 511      29.989 -27.938  14.040  1.00 93.46           N  
-ATOM    111  CA  SER A 511      28.873 -27.853  13.085  1.00 90.61           C  
-ATOM    112  C   SER A 511      29.036 -28.766  11.862  1.00 88.05           C  
-ATOM    113  O   SER A 511      28.055 -29.142  11.213  1.00 88.22           O  
-ATOM    114  CB  SER A 511      28.767 -26.407  12.586  1.00 91.64           C  
-ATOM    115  OG  SER A 511      30.002 -25.980  12.007  1.00 91.38           O  
-ATOM    116  N   GLU A 512      30.289 -29.084  11.550  1.00 84.13           N  
-ATOM    117  CA  GLU A 512      30.662 -29.832  10.356  1.00 79.99           C  
-ATOM    118  C   GLU A 512      30.259 -31.301  10.478  1.00 75.88           C  
-ATOM    119  O   GLU A 512      30.342 -31.904  11.554  1.00 77.28           O  
-ATOM    120  CB  GLU A 512      32.177 -29.718  10.146  1.00 81.47           C  
-ATOM    121  CG  GLU A 512      32.667 -29.998   8.738  1.00 82.33           C  
-ATOM    122  CD  GLU A 512      34.156 -29.706   8.574  1.00 81.89           C  
-ATOM    123  OE1 GLU A 512      34.702 -28.897   9.365  1.00 82.17           O  
-ATOM    124  OE2 GLU A 512      34.777 -30.282   7.653  1.00 81.33           O  
-ATOM    125  N   CYS A 513      29.862 -31.873   9.355  1.00 69.60           N  
-ATOM    126  CA  CYS A 513      29.238 -33.166   9.335  1.00 62.75           C  
-ATOM    127  C   CYS A 513      30.233 -34.234   8.907  1.00 54.34           C  
-ATOM    128  O   CYS A 513      30.901 -34.106   7.894  1.00 51.17           O  
-ATOM    129  CB  CYS A 513      28.088 -33.115   8.360  1.00 67.61           C  
-ATOM    130  SG  CYS A 513      26.684 -34.117   8.807  1.00 77.05           S  
-ATOM    131  N   LEU A 514      30.305 -35.305   9.675  1.00 48.04           N  
-ATOM    132  CA  LEU A 514      31.375 -36.290   9.533  1.00 44.15           C  
-ATOM    133  C   LEU A 514      31.097 -37.413   8.539  1.00 39.09           C  
-ATOM    134  O   LEU A 514      32.028 -37.992   8.008  1.00 38.49           O  
-ATOM    135  CB  LEU A 514      31.698 -36.894  10.895  1.00 39.32           C  
-ATOM    136  CG  LEU A 514      32.223 -35.917  11.957  1.00 39.38           C  
-ATOM    137  CD1 LEU A 514      32.270 -36.586  13.322  1.00 36.00           C  
-ATOM    138  CD2 LEU A 514      33.602 -35.378  11.565  1.00 37.38           C  
-ATOM    139  N   LEU A 515      29.832 -37.706   8.278  1.00 38.64           N  
-ATOM    140  CA  LEU A 515      29.458 -38.832   7.434  1.00 40.29           C  
-ATOM    141  C   LEU A 515      28.030 -38.686   6.914  1.00 38.77           C  
-ATOM    142  O   LEU A 515      27.135 -38.411   7.682  1.00 36.48           O  
-ATOM    143  CB  LEU A 515      29.586 -40.138   8.236  1.00 39.57           C  
-ATOM    144  CG  LEU A 515      29.187 -41.456   7.568  1.00 39.87           C  
-ATOM    145  CD1 LEU A 515      29.841 -42.624   8.256  1.00 40.96           C  
-ATOM    146  CD2 LEU A 515      27.685 -41.640   7.582  1.00 42.38           C  
-ATOM    147  N   TYR A 516      27.839 -38.883   5.613  1.00 40.97           N  
-ATOM    148  CA  TYR A 516      26.517 -38.943   4.998  1.00 42.68           C  
-ATOM    149  C   TYR A 516      26.402 -40.237   4.244  1.00 41.11           C  
-ATOM    150  O   TYR A 516      27.353 -40.649   3.581  1.00 38.80           O  
-ATOM    151  CB  TYR A 516      26.312 -37.846   3.964  1.00 49.83           C  
-ATOM    152  CG  TYR A 516      26.715 -36.485   4.392  1.00 51.61           C  
-ATOM    153  CD1 TYR A 516      25.779 -35.597   4.922  1.00 53.60           C  
-ATOM    154  CD2 TYR A 516      28.032 -36.059   4.259  1.00 53.29           C  
-ATOM    155  CE1 TYR A 516      26.151 -34.307   5.326  1.00 52.54           C  
-ATOM    156  CE2 TYR A 516      28.418 -34.781   4.662  1.00 53.09           C  
-ATOM    157  CZ  TYR A 516      27.470 -33.912   5.190  1.00 53.43           C  
-ATOM    158  OH  TYR A 516      27.848 -32.647   5.573  1.00 54.36           O  
-ATOM    159  N   HIS A 517      25.233 -40.866   4.324  1.00 40.02           N  
-ATOM    160  CA  HIS A 517      24.881 -41.944   3.397  1.00 40.26           C  
-ATOM    161  C   HIS A 517      24.291 -41.306   2.142  1.00 41.01           C  
-ATOM    162  O   HIS A 517      23.481 -40.410   2.241  1.00 43.79           O  
-ATOM    163  CB  HIS A 517      23.881 -42.906   4.024  1.00 33.84           C  
-ATOM    164  CG  HIS A 517      24.464 -43.765   5.099  1.00 29.57           C  
-ATOM    165  ND1 HIS A 517      24.362 -43.450   6.431  1.00 30.27           N  
-ATOM    166  CD2 HIS A 517      25.146 -44.937   5.044  1.00 29.00           C  
-ATOM    167  CE1 HIS A 517      24.956 -44.387   7.156  1.00 29.22           C  
-ATOM    168  NE2 HIS A 517      25.438 -45.303   6.338  1.00 25.95           N  
-ATOM    169  N   ILE A 518      24.723 -41.745   0.968  1.00 42.57           N  
-ATOM    170  CA  ILE A 518      24.165 -41.238  -0.280  1.00 44.06           C  
-ATOM    171  C   ILE A 518      22.999 -42.107  -0.720  1.00 45.85           C  
-ATOM    172  O   ILE A 518      23.164 -43.259  -1.141  1.00 45.93           O  
-ATOM    173  CB  ILE A 518      25.208 -41.165  -1.384  1.00 43.99           C  
-ATOM    174  CG1 ILE A 518      26.276 -40.158  -0.971  1.00 42.87           C  
-ATOM    175  CG2 ILE A 518      24.551 -40.774  -2.750  1.00 40.68           C  
-ATOM    176  CD1 ILE A 518      27.586 -40.460  -1.561  1.00 45.07           C  
-ATOM    177  N   LYS A 519      21.817 -41.522  -0.619  1.00 48.81           N  
-ATOM    178  CA  LYS A 519      20.585 -42.213  -0.914  1.00 49.89           C  
-ATOM    179  C   LYS A 519      20.229 -42.167  -2.397  1.00 49.58           C  
-ATOM    180  O   LYS A 519      20.765 -41.346  -3.162  1.00 47.56           O  
-ATOM    181  CB  LYS A 519      19.475 -41.617  -0.058  1.00 54.05           C  
-ATOM    182  CG  LYS A 519      19.590 -42.098   1.387  1.00 57.02           C  
-ATOM    183  CD  LYS A 519      19.456 -40.978   2.399  1.00 59.12           C  
-ATOM    184  CE  LYS A 519      19.887 -41.463   3.799  1.00 59.95           C  
-ATOM    185  NZ  LYS A 519      20.005 -40.330   4.780  1.00 61.16           N  
-ATOM    186  N   ASP A 520      19.342 -43.086  -2.785  1.00 47.65           N  
-ATOM    187  CA  ASP A 520      18.814 -43.159  -4.130  1.00 44.62           C  
-ATOM    188  C   ASP A 520      18.342 -41.768  -4.549  1.00 40.10           C  
-ATOM    189  O   ASP A 520      17.806 -41.039  -3.754  1.00 39.63           O  
-ATOM    190  CB  ASP A 520      17.670 -44.162  -4.183  1.00 47.21           C  
-ATOM    191  CG  ASP A 520      17.189 -44.425  -5.605  1.00 52.20           C  
-ATOM    192  OD1 ASP A 520      18.022 -44.842  -6.462  1.00 57.02           O  
-ATOM    193  OD2 ASP A 520      15.979 -44.212  -5.876  1.00 54.90           O  
-ATOM    194  N   GLY A 521      18.598 -41.378  -5.783  1.00 37.76           N  
-ATOM    195  CA  GLY A 521      18.220 -40.042  -6.235  1.00 39.12           C  
-ATOM    196  C   GLY A 521      19.337 -39.011  -6.217  1.00 37.86           C  
-ATOM    197  O   GLY A 521      20.511 -39.345  -6.253  1.00 39.26           O  
-ATOM    198  N   VAL A 522      18.941 -37.752  -6.157  1.00 38.28           N  
-ATOM    199  CA  VAL A 522      19.836 -36.625  -6.246  1.00 39.20           C  
-ATOM    200  C   VAL A 522      20.114 -36.103  -4.859  1.00 42.62           C  
-ATOM    201  O   VAL A 522      19.178 -35.737  -4.179  1.00 48.04           O  
-ATOM    202  CB  VAL A 522      19.177 -35.491  -7.050  1.00 35.68           C  
-ATOM    203  CG1 VAL A 522      20.034 -34.245  -7.033  1.00 39.24           C  
-ATOM    204  CG2 VAL A 522      18.925 -35.932  -8.465  1.00 29.73           C  
-ATOM    205  N   THR A 523      21.386 -36.081  -4.435  1.00 44.26           N  
-ATOM    206  CA  THR A 523      21.820 -35.315  -3.258  1.00 43.48           C  
-ATOM    207  C   THR A 523      22.537 -34.045  -3.694  1.00 46.63           C  
-ATOM    208  O   THR A 523      23.618 -34.115  -4.258  1.00 49.81           O  
-ATOM    209  CB  THR A 523      22.789 -36.096  -2.403  1.00 42.74           C  
-ATOM    210  OG1 THR A 523      22.217 -37.364  -2.079  1.00 41.72           O  
-ATOM    211  CG2 THR A 523      23.122 -35.312  -1.117  1.00 41.33           C  
-ATOM    212  N   ARG A 524      21.940 -32.891  -3.423  1.00 49.65           N  
-ATOM    213  CA  ARG A 524      22.520 -31.588  -3.782  1.00 49.59           C  
-ATOM    214  C   ARG A 524      23.461 -31.095  -2.704  1.00 49.76           C  
-ATOM    215  O   ARG A 524      23.118 -31.143  -1.511  1.00 48.61           O  
-ATOM    216  CB  ARG A 524      21.412 -30.567  -3.996  1.00 51.97           C  
-ATOM    217  CG  ARG A 524      20.693 -30.788  -5.299  1.00 54.14           C  
-ATOM    218  CD  ARG A 524      19.203 -30.421  -5.267  1.00 56.19           C  
-ATOM    219  NE  ARG A 524      18.485 -30.997  -6.421  1.00 57.16           N  
-ATOM    220  CZ  ARG A 524      18.637 -30.605  -7.695  1.00 60.04           C  
-ATOM    221  NH1 ARG A 524      19.484 -29.616  -8.024  1.00 60.06           N  
-ATOM    222  NH2 ARG A 524      17.941 -31.205  -8.665  1.00 59.85           N  
-ATOM    223  N   VAL A 525      24.646 -30.624  -3.119  1.00 48.01           N  
-ATOM    224  CA  VAL A 525      25.673 -30.123  -2.180  1.00 47.65           C  
-ATOM    225  C   VAL A 525      25.926 -28.633  -2.384  1.00 47.18           C  
-ATOM    226  O   VAL A 525      26.104 -28.171  -3.503  1.00 46.61           O  
-ATOM    227  CB  VAL A 525      27.004 -30.875  -2.327  1.00 43.58           C  
-ATOM    228  CG1 VAL A 525      28.010 -30.346  -1.340  1.00 42.36           C  
-ATOM    229  CG2 VAL A 525      26.804 -32.357  -2.128  1.00 42.05           C  
-ATOM    230  N   GLY A 526      25.942 -27.881  -1.297  1.00 50.69           N  
-ATOM    231  CA  GLY A 526      26.172 -26.442  -1.382  1.00 55.23           C  
-ATOM    232  C   GLY A 526      25.867 -25.702  -0.091  1.00 57.44           C  
-ATOM    233  O   GLY A 526      25.991 -26.251   1.002  1.00 55.24           O  
-ATOM    234  N   GLN A 527      25.473 -24.444  -0.225  1.00 63.07           N  
-ATOM    235  CA  GLN A 527      25.267 -23.573   0.930  1.00 67.15           C  
-ATOM    236  C   GLN A 527      23.801 -23.253   1.106  1.00 69.39           C  
-ATOM    237  O   GLN A 527      23.264 -23.397   2.193  1.00 71.85           O  
-ATOM    238  CB  GLN A 527      26.075 -22.279   0.774  1.00 68.39           C  
-ATOM    239  CG  GLN A 527      27.506 -22.381   1.297  1.00 69.60           C  
-ATOM    240  CD  GLN A 527      28.370 -21.179   0.926  1.00 70.48           C  
-ATOM    241  OE1 GLN A 527      27.915 -20.261   0.227  1.00 71.35           O  
-ATOM    242  NE2 GLN A 527      29.634 -21.191   1.372  1.00 69.29           N  
-ATOM    243  N   VAL A 528      23.160 -22.819   0.030  1.00 71.86           N  
-ATOM    244  CA  VAL A 528      21.780 -22.363   0.095  1.00 73.42           C  
-ATOM    245  C   VAL A 528      20.812 -23.450  -0.363  1.00 74.92           C  
-ATOM    246  O   VAL A 528      20.630 -23.668  -1.576  1.00 73.95           O  
-ATOM    247  CB  VAL A 528      21.571 -21.076  -0.755  1.00 74.31           C  
-ATOM    248  CG1 VAL A 528      20.083 -20.697  -0.830  1.00 72.11           C  
-ATOM    249  CG2 VAL A 528      22.407 -19.921  -0.174  1.00 74.63           C  
-ATOM    250  N   ASP A 529      20.207 -24.120   0.627  1.00 76.01           N  
-ATOM    251  CA  ASP A 529      19.025 -25.002   0.433  1.00 76.02           C  
-ATOM    252  C   ASP A 529      19.414 -26.293  -0.263  1.00 74.46           C  
-ATOM    253  O   ASP A 529      18.975 -26.585  -1.392  1.00 72.08           O  
-ATOM    254  CB  ASP A 529      17.877 -24.284  -0.309  1.00 79.42           C  
-ATOM    255  CG  ASP A 529      17.463 -22.975   0.376  1.00 81.62           C  
-ATOM    256  OD1 ASP A 529      17.467 -22.927   1.631  1.00 81.66           O  
-ATOM    257  OD2 ASP A 529      17.144 -21.997  -0.344  1.00 83.26           O  
-ATOM    258  N   MET A 530      20.234 -27.058   0.455  1.00 71.44           N  
-ATOM    259  CA  MET A 530      20.901 -28.223  -0.078  1.00 69.32           C  
-ATOM    260  C   MET A 530      20.697 -29.406   0.845  1.00 65.51           C  
-ATOM    261  O   MET A 530      20.300 -29.248   1.981  1.00 66.22           O  
-ATOM    262  CB  MET A 530      22.395 -27.908  -0.226  1.00 71.58           C  
-ATOM    263  CG  MET A 530      22.651 -26.726  -1.161  1.00 72.91           C  
-ATOM    264  SD  MET A 530      22.145 -27.079  -2.867  1.00 75.19           S  
-ATOM    265  CE  MET A 530      21.130 -25.660  -3.330  1.00 72.30           C  
-ATOM    266  N   ASP A 531      20.972 -30.596   0.350  1.00 61.56           N  
-ATOM    267  CA  ASP A 531      20.873 -31.787   1.160  1.00 59.11           C  
-ATOM    268  C   ASP A 531      22.141 -31.918   1.996  1.00 57.18           C  
-ATOM    269  O   ASP A 531      22.093 -32.397   3.119  1.00 58.24           O  
-ATOM    270  CB  ASP A 531      20.621 -33.007   0.270  1.00 59.92           C  
-ATOM    271  CG  ASP A 531      19.458 -32.778  -0.716  1.00 62.15           C  
-ATOM    272  OD1 ASP A 531      18.333 -32.500  -0.260  1.00 64.69           O  
-ATOM    273  OD2 ASP A 531      19.664 -32.842  -1.946  1.00 62.27           O  
-ATOM    274  N   ILE A 532      23.281 -31.482   1.460  1.00 56.07           N  
-ATOM    275  CA  ILE A 532      24.505 -31.392   2.258  1.00 54.56           C  
-ATOM    276  C   ILE A 532      24.983 -29.951   2.244  1.00 55.45           C  
-ATOM    277  O   ILE A 532      25.206 -29.383   1.182  1.00 57.46           O  
-ATOM    278  CB  ILE A 532      25.608 -32.282   1.730  1.00 53.36           C  
-ATOM    279  CG1 ILE A 532      25.132 -33.739   1.672  1.00 51.89           C  
-ATOM    280  CG2 ILE A 532      26.823 -32.147   2.624  1.00 53.85           C  
-ATOM    281  CD1 ILE A 532      26.066 -34.675   0.962  1.00 49.20           C  
-ATOM    282  N   LYS A 533      25.117 -29.361   3.429  1.00 56.25           N  
-ATOM    283  CA  LYS A 533      25.509 -27.961   3.561  1.00 55.76           C  
-ATOM    284  C   LYS A 533      26.982 -27.881   3.928  1.00 52.95           C  
-ATOM    285  O   LYS A 533      27.404 -28.472   4.914  1.00 51.04           O  
-ATOM    286  CB  LYS A 533      24.676 -27.283   4.641  1.00 58.45           C  
-ATOM    287  CG  LYS A 533      24.929 -25.782   4.804  1.00 59.77           C  
-ATOM    288  CD  LYS A 533      24.759 -25.342   6.287  1.00 60.94           C  
-ATOM    289  CE  LYS A 533      24.550 -23.824   6.432  1.00 62.56           C  
-ATOM    290  NZ  LYS A 533      23.555 -23.262   5.422  1.00 63.43           N  
-ATOM    291  N   LEU A 534      27.764 -27.171   3.122  1.00 52.02           N  
-ATOM    292  CA  LEU A 534      29.193 -26.962   3.405  1.00 51.53           C  
-ATOM    293  C   LEU A 534      29.448 -25.472   3.405  1.00 49.76           C  
-ATOM    294  O   LEU A 534      28.915 -24.751   2.553  1.00 50.15           O  
-ATOM    295  CB  LEU A 534      30.063 -27.654   2.355  1.00 51.50           C  
-ATOM    296  CG  LEU A 534      29.881 -29.167   2.234  1.00 51.52           C  
-ATOM    297  CD1 LEU A 534      30.730 -29.736   1.094  1.00 49.83           C  
-ATOM    298  CD2 LEU A 534      30.221 -29.826   3.563  1.00 51.23           C  
-ATOM    299  N   THR A 535      30.253 -24.998   4.350  1.00 48.12           N  
-ATOM    300  CA  THR A 535      30.334 -23.551   4.592  1.00 48.78           C  
-ATOM    301  C   THR A 535      31.562 -22.839   4.048  1.00 47.85           C  
-ATOM    302  O   THR A 535      31.533 -21.639   3.910  1.00 53.91           O  
-ATOM    303  CB  THR A 535      30.231 -23.244   6.083  1.00 48.29           C  
-ATOM    304  OG1 THR A 535      30.972 -24.235   6.815  1.00 48.59           O  
-ATOM    305  CG2 THR A 535      28.742 -23.224   6.524  1.00 45.52           C  
-ATOM    306  N   GLY A 536      32.636 -23.550   3.755  1.00 46.56           N  
-ATOM    307  CA  GLY A 536      33.823 -22.931   3.156  1.00 46.87           C  
-ATOM    308  C   GLY A 536      33.611 -21.761   2.185  1.00 46.62           C  
-ATOM    309  O   GLY A 536      32.608 -21.658   1.471  1.00 47.37           O  
-ATOM    310  N   GLN A 537      34.594 -20.883   2.151  1.00 47.39           N  
-ATOM    311  CA  GLN A 537      34.568 -19.696   1.303  1.00 45.96           C  
-ATOM    312  C   GLN A 537      34.400 -20.002  -0.195  1.00 46.23           C  
-ATOM    313  O   GLN A 537      33.839 -19.192  -0.938  1.00 44.63           O  
-ATOM    314  CB  GLN A 537      35.872 -18.944   1.522  1.00 46.72           C  
-ATOM    315  CG  GLN A 537      35.982 -17.596   0.812  1.00 47.82           C  
-ATOM    316  CD  GLN A 537      37.403 -17.073   0.816  1.00 45.04           C  
-ATOM    317  OE1 GLN A 537      38.241 -17.574   1.551  1.00 43.79           O  
-ATOM    318  NE2 GLN A 537      37.678 -16.065   0.002  1.00 43.20           N  
-ATOM    319  N   PHE A 538      34.891 -21.159  -0.637  1.00 46.61           N  
-ATOM    320  CA  PHE A 538      34.831 -21.535  -2.052  1.00 46.05           C  
-ATOM    321  C   PHE A 538      33.685 -22.478  -2.403  1.00 46.18           C  
-ATOM    322  O   PHE A 538      33.563 -22.907  -3.562  1.00 46.07           O  
-ATOM    323  CB  PHE A 538      36.184 -22.104  -2.484  1.00 47.24           C  
-ATOM    324  CG  PHE A 538      37.286 -21.115  -2.344  1.00 47.81           C  
-ATOM    325  CD1 PHE A 538      38.185 -21.193  -1.295  1.00 49.36           C  
-ATOM    326  CD2 PHE A 538      37.373 -20.036  -3.217  1.00 48.24           C  
-ATOM    327  CE1 PHE A 538      39.183 -20.229  -1.143  1.00 48.77           C  
-ATOM    328  CE2 PHE A 538      38.366 -19.077  -3.077  1.00 47.87           C  
-ATOM    329  CZ  PHE A 538      39.270 -19.175  -2.039  1.00 48.36           C  
-ATOM    330  N   ILE A 539      32.840 -22.795  -1.422  1.00 44.18           N  
-ATOM    331  CA  ILE A 539      31.652 -23.599  -1.687  1.00 44.60           C  
-ATOM    332  C   ILE A 539      30.575 -22.679  -2.237  1.00 44.38           C  
-ATOM    333  O   ILE A 539      30.187 -21.749  -1.573  1.00 44.64           O  
-ATOM    334  CB  ILE A 539      31.130 -24.292  -0.428  1.00 41.55           C  
-ATOM    335  CG1 ILE A 539      32.203 -25.219   0.189  1.00 41.59           C  
-ATOM    336  CG2 ILE A 539      29.892 -25.063  -0.750  1.00 42.40           C  
-ATOM    337  CD1 ILE A 539      32.703 -26.338  -0.727  1.00 39.36           C  
-ATOM    338  N   ARG A 540      30.112 -22.933  -3.461  1.00 48.71           N  
-ATOM    339  CA  ARG A 540      29.029 -22.143  -4.080  1.00 51.41           C  
-ATOM    340  C   ARG A 540      27.683 -22.518  -3.478  1.00 51.82           C  
-ATOM    341  O   ARG A 540      27.579 -23.483  -2.713  1.00 52.49           O  
-ATOM    342  CB  ARG A 540      28.993 -22.364  -5.588  1.00 54.50           C  
-ATOM    343  CG  ARG A 540      30.314 -22.078  -6.282  1.00 59.00           C  
-ATOM    344  CD  ARG A 540      30.638 -20.573  -6.321  1.00 64.17           C  
-ATOM    345  NE  ARG A 540      32.087 -20.343  -6.231  1.00 65.99           N  
-ATOM    346  CZ  ARG A 540      32.729 -19.745  -5.210  1.00 69.43           C  
-ATOM    347  NH1 ARG A 540      32.085 -19.290  -4.129  1.00 71.27           N  
-ATOM    348  NH2 ARG A 540      34.053 -19.599  -5.260  1.00 68.98           N  
-ATOM    349  N   GLU A 541      26.649 -21.756  -3.808  1.00 53.23           N  
-ATOM    350  CA  GLU A 541      25.319 -22.018  -3.238  1.00 55.63           C  
-ATOM    351  C   GLU A 541      24.833 -23.380  -3.677  1.00 52.98           C  
-ATOM    352  O   GLU A 541      24.361 -24.157  -2.859  1.00 52.05           O  
-ATOM    353  CB  GLU A 541      24.322 -20.945  -3.646  1.00 59.06           C  
-ATOM    354  CG  GLU A 541      24.501 -19.638  -2.888  1.00 62.97           C  
-ATOM    355  CD  GLU A 541      23.752 -18.455  -3.531  1.00 65.55           C  
-ATOM    356  OE1 GLU A 541      23.998 -17.307  -3.097  1.00 69.82           O  
-ATOM    357  OE2 GLU A 541      22.937 -18.658  -4.472  1.00 70.11           O  
-ATOM    358  N   GLN A 542      24.947 -23.638  -4.979  1.00 51.28           N  
-ATOM    359  CA  GLN A 542      24.814 -24.971  -5.549  1.00 51.01           C  
-ATOM    360  C   GLN A 542      26.205 -25.418  -5.981  1.00 46.73           C  
-ATOM    361  O   GLN A 542      26.659 -25.051  -7.056  1.00 44.31           O  
-ATOM    362  CB  GLN A 542      23.889 -24.959  -6.786  1.00 55.82           C  
-ATOM    363  CG  GLN A 542      22.383 -24.736  -6.525  1.00 60.38           C  
-ATOM    364  CD  GLN A 542      21.976 -23.237  -6.404  1.00 64.71           C  
-ATOM    365  OE1 GLN A 542      22.120 -22.450  -7.358  1.00 67.98           O  
-ATOM    366  NE2 GLN A 542      21.448 -22.856  -5.227  1.00 66.66           N  
-ATOM    367  N   HIS A 543      26.893 -26.201  -5.158  1.00 43.28           N  
-ATOM    368  CA  HIS A 543      28.266 -26.608  -5.506  1.00 42.89           C  
-ATOM    369  C   HIS A 543      28.336 -27.759  -6.527  1.00 42.20           C  
-ATOM    370  O   HIS A 543      28.981 -27.651  -7.581  1.00 40.21           O  
-ATOM    371  CB  HIS A 543      29.058 -26.983  -4.260  1.00 41.40           C  
-ATOM    372  CG  HIS A 543      30.531 -26.943  -4.472  1.00 41.05           C  
-ATOM    373  ND1 HIS A 543      31.250 -25.774  -4.409  1.00 38.54           N  
-ATOM    374  CD2 HIS A 543      31.413 -27.916  -4.801  1.00 41.16           C  
-ATOM    375  CE1 HIS A 543      32.520 -26.033  -4.659  1.00 41.10           C  
-ATOM    376  NE2 HIS A 543      32.646 -27.324  -4.903  1.00 41.17           N  
-ATOM    377  N   CYS A 544      27.681 -28.863  -6.192  1.00 40.60           N  
-ATOM    378  CA  CYS A 544      27.609 -30.012  -7.075  1.00 39.24           C  
-ATOM    379  C   CYS A 544      26.497 -30.938  -6.600  1.00 37.72           C  
-ATOM    380  O   CYS A 544      25.890 -30.685  -5.572  1.00 38.49           O  
-ATOM    381  CB  CYS A 544      28.937 -30.757  -7.048  1.00 38.11           C  
-ATOM    382  SG  CYS A 544      29.278 -31.521  -5.457  1.00 37.69           S  
-ATOM    383  N   LEU A 545      26.236 -32.019  -7.324  1.00 38.33           N  
-ATOM    384  CA  LEU A 545      25.282 -32.998  -6.836  1.00 38.18           C  
-ATOM    385  C   LEU A 545      25.665 -34.427  -7.137  1.00 35.83           C  
-ATOM    386  O   LEU A 545      26.321 -34.709  -8.119  1.00 36.38           O  
-ATOM    387  CB  LEU A 545      23.897 -32.684  -7.367  1.00 39.50           C  
-ATOM    388  CG  LEU A 545      23.702 -32.720  -8.862  1.00 40.07           C  
-ATOM    389  CD1 LEU A 545      23.263 -34.107  -9.277  1.00 41.94           C  
-ATOM    390  CD2 LEU A 545      22.653 -31.699  -9.213  1.00 37.86           C  
-ATOM    391  N   PHE A 546      25.279 -35.315  -6.236  1.00 35.64           N  
-ATOM    392  CA  PHE A 546      25.416 -36.739  -6.444  1.00 38.16           C  
-ATOM    393  C   PHE A 546      24.115 -37.329  -7.019  1.00 38.85           C  
-ATOM    394  O   PHE A 546      23.005 -36.945  -6.608  1.00 35.73           O  
-ATOM    395  CB  PHE A 546      25.719 -37.416  -5.119  1.00 39.83           C  
-ATOM    396  CG  PHE A 546      27.015 -36.986  -4.491  1.00 40.11           C  
-ATOM    397  CD1 PHE A 546      27.074 -35.859  -3.679  1.00 42.29           C  
-ATOM    398  CD2 PHE A 546      28.169 -37.718  -4.683  1.00 40.54           C  
-ATOM    399  CE1 PHE A 546      28.274 -35.468  -3.068  1.00 39.80           C  
-ATOM    400  CE2 PHE A 546      29.367 -37.331  -4.086  1.00 40.45           C  
-ATOM    401  CZ  PHE A 546      29.413 -36.205  -3.282  1.00 40.20           C  
-ATOM    402  N   ARG A 547      24.248 -38.241  -7.981  1.00 38.71           N  
-ATOM    403  CA  ARG A 547      23.106 -39.054  -8.438  1.00 38.60           C  
-ATOM    404  C   ARG A 547      23.339 -40.500  -8.127  1.00 37.42           C  
-ATOM    405  O   ARG A 547      24.353 -41.063  -8.526  1.00 36.12           O  
-ATOM    406  CB  ARG A 547      22.918 -38.967  -9.922  1.00 37.85           C  
-ATOM    407  CG  ARG A 547      22.092 -37.872 -10.332  1.00 39.02           C  
-ATOM    408  CD  ARG A 547      22.064 -37.778 -11.841  1.00 42.65           C  
-ATOM    409  NE  ARG A 547      21.902 -36.386 -12.160  1.00 44.85           N  
-ATOM    410  CZ  ARG A 547      20.753 -35.745 -12.044  1.00 45.99           C  
-ATOM    411  NH1 ARG A 547      19.655 -36.384 -11.635  1.00 44.79           N  
-ATOM    412  NH2 ARG A 547      20.710 -34.444 -12.329  1.00 47.20           N  
-ATOM    413  N   SER A 548      22.391 -41.111  -7.437  1.00 38.47           N  
-ATOM    414  CA  SER A 548      22.470 -42.525  -7.162  1.00 40.29           C  
-ATOM    415  C   SER A 548      21.352 -43.212  -7.921  1.00 39.14           C  
-ATOM    416  O   SER A 548      20.176 -42.891  -7.727  1.00 39.35           O  
-ATOM    417  CB  SER A 548      22.359 -42.773  -5.684  1.00 39.07           C  
-ATOM    418  OG  SER A 548      22.522 -44.142  -5.449  1.00 41.72           O  
-ATOM    419  N   ILE A 549      21.738 -44.126  -8.806  1.00 39.22           N  
-ATOM    420  CA  ILE A 549      20.809 -44.823  -9.696  1.00 41.78           C  
-ATOM    421  C   ILE A 549      21.011 -46.331  -9.540  1.00 44.04           C  
-ATOM    422  O   ILE A 549      22.147 -46.804  -9.485  1.00 42.17           O  
-ATOM    423  CB  ILE A 549      21.041 -44.472 -11.184  1.00 40.35           C  
-ATOM    424  CG1 ILE A 549      21.332 -42.971 -11.379  1.00 41.88           C  
-ATOM    425  CG2 ILE A 549      19.867 -44.905 -12.017  1.00 38.54           C  
-ATOM    426  CD1 ILE A 549      22.900 -42.598 -11.397  1.00 39.81           C  
-ATOM    427  N   PRO A 550      19.909 -47.101  -9.463  1.00 50.15           N  
-ATOM    428  CA  PRO A 550      20.019 -48.574  -9.335  1.00 50.29           C  
-ATOM    429  C   PRO A 550      20.274 -49.311 -10.636  1.00 50.95           C  
-ATOM    430  O   PRO A 550      19.778 -48.914 -11.693  1.00 48.42           O  
-ATOM    431  CB  PRO A 550      18.653 -48.984  -8.798  1.00 49.03           C  
-ATOM    432  CG  PRO A 550      17.865 -47.689  -8.619  1.00 49.72           C  
-ATOM    433  CD  PRO A 550      18.501 -46.669  -9.454  1.00 50.27           C  
-ATOM    434  N   GLN A 551      21.046 -50.388 -10.537  1.00 55.33           N  
-ATOM    435  CA  GLN A 551      21.221 -51.318 -11.642  1.00 59.56           C  
-ATOM    436  C   GLN A 551      20.259 -52.479 -11.509  1.00 62.65           C  
-ATOM    437  O   GLN A 551      19.718 -52.708 -10.412  1.00 62.77           O  
-ATOM    438  CB  GLN A 551      22.631 -51.867 -11.652  1.00 60.15           C  
-ATOM    439  CG  GLN A 551      23.603 -50.891 -12.171  1.00 61.57           C  
-ATOM    440  CD  GLN A 551      24.999 -51.377 -12.033  1.00 61.18           C  
-ATOM    441  OE1 GLN A 551      25.627 -51.744 -13.015  1.00 62.25           O  
-ATOM    442  NE2 GLN A 551      25.504 -51.396 -10.807  1.00 61.15           N  
-ATOM    443  N   PRO A 552      20.030 -53.212 -12.627  1.00 66.22           N  
-ATOM    444  CA  PRO A 552      19.301 -54.489 -12.643  1.00 66.97           C  
-ATOM    445  C   PRO A 552      19.470 -55.339 -11.360  1.00 67.74           C  
-ATOM    446  O   PRO A 552      18.474 -55.670 -10.697  1.00 65.46           O  
-ATOM    447  CB  PRO A 552      19.899 -55.194 -13.869  1.00 66.65           C  
-ATOM    448  CG  PRO A 552      20.149 -54.091 -14.818  1.00 66.51           C  
-ATOM    449  CD  PRO A 552      20.429 -52.831 -13.997  1.00 66.61           C  
-ATOM    450  N   ASP A 553      20.719 -55.630 -10.998  1.00 68.47           N  
-ATOM    451  CA  ASP A 553      21.011 -56.431  -9.804  1.00 69.13           C  
-ATOM    452  C   ASP A 553      20.807 -55.731  -8.439  1.00 70.69           C  
-ATOM    453  O   ASP A 553      21.141 -56.319  -7.405  1.00 73.09           O  
-ATOM    454  CB  ASP A 553      22.444 -56.998  -9.882  1.00 69.02           C  
-ATOM    455  CG  ASP A 553      23.523 -55.917  -9.879  1.00 69.28           C  
-ATOM    456  OD1 ASP A 553      23.306 -54.801  -9.360  1.00 67.25           O  
-ATOM    457  OD2 ASP A 553      24.615 -56.200 -10.399  1.00 71.88           O  
-ATOM    458  N   GLY A 554      20.293 -54.493  -8.427  1.00 70.36           N  
-ATOM    459  CA  GLY A 554      20.181 -53.703  -7.184  1.00 69.36           C  
-ATOM    460  C   GLY A 554      21.389 -52.802  -6.873  1.00 70.04           C  
-ATOM    461  O   GLY A 554      21.221 -51.708  -6.322  1.00 70.31           O  
-ATOM    462  N   GLU A 555      22.601 -53.258  -7.224  1.00 69.42           N  
-ATOM    463  CA  GLU A 555      23.850 -52.497  -6.995  1.00 65.84           C  
-ATOM    464  C   GLU A 555      23.750 -51.082  -7.569  1.00 62.62           C  
-ATOM    465  O   GLU A 555      23.213 -50.878  -8.656  1.00 66.60           O  
-ATOM    466  CB  GLU A 555      25.057 -53.237  -7.604  1.00 69.16           C  
-ATOM    467  CG  GLU A 555      26.426 -52.720  -7.170  1.00 73.34           C  
-ATOM    468  CD  GLU A 555      26.680 -52.801  -5.634  1.00 79.04           C  
-ATOM    469  OE1 GLU A 555      25.949 -53.541  -4.920  1.00 80.18           O  
-ATOM    470  OE2 GLU A 555      27.628 -52.121  -5.146  1.00 82.11           O  
-ATOM    471  N   VAL A 556      24.256 -50.106  -6.840  1.00 55.26           N  
-ATOM    472  CA  VAL A 556      24.046 -48.719  -7.215  1.00 50.99           C  
-ATOM    473  C   VAL A 556      25.244 -48.172  -8.005  1.00 46.66           C  
-ATOM    474  O   VAL A 556      26.348 -48.712  -7.944  1.00 44.98           O  
-ATOM    475  CB  VAL A 556      23.758 -47.863  -5.971  1.00 50.89           C  
-ATOM    476  CG1 VAL A 556      23.272 -46.516  -6.362  1.00 52.10           C  
-ATOM    477  CG2 VAL A 556      22.709 -48.534  -5.140  1.00 51.09           C  
-ATOM    478  N   VAL A 557      24.977 -47.136  -8.791  1.00 40.20           N  
-ATOM    479  CA  VAL A 557      25.975 -46.399  -9.510  1.00 36.92           C  
-ATOM    480  C   VAL A 557      25.787 -44.961  -9.066  1.00 37.51           C  
-ATOM    481  O   VAL A 557      24.677 -44.425  -9.117  1.00 36.93           O  
-ATOM    482  CB  VAL A 557      25.765 -46.520 -11.035  1.00 34.66           C  
-ATOM    483  CG1 VAL A 557      26.662 -45.560 -11.803  1.00 32.26           C  
-ATOM    484  CG2 VAL A 557      26.007 -47.950 -11.493  1.00 31.95           C  
-ATOM    485  N   VAL A 558      26.862 -44.346  -8.588  1.00 36.42           N  
-ATOM    486  CA  VAL A 558      26.812 -42.969  -8.109  1.00 32.86           C  
-ATOM    487  C   VAL A 558      27.669 -42.106  -9.037  1.00 34.67           C  
-ATOM    488  O   VAL A 558      28.836 -42.443  -9.324  1.00 33.93           O  
-ATOM    489  CB  VAL A 558      27.317 -42.848  -6.653  1.00 30.38           C  
-ATOM    490  CG1 VAL A 558      27.126 -41.415  -6.136  1.00 25.44           C  
-ATOM    491  CG2 VAL A 558      26.616 -43.908  -5.722  1.00 25.26           C  
-ATOM    492  N   THR A 559      27.080 -41.015  -9.526  1.00 32.93           N  
-ATOM    493  CA  THR A 559      27.791 -40.076 -10.329  1.00 33.43           C  
-ATOM    494  C   THR A 559      27.855 -38.753  -9.585  1.00 34.64           C  
-ATOM    495  O   THR A 559      27.021 -38.488  -8.733  1.00 37.13           O  
-ATOM    496  CB  THR A 559      27.096 -39.855 -11.653  1.00 34.64           C  
-ATOM    497  OG1 THR A 559      25.889 -39.134 -11.432  1.00 37.83           O  
-ATOM    498  CG2 THR A 559      26.795 -41.166 -12.337  1.00 33.26           C  
-ATOM    499  N   LEU A 560      28.854 -37.936  -9.916  1.00 35.56           N  
-ATOM    500  CA  LEU A 560      29.013 -36.583  -9.370  1.00 36.57           C  
-ATOM    501  C   LEU A 560      28.958 -35.582 -10.524  1.00 36.63           C  
-ATOM    502  O   LEU A 560      29.630 -35.769 -11.533  1.00 34.16           O  
-ATOM    503  CB  LEU A 560      30.357 -36.492  -8.629  1.00 36.87           C  
-ATOM    504  CG  LEU A 560      30.874 -35.136  -8.113  1.00 36.05           C  
-ATOM    505  CD1 LEU A 560      30.146 -34.667  -6.888  1.00 33.59           C  
-ATOM    506  CD2 LEU A 560      32.311 -35.293  -7.775  1.00 37.36           C  
-ATOM    507  N   GLU A 561      28.123 -34.555 -10.407  1.00 39.27           N  
-ATOM    508  CA  GLU A 561      28.069 -33.485 -11.412  1.00 43.45           C  
-ATOM    509  C   GLU A 561      28.477 -32.186 -10.770  1.00 41.35           C  
-ATOM    510  O   GLU A 561      27.856 -31.768  -9.810  1.00 38.56           O  
-ATOM    511  CB  GLU A 561      26.662 -33.275 -11.928  1.00 48.44           C  
-ATOM    512  CG  GLU A 561      25.846 -34.542 -12.143  1.00 54.93           C  
-ATOM    513  CD  GLU A 561      24.541 -34.255 -12.906  1.00 56.41           C  
-ATOM    514  OE1 GLU A 561      24.202 -33.034 -13.091  1.00 60.07           O  
-ATOM    515  OE2 GLU A 561      23.879 -35.249 -13.319  1.00 58.43           O  
-ATOM    516  N   PRO A 562      29.501 -31.523 -11.300  1.00 42.68           N  
-ATOM    517  CA  PRO A 562      29.913 -30.248 -10.715  1.00 42.41           C  
-ATOM    518  C   PRO A 562      29.080 -29.126 -11.280  1.00 40.02           C  
-ATOM    519  O   PRO A 562      28.671 -29.203 -12.416  1.00 37.49           O  
-ATOM    520  CB  PRO A 562      31.346 -30.121 -11.177  1.00 42.83           C  
-ATOM    521  CG  PRO A 562      31.338 -30.745 -12.529  1.00 45.23           C  
-ATOM    522  CD  PRO A 562      30.327 -31.878 -12.461  1.00 45.70           C  
-ATOM    523  N   CYS A 563      28.806 -28.104 -10.488  1.00 42.26           N  
-ATOM    524  CA  CYS A 563      28.082 -26.941 -10.989  1.00 42.52           C  
-ATOM    525  C   CYS A 563      29.052 -25.908 -11.533  1.00 43.28           C  
-ATOM    526  O   CYS A 563      30.174 -25.786 -11.058  1.00 44.44           O  
-ATOM    527  CB  CYS A 563      27.249 -26.321  -9.893  1.00 42.77           C  
-ATOM    528  SG  CYS A 563      25.960 -27.416  -9.270  1.00 45.96           S  
-ATOM    529  N   GLU A 564      28.602 -25.198 -12.556  1.00 47.51           N  
-ATOM    530  CA  GLU A 564      29.293 -24.066 -13.144  1.00 47.38           C  
-ATOM    531  C   GLU A 564      29.899 -23.176 -12.081  1.00 46.87           C  
-ATOM    532  O   GLU A 564      29.186 -22.647 -11.236  1.00 45.40           O  
-ATOM    533  CB  GLU A 564      28.268 -23.236 -13.931  1.00 54.95           C  
-ATOM    534  CG  GLU A 564      28.810 -21.987 -14.642  1.00 57.38           C  
-ATOM    535  CD  GLU A 564      29.586 -22.327 -15.893  1.00 63.60           C  
-ATOM    536  OE1 GLU A 564      30.052 -21.379 -16.567  1.00 68.11           O  
-ATOM    537  OE2 GLU A 564      29.732 -23.539 -16.207  1.00 67.85           O  
-ATOM    538  N   GLY A 565      31.217 -23.022 -12.123  1.00 44.53           N  
-ATOM    539  CA  GLY A 565      31.925 -22.130 -11.230  1.00 43.11           C  
-ATOM    540  C   GLY A 565      32.143 -22.673  -9.841  1.00 43.45           C  
-ATOM    541  O   GLY A 565      32.532 -21.927  -8.959  1.00 47.20           O  
-ATOM    542  N   ALA A 566      31.893 -23.963  -9.634  1.00 41.41           N  
-ATOM    543  CA  ALA A 566      32.106 -24.590  -8.341  1.00 40.31           C  
-ATOM    544  C   ALA A 566      33.166 -25.668  -8.532  1.00 40.82           C  
-ATOM    545  O   ALA A 566      32.988 -26.594  -9.324  1.00 41.98           O  
-ATOM    546  CB  ALA A 566      30.831 -25.164  -7.823  1.00 37.80           C  
-ATOM    547  N   GLU A 567      34.283 -25.522  -7.821  1.00 41.70           N  
-ATOM    548  CA  GLU A 567      35.433 -26.389  -7.985  1.00 39.44           C  
-ATOM    549  C   GLU A 567      35.286 -27.632  -7.127  1.00 37.53           C  
-ATOM    550  O   GLU A 567      34.991 -27.549  -5.932  1.00 35.04           O  
-ATOM    551  CB  GLU A 567      36.737 -25.649  -7.655  1.00 40.82           C  
-ATOM    552  CG  GLU A 567      37.101 -25.565  -6.182  1.00 42.56           C  
-ATOM    553  CD  GLU A 567      38.317 -24.650  -5.909  1.00 43.60           C  
-ATOM    554  OE1 GLU A 567      38.125 -23.691  -5.126  1.00 44.97           O  
-ATOM    555  OE2 GLU A 567      39.444 -24.892  -6.463  1.00 39.63           O  
-ATOM    556  N   THR A 568      35.478 -28.781  -7.763  1.00 35.10           N  
-ATOM    557  CA  THR A 568      35.459 -30.058  -7.099  1.00 35.54           C  
-ATOM    558  C   THR A 568      36.531 -30.875  -7.774  1.00 35.20           C  
-ATOM    559  O   THR A 568      36.687 -30.790  -9.000  1.00 37.45           O  
-ATOM    560  CB  THR A 568      34.080 -30.756  -7.291  1.00 36.63           C  
-ATOM    561  OG1 THR A 568      33.031 -29.923  -6.762  1.00 35.79           O  
-ATOM    562  CG2 THR A 568      34.058 -32.120  -6.613  1.00 34.15           C  
-ATOM    563  N   TYR A 569      37.266 -31.666  -6.998  1.00 35.25           N  
-ATOM    564  CA  TYR A 569      38.302 -32.559  -7.541  1.00 35.67           C  
-ATOM    565  C   TYR A 569      38.029 -33.987  -7.126  1.00 33.50           C  
-ATOM    566  O   TYR A 569      37.653 -34.223  -5.983  1.00 33.54           O  
-ATOM    567  CB  TYR A 569      39.687 -32.179  -7.005  1.00 40.39           C  
-ATOM    568  CG  TYR A 569      40.056 -30.733  -7.214  1.00 39.94           C  
-ATOM    569  CD1 TYR A 569      40.992 -30.357  -8.178  1.00 40.32           C  
-ATOM    570  CD2 TYR A 569      39.462 -29.749  -6.456  1.00 40.21           C  
-ATOM    571  CE1 TYR A 569      41.317 -29.025  -8.369  1.00 41.59           C  
-ATOM    572  CE2 TYR A 569      39.763 -28.425  -6.635  1.00 41.71           C  
-ATOM    573  CZ  TYR A 569      40.690 -28.060  -7.582  1.00 43.51           C  
-ATOM    574  OH  TYR A 569      40.969 -26.715  -7.720  1.00 44.63           O  
-ATOM    575  N   VAL A 570      38.229 -34.932  -8.042  1.00 31.09           N  
-ATOM    576  CA  VAL A 570      38.188 -36.359  -7.710  1.00 32.17           C  
-ATOM    577  C   VAL A 570      39.587 -36.938  -7.931  1.00 31.06           C  
-ATOM    578  O   VAL A 570      40.091 -36.932  -9.038  1.00 29.10           O  
-ATOM    579  CB  VAL A 570      37.139 -37.151  -8.580  1.00 30.64           C  
-ATOM    580  CG1 VAL A 570      37.216 -38.648  -8.285  1.00 26.69           C  
-ATOM    581  CG2 VAL A 570      35.724 -36.637  -8.345  1.00 28.24           C  
-ATOM    582  N   ASN A 571      40.217 -37.421  -6.868  1.00 35.68           N  
-ATOM    583  CA  ASN A 571      41.589 -37.979  -6.943  1.00 35.63           C  
-ATOM    584  C   ASN A 571      42.567 -37.022  -7.569  1.00 38.37           C  
-ATOM    585  O   ASN A 571      43.357 -37.396  -8.432  1.00 42.09           O  
-ATOM    586  CB  ASN A 571      41.587 -39.303  -7.706  1.00 33.32           C  
-ATOM    587  CG  ASN A 571      40.975 -40.407  -6.911  1.00 33.44           C  
-ATOM    588  OD1 ASN A 571      40.711 -40.261  -5.713  1.00 36.00           O  
-ATOM    589  ND2 ASN A 571      40.742 -41.517  -7.548  1.00 34.34           N  
-ATOM    590  N   GLY A 572      42.487 -35.767  -7.160  1.00 39.44           N  
-ATOM    591  CA  GLY A 572      43.386 -34.766  -7.671  1.00 40.93           C  
-ATOM    592  C   GLY A 572      42.977 -34.069  -8.948  1.00 42.32           C  
-ATOM    593  O   GLY A 572      43.374 -32.950  -9.142  1.00 43.26           O  
-ATOM    594  N   LYS A 573      42.202 -34.707  -9.824  1.00 43.52           N  
-ATOM    595  CA  LYS A 573      41.801 -34.054 -11.071  1.00 43.83           C  
-ATOM    596  C   LYS A 573      40.558 -33.200 -10.851  1.00 41.10           C  
-ATOM    597  O   LYS A 573      39.588 -33.650 -10.271  1.00 42.29           O  
-ATOM    598  CB  LYS A 573      41.553 -35.068 -12.200  1.00 51.16           C  
-ATOM    599  CG  LYS A 573      42.791 -35.851 -12.670  1.00 56.92           C  
-ATOM    600  CD  LYS A 573      42.981 -37.190 -11.899  1.00 61.04           C  
-ATOM    601  CE  LYS A 573      44.241 -38.006 -12.361  1.00 61.42           C  
-ATOM    602  NZ  LYS A 573      44.527 -39.180 -11.417  1.00 61.63           N  
-ATOM    603  N   LEU A 574      40.606 -31.958 -11.309  1.00 39.08           N  
-ATOM    604  CA  LEU A 574      39.458 -31.070 -11.273  1.00 37.63           C  
-ATOM    605  C   LEU A 574      38.432 -31.689 -12.166  1.00 36.96           C  
-ATOM    606  O   LEU A 574      38.739 -32.071 -13.268  1.00 37.55           O  
-ATOM    607  CB  LEU A 574      39.808 -29.663 -11.800  1.00 35.47           C  
-ATOM    608  CG  LEU A 574      38.639 -28.664 -11.914  1.00 35.68           C  
-ATOM    609  CD1 LEU A 574      38.265 -28.081 -10.520  1.00 30.00           C  
-ATOM    610  CD2 LEU A 574      38.960 -27.569 -12.926  1.00 31.05           C  
-ATOM    611  N   VAL A 575      37.212 -31.802 -11.679  1.00 39.32           N  
-ATOM    612  CA  VAL A 575      36.156 -32.366 -12.479  1.00 40.37           C  
-ATOM    613  C   VAL A 575      35.321 -31.227 -12.976  1.00 42.10           C  
-ATOM    614  O   VAL A 575      34.902 -30.333 -12.234  1.00 41.41           O  
-ATOM    615  CB  VAL A 575      35.293 -33.422 -11.728  1.00 39.98           C  
-ATOM    616  CG1 VAL A 575      36.198 -34.470 -11.087  1.00 40.40           C  
-ATOM    617  CG2 VAL A 575      34.400 -32.781 -10.707  1.00 39.53           C  
-ATOM    618  N   THR A 576      35.077 -31.290 -14.260  1.00 45.05           N  
-ATOM    619  CA  THR A 576      34.501 -30.213 -14.992  1.00 47.67           C  
-ATOM    620  C   THR A 576      33.176 -30.676 -15.683  1.00 48.29           C  
-ATOM    621  O   THR A 576      32.312 -29.864 -16.001  1.00 49.55           O  
-ATOM    622  CB  THR A 576      35.578 -29.731 -15.982  1.00 49.92           C  
-ATOM    623  OG1 THR A 576      35.015 -28.745 -16.833  1.00 56.54           O  
-ATOM    624  CG2 THR A 576      36.159 -30.918 -16.832  1.00 48.30           C  
-ATOM    625  N   GLU A 577      33.048 -31.989 -15.898  1.00 48.08           N  
-ATOM    626  CA  GLU A 577      31.849 -32.641 -16.418  1.00 45.28           C  
-ATOM    627  C   GLU A 577      31.431 -33.745 -15.446  1.00 41.17           C  
-ATOM    628  O   GLU A 577      32.207 -34.114 -14.578  1.00 37.12           O  
-ATOM    629  CB  GLU A 577      32.151 -33.255 -17.787  1.00 48.69           C  
-ATOM    630  CG  GLU A 577      32.454 -32.230 -18.884  1.00 54.61           C  
-ATOM    631  CD  GLU A 577      31.189 -31.444 -19.374  1.00 59.09           C  
-ATOM    632  OE1 GLU A 577      30.164 -31.355 -18.644  1.00 59.00           O  
-ATOM    633  OE2 GLU A 577      31.233 -30.911 -20.508  1.00 61.43           O  
-ATOM    634  N   PRO A 578      30.196 -34.278 -15.583  1.00 39.43           N  
-ATOM    635  CA  PRO A 578      29.793 -35.406 -14.729  1.00 38.79           C  
-ATOM    636  C   PRO A 578      30.663 -36.639 -14.918  1.00 36.49           C  
-ATOM    637  O   PRO A 578      31.206 -36.868 -15.987  1.00 37.20           O  
-ATOM    638  CB  PRO A 578      28.351 -35.685 -15.167  1.00 35.88           C  
-ATOM    639  CG  PRO A 578      27.895 -34.409 -15.778  1.00 33.88           C  
-ATOM    640  CD  PRO A 578      29.094 -33.874 -16.471  1.00 35.79           C  
-ATOM    641  N   LEU A 579      30.738 -37.437 -13.869  1.00 37.19           N  
-ATOM    642  CA  LEU A 579      31.759 -38.436 -13.701  1.00 33.60           C  
-ATOM    643  C   LEU A 579      31.170 -39.550 -12.822  1.00 34.06           C  
-ATOM    644  O   LEU A 579      30.488 -39.257 -11.846  1.00 32.48           O  
-ATOM    645  CB  LEU A 579      32.902 -37.767 -12.947  1.00 36.34           C  
-ATOM    646  CG  LEU A 579      34.096 -38.637 -12.596  1.00 36.24           C  
-ATOM    647  CD1 LEU A 579      34.650 -39.227 -13.908  1.00 37.29           C  
-ATOM    648  CD2 LEU A 579      35.100 -37.823 -11.866  1.00 30.52           C  
-ATOM    649  N   VAL A 580      31.436 -40.810 -13.151  1.00 32.84           N  
-ATOM    650  CA  VAL A 580      31.009 -41.925 -12.309  1.00 30.51           C  
-ATOM    651  C   VAL A 580      32.054 -42.144 -11.216  1.00 31.49           C  
-ATOM    652  O   VAL A 580      33.212 -42.395 -11.514  1.00 33.63           O  
-ATOM    653  CB  VAL A 580      30.865 -43.265 -13.119  1.00 27.95           C  
-ATOM    654  CG1 VAL A 580      30.620 -44.439 -12.160  1.00 22.64           C  
-ATOM    655  CG2 VAL A 580      29.791 -43.164 -14.169  1.00 22.96           C  
-ATOM    656  N   LEU A 581      31.629 -42.082  -9.956  1.00 32.61           N  
-ATOM    657  CA  LEU A 581      32.509 -42.303  -8.821  1.00 30.46           C  
-ATOM    658  C   LEU A 581      32.816 -43.790  -8.566  1.00 32.47           C  
-ATOM    659  O   LEU A 581      32.072 -44.670  -8.983  1.00 34.82           O  
-ATOM    660  CB  LEU A 581      31.880 -41.703  -7.571  1.00 29.28           C  
-ATOM    661  CG  LEU A 581      31.641 -40.210  -7.555  1.00 29.61           C  
-ATOM    662  CD1 LEU A 581      31.023 -39.822  -6.222  1.00 27.28           C  
-ATOM    663  CD2 LEU A 581      32.945 -39.464  -7.805  1.00 30.36           C  
-ATOM    664  N   LYS A 582      33.905 -44.045  -7.839  1.00 32.66           N  
-ATOM    665  CA  LYS A 582      34.327 -45.393  -7.488  1.00 32.69           C  
-ATOM    666  C   LYS A 582      34.774 -45.453  -6.051  1.00 33.31           C  
-ATOM    667  O   LYS A 582      35.365 -44.514  -5.535  1.00 35.61           O  
-ATOM    668  CB  LYS A 582      35.478 -45.831  -8.354  1.00 34.46           C  
-ATOM    669  CG  LYS A 582      35.133 -45.989  -9.808  1.00 36.59           C  
-ATOM    670  CD  LYS A 582      34.104 -47.075 -10.079  1.00 39.03           C  
-ATOM    671  CE  LYS A 582      34.045 -47.319 -11.582  1.00 41.55           C  
-ATOM    672  NZ  LYS A 582      32.697 -47.667 -12.091  1.00 43.82           N  
-ATOM    673  N   SER A 583      34.496 -46.568  -5.400  1.00 33.20           N  
-ATOM    674  CA  SER A 583      34.820 -46.716  -4.000  1.00 34.70           C  
-ATOM    675  C   SER A 583      36.303 -46.437  -3.824  1.00 33.85           C  
-ATOM    676  O   SER A 583      37.112 -46.950  -4.583  1.00 34.93           O  
-ATOM    677  CB  SER A 583      34.488 -48.127  -3.521  1.00 34.59           C  
-ATOM    678  OG  SER A 583      34.699 -48.216  -2.122  1.00 40.15           O  
-ATOM    679  N   GLY A 584      36.652 -45.614  -2.843  1.00 32.71           N  
-ATOM    680  CA  GLY A 584      38.036 -45.177  -2.660  1.00 31.69           C  
-ATOM    681  C   GLY A 584      38.327 -43.762  -3.150  1.00 31.29           C  
-ATOM    682  O   GLY A 584      39.203 -43.094  -2.611  1.00 34.30           O  
-ATOM    683  N   ASN A 585      37.608 -43.296  -4.170  1.00 31.66           N  
-ATOM    684  CA  ASN A 585      37.786 -41.929  -4.681  1.00 31.79           C  
-ATOM    685  C   ASN A 585      37.823 -40.879  -3.580  1.00 33.17           C  
-ATOM    686  O   ASN A 585      37.046 -40.932  -2.630  1.00 31.19           O  
-ATOM    687  CB  ASN A 585      36.656 -41.549  -5.621  1.00 32.15           C  
-ATOM    688  CG  ASN A 585      36.771 -42.181  -6.986  1.00 32.14           C  
-ATOM    689  OD1 ASN A 585      35.944 -41.896  -7.869  1.00 33.67           O  
-ATOM    690  ND2 ASN A 585      37.779 -43.021  -7.185  1.00 27.16           N  
-ATOM    691  N   ARG A 586      38.731 -39.920  -3.729  1.00 37.02           N  
-ATOM    692  CA  ARG A 586      38.869 -38.818  -2.792  1.00 36.62           C  
-ATOM    693  C   ARG A 586      38.304 -37.588  -3.474  1.00 35.41           C  
-ATOM    694  O   ARG A 586      38.659 -37.283  -4.609  1.00 36.00           O  
-ATOM    695  CB  ARG A 586      40.334 -38.635  -2.473  1.00 40.35           C  
-ATOM    696  CG  ARG A 586      40.684 -37.538  -1.497  1.00 41.61           C  
-ATOM    697  CD  ARG A 586      42.202 -37.625  -1.159  1.00 44.97           C  
-ATOM    698  NE  ARG A 586      42.653 -36.547  -0.260  1.00 47.91           N  
-ATOM    699  CZ  ARG A 586      42.965 -35.304  -0.666  1.00 49.57           C  
-ATOM    700  NH1 ARG A 586      42.882 -34.948  -1.965  1.00 49.49           N  
-ATOM    701  NH2 ARG A 586      43.348 -34.403   0.234  1.00 48.12           N  
-ATOM    702  N   ILE A 587      37.407 -36.901  -2.789  1.00 33.03           N  
-ATOM    703  CA  ILE A 587      36.676 -35.762  -3.351  1.00 32.24           C  
-ATOM    704  C   ILE A 587      36.948 -34.536  -2.500  1.00 32.75           C  
-ATOM    705  O   ILE A 587      36.757 -34.563  -1.268  1.00 33.28           O  
-ATOM    706  CB  ILE A 587      35.146 -36.014  -3.329  1.00 31.93           C  
-ATOM    707  CG1 ILE A 587      34.839 -37.378  -3.969  1.00 32.43           C  
-ATOM    708  CG2 ILE A 587      34.400 -34.850  -3.986  1.00 29.54           C  
-ATOM    709  CD1 ILE A 587      33.414 -37.646  -4.110  1.00 33.11           C  
-ATOM    710  N   VAL A 588      37.407 -33.469  -3.142  1.00 31.54           N  
-ATOM    711  CA  VAL A 588      37.649 -32.212  -2.461  1.00 30.30           C  
-ATOM    712  C   VAL A 588      36.674 -31.261  -3.076  1.00 29.16           C  
-ATOM    713  O   VAL A 588      36.554 -31.236  -4.297  1.00 30.32           O  
-ATOM    714  CB  VAL A 588      39.106 -31.693  -2.702  1.00 31.01           C  
-ATOM    715  CG1 VAL A 588      39.292 -30.236  -2.136  1.00 26.45           C  
-ATOM    716  CG2 VAL A 588      40.116 -32.688  -2.125  1.00 23.77           C  
-ATOM    717  N   MET A 589      35.955 -30.509  -2.245  1.00 30.53           N  
-ATOM    718  CA  MET A 589      35.026 -29.487  -2.718  1.00 33.15           C  
-ATOM    719  C   MET A 589      35.475 -28.185  -2.151  1.00 33.91           C  
-ATOM    720  O   MET A 589      35.704 -28.082  -0.952  1.00 35.52           O  
-ATOM    721  CB  MET A 589      33.615 -29.791  -2.263  1.00 35.53           C  
-ATOM    722  CG  MET A 589      33.113 -31.073  -2.876  1.00 37.97           C  
-ATOM    723  SD  MET A 589      31.625 -31.656  -2.119  1.00 40.37           S  
-ATOM    724  CE  MET A 589      31.829 -33.412  -2.332  1.00 39.46           C  
-ATOM    725  N   GLY A 590      35.611 -27.186  -3.009  1.00 35.48           N  
-ATOM    726  CA  GLY A 590      36.208 -25.944  -2.599  1.00 37.70           C  
-ATOM    727  C   GLY A 590      37.656 -26.245  -2.257  1.00 38.58           C  
-ATOM    728  O   GLY A 590      38.327 -27.026  -2.963  1.00 38.16           O  
-ATOM    729  N   LYS A 591      38.146 -25.626  -1.184  1.00 38.16           N  
-ATOM    730  CA  LYS A 591      39.511 -25.872  -0.746  1.00 39.64           C  
-ATOM    731  C   LYS A 591      39.556 -26.375   0.689  1.00 40.14           C  
-ATOM    732  O   LYS A 591      40.611 -26.779   1.159  1.00 40.24           O  
-ATOM    733  CB  LYS A 591      40.358 -24.604  -0.922  1.00 38.34           C  
-ATOM    734  CG  LYS A 591      40.223 -24.003  -2.308  1.00 39.46           C  
-ATOM    735  CD  LYS A 591      41.116 -22.801  -2.537  1.00 39.27           C  
-ATOM    736  CE  LYS A 591      40.833 -22.175  -3.904  1.00 37.93           C  
-ATOM    737  NZ  LYS A 591      41.233 -23.074  -4.997  1.00 35.34           N  
-ATOM    738  N   ASN A 592      38.410 -26.391   1.365  1.00 41.88           N  
-ATOM    739  CA  ASN A 592      38.358 -26.764   2.776  1.00 44.26           C  
-ATOM    740  C   ASN A 592      37.540 -28.013   3.126  1.00 45.30           C  
-ATOM    741  O   ASN A 592      37.292 -28.274   4.307  1.00 45.47           O  
-ATOM    742  CB  ASN A 592      37.840 -25.560   3.565  1.00 46.63           C  
-ATOM    743  CG  ASN A 592      38.801 -24.396   3.513  1.00 47.14           C  
-ATOM    744  OD1 ASN A 592      39.937 -24.509   3.989  1.00 49.48           O  
-ATOM    745  ND2 ASN A 592      38.372 -23.281   2.908  1.00 43.69           N  
-ATOM    746  N   HIS A 593      37.132 -28.790   2.121  1.00 45.11           N  
-ATOM    747  CA  HIS A 593      36.296 -29.975   2.367  1.00 42.19           C  
-ATOM    748  C   HIS A 593      36.830 -31.169   1.610  1.00 40.68           C  
-ATOM    749  O   HIS A 593      36.808 -31.180   0.385  1.00 42.97           O  
-ATOM    750  CB  HIS A 593      34.853 -29.688   1.996  1.00 41.20           C  
-ATOM    751  CG  HIS A 593      34.277 -28.523   2.732  1.00 42.52           C  
-ATOM    752  ND1 HIS A 593      33.745 -28.634   3.996  1.00 43.04           N  
-ATOM    753  CD2 HIS A 593      34.176 -27.212   2.395  1.00 44.30           C  
-ATOM    754  CE1 HIS A 593      33.321 -27.447   4.400  1.00 43.02           C  
-ATOM    755  NE2 HIS A 593      33.571 -26.567   3.448  1.00 42.81           N  
-ATOM    756  N   VAL A 594      37.326 -32.153   2.358  1.00 36.50           N  
-ATOM    757  CA  VAL A 594      37.840 -33.384   1.799  1.00 35.82           C  
-ATOM    758  C   VAL A 594      37.028 -34.594   2.257  1.00 35.41           C  
-ATOM    759  O   VAL A 594      36.798 -34.802   3.466  1.00 33.04           O  
-ATOM    760  CB  VAL A 594      39.308 -33.621   2.221  1.00 35.48           C  
-ATOM    761  CG1 VAL A 594      39.932 -34.796   1.389  1.00 30.08           C  
-ATOM    762  CG2 VAL A 594      40.096 -32.332   2.068  1.00 33.49           C  
-ATOM    763  N   PHE A 595      36.630 -35.414   1.291  1.00 35.00           N  
-ATOM    764  CA  PHE A 595      35.884 -36.623   1.585  1.00 35.51           C  
-ATOM    765  C   PHE A 595      36.474 -37.845   0.943  1.00 33.17           C  
-ATOM    766  O   PHE A 595      37.226 -37.744  -0.014  1.00 32.30           O  
-ATOM    767  CB  PHE A 595      34.464 -36.482   1.062  1.00 36.83           C  
-ATOM    768  CG  PHE A 595      33.730 -35.325   1.635  1.00 36.37           C  
-ATOM    769  CD1 PHE A 595      33.117 -35.426   2.864  1.00 37.62           C  
-ATOM    770  CD2 PHE A 595      33.644 -34.138   0.942  1.00 37.74           C  
-ATOM    771  CE1 PHE A 595      32.433 -34.362   3.398  1.00 38.41           C  
-ATOM    772  CE2 PHE A 595      32.956 -33.066   1.469  1.00 38.81           C  
-ATOM    773  CZ  PHE A 595      32.352 -33.175   2.700  1.00 37.10           C  
-ATOM    774  N   ARG A 596      36.108 -39.010   1.465  1.00 35.54           N  
-ATOM    775  CA  ARG A 596      36.182 -40.239   0.672  1.00 37.46           C  
-ATOM    776  C   ARG A 596      34.790 -40.733   0.310  1.00 34.58           C  
-ATOM    777  O   ARG A 596      33.868 -40.686   1.113  1.00 34.02           O  
-ATOM    778  CB  ARG A 596      36.966 -41.343   1.374  1.00 38.62           C  
-ATOM    779  CG  ARG A 596      37.833 -42.107   0.379  1.00 41.86           C  
-ATOM    780  CD  ARG A 596      38.416 -43.385   0.910  1.00 43.55           C  
-ATOM    781  NE  ARG A 596      39.088 -43.194   2.187  1.00 47.65           N  
-ATOM    782  CZ  ARG A 596      40.286 -42.626   2.348  1.00 50.46           C  
-ATOM    783  NH1 ARG A 596      40.979 -42.158   1.295  1.00 49.25           N  
-ATOM    784  NH2 ARG A 596      40.788 -42.514   3.584  1.00 49.67           N  
-ATOM    785  N   PHE A 597      34.654 -41.173  -0.925  1.00 34.19           N  
-ATOM    786  CA  PHE A 597      33.495 -41.918  -1.356  1.00 36.94           C  
-ATOM    787  C   PHE A 597      33.752 -43.410  -1.114  1.00 38.10           C  
-ATOM    788  O   PHE A 597      34.716 -43.981  -1.620  1.00 37.12           O  
-ATOM    789  CB  PHE A 597      33.218 -41.665  -2.827  1.00 33.82           C  
-ATOM    790  CG  PHE A 597      32.103 -42.484  -3.368  1.00 34.25           C  
-ATOM    791  CD1 PHE A 597      32.361 -43.630  -4.097  1.00 34.42           C  
-ATOM    792  CD2 PHE A 597      30.779 -42.115  -3.143  1.00 34.60           C  
-ATOM    793  CE1 PHE A 597      31.331 -44.399  -4.602  1.00 33.09           C  
-ATOM    794  CE2 PHE A 597      29.742 -42.877  -3.655  1.00 33.90           C  
-ATOM    795  CZ  PHE A 597      30.020 -44.021  -4.384  1.00 33.37           C  
-ATOM    796  N   ASN A 598      32.876 -44.024  -0.332  1.00 42.71           N  
-ATOM    797  CA  ASN A 598      32.989 -45.421   0.041  1.00 45.87           C  
-ATOM    798  C   ASN A 598      31.744 -46.136  -0.361  1.00 49.10           C  
-ATOM    799  O   ASN A 598      30.647 -45.756   0.023  1.00 47.40           O  
-ATOM    800  CB  ASN A 598      33.174 -45.534   1.546  1.00 51.00           C  
-ATOM    801  CG  ASN A 598      34.605 -45.249   1.970  1.00 57.61           C  
-ATOM    802  OD1 ASN A 598      35.537 -45.900   1.469  1.00 63.68           O  
-ATOM    803  ND2 ASN A 598      34.803 -44.266   2.879  1.00 58.17           N  
-ATOM    804  N   HIS A 599      31.895 -47.175  -1.145  1.00 54.35           N  
-ATOM    805  CA  HIS A 599      30.735 -47.891  -1.591  1.00 59.72           C  
-ATOM    806  C   HIS A 599      30.666 -49.241  -0.922  1.00 61.88           C  
-ATOM    807  O   HIS A 599      29.823 -49.437  -0.022  1.00 66.43           O  
-ATOM    808  CB  HIS A 599      30.781 -48.058  -3.079  1.00 62.88           C  
-ATOM    809  CG  HIS A 599      29.460 -48.360  -3.664  1.00 65.08           C  
-ATOM    810  ND1 HIS A 599      29.056 -47.847  -4.876  1.00 67.36           N  
-ATOM    811  CD2 HIS A 599      28.428 -49.101  -3.193  1.00 67.03           C  
-ATOM    812  CE1 HIS A 599      27.835 -48.282  -5.139  1.00 69.87           C  
-ATOM    813  NE2 HIS A 599      27.433 -49.047  -4.135  1.00 68.89           N  
-ATOM    814  OXT HIS A 599      31.442 -50.137  -1.282  1.00 58.61           O  

Deleted: SwiftApps/modFTDock/input/2jrj-1.pdb
===================================================================
--- SwiftApps/modFTDock/input/2jrj-1.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/2jrj-1.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,813 +0,0 @@
-ATOM      1  N   GLU A  10     -14.240  -2.580  17.725  1.00  0.00           N  
-ATOM      2  CA  GLU A  10     -13.842  -1.928  16.459  1.00  0.00           C  
-ATOM      3  C   GLU A  10     -13.470  -2.987  15.427  1.00  0.00           C  
-ATOM      4  O   GLU A  10     -12.742  -3.931  15.735  1.00  0.00           O  
-ATOM      5  CB  GLU A  10     -12.665  -0.973  16.704  1.00  0.00           C  
-ATOM      6  CG  GLU A  10     -12.219  -0.211  15.461  1.00  0.00           C  
-ATOM      7  CD  GLU A  10     -11.178   0.851  15.765  1.00  0.00           C  
-ATOM      8  OE1 GLU A  10      -9.970   0.537  15.735  1.00  0.00           O  
-ATOM      9  OE2 GLU A  10     -11.566   2.009  16.038  1.00  0.00           O  
-ATOM     10  H1  GLU A  10     -14.472  -1.865  18.441  1.00  0.00           H  
-ATOM     11  H2  GLU A  10     -13.465  -3.173  18.080  1.00  0.00           H  
-ATOM     12  H3  GLU A  10     -15.076  -3.180  17.568  1.00  0.00           H  
-ATOM     13  HA  GLU A  10     -14.688  -1.363  16.091  1.00  0.00           H  
-ATOM     14  HB2 GLU A  10     -12.955  -0.252  17.455  1.00  0.00           H  
-ATOM     15  HB3 GLU A  10     -11.823  -1.542  17.073  1.00  0.00           H  
-ATOM     16  HG2 GLU A  10     -11.801  -0.913  14.753  1.00  0.00           H  
-ATOM     17  HG3 GLU A  10     -13.083   0.267  15.019  1.00  0.00           H  
-ATOM     18  N   ASN A  11     -13.979  -2.836  14.206  1.00  0.00           N  
-ATOM     19  CA  ASN A  11     -13.734  -3.811  13.149  1.00  0.00           C  
-ATOM     20  C   ASN A  11     -12.309  -3.677  12.623  1.00  0.00           C  
-ATOM     21  O   ASN A  11     -12.057  -2.974  11.641  1.00  0.00           O  
-ATOM     22  CB  ASN A  11     -14.741  -3.651  11.999  1.00  0.00           C  
-ATOM     23  CG  ASN A  11     -16.177  -3.918  12.421  1.00  0.00           C  
-ATOM     24  OD1 ASN A  11     -16.436  -4.681  13.354  1.00  0.00           O  
-ATOM     25  ND2 ASN A  11     -17.122  -3.302  11.729  1.00  0.00           N  
-ATOM     26  H   ASN A  11     -14.521  -2.042  14.007  1.00  0.00           H  
-ATOM     27  HA  ASN A  11     -13.850  -4.798  13.579  1.00  0.00           H  
-ATOM     28  HB2 ASN A  11     -14.682  -2.641  11.618  1.00  0.00           H  
-ATOM     29  HB3 ASN A  11     -14.485  -4.341  11.207  1.00  0.00           H  
-ATOM     30 HD21 ASN A  11     -16.847  -2.715  10.991  1.00  0.00           H  
-ATOM     31 HD22 ASN A  11     -18.057  -3.456  11.981  1.00  0.00           H  
-ATOM     32  N   VAL A  12     -11.378  -4.330  13.308  1.00  0.00           N  
-ATOM     33  CA  VAL A  12      -9.970  -4.313  12.920  1.00  0.00           C  
-ATOM     34  C   VAL A  12      -9.635  -5.521  12.049  1.00  0.00           C  
-ATOM     35  O   VAL A  12      -8.592  -5.559  11.394  1.00  0.00           O  
-ATOM     36  CB  VAL A  12      -9.041  -4.299  14.161  1.00  0.00           C  
-ATOM     37  CG1 VAL A  12      -9.293  -3.051  15.005  1.00  0.00           C  
-ATOM     38  CG2 VAL A  12      -9.224  -5.568  14.997  1.00  0.00           C  
-ATOM     39  H   VAL A  12     -11.646  -4.835  14.108  1.00  0.00           H  
-ATOM     40  HA  VAL A  12      -9.788  -3.411  12.350  1.00  0.00           H  
-ATOM     41  HB  VAL A  12      -8.016  -4.267  13.815  1.00  0.00           H  
-ATOM     42 HG11 VAL A  12     -10.318  -3.046  15.348  1.00  0.00           H  
-ATOM     43 HG12 VAL A  12      -9.110  -2.168  14.409  1.00  0.00           H  
-ATOM     44 HG13 VAL A  12      -8.629  -3.051  15.858  1.00  0.00           H  
-ATOM     45 HG21 VAL A  12      -8.981  -6.435  14.398  1.00  0.00           H  
-ATOM     46 HG22 VAL A  12     -10.249  -5.639  15.330  1.00  0.00           H  
-ATOM     47 HG23 VAL A  12      -8.569  -5.532  15.856  1.00  0.00           H  
-ATOM     48  N   SER A  13     -10.531  -6.507  12.052  1.00  0.00           N  
-ATOM     49  CA  SER A  13     -10.360  -7.713  11.245  1.00  0.00           C  
-ATOM     50  C   SER A  13     -10.506  -7.401   9.753  1.00  0.00           C  
-ATOM     51  O   SER A  13     -10.108  -8.198   8.900  1.00  0.00           O  
-ATOM     52  CB  SER A  13     -11.373  -8.780  11.672  1.00  0.00           C  
-ATOM     53  OG  SER A  13     -11.167  -9.165  13.024  1.00  0.00           O  
-ATOM     54  H   SER A  13     -11.327  -6.426  12.620  1.00  0.00           H  
-ATOM     55  HA  SER A  13      -9.361  -8.089  11.423  1.00  0.00           H  
-ATOM     56  HB2 SER A  13     -12.375  -8.387  11.573  1.00  0.00           H  
-ATOM     57  HB3 SER A  13     -11.266  -9.653  11.043  1.00  0.00           H  
-ATOM     58  HG  SER A  13     -10.455  -9.818  13.060  1.00  0.00           H  
-ATOM     59  N   GLN A  14     -11.084  -6.242   9.445  1.00  0.00           N  
-ATOM     60  CA  GLN A  14     -11.214  -5.786   8.065  1.00  0.00           C  
-ATOM     61  C   GLN A  14     -10.255  -4.622   7.819  1.00  0.00           C  
-ATOM     62  O   GLN A  14     -10.353  -3.570   8.455  1.00  0.00           O  
-ATOM     63  CB  GLN A  14     -12.668  -5.403   7.748  1.00  0.00           C  
-ATOM     64  CG  GLN A  14     -13.274  -4.352   8.672  1.00  0.00           C  
-ATOM     65  CD  GLN A  14     -14.752  -4.120   8.397  1.00  0.00           C  
-ATOM     66  OE1 GLN A  14     -15.472  -5.034   7.989  1.00  0.00           O  
-ATOM     67  NE2 GLN A  14     -15.214  -2.898   8.611  1.00  0.00           N  
-ATOM     68  H   GLN A  14     -11.417  -5.670  10.166  1.00  0.00           H  
-ATOM     69  HA  GLN A  14     -10.924  -6.608   7.420  1.00  0.00           H  
-ATOM     70  HB2 GLN A  14     -12.713  -5.024   6.737  1.00  0.00           H  
-ATOM     71  HB3 GLN A  14     -13.277  -6.295   7.809  1.00  0.00           H  
-ATOM     72  HG2 GLN A  14     -13.162  -4.680   9.696  1.00  0.00           H  
-ATOM     73  HG3 GLN A  14     -12.745  -3.419   8.534  1.00  0.00           H  
-ATOM     74 HE21 GLN A  14     -14.589  -2.214   8.932  1.00  0.00           H  
-ATOM     75 HE22 GLN A  14     -16.161  -2.724   8.431  1.00  0.00           H  
-ATOM     76  N   GLN A  15      -9.326  -4.827   6.892  1.00  0.00           N  
-ATOM     77  CA  GLN A  15      -8.205  -3.915   6.695  1.00  0.00           C  
-ATOM     78  C   GLN A  15      -8.624  -2.653   5.946  1.00  0.00           C  
-ATOM     79  O   GLN A  15      -9.674  -2.612   5.299  1.00  0.00           O  
-ATOM     80  CB  GLN A  15      -7.078  -4.628   5.933  1.00  0.00           C  
-ATOM     81  CG  GLN A  15      -6.783  -6.033   6.451  1.00  0.00           C  
-ATOM     82  CD  GLN A  15      -6.542  -6.080   7.952  1.00  0.00           C  
-ATOM     83  OE1 GLN A  15      -6.017  -5.138   8.544  1.00  0.00           O  
-ATOM     84  NE2 GLN A  15      -6.932  -7.180   8.578  1.00  0.00           N  
-ATOM     85  H   GLN A  15      -9.402  -5.617   6.316  1.00  0.00           H  
-ATOM     86  HA  GLN A  15      -7.836  -3.631   7.670  1.00  0.00           H  
-ATOM     87  HB2 GLN A  15      -7.354  -4.704   4.889  1.00  0.00           H  
-ATOM     88  HB3 GLN A  15      -6.174  -4.040   6.014  1.00  0.00           H  
-ATOM     89  HG2 GLN A  15      -7.625  -6.671   6.219  1.00  0.00           H  
-ATOM     90  HG3 GLN A  15      -5.903  -6.410   5.949  1.00  0.00           H  
-ATOM     91 HE21 GLN A  15      -7.346  -7.894   8.046  1.00  0.00           H  
-ATOM     92 HE22 GLN A  15      -6.804  -7.231   9.547  1.00  0.00           H  
-ATOM     93  N   ASN A  16      -7.785  -1.630   6.039  1.00  0.00           N  
-ATOM     94  CA  ASN A  16      -8.013  -0.359   5.363  1.00  0.00           C  
-ATOM     95  C   ASN A  16      -6.697   0.165   4.799  1.00  0.00           C  
-ATOM     96  O   ASN A  16      -5.620  -0.300   5.173  1.00  0.00           O  
-ATOM     97  CB  ASN A  16      -8.634   0.679   6.319  1.00  0.00           C  
-ATOM     98  CG  ASN A  16      -7.795   0.946   7.565  1.00  0.00           C  
-ATOM     99  OD1 ASN A  16      -6.579   0.750   7.579  1.00  0.00           O  
-ATOM    100  ND2 ASN A  16      -8.437   1.423   8.620  1.00  0.00           N  
-ATOM    101  H   ASN A  16      -6.973  -1.733   6.579  1.00  0.00           H  
-ATOM    102  HA  ASN A  16      -8.695  -0.536   4.542  1.00  0.00           H  
-ATOM    103  HB2 ASN A  16      -8.757   1.614   5.790  1.00  0.00           H  
-ATOM    104  HB3 ASN A  16      -9.607   0.325   6.632  1.00  0.00           H  
-ATOM    105 HD21 ASN A  16      -9.404   1.582   8.545  1.00  0.00           H  
-ATOM    106 HD22 ASN A  16      -7.920   1.605   9.433  1.00  0.00           H  
-ATOM    107  N   CYS A  17      -6.788   1.104   3.872  1.00  0.00           N  
-ATOM    108  CA  CYS A  17      -5.608   1.752   3.323  1.00  0.00           C  
-ATOM    109  C   CYS A  17      -5.297   3.033   4.095  1.00  0.00           C  
-ATOM    110  O   CYS A  17      -5.994   4.036   3.933  1.00  0.00           O  
-ATOM    111  CB  CYS A  17      -5.827   2.108   1.856  1.00  0.00           C  
-ATOM    112  SG  CYS A  17      -4.481   3.119   1.172  1.00  0.00           S  
-ATOM    113  H   CYS A  17      -7.672   1.374   3.554  1.00  0.00           H  
-ATOM    114  HA  CYS A  17      -4.770   1.068   3.396  1.00  0.00           H  
-ATOM    115  HB2 CYS A  17      -5.894   1.201   1.272  1.00  0.00           H  
-ATOM    116  HB3 CYS A  17      -6.745   2.670   1.755  1.00  0.00           H  
-ATOM    117  N   PRO A  18      -4.220   3.045   4.903  1.00  0.00           N  
-ATOM    118  CA  PRO A  18      -3.815   4.242   5.651  1.00  0.00           C  
-ATOM    119  C   PRO A  18      -3.204   5.296   4.729  1.00  0.00           C  
-ATOM    120  O   PRO A  18      -3.115   6.471   5.081  1.00  0.00           O  
-ATOM    121  CB  PRO A  18      -2.773   3.707   6.642  1.00  0.00           C  
-ATOM    122  CG  PRO A  18      -2.200   2.507   5.969  1.00  0.00           C  
-ATOM    123  CD  PRO A  18      -3.329   1.896   5.176  1.00  0.00           C  
-ATOM    124  HA  PRO A  18      -4.647   4.674   6.190  1.00  0.00           H  
-ATOM    125  HB2 PRO A  18      -2.019   4.460   6.826  1.00  0.00           H  
-ATOM    126  HB3 PRO A  18      -3.257   3.443   7.572  1.00  0.00           H  
-ATOM    127  HG2 PRO A  18      -1.396   2.804   5.309  1.00  0.00           H  
-ATOM    128  HG3 PRO A  18      -1.838   1.806   6.709  1.00  0.00           H  
-ATOM    129  HD2 PRO A  18      -2.958   1.469   4.255  1.00  0.00           H  
-ATOM    130  HD3 PRO A  18      -3.840   1.144   5.762  1.00  0.00           H  
-ATOM    131  N   ILE A  19      -2.815   4.859   3.528  1.00  0.00           N  
-ATOM    132  CA  ILE A  19      -2.169   5.735   2.551  1.00  0.00           C  
-ATOM    133  C   ILE A  19      -3.113   6.864   2.117  1.00  0.00           C  
-ATOM    134  O   ILE A  19      -2.663   7.918   1.671  1.00  0.00           O  
-ATOM    135  CB  ILE A  19      -1.695   4.943   1.293  1.00  0.00           C  
-ATOM    136  CG1 ILE A  19      -1.000   3.628   1.699  1.00  0.00           C  
-ATOM    137  CG2 ILE A  19      -0.752   5.800   0.443  1.00  0.00           C  
-ATOM    138  CD1 ILE A  19       0.264   3.815   2.513  1.00  0.00           C  
-ATOM    139  H   ILE A  19      -2.956   3.919   3.303  1.00  0.00           H  
-ATOM    140  HA  ILE A  19      -1.299   6.171   3.024  1.00  0.00           H  
-ATOM    141  HB  ILE A  19      -2.562   4.707   0.686  1.00  0.00           H  
-ATOM    142 HG12 ILE A  19      -1.684   3.037   2.290  1.00  0.00           H  
-ATOM    143 HG13 ILE A  19      -0.739   3.076   0.807  1.00  0.00           H  
-ATOM    144 HG21 ILE A  19       0.113   6.077   1.028  1.00  0.00           H  
-ATOM    145 HG22 ILE A  19      -1.267   6.694   0.120  1.00  0.00           H  
-ATOM    146 HG23 ILE A  19      -0.435   5.238  -0.424  1.00  0.00           H  
-ATOM    147 HD11 ILE A  19       0.037   4.370   3.412  1.00  0.00           H  
-ATOM    148 HD12 ILE A  19       0.993   4.358   1.930  1.00  0.00           H  
-ATOM    149 HD13 ILE A  19       0.665   2.848   2.780  1.00  0.00           H  
-ATOM    150  N   CYS A  20      -4.424   6.645   2.260  1.00  0.00           N  
-ATOM    151  CA  CYS A  20      -5.412   7.653   1.855  1.00  0.00           C  
-ATOM    152  C   CYS A  20      -6.781   7.401   2.504  1.00  0.00           C  
-ATOM    153  O   CYS A  20      -7.795   7.923   2.040  1.00  0.00           O  
-ATOM    154  CB  CYS A  20      -5.559   7.662   0.329  1.00  0.00           C  
-ATOM    155  SG  CYS A  20      -6.345   6.163  -0.333  1.00  0.00           S  
-ATOM    156  H   CYS A  20      -4.730   5.803   2.649  1.00  0.00           H  
-ATOM    157  HA  CYS A  20      -5.051   8.620   2.177  1.00  0.00           H  
-ATOM    158  HB2 CYS A  20      -6.162   8.509   0.034  1.00  0.00           H  
-ATOM    159  HB3 CYS A  20      -4.581   7.749  -0.122  1.00  0.00           H  
-ATOM    160  N   LEU A  21      -6.803   6.602   3.576  1.00  0.00           N  
-ATOM    161  CA  LEU A  21      -8.034   6.330   4.338  1.00  0.00           C  
-ATOM    162  C   LEU A  21      -9.131   5.690   3.472  1.00  0.00           C  
-ATOM    163  O   LEU A  21     -10.320   5.945   3.675  1.00  0.00           O  
-ATOM    164  CB  LEU A  21      -8.555   7.623   4.988  1.00  0.00           C  
-ATOM    165  CG  LEU A  21      -7.598   8.287   5.993  1.00  0.00           C  
-ATOM    166  CD1 LEU A  21      -8.214   9.560   6.566  1.00  0.00           C  
-ATOM    167  CD2 LEU A  21      -7.226   7.315   7.112  1.00  0.00           C  
-ATOM    168  H   LEU A  21      -5.969   6.195   3.880  1.00  0.00           H  
-ATOM    169  HA  LEU A  21      -7.776   5.634   5.123  1.00  0.00           H  
-ATOM    170  HB2 LEU A  21      -8.768   8.335   4.200  1.00  0.00           H  
-ATOM    171  HB3 LEU A  21      -9.479   7.396   5.501  1.00  0.00           H  
-ATOM    172  HG  LEU A  21      -6.688   8.566   5.479  1.00  0.00           H  
-ATOM    173 HD11 LEU A  21      -7.529  10.006   7.272  1.00  0.00           H  
-ATOM    174 HD12 LEU A  21      -9.141   9.320   7.068  1.00  0.00           H  
-ATOM    175 HD13 LEU A  21      -8.409  10.258   5.766  1.00  0.00           H  
-ATOM    176 HD21 LEU A  21      -6.735   6.449   6.691  1.00  0.00           H  
-ATOM    177 HD22 LEU A  21      -8.120   7.002   7.634  1.00  0.00           H  
-ATOM    178 HD23 LEU A  21      -6.557   7.803   7.807  1.00  0.00           H  
-ATOM    179  N   GLU A  22      -8.729   4.845   2.526  1.00  0.00           N  
-ATOM    180  CA  GLU A  22      -9.685   4.099   1.696  1.00  0.00           C  
-ATOM    181  C   GLU A  22      -9.764   2.645   2.156  1.00  0.00           C  
-ATOM    182  O   GLU A  22      -9.128   2.268   3.139  1.00  0.00           O  
-ATOM    183  CB  GLU A  22      -9.293   4.152   0.210  1.00  0.00           C  
-ATOM    184  CG  GLU A  22      -9.511   5.512  -0.442  1.00  0.00           C  
-ATOM    185  CD  GLU A  22      -9.309   5.476  -1.951  1.00  0.00           C  
-ATOM    186  OE1 GLU A  22     -10.241   5.062  -2.671  1.00  0.00           O  
-ATOM    187  OE2 GLU A  22      -8.220   5.859  -2.424  1.00  0.00           O  
-ATOM    188  H   GLU A  22      -7.776   4.705   2.393  1.00  0.00           H  
-ATOM    189  HA  GLU A  22     -10.660   4.551   1.819  1.00  0.00           H  
-ATOM    190  HB2 GLU A  22      -8.246   3.897   0.115  1.00  0.00           H  
-ATOM    191  HB3 GLU A  22      -9.879   3.422  -0.331  1.00  0.00           H  
-ATOM    192  HG2 GLU A  22     -10.522   5.836  -0.236  1.00  0.00           H  
-ATOM    193  HG3 GLU A  22      -8.815   6.220  -0.013  1.00  0.00           H  
-ATOM    194  N   ASP A  23     -10.532   1.836   1.434  1.00  0.00           N  
-ATOM    195  CA  ASP A  23     -10.683   0.411   1.746  1.00  0.00           C  
-ATOM    196  C   ASP A  23      -9.491  -0.389   1.209  1.00  0.00           C  
-ATOM    197  O   ASP A  23      -8.726   0.107   0.372  1.00  0.00           O  
-ATOM    198  CB  ASP A  23     -12.000  -0.120   1.148  1.00  0.00           C  
-ATOM    199  CG  ASP A  23     -12.249  -1.594   1.452  1.00  0.00           C  
-ATOM    200  OD1 ASP A  23     -12.800  -1.903   2.533  1.00  0.00           O  
-ATOM    201  OD2 ASP A  23     -11.898  -2.451   0.612  1.00  0.00           O  
-ATOM    202  H   ASP A  23     -11.018   2.204   0.663  1.00  0.00           H  
-ATOM    203  HA  ASP A  23     -10.717   0.307   2.822  1.00  0.00           H  
-ATOM    204  HB2 ASP A  23     -12.824   0.453   1.550  1.00  0.00           H  
-ATOM    205  HB3 ASP A  23     -11.975   0.010   0.074  1.00  0.00           H  
-ATOM    206  N   ILE A  24      -9.320  -1.609   1.722  1.00  0.00           N  
-ATOM    207  CA  ILE A  24      -8.278  -2.525   1.262  1.00  0.00           C  
-ATOM    208  C   ILE A  24      -8.622  -3.958   1.673  1.00  0.00           C  
-ATOM    209  O   ILE A  24      -9.331  -4.176   2.656  1.00  0.00           O  
-ATOM    210  CB  ILE A  24      -6.865  -2.117   1.798  1.00  0.00           C  
-ATOM    211  CG1 ILE A  24      -6.042  -1.467   0.670  1.00  0.00           C  
-ATOM    212  CG2 ILE A  24      -6.109  -3.302   2.410  1.00  0.00           C  
-ATOM    213  CD1 ILE A  24      -4.621  -1.126   1.057  1.00  0.00           C  
-ATOM    214  H   ILE A  24      -9.925  -1.911   2.432  1.00  0.00           H  
-ATOM    215  HA  ILE A  24      -8.259  -2.479   0.179  1.00  0.00           H  
-ATOM    216  HB  ILE A  24      -7.009  -1.386   2.581  1.00  0.00           H  
-ATOM    217 HG12 ILE A  24      -5.996  -2.144  -0.170  1.00  0.00           H  
-ATOM    218 HG13 ILE A  24      -6.528  -0.553   0.360  1.00  0.00           H  
-ATOM    219 HG21 ILE A  24      -6.688  -3.717   3.223  1.00  0.00           H  
-ATOM    220 HG22 ILE A  24      -5.152  -2.968   2.787  1.00  0.00           H  
-ATOM    221 HG23 ILE A  24      -5.953  -4.060   1.656  1.00  0.00           H  
-ATOM    222 HD11 ILE A  24      -4.626  -0.486   1.927  1.00  0.00           H  
-ATOM    223 HD12 ILE A  24      -4.143  -0.613   0.237  1.00  0.00           H  
-ATOM    224 HD13 ILE A  24      -4.079  -2.033   1.279  1.00  0.00           H  
-ATOM    225  N   HIS A  25      -8.119  -4.929   0.910  1.00  0.00           N  
-ATOM    226  CA  HIS A  25      -8.365  -6.343   1.183  1.00  0.00           C  
-ATOM    227  C   HIS A  25      -7.147  -7.179   0.790  1.00  0.00           C  
-ATOM    228  O   HIS A  25      -6.276  -6.708   0.057  1.00  0.00           O  
-ATOM    229  CB  HIS A  25      -9.631  -6.832   0.457  1.00  0.00           C  
-ATOM    230  CG  HIS A  25      -9.643  -6.581  -1.025  1.00  0.00           C  
-ATOM    231  ND1 HIS A  25      -9.906  -7.561  -1.955  1.00  0.00           N  
-ATOM    232  CD2 HIS A  25      -9.469  -5.439  -1.730  1.00  0.00           C  
-ATOM    233  CE1 HIS A  25      -9.894  -7.033  -3.164  1.00  0.00           C  
-ATOM    234  NE2 HIS A  25      -9.632  -5.743  -3.059  1.00  0.00           N  
-ATOM    235  H   HIS A  25      -7.548  -4.688   0.151  1.00  0.00           H  
-ATOM    236  HA  HIS A  25      -8.515  -6.449   2.250  1.00  0.00           H  
-ATOM    237  HB2 HIS A  25      -9.734  -7.895   0.610  1.00  0.00           H  
-ATOM    238  HB3 HIS A  25     -10.490  -6.331   0.881  1.00  0.00           H  
-ATOM    239  HD1 HIS A  25     -10.090  -8.510  -1.758  1.00  0.00           H  
-ATOM    240  HD2 HIS A  25      -9.239  -4.466  -1.321  1.00  0.00           H  
-ATOM    241  HE1 HIS A  25     -10.070  -7.567  -4.086  1.00  0.00           H  
-ATOM    242  HE2 HIS A  25      -9.855  -5.081  -3.752  1.00  0.00           H  
-ATOM    243  N   THR A  26      -7.106  -8.415   1.279  1.00  0.00           N  
-ATOM    244  CA  THR A  26      -5.937  -9.285   1.144  1.00  0.00           C  
-ATOM    245  C   THR A  26      -5.632  -9.662  -0.311  1.00  0.00           C  
-ATOM    246  O   THR A  26      -4.494 -10.004  -0.640  1.00  0.00           O  
-ATOM    247  CB  THR A  26      -6.131 -10.571   1.980  1.00  0.00           C  
-ATOM    248  OG1 THR A  26      -7.438 -11.110   1.734  1.00  0.00           O  
-ATOM    249  CG2 THR A  26      -5.966 -10.290   3.473  1.00  0.00           C  
-ATOM    250  H   THR A  26      -7.893  -8.761   1.751  1.00  0.00           H  
-ATOM    251  HA  THR A  26      -5.085  -8.754   1.545  1.00  0.00           H  
-ATOM    252  HB  THR A  26      -5.387 -11.298   1.680  1.00  0.00           H  
-ATOM    253  HG1 THR A  26      -7.352 -11.963   1.290  1.00  0.00           H  
-ATOM    254 HG21 THR A  26      -6.699  -9.561   3.787  1.00  0.00           H  
-ATOM    255 HG22 THR A  26      -4.973  -9.906   3.661  1.00  0.00           H  
-ATOM    256 HG23 THR A  26      -6.108 -11.205   4.030  1.00  0.00           H  
-ATOM    257  N   SER A  27      -6.646  -9.615  -1.172  1.00  0.00           N  
-ATOM    258  CA  SER A  27      -6.466  -9.938  -2.586  1.00  0.00           C  
-ATOM    259  C   SER A  27      -5.430  -9.007  -3.226  1.00  0.00           C  
-ATOM    260  O   SER A  27      -5.661  -7.802  -3.373  1.00  0.00           O  
-ATOM    261  CB  SER A  27      -7.803  -9.845  -3.328  1.00  0.00           C  
-ATOM    262  OG  SER A  27      -7.671 -10.240  -4.682  1.00  0.00           O  
-ATOM    263  H   SER A  27      -7.536  -9.366  -0.848  1.00  0.00           H  
-ATOM    264  HA  SER A  27      -6.103 -10.956  -2.646  1.00  0.00           H  
-ATOM    265  HB2 SER A  27      -8.524 -10.491  -2.850  1.00  0.00           H  
-ATOM    266  HB3 SER A  27      -8.160  -8.826  -3.298  1.00  0.00           H  
-ATOM    267  HG  SER A  27      -7.852 -11.186  -4.758  1.00  0.00           H  
-ATOM    268  N   ARG A  28      -4.291  -9.581  -3.612  1.00  0.00           N  
-ATOM    269  CA  ARG A  28      -3.162  -8.807  -4.133  1.00  0.00           C  
-ATOM    270  C   ARG A  28      -3.102  -8.860  -5.658  1.00  0.00           C  
-ATOM    271  O   ARG A  28      -2.072  -8.544  -6.265  1.00  0.00           O  
-ATOM    272  CB  ARG A  28      -1.829  -9.292  -3.530  1.00  0.00           C  
-ATOM    273  CG  ARG A  28      -1.507 -10.771  -3.758  1.00  0.00           C  
-ATOM    274  CD  ARG A  28      -2.236 -11.679  -2.772  1.00  0.00           C  
-ATOM    275  NE  ARG A  28      -1.889 -13.089  -2.966  1.00  0.00           N  
-ATOM    276  CZ  ARG A  28      -1.086 -13.782  -2.158  1.00  0.00           C  
-ATOM    277  NH1 ARG A  28      -0.478 -13.185  -1.137  1.00  0.00           N  
-ATOM    278  NH2 ARG A  28      -0.878 -15.070  -2.386  1.00  0.00           N  
-ATOM    279  H   ARG A  28      -4.217 -10.556  -3.561  1.00  0.00           H  
-ATOM    280  HA  ARG A  28      -3.313  -7.776  -3.841  1.00  0.00           H  
-ATOM    281  HB2 ARG A  28      -1.027  -8.707  -3.958  1.00  0.00           H  
-ATOM    282  HB3 ARG A  28      -1.851  -9.112  -2.463  1.00  0.00           H  
-ATOM    283  HG2 ARG A  28      -1.798 -11.043  -4.762  1.00  0.00           H  
-ATOM    284  HG3 ARG A  28      -0.440 -10.916  -3.643  1.00  0.00           H  
-ATOM    285  HD2 ARG A  28      -1.973 -11.385  -1.765  1.00  0.00           H  
-ATOM    286  HD3 ARG A  28      -3.301 -11.559  -2.913  1.00  0.00           H  
-ATOM    287  HE  ARG A  28      -2.294 -13.549  -3.738  1.00  0.00           H  
-ATOM    288 HH11 ARG A  28      -0.615 -12.204  -0.969  1.00  0.00           H  
-ATOM    289 HH12 ARG A  28       0.118 -13.714  -0.525  1.00  0.00           H  
-ATOM    290 HH21 ARG A  28      -1.328 -15.523  -3.162  1.00  0.00           H  
-ATOM    291 HH22 ARG A  28      -0.267 -15.598  -1.789  1.00  0.00           H  
-ATOM    292  N   VAL A  29      -4.202  -9.267  -6.279  1.00  0.00           N  
-ATOM    293  CA  VAL A  29      -4.310  -9.225  -7.734  1.00  0.00           C  
-ATOM    294  C   VAL A  29      -4.552  -7.786  -8.191  1.00  0.00           C  
-ATOM    295  O   VAL A  29      -4.051  -7.354  -9.234  1.00  0.00           O  
-ATOM    296  CB  VAL A  29      -5.440 -10.154  -8.255  1.00  0.00           C  
-ATOM    297  CG1 VAL A  29      -6.792  -9.769  -7.661  1.00  0.00           C  
-ATOM    298  CG2 VAL A  29      -5.492 -10.143  -9.783  1.00  0.00           C  
-ATOM    299  H   VAL A  29      -4.954  -9.608  -5.749  1.00  0.00           H  
-ATOM    300  HA  VAL A  29      -3.369  -9.568  -8.147  1.00  0.00           H  
-ATOM    301  HB  VAL A  29      -5.215 -11.163  -7.937  1.00  0.00           H  
-ATOM    302 HG11 VAL A  29      -6.742  -9.826  -6.583  1.00  0.00           H  
-ATOM    303 HG12 VAL A  29      -7.552 -10.448  -8.021  1.00  0.00           H  
-ATOM    304 HG13 VAL A  29      -7.044  -8.760  -7.955  1.00  0.00           H  
-ATOM    305 HG21 VAL A  29      -4.541 -10.468 -10.180  1.00  0.00           H  
-ATOM    306 HG22 VAL A  29      -5.705  -9.142 -10.132  1.00  0.00           H  
-ATOM    307 HG23 VAL A  29      -6.269 -10.814 -10.122  1.00  0.00           H  
-ATOM    308  N   VAL A  30      -5.311  -7.045  -7.387  1.00  0.00           N  
-ATOM    309  CA  VAL A  30      -5.577  -5.633  -7.645  1.00  0.00           C  
-ATOM    310  C   VAL A  30      -4.622  -4.762  -6.830  1.00  0.00           C  
-ATOM    311  O   VAL A  30      -4.018  -3.821  -7.351  1.00  0.00           O  
-ATOM    312  CB  VAL A  30      -7.040  -5.256  -7.298  1.00  0.00           C  
-ATOM    313  CG1 VAL A  30      -7.308  -3.778  -7.584  1.00  0.00           C  
-ATOM    314  CG2 VAL A  30      -8.020  -6.142  -8.065  1.00  0.00           C  
-ATOM    315  H   VAL A  30      -5.705  -7.463  -6.595  1.00  0.00           H  
-ATOM    316  HA  VAL A  30      -5.414  -5.444  -8.699  1.00  0.00           H  
-ATOM    317  HB  VAL A  30      -7.190  -5.426  -6.239  1.00  0.00           H  
-ATOM    318 HG11 VAL A  30      -8.335  -3.544  -7.344  1.00  0.00           H  
-ATOM    319 HG12 VAL A  30      -7.128  -3.574  -8.630  1.00  0.00           H  
-ATOM    320 HG13 VAL A  30      -6.651  -3.167  -6.981  1.00  0.00           H  
-ATOM    321 HG21 VAL A  30      -7.872  -6.007  -9.127  1.00  0.00           H  
-ATOM    322 HG22 VAL A  30      -9.034  -5.870  -7.806  1.00  0.00           H  
-ATOM    323 HG23 VAL A  30      -7.849  -7.177  -7.808  1.00  0.00           H  
-ATOM    324  N   ALA A  31      -4.485  -5.089  -5.546  1.00  0.00           N  
-ATOM    325  CA  ALA A  31      -3.592  -4.355  -4.655  1.00  0.00           C  
-ATOM    326  C   ALA A  31      -2.144  -4.778  -4.885  1.00  0.00           C  
-ATOM    327  O   ALA A  31      -1.814  -5.959  -4.788  1.00  0.00           O  
-ATOM    328  CB  ALA A  31      -3.991  -4.578  -3.198  1.00  0.00           C  
-ATOM    329  H   ALA A  31      -4.990  -5.848  -5.191  1.00  0.00           H  
-ATOM    330  HA  ALA A  31      -3.692  -3.300  -4.874  1.00  0.00           H  
-ATOM    331  HB1 ALA A  31      -5.015  -4.265  -3.051  1.00  0.00           H  
-ATOM    332  HB2 ALA A  31      -3.344  -4.000  -2.552  1.00  0.00           H  
-ATOM    333  HB3 ALA A  31      -3.898  -5.627  -2.953  1.00  0.00           H  
-ATOM    334  N   HIS A  32      -1.289  -3.810  -5.200  1.00  0.00           N  
-ATOM    335  CA  HIS A  32       0.124  -4.080  -5.447  1.00  0.00           C  
-ATOM    336  C   HIS A  32       0.834  -4.373  -4.126  1.00  0.00           C  
-ATOM    337  O   HIS A  32       0.576  -3.715  -3.116  1.00  0.00           O  
-ATOM    338  CB  HIS A  32       0.779  -2.884  -6.158  1.00  0.00           C  
-ATOM    339  CG  HIS A  32       2.172  -3.152  -6.661  1.00  0.00           C  
-ATOM    340  ND1 HIS A  32       2.471  -3.285  -7.999  1.00  0.00           N  
-ATOM    341  CD2 HIS A  32       3.349  -3.295  -6.002  1.00  0.00           C  
-ATOM    342  CE1 HIS A  32       3.764  -3.500  -8.141  1.00  0.00           C  
-ATOM    343  NE2 HIS A  32       4.321  -3.510  -6.946  1.00  0.00           N  
-ATOM    344  H   HIS A  32      -1.613  -2.888  -5.252  1.00  0.00           H  
-ATOM    345  HA  HIS A  32       0.192  -4.952  -6.084  1.00  0.00           H  
-ATOM    346  HB2 HIS A  32       0.172  -2.605  -7.006  1.00  0.00           H  
-ATOM    347  HB3 HIS A  32       0.828  -2.049  -5.472  1.00  0.00           H  
-ATOM    348  HD1 HIS A  32       1.830  -3.234  -8.740  1.00  0.00           H  
-ATOM    349  HD2 HIS A  32       3.493  -3.249  -4.932  1.00  0.00           H  
-ATOM    350  HE1 HIS A  32       4.281  -3.644  -9.078  1.00  0.00           H  
-ATOM    351  HE2 HIS A  32       5.237  -3.821  -6.758  1.00  0.00           H  
-ATOM    352  N   VAL A  33       1.716  -5.363  -4.139  1.00  0.00           N  
-ATOM    353  CA  VAL A  33       2.449  -5.763  -2.943  1.00  0.00           C  
-ATOM    354  C   VAL A  33       3.748  -4.969  -2.812  1.00  0.00           C  
-ATOM    355  O   VAL A  33       4.598  -5.009  -3.705  1.00  0.00           O  
-ATOM    356  CB  VAL A  33       2.795  -7.275  -2.971  1.00  0.00           C  
-ATOM    357  CG1 VAL A  33       3.387  -7.727  -1.635  1.00  0.00           C  
-ATOM    358  CG2 VAL A  33       1.569  -8.110  -3.335  1.00  0.00           C  
-ATOM    359  H   VAL A  33       1.880  -5.845  -4.977  1.00  0.00           H  
-ATOM    360  HA  VAL A  33       1.824  -5.571  -2.080  1.00  0.00           H  
-ATOM    361  HB  VAL A  33       3.545  -7.433  -3.735  1.00  0.00           H  
-ATOM    362 HG11 VAL A  33       4.288  -7.166  -1.430  1.00  0.00           H  
-ATOM    363 HG12 VAL A  33       3.625  -8.781  -1.684  1.00  0.00           H  
-ATOM    364 HG13 VAL A  33       2.670  -7.558  -0.845  1.00  0.00           H  
-ATOM    365 HG21 VAL A  33       0.800  -7.968  -2.591  1.00  0.00           H  
-ATOM    366 HG22 VAL A  33       1.842  -9.156  -3.373  1.00  0.00           H  
-ATOM    367 HG23 VAL A  33       1.196  -7.803  -4.302  1.00  0.00           H  
-ATOM    368  N   LEU A  34       3.886  -4.230  -1.717  1.00  0.00           N  
-ATOM    369  CA  LEU A  34       5.160  -3.601  -1.374  1.00  0.00           C  
-ATOM    370  C   LEU A  34       6.170  -4.684  -0.987  1.00  0.00           C  
-ATOM    371  O   LEU A  34       5.782  -5.735  -0.475  1.00  0.00           O  
-ATOM    372  CB  LEU A  34       5.001  -2.608  -0.207  1.00  0.00           C  
-ATOM    373  CG  LEU A  34       4.231  -1.310  -0.512  1.00  0.00           C  
-ATOM    374  CD1 LEU A  34       4.107  -0.461   0.754  1.00  0.00           C  
-ATOM    375  CD2 LEU A  34       4.919  -0.514  -1.626  1.00  0.00           C  
-ATOM    376  H   LEU A  34       3.111  -4.107  -1.126  1.00  0.00           H  
-ATOM    377  HA  LEU A  34       5.522  -3.075  -2.247  1.00  0.00           H  
-ATOM    378  HB2 LEU A  34       4.492  -3.119   0.598  1.00  0.00           H  
-ATOM    379  HB3 LEU A  34       5.991  -2.336   0.137  1.00  0.00           H  
-ATOM    380  HG  LEU A  34       3.232  -1.559  -0.844  1.00  0.00           H  
-ATOM    381 HD11 LEU A  34       5.093  -0.197   1.110  1.00  0.00           H  
-ATOM    382 HD12 LEU A  34       3.592  -1.024   1.519  1.00  0.00           H  
-ATOM    383 HD13 LEU A  34       3.550   0.438   0.535  1.00  0.00           H  
-ATOM    384 HD21 LEU A  34       4.366   0.397  -1.818  1.00  0.00           H  
-ATOM    385 HD22 LEU A  34       4.952  -1.107  -2.528  1.00  0.00           H  
-ATOM    386 HD23 LEU A  34       5.926  -0.263  -1.325  1.00  0.00           H  
-ATOM    387  N   PRO A  35       7.479  -4.437  -1.186  1.00  0.00           N  
-ATOM    388  CA  PRO A  35       8.520  -5.432  -0.889  1.00  0.00           C  
-ATOM    389  C   PRO A  35       8.632  -5.724   0.611  1.00  0.00           C  
-ATOM    390  O   PRO A  35       9.340  -6.643   1.025  1.00  0.00           O  
-ATOM    391  CB  PRO A  35       9.805  -4.786  -1.429  1.00  0.00           C  
-ATOM    392  CG  PRO A  35       9.525  -3.322  -1.441  1.00  0.00           C  
-ATOM    393  CD  PRO A  35       8.049  -3.177  -1.707  1.00  0.00           C  
-ATOM    394  HA  PRO A  35       8.333  -6.359  -1.414  1.00  0.00           H  
-ATOM    395  HB2 PRO A  35      10.639  -5.025  -0.782  1.00  0.00           H  
-ATOM    396  HB3 PRO A  35      10.004  -5.156  -2.426  1.00  0.00           H  
-ATOM    397  HG2 PRO A  35       9.778  -2.892  -0.481  1.00  0.00           H  
-ATOM    398  HG3 PRO A  35      10.095  -2.844  -2.225  1.00  0.00           H  
-ATOM    399  HD2 PRO A  35       7.652  -2.325  -1.173  1.00  0.00           H  
-ATOM    400  HD3 PRO A  35       7.859  -3.078  -2.765  1.00  0.00           H  
-ATOM    401  N   CYS A  36       7.931  -4.930   1.418  1.00  0.00           N  
-ATOM    402  CA  CYS A  36       7.886  -5.132   2.869  1.00  0.00           C  
-ATOM    403  C   CYS A  36       6.587  -5.848   3.268  1.00  0.00           C  
-ATOM    404  O   CYS A  36       6.248  -5.934   4.447  1.00  0.00           O  
-ATOM    405  CB  CYS A  36       8.014  -3.783   3.585  1.00  0.00           C  
-ATOM    406  SG  CYS A  36       8.103  -3.865   5.406  1.00  0.00           S  
-ATOM    407  H   CYS A  36       7.442  -4.176   1.029  1.00  0.00           H  
-ATOM    408  HA  CYS A  36       8.724  -5.758   3.146  1.00  0.00           H  
-ATOM    409  HB2 CYS A  36       8.909  -3.288   3.241  1.00  0.00           H  
-ATOM    410  HB3 CYS A  36       7.156  -3.174   3.329  1.00  0.00           H  
-ATOM    411  N   GLY A  37       5.851  -6.337   2.263  1.00  0.00           N  
-ATOM    412  CA  GLY A  37       4.716  -7.224   2.506  1.00  0.00           C  
-ATOM    413  C   GLY A  37       3.376  -6.515   2.657  1.00  0.00           C  
-ATOM    414  O   GLY A  37       2.382  -7.148   3.015  1.00  0.00           O  
-ATOM    415  H   GLY A  37       6.083  -6.096   1.342  1.00  0.00           H  
-ATOM    416  HA2 GLY A  37       4.642  -7.913   1.678  1.00  0.00           H  
-ATOM    417  HA3 GLY A  37       4.909  -7.794   3.406  1.00  0.00           H  
-ATOM    418  N   HIS A  38       3.333  -5.214   2.379  1.00  0.00           N  
-ATOM    419  CA  HIS A  38       2.090  -4.441   2.523  1.00  0.00           C  
-ATOM    420  C   HIS A  38       1.344  -4.353   1.200  1.00  0.00           C  
-ATOM    421  O   HIS A  38       1.939  -4.498   0.138  1.00  0.00           O  
-ATOM    422  CB  HIS A  38       2.377  -3.032   3.036  1.00  0.00           C  
-ATOM    423  CG  HIS A  38       3.210  -3.012   4.265  1.00  0.00           C  
-ATOM    424  ND1 HIS A  38       2.895  -3.677   5.430  1.00  0.00           N  
-ATOM    425  CD2 HIS A  38       4.386  -2.399   4.489  1.00  0.00           C  
-ATOM    426  CE1 HIS A  38       3.879  -3.449   6.303  1.00  0.00           C  
-ATOM    427  NE2 HIS A  38       4.806  -2.677   5.775  1.00  0.00           N  
-ATOM    428  H   HIS A  38       4.144  -4.767   2.063  1.00  0.00           H  
-ATOM    429  HA  HIS A  38       1.461  -4.952   3.240  1.00  0.00           H  
-ATOM    430  HB2 HIS A  38       2.899  -2.477   2.272  1.00  0.00           H  
-ATOM    431  HB3 HIS A  38       1.444  -2.534   3.261  1.00  0.00           H  
-ATOM    432  HD1 HIS A  38       2.089  -4.218   5.595  1.00  0.00           H  
-ATOM    433  HD2 HIS A  38       4.926  -1.786   3.782  1.00  0.00           H  
-ATOM    434  HE1 HIS A  38       3.910  -3.845   7.308  1.00  0.00           H  
-ATOM    435  N   LEU A  39       0.041  -4.119   1.278  1.00  0.00           N  
-ATOM    436  CA  LEU A  39      -0.800  -4.006   0.100  1.00  0.00           C  
-ATOM    437  C   LEU A  39      -1.339  -2.586  -0.059  1.00  0.00           C  
-ATOM    438  O   LEU A  39      -1.638  -1.906   0.927  1.00  0.00           O  
-ATOM    439  CB  LEU A  39      -1.953  -5.001   0.214  1.00  0.00           C  
-ATOM    440  CG  LEU A  39      -1.541  -6.476   0.126  1.00  0.00           C  
-ATOM    441  CD1 LEU A  39      -2.727  -7.390   0.418  1.00  0.00           C  
-ATOM    442  CD2 LEU A  39      -0.950  -6.783  -1.246  1.00  0.00           C  
-ATOM    443  H   LEU A  39      -0.376  -4.024   2.155  1.00  0.00           H  
-ATOM    444  HA  LEU A  39      -0.205  -4.255  -0.768  1.00  0.00           H  
-ATOM    445  HB2 LEU A  39      -2.441  -4.840   1.164  1.00  0.00           H  
-ATOM    446  HB3 LEU A  39      -2.658  -4.795  -0.571  1.00  0.00           H  
-ATOM    447  HG  LEU A  39      -0.777  -6.672   0.866  1.00  0.00           H  
-ATOM    448 HD11 LEU A  39      -3.106  -7.184   1.408  1.00  0.00           H  
-ATOM    449 HD12 LEU A  39      -2.410  -8.421   0.362  1.00  0.00           H  
-ATOM    450 HD13 LEU A  39      -3.509  -7.215  -0.309  1.00  0.00           H  
-ATOM    451 HD21 LEU A  39      -1.687  -6.584  -2.012  1.00  0.00           H  
-ATOM    452 HD22 LEU A  39      -0.659  -7.822  -1.290  1.00  0.00           H  
-ATOM    453 HD23 LEU A  39      -0.082  -6.161  -1.412  1.00  0.00           H  
-ATOM    454  N   LEU A  40      -1.430  -2.141  -1.307  1.00  0.00           N  
-ATOM    455  CA  LEU A  40      -2.022  -0.850  -1.652  1.00  0.00           C  
-ATOM    456  C   LEU A  40      -2.464  -0.861  -3.114  1.00  0.00           C  
-ATOM    457  O   LEU A  40      -1.797  -1.458  -3.959  1.00  0.00           O  
-ATOM    458  CB  LEU A  40      -1.037   0.317  -1.392  1.00  0.00           C  
-ATOM    459  CG  LEU A  40       0.465  -0.035  -1.359  1.00  0.00           C  
-ATOM    460  CD1 LEU A  40       0.933  -0.616  -2.690  1.00  0.00           C  
-ATOM    461  CD2 LEU A  40       1.291   1.197  -0.990  1.00  0.00           C  
-ATOM    462  H   LEU A  40      -1.077  -2.704  -2.033  1.00  0.00           H  
-ATOM    463  HA  LEU A  40      -2.898  -0.714  -1.026  1.00  0.00           H  
-ATOM    464  HB2 LEU A  40      -1.183   1.061  -2.167  1.00  0.00           H  
-ATOM    465  HB3 LEU A  40      -1.295   0.767  -0.442  1.00  0.00           H  
-ATOM    466  HG  LEU A  40       0.633  -0.784  -0.598  1.00  0.00           H  
-ATOM    467 HD11 LEU A  40       0.389  -1.527  -2.897  1.00  0.00           H  
-ATOM    468 HD12 LEU A  40       1.990  -0.833  -2.639  1.00  0.00           H  
-ATOM    469 HD13 LEU A  40       0.751   0.098  -3.481  1.00  0.00           H  
-ATOM    470 HD21 LEU A  40       2.339   0.935  -0.966  1.00  0.00           H  
-ATOM    471 HD22 LEU A  40       0.988   1.556  -0.017  1.00  0.00           H  
-ATOM    472 HD23 LEU A  40       1.132   1.974  -1.725  1.00  0.00           H  
-ATOM    473  N   HIS A  41      -3.600  -0.228  -3.407  1.00  0.00           N  
-ATOM    474  CA  HIS A  41      -4.063  -0.100  -4.792  1.00  0.00           C  
-ATOM    475  C   HIS A  41      -2.988   0.562  -5.661  1.00  0.00           C  
-ATOM    476  O   HIS A  41      -2.160   1.330  -5.160  1.00  0.00           O  
-ATOM    477  CB  HIS A  41      -5.396   0.673  -4.890  1.00  0.00           C  
-ATOM    478  CG  HIS A  41      -5.743   1.480  -3.685  1.00  0.00           C  
-ATOM    479  ND1 HIS A  41      -6.535   1.029  -2.662  1.00  0.00           N  
-ATOM    480  CD2 HIS A  41      -5.361   2.722  -3.340  1.00  0.00           C  
-ATOM    481  CE1 HIS A  41      -6.600   1.993  -1.742  1.00  0.00           C  
-ATOM    482  NE2 HIS A  41      -5.892   3.052  -2.098  1.00  0.00           N  
-ATOM    483  H   HIS A  41      -4.146   0.134  -2.683  1.00  0.00           H  
-ATOM    484  HA  HIS A  41      -4.223  -1.104  -5.159  1.00  0.00           H  
-ATOM    485  HB2 HIS A  41      -5.338   1.359  -5.720  1.00  0.00           H  
-ATOM    486  HB3 HIS A  41      -6.201  -0.027  -5.066  1.00  0.00           H  
-ATOM    487  HD1 HIS A  41      -6.991   0.157  -2.622  1.00  0.00           H  
-ATOM    488  HD2 HIS A  41      -4.738   3.375  -3.932  1.00  0.00           H  
-ATOM    489  HE1 HIS A  41      -7.155   1.914  -0.821  1.00  0.00           H  
-ATOM    490  N   ARG A  42      -3.040   0.272  -6.961  1.00  0.00           N  
-ATOM    491  CA  ARG A  42      -1.985   0.641  -7.914  1.00  0.00           C  
-ATOM    492  C   ARG A  42      -1.554   2.104  -7.775  1.00  0.00           C  
-ATOM    493  O   ARG A  42      -0.372   2.390  -7.579  1.00  0.00           O  
-ATOM    494  CB  ARG A  42      -2.460   0.365  -9.347  1.00  0.00           C  
-ATOM    495  CG  ARG A  42      -2.922  -1.073  -9.571  1.00  0.00           C  
-ATOM    496  CD  ARG A  42      -1.803  -2.078  -9.328  1.00  0.00           C  
-ATOM    497  NE  ARG A  42      -2.272  -3.460  -9.451  1.00  0.00           N  
-ATOM    498  CZ  ARG A  42      -1.564  -4.449  -9.997  1.00  0.00           C  
-ATOM    499  NH1 ARG A  42      -0.369  -4.211 -10.521  1.00  0.00           N  
-ATOM    500  NH2 ARG A  42      -2.054  -5.679 -10.031  1.00  0.00           N  
-ATOM    501  H   ARG A  42      -3.828  -0.209  -7.299  1.00  0.00           H  
-ATOM    502  HA  ARG A  42      -1.130   0.012  -7.709  1.00  0.00           H  
-ATOM    503  HB2 ARG A  42      -3.286   1.026  -9.575  1.00  0.00           H  
-ATOM    504  HB3 ARG A  42      -1.648   0.571 -10.031  1.00  0.00           H  
-ATOM    505  HG2 ARG A  42      -3.736  -1.289  -8.893  1.00  0.00           H  
-ATOM    506  HG3 ARG A  42      -3.269  -1.174 -10.591  1.00  0.00           H  
-ATOM    507  HD2 ARG A  42      -1.017  -1.906 -10.050  1.00  0.00           H  
-ATOM    508  HD3 ARG A  42      -1.411  -1.930  -8.331  1.00  0.00           H  
-ATOM    509  HE  ARG A  42      -3.166  -3.662  -9.090  1.00  0.00           H  
-ATOM    510 HH11 ARG A  42       0.012  -3.284 -10.511  1.00  0.00           H  
-ATOM    511 HH12 ARG A  42       0.156  -4.962 -10.932  1.00  0.00           H  
-ATOM    512 HH21 ARG A  42      -2.960  -5.875  -9.646  1.00  0.00           H  
-ATOM    513 HH22 ARG A  42      -1.517  -6.423 -10.438  1.00  0.00           H  
-ATOM    514  N   THR A  43      -2.512   3.021  -7.863  1.00  0.00           N  
-ATOM    515  CA  THR A  43      -2.221   4.448  -7.758  1.00  0.00           C  
-ATOM    516  C   THR A  43      -1.501   4.769  -6.446  1.00  0.00           C  
-ATOM    517  O   THR A  43      -0.541   5.540  -6.420  1.00  0.00           O  
-ATOM    518  CB  THR A  43      -3.518   5.281  -7.861  1.00  0.00           C  
-ATOM    519  OG1 THR A  43      -4.152   5.021  -9.121  1.00  0.00           O  
-ATOM    520  CG2 THR A  43      -3.238   6.775  -7.724  1.00  0.00           C  
-ATOM    521  H   THR A  43      -3.439   2.733  -8.008  1.00  0.00           H  
-ATOM    522  HA  THR A  43      -1.577   4.718  -8.586  1.00  0.00           H  
-ATOM    523  HB  THR A  43      -4.186   4.979  -7.065  1.00  0.00           H  
-ATOM    524  HG1 THR A  43      -3.477   4.970  -9.811  1.00  0.00           H  
-ATOM    525 HG21 THR A  43      -4.163   7.325  -7.814  1.00  0.00           H  
-ATOM    526 HG22 THR A  43      -2.557   7.089  -8.501  1.00  0.00           H  
-ATOM    527 HG23 THR A  43      -2.795   6.974  -6.757  1.00  0.00           H  
-ATOM    528  N   CYS A  44      -1.948   4.137  -5.369  1.00  0.00           N  
-ATOM    529  CA  CYS A  44      -1.390   4.385  -4.043  1.00  0.00           C  
-ATOM    530  C   CYS A  44       0.020   3.821  -3.931  1.00  0.00           C  
-ATOM    531  O   CYS A  44       0.816   4.288  -3.119  1.00  0.00           O  
-ATOM    532  CB  CYS A  44      -2.291   3.784  -2.968  1.00  0.00           C  
-ATOM    533  SG  CYS A  44      -2.931   4.983  -1.767  1.00  0.00           S  
-ATOM    534  H   CYS A  44      -2.668   3.482  -5.470  1.00  0.00           H  
-ATOM    535  HA  CYS A  44      -1.345   5.456  -3.901  1.00  0.00           H  
-ATOM    536  HB2 CYS A  44      -3.142   3.325  -3.444  1.00  0.00           H  
-ATOM    537  HB3 CYS A  44      -1.755   3.028  -2.416  1.00  0.00           H  
-ATOM    538  N   TYR A  45       0.319   2.806  -4.740  1.00  0.00           N  
-ATOM    539  CA  TYR A  45       1.673   2.272  -4.820  1.00  0.00           C  
-ATOM    540  C   TYR A  45       2.607   3.362  -5.325  1.00  0.00           C  
-ATOM    541  O   TYR A  45       3.706   3.545  -4.802  1.00  0.00           O  
-ATOM    542  CB  TYR A  45       1.719   1.042  -5.741  1.00  0.00           C  
-ATOM    543  CG  TYR A  45       3.126   0.583  -6.097  1.00  0.00           C  
-ATOM    544  CD1 TYR A  45       3.973   0.049  -5.128  1.00  0.00           C  
-ATOM    545  CD2 TYR A  45       3.608   0.686  -7.400  1.00  0.00           C  
-ATOM    546  CE1 TYR A  45       5.253  -0.365  -5.448  1.00  0.00           C  
-ATOM    547  CE2 TYR A  45       4.886   0.271  -7.725  1.00  0.00           C  
-ATOM    548  CZ  TYR A  45       5.704  -0.254  -6.746  1.00  0.00           C  
-ATOM    549  OH  TYR A  45       6.976  -0.672  -7.067  1.00  0.00           O  
-ATOM    550  H   TYR A  45      -0.386   2.414  -5.301  1.00  0.00           H  
-ATOM    551  HA  TYR A  45       1.977   1.982  -3.823  1.00  0.00           H  
-ATOM    552  HB2 TYR A  45       1.219   0.218  -5.250  1.00  0.00           H  
-ATOM    553  HB3 TYR A  45       1.196   1.270  -6.657  1.00  0.00           H  
-ATOM    554  HD1 TYR A  45       3.619  -0.039  -4.111  1.00  0.00           H  
-ATOM    555  HD2 TYR A  45       2.966   1.099  -8.165  1.00  0.00           H  
-ATOM    556  HE1 TYR A  45       5.894  -0.777  -4.681  1.00  0.00           H  
-ATOM    557  HE2 TYR A  45       5.240   0.361  -8.741  1.00  0.00           H  
-ATOM    558  HH  TYR A  45       7.394  -0.023  -7.644  1.00  0.00           H  
-ATOM    559  N   GLU A  46       2.142   4.098  -6.331  1.00  0.00           N  
-ATOM    560  CA  GLU A  46       2.890   5.227  -6.863  1.00  0.00           C  
-ATOM    561  C   GLU A  46       2.995   6.319  -5.799  1.00  0.00           C  
-ATOM    562  O   GLU A  46       4.083   6.809  -5.509  1.00  0.00           O  
-ATOM    563  CB  GLU A  46       2.211   5.775  -8.130  1.00  0.00           C  
-ATOM    564  CG  GLU A  46       1.995   4.723  -9.218  1.00  0.00           C  
-ATOM    565  CD  GLU A  46       1.403   5.302 -10.496  1.00  0.00           C  
-ATOM    566  OE1 GLU A  46       0.160   5.389 -10.608  1.00  0.00           O  
-ATOM    567  OE2 GLU A  46       2.179   5.675 -11.402  1.00  0.00           O  
-ATOM    568  H   GLU A  46       1.271   3.875  -6.724  1.00  0.00           H  
-ATOM    569  HA  GLU A  46       3.885   4.883  -7.113  1.00  0.00           H  
-ATOM    570  HB2 GLU A  46       1.248   6.184  -7.859  1.00  0.00           H  
-ATOM    571  HB3 GLU A  46       2.824   6.566  -8.541  1.00  0.00           H  
-ATOM    572  HG2 GLU A  46       2.946   4.266  -9.453  1.00  0.00           H  
-ATOM    573  HG3 GLU A  46       1.322   3.966  -8.838  1.00  0.00           H  
-ATOM    574  N   GLU A  47       1.855   6.661  -5.196  1.00  0.00           N  
-ATOM    575  CA  GLU A  47       1.789   7.714  -4.176  1.00  0.00           C  
-ATOM    576  C   GLU A  47       2.776   7.449  -3.038  1.00  0.00           C  
-ATOM    577  O   GLU A  47       3.520   8.339  -2.624  1.00  0.00           O  
-ATOM    578  CB  GLU A  47       0.373   7.812  -3.594  1.00  0.00           C  
-ATOM    579  CG  GLU A  47      -0.705   8.169  -4.609  1.00  0.00           C  
-ATOM    580  CD  GLU A  47      -2.073   8.322  -3.960  1.00  0.00           C  
-ATOM    581  OE1 GLU A  47      -2.338   9.401  -3.386  1.00  0.00           O  
-ATOM    582  OE2 GLU A  47      -2.877   7.363  -4.000  1.00  0.00           O  
-ATOM    583  H   GLU A  47       1.030   6.194  -5.448  1.00  0.00           H  
-ATOM    584  HA  GLU A  47       2.042   8.652  -4.650  1.00  0.00           H  
-ATOM    585  HB2 GLU A  47       0.114   6.861  -3.150  1.00  0.00           H  
-ATOM    586  HB3 GLU A  47       0.370   8.568  -2.820  1.00  0.00           H  
-ATOM    587  HG2 GLU A  47      -0.440   9.102  -5.088  1.00  0.00           H  
-ATOM    588  HG3 GLU A  47      -0.758   7.387  -5.353  1.00  0.00           H  
-ATOM    589  N   MET A  48       2.762   6.220  -2.536  1.00  0.00           N  
-ATOM    590  CA  MET A  48       3.609   5.827  -1.414  1.00  0.00           C  
-ATOM    591  C   MET A  48       5.075   5.814  -1.831  1.00  0.00           C  
-ATOM    592  O   MET A  48       5.924   6.439  -1.188  1.00  0.00           O  
-ATOM    593  CB  MET A  48       3.182   4.442  -0.894  1.00  0.00           C  
-ATOM    594  CG  MET A  48       3.959   3.957   0.328  1.00  0.00           C  
-ATOM    595  SD  MET A  48       5.691   3.591  -0.030  1.00  0.00           S  
-ATOM    596  CE  MET A  48       6.303   3.196   1.607  1.00  0.00           C  
-ATOM    597  H   MET A  48       2.167   5.554  -2.935  1.00  0.00           H  
-ATOM    598  HA  MET A  48       3.476   6.555  -0.625  1.00  0.00           H  
-ATOM    599  HB2 MET A  48       2.134   4.479  -0.632  1.00  0.00           H  
-ATOM    600  HB3 MET A  48       3.315   3.718  -1.686  1.00  0.00           H  
-ATOM    601  HG2 MET A  48       3.920   4.723   1.089  1.00  0.00           H  
-ATOM    602  HG3 MET A  48       3.487   3.060   0.703  1.00  0.00           H  
-ATOM    603  HE1 MET A  48       5.767   2.343   1.997  1.00  0.00           H  
-ATOM    604  HE2 MET A  48       6.156   4.043   2.261  1.00  0.00           H  
-ATOM    605  HE3 MET A  48       7.356   2.964   1.550  1.00  0.00           H  
-ATOM    606  N   LEU A  49       5.357   5.115  -2.927  1.00  0.00           N  
-ATOM    607  CA  LEU A  49       6.723   4.951  -3.413  1.00  0.00           C  
-ATOM    608  C   LEU A  49       7.341   6.306  -3.777  1.00  0.00           C  
-ATOM    609  O   LEU A  49       8.560   6.481  -3.700  1.00  0.00           O  
-ATOM    610  CB  LEU A  49       6.744   3.987  -4.610  1.00  0.00           C  
-ATOM    611  CG  LEU A  49       8.138   3.667  -5.179  1.00  0.00           C  
-ATOM    612  CD1 LEU A  49       9.017   3.010  -4.118  1.00  0.00           C  
-ATOM    613  CD2 LEU A  49       8.027   2.778  -6.419  1.00  0.00           C  
-ATOM    614  H   LEU A  49       4.624   4.696  -3.424  1.00  0.00           H  
-ATOM    615  HA  LEU A  49       7.303   4.517  -2.609  1.00  0.00           H  
-ATOM    616  HB2 LEU A  49       6.282   3.054  -4.296  1.00  0.00           H  
-ATOM    617  HB3 LEU A  49       6.145   4.416  -5.400  1.00  0.00           H  
-ATOM    618  HG  LEU A  49       8.615   4.591  -5.475  1.00  0.00           H  
-ATOM    619 HD11 LEU A  49       9.123   3.677  -3.275  1.00  0.00           H  
-ATOM    620 HD12 LEU A  49       9.992   2.803  -4.535  1.00  0.00           H  
-ATOM    621 HD13 LEU A  49       8.562   2.086  -3.792  1.00  0.00           H  
-ATOM    622 HD21 LEU A  49       7.548   1.846  -6.156  1.00  0.00           H  
-ATOM    623 HD22 LEU A  49       9.014   2.577  -6.809  1.00  0.00           H  
-ATOM    624 HD23 LEU A  49       7.440   3.283  -7.173  1.00  0.00           H  
-ATOM    625  N   LYS A  50       6.492   7.258  -4.172  1.00  0.00           N  
-ATOM    626  CA  LYS A  50       6.926   8.637  -4.412  1.00  0.00           C  
-ATOM    627  C   LYS A  50       7.656   9.185  -3.191  1.00  0.00           C  
-ATOM    628  O   LYS A  50       8.760   9.727  -3.297  1.00  0.00           O  
-ATOM    629  CB  LYS A  50       5.723   9.544  -4.721  1.00  0.00           C  
-ATOM    630  CG  LYS A  50       5.210   9.464  -6.153  1.00  0.00           C  
-ATOM    631  CD  LYS A  50       3.877  10.200  -6.333  1.00  0.00           C  
-ATOM    632  CE  LYS A  50       3.944  11.671  -5.911  1.00  0.00           C  
-ATOM    633  NZ  LYS A  50       3.789  11.858  -4.439  1.00  0.00           N  
-ATOM    634  H   LYS A  50       5.548   7.026  -4.309  1.00  0.00           H  
-ATOM    635  HA  LYS A  50       7.600   8.637  -5.257  1.00  0.00           H  
-ATOM    636  HB2 LYS A  50       4.911   9.276  -4.060  1.00  0.00           H  
-ATOM    637  HB3 LYS A  50       6.004  10.570  -4.523  1.00  0.00           H  
-ATOM    638  HG2 LYS A  50       5.943   9.906  -6.813  1.00  0.00           H  
-ATOM    639  HG3 LYS A  50       5.073   8.425  -6.416  1.00  0.00           H  
-ATOM    640  HD2 LYS A  50       3.596  10.154  -7.376  1.00  0.00           H  
-ATOM    641  HD3 LYS A  50       3.122   9.700  -5.741  1.00  0.00           H  
-ATOM    642  HE2 LYS A  50       4.898  12.077  -6.213  1.00  0.00           H  
-ATOM    643  HE3 LYS A  50       3.154  12.212  -6.415  1.00  0.00           H  
-ATOM    644  HZ1 LYS A  50       3.857  12.867  -4.199  1.00  0.00           H  
-ATOM    645  HZ2 LYS A  50       4.533  11.346  -3.923  1.00  0.00           H  
-ATOM    646  HZ3 LYS A  50       2.861  11.505  -4.128  1.00  0.00           H  
-ATOM    647  N   GLU A  51       7.030   9.032  -2.033  1.00  0.00           N  
-ATOM    648  CA  GLU A  51       7.563   9.576  -0.794  1.00  0.00           C  
-ATOM    649  C   GLU A  51       8.723   8.712  -0.299  1.00  0.00           C  
-ATOM    650  O   GLU A  51       9.774   9.227   0.098  1.00  0.00           O  
-ATOM    651  CB  GLU A  51       6.462   9.643   0.275  1.00  0.00           C  
-ATOM    652  CG  GLU A  51       5.118  10.165  -0.233  1.00  0.00           C  
-ATOM    653  CD  GLU A  51       5.219  11.519  -0.920  1.00  0.00           C  
-ATOM    654  OE1 GLU A  51       5.330  12.543  -0.214  1.00  0.00           O  
-ATOM    655  OE2 GLU A  51       5.173  11.565  -2.169  1.00  0.00           O  
-ATOM    656  H   GLU A  51       6.186   8.533  -2.011  1.00  0.00           H  
-ATOM    657  HA  GLU A  51       7.926  10.575  -0.993  1.00  0.00           H  
-ATOM    658  HB2 GLU A  51       6.306   8.652   0.672  1.00  0.00           H  
-ATOM    659  HB3 GLU A  51       6.794  10.290   1.076  1.00  0.00           H  
-ATOM    660  HG2 GLU A  51       4.711   9.450  -0.935  1.00  0.00           H  
-ATOM    661  HG3 GLU A  51       4.443  10.255   0.609  1.00  0.00           H  
-ATOM    662  N   GLY A  52       8.526   7.395  -0.348  1.00  0.00           N  
-ATOM    663  CA  GLY A  52       9.519   6.461   0.161  1.00  0.00           C  
-ATOM    664  C   GLY A  52       9.616   6.517   1.672  1.00  0.00           C  
-ATOM    665  O   GLY A  52      10.634   6.138   2.257  1.00  0.00           O  
-ATOM    666  H   GLY A  52       7.695   7.051  -0.741  1.00  0.00           H  
-ATOM    667  HA2 GLY A  52       9.242   5.459  -0.138  1.00  0.00           H  
-ATOM    668  HA3 GLY A  52      10.483   6.702  -0.264  1.00  0.00           H  
-ATOM    669  N   TYR A  53       8.543   6.989   2.296  1.00  0.00           N  
-ATOM    670  CA  TYR A  53       8.496   7.193   3.741  1.00  0.00           C  
-ATOM    671  C   TYR A  53       8.340   5.865   4.482  1.00  0.00           C  
-ATOM    672  O   TYR A  53       8.105   4.824   3.864  1.00  0.00           O  
-ATOM    673  CB  TYR A  53       7.347   8.154   4.102  1.00  0.00           C  
-ATOM    674  CG  TYR A  53       5.945   7.578   3.936  1.00  0.00           C  
-ATOM    675  CD1 TYR A  53       5.440   7.232   2.685  1.00  0.00           C  
-ATOM    676  CD2 TYR A  53       5.119   7.396   5.039  1.00  0.00           C  
-ATOM    677  CE1 TYR A  53       4.166   6.720   2.543  1.00  0.00           C  
-ATOM    678  CE2 TYR A  53       3.844   6.882   4.903  1.00  0.00           C  
-ATOM    679  CZ  TYR A  53       3.373   6.547   3.654  1.00  0.00           C  
-ATOM    680  OH  TYR A  53       2.104   6.032   3.515  1.00  0.00           O  
-ATOM    681  H   TYR A  53       7.756   7.205   1.765  1.00  0.00           H  
-ATOM    682  HA  TYR A  53       9.433   7.644   4.039  1.00  0.00           H  
-ATOM    683  HB2 TYR A  53       7.458   8.456   5.133  1.00  0.00           H  
-ATOM    684  HB3 TYR A  53       7.419   9.032   3.474  1.00  0.00           H  
-ATOM    685  HD1 TYR A  53       6.058   7.363   1.814  1.00  0.00           H  
-ATOM    686  HD2 TYR A  53       5.487   7.661   6.020  1.00  0.00           H  
-ATOM    687  HE1 TYR A  53       3.796   6.458   1.562  1.00  0.00           H  
-ATOM    688  HE2 TYR A  53       3.222   6.746   5.775  1.00  0.00           H  
-ATOM    689  HH  TYR A  53       1.487   6.563   4.030  1.00  0.00           H  
-ATOM    690  N   ARG A  54       8.476   5.912   5.807  1.00  0.00           N  
-ATOM    691  CA  ARG A  54       8.336   4.721   6.645  1.00  0.00           C  
-ATOM    692  C   ARG A  54       6.932   4.136   6.489  1.00  0.00           C  
-ATOM    693  O   ARG A  54       5.940   4.836   6.689  1.00  0.00           O  
-ATOM    694  CB  ARG A  54       8.601   5.051   8.128  1.00  0.00           C  
-ATOM    695  CG  ARG A  54      10.074   5.257   8.499  1.00  0.00           C  
-ATOM    696  CD  ARG A  54      10.710   6.433   7.766  1.00  0.00           C  
-ATOM    697  NE  ARG A  54      12.017   6.783   8.329  1.00  0.00           N  
-ATOM    698  CZ  ARG A  54      13.143   6.897   7.623  1.00  0.00           C  
-ATOM    699  NH1 ARG A  54      13.154   6.640   6.323  1.00  0.00           N  
-ATOM    700  NH2 ARG A  54      14.265   7.258   8.226  1.00  0.00           N  
-ATOM    701  H   ARG A  54       8.658   6.775   6.234  1.00  0.00           H  
-ATOM    702  HA  ARG A  54       9.060   3.991   6.310  1.00  0.00           H  
-ATOM    703  HB2 ARG A  54       8.064   5.955   8.381  1.00  0.00           H  
-ATOM    704  HB3 ARG A  54       8.215   4.242   8.735  1.00  0.00           H  
-ATOM    705  HG2 ARG A  54      10.141   5.438   9.562  1.00  0.00           H  
-ATOM    706  HG3 ARG A  54      10.621   4.356   8.256  1.00  0.00           H  
-ATOM    707  HD2 ARG A  54      10.832   6.170   6.724  1.00  0.00           H  
-ATOM    708  HD3 ARG A  54      10.055   7.289   7.846  1.00  0.00           H  
-ATOM    709  HE  ARG A  54      12.050   6.964   9.295  1.00  0.00           H  
-ATOM    710 HH11 ARG A  54      12.313   6.356   5.854  1.00  0.00           H  
-ATOM    711 HH12 ARG A  54      14.006   6.734   5.799  1.00  0.00           H  
-ATOM    712 HH21 ARG A  54      14.269   7.452   9.212  1.00  0.00           H  
-ATOM    713 HH22 ARG A  54      15.117   7.339   7.699  1.00  0.00           H  
-ATOM    714  N   CYS A  55       6.856   2.862   6.127  1.00  0.00           N  
-ATOM    715  CA  CYS A  55       5.576   2.204   5.880  1.00  0.00           C  
-ATOM    716  C   CYS A  55       4.727   2.103   7.153  1.00  0.00           C  
-ATOM    717  O   CYS A  55       5.035   1.315   8.050  1.00  0.00           O  
-ATOM    718  CB  CYS A  55       5.796   0.812   5.285  1.00  0.00           C  
-ATOM    719  SG  CYS A  55       7.198  -0.114   5.976  1.00  0.00           S  
-ATOM    720  H   CYS A  55       7.685   2.346   6.027  1.00  0.00           H  
-ATOM    721  HA  CYS A  55       5.039   2.802   5.156  1.00  0.00           H  
-ATOM    722  HB2 CYS A  55       4.913   0.213   5.472  1.00  0.00           H  
-ATOM    723  HB3 CYS A  55       5.950   0.899   4.219  1.00  0.00           H  
-ATOM    724  N   PRO A  56       3.615   2.869   7.227  1.00  0.00           N  
-ATOM    725  CA  PRO A  56       2.758   2.908   8.419  1.00  0.00           C  
-ATOM    726  C   PRO A  56       2.037   1.581   8.652  1.00  0.00           C  
-ATOM    727  O   PRO A  56       1.718   1.230   9.784  1.00  0.00           O  
-ATOM    728  CB  PRO A  56       1.753   4.030   8.106  1.00  0.00           C  
-ATOM    729  CG  PRO A  56       1.713   4.094   6.617  1.00  0.00           C  
-ATOM    730  CD  PRO A  56       3.106   3.753   6.156  1.00  0.00           C  
-ATOM    731  HA  PRO A  56       3.326   3.165   9.303  1.00  0.00           H  
-ATOM    732  HB2 PRO A  56       0.785   3.785   8.522  1.00  0.00           H  
-ATOM    733  HB3 PRO A  56       2.104   4.961   8.531  1.00  0.00           H  
-ATOM    734  HG2 PRO A  56       1.003   3.371   6.236  1.00  0.00           H  
-ATOM    735  HG3 PRO A  56       1.443   5.090   6.296  1.00  0.00           H  
-ATOM    736  HD2 PRO A  56       3.075   3.234   5.208  1.00  0.00           H  
-ATOM    737  HD3 PRO A  56       3.709   4.647   6.078  1.00  0.00           H  
-ATOM    738  N   LEU A  57       1.819   0.822   7.574  1.00  0.00           N  
-ATOM    739  CA  LEU A  57       1.100  -0.449   7.664  1.00  0.00           C  
-ATOM    740  C   LEU A  57       1.847  -1.431   8.571  1.00  0.00           C  
-ATOM    741  O   LEU A  57       1.276  -2.408   9.047  1.00  0.00           O  
-ATOM    742  CB  LEU A  57       0.886  -1.074   6.272  1.00  0.00           C  
-ATOM    743  CG  LEU A  57       0.092  -0.217   5.260  1.00  0.00           C  
-ATOM    744  CD1 LEU A  57       1.013   0.722   4.474  1.00  0.00           C  
-ATOM    745  CD2 LEU A  57      -0.720  -1.100   4.313  1.00  0.00           C  
-ATOM    746  H   LEU A  57       2.151   1.122   6.707  1.00  0.00           H  
-ATOM    747  HA  LEU A  57       0.133  -0.245   8.105  1.00  0.00           H  
-ATOM    748  HB2 LEU A  57       1.857  -1.292   5.846  1.00  0.00           H  
-ATOM    749  HB3 LEU A  57       0.360  -2.010   6.405  1.00  0.00           H  
-ATOM    750  HG  LEU A  57      -0.606   0.402   5.806  1.00  0.00           H  
-ATOM    751 HD11 LEU A  57       0.439   1.235   3.716  1.00  0.00           H  
-ATOM    752 HD12 LEU A  57       1.800   0.150   4.003  1.00  0.00           H  
-ATOM    753 HD13 LEU A  57       1.448   1.449   5.143  1.00  0.00           H  
-ATOM    754 HD21 LEU A  57      -1.284  -0.477   3.633  1.00  0.00           H  
-ATOM    755 HD22 LEU A  57      -1.401  -1.713   4.885  1.00  0.00           H  
-ATOM    756 HD23 LEU A  57      -0.055  -1.736   3.749  1.00  0.00           H  
-ATOM    757  N   CYS A  58       3.127  -1.148   8.812  1.00  0.00           N  
-ATOM    758  CA  CYS A  58       3.970  -1.979   9.683  1.00  0.00           C  
-ATOM    759  C   CYS A  58       3.460  -2.004  11.134  1.00  0.00           C  
-ATOM    760  O   CYS A  58       3.922  -2.814  11.939  1.00  0.00           O  
-ATOM    761  CB  CYS A  58       5.429  -1.489   9.636  1.00  0.00           C  
-ATOM    762  SG  CYS A  58       6.577  -2.639   8.817  1.00  0.00           S  
-ATOM    763  H   CYS A  58       3.524  -0.358   8.386  1.00  0.00           H  
-ATOM    764  HA  CYS A  58       3.936  -2.988   9.297  1.00  0.00           H  
-ATOM    765  HB2 CYS A  58       5.465  -0.557   9.075  1.00  0.00           H  
-ATOM    766  HB3 CYS A  58       5.791  -1.317  10.640  1.00  0.00           H  
-ATOM    767  N   MET A  59       2.523  -1.111  11.473  1.00  0.00           N  
-ATOM    768  CA  MET A  59       1.974  -1.055  12.835  1.00  0.00           C  
-ATOM    769  C   MET A  59       0.748  -1.961  12.979  1.00  0.00           C  
-ATOM    770  O   MET A  59       0.332  -2.283  14.096  1.00  0.00           O  
-ATOM    771  CB  MET A  59       1.588   0.384  13.214  1.00  0.00           C  
-ATOM    772  CG  MET A  59       0.378   0.926  12.456  1.00  0.00           C  
-ATOM    773  SD  MET A  59      -0.134   2.556  13.028  1.00  0.00           S  
-ATOM    774  CE  MET A  59      -0.650   2.179  14.701  1.00  0.00           C  
-ATOM    775  H   MET A  59       2.202  -0.473  10.802  1.00  0.00           H  
-ATOM    776  HA  MET A  59       2.739  -1.400  13.516  1.00  0.00           H  
-ATOM    777  HB2 MET A  59       1.366   0.418  14.271  1.00  0.00           H  
-ATOM    778  HB3 MET A  59       2.429   1.033  13.014  1.00  0.00           H  
-ATOM    779  HG2 MET A  59       0.626   0.992  11.409  1.00  0.00           H  
-ATOM    780  HG3 MET A  59      -0.448   0.240  12.584  1.00  0.00           H  
-ATOM    781  HE1 MET A  59      -1.457   1.461  14.676  1.00  0.00           H  
-ATOM    782  HE2 MET A  59      -0.987   3.083  15.186  1.00  0.00           H  
-ATOM    783  HE3 MET A  59       0.183   1.767  15.251  1.00  0.00           H  
-ATOM    784  N   HIS A  60       0.171  -2.370  11.852  1.00  0.00           N  
-ATOM    785  CA  HIS A  60      -1.062  -3.155  11.857  1.00  0.00           C  
-ATOM    786  C   HIS A  60      -0.869  -4.445  11.063  1.00  0.00           C  
-ATOM    787  O   HIS A  60      -0.435  -4.413   9.910  1.00  0.00           O  
-ATOM    788  CB  HIS A  60      -2.218  -2.329  11.267  1.00  0.00           C  
-ATOM    789  CG  HIS A  60      -3.561  -3.003  11.339  1.00  0.00           C  
-ATOM    790  ND1 HIS A  60      -4.526  -2.664  12.264  1.00  0.00           N  
-ATOM    791  CD2 HIS A  60      -4.103  -3.989  10.584  1.00  0.00           C  
-ATOM    792  CE1 HIS A  60      -5.598  -3.410  12.074  1.00  0.00           C  
-ATOM    793  NE2 HIS A  60      -5.368  -4.221  11.061  1.00  0.00           N  
-ATOM    794  H   HIS A  60       0.595  -2.158  10.993  1.00  0.00           H  
-ATOM    795  HA  HIS A  60      -1.296  -3.407  12.883  1.00  0.00           H  
-ATOM    796  HB2 HIS A  60      -2.292  -1.394  11.805  1.00  0.00           H  
-ATOM    797  HB3 HIS A  60      -2.008  -2.119  10.228  1.00  0.00           H  
-ATOM    798  HD1 HIS A  60      -4.438  -1.976  12.959  1.00  0.00           H  
-ATOM    799  HD2 HIS A  60      -3.626  -4.499   9.758  1.00  0.00           H  
-ATOM    800  HE1 HIS A  60      -6.510  -3.363  12.651  1.00  0.00           H  
-ATOM    801  HE2 HIS A  60      -5.939  -4.982  10.806  1.00  0.00           H  
-ATOM    802  N   SER A  61      -1.198  -5.569  11.684  1.00  0.00           N  
-ATOM    803  CA  SER A  61      -1.053  -6.875  11.056  1.00  0.00           C  
-ATOM    804  C   SER A  61      -1.959  -7.895  11.756  1.00  0.00           C  
-ATOM    805  O   SER A  61      -1.527  -8.497  12.763  1.00  0.00           O  
-ATOM    806  CB  SER A  61       0.423  -7.313  11.090  1.00  0.00           C  
-ATOM    807  OG  SER A  61       0.977  -7.161  12.390  1.00  0.00           O  
-ATOM    808  OXT SER A  61      -3.116  -8.065  11.317  1.00  0.00           O  
-ATOM    809  H   SER A  61      -1.558  -5.523  12.597  1.00  0.00           H  
-ATOM    810  HA  SER A  61      -1.368  -6.782  10.025  1.00  0.00           H  
-ATOM    811  HB2 SER A  61       0.497  -8.352  10.802  1.00  0.00           H  
-ATOM    812  HB3 SER A  61       0.992  -6.709  10.397  1.00  0.00           H  
-ATOM    813  HG  SER A  61       0.365  -7.527  13.040  1.00  0.00           H  

Deleted: SwiftApps/modFTDock/input/2jy5-1.pdb
===================================================================
--- SwiftApps/modFTDock/input/2jy5-1.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/2jy5-1.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,784 +0,0 @@
-ATOM      1  N   GLY A 536     -19.286  18.366   2.103  1.00  0.00           N  
-ATOM      2  CA  GLY A 536     -20.653  18.510   2.674  1.00  0.00           C  
-ATOM      3  C   GLY A 536     -21.435  17.211   2.641  1.00  0.00           C  
-ATOM      4  O   GLY A 536     -21.598  16.552   3.668  1.00  0.00           O  
-ATOM      5  H1  GLY A 536     -18.747  17.656   2.642  1.00  0.00           H  
-ATOM      6  H2  GLY A 536     -18.783  19.275   2.149  1.00  0.00           H  
-ATOM      7  H3  GLY A 536     -19.342  18.062   1.110  1.00  0.00           H  
-ATOM      8  HA2 GLY A 536     -20.573  18.844   3.698  1.00  0.00           H  
-ATOM      9  HA3 GLY A 536     -21.192  19.255   2.106  1.00  0.00           H  
-ATOM     10  N   SER A 537     -21.919  16.842   1.459  1.00  0.00           N  
-ATOM     11  CA  SER A 537     -22.687  15.614   1.297  1.00  0.00           C  
-ATOM     12  C   SER A 537     -22.666  15.142  -0.157  1.00  0.00           C  
-ATOM     13  O   SER A 537     -23.669  15.241  -0.864  1.00  0.00           O  
-ATOM     14  CB  SER A 537     -24.130  15.827   1.757  1.00  0.00           C  
-ATOM     15  OG  SER A 537     -24.749  16.873   1.028  1.00  0.00           O  
-ATOM     16  H   SER A 537     -21.755  17.411   0.677  1.00  0.00           H  
-ATOM     17  HA  SER A 537     -22.231  14.856   1.916  1.00  0.00           H  
-ATOM     18  HB2 SER A 537     -24.693  14.917   1.604  1.00  0.00           H  
-ATOM     19  HB3 SER A 537     -24.138  16.083   2.807  1.00  0.00           H  
-ATOM     20  HG  SER A 537     -25.189  17.471   1.637  1.00  0.00           H  
-ATOM     21  N   PRO A 538     -21.515  14.622  -0.622  1.00  0.00           N  
-ATOM     22  CA  PRO A 538     -21.370  14.130  -1.994  1.00  0.00           C  
-ATOM     23  C   PRO A 538     -21.954  12.732  -2.163  1.00  0.00           C  
-ATOM     24  O   PRO A 538     -22.501  12.161  -1.220  1.00  0.00           O  
-ATOM     25  CB  PRO A 538     -19.856  14.100  -2.186  1.00  0.00           C  
-ATOM     26  CG  PRO A 538     -19.316  13.822  -0.825  1.00  0.00           C  
-ATOM     27  CD  PRO A 538     -20.263  14.478   0.148  1.00  0.00           C  
-ATOM     28  HA  PRO A 538     -21.818  14.802  -2.711  1.00  0.00           H  
-ATOM     29  HB2 PRO A 538     -19.593  13.320  -2.886  1.00  0.00           H  
-ATOM     30  HB3 PRO A 538     -19.519  15.057  -2.556  1.00  0.00           H  
-ATOM     31  HG2 PRO A 538     -19.283  12.756  -0.655  1.00  0.00           H  
-ATOM     32  HG3 PRO A 538     -18.328  14.247  -0.729  1.00  0.00           H  
-ATOM     33  HD2 PRO A 538     -20.413  13.844   1.009  1.00  0.00           H  
-ATOM     34  HD3 PRO A 538     -19.883  15.442   0.449  1.00  0.00           H  
-ATOM     35  N   GLU A 539     -21.838  12.185  -3.369  1.00  0.00           N  
-ATOM     36  CA  GLU A 539     -22.352  10.851  -3.654  1.00  0.00           C  
-ATOM     37  C   GLU A 539     -21.212   9.840  -3.715  1.00  0.00           C  
-ATOM     38  O   GLU A 539     -20.321   9.939  -4.559  1.00  0.00           O  
-ATOM     39  CB  GLU A 539     -23.132  10.851  -4.972  1.00  0.00           C  
-ATOM     40  CG  GLU A 539     -22.366  11.457  -6.135  1.00  0.00           C  
-ATOM     41  CD  GLU A 539     -23.174  11.478  -7.418  1.00  0.00           C  
-ATOM     42  OE1 GLU A 539     -23.944  12.442  -7.619  1.00  0.00           O  
-ATOM     43  OE2 GLU A 539     -23.038  10.532  -8.221  1.00  0.00           O  
-ATOM     44  H   GLU A 539     -21.391  12.682  -4.086  1.00  0.00           H  
-ATOM     45  HA  GLU A 539     -23.018  10.574  -2.850  1.00  0.00           H  
-ATOM     46  HB2 GLU A 539     -23.385   9.833  -5.227  1.00  0.00           H  
-ATOM     47  HB3 GLU A 539     -24.042  11.415  -4.835  1.00  0.00           H  
-ATOM     48  HG2 GLU A 539     -22.096  12.472  -5.882  1.00  0.00           H  
-ATOM     49  HG3 GLU A 539     -21.470  10.878  -6.301  1.00  0.00           H  
-ATOM     50  N   PHE A 540     -21.245   8.867  -2.810  1.00  0.00           N  
-ATOM     51  CA  PHE A 540     -20.213   7.837  -2.748  1.00  0.00           C  
-ATOM     52  C   PHE A 540     -20.107   7.068  -4.064  1.00  0.00           C  
-ATOM     53  O   PHE A 540     -19.155   6.320  -4.276  1.00  0.00           O  
-ATOM     54  CB  PHE A 540     -20.497   6.866  -1.600  1.00  0.00           C  
-ATOM     55  CG  PHE A 540     -20.466   7.512  -0.244  1.00  0.00           C  
-ATOM     56  CD1 PHE A 540     -19.262   7.866   0.342  1.00  0.00           C  
-ATOM     57  CD2 PHE A 540     -21.642   7.763   0.446  1.00  0.00           C  
-ATOM     58  CE1 PHE A 540     -19.229   8.459   1.589  1.00  0.00           C  
-ATOM     59  CE2 PHE A 540     -21.616   8.357   1.694  1.00  0.00           C  
-ATOM     60  CZ  PHE A 540     -20.408   8.704   2.266  1.00  0.00           C  
-ATOM     61  H   PHE A 540     -21.980   8.845  -2.161  1.00  0.00           H  
-ATOM     62  HA  PHE A 540     -19.270   8.329  -2.560  1.00  0.00           H  
-ATOM     63  HB2 PHE A 540     -21.477   6.434  -1.740  1.00  0.00           H  
-ATOM     64  HB3 PHE A 540     -19.757   6.080  -1.612  1.00  0.00           H  
-ATOM     65  HD1 PHE A 540     -18.340   7.676  -0.186  1.00  0.00           H  
-ATOM     66  HD2 PHE A 540     -22.588   7.492   0.000  1.00  0.00           H  
-ATOM     67  HE1 PHE A 540     -18.284   8.731   2.034  1.00  0.00           H  
-ATOM     68  HE2 PHE A 540     -22.539   8.547   2.222  1.00  0.00           H  
-ATOM     69  HZ  PHE A 540     -20.385   9.168   3.241  1.00  0.00           H  
-ATOM     70  N   GLN A 541     -21.087   7.251  -4.941  1.00  0.00           N  
-ATOM     71  CA  GLN A 541     -21.092   6.571  -6.234  1.00  0.00           C  
-ATOM     72  C   GLN A 541     -19.881   6.959  -7.079  1.00  0.00           C  
-ATOM     73  O   GLN A 541     -19.147   6.095  -7.559  1.00  0.00           O  
-ATOM     74  CB  GLN A 541     -22.379   6.897  -6.998  1.00  0.00           C  
-ATOM     75  CG  GLN A 541     -22.280   6.626  -8.491  1.00  0.00           C  
-ATOM     76  CD  GLN A 541     -23.597   6.835  -9.213  1.00  0.00           C  
-ATOM     77  OE1 GLN A 541     -23.900   7.937  -9.668  1.00  0.00           O  
-ATOM     78  NE2 GLN A 541     -24.386   5.772  -9.323  1.00  0.00           N  
-ATOM     79  H   GLN A 541     -21.833   7.844  -4.716  1.00  0.00           H  
-ATOM     80  HA  GLN A 541     -21.058   5.509  -6.047  1.00  0.00           H  
-ATOM     81  HB2 GLN A 541     -23.183   6.298  -6.596  1.00  0.00           H  
-ATOM     82  HB3 GLN A 541     -22.612   7.942  -6.857  1.00  0.00           H  
-ATOM     83  HG2 GLN A 541     -21.545   7.294  -8.914  1.00  0.00           H  
-ATOM     84  HG3 GLN A 541     -21.962   5.605  -8.637  1.00  0.00           H  
-ATOM     85 HE21 GLN A 541     -24.079   4.926  -8.936  1.00  0.00           H  
-ATOM     86 HE22 GLN A 541     -25.242   5.878  -9.786  1.00  0.00           H  
-ATOM     87  N   ASN A 542     -19.681   8.262  -7.259  1.00  0.00           N  
-ATOM     88  CA  ASN A 542     -18.570   8.763  -8.061  1.00  0.00           C  
-ATOM     89  C   ASN A 542     -17.239   8.174  -7.592  1.00  0.00           C  
-ATOM     90  O   ASN A 542     -16.984   8.083  -6.391  1.00  0.00           O  
-ATOM     91  CB  ASN A 542     -18.517  10.290  -7.997  1.00  0.00           C  
-ATOM     92  CG  ASN A 542     -19.729  10.939  -8.638  1.00  0.00           C  
-ATOM     93  OD1 ASN A 542     -20.332  10.384  -9.556  1.00  0.00           O  
-ATOM     94  ND2 ASN A 542     -20.088  12.124  -8.157  1.00  0.00           N  
-ATOM     95  H   ASN A 542     -20.290   8.903  -6.836  1.00  0.00           H  
-ATOM     96  HA  ASN A 542     -18.745   8.463  -9.082  1.00  0.00           H  
-ATOM     97  HB2 ASN A 542     -18.472  10.600  -6.963  1.00  0.00           H  
-ATOM     98  HB3 ASN A 542     -17.632  10.636  -8.511  1.00  0.00           H  
-ATOM     99 HD21 ASN A 542     -19.560  12.506  -7.426  1.00  0.00           H  
-ATOM    100 HD22 ASN A 542     -20.868  12.565  -8.554  1.00  0.00           H  
-ATOM    101  N   PRO A 543     -16.368   7.765  -8.538  1.00  0.00           N  
-ATOM    102  CA  PRO A 543     -15.067   7.182  -8.210  1.00  0.00           C  
-ATOM    103  C   PRO A 543     -14.037   8.239  -7.832  1.00  0.00           C  
-ATOM    104  O   PRO A 543     -12.862   7.932  -7.628  1.00  0.00           O  
-ATOM    105  CB  PRO A 543     -14.669   6.480  -9.506  1.00  0.00           C  
-ATOM    106  CG  PRO A 543     -15.304   7.292 -10.582  1.00  0.00           C  
-ATOM    107  CD  PRO A 543     -16.581   7.844  -9.999  1.00  0.00           C  
-ATOM    108  HA  PRO A 543     -15.147   6.456  -7.413  1.00  0.00           H  
-ATOM    109  HB2 PRO A 543     -13.592   6.472  -9.599  1.00  0.00           H  
-ATOM    110  HB3 PRO A 543     -15.043   5.468  -9.502  1.00  0.00           H  
-ATOM    111  HG2 PRO A 543     -14.646   8.097 -10.869  1.00  0.00           H  
-ATOM    112  HG3 PRO A 543     -15.524   6.664 -11.433  1.00  0.00           H  
-ATOM    113  HD2 PRO A 543     -16.723   8.867 -10.312  1.00  0.00           H  
-ATOM    114  HD3 PRO A 543     -17.423   7.237 -10.298  1.00  0.00           H  
-ATOM    115  N   GLU A 544     -14.484   9.486  -7.750  1.00  0.00           N  
-ATOM    116  CA  GLU A 544     -13.603  10.593  -7.393  1.00  0.00           C  
-ATOM    117  C   GLU A 544     -13.284  10.520  -5.913  1.00  0.00           C  
-ATOM    118  O   GLU A 544     -12.122  10.517  -5.509  1.00  0.00           O  
-ATOM    119  CB  GLU A 544     -14.240  11.941  -7.751  1.00  0.00           C  
-ATOM    120  CG  GLU A 544     -15.626  12.151  -7.161  1.00  0.00           C  
-ATOM    121  CD  GLU A 544     -16.254  13.459  -7.602  1.00  0.00           C  
-ATOM    122  OE1 GLU A 544     -16.015  14.487  -6.934  1.00  0.00           O  
-ATOM    123  OE2 GLU A 544     -16.985  13.455  -8.614  1.00  0.00           O  
-ATOM    124  H   GLU A 544     -15.432   9.656  -7.906  1.00  0.00           H  
-ATOM    125  HA  GLU A 544     -12.686  10.476  -7.952  1.00  0.00           H  
-ATOM    126  HB2 GLU A 544     -13.601  12.731  -7.393  1.00  0.00           H  
-ATOM    127  HB3 GLU A 544     -14.316  12.016  -8.823  1.00  0.00           H  
-ATOM    128  HG2 GLU A 544     -16.263  11.339  -7.473  1.00  0.00           H  
-ATOM    129  HG3 GLU A 544     -15.548  12.153  -6.083  1.00  0.00           H  
-ATOM    130  N   VAL A 545     -14.331  10.472  -5.107  1.00  0.00           N  
-ATOM    131  CA  VAL A 545     -14.167  10.365  -3.675  1.00  0.00           C  
-ATOM    132  C   VAL A 545     -13.443   9.065  -3.368  1.00  0.00           C  
-ATOM    133  O   VAL A 545     -12.573   9.007  -2.500  1.00  0.00           O  
-ATOM    134  CB  VAL A 545     -15.525  10.389  -2.944  1.00  0.00           C  
-ATOM    135  CG1 VAL A 545     -15.335  10.234  -1.443  1.00  0.00           C  
-ATOM    136  CG2 VAL A 545     -16.276  11.675  -3.257  1.00  0.00           C  
-ATOM    137  H   VAL A 545     -15.229  10.539  -5.495  1.00  0.00           H  
-ATOM    138  HA  VAL A 545     -13.568  11.197  -3.334  1.00  0.00           H  
-ATOM    139  HB  VAL A 545     -16.118   9.559  -3.296  1.00  0.00           H  
-ATOM    140 HG11 VAL A 545     -14.822   9.306  -1.240  1.00  0.00           H  
-ATOM    141 HG12 VAL A 545     -16.300  10.228  -0.958  1.00  0.00           H  
-ATOM    142 HG13 VAL A 545     -14.749  11.060  -1.067  1.00  0.00           H  
-ATOM    143 HG21 VAL A 545     -17.217  11.683  -2.726  1.00  0.00           H  
-ATOM    144 HG22 VAL A 545     -16.462  11.735  -4.320  1.00  0.00           H  
-ATOM    145 HG23 VAL A 545     -15.682  12.524  -2.948  1.00  0.00           H  
-ATOM    146  N   ARG A 546     -13.830   8.023  -4.108  1.00  0.00           N  
-ATOM    147  CA  ARG A 546     -13.251   6.718  -3.957  1.00  0.00           C  
-ATOM    148  C   ARG A 546     -13.588   6.179  -2.583  1.00  0.00           C  
-ATOM    149  O   ARG A 546     -12.862   5.375  -2.018  1.00  0.00           O  
-ATOM    150  CB  ARG A 546     -11.763   6.828  -4.170  1.00  0.00           C  
-ATOM    151  CG  ARG A 546     -11.331   6.290  -5.504  1.00  0.00           C  
-ATOM    152  CD  ARG A 546     -10.178   7.093  -6.088  1.00  0.00           C  
-ATOM    153  NE  ARG A 546     -10.536   8.474  -6.396  1.00  0.00           N  
-ATOM    154  CZ  ARG A 546      -9.661   9.371  -6.847  1.00  0.00           C  
-ATOM    155  NH1 ARG A 546      -8.388   9.031  -7.014  1.00  0.00           N  
-ATOM    156  NH2 ARG A 546     -10.052  10.605  -7.133  1.00  0.00           N  
-ATOM    157  H   ARG A 546     -14.573   8.142  -4.698  1.00  0.00           H  
-ATOM    158  HA  ARG A 546     -13.676   6.072  -4.709  1.00  0.00           H  
-ATOM    159  HB2 ARG A 546     -11.515   7.872  -4.138  1.00  0.00           H  
-ATOM    160  HB3 ARG A 546     -11.238   6.298  -3.388  1.00  0.00           H  
-ATOM    161  HG2 ARG A 546     -11.015   5.252  -5.385  1.00  0.00           H  
-ATOM    162  HG3 ARG A 546     -12.184   6.357  -6.167  1.00  0.00           H  
-ATOM    163  HD2 ARG A 546      -9.366   7.097  -5.374  1.00  0.00           H  
-ATOM    164  HD3 ARG A 546      -9.850   6.608  -6.996  1.00  0.00           H  
-ATOM    165  HE  ARG A 546     -11.470   8.742  -6.270  1.00  0.00           H  
-ATOM    166 HH11 ARG A 546      -8.086   8.103  -6.800  1.00  0.00           H  
-ATOM    167 HH12 ARG A 546      -7.731   9.706  -7.352  1.00  0.00           H  
-ATOM    168 HH21 ARG A 546     -11.007  10.869  -7.014  1.00  0.00           H  
-ATOM    169 HH22 ARG A 546      -9.387  11.274  -7.470  1.00  0.00           H  
-ATOM    170  N   PHE A 547     -14.739   6.593  -2.074  1.00  0.00           N  
-ATOM    171  CA  PHE A 547     -15.158   6.189  -0.750  1.00  0.00           C  
-ATOM    172  C   PHE A 547     -14.162   6.758   0.266  1.00  0.00           C  
-ATOM    173  O   PHE A 547     -14.032   6.265   1.382  1.00  0.00           O  
-ATOM    174  CB  PHE A 547     -15.251   4.659  -0.673  1.00  0.00           C  
-ATOM    175  CG  PHE A 547     -16.538   4.140  -0.079  1.00  0.00           C  
-ATOM    176  CD1 PHE A 547     -17.095   4.718   1.054  1.00  0.00           C  
-ATOM    177  CD2 PHE A 547     -17.182   3.056  -0.651  1.00  0.00           C  
-ATOM    178  CE1 PHE A 547     -18.270   4.224   1.598  1.00  0.00           C  
-ATOM    179  CE2 PHE A 547     -18.353   2.555  -0.109  1.00  0.00           C  
-ATOM    180  CZ  PHE A 547     -18.897   3.139   1.016  1.00  0.00           C  
-ATOM    181  H   PHE A 547     -15.341   7.136  -2.623  1.00  0.00           H  
-ATOM    182  HA  PHE A 547     -16.133   6.617  -0.563  1.00  0.00           H  
-ATOM    183  HB2 PHE A 547     -15.164   4.248  -1.668  1.00  0.00           H  
-ATOM    184  HB3 PHE A 547     -14.433   4.290  -0.085  1.00  0.00           H  
-ATOM    185  HD1 PHE A 547     -16.605   5.561   1.511  1.00  0.00           H  
-ATOM    186  HD2 PHE A 547     -16.760   2.594  -1.533  1.00  0.00           H  
-ATOM    187  HE1 PHE A 547     -18.691   4.684   2.479  1.00  0.00           H  
-ATOM    188  HE2 PHE A 547     -18.843   1.704  -0.565  1.00  0.00           H  
-ATOM    189  HZ  PHE A 547     -19.811   2.745   1.442  1.00  0.00           H  
-ATOM    190  N   GLN A 548     -13.415   7.765  -0.214  1.00  0.00           N  
-ATOM    191  CA  GLN A 548     -12.416   8.521   0.547  1.00  0.00           C  
-ATOM    192  C   GLN A 548     -11.743   7.724   1.652  1.00  0.00           C  
-ATOM    193  O   GLN A 548     -10.613   7.257   1.506  1.00  0.00           O  
-ATOM    194  CB  GLN A 548     -13.054   9.778   1.141  1.00  0.00           C  
-ATOM    195  CG  GLN A 548     -12.613  11.064   0.460  1.00  0.00           C  
-ATOM    196  CD  GLN A 548     -13.262  12.299   1.057  1.00  0.00           C  
-ATOM    197  OE1 GLN A 548     -13.495  13.289   0.362  1.00  0.00           O  
-ATOM    198  NE2 GLN A 548     -13.551  12.252   2.353  1.00  0.00           N  
-ATOM    199  H   GLN A 548     -13.498   7.969  -1.158  1.00  0.00           H  
-ATOM    200  HA  GLN A 548     -11.654   8.832  -0.150  1.00  0.00           H  
-ATOM    201  HB2 GLN A 548     -14.127   9.698   1.052  1.00  0.00           H  
-ATOM    202  HB3 GLN A 548     -12.791   9.841   2.187  1.00  0.00           H  
-ATOM    203  HG2 GLN A 548     -11.542  11.158   0.555  1.00  0.00           H  
-ATOM    204  HG3 GLN A 548     -12.876  11.008  -0.586  1.00  0.00           H  
-ATOM    205 HE21 GLN A 548     -13.335  11.433   2.847  1.00  0.00           H  
-ATOM    206 HE22 GLN A 548     -13.970  13.037   2.762  1.00  0.00           H  
-ATOM    207  N   GLN A 549     -12.450   7.583   2.752  1.00  0.00           N  
-ATOM    208  CA  GLN A 549     -11.918   6.880   3.921  1.00  0.00           C  
-ATOM    209  C   GLN A 549     -11.838   5.388   3.651  1.00  0.00           C  
-ATOM    210  O   GLN A 549     -10.808   4.750   3.865  1.00  0.00           O  
-ATOM    211  CB  GLN A 549     -12.793   7.146   5.147  1.00  0.00           C  
-ATOM    212  CG  GLN A 549     -12.942   8.621   5.481  1.00  0.00           C  
-ATOM    213  CD  GLN A 549     -11.611   9.299   5.758  1.00  0.00           C  
-ATOM    214  OE1 GLN A 549     -11.442  10.489   5.490  1.00  0.00           O  
-ATOM    215  NE2 GLN A 549     -10.659   8.545   6.298  1.00  0.00           N  
-ATOM    216  H   GLN A 549     -13.374   7.911   2.751  1.00  0.00           H  
-ATOM    217  HA  GLN A 549     -10.923   7.254   4.110  1.00  0.00           H  
-ATOM    218  HB2 GLN A 549     -13.773   6.738   4.971  1.00  0.00           H  
-ATOM    219  HB3 GLN A 549     -12.361   6.647   5.997  1.00  0.00           H  
-ATOM    220  HG2 GLN A 549     -13.413   9.118   4.647  1.00  0.00           H  
-ATOM    221  HG3 GLN A 549     -13.568   8.718   6.357  1.00  0.00           H  
-ATOM    222 HE21 GLN A 549     -10.861   7.606   6.487  1.00  0.00           H  
-ATOM    223 HE22 GLN A 549      -9.791   8.962   6.485  1.00  0.00           H  
-ATOM    224  N   GLN A 550     -12.947   4.843   3.186  1.00  0.00           N  
-ATOM    225  CA  GLN A 550     -13.011   3.450   2.850  1.00  0.00           C  
-ATOM    226  C   GLN A 550     -11.855   3.115   1.908  1.00  0.00           C  
-ATOM    227  O   GLN A 550     -11.204   2.066   2.021  1.00  0.00           O  
-ATOM    228  CB  GLN A 550     -14.337   3.171   2.207  1.00  0.00           C  
-ATOM    229  CG  GLN A 550     -15.472   2.971   3.182  1.00  0.00           C  
-ATOM    230  CD  GLN A 550     -15.141   2.095   4.371  1.00  0.00           C  
-ATOM    231  OE1 GLN A 550     -14.474   2.526   5.311  1.00  0.00           O  
-ATOM    232  NE2 GLN A 550     -15.657   0.876   4.355  1.00  0.00           N  
-ATOM    233  H   GLN A 550     -13.745   5.398   3.138  1.00  0.00           H  
-ATOM    234  HA  GLN A 550     -12.933   2.880   3.758  1.00  0.00           H  
-ATOM    235  HB2 GLN A 550     -14.589   4.016   1.600  1.00  0.00           H  
-ATOM    236  HB3 GLN A 550     -14.249   2.318   1.593  1.00  0.00           H  
-ATOM    237  HG2 GLN A 550     -15.747   3.927   3.543  1.00  0.00           H  
-ATOM    238  HG3 GLN A 550     -16.309   2.535   2.655  1.00  0.00           H  
-ATOM    239 HE21 GLN A 550     -16.213   0.624   3.587  1.00  0.00           H  
-ATOM    240 HE22 GLN A 550     -15.462   0.279   5.107  1.00  0.00           H  
-ATOM    241  N   LEU A 551     -11.607   4.038   0.975  1.00  0.00           N  
-ATOM    242  CA  LEU A 551     -10.506   3.901   0.024  1.00  0.00           C  
-ATOM    243  C   LEU A 551      -9.185   3.886   0.769  1.00  0.00           C  
-ATOM    244  O   LEU A 551      -8.283   3.125   0.437  1.00  0.00           O  
-ATOM    245  CB  LEU A 551     -10.513   5.066  -0.973  1.00  0.00           C  
-ATOM    246  CG  LEU A 551      -9.235   5.903  -1.026  1.00  0.00           C  
-ATOM    247  CD1 LEU A 551      -8.184   5.232  -1.900  1.00  0.00           C  
-ATOM    248  CD2 LEU A 551      -9.530   7.309  -1.528  1.00  0.00           C  
-ATOM    249  H   LEU A 551     -12.192   4.824   0.917  1.00  0.00           H  
-ATOM    250  HA  LEU A 551     -10.625   2.974  -0.508  1.00  0.00           H  
-ATOM    251  HB2 LEU A 551     -10.696   4.665  -1.959  1.00  0.00           H  
-ATOM    252  HB3 LEU A 551     -11.329   5.723  -0.714  1.00  0.00           H  
-ATOM    253  HG  LEU A 551      -8.839   5.982  -0.029  1.00  0.00           H  
-ATOM    254 HD11 LEU A 551      -8.568   5.122  -2.904  1.00  0.00           H  
-ATOM    255 HD12 LEU A 551      -7.949   4.260  -1.496  1.00  0.00           H  
-ATOM    256 HD13 LEU A 551      -7.291   5.840  -1.920  1.00  0.00           H  
-ATOM    257 HD21 LEU A 551      -9.838   7.265  -2.562  1.00  0.00           H  
-ATOM    258 HD22 LEU A 551      -8.639   7.915  -1.445  1.00  0.00           H  
-ATOM    259 HD23 LEU A 551     -10.319   7.745  -0.935  1.00  0.00           H  
-ATOM    260  N   GLU A 552      -9.086   4.745   1.775  1.00  0.00           N  
-ATOM    261  CA  GLU A 552      -7.882   4.849   2.566  1.00  0.00           C  
-ATOM    262  C   GLU A 552      -7.502   3.475   3.098  1.00  0.00           C  
-ATOM    263  O   GLU A 552      -6.323   3.172   3.259  1.00  0.00           O  
-ATOM    264  CB  GLU A 552      -8.076   5.857   3.705  1.00  0.00           C  
-ATOM    265  CG  GLU A 552      -7.167   5.627   4.896  1.00  0.00           C  
-ATOM    266  CD  GLU A 552      -5.702   5.850   4.570  1.00  0.00           C  
-ATOM    267  OE1 GLU A 552      -5.336   6.997   4.240  1.00  0.00           O  
-ATOM    268  OE2 GLU A 552      -4.922   4.879   4.650  1.00  0.00           O  
-ATOM    269  H   GLU A 552      -9.856   5.305   1.993  1.00  0.00           H  
-ATOM    270  HA  GLU A 552      -7.092   5.197   1.918  1.00  0.00           H  
-ATOM    271  HB2 GLU A 552      -7.884   6.849   3.324  1.00  0.00           H  
-ATOM    272  HB3 GLU A 552      -9.097   5.809   4.045  1.00  0.00           H  
-ATOM    273  HG2 GLU A 552      -7.451   6.304   5.688  1.00  0.00           H  
-ATOM    274  HG3 GLU A 552      -7.299   4.611   5.228  1.00  0.00           H  
-ATOM    275  N   GLN A 553      -8.508   2.641   3.363  1.00  0.00           N  
-ATOM    276  CA  GLN A 553      -8.258   1.315   3.862  1.00  0.00           C  
-ATOM    277  C   GLN A 553      -7.797   0.349   2.764  1.00  0.00           C  
-ATOM    278  O   GLN A 553      -6.695  -0.207   2.881  1.00  0.00           O  
-ATOM    279  CB  GLN A 553      -9.509   0.807   4.544  1.00  0.00           C  
-ATOM    280  CG  GLN A 553      -9.597   1.222   6.001  1.00  0.00           C  
-ATOM    281  CD  GLN A 553     -10.399   2.493   6.216  1.00  0.00           C  
-ATOM    282  OE1 GLN A 553     -10.127   3.260   7.141  1.00  0.00           O  
-ATOM    283  NE2 GLN A 553     -11.390   2.723   5.368  1.00  0.00           N  
-ATOM    284  H   GLN A 553      -9.431   2.934   3.254  1.00  0.00           H  
-ATOM    285  HA  GLN A 553      -7.475   1.389   4.599  1.00  0.00           H  
-ATOM    286  HB2 GLN A 553     -10.366   1.202   4.024  1.00  0.00           H  
-ATOM    287  HB3 GLN A 553      -9.527  -0.260   4.488  1.00  0.00           H  
-ATOM    288  HG2 GLN A 553     -10.056   0.425   6.566  1.00  0.00           H  
-ATOM    289  HG3 GLN A 553      -8.594   1.388   6.361  1.00  0.00           H  
-ATOM    290 HE21 GLN A 553     -11.553   2.071   4.656  1.00  0.00           H  
-ATOM    291 HE22 GLN A 553     -11.922   3.538   5.489  1.00  0.00           H  
-ATOM    292  N   LEU A 554      -8.576   0.120   1.681  1.00  0.00           N  
-ATOM    293  CA  LEU A 554      -8.081  -0.781   0.642  1.00  0.00           C  
-ATOM    294  C   LEU A 554      -6.757  -0.283   0.099  1.00  0.00           C  
-ATOM    295  O   LEU A 554      -5.892  -1.074  -0.272  1.00  0.00           O  
-ATOM    296  CB  LEU A 554      -9.097  -0.984  -0.507  1.00  0.00           C  
-ATOM    297  CG  LEU A 554     -10.023  -2.179  -0.325  1.00  0.00           C  
-ATOM    298  CD1 LEU A 554     -10.962  -2.301  -1.506  1.00  0.00           C  
-ATOM    299  CD2 LEU A 554      -9.220  -3.462  -0.156  1.00  0.00           C  
-ATOM    300  H   LEU A 554      -9.502   0.436   1.582  1.00  0.00           H  
-ATOM    301  HA  LEU A 554      -7.906  -1.737   1.114  1.00  0.00           H  
-ATOM    302  HB2 LEU A 554      -9.719  -0.097  -0.619  1.00  0.00           H  
-ATOM    303  HB3 LEU A 554      -8.543  -1.128  -1.423  1.00  0.00           H  
-ATOM    304  HG  LEU A 554     -10.615  -2.030   0.565  1.00  0.00           H  
-ATOM    305 HD11 LEU A 554     -10.391  -2.474  -2.403  1.00  0.00           H  
-ATOM    306 HD12 LEU A 554     -11.524  -1.387  -1.614  1.00  0.00           H  
-ATOM    307 HD13 LEU A 554     -11.642  -3.125  -1.346  1.00  0.00           H  
-ATOM    308 HD21 LEU A 554      -8.616  -3.394   0.735  1.00  0.00           H  
-ATOM    309 HD22 LEU A 554      -8.581  -3.601  -1.015  1.00  0.00           H  
-ATOM    310 HD23 LEU A 554      -9.896  -4.300  -0.070  1.00  0.00           H  
-ATOM    311  N   SER A 555      -6.595   1.030   0.076  1.00  0.00           N  
-ATOM    312  CA  SER A 555      -5.358   1.623  -0.389  1.00  0.00           C  
-ATOM    313  C   SER A 555      -4.262   1.312   0.614  1.00  0.00           C  
-ATOM    314  O   SER A 555      -3.127   1.019   0.241  1.00  0.00           O  
-ATOM    315  CB  SER A 555      -5.509   3.135  -0.561  1.00  0.00           C  
-ATOM    316  OG  SER A 555      -4.294   3.725  -0.985  1.00  0.00           O  
-ATOM    317  H   SER A 555      -7.315   1.609   0.394  1.00  0.00           H  
-ATOM    318  HA  SER A 555      -5.106   1.177  -1.340  1.00  0.00           H  
-ATOM    319  HB2 SER A 555      -6.270   3.339  -1.300  1.00  0.00           H  
-ATOM    320  HB3 SER A 555      -5.799   3.576   0.383  1.00  0.00           H  
-ATOM    321  HG  SER A 555      -3.984   3.286  -1.779  1.00  0.00           H  
-ATOM    322  N   ALA A 556      -4.615   1.384   1.899  1.00  0.00           N  
-ATOM    323  CA  ALA A 556      -3.676   1.095   2.970  1.00  0.00           C  
-ATOM    324  C   ALA A 556      -3.045  -0.282   2.835  1.00  0.00           C  
-ATOM    325  O   ALA A 556      -1.929  -0.493   3.313  1.00  0.00           O  
-ATOM    326  CB  ALA A 556      -4.361   1.220   4.323  1.00  0.00           C  
-ATOM    327  H   ALA A 556      -5.491   1.739   2.152  1.00  0.00           H  
-ATOM    328  HA  ALA A 556      -2.899   1.839   2.928  1.00  0.00           H  
-ATOM    329  HB1 ALA A 556      -3.648   1.014   5.108  1.00  0.00           H  
-ATOM    330  HB2 ALA A 556      -5.175   0.515   4.381  1.00  0.00           H  
-ATOM    331  HB3 ALA A 556      -4.743   2.223   4.441  1.00  0.00           H  
-ATOM    332  N   MET A 557      -3.732  -1.234   2.198  1.00  0.00           N  
-ATOM    333  CA  MET A 557      -3.162  -2.570   2.035  1.00  0.00           C  
-ATOM    334  C   MET A 557      -2.346  -2.661   0.746  1.00  0.00           C  
-ATOM    335  O   MET A 557      -2.163  -3.741   0.183  1.00  0.00           O  
-ATOM    336  CB  MET A 557      -4.259  -3.634   2.046  1.00  0.00           C  
-ATOM    337  CG  MET A 557      -4.482  -4.254   3.415  1.00  0.00           C  
-ATOM    338  SD  MET A 557      -2.976  -4.956   4.117  1.00  0.00           S  
-ATOM    339  CE  MET A 557      -2.551  -6.168   2.868  1.00  0.00           C  
-ATOM    340  H   MET A 557      -4.618  -1.060   1.801  1.00  0.00           H  
-ATOM    341  HA  MET A 557      -2.501  -2.744   2.871  1.00  0.00           H  
-ATOM    342  HB2 MET A 557      -5.186  -3.183   1.723  1.00  0.00           H  
-ATOM    343  HB3 MET A 557      -3.991  -4.421   1.357  1.00  0.00           H  
-ATOM    344  HG2 MET A 557      -4.853  -3.491   4.083  1.00  0.00           H  
-ATOM    345  HG3 MET A 557      -5.218  -5.038   3.323  1.00  0.00           H  
-ATOM    346  HE1 MET A 557      -3.381  -6.843   2.725  1.00  0.00           H  
-ATOM    347  HE2 MET A 557      -1.683  -6.725   3.188  1.00  0.00           H  
-ATOM    348  HE3 MET A 557      -2.332  -5.664   1.938  1.00  0.00           H  
-ATOM    349  N   GLY A 558      -1.860  -1.512   0.297  1.00  0.00           N  
-ATOM    350  CA  GLY A 558      -1.038  -1.453  -0.900  1.00  0.00           C  
-ATOM    351  C   GLY A 558      -1.790  -1.594  -2.217  1.00  0.00           C  
-ATOM    352  O   GLY A 558      -1.300  -2.259  -3.130  1.00  0.00           O  
-ATOM    353  H   GLY A 558      -2.038  -0.699   0.815  1.00  0.00           H  
-ATOM    354  HA2 GLY A 558      -0.520  -0.507  -0.909  1.00  0.00           H  
-ATOM    355  HA3 GLY A 558      -0.300  -2.242  -0.842  1.00  0.00           H  
-ATOM    356  N   PHE A 559      -2.968  -0.985  -2.337  1.00  0.00           N  
-ATOM    357  CA  PHE A 559      -3.712  -1.027  -3.570  1.00  0.00           C  
-ATOM    358  C   PHE A 559      -3.609   0.302  -4.305  1.00  0.00           C  
-ATOM    359  O   PHE A 559      -3.889   1.357  -3.735  1.00  0.00           O  
-ATOM    360  CB  PHE A 559      -5.155  -1.356  -3.266  1.00  0.00           C  
-ATOM    361  CG  PHE A 559      -5.391  -2.829  -3.290  1.00  0.00           C  
-ATOM    362  CD1 PHE A 559      -5.544  -3.502  -4.489  1.00  0.00           C  
-ATOM    363  CD2 PHE A 559      -5.446  -3.537  -2.111  1.00  0.00           C  
-ATOM    364  CE1 PHE A 559      -5.748  -4.865  -4.510  1.00  0.00           C  
-ATOM    365  CE2 PHE A 559      -5.653  -4.912  -2.122  1.00  0.00           C  
-ATOM    366  CZ  PHE A 559      -5.802  -5.572  -3.326  1.00  0.00           C  
-ATOM    367  H   PHE A 559      -3.342  -0.483  -1.593  1.00  0.00           H  
-ATOM    368  HA  PHE A 559      -3.294  -1.806  -4.190  1.00  0.00           H  
-ATOM    369  HB2 PHE A 559      -5.410  -0.978  -2.288  1.00  0.00           H  
-ATOM    370  HB3 PHE A 559      -5.790  -0.894  -3.982  1.00  0.00           H  
-ATOM    371  HD1 PHE A 559      -5.502  -2.950  -5.417  1.00  0.00           H  
-ATOM    372  HD2 PHE A 559      -5.305  -3.005  -1.178  1.00  0.00           H  
-ATOM    373  HE1 PHE A 559      -5.864  -5.380  -5.453  1.00  0.00           H  
-ATOM    374  HE2 PHE A 559      -5.707  -5.468  -1.198  1.00  0.00           H  
-ATOM    375  HZ  PHE A 559      -5.963  -6.640  -3.340  1.00  0.00           H  
-ATOM    376  N   LEU A 560      -3.207   0.255  -5.573  1.00  0.00           N  
-ATOM    377  CA  LEU A 560      -3.070   1.465  -6.372  1.00  0.00           C  
-ATOM    378  C   LEU A 560      -4.328   1.677  -7.200  1.00  0.00           C  
-ATOM    379  O   LEU A 560      -4.593   2.781  -7.681  1.00  0.00           O  
-ATOM    380  CB  LEU A 560      -1.847   1.373  -7.288  1.00  0.00           C  
-ATOM    381  CG  LEU A 560      -0.494   1.373  -6.572  1.00  0.00           C  
-ATOM    382  CD1 LEU A 560       0.637   1.229  -7.577  1.00  0.00           C  
-ATOM    383  CD2 LEU A 560      -0.322   2.645  -5.753  1.00  0.00           C  
-ATOM    384  H   LEU A 560      -3.029  -0.608  -6.003  1.00  0.00           H  
-ATOM    385  HA  LEU A 560      -2.948   2.299  -5.698  1.00  0.00           H  
-ATOM    386  HB2 LEU A 560      -1.925   0.464  -7.866  1.00  0.00           H  
-ATOM    387  HB3 LEU A 560      -1.868   2.213  -7.968  1.00  0.00           H  
-ATOM    388  HG  LEU A 560      -0.452   0.530  -5.898  1.00  0.00           H  
-ATOM    389 HD11 LEU A 560       0.619   2.065  -8.260  1.00  0.00           H  
-ATOM    390 HD12 LEU A 560       0.514   0.309  -8.128  1.00  0.00           H  
-ATOM    391 HD13 LEU A 560       1.582   1.211  -7.054  1.00  0.00           H  
-ATOM    392 HD21 LEU A 560      -0.394   3.504  -6.403  1.00  0.00           H  
-ATOM    393 HD22 LEU A 560       0.646   2.636  -5.272  1.00  0.00           H  
-ATOM    394 HD23 LEU A 560      -1.096   2.696  -5.001  1.00  0.00           H  
-ATOM    395  N   ASN A 561      -5.096   0.606  -7.360  1.00  0.00           N  
-ATOM    396  CA  ASN A 561      -6.342   0.665  -8.107  1.00  0.00           C  
-ATOM    397  C   ASN A 561      -7.401   1.317  -7.229  1.00  0.00           C  
-ATOM    398  O   ASN A 561      -8.209   0.640  -6.594  1.00  0.00           O  
-ATOM    399  CB  ASN A 561      -6.776  -0.736  -8.540  1.00  0.00           C  
-ATOM    400  CG  ASN A 561      -7.659  -0.713  -9.772  1.00  0.00           C  
-ATOM    401  OD1 ASN A 561      -8.395   0.246 -10.005  1.00  0.00           O  
-ATOM    402  ND2 ASN A 561      -7.589  -1.772 -10.570  1.00  0.00           N  
-ATOM    403  H   ASN A 561      -4.823  -0.238  -6.943  1.00  0.00           H  
-ATOM    404  HA  ASN A 561      -6.179   1.279  -8.982  1.00  0.00           H  
-ATOM    405  HB2 ASN A 561      -5.900  -1.326  -8.759  1.00  0.00           H  
-ATOM    406  HB3 ASN A 561      -7.326  -1.202  -7.734  1.00  0.00           H  
-ATOM    407 HD21 ASN A 561      -6.981  -2.499 -10.321  1.00  0.00           H  
-ATOM    408 HD22 ASN A 561      -8.149  -1.782 -11.375  1.00  0.00           H  
-ATOM    409  N   ARG A 562      -7.380   2.643  -7.208  1.00  0.00           N  
-ATOM    410  CA  ARG A 562      -8.290   3.424  -6.382  1.00  0.00           C  
-ATOM    411  C   ARG A 562      -9.752   3.155  -6.738  1.00  0.00           C  
-ATOM    412  O   ARG A 562     -10.563   2.848  -5.865  1.00  0.00           O  
-ATOM    413  CB  ARG A 562      -7.963   4.906  -6.531  1.00  0.00           C  
-ATOM    414  CG  ARG A 562      -6.471   5.204  -6.511  1.00  0.00           C  
-ATOM    415  CD  ARG A 562      -5.866   4.934  -5.142  1.00  0.00           C  
-ATOM    416  NE  ARG A 562      -4.413   5.065  -5.149  1.00  0.00           N  
-ATOM    417  CZ  ARG A 562      -3.697   5.419  -4.086  1.00  0.00           C  
-ATOM    418  NH1 ARG A 562      -4.300   5.690  -2.936  1.00  0.00           N  
-ATOM    419  NH2 ARG A 562      -2.377   5.505  -4.172  1.00  0.00           N  
-ATOM    420  H   ARG A 562      -6.752   3.112  -7.795  1.00  0.00           H  
-ATOM    421  HA  ARG A 562      -8.129   3.137  -5.356  1.00  0.00           H  
-ATOM    422  HB2 ARG A 562      -8.369   5.264  -7.465  1.00  0.00           H  
-ATOM    423  HB3 ARG A 562      -8.423   5.445  -5.717  1.00  0.00           H  
-ATOM    424  HG2 ARG A 562      -5.980   4.576  -7.240  1.00  0.00           H  
-ATOM    425  HG3 ARG A 562      -6.319   6.242  -6.764  1.00  0.00           H  
-ATOM    426  HD2 ARG A 562      -6.277   5.639  -4.436  1.00  0.00           H  
-ATOM    427  HD3 ARG A 562      -6.127   3.930  -4.839  1.00  0.00           H  
-ATOM    428  HE  ARG A 562      -3.943   4.874  -5.989  1.00  0.00           H  
-ATOM    429 HH11 ARG A 562      -5.296   5.628  -2.866  1.00  0.00           H  
-ATOM    430 HH12 ARG A 562      -3.760   5.956  -2.138  1.00  0.00           H  
-ATOM    431 HH21 ARG A 562      -1.918   5.303  -5.037  1.00  0.00           H  
-ATOM    432 HH22 ARG A 562      -1.840   5.771  -3.372  1.00  0.00           H  
-ATOM    433  N   GLU A 563     -10.085   3.302  -8.014  1.00  0.00           N  
-ATOM    434  CA  GLU A 563     -11.446   3.051  -8.489  1.00  0.00           C  
-ATOM    435  C   GLU A 563     -11.928   1.672  -8.048  1.00  0.00           C  
-ATOM    436  O   GLU A 563     -13.117   1.463  -7.760  1.00  0.00           O  
-ATOM    437  CB  GLU A 563     -11.494   3.144 -10.011  1.00  0.00           C  
-ATOM    438  CG  GLU A 563     -11.725   4.552 -10.535  1.00  0.00           C  
-ATOM    439  CD  GLU A 563     -10.637   5.519 -10.108  1.00  0.00           C  
-ATOM    440  OE1 GLU A 563      -9.552   5.502 -10.726  1.00  0.00           O  
-ATOM    441  OE2 GLU A 563     -10.872   6.294  -9.157  1.00  0.00           O  
-ATOM    442  H   GLU A 563      -9.403   3.614  -8.646  1.00  0.00           H  
-ATOM    443  HA  GLU A 563     -12.094   3.803  -8.066  1.00  0.00           H  
-ATOM    444  HB2 GLU A 563     -10.557   2.785 -10.411  1.00  0.00           H  
-ATOM    445  HB3 GLU A 563     -12.289   2.511 -10.370  1.00  0.00           H  
-ATOM    446  HG2 GLU A 563     -11.754   4.521 -11.613  1.00  0.00           H  
-ATOM    447  HG3 GLU A 563     -12.673   4.910 -10.160  1.00  0.00           H  
-ATOM    448  N   ALA A 564     -10.984   0.746  -7.951  1.00  0.00           N  
-ATOM    449  CA  ALA A 564     -11.280  -0.626  -7.570  1.00  0.00           C  
-ATOM    450  C   ALA A 564     -11.599  -0.723  -6.088  1.00  0.00           C  
-ATOM    451  O   ALA A 564     -12.266  -1.661  -5.652  1.00  0.00           O  
-ATOM    452  CB  ALA A 564     -10.120  -1.542  -7.920  1.00  0.00           C  
-ATOM    453  H   ALA A 564     -10.047   1.004  -8.063  1.00  0.00           H  
-ATOM    454  HA  ALA A 564     -12.143  -0.947  -8.134  1.00  0.00           H  
-ATOM    455  HB1 ALA A 564      -9.905  -1.464  -8.976  1.00  0.00           H  
-ATOM    456  HB2 ALA A 564     -10.382  -2.561  -7.680  1.00  0.00           H  
-ATOM    457  HB3 ALA A 564      -9.249  -1.252  -7.352  1.00  0.00           H  
-ATOM    458  N   ASN A 565     -11.120   0.245  -5.307  1.00  0.00           N  
-ATOM    459  CA  ASN A 565     -11.354   0.237  -3.872  1.00  0.00           C  
-ATOM    460  C   ASN A 565     -12.758   0.729  -3.584  1.00  0.00           C  
-ATOM    461  O   ASN A 565     -13.507   0.098  -2.848  1.00  0.00           O  
-ATOM    462  CB  ASN A 565     -10.352   1.134  -3.146  1.00  0.00           C  
-ATOM    463  CG  ASN A 565      -8.932   0.926  -3.614  1.00  0.00           C  
-ATOM    464  OD1 ASN A 565      -8.546  -0.172  -4.017  1.00  0.00           O  
-ATOM    465  ND2 ASN A 565      -8.144   1.991  -3.564  1.00  0.00           N  
-ATOM    466  H   ASN A 565     -10.711   1.042  -5.697  1.00  0.00           H  
-ATOM    467  HA  ASN A 565     -11.252  -0.776  -3.518  1.00  0.00           H  
-ATOM    468  HB2 ASN A 565     -10.618   2.166  -3.316  1.00  0.00           H  
-ATOM    469  HB3 ASN A 565     -10.397   0.926  -2.088  1.00  0.00           H  
-ATOM    470 HD21 ASN A 565      -8.523   2.831  -3.232  1.00  0.00           H  
-ATOM    471 HD22 ASN A 565      -7.220   1.895  -3.863  1.00  0.00           H  
-ATOM    472  N   LEU A 566     -13.124   1.848  -4.207  1.00  0.00           N  
-ATOM    473  CA  LEU A 566     -14.411   2.420  -4.022  1.00  0.00           C  
-ATOM    474  C   LEU A 566     -15.466   1.370  -4.274  1.00  0.00           C  
-ATOM    475  O   LEU A 566     -16.396   1.200  -3.484  1.00  0.00           O  
-ATOM    476  CB  LEU A 566     -14.595   3.570  -4.994  1.00  0.00           C  
-ATOM    477  CG  LEU A 566     -16.003   4.031  -5.032  1.00  0.00           C  
-ATOM    478  CD1 LEU A 566     -16.163   5.327  -4.276  1.00  0.00           C  
-ATOM    479  CD2 LEU A 566     -16.527   4.134  -6.454  1.00  0.00           C  
-ATOM    480  H   LEU A 566     -12.550   2.251  -4.866  1.00  0.00           H  
-ATOM    481  HA  LEU A 566     -14.509   2.788  -3.017  1.00  0.00           H  
-ATOM    482  HB2 LEU A 566     -13.964   4.392  -4.700  1.00  0.00           H  
-ATOM    483  HB3 LEU A 566     -14.321   3.240  -5.979  1.00  0.00           H  
-ATOM    484  HG  LEU A 566     -16.547   3.283  -4.518  1.00  0.00           H  
-ATOM    485 HD11 LEU A 566     -17.207   5.573  -4.193  1.00  0.00           H  
-ATOM    486 HD12 LEU A 566     -15.643   6.113  -4.802  1.00  0.00           H  
-ATOM    487 HD13 LEU A 566     -15.738   5.211  -3.289  1.00  0.00           H  
-ATOM    488 HD21 LEU A 566     -16.422   3.173  -6.947  1.00  0.00           H  
-ATOM    489 HD22 LEU A 566     -15.956   4.885  -6.993  1.00  0.00           H  
-ATOM    490 HD23 LEU A 566     -17.575   4.420  -6.432  1.00  0.00           H  
-ATOM    491  N   GLN A 567     -15.314   0.665  -5.382  1.00  0.00           N  
-ATOM    492  CA  GLN A 567     -16.285  -0.349  -5.728  1.00  0.00           C  
-ATOM    493  C   GLN A 567     -16.197  -1.568  -4.854  1.00  0.00           C  
-ATOM    494  O   GLN A 567     -17.228  -2.148  -4.513  1.00  0.00           O  
-ATOM    495  CB  GLN A 567     -16.217  -0.722  -7.210  1.00  0.00           C  
-ATOM    496  CG  GLN A 567     -17.292  -1.711  -7.635  1.00  0.00           C  
-ATOM    497  CD  GLN A 567     -17.102  -2.214  -9.055  1.00  0.00           C  
-ATOM    498  OE1 GLN A 567     -17.475  -3.343  -9.378  1.00  0.00           O  
-ATOM    499  NE2 GLN A 567     -16.522  -1.381  -9.911  1.00  0.00           N  
-ATOM    500  H   GLN A 567     -14.535   0.832  -5.957  1.00  0.00           H  
-ATOM    501  HA  GLN A 567     -17.230   0.082  -5.510  1.00  0.00           H  
-ATOM    502  HB2 GLN A 567     -16.328   0.175  -7.801  1.00  0.00           H  
-ATOM    503  HB3 GLN A 567     -15.252  -1.161  -7.415  1.00  0.00           H  
-ATOM    504  HG2 GLN A 567     -17.270  -2.557  -6.966  1.00  0.00           H  
-ATOM    505  HG3 GLN A 567     -18.255  -1.226  -7.568  1.00  0.00           H  
-ATOM    506 HE21 GLN A 567     -16.253  -0.497  -9.586  1.00  0.00           H  
-ATOM    507 HE22 GLN A 567     -16.389  -1.683 -10.834  1.00  0.00           H  
-ATOM    508  N   ALA A 568     -15.004  -1.981  -4.488  1.00  0.00           N  
-ATOM    509  CA  ALA A 568     -14.899  -3.125  -3.626  1.00  0.00           C  
-ATOM    510  C   ALA A 568     -15.620  -2.815  -2.328  1.00  0.00           C  
-ATOM    511  O   ALA A 568     -16.224  -3.698  -1.713  1.00  0.00           O  
-ATOM    512  CB  ALA A 568     -13.444  -3.480  -3.377  1.00  0.00           C  
-ATOM    513  H   ALA A 568     -14.190  -1.513  -4.767  1.00  0.00           H  
-ATOM    514  HA  ALA A 568     -15.383  -3.962  -4.113  1.00  0.00           H  
-ATOM    515  HB1 ALA A 568     -12.921  -2.608  -3.019  1.00  0.00           H  
-ATOM    516  HB2 ALA A 568     -12.993  -3.819  -4.297  1.00  0.00           H  
-ATOM    517  HB3 ALA A 568     -13.386  -4.264  -2.637  1.00  0.00           H  
-ATOM    518  N   LEU A 569     -15.606  -1.537  -1.929  1.00  0.00           N  
-ATOM    519  CA  LEU A 569     -16.230  -1.127  -0.712  1.00  0.00           C  
-ATOM    520  C   LEU A 569     -17.751  -1.114  -0.831  1.00  0.00           C  
-ATOM    521  O   LEU A 569     -18.462  -1.463   0.112  1.00  0.00           O  
-ATOM    522  CB  LEU A 569     -15.704   0.250  -0.412  1.00  0.00           C  
-ATOM    523  CG  LEU A 569     -14.422   0.303   0.412  1.00  0.00           C  
-ATOM    524  CD1 LEU A 569     -14.698  -0.103   1.845  1.00  0.00           C  
-ATOM    525  CD2 LEU A 569     -13.336  -0.581  -0.169  1.00  0.00           C  
-ATOM    526  H   LEU A 569     -15.203  -0.810  -2.481  1.00  0.00           H  
-ATOM    527  HA  LEU A 569     -15.933  -1.801   0.074  1.00  0.00           H  
-ATOM    528  HB2 LEU A 569     -15.517   0.748  -1.352  1.00  0.00           H  
-ATOM    529  HB3 LEU A 569     -16.461   0.784   0.102  1.00  0.00           H  
-ATOM    530  HG  LEU A 569     -14.060   1.321   0.399  1.00  0.00           H  
-ATOM    531 HD11 LEU A 569     -13.831   0.111   2.453  1.00  0.00           H  
-ATOM    532 HD12 LEU A 569     -14.913  -1.160   1.885  1.00  0.00           H  
-ATOM    533 HD13 LEU A 569     -15.546   0.451   2.217  1.00  0.00           H  
-ATOM    534 HD21 LEU A 569     -12.814  -0.042  -0.952  1.00  0.00           H  
-ATOM    535 HD22 LEU A 569     -13.780  -1.483  -0.579  1.00  0.00           H  
-ATOM    536 HD23 LEU A 569     -12.635  -0.847   0.616  1.00  0.00           H  
-ATOM    537  N   ILE A 570     -18.242  -0.708  -1.998  1.00  0.00           N  
-ATOM    538  CA  ILE A 570     -19.676  -0.637  -2.247  1.00  0.00           C  
-ATOM    539  C   ILE A 570     -20.298  -2.026  -2.221  1.00  0.00           C  
-ATOM    540  O   ILE A 570     -21.407  -2.214  -1.719  1.00  0.00           O  
-ATOM    541  CB  ILE A 570     -19.971   0.031  -3.608  1.00  0.00           C  
-ATOM    542  CG1 ILE A 570     -19.646   1.529  -3.557  1.00  0.00           C  
-ATOM    543  CG2 ILE A 570     -21.420  -0.190  -4.020  1.00  0.00           C  
-ATOM    544  CD1 ILE A 570     -20.564   2.325  -2.652  1.00  0.00           C  
-ATOM    545  H   ILE A 570     -17.623  -0.474  -2.721  1.00  0.00           H  
-ATOM    546  HA  ILE A 570     -20.121  -0.036  -1.467  1.00  0.00           H  
-ATOM    547  HB  ILE A 570     -19.341  -0.436  -4.351  1.00  0.00           H  
-ATOM    548 HG12 ILE A 570     -18.637   1.659  -3.197  1.00  0.00           H  
-ATOM    549 HG13 ILE A 570     -19.723   1.940  -4.553  1.00  0.00           H  
-ATOM    550 HG21 ILE A 570     -21.588  -1.242  -4.201  1.00  0.00           H  
-ATOM    551 HG22 ILE A 570     -21.626   0.367  -4.922  1.00  0.00           H  
-ATOM    552 HG23 ILE A 570     -22.075   0.148  -3.232  1.00  0.00           H  
-ATOM    553 HD11 ILE A 570     -20.524   1.921  -1.653  1.00  0.00           H  
-ATOM    554 HD12 ILE A 570     -21.577   2.266  -3.024  1.00  0.00           H  
-ATOM    555 HD13 ILE A 570     -20.248   3.357  -2.636  1.00  0.00           H  
-ATOM    556  N   ALA A 571     -19.576  -2.997  -2.765  1.00  0.00           N  
-ATOM    557  CA  ALA A 571     -20.056  -4.369  -2.816  1.00  0.00           C  
-ATOM    558  C   ALA A 571     -19.829  -5.087  -1.491  1.00  0.00           C  
-ATOM    559  O   ALA A 571     -20.413  -6.142  -1.245  1.00  0.00           O  
-ATOM    560  CB  ALA A 571     -19.378  -5.124  -3.948  1.00  0.00           C  
-ATOM    561  H   ALA A 571     -18.696  -2.785  -3.141  1.00  0.00           H  
-ATOM    562  HA  ALA A 571     -21.117  -4.340  -3.019  1.00  0.00           H  
-ATOM    563  HB1 ALA A 571     -18.324  -5.227  -3.733  1.00  0.00           H  
-ATOM    564  HB2 ALA A 571     -19.505  -4.579  -4.872  1.00  0.00           H  
-ATOM    565  HB3 ALA A 571     -19.822  -6.103  -4.045  1.00  0.00           H  
-ATOM    566  N   THR A 572     -18.980  -4.516  -0.637  1.00  0.00           N  
-ATOM    567  CA  THR A 572     -18.694  -5.132   0.651  1.00  0.00           C  
-ATOM    568  C   THR A 572     -19.382  -4.419   1.819  1.00  0.00           C  
-ATOM    569  O   THR A 572     -19.180  -4.791   2.973  1.00  0.00           O  
-ATOM    570  CB  THR A 572     -17.182  -5.187   0.919  1.00  0.00           C  
-ATOM    571  OG1 THR A 572     -16.605  -3.885   0.774  1.00  0.00           O  
-ATOM    572  CG2 THR A 572     -16.510  -6.165  -0.031  1.00  0.00           C  
-ATOM    573  H   THR A 572     -18.531  -3.676  -0.880  1.00  0.00           H  
-ATOM    574  HA  THR A 572     -19.057  -6.147   0.613  1.00  0.00           H  
-ATOM    575  HB  THR A 572     -17.025  -5.528   1.929  1.00  0.00           H  
-ATOM    576  HG1 THR A 572     -17.218  -3.224   1.104  1.00  0.00           H  
-ATOM    577 HG21 THR A 572     -15.469  -6.266   0.231  1.00  0.00           H  
-ATOM    578 HG22 THR A 572     -16.592  -5.798  -1.044  1.00  0.00           H  
-ATOM    579 HG23 THR A 572     -16.994  -7.129   0.040  1.00  0.00           H  
-ATOM    580  N   GLY A 573     -20.211  -3.413   1.524  1.00  0.00           N  
-ATOM    581  CA  GLY A 573     -20.918  -2.682   2.570  1.00  0.00           C  
-ATOM    582  C   GLY A 573     -20.057  -2.243   3.741  1.00  0.00           C  
-ATOM    583  O   GLY A 573     -20.545  -2.166   4.870  1.00  0.00           O  
-ATOM    584  H   GLY A 573     -20.401  -3.171   0.594  1.00  0.00           H  
-ATOM    585  HA2 GLY A 573     -21.357  -1.798   2.129  1.00  0.00           H  
-ATOM    586  HA3 GLY A 573     -21.715  -3.308   2.945  1.00  0.00           H  
-ATOM    587  N   GLY A 574     -18.786  -1.945   3.492  1.00  0.00           N  
-ATOM    588  CA  GLY A 574     -17.916  -1.501   4.571  1.00  0.00           C  
-ATOM    589  C   GLY A 574     -16.888  -2.540   4.976  1.00  0.00           C  
-ATOM    590  O   GLY A 574     -15.904  -2.217   5.638  1.00  0.00           O  
-ATOM    591  H   GLY A 574     -18.434  -2.048   2.582  1.00  0.00           H  
-ATOM    592  HA2 GLY A 574     -17.400  -0.607   4.253  1.00  0.00           H  
-ATOM    593  HA3 GLY A 574     -18.526  -1.262   5.430  1.00  0.00           H  
-ATOM    594  N   ASP A 575     -17.122  -3.789   4.589  1.00  0.00           N  
-ATOM    595  CA  ASP A 575     -16.204  -4.873   4.895  1.00  0.00           C  
-ATOM    596  C   ASP A 575     -14.999  -4.754   3.979  1.00  0.00           C  
-ATOM    597  O   ASP A 575     -14.877  -5.465   2.981  1.00  0.00           O  
-ATOM    598  CB  ASP A 575     -16.897  -6.221   4.714  1.00  0.00           C  
-ATOM    599  CG  ASP A 575     -17.782  -6.581   5.892  1.00  0.00           C  
-ATOM    600  OD1 ASP A 575     -18.969  -6.190   5.886  1.00  0.00           O  
-ATOM    601  OD2 ASP A 575     -17.288  -7.255   6.820  1.00  0.00           O  
-ATOM    602  H   ASP A 575     -17.921  -3.982   4.077  1.00  0.00           H  
-ATOM    603  HA  ASP A 575     -15.882  -4.766   5.921  1.00  0.00           H  
-ATOM    604  HB2 ASP A 575     -17.513  -6.187   3.828  1.00  0.00           H  
-ATOM    605  HB3 ASP A 575     -16.153  -6.985   4.597  1.00  0.00           H  
-ATOM    606  N   ILE A 576     -14.114  -3.842   4.341  1.00  0.00           N  
-ATOM    607  CA  ILE A 576     -12.933  -3.544   3.557  1.00  0.00           C  
-ATOM    608  C   ILE A 576     -11.978  -4.705   3.560  1.00  0.00           C  
-ATOM    609  O   ILE A 576     -11.337  -4.981   2.560  1.00  0.00           O  
-ATOM    610  CB  ILE A 576     -12.218  -2.293   4.087  1.00  0.00           C  
-ATOM    611  CG1 ILE A 576     -13.223  -1.384   4.815  1.00  0.00           C  
-ATOM    612  CG2 ILE A 576     -11.534  -1.565   2.938  1.00  0.00           C  
-ATOM    613  CD1 ILE A 576     -12.776   0.055   4.950  1.00  0.00           C  
-ATOM    614  H   ILE A 576     -14.256  -3.356   5.169  1.00  0.00           H  
-ATOM    615  HA  ILE A 576     -13.247  -3.350   2.541  1.00  0.00           H  
-ATOM    616  HB  ILE A 576     -11.461  -2.611   4.785  1.00  0.00           H  
-ATOM    617 HG12 ILE A 576     -14.168  -1.398   4.287  1.00  0.00           H  
-ATOM    618 HG13 ILE A 576     -13.374  -1.769   5.815  1.00  0.00           H  
-ATOM    619 HG21 ILE A 576     -10.890  -2.253   2.409  1.00  0.00           H  
-ATOM    620 HG22 ILE A 576     -10.944  -0.752   3.326  1.00  0.00           H  
-ATOM    621 HG23 ILE A 576     -12.280  -1.179   2.261  1.00  0.00           H  
-ATOM    622 HD11 ILE A 576     -11.817   0.089   5.442  1.00  0.00           H  
-ATOM    623 HD12 ILE A 576     -13.500   0.601   5.535  1.00  0.00           H  
-ATOM    624 HD13 ILE A 576     -12.696   0.501   3.970  1.00  0.00           H  
-ATOM    625  N   ASN A 577     -11.949  -5.405   4.681  1.00  0.00           N  
-ATOM    626  CA  ASN A 577     -11.097  -6.557   4.872  1.00  0.00           C  
-ATOM    627  C   ASN A 577     -11.556  -7.663   3.936  1.00  0.00           C  
-ATOM    628  O   ASN A 577     -10.760  -8.301   3.243  1.00  0.00           O  
-ATOM    629  CB  ASN A 577     -11.215  -6.998   6.323  1.00  0.00           C  
-ATOM    630  CG  ASN A 577     -10.215  -6.304   7.221  1.00  0.00           C  
-ATOM    631  OD1 ASN A 577      -9.673  -6.904   8.150  1.00  0.00           O  
-ATOM    632  ND2 ASN A 577      -9.976  -5.027   6.953  1.00  0.00           N  
-ATOM    633  H   ASN A 577     -12.591  -5.201   5.370  1.00  0.00           H  
-ATOM    634  HA  ASN A 577     -10.079  -6.283   4.652  1.00  0.00           H  
-ATOM    635  HB2 ASN A 577     -12.208  -6.759   6.680  1.00  0.00           H  
-ATOM    636  HB3 ASN A 577     -11.071  -8.050   6.384  1.00  0.00           H  
-ATOM    637 HD21 ASN A 577     -10.453  -4.615   6.203  1.00  0.00           H  
-ATOM    638 HD22 ASN A 577      -9.337  -4.548   7.516  1.00  0.00           H  
-ATOM    639  N   ALA A 578     -12.866  -7.861   3.938  1.00  0.00           N  
-ATOM    640  CA  ALA A 578     -13.488  -8.845   3.074  1.00  0.00           C  
-ATOM    641  C   ALA A 578     -13.224  -8.431   1.635  1.00  0.00           C  
-ATOM    642  O   ALA A 578     -13.085  -9.262   0.734  1.00  0.00           O  
-ATOM    643  CB  ALA A 578     -14.982  -8.940   3.347  1.00  0.00           C  
-ATOM    644  H   ALA A 578     -13.395  -7.300   4.541  1.00  0.00           H  
-ATOM    645  HA  ALA A 578     -13.033  -9.807   3.261  1.00  0.00           H  
-ATOM    646  HB1 ALA A 578     -15.142  -9.218   4.379  1.00  0.00           H  
-ATOM    647  HB2 ALA A 578     -15.420  -9.687   2.701  1.00  0.00           H  
-ATOM    648  HB3 ALA A 578     -15.445  -7.984   3.157  1.00  0.00           H  
-ATOM    649  N   ALA A 579     -13.131  -7.115   1.450  1.00  0.00           N  
-ATOM    650  CA  ALA A 579     -12.867  -6.529   0.150  1.00  0.00           C  
-ATOM    651  C   ALA A 579     -11.411  -6.718  -0.256  1.00  0.00           C  
-ATOM    652  O   ALA A 579     -11.122  -6.881  -1.429  1.00  0.00           O  
-ATOM    653  CB  ALA A 579     -13.221  -5.049   0.156  1.00  0.00           C  
-ATOM    654  H   ALA A 579     -13.257  -6.518   2.217  1.00  0.00           H  
-ATOM    655  HA  ALA A 579     -13.499  -7.021  -0.574  1.00  0.00           H  
-ATOM    656  HB1 ALA A 579     -13.158  -4.659  -0.850  1.00  0.00           H  
-ATOM    657  HB2 ALA A 579     -12.532  -4.516   0.793  1.00  0.00           H  
-ATOM    658  HB3 ALA A 579     -14.227  -4.921   0.529  1.00  0.00           H  
-ATOM    659  N   ILE A 580     -10.496  -6.695   0.713  1.00  0.00           N  
-ATOM    660  CA  ILE A 580      -9.086  -6.858   0.429  1.00  0.00           C  
-ATOM    661  C   ILE A 580      -8.820  -8.232  -0.171  1.00  0.00           C  
-ATOM    662  O   ILE A 580      -8.076  -8.376  -1.140  1.00  0.00           O  
-ATOM    663  CB  ILE A 580      -8.266  -6.729   1.721  1.00  0.00           C  
-ATOM    664  CG1 ILE A 580      -8.746  -5.541   2.569  1.00  0.00           C  
-ATOM    665  CG2 ILE A 580      -6.781  -6.622   1.400  1.00  0.00           C  
-ATOM    666  CD1 ILE A 580      -7.785  -5.124   3.662  1.00  0.00           C  
-ATOM    667  H   ILE A 580     -10.769  -6.575   1.644  1.00  0.00           H  
-ATOM    668  HA  ILE A 580      -8.776  -6.091  -0.262  1.00  0.00           H  
-ATOM    669  HB  ILE A 580      -8.426  -7.629   2.278  1.00  0.00           H  
-ATOM    670 HG12 ILE A 580      -8.907  -4.693   1.927  1.00  0.00           H  
-ATOM    671 HG13 ILE A 580      -9.686  -5.804   3.049  1.00  0.00           H  
-ATOM    672 HG21 ILE A 580      -6.586  -5.685   0.899  1.00  0.00           H  
-ATOM    673 HG22 ILE A 580      -6.492  -7.440   0.755  1.00  0.00           H  
-ATOM    674 HG23 ILE A 580      -6.210  -6.667   2.315  1.00  0.00           H  
-ATOM    675 HD11 ILE A 580      -6.956  -4.584   3.224  1.00  0.00           H  
-ATOM    676 HD12 ILE A 580      -7.416  -6.005   4.173  1.00  0.00           H  
-ATOM    677 HD13 ILE A 580      -8.300  -4.484   4.369  1.00  0.00           H  
-ATOM    678  N   GLU A 581      -9.447  -9.233   0.430  1.00  0.00           N  
-ATOM    679  CA  GLU A 581      -9.294 -10.623   0.011  1.00  0.00           C  
-ATOM    680  C   GLU A 581      -9.932 -10.875  -1.348  1.00  0.00           C  
-ATOM    681  O   GLU A 581      -9.392 -11.612  -2.173  1.00  0.00           O  
-ATOM    682  CB  GLU A 581      -9.913 -11.558   1.051  1.00  0.00           C  
-ATOM    683  CG  GLU A 581      -9.265 -11.461   2.422  1.00  0.00           C  
-ATOM    684  CD  GLU A 581      -9.979 -12.301   3.461  1.00  0.00           C  
-ATOM    685  OE1 GLU A 581      -9.691 -13.513   3.548  1.00  0.00           O  
-ATOM    686  OE2 GLU A 581     -10.830 -11.747   4.189  1.00  0.00           O  
-ATOM    687  H   GLU A 581     -10.066  -9.023   1.156  1.00  0.00           H  
-ATOM    688  HA  GLU A 581      -8.237 -10.831  -0.058  1.00  0.00           H  
-ATOM    689  HB2 GLU A 581     -10.962 -11.319   1.155  1.00  0.00           H  
-ATOM    690  HB3 GLU A 581      -9.818 -12.576   0.703  1.00  0.00           H  
-ATOM    691  HG2 GLU A 581      -8.243 -11.802   2.347  1.00  0.00           H  
-ATOM    692  HG3 GLU A 581      -9.277 -10.430   2.740  1.00  0.00           H  
-ATOM    693  N   ARG A 582     -11.086 -10.257  -1.572  1.00  0.00           N  
-ATOM    694  CA  ARG A 582     -11.810 -10.435  -2.821  1.00  0.00           C  
-ATOM    695  C   ARG A 582     -11.184  -9.619  -3.949  1.00  0.00           C  
-ATOM    696  O   ARG A 582     -11.073 -10.084  -5.083  1.00  0.00           O  
-ATOM    697  CB  ARG A 582     -13.279 -10.047  -2.646  1.00  0.00           C  
-ATOM    698  CG  ARG A 582     -13.920  -9.527  -3.919  1.00  0.00           C  
-ATOM    699  CD  ARG A 582     -15.416  -9.782  -3.942  1.00  0.00           C  
-ATOM    700  NE  ARG A 582     -16.045  -9.231  -5.139  1.00  0.00           N  
-ATOM    701  CZ  ARG A 582     -16.695  -9.966  -6.038  1.00  0.00           C  
-ATOM    702  NH1 ARG A 582     -16.802 -11.278  -5.877  1.00  0.00           N  
-ATOM    703  NH2 ARG A 582     -17.238  -9.386  -7.099  1.00  0.00           N  
-ATOM    704  H   ARG A 582     -11.403  -9.593  -0.921  1.00  0.00           H  
-ATOM    705  HA  ARG A 582     -11.758 -11.481  -3.084  1.00  0.00           H  
-ATOM    706  HB2 ARG A 582     -13.833 -10.914  -2.316  1.00  0.00           H  
-ATOM    707  HB3 ARG A 582     -13.348  -9.276  -1.892  1.00  0.00           H  
-ATOM    708  HG2 ARG A 582     -13.745  -8.462  -3.983  1.00  0.00           H  
-ATOM    709  HG3 ARG A 582     -13.459 -10.020  -4.766  1.00  0.00           H  
-ATOM    710  HD2 ARG A 582     -15.588 -10.849  -3.915  1.00  0.00           H  
-ATOM    711  HD3 ARG A 582     -15.861  -9.324  -3.070  1.00  0.00           H  
-ATOM    712  HE  ARG A 582     -15.981  -8.263  -5.280  1.00  0.00           H  
-ATOM    713 HH11 ARG A 582     -16.394 -11.719  -5.077  1.00  0.00           H  
-ATOM    714 HH12 ARG A 582     -17.290 -11.827  -6.555  1.00  0.00           H  
-ATOM    715 HH21 ARG A 582     -17.160  -8.396  -7.224  1.00  0.00           H  
-ATOM    716 HH22 ARG A 582     -17.724  -9.939  -7.776  1.00  0.00           H  
-ATOM    717  N   LEU A 583     -10.780  -8.399  -3.620  1.00  0.00           N  
-ATOM    718  CA  LEU A 583     -10.210  -7.481  -4.558  1.00  0.00           C  
-ATOM    719  C   LEU A 583      -8.911  -8.012  -5.143  1.00  0.00           C  
-ATOM    720  O   LEU A 583      -8.688  -7.939  -6.352  1.00  0.00           O  
-ATOM    721  CB  LEU A 583      -9.983  -6.174  -3.816  1.00  0.00           C  
-ATOM    722  CG  LEU A 583      -8.986  -5.248  -4.454  1.00  0.00           C  
-ATOM    723  CD1 LEU A 583      -9.345  -4.946  -5.904  1.00  0.00           C  
-ATOM    724  CD2 LEU A 583      -8.855  -3.966  -3.655  1.00  0.00           C  
-ATOM    725  H   LEU A 583     -10.851  -8.095  -2.703  1.00  0.00           H  
-ATOM    726  HA  LEU A 583     -10.922  -7.319  -5.353  1.00  0.00           H  
-ATOM    727  HB2 LEU A 583     -10.926  -5.665  -3.711  1.00  0.00           H  
-ATOM    728  HB3 LEU A 583      -9.618  -6.416  -2.827  1.00  0.00           H  
-ATOM    729  HG  LEU A 583      -8.046  -5.758  -4.428  1.00  0.00           H  
-ATOM    730 HD11 LEU A 583      -8.677  -4.190  -6.289  1.00  0.00           H  
-ATOM    731 HD12 LEU A 583     -10.363  -4.590  -5.957  1.00  0.00           H  
-ATOM    732 HD13 LEU A 583      -9.249  -5.845  -6.494  1.00  0.00           H  
-ATOM    733 HD21 LEU A 583      -8.122  -3.325  -4.118  1.00  0.00           H  
-ATOM    734 HD22 LEU A 583      -8.544  -4.199  -2.647  1.00  0.00           H  
-ATOM    735 HD23 LEU A 583      -9.808  -3.460  -3.629  1.00  0.00           H  
-ATOM    736  N   LEU A 584      -8.056  -8.554  -4.288  1.00  0.00           N  
-ATOM    737  CA  LEU A 584      -6.807  -9.089  -4.699  1.00  0.00           C  
-ATOM    738  C   LEU A 584      -7.051 -10.356  -5.517  1.00  0.00           C  
-ATOM    739  O   LEU A 584      -6.194 -10.805  -6.279  1.00  0.00           O  
-ATOM    740  CB  LEU A 584      -6.032  -9.346  -3.416  1.00  0.00           C  
-ATOM    741  CG  LEU A 584      -5.960 -10.799  -2.957  1.00  0.00           C  
-ATOM    742  CD1 LEU A 584      -4.844 -11.550  -3.669  1.00  0.00           C  
-ATOM    743  CD2 LEU A 584      -5.772 -10.868  -1.450  1.00  0.00           C  
-ATOM    744  H   LEU A 584      -8.273  -8.637  -3.343  1.00  0.00           H  
-ATOM    745  HA  LEU A 584      -6.291  -8.355  -5.299  1.00  0.00           H  
-ATOM    746  HB2 LEU A 584      -5.056  -8.957  -3.532  1.00  0.00           H  
-ATOM    747  HB3 LEU A 584      -6.514  -8.783  -2.632  1.00  0.00           H  
-ATOM    748  HG  LEU A 584      -6.901 -11.274  -3.197  1.00  0.00           H  
-ATOM    749 HD11 LEU A 584      -4.644 -12.476  -3.149  1.00  0.00           H  
-ATOM    750 HD12 LEU A 584      -3.952 -10.944  -3.683  1.00  0.00           H  
-ATOM    751 HD13 LEU A 584      -5.146 -11.768  -4.683  1.00  0.00           H  
-ATOM    752 HD21 LEU A 584      -5.707 -11.902  -1.143  1.00  0.00           H  
-ATOM    753 HD22 LEU A 584      -6.613 -10.398  -0.961  1.00  0.00           H  
-ATOM    754 HD23 LEU A 584      -4.864 -10.353  -1.177  1.00  0.00           H  
-ATOM    755  N   GLY A 585      -8.255 -10.908  -5.349  1.00  0.00           N  
-ATOM    756  CA  GLY A 585      -8.639 -12.106  -6.070  1.00  0.00           C  
-ATOM    757  C   GLY A 585      -8.562 -11.909  -7.571  1.00  0.00           C  
-ATOM    758  O   GLY A 585      -7.653 -12.421  -8.227  1.00  0.00           O  
-ATOM    759  H   GLY A 585      -8.874 -10.482  -4.714  1.00  0.00           H  
-ATOM    760  HA2 GLY A 585      -7.981 -12.915  -5.786  1.00  0.00           H  
-ATOM    761  HA3 GLY A 585      -9.651 -12.367  -5.803  1.00  0.00           H  
-ATOM    762  N   SER A 586      -9.519 -11.164  -8.114  1.00  0.00           N  
-ATOM    763  CA  SER A 586      -9.559 -10.882  -9.545  1.00  0.00           C  
-ATOM    764  C   SER A 586     -10.152  -9.501  -9.801  1.00  0.00           C  
-ATOM    765  O   SER A 586      -9.489  -8.620 -10.349  1.00  0.00           O  
-ATOM    766  CB  SER A 586     -10.379 -11.945 -10.277  1.00  0.00           C  
-ATOM    767  OG  SER A 586      -9.819 -13.234 -10.102  1.00  0.00           O  
-ATOM    768  H   SER A 586     -10.223 -10.800  -7.538  1.00  0.00           H  
-ATOM    769  HA  SER A 586      -8.543 -10.901  -9.915  1.00  0.00           H  
-ATOM    770  HB2 SER A 586     -11.387 -11.948  -9.892  1.00  0.00           H  
-ATOM    771  HB3 SER A 586     -10.399 -11.716 -11.333  1.00  0.00           H  
-ATOM    772  HG  SER A 586     -10.407 -13.894 -10.477  1.00  0.00           H  
-ATOM    773  N   SER A 587     -11.404  -9.321  -9.395  1.00  0.00           N  
-ATOM    774  CA  SER A 587     -12.096  -8.049  -9.575  1.00  0.00           C  
-ATOM    775  C   SER A 587     -11.543  -6.988  -8.627  1.00  0.00           C  
-ATOM    776  O   SER A 587     -12.056  -6.883  -7.493  1.00  0.00           O  
-ATOM    777  CB  SER A 587     -13.599  -8.225  -9.344  1.00  0.00           C  
-ATOM    778  OG  SER A 587     -14.289  -7.001  -9.519  1.00  0.00           O  
-ATOM    779  OXT SER A 587     -10.602  -6.271  -9.026  1.00  0.00           O  
-ATOM    780  H   SER A 587     -11.877 -10.065  -8.966  1.00  0.00           H  
-ATOM    781  HA  SER A 587     -11.934  -7.726 -10.591  1.00  0.00           H  
-ATOM    782  HB2 SER A 587     -13.987  -8.948 -10.045  1.00  0.00           H  
-ATOM    783  HB3 SER A 587     -13.765  -8.577  -8.336  1.00  0.00           H  
-ATOM    784  HG  SER A 587     -13.743  -6.277  -9.205  1.00  0.00           H  

Deleted: SwiftApps/modFTDock/input/2of5-8.pdb
===================================================================
--- SwiftApps/modFTDock/input/2of5-8.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/2of5-8.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,786 +0,0 @@
-ATOM      1  N   MET H 777     -52.261  80.895  19.312  1.00131.83           N  
-ATOM      2  CA  MET H 777     -52.920  80.913  20.659  1.00135.10           C  
-ATOM      3  C   MET H 777     -54.358  81.483  20.639  1.00134.56           C  
-ATOM      4  O   MET H 777     -54.800  82.150  21.587  1.00133.41           O  
-ATOM      5  CB  MET H 777     -52.065  81.715  21.658  1.00136.66           C  
-ATOM      6  CG  MET H 777     -52.660  81.765  23.081  1.00139.18           C  
-ATOM      7  SD  MET H 777     -51.817  82.831  24.290  1.00141.95           S  
-ATOM      8  CE  MET H 777     -51.848  81.753  25.776  1.00140.57           C  
-ATOM      9  N   ASN H 778     -55.090  81.200  19.565  1.00133.88           N  
-ATOM     10  CA  ASN H 778     -56.456  81.694  19.421  1.00132.83           C  
-ATOM     11  C   ASN H 778     -56.825  81.570  17.942  1.00131.85           C  
-ATOM     12  O   ASN H 778     -57.175  82.557  17.293  1.00131.48           O  
-ATOM     13  CB  ASN H 778     -56.526  83.169  19.868  1.00133.37           C  
-ATOM     14  CG  ASN H 778     -57.952  83.661  20.087  1.00134.14           C  
-ATOM     15  OD1 ASN H 778     -58.682  83.137  20.932  1.00134.52           O  
-ATOM     16  ND2 ASN H 778     -58.350  84.681  19.328  1.00132.97           N  
-ATOM     17  N   LEU H 779     -56.739  80.354  17.408  1.00130.23           N  
-ATOM     18  CA  LEU H 779     -57.052  80.132  16.002  1.00129.23           C  
-ATOM     19  C   LEU H 779     -58.228  79.207  15.776  1.00129.32           C  
-ATOM     20  O   LEU H 779     -58.268  78.103  16.321  1.00129.36           O  
-ATOM     21  CB  LEU H 779     -55.843  79.551  15.272  1.00128.64           C  
-ATOM     22  CG  LEU H 779     -54.704  80.479  14.861  1.00127.68           C  
-ATOM     23  CD1 LEU H 779     -55.224  81.477  13.851  1.00127.52           C  
-ATOM     24  CD2 LEU H 779     -54.126  81.173  16.083  1.00128.68           C  
-ATOM     25  N   GLY H 780     -59.178  79.660  14.961  1.00129.14           N  
-ATOM     26  CA  GLY H 780     -60.341  78.848  14.642  1.00129.13           C  
-ATOM     27  C   GLY H 780     -61.506  78.846  15.621  1.00128.86           C  
-ATOM     28  O   GLY H 780     -61.349  79.114  16.814  1.00127.71           O  
-ATOM     29  N   ASP H 781     -62.689  78.534  15.098  1.00128.99           N  
-ATOM     30  CA  ASP H 781     -63.909  78.476  15.897  1.00128.66           C  
-ATOM     31  C   ASP H 781     -64.140  77.037  16.353  1.00127.30           C  
-ATOM     32  O   ASP H 781     -63.338  76.157  16.046  1.00127.55           O  
-ATOM     33  CB  ASP H 781     -65.099  78.991  15.071  1.00130.06           C  
-ATOM     34  CG  ASP H 781     -65.256  78.267  13.736  1.00131.10           C  
-ATOM     35  OD1 ASP H 781     -64.255  77.701  13.233  1.00129.58           O  
-ATOM     36  OD2 ASP H 781     -66.383  78.283  13.184  1.00131.61           O  
-ATOM     37  N   ALA H 782     -65.221  76.795  17.087  1.00125.48           N  
-ATOM     38  CA  ALA H 782     -65.505  75.449  17.579  1.00124.38           C  
-ATOM     39  C   ALA H 782     -66.068  74.528  16.495  1.00123.90           C  
-ATOM     40  O   ALA H 782     -66.009  73.299  16.611  1.00122.48           O  
-ATOM     41  CB  ALA H 782     -66.460  75.519  18.766  1.00123.43           C  
-ATOM     42  N   GLU H 783     -66.613  75.122  15.440  1.00124.30           N  
-ATOM     43  CA  GLU H 783     -67.174  74.343  14.342  1.00125.34           C  
-ATOM     44  C   GLU H 783     -66.039  73.572  13.679  1.00123.89           C  
-ATOM     45  O   GLU H 783     -66.127  72.361  13.480  1.00123.58           O  
-ATOM     46  CB  GLU H 783     -67.846  75.273  13.318  1.00128.20           C  
-ATOM     47  CG  GLU H 783     -68.534  74.564  12.138  1.00133.06           C  
-ATOM     48  CD  GLU H 783     -69.903  73.961  12.487  1.00136.15           C  
-ATOM     49  OE1 GLU H 783     -70.510  73.322  11.592  1.00137.12           O  
-ATOM     50  OE2 GLU H 783     -70.374  74.126  13.641  1.00136.82           O  
-ATOM     51  N   THR H 784     -64.969  74.296  13.365  1.00122.34           N  
-ATOM     52  CA  THR H 784     -63.779  73.746  12.714  1.00121.09           C  
-ATOM     53  C   THR H 784     -62.858  72.996  13.674  1.00118.97           C  
-ATOM     54  O   THR H 784     -62.474  71.846  13.436  1.00118.04           O  
-ATOM     55  CB  THR H 784     -62.949  74.871  12.090  1.00121.89           C  
-ATOM     56  OG1 THR H 784     -63.825  75.774  11.403  1.00123.02           O  
-ATOM     57  CG2 THR H 784     -61.912  74.299  11.120  1.00121.61           C  
-ATOM     58  N   GLY H 785     -62.502  73.684  14.752  1.00116.50           N  
-ATOM     59  CA  GLY H 785     -61.619  73.135  15.758  1.00112.91           C  
-ATOM     60  C   GLY H 785     -60.637  74.238  16.063  1.00110.68           C  
-ATOM     61  O   GLY H 785     -60.556  75.203  15.305  1.00111.14           O  
-ATOM     62  N   PHE H 786     -59.900  74.119  17.159  1.00108.47           N  
-ATOM     63  CA  PHE H 786     -58.925  75.143  17.508  1.00107.06           C  
-ATOM     64  C   PHE H 786     -57.489  74.697  17.255  1.00105.17           C  
-ATOM     65  O   PHE H 786     -57.244  73.670  16.627  1.00105.90           O  
-ATOM     66  CB  PHE H 786     -59.101  75.560  18.971  1.00108.48           C  
-ATOM     67  CG  PHE H 786     -60.256  76.496  19.193  1.00110.36           C  
-ATOM     68  CD1 PHE H 786     -61.549  76.138  18.814  1.00111.73           C  
-ATOM     69  CD2 PHE H 786     -60.048  77.757  19.740  1.00110.96           C  
-ATOM     70  CE1 PHE H 786     -62.617  77.027  18.973  1.00111.52           C  
-ATOM     71  CE2 PHE H 786     -61.110  78.654  19.902  1.00111.64           C  
-ATOM     72  CZ  PHE H 786     -62.397  78.286  19.516  1.00111.60           C  
-ATOM     73  N   LEU H 787     -56.539  75.492  17.724  1.00102.06           N  
-ATOM     74  CA  LEU H 787     -55.131  75.177  17.562  1.00 99.03           C  
-ATOM     75  C   LEU H 787     -54.365  75.839  18.674  1.00 98.46           C  
-ATOM     76  O   LEU H 787     -54.168  77.050  18.650  1.00100.07           O  
-ATOM     77  CB  LEU H 787     -54.612  75.695  16.229  1.00 96.84           C  
-ATOM     78  CG  LEU H 787     -54.563  74.682  15.097  1.00 95.82           C  
-ATOM     79  CD1 LEU H 787     -53.886  75.306  13.899  1.00 94.30           C  
-ATOM     80  CD2 LEU H 787     -53.793  73.453  15.553  1.00 95.79           C  
-ATOM     81  N   THR H 788     -53.932  75.064  19.657  1.00 96.64           N  
-ATOM     82  CA  THR H 788     -53.198  75.661  20.754  1.00 96.69           C  
-ATOM     83  C   THR H 788     -51.821  76.090  20.315  1.00 96.28           C  
-ATOM     84  O   THR H 788     -51.464  76.009  19.144  1.00 94.71           O  
-ATOM     85  CB  THR H 788     -52.991  74.693  21.912  1.00 97.03           C  
-ATOM     86  OG1 THR H 788     -52.365  73.502  21.420  1.00 96.23           O  
-ATOM     87  CG2 THR H 788     -54.311  74.375  22.587  1.00 97.96           C  
-ATOM     88  N   GLN H 789     -51.045  76.548  21.285  1.00 96.69           N  
-ATOM     89  CA  GLN H 789     -49.688  76.948  21.017  1.00 96.77           C  
-ATOM     90  C   GLN H 789     -48.913  75.644  20.870  1.00 97.25           C  
-ATOM     91  O   GLN H 789     -48.197  75.458  19.893  1.00 98.07           O  
-ATOM     92  CB  GLN H 789     -49.148  77.802  22.168  1.00 95.42           C  
-ATOM     93  CG  GLN H 789     -50.027  79.009  22.450  1.00 94.61           C  
-ATOM     94  CD  GLN H 789     -49.267  80.195  22.988  1.00 93.17           C  
-ATOM     95  OE1 GLN H 789     -48.665  80.133  24.061  1.00 90.97           O  
-ATOM     96  NE2 GLN H 789     -49.296  81.296  22.241  1.00 93.27           N  
-ATOM     97  N   SER H 790     -49.076  74.727  21.822  1.00 97.09           N  
-ATOM     98  CA  SER H 790     -48.389  73.444  21.736  1.00 96.83           C  
-ATOM     99  C   SER H 790     -48.577  72.896  20.322  1.00 97.18           C  
-ATOM    100  O   SER H 790     -47.707  72.213  19.782  1.00 97.42           O  
-ATOM    101  CB  SER H 790     -48.967  72.459  22.755  1.00 97.19           C  
-ATOM    102  OG  SER H 790     -48.459  72.705  24.054  1.00 98.40           O  
-ATOM    103  N   ASN H 791     -49.724  73.213  19.728  1.00 96.91           N  
-ATOM    104  CA  ASN H 791     -50.053  72.771  18.374  1.00 96.48           C  
-ATOM    105  C   ASN H 791     -49.183  73.472  17.326  1.00 93.99           C  
-ATOM    106  O   ASN H 791     -48.316  72.864  16.699  1.00 94.48           O  
-ATOM    107  CB  ASN H 791     -51.538  73.050  18.071  1.00 99.14           C  
-ATOM    108  CG  ASN H 791     -52.449  71.867  18.396  1.00100.76           C  
-ATOM    109  OD1 ASN H 791     -53.651  71.919  18.139  1.00101.97           O  
-ATOM    110  ND2 ASN H 791     -51.880  70.800  18.954  1.00101.53           N  
-ATOM    111  N   LEU H 792     -49.428  74.758  17.135  1.00 90.20           N  
-ATOM    112  CA  LEU H 792     -48.676  75.524  16.166  1.00 86.77           C  
-ATOM    113  C   LEU H 792     -47.186  75.436  16.478  1.00 85.25           C  
-ATOM    114  O   LEU H 792     -46.359  75.479  15.584  1.00 85.04           O  
-ATOM    115  CB  LEU H 792     -49.138  76.980  16.204  1.00 85.49           C  
-ATOM    116  CG  LEU H 792     -48.864  77.868  14.993  1.00 84.84           C  
-ATOM    117  CD1 LEU H 792     -49.626  77.366  13.773  1.00 82.87           C  
-ATOM    118  CD2 LEU H 792     -49.279  79.281  15.333  1.00 84.85           C  
-ATOM    119  N   LEU H 793     -46.847  75.302  17.753  1.00 84.45           N  
-ATOM    120  CA  LEU H 793     -45.451  75.228  18.172  1.00 82.97           C  
-ATOM    121  C   LEU H 793     -44.779  74.045  17.504  1.00 81.29           C  
-ATOM    122  O   LEU H 793     -43.593  74.093  17.190  1.00 80.07           O  
-ATOM    123  CB  LEU H 793     -45.362  75.083  19.699  1.00 85.25           C  
-ATOM    124  CG  LEU H 793     -44.133  75.578  20.483  1.00 86.88           C  
-ATOM    125  CD1 LEU H 793     -42.847  75.104  19.806  1.00 88.23           C  
-ATOM    126  CD2 LEU H 793     -44.157  77.092  20.567  1.00 86.61           C  
-ATOM    127  N   SER H 794     -45.554  72.986  17.287  1.00 81.22           N  
-ATOM    128  CA  SER H 794     -45.064  71.760  16.654  1.00 81.16           C  
-ATOM    129  C   SER H 794     -45.071  71.876  15.140  1.00 80.75           C  
-ATOM    130  O   SER H 794     -44.116  71.473  14.480  1.00 81.34           O  
-ATOM    131  CB  SER H 794     -45.925  70.585  17.069  1.00 81.60           C  
-ATOM    132  OG  SER H 794     -46.059  70.544  18.479  1.00 84.94           O  
-ATOM    133  N   VAL H 795     -46.159  72.412  14.590  1.00 79.88           N  
-ATOM    134  CA  VAL H 795     -46.258  72.620  13.152  1.00 78.50           C  
-ATOM    135  C   VAL H 795     -44.954  73.294  12.753  1.00 80.55           C  
-ATOM    136  O   VAL H 795     -44.455  73.097  11.656  1.00 82.64           O  
-ATOM    137  CB  VAL H 795     -47.401  73.570  12.814  1.00 75.53           C  
-ATOM    138  CG1 VAL H 795     -47.648  73.594  11.324  1.00 72.27           C  
-ATOM    139  CG2 VAL H 795     -48.617  73.165  13.572  1.00 74.35           C  
-ATOM    140  N   ALA H 796     -44.407  74.086  13.671  1.00 81.76           N  
-ATOM    141  CA  ALA H 796     -43.160  74.807  13.453  1.00 83.36           C  
-ATOM    142  C   ALA H 796     -41.971  73.864  13.545  1.00 84.81           C  
-ATOM    143  O   ALA H 796     -41.088  73.875  12.686  1.00 84.50           O  
-ATOM    144  CB  ALA H 796     -43.020  75.910  14.475  1.00 83.48           C  
-ATOM    145  N   GLY H 797     -41.944  73.054  14.596  1.00 86.48           N  
-ATOM    146  CA  GLY H 797     -40.855  72.106  14.753  1.00 89.21           C  
-ATOM    147  C   GLY H 797     -40.807  71.101  13.606  1.00 90.38           C  
-ATOM    148  O   GLY H 797     -39.765  70.489  13.347  1.00 89.91           O  
-ATOM    149  N   ARG H 798     -41.935  70.940  12.912  1.00 91.15           N  
-ATOM    150  CA  ARG H 798     -42.033  70.004  11.792  1.00 91.99           C  
-ATOM    151  C   ARG H 798     -41.548  70.631  10.453  1.00 91.68           C  
-ATOM    152  O   ARG H 798     -41.354  69.935   9.453  1.00 90.67           O  
-ATOM    153  CB  ARG H 798     -43.487  69.494  11.683  1.00 91.27           C  
-ATOM    154  CG  ARG H 798     -43.611  68.004  11.333  1.00 93.10           C  
-ATOM    155  CD  ARG H 798     -43.735  67.073  12.553  1.00 94.30           C  
-ATOM    156  NE  ARG H 798     -45.105  66.568  12.699  1.00 98.55           N  
-ATOM    157  CZ  ARG H 798     -45.775  65.925  11.735  1.00101.89           C  
-ATOM    158  NH1 ARG H 798     -45.190  65.704  10.559  1.00102.38           N  
-ATOM    159  NH2 ARG H 798     -47.039  65.527  11.918  1.00 99.11           N  
-ATOM    160  N   LEU H 799     -41.341  71.946  10.447  1.00 91.47           N  
-ATOM    161  CA  LEU H 799     -40.874  72.651   9.256  1.00 90.62           C  
-ATOM    162  C   LEU H 799     -39.350  72.867   9.275  1.00 91.88           C  
-ATOM    163  O   LEU H 799     -38.746  73.066  10.336  1.00 92.04           O  
-ATOM    164  CB  LEU H 799     -41.585  73.998   9.140  1.00 87.31           C  
-ATOM    165  CG  LEU H 799     -43.064  73.955   8.780  1.00 84.57           C  
-ATOM    166  CD1 LEU H 799     -43.603  75.358   8.655  1.00 84.66           C  
-ATOM    167  CD2 LEU H 799     -43.231  73.233   7.474  1.00 85.51           C  
-ATOM    168  N   GLY H 800     -38.733  72.829   8.098  1.00 91.74           N  
-ATOM    169  CA  GLY H 800     -37.296  73.012   8.021  1.00 92.82           C  
-ATOM    170  C   GLY H 800     -36.872  74.243   7.242  1.00 93.70           C  
-ATOM    171  O   GLY H 800     -37.245  75.366   7.578  1.00 95.14           O  
-ATOM    172  N   LEU H 801     -36.082  74.046   6.196  1.00 92.51           N  
-ATOM    173  CA  LEU H 801     -35.634  75.173   5.404  1.00 90.70           C  
-ATOM    174  C   LEU H 801     -36.664  75.532   4.352  1.00 89.86           C  
-ATOM    175  O   LEU H 801     -36.386  76.300   3.437  1.00 91.48           O  
-ATOM    176  CB  LEU H 801     -34.284  74.853   4.760  1.00 91.22           C  
-ATOM    177  CG  LEU H 801     -33.121  74.984   5.754  1.00 91.90           C  
-ATOM    178  CD1 LEU H 801     -31.819  74.422   5.189  1.00 91.39           C  
-ATOM    179  CD2 LEU H 801     -32.968  76.447   6.109  1.00 91.01           C  
-ATOM    180  N   ASP H 802     -37.864  74.984   4.490  1.00 87.97           N  
-ATOM    181  CA  ASP H 802     -38.923  75.250   3.530  1.00 87.12           C  
-ATOM    182  C   ASP H 802     -39.935  76.159   4.139  1.00 86.61           C  
-ATOM    183  O   ASP H 802     -40.989  76.404   3.552  1.00 86.05           O  
-ATOM    184  CB  ASP H 802     -39.622  73.968   3.110  1.00 89.37           C  
-ATOM    185  CG  ASP H 802     -40.046  73.131   4.291  1.00 91.41           C  
-ATOM    186  OD1 ASP H 802     -40.697  72.095   4.057  1.00 92.23           O  
-ATOM    187  OD2 ASP H 802     -39.723  73.502   5.445  1.00 92.76           O  
-ATOM    188  N   TRP H 803     -39.625  76.637   5.336  1.00 86.02           N  
-ATOM    189  CA  TRP H 803     -40.512  77.556   6.010  1.00 86.57           C  
-ATOM    190  C   TRP H 803     -40.933  78.692   5.060  1.00 87.91           C  
-ATOM    191  O   TRP H 803     -42.117  78.987   4.927  1.00 87.92           O  
-ATOM    192  CB  TRP H 803     -39.825  78.130   7.251  1.00 86.28           C  
-ATOM    193  CG  TRP H 803     -39.557  79.607   7.207  1.00 89.18           C  
-ATOM    194  CD1 TRP H 803     -40.400  80.607   6.763  1.00 91.62           C  
-ATOM    195  CD2 TRP H 803     -38.396  80.260   7.678  1.00 89.77           C  
-ATOM    196  NE1 TRP H 803     -39.821  81.838   6.933  1.00 91.99           N  
-ATOM    197  CE2 TRP H 803     -38.590  81.655   7.499  1.00 92.45           C  
-ATOM    198  CE3 TRP H 803     -37.211  79.812   8.244  1.00 91.28           C  
-ATOM    199  CZ2 TRP H 803     -37.636  82.594   7.872  1.00 94.58           C  
-ATOM    200  CZ3 TRP H 803     -36.267  80.741   8.613  1.00 94.08           C  
-ATOM    201  CH2 TRP H 803     -36.481  82.119   8.428  1.00 94.99           C  
-ATOM    202  N   PRO H 804     -39.964  79.352   4.391  1.00 88.53           N  
-ATOM    203  CA  PRO H 804     -40.351  80.437   3.497  1.00 87.62           C  
-ATOM    204  C   PRO H 804     -41.454  80.025   2.554  1.00 88.17           C  
-ATOM    205  O   PRO H 804     -42.413  80.759   2.367  1.00 89.17           O  
-ATOM    206  CB  PRO H 804     -39.054  80.760   2.770  1.00 88.59           C  
-ATOM    207  CG  PRO H 804     -38.025  80.456   3.779  1.00 88.18           C  
-ATOM    208  CD  PRO H 804     -38.508  79.140   4.324  1.00 89.00           C  
-ATOM    209  N   ALA H 805     -41.320  78.844   1.964  1.00 88.14           N  
-ATOM    210  CA  ALA H 805     -42.324  78.365   1.031  1.00 89.09           C  
-ATOM    211  C   ALA H 805     -43.712  78.452   1.650  1.00 89.46           C  
-ATOM    212  O   ALA H 805     -44.657  78.933   1.015  1.00 90.33           O  
-ATOM    213  CB  ALA H 805     -42.021  76.942   0.627  1.00 90.00           C  
-ATOM    214  N   VAL H 806     -43.835  77.991   2.889  1.00 87.89           N  
-ATOM    215  CA  VAL H 806     -45.118  78.026   3.569  1.00 87.58           C  
-ATOM    216  C   VAL H 806     -45.614  79.471   3.706  1.00 88.80           C  
-ATOM    217  O   VAL H 806     -46.575  79.860   3.049  1.00 89.77           O  
-ATOM    218  CB  VAL H 806     -45.020  77.373   4.957  1.00 86.85           C  
-ATOM    219  CG1 VAL H 806     -46.374  77.291   5.583  1.00 86.61           C  
-ATOM    220  CG2 VAL H 806     -44.427  75.994   4.838  1.00 85.66           C  
-ATOM    221  N   ALA H 807     -44.952  80.268   4.540  1.00 89.75           N  
-ATOM    222  CA  ALA H 807     -45.336  81.661   4.750  1.00 90.26           C  
-ATOM    223  C   ALA H 807     -45.617  82.447   3.471  1.00 91.51           C  
-ATOM    224  O   ALA H 807     -46.216  83.513   3.524  1.00 91.00           O  
-ATOM    225  CB  ALA H 807     -44.284  82.373   5.550  1.00 89.12           C  
-ATOM    226  N   LEU H 808     -45.176  81.958   2.320  1.00 95.15           N  
-ATOM    227  CA  LEU H 808     -45.472  82.686   1.084  1.00 98.91           C  
-ATOM    228  C   LEU H 808     -46.910  82.379   0.671  1.00101.03           C  
-ATOM    229  O   LEU H 808     -47.671  83.305   0.391  1.00101.88           O  
-ATOM    230  CB  LEU H 808     -44.488  82.341  -0.052  1.00 96.98           C  
-ATOM    231  CG  LEU H 808     -43.112  83.032   0.005  1.00 94.74           C  
-ATOM    232  CD1 LEU H 808     -42.482  83.000  -1.374  1.00 92.86           C  
-ATOM    233  CD2 LEU H 808     -43.252  84.476   0.464  1.00 92.92           C  
-ATOM    234  N   HIS H 809     -47.279  81.092   0.648  1.00102.43           N  
-ATOM    235  CA  HIS H 809     -48.647  80.689   0.322  1.00103.47           C  
-ATOM    236  C   HIS H 809     -49.605  81.134   1.422  1.00104.38           C  
-ATOM    237  O   HIS H 809     -50.820  81.187   1.212  1.00104.45           O  
-ATOM    238  CB  HIS H 809     -48.762  79.186   0.194  1.00104.04           C  
-ATOM    239  CG  HIS H 809     -48.299  78.662  -1.119  1.00108.79           C  
-ATOM    240  ND1 HIS H 809     -47.098  78.005  -1.274  1.00110.90           N  
-ATOM    241  CD2 HIS H 809     -48.877  78.691  -2.343  1.00110.74           C  
-ATOM    242  CE1 HIS H 809     -46.956  77.648  -2.539  1.00111.58           C  
-ATOM    243  NE2 HIS H 809     -48.022  78.051  -3.209  1.00111.65           N  
-ATOM    244  N   LEU H 810     -49.052  81.423   2.601  1.00103.99           N  
-ATOM    245  CA  LEU H 810     -49.844  81.879   3.740  1.00103.59           C  
-ATOM    246  C   LEU H 810     -50.232  83.326   3.540  1.00103.48           C  
-ATOM    247  O   LEU H 810     -51.191  83.803   4.141  1.00103.95           O  
-ATOM    248  CB  LEU H 810     -49.052  81.783   5.040  1.00103.71           C  
-ATOM    249  CG  LEU H 810     -49.339  80.651   6.019  1.00103.79           C  
-ATOM    250  CD1 LEU H 810     -48.633  80.973   7.324  1.00102.46           C  
-ATOM    251  CD2 LEU H 810     -50.839  80.507   6.249  1.00104.76           C  
-ATOM    252  N   GLY H 811     -49.459  84.025   2.712  1.00103.28           N  
-ATOM    253  CA  GLY H 811     -49.732  85.424   2.438  1.00102.66           C  
-ATOM    254  C   GLY H 811     -48.637  86.401   2.839  1.00101.63           C  
-ATOM    255  O   GLY H 811     -48.778  87.608   2.638  1.00101.81           O  
-ATOM    256  N   VAL H 812     -47.550  85.904   3.416  1.00100.49           N  
-ATOM    257  CA  VAL H 812     -46.463  86.788   3.813  1.00 99.88           C  
-ATOM    258  C   VAL H 812     -45.700  87.234   2.555  1.00101.46           C  
-ATOM    259  O   VAL H 812     -45.569  86.463   1.590  1.00101.72           O  
-ATOM    260  CB  VAL H 812     -45.495  86.078   4.789  1.00 98.05           C  
-ATOM    261  CG1 VAL H 812     -44.405  87.035   5.238  1.00 97.05           C  
-ATOM    262  CG2 VAL H 812     -46.259  85.556   5.983  1.00 97.00           C  
-ATOM    263  N   SER H 813     -45.218  88.479   2.568  1.00100.92           N  
-ATOM    264  CA  SER H 813     -44.476  89.042   1.443  1.00 99.36           C  
-ATOM    265  C   SER H 813     -43.024  88.607   1.511  1.00 99.84           C  
-ATOM    266  O   SER H 813     -42.459  88.460   2.600  1.00 97.35           O  
-ATOM    267  CB  SER H 813     -44.517  90.558   1.487  1.00 99.07           C  
-ATOM    268  OG  SER H 813     -43.762  91.023   2.591  1.00 99.29           O  
-ATOM    269  N   TYR H 814     -42.421  88.419   0.338  1.00100.53           N  
-ATOM    270  CA  TYR H 814     -41.030  88.003   0.248  1.00 99.69           C  
-ATOM    271  C   TYR H 814     -40.234  89.020   1.031  1.00 98.58           C  
-ATOM    272  O   TYR H 814     -39.228  88.705   1.669  1.00 98.75           O  
-ATOM    273  CB  TYR H 814     -40.559  87.992  -1.208  1.00100.88           C  
-ATOM    274  CG  TYR H 814     -39.161  87.440  -1.379  1.00103.52           C  
-ATOM    275  CD1 TYR H 814     -38.866  86.137  -0.993  1.00104.44           C  
-ATOM    276  CD2 TYR H 814     -38.121  88.232  -1.878  1.00103.86           C  
-ATOM    277  CE1 TYR H 814     -37.577  85.630  -1.088  1.00106.42           C  
-ATOM    278  CE2 TYR H 814     -36.820  87.733  -1.976  1.00105.49           C  
-ATOM    279  CZ  TYR H 814     -36.558  86.426  -1.574  1.00107.29           C  
-ATOM    280  OH  TYR H 814     -35.284  85.902  -1.627  1.00108.83           O  
-ATOM    281  N   ARG H 815     -40.714  90.253   0.983  1.00 97.01           N  
-ATOM    282  CA  ARG H 815     -40.062  91.338   1.679  1.00 95.69           C  
-ATOM    283  C   ARG H 815     -40.014  91.018   3.163  1.00 95.37           C  
-ATOM    284  O   ARG H 815     -39.007  91.260   3.821  1.00 93.80           O  
-ATOM    285  CB  ARG H 815     -40.831  92.637   1.425  1.00 95.06           C  
-ATOM    286  CG  ARG H 815     -40.071  93.913   1.750  1.00 93.39           C  
-ATOM    287  CD  ARG H 815     -39.952  94.131   3.234  1.00 93.12           C  
-ATOM    288  NE  ARG H 815     -39.426  95.453   3.542  1.00 94.40           N  
-ATOM    289  CZ  ARG H 815     -39.371  95.960   4.768  1.00 95.35           C  
-ATOM    290  NH1 ARG H 815     -39.815  95.245   5.790  1.00 95.79           N  
-ATOM    291  NH2 ARG H 815     -38.872  97.174   4.973  1.00 95.25           N  
-ATOM    292  N   GLU H 816     -41.100  90.450   3.680  1.00 96.80           N  
-ATOM    293  CA  GLU H 816     -41.183  90.117   5.102  1.00 98.77           C  
-ATOM    294  C   GLU H 816     -40.556  88.788   5.490  1.00 97.31           C  
-ATOM    295  O   GLU H 816     -40.074  88.621   6.616  1.00 95.71           O  
-ATOM    296  CB  GLU H 816     -42.638  90.156   5.570  1.00102.24           C  
-ATOM    297  CG  GLU H 816     -43.063  91.526   6.104  1.00108.52           C  
-ATOM    298  CD  GLU H 816     -42.283  91.950   7.358  1.00111.95           C  
-ATOM    299  OE1 GLU H 816     -42.350  91.226   8.384  1.00112.79           O  
-ATOM    300  OE2 GLU H 816     -41.608  93.008   7.313  1.00113.17           O  
-ATOM    301  N   VAL H 817     -40.577  87.834   4.567  1.00 95.86           N  
-ATOM    302  CA  VAL H 817     -39.966  86.549   4.840  1.00 92.22           C  
-ATOM    303  C   VAL H 817     -38.528  86.949   5.120  1.00 92.45           C  
-ATOM    304  O   VAL H 817     -37.931  86.531   6.115  1.00 92.80           O  
-ATOM    305  CB  VAL H 817     -40.021  85.618   3.610  1.00 88.84           C  
-ATOM    306  CG1 VAL H 817     -39.728  84.199   4.028  1.00 87.45           C  
-ATOM    307  CG2 VAL H 817     -41.378  85.706   2.944  1.00 86.81           C  
-ATOM    308  N   GLN H 818     -38.004  87.811   4.250  1.00 92.45           N  
-ATOM    309  CA  GLN H 818     -36.636  88.299   4.354  1.00 93.53           C  
-ATOM    310  C   GLN H 818     -36.353  89.075   5.635  1.00 93.10           C  
-ATOM    311  O   GLN H 818     -35.294  88.913   6.240  1.00 91.32           O  
-ATOM    312  CB  GLN H 818     -36.293  89.183   3.149  1.00 95.73           C  
-ATOM    313  CG  GLN H 818     -34.917  89.867   3.275  1.00 99.17           C  
-ATOM    314  CD  GLN H 818     -34.645  90.934   2.212  1.00 99.75           C  
-ATOM    315  OE1 GLN H 818     -33.688  91.702   2.328  1.00 99.04           O  
-ATOM    316  NE2 GLN H 818     -35.480  90.981   1.175  1.00100.06           N  
-ATOM    317  N   ARG H 819     -37.293  89.925   6.038  1.00 93.96           N  
-ATOM    318  CA  ARG H 819     -37.116  90.730   7.243  1.00 95.01           C  
-ATOM    319  C   ARG H 819     -36.898  89.811   8.435  1.00 95.58           C  
-ATOM    320  O   ARG H 819     -36.165  90.155   9.365  1.00 95.77           O  
-ATOM    321  CB  ARG H 819     -38.349  91.608   7.488  1.00 94.85           C  
-ATOM    322  CG  ARG H 819     -38.161  92.693   8.542  1.00 95.07           C  
-ATOM    323  CD  ARG H 819     -39.422  92.851   9.379  1.00 98.42           C  
-ATOM    324  NE  ARG H 819     -39.340  92.069  10.614  1.00102.50           N  
-ATOM    325  CZ  ARG H 819     -40.361  91.443  11.202  1.00103.51           C  
-ATOM    326  NH1 ARG H 819     -41.581  91.488  10.673  1.00103.21           N  
-ATOM    327  NH2 ARG H 819     -40.160  90.778  12.339  1.00102.41           N  
-ATOM    328  N   ILE H 820     -37.537  88.639   8.388  1.00 95.90           N  
-ATOM    329  CA  ILE H 820     -37.456  87.638   9.454  1.00 95.09           C  
-ATOM    330  C   ILE H 820     -36.172  86.840   9.392  1.00 95.60           C  
-ATOM    331  O   ILE H 820     -35.475  86.704  10.399  1.00 93.89           O  
-ATOM    332  CB  ILE H 820     -38.614  86.640   9.374  1.00 94.02           C  
-ATOM    333  CG1 ILE H 820     -39.935  87.393   9.309  1.00 92.18           C  
-ATOM    334  CG2 ILE H 820     -38.597  85.731  10.590  1.00 93.16           C  
-ATOM    335  CD1 ILE H 820     -41.068  86.529   8.906  1.00 91.96           C  
-ATOM    336  N   ARG H 821     -35.880  86.300   8.208  1.00 96.80           N  
-ATOM    337  CA  ARG H 821     -34.668  85.512   7.998  1.00 98.95           C  
-ATOM    338  C   ARG H 821     -33.495  86.314   8.569  1.00 99.58           C  
-ATOM    339  O   ARG H 821     -32.531  85.762   9.107  1.00 99.64           O  
-ATOM    340  CB  ARG H 821     -34.449  85.254   6.495  1.00 99.88           C  
-ATOM    341  CG  ARG H 821     -33.416  84.162   6.160  1.00103.51           C  
-ATOM    342  CD  ARG H 821     -33.028  84.139   4.663  1.00107.55           C  
-ATOM    343  NE  ARG H 821     -34.183  83.994   3.764  1.00111.35           N  
-ATOM    344  CZ  ARG H 821     -34.433  82.926   3.001  1.00112.91           C  
-ATOM    345  NH1 ARG H 821     -33.603  81.883   3.017  1.00113.64           N  
-ATOM    346  NH2 ARG H 821     -35.515  82.895   2.220  1.00110.39           N  
-ATOM    347  N   HIS H 822     -33.608  87.632   8.477  1.00 99.64           N  
-ATOM    348  CA  HIS H 822     -32.560  88.517   8.949  1.00 99.10           C  
-ATOM    349  C   HIS H 822     -32.523  88.729  10.464  1.00 98.50           C  
-ATOM    350  O   HIS H 822     -31.455  88.639  11.075  1.00 96.90           O  
-ATOM    351  CB  HIS H 822     -32.682  89.873   8.238  1.00100.12           C  
-ATOM    352  CG  HIS H 822     -31.584  90.832   8.579  1.00100.82           C  
-ATOM    353  ND1 HIS H 822     -30.276  90.632   8.190  1.00100.08           N  
-ATOM    354  CD2 HIS H 822     -31.585  91.953   9.339  1.00 99.46           C  
-ATOM    355  CE1 HIS H 822     -29.518  91.585   8.703  1.00 99.75           C  
-ATOM    356  NE2 HIS H 822     -30.287  92.398   9.405  1.00 99.25           N  
-ATOM    357  N   GLU H 823     -33.682  89.008  11.062  1.00 98.55           N  
-ATOM    358  CA  GLU H 823     -33.770  89.277  12.498  1.00 98.38           C  
-ATOM    359  C   GLU H 823     -33.304  88.129  13.389  1.00 97.81           C  
-ATOM    360  O   GLU H 823     -33.012  88.340  14.566  1.00 96.80           O  
-ATOM    361  CB  GLU H 823     -35.202  89.662  12.883  1.00 99.34           C  
-ATOM    362  CG  GLU H 823     -35.308  90.388  14.228  1.00102.84           C  
-ATOM    363  CD  GLU H 823     -36.754  90.562  14.709  1.00106.64           C  
-ATOM    364  OE1 GLU H 823     -37.662  90.800  13.873  1.00108.00           O  
-ATOM    365  OE2 GLU H 823     -36.984  90.474  15.934  1.00107.51           O  
-ATOM    366  N   PHE H 824     -33.234  86.924  12.829  1.00 97.52           N  
-ATOM    367  CA  PHE H 824     -32.812  85.753  13.584  1.00 97.46           C  
-ATOM    368  C   PHE H 824     -31.815  84.899  12.805  1.00101.67           C  
-ATOM    369  O   PHE H 824     -31.709  83.700  13.036  1.00102.50           O  
-ATOM    370  CB  PHE H 824     -34.028  84.904  13.937  1.00 91.73           C  
-ATOM    371  CG  PHE H 824     -35.134  85.676  14.585  1.00 88.00           C  
-ATOM    372  CD1 PHE H 824     -36.232  86.104  13.841  1.00 86.47           C  
-ATOM    373  CD2 PHE H 824     -35.068  86.017  15.932  1.00 84.04           C  
-ATOM    374  CE1 PHE H 824     -37.248  86.869  14.435  1.00 81.78           C  
-ATOM    375  CE2 PHE H 824     -36.075  86.776  16.520  1.00 81.56           C  
-ATOM    376  CZ  PHE H 824     -37.165  87.203  15.767  1.00 79.49           C  
-ATOM    377  N   ARG H 825     -31.079  85.524  11.891  1.00106.28           N  
-ATOM    378  CA  ARG H 825     -30.099  84.837  11.048  1.00108.99           C  
-ATOM    379  C   ARG H 825     -29.258  83.749  11.727  1.00108.87           C  
-ATOM    380  O   ARG H 825     -28.693  82.882  11.053  1.00109.64           O  
-ATOM    381  CB  ARG H 825     -29.167  85.868  10.390  1.00112.31           C  
-ATOM    382  CG  ARG H 825     -28.419  86.786  11.361  1.00116.56           C  
-ATOM    383  CD  ARG H 825     -27.395  87.644  10.612  1.00121.09           C  
-ATOM    384  NE  ARG H 825     -26.628  88.536  11.484  1.00124.86           N  
-ATOM    385  CZ  ARG H 825     -27.123  89.616  12.090  1.00127.28           C  
-ATOM    386  NH1 ARG H 825     -28.401  89.954  11.925  1.00126.42           N  
-ATOM    387  NH2 ARG H 825     -26.336  90.364  12.860  1.00128.18           N  
-ATOM    388  N   ASP H 826     -29.179  83.786  13.052  1.00107.89           N  
-ATOM    389  CA  ASP H 826     -28.390  82.806  13.804  1.00107.78           C  
-ATOM    390  C   ASP H 826     -29.260  81.832  14.610  1.00105.51           C  
-ATOM    391  O   ASP H 826     -28.787  81.189  15.556  1.00104.27           O  
-ATOM    392  CB  ASP H 826     -27.452  83.546  14.751  1.00110.04           C  
-ATOM    393  CG  ASP H 826     -28.144  84.701  15.457  1.00113.17           C  
-ATOM    394  OD1 ASP H 826     -27.578  85.214  16.450  1.00115.57           O  
-ATOM    395  OD2 ASP H 826     -29.249  85.101  15.013  1.00112.65           O  
-ATOM    396  N   ASP H 827     -30.521  81.710  14.210  1.00102.52           N  
-ATOM    397  CA  ASP H 827     -31.468  80.857  14.906  1.00 99.34           C  
-ATOM    398  C   ASP H 827     -32.623  80.457  13.991  1.00 96.59           C  
-ATOM    399  O   ASP H 827     -33.642  81.137  13.940  1.00 94.87           O  
-ATOM    400  CB  ASP H 827     -31.980  81.629  16.124  1.00101.86           C  
-ATOM    401  CG  ASP H 827     -33.085  80.913  16.861  1.00104.66           C  
-ATOM    402  OD1 ASP H 827     -33.424  81.364  17.983  1.00106.50           O  
-ATOM    403  OD2 ASP H 827     -33.617  79.915  16.326  1.00106.35           O  
-ATOM    404  N   LEU H 828     -32.463  79.346  13.277  1.00 94.56           N  
-ATOM    405  CA  LEU H 828     -33.499  78.872  12.363  1.00 92.38           C  
-ATOM    406  C   LEU H 828     -34.813  78.697  13.078  1.00 92.84           C  
-ATOM    407  O   LEU H 828     -35.854  79.089  12.572  1.00 93.66           O  
-ATOM    408  CB  LEU H 828     -33.103  77.544  11.720  1.00 89.56           C  
-ATOM    409  CG  LEU H 828     -34.117  76.934  10.749  1.00 87.26           C  
-ATOM    410  CD1 LEU H 828     -34.722  77.992   9.859  1.00 84.09           C  
-ATOM    411  CD2 LEU H 828     -33.428  75.890   9.911  1.00 86.84           C  
-ATOM    412  N   ASP H 829     -34.762  78.098  14.260  1.00 93.58           N  
-ATOM    413  CA  ASP H 829     -35.966  77.882  15.046  1.00 93.65           C  
-ATOM    414  C   ASP H 829     -36.768  79.168  15.199  1.00 93.22           C  
-ATOM    415  O   ASP H 829     -37.798  79.336  14.547  1.00 93.91           O  
-ATOM    416  CB  ASP H 829     -35.610  77.314  16.429  1.00 94.97           C  
-ATOM    417  CG  ASP H 829     -35.491  75.787  16.429  1.00 96.75           C  
-ATOM    418  OD1 ASP H 829     -36.518  75.102  16.203  1.00 97.05           O  
-ATOM    419  OD2 ASP H 829     -34.371  75.271  16.651  1.00 96.94           O  
-ATOM    420  N   GLU H 830     -36.287  80.081  16.039  1.00 92.61           N  
-ATOM    421  CA  GLU H 830     -36.990  81.335  16.281  1.00 92.22           C  
-ATOM    422  C   GLU H 830     -37.421  81.999  14.988  1.00 91.30           C  
-ATOM    423  O   GLU H 830     -38.366  82.780  14.971  1.00 91.87           O  
-ATOM    424  CB  GLU H 830     -36.132  82.294  17.110  1.00 93.25           C  
-ATOM    425  CG  GLU H 830     -36.879  83.535  17.620  1.00 96.73           C  
-ATOM    426  CD  GLU H 830     -37.987  83.231  18.643  1.00 99.51           C  
-ATOM    427  OE1 GLU H 830     -37.673  82.733  19.748  1.00101.19           O  
-ATOM    428  OE2 GLU H 830     -39.175  83.504  18.346  1.00 99.33           O  
-ATOM    429  N   GLN H 831     -36.741  81.699  13.896  1.00 90.83           N  
-ATOM    430  CA  GLN H 831     -37.155  82.286  12.636  1.00 92.41           C  
-ATOM    431  C   GLN H 831     -38.536  81.752  12.314  1.00 92.35           C  
-ATOM    432  O   GLN H 831     -39.453  82.505  12.012  1.00 93.29           O  
-ATOM    433  CB  GLN H 831     -36.183  81.926  11.510  1.00 92.88           C  
-ATOM    434  CG  GLN H 831     -35.066  82.939  11.350  1.00 93.99           C  
-ATOM    435  CD  GLN H 831     -33.986  82.519  10.377  1.00 92.02           C  
-ATOM    436  OE1 GLN H 831     -32.984  83.214  10.220  1.00 93.08           O  
-ATOM    437  NE2 GLN H 831     -34.174  81.389   9.728  1.00 90.37           N  
-ATOM    438  N   ILE H 832     -38.689  80.441  12.415  1.00 92.15           N  
-ATOM    439  CA  ILE H 832     -39.955  79.813  12.106  1.00 92.17           C  
-ATOM    440  C   ILE H 832     -41.048  80.089  13.128  1.00 92.07           C  
-ATOM    441  O   ILE H 832     -42.204  80.324  12.757  1.00 92.00           O  
-ATOM    442  CB  ILE H 832     -39.784  78.305  11.952  1.00 92.60           C  
-ATOM    443  CG1 ILE H 832     -38.669  78.024  10.944  1.00 92.29           C  
-ATOM    444  CG2 ILE H 832     -41.097  77.687  11.470  1.00 94.03           C  
-ATOM    445  CD1 ILE H 832     -38.370  76.566  10.752  1.00 92.46           C  
-ATOM    446  N   ARG H 833     -40.706  80.051  14.411  1.00 91.19           N  
-ATOM    447  CA  ARG H 833     -41.725  80.316  15.408  1.00 91.28           C  
-ATOM    448  C   ARG H 833     -42.242  81.707  15.101  1.00 92.73           C  
-ATOM    449  O   ARG H 833     -43.429  81.888  14.808  1.00 93.19           O  
-ATOM    450  CB  ARG H 833     -41.152  80.259  16.824  1.00 89.23           C  
-ATOM    451  CG  ARG H 833     -40.398  78.988  17.089  1.00 90.94           C  
-ATOM    452  CD  ARG H 833     -40.562  78.488  18.505  1.00 92.23           C  
-ATOM    453  NE  ARG H 833     -39.269  78.122  19.074  1.00 93.54           N  
-ATOM    454  CZ  ARG H 833     -38.377  79.015  19.487  1.00 94.30           C  
-ATOM    455  NH1 ARG H 833     -38.663  80.307  19.392  1.00 94.33           N  
-ATOM    456  NH2 ARG H 833     -37.204  78.628  19.981  1.00 93.56           N  
-ATOM    457  N   HIS H 834     -41.332  82.681  15.121  1.00 93.13           N  
-ATOM    458  CA  HIS H 834     -41.698  84.064  14.864  1.00 92.68           C  
-ATOM    459  C   HIS H 834     -42.531  84.195  13.600  1.00 91.46           C  
-ATOM    460  O   HIS H 834     -43.451  85.005  13.536  1.00 91.34           O  
-ATOM    461  CB  HIS H 834     -40.453  84.946  14.765  1.00 94.45           C  
-ATOM    462  CG  HIS H 834     -40.762  86.404  14.599  1.00 98.45           C  
-ATOM    463  ND1 HIS H 834     -41.371  86.914  13.471  1.00 99.09           N  
-ATOM    464  CD2 HIS H 834     -40.565  87.460  15.427  1.00 99.54           C  
-ATOM    465  CE1 HIS H 834     -41.536  88.218  13.611  1.00 99.52           C  
-ATOM    466  NE2 HIS H 834     -41.055  88.575  14.789  1.00100.23           N  
-ATOM    467  N   MET H 835     -42.227  83.393  12.594  1.00 90.38           N  
-ATOM    468  CA  MET H 835     -42.985  83.472  11.355  1.00 90.23           C  
-ATOM    469  C   MET H 835     -44.434  83.099  11.610  1.00 90.36           C  
-ATOM    470  O   MET H 835     -45.333  83.909  11.394  1.00 90.01           O  
-ATOM    471  CB  MET H 835     -42.379  82.544  10.304  1.00 89.44           C  
-ATOM    472  CG  MET H 835     -42.951  82.723   8.919  1.00 87.29           C  
-ATOM    473  SD  MET H 835     -44.571  82.025   8.752  1.00 86.35           S  
-ATOM    474  CE  MET H 835     -44.182  80.495   7.897  1.00 87.20           C  
-ATOM    475  N   LEU H 836     -44.641  81.871  12.083  1.00 90.41           N  
-ATOM    476  CA  LEU H 836     -45.968  81.338  12.377  1.00 90.27           C  
-ATOM    477  C   LEU H 836     -46.767  82.119  13.421  1.00 91.03           C  
-ATOM    478  O   LEU H 836     -47.892  82.542  13.153  1.00 90.63           O  
-ATOM    479  CB  LEU H 836     -45.845  79.878  12.819  1.00 87.93           C  
-ATOM    480  CG  LEU H 836     -46.114  78.785  11.785  1.00 86.09           C  
-ATOM    481  CD1 LEU H 836     -45.963  79.335  10.381  1.00 83.72           C  
-ATOM    482  CD2 LEU H 836     -45.162  77.618  12.030  1.00 85.37           C  
-ATOM    483  N   PHE H 837     -46.202  82.301  14.611  1.00 91.64           N  
-ATOM    484  CA  PHE H 837     -46.907  83.028  15.661  1.00 93.72           C  
-ATOM    485  C   PHE H 837     -47.292  84.464  15.269  1.00 96.27           C  
-ATOM    486  O   PHE H 837     -48.345  84.952  15.673  1.00 97.85           O  
-ATOM    487  CB  PHE H 837     -46.088  83.017  16.958  1.00 91.40           C  
-ATOM    488  CG  PHE H 837     -46.213  81.739  17.736  1.00 90.92           C  
-ATOM    489  CD1 PHE H 837     -45.791  80.535  17.200  1.00 91.77           C  
-ATOM    490  CD2 PHE H 837     -46.792  81.726  18.994  1.00 91.52           C  
-ATOM    491  CE1 PHE H 837     -45.950  79.329  17.909  1.00 90.45           C  
-ATOM    492  CE2 PHE H 837     -46.950  80.521  19.704  1.00 90.39           C  
-ATOM    493  CZ  PHE H 837     -46.528  79.328  19.155  1.00 88.08           C  
-ATOM    494  N   SER H 838     -46.459  85.136  14.476  1.00 98.13           N  
-ATOM    495  CA  SER H 838     -46.746  86.504  14.038  1.00 97.96           C  
-ATOM    496  C   SER H 838     -47.860  86.512  13.014  1.00 97.68           C  
-ATOM    497  O   SER H 838     -48.470  87.542  12.760  1.00 98.12           O  
-ATOM    498  CB  SER H 838     -45.504  87.153  13.428  1.00 98.67           C  
-ATOM    499  OG  SER H 838     -44.580  87.503  14.442  1.00 99.03           O  
-ATOM    500  N   TRP H 839     -48.100  85.354  12.415  1.00 97.77           N  
-ATOM    501  CA  TRP H 839     -49.154  85.189  11.426  1.00 97.56           C  
-ATOM    502  C   TRP H 839     -50.383  84.741  12.178  1.00 99.46           C  
-ATOM    503  O   TRP H 839     -51.497  84.877  11.693  1.00100.12           O  
-ATOM    504  CB  TRP H 839     -48.773  84.116  10.420  1.00 95.97           C  
-ATOM    505  CG  TRP H 839     -49.921  83.589   9.653  1.00 93.50           C  
-ATOM    506  CD1 TRP H 839     -50.392  84.040   8.458  1.00 94.77           C  
-ATOM    507  CD2 TRP H 839     -50.767  82.514  10.040  1.00 93.06           C  
-ATOM    508  NE1 TRP H 839     -51.486  83.306   8.071  1.00 93.67           N  
-ATOM    509  CE2 TRP H 839     -51.737  82.361   9.027  1.00 92.15           C  
-ATOM    510  CE3 TRP H 839     -50.801  81.661  11.151  1.00 93.06           C  
-ATOM    511  CZ2 TRP H 839     -52.728  81.394   9.088  1.00 91.88           C  
-ATOM    512  CZ3 TRP H 839     -51.782  80.702  11.215  1.00 93.24           C  
-ATOM    513  CH2 TRP H 839     -52.738  80.574  10.185  1.00 94.28           C  
-ATOM    514  N   ALA H 840     -50.162  84.185  13.364  1.00102.07           N  
-ATOM    515  CA  ALA H 840     -51.244  83.717  14.220  1.00103.99           C  
-ATOM    516  C   ALA H 840     -51.935  84.921  14.876  1.00106.03           C  
-ATOM    517  O   ALA H 840     -53.137  84.891  15.137  1.00107.41           O  
-ATOM    518  CB  ALA H 840     -50.693  82.775  15.277  1.00103.12           C  
-ATOM    519  N   GLU H 841     -51.170  85.975  15.142  1.00107.70           N  
-ATOM    520  CA  GLU H 841     -51.712  87.199  15.727  1.00109.18           C  
-ATOM    521  C   GLU H 841     -52.664  87.824  14.709  1.00108.92           C  
-ATOM    522  O   GLU H 841     -53.861  87.945  14.938  1.00109.38           O  
-ATOM    523  CB  GLU H 841     -50.592  88.202  15.993  1.00112.61           C  
-ATOM    524  CG  GLU H 841     -49.548  87.764  16.989  1.00118.47           C  
-ATOM    525  CD  GLU H 841     -50.008  87.930  18.418  1.00121.78           C  
-ATOM    526  OE1 GLU H 841     -51.117  88.479  18.617  1.00124.20           O  
-ATOM    527  OE2 GLU H 841     -49.258  87.520  19.337  1.00123.74           O  
-ATOM    528  N   ARG H 842     -52.099  88.227  13.579  1.00108.27           N  
-ATOM    529  CA  ARG H 842     -52.839  88.849  12.492  1.00107.64           C  
-ATOM    530  C   ARG H 842     -54.032  88.006  12.036  1.00107.79           C  
-ATOM    531  O   ARG H 842     -54.799  88.410  11.165  1.00107.37           O  
-ATOM    532  CB  ARG H 842     -51.880  89.100  11.315  1.00107.32           C  
-ATOM    533  CG  ARG H 842     -50.647  89.932  11.692  1.00106.55           C  
-ATOM    534  CD  ARG H 842     -49.655  90.071  10.542  1.00105.51           C  
-ATOM    535  NE  ARG H 842     -48.845  88.872  10.332  1.00104.05           N  
-ATOM    536  CZ  ARG H 842     -48.906  88.096   9.253  1.00102.72           C  
-ATOM    537  NH1 ARG H 842     -49.747  88.377   8.265  1.00101.33           N  
-ATOM    538  NH2 ARG H 842     -48.106  87.046   9.158  1.00101.48           N  
-ATOM    539  N   GLN H 843     -54.194  86.833  12.628  1.00108.80           N  
-ATOM    540  CA  GLN H 843     -55.300  85.968  12.258  1.00111.01           C  
-ATOM    541  C   GLN H 843     -56.322  85.846  13.392  1.00112.97           C  
-ATOM    542  O   GLN H 843     -57.379  85.246  13.210  1.00113.97           O  
-ATOM    543  CB  GLN H 843     -54.764  84.592  11.870  1.00110.23           C  
-ATOM    544  CG  GLN H 843     -55.318  84.060  10.559  1.00109.92           C  
-ATOM    545  CD  GLN H 843     -55.299  85.097   9.456  1.00109.32           C  
-ATOM    546  OE1 GLN H 843     -54.331  85.838   9.312  1.00108.76           O  
-ATOM    547  NE2 GLN H 843     -56.369  85.148   8.665  1.00108.61           N  
-ATOM    548  N   ALA H 844     -55.991  86.442  14.540  1.00114.43           N  
-ATOM    549  CA  ALA H 844     -56.810  86.459  15.760  1.00115.87           C  
-ATOM    550  C   ALA H 844     -58.278  86.049  15.638  1.00118.01           C  
-ATOM    551  O   ALA H 844     -58.796  85.325  16.493  1.00118.52           O  
-ATOM    552  CB  ALA H 844     -56.724  87.828  16.405  1.00115.11           C  
-ATOM    553  N   GLY H 845     -58.961  86.534  14.607  1.00119.46           N  
-ATOM    554  CA  GLY H 845     -60.351  86.156  14.422  1.00121.94           C  
-ATOM    555  C   GLY H 845     -60.480  85.443  13.091  1.00123.89           C  
-ATOM    556  O   GLY H 845     -60.046  84.297  12.932  1.00124.27           O  
-ATOM    557  N   GLN H 846     -61.082  86.134  12.130  1.00125.23           N  
-ATOM    558  CA  GLN H 846     -61.256  85.619  10.775  1.00125.53           C  
-ATOM    559  C   GLN H 846     -61.955  84.268  10.703  1.00124.93           C  
-ATOM    560  O   GLN H 846     -62.118  83.575  11.707  1.00124.22           O  
-ATOM    561  CB  GLN H 846     -59.891  85.524  10.081  1.00126.41           C  
-ATOM    562  CG  GLN H 846     -58.941  86.655  10.448  1.00126.85           C  
-ATOM    563  CD  GLN H 846     -59.646  87.995  10.549  1.00126.26           C  
-ATOM    564  OE1 GLN H 846     -60.205  88.494   9.571  1.00125.96           O  
-ATOM    565  NE2 GLN H 846     -59.629  88.580  11.743  1.00125.01           N  
-ATOM    566  N   PRO H 847     -62.383  83.877   9.495  1.00125.05           N  
-ATOM    567  CA  PRO H 847     -63.058  82.586   9.372  1.00124.12           C  
-ATOM    568  C   PRO H 847     -62.068  81.438   9.544  1.00122.91           C  
-ATOM    569  O   PRO H 847     -61.537  81.215  10.636  1.00122.44           O  
-ATOM    570  CB  PRO H 847     -63.663  82.648   7.967  1.00124.76           C  
-ATOM    571  CG  PRO H 847     -62.639  83.461   7.205  1.00124.68           C  
-ATOM    572  CD  PRO H 847     -62.307  84.569   8.191  1.00125.23           C  
-ATOM    573  N   GLY H 848     -61.808  80.736   8.445  1.00121.91           N  
-ATOM    574  CA  GLY H 848     -60.909  79.597   8.466  1.00120.00           C  
-ATOM    575  C   GLY H 848     -59.433  79.913   8.521  1.00118.25           C  
-ATOM    576  O   GLY H 848     -58.677  79.542   7.617  1.00118.70           O  
-ATOM    577  N   ALA H 849     -59.020  80.602   9.579  1.00115.83           N  
-ATOM    578  CA  ALA H 849     -57.616  80.931   9.759  1.00112.66           C  
-ATOM    579  C   ALA H 849     -56.856  79.607   9.706  1.00110.54           C  
-ATOM    580  O   ALA H 849     -55.894  79.456   8.955  1.00109.30           O  
-ATOM    581  CB  ALA H 849     -57.414  81.608  11.104  1.00113.30           C  
-ATOM    582  N   VAL H 850     -57.323  78.641  10.494  1.00108.55           N  
-ATOM    583  CA  VAL H 850     -56.714  77.318  10.549  1.00106.44           C  
-ATOM    584  C   VAL H 850     -56.836  76.583   9.228  1.00106.57           C  
-ATOM    585  O   VAL H 850     -55.963  75.803   8.853  1.00106.46           O  
-ATOM    586  CB  VAL H 850     -57.372  76.443  11.607  1.00104.71           C  
-ATOM    587  CG1 VAL H 850     -56.747  75.068  11.587  1.00102.55           C  
-ATOM    588  CG2 VAL H 850     -57.222  77.078  12.970  1.00105.27           C  
-ATOM    589  N   GLY H 851     -57.936  76.817   8.529  1.00106.84           N  
-ATOM    590  CA  GLY H 851     -58.127  76.153   7.257  1.00106.21           C  
-ATOM    591  C   GLY H 851     -57.070  76.573   6.260  1.00105.27           C  
-ATOM    592  O   GLY H 851     -56.562  75.741   5.494  1.00104.85           O  
-ATOM    593  N   LEU H 852     -56.741  77.867   6.276  1.00103.62           N  
-ATOM    594  CA  LEU H 852     -55.746  78.424   5.365  1.00102.28           C  
-ATOM    595  C   LEU H 852     -54.382  77.786   5.577  1.00100.02           C  
-ATOM    596  O   LEU H 852     -53.747  77.329   4.620  1.00 99.94           O  
-ATOM    597  CB  LEU H 852     -55.644  79.946   5.540  1.00103.24           C  
-ATOM    598  CG  LEU H 852     -56.264  80.817   4.433  1.00104.49           C  
-ATOM    599  CD1 LEU H 852     -56.384  82.253   4.925  1.00104.08           C  
-ATOM    600  CD2 LEU H 852     -55.419  80.748   3.150  1.00103.95           C  
-ATOM    601  N   LEU H 853     -53.945  77.753   6.834  1.00 95.98           N  
-ATOM    602  CA  LEU H 853     -52.658  77.172   7.190  1.00 91.98           C  
-ATOM    603  C   LEU H 853     -52.537  75.777   6.595  1.00 91.26           C  
-ATOM    604  O   LEU H 853     -51.530  75.443   5.984  1.00 90.75           O  
-ATOM    605  CB  LEU H 853     -52.520  77.093   8.709  1.00 88.00           C  
-ATOM    606  CG  LEU H 853     -51.126  76.880   9.284  1.00 84.66           C  
-ATOM    607  CD1 LEU H 853     -51.229  76.832  10.782  1.00 83.40           C  
-ATOM    608  CD2 LEU H 853     -50.521  75.611   8.765  1.00 83.22           C  
-ATOM    609  N   VAL H 854     -53.566  74.958   6.777  1.00 91.30           N  
-ATOM    610  CA  VAL H 854     -53.537  73.604   6.240  1.00 90.72           C  
-ATOM    611  C   VAL H 854     -53.371  73.670   4.744  1.00 90.66           C  
-ATOM    612  O   VAL H 854     -52.646  72.875   4.147  1.00 89.14           O  
-ATOM    613  CB  VAL H 854     -54.831  72.822   6.573  1.00 89.63           C  
-ATOM    614  CG1 VAL H 854     -55.004  71.649   5.609  1.00 87.93           C  
-ATOM    615  CG2 VAL H 854     -54.755  72.305   8.004  1.00 86.93           C  
-ATOM    616  N   GLN H 855     -54.042  74.642   4.146  1.00 92.79           N  
-ATOM    617  CA  GLN H 855     -53.988  74.809   2.710  1.00 94.69           C  
-ATOM    618  C   GLN H 855     -52.575  75.169   2.265  1.00 94.11           C  
-ATOM    619  O   GLN H 855     -52.059  74.604   1.303  1.00 93.73           O  
-ATOM    620  CB  GLN H 855     -54.975  75.882   2.273  1.00 96.20           C  
-ATOM    621  CG  GLN H 855     -55.400  75.698   0.841  1.00 99.86           C  
-ATOM    622  CD  GLN H 855     -55.490  77.005   0.099  1.00102.14           C  
-ATOM    623  OE1 GLN H 855     -55.671  77.020  -1.118  1.00103.29           O  
-ATOM    624  NE2 GLN H 855     -55.361  78.119   0.826  1.00102.63           N  
-ATOM    625  N   ALA H 856     -51.950  76.109   2.964  1.00 93.34           N  
-ATOM    626  CA  ALA H 856     -50.588  76.499   2.631  1.00 92.41           C  
-ATOM    627  C   ALA H 856     -49.700  75.260   2.733  1.00 92.50           C  
-ATOM    628  O   ALA H 856     -49.094  74.851   1.756  1.00 92.54           O  
-ATOM    629  CB  ALA H 856     -50.097  77.587   3.580  1.00 90.49           C  
-ATOM    630  N   LEU H 857     -49.645  74.649   3.911  1.00 92.98           N  
-ATOM    631  CA  LEU H 857     -48.830  73.459   4.108  1.00 93.48           C  
-ATOM    632  C   LEU H 857     -48.949  72.458   2.962  1.00 95.56           C  
-ATOM    633  O   LEU H 857     -47.964  71.835   2.580  1.00 96.66           O  
-ATOM    634  CB  LEU H 857     -49.187  72.780   5.429  1.00 91.59           C  
-ATOM    635  CG  LEU H 857     -48.775  73.519   6.702  1.00 90.45           C  
-ATOM    636  CD1 LEU H 857     -49.271  72.763   7.905  1.00 91.49           C  
-ATOM    637  CD2 LEU H 857     -47.276  73.642   6.771  1.00 90.52           C  
-ATOM    638  N   GLU H 858     -50.146  72.287   2.413  1.00 97.70           N  
-ATOM    639  CA  GLU H 858     -50.320  71.357   1.298  1.00100.01           C  
-ATOM    640  C   GLU H 858     -49.690  71.982   0.067  1.00 99.04           C  
-ATOM    641  O   GLU H 858     -48.935  71.343  -0.657  1.00 97.65           O  
-ATOM    642  CB  GLU H 858     -51.805  71.107   1.022  1.00104.31           C  
-ATOM    643  CG  GLU H 858     -52.492  70.182   2.014  1.00110.68           C  
-ATOM    644  CD  GLU H 858     -53.999  70.121   1.807  1.00113.79           C  
-ATOM    645  OE1 GLU H 858     -54.665  71.150   2.055  1.00116.32           O  
-ATOM    646  OE2 GLU H 858     -54.514  69.053   1.393  1.00114.72           O  
-ATOM    647  N   GLN H 859     -50.021  73.254  -0.139  1.00 99.12           N  
-ATOM    648  CA  GLN H 859     -49.547  74.055  -1.256  1.00 98.15           C  
-ATOM    649  C   GLN H 859     -48.024  74.190  -1.211  1.00 97.67           C  
-ATOM    650  O   GLN H 859     -47.397  74.526  -2.212  1.00 98.43           O  
-ATOM    651  CB  GLN H 859     -50.193  75.434  -1.182  1.00 98.76           C  
-ATOM    652  CG  GLN H 859     -50.557  76.042  -2.515  1.00103.94           C  
-ATOM    653  CD  GLN H 859     -51.844  75.484  -3.086  1.00107.49           C  
-ATOM    654  OE1 GLN H 859     -51.866  74.406  -3.690  1.00108.82           O  
-ATOM    655  NE2 GLN H 859     -52.937  76.218  -2.888  1.00108.76           N  
-ATOM    656  N   SER H 860     -47.443  73.943  -0.037  1.00 96.35           N  
-ATOM    657  CA  SER H 860     -45.996  74.007   0.162  1.00 93.33           C  
-ATOM    658  C   SER H 860     -45.460  72.595   0.156  1.00 92.69           C  
-ATOM    659  O   SER H 860     -44.577  72.258   0.932  1.00 89.69           O  
-ATOM    660  CB  SER H 860     -45.646  74.648   1.502  1.00 92.25           C  
-ATOM    661  OG  SER H 860     -45.903  76.034   1.504  1.00 92.10           O  
-ATOM    662  N   ASP H 861     -46.030  71.766  -0.707  1.00 94.85           N  
-ATOM    663  CA  ASP H 861     -45.615  70.379  -0.852  1.00 98.50           C  
-ATOM    664  C   ASP H 861     -45.346  69.602   0.449  1.00100.28           C  
-ATOM    665  O   ASP H 861     -44.370  68.845   0.548  1.00100.02           O  
-ATOM    666  CB  ASP H 861     -44.387  70.327  -1.749  1.00100.21           C  
-ATOM    667  CG  ASP H 861     -44.556  69.370  -2.887  1.00102.78           C  
-ATOM    668  OD1 ASP H 861     -44.535  68.151  -2.622  1.00103.45           O  
-ATOM    669  OD2 ASP H 861     -44.721  69.838  -4.041  1.00105.21           O  
-ATOM    670  N   ARG H 862     -46.225  69.786   1.434  1.00101.16           N  
-ATOM    671  CA  ARG H 862     -46.117  69.099   2.718  1.00100.93           C  
-ATOM    672  C   ARG H 862     -47.447  68.464   3.141  1.00103.37           C  
-ATOM    673  O   ARG H 862     -47.956  68.785   4.221  1.00104.35           O  
-ATOM    674  CB  ARG H 862     -45.675  70.066   3.820  1.00 97.64           C  
-ATOM    675  CG  ARG H 862     -44.364  70.745   3.561  1.00 93.96           C  
-ATOM    676  CD  ARG H 862     -43.200  69.783   3.632  1.00 90.16           C  
-ATOM    677  NE  ARG H 862     -42.528  69.854   4.923  1.00 86.90           N  
-ATOM    678  CZ  ARG H 862     -42.799  69.055   5.945  1.00 87.04           C  
-ATOM    679  NH1 ARG H 862     -43.731  68.126   5.807  1.00 89.44           N  
-ATOM    680  NH2 ARG H 862     -42.146  69.181   7.093  1.00 82.76           N  
-ATOM    681  N   GLN H 863     -48.017  67.583   2.307  1.00104.55           N  
-ATOM    682  CA  GLN H 863     -49.266  66.891   2.660  1.00104.38           C  
-ATOM    683  C   GLN H 863     -48.981  66.267   4.025  1.00102.65           C  
-ATOM    684  O   GLN H 863     -49.873  65.945   4.800  1.00101.56           O  
-ATOM    685  CB  GLN H 863     -49.579  65.791   1.648  1.00107.09           C  
-ATOM    686  CG  GLN H 863     -50.875  65.038   1.945  1.00112.43           C  
-ATOM    687  CD  GLN H 863     -52.117  65.891   1.707  1.00115.51           C  
-ATOM    688  OE1 GLN H 863     -53.242  65.509   2.069  1.00115.77           O  
-ATOM    689  NE2 GLN H 863     -51.918  67.052   1.086  1.00116.64           N  
-ATOM    690  N   ASP H 864     -47.686  66.118   4.269  1.00101.81           N  
-ATOM    691  CA  ASP H 864     -47.082  65.600   5.482  1.00 99.24           C  
-ATOM    692  C   ASP H 864     -47.711  66.241   6.716  1.00 97.46           C  
-ATOM    693  O   ASP H 864     -48.425  65.591   7.474  1.00 95.93           O  
-ATOM    694  CB  ASP H 864     -45.587  65.933   5.414  1.00100.53           C  
-ATOM    695  CG  ASP H 864     -44.822  65.494   6.636  1.00103.73           C  
-ATOM    696  OD1 ASP H 864     -44.620  64.276   6.812  1.00107.12           O  
-ATOM    697  OD2 ASP H 864     -44.408  66.367   7.428  1.00105.68           O  
-ATOM    698  N   VAL H 865     -47.436  67.531   6.899  1.00 96.50           N  
-ATOM    699  CA  VAL H 865     -47.932  68.291   8.042  1.00 94.77           C  
-ATOM    700  C   VAL H 865     -49.320  68.856   7.797  1.00 94.31           C  
-ATOM    701  O   VAL H 865     -49.903  69.463   8.679  1.00 94.38           O  
-ATOM    702  CB  VAL H 865     -46.973  69.465   8.401  1.00 94.42           C  
-ATOM    703  CG1 VAL H 865     -47.391  70.114   9.702  1.00 94.03           C  
-ATOM    704  CG2 VAL H 865     -45.554  68.958   8.540  1.00 94.33           C  
-ATOM    705  N   ALA H 866     -49.854  68.682   6.597  1.00 95.12           N  
-ATOM    706  CA  ALA H 866     -51.203  69.169   6.330  1.00 94.94           C  
-ATOM    707  C   ALA H 866     -52.131  68.240   7.103  1.00 95.05           C  
-ATOM    708  O   ALA H 866     -53.030  68.698   7.800  1.00 96.02           O  
-ATOM    709  CB  ALA H 866     -51.512  69.106   4.847  1.00 94.63           C  
-ATOM    710  N   GLU H 867     -51.870  66.937   6.994  1.00 94.23           N  
-ATOM    711  CA  GLU H 867     -52.643  65.902   7.662  1.00 93.95           C  
-ATOM    712  C   GLU H 867     -52.581  65.903   9.191  1.00 95.15           C  
-ATOM    713  O   GLU H 867     -53.610  65.732   9.819  1.00 95.26           O  
-ATOM    714  CB  GLU H 867     -52.222  64.542   7.139  1.00 94.98           C  
-ATOM    715  CG  GLU H 867     -52.204  64.477   5.620  1.00101.09           C  
-ATOM    716  CD  GLU H 867     -51.719  63.128   5.080  1.00104.16           C  
-ATOM    717  OE1 GLU H 867     -50.846  62.503   5.726  1.00105.93           O  
-ATOM    718  OE2 GLU H 867     -52.194  62.702   4.001  1.00104.19           O  
-ATOM    719  N   GLU H 868     -51.407  66.073   9.809  1.00 97.90           N  
-ATOM    720  CA  GLU H 868     -51.371  66.089  11.277  1.00 99.41           C  
-ATOM    721  C   GLU H 868     -52.231  67.235  11.764  1.00100.50           C  
-ATOM    722  O   GLU H 868     -53.005  67.076  12.706  1.00102.26           O  
-ATOM    723  CB  GLU H 868     -49.971  66.310  11.899  1.00101.14           C  
-ATOM    724  CG  GLU H 868     -50.054  66.172  13.499  1.00105.40           C  
-ATOM    725  CD  GLU H 868     -49.211  67.161  14.386  1.00104.33           C  
-ATOM    726  OE1 GLU H 868     -49.489  68.394  14.432  1.00100.30           O  
-ATOM    727  OE2 GLU H 868     -48.281  66.670  15.067  1.00100.31           O  
-ATOM    728  N   VAL H 869     -52.083  68.400  11.141  1.00100.82           N  
-ATOM    729  CA  VAL H 869     -52.860  69.554  11.562  1.00101.55           C  
-ATOM    730  C   VAL H 869     -54.344  69.244  11.508  1.00102.11           C  
-ATOM    731  O   VAL H 869     -55.063  69.548  12.461  1.00102.98           O  
-ATOM    732  CB  VAL H 869     -52.540  70.805  10.726  1.00101.75           C  
-ATOM    733  CG1 VAL H 869     -53.495  71.932  11.088  1.00101.56           C  
-ATOM    734  CG2 VAL H 869     -51.118  71.255  11.018  1.00100.85           C  
-ATOM    735  N   ARG H 870     -54.810  68.637  10.416  1.00101.41           N  
-ATOM    736  CA  ARG H 870     -56.219  68.281  10.340  1.00101.72           C  
-ATOM    737  C   ARG H 870     -56.523  67.301  11.475  1.00102.44           C  
-ATOM    738  O   ARG H 870     -57.535  67.432  12.157  1.00103.58           O  
-ATOM    739  CB  ARG H 870     -56.564  67.635   9.003  1.00101.51           C  
-ATOM    740  CG  ARG H 870     -56.547  68.582   7.831  1.00104.52           C  
-ATOM    741  CD  ARG H 870     -57.443  68.075   6.713  1.00108.74           C  
-ATOM    742  NE  ARG H 870     -56.957  68.463   5.390  1.00113.89           N  
-ATOM    743  CZ  ARG H 870     -55.985  67.831   4.730  1.00116.46           C  
-ATOM    744  NH1 ARG H 870     -55.390  66.769   5.262  1.00117.55           N  
-ATOM    745  NH2 ARG H 870     -55.599  68.266   3.536  1.00117.56           N  
-ATOM    746  N   ALA H 871     -55.642  66.325  11.682  1.00102.22           N  
-ATOM    747  CA  ALA H 871     -55.824  65.350  12.751  1.00101.72           C  
-ATOM    748  C   ALA H 871     -56.179  66.069  14.045  1.00102.32           C  
-ATOM    749  O   ALA H 871     -57.351  66.210  14.359  1.00103.78           O  
-ATOM    750  CB  ALA H 871     -54.557  64.522  12.943  1.00100.86           C  
-ATOM    751  N   VAL H 872     -55.172  66.534  14.783  1.00103.15           N  
-ATOM    752  CA  VAL H 872     -55.370  67.240  16.064  1.00103.28           C  
-ATOM    753  C   VAL H 872     -56.587  68.174  16.062  1.00103.05           C  
-ATOM    754  O   VAL H 872     -57.109  68.564  17.112  1.00101.59           O  
-ATOM    755  CB  VAL H 872     -54.144  68.103  16.411  1.00103.81           C  
-ATOM    756  CG1 VAL H 872     -54.174  69.394  15.581  1.00103.04           C  
-ATOM    757  CG2 VAL H 872     -54.123  68.415  17.902  1.00103.68           C  
-ATOM    758  N   LEU H 873     -57.009  68.534  14.861  1.00102.61           N  
-ATOM    759  CA  LEU H 873     -58.130  69.425  14.636  1.00102.72           C  
-ATOM    760  C   LEU H 873     -59.481  68.722  14.853  1.00102.89           C  
-ATOM    761  O   LEU H 873     -60.536  69.338  14.707  1.00104.67           O  
-ATOM    762  CB  LEU H 873     -58.014  69.956  13.198  1.00102.35           C  
-ATOM    763  CG  LEU H 873     -58.521  71.328  12.775  1.00100.98           C  
-ATOM    764  CD1 LEU H 873     -59.934  71.222  12.228  1.00101.36           C  
-ATOM    765  CD2 LEU H 873     -58.410  72.278  13.966  1.00 99.87           C  
-ATOM    766  N   GLU H 874     -59.451  67.442  15.213  1.00101.95           N  
-ATOM    767  CA  GLU H 874     -60.680  66.683  15.412  1.00100.80           C  
-ATOM    768  C   GLU H 874     -61.349  66.866  16.763  1.00101.33           C  
-ATOM    769  O   GLU H 874     -61.015  66.209  17.750  1.00 97.39           O  
-ATOM    770  CB  GLU H 874     -60.421  65.209  15.147  1.00101.61           C  
-ATOM    771  CG  GLU H 874     -60.010  64.948  13.695  1.00104.89           C  
-ATOM    772  CD  GLU H 874     -61.070  64.215  12.872  1.00106.61           C  
-ATOM    773  OE1 GLU H 874     -61.034  62.960  12.832  1.00106.66           O  
-ATOM    774  OE2 GLU H 874     -61.937  64.895  12.270  1.00107.60           O  
-ATOM    775  N   LEU H 875     -62.311  67.793  16.764  1.00103.93           N  
-ATOM    776  CA  LEU H 875     -63.127  68.159  17.929  1.00102.89           C  
-ATOM    777  C   LEU H 875     -64.049  69.372  17.608  1.00 99.88           C  
-ATOM    778  O   LEU H 875     -63.617  70.511  17.711  1.00 99.03           O  
-ATOM    779  CB  LEU H 875     -62.209  68.471  19.123  1.00102.79           C  
-ATOM    780  CG  LEU H 875     -62.861  68.054  20.437  1.00105.41           C  
-ATOM    781  CD1 LEU H 875     -63.921  69.089  20.873  1.00104.67           C  
-ATOM    782  CD2 LEU H 875     -63.488  66.661  20.240  1.00105.04           C  
-ATOM    783  N   GLY H 876     -65.302  69.126  17.208  1.00 97.06           N  
-ATOM    784  CA  GLY H 876     -66.196  70.232  16.888  1.00 95.68           C  
-ATOM    785  C   GLY H 876     -67.660  69.909  16.602  1.00 95.28           C  
-ATOM    786  O   GLY H 876     -67.943  69.168  15.638  1.00 94.36           O  

Deleted: SwiftApps/modFTDock/input/2of5-9.pdb
===================================================================
--- SwiftApps/modFTDock/input/2of5-9.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/2of5-9.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,786 +0,0 @@
-ATOM      1  N   MET I 777     -42.241 113.758   3.120  1.00180.54           N  
-ATOM      2  CA  MET I 777     -41.963 115.154   3.575  1.00181.13           C  
-ATOM      3  C   MET I 777     -42.104 116.181   2.449  1.00180.60           C  
-ATOM      4  O   MET I 777     -42.687 115.900   1.401  1.00180.44           O  
-ATOM      5  CB  MET I 777     -40.547 115.258   4.152  1.00181.94           C  
-ATOM      6  CG  MET I 777     -40.322 114.542   5.474  1.00182.93           C  
-ATOM      7  SD  MET I 777     -38.680 114.929   6.158  1.00184.15           S  
-ATOM      8  CE  MET I 777     -39.065 116.368   7.192  1.00183.15           C  
-ATOM      9  N   ASN I 778     -41.559 117.375   2.685  1.00180.02           N  
-ATOM     10  CA  ASN I 778     -41.588 118.470   1.713  1.00179.21           C  
-ATOM     11  C   ASN I 778     -40.762 118.075   0.490  1.00178.63           C  
-ATOM     12  O   ASN I 778     -40.412 118.924  -0.336  1.00178.72           O  
-ATOM     13  CB  ASN I 778     -40.974 119.746   2.315  1.00179.08           C  
-ATOM     14  CG  ASN I 778     -41.582 120.125   3.654  1.00178.81           C  
-ATOM     15  OD1 ASN I 778     -41.573 119.337   4.601  1.00178.61           O  
-ATOM     16  ND2 ASN I 778     -42.103 121.343   3.743  1.00178.22           N  
-ATOM     17  N   LEU I 779     -40.447 116.785   0.386  1.00177.36           N  
-ATOM     18  CA  LEU I 779     -39.638 116.269  -0.712  1.00175.63           C  
-ATOM     19  C   LEU I 779     -40.372 116.328  -2.045  1.00174.58           C  
-ATOM     20  O   LEU I 779     -41.191 115.464  -2.361  1.00174.18           O  
-ATOM     21  CB  LEU I 779     -39.205 114.831  -0.410  1.00174.80           C  
-ATOM     22  CG  LEU I 779     -37.827 114.416  -0.937  1.00173.82           C  
-ATOM     23  CD1 LEU I 779     -37.843 114.332  -2.449  1.00173.02           C  
-ATOM     24  CD2 LEU I 779     -36.782 115.419  -0.461  1.00172.92           C  
-ATOM     25  N   GLY I 780     -40.062 117.361  -2.822  1.00173.37           N  
-ATOM     26  CA  GLY I 780     -40.688 117.539  -4.115  1.00172.22           C  
-ATOM     27  C   GLY I 780     -41.172 118.961  -4.299  1.00172.09           C  
-ATOM     28  O   GLY I 780     -41.807 119.526  -3.408  1.00172.01           O  
-ATOM     29  N   ASP I 781     -40.864 119.547  -5.453  1.00172.05           N  
-ATOM     30  CA  ASP I 781     -41.282 120.912  -5.757  1.00171.46           C  
-ATOM     31  C   ASP I 781     -42.515 120.867  -6.655  1.00171.23           C  
-ATOM     32  O   ASP I 781     -42.747 119.880  -7.357  1.00171.11           O  
-ATOM     33  CB  ASP I 781     -40.148 121.689  -6.450  1.00170.86           C  
-ATOM     34  CG  ASP I 781     -40.001 121.339  -7.923  1.00170.27           C  
-ATOM     35  OD1 ASP I 781     -39.731 120.163  -8.251  1.00169.76           O  
-ATOM     36  OD2 ASP I 781     -40.153 122.254  -8.758  1.00169.72           O  
-ATOM     37  N   ALA I 782     -43.304 121.937  -6.623  1.00170.84           N  
-ATOM     38  CA  ALA I 782     -44.524 122.031  -7.423  1.00170.14           C  
-ATOM     39  C   ALA I 782     -44.340 121.543  -8.862  1.00169.52           C  
-ATOM     40  O   ALA I 782     -45.253 120.959  -9.450  1.00168.43           O  
-ATOM     41  CB  ALA I 782     -45.030 123.474  -7.422  1.00170.11           C  
-ATOM     42  N   GLU I 783     -43.157 121.782  -9.422  1.00169.46           N  
-ATOM     43  CA  GLU I 783     -42.859 121.376 -10.793  1.00168.84           C  
-ATOM     44  C   GLU I 783     -42.880 119.850 -10.895  1.00168.00           C  
-ATOM     45  O   GLU I 783     -43.927 119.254 -11.173  1.00168.24           O  
-ATOM     46  CB  GLU I 783     -41.484 121.915 -11.222  1.00168.96           C  
-ATOM     47  CG  GLU I 783     -41.317 122.126 -12.729  1.00169.50           C  
-ATOM     48  CD  GLU I 783     -41.986 123.402 -13.234  1.00169.80           C  
-ATOM     49  OE1 GLU I 783     -41.579 124.500 -12.797  1.00169.68           O  
-ATOM     50  OE2 GLU I 783     -42.914 123.309 -14.069  1.00169.76           O  
-ATOM     51  N   THR I 784     -41.727 119.226 -10.663  1.00166.18           N  
-ATOM     52  CA  THR I 784     -41.606 117.770 -10.724  1.00164.06           C  
-ATOM     53  C   THR I 784     -42.825 117.112 -10.077  1.00162.18           C  
-ATOM     54  O   THR I 784     -43.744 116.645 -10.758  1.00161.61           O  
-ATOM     55  CB  THR I 784     -40.343 117.285  -9.974  1.00164.47           C  
-ATOM     56  OG1 THR I 784     -39.212 118.073 -10.370  1.00164.62           O  
-ATOM     57  CG2 THR I 784     -40.070 115.816 -10.287  1.00163.85           C  
-ATOM     58  N   GLY I 785     -42.817 117.094  -8.749  1.00159.74           N  
-ATOM     59  CA  GLY I 785     -43.902 116.505  -7.992  1.00156.88           C  
-ATOM     60  C   GLY I 785     -43.460 116.413  -6.549  1.00155.20           C  
-ATOM     61  O   GLY I 785     -42.273 116.559  -6.256  1.00154.63           O  
-ATOM     62  N   PHE I 786     -44.403 116.177  -5.643  1.00153.50           N  
-ATOM     63  CA  PHE I 786     -44.074 116.068  -4.227  1.00151.44           C  
-ATOM     64  C   PHE I 786     -43.951 114.610  -3.797  1.00148.59           C  
-ATOM     65  O   PHE I 786     -43.989 113.698  -4.623  1.00148.12           O  
-ATOM     66  CB  PHE I 786     -45.147 116.753  -3.368  1.00153.55           C  
-ATOM     67  CG  PHE I 786     -45.233 118.242  -3.567  1.00155.98           C  
-ATOM     68  CD1 PHE I 786     -45.731 118.776  -4.758  1.00156.29           C  
-ATOM     69  CD2 PHE I 786     -44.805 119.116  -2.564  1.00156.63           C  
-ATOM     70  CE1 PHE I 786     -45.806 120.159  -4.949  1.00156.18           C  
-ATOM     71  CE2 PHE I 786     -44.874 120.501  -2.745  1.00157.04           C  
-ATOM     72  CZ  PHE I 786     -45.375 121.023  -3.942  1.00156.48           C  
-ATOM     73  N   LEU I 787     -43.797 114.408  -2.494  1.00145.06           N  
-ATOM     74  CA  LEU I 787     -43.690 113.080  -1.918  1.00141.71           C  
-ATOM     75  C   LEU I 787     -43.990 113.168  -0.434  1.00140.34           C  
-ATOM     76  O   LEU I 787     -43.198 113.698   0.345  1.00140.01           O  
-ATOM     77  CB  LEU I 787     -42.293 112.503  -2.141  1.00140.75           C  
-ATOM     78  CG  LEU I 787     -41.977 111.964  -3.539  1.00139.32           C  
-ATOM     79  CD1 LEU I 787     -40.563 111.426  -3.541  1.00138.27           C  
-ATOM     80  CD2 LEU I 787     -42.963 110.872  -3.938  1.00137.43           C  
-ATOM     81  N   THR I 788     -45.152 112.654  -0.055  1.00138.55           N  
-ATOM     82  CA  THR I 788     -45.594 112.669   1.331  1.00138.07           C  
-ATOM     83  C   THR I 788     -44.855 111.615   2.121  1.00137.06           C  
-ATOM     84  O   THR I 788     -44.376 110.649   1.543  1.00137.82           O  
-ATOM     85  CB  THR I 788     -47.081 112.323   1.427  1.00139.00           C  
-ATOM     86  OG1 THR I 788     -47.326 111.128   0.675  1.00139.06           O  
-ATOM     87  CG2 THR I 788     -47.941 113.450   0.885  1.00139.82           C  
-ATOM     88  N   GLN I 789     -44.766 111.788   3.438  1.00135.63           N  
-ATOM     89  CA  GLN I 789     -44.120 110.780   4.271  1.00134.43           C  
-ATOM     90  C   GLN I 789     -44.771 109.451   3.932  1.00133.35           C  
-ATOM     91  O   GLN I 789     -44.133 108.406   3.992  1.00134.03           O  
-ATOM     92  CB  GLN I 789     -44.340 111.056   5.754  1.00134.77           C  
-ATOM     93  CG  GLN I 789     -43.277 111.912   6.392  1.00137.26           C  
-ATOM     94  CD  GLN I 789     -43.466 112.029   7.889  1.00138.31           C  
-ATOM     95  OE1 GLN I 789     -43.713 111.033   8.573  1.00138.17           O  
-ATOM     96  NE2 GLN I 789     -43.342 113.246   8.411  1.00139.18           N  
-ATOM     97  N   SER I 790     -46.053 109.506   3.578  1.00132.11           N  
-ATOM     98  CA  SER I 790     -46.814 108.314   3.214  1.00130.73           C  
-ATOM     99  C   SER I 790     -46.232 107.705   1.946  1.00128.88           C  
-ATOM    100  O   SER I 790     -46.243 106.491   1.766  1.00128.53           O  
-ATOM    101  CB  SER I 790     -48.288 108.669   2.991  1.00132.07           C  
-ATOM    102  OG  SER I 790     -49.063 107.512   2.713  1.00133.22           O  
-ATOM    103  N   ASN I 791     -45.737 108.558   1.060  1.00126.99           N  
-ATOM    104  CA  ASN I 791     -45.122 108.088  -0.168  1.00125.78           C  
-ATOM    105  C   ASN I 791     -43.728 107.546   0.166  1.00124.76           C  
-ATOM    106  O   ASN I 791     -43.286 106.553  -0.414  1.00125.18           O  
-ATOM    107  CB  ASN I 791     -45.010 109.234  -1.175  1.00126.48           C  
-ATOM    108  CG  ASN I 791     -46.318 109.530  -1.863  1.00126.51           C  
-ATOM    109  OD1 ASN I 791     -46.426 110.485  -2.633  1.00125.79           O  
-ATOM    110  ND2 ASN I 791     -47.322 108.704  -1.598  1.00126.46           N  
-ATOM    111  N   LEU I 792     -43.046 108.203   1.105  1.00122.30           N  
-ATOM    112  CA  LEU I 792     -41.710 107.795   1.536  1.00119.49           C  
-ATOM    113  C   LEU I 792     -41.787 106.434   2.211  1.00119.26           C  
-ATOM    114  O   LEU I 792     -40.980 105.540   1.943  1.00119.78           O  
-ATOM    115  CB  LEU I 792     -41.130 108.826   2.503  1.00116.69           C  
-ATOM    116  CG  LEU I 792     -39.948 109.615   1.942  1.00114.43           C  
-ATOM    117  CD1 LEU I 792     -40.300 110.112   0.560  1.00112.49           C  
-ATOM    118  CD2 LEU I 792     -39.594 110.769   2.864  1.00113.63           C  
-ATOM    119  N   LEU I 793     -42.764 106.285   3.094  1.00118.15           N  
-ATOM    120  CA  LEU I 793     -42.967 105.026   3.781  1.00116.79           C  
-ATOM    121  C   LEU I 793     -43.254 103.939   2.744  1.00116.02           C  
-ATOM    122  O   LEU I 793     -42.748 102.828   2.859  1.00115.86           O  
-ATOM    123  CB  LEU I 793     -44.130 105.150   4.770  1.00116.58           C  
-ATOM    124  CG  LEU I 793     -43.766 105.200   6.257  1.00116.21           C  
-ATOM    125  CD1 LEU I 793     -43.173 103.861   6.677  1.00117.87           C  
-ATOM    126  CD2 LEU I 793     -42.783 106.316   6.525  1.00116.02           C  
-ATOM    127  N   SER I 794     -44.059 104.260   1.731  1.00115.37           N  
-ATOM    128  CA  SER I 794     -44.382 103.292   0.674  1.00116.05           C  
-ATOM    129  C   SER I 794     -43.081 102.704   0.144  1.00115.24           C  
-ATOM    130  O   SER I 794     -43.014 101.537  -0.254  1.00116.13           O  
-ATOM    131  CB  SER I 794     -45.123 103.963  -0.496  1.00117.75           C  
-ATOM    132  OG  SER I 794     -46.375 104.499  -0.100  1.00120.09           O  
-ATOM    133  N   VAL I 795     -42.048 103.539   0.137  1.00113.02           N  
-ATOM    134  CA  VAL I 795     -40.741 103.135  -0.336  1.00108.76           C  
-ATOM    135  C   VAL I 795     -40.020 102.333   0.747  1.00105.89           C  
-ATOM    136  O   VAL I 795     -39.802 101.137   0.575  1.00104.36           O  
-ATOM    137  CB  VAL I 795     -39.923 104.376  -0.770  1.00108.06           C  
-ATOM    138  CG1 VAL I 795     -38.499 103.989  -1.114  1.00108.34           C  
-ATOM    139  CG2 VAL I 795     -40.579 105.005  -1.987  1.00106.06           C  
-ATOM    140  N   ALA I 796     -39.685 102.970   1.865  1.00103.40           N  
-ATOM    141  CA  ALA I 796     -38.986 102.284   2.955  1.00102.99           C  
-ATOM    142  C   ALA I 796     -39.473 100.849   3.203  1.00103.00           C  
-ATOM    143  O   ALA I 796     -38.677  99.946   3.466  1.00103.03           O  
-ATOM    144  CB  ALA I 796     -39.101 103.093   4.235  1.00101.47           C  
-ATOM    145  N   GLY I 797     -40.781 100.640   3.117  1.00102.98           N  
-ATOM    146  CA  GLY I 797     -41.333  99.317   3.348  1.00101.19           C  
-ATOM    147  C   GLY I 797     -41.213  98.368   2.171  1.00100.23           C  
-ATOM    148  O   GLY I 797     -41.341  97.157   2.337  1.00100.68           O  
-ATOM    149  N   ARG I 798     -40.979  98.905   0.978  1.00 98.86           N  
-ATOM    150  CA  ARG I 798     -40.833  98.067  -0.202  1.00 96.61           C  
-ATOM    151  C   ARG I 798     -39.360  97.671  -0.383  1.00 94.26           C  
-ATOM    152  O   ARG I 798     -39.035  96.863  -1.244  1.00 92.52           O  
-ATOM    153  CB  ARG I 798     -41.328  98.815  -1.435  1.00 97.90           C  
-ATOM    154  CG  ARG I 798     -41.801  97.897  -2.541  1.00102.67           C  
-ATOM    155  CD  ARG I 798     -43.327  97.834  -2.600  1.00106.42           C  
-ATOM    156  NE  ARG I 798     -43.890  98.692  -3.650  1.00110.28           N  
-ATOM    157  CZ  ARG I 798     -43.640  98.546  -4.953  1.00111.67           C  
-ATOM    158  NH1 ARG I 798     -42.831  97.571  -5.357  1.00112.44           N  
-ATOM    159  NH2 ARG I 798     -44.197  99.362  -5.854  1.00109.15           N  
-ATOM    160  N   LEU I 799     -38.483  98.247   0.442  1.00 92.58           N  
-ATOM    161  CA  LEU I 799     -37.041  97.985   0.394  1.00 90.20           C  
-ATOM    162  C   LEU I 799     -36.601  96.905   1.361  1.00 89.98           C  
-ATOM    163  O   LEU I 799     -37.050  96.862   2.503  1.00 87.96           O  
-ATOM    164  CB  LEU I 799     -36.238  99.243   0.721  1.00 87.80           C  
-ATOM    165  CG  LEU I 799     -36.119 100.367  -0.294  1.00 85.50           C  
-ATOM    166  CD1 LEU I 799     -35.200 101.417   0.280  1.00 84.54           C  
-ATOM    167  CD2 LEU I 799     -35.581  99.837  -1.609  1.00 86.18           C  
-ATOM    168  N   GLY I 800     -35.679  96.066   0.895  1.00 91.17           N  
-ATOM    169  CA  GLY I 800     -35.174  94.969   1.702  1.00 91.67           C  
-ATOM    170  C   GLY I 800     -33.813  95.200   2.329  1.00 91.72           C  
-ATOM    171  O   GLY I 800     -33.616  96.169   3.069  1.00 92.07           O  
-ATOM    172  N   LEU I 801     -32.876  94.296   2.052  1.00 90.32           N  
-ATOM    173  CA  LEU I 801     -31.533  94.413   2.592  1.00 88.91           C  
-ATOM    174  C   LEU I 801     -30.653  95.146   1.599  1.00 89.49           C  
-ATOM    175  O   LEU I 801     -29.489  95.450   1.887  1.00 90.36           O  
-ATOM    176  CB  LEU I 801     -30.946  93.036   2.874  1.00 88.59           C  
-ATOM    177  CG  LEU I 801     -31.550  92.253   4.032  1.00 88.55           C  
-ATOM    178  CD1 LEU I 801     -30.773  90.964   4.232  1.00 88.34           C  
-ATOM    179  CD2 LEU I 801     -31.499  93.103   5.285  1.00 89.54           C  
-ATOM    180  N   ASP I 802     -31.210  95.414   0.421  1.00 88.57           N  
-ATOM    181  CA  ASP I 802     -30.477  96.130  -0.609  1.00 87.71           C  
-ATOM    182  C   ASP I 802     -30.570  97.613  -0.314  1.00 86.32           C  
-ATOM    183  O   ASP I 802     -30.231  98.451  -1.135  1.00 86.67           O  
-ATOM    184  CB  ASP I 802     -31.040  95.826  -2.007  1.00 89.25           C  
-ATOM    185  CG  ASP I 802     -32.562  95.978  -2.093  1.00 91.31           C  
-ATOM    186  OD1 ASP I 802     -33.093  95.818  -3.221  1.00 90.93           O  
-ATOM    187  OD2 ASP I 802     -33.222  96.240  -1.056  1.00 89.72           O  
-ATOM    188  N   TRP I 803     -31.027  97.938   0.880  1.00 85.92           N  
-ATOM    189  CA  TRP I 803     -31.150  99.330   1.249  1.00 86.21           C  
-ATOM    190  C   TRP I 803     -29.816 100.063   1.019  1.00 85.67           C  
-ATOM    191  O   TRP I 803     -29.779 101.095   0.347  1.00 85.24           O  
-ATOM    192  CB  TRP I 803     -31.644  99.446   2.718  1.00 86.31           C  
-ATOM    193  CG  TRP I 803     -30.714 100.152   3.662  1.00 87.67           C  
-ATOM    194  CD1 TRP I 803     -30.069 101.350   3.461  1.00 89.46           C  
-ATOM    195  CD2 TRP I 803     -30.308  99.700   4.940  1.00 87.16           C  
-ATOM    196  NE1 TRP I 803     -29.279 101.662   4.539  1.00 88.22           N  
-ATOM    197  CE2 TRP I 803     -29.404 100.669   5.466  1.00 87.77           C  
-ATOM    198  CE3 TRP I 803     -30.612  98.575   5.699  1.00 88.59           C  
-ATOM    199  CZ2 TRP I 803     -28.807 100.542   6.710  1.00 88.76           C  
-ATOM    200  CZ3 TRP I 803     -30.019  98.444   6.942  1.00 92.98           C  
-ATOM    201  CH2 TRP I 803     -29.121  99.428   7.438  1.00 93.56           C  
-ATOM    202  N   PRO I 804     -28.701  99.525   1.549  1.00 85.30           N  
-ATOM    203  CA  PRO I 804     -27.391 100.163   1.388  1.00 84.13           C  
-ATOM    204  C   PRO I 804     -27.029 100.466  -0.060  1.00 84.47           C  
-ATOM    205  O   PRO I 804     -26.178 101.315  -0.334  1.00 83.07           O  
-ATOM    206  CB  PRO I 804     -26.446  99.161   2.030  1.00 85.03           C  
-ATOM    207  CG  PRO I 804     -27.307  98.501   3.059  1.00 84.81           C  
-ATOM    208  CD  PRO I 804     -28.557  98.254   2.277  1.00 84.35           C  
-ATOM    209  N   ALA I 805     -27.656  99.753  -0.989  1.00 84.32           N  
-ATOM    210  CA  ALA I 805     -27.402 100.004  -2.395  1.00 84.57           C  
-ATOM    211  C   ALA I 805     -28.011 101.374  -2.581  1.00 85.00           C  
-ATOM    212  O   ALA I 805     -27.306 102.358  -2.802  1.00 86.82           O  
-ATOM    213  CB  ALA I 805     -28.112  98.986  -3.261  1.00 83.24           C  
-ATOM    214  N   VAL I 806     -29.329 101.433  -2.444  1.00 84.48           N  
-ATOM    215  CA  VAL I 806     -30.057 102.684  -2.572  1.00 83.54           C  
-ATOM    216  C   VAL I 806     -29.325 103.789  -1.813  1.00 81.89           C  
-ATOM    217  O   VAL I 806     -29.138 104.879  -2.324  1.00 82.52           O  
-ATOM    218  CB  VAL I 806     -31.496 102.563  -2.005  1.00 83.06           C  
-ATOM    219  CG1 VAL I 806     -32.303 103.775  -2.392  1.00 81.39           C  
-ATOM    220  CG2 VAL I 806     -32.165 101.303  -2.524  1.00 81.90           C  
-ATOM    221  N   ALA I 807     -28.885 103.501  -0.602  1.00 80.73           N  
-ATOM    222  CA  ALA I 807     -28.204 104.520   0.173  1.00 81.94           C  
-ATOM    223  C   ALA I 807     -26.958 105.039  -0.513  1.00 82.31           C  
-ATOM    224  O   ALA I 807     -26.890 106.213  -0.866  1.00 81.53           O  
-ATOM    225  CB  ALA I 807     -27.854 103.989   1.551  1.00 83.00           C  
-ATOM    226  N   LEU I 808     -25.973 104.163  -0.694  1.00 84.03           N  
-ATOM    227  CA  LEU I 808     -24.709 104.538  -1.324  1.00 84.30           C  
-ATOM    228  C   LEU I 808     -24.940 105.248  -2.644  1.00 83.99           C  
-ATOM    229  O   LEU I 808     -24.208 106.171  -2.988  1.00 82.65           O  
-ATOM    230  CB  LEU I 808     -23.828 103.305  -1.552  1.00 84.54           C  
-ATOM    231  CG  LEU I 808     -23.409 102.497  -0.317  1.00 85.22           C  
-ATOM    232  CD1 LEU I 808     -22.535 101.339  -0.756  1.00 85.91           C  
-ATOM    233  CD2 LEU I 808     -22.656 103.370   0.670  1.00 84.93           C  
-ATOM    234  N   HIS I 809     -25.964 104.820  -3.375  1.00 84.61           N  
-ATOM    235  CA  HIS I 809     -26.282 105.426  -4.659  1.00 85.86           C  
-ATOM    236  C   HIS I 809     -26.832 106.821  -4.549  1.00 86.22           C  
-ATOM    237  O   HIS I 809     -26.787 107.570  -5.513  1.00 87.48           O  
-ATOM    238  CB  HIS I 809     -27.267 104.574  -5.439  1.00 87.26           C  
-ATOM    239  CG  HIS I 809     -26.613 103.708  -6.462  1.00 90.35           C  
-ATOM    240  ND1 HIS I 809     -26.550 102.337  -6.349  1.00 91.03           N  
-ATOM    241  CD2 HIS I 809     -25.949 104.026  -7.598  1.00 91.54           C  
-ATOM    242  CE1 HIS I 809     -25.876 101.847  -7.373  1.00 92.59           C  
-ATOM    243  NE2 HIS I 809     -25.499 102.851  -8.145  1.00 92.65           N  
-ATOM    244  N   LEU I 810     -27.367 107.162  -3.383  1.00 86.97           N  
-ATOM    245  CA  LEU I 810     -27.917 108.494  -3.149  1.00 86.42           C  
-ATOM    246  C   LEU I 810     -26.825 109.367  -2.583  1.00 86.34           C  
-ATOM    247  O   LEU I 810     -27.090 110.444  -2.068  1.00 87.05           O  
-ATOM    248  CB  LEU I 810     -29.066 108.457  -2.139  1.00 85.45           C  
-ATOM    249  CG  LEU I 810     -30.441 107.930  -2.548  1.00 84.88           C  
-ATOM    250  CD1 LEU I 810     -31.403 108.212  -1.403  1.00 84.41           C  
-ATOM    251  CD2 LEU I 810     -30.934 108.596  -3.827  1.00 83.94           C  
-ATOM    252  N   GLY I 811     -25.596 108.883  -2.660  1.00 86.33           N  
-ATOM    253  CA  GLY I 811     -24.482 109.644  -2.135  1.00 86.90           C  
-ATOM    254  C   GLY I 811     -24.281 109.428  -0.649  1.00 87.05           C  
-ATOM    255  O   GLY I 811     -23.344 109.970  -0.064  1.00 86.99           O  
-ATOM    256  N   VAL I 812     -25.148 108.632  -0.034  1.00 87.59           N  
-ATOM    257  CA  VAL I 812     -25.029 108.381   1.393  1.00 88.73           C  
-ATOM    258  C   VAL I 812     -23.696 107.745   1.713  1.00 88.80           C  
-ATOM    259  O   VAL I 812     -23.361 106.700   1.173  1.00 87.90           O  
-ATOM    260  CB  VAL I 812     -26.135 107.462   1.900  1.00 89.29           C  
-ATOM    261  CG1 VAL I 812     -26.175 107.513   3.409  1.00 89.13           C  
-ATOM    262  CG2 VAL I 812     -27.466 107.886   1.321  1.00 91.04           C  
-ATOM    263  N   SER I 813     -22.941 108.391   2.594  1.00 90.68           N  
-ATOM    264  CA  SER I 813     -21.628 107.901   2.992  1.00 92.78           C  
-ATOM    265  C   SER I 813     -21.731 106.475   3.460  1.00 93.04           C  
-ATOM    266  O   SER I 813     -22.770 106.076   3.962  1.00 94.22           O  
-ATOM    267  CB  SER I 813     -21.075 108.736   4.138  1.00 94.47           C  
-ATOM    268  OG  SER I 813     -20.045 108.017   4.797  1.00 95.26           O  
-ATOM    269  N   TYR I 814     -20.664 105.700   3.317  1.00 93.53           N  
-ATOM    270  CA  TYR I 814     -20.740 104.329   3.776  1.00 94.95           C  
-ATOM    271  C   TYR I 814     -20.578 104.254   5.293  1.00 96.77           C  
-ATOM    272  O   TYR I 814     -21.008 103.277   5.902  1.00 98.00           O  
-ATOM    273  CB  TYR I 814     -19.697 103.431   3.102  1.00 94.76           C  
-ATOM    274  CG  TYR I 814     -19.899 101.975   3.460  1.00 94.81           C  
-ATOM    275  CD1 TYR I 814     -21.082 101.315   3.114  1.00 95.60           C  
-ATOM    276  CD2 TYR I 814     -18.955 101.277   4.214  1.00 94.89           C  
-ATOM    277  CE1 TYR I 814     -21.330  99.985   3.517  1.00 95.62           C  
-ATOM    278  CE2 TYR I 814     -19.191  99.946   4.627  1.00 95.57           C  
-ATOM    279  CZ  TYR I 814     -20.382  99.307   4.273  1.00 95.50           C  
-ATOM    280  OH  TYR I 814     -20.623  97.999   4.659  1.00 93.16           O  
-ATOM    281  N   ARG I 815     -19.966 105.258   5.920  1.00 97.33           N  
-ATOM    282  CA  ARG I 815     -19.834 105.194   7.372  1.00 98.49           C  
-ATOM    283  C   ARG I 815     -21.210 105.520   7.948  1.00 98.53           C  
-ATOM    284  O   ARG I 815     -21.504 105.188   9.094  1.00 98.95           O  
-ATOM    285  CB  ARG I 815     -18.780 106.178   7.903  1.00100.12           C  
-ATOM    286  CG  ARG I 815     -18.087 105.743   9.223  1.00102.26           C  
-ATOM    287  CD  ARG I 815     -19.049 105.589  10.431  1.00107.06           C  
-ATOM    288  NE  ARG I 815     -19.709 106.848  10.831  1.00113.33           N  
-ATOM    289  CZ  ARG I 815     -20.539 107.003  11.875  1.00113.26           C  
-ATOM    290  NH1 ARG I 815     -21.081 108.196  12.133  1.00110.57           N  
-ATOM    291  NH2 ARG I 815     -20.825 105.977  12.669  1.00113.54           N  
-ATOM    292  N   GLU I 816     -22.062 106.157   7.148  1.00 98.82           N  
-ATOM    293  CA  GLU I 816     -23.413 106.484   7.602  1.00100.23           C  
-ATOM    294  C   GLU I 816     -24.280 105.244   7.474  1.00 99.86           C  
-ATOM    295  O   GLU I 816     -25.075 104.943   8.359  1.00100.27           O  
-ATOM    296  CB  GLU I 816     -24.020 107.632   6.783  1.00102.75           C  
-ATOM    297  CG  GLU I 816     -24.093 108.980   7.529  1.00105.11           C  
-ATOM    298  CD  GLU I 816     -25.184 109.035   8.604  1.00105.51           C  
-ATOM    299  OE1 GLU I 816     -26.386 109.051   8.237  1.00105.97           O  
-ATOM    300  OE2 GLU I 816     -24.834 109.066   9.809  1.00104.60           O  
-ATOM    301  N   VAL I 817     -24.133 104.531   6.364  1.00 99.30           N  
-ATOM    302  CA  VAL I 817     -24.881 103.303   6.162  1.00 99.48           C  
-ATOM    303  C   VAL I 817     -24.444 102.370   7.291  1.00100.89           C  
-ATOM    304  O   VAL I 817     -25.254 101.647   7.865  1.00101.86           O  
-ATOM    305  CB  VAL I 817     -24.524 102.646   4.820  1.00 98.29           C  
-ATOM    306  CG1 VAL I 817     -25.280 101.344   4.660  1.00 98.78           C  
-ATOM    307  CG2 VAL I 817     -24.845 103.581   3.687  1.00 97.90           C  
-ATOM    308  N   GLN I 818     -23.150 102.418   7.598  1.00101.49           N  
-ATOM    309  CA  GLN I 818     -22.517 101.612   8.642  1.00102.54           C  
-ATOM    310  C   GLN I 818     -23.094 101.972  10.000  1.00102.20           C  
-ATOM    311  O   GLN I 818     -23.506 101.107  10.760  1.00100.90           O  
-ATOM    312  CB  GLN I 818     -21.010 101.896   8.651  1.00105.15           C  
-ATOM    313  CG  GLN I 818     -20.120 100.837   9.289  1.00108.11           C  
-ATOM    314  CD  GLN I 818     -19.352 100.018   8.251  1.00110.49           C  
-ATOM    315  OE1 GLN I 818     -19.948  99.267   7.473  1.00112.02           O  
-ATOM    316  NE2 GLN I 818     -18.026 100.167   8.232  1.00109.91           N  
-ATOM    317  N   ARG I 819     -23.103 103.267  10.292  1.00104.35           N  
-ATOM    318  CA  ARG I 819     -23.614 103.806  11.554  1.00106.72           C  
-ATOM    319  C   ARG I 819     -25.109 103.509  11.729  1.00106.38           C  
-ATOM    320  O   ARG I 819     -25.523 102.950  12.746  1.00105.26           O  
-ATOM    321  CB  ARG I 819     -23.370 105.325  11.597  1.00108.94           C  
-ATOM    322  CG  ARG I 819     -23.896 106.032  12.843  1.00111.55           C  
-ATOM    323  CD  ARG I 819     -24.423 107.428  12.503  1.00112.98           C  
-ATOM    324  NE  ARG I 819     -25.623 107.738  13.282  1.00114.56           N  
-ATOM    325  CZ  ARG I 819     -26.760 108.207  12.767  1.00115.69           C  
-ATOM    326  NH1 ARG I 819     -26.868 108.433  11.461  1.00114.93           N  
-ATOM    327  NH2 ARG I 819     -27.800 108.438  13.560  1.00116.34           N  
-ATOM    328  N   ILE I 820     -25.910 103.899  10.739  1.00106.12           N  
-ATOM    329  CA  ILE I 820     -27.345 103.665  10.779  1.00106.05           C  
-ATOM    330  C   ILE I 820     -27.596 102.205  11.085  1.00107.54           C  
-ATOM    331  O   ILE I 820     -28.285 101.878  12.046  1.00108.12           O  
-ATOM    332  CB  ILE I 820     -28.017 103.988   9.438  1.00105.31           C  
-ATOM    333  CG1 ILE I 820     -27.955 105.491   9.177  1.00106.45           C  
-ATOM    334  CG2 ILE I 820     -29.458 103.498   9.445  1.00103.05           C  
-ATOM    335  CD1 ILE I 820     -28.550 105.921   7.836  1.00107.75           C  
-ATOM    336  N   ARG I 821     -27.030 101.325  10.268  1.00108.93           N  
-ATOM    337  CA  ARG I 821     -27.218  99.898  10.475  1.00110.36           C  
-ATOM    338  C   ARG I 821     -27.006  99.548  11.943  1.00112.91           C  
-ATOM    339  O   ARG I 821     -27.921  99.062  12.596  1.00115.08           O  
-ATOM    340  CB  ARG I 821     -26.254  99.074   9.613  1.00107.99           C  
-ATOM    341  CG  ARG I 821     -26.829  97.737   9.123  1.00104.18           C  
-ATOM    342  CD  ARG I 821     -25.784  96.639   9.138  1.00102.06           C  
-ATOM    343  NE  ARG I 821     -24.493  97.098   8.638  1.00100.59           N  
-ATOM    344  CZ  ARG I 821     -24.167  97.204   7.354  1.00101.43           C  
-ATOM    345  NH1 ARG I 821     -25.034  96.877   6.397  1.00101.43           N  
-ATOM    346  NH2 ARG I 821     -22.966  97.659   7.027  1.00101.91           N  
-ATOM    347  N   HIS I 822     -25.820  99.813  12.478  1.00114.83           N  
-ATOM    348  CA  HIS I 822     -25.556  99.474  13.874  1.00117.66           C  
-ATOM    349  C   HIS I 822     -26.459 100.129  14.907  1.00118.72           C  
-ATOM    350  O   HIS I 822     -26.870  99.493  15.875  1.00119.27           O  
-ATOM    351  CB  HIS I 822     -24.123  99.805  14.266  1.00119.35           C  
-ATOM    352  CG  HIS I 822     -23.861  99.611  15.725  1.00121.87           C  
-ATOM    353  ND1 HIS I 822     -23.805  98.363  16.310  1.00123.17           N  
-ATOM    354  CD2 HIS I 822     -23.708 100.506  16.730  1.00122.95           C  
-ATOM    355  CE1 HIS I 822     -23.628  98.497  17.612  1.00124.00           C  
-ATOM    356  NE2 HIS I 822     -23.567  99.788  17.893  1.00124.26           N  
-ATOM    357  N   GLU I 823     -26.747 101.406  14.709  1.00120.09           N  
-ATOM    358  CA  GLU I 823     -27.563 102.162  15.642  1.00120.99           C  
-ATOM    359  C   GLU I 823     -29.033 101.733  15.657  1.00120.62           C  
-ATOM    360  O   GLU I 823     -29.869 102.379  16.277  1.00120.47           O  
-ATOM    361  CB  GLU I 823     -27.421 103.646  15.305  1.00123.15           C  
-ATOM    362  CG  GLU I 823     -27.635 104.590  16.466  1.00125.28           C  
-ATOM    363  CD  GLU I 823     -28.995 105.234  16.419  1.00127.19           C  
-ATOM    364  OE1 GLU I 823     -29.299 105.894  15.396  1.00127.29           O  
-ATOM    365  OE2 GLU I 823     -29.754 105.080  17.401  1.00127.79           O  
-ATOM    366  N   PHE I 824     -29.336 100.632  14.979  1.00120.76           N  
-ATOM    367  CA  PHE I 824     -30.692 100.088  14.906  1.00120.98           C  
-ATOM    368  C   PHE I 824     -30.612  98.643  14.423  1.00120.79           C  
-ATOM    369  O   PHE I 824     -31.581  98.104  13.890  1.00120.16           O  
-ATOM    370  CB  PHE I 824     -31.546 100.863  13.900  1.00121.71           C  
-ATOM    371  CG  PHE I 824     -31.833 102.286  14.287  1.00123.19           C  
-ATOM    372  CD1 PHE I 824     -31.052 103.327  13.794  1.00124.01           C  
-ATOM    373  CD2 PHE I 824     -32.932 102.595  15.082  1.00123.71           C  
-ATOM    374  CE1 PHE I 824     -31.369 104.660  14.076  1.00123.78           C  
-ATOM    375  CE2 PHE I 824     -33.256 103.924  15.370  1.00124.42           C  
-ATOM    376  CZ  PHE I 824     -32.473 104.958  14.862  1.00124.51           C  
-ATOM    377  N   ARG I 825     -29.451  98.026  14.613  1.00121.12           N  
-ATOM    378  CA  ARG I 825     -29.187  96.660  14.162  1.00121.40           C  
-ATOM    379  C   ARG I 825     -30.287  95.626  14.350  1.00120.37           C  
-ATOM    380  O   ARG I 825     -30.539  94.815  13.463  1.00119.45           O  
-ATOM    381  CB  ARG I 825     -27.883  96.154  14.791  1.00122.98           C  
-ATOM    382  CG  ARG I 825     -27.786  96.318  16.295  1.00124.82           C  
-ATOM    383  CD  ARG I 825     -26.346  96.109  16.755  1.00126.94           C  
-ATOM    384  NE  ARG I 825     -26.225  96.041  18.209  1.00128.42           N  
-ATOM    385  CZ  ARG I 825     -26.553  97.025  19.039  1.00128.73           C  
-ATOM    386  NH1 ARG I 825     -27.030  98.172  18.570  1.00128.74           N  
-ATOM    387  NH2 ARG I 825     -26.404  96.859  20.345  1.00129.38           N  
-ATOM    388  N   ASP I 826     -30.942  95.649  15.500  1.00120.48           N  
-ATOM    389  CA  ASP I 826     -32.011  94.697  15.771  1.00119.34           C  
-ATOM    390  C   ASP I 826     -33.308  94.963  14.991  1.00116.38           C  
-ATOM    391  O   ASP I 826     -34.126  94.060  14.817  1.00114.94           O  
-ATOM    392  CB  ASP I 826     -32.290  94.629  17.294  1.00122.32           C  
-ATOM    393  CG  ASP I 826     -32.209  96.005  18.002  1.00125.27           C  
-ATOM    394  OD1 ASP I 826     -32.420  96.038  19.240  1.00125.61           O  
-ATOM    395  OD2 ASP I 826     -31.937  97.044  17.350  1.00126.80           O  
-ATOM    396  N   ASP I 827     -33.478  96.188  14.497  1.00113.93           N  
-ATOM    397  CA  ASP I 827     -34.687  96.555  13.763  1.00111.95           C  
-ATOM    398  C   ASP I 827     -34.439  97.002  12.324  1.00109.11           C  
-ATOM    399  O   ASP I 827     -34.287  98.192  12.051  1.00108.17           O  
-ATOM    400  CB  ASP I 827     -35.422  97.664  14.513  1.00114.30           C  
-ATOM    401  CG  ASP I 827     -36.803  97.939  13.945  1.00116.85           C  
-ATOM    402  OD1 ASP I 827     -37.505  98.817  14.502  1.00119.13           O  
-ATOM    403  OD2 ASP I 827     -37.188  97.281  12.948  1.00116.70           O  
-ATOM    404  N   LEU I 828     -34.431  96.048  11.402  1.00106.27           N  
-ATOM    405  CA  LEU I 828     -34.185  96.356  10.002  1.00104.33           C  
-ATOM    406  C   LEU I 828     -35.036  97.493   9.477  1.00104.64           C  
-ATOM    407  O   LEU I 828     -34.532  98.384   8.809  1.00106.17           O  
-ATOM    408  CB  LEU I 828     -34.409  95.122   9.125  1.00102.77           C  
-ATOM    409  CG  LEU I 828     -34.324  95.396   7.619  1.00100.32           C  
-ATOM    410  CD1 LEU I 828     -32.962  95.962   7.306  1.00100.20           C  
-ATOM    411  CD2 LEU I 828     -34.567  94.131   6.820  1.00 98.99           C  
-ATOM    412  N   ASP I 829     -36.326  97.466   9.780  1.00104.86           N  
-ATOM    413  CA  ASP I 829     -37.240  98.492   9.302  1.00105.31           C  
-ATOM    414  C   ASP I 829     -36.974  99.903   9.766  1.00106.05           C  
-ATOM    415  O   ASP I 829     -37.390 100.850   9.097  1.00105.66           O  
-ATOM    416  CB  ASP I 829     -38.670  98.132   9.662  1.00105.45           C  
-ATOM    417  CG  ASP I 829     -39.349  97.383   8.570  1.00106.35           C  
-ATOM    418  OD1 ASP I 829     -39.414  97.940   7.452  1.00105.72           O  
-ATOM    419  OD2 ASP I 829     -39.808  96.247   8.825  1.00107.39           O  
-ATOM    420  N   GLU I 830     -36.300 100.048  10.907  1.00106.56           N  
-ATOM    421  CA  GLU I 830     -36.003 101.370  11.445  1.00106.88           C  
-ATOM    422  C   GLU I 830     -34.812 101.933  10.709  1.00105.98           C  
-ATOM    423  O   GLU I 830     -34.634 103.143  10.632  1.00107.10           O  
-ATOM    424  CB  GLU I 830     -35.703 101.304  12.938  1.00109.38           C  
-ATOM    425  CG  GLU I 830     -35.755 102.664  13.622  1.00114.93           C  
-ATOM    426  CD  GLU I 830     -37.139 103.310  13.573  1.00118.22           C  
-ATOM    427  OE1 GLU I 830     -38.093 102.728  14.143  1.00119.82           O  
-ATOM    428  OE2 GLU I 830     -37.269 104.402  12.969  1.00119.15           O  
-ATOM    429  N   GLN I 831     -33.993 101.042  10.170  1.00104.59           N  
-ATOM    430  CA  GLN I 831     -32.836 101.455   9.398  1.00103.53           C  
-ATOM    431  C   GLN I 831     -33.301 102.059   8.082  1.00103.72           C  
-ATOM    432  O   GLN I 831     -33.013 103.213   7.797  1.00103.79           O  
-ATOM    433  CB  GLN I 831     -31.947 100.262   9.113  1.00102.41           C  
-ATOM    434  CG  GLN I 831     -31.193  99.764  10.313  1.00102.36           C  
-ATOM    435  CD  GLN I 831     -30.642  98.381  10.079  1.00102.50           C  
-ATOM    436  OE1 GLN I 831     -29.700  97.957  10.739  1.00103.38           O  
-ATOM    437  NE2 GLN I 831     -31.241  97.660   9.137  1.00101.22           N  
-ATOM    438  N   ILE I 832     -34.030 101.280   7.285  1.00104.57           N  
-ATOM    439  CA  ILE I 832     -34.521 101.759   5.998  1.00105.38           C  
-ATOM    440  C   ILE I 832     -35.243 103.082   6.118  1.00107.11           C  
-ATOM    441  O   ILE I 832     -35.266 103.861   5.171  1.00107.56           O  
-ATOM    442  CB  ILE I 832     -35.502 100.790   5.347  1.00104.81           C  
-ATOM    443  CG1 ILE I 832     -34.844  99.429   5.142  1.00106.12           C  
-ATOM    444  CG2 ILE I 832     -35.947 101.352   4.011  1.00104.14           C  
-ATOM    445  CD1 ILE I 832     -35.770  98.381   4.526  1.00106.30           C  
-ATOM    446  N   ARG I 833     -35.854 103.335   7.269  1.00109.40           N  
-ATOM    447  CA  ARG I 833     -36.560 104.591   7.449  1.00111.31           C  
-ATOM    448  C   ARG I 833     -35.620 105.710   7.887  1.00111.43           C  
-ATOM    449  O   ARG I 833     -35.623 106.781   7.290  1.00112.31           O  
-ATOM    450  CB  ARG I 833     -37.739 104.428   8.426  1.00113.05           C  
-ATOM    451  CG  ARG I 833     -39.005 103.853   7.747  1.00115.58           C  
-ATOM    452  CD  ARG I 833     -40.296 103.916   8.604  1.00117.86           C  
-ATOM    453  NE  ARG I 833     -40.292 103.000   9.748  1.00119.63           N  
-ATOM    454  CZ  ARG I 833     -39.843 103.306  10.965  1.00120.48           C  
-ATOM    455  NH1 ARG I 833     -39.361 104.518  11.224  1.00119.84           N  
-ATOM    456  NH2 ARG I 833     -39.852 102.385  11.922  1.00120.43           N  
-ATOM    457  N   HIS I 834     -34.797 105.475   8.901  1.00111.13           N  
-ATOM    458  CA  HIS I 834     -33.878 106.518   9.335  1.00111.35           C  
-ATOM    459  C   HIS I 834     -32.972 106.993   8.182  1.00109.94           C  
-ATOM    460  O   HIS I 834     -32.694 108.183   8.058  1.00110.30           O  
-ATOM    461  CB  HIS I 834     -33.031 106.018  10.506  1.00115.37           C  
-ATOM    462  CG  HIS I 834     -32.002 107.003  10.974  1.00121.58           C  
-ATOM    463  ND1 HIS I 834     -31.056 107.553  10.132  1.00123.56           N  
-ATOM    464  CD2 HIS I 834     -31.756 107.522  12.203  1.00124.25           C  
-ATOM    465  CE1 HIS I 834     -30.271 108.366  10.820  1.00124.61           C  
-ATOM    466  NE2 HIS I 834     -30.675 108.365  12.080  1.00125.68           N  
-ATOM    467  N   MET I 835     -32.524 106.070   7.334  1.00108.14           N  
-ATOM    468  CA  MET I 835     -31.652 106.409   6.201  1.00105.45           C  
-ATOM    469  C   MET I 835     -32.380 107.247   5.163  1.00105.58           C  
-ATOM    470  O   MET I 835     -31.898 108.304   4.765  1.00105.56           O  
-ATOM    471  CB  MET I 835     -31.110 105.124   5.548  1.00103.44           C  
-ATOM    472  CG  MET I 835     -30.261 105.274   4.272  1.00100.23           C  
-ATOM    473  SD  MET I 835     -31.176 105.661   2.732  1.00100.96           S  
-ATOM    474  CE  MET I 835     -32.033 104.128   2.326  1.00 98.31           C  
-ATOM    475  N   LEU I 836     -33.550 106.775   4.743  1.00106.45           N  
-ATOM    476  CA  LEU I 836     -34.359 107.447   3.729  1.00107.13           C  
-ATOM    477  C   LEU I 836     -34.917 108.820   4.111  1.00108.61           C  
-ATOM    478  O   LEU I 836     -35.039 109.694   3.261  1.00108.23           O  
-ATOM    479  CB  LEU I 836     -35.507 106.540   3.319  1.00105.74           C  
-ATOM    480  CG  LEU I 836     -35.940 106.764   1.883  1.00106.63           C  
-ATOM    481  CD1 LEU I 836     -34.750 106.537   0.958  1.00106.69           C  
-ATOM    482  CD2 LEU I 836     -37.068 105.818   1.544  1.00107.66           C  
-ATOM    483  N   PHE I 837     -35.264 109.011   5.381  1.00110.79           N  
-ATOM    484  CA  PHE I 837     -35.797 110.292   5.838  1.00112.35           C  
-ATOM    485  C   PHE I 837     -34.681 111.271   6.173  1.00112.90           C  
-ATOM    486  O   PHE I 837     -34.808 112.463   5.894  1.00114.22           O  
-ATOM    487  CB  PHE I 837     -36.712 110.095   7.052  1.00113.93           C  
-ATOM    488  CG  PHE I 837     -38.097 109.609   6.696  1.00116.27           C  
-ATOM    489  CD1 PHE I 837     -38.309 108.814   5.567  1.00117.33           C  
-ATOM    490  CD2 PHE I 837     -39.187 109.919   7.499  1.00116.26           C  
-ATOM    491  CE1 PHE I 837     -39.582 108.337   5.248  1.00116.60           C  
-ATOM    492  CE2 PHE I 837     -40.462 109.443   7.183  1.00116.40           C  
-ATOM    493  CZ  PHE I 837     -40.654 108.651   6.054  1.00116.04           C  
-ATOM    494  N   SER I 838     -33.597 110.776   6.774  1.00112.50           N  
-ATOM    495  CA  SER I 838     -32.451 111.629   7.108  1.00112.09           C  
-ATOM    496  C   SER I 838     -31.961 112.308   5.832  1.00111.61           C  
-ATOM    497  O   SER I 838     -31.552 113.472   5.840  1.00111.54           O  
-ATOM    498  CB  SER I 838     -31.299 110.800   7.692  1.00111.90           C  
-ATOM    499  OG  SER I 838     -31.466 110.583   9.077  1.00112.06           O  
-ATOM    500  N   TRP I 839     -32.008 111.552   4.740  1.00110.16           N  
-ATOM    501  CA  TRP I 839     -31.577 112.019   3.437  1.00108.04           C  
-ATOM    502  C   TRP I 839     -32.624 112.894   2.782  1.00109.40           C  
-ATOM    503  O   TRP I 839     -32.286 113.867   2.119  1.00110.15           O  
-ATOM    504  CB  TRP I 839     -31.293 110.830   2.535  1.00103.99           C  
-ATOM    505  CG  TRP I 839     -31.109 111.216   1.118  1.00 99.13           C  
-ATOM    506  CD1 TRP I 839     -29.943 111.557   0.508  1.00 98.97           C  
-ATOM    507  CD2 TRP I 839     -32.128 111.315   0.125  1.00 95.35           C  
-ATOM    508  NE1 TRP I 839     -30.171 111.859  -0.811  1.00 96.66           N  
-ATOM    509  CE2 TRP I 839     -31.506 111.718  -1.071  1.00 94.74           C  
-ATOM    510  CE3 TRP I 839     -33.505 111.100   0.131  1.00 93.47           C  
-ATOM    511  CZ2 TRP I 839     -32.213 111.911  -2.252  1.00 94.25           C  
-ATOM    512  CZ3 TRP I 839     -34.208 111.289  -1.041  1.00 93.94           C  
-ATOM    513  CH2 TRP I 839     -33.562 111.691  -2.220  1.00 94.49           C  
-ATOM    514  N   ALA I 840     -33.893 112.536   2.947  1.00111.24           N  
-ATOM    515  CA  ALA I 840     -34.986 113.310   2.360  1.00113.20           C  
-ATOM    516  C   ALA I 840     -34.981 114.744   2.900  1.00114.58           C  
-ATOM    517  O   ALA I 840     -35.457 115.677   2.236  1.00113.31           O  
-ATOM    518  CB  ALA I 840     -36.316 112.639   2.662  1.00113.63           C  
-ATOM    519  N   GLU I 841     -34.435 114.896   4.108  1.00116.32           N  
-ATOM    520  CA  GLU I 841     -34.324 116.187   4.781  1.00117.80           C  
-ATOM    521  C   GLU I 841     -33.188 117.022   4.219  1.00118.29           C  
-ATOM    522  O   GLU I 841     -33.396 118.172   3.840  1.00118.79           O  
-ATOM    523  CB  GLU I 841     -34.089 115.996   6.275  1.00118.60           C  
-ATOM    524  CG  GLU I 841     -35.345 115.794   7.090  1.00120.64           C  
-ATOM    525  CD  GLU I 841     -35.045 115.763   8.573  1.00121.64           C  
-ATOM    526  OE1 GLU I 841     -34.239 116.608   9.027  1.00121.21           O  
-ATOM    527  OE2 GLU I 841     -35.615 114.902   9.280  1.00122.12           O  
-ATOM    528  N   ARG I 842     -31.987 116.445   4.183  1.00118.61           N  
-ATOM    529  CA  ARG I 842     -30.815 117.136   3.657  1.00119.42           C  
-ATOM    530  C   ARG I 842     -31.186 117.785   2.334  1.00120.16           C  
-ATOM    531  O   ARG I 842     -30.580 118.772   1.927  1.00121.85           O  
-ATOM    532  CB  ARG I 842     -29.658 116.156   3.425  1.00120.13           C  
-ATOM    533  CG  ARG I 842     -29.076 115.535   4.682  1.00120.39           C  
-ATOM    534  CD  ARG I 842     -28.263 114.301   4.338  1.00120.36           C  
-ATOM    535  NE  ARG I 842     -28.347 113.311   5.409  1.00120.99           N  
-ATOM    536  CZ  ARG I 842     -28.433 111.999   5.208  1.00121.53           C  
-ATOM    537  NH1 ARG I 842     -28.447 111.518   3.968  1.00121.02           N  
-ATOM    538  NH2 ARG I 842     -28.518 111.169   6.246  1.00121.03           N  
-ATOM    539  N   GLN I 843     -32.184 117.218   1.666  1.00120.15           N  
-ATOM    540  CA  GLN I 843     -32.656 117.735   0.389  1.00120.78           C  
-ATOM    541  C   GLN I 843     -33.812 118.706   0.619  1.00122.23           C  
-ATOM    542  O   GLN I 843     -34.775 118.729  -0.153  1.00123.19           O  
-ATOM    543  CB  GLN I 843     -33.124 116.578  -0.497  1.00120.39           C  
-ATOM    544  CG  GLN I 843     -32.280 116.312  -1.742  1.00116.57           C  
-ATOM    545  CD  GLN I 843     -30.817 116.144  -1.437  1.00113.58           C  
-ATOM    546  OE1 GLN I 843     -30.446 115.575  -0.417  1.00111.18           O  
-ATOM    547  NE2 GLN I 843     -29.974 116.629  -2.331  1.00113.38           N  
-ATOM    548  N   ALA I 844     -33.709 119.494   1.689  1.00123.30           N  
-ATOM    549  CA  ALA I 844     -34.719 120.487   2.058  1.00123.67           C  
-ATOM    550  C   ALA I 844     -35.361 121.106   0.812  1.00124.19           C  
-ATOM    551  O   ALA I 844     -36.448 120.692   0.383  1.00123.74           O  
-ATOM    552  CB  ALA I 844     -34.076 121.583   2.925  1.00122.44           C  
-ATOM    553  N   GLY I 845     -34.693 122.105   0.240  1.00123.80           N  
-ATOM    554  CA  GLY I 845     -35.218 122.722  -0.958  1.00123.91           C  
-ATOM    555  C   GLY I 845     -34.895 121.763  -2.080  1.00124.70           C  
-ATOM    556  O   GLY I 845     -35.560 120.742  -2.244  1.00124.78           O  
-ATOM    557  N   GLN I 846     -33.858 122.103  -2.839  1.00125.83           N  
-ATOM    558  CA  GLN I 846     -33.352 121.304  -3.950  1.00126.07           C  
-ATOM    559  C   GLN I 846     -34.306 120.905  -5.069  1.00126.53           C  
-ATOM    560  O   GLN I 846     -35.449 120.523  -4.834  1.00126.18           O  
-ATOM    561  CB  GLN I 846     -32.661 120.063  -3.397  1.00126.84           C  
-ATOM    562  CG  GLN I 846     -31.560 120.407  -2.410  1.00127.39           C  
-ATOM    563  CD  GLN I 846     -30.863 121.708  -2.762  1.00127.02           C  
-ATOM    564  OE1 GLN I 846     -30.505 121.944  -3.915  1.00125.85           O  
-ATOM    565  NE2 GLN I 846     -30.666 122.560  -1.766  1.00127.78           N  
-ATOM    566  N   PRO I 847     -33.815 120.967  -6.316  1.00127.63           N  
-ATOM    567  CA  PRO I 847     -34.514 120.647  -7.564  1.00128.66           C  
-ATOM    568  C   PRO I 847     -35.108 119.245  -7.653  1.00129.36           C  
-ATOM    569  O   PRO I 847     -35.938 118.866  -6.824  1.00130.39           O  
-ATOM    570  CB  PRO I 847     -33.441 120.885  -8.621  1.00128.47           C  
-ATOM    571  CG  PRO I 847     -32.202 120.498  -7.905  1.00128.52           C  
-ATOM    572  CD  PRO I 847     -32.387 121.198  -6.585  1.00128.07           C  
-ATOM    573  N   GLY I 848     -34.678 118.491  -8.666  1.00128.96           N  
-ATOM    574  CA  GLY I 848     -35.180 117.140  -8.881  1.00128.18           C  
-ATOM    575  C   GLY I 848     -34.663 116.091  -7.912  1.00127.15           C  
-ATOM    576  O   GLY I 848     -34.261 114.997  -8.319  1.00126.78           O  
-ATOM    577  N   ALA I 849     -34.675 116.430  -6.626  1.00125.77           N  
-ATOM    578  CA  ALA I 849     -34.221 115.530  -5.578  1.00123.88           C  
-ATOM    579  C   ALA I 849     -35.087 114.279  -5.584  1.00122.71           C  
-ATOM    580  O   ALA I 849     -34.748 113.269  -4.966  1.00122.96           O  
-ATOM    581  CB  ALA I 849     -34.303 116.223  -4.229  1.00123.98           C  
-ATOM    582  N   VAL I 850     -36.220 114.358  -6.272  1.00120.60           N  
-ATOM    583  CA  VAL I 850     -37.110 113.218  -6.376  1.00119.67           C  
-ATOM    584  C   VAL I 850     -36.579 112.351  -7.510  1.00119.62           C  
-ATOM    585  O   VAL I 850     -36.685 111.120  -7.484  1.00120.15           O  
-ATOM    586  CB  VAL I 850     -38.548 113.661  -6.673  1.00118.94           C  
-ATOM    587  CG1 VAL I 850     -39.379 112.484  -7.151  1.00119.07           C  
-ATOM    588  CG2 VAL I 850     -39.163 114.233  -5.419  1.00118.91           C  
-ATOM    589  N   GLY I 851     -35.993 113.002  -8.506  1.00118.74           N  
-ATOM    590  CA  GLY I 851     -35.427 112.263  -9.613  1.00117.30           C  
-ATOM    591  C   GLY I 851     -34.255 111.449  -9.098  1.00116.36           C  
-ATOM    592  O   GLY I 851     -33.963 110.377  -9.626  1.00116.92           O  
-ATOM    593  N   LEU I 852     -33.584 111.960  -8.065  1.00114.27           N  
-ATOM    594  CA  LEU I 852     -32.443 111.274  -7.471  1.00112.14           C  
-ATOM    595  C   LEU I 852     -32.886 109.981  -6.817  1.00111.02           C  
-ATOM    596  O   LEU I 852     -32.213 108.956  -6.924  1.00110.76           O  
-ATOM    597  CB  LEU I 852     -31.773 112.158  -6.423  1.00112.37           C  
-ATOM    598  CG  LEU I 852     -31.048 113.392  -6.945  1.00112.03           C  
-ATOM    599  CD1 LEU I 852     -30.270 114.047  -5.807  1.00110.42           C  
-ATOM    600  CD2 LEU I 852     -30.112 112.976  -8.075  1.00111.64           C  
-ATOM    601  N   LEU I 853     -34.017 110.039  -6.126  1.00109.62           N  
-ATOM    602  CA  LEU I 853     -34.557 108.864  -5.465  1.00108.64           C  
-ATOM    603  C   LEU I 853     -34.878 107.830  -6.534  1.00108.17           C  
-ATOM    604  O   LEU I 853     -34.542 106.655  -6.402  1.00108.85           O  
-ATOM    605  CB  LEU I 853     -35.835 109.217  -4.711  1.00107.86           C  
-ATOM    606  CG  LEU I 853     -36.419 108.103  -3.844  1.00106.90           C  
-ATOM    607  CD1 LEU I 853     -35.605 107.994  -2.566  1.00106.82           C  
-ATOM    608  CD2 LEU I 853     -37.864 108.402  -3.513  1.00105.18           C  
-ATOM    609  N   VAL I 854     -35.525 108.280  -7.600  1.00106.62           N  
-ATOM    610  CA  VAL I 854     -35.898 107.395  -8.690  1.00107.34           C  
-ATOM    611  C   VAL I 854     -34.695 106.784  -9.414  1.00108.23           C  
-ATOM    612  O   VAL I 854     -34.695 105.593  -9.732  1.00109.07           O  
-ATOM    613  CB  VAL I 854     -36.788 108.143  -9.714  1.00107.15           C  
-ATOM    614  CG1 VAL I 854     -37.200 107.217 -10.860  1.00105.98           C  
-ATOM    615  CG2 VAL I 854     -38.014 108.677  -9.012  1.00108.46           C  
-ATOM    616  N   GLN I 855     -33.670 107.591  -9.675  1.00108.77           N  
-ATOM    617  CA  GLN I 855     -32.484 107.105 -10.379  1.00107.79           C  
-ATOM    618  C   GLN I 855     -31.709 106.140  -9.484  1.00106.09           C  
-ATOM    619  O   GLN I 855     -31.142 105.165  -9.967  1.00105.67           O  
-ATOM    620  CB  GLN I 855     -31.598 108.287 -10.800  1.00109.51           C  
-ATOM    621  CG  GLN I 855     -30.546 107.969 -11.862  1.00112.50           C  
-ATOM    622  CD  GLN I 855     -29.536 109.102 -12.049  1.00114.97           C  
-ATOM    623  OE1 GLN I 855     -28.577 108.982 -12.816  1.00115.84           O  
-ATOM    624  NE2 GLN I 855     -29.748 110.206 -11.341  1.00116.95           N  
-ATOM    625  N   ALA I 856     -31.692 106.406  -8.180  1.00103.84           N  
-ATOM    626  CA  ALA I 856     -30.997 105.526  -7.251  1.00103.27           C  
-ATOM    627  C   ALA I 856     -31.695 104.174  -7.295  1.00103.55           C  
-ATOM    628  O   ALA I 856     -31.104 103.171  -7.693  1.00104.27           O  
-ATOM    629  CB  ALA I 856     -31.041 106.093  -5.847  1.00102.18           C  
-ATOM    630  N   LEU I 857     -32.960 104.149  -6.891  1.00102.93           N  
-ATOM    631  CA  LEU I 857     -33.730 102.913  -6.917  1.00102.29           C  
-ATOM    632  C   LEU I 857     -33.521 102.175  -8.240  1.00102.39           C  
-ATOM    633  O   LEU I 857     -33.678 100.962  -8.314  1.00103.51           O  
-ATOM    634  CB  LEU I 857     -35.229 103.200  -6.761  1.00100.50           C  
-ATOM    635  CG  LEU I 857     -35.781 103.748  -5.449  1.00 99.23           C  
-ATOM    636  CD1 LEU I 857     -37.274 103.791  -5.558  1.00 99.29           C  
-ATOM    637  CD2 LEU I 857     -35.397 102.867  -4.285  1.00 99.94           C  
-ATOM    638  N   GLU I 858     -33.160 102.911  -9.282  1.00102.09           N  
-ATOM    639  CA  GLU I 858     -32.982 102.328 -10.602  1.00101.68           C  
-ATOM    640  C   GLU I 858     -31.656 101.626 -10.802  1.00 99.77           C  
-ATOM    641  O   GLU I 858     -31.593 100.609 -11.495  1.00 98.95           O  
-ATOM    642  CB  GLU I 858     -33.145 103.414 -11.650  1.00105.90           C  
-ATOM    643  CG  GLU I 858     -33.568 102.911 -13.003  1.00110.88           C  
-ATOM    644  CD  GLU I 858     -34.392 103.954 -13.729  1.00114.36           C  
-ATOM    645  OE1 GLU I 858     -35.422 104.389 -13.156  1.00115.48           O  
-ATOM    646  OE2 GLU I 858     -34.012 104.342 -14.860  1.00116.09           O  
-ATOM    647  N   GLN I 859     -30.596 102.181 -10.220  1.00 97.75           N  
-ATOM    648  CA  GLN I 859     -29.277 101.576 -10.329  1.00 95.59           C  
-ATOM    649  C   GLN I 859     -29.048 100.682  -9.136  1.00 94.43           C  
-ATOM    650  O   GLN I 859     -27.951 100.181  -8.911  1.00 93.83           O  
-ATOM    651  CB  GLN I 859     -28.183 102.631 -10.400  1.00 96.60           C  
-ATOM    652  CG  GLN I 859     -28.633 104.044 -10.171  1.00 97.93           C  
-ATOM    653  CD  GLN I 859     -27.658 105.026 -10.771  1.00 99.06           C  
-ATOM    654  OE1 GLN I 859     -27.431 105.011 -11.984  1.00 99.39           O  
-ATOM    655  NE2 GLN I 859     -27.064 105.878  -9.934  1.00 99.18           N  
-ATOM    656  N   SER I 860     -30.104 100.511  -8.355  1.00 93.92           N  
-ATOM    657  CA  SER I 860     -30.074  99.641  -7.199  1.00 93.04           C  
-ATOM    658  C   SER I 860     -30.911  98.441  -7.627  1.00 92.90           C  
-ATOM    659  O   SER I 860     -31.466  97.725  -6.814  1.00 91.44           O  
-ATOM    660  CB  SER I 860     -30.684 100.348  -5.982  1.00 93.12           C  
-ATOM    661  OG  SER I 860     -29.769 101.265  -5.390  1.00 89.71           O  
-ATOM    662  N   ASP I 861     -30.983  98.254  -8.940  1.00 95.66           N  
-ATOM    663  CA  ASP I 861     -31.726  97.172  -9.578  1.00 99.24           C  
-ATOM    664  C   ASP I 861     -33.182  97.015  -9.148  1.00100.87           C  
-ATOM    665  O   ASP I 861     -33.732  95.912  -9.185  1.00101.01           O  
-ATOM    666  CB  ASP I 861     -30.994  95.843  -9.386  1.00101.17           C  
-ATOM    667  CG  ASP I 861     -30.346  95.346 -10.670  1.00103.20           C  
-ATOM    668  OD1 ASP I 861     -31.004  95.439 -11.731  1.00103.86           O  
-ATOM    669  OD2 ASP I 861     -29.193  94.855 -10.621  1.00103.76           O  
-ATOM    670  N   ARG I 862     -33.812  98.123  -8.769  1.00102.84           N  
-ATOM    671  CA  ARG I 862     -35.201  98.098  -8.333  1.00104.25           C  
-ATOM    672  C   ARG I 862     -36.127  99.018  -9.138  1.00106.17           C  
-ATOM    673  O   ARG I 862     -36.696  99.970  -8.595  1.00106.30           O  
-ATOM    674  CB  ARG I 862     -35.274  98.458  -6.851  1.00103.52           C  
-ATOM    675  CG  ARG I 862     -34.342  97.631  -5.989  1.00103.91           C  
-ATOM    676  CD  ARG I 862     -34.872  96.217  -5.719  1.00104.29           C  
-ATOM    677  NE  ARG I 862     -35.689  96.179  -4.506  1.00102.45           N  
-ATOM    678  CZ  ARG I 862     -37.007  96.337  -4.481  1.00100.40           C  
-ATOM    679  NH1 ARG I 862     -37.675  96.532  -5.608  1.00 99.68           N  
-ATOM    680  NH2 ARG I 862     -37.648  96.331  -3.323  1.00 98.26           N  
-ATOM    681  N   GLN I 863     -36.260  98.734 -10.436  1.00108.22           N  
-ATOM    682  CA  GLN I 863     -37.161  99.478 -11.321  1.00109.85           C  
-ATOM    683  C   GLN I 863     -38.461  99.379 -10.545  1.00111.40           C  
-ATOM    684  O   GLN I 863     -39.305 100.270 -10.540  1.00111.28           O  
-ATOM    685  CB  GLN I 863     -37.320  98.731 -12.638  1.00110.30           C  
-ATOM    686  CG  GLN I 863     -37.897  99.559 -13.735  1.00112.18           C  
-ATOM    687  CD  GLN I 863     -36.891 100.547 -14.248  1.00114.38           C  
-ATOM    688  OE1 GLN I 863     -37.241 101.499 -14.943  1.00116.11           O  
-ATOM    689  NE2 GLN I 863     -35.619 100.324 -13.915  1.00114.29           N  
-ATOM    690  N   ASP I 864     -38.568  98.226  -9.899  1.00114.05           N  
-ATOM    691  CA  ASP I 864     -39.649  97.820  -9.023  1.00115.18           C  
-ATOM    692  C   ASP I 864     -40.263  99.060  -8.380  1.00114.57           C  
-ATOM    693  O   ASP I 864     -41.335  99.523  -8.765  1.00114.04           O  
-ATOM    694  CB  ASP I 864     -39.037  96.921  -7.938  1.00117.33           C  
-ATOM    695  CG  ASP I 864     -40.000  95.883  -7.398  1.00120.68           C  
-ATOM    696  OD1 ASP I 864     -40.401  94.979  -8.171  1.00121.45           O  
-ATOM    697  OD2 ASP I 864     -40.344  95.965  -6.192  1.00122.25           O  
-ATOM    698  N   VAL I 865     -39.555  99.596  -7.398  1.00113.75           N  
-ATOM    699  CA  VAL I 865     -40.022 100.758  -6.677  1.00113.73           C  
-ATOM    700  C   VAL I 865     -39.883 102.033  -7.476  1.00114.21           C  
-ATOM    701  O   VAL I 865     -40.588 103.000  -7.212  1.00114.33           O  
-ATOM    702  CB  VAL I 865     -39.263 100.906  -5.360  1.00113.92           C  
-ATOM    703  CG1 VAL I 865     -39.848 102.037  -4.536  1.00114.22           C  
-ATOM    704  CG2 VAL I 865     -39.332  99.604  -4.597  1.00114.57           C  
-ATOM    705  N   ALA I 866     -38.976 102.048  -8.447  1.00115.17           N  
-ATOM    706  CA  ALA I 866     -38.785 103.243  -9.264  1.00115.82           C  
-ATOM    707  C   ALA I 866     -40.088 103.637  -9.956  1.00116.67           C  
-ATOM    708  O   ALA I 866     -40.539 104.776  -9.829  1.00116.42           O  
-ATOM    709  CB  ALA I 866     -37.704 103.008 -10.296  1.00116.10           C  
-ATOM    710  N   GLU I 867     -40.695 102.690 -10.676  1.00117.68           N  
-ATOM    711  CA  GLU I 867     -41.947 102.942 -11.387  1.00118.90           C  
-ATOM    712  C   GLU I 867     -43.100 103.320 -10.446  1.00121.21           C  
-ATOM    713  O   GLU I 867     -43.930 104.152 -10.798  1.00121.78           O  
-ATOM    714  CB  GLU I 867     -42.310 101.728 -12.252  1.00116.64           C  
-ATOM    715  CG  GLU I 867     -41.154 101.311 -13.167  1.00119.16           C  
-ATOM    716  CD  GLU I 867     -41.490 100.187 -14.156  1.00120.73           C  
-ATOM    717  OE1 GLU I 867     -42.141  99.199 -13.752  1.00121.89           O  
-ATOM    718  OE2 GLU I 867     -41.078 100.280 -15.338  1.00119.40           O  
-ATOM    719  N   GLU I 868     -43.152 102.731  -9.250  1.00124.52           N  
-ATOM    720  CA  GLU I 868     -44.209 103.068  -8.288  1.00126.80           C  
-ATOM    721  C   GLU I 868     -44.072 104.534  -7.878  1.00127.58           C  
-ATOM    722  O   GLU I 868     -45.060 105.178  -7.520  1.00128.33           O  
-ATOM    723  CB  GLU I 868     -44.135 102.202  -7.012  1.00128.34           C  
-ATOM    724  CG  GLU I 868     -45.048 102.736  -5.867  1.00130.21           C  
-ATOM    725  CD  GLU I 868     -44.592 102.339  -4.455  1.00130.90           C  
-ATOM    726  OE1 GLU I 868     -45.005 103.011  -3.475  1.00129.75           O  
-ATOM    727  OE2 GLU I 868     -43.828 101.359  -4.322  1.00130.90           O  
-ATOM    728  N   VAL I 869     -42.844 105.050  -7.903  1.00127.81           N  
-ATOM    729  CA  VAL I 869     -42.605 106.440  -7.541  1.00127.89           C  
-ATOM    730  C   VAL I 869     -42.936 107.307  -8.748  1.00128.68           C  
-ATOM    731  O   VAL I 869     -43.301 108.471  -8.600  1.00129.21           O  
-ATOM    732  CB  VAL I 869     -41.145 106.680  -7.094  1.00127.33           C  
-ATOM    733  CG1 VAL I 869     -40.922 108.155  -6.814  1.00126.29           C  
-ATOM    734  CG2 VAL I 869     -40.851 105.877  -5.835  1.00125.77           C  
-ATOM    735  N   ARG I 870     -42.811 106.738  -9.943  1.00129.29           N  
-ATOM    736  CA  ARG I 870     -43.162 107.475 -11.153  1.00130.58           C  
-ATOM    737  C   ARG I 870     -44.686 107.568 -11.154  1.00132.09           C  
-ATOM    738  O   ARG I 870     -45.259 108.629 -11.395  1.00132.75           O  
-ATOM    739  CB  ARG I 870     -42.719 106.732 -12.417  1.00129.13           C  
-ATOM    740  CG  ARG I 870     -41.248 106.820 -12.761  1.00127.68           C  
-ATOM    741  CD  ARG I 870     -41.019 106.178 -14.117  1.00127.30           C  
-ATOM    742  NE  ARG I 870     -39.635 106.278 -14.569  1.00128.99           N  
-ATOM    743  CZ  ARG I 870     -38.663 105.432 -14.238  1.00129.71           C  
-ATOM    744  NH1 ARG I 870     -38.910 104.401 -13.441  1.00130.09           N  
-ATOM    745  NH2 ARG I 870     -37.437 105.619 -14.710  1.00130.01           N  
-ATOM    746  N   ALA I 871     -45.333 106.438 -10.876  1.00133.36           N  
-ATOM    747  CA  ALA I 871     -46.788 106.368 -10.837  1.00134.46           C  
-ATOM    748  C   ALA I 871     -47.362 107.359  -9.822  1.00135.29           C  
-ATOM    749  O   ALA I 871     -48.266 108.122 -10.144  1.00135.70           O  
-ATOM    750  CB  ALA I 871     -47.234 104.944 -10.502  1.00134.15           C  
-ATOM    751  N   VAL I 872     -46.843 107.353  -8.598  1.00136.07           N  
-ATOM    752  CA  VAL I 872     -47.336 108.275  -7.583  1.00137.31           C  
-ATOM    753  C   VAL I 872     -47.024 109.702  -8.024  1.00139.45           C  
-ATOM    754  O   VAL I 872     -47.784 110.629  -7.744  1.00139.62           O  
-ATOM    755  CB  VAL I 872     -46.688 108.006  -6.204  1.00136.76           C  
-ATOM    756  CG1 VAL I 872     -45.212 108.379  -6.233  1.00137.30           C  
-ATOM    757  CG2 VAL I 872     -47.417 108.784  -5.123  1.00134.98           C  
-ATOM    758  N   LEU I 873     -45.903 109.876  -8.719  1.00141.99           N  
-ATOM    759  CA  LEU I 873     -45.505 111.193  -9.219  1.00145.04           C  
-ATOM    760  C   LEU I 873     -46.469 111.626 -10.329  1.00147.09           C  
-ATOM    761  O   LEU I 873     -46.192 112.552 -11.100  1.00146.94           O  
-ATOM    762  CB  LEU I 873     -44.066 111.147  -9.754  1.00144.68           C  
-ATOM    763  CG  LEU I 873     -42.913 111.599  -8.847  1.00144.08           C  
-ATOM    764  CD1 LEU I 873     -42.562 113.041  -9.161  1.00143.61           C  
-ATOM    765  CD2 LEU I 873     -43.284 111.421  -7.376  1.00143.43           C  
-ATOM    766  N   GLU I 874     -47.600 110.929 -10.402  1.00149.13           N  
-ATOM    767  CA  GLU I 874     -48.634 111.217 -11.381  1.00150.44           C  
-ATOM    768  C   GLU I 874     -49.779 111.937 -10.671  1.00151.20           C  
-ATOM    769  O   GLU I 874     -50.880 111.400 -10.517  1.00150.49           O  
-ATOM    770  CB  GLU I 874     -49.142 109.920 -12.020  1.00150.79           C  
-ATOM    771  CG  GLU I 874     -50.074 110.107 -13.208  1.00151.38           C  
-ATOM    772  CD  GLU I 874     -49.406 110.821 -14.369  1.00152.02           C  
-ATOM    773  OE1 GLU I 874     -48.237 110.502 -14.676  1.00152.53           O  
-ATOM    774  OE2 GLU I 874     -50.052 111.694 -14.984  1.00152.56           O  
-ATOM    775  N   LEU I 875     -49.482 113.146 -10.202  1.00152.28           N  
-ATOM    776  CA  LEU I 875     -50.465 113.990  -9.542  1.00153.20           C  
-ATOM    777  C   LEU I 875     -50.764 115.059 -10.592  1.00153.87           C  
-ATOM    778  O   LEU I 875     -51.921 115.371 -10.882  1.00153.38           O  
-ATOM    779  CB  LEU I 875     -49.885 114.627  -8.260  1.00153.21           C  
-ATOM    780  CG  LEU I 875     -48.850 115.767  -8.291  1.00152.84           C  
-ATOM    781  CD1 LEU I 875     -48.553 116.223  -6.863  1.00151.17           C  
-ATOM    782  CD2 LEU I 875     -47.570 115.308  -8.979  1.00152.92           C  
-ATOM    783  N   GLY I 876     -49.692 115.581 -11.182  1.00154.71           N  
-ATOM    784  CA  GLY I 876     -49.808 116.598 -12.210  1.00155.36           C  
-ATOM    785  C   GLY I 876     -48.605 117.520 -12.195  1.00155.65           C  
-ATOM    786  O   GLY I 876     -48.802 118.753 -12.267  1.00156.04           O  

Deleted: SwiftApps/modFTDock/input/2rii-3.pdb
===================================================================
--- SwiftApps/modFTDock/input/2rii-3.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/2rii-3.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,767 +0,0 @@
-ATOM      1  N   ALA Y  39       4.363 -10.343  42.984  1.00 30.61           N  
-ATOM      2  CA  ALA Y  39       5.149 -10.847  41.812  1.00 31.10           C  
-ATOM      3  C   ALA Y  39       6.575 -10.352  41.879  1.00 31.14           C  
-ATOM      4  O   ALA Y  39       6.804  -9.144  41.941  1.00 31.71           O  
-ATOM      5  CB  ALA Y  39       4.507 -10.419  40.480  1.00 31.04           C  
-ATOM      6  N   ALA Y  40       7.526 -11.284  41.855  1.00 31.10           N  
-ATOM      7  CA  ALA Y  40       8.954 -10.955  41.851  1.00 30.99           C  
-ATOM      8  C   ALA Y  40       9.331 -10.228  40.561  1.00 30.95           C  
-ATOM      9  O   ALA Y  40       8.824 -10.575  39.489  1.00 30.88           O  
-ATOM     10  CB  ALA Y  40       9.767 -12.212  42.000  1.00 30.81           C  
-ATOM     11  N   VAL Y  41      10.197  -9.218  40.672  1.00 30.95           N  
-ATOM     12  CA  VAL Y  41      10.673  -8.460  39.507  1.00 30.91           C  
-ATOM     13  C   VAL Y  41      11.982  -9.048  39.057  1.00 31.08           C  
-ATOM     14  O   VAL Y  41      12.911  -9.138  39.843  1.00 31.56           O  
-ATOM     15  CB  VAL Y  41      10.933  -6.975  39.832  1.00 30.80           C  
-ATOM     16  CG1 VAL Y  41      11.564  -6.280  38.631  1.00 30.03           C  
-ATOM     17  CG2 VAL Y  41       9.644  -6.260  40.257  1.00 30.70           C  
-ATOM     18  N   HIS Y  42      12.070  -9.432  37.794  1.00 31.28           N  
-ATOM     19  CA  HIS Y  42      13.264 -10.118  37.296  1.00 31.76           C  
-ATOM     20  C   HIS Y  42      14.171  -9.270  36.402  1.00 31.41           C  
-ATOM     21  O   HIS Y  42      13.695  -8.403  35.670  1.00 31.84           O  
-ATOM     22  CB  HIS Y  42      12.867 -11.397  36.554  1.00 32.20           C  
-ATOM     23  CG  HIS Y  42      12.395 -12.496  37.454  1.00 33.25           C  
-ATOM     24  ND1 HIS Y  42      11.118 -13.011  37.389  1.00 34.73           N  
-ATOM     25  CD2 HIS Y  42      13.025 -13.179  38.439  1.00 33.96           C  
-ATOM     26  CE1 HIS Y  42      10.982 -13.961  38.299  1.00 34.68           C  
-ATOM     27  NE2 HIS Y  42      12.124 -14.082  38.950  1.00 34.40           N  
-ATOM     28  N   ASN Y  43      15.474  -9.550  36.460  1.00 30.74           N  
-ATOM     29  CA  ASN Y  43      16.477  -8.904  35.602  1.00 30.21           C  
-ATOM     30  C   ASN Y  43      16.717  -9.654  34.326  1.00 29.71           C  
-ATOM     31  O   ASN Y  43      17.708 -10.368  34.183  1.00 29.92           O  
-ATOM     32  CB  ASN Y  43      17.791  -8.739  36.337  1.00 29.89           C  
-ATOM     33  CG  ASN Y  43      17.750  -7.596  37.276  1.00 31.17           C  
-ATOM     34  OD1 ASN Y  43      17.214  -6.527  36.942  1.00 32.47           O  
-ATOM     35  ND2 ASN Y  43      18.284  -7.795  38.478  1.00 31.31           N  
-ATOM     36  N   VAL Y  44      15.801  -9.482  33.395  1.00 29.27           N  
-ATOM     37  CA  VAL Y  44      15.804 -10.287  32.197  1.00 28.82           C  
-ATOM     38  C   VAL Y  44      16.617  -9.591  31.118  1.00 29.04           C  
-ATOM     39  O   VAL Y  44      16.594  -8.353  30.998  1.00 28.43           O  
-ATOM     40  CB  VAL Y  44      14.367 -10.657  31.756  1.00 28.59           C  
-ATOM     41  CG1 VAL Y  44      13.356  -9.777  32.456  1.00 28.39           C  
-ATOM     42  CG2 VAL Y  44      14.201 -10.616  30.244  1.00 28.13           C  
-ATOM     43  N   PRO Y  45      17.391 -10.390  30.372  1.00 29.02           N  
-ATOM     44  CA  PRO Y  45      18.210  -9.873  29.296  1.00 29.12           C  
-ATOM     45  C   PRO Y  45      17.348  -9.446  28.122  1.00 29.13           C  
-ATOM     46  O   PRO Y  45      16.412 -10.154  27.734  1.00 28.81           O  
-ATOM     47  CB  PRO Y  45      19.114 -11.058  28.926  1.00 29.02           C  
-ATOM     48  CG  PRO Y  45      18.401 -12.252  29.383  1.00 29.44           C  
-ATOM     49  CD  PRO Y  45      17.550 -11.844  30.552  1.00 29.08           C  
-ATOM     50  N   LEU Y  46      17.677  -8.290  27.559  1.00 29.01           N  
-ATOM     51  CA  LEU Y  46      16.901  -7.735  26.464  1.00 28.87           C  
-ATOM     52  C   LEU Y  46      16.852  -8.672  25.259  1.00 28.61           C  
-ATOM     53  O   LEU Y  46      15.900  -8.643  24.469  1.00 28.80           O  
-ATOM     54  CB  LEU Y  46      17.480  -6.388  26.062  1.00 28.89           C  
-ATOM     55  CG  LEU Y  46      17.144  -5.101  26.837  1.00 28.84           C  
-ATOM     56  CD1 LEU Y  46      17.286  -5.197  28.344  1.00 29.26           C  
-ATOM     57  CD2 LEU Y  46      18.008  -3.966  26.324  1.00 29.19           C  
-ATOM     58  N   SER Y  47      17.869  -9.519  25.145  1.00 28.42           N  
-ATOM     59  CA  SER Y  47      18.039 -10.386  23.980  1.00 28.15           C  
-ATOM     60  C   SER Y  47      17.188 -11.630  24.060  1.00 27.57           C  
-ATOM     61  O   SER Y  47      16.999 -12.311  23.054  1.00 27.70           O  
-ATOM     62  CB  SER Y  47      19.495 -10.804  23.865  1.00 28.43           C  
-ATOM     63  OG  SER Y  47      19.890 -11.492  25.042  1.00 28.97           O  
-ATOM     64  N   VAL Y  48      16.715 -11.941  25.267  1.00 27.08           N  
-ATOM     65  CA  VAL Y  48      15.795 -13.066  25.481  1.00 26.34           C  
-ATOM     66  C   VAL Y  48      14.355 -12.751  24.987  1.00 25.54           C  
-ATOM     67  O   VAL Y  48      13.610 -13.656  24.570  1.00 25.62           O  
-ATOM     68  CB  VAL Y  48      15.812 -13.545  26.970  1.00 26.53           C  
-ATOM     69  CG1 VAL Y  48      15.254 -12.506  27.878  1.00 26.64           C  
-ATOM     70  CG2 VAL Y  48      15.018 -14.813  27.153  1.00 26.17           C  
-ATOM     71  N   LEU Y  49      13.994 -11.468  24.998  1.00 24.14           N  
-ATOM     72  CA  LEU Y  49      12.621 -11.032  24.755  1.00 22.66           C  
-ATOM     73  C   LEU Y  49      12.179 -11.060  23.286  1.00 22.30           C  
-ATOM     74  O   LEU Y  49      12.777 -10.401  22.437  1.00 22.43           O  
-ATOM     75  CB  LEU Y  49      12.438  -9.630  25.325  1.00 22.04           C  
-ATOM     76  CG  LEU Y  49      12.561  -9.499  26.837  1.00 21.49           C  
-ATOM     77  CD1 LEU Y  49      12.460  -8.051  27.206  1.00 20.67           C  
-ATOM     78  CD2 LEU Y  49      11.509 -10.325  27.588  1.00 20.07           C  
-ATOM     79  N   ILE Y  50      11.126 -11.809  22.983  1.00 21.44           N  
-ATOM     80  CA  ILE Y  50      10.564 -11.770  21.645  1.00 20.90           C  
-ATOM     81  C   ILE Y  50       9.582 -10.614  21.552  1.00 21.54           C  
-ATOM     82  O   ILE Y  50       8.578 -10.576  22.264  1.00 21.49           O  
-ATOM     83  CB  ILE Y  50       9.827 -13.039  21.307  1.00 20.67           C  
-ATOM     84  CG1 ILE Y  50      10.600 -14.250  21.836  1.00 20.24           C  
-ATOM     85  CG2 ILE Y  50       9.590 -13.120  19.812  1.00 20.03           C  
-ATOM     86  CD1 ILE Y  50       9.846 -15.546  21.733  1.00 18.21           C  
-ATOM     87  N   ARG Y  51       9.882  -9.657  20.679  1.00 21.96           N  
-ATOM     88  CA  ARG Y  51       9.013  -8.512  20.472  1.00 21.80           C  
-ATOM     89  C   ARG Y  51       8.538  -8.564  19.047  1.00 21.73           C  
-ATOM     90  O   ARG Y  51       9.080  -7.875  18.194  1.00 21.38           O  
-ATOM     91  CB  ARG Y  51       9.762  -7.216  20.755  1.00 21.53           C  
-ATOM     92  CG  ARG Y  51      10.324  -7.153  22.163  1.00 22.86           C  
-ATOM     93  CD  ARG Y  51      11.561  -6.265  22.274  1.00 27.40           C  
-ATOM     94  NE  ARG Y  51      12.346  -6.308  21.040  1.00 30.62           N  
-ATOM     95  CZ  ARG Y  51      12.394  -5.324  20.146  1.00 32.62           C  
-ATOM     96  NH1 ARG Y  51      11.743  -4.181  20.354  1.00 32.44           N  
-ATOM     97  NH2 ARG Y  51      13.111  -5.480  19.042  1.00 35.44           N  
-ATOM     98  N   PRO Y  52       7.519  -9.392  18.778  1.00 22.14           N  
-ATOM     99  CA  PRO Y  52       7.121  -9.638  17.410  1.00 22.89           C  
-ATOM    100  C   PRO Y  52       6.111  -8.617  16.897  1.00 24.01           C  
-ATOM    101  O   PRO Y  52       5.594  -8.770  15.787  1.00 24.54           O  
-ATOM    102  CB  PRO Y  52       6.462 -11.013  17.505  1.00 22.48           C  
-ATOM    103  CG  PRO Y  52       5.790 -10.963  18.808  1.00 22.11           C  
-ATOM    104  CD  PRO Y  52       6.668 -10.138  19.719  1.00 21.85           C  
-ATOM    105  N   LEU Y  53       5.816  -7.585  17.682  1.00 25.34           N  
-ATOM    106  CA  LEU Y  53       4.803  -6.617  17.253  1.00 26.40           C  
-ATOM    107  C   LEU Y  53       5.364  -5.382  16.550  1.00 27.36           C  
-ATOM    108  O   LEU Y  53       6.270  -4.712  17.075  1.00 27.60           O  
-ATOM    109  CB  LEU Y  53       3.888  -6.225  18.408  1.00 26.20           C  
-ATOM    110  CG  LEU Y  53       2.847  -7.257  18.847  1.00 26.00           C  
-ATOM    111  CD1 LEU Y  53       1.867  -6.541  19.747  1.00 27.57           C  
-ATOM    112  CD2 LEU Y  53       2.113  -7.955  17.694  1.00 24.60           C  
-ATOM    113  N   PRO Y  54       4.822  -5.071  15.356  1.00 28.22           N  
-ATOM    114  CA  PRO Y  54       5.343  -3.920  14.632  1.00 28.99           C  
-ATOM    115  C   PRO Y  54       4.853  -2.706  15.385  1.00 30.03           C  
-ATOM    116  O   PRO Y  54       3.653  -2.454  15.426  1.00 30.68           O  
-ATOM    117  CB  PRO Y  54       4.671  -4.025  13.252  1.00 28.81           C  
-ATOM    118  CG  PRO Y  54       3.454  -4.843  13.460  1.00 28.17           C  
-ATOM    119  CD  PRO Y  54       3.696  -5.721  14.661  1.00 28.13           C  
-ATOM    120  N   SER Y  55       5.750  -1.984  16.024  1.00 31.02           N  
-ATOM    121  CA  SER Y  55       5.293  -0.892  16.846  1.00 32.31           C  
-ATOM    122  C   SER Y  55       6.075   0.368  16.543  1.00 32.47           C  
-ATOM    123  O   SER Y  55       7.304   0.400  16.697  1.00 33.18           O  
-ATOM    124  CB  SER Y  55       5.382  -1.259  18.332  1.00 32.77           C  
-ATOM    125  OG  SER Y  55       4.418  -0.539  19.093  1.00 34.10           O  
-ATOM    126  N   VAL Y  56       5.344   1.387  16.099  1.00 32.07           N  
-ATOM    127  CA  VAL Y  56       5.904   2.688  15.816  1.00 31.90           C  
-ATOM    128  C   VAL Y  56       5.874   3.510  17.091  1.00 31.56           C  
-ATOM    129  O   VAL Y  56       4.831   3.709  17.715  1.00 31.59           O  
-ATOM    130  CB  VAL Y  56       5.158   3.446  14.674  1.00 32.29           C  
-ATOM    131  CG1 VAL Y  56       5.879   4.777  14.345  1.00 32.44           C  
-ATOM    132  CG2 VAL Y  56       5.046   2.580  13.415  1.00 32.16           C  
-ATOM    133  N   LEU Y  57       7.047   4.013  17.433  1.00 31.08           N  
-ATOM    134  CA  LEU Y  57       7.313   4.618  18.715  1.00 30.58           C  
-ATOM    135  C   LEU Y  57       7.452   6.122  18.573  1.00 29.94           C  
-ATOM    136  O   LEU Y  57       8.080   6.599  17.634  1.00 30.73           O  
-ATOM    137  CB  LEU Y  57       8.627   4.033  19.249  1.00 30.86           C  
-ATOM    138  CG  LEU Y  57       8.609   2.501  19.371  1.00 31.42           C  
-ATOM    139  CD1 LEU Y  57       9.880   1.825  18.830  1.00 31.13           C  
-ATOM    140  CD2 LEU Y  57       8.316   2.112  20.820  1.00 32.30           C  
-ATOM    141  N   ASP Y  58       6.870   6.867  19.503  1.00 28.69           N  
-ATOM    142  CA  ASP Y  58       7.164   8.278  19.633  1.00 27.62           C  
-ATOM    143  C   ASP Y  58       8.584   8.438  20.221  1.00 26.85           C  
-ATOM    144  O   ASP Y  58       8.830   8.089  21.384  1.00 27.21           O  
-ATOM    145  CB  ASP Y  58       6.102   8.935  20.524  1.00 27.84           C  
-ATOM    146  CG  ASP Y  58       6.441  10.374  20.922  1.00 27.97           C  
-ATOM    147  OD1 ASP Y  58       7.326  11.017  20.312  1.00 29.84           O  
-ATOM    148  OD2 ASP Y  58       5.803  10.875  21.865  1.00 27.70           O  
-ATOM    149  N   PRO Y  59       9.528   8.960  19.422  1.00 25.55           N  
-ATOM    150  CA  PRO Y  59      10.890   9.132  19.939  1.00 24.77           C  
-ATOM    151  C   PRO Y  59      10.998  10.086  21.138  1.00 23.87           C  
-ATOM    152  O   PRO Y  59      11.955   9.981  21.921  1.00 23.68           O  
-ATOM    153  CB  PRO Y  59      11.660   9.700  18.738  1.00 25.09           C  
-ATOM    154  CG  PRO Y  59      10.610  10.262  17.814  1.00 25.00           C  
-ATOM    155  CD  PRO Y  59       9.398   9.396  18.019  1.00 25.54           C  
-ATOM    156  N   ALA Y  60      10.041  11.008  21.269  1.00 22.41           N  
-ATOM    157  CA  ALA Y  60      10.034  11.948  22.383  1.00 21.29           C  
-ATOM    158  C   ALA Y  60       9.728  11.198  23.684  1.00 20.86           C  
-ATOM    159  O   ALA Y  60      10.409  11.387  24.699  1.00 19.77           O  
-ATOM    160  CB  ALA Y  60       9.035  13.051  22.137  1.00 21.38           C  
-ATOM    161  N   LYS Y  61       8.731  10.315  23.625  1.00 20.70           N  
-ATOM    162  CA  LYS Y  61       8.403   9.443  24.743  1.00 21.16           C  
-ATOM    163  C   LYS Y  61       9.632   8.671  25.201  1.00 21.41           C  
-ATOM    164  O   LYS Y  61       9.946   8.645  26.412  1.00 21.85           O  
-ATOM    165  CB  LYS Y  61       7.276   8.491  24.367  1.00 21.18           C  
-ATOM    166  CG  LYS Y  61       5.923   9.107  24.585  1.00 22.54           C  
-ATOM    167  CD  LYS Y  61       4.827   8.450  23.768  1.00 25.00           C  
-ATOM    168  CE  LYS Y  61       3.540   9.303  23.795  1.00 25.91           C  
-ATOM    169  NZ  LYS Y  61       2.396   8.585  23.161  1.00 26.94           N  
-ATOM    170  N   VAL Y  62      10.343   8.095  24.225  1.00 20.90           N  
-ATOM    171  CA  VAL Y  62      11.508   7.269  24.480  1.00 20.19           C  
-ATOM    172  C   VAL Y  62      12.592   8.086  25.150  1.00 20.89           C  
-ATOM    173  O   VAL Y  62      13.152   7.667  26.175  1.00 21.01           O  
-ATOM    174  CB  VAL Y  62      12.071   6.623  23.188  1.00 19.91           C  
-ATOM    175  CG1 VAL Y  62      13.352   5.918  23.507  1.00 18.67           C  
-ATOM    176  CG2 VAL Y  62      11.057   5.632  22.538  1.00 17.83           C  
-ATOM    177  N   GLN Y  63      12.880   9.256  24.585  1.00 21.29           N  
-ATOM    178  CA  GLN Y  63      13.953  10.095  25.111  1.00 21.67           C  
-ATOM    179  C   GLN Y  63      13.680  10.551  26.552  1.00 22.01           C  
-ATOM    180  O   GLN Y  63      14.593  10.598  27.377  1.00 21.78           O  
-ATOM    181  CB  GLN Y  63      14.216  11.299  24.199  1.00 21.74           C  
-ATOM    182  CG  GLN Y  63      15.490  12.061  24.578  1.00 21.04           C  
-ATOM    183  CD  GLN Y  63      16.681  11.127  24.688  1.00 20.21           C  
-ATOM    184  OE1 GLN Y  63      17.059  10.471  23.711  1.00 19.83           O  
-ATOM    185  NE2 GLN Y  63      17.260  11.037  25.882  1.00 19.66           N  
-ATOM    186  N   SER Y  64      12.419  10.864  26.842  1.00 22.54           N  
-ATOM    187  CA  SER Y  64      11.996  11.170  28.208  1.00 23.30           C  
-ATOM    188  C   SER Y  64      12.217  10.008  29.164  1.00 23.87           C  
-ATOM    189  O   SER Y  64      12.600  10.197  30.315  1.00 24.25           O  
-ATOM    190  CB  SER Y  64      10.536  11.585  28.232  1.00 22.83           C  
-ATOM    191  OG  SER Y  64      10.443  12.972  28.013  1.00 22.65           O  
-ATOM    192  N   LEU Y  65      11.991   8.797  28.673  1.00 24.37           N  
-ATOM    193  CA  LEU Y  65      12.241   7.614  29.482  1.00 24.62           C  
-ATOM    194  C   LEU Y  65      13.739   7.362  29.728  1.00 24.96           C  
-ATOM    195  O   LEU Y  65      14.141   7.191  30.885  1.00 24.77           O  
-ATOM    196  CB  LEU Y  65      11.507   6.389  28.913  1.00 24.05           C  
-ATOM    197  CG  LEU Y  65      10.006   6.344  29.274  1.00 23.75           C  
-ATOM    198  CD1 LEU Y  65       9.155   5.842  28.112  1.00 24.39           C  
-ATOM    199  CD2 LEU Y  65       9.677   5.546  30.550  1.00 22.48           C  
-ATOM    200  N   VAL Y  66      14.556   7.360  28.668  1.00 25.65           N  
-ATOM    201  CA  VAL Y  66      16.025   7.299  28.840  1.00 26.42           C  
-ATOM    202  C   VAL Y  66      16.445   8.316  29.898  1.00 27.38           C  
-ATOM    203  O   VAL Y  66      17.197   7.989  30.826  1.00 27.54           O  
-ATOM    204  CB  VAL Y  66      16.824   7.572  27.543  1.00 26.06           C  
-ATOM    205  CG1 VAL Y  66      18.287   7.724  27.847  1.00 26.18           C  
-ATOM    206  CG2 VAL Y  66      16.649   6.462  26.548  1.00 26.22           C  
-ATOM    207  N   ASP Y  67      15.925   9.536  29.778  1.00 28.22           N  
-ATOM    208  CA  ASP Y  67      16.261  10.581  30.725  1.00 29.48           C  
-ATOM    209  C   ASP Y  67      15.963  10.139  32.140  1.00 30.19           C  
-ATOM    210  O   ASP Y  67      16.875  10.063  32.974  1.00 30.45           O  
-ATOM    211  CB  ASP Y  67      15.538  11.892  30.394  1.00 29.71           C  
-ATOM    212  CG  ASP Y  67      16.108  12.572  29.161  1.00 29.89           C  
-ATOM    213  OD1 ASP Y  67      17.260  12.264  28.782  1.00 28.93           O  
-ATOM    214  OD2 ASP Y  67      15.398  13.400  28.561  1.00 29.83           O  
-ATOM    215  N   THR Y  68      14.695   9.821  32.403  1.00 30.71           N  
-ATOM    216  CA  THR Y  68      14.264   9.519  33.764  1.00 31.25           C  
-ATOM    217  C   THR Y  68      15.055   8.336  34.327  1.00 31.60           C  
-ATOM    218  O   THR Y  68      15.527   8.393  35.468  1.00 31.60           O  
-ATOM    219  CB  THR Y  68      12.734   9.297  33.870  1.00 31.31           C  
-ATOM    220  OG1 THR Y  68      12.062  10.158  32.948  1.00 31.82           O  
-ATOM    221  CG2 THR Y  68      12.241   9.630  35.264  1.00 31.04           C  
-ATOM    222  N   ILE Y  69      15.239   7.295  33.512  1.00 31.86           N  
-ATOM    223  CA  ILE Y  69      16.021   6.121  33.924  1.00 32.32           C  
-ATOM    224  C   ILE Y  69      17.372   6.465  34.587  1.00 32.98           C  
-ATOM    225  O   ILE Y  69      17.628   6.039  35.715  1.00 32.63           O  
-ATOM    226  CB  ILE Y  69      16.232   5.123  32.765  1.00 32.05           C  
-ATOM    227  CG1 ILE Y  69      15.023   4.220  32.604  1.00 30.28           C  
-ATOM    228  CG2 ILE Y  69      17.472   4.245  33.001  1.00 32.72           C  
-ATOM    229  CD1 ILE Y  69      14.884   3.739  31.220  1.00 28.99           C  
-ATOM    230  N   ARG Y  70      18.222   7.229  33.898  1.00 33.75           N  
-ATOM    231  CA  ARG Y  70      19.545   7.506  34.431  1.00 34.87           C  
-ATOM    232  C   ARG Y  70      19.435   8.304  35.730  1.00 35.34           C  
-ATOM    233  O   ARG Y  70      20.256   8.131  36.628  1.00 35.45           O  
-ATOM    234  CB  ARG Y  70      20.483   8.145  33.383  1.00 35.02           C  
-ATOM    235  CG  ARG Y  70      20.342   9.660  33.112  1.00 35.76           C  
-ATOM    236  CD  ARG Y  70      21.534  10.204  32.285  1.00 36.12           C  
-ATOM    237  NE  ARG Y  70      21.302  10.192  30.831  1.00 38.71           N  
-ATOM    238  CZ  ARG Y  70      21.580   9.174  30.002  1.00 39.49           C  
-ATOM    239  NH1 ARG Y  70      22.107   8.042  30.461  1.00 39.86           N  
-ATOM    240  NH2 ARG Y  70      21.328   9.285  28.697  1.00 38.29           N  
-ATOM    241  N   GLU Y  71      18.394   9.133  35.846  1.00 35.77           N  
-ATOM    242  CA  GLU Y  71      18.128   9.874  37.085  1.00 36.34           C  
-ATOM    243  C   GLU Y  71      17.528   9.000  38.193  1.00 35.87           C  
-ATOM    244  O   GLU Y  71      18.138   8.833  39.249  1.00 36.16           O  
-ATOM    245  CB  GLU Y  71      17.187  11.050  36.833  1.00 36.86           C  
-ATOM    246  CG  GLU Y  71      17.438  11.798  35.542  1.00 39.79           C  
-ATOM    247  CD  GLU Y  71      18.650  12.699  35.608  1.00 42.44           C  
-ATOM    248  OE1 GLU Y  71      18.459  13.928  35.458  1.00 42.99           O  
-ATOM    249  OE2 GLU Y  71      19.777  12.176  35.807  1.00 43.36           O  
-ATOM    250  N   ASP Y  72      16.335   8.457  37.950  1.00 34.98           N  
-ATOM    251  CA  ASP Y  72      15.574   7.757  38.972  1.00 34.32           C  
-ATOM    252  C   ASP Y  72      15.041   6.427  38.423  1.00 33.98           C  
-ATOM    253  O   ASP Y  72      13.847   6.327  38.092  1.00 34.05           O  
-ATOM    254  CB  ASP Y  72      14.430   8.661  39.442  1.00 34.47           C  
-ATOM    255  CG  ASP Y  72      13.602   8.055  40.572  1.00 35.05           C  
-ATOM    256  OD1 ASP Y  72      13.722   6.838  40.850  1.00 35.71           O  
-ATOM    257  OD2 ASP Y  72      12.805   8.810  41.178  1.00 35.26           O  
-ATOM    258  N   PRO Y  73      15.913   5.393  38.338  1.00 33.26           N  
-ATOM    259  CA  PRO Y  73      15.519   4.171  37.635  1.00 32.81           C  
-ATOM    260  C   PRO Y  73      14.349   3.496  38.325  1.00 32.54           C  
-ATOM    261  O   PRO Y  73      13.566   2.795  37.681  1.00 32.48           O  
-ATOM    262  CB  PRO Y  73      16.768   3.282  37.718  1.00 32.74           C  
-ATOM    263  CG  PRO Y  73      17.880   4.195  38.072  1.00 32.82           C  
-ATOM    264  CD  PRO Y  73      17.269   5.281  38.896  1.00 33.01           C  
-ATOM    265  N   ASP Y  74      14.213   3.725  39.626  1.00 32.19           N  
-ATOM    266  CA  ASP Y  74      13.145   3.084  40.375  1.00 31.89           C  
-ATOM    267  C   ASP Y  74      11.818   3.845  40.373  1.00 31.46           C  
-ATOM    268  O   ASP Y  74      10.900   3.460  41.087  1.00 31.66           O  
-ATOM    269  CB  ASP Y  74      13.611   2.745  41.793  1.00 32.31           C  
-ATOM    270  CG  ASP Y  74      14.618   1.594  41.818  1.00 32.17           C  
-ATOM    271  OD1 ASP Y  74      15.208   1.278  40.764  1.00 31.95           O  
-ATOM    272  OD2 ASP Y  74      14.821   1.001  42.896  1.00 32.07           O  
-ATOM    273  N   SER Y  75      11.711   4.906  39.568  1.00 30.55           N  
-ATOM    274  CA  SER Y  75      10.414   5.526  39.318  1.00 29.68           C  
-ATOM    275  C   SER Y  75       9.807   5.019  38.002  1.00 29.19           C  
-ATOM    276  O   SER Y  75       8.694   5.416  37.616  1.00 29.24           O  
-ATOM    277  CB  SER Y  75      10.494   7.060  39.358  1.00 30.03           C  
-ATOM    278  OG  SER Y  75      11.151   7.610  38.225  1.00 29.96           O  
-ATOM    279  N   VAL Y  76      10.535   4.124  37.337  1.00 27.86           N  
-ATOM    280  CA  VAL Y  76      10.114   3.543  36.074  1.00 26.65           C  
-ATOM    281  C   VAL Y  76       9.635   2.099  36.314  1.00 26.31           C  
-ATOM    282  O   VAL Y  76      10.424   1.220  36.660  1.00 26.10           O  
-ATOM    283  CB  VAL Y  76      11.275   3.637  35.046  1.00 26.82           C  
-ATOM    284  CG1 VAL Y  76      10.935   2.968  33.719  1.00 25.19           C  
-ATOM    285  CG2 VAL Y  76      11.667   5.099  34.831  1.00 26.64           C  
-ATOM    286  N   PRO Y  77       8.331   1.838  36.135  1.00 25.99           N  
-ATOM    287  CA  PRO Y  77       7.838   0.553  36.607  1.00 25.68           C  
-ATOM    288  C   PRO Y  77       8.196  -0.559  35.637  1.00 25.28           C  
-ATOM    289  O   PRO Y  77       8.346  -0.312  34.445  1.00 24.92           O  
-ATOM    290  CB  PRO Y  77       6.327   0.762  36.639  1.00 25.68           C  
-ATOM    291  CG  PRO Y  77       6.062   1.704  35.544  1.00 24.98           C  
-ATOM    292  CD  PRO Y  77       7.264   2.621  35.489  1.00 26.18           C  
-ATOM    293  N   PRO Y  78       8.309  -1.787  36.142  1.00 25.32           N  
-ATOM    294  CA  PRO Y  78       8.774  -2.890  35.309  1.00 25.23           C  
-ATOM    295  C   PRO Y  78       7.750  -3.245  34.249  1.00 25.17           C  
-ATOM    296  O   PRO Y  78       6.555  -2.967  34.415  1.00 25.41           O  
-ATOM    297  CB  PRO Y  78       8.961  -4.039  36.307  1.00 24.95           C  
-ATOM    298  CG  PRO Y  78       8.070  -3.732  37.439  1.00 25.13           C  
-ATOM    299  CD  PRO Y  78       7.990  -2.219  37.516  1.00 25.76           C  
-ATOM    300  N   ILE Y  79       8.223  -3.836  33.158  1.00 24.97           N  
-ATOM    301  CA  ILE Y  79       7.360  -4.171  32.035  1.00 24.77           C  
-ATOM    302  C   ILE Y  79       6.747  -5.511  32.317  1.00 24.79           C  
-ATOM    303  O   ILE Y  79       7.118  -6.164  33.278  1.00 25.17           O  
-ATOM    304  CB  ILE Y  79       8.144  -4.185  30.722  1.00 24.74           C  
-ATOM    305  CG1 ILE Y  79       9.143  -5.352  30.689  1.00 25.15           C  
-ATOM    306  CG2 ILE Y  79       8.886  -2.863  30.563  1.00 25.07           C  
-ATOM    307  CD1 ILE Y  79       9.995  -5.436  29.430  1.00 24.75           C  
-ATOM    308  N   ASP Y  80       5.791  -5.919  31.505  1.00 25.09           N  
-ATOM    309  CA  ASP Y  80       5.236  -7.235  31.654  1.00 25.57           C  
-ATOM    310  C   ASP Y  80       5.680  -8.094  30.493  1.00 26.05           C  
-ATOM    311  O   ASP Y  80       5.715  -7.671  29.331  1.00 26.86           O  
-ATOM    312  CB  ASP Y  80       3.713  -7.207  31.770  1.00 25.60           C  
-ATOM    313  CG  ASP Y  80       3.232  -6.607  33.080  1.00 27.09           C  
-ATOM    314  OD1 ASP Y  80       3.624  -7.084  34.169  1.00 29.97           O  
-ATOM    315  OD2 ASP Y  80       2.448  -5.646  33.028  1.00 28.04           O  
-ATOM    316  N   VAL Y  81       6.022  -9.323  30.831  1.00 26.64           N  
-ATOM    317  CA  VAL Y  81       6.619 -10.233  29.893  1.00 26.79           C  
-ATOM    318  C   VAL Y  81       5.832 -11.494  29.970  1.00 26.91           C  
-ATOM    319  O   VAL Y  81       5.743 -12.107  31.033  1.00 26.99           O  
-ATOM    320  CB  VAL Y  81       8.074 -10.522  30.274  1.00 26.55           C  
-ATOM    321  CG1 VAL Y  81       8.572 -11.790  29.593  1.00 26.00           C  
-ATOM    322  CG2 VAL Y  81       8.924  -9.334  29.910  1.00 26.72           C  
-ATOM    323  N   LEU Y  82       5.258 -11.872  28.837  1.00 27.13           N  
-ATOM    324  CA  LEU Y  82       4.452 -13.072  28.759  1.00 27.77           C  
-ATOM    325  C   LEU Y  82       5.374 -14.287  28.777  1.00 28.06           C  
-ATOM    326  O   LEU Y  82       6.184 -14.456  27.868  1.00 28.49           O  
-ATOM    327  CB  LEU Y  82       3.617 -13.051  27.476  1.00 27.53           C  
-ATOM    328  CG  LEU Y  82       2.112 -13.209  27.672  1.00 27.84           C  
-ATOM    329  CD1 LEU Y  82       1.551 -11.938  28.267  1.00 28.60           C  
-ATOM    330  CD2 LEU Y  82       1.389 -13.520  26.369  1.00 27.61           C  
-ATOM    331  N   TRP Y  83       5.263 -15.114  29.813  1.00 28.69           N  
-ATOM    332  CA  TRP Y  83       5.982 -16.403  29.876  1.00 29.15           C  
-ATOM    333  C   TRP Y  83       5.154 -17.551  29.344  1.00 28.91           C  
-ATOM    334  O   TRP Y  83       4.124 -17.913  29.914  1.00 29.25           O  
-ATOM    335  CB  TRP Y  83       6.449 -16.721  31.300  1.00 29.56           C  
-ATOM    336  CG  TRP Y  83       7.302 -17.948  31.421  1.00 30.05           C  
-ATOM    337  CD1 TRP Y  83       7.764 -18.750  30.405  1.00 30.89           C  
-ATOM    338  CD2 TRP Y  83       7.832 -18.498  32.635  1.00 30.73           C  
-ATOM    339  NE1 TRP Y  83       8.530 -19.773  30.918  1.00 31.00           N  
-ATOM    340  CE2 TRP Y  83       8.591 -19.643  32.282  1.00 30.68           C  
-ATOM    341  CE3 TRP Y  83       7.732 -18.142  33.988  1.00 30.31           C  
-ATOM    342  CZ2 TRP Y  83       9.252 -20.429  33.234  1.00 30.85           C  
-ATOM    343  CZ3 TRP Y  83       8.387 -18.927  34.934  1.00 30.90           C  
-ATOM    344  CH2 TRP Y  83       9.141 -20.060  34.550  1.00 30.39           C  
-ATOM    345  N   ILE Y  84       5.651 -18.131  28.262  1.00 28.90           N  
-ATOM    346  CA  ILE Y  84       4.978 -19.195  27.543  1.00 28.94           C  
-ATOM    347  C   ILE Y  84       5.895 -20.418  27.384  1.00 28.97           C  
-ATOM    348  O   ILE Y  84       7.051 -20.309  26.961  1.00 29.21           O  
-ATOM    349  CB  ILE Y  84       4.495 -18.683  26.159  1.00 28.81           C  
-ATOM    350  CG1 ILE Y  84       3.395 -17.634  26.335  1.00 29.22           C  
-ATOM    351  CG2 ILE Y  84       3.955 -19.814  25.297  1.00 29.74           C  
-ATOM    352  CD1 ILE Y  84       3.414 -16.550  25.282  1.00 29.10           C  
-ATOM    353  N   LYS Y  85       5.358 -21.579  27.744  1.00 28.98           N  
-ATOM    354  CA  LYS Y  85       5.998 -22.856  27.493  1.00 28.62           C  
-ATOM    355  C   LYS Y  85       5.368 -23.527  26.288  1.00 28.63           C  
-ATOM    356  O   LYS Y  85       4.146 -23.714  26.231  1.00 28.23           O  
-ATOM    357  CB  LYS Y  85       5.912 -23.760  28.727  1.00 28.59           C  
-ATOM    358  CG  LYS Y  85       7.111 -23.596  29.633  1.00 27.99           C  
-ATOM    359  CD  LYS Y  85       7.347 -24.808  30.507  1.00 27.89           C  
-ATOM    360  CE  LYS Y  85       8.577 -24.605  31.378  1.00 27.17           C  
-ATOM    361  NZ  LYS Y  85       8.412 -23.405  32.226  1.00 25.92           N  
-ATOM    362  N   GLY Y  86       6.210 -23.880  25.323  1.00 28.64           N  
-ATOM    363  CA  GLY Y  86       5.751 -24.559  24.113  1.00 29.01           C  
-ATOM    364  C   GLY Y  86       5.483 -26.038  24.319  1.00 29.28           C  
-ATOM    365  O   GLY Y  86       5.638 -26.562  25.422  1.00 28.87           O  
-ATOM    366  N   ALA Y  87       5.098 -26.710  23.240  1.00 29.70           N  
-ATOM    367  CA  ALA Y  87       4.794 -28.141  23.252  1.00 29.93           C  
-ATOM    368  C   ALA Y  87       5.822 -29.067  23.961  1.00 30.25           C  
-ATOM    369  O   ALA Y  87       5.467 -30.184  24.354  1.00 30.40           O  
-ATOM    370  CB  ALA Y  87       4.523 -28.616  21.842  1.00 29.61           C  
-ATOM    371  N   GLN Y  88       7.065 -28.614  24.145  1.00 30.33           N  
-ATOM    372  CA  GLN Y  88       8.089 -29.416  24.844  1.00 30.87           C  
-ATOM    373  C   GLN Y  88       8.599 -28.691  26.093  1.00 30.74           C  
-ATOM    374  O   GLN Y  88       7.835 -28.045  26.806  1.00 30.99           O  
-ATOM    375  CB  GLN Y  88       9.262 -29.754  23.910  1.00 30.65           C  
-ATOM    376  CG  GLN Y  88       8.890 -30.654  22.715  1.00 31.71           C  
-ATOM    377  CD  GLN Y  88       9.972 -30.736  21.612  1.00 32.29           C  
-ATOM    378  OE1 GLN Y  88       9.818 -31.498  20.639  1.00 34.33           O  
-ATOM    379  NE2 GLN Y  88      11.058 -29.954  21.753  1.00 32.49           N  
-ATOM    380  N   GLY Y  89       9.891 -28.794  26.369  1.00 30.62           N  
-ATOM    381  CA  GLY Y  89      10.478 -27.981  27.425  1.00 30.36           C  
-ATOM    382  C   GLY Y  89      10.281 -26.493  27.159  1.00 29.81           C  
-ATOM    383  O   GLY Y  89      10.270 -25.692  28.098  1.00 29.54           O  
-ATOM    384  N   GLY Y  90      10.094 -26.156  25.876  1.00 29.58           N  
-ATOM    385  CA  GLY Y  90      10.150 -24.783  25.314  1.00 29.21           C  
-ATOM    386  C   GLY Y  90       9.884 -23.507  26.114  1.00 28.98           C  
-ATOM    387  O   GLY Y  90       8.726 -23.143  26.374  1.00 28.90           O  
-ATOM    388  N   ASP Y  91      10.960 -22.804  26.468  1.00 28.81           N  
-ATOM    389  CA  ASP Y  91      10.858 -21.499  27.146  1.00 28.66           C  
-ATOM    390  C   ASP Y  91      10.895 -20.298  26.197  1.00 28.39           C  
-ATOM    391  O   ASP Y  91      11.890 -20.060  25.495  1.00 28.14           O  
-ATOM    392  CB  ASP Y  91      11.942 -21.336  28.212  1.00 28.72           C  
-ATOM    393  CG  ASP Y  91      11.480 -21.759  29.589  1.00 30.00           C  
-ATOM    394  OD1 ASP Y  91      12.334 -21.821  30.510  1.00 31.15           O  
-ATOM    395  OD2 ASP Y  91      10.264 -22.020  29.754  1.00 30.96           O  
-ATOM    396  N   TYR Y  92       9.805 -19.534  26.201  1.00 27.92           N  
-ATOM    397  CA  TYR Y  92       9.706 -18.321  25.414  1.00 27.22           C  
-ATOM    398  C   TYR Y  92       9.219 -17.225  26.322  1.00 26.92           C  
-ATOM    399  O   TYR Y  92       8.349 -17.462  27.162  1.00 27.00           O  
-ATOM    400  CB  TYR Y  92       8.722 -18.519  24.274  1.00 27.35           C  
-ATOM    401  CG  TYR Y  92       9.039 -19.722  23.420  1.00 27.81           C  
-ATOM    402  CD1 TYR Y  92       8.689 -21.013  23.823  1.00 27.59           C  
-ATOM    403  CD2 TYR Y  92       9.713 -19.573  22.218  1.00 27.48           C  
-ATOM    404  CE1 TYR Y  92       8.997 -22.113  23.026  1.00 27.62           C  
-ATOM    405  CE2 TYR Y  92      10.025 -20.656  21.424  1.00 26.78           C  
-ATOM    406  CZ  TYR Y  92       9.664 -21.918  21.821  1.00 27.58           C  
-ATOM    407  OH  TYR Y  92       9.987 -22.975  20.997  1.00 28.42           O  
-ATOM    408  N   PHE Y  93       9.799 -16.035  26.163  1.00 26.34           N  
-ATOM    409  CA  PHE Y  93       9.362 -14.841  26.874  1.00 25.30           C  
-ATOM    410  C   PHE Y  93       9.045 -13.694  25.898  1.00 24.74           C  
-ATOM    411  O   PHE Y  93       9.943 -13.079  25.319  1.00 24.83           O  
-ATOM    412  CB  PHE Y  93      10.406 -14.412  27.909  1.00 25.55           C  
-ATOM    413  CG  PHE Y  93      10.890 -15.527  28.793  1.00 25.84           C  
-ATOM    414  CD1 PHE Y  93      10.194 -15.881  29.936  1.00 27.48           C  
-ATOM    415  CD2 PHE Y  93      12.059 -16.209  28.493  1.00 25.87           C  
-ATOM    416  CE1 PHE Y  93      10.661 -16.916  30.753  1.00 27.82           C  
-ATOM    417  CE2 PHE Y  93      12.533 -17.234  29.309  1.00 25.51           C  
-ATOM    418  CZ  PHE Y  93      11.840 -17.589  30.431  1.00 25.72           C  
-ATOM    419  N   TYR Y  94       7.761 -13.402  25.721  1.00 24.08           N  
-ATOM    420  CA  TYR Y  94       7.348 -12.322  24.830  1.00 23.20           C  
-ATOM    421  C   TYR Y  94       7.297 -10.972  25.551  1.00 23.36           C  
-ATOM    422  O   TYR Y  94       7.340 -10.907  26.780  1.00 23.83           O  
-ATOM    423  CB  TYR Y  94       6.000 -12.639  24.212  1.00 22.27           C  
-ATOM    424  CG  TYR Y  94       6.043 -13.612  23.069  1.00 21.17           C  
-ATOM    425  CD1 TYR Y  94       5.925 -13.174  21.757  1.00 20.82           C  
-ATOM    426  CD2 TYR Y  94       6.168 -14.983  23.293  1.00 20.72           C  
-ATOM    427  CE1 TYR Y  94       5.941 -14.074  20.690  1.00 20.51           C  
-ATOM    428  CE2 TYR Y  94       6.188 -15.893  22.236  1.00 19.16           C  
-ATOM    429  CZ  TYR Y  94       6.076 -15.432  20.943  1.00 20.56           C  
-ATOM    430  OH  TYR Y  94       6.097 -16.325  19.895  1.00 21.06           O  
-ATOM    431  N   SER Y  95       7.223  -9.896  24.781  1.00 23.24           N  
-ATOM    432  CA  SER Y  95       7.048  -8.576  25.343  1.00 23.29           C  
-ATOM    433  C   SER Y  95       6.314  -7.719  24.353  1.00 23.72           C  
-ATOM    434  O   SER Y  95       6.687  -7.631  23.183  1.00 23.57           O  
-ATOM    435  CB  SER Y  95       8.362  -7.926  25.671  1.00 22.79           C  
-ATOM    436  OG  SER Y  95       8.098  -6.637  26.164  1.00 24.00           O  
-ATOM    437  N   PHE Y  96       5.276  -7.075  24.862  1.00 24.37           N  
-ATOM    438  CA  PHE Y  96       4.237  -6.470  24.062  1.00 24.60           C  
-ATOM    439  C   PHE Y  96       3.959  -5.098  24.645  1.00 25.42           C  
-ATOM    440  O   PHE Y  96       3.671  -4.157  23.914  1.00 25.55           O  
-ATOM    441  CB  PHE Y  96       2.960  -7.294  24.174  1.00 24.10           C  
-ATOM    442  CG  PHE Y  96       3.038  -8.675  23.574  1.00 23.24           C  
-ATOM    443  CD1 PHE Y  96       3.191  -8.859  22.200  1.00 22.69           C  
-ATOM    444  CD2 PHE Y  96       2.867  -9.799  24.374  1.00 21.87           C  
-ATOM    445  CE1 PHE Y  96       3.223 -10.167  21.640  1.00 22.66           C  
-ATOM    446  CE2 PHE Y  96       2.885 -11.101  23.819  1.00 21.54           C  
-ATOM    447  CZ  PHE Y  96       3.068 -11.284  22.458  1.00 21.01           C  
-ATOM    448  N   GLY Y  97       4.039  -5.000  25.973  1.00 26.27           N  
-ATOM    449  CA  GLY Y  97       3.878  -3.734  26.688  1.00 27.20           C  
-ATOM    450  C   GLY Y  97       5.175  -2.964  26.634  1.00 28.19           C  
-ATOM    451  O   GLY Y  97       5.910  -3.058  25.643  1.00 28.36           O  
-ATOM    452  N   GLY Y  98       5.456  -2.190  27.681  1.00 28.70           N  
-ATOM    453  CA  GLY Y  98       6.684  -1.406  27.758  1.00 29.56           C  
-ATOM    454  C   GLY Y  98       7.317  -1.075  26.409  1.00 30.49           C  
-ATOM    455  O   GLY Y  98       8.542  -1.045  26.288  1.00 30.75           O  
-ATOM    456  N   CYS Y  99       6.491  -0.812  25.395  1.00 31.07           N  
-ATOM    457  CA  CYS Y  99       6.975  -0.475  24.049  1.00 31.83           C  
-ATOM    458  C   CYS Y  99       8.064   0.595  24.116  1.00 30.90           C  
-ATOM    459  O   CYS Y  99       9.202   0.379  23.691  1.00 30.99           O  
-ATOM    460  CB  CYS Y  99       5.804  -0.008  23.179  1.00 32.19           C  
-ATOM    461  SG  CYS Y  99       4.296  -1.010  23.488  1.00 36.97           S  
-ATOM    462  N   HIS Y 100       7.706   1.734  24.688  1.00 30.04           N  
-ATOM    463  CA  HIS Y 100       8.605   2.863  24.804  1.00 29.40           C  
-ATOM    464  C   HIS Y 100       9.691   2.594  25.868  1.00 29.41           C  
-ATOM    465  O   HIS Y 100      10.808   3.113  25.783  1.00 29.50           O  
-ATOM    466  CB  HIS Y 100       7.808   4.152  25.096  1.00 29.18           C  
-ATOM    467  CG  HIS Y 100       6.880   4.571  23.987  1.00 28.76           C  
-ATOM    468  ND1 HIS Y 100       5.534   4.788  24.185  1.00 28.51           N  
-ATOM    469  CD2 HIS Y 100       7.106   4.815  22.672  1.00 29.06           C  
-ATOM    470  CE1 HIS Y 100       4.971   5.147  23.043  1.00 28.91           C  
-ATOM    471  NE2 HIS Y 100       5.903   5.175  22.109  1.00 28.28           N  
-ATOM    472  N   ARG Y 101       9.365   1.758  26.849  1.00 29.19           N  
-ATOM    473  CA  ARG Y 101      10.303   1.371  27.905  1.00 28.45           C  
-ATOM    474  C   ARG Y 101      11.403   0.457  27.365  1.00 28.41           C  
-ATOM    475  O   ARG Y 101      12.554   0.529  27.807  1.00 27.83           O  
-ATOM    476  CB  ARG Y 101       9.561   0.695  29.077  1.00 28.63           C  
-ATOM    477  CG  ARG Y 101       9.014   1.662  30.136  1.00 27.60           C  
-ATOM    478  CD  ARG Y 101       8.287   0.929  31.247  1.00 27.94           C  
-ATOM    479  NE  ARG Y 101       6.896   0.631  30.902  1.00 28.13           N  
-ATOM    480  CZ  ARG Y 101       6.065  -0.112  31.632  1.00 27.25           C  
-ATOM    481  NH1 ARG Y 101       6.469  -0.677  32.764  1.00 25.84           N  
-ATOM    482  NH2 ARG Y 101       4.823  -0.310  31.206  1.00 28.33           N  
-ATOM    483  N   TYR Y 102      11.059  -0.405  26.411  1.00 28.47           N  
-ATOM    484  CA  TYR Y 102      12.066  -1.301  25.880  1.00 28.46           C  
-ATOM    485  C   TYR Y 102      13.089  -0.440  25.168  1.00 28.25           C  
-ATOM    486  O   TYR Y 102      14.257  -0.455  25.554  1.00 27.99           O  
-ATOM    487  CB  TYR Y 102      11.492  -2.403  24.982  1.00 28.79           C  
-ATOM    488  CG  TYR Y 102      12.562  -3.323  24.415  1.00 29.24           C  
-ATOM    489  CD1 TYR Y 102      13.130  -4.329  25.200  1.00 29.14           C  
-ATOM    490  CD2 TYR Y 102      13.020  -3.173  23.105  1.00 29.39           C  
-ATOM    491  CE1 TYR Y 102      14.127  -5.176  24.695  1.00 30.00           C  
-ATOM    492  CE2 TYR Y 102      14.012  -4.007  22.582  1.00 30.19           C  
-ATOM    493  CZ  TYR Y 102      14.567  -5.011  23.382  1.00 30.98           C  
-ATOM    494  OH  TYR Y 102      15.558  -5.840  22.881  1.00 30.10           O  
-ATOM    495  N   ALA Y 103      12.637   0.359  24.192  1.00 28.11           N  
-ATOM    496  CA  ALA Y 103      13.537   1.223  23.395  1.00 27.91           C  
-ATOM    497  C   ALA Y 103      14.448   2.031  24.294  1.00 28.06           C  
-ATOM    498  O   ALA Y 103      15.643   2.141  24.034  1.00 28.14           O  
-ATOM    499  CB  ALA Y 103      12.764   2.144  22.492  1.00 27.66           C  
-ATOM    500  N   ALA Y 104      13.879   2.572  25.365  1.00 28.00           N  
-ATOM    501  CA  ALA Y 104      14.638   3.354  26.321  1.00 28.18           C  
-ATOM    502  C   ALA Y 104      15.819   2.556  26.869  1.00 28.62           C  
-ATOM    503  O   ALA Y 104      16.939   3.076  26.963  1.00 29.18           O  
-ATOM    504  CB  ALA Y 104      13.746   3.812  27.440  1.00 28.10           C  
-ATOM    505  N   TYR Y 105      15.564   1.296  27.215  1.00 28.54           N  
-ATOM    506  CA  TYR Y 105      16.593   0.404  27.740  1.00 28.67           C  
-ATOM    507  C   TYR Y 105      17.584  -0.068  26.675  1.00 28.96           C  
-ATOM    508  O   TYR Y 105      18.769  -0.159  26.941  1.00 29.15           O  
-ATOM    509  CB  TYR Y 105      15.962  -0.780  28.492  1.00 28.34           C  
-ATOM    510  CG  TYR Y 105      15.687  -0.450  29.937  1.00 27.46           C  
-ATOM    511  CD1 TYR Y 105      14.495   0.168  30.335  1.00 26.86           C  
-ATOM    512  CD2 TYR Y 105      16.637  -0.705  30.899  1.00 26.42           C  
-ATOM    513  CE1 TYR Y 105      14.265   0.496  31.682  1.00 26.47           C  
-ATOM    514  CE2 TYR Y 105      16.420  -0.386  32.234  1.00 26.81           C  
-ATOM    515  CZ  TYR Y 105      15.248   0.213  32.621  1.00 27.25           C  
-ATOM    516  OH  TYR Y 105      15.095   0.495  33.957  1.00 28.11           O  
-ATOM    517  N   GLN Y 106      17.116  -0.338  25.467  1.00 29.39           N  
-ATOM    518  CA  GLN Y 106      18.039  -0.703  24.406  1.00 30.12           C  
-ATOM    519  C   GLN Y 106      18.732   0.512  23.773  1.00 30.21           C  
-ATOM    520  O   GLN Y 106      19.767   0.354  23.133  1.00 30.29           O  
-ATOM    521  CB  GLN Y 106      17.373  -1.589  23.343  1.00 30.11           C  
-ATOM    522  CG  GLN Y 106      16.508  -0.836  22.345  1.00 31.37           C  
-ATOM    523  CD  GLN Y 106      16.301  -1.601  21.040  1.00 33.64           C  
-ATOM    524  OE1 GLN Y 106      15.417  -1.263  20.243  1.00 33.32           O  
-ATOM    525  NE2 GLN Y 106      17.122  -2.633  20.811  1.00 34.36           N  
-ATOM    526  N   GLN Y 107      18.181   1.711  23.945  1.00 30.58           N  
-ATOM    527  CA  GLN Y 107      18.845   2.910  23.423  1.00 31.00           C  
-ATOM    528  C   GLN Y 107      20.032   3.182  24.313  1.00 31.29           C  
-ATOM    529  O   GLN Y 107      21.103   3.565  23.845  1.00 31.18           O  
-ATOM    530  CB  GLN Y 107      17.935   4.125  23.412  1.00 31.04           C  
-ATOM    531  CG  GLN Y 107      18.409   5.220  22.470  1.00 30.98           C  
-ATOM    532  CD  GLN Y 107      18.209   6.622  23.037  1.00 30.41           C  
-ATOM    533  OE1 GLN Y 107      18.917   7.049  23.954  1.00 29.12           O  
-ATOM    534  NE2 GLN Y 107      17.248   7.350  22.479  1.00 30.94           N  
-ATOM    535  N   LEU Y 108      19.836   2.975  25.607  1.00 31.61           N  
-ATOM    536  CA  LEU Y 108      20.957   2.825  26.493  1.00 32.03           C  
-ATOM    537  C   LEU Y 108      21.628   1.483  26.155  1.00 32.58           C  
-ATOM    538  O   LEU Y 108      21.224   0.802  25.215  1.00 32.49           O  
-ATOM    539  CB  LEU Y 108      20.499   2.911  27.948  1.00 32.11           C  
-ATOM    540  CG  LEU Y 108      19.963   4.274  28.421  1.00 32.04           C  
-ATOM    541  CD1 LEU Y 108      19.803   4.292  29.926  1.00 31.87           C  
-ATOM    542  CD2 LEU Y 108      20.856   5.431  27.983  1.00 31.57           C  
-ATOM    543  N   GLN Y 109      22.668   1.120  26.893  1.00 33.25           N  
-ATOM    544  CA  GLN Y 109      23.462  -0.075  26.593  1.00 34.00           C  
-ATOM    545  C   GLN Y 109      22.794  -1.323  27.140  1.00 33.69           C  
-ATOM    546  O   GLN Y 109      23.025  -2.430  26.643  1.00 33.81           O  
-ATOM    547  CB  GLN Y 109      24.841   0.032  27.244  1.00 34.70           C  
-ATOM    548  CG  GLN Y 109      25.211   1.438  27.760  1.00 37.53           C  
-ATOM    549  CD  GLN Y 109      24.579   1.807  29.124  1.00 40.75           C  
-ATOM    550  OE1 GLN Y 109      24.822   1.143  30.141  1.00 41.73           O  
-ATOM    551  NE2 GLN Y 109      23.795   2.896  29.144  1.00 41.37           N  
-ATOM    552  N   ARG Y 110      21.943  -1.100  28.146  1.00 32.98           N  
-ATOM    553  CA  ARG Y 110      21.506  -2.085  29.149  1.00 31.93           C  
-ATOM    554  C   ARG Y 110      21.352  -3.520  28.700  1.00 31.50           C  
-ATOM    555  O   ARG Y 110      20.737  -3.799  27.661  1.00 31.27           O  
-ATOM    556  CB  ARG Y 110      20.220  -1.605  29.816  1.00 31.65           C  
-ATOM    557  CG  ARG Y 110      20.256  -0.132  30.166  1.00 31.65           C  
-ATOM    558  CD  ARG Y 110      21.334   0.182  31.168  1.00 30.49           C  
-ATOM    559  NE  ARG Y 110      20.766   0.253  32.500  1.00 31.24           N  
-ATOM    560  CZ  ARG Y 110      20.626   1.383  33.189  1.00 32.60           C  
-ATOM    561  NH1 ARG Y 110      21.028   2.546  32.671  1.00 32.63           N  
-ATOM    562  NH2 ARG Y 110      20.078   1.355  34.401  1.00 31.50           N  
-ATOM    563  N   GLU Y 111      21.919  -4.417  29.509  1.00 30.81           N  
-ATOM    564  CA  GLU Y 111      21.806  -5.863  29.314  1.00 30.52           C  
-ATOM    565  C   GLU Y 111      20.428  -6.376  29.768  1.00 29.97           C  
-ATOM    566  O   GLU Y 111      19.763  -7.142  29.047  1.00 29.80           O  
-ATOM    567  CB  GLU Y 111      22.918  -6.601  30.076  1.00 30.59           C  
-ATOM    568  CG  GLU Y 111      24.334  -6.008  29.914  1.00 32.34           C  
-ATOM    569  CD  GLU Y 111      25.136  -6.563  28.714  1.00 33.23           C  
-ATOM    570  OE1 GLU Y 111      26.350  -6.820  28.904  1.00 34.44           O  
-ATOM    571  OE2 GLU Y 111      24.581  -6.735  27.600  1.00 30.92           O  
-ATOM    572  N   THR Y 112      20.011  -5.953  30.965  1.00 29.03           N  
-ATOM    573  CA  THR Y 112      18.735  -6.378  31.521  1.00 28.22           C  
-ATOM    574  C   THR Y 112      17.731  -5.239  31.669  1.00 27.87           C  
-ATOM    575  O   THR Y 112      18.082  -4.061  31.743  1.00 27.79           O  
-ATOM    576  CB  THR Y 112      18.874  -7.023  32.913  1.00 28.18           C  
-ATOM    577  OG1 THR Y 112      19.157  -6.011  33.877  1.00 28.08           O  
-ATOM    578  CG2 THR Y 112      19.960  -8.073  32.945  1.00 28.34           C  
-ATOM    579  N   ILE Y 113      16.464  -5.620  31.727  1.00 27.08           N  
-ATOM    580  CA  ILE Y 113      15.412  -4.690  32.052  1.00 25.94           C  
-ATOM    581  C   ILE Y 113      14.572  -5.287  33.189  1.00 25.32           C  
-ATOM    582  O   ILE Y 113      14.318  -6.500  33.204  1.00 25.17           O  
-ATOM    583  CB  ILE Y 113      14.586  -4.318  30.784  1.00 26.12           C  
-ATOM    584  CG1 ILE Y 113      13.432  -3.365  31.121  1.00 25.59           C  
-ATOM    585  CG2 ILE Y 113      14.127  -5.562  30.019  1.00 25.99           C  
-ATOM    586  CD1 ILE Y 113      12.682  -2.887  29.916  1.00 25.49           C  
-ATOM    587  N   PRO Y 114      14.196  -4.453  34.176  1.00 24.41           N  
-ATOM    588  CA  PRO Y 114      13.270  -4.889  35.204  1.00 24.30           C  
-ATOM    589  C   PRO Y 114      11.931  -5.311  34.591  1.00 24.14           C  
-ATOM    590  O   PRO Y 114      11.313  -4.515  33.847  1.00 24.42           O  
-ATOM    591  CB  PRO Y 114      13.095  -3.623  36.064  1.00 24.60           C  
-ATOM    592  CG  PRO Y 114      14.342  -2.848  35.855  1.00 24.12           C  
-ATOM    593  CD  PRO Y 114      14.643  -3.069  34.407  1.00 24.44           C  
-ATOM    594  N   ALA Y 115      11.497  -6.542  34.877  1.00 23.09           N  
-ATOM    595  CA  ALA Y 115      10.217  -7.019  34.368  1.00 22.71           C  
-ATOM    596  C   ALA Y 115       9.457  -7.940  35.334  1.00 22.76           C  
-ATOM    597  O   ALA Y 115      10.058  -8.640  36.148  1.00 22.63           O  
-ATOM    598  CB  ALA Y 115      10.401  -7.678  33.022  1.00 22.37           C  
-ATOM    599  N   LYS Y 116       8.128  -7.892  35.256  1.00 22.75           N  
-ATOM    600  CA  LYS Y 116       7.264  -8.854  35.924  1.00 22.74           C  
-ATOM    601  C   LYS Y 116       7.017  -9.987  34.949  1.00 22.53           C  
-ATOM    602  O   LYS Y 116       6.754  -9.755  33.766  1.00 22.21           O  
-ATOM    603  CB  LYS Y 116       5.918  -8.220  36.295  1.00 23.19           C  
-ATOM    604  CG  LYS Y 116       5.778  -7.685  37.715  1.00 23.73           C  
-ATOM    605  CD  LYS Y 116       4.290  -7.579  38.087  1.00 26.33           C  
-ATOM    606  CE  LYS Y 116       3.624  -6.267  37.602  1.00 27.40           C  
-ATOM    607  NZ  LYS Y 116       4.141  -5.069  38.355  1.00 27.18           N  
-ATOM    608  N   LEU Y 117       7.081 -11.214  35.442  1.00 22.77           N  
-ATOM    609  CA  LEU Y 117       6.875 -12.377  34.583  1.00 22.95           C  
-ATOM    610  C   LEU Y 117       5.436 -12.908  34.675  1.00 23.35           C  
-ATOM    611  O   LEU Y 117       4.868 -12.985  35.757  1.00 23.49           O  
-ATOM    612  CB  LEU Y 117       7.895 -13.457  34.931  1.00 22.87           C  
-ATOM    613  CG  LEU Y 117       9.309 -13.435  34.328  1.00 22.95           C  
-ATOM    614  CD1 LEU Y 117       9.569 -14.672  33.488  1.00 24.21           C  
-ATOM    615  CD2 LEU Y 117       9.600 -12.190  33.527  1.00 22.39           C  
-ATOM    616  N   VAL Y 118       4.845 -13.261  33.539  1.00 23.91           N  
-ATOM    617  CA  VAL Y 118       3.468 -13.714  33.507  1.00 24.71           C  
-ATOM    618  C   VAL Y 118       3.354 -15.025  32.756  1.00 25.79           C  
-ATOM    619  O   VAL Y 118       3.538 -15.058  31.550  1.00 25.81           O  
-ATOM    620  CB  VAL Y 118       2.522 -12.667  32.844  1.00 24.59           C  
-ATOM    621  CG1 VAL Y 118       1.098 -13.214  32.711  1.00 24.35           C  
-ATOM    622  CG2 VAL Y 118       2.493 -11.378  33.646  1.00 23.96           C  
-ATOM    623  N   GLN Y 119       3.034 -16.100  33.471  1.00 27.07           N  
-ATOM    624  CA  GLN Y 119       2.733 -17.379  32.839  1.00 28.20           C  
-ATOM    625  C   GLN Y 119       1.495 -17.217  31.981  1.00 28.77           C  
-ATOM    626  O   GLN Y 119       0.600 -16.444  32.321  1.00 28.96           O  
-ATOM    627  CB  GLN Y 119       2.508 -18.467  33.881  1.00 28.30           C  
-ATOM    628  CG  GLN Y 119       3.702 -18.697  34.813  1.00 30.02           C  
-ATOM    629  CD  GLN Y 119       3.892 -20.175  35.175  1.00 32.47           C  
-ATOM    630  OE1 GLN Y 119       3.914 -20.551  36.360  1.00 32.22           O  
-ATOM    631  NE2 GLN Y 119       4.029 -21.021  34.145  1.00 33.25           N  
-ATOM    632  N   SER Y 120       1.456 -17.929  30.860  1.00 29.29           N  
-ATOM    633  CA  SER Y 120       0.379 -17.784  29.898  1.00 30.05           C  
-ATOM    634  C   SER Y 120       0.240 -19.022  29.047  1.00 30.86           C  
-ATOM    635  O   SER Y 120       1.185 -19.800  28.893  1.00 31.05           O  
-ATOM    636  CB  SER Y 120       0.634 -16.589  28.974  1.00 30.37           C  
-ATOM    637  OG  SER Y 120       0.079 -15.392  29.489  1.00 29.95           O  
-ATOM    638  N   THR Y 121      -0.948 -19.184  28.475  1.00 31.72           N  
-ATOM    639  CA  THR Y 121      -1.266 -20.323  27.615  1.00 32.53           C  
-ATOM    640  C   THR Y 121      -0.685 -20.059  26.220  1.00 32.61           C  
-ATOM    641  O   THR Y 121       0.263 -19.289  26.083  1.00 32.81           O  
-ATOM    642  CB  THR Y 121      -2.810 -20.537  27.522  1.00 32.69           C  
-ATOM    643  OG1 THR Y 121      -3.404 -19.472  26.765  1.00 33.26           O  
-ATOM    644  CG2 THR Y 121      -3.451 -20.571  28.916  1.00 33.06           C  
-ATOM    645  N   LEU Y 122      -1.242 -20.711  25.200  1.00 32.62           N  
-ATOM    646  CA  LEU Y 122      -0.980 -20.354  23.812  1.00 32.50           C  
-ATOM    647  C   LEU Y 122      -2.174 -19.590  23.254  1.00 32.20           C  
-ATOM    648  O   LEU Y 122      -2.054 -18.885  22.252  1.00 32.23           O  
-ATOM    649  CB  LEU Y 122      -0.722 -21.595  22.958  1.00 32.68           C  
-ATOM    650  CG  LEU Y 122       0.463 -22.523  23.253  1.00 34.24           C  
-ATOM    651  CD1 LEU Y 122       0.405 -23.769  22.324  1.00 35.24           C  
-ATOM    652  CD2 LEU Y 122       1.833 -21.804  23.151  1.00 34.40           C  
-ATOM    653  N   SER Y 123      -3.329 -19.748  23.894  1.00 31.87           N  
-ATOM    654  CA  SER Y 123      -4.518 -18.986  23.526  1.00 31.94           C  
-ATOM    655  C   SER Y 123      -4.299 -17.545  23.918  1.00 31.33           C  
-ATOM    656  O   SER Y 123      -4.654 -16.643  23.166  1.00 31.53           O  
-ATOM    657  CB  SER Y 123      -5.772 -19.539  24.204  1.00 32.21           C  
-ATOM    658  OG  SER Y 123      -5.943 -20.896  23.846  1.00 33.63           O  
-ATOM    659  N   ASP Y 124      -3.706 -17.344  25.095  1.00 30.58           N  
-ATOM    660  CA  ASP Y 124      -3.194 -16.046  25.498  1.00 29.74           C  
-ATOM    661  C   ASP Y 124      -2.380 -15.460  24.359  1.00 28.76           C  
-ATOM    662  O   ASP Y 124      -2.631 -14.350  23.923  1.00 28.85           O  
-ATOM    663  CB  ASP Y 124      -2.331 -16.179  26.754  1.00 30.28           C  
-ATOM    664  CG  ASP Y 124      -3.154 -16.422  28.011  1.00 31.55           C  
-ATOM    665  OD1 ASP Y 124      -4.366 -16.134  27.989  1.00 32.15           O  
-ATOM    666  OD2 ASP Y 124      -2.588 -16.889  29.026  1.00 33.31           O  
-ATOM    667  N   LEU Y 125      -1.427 -16.229  23.850  1.00 27.92           N  
-ATOM    668  CA  LEU Y 125      -0.594 -15.770  22.752  1.00 26.72           C  
-ATOM    669  C   LEU Y 125      -1.418 -15.472  21.510  1.00 26.74           C  
-ATOM    670  O   LEU Y 125      -1.186 -14.463  20.847  1.00 26.66           O  
-ATOM    671  CB  LEU Y 125       0.517 -16.774  22.446  1.00 26.15           C  
-ATOM    672  CG  LEU Y 125       1.648 -16.303  21.529  1.00 24.48           C  
-ATOM    673  CD1 LEU Y 125       2.521 -15.220  22.156  1.00 23.90           C  
-ATOM    674  CD2 LEU Y 125       2.489 -17.460  21.144  1.00 22.35           C  
-ATOM    675  N   ARG Y 126      -2.383 -16.338  21.203  1.00 26.86           N  
-ATOM    676  CA  ARG Y 126      -3.173 -16.218  19.970  1.00 27.02           C  
-ATOM    677  C   ARG Y 126      -3.858 -14.839  19.871  1.00 26.59           C  
-ATOM    678  O   ARG Y 126      -3.953 -14.256  18.795  1.00 26.72           O  
-ATOM    679  CB  ARG Y 126      -4.158 -17.382  19.853  1.00 26.85           C  
-ATOM    680  CG  ARG Y 126      -4.699 -17.639  18.444  1.00 28.48           C  
-ATOM    681  CD  ARG Y 126      -5.135 -19.109  18.196  1.00 28.37           C  
-ATOM    682  NE  ARG Y 126      -3.996 -20.018  18.009  1.00 31.52           N  
-ATOM    683  CZ  ARG Y 126      -3.233 -20.085  16.908  1.00 32.71           C  
-ATOM    684  NH1 ARG Y 126      -3.461 -19.296  15.858  1.00 31.91           N  
-ATOM    685  NH2 ARG Y 126      -2.224 -20.953  16.852  1.00 32.55           N  
-ATOM    686  N   VAL Y 127      -4.272 -14.305  21.016  1.00 26.37           N  
-ATOM    687  CA  VAL Y 127      -4.802 -12.940  21.133  1.00 25.96           C  
-ATOM    688  C   VAL Y 127      -3.845 -11.879  20.552  1.00 25.77           C  
-ATOM    689  O   VAL Y 127      -4.275 -10.878  19.992  1.00 26.17           O  
-ATOM    690  CB  VAL Y 127      -5.119 -12.591  22.622  1.00 25.94           C  
-ATOM    691  CG1 VAL Y 127      -5.703 -11.172  22.774  1.00 24.86           C  
-ATOM    692  CG2 VAL Y 127      -6.047 -13.636  23.233  1.00 26.33           C  
-ATOM    693  N   TYR Y 128      -2.549 -12.094  20.680  1.00 25.13           N  
-ATOM    694  CA  TYR Y 128      -1.600 -11.120  20.191  1.00 24.69           C  
-ATOM    695  C   TYR Y 128      -1.209 -11.367  18.718  1.00 24.60           C  
-ATOM    696  O   TYR Y 128      -1.087 -10.421  17.939  1.00 25.00           O  
-ATOM    697  CB  TYR Y 128      -0.393 -11.032  21.143  1.00 24.63           C  
-ATOM    698  CG  TYR Y 128      -0.813 -10.653  22.550  1.00 25.09           C  
-ATOM    699  CD1 TYR Y 128      -1.098 -11.634  23.521  1.00 24.73           C  
-ATOM    700  CD2 TYR Y 128      -0.982  -9.314  22.902  1.00 25.61           C  
-ATOM    701  CE1 TYR Y 128      -1.519 -11.281  24.806  1.00 24.08           C  
-ATOM    702  CE2 TYR Y 128      -1.404  -8.944  24.181  1.00 25.10           C  
-ATOM    703  CZ  TYR Y 128      -1.667  -9.926  25.128  1.00 25.55           C  
-ATOM    704  OH  TYR Y 128      -2.083  -9.525  26.384  1.00 25.82           O  
-ATOM    705  N   LEU Y 129      -1.064 -12.626  18.317  1.00 23.93           N  
-ATOM    706  CA  LEU Y 129      -0.402 -12.911  17.043  1.00 23.47           C  
-ATOM    707  C   LEU Y 129      -1.317 -13.423  15.930  1.00 23.28           C  
-ATOM    708  O   LEU Y 129      -0.907 -13.497  14.770  1.00 22.81           O  
-ATOM    709  CB  LEU Y 129       0.812 -13.841  17.248  1.00 23.34           C  
-ATOM    710  CG  LEU Y 129       1.896 -13.463  18.271  1.00 23.09           C  
-ATOM    711  CD1 LEU Y 129       3.139 -14.313  18.058  1.00 22.38           C  
-ATOM    712  CD2 LEU Y 129       2.260 -11.973  18.237  1.00 21.59           C  
-ATOM    713  N   GLY Y 130      -2.549 -13.781  16.281  1.00 23.42           N  
-ATOM    714  CA  GLY Y 130      -3.518 -14.276  15.297  1.00 23.72           C  
-ATOM    715  C   GLY Y 130      -2.938 -15.347  14.392  1.00 23.74           C  
-ATOM    716  O   GLY Y 130      -2.348 -16.312  14.869  1.00 24.39           O  
-ATOM    717  N   ALA Y 131      -3.076 -15.174  13.083  1.00 23.62           N  
-ATOM    718  CA  ALA Y 131      -2.570 -16.171  12.137  1.00 23.46           C  
-ATOM    719  C   ALA Y 131      -1.026 -16.203  12.080  1.00 23.37           C  
-ATOM    720  O   ALA Y 131      -0.435 -17.080  11.444  1.00 23.02           O  
-ATOM    721  CB  ALA Y 131      -3.183 -15.970  10.763  1.00 22.88           C  
-ATOM    722  N   SER Y 132      -0.390 -15.253  12.767  1.00 23.22           N  
-ATOM    723  CA  SER Y 132       1.060 -15.247  12.934  1.00 23.06           C  
-ATOM    724  C   SER Y 132       1.529 -15.905  14.255  1.00 23.19           C  
-ATOM    725  O   SER Y 132       2.684 -15.730  14.678  1.00 23.29           O  
-ATOM    726  CB  SER Y 132       1.595 -13.814  12.825  1.00 22.98           C  
-ATOM    727  OG  SER Y 132       1.505 -13.323  11.499  1.00 22.53           O  
-ATOM    728  N   THR Y 133       0.648 -16.658  14.912  1.00 23.25           N  
-ATOM    729  CA  THR Y 133       1.053 -17.424  16.107  1.00 23.36           C  
-ATOM    730  C   THR Y 133       1.844 -18.677  15.672  1.00 23.59           C  
-ATOM    731  O   THR Y 133       1.408 -19.401  14.772  1.00 23.02           O  
-ATOM    732  CB  THR Y 133      -0.159 -17.800  17.010  1.00 23.25           C  
-ATOM    733  OG1 THR Y 133      -0.969 -16.640  17.234  1.00 23.06           O  
-ATOM    734  CG2 THR Y 133       0.298 -18.337  18.360  1.00 22.05           C  
-ATOM    735  N   PRO Y 134       3.023 -18.910  16.289  1.00 23.89           N  
-ATOM    736  CA  PRO Y 134       3.903 -20.020  15.900  1.00 24.28           C  
-ATOM    737  C   PRO Y 134       3.553 -21.333  16.589  1.00 24.90           C  
-ATOM    738  O   PRO Y 134       2.933 -21.322  17.657  1.00 25.23           O  
-ATOM    739  CB  PRO Y 134       5.283 -19.544  16.352  1.00 24.04           C  
-ATOM    740  CG  PRO Y 134       5.052 -18.236  17.114  1.00 23.71           C  
-ATOM    741  CD  PRO Y 134       3.605 -18.129  17.389  1.00 23.49           C  
-ATOM    742  N   ASP Y 135       3.926 -22.454  15.974  1.00 25.42           N  
-ATOM    743  CA  ASP Y 135       3.680 -23.782  16.551  1.00 26.01           C  
-ATOM    744  C   ASP Y 135       4.810 -24.017  17.539  1.00 26.20           C  
-ATOM    745  O   ASP Y 135       5.595 -24.952  17.395  1.00 26.68           O  
-ATOM    746  CB  ASP Y 135       3.636 -24.852  15.434  1.00 26.24           C  
-ATOM    747  CG  ASP Y 135       3.482 -26.317  15.959  1.00 27.38           C  
-ATOM    748  OD1 ASP Y 135       3.076 -26.561  17.128  1.00 27.05           O  
-ATOM    749  OD2 ASP Y 135       3.776 -27.245  15.162  1.00 27.87           O  
-ATOM    750  N   LEU Y 136       4.903 -23.139  18.537  1.00 26.39           N  
-ATOM    751  CA  LEU Y 136       6.016 -23.146  19.486  1.00 26.49           C  
-ATOM    752  C   LEU Y 136       6.358 -24.550  19.998  1.00 26.93           C  
-ATOM    753  O   LEU Y 136       5.472 -25.389  20.217  1.00 26.59           O  
-ATOM    754  CB  LEU Y 136       5.732 -22.205  20.663  1.00 26.36           C  
-ATOM    755  CG  LEU Y 136       5.572 -20.690  20.433  1.00 26.41           C  
-ATOM    756  CD1 LEU Y 136       5.246 -19.985  21.736  1.00 24.79           C  
-ATOM    757  CD2 LEU Y 136       6.816 -20.068  19.807  1.00 24.92           C  
-ATOM    758  N   GLN Y 137       7.651 -24.802  20.185  1.00 27.34           N  
-ATOM    759  CA  GLN Y 137       8.097 -26.109  20.656  1.00 27.49           C  
-ATOM    760  C   GLN Y 137       8.909 -26.047  21.946  1.00 27.77           C  
-ATOM    761  O   GLN Y 137       8.439 -26.509  22.998  1.00 27.96           O  
-ATOM    762  CB  GLN Y 137       8.860 -26.829  19.548  1.00 27.40           C  
-ATOM    763  CG  GLN Y 137       7.967 -27.236  18.396  1.00 27.59           C  
-ATOM    764  CD  GLN Y 137       6.866 -28.198  18.816  1.00 28.25           C  
-ATOM    765  OE1 GLN Y 137       7.006 -28.926  19.803  1.00 29.93           O  
-ATOM    766  NE2 GLN Y 137       5.773 -28.219  18.059  1.00 27.29           N  
-ATOM    767  OXT GLN Y 137      10.038 -25.534  21.967  1.00 27.75           O  

Deleted: SwiftApps/modFTDock/input/2rnl-1.pdb
===================================================================
--- SwiftApps/modFTDock/input/2rnl-1.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/2rnl-1.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,737 +0,0 @@
-ATOM      1  N   GLY A   1      27.239 -11.122   7.890  1.00  0.00           N  
-ATOM      2  CA  GLY A   1      28.054 -10.936   9.076  1.00  0.00           C  
-ATOM      3  C   GLY A   1      27.301 -11.252  10.353  1.00  0.00           C  
-ATOM      4  O   GLY A   1      26.958 -12.406  10.610  1.00  0.00           O  
-ATOM      5  H1  GLY A   1      26.417 -10.600   7.775  1.00  0.00           H  
-ATOM      6  HA2 GLY A   1      28.918 -11.581   9.011  1.00  0.00           H  
-ATOM      7  HA3 GLY A   1      28.386  -9.909   9.113  1.00  0.00           H  
-ATOM      8  N   SER A   2      27.044 -10.224  11.156  1.00  0.00           N  
-ATOM      9  CA  SER A   2      26.331 -10.399  12.416  1.00  0.00           C  
-ATOM     10  C   SER A   2      25.148  -9.440  12.509  1.00  0.00           C  
-ATOM     11  O   SER A   2      24.974  -8.568  11.658  1.00  0.00           O  
-ATOM     12  CB  SER A   2      27.278 -10.173  13.597  1.00  0.00           C  
-ATOM     13  OG  SER A   2      26.745 -10.721  14.790  1.00  0.00           O  
-ATOM     14  H   SER A   2      27.343  -9.328  10.896  1.00  0.00           H  
-ATOM     15  HA  SER A   2      25.962 -11.413  12.451  1.00  0.00           H  
-ATOM     16  HB2 SER A   2      28.226 -10.646  13.391  1.00  0.00           H  
-ATOM     17  HB3 SER A   2      27.428  -9.112  13.738  1.00  0.00           H  
-ATOM     18  HG  SER A   2      26.523 -10.012  15.398  1.00  0.00           H  
-ATOM     19  N   SER A   3      24.337  -9.609  13.548  1.00  0.00           N  
-ATOM     20  CA  SER A   3      23.167  -8.763  13.751  1.00  0.00           C  
-ATOM     21  C   SER A   3      23.582  -7.325  14.048  1.00  0.00           C  
-ATOM     22  O   SER A   3      24.768  -7.023  14.175  1.00  0.00           O  
-ATOM     23  CB  SER A   3      22.311  -9.306  14.896  1.00  0.00           C  
-ATOM     24  OG  SER A   3      22.931  -9.078  16.150  1.00  0.00           O  
-ATOM     25  H   SER A   3      24.529 -10.323  14.192  1.00  0.00           H  
-ATOM     26  HA  SER A   3      22.586  -8.776  12.841  1.00  0.00           H  
-ATOM     27  HB2 SER A   3      21.350  -8.813  14.889  1.00  0.00           H  
-ATOM     28  HB3 SER A   3      22.171 -10.369  14.765  1.00  0.00           H  
-ATOM     29  HG  SER A   3      23.885  -9.098  16.043  1.00  0.00           H  
-ATOM     30  N   GLY A   4      22.595  -6.441  14.158  1.00  0.00           N  
-ATOM     31  CA  GLY A   4      22.876  -5.046  14.440  1.00  0.00           C  
-ATOM     32  C   GLY A   4      21.889  -4.109  13.773  1.00  0.00           C  
-ATOM     33  O   GLY A   4      22.280  -3.219  13.017  1.00  0.00           O  
-ATOM     34  H   GLY A   4      21.668  -6.739  14.047  1.00  0.00           H  
-ATOM     35  HA2 GLY A   4      22.839  -4.890  15.508  1.00  0.00           H  
-ATOM     36  HA3 GLY A   4      23.870  -4.813  14.087  1.00  0.00           H  
-ATOM     37  N   SER A   5      20.605  -4.310  14.050  1.00  0.00           N  
-ATOM     38  CA  SER A   5      19.557  -3.480  13.467  1.00  0.00           C  
-ATOM     39  C   SER A   5      19.790  -2.007  13.788  1.00  0.00           C  
-ATOM     40  O   SER A   5      19.591  -1.567  14.920  1.00  0.00           O  
-ATOM     41  CB  SER A   5      18.185  -3.915  13.984  1.00  0.00           C  
-ATOM     42  OG  SER A   5      17.153  -3.490  13.111  1.00  0.00           O  
-ATOM     43  H   SER A   5      20.356  -5.036  14.660  1.00  0.00           H  
-ATOM     44  HA  SER A   5      19.587  -3.612  12.396  1.00  0.00           H  
-ATOM     45  HB2 SER A   5      18.156  -4.991  14.059  1.00  0.00           H  
-ATOM     46  HB3 SER A   5      18.017  -3.481  14.960  1.00  0.00           H  
-ATOM     47  HG  SER A   5      17.440  -2.710  12.631  1.00  0.00           H  
-ATOM     48  N   SER A   6      20.214  -1.248  12.781  1.00  0.00           N  
-ATOM     49  CA  SER A   6      20.479   0.175  12.956  1.00  0.00           C  
-ATOM     50  C   SER A   6      19.301   1.011  12.464  1.00  0.00           C  
-ATOM     51  O   SER A   6      19.034   1.083  11.265  1.00  0.00           O  
-ATOM     52  CB  SER A   6      21.751   0.574  12.205  1.00  0.00           C  
-ATOM     53  OG  SER A   6      22.890  -0.059  12.760  1.00  0.00           O  
-ATOM     54  H   SER A   6      20.355  -1.657  11.902  1.00  0.00           H  
-ATOM     55  HA  SER A   6      20.621   0.359  14.010  1.00  0.00           H  
-ATOM     56  HB2 SER A   6      21.661   0.284  11.169  1.00  0.00           H  
-ATOM     57  HB3 SER A   6      21.881   1.645  12.268  1.00  0.00           H  
-ATOM     58  HG  SER A   6      23.226   0.467  13.489  1.00  0.00           H  
-ATOM     59  N   GLY A   7      18.599   1.641  13.401  1.00  0.00           N  
-ATOM     60  CA  GLY A   7      17.457   2.463  13.045  1.00  0.00           C  
-ATOM     61  C   GLY A   7      16.501   1.753  12.107  1.00  0.00           C  
-ATOM     62  O   GLY A   7      16.707   1.737  10.893  1.00  0.00           O  
-ATOM     63  H   GLY A   7      18.858   1.547  14.341  1.00  0.00           H  
-ATOM     64  HA2 GLY A   7      16.927   2.734  13.946  1.00  0.00           H  
-ATOM     65  HA3 GLY A   7      17.812   3.363  12.564  1.00  0.00           H  
-ATOM     66  N   LYS A   8      15.452   1.163  12.670  1.00  0.00           N  
-ATOM     67  CA  LYS A   8      14.460   0.447  11.877  1.00  0.00           C  
-ATOM     68  C   LYS A   8      13.319   1.372  11.468  1.00  0.00           C  
-ATOM     69  O   LYS A   8      12.687   2.006  12.314  1.00  0.00           O  
-ATOM     70  CB  LYS A   8      13.909  -0.743  12.665  1.00  0.00           C  
-ATOM     71  CG  LYS A   8      12.733  -1.428  11.990  1.00  0.00           C  
-ATOM     72  CD  LYS A   8      12.049  -2.412  12.925  1.00  0.00           C  
-ATOM     73  CE  LYS A   8      12.869  -3.682  13.093  1.00  0.00           C  
-ATOM     74  NZ  LYS A   8      12.115  -4.735  13.829  1.00  0.00           N  
-ATOM     75  H   LYS A   8      15.342   1.210  13.643  1.00  0.00           H  
-ATOM     76  HA  LYS A   8      14.948   0.082  10.985  1.00  0.00           H  
-ATOM     77  HB2 LYS A   8      14.697  -1.470  12.795  1.00  0.00           H  
-ATOM     78  HB3 LYS A   8      13.587  -0.397  13.637  1.00  0.00           H  
-ATOM     79  HG2 LYS A   8      12.017  -0.679  11.687  1.00  0.00           H  
-ATOM     80  HG3 LYS A   8      13.090  -1.961  11.120  1.00  0.00           H  
-ATOM     81  HD2 LYS A   8      11.922  -1.948  13.892  1.00  0.00           H  
-ATOM     82  HD3 LYS A   8      11.082  -2.669  12.517  1.00  0.00           H  
-ATOM     83  HE2 LYS A   8      13.133  -4.057  12.116  1.00  0.00           H  
-ATOM     84  HE3 LYS A   8      13.768  -3.445  13.643  1.00  0.00           H  
-ATOM     85  HZ1 LYS A   8      12.287  -5.665  13.398  1.00  0.00           H  
-ATOM     86  HZ2 LYS A   8      11.095  -4.533  13.796  1.00  0.00           H  
-ATOM     87  HZ3 LYS A   8      12.419  -4.764  14.823  1.00  0.00           H  
-ATOM     88  N   LYS A   9      13.058   1.445  10.167  1.00  0.00           N  
-ATOM     89  CA  LYS A   9      11.991   2.291   9.646  1.00  0.00           C  
-ATOM     90  C   LYS A   9      11.500   1.777   8.296  1.00  0.00           C  
-ATOM     91  O   LYS A   9      12.297   1.397   7.440  1.00  0.00           O  
-ATOM     92  CB  LYS A   9      12.478   3.735   9.508  1.00  0.00           C  
-ATOM     93  CG  LYS A   9      11.356   4.758   9.507  1.00  0.00           C  
-ATOM     94  CD  LYS A   9      11.855   6.134   9.915  1.00  0.00           C  
-ATOM     95  CE  LYS A   9      10.960   7.236   9.369  1.00  0.00           C  
-ATOM     96  NZ  LYS A   9      11.414   8.586   9.805  1.00  0.00           N  
-ATOM     97  H   LYS A   9      13.597   0.915   9.542  1.00  0.00           H  
-ATOM     98  HA  LYS A   9      11.172   2.262  10.349  1.00  0.00           H  
-ATOM     99  HB2 LYS A   9      13.141   3.959  10.331  1.00  0.00           H  
-ATOM    100  HB3 LYS A   9      13.025   3.830   8.581  1.00  0.00           H  
-ATOM    101  HG2 LYS A   9      10.937   4.819   8.514  1.00  0.00           H  
-ATOM    102  HG3 LYS A   9      10.592   4.441  10.203  1.00  0.00           H  
-ATOM    103  HD2 LYS A   9      11.868   6.198  10.993  1.00  0.00           H  
-ATOM    104  HD3 LYS A   9      12.856   6.272   9.532  1.00  0.00           H  
-ATOM    105  HE2 LYS A   9      10.974   7.192   8.291  1.00  0.00           H  
-ATOM    106  HE3 LYS A   9       9.953   7.072   9.722  1.00  0.00           H  
-ATOM    107  HZ1 LYS A   9      11.097   8.772  10.778  1.00  0.00           H  
-ATOM    108  HZ2 LYS A   9      11.018   9.315   9.177  1.00  0.00           H  
-ATOM    109  HZ3 LYS A   9      12.451   8.642   9.772  1.00  0.00           H  
-ATOM    110  N   ASN A  10      10.184   1.772   8.114  1.00  0.00           N  
-ATOM    111  CA  ASN A  10       9.587   1.306   6.867  1.00  0.00           C  
-ATOM    112  C   ASN A  10       9.056   2.478   6.047  1.00  0.00           C  
-ATOM    113  O   ASN A  10       8.588   3.482   6.584  1.00  0.00           O  
-ATOM    114  CB  ASN A  10       8.455   0.317   7.157  1.00  0.00           C  
-ATOM    115  CG  ASN A  10       8.942  -0.921   7.884  1.00  0.00           C  
-ATOM    116  OD1 ASN A  10       9.540  -0.831   8.956  1.00  0.00           O  
-ATOM    117  ND2 ASN A  10       8.688  -2.087   7.302  1.00  0.00           N  
-ATOM    118  H   ASN A  10       9.599   2.087   8.835  1.00  0.00           H  
-ATOM    119  HA  ASN A  10      10.355   0.803   6.300  1.00  0.00           H  
-ATOM    120  HB2 ASN A  10       7.711   0.802   7.772  1.00  0.00           H  
-ATOM    121  HB3 ASN A  10       8.004   0.012   6.225  1.00  0.00           H  
-ATOM    122 HD21 ASN A  10       8.207  -2.083   6.447  1.00  0.00           H  
-ATOM    123 HD22 ASN A  10       8.990  -2.904   7.750  1.00  0.00           H  
-ATOM    124  N   PRO A  11       9.128   2.348   4.714  1.00  0.00           N  
-ATOM    125  CA  PRO A  11       8.658   3.385   3.791  1.00  0.00           C  
-ATOM    126  C   PRO A  11       7.139   3.519   3.794  1.00  0.00           C  
-ATOM    127  O   PRO A  11       6.588   4.462   3.226  1.00  0.00           O  
-ATOM    128  CB  PRO A  11       9.149   2.895   2.427  1.00  0.00           C  
-ATOM    129  CG  PRO A  11       9.270   1.418   2.576  1.00  0.00           C  
-ATOM    130  CD  PRO A  11       9.673   1.178   4.005  1.00  0.00           C  
-ATOM    131  HA  PRO A  11       9.103   4.344   4.013  1.00  0.00           H  
-ATOM    132  HB2 PRO A  11       8.427   3.158   1.666  1.00  0.00           H  
-ATOM    133  HB3 PRO A  11      10.102   3.348   2.199  1.00  0.00           H  
-ATOM    134  HG2 PRO A  11       8.320   0.948   2.371  1.00  0.00           H  
-ATOM    135  HG3 PRO A  11      10.029   1.042   1.906  1.00  0.00           H  
-ATOM    136  HD2 PRO A  11       9.231   0.264   4.374  1.00  0.00           H  
-ATOM    137  HD3 PRO A  11      10.749   1.142   4.093  1.00  0.00           H  
-ATOM    138  N   CYS A  12       6.467   2.571   4.438  1.00  0.00           N  
-ATOM    139  CA  CYS A  12       5.011   2.582   4.515  1.00  0.00           C  
-ATOM    140  C   CYS A  12       4.518   3.794   5.301  1.00  0.00           C  
-ATOM    141  O   CYS A  12       3.400   4.265   5.098  1.00  0.00           O  
-ATOM    142  CB  CYS A  12       4.504   1.295   5.169  1.00  0.00           C  
-ATOM    143  SG  CYS A  12       4.311  -0.100   4.014  1.00  0.00           S  
-ATOM    144  H   CYS A  12       6.963   1.844   4.872  1.00  0.00           H  
-ATOM    145  HA  CYS A  12       4.626   2.640   3.509  1.00  0.00           H  
-ATOM    146  HB2 CYS A  12       5.202   0.991   5.936  1.00  0.00           H  
-ATOM    147  HB3 CYS A  12       3.542   1.485   5.621  1.00  0.00           H  
-ATOM    148  N   ASN A  13       5.361   4.292   6.200  1.00  0.00           N  
-ATOM    149  CA  ASN A  13       5.011   5.449   7.017  1.00  0.00           C  
-ATOM    150  C   ASN A  13       6.074   6.537   6.902  1.00  0.00           C  
-ATOM    151  O   ASN A  13       6.087   7.490   7.681  1.00  0.00           O  
-ATOM    152  CB  ASN A  13       4.845   5.034   8.480  1.00  0.00           C  
-ATOM    153  CG  ASN A  13       6.140   4.531   9.089  1.00  0.00           C  
-ATOM    154  OD1 ASN A  13       6.760   5.212   9.906  1.00  0.00           O  
-ATOM    155  ND2 ASN A  13       6.555   3.334   8.691  1.00  0.00           N  
-ATOM    156  H   ASN A  13       6.239   3.873   6.316  1.00  0.00           H  
-ATOM    157  HA  ASN A  13       4.072   5.839   6.654  1.00  0.00           H  
-ATOM    158  HB2 ASN A  13       4.508   5.885   9.053  1.00  0.00           H  
-ATOM    159  HB3 ASN A  13       4.109   4.247   8.544  1.00  0.00           H  
-ATOM    160 HD21 ASN A  13       6.010   2.848   8.037  1.00  0.00           H  
-ATOM    161 HD22 ASN A  13       7.388   2.984   9.070  1.00  0.00           H  
-ATOM    162  N   ALA A  14       6.963   6.388   5.926  1.00  0.00           N  
-ATOM    163  CA  ALA A  14       8.028   7.359   5.708  1.00  0.00           C  
-ATOM    164  C   ALA A  14       7.762   8.194   4.460  1.00  0.00           C  
-ATOM    165  O   ALA A  14       7.813   9.423   4.502  1.00  0.00           O  
-ATOM    166  CB  ALA A  14       9.371   6.653   5.596  1.00  0.00           C  
-ATOM    167  H   ALA A  14       6.901   5.607   5.338  1.00  0.00           H  
-ATOM    168  HA  ALA A  14       8.064   8.014   6.566  1.00  0.00           H  
-ATOM    169  HB1 ALA A  14       9.683   6.636   4.562  1.00  0.00           H  
-ATOM    170  HB2 ALA A  14      10.106   7.182   6.185  1.00  0.00           H  
-ATOM    171  HB3 ALA A  14       9.277   5.641   5.961  1.00  0.00           H  
-ATOM    172  N   GLU A  15       7.479   7.519   3.350  1.00  0.00           N  
-ATOM    173  CA  GLU A  15       7.207   8.200   2.090  1.00  0.00           C  
-ATOM    174  C   GLU A  15       5.882   7.733   1.494  1.00  0.00           C  
-ATOM    175  O   GLU A  15       5.151   8.516   0.888  1.00  0.00           O  
-ATOM    176  CB  GLU A  15       8.343   7.953   1.095  1.00  0.00           C  
-ATOM    177  CG  GLU A  15       8.225   8.772  -0.179  1.00  0.00           C  
-ATOM    178  CD  GLU A  15       9.534   8.860  -0.939  1.00  0.00           C  
-ATOM    179  OE1 GLU A  15      10.600   8.759  -0.296  1.00  0.00           O  
-ATOM    180  OE2 GLU A  15       9.493   9.030  -2.175  1.00  0.00           O  
-ATOM    181  H   GLU A  15       7.454   6.540   3.380  1.00  0.00           H  
-ATOM    182  HA  GLU A  15       7.143   9.259   2.293  1.00  0.00           H  
-ATOM    183  HB2 GLU A  15       9.281   8.196   1.570  1.00  0.00           H  
-ATOM    184  HB3 GLU A  15       8.347   6.907   0.826  1.00  0.00           H  
-ATOM    185  HG2 GLU A  15       7.485   8.315  -0.819  1.00  0.00           H  
-ATOM    186  HG3 GLU A  15       7.908   9.772   0.079  1.00  0.00           H  
-ATOM    187  N   PHE A  16       5.581   6.451   1.670  1.00  0.00           N  
-ATOM    188  CA  PHE A  16       4.346   5.877   1.148  1.00  0.00           C  
-ATOM    189  C   PHE A  16       3.223   5.978   2.176  1.00  0.00           C  
-ATOM    190  O   PHE A  16       2.219   5.273   2.084  1.00  0.00           O  
-ATOM    191  CB  PHE A  16       4.564   4.414   0.756  1.00  0.00           C  
-ATOM    192  CG  PHE A  16       5.538   4.235  -0.373  1.00  0.00           C  
-ATOM    193  CD1 PHE A  16       6.898   4.400  -0.165  1.00  0.00           C  
-ATOM    194  CD2 PHE A  16       5.094   3.901  -1.642  1.00  0.00           C  
-ATOM    195  CE1 PHE A  16       7.796   4.236  -1.202  1.00  0.00           C  
-ATOM    196  CE2 PHE A  16       5.988   3.735  -2.683  1.00  0.00           C  
-ATOM    197  CZ  PHE A  16       7.341   3.902  -2.463  1.00  0.00           C  
-ATOM    198  H   PHE A  16       6.205   5.876   2.161  1.00  0.00           H  
-ATOM    199  HA  PHE A  16       4.066   6.439   0.270  1.00  0.00           H  
-ATOM    200  HB2 PHE A  16       4.942   3.873   1.610  1.00  0.00           H  
-ATOM    201  HB3 PHE A  16       3.620   3.986   0.453  1.00  0.00           H  
-ATOM    202  HD1 PHE A  16       7.256   4.660   0.821  1.00  0.00           H  
-ATOM    203  HD2 PHE A  16       4.035   3.769  -1.816  1.00  0.00           H  
-ATOM    204  HE1 PHE A  16       8.854   4.367  -1.027  1.00  0.00           H  
-ATOM    205  HE2 PHE A  16       5.628   3.474  -3.668  1.00  0.00           H  
-ATOM    206  HZ  PHE A  16       8.041   3.774  -3.275  1.00  0.00           H  
-ATOM    207  N   GLN A  17       3.402   6.860   3.154  1.00  0.00           N  
-ATOM    208  CA  GLN A  17       2.404   7.053   4.201  1.00  0.00           C  
-ATOM    209  C   GLN A  17       1.073   7.499   3.607  1.00  0.00           C  
-ATOM    210  O   GLN A  17       0.008   7.169   4.128  1.00  0.00           O  
-ATOM    211  CB  GLN A  17       2.895   8.084   5.218  1.00  0.00           C  
-ATOM    212  CG  GLN A  17       2.761   9.521   4.741  1.00  0.00           C  
-ATOM    213  CD  GLN A  17       3.643  10.479   5.517  1.00  0.00           C  
-ATOM    214  OE1 GLN A  17       4.585  11.054   4.972  1.00  0.00           O  
-ATOM    215  NE2 GLN A  17       3.342  10.655   6.799  1.00  0.00           N  
-ATOM    216  H   GLN A  17       4.223   7.393   3.173  1.00  0.00           H  
-ATOM    217  HA  GLN A  17       2.262   6.107   4.701  1.00  0.00           H  
-ATOM    218  HB2 GLN A  17       2.323   7.974   6.128  1.00  0.00           H  
-ATOM    219  HB3 GLN A  17       3.936   7.894   5.432  1.00  0.00           H  
-ATOM    220  HG2 GLN A  17       3.037   9.568   3.698  1.00  0.00           H  
-ATOM    221  HG3 GLN A  17       1.732   9.830   4.854  1.00  0.00           H  
-ATOM    222 HE21 GLN A  17       2.578  10.162   7.166  1.00  0.00           H  
-ATOM    223 HE22 GLN A  17       3.896  11.267   7.324  1.00  0.00           H  
-ATOM    224  N   ASN A  18       1.140   8.253   2.515  1.00  0.00           N  
-ATOM    225  CA  ASN A  18      -0.061   8.747   1.851  1.00  0.00           C  
-ATOM    226  C   ASN A  18      -0.504   7.791   0.747  1.00  0.00           C  
-ATOM    227  O   ASN A  18      -1.161   8.195  -0.212  1.00  0.00           O  
-ATOM    228  CB  ASN A  18       0.189  10.138   1.266  1.00  0.00           C  
-ATOM    229  CG  ASN A  18       1.126  10.104   0.074  1.00  0.00           C  
-ATOM    230  OD1 ASN A  18       1.898   9.160  -0.096  1.00  0.00           O  
-ATOM    231  ND2 ASN A  18       1.062  11.136  -0.759  1.00  0.00           N  
-ATOM    232  H   ASN A  18       2.019   8.484   2.146  1.00  0.00           H  
-ATOM    233  HA  ASN A  18      -0.845   8.813   2.590  1.00  0.00           H  
-ATOM    234  HB2 ASN A  18      -0.752  10.563   0.947  1.00  0.00           H  
-ATOM    235  HB3 ASN A  18       0.626  10.769   2.026  1.00  0.00           H  
-ATOM    236 HD21 ASN A  18       0.422  11.852  -0.561  1.00  0.00           H  
-ATOM    237 HD22 ASN A  18       1.656  11.140  -1.539  1.00  0.00           H  
-ATOM    238  N   PHE A  19      -0.140   6.521   0.891  1.00  0.00           N  
-ATOM    239  CA  PHE A  19      -0.500   5.507  -0.093  1.00  0.00           C  
-ATOM    240  C   PHE A  19      -1.615   4.608   0.434  1.00  0.00           C  
-ATOM    241  O   PHE A  19      -2.726   4.601  -0.097  1.00  0.00           O  
-ATOM    242  CB  PHE A  19       0.723   4.662  -0.456  1.00  0.00           C  
-ATOM    243  CG  PHE A  19       0.593   3.954  -1.775  1.00  0.00           C  
-ATOM    244  CD1 PHE A  19      -0.505   3.152  -2.040  1.00  0.00           C  
-ATOM    245  CD2 PHE A  19       1.568   4.092  -2.749  1.00  0.00           C  
-ATOM    246  CE1 PHE A  19      -0.627   2.499  -3.252  1.00  0.00           C  
-ATOM    247  CE2 PHE A  19       1.452   3.442  -3.964  1.00  0.00           C  
-ATOM    248  CZ  PHE A  19       0.352   2.646  -4.216  1.00  0.00           C  
-ATOM    249  H   PHE A  19       0.383   6.260   1.678  1.00  0.00           H  
-ATOM    250  HA  PHE A  19      -0.851   6.015  -0.978  1.00  0.00           H  
-ATOM    251  HB2 PHE A  19       1.591   5.301  -0.508  1.00  0.00           H  
-ATOM    252  HB3 PHE A  19       0.876   3.916   0.309  1.00  0.00           H  
-ATOM    253  HD1 PHE A  19      -1.272   3.037  -1.288  1.00  0.00           H  
-ATOM    254  HD2 PHE A  19       2.429   4.716  -2.553  1.00  0.00           H  
-ATOM    255  HE1 PHE A  19      -1.487   1.877  -3.447  1.00  0.00           H  
-ATOM    256  HE2 PHE A  19       2.219   3.559  -4.715  1.00  0.00           H  
-ATOM    257  HZ  PHE A  19       0.260   2.137  -5.163  1.00  0.00           H  
-ATOM    258  N   CYS A  20      -1.310   3.851   1.482  1.00  0.00           N  
-ATOM    259  CA  CYS A  20      -2.284   2.947   2.082  1.00  0.00           C  
-ATOM    260  C   CYS A  20      -3.304   3.720   2.913  1.00  0.00           C  
-ATOM    261  O   CYS A  20      -3.114   3.927   4.112  1.00  0.00           O  
-ATOM    262  CB  CYS A  20      -1.577   1.910   2.958  1.00  0.00           C  
-ATOM    263  SG  CYS A  20       0.019   1.339   2.292  1.00  0.00           S  
-ATOM    264  H   CYS A  20      -0.407   3.901   1.862  1.00  0.00           H  
-ATOM    265  HA  CYS A  20      -2.801   2.438   1.283  1.00  0.00           H  
-ATOM    266  HB2 CYS A  20      -1.391   2.340   3.932  1.00  0.00           H  
-ATOM    267  HB3 CYS A  20      -2.216   1.047   3.068  1.00  0.00           H  
-ATOM    268  N   ILE A  21      -4.385   4.144   2.267  1.00  0.00           N  
-ATOM    269  CA  ILE A  21      -5.435   4.893   2.947  1.00  0.00           C  
-ATOM    270  C   ILE A  21      -6.099   4.050   4.030  1.00  0.00           C  
-ATOM    271  O   ILE A  21      -6.046   4.387   5.213  1.00  0.00           O  
-ATOM    272  CB  ILE A  21      -6.512   5.376   1.957  1.00  0.00           C  
-ATOM    273  CG1 ILE A  21      -5.884   6.263   0.879  1.00  0.00           C  
-ATOM    274  CG2 ILE A  21      -7.610   6.127   2.695  1.00  0.00           C  
-ATOM    275  CD1 ILE A  21      -6.781   6.485  -0.318  1.00  0.00           C  
-ATOM    276  H   ILE A  21      -4.479   3.948   1.312  1.00  0.00           H  
-ATOM    277  HA  ILE A  21      -4.982   5.759   3.406  1.00  0.00           H  
-ATOM    278  HB  ILE A  21      -6.953   4.510   1.488  1.00  0.00           H  
-ATOM    279 HG12 ILE A  21      -5.654   7.227   1.304  1.00  0.00           H  
-ATOM    280 HG13 ILE A  21      -4.972   5.801   0.531  1.00  0.00           H  
-ATOM    281 HG21 ILE A  21      -7.731   5.709   3.683  1.00  0.00           H  
-ATOM    282 HG22 ILE A  21      -7.341   7.169   2.776  1.00  0.00           H  
-ATOM    283 HG23 ILE A  21      -8.537   6.036   2.149  1.00  0.00           H  
-ATOM    284 HD11 ILE A  21      -6.431   5.885  -1.146  1.00  0.00           H  
-ATOM    285 HD12 ILE A  21      -7.792   6.199  -0.069  1.00  0.00           H  
-ATOM    286 HD13 ILE A  21      -6.759   7.528  -0.596  1.00  0.00           H  
-ATOM    287  N   HIS A  22      -6.722   2.950   3.618  1.00  0.00           N  
-ATOM    288  CA  HIS A  22      -7.394   2.056   4.554  1.00  0.00           C  
-ATOM    289  C   HIS A  22      -6.948   0.612   4.342  1.00  0.00           C  
-ATOM    290  O   HIS A  22      -7.524  -0.113   3.533  1.00  0.00           O  
-ATOM    291  CB  HIS A  22      -8.911   2.162   4.394  1.00  0.00           C  
-ATOM    292  CG  HIS A  22      -9.439   3.548   4.606  1.00  0.00           C  
-ATOM    293  ND1 HIS A  22      -9.208   4.275   5.754  1.00  0.00           N  
-ATOM    294  CD2 HIS A  22     -10.191   4.340   3.806  1.00  0.00           C  
-ATOM    295  CE1 HIS A  22      -9.796   5.453   5.653  1.00  0.00           C  
-ATOM    296  NE2 HIS A  22     -10.399   5.518   4.480  1.00  0.00           N  
-ATOM    297  H   HIS A  22      -6.729   2.735   2.663  1.00  0.00           H  
-ATOM    298  HA  HIS A  22      -7.124   2.360   5.555  1.00  0.00           H  
-ATOM    299  HB2 HIS A  22      -9.183   1.853   3.396  1.00  0.00           H  
-ATOM    300  HB3 HIS A  22      -9.389   1.511   5.112  1.00  0.00           H  
-ATOM    301  HD1 HIS A  22      -8.691   3.971   6.529  1.00  0.00           H  
-ATOM    302  HD2 HIS A  22     -10.560   4.092   2.821  1.00  0.00           H  
-ATOM    303  HE1 HIS A  22      -9.785   6.232   6.401  1.00  0.00           H  
-ATOM    304  HE2 HIS A  22     -10.981   6.249   4.184  1.00  0.00           H  
-ATOM    305  N   GLY A  23      -5.917   0.202   5.076  1.00  0.00           N  
-ATOM    306  CA  GLY A  23      -5.412  -1.152   4.952  1.00  0.00           C  
-ATOM    307  C   GLY A  23      -4.060  -1.329   5.615  1.00  0.00           C  
-ATOM    308  O   GLY A  23      -3.416  -0.352   5.995  1.00  0.00           O  
-ATOM    309  H   GLY A  23      -5.497   0.825   5.705  1.00  0.00           H  
-ATOM    310  HA2 GLY A  23      -6.116  -1.831   5.409  1.00  0.00           H  
-ATOM    311  HA3 GLY A  23      -5.320  -1.396   3.904  1.00  0.00           H  
-ATOM    312  N   GLU A  24      -3.629  -2.579   5.754  1.00  0.00           N  
-ATOM    313  CA  GLU A  24      -2.346  -2.879   6.378  1.00  0.00           C  
-ATOM    314  C   GLU A  24      -1.211  -2.779   5.363  1.00  0.00           C  
-ATOM    315  O   GLU A  24      -1.251  -3.408   4.305  1.00  0.00           O  
-ATOM    316  CB  GLU A  24      -2.370  -4.279   6.997  1.00  0.00           C  
-ATOM    317  CG  GLU A  24      -1.305  -4.492   8.060  1.00  0.00           C  
-ATOM    318  CD  GLU A  24      -0.988  -5.958   8.281  1.00  0.00           C  
-ATOM    319  OE1 GLU A  24      -0.337  -6.564   7.404  1.00  0.00           O  
-ATOM    320  OE2 GLU A  24      -1.390  -6.500   9.332  1.00  0.00           O  
-ATOM    321  H   GLU A  24      -4.188  -3.316   5.431  1.00  0.00           H  
-ATOM    322  HA  GLU A  24      -2.179  -2.154   7.159  1.00  0.00           H  
-ATOM    323  HB2 GLU A  24      -3.337  -4.444   7.447  1.00  0.00           H  
-ATOM    324  HB3 GLU A  24      -2.218  -5.007   6.214  1.00  0.00           H  
-ATOM    325  HG2 GLU A  24      -0.402  -3.987   7.753  1.00  0.00           H  
-ATOM    326  HG3 GLU A  24      -1.654  -4.070   8.990  1.00  0.00           H  
-ATOM    327  N   CYS A  25      -0.199  -1.983   5.693  1.00  0.00           N  
-ATOM    328  CA  CYS A  25       0.947  -1.798   4.812  1.00  0.00           C  
-ATOM    329  C   CYS A  25       2.103  -2.704   5.225  1.00  0.00           C  
-ATOM    330  O   CYS A  25       2.402  -2.846   6.411  1.00  0.00           O  
-ATOM    331  CB  CYS A  25       1.399  -0.336   4.828  1.00  0.00           C  
-ATOM    332  SG  CYS A  25       2.377   0.156   3.372  1.00  0.00           S  
-ATOM    333  H   CYS A  25      -0.224  -1.508   6.550  1.00  0.00           H  
-ATOM    334  HA  CYS A  25       0.642  -2.060   3.810  1.00  0.00           H  
-ATOM    335  HB2 CYS A  25       0.528   0.301   4.868  1.00  0.00           H  
-ATOM    336  HB3 CYS A  25       2.005  -0.165   5.705  1.00  0.00           H  
-ATOM    337  N   LYS A  26       2.751  -3.315   4.239  1.00  0.00           N  
-ATOM    338  CA  LYS A  26       3.876  -4.206   4.498  1.00  0.00           C  
-ATOM    339  C   LYS A  26       4.963  -4.031   3.443  1.00  0.00           C  
-ATOM    340  O   LYS A  26       4.806  -4.460   2.299  1.00  0.00           O  
-ATOM    341  CB  LYS A  26       3.404  -5.661   4.524  1.00  0.00           C  
-ATOM    342  CG  LYS A  26       4.415  -6.617   5.134  1.00  0.00           C  
-ATOM    343  CD  LYS A  26       4.429  -6.522   6.650  1.00  0.00           C  
-ATOM    344  CE  LYS A  26       5.676  -7.164   7.238  1.00  0.00           C  
-ATOM    345  NZ  LYS A  26       6.856  -6.260   7.156  1.00  0.00           N  
-ATOM    346  H   LYS A  26       2.466  -3.161   3.313  1.00  0.00           H  
-ATOM    347  HA  LYS A  26       4.285  -3.951   5.464  1.00  0.00           H  
-ATOM    348  HB2 LYS A  26       2.491  -5.721   5.099  1.00  0.00           H  
-ATOM    349  HB3 LYS A  26       3.204  -5.980   3.512  1.00  0.00           H  
-ATOM    350  HG2 LYS A  26       4.159  -7.627   4.850  1.00  0.00           H  
-ATOM    351  HG3 LYS A  26       5.399  -6.374   4.758  1.00  0.00           H  
-ATOM    352  HD2 LYS A  26       4.404  -5.482   6.937  1.00  0.00           H  
-ATOM    353  HD3 LYS A  26       3.556  -7.027   7.042  1.00  0.00           H  
-ATOM    354  HE2 LYS A  26       5.488  -7.404   8.273  1.00  0.00           H  
-ATOM    355  HE3 LYS A  26       5.890  -8.071   6.691  1.00  0.00           H  
-ATOM    356  HZ1 LYS A  26       7.732  -6.818   7.104  1.00  0.00           H  
-ATOM    357  HZ2 LYS A  26       6.897  -5.649   7.997  1.00  0.00           H  
-ATOM    358  HZ3 LYS A  26       6.789  -5.660   6.309  1.00  0.00           H  
-ATOM    359  N   TYR A  27       6.065  -3.401   3.834  1.00  0.00           N  
-ATOM    360  CA  TYR A  27       7.178  -3.169   2.920  1.00  0.00           C  
-ATOM    361  C   TYR A  27       7.928  -4.467   2.636  1.00  0.00           C  
-ATOM    362  O   TYR A  27       8.391  -5.143   3.555  1.00  0.00           O  
-ATOM    363  CB  TYR A  27       8.136  -2.130   3.504  1.00  0.00           C  
-ATOM    364  CG  TYR A  27       9.397  -1.944   2.690  1.00  0.00           C  
-ATOM    365  CD1 TYR A  27       9.346  -1.433   1.400  1.00  0.00           C  
-ATOM    366  CD2 TYR A  27      10.640  -2.280   3.213  1.00  0.00           C  
-ATOM    367  CE1 TYR A  27      10.495  -1.262   0.653  1.00  0.00           C  
-ATOM    368  CE2 TYR A  27      11.795  -2.112   2.474  1.00  0.00           C  
-ATOM    369  CZ  TYR A  27      11.717  -1.603   1.194  1.00  0.00           C  
-ATOM    370  OH  TYR A  27      12.864  -1.434   0.454  1.00  0.00           O  
-ATOM    371  H   TYR A  27       6.131  -3.082   4.758  1.00  0.00           H  
-ATOM    372  HA  TYR A  27       6.773  -2.790   1.993  1.00  0.00           H  
-ATOM    373  HB2 TYR A  27       7.633  -1.176   3.558  1.00  0.00           H  
-ATOM    374  HB3 TYR A  27       8.425  -2.436   4.499  1.00  0.00           H  
-ATOM    375  HD1 TYR A  27       8.387  -1.166   0.979  1.00  0.00           H  
-ATOM    376  HD2 TYR A  27      10.697  -2.679   4.216  1.00  0.00           H  
-ATOM    377  HE1 TYR A  27      10.434  -0.864  -0.349  1.00  0.00           H  
-ATOM    378  HE2 TYR A  27      12.752  -2.379   2.897  1.00  0.00           H  
-ATOM    379  HH  TYR A  27      13.140  -0.515   0.496  1.00  0.00           H  
-ATOM    380  N   ILE A  28       8.044  -4.807   1.357  1.00  0.00           N  
-ATOM    381  CA  ILE A  28       8.740  -6.022   0.950  1.00  0.00           C  
-ATOM    382  C   ILE A  28      10.232  -5.766   0.766  1.00  0.00           C  
-ATOM    383  O   ILE A  28      10.630  -4.873   0.019  1.00  0.00           O  
-ATOM    384  CB  ILE A  28       8.162  -6.590  -0.359  1.00  0.00           C  
-ATOM    385  CG1 ILE A  28       6.635  -6.490  -0.354  1.00  0.00           C  
-ATOM    386  CG2 ILE A  28       8.603  -8.033  -0.551  1.00  0.00           C  
-ATOM    387  CD1 ILE A  28       5.979  -7.322   0.725  1.00  0.00           C  
-ATOM    388  H   ILE A  28       7.654  -4.227   0.671  1.00  0.00           H  
-ATOM    389  HA  ILE A  28       8.606  -6.759   1.729  1.00  0.00           H  
-ATOM    390  HB  ILE A  28       8.551  -6.008  -1.181  1.00  0.00           H  
-ATOM    391 HG12 ILE A  28       6.348  -5.462  -0.200  1.00  0.00           H  
-ATOM    392 HG13 ILE A  28       6.257  -6.826  -1.309  1.00  0.00           H  
-ATOM    393 HG21 ILE A  28       8.359  -8.605   0.333  1.00  0.00           H  
-ATOM    394 HG22 ILE A  28       8.093  -8.455  -1.404  1.00  0.00           H  
-ATOM    395 HG23 ILE A  28       9.669  -8.065  -0.716  1.00  0.00           H  
-ATOM    396 HD11 ILE A  28       5.927  -8.353   0.404  1.00  0.00           H  
-ATOM    397 HD12 ILE A  28       6.560  -7.259   1.633  1.00  0.00           H  
-ATOM    398 HD13 ILE A  28       4.981  -6.953   0.909  1.00  0.00           H  
-ATOM    399  N   GLU A  29      11.052  -6.557   1.451  1.00  0.00           N  
-ATOM    400  CA  GLU A  29      12.500  -6.415   1.361  1.00  0.00           C  
-ATOM    401  C   GLU A  29      13.053  -7.213   0.183  1.00  0.00           C  
-ATOM    402  O   GLU A  29      13.689  -6.658  -0.714  1.00  0.00           O  
-ATOM    403  CB  GLU A  29      13.162  -6.879   2.660  1.00  0.00           C  
-ATOM    404  CG  GLU A  29      14.470  -6.169   2.964  1.00  0.00           C  
-ATOM    405  CD  GLU A  29      15.648  -6.775   2.226  1.00  0.00           C  
-ATOM    406  OE1 GLU A  29      15.941  -7.967   2.455  1.00  0.00           O  
-ATOM    407  OE2 GLU A  29      16.276  -6.057   1.420  1.00  0.00           O  
-ATOM    408  H   GLU A  29      10.674  -7.251   2.030  1.00  0.00           H  
-ATOM    409  HA  GLU A  29      12.723  -5.370   1.208  1.00  0.00           H  
-ATOM    410  HB2 GLU A  29      12.481  -6.703   3.480  1.00  0.00           H  
-ATOM    411  HB3 GLU A  29      13.360  -7.939   2.590  1.00  0.00           H  
-ATOM    412  HG2 GLU A  29      14.378  -5.133   2.675  1.00  0.00           H  
-ATOM    413  HG3 GLU A  29      14.660  -6.230   4.026  1.00  0.00           H  
-ATOM    414  N   HIS A  30      12.805  -8.519   0.192  1.00  0.00           N  
-ATOM    415  CA  HIS A  30      13.277  -9.394  -0.876  1.00  0.00           C  
-ATOM    416  C   HIS A  30      12.934  -8.815  -2.245  1.00  0.00           C  
-ATOM    417  O   HIS A  30      13.545  -9.172  -3.253  1.00  0.00           O  
-ATOM    418  CB  HIS A  30      12.664 -10.787  -0.730  1.00  0.00           C  
-ATOM    419  CG  HIS A  30      11.280 -10.894  -1.291  1.00  0.00           C  
-ATOM    420  ND1 HIS A  30      10.157 -10.470  -0.611  1.00  0.00           N  
-ATOM    421  CD2 HIS A  30      10.840 -11.380  -2.475  1.00  0.00           C  
-ATOM    422  CE1 HIS A  30       9.087 -10.692  -1.352  1.00  0.00           C  
-ATOM    423  NE2 HIS A  30       9.473 -11.243  -2.489  1.00  0.00           N  
-ATOM    424  H   HIS A  30      12.292  -8.903   0.933  1.00  0.00           H  
-ATOM    425  HA  HIS A  30      14.350  -9.471  -0.790  1.00  0.00           H  
-ATOM    426  HB2 HIS A  30      13.287 -11.503  -1.246  1.00  0.00           H  
-ATOM    427  HB3 HIS A  30      12.620 -11.046   0.318  1.00  0.00           H  
-ATOM    428  HD1 HIS A  30      10.147 -10.068   0.282  1.00  0.00           H  
-ATOM    429  HD2 HIS A  30      11.449 -11.798  -3.264  1.00  0.00           H  
-ATOM    430  HE1 HIS A  30       8.068 -10.461  -1.077  1.00  0.00           H  
-ATOM    431  HE2 HIS A  30       8.873 -11.586  -3.182  1.00  0.00           H  
-ATOM    432  N   LEU A  31      11.952  -7.920  -2.274  1.00  0.00           N  
-ATOM    433  CA  LEU A  31      11.527  -7.292  -3.520  1.00  0.00           C  
-ATOM    434  C   LEU A  31      11.708  -5.779  -3.456  1.00  0.00           C  
-ATOM    435  O   LEU A  31      11.493  -5.076  -4.444  1.00  0.00           O  
-ATOM    436  CB  LEU A  31      10.063  -7.630  -3.811  1.00  0.00           C  
-ATOM    437  CG  LEU A  31       9.816  -8.910  -4.609  1.00  0.00           C  
-ATOM    438  CD1 LEU A  31       8.326  -9.201  -4.703  1.00  0.00           C  
-ATOM    439  CD2 LEU A  31      10.429  -8.800  -5.997  1.00  0.00           C  
-ATOM    440  H   LEU A  31      11.503  -7.675  -1.439  1.00  0.00           H  
-ATOM    441  HA  LEU A  31      12.143  -7.683  -4.316  1.00  0.00           H  
-ATOM    442  HB2 LEU A  31       9.552  -7.725  -2.865  1.00  0.00           H  
-ATOM    443  HB3 LEU A  31       9.638  -6.805  -4.366  1.00  0.00           H  
-ATOM    444  HG  LEU A  31      10.285  -9.741  -4.099  1.00  0.00           H  
-ATOM    445 HD11 LEU A  31       8.072  -9.450  -5.723  1.00  0.00           H  
-ATOM    446 HD12 LEU A  31       7.769  -8.328  -4.396  1.00  0.00           H  
-ATOM    447 HD13 LEU A  31       8.079 -10.030  -4.057  1.00  0.00           H  
-ATOM    448 HD21 LEU A  31      11.105  -7.959  -6.026  1.00  0.00           H  
-ATOM    449 HD22 LEU A  31       9.645  -8.658  -6.726  1.00  0.00           H  
-ATOM    450 HD23 LEU A  31      10.971  -9.707  -6.224  1.00  0.00           H  
-ATOM    451  N   GLU A  32      12.107  -5.284  -2.288  1.00  0.00           N  
-ATOM    452  CA  GLU A  32      12.319  -3.854  -2.098  1.00  0.00           C  
-ATOM    453  C   GLU A  32      11.161  -3.050  -2.682  1.00  0.00           C  
-ATOM    454  O   GLU A  32      11.370  -2.043  -3.358  1.00  0.00           O  
-ATOM    455  CB  GLU A  32      13.635  -3.419  -2.747  1.00  0.00           C  
-ATOM    456  CG  GLU A  32      14.836  -4.230  -2.289  1.00  0.00           C  
-ATOM    457  CD  GLU A  32      16.145  -3.689  -2.830  1.00  0.00           C  
-ATOM    458  OE1 GLU A  32      16.275  -3.580  -4.067  1.00  0.00           O  
-ATOM    459  OE2 GLU A  32      17.039  -3.375  -2.017  1.00  0.00           O  
-ATOM    460  H   GLU A  32      12.262  -5.895  -1.538  1.00  0.00           H  
-ATOM    461  HA  GLU A  32      12.373  -3.666  -1.036  1.00  0.00           H  
-ATOM    462  HB2 GLU A  32      13.544  -3.521  -3.818  1.00  0.00           H  
-ATOM    463  HB3 GLU A  32      13.815  -2.382  -2.506  1.00  0.00           H  
-ATOM    464  HG2 GLU A  32      14.876  -4.213  -1.210  1.00  0.00           H  
-ATOM    465  HG3 GLU A  32      14.717  -5.249  -2.628  1.00  0.00           H  
-ATOM    466  N   ALA A  33       9.940  -3.503  -2.416  1.00  0.00           N  
-ATOM    467  CA  ALA A  33       8.749  -2.826  -2.914  1.00  0.00           C  
-ATOM    468  C   ALA A  33       7.675  -2.741  -1.835  1.00  0.00           C  
-ATOM    469  O   ALA A  33       7.405  -3.717  -1.135  1.00  0.00           O  
-ATOM    470  CB  ALA A  33       8.210  -3.542  -4.143  1.00  0.00           C  
-ATOM    471  H   ALA A  33       9.838  -4.311  -1.871  1.00  0.00           H  
-ATOM    472  HA  ALA A  33       9.032  -1.825  -3.206  1.00  0.00           H  
-ATOM    473  HB1 ALA A  33       7.279  -3.084  -4.445  1.00  0.00           H  
-ATOM    474  HB2 ALA A  33       8.926  -3.466  -4.947  1.00  0.00           H  
-ATOM    475  HB3 ALA A  33       8.040  -4.582  -3.908  1.00  0.00           H  
-ATOM    476  N   VAL A  34       7.065  -1.567  -1.704  1.00  0.00           N  
-ATOM    477  CA  VAL A  34       6.020  -1.355  -0.710  1.00  0.00           C  
-ATOM    478  C   VAL A  34       4.647  -1.704  -1.273  1.00  0.00           C  
-ATOM    479  O   VAL A  34       4.356  -1.439  -2.440  1.00  0.00           O  
-ATOM    480  CB  VAL A  34       6.004   0.104  -0.215  1.00  0.00           C  
-ATOM    481  CG1 VAL A  34       5.789   1.060  -1.379  1.00  0.00           C  
-ATOM    482  CG2 VAL A  34       4.931   0.294   0.846  1.00  0.00           C  
-ATOM    483  H   VAL A  34       7.324  -0.826  -2.291  1.00  0.00           H  
-ATOM    484  HA  VAL A  34       6.226  -1.997   0.134  1.00  0.00           H  
-ATOM    485  HB  VAL A  34       6.963   0.323   0.229  1.00  0.00           H  
-ATOM    486 HG11 VAL A  34       6.443   1.913  -1.268  1.00  0.00           H  
-ATOM    487 HG12 VAL A  34       6.009   0.554  -2.307  1.00  0.00           H  
-ATOM    488 HG13 VAL A  34       4.762   1.394  -1.385  1.00  0.00           H  
-ATOM    489 HG21 VAL A  34       5.388   0.634   1.764  1.00  0.00           H  
-ATOM    490 HG22 VAL A  34       4.215   1.028   0.507  1.00  0.00           H  
-ATOM    491 HG23 VAL A  34       4.427  -0.645   1.022  1.00  0.00           H  
-ATOM    492  N   THR A  35       3.804  -2.301  -0.436  1.00  0.00           N  
-ATOM    493  CA  THR A  35       2.461  -2.688  -0.850  1.00  0.00           C  
-ATOM    494  C   THR A  35       1.430  -2.305   0.205  1.00  0.00           C  
-ATOM    495  O   THR A  35       1.771  -2.064   1.364  1.00  0.00           O  
-ATOM    496  CB  THR A  35       2.370  -4.202  -1.116  1.00  0.00           C  
-ATOM    497  OG1 THR A  35       1.102  -4.521  -1.700  1.00  0.00           O  
-ATOM    498  CG2 THR A  35       2.552  -4.990   0.173  1.00  0.00           C  
-ATOM    499  H   THR A  35       4.094  -2.486   0.482  1.00  0.00           H  
-ATOM    500  HA  THR A  35       2.233  -2.168  -1.768  1.00  0.00           H  
-ATOM    501  HB  THR A  35       3.155  -4.480  -1.804  1.00  0.00           H  
-ATOM    502  HG1 THR A  35       0.903  -3.890  -2.396  1.00  0.00           H  
-ATOM    503 HG21 THR A  35       2.216  -4.395   1.009  1.00  0.00           H  
-ATOM    504 HG22 THR A  35       3.597  -5.234   0.301  1.00  0.00           H  
-ATOM    505 HG23 THR A  35       1.973  -5.900   0.123  1.00  0.00           H  
-ATOM    506  N   CYS A  36       0.166  -2.252  -0.202  1.00  0.00           N  
-ATOM    507  CA  CYS A  36      -0.917  -1.899   0.708  1.00  0.00           C  
-ATOM    508  C   CYS A  36      -2.021  -2.953   0.675  1.00  0.00           C  
-ATOM    509  O   CYS A  36      -2.748  -3.076  -0.311  1.00  0.00           O  
-ATOM    510  CB  CYS A  36      -1.493  -0.530   0.342  1.00  0.00           C  
-ATOM    511  SG  CYS A  36      -0.272   0.822   0.370  1.00  0.00           S  
-ATOM    512  H   CYS A  36      -0.044  -2.455  -1.138  1.00  0.00           H  
-ATOM    513  HA  CYS A  36      -0.510  -1.853   1.707  1.00  0.00           H  
-ATOM    514  HB2 CYS A  36      -1.907  -0.577  -0.655  1.00  0.00           H  
-ATOM    515  HB3 CYS A  36      -2.278  -0.279   1.041  1.00  0.00           H  
-ATOM    516  N   LYS A  37      -2.140  -3.711   1.760  1.00  0.00           N  
-ATOM    517  CA  LYS A  37      -3.154  -4.753   1.857  1.00  0.00           C  
-ATOM    518  C   LYS A  37      -4.531  -4.150   2.115  1.00  0.00           C  
-ATOM    519  O   LYS A  37      -4.696  -3.305   2.996  1.00  0.00           O  
-ATOM    520  CB  LYS A  37      -2.800  -5.736   2.976  1.00  0.00           C  
-ATOM    521  CG  LYS A  37      -1.685  -6.699   2.608  1.00  0.00           C  
-ATOM    522  CD  LYS A  37      -2.230  -7.967   1.972  1.00  0.00           C  
-ATOM    523  CE  LYS A  37      -2.803  -7.695   0.590  1.00  0.00           C  
-ATOM    524  NZ  LYS A  37      -4.247  -7.335   0.649  1.00  0.00           N  
-ATOM    525  H   LYS A  37      -1.530  -3.565   2.514  1.00  0.00           H  
-ATOM    526  HA  LYS A  37      -3.177  -5.284   0.918  1.00  0.00           H  
-ATOM    527  HB2 LYS A  37      -2.491  -5.176   3.846  1.00  0.00           H  
-ATOM    528  HB3 LYS A  37      -3.679  -6.313   3.223  1.00  0.00           H  
-ATOM    529  HG2 LYS A  37      -1.020  -6.216   1.908  1.00  0.00           H  
-ATOM    530  HG3 LYS A  37      -1.139  -6.962   3.503  1.00  0.00           H  
-ATOM    531  HD2 LYS A  37      -1.431  -8.687   1.882  1.00  0.00           H  
-ATOM    532  HD3 LYS A  37      -3.010  -8.369   2.603  1.00  0.00           H  
-ATOM    533  HE2 LYS A  37      -2.256  -6.880   0.141  1.00  0.00           H  
-ATOM    534  HE3 LYS A  37      -2.686  -8.582  -0.015  1.00  0.00           H  
-ATOM    535  HZ1 LYS A  37      -4.824  -8.191   0.780  1.00  0.00           H  
-ATOM    536  HZ2 LYS A  37      -4.535  -6.869  -0.235  1.00  0.00           H  
-ATOM    537  HZ3 LYS A  37      -4.422  -6.687   1.442  1.00  0.00           H  
-ATOM    538  N   CYS A  38      -5.519  -4.589   1.341  1.00  0.00           N  
-ATOM    539  CA  CYS A  38      -6.882  -4.093   1.486  1.00  0.00           C  
-ATOM    540  C   CYS A  38      -7.767  -5.127   2.176  1.00  0.00           C  
-ATOM    541  O   CYS A  38      -7.822  -6.285   1.762  1.00  0.00           O  
-ATOM    542  CB  CYS A  38      -7.466  -3.738   0.117  1.00  0.00           C  
-ATOM    543  SG  CYS A  38      -6.295  -2.895  -0.996  1.00  0.00           S  
-ATOM    544  H   CYS A  38      -5.326  -5.263   0.656  1.00  0.00           H  
-ATOM    545  HA  CYS A  38      -6.849  -3.202   2.095  1.00  0.00           H  
-ATOM    546  HB2 CYS A  38      -7.789  -4.645  -0.374  1.00  0.00           H  
-ATOM    547  HB3 CYS A  38      -8.316  -3.087   0.254  1.00  0.00           H  
-ATOM    548  N   GLN A  39      -8.457  -4.700   3.228  1.00  0.00           N  
-ATOM    549  CA  GLN A  39      -9.338  -5.589   3.975  1.00  0.00           C  
-ATOM    550  C   GLN A  39     -10.467  -6.107   3.090  1.00  0.00           C  
-ATOM    551  O   GLN A  39     -10.517  -5.811   1.896  1.00  0.00           O  
-ATOM    552  CB  GLN A  39      -9.919  -4.863   5.190  1.00  0.00           C  
-ATOM    553  CG  GLN A  39      -8.972  -4.811   6.378  1.00  0.00           C  
-ATOM    554  CD  GLN A  39      -8.620  -6.188   6.905  1.00  0.00           C  
-ATOM    555  OE1 GLN A  39      -7.563  -6.734   6.589  1.00  0.00           O  
-ATOM    556  NE2 GLN A  39      -9.507  -6.757   7.713  1.00  0.00           N  
-ATOM    557  H   GLN A  39      -8.370  -3.766   3.509  1.00  0.00           H  
-ATOM    558  HA  GLN A  39      -8.751  -6.428   4.316  1.00  0.00           H  
-ATOM    559  HB2 GLN A  39     -10.164  -3.850   4.906  1.00  0.00           H  
-ATOM    560  HB3 GLN A  39     -10.822  -5.369   5.499  1.00  0.00           H  
-ATOM    561  HG2 GLN A  39      -8.062  -4.315   6.075  1.00  0.00           H  
-ATOM    562  HG3 GLN A  39      -9.441  -4.247   7.171  1.00  0.00           H  
-ATOM    563 HE21 GLN A  39     -10.328  -6.263   7.920  1.00  0.00           H  
-ATOM    564 HE22 GLN A  39      -9.305  -7.647   8.068  1.00  0.00           H  
-ATOM    565  N   GLN A  40     -11.369  -6.882   3.683  1.00  0.00           N  
-ATOM    566  CA  GLN A  40     -12.496  -7.442   2.946  1.00  0.00           C  
-ATOM    567  C   GLN A  40     -13.385  -6.336   2.388  1.00  0.00           C  
-ATOM    568  O   GLN A  40     -13.851  -6.416   1.252  1.00  0.00           O  
-ATOM    569  CB  GLN A  40     -13.316  -8.364   3.851  1.00  0.00           C  
-ATOM    570  CG  GLN A  40     -14.396  -9.138   3.112  1.00  0.00           C  
-ATOM    571  CD  GLN A  40     -15.691  -8.359   2.987  1.00  0.00           C  
-ATOM    572  OE1 GLN A  40     -15.949  -7.434   3.758  1.00  0.00           O  
-ATOM    573  NE2 GLN A  40     -16.512  -8.728   2.011  1.00  0.00           N  
-ATOM    574  H   GLN A  40     -11.275  -7.082   4.637  1.00  0.00           H  
-ATOM    575  HA  GLN A  40     -12.101  -8.019   2.124  1.00  0.00           H  
-ATOM    576  HB2 GLN A  40     -12.651  -9.073   4.319  1.00  0.00           H  
-ATOM    577  HB3 GLN A  40     -13.791  -7.768   4.616  1.00  0.00           H  
-ATOM    578  HG2 GLN A  40     -14.038  -9.373   2.120  1.00  0.00           H  
-ATOM    579  HG3 GLN A  40     -14.595 -10.054   3.648  1.00  0.00           H  
-ATOM    580 HE21 GLN A  40     -16.241  -9.475   1.436  1.00  0.00           H  
-ATOM    581 HE22 GLN A  40     -17.356  -8.243   1.908  1.00  0.00           H  
-ATOM    582  N   GLU A  41     -13.616  -5.305   3.195  1.00  0.00           N  
-ATOM    583  CA  GLU A  41     -14.450  -4.183   2.780  1.00  0.00           C  
-ATOM    584  C   GLU A  41     -13.763  -3.367   1.689  1.00  0.00           C  
-ATOM    585  O   GLU A  41     -14.392  -2.966   0.709  1.00  0.00           O  
-ATOM    586  CB  GLU A  41     -14.769  -3.286   3.978  1.00  0.00           C  
-ATOM    587  CG  GLU A  41     -15.362  -4.036   5.159  1.00  0.00           C  
-ATOM    588  CD  GLU A  41     -15.973  -3.108   6.192  1.00  0.00           C  
-ATOM    589  OE1 GLU A  41     -17.159  -2.749   6.040  1.00  0.00           O  
-ATOM    590  OE2 GLU A  41     -15.263  -2.742   7.152  1.00  0.00           O  
-ATOM    591  H   GLU A  41     -13.216  -5.298   4.089  1.00  0.00           H  
-ATOM    592  HA  GLU A  41     -15.372  -4.583   2.386  1.00  0.00           H  
-ATOM    593  HB2 GLU A  41     -13.860  -2.803   4.303  1.00  0.00           H  
-ATOM    594  HB3 GLU A  41     -15.476  -2.530   3.667  1.00  0.00           H  
-ATOM    595  HG2 GLU A  41     -16.131  -4.702   4.797  1.00  0.00           H  
-ATOM    596  HG3 GLU A  41     -14.581  -4.612   5.632  1.00  0.00           H  
-ATOM    597  N   TYR A  42     -12.469  -3.126   1.866  1.00  0.00           N  
-ATOM    598  CA  TYR A  42     -11.696  -2.356   0.899  1.00  0.00           C  
-ATOM    599  C   TYR A  42     -11.123  -3.262  -0.187  1.00  0.00           C  
-ATOM    600  O   TYR A  42     -11.134  -4.487  -0.059  1.00  0.00           O  
-ATOM    601  CB  TYR A  42     -10.563  -1.605   1.601  1.00  0.00           C  
-ATOM    602  CG  TYR A  42     -11.043  -0.632   2.654  1.00  0.00           C  
-ATOM    603  CD1 TYR A  42     -11.373   0.676   2.321  1.00  0.00           C  
-ATOM    604  CD2 TYR A  42     -11.168  -1.021   3.982  1.00  0.00           C  
-ATOM    605  CE1 TYR A  42     -11.811   1.569   3.280  1.00  0.00           C  
-ATOM    606  CE2 TYR A  42     -11.608  -0.135   4.948  1.00  0.00           C  
-ATOM    607  CZ  TYR A  42     -11.927   1.158   4.592  1.00  0.00           C  
-ATOM    608  OH  TYR A  42     -12.365   2.044   5.549  1.00  0.00           O  
-ATOM    609  H   TYR A  42     -12.023  -3.472   2.667  1.00  0.00           H  
-ATOM    610  HA  TYR A  42     -12.359  -1.638   0.440  1.00  0.00           H  
-ATOM    611  HB2 TYR A  42      -9.912  -2.318   2.083  1.00  0.00           H  
-ATOM    612  HB3 TYR A  42      -9.999  -1.048   0.867  1.00  0.00           H  
-ATOM    613  HD1 TYR A  42     -11.282   0.994   1.292  1.00  0.00           H  
-ATOM    614  HD2 TYR A  42     -10.917  -2.035   4.258  1.00  0.00           H  
-ATOM    615  HE1 TYR A  42     -12.062   2.582   3.001  1.00  0.00           H  
-ATOM    616  HE2 TYR A  42     -11.698  -0.456   5.975  1.00  0.00           H  
-ATOM    617  HH  TYR A  42     -11.626   2.575   5.856  1.00  0.00           H  
-ATOM    618  N   PHE A  43     -10.624  -2.651  -1.256  1.00  0.00           N  
-ATOM    619  CA  PHE A  43     -10.047  -3.401  -2.365  1.00  0.00           C  
-ATOM    620  C   PHE A  43      -9.158  -2.506  -3.223  1.00  0.00           C  
-ATOM    621  O   PHE A  43      -9.077  -1.298  -3.003  1.00  0.00           O  
-ATOM    622  CB  PHE A  43     -11.154  -4.014  -3.225  1.00  0.00           C  
-ATOM    623  CG  PHE A  43     -12.319  -3.092  -3.449  1.00  0.00           C  
-ATOM    624  CD1 PHE A  43     -13.276  -2.913  -2.463  1.00  0.00           C  
-ATOM    625  CD2 PHE A  43     -12.456  -2.405  -4.644  1.00  0.00           C  
-ATOM    626  CE1 PHE A  43     -14.349  -2.066  -2.667  1.00  0.00           C  
-ATOM    627  CE2 PHE A  43     -13.526  -1.557  -4.853  1.00  0.00           C  
-ATOM    628  CZ  PHE A  43     -14.474  -1.386  -3.863  1.00  0.00           C  
-ATOM    629  H   PHE A  43     -10.644  -1.672  -1.300  1.00  0.00           H  
-ATOM    630  HA  PHE A  43      -9.444  -4.194  -1.950  1.00  0.00           H  
-ATOM    631  HB2 PHE A  43     -10.748  -4.275  -4.190  1.00  0.00           H  
-ATOM    632  HB3 PHE A  43     -11.523  -4.906  -2.741  1.00  0.00           H  
-ATOM    633  HD1 PHE A  43     -13.180  -3.443  -1.527  1.00  0.00           H  
-ATOM    634  HD2 PHE A  43     -11.714  -2.538  -5.420  1.00  0.00           H  
-ATOM    635  HE1 PHE A  43     -15.088  -1.934  -1.891  1.00  0.00           H  
-ATOM    636  HE2 PHE A  43     -13.621  -1.027  -5.790  1.00  0.00           H  
-ATOM    637  HZ  PHE A  43     -15.311  -0.724  -4.025  1.00  0.00           H  
-ATOM    638  N   GLY A  44      -8.491  -3.108  -4.204  1.00  0.00           N  
-ATOM    639  CA  GLY A  44      -7.617  -2.351  -5.080  1.00  0.00           C  
-ATOM    640  C   GLY A  44      -6.192  -2.291  -4.566  1.00  0.00           C  
-ATOM    641  O   GLY A  44      -5.715  -3.231  -3.932  1.00  0.00           O  
-ATOM    642  H   GLY A  44      -8.594  -4.074  -4.333  1.00  0.00           H  
-ATOM    643  HA2 GLY A  44      -7.617  -2.812  -6.057  1.00  0.00           H  
-ATOM    644  HA3 GLY A  44      -7.998  -1.344  -5.168  1.00  0.00           H  
-ATOM    645  N   GLU A  45      -5.511  -1.183  -4.842  1.00  0.00           N  
-ATOM    646  CA  GLU A  45      -4.131  -1.006  -4.405  1.00  0.00           C  
-ATOM    647  C   GLU A  45      -4.070  -0.202  -3.109  1.00  0.00           C  
-ATOM    648  O   GLU A  45      -3.658  -0.713  -2.068  1.00  0.00           O  
-ATOM    649  CB  GLU A  45      -3.314  -0.306  -5.492  1.00  0.00           C  
-ATOM    650  CG  GLU A  45      -2.658  -1.263  -6.473  1.00  0.00           C  
-ATOM    651  CD  GLU A  45      -3.587  -2.378  -6.910  1.00  0.00           C  
-ATOM    652  OE1 GLU A  45      -4.675  -2.071  -7.440  1.00  0.00           O  
-ATOM    653  OE2 GLU A  45      -3.226  -3.559  -6.721  1.00  0.00           O  
-ATOM    654  H   GLU A  45      -5.946  -0.469  -5.352  1.00  0.00           H  
-ATOM    655  HA  GLU A  45      -3.712  -1.985  -4.227  1.00  0.00           H  
-ATOM    656  HB2 GLU A  45      -3.965   0.354  -6.046  1.00  0.00           H  
-ATOM    657  HB3 GLU A  45      -2.539   0.281  -5.021  1.00  0.00           H  
-ATOM    658  HG2 GLU A  45      -2.350  -0.709  -7.347  1.00  0.00           H  
-ATOM    659  HG3 GLU A  45      -1.790  -1.701  -6.002  1.00  0.00           H  
-ATOM    660  N   ARG A  46      -4.482   1.059  -3.183  1.00  0.00           N  
-ATOM    661  CA  ARG A  46      -4.473   1.935  -2.017  1.00  0.00           C  
-ATOM    662  C   ARG A  46      -5.500   1.479  -0.986  1.00  0.00           C  
-ATOM    663  O   ARG A  46      -5.278   1.592   0.220  1.00  0.00           O  
-ATOM    664  CB  ARG A  46      -4.760   3.378  -2.436  1.00  0.00           C  
-ATOM    665  CG  ARG A  46      -3.670   3.991  -3.299  1.00  0.00           C  
-ATOM    666  CD  ARG A  46      -3.576   5.495  -3.096  1.00  0.00           C  
-ATOM    667  NE  ARG A  46      -2.944   6.163  -4.230  1.00  0.00           N  
-ATOM    668  CZ  ARG A  46      -1.628   6.234  -4.401  1.00  0.00           C  
-ATOM    669  NH1 ARG A  46      -0.811   5.681  -3.516  1.00  0.00           N  
-ATOM    670  NH2 ARG A  46      -1.128   6.859  -5.459  1.00  0.00           N  
-ATOM    671  H   ARG A  46      -4.800   1.409  -4.041  1.00  0.00           H  
-ATOM    672  HA  ARG A  46      -3.489   1.887  -1.574  1.00  0.00           H  
-ATOM    673  HB2 ARG A  46      -5.685   3.403  -2.992  1.00  0.00           H  
-ATOM    674  HB3 ARG A  46      -4.867   3.983  -1.547  1.00  0.00           H  
-ATOM    675  HG2 ARG A  46      -2.722   3.544  -3.037  1.00  0.00           H  
-ATOM    676  HG3 ARG A  46      -3.890   3.789  -4.337  1.00  0.00           H  
-ATOM    677  HD2 ARG A  46      -4.573   5.890  -2.968  1.00  0.00           H  
-ATOM    678  HD3 ARG A  46      -2.996   5.689  -2.206  1.00  0.00           H  
-ATOM    679  HE  ARG A  46      -3.529   6.578  -4.897  1.00  0.00           H  
-ATOM    680 HH11 ARG A  46      -1.185   5.208  -2.718  1.00  0.00           H  
-ATOM    681 HH12 ARG A  46       0.179   5.735  -3.647  1.00  0.00           H  
-ATOM    682 HH21 ARG A  46      -1.741   7.277  -6.129  1.00  0.00           H  
-ATOM    683 HH22 ARG A  46      -0.138   6.912  -5.587  1.00  0.00           H  
-ATOM    684  N   CYS A  47      -6.626   0.963  -1.468  1.00  0.00           N  
-ATOM    685  CA  CYS A  47      -7.689   0.490  -0.590  1.00  0.00           C  
-ATOM    686  C   CYS A  47      -8.445   1.662   0.029  1.00  0.00           C  
-ATOM    687  O   CYS A  47      -8.778   1.645   1.213  1.00  0.00           O  
-ATOM    688  CB  CYS A  47      -7.110  -0.397   0.514  1.00  0.00           C  
-ATOM    689  SG  CYS A  47      -5.612  -1.311   0.025  1.00  0.00           S  
-ATOM    690  H   CYS A  47      -6.745   0.899  -2.440  1.00  0.00           H  
-ATOM    691  HA  CYS A  47      -8.377  -0.092  -1.184  1.00  0.00           H  
-ATOM    692  HB2 CYS A  47      -6.855   0.219   1.364  1.00  0.00           H  
-ATOM    693  HB3 CYS A  47      -7.855  -1.121   0.811  1.00  0.00           H  
-ATOM    694  N   GLY A  48      -8.713   2.681  -0.782  1.00  0.00           N  
-ATOM    695  CA  GLY A  48      -9.428   3.848  -0.298  1.00  0.00           C  
-ATOM    696  C   GLY A  48     -10.931   3.657  -0.320  1.00  0.00           C  
-ATOM    697  O   GLY A  48     -11.646   4.214   0.512  1.00  0.00           O  
-ATOM    698  H   GLY A  48      -8.423   2.640  -1.718  1.00  0.00           H  
-ATOM    699  HA2 GLY A  48      -9.116   4.051   0.716  1.00  0.00           H  
-ATOM    700  HA3 GLY A  48      -9.175   4.694  -0.919  1.00  0.00           H  
-ATOM    701  N   GLU A  49     -11.412   2.869  -1.277  1.00  0.00           N  
-ATOM    702  CA  GLU A  49     -12.841   2.610  -1.405  1.00  0.00           C  
-ATOM    703  C   GLU A  49     -13.233   1.337  -0.659  1.00  0.00           C  
-ATOM    704  O   GLU A  49     -12.489   0.356  -0.650  1.00  0.00           O  
-ATOM    705  CB  GLU A  49     -13.230   2.489  -2.880  1.00  0.00           C  
-ATOM    706  CG  GLU A  49     -13.545   3.823  -3.537  1.00  0.00           C  
-ATOM    707  CD  GLU A  49     -14.729   4.522  -2.899  1.00  0.00           C  
-ATOM    708  OE1 GLU A  49     -14.543   5.160  -1.842  1.00  0.00           O  
-ATOM    709  OE2 GLU A  49     -15.843   4.432  -3.458  1.00  0.00           O  
-ATOM    710  H   GLU A  49     -10.792   2.453  -1.911  1.00  0.00           H  
-ATOM    711  HA  GLU A  49     -13.370   3.444  -0.970  1.00  0.00           H  
-ATOM    712  HB2 GLU A  49     -12.415   2.029  -3.419  1.00  0.00           H  
-ATOM    713  HB3 GLU A  49     -14.103   1.858  -2.959  1.00  0.00           H  
-ATOM    714  HG2 GLU A  49     -12.680   4.464  -3.454  1.00  0.00           H  
-ATOM    715  HG3 GLU A  49     -13.766   3.652  -4.581  1.00  0.00           H  
-ATOM    716  N   LYS A  50     -14.405   1.361  -0.035  1.00  0.00           N  
-ATOM    717  CA  LYS A  50     -14.897   0.210   0.714  1.00  0.00           C  
-ATOM    718  C   LYS A  50     -16.292  -0.189   0.242  1.00  0.00           C  
-ATOM    719  O   LYS A  50     -17.088   0.659  -0.160  1.00  0.00           O  
-ATOM    720  CB  LYS A  50     -14.924   0.524   2.211  1.00  0.00           C  
-ATOM    721  CG  LYS A  50     -16.003   1.518   2.605  1.00  0.00           C  
-ATOM    722  CD  LYS A  50     -15.626   2.280   3.864  1.00  0.00           C  
-ATOM    723  CE  LYS A  50     -15.929   1.472   5.117  1.00  0.00           C  
-ATOM    724  NZ  LYS A  50     -17.391   1.404   5.393  1.00  0.00           N  
-ATOM    725  H   LYS A  50     -14.953   2.173  -0.079  1.00  0.00           H  
-ATOM    726  HA  LYS A  50     -14.221  -0.613   0.539  1.00  0.00           H  
-ATOM    727  HB2 LYS A  50     -15.093  -0.393   2.756  1.00  0.00           H  
-ATOM    728  HB3 LYS A  50     -13.966   0.932   2.499  1.00  0.00           H  
-ATOM    729  HG2 LYS A  50     -16.142   2.223   1.799  1.00  0.00           H  
-ATOM    730  HG3 LYS A  50     -16.926   0.983   2.782  1.00  0.00           H  
-ATOM    731  HD2 LYS A  50     -14.569   2.500   3.839  1.00  0.00           H  
-ATOM    732  HD3 LYS A  50     -16.187   3.204   3.897  1.00  0.00           H  
-ATOM    733  HE2 LYS A  50     -15.550   0.471   4.984  1.00  0.00           H  
-ATOM    734  HE3 LYS A  50     -15.434   1.936   5.957  1.00  0.00           H  
-ATOM    735  HZ1 LYS A  50     -17.567   0.851   6.256  1.00  0.00           H  
-ATOM    736  HZ2 LYS A  50     -17.884   0.951   4.597  1.00  0.00           H  
-ATOM    737  HZ3 LYS A  50     -17.775   2.361   5.523  1.00  0.00           H  

Deleted: SwiftApps/modFTDock/input/2vwr-1.pdb
===================================================================
--- SwiftApps/modFTDock/input/2vwr-1.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/2vwr-1.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,730 +0,0 @@
-ATOM      1  N   SER A  -1      20.128  12.809  24.526  1.00 19.40           N  
-ATOM      2  CA  SER A  -1      20.938  12.899  23.283  1.00 14.62           C  
-ATOM      3  C   SER A  -1      20.052  13.074  22.065  1.00 13.47           C  
-ATOM      4  O   SER A  -1      18.834  12.879  22.117  1.00 15.69           O  
-ATOM      5  CB  SER A  -1      21.786  11.646  23.101  1.00 17.49           C  
-ATOM      6  OG  SER A  -1      20.984  10.481  22.955  1.00 25.56           O  
-ATOM      7  N   MET A   0      20.684  13.412  20.957  1.00 10.92           N  
-ATOM      8  CA  MET A   0      20.000  13.465  19.689  1.00  9.70           C  
-ATOM      9  C   MET A   0      20.956  13.195  18.552  1.00  9.06           C  
-ATOM     10  O   MET A   0      22.158  13.370  18.682  1.00 13.20           O  
-ATOM     11  CB  MET A   0      19.319  14.815  19.493  1.00 12.91           C  
-ATOM     12  CG  MET A   0      20.286  15.963  19.402  1.00 15.71           C  
-ATOM     13  SD  MET A   0      19.467  17.568  19.366  1.00 19.52           S  
-ATOM     14  CE  MET A   0      18.819  17.665  21.032  1.00 31.08           C  
-ATOM     15  N   GLU A 336      20.384  12.759  17.442  1.00  7.47           N  
-ATOM     16  CA  GLU A 336      21.090  12.632  16.203  1.00  7.61           C  
-ATOM     17  C   GLU A 336      20.689  13.781  15.297  1.00  8.80           C  
-ATOM     18  O   GLU A 336      19.509  14.082  15.173  1.00 10.63           O  
-ATOM     19  CB  GLU A 336      20.756  11.297  15.535  1.00  9.77           C  
-ATOM     20  CG  GLU A 336      21.552  11.077  14.264  1.00 14.79           C  
-ATOM     21  CD  GLU A 336      21.122   9.855  13.502  1.00 26.53           C  
-ATOM     22  OE1 GLU A 336      20.303   9.074  14.028  1.00 31.96           O  
-ATOM     23  OE2 GLU A 336      21.613   9.684  12.363  1.00 32.73           O  
-ATOM     24  N   ILE A 337      21.679  14.418  14.693  1.00  7.18           N  
-ATOM     25  CA  ILE A 337      21.451  15.424  13.665  1.00  7.38           C  
-ATOM     26  C   ILE A 337      21.801  14.808  12.341  1.00  7.35           C  
-ATOM     27  O   ILE A 337      22.895  14.249  12.178  1.00  9.86           O  
-ATOM     28  CB  ILE A 337      22.306  16.675  13.857  1.00  9.41           C  
-ATOM     29  CG1 ILE A 337      22.197  17.198  15.271  1.00 12.88           C  
-ATOM     30  CG2 ILE A 337      21.949  17.745  12.806  1.00 11.50           C  
-ATOM     31  CD1 ILE A 337      20.874  17.635  15.639  1.00 14.81           C  
-ATOM     32  N   LEU A 338      20.875  14.902  11.402  1.00  7.58           N  
-ATOM     33  CA  LEU A 338      21.132  14.378  10.062  1.00  8.65           C  
-ATOM     34  C   LEU A 338      20.456  15.222   8.993  1.00  7.20           C  
-ATOM     35  O   LEU A 338      19.584  16.031   9.280  1.00  8.46           O  
-ATOM     36  CB  LEU A 338      20.731  12.925   9.943  1.00 13.90           C  
-ATOM     37  CG  LEU A 338      19.252  12.666  10.057  1.00 13.10           C  
-ATOM     38  CD1 LEU A 338      18.882  11.388   9.287  1.00 20.34           C  
-ATOM     39  CD2 LEU A 338      18.772  12.562  11.493  1.00 19.29           C  
-ATOM     40  N   GLN A 339      20.928  15.069   7.768  1.00  7.20           N  
-ATOM     41  CA  GLN A 339      20.395  15.791   6.642  1.00  7.97           C  
-ATOM     42  C   GLN A 339      19.774  14.804   5.678  1.00  8.78           C  
-ATOM     43  O   GLN A 339      20.362  13.773   5.376  1.00 12.62           O  
-ATOM     44  CB  GLN A 339      21.472  16.631   5.956  1.00 11.22           C  
-ATOM     45  CG  GLN A 339      22.010  17.704   6.886  1.00 17.34           C  
-ATOM     46  CD  GLN A 339      22.853  18.757   6.211  1.00 25.58           C  
-ATOM     47  OE1 GLN A 339      22.673  19.078   5.034  1.00 22.54           O  
-ATOM     48  NE2 GLN A 339      23.778  19.328   6.973  1.00 35.80           N  
-ATOM     49  N   VAL A 340      18.567  15.128   5.237  1.00  6.69           N  
-ATOM     50  CA  VAL A 340      17.825  14.314   4.312  1.00  6.49           C  
-ATOM     51  C   VAL A 340      17.450  15.146   3.110  1.00  6.92           C  
-ATOM     52  O   VAL A 340      16.765  16.128   3.242  1.00  9.54           O  
-ATOM     53  CB  VAL A 340      16.555  13.757   4.961  1.00  7.24           C  
-ATOM     54  CG1 VAL A 340      15.691  13.030   3.954  1.00  9.62           C  
-ATOM     55  CG2 VAL A 340      16.911  12.821   6.122  1.00  9.31           C  
-ATOM     56  N   ALA A 341      17.874  14.713   1.934  1.00  7.20           N  
-ATOM     57  CA  ALA A 341      17.555  15.401   0.689  1.00  8.32           C  
-ATOM     58  C   ALA A 341      16.514  14.615  -0.079  1.00  7.94           C  
-ATOM     59  O   ALA A 341      16.711  13.451  -0.375  1.00 12.11           O  
-ATOM     60  CB  ALA A 341      18.823  15.574  -0.152  1.00 12.50           C  
-ATOM     61  N   LEU A 342      15.396  15.253  -0.365  1.00  7.05           N  
-ATOM     62  CA  LEU A 342      14.331  14.704  -1.186  1.00  7.53           C  
-ATOM     63  C   LEU A 342      14.296  15.466  -2.509  1.00  6.69           C  
-ATOM     64  O   LEU A 342      14.683  16.629  -2.573  1.00  9.96           O  
-ATOM     65  CB  LEU A 342      12.989  14.824  -0.479  1.00  7.05           C  
-ATOM     66  CG  LEU A 342      12.915  14.175   0.902  1.00  6.94           C  
-ATOM     67  CD1 LEU A 342      11.557  14.422   1.532  1.00 10.28           C  
-ATOM     68  CD2 LEU A 342      13.241  12.665   0.874  1.00  9.01           C  
-ATOM     69  N   HIS A 343      13.820  14.806  -3.557  1.00  7.45           N  
-ATOM     70  CA  HIS A 343      13.788  15.443  -4.867  1.00  8.58           C  
-ATOM     71  C   HIS A 343      12.402  15.443  -5.494  1.00  7.84           C  
-ATOM     72  O   HIS A 343      11.834  14.379  -5.778  1.00 11.03           O  
-ATOM     73  CB  HIS A 343      14.817  14.786  -5.773  1.00 10.46           C  
-ATOM     74  CG  HIS A 343      16.223  15.001  -5.303  1.00 12.40           C  
-ATOM     75  ND1 HIS A 343      16.996  16.053  -5.741  1.00 16.70           N  
-ATOM     76  CD2 HIS A 343      16.965  14.349  -4.376  1.00 19.64           C  
-ATOM     77  CE1 HIS A 343      18.175  16.010  -5.143  1.00 18.81           C  
-ATOM     78  NE2 HIS A 343      18.179  14.989  -4.305  1.00 19.15           N  
-ATOM     79  N   LYS A 344      11.837  16.643  -5.638  1.00  9.81           N  
-ATOM     80  CA  LYS A 344      10.512  16.790  -6.253  1.00 10.04           C  
-ATOM     81  C   LYS A 344      10.588  16.474  -7.733  1.00 12.69           C  
-ATOM     82  O   LYS A 344      11.432  17.042  -8.419  1.00 14.69           O  
-ATOM     83  CB  LYS A 344       9.985  18.217  -6.073  1.00 12.34           C  
-ATOM     84  CG  LYS A 344       9.686  18.625  -4.623  1.00 12.62           C  
-ATOM     85  CD  LYS A 344       8.576  19.704  -4.546  1.00 31.05           C  
-ATOM     86  CE  LYS A 344       8.996  21.073  -5.051  1.00 24.45           C  
-ATOM     87  NZ  LYS A 344       8.322  22.218  -4.361  1.00 21.96           N  
-ATOM     88  N   ARG A 345       9.704  15.604  -8.215  1.00 13.65           N  
-ATOM     89  CA  ARG A 345       9.688  15.217  -9.636  1.00 17.02           C  
-ATOM     90  C   ARG A 345       8.948  16.257 -10.475  1.00 17.99           C  
-ATOM     91  O   ARG A 345       9.156  16.335 -11.696  1.00 22.78           O  
-ATOM     92  CB  ARG A 345       9.080  13.819  -9.812  1.00 18.82           C  
-ATOM     93  CG  ARG A 345       9.882  12.720  -9.103  1.00 23.83           C  
-ATOM     94  CD  ARG A 345      10.108  11.497  -9.984  1.00 35.96           C  
-ATOM     95  NE  ARG A 345      10.943  10.483  -9.336  1.00 41.80           N  
-ATOM     96  CZ  ARG A 345      11.421   9.393  -9.940  1.00 38.74           C  
-ATOM     97  NH1 ARG A 345      11.158   9.156 -11.222  1.00 41.88           N  
-ATOM     98  NH2 ARG A 345      12.172   8.530  -9.257  1.00 33.93           N  
-ATOM     99  N   ASP A 346       8.081  17.035  -9.822  1.00 16.60           N  
-ATOM    100  CA  ASP A 346       7.475  18.241 -10.404  1.00 17.38           C  
-ATOM    101  C   ASP A 346       7.449  19.320  -9.327  1.00 14.18           C  
-ATOM    102  O   ASP A 346       7.531  19.010  -8.142  1.00 14.00           O  
-ATOM    103  CB  ASP A 346       6.064  17.959 -10.970  1.00 19.09           C  
-ATOM    104  CG  ASP A 346       5.028  17.642  -9.898  1.00 19.81           C  
-ATOM    105  OD1 ASP A 346       4.382  18.582  -9.384  1.00 22.06           O  
-ATOM    106  OD2 ASP A 346       4.810  16.436  -9.621  1.00 23.43           O  
-ATOM    107  N   SER A 347       7.329  20.578  -9.725  1.00 13.19           N  
-ATOM    108  CA  SER A 347       7.384  21.702  -8.783  1.00 13.78           C  
-ATOM    109  C   SER A 347       6.252  21.710  -7.764  1.00 11.76           C  
-ATOM    110  O   SER A 347       6.341  22.373  -6.725  1.00 14.54           O  
-ATOM    111  CB  SER A 347       7.433  23.044  -9.519  1.00 14.22           C  
-ATOM    112  OG  SER A 347       6.243  23.269 -10.244  1.00 16.20           O  
-ATOM    113  N   GLY A 348       5.172  20.998  -8.084  1.00 11.38           N  
-ATOM    114  CA  GLY A 348       4.049  20.871  -7.180  1.00 10.63           C  
-ATOM    115  C   GLY A 348       3.987  19.585  -6.383  1.00 10.54           C  
-ATOM    116  O   GLY A 348       2.994  19.372  -5.694  1.00 11.58           O  
-ATOM    117  N   GLU A 349       5.011  18.735  -6.462  1.00 10.14           N  
-ATOM    118  CA  GLU A 349       4.979  17.475  -5.723  1.00 10.90           C  
-ATOM    119  C   GLU A 349       5.094  17.732  -4.229  1.00 11.70           C  
-ATOM    120  O   GLU A 349       5.900  18.539  -3.792  1.00 12.51           O  
-ATOM    121  CB  GLU A 349       6.077  16.500  -6.154  1.00 11.37           C  
-ATOM    122  CG  GLU A 349       5.878  15.118  -5.509  1.00 13.41           C  
-ATOM    123  CD  GLU A 349       6.796  14.031  -6.016  1.00 14.39           C  
-ATOM    124  OE1 GLU A 349       7.821  14.327  -6.657  1.00 17.24           O  
-ATOM    125  OE2 GLU A 349       6.498  12.847  -5.728  1.00 19.88           O  
-ATOM    126  N   GLN A 350       4.285  17.037  -3.431  1.00 13.12           N  
-ATOM    127  CA  GLN A 350       4.419  17.166  -1.988  1.00 13.43           C  
-ATOM    128  C   GLN A 350       5.510  16.223  -1.502  1.00  9.97           C  
-ATOM    129  O   GLN A 350       5.923  15.294  -2.196  1.00 11.21           O  
-ATOM    130  CB  GLN A 350       3.109  16.888  -1.274  1.00 17.00           C  
-ATOM    131  CG AGLN A 350       2.086  17.994  -1.457  0.50 13.19           C  
-ATOM    132  CD AGLN A 350       0.701  17.540  -1.069  0.50 12.56           C  
-ATOM    133  OE1AGLN A 350       0.216  16.501  -1.557  0.50 18.97           O  
-ATOM    134  NE2AGLN A 350       0.049  18.301  -0.192  0.50 15.21           N  
-ATOM    135  N   LEU A 351       5.980  16.475  -0.298  1.00  9.09           N  
-ATOM    136  CA  LEU A 351       7.002  15.642   0.309  1.00  7.79           C  
-ATOM    137  C   LEU A 351       6.406  14.423   0.970  1.00  6.95           C  
-ATOM    138  O   LEU A 351       7.112  13.436   1.174  1.00  7.83           O  
-ATOM    139  CB  LEU A 351       7.785  16.430   1.341  1.00 10.03           C  
-ATOM    140  CG  LEU A 351       8.464  17.680   0.774  1.00 13.65           C  
-ATOM    141  CD1 LEU A 351       9.327  18.337   1.851  1.00 16.68           C  
-ATOM    142  CD2 LEU A 351       9.285  17.333  -0.465  1.00 14.79           C  
-ATOM    143  N   GLY A 352       5.127  14.475   1.336  1.00  6.45           N  
-ATOM    144  CA  GLY A 352       4.529  13.361   2.072  1.00  5.80           C  
-ATOM    145  C   GLY A 352       4.856  13.345   3.551  1.00  5.53           C  
-ATOM    146  O   GLY A 352       5.144  12.296   4.119  1.00  6.57           O  
-ATOM    147  N   ILE A 353       4.790  14.519   4.179  1.00  6.22           N  
-ATOM    148  CA  ILE A 353       5.150  14.697   5.587  1.00  6.82           C  
-ATOM    149  C   ILE A 353       4.027  15.459   6.274  1.00  6.99           C  
-ATOM    150  O   ILE A 353       3.566  16.461   5.762  1.00  9.28           O  
-ATOM    151  CB  ILE A 353       6.489  15.508   5.743  1.00  8.22           C  
-ATOM    152  CG1 ILE A 353       7.649  14.867   4.981  1.00  9.99           C  
-ATOM    153  CG2 ILE A 353       6.832  15.684   7.223  1.00 12.01           C  
-ATOM    154  CD1 ILE A 353       8.873  15.766   4.839  1.00 13.13           C  
-ATOM    155  N   LYS A 354       3.586  14.957   7.413  1.00  7.07           N  
-ATOM    156  CA  LYS A 354       2.690  15.683   8.288  1.00  6.19           C  
-ATOM    157  C   LYS A 354       3.510  16.425   9.341  1.00  8.23           C  
-ATOM    158  O   LYS A 354       4.179  15.810  10.163  1.00  8.25           O  
-ATOM    159  CB  LYS A 354       1.699  14.734   8.954  1.00  8.22           C  
-ATOM    160  CG  LYS A 354       0.953  13.836   7.994  1.00 15.14           C  
-ATOM    161  CD  LYS A 354      -0.238  13.152   8.664  1.00 20.17           C  
-ATOM    162  CE  LYS A 354      -0.766  11.971   7.851  1.00 17.14           C  
-ATOM    163  NZ  LYS A 354      -1.781  11.169   8.587  1.00 23.82           N  
-ATOM    164  N   LEU A 355       3.477  17.754   9.278  1.00  6.53           N  
-ATOM    165  CA  LEU A 355       4.253  18.608  10.175  1.00  7.05           C  
-ATOM    166  C   LEU A 355       3.340  19.222  11.220  1.00  6.95           C  
-ATOM    167  O   LEU A 355       2.267  19.693  10.894  1.00  8.65           O  
-ATOM    168  CB  LEU A 355       4.977  19.717   9.405  1.00  9.04           C  
-ATOM    169  CG  LEU A 355       6.120  19.350   8.473  1.00 11.98           C  
-ATOM    170  CD1 LEU A 355       6.685  20.618   7.819  1.00 16.38           C  
-ATOM    171  CD2 LEU A 355       7.190  18.609   9.229  1.00 12.08           C  
-ATOM    172  N   VAL A 356       3.808  19.255  12.458  1.00  6.35           N  
-ATOM    173  CA  VAL A 356       3.041  19.777  13.571  1.00  6.35           C  
-ATOM    174  C   VAL A 356       3.855  20.658  14.495  1.00  6.32           C  
-ATOM    175  O   VAL A 356       5.072  20.554  14.588  1.00  7.02           O  
-ATOM    176  CB  VAL A 356       2.419  18.631  14.430  1.00  7.14           C  
-ATOM    177  CG1 VAL A 356       1.471  17.776  13.574  1.00 10.40           C  
-ATOM    178  CG2 VAL A 356       3.466  17.784  15.139  1.00  8.76           C  
-ATOM    179  N   ARG A 357       3.147  21.542  15.177  1.00  6.06           N  
-ATOM    180  CA  ARG A 357       3.667  22.214  16.353  1.00  6.42           C  
-ATOM    181  C   ARG A 357       3.277  21.419  17.588  1.00  7.93           C  
-ATOM    182  O   ARG A 357       2.320  20.643  17.569  1.00 10.12           O  
-ATOM    183  CB  ARG A 357       3.154  23.651  16.436  1.00  7.91           C  
-ATOM    184  CG  ARG A 357       1.670  23.812  16.738  1.00  8.11           C  
-ATOM    185  CD  ARG A 357       1.240  25.229  16.426  1.00 11.78           C  
-ATOM    186  NE  ARG A 357      -0.147  25.442  16.818  1.00 11.84           N  
-ATOM    187  CZ  ARG A 357      -0.924  26.419  16.356  1.00 13.32           C  
-ATOM    188  NH1 ARG A 357      -0.470  27.304  15.491  1.00 13.58           N  
-ATOM    189  NH2 ARG A 357      -2.176  26.505  16.774  1.00 15.33           N  
-ATOM    190  N   ARG A 358       4.018  21.637  18.670  1.00  7.87           N  
-ATOM    191  CA  ARG A 358       3.751  20.948  19.936  1.00 10.55           C  
-ATOM    192  C   ARG A 358       3.407  21.916  21.018  1.00 12.37           C  
-ATOM    193  O   ARG A 358       3.895  23.032  21.024  1.00 12.41           O  
-ATOM    194  CB  ARG A 358       4.972  20.177  20.387  1.00 11.13           C  
-ATOM    195  CG  ARG A 358       5.165  18.961  19.570  1.00 14.31           C  
-ATOM    196  CD  ARG A 358       6.317  18.166  20.053  1.00 14.64           C  
-ATOM    197  NE  ARG A 358       6.432  16.964  19.256  1.00 20.85           N  
-ATOM    198  CZ  ARG A 358       7.389  16.056  19.399  1.00 21.75           C  
-ATOM    199  NH1 ARG A 358       8.324  16.190  20.332  1.00 26.11           N  
-ATOM    200  NH2 ARG A 358       7.410  15.002  18.596  1.00 19.78           N  
-ATOM    201  N   THR A 359       2.593  21.449  21.958  1.00 13.46           N  
-ATOM    202  CA  THR A 359       2.064  22.292  23.024  1.00 16.07           C  
-ATOM    203  C   THR A 359       3.003  22.470  24.213  1.00 14.82           C  
-ATOM    204  O   THR A 359       2.719  23.286  25.078  1.00 19.95           O  
-ATOM    205  CB  THR A 359       0.724  21.742  23.541  1.00 15.98           C  
-ATOM    206  OG1 THR A 359       0.901  20.365  23.892  1.00 20.67           O  
-ATOM    207  CG2 THR A 359      -0.319  21.846  22.445  1.00 18.95           C  
-ATOM    208  N   ASP A 360       4.122  21.754  24.245  1.00 16.37           N  
-ATOM    209  CA  ASP A 360       5.000  21.772  25.411  1.00 18.65           C  
-ATOM    210  C   ASP A 360       6.472  21.999  25.078  1.00 17.69           C  
-ATOM    211  O   ASP A 360       7.320  21.926  25.961  1.00 20.53           O  
-ATOM    212  CB  ASP A 360       4.850  20.464  26.181  1.00 23.44           C  
-ATOM    213  CG  ASP A 360       5.179  19.239  25.334  1.00 31.95           C  
-ATOM    214  OD1 ASP A 360       5.466  19.385  24.118  1.00 29.18           O  
-ATOM    215  OD2 ASP A 360       5.137  18.121  25.887  1.00 45.79           O  
-ATOM    216  N   GLU A 361       6.790  22.264  23.815  1.00 15.18           N  
-ATOM    217  CA  GLU A 361       8.160  22.554  23.416  1.00 15.75           C  
-ATOM    218  C   GLU A 361       8.153  23.236  22.054  1.00 13.50           C  
-ATOM    219  O   GLU A 361       7.240  23.042  21.248  1.00 11.92           O  
-ATOM    220  CB  GLU A 361       8.999  21.268  23.355  1.00 17.87           C  
-ATOM    221  CG  GLU A 361       8.564  20.268  22.295  1.00 15.99           C  
-ATOM    222  CD  GLU A 361       9.431  19.010  22.286  1.00 17.81           C  
-ATOM    223  OE1 GLU A 361      10.659  19.146  22.161  1.00 25.99           O  
-ATOM    224  OE2 GLU A 361       8.881  17.905  22.411  1.00 32.00           O  
-ATOM    225  N   PRO A 362       9.178  24.036  21.791  1.00 11.31           N  
-ATOM    226  CA  PRO A 362       9.234  24.766  20.542  1.00  9.48           C  
-ATOM    227  C   PRO A 362       9.672  23.871  19.401  1.00 10.21           C  
-ATOM    228  O   PRO A 362      10.263  22.802  19.630  1.00 10.48           O  
-ATOM    229  CB  PRO A 362      10.283  25.836  20.815  1.00 13.51           C  
-ATOM    230  CG  PRO A 362      11.215  25.168  21.786  1.00 13.32           C  
-ATOM    231  CD  PRO A 362      10.337  24.320  22.656  1.00 13.95           C  
-ATOM    232  N   GLY A 363       9.388  24.307  18.178  1.00  8.28           N  
-ATOM    233  CA  GLY A 363       9.868  23.605  17.007  1.00  8.52           C  
-ATOM    234  C   GLY A 363       8.771  23.103  16.084  1.00  7.13           C  
-ATOM    235  O   GLY A 363       7.579  23.153  16.414  1.00  7.59           O  
-ATOM    236  N   VAL A 364       9.206  22.606  14.930  1.00  6.41           N  
-ATOM    237  CA  VAL A 364       8.341  21.984  13.950  1.00  6.55           C  
-ATOM    238  C   VAL A 364       8.734  20.517  13.912  1.00  5.36           C  
-ATOM    239  O   VAL A 364       9.921  20.186  13.789  1.00  6.15           O  
-ATOM    240  CB  VAL A 364       8.562  22.633  12.560  1.00  9.09           C  
-ATOM    241  CG1 VAL A 364       7.696  21.998  11.538  1.00 11.32           C  
-ATOM    242  CG2 VAL A 364       8.330  24.131  12.631  1.00 12.01           C  
-ATOM    243  N   PHE A 365       7.745  19.636  14.012  1.00  5.13           N  
-ATOM    244  CA  PHE A 365       7.985  18.206  14.179  1.00  6.39           C  
-ATOM    245  C   PHE A 365       7.260  17.401  13.145  1.00  6.13           C  
-ATOM    246  O   PHE A 365       6.154  17.747  12.715  1.00  8.29           O  
-ATOM    247  CB  PHE A 365       7.554  17.743  15.584  1.00  6.64           C  
-ATOM    248  CG  PHE A 365       8.328  18.414  16.676  1.00  6.56           C  
-ATOM    249  CD1 PHE A 365       9.453  17.844  17.194  1.00  6.87           C  
-ATOM    250  CD2 PHE A 365       7.922  19.638  17.169  1.00  6.58           C  
-ATOM    251  CE1 PHE A 365      10.178  18.486  18.181  1.00  8.33           C  
-ATOM    252  CE2 PHE A 365       8.641  20.269  18.156  1.00  8.36           C  
-ATOM    253  CZ  PHE A 365       9.765  19.681  18.653  1.00  8.49           C  
-ATOM    254  N   ILE A 366       7.866  16.282  12.766  1.00  5.72           N  
-ATOM    255  CA  ILE A 366       7.185  15.310  11.921  1.00  5.98           C  
-ATOM    256  C   ILE A 366       6.274  14.467  12.801  1.00  7.53           C  
-ATOM    257  O   ILE A 366       6.726  13.828  13.751  1.00  8.02           O  
-ATOM    258  CB  ILE A 366       8.192  14.401  11.195  1.00  6.56           C  
-ATOM    259  CG1 ILE A 366       9.084  15.265  10.320  1.00  7.81           C  
-ATOM    260  CG2 ILE A 366       7.493  13.339  10.346  1.00  8.37           C  
-ATOM    261  CD1 ILE A 366      10.065  14.515   9.462  1.00  9.96           C  
-ATOM    262  N   LEU A 367       4.981  14.441  12.481  1.00  6.69           N  
-ATOM    263  CA  LEU A 367       4.062  13.561  13.167  1.00  9.23           C  
-ATOM    264  C   LEU A 367       4.149  12.162  12.550  1.00  8.28           C  
-ATOM    265  O   LEU A 367       4.259  11.163  13.265  1.00  9.20           O  
-ATOM    266  CB  LEU A 367       2.651  14.122  13.100  1.00  9.63           C  
-ATOM    267  CG  LEU A 367       1.589  13.339  13.869  1.00 10.85           C  
-ATOM    268  CD1 LEU A 367       1.808  13.508  15.371  1.00 13.84           C  
-ATOM    269  CD2 LEU A 367       0.192  13.819  13.461  1.00 17.22           C  
-ATOM    270  N   ASP A 368       4.066  12.102  11.222  1.00  8.00           N  
-ATOM    271  CA  ASP A 368       4.172  10.849  10.482  1.00  8.97           C  
-ATOM    272  C   ASP A 368       4.374  11.200   9.011  1.00  7.38           C  
-ATOM    273  O   ASP A 368       4.342  12.361   8.636  1.00  7.85           O  
-ATOM    274  CB  ASP A 368       2.937   9.975  10.701  1.00 15.92           C  
-ATOM    275  CG  ASP A 368       1.688  10.662  10.296  1.00 18.18           C  
-ATOM    276  OD1 ASP A 368       1.592  10.998   9.115  1.00 27.37           O  
-ATOM    277  OD2 ASP A 368       0.793  10.869  11.145  1.00 37.45           O  
-ATOM    278  N   LEU A 369       4.617  10.172   8.213  1.00  9.96           N  
-ATOM    279  CA  LEU A 369       4.789  10.277   6.792  1.00  9.02           C  
-ATOM    280  C   LEU A 369       3.575   9.694   6.086  1.00 10.85           C  
-ATOM    281  O   LEU A 369       2.923   8.753   6.590  1.00 16.71           O  
-ATOM    282  CB  LEU A 369       6.040   9.523   6.346  1.00  9.54           C  
-ATOM    283  CG  LEU A 369       7.348   9.882   7.039  1.00 11.95           C  
-ATOM    284  CD1 LEU A 369       8.469   9.086   6.358  1.00 12.55           C  
-ATOM    285  CD2 LEU A 369       7.634  11.373   6.998  1.00 10.74           C  
-ATOM    286  N   LEU A 370       3.267  10.244   4.924  1.00 10.18           N  
-ATOM    287  CA  LEU A 370       2.173   9.751   4.101  1.00  9.91           C  
-ATOM    288  C   LEU A 370       2.603   8.536   3.287  1.00  9.77           C  
-ATOM    289  O   LEU A 370       3.694   8.497   2.729  1.00  9.19           O  
-ATOM    290  CB  LEU A 370       1.680  10.825   3.129  1.00 11.13           C  
-ATOM    291  CG ALEU A 370       1.134  12.139   3.683  0.50 15.44           C  
-ATOM    292  CG BLEU A 370       0.968  12.064   3.714  0.50 17.99           C  
-ATOM    293  CD1ALEU A 370       0.485  12.974   2.576  0.50 17.87           C  
-ATOM    294  CD1BLEU A 370       1.609  12.601   4.995  0.50 15.38           C  
-ATOM    295  CD2ALEU A 370       0.158  11.845   4.773  0.50 17.28           C  
-ATOM    296  CD2BLEU A 370       0.866  13.175   2.664  0.50 22.58           C  
-ATOM    297  N   GLU A 371       1.707   7.561   3.187  1.00 12.24           N  
-ATOM    298  CA  GLU A 371       1.930   6.353   2.392  1.00 14.34           C  
-ATOM    299  C   GLU A 371       2.369   6.686   0.979  1.00 13.82           C  
-ATOM    300  O   GLU A 371       1.738   7.485   0.314  1.00 14.65           O  
-ATOM    301  CB  GLU A 371       0.618   5.543   2.312  1.00 18.79           C  
-ATOM    302  CG  GLU A 371       0.785   4.168   1.682  1.00 22.16           C  
-ATOM    303  CD  GLU A 371      -0.488   3.358   1.710  1.00 31.25           C  
-ATOM    304  OE1 GLU A 371      -1.564   3.948   1.927  1.00 23.39           O  
-ATOM    305  OE2 GLU A 371      -0.412   2.128   1.508  1.00 44.28           O  
-ATOM    306  N   GLY A 372       3.467   6.086   0.533  1.00 11.43           N  
-ATOM    307  CA  GLY A 372       3.898   6.213  -0.864  1.00 14.98           C  
-ATOM    308  C   GLY A 372       4.490   7.564  -1.252  1.00 12.08           C  
-ATOM    309  O   GLY A 372       4.870   7.772  -2.408  1.00 13.34           O  
-ATOM    310  N   GLY A 373       4.612   8.482  -0.299  1.00  9.86           N  
-ATOM    311  CA  GLY A 373       5.146   9.787  -0.608  1.00  9.55           C  
-ATOM    312  C   GLY A 373       6.653   9.766  -0.727  1.00  7.46           C  
-ATOM    313  O   GLY A 373       7.303   8.764  -0.407  1.00  7.40           O  
-ATOM    314  N   LEU A 374       7.222  10.891  -1.146  1.00  7.62           N  
-ATOM    315  CA  LEU A 374       8.672  10.979  -1.316  1.00  8.00           C  
-ATOM    316  C   LEU A 374       9.398  10.637  -0.047  1.00  6.30           C  
-ATOM    317  O   LEU A 374      10.426   9.958  -0.078  1.00  6.05           O  
-ATOM    318  CB  LEU A 374       9.091  12.399  -1.714  1.00 10.73           C  
-ATOM    319  CG  LEU A 374       8.977  12.843  -3.153  1.00 14.71           C  
-ATOM    320  CD1 LEU A 374       9.439  14.280  -3.194  1.00 13.54           C  
-ATOM    321  CD2 LEU A 374       9.823  11.953  -4.047  1.00 13.69           C  
-ATOM    322  N   ALA A 375       8.923  11.169   1.076  1.00  6.10           N  
-ATOM    323  CA  ALA A 375       9.617  10.951   2.343  1.00  5.50           C  
-ATOM    324  C   ALA A 375       9.603   9.484   2.750  1.00  6.00           C  
-ATOM    325  O   ALA A 375      10.614   8.938   3.177  1.00  5.85           O  
-ATOM    326  CB  ALA A 375       9.039  11.836   3.429  1.00  6.62           C  
-ATOM    327  N   ALA A 376       8.451   8.841   2.592  1.00  5.17           N  
-ATOM    328  CA  ALA A 376       8.324   7.429   2.900  1.00  5.95           C  
-ATOM    329  C   ALA A 376       9.207   6.590   1.979  1.00  6.68           C  
-ATOM    330  O   ALA A 376       9.846   5.647   2.421  1.00  7.67           O  
-ATOM    331  CB  ALA A 376       6.877   6.965   2.811  1.00  8.50           C  
-ATOM    332  N   GLN A 377       9.239   6.927   0.693  1.00  6.75           N  
-ATOM    333  CA  GLN A 377      10.080   6.208  -0.242  1.00  5.96           C  
-ATOM    334  C   GLN A 377      11.545   6.330   0.121  1.00  5.84           C  
-ATOM    335  O   GLN A 377      12.322   5.375  -0.015  1.00  6.68           O  
-ATOM    336  CB  GLN A 377       9.884   6.725  -1.657  1.00  6.18           C  
-ATOM    337  CG  GLN A 377       8.528   6.335  -2.259  1.00  8.92           C  
-ATOM    338  CD  GLN A 377       8.364   6.902  -3.633  1.00 11.62           C  
-ATOM    339  OE1 GLN A 377       9.187   6.663  -4.520  1.00 14.68           O  
-ATOM    340  NE2 GLN A 377       7.314   7.675  -3.818  1.00 14.96           N  
-ATOM    341  N   ASP A 378      11.944   7.519   0.550  1.00  5.19           N  
-ATOM    342  CA  ASP A 378      13.315   7.747   0.941  1.00  5.40           C  
-ATOM    343  C   ASP A 378      13.687   6.947   2.180  1.00  6.21           C  
-ATOM    344  O   ASP A 378      14.794   6.435   2.255  1.00  7.92           O  
-ATOM    345  CB  ASP A 378      13.577   9.248   1.150  1.00  5.38           C  
-ATOM    346  CG  ASP A 378      14.928   9.517   1.707  1.00  7.25           C  
-ATOM    347  OD1 ASP A 378      15.893   9.620   0.899  1.00  7.92           O  
-ATOM    348  OD2 ASP A 378      15.039   9.605   2.962  1.00  7.45           O  
-ATOM    349  N   GLY A 379      12.777   6.884   3.146  1.00  6.05           N  
-ATOM    350  CA  GLY A 379      12.890   6.010   4.303  1.00  8.24           C  
-ATOM    351  C   GLY A 379      13.464   6.635   5.554  1.00  8.42           C  
-ATOM    352  O   GLY A 379      13.208   6.144   6.652  1.00 12.24           O  
-ATOM    353  N   ARG A 380      14.251   7.704   5.407  1.00  6.54           N  
-ATOM    354  CA  ARG A 380      15.018   8.218   6.545  1.00  8.04           C  
-ATOM    355  C   ARG A 380      14.197   8.973   7.569  1.00  8.63           C  
-ATOM    356  O   ARG A 380      14.369   8.776   8.766  1.00 13.68           O  
-ATOM    357  CB  ARG A 380      16.169   9.085   6.066  1.00  7.42           C  
-ATOM    358  CG  ARG A 380      17.222   8.284   5.355  1.00  9.19           C  
-ATOM    359  CD  ARG A 380      18.320   9.143   4.763  1.00  9.89           C  
-ATOM    360  NE  ARG A 380      17.874   9.848   3.578  1.00  8.34           N  
-ATOM    361  CZ  ARG A 380      18.629  10.670   2.865  1.00  7.37           C  
-ATOM    362  NH1 ARG A 380      19.872  10.932   3.235  1.00 10.70           N  
-ATOM    363  NH2 ARG A 380      18.144  11.253   1.797  1.00  8.55           N  
-ATOM    364  N   LEU A 381      13.341   9.866   7.116  1.00  7.63           N  
-ATOM    365  CA  LEU A 381      12.584  10.684   8.035  1.00  7.29           C  
-ATOM    366  C   LEU A 381      11.646   9.839   8.871  1.00  9.21           C  
-ATOM    367  O   LEU A 381      11.231   8.751   8.454  1.00 11.25           O  
-ATOM    368  CB  LEU A 381      11.816  11.766   7.291  1.00  7.30           C  
-ATOM    369  CG  LEU A 381      12.687  12.823   6.589  1.00  8.01           C  
-ATOM    370  CD1 LEU A 381      11.836  13.663   5.678  1.00 10.86           C  
-ATOM    371  CD2 LEU A 381      13.434  13.710   7.580  1.00  9.67           C  
-ATOM    372  N   SER A 382      11.325  10.343  10.062  1.00  7.94           N  
-ATOM    373  CA  SER A 382      10.576   9.586  11.039  1.00  8.89           C  
-ATOM    374  C   SER A 382       9.708  10.456  11.922  1.00  7.68           C  
-ATOM    375  O   SER A 382      10.045  11.579  12.207  1.00  7.74           O  
-ATOM    376  CB  SER A 382      11.569   8.839  11.926  1.00 10.93           C  
-ATOM    377  OG  SER A 382      10.887   7.933  12.776  1.00 14.79           O  
-ATOM    378  N   SER A 383       8.643   9.859  12.435  1.00  7.02           N  
-ATOM    379  CA  SER A 383       7.847  10.451  13.491  1.00  7.93           C  
-ATOM    380  C   SER A 383       8.764  10.917  14.610  1.00  6.25           C  
-ATOM    381  O   SER A 383       9.705  10.210  14.994  1.00  8.15           O  
-ATOM    382  CB ASER A 383       6.847   9.400  13.997  0.50  7.51           C  
-ATOM    383  CB BSER A 383       6.831   9.449  14.047  0.50  7.96           C  
-ATOM    384  OG ASER A 383       5.958   9.906  14.963  0.50  6.38           O  
-ATOM    385  OG BSER A 383       7.493   8.347  14.647  0.50 13.69           O  
-ATOM    386  N   ASN A 384       8.476  12.127  15.105  1.00  5.84           N  
-ATOM    387  CA  ASN A 384       9.180  12.780  16.210  1.00  6.94           C  
-ATOM    388  C   ASN A 384      10.454  13.506  15.833  1.00  6.49           C  
-ATOM    389  O   ASN A 384      11.045  14.165  16.682  1.00  8.19           O  
-ATOM    390  CB  ASN A 384       9.345  11.845  17.409  1.00  8.16           C  
-ATOM    391  CG  ASN A 384       8.018  11.464  17.982  1.00  9.85           C  
-ATOM    392  OD1 ASN A 384       7.313  12.311  18.530  1.00 12.30           O  
-ATOM    393  ND2 ASN A 384       7.642  10.213  17.832  1.00  9.84           N  
-ATOM    394  N   ASP A 385      10.845  13.450  14.563  1.00  6.15           N  
-ATOM    395  CA  ASP A 385      11.970  14.223  14.106  1.00  5.99           C  
-ATOM    396  C   ASP A 385      11.601  15.697  14.206  1.00  6.29           C  
-ATOM    397  O   ASP A 385      10.491  16.107  13.839  1.00  6.95           O  
-ATOM    398  CB  ASP A 385      12.290  13.888  12.648  1.00  6.83           C  
-ATOM    399  CG  ASP A 385      13.037  12.585  12.472  1.00  8.10           C  
-ATOM    400  OD1 ASP A 385      13.484  11.982  13.468  1.00  8.15           O  
-ATOM    401  OD2 ASP A 385      13.210  12.189  11.298  1.00  8.89           O  
-ATOM    402  N   ARG A 386      12.550  16.500  14.650  1.00  5.25           N  
-ATOM    403  CA  ARG A 386      12.408  17.938  14.683  1.00  4.99           C  
-ATOM    404  C   ARG A 386      13.100  18.513  13.447  1.00  4.96           C  
-ATOM    405  O   ARG A 386      14.246  18.205  13.173  1.00  6.86           O  
-ATOM    406  CB  ARG A 386      13.041  18.529  15.935  1.00  6.14           C  
-ATOM    407  CG  ARG A 386      12.863  20.012  16.008  1.00  7.50           C  
-ATOM    408  CD  ARG A 386      13.501  20.585  17.212  1.00  8.27           C  
-ATOM    409  NE  ARG A 386      13.318  22.031  17.331  1.00  8.88           N  
-ATOM    410  CZ  ARG A 386      13.737  22.686  18.396  1.00 11.23           C  
-ATOM    411  NH1 ARG A 386      14.346  22.016  19.366  1.00 16.53           N  
-ATOM    412  NH2 ARG A 386      13.543  23.977  18.514  1.00 13.37           N  
-ATOM    413  N   VAL A 387      12.379  19.326  12.678  1.00  5.73           N  
-ATOM    414  CA  VAL A 387      12.946  19.961  11.493  1.00  6.02           C  
-ATOM    415  C   VAL A 387      13.643  21.257  11.915  1.00  5.20           C  
-ATOM    416  O   VAL A 387      12.992  22.215  12.306  1.00  6.89           O  
-ATOM    417  CB  VAL A 387      11.865  20.242  10.411  1.00  6.77           C  
-ATOM    418  CG1 VAL A 387      12.525  20.854   9.177  1.00  7.75           C  
-ATOM    419  CG2 VAL A 387      11.100  18.960  10.023  1.00  9.25           C  
-ATOM    420  N   LEU A 388      14.971  21.250  11.874  1.00  4.90           N  
-ATOM    421  CA  LEU A 388      15.774  22.399  12.259  1.00  5.97           C  
-ATOM    422  C   LEU A 388      15.917  23.418  11.129  1.00  5.73           C  
-ATOM    423  O   LEU A 388      16.055  24.599  11.409  1.00  6.02           O  
-ATOM    424  CB  LEU A 388      17.164  21.952  12.706  1.00  6.50           C  
-ATOM    425  CG  LEU A 388      17.211  21.067  13.939  1.00  7.90           C  
-ATOM    426  CD1 LEU A 388      18.665  20.650  14.173  1.00 10.54           C  
-ATOM    427  CD2 LEU A 388      16.639  21.761  15.161  1.00 12.65           C  
-ATOM    428  N   ALA A 389      15.899  22.967   9.877  1.00  4.96           N  
-ATOM    429  CA  ALA A 389      16.078  23.839   8.738  1.00  5.86           C  
-ATOM    430  C   ALA A 389      15.613  23.097   7.501  1.00  4.94           C  
-ATOM    431  O   ALA A 389      15.630  21.863   7.462  1.00  5.30           O  
-ATOM    432  CB  ALA A 389      17.559  24.243   8.565  1.00  7.39           C  
-ATOM    433  N   ILE A 390      15.205  23.857   6.494  1.00  4.78           N  
-ATOM    434  CA  ILE A 390      14.911  23.339   5.159  1.00  5.74           C  
-ATOM    435  C   ILE A 390      15.615  24.249   4.162  1.00  5.48           C  
-ATOM    436  O   ILE A 390      15.437  25.465   4.181  1.00  5.95           O  
-ATOM    437  CB  ILE A 390      13.401  23.285   4.848  1.00  7.45           C  
-ATOM    438  CG1 ILE A 390      12.699  22.291   5.772  1.00  8.31           C  
-ATOM    439  CG2 ILE A 390      13.155  22.833   3.436  1.00  7.99           C  
-ATOM    440  CD1 ILE A 390      11.186  22.199   5.602  1.00 11.74           C  
-ATOM    441  N   ASN A 391      16.488  23.659   3.347  1.00  5.37           N  
-ATOM    442  CA  ASN A 391      17.202  24.406   2.311  1.00  5.56           C  
-ATOM    443  C   ASN A 391      17.968  25.593   2.877  1.00  5.61           C  
-ATOM    444  O   ASN A 391      18.065  26.640   2.259  1.00  6.22           O  
-ATOM    445  CB  ASN A 391      16.242  24.820   1.190  1.00  6.55           C  
-ATOM    446  CG  ASN A 391      15.844  23.658   0.321  1.00  5.43           C  
-ATOM    447  OD1 ASN A 391      16.462  22.598   0.393  1.00  7.68           O  
-ATOM    448  ND2 ASN A 391      14.804  23.840  -0.499  1.00  9.08           N  
-ATOM    449  N   GLY A 392      18.531  25.413   4.066  1.00  7.13           N  
-ATOM    450  CA  GLY A 392      19.286  26.446   4.761  1.00  6.57           C  
-ATOM    451  C   GLY A 392      18.476  27.481   5.496  1.00  6.87           C  
-ATOM    452  O   GLY A 392      19.058  28.366   6.131  1.00 10.12           O  
-ATOM    453  N   HIS A 393      17.151  27.403   5.379  1.00  5.84           N  
-ATOM    454  CA  HIS A 393      16.246  28.308   6.057  1.00  6.38           C  
-ATOM    455  C   HIS A 393      15.969  27.768   7.456  1.00  6.08           C  
-ATOM    456  O   HIS A 393      15.431  26.677   7.615  1.00  7.61           O  
-ATOM    457  CB  HIS A 393      14.923  28.422   5.291  1.00  7.41           C  
-ATOM    458  CG  HIS A 393      15.059  28.970   3.905  1.00  9.29           C  
-ATOM    459  ND1 HIS A 393      14.673  30.244   3.565  1.00 15.26           N  
-ATOM    460  CD2 HIS A 393      15.508  28.403   2.762  1.00 11.08           C  
-ATOM    461  CE1 HIS A 393      14.916  30.455   2.284  1.00 15.78           C  
-ATOM    462  NE2 HIS A 393      15.439  29.353   1.773  1.00 10.90           N  
-ATOM    463  N   ASP A 394      16.284  28.556   8.478  1.00  7.12           N  
-ATOM    464  CA  ASP A 394      16.130  28.131   9.868  1.00  7.26           C  
-ATOM    465  C   ASP A 394      14.659  27.919  10.218  1.00  7.26           C  
-ATOM    466  O   ASP A 394      13.821  28.778   9.948  1.00  9.44           O  
-ATOM    467  CB  ASP A 394      16.723  29.213  10.787  1.00  9.51           C  
-ATOM    468  CG  ASP A 394      16.625  28.881  12.261  1.00 11.69           C  
-ATOM    469  OD1 ASP A 394      16.644  27.691  12.621  1.00 11.87           O  
-ATOM    470  OD2 ASP A 394      16.534  29.843  13.051  1.00 19.75           O  
-ATOM    471  N   LEU A 395      14.365  26.784  10.844  1.00  6.81           N  
-ATOM    472  CA  LEU A 395      13.042  26.461  11.358  1.00  7.03           C  
-ATOM    473  C   LEU A 395      13.065  26.067  12.836  1.00  6.56           C  
-ATOM    474  O   LEU A 395      12.072  25.571  13.367  1.00  7.03           O  
-ATOM    475  CB  LEU A 395      12.435  25.351  10.511  1.00  8.04           C  
-ATOM    476  CG  LEU A 395      11.842  25.803   9.173  1.00  9.58           C  
-ATOM    477  CD1 LEU A 395      11.547  24.580   8.318  1.00 14.23           C  
-ATOM    478  CD2 LEU A 395      10.558  26.562   9.377  1.00 11.51           C  
-ATOM    479  N   LYS A 396      14.176  26.298  13.525  1.00  6.57           N  
-ATOM    480  CA  LYS A 396      14.275  25.871  14.918  1.00  7.54           C  
-ATOM    481  C   LYS A 396      13.103  26.393  15.750  1.00  6.86           C  
-ATOM    482  O   LYS A 396      12.524  25.652  16.546  1.00  7.88           O  
-ATOM    483  CB  LYS A 396      15.603  26.320  15.527  1.00  9.50           C  
-ATOM    484  CG  LYS A 396      15.877  25.737  16.905  1.00 14.00           C  
-ATOM    485  CD  LYS A 396      17.286  25.997  17.394  1.00 18.24           C  
-ATOM    486  CE  LYS A 396      17.444  25.472  18.815  1.00 23.48           C  
-ATOM    487  N   TYR A 397      12.751  27.663  15.566  1.00  7.48           N  
-ATOM    488  CA  TYR A 397      11.624  28.256  16.273  1.00  8.17           C  
-ATOM    489  C   TYR A 397      10.497  28.626  15.316  1.00  8.44           C  
-ATOM    490  O   TYR A 397       9.719  29.543  15.565  1.00 11.33           O  
-ATOM    491  CB  TYR A 397      12.093  29.470  17.089  1.00 11.09           C  
-ATOM    492  CG  TYR A 397      13.152  29.097  18.092  1.00 11.97           C  
-ATOM    493  CD1 TYR A 397      12.812  28.444  19.262  1.00 14.21           C  
-ATOM    494  CD2 TYR A 397      14.501  29.305  17.825  1.00 15.02           C  
-ATOM    495  CE1 TYR A 397      13.775  28.061  20.178  1.00 17.55           C  
-ATOM    496  CE2 TYR A 397      15.471  28.924  18.736  1.00 20.96           C  
-ATOM    497  CZ  TYR A 397      15.099  28.298  19.905  1.00 20.25           C  
-ATOM    498  OH  TYR A 397      16.053  27.918  20.816  1.00 26.55           O  
-ATOM    499  N   GLY A 398      10.391  27.868  14.226  1.00  7.80           N  
-ATOM    500  CA  GLY A 398       9.456  28.141  13.163  1.00  8.27           C  
-ATOM    501  C   GLY A 398       8.106  27.507  13.394  1.00  7.91           C  
-ATOM    502  O   GLY A 398       7.804  27.015  14.472  1.00  7.59           O  
-ATOM    503  N   THR A 399       7.300  27.515  12.346  1.00  9.49           N  
-ATOM    504  CA  THR A 399       5.936  27.018  12.364  1.00  9.40           C  
-ATOM    505  C   THR A 399       5.689  26.091  11.183  1.00  9.04           C  
-ATOM    506  O   THR A 399       6.401  26.156  10.182  1.00  8.82           O  
-ATOM    507  CB  THR A 399       4.949  28.188  12.187  1.00  9.92           C  
-ATOM    508  OG1 THR A 399       5.184  28.803  10.915  1.00 12.44           O  
-ATOM    509  CG2 THR A 399       5.102  29.213  13.287  1.00 13.80           C  
-ATOM    510  N   PRO A 400       4.658  25.244  11.275  1.00  9.53           N  
-ATOM    511  CA  PRO A 400       4.247  24.481  10.100  1.00  8.74           C  
-ATOM    512  C   PRO A 400       3.988  25.364   8.877  1.00  9.67           C  
-ATOM    513  O   PRO A 400       4.337  24.995   7.759  1.00 10.04           O  
-ATOM    514  CB  PRO A 400       2.977  23.778  10.578  1.00 10.07           C  
-ATOM    515  CG  PRO A 400       3.200  23.593  12.032  1.00 11.46           C  
-ATOM    516  CD  PRO A 400       3.906  24.839  12.476  1.00 11.37           C  
-ATOM    517  N   GLU A 401       3.394  26.533   9.096  1.00  9.78           N  
-ATOM    518  CA  GLU A 401       3.116  27.444   8.001  1.00 11.62           C  
-ATOM    519  C   GLU A 401       4.362  27.913   7.288  1.00 10.80           C  
-ATOM    520  O   GLU A 401       4.391  27.980   6.050  1.00 13.59           O  
-ATOM    521  CB  GLU A 401       2.371  28.680   8.504  1.00 15.78           C  
-ATOM    522  CG  GLU A 401       0.939  28.454   8.841  1.00 22.69           C  
-ATOM    523  CD  GLU A 401       0.730  27.530  10.025  1.00 38.18           C  
-ATOM    524  OE1 GLU A 401       1.509  27.567  11.019  1.00 30.10           O  
-ATOM    525  OE2 GLU A 401      -0.241  26.753   9.956  1.00 46.84           O  
-ATOM    526  N   LEU A 402       5.377  28.283   8.060  1.00 10.10           N  
-ATOM    527  CA  LEU A 402       6.635  28.728   7.469  1.00 10.16           C  
-ATOM    528  C   LEU A 402       7.287  27.576   6.700  1.00  9.38           C  
-ATOM    529  O   LEU A 402       7.778  27.764   5.595  1.00 10.31           O  
-ATOM    530  CB  LEU A 402       7.557  29.283   8.549  1.00 13.39           C  
-ATOM    531  CG  LEU A 402       8.913  29.806   8.085  1.00 13.91           C  
-ATOM    532  CD1 LEU A 402       8.763  30.875   7.002  1.00 16.82           C  
-ATOM    533  CD2 LEU A 402       9.710  30.307   9.286  1.00 16.06           C  
-ATOM    534  N   ALA A 403       7.282  26.382   7.275  1.00  9.22           N  
-ATOM    535  CA  ALA A 403       7.801  25.207   6.554  1.00  8.31           C  
-ATOM    536  C   ALA A 403       7.056  24.999   5.230  1.00  8.63           C  
-ATOM    537  O   ALA A 403       7.679  24.743   4.207  1.00  9.95           O  
-ATOM    538  CB  ALA A 403       7.687  23.984   7.411  1.00  9.24           C  
-ATOM    539  N   ALA A 404       5.729  25.125   5.262  1.00  9.56           N  
-ATOM    540  CA  ALA A 404       4.901  24.975   4.076  1.00 10.82           C  
-ATOM    541  C   ALA A 404       5.282  25.984   3.003  1.00 10.30           C  
-ATOM    542  O   ALA A 404       5.370  25.639   1.841  1.00 11.75           O  
-ATOM    543  CB  ALA A 404       3.435  25.119   4.431  1.00 12.69           C  
-ATOM    544  N   GLN A 405       5.506  27.233   3.406  1.00 11.39           N  
-ATOM    545  CA  GLN A 405       5.878  28.302   2.476  1.00 12.45           C  
-ATOM    546  C   GLN A 405       7.207  27.962   1.806  1.00 12.12           C  
-ATOM    547  O   GLN A 405       7.353  28.082   0.581  1.00 12.87           O  
-ATOM    548  CB  GLN A 405       5.975  29.639   3.207  1.00 15.12           C  
-ATOM    549  CG  GLN A 405       4.633  30.242   3.569  1.00 26.64           C  
-ATOM    550  CD  GLN A 405       4.759  31.571   4.300  1.00 41.76           C  
-ATOM    551  OE1 GLN A 405       5.777  31.860   4.936  1.00 44.64           O  
-ATOM    552  NE2 GLN A 405       3.713  32.385   4.216  1.00 48.57           N  
-ATOM    553  N   ILE A 406       8.179  27.518   2.597  1.00 10.78           N  
-ATOM    554  CA  ILE A 406       9.494  27.153   2.059  1.00 11.01           C  
-ATOM    555  C   ILE A 406       9.399  25.976   1.090  1.00  9.44           C  
-ATOM    556  O   ILE A 406       9.934  26.028  -0.020  1.00 11.21           O  
-ATOM    557  CB  ILE A 406      10.495  26.822   3.185  1.00 10.04           C  
-ATOM    558  CG1 ILE A 406      10.756  28.065   4.042  1.00 12.22           C  
-ATOM    559  CG2 ILE A 406      11.806  26.269   2.626  1.00 11.05           C  
-ATOM    560  CD1 ILE A 406      11.281  27.733   5.431  1.00 13.45           C  
-ATOM    561  N   ILE A 407       8.672  24.931   1.481  1.00  9.74           N  
-ATOM    562  CA  ILE A 407       8.569  23.728   0.661  1.00  9.95           C  
-ATOM    563  C   ILE A 407       7.825  24.010  -0.644  1.00 11.91           C  
-ATOM    564  O   ILE A 407       8.246  23.557  -1.726  1.00 13.89           O  
-ATOM    565  CB  ILE A 407       7.907  22.592   1.429  1.00 10.93           C  
-ATOM    566  CG1 ILE A 407       8.843  22.115   2.522  1.00 10.18           C  
-ATOM    567  CG2 ILE A 407       7.582  21.426   0.509  1.00 12.72           C  
-ATOM    568  CD1 ILE A 407       8.119  21.328   3.647  1.00 13.36           C  
-ATOM    569  N   GLN A 408       6.741  24.780  -0.564  1.00 12.93           N  
-ATOM    570  CA  GLN A 408       5.961  25.074  -1.768  1.00 13.68           C  
-ATOM    571  C   GLN A 408       6.746  25.917  -2.773  1.00 13.60           C  
-ATOM    572  O   GLN A 408       6.574  25.734  -3.965  1.00 17.87           O  
-ATOM    573  CB  GLN A 408       4.657  25.750  -1.402  1.00 16.16           C  
-ATOM    574  CG  GLN A 408       3.669  24.773  -0.769  1.00 18.38           C  
-ATOM    575  CD  GLN A 408       2.441  25.471  -0.235  1.00 26.27           C  
-ATOM    576  OE1 GLN A 408       2.313  26.691  -0.338  1.00 34.21           O  
-ATOM    577  NE2 GLN A 408       1.530  24.705   0.337  1.00 29.94           N  
-ATOM    578  N   ALA A 409       7.609  26.812  -2.296  1.00 10.43           N  
-ATOM    579  CA  ALA A 409       8.437  27.639  -3.166  1.00 11.32           C  
-ATOM    580  C   ALA A 409       9.748  26.982  -3.584  1.00 11.10           C  
-ATOM    581  O   ALA A 409      10.468  27.561  -4.377  1.00 13.90           O  
-ATOM    582  CB  ALA A 409       8.707  28.987  -2.509  1.00 13.58           C  
-ATOM    583  N   SER A 410      10.065  25.793  -3.059  1.00  9.06           N  
-ATOM    584  CA  SER A 410      11.372  25.165  -3.256  1.00  9.49           C  
-ATOM    585  C   SER A 410      11.592  24.786  -4.692  1.00 10.15           C  
-ATOM    586  O   SER A 410      10.639  24.562  -5.437  1.00 14.75           O  
-ATOM    587  CB ASER A 410      11.469  23.906  -2.429  0.50  9.76           C  
-ATOM    588  CB BSER A 410      11.508  23.890  -2.388  0.50 10.54           C  
-ATOM    589  OG ASER A 410      10.601  22.959  -2.991  0.50 13.23           O  
-ATOM    590  OG BSER A 410      12.763  23.204  -2.554  0.50  9.51           O  
-ATOM    591  N   GLY A 411      12.861  24.707  -5.079  1.00  7.78           N  
-ATOM    592  CA  GLY A 411      13.221  24.044  -6.296  1.00  9.54           C  
-ATOM    593  C   GLY A 411      13.129  22.543  -6.113  1.00  8.94           C  
-ATOM    594  O   GLY A 411      12.615  22.045  -5.120  1.00 10.77           O  
-ATOM    595  N   GLU A 412      13.674  21.791  -7.049  1.00  9.79           N  
-ATOM    596  CA  GLU A 412      13.501  20.344  -7.016  1.00  9.89           C  
-ATOM    597  C   GLU A 412      14.129  19.674  -5.794  1.00  9.48           C  
-ATOM    598  O   GLU A 412      13.577  18.718  -5.290  1.00 11.29           O  
-ATOM    599  CB  GLU A 412      13.953  19.685  -8.320  1.00 16.21           C  
-ATOM    600  CG  GLU A 412      15.398  19.861  -8.639  1.00 16.42           C  
-ATOM    601  CD  GLU A 412      16.323  18.856  -7.970  1.00 22.12           C  
-ATOM    602  OE1 GLU A 412      15.852  17.773  -7.589  1.00 22.98           O  
-ATOM    603  OE2 GLU A 412      17.531  19.158  -7.834  1.00 30.49           O  
-ATOM    604  N   ARG A 413      15.251  20.178  -5.304  1.00  8.87           N  
-ATOM    605  CA  ARG A 413      15.911  19.591  -4.148  1.00  8.68           C  
-ATOM    606  C   ARG A 413      15.411  20.246  -2.878  1.00  8.11           C  
-ATOM    607  O   ARG A 413      15.445  21.473  -2.722  1.00  9.37           O  
-ATOM    608  CB  ARG A 413      17.430  19.716  -4.256  1.00 11.07           C  
-ATOM    609  CG  ARG A 413      18.176  19.033  -3.108  1.00 13.32           C  
-ATOM    610  CD  ARG A 413      19.682  19.112  -3.324  1.00 24.79           C  
-ATOM    611  NE  ARG A 413      20.448  18.479  -2.245  1.00 27.84           N  
-ATOM    612  CZ  ARG A 413      20.993  19.118  -1.207  1.00 36.19           C  
-ATOM    613  NH1 ARG A 413      20.863  20.433  -1.054  1.00 33.72           N  
-ATOM    614  NH2 ARG A 413      21.671  18.426  -0.295  1.00 41.41           N  
-ATOM    615  N   VAL A 414      14.959  19.401  -1.963  1.00  6.86           N  
-ATOM    616  CA  VAL A 414      14.513  19.835  -0.643  1.00  6.31           C  
-ATOM    617  C   VAL A 414      15.382  19.116   0.383  1.00  6.33           C  
-ATOM    618  O   VAL A 414      15.236  17.909   0.611  1.00  8.05           O  
-ATOM    619  CB  VAL A 414      13.028  19.562  -0.396  1.00  7.85           C  
-ATOM    620  CG1 VAL A 414      12.610  20.149   0.932  1.00  9.26           C  
-ATOM    621  CG2 VAL A 414      12.177  20.137  -1.532  1.00 10.85           C  
-ATOM    622  N   ASN A 415      16.280  19.870   0.997  1.00  5.57           N  
-ATOM    623  CA  ASN A 415      17.158  19.331   2.032  1.00  5.84           C  
-ATOM    624  C   ASN A 415      16.603  19.693   3.400  1.00  5.43           C  
-ATOM    625  O   ASN A 415      16.397  20.860   3.676  1.00  9.69           O  
-ATOM    626  CB  ASN A 415      18.579  19.900   1.896  1.00  8.13           C  
-ATOM    627  CG  ASN A 415      19.516  19.209   2.822  1.00 12.01           C  
-ATOM    628  OD1 ASN A 415      19.750  18.001   2.675  1.00 16.43           O  
-ATOM    629  ND2 ASN A 415      19.968  19.910   3.861  1.00 16.19           N  
-ATOM    630  N   LEU A 416      16.354  18.700   4.242  1.00  5.52           N  
-ATOM    631  CA  LEU A 416      15.875  18.917   5.599  1.00  5.39           C  
-ATOM    632  C   LEU A 416      16.980  18.565   6.561  1.00  5.82           C  
-ATOM    633  O   LEU A 416      17.545  17.489   6.480  1.00  8.00           O  
-ATOM    634  CB  LEU A 416      14.653  18.038   5.889  1.00  6.63           C  
-ATOM    635  CG  LEU A 416      13.448  18.253   4.967  1.00  7.62           C  
-ATOM    636  CD1 LEU A 416      13.437  17.282   3.780  1.00 10.23           C  
-ATOM    637  CD2 LEU A 416      12.167  18.112   5.799  1.00 11.84           C  
-ATOM    638  N   THR A 417      17.279  19.480   7.477  1.00  5.80           N  
-ATOM    639  CA  THR A 417      18.161  19.195   8.594  1.00  5.83           C  
-ATOM    640  C   THR A 417      17.285  18.858   9.778  1.00  5.81           C  
-ATOM    641  O   THR A 417      16.420  19.644  10.181  1.00  6.34           O  
-ATOM    642  CB  THR A 417      19.072  20.384   8.934  1.00  7.22           C  
-ATOM    643  OG1 THR A 417      19.806  20.767   7.757  1.00 11.03           O  
-ATOM    644  CG2 THR A 417      20.050  20.060  10.048  1.00  9.42           C  
-ATOM    645  N   ILE A 418      17.508  17.664  10.320  1.00  4.76           N  
-ATOM    646  CA  ILE A 418      16.683  17.063  11.339  1.00  6.86           C  
-ATOM    647  C   ILE A 418      17.431  16.795  12.632  1.00  6.23           C  
-ATOM    648  O   ILE A 418      18.594  16.410  12.577  1.00  6.95           O  
-ATOM    649  CB  ILE A 418      16.266  15.653  10.761  1.00 14.19           C  
-ATOM    650  CG1 ILE A 418      15.517  15.810   9.448  1.00 13.77           C  
-ATOM    651  CG2 ILE A 418      15.551  14.836  11.763  1.00 17.42           C  
-ATOM    652  CD1 ILE A 418      14.351  16.566   9.612  1.00 10.45           C  
-ATOM    653  N   ALA A 419      16.739  16.976  13.757  1.00  6.25           N  
-ATOM    654  CA  ALA A 419      17.190  16.463  15.050  1.00  6.59           C  
-ATOM    655  C   ALA A 419      16.266  15.319  15.464  1.00  6.81           C  
-ATOM    656  O   ALA A 419      15.051  15.490  15.528  1.00  8.22           O  
-ATOM    657  CB  ALA A 419      17.200  17.563  16.105  1.00  8.55           C  
-ATOM    658  N   ARG A 420      16.864  14.166  15.753  1.00  7.51           N  
-ATOM    659  CA  ARG A 420      16.141  12.966  16.135  1.00  8.14           C  
-ATOM    660  C   ARG A 420      16.500  12.689  17.593  1.00  7.99           C  
-ATOM    661  O   ARG A 420      17.564  12.158  17.886  1.00  8.23           O  
-ATOM    662  CB  ARG A 420      16.548  11.809  15.238  1.00  8.42           C  
-ATOM    663  CG  ARG A 420      15.882  10.496  15.579  1.00  9.40           C  
-ATOM    664  CD  ARG A 420      16.088   9.500  14.466  1.00 10.06           C  
-ATOM    665  NE  ARG A 420      15.444   9.990  13.256  1.00  8.90           N  
-ATOM    666  CZ  ARG A 420      15.734   9.569  12.031  1.00 11.27           C  
-ATOM    667  NH1 ARG A 420      16.620   8.604  11.820  1.00 12.83           N  
-ATOM    668  NH2 ARG A 420      15.145  10.122  11.007  1.00 11.16           N  
-ATOM    669  N   PRO A 421      15.638  13.098  18.531  1.00 10.73           N  
-ATOM    670  CA  PRO A 421      16.030  12.918  19.925  1.00 10.69           C  
-ATOM    671  C   PRO A 421      15.854  11.499  20.425  1.00 10.66           C  
-ATOM    672  O   PRO A 421      15.081  10.700  19.871  1.00 14.66           O  
-ATOM    673  CB  PRO A 421      15.102  13.869  20.685  1.00 14.27           C  
-ATOM    674  CG  PRO A 421      14.609  14.838  19.670  1.00 18.94           C  
-ATOM    675  CD  PRO A 421      14.509  14.034  18.416  1.00 14.24           C  
-ATOM    676  N   GLY A 422      16.590  11.193  21.476  1.00 10.65           N  
-ATOM    677  CA  GLY A 422      16.292  10.059  22.300  1.00 14.39           C  
-ATOM    678  C   GLY A 422      16.821   8.730  21.823  1.00 12.94           C  
-ATOM    679  O   GLY A 422      17.450   8.599  20.778  1.00 16.65           O  
-ATOM    680  N   LYS A 423      16.595   7.725  22.648  1.00 13.32           N  
-ATOM    681  CA  LYS A 423      17.063   6.385  22.376  1.00 11.77           C  
-ATOM    682  C   LYS A 423      16.058   5.637  21.500  1.00 10.89           C  
-ATOM    683  O   LYS A 423      14.853   5.785  21.671  1.00 14.13           O  
-ATOM    684  CB  LYS A 423      17.224   5.631  23.701  1.00 13.46           C  
-ATOM    685  CG  LYS A 423      18.208   6.274  24.672  1.00 15.32           C  
-ATOM    686  CD  LYS A 423      18.301   5.467  25.954  1.00 14.96           C  
-ATOM    687  CE  LYS A 423      19.261   6.115  26.964  1.00 15.66           C  
-ATOM    688  NZ  LYS A 423      19.404   5.284  28.187  1.00 22.41           N  
-ATOM    689  N   PRO A 424      16.552   4.802  20.591  1.00  9.91           N  
-ATOM    690  CA  PRO A 424      15.651   4.023  19.745  1.00 12.24           C  
-ATOM    691  C   PRO A 424      15.025   2.841  20.462  1.00  9.07           C  
-ATOM    692  O   PRO A 424      14.020   2.324  20.007  1.00  9.13           O  
-ATOM    693  CB  PRO A 424      16.556   3.534  18.608  1.00 15.51           C  
-ATOM    694  CG  PRO A 424      17.917   3.641  19.116  1.00 15.26           C  
-ATOM    695  CD  PRO A 424      17.936   4.756  20.099  1.00 12.95           C  
-ATOM    696  N   GLU A 425      15.643   2.418  21.560  1.00  7.37           N  
-ATOM    697  CA  GLU A 425      15.206   1.255  22.324  1.00  7.95           C  
-ATOM    698  C   GLU A 425      15.405   1.564  23.788  1.00  8.05           C  
-ATOM    699  O   GLU A 425      16.476   2.010  24.200  1.00  9.27           O  
-ATOM    700  CB  GLU A 425      16.009  -0.003  21.975  1.00 10.27           C  
-ATOM    701  CG  GLU A 425      15.660  -1.161  22.901  1.00 14.89           C  
-ATOM    702  CD  GLU A 425      16.260  -2.480  22.466  1.00 18.63           C  
-ATOM    703  OE1 GLU A 425      17.066  -2.497  21.502  1.00 29.25           O  
-ATOM    704  OE2 GLU A 425      15.921  -3.515  23.099  1.00 20.57           O  
-ATOM    705  N   ILE A 426      14.387   1.273  24.590  1.00  8.17           N  
-ATOM    706  CA  ILE A 426      14.469   1.437  26.046  1.00  8.79           C  
-ATOM    707  C   ILE A 426      13.839   0.215  26.685  1.00  8.69           C  
-ATOM    708  O   ILE A 426      12.716  -0.158  26.382  1.00  8.14           O  
-ATOM    709  CB  ILE A 426      13.775   2.735  26.554  1.00  9.36           C  
-ATOM    710  CG1 ILE A 426      14.392   3.978  25.905  1.00 12.22           C  
-ATOM    711  CG2 ILE A 426      13.850   2.873  28.091  1.00 13.41           C  
-ATOM    712  CD1 ILE A 426      13.736   5.273  26.334  1.00 14.74           C  
-ATOM    713  N   GLU A 427      14.587  -0.408  27.588  1.00  8.99           N  
-ATOM    714  CA  GLU A 427      14.057  -1.493  28.389  1.00  8.22           C  
-ATOM    715  C   GLU A 427      13.584  -0.886  29.689  1.00  8.96           C  
-ATOM    716  O   GLU A 427      14.327  -0.151  30.370  1.00 11.67           O  
-ATOM    717  CB  GLU A 427      15.122  -2.569  28.575  1.00 11.04           C  
-ATOM    718  CG  GLU A 427      15.738  -2.924  27.220  1.00 16.67           C  
-ATOM    719  CD  GLU A 427      16.767  -4.011  27.276  1.00 16.35           C  
-ATOM    720  OE1 GLU A 427      16.762  -4.808  28.236  1.00 19.51           O  
-ATOM    721  OE2 GLU A 427      17.608  -4.048  26.330  1.00 22.62           O  
-ATOM    722  N   LEU A 428      12.324  -1.163  30.007  1.00 11.21           N  
-ATOM    723  CA  LEU A 428      11.677  -0.524  31.139  1.00 14.71           C  
-ATOM    724  C   LEU A 428      10.696  -1.450  31.825  1.00 17.18           C  
-ATOM    725  O   LEU A 428      10.717  -2.674  31.585  1.00 14.01           O  
-ATOM    726  CB  LEU A 428      10.988   0.768  30.675  1.00 20.18           C  
-ATOM    727  CG  LEU A 428      10.244   0.748  29.337  1.00 20.27           C  
-ATOM    728  CD1 LEU A 428       9.020  -0.139  29.452  1.00 23.09           C  
-ATOM    729  CD2 LEU A 428       9.858   2.172  28.859  1.00 23.60           C  
-ATOM    730  OXT LEU A 428       9.915  -0.965  32.662  1.00 21.45           O  

Deleted: SwiftApps/modFTDock/input/2x57-2.pdb
===================================================================
--- SwiftApps/modFTDock/input/2x57-2.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/2x57-2.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,808 +0,0 @@
-ATOM      1  N   GLY A -13      -0.278   5.309 -44.149  1.00 46.30           N  
-ATOM      2  CA  GLY A -13       0.017   3.883 -44.495  1.00 49.33           C  
-ATOM      3  C   GLY A -13       1.199   3.281 -43.741  1.00 47.87           C  
-ATOM      4  O   GLY A -13       1.024   2.382 -42.911  1.00 41.12           O  
-ATOM      5  N   VAL A -12       2.396   3.797 -44.030  1.00 47.05           N  
-ATOM      6  CA  VAL A -12       3.675   3.297 -43.466  1.00 46.24           C  
-ATOM      7  C   VAL A -12       3.679   3.103 -41.930  1.00 40.42           C  
-ATOM      8  O   VAL A -12       4.267   2.147 -41.428  1.00 33.91           O  
-ATOM      9  CB  VAL A -12       4.866   4.232 -43.864  1.00 47.04           C  
-ATOM     10  CG1 VAL A -12       6.193   3.667 -43.382  1.00 40.49           C  
-ATOM     11  CG2 VAL A -12       4.895   4.450 -45.376  1.00 51.30           C  
-ATOM     12  N   ASP A -11       3.052   4.024 -41.203  1.00 34.11           N  
-ATOM     13  CA  ASP A -11       2.790   3.835 -39.784  1.00 41.60           C  
-ATOM     14  C   ASP A -11       1.952   2.565 -39.515  1.00 40.09           C  
-ATOM     15  O   ASP A -11       2.284   1.758 -38.639  1.00 33.46           O  
-ATOM     16  CB  ASP A -11       2.097   5.068 -39.195  1.00 42.86           C  
-ATOM     17  CG  ASP A -11       3.065   6.172 -38.904  1.00 51.98           C  
-ATOM     18  OD1 ASP A -11       3.322   6.427 -37.703  1.00 51.57           O  
-ATOM     19  OD2 ASP A -11       3.601   6.749 -39.879  1.00 63.93           O  
-ATOM     20  N   LEU A -10       0.900   2.389 -40.307  1.00 39.59           N  
-ATOM     21  CA  LEU A -10      -0.007   1.250 -40.179  1.00 40.34           C  
-ATOM     22  C   LEU A -10       0.511  -0.003 -40.924  1.00 35.30           C  
-ATOM     23  O   LEU A -10      -0.173  -1.031 -40.918  1.00 34.02           O  
-ATOM     24  CB  LEU A -10      -1.398   1.632 -40.720  1.00 43.73           C  
-ATOM     25  CG  LEU A -10      -2.033   2.960 -40.258  1.00 52.62           C  
-ATOM     26  CD1 LEU A -10      -3.018   3.506 -41.309  1.00 51.94           C  
-ATOM     27  CD2 LEU A -10      -2.710   2.810 -38.908  1.00 46.99           C  
-ATOM     28  N   GLY A  -9       1.682   0.092 -41.582  1.00 23.68           N  
-ATOM     29  CA  GLY A  -9       2.348  -1.069 -42.200  1.00 17.29           C  
-ATOM     30  C   GLY A  -9       2.649  -2.105 -41.128  1.00 13.22           C  
-ATOM     31  O   GLY A  -9       2.925  -1.729 -39.989  1.00 10.50           O  
-ATOM     32  N   THR A  -8       2.558  -3.410 -41.450  1.00 10.36           N  
-ATOM     33  CA  THR A  -8       2.569  -4.415 -40.392  1.00  5.66           C  
-ATOM     34  C   THR A  -8       3.945  -4.612 -39.750  1.00  7.66           C  
-ATOM     35  O   THR A  -8       4.026  -4.999 -38.610  1.00  7.69           O  
-ATOM     36  CB  THR A  -8       1.969  -5.765 -40.818  1.00  9.78           C  
-ATOM     37  OG1 THR A  -8       2.501  -6.129 -42.083  1.00  8.41           O  
-ATOM     38  CG2 THR A  -8       0.411  -5.670 -40.919  1.00 11.97           C  
-ATOM     39  N   GLU A  -7       5.016  -4.317 -40.475  1.00  7.37           N  
-ATOM     40  CA  GLU A  -7       6.350  -4.412 -39.923  1.00  7.33           C  
-ATOM     41  C   GLU A  -7       6.538  -3.375 -38.817  1.00  7.90           C  
-ATOM     42  O   GLU A  -7       7.045  -3.676 -37.720  1.00 12.10           O  
-ATOM     43  CB  GLU A  -7       7.343  -4.245 -41.074  1.00 11.31           C  
-ATOM     44  CG  GLU A  -7       8.641  -4.895 -40.838  1.00 24.11           C  
-ATOM     45  CD  GLU A  -7       9.630  -4.745 -42.001  1.00 20.81           C  
-ATOM     46  OE1 GLU A  -7       9.272  -4.316 -43.115  1.00 10.83           O  
-ATOM     47  OE2 GLU A  -7      10.800  -5.034 -41.756  1.00 17.84           O  
-ATOM     48  N   ASN A  -6       6.073  -2.159 -39.071  1.00  3.75           N  
-ATOM     49  CA  ASN A  -6       6.085  -1.127 -38.054  1.00  3.33           C  
-ATOM     50  C   ASN A  -6       5.128  -1.424 -36.958  1.00  3.21           C  
-ATOM     51  O   ASN A  -6       5.441  -1.217 -35.777  1.00  7.56           O  
-ATOM     52  CB  ASN A  -6       5.775   0.237 -38.641  1.00  5.17           C  
-ATOM     53  CG  ASN A  -6       5.884   1.314 -37.638  1.00 11.05           C  
-ATOM     54  OD1 ASN A  -6       6.918   1.484 -36.991  1.00  5.98           O  
-ATOM     55  ND2 ASN A  -6       4.792   2.029 -37.446  1.00  2.49           N  
-ATOM     56  N   LEU A  -5       3.988  -1.964 -37.286  1.00  6.09           N  
-ATOM     57  CA  LEU A  -5       3.058  -2.338 -36.191  1.00  9.29           C  
-ATOM     58  C   LEU A  -5       3.707  -3.385 -35.268  1.00 10.87           C  
-ATOM     59  O   LEU A  -5       3.681  -3.244 -34.046  1.00 10.42           O  
-ATOM     60  CB  LEU A  -5       1.685  -2.773 -36.712  1.00 14.27           C  
-ATOM     61  CG  LEU A  -5       0.774  -1.652 -37.292  1.00 34.07           C  
-ATOM     62  CD1 LEU A  -5      -0.559  -2.208 -37.841  1.00 26.06           C  
-ATOM     63  CD2 LEU A  -5       0.479  -0.507 -36.275  1.00 27.70           C  
-ATOM     64  N   TYR A  -4       4.392  -4.367 -35.842  1.00 15.17           N  
-ATOM     65  CA  TYR A  -4       5.123  -5.360 -35.028  1.00 15.98           C  
-ATOM     66  C   TYR A  -4       6.123  -4.669 -34.072  1.00 20.12           C  
-ATOM     67  O   TYR A  -4       6.125  -4.913 -32.849  1.00 13.58           O  
-ATOM     68  CB  TYR A  -4       5.836  -6.352 -35.987  1.00 18.61           C  
-ATOM     69  CG  TYR A  -4       6.860  -7.339 -35.371  1.00 23.03           C  
-ATOM     70  CD1 TYR A  -4       6.515  -8.633 -35.087  1.00 28.59           C  
-ATOM     71  CD2 TYR A  -4       8.186  -6.985 -35.203  1.00 38.85           C  
-ATOM     72  CE1 TYR A  -4       7.434  -9.546 -34.603  1.00 24.30           C  
-ATOM     73  CE2 TYR A  -4       9.106  -7.890 -34.703  1.00 35.20           C  
-ATOM     74  CZ  TYR A  -4       8.715  -9.182 -34.403  1.00 39.96           C  
-ATOM     75  OH  TYR A  -4       9.614 -10.121 -33.901  1.00 47.86           O  
-ATOM     76  N   PHE A  -3       6.984  -3.816 -34.643  1.00 14.76           N  
-ATOM     77  CA  PHE A  -3       8.000  -3.086 -33.840  1.00 15.04           C  
-ATOM     78  C   PHE A  -3       7.407  -2.222 -32.741  1.00 16.72           C  
-ATOM     79  O   PHE A  -3       7.898  -2.251 -31.607  1.00 16.47           O  
-ATOM     80  CB  PHE A  -3       8.902  -2.229 -34.729  1.00  8.47           C  
-ATOM     81  CG  PHE A  -3       9.780  -1.277 -33.970  1.00 10.08           C  
-ATOM     82  CD1 PHE A  -3      10.908  -1.717 -33.351  1.00 17.24           C  
-ATOM     83  CD2 PHE A  -3       9.468   0.043 -33.872  1.00 11.02           C  
-ATOM     84  CE1 PHE A  -3      11.667  -0.881 -32.666  1.00 12.28           C  
-ATOM     85  CE2 PHE A  -3      10.258   0.873 -33.202  1.00 12.91           C  
-ATOM     86  CZ  PHE A  -3      11.361   0.412 -32.622  1.00 11.28           C  
-ATOM     87  N   GLN A  -2       6.364  -1.459 -33.059  1.00 10.99           N  
-ATOM     88  CA  GLN A  -2       5.817  -0.481 -32.110  1.00 12.75           C  
-ATOM     89  C   GLN A  -2       5.269  -1.222 -30.903  1.00 16.69           C  
-ATOM     90  O   GLN A  -2       5.422  -0.772 -29.771  1.00 16.44           O  
-ATOM     91  CB  GLN A  -2       4.708   0.352 -32.738  1.00 14.43           C  
-ATOM     92  CG  GLN A  -2       5.197   1.264 -33.904  1.00  8.99           C  
-ATOM     93  CD  GLN A  -2       6.133   2.414 -33.457  1.00 12.09           C  
-ATOM     94  OE1 GLN A  -2       6.067   2.865 -32.311  1.00 12.96           O  
-ATOM     95  NE2 GLN A  -2       6.935   2.928 -34.384  1.00  9.97           N  
-ATOM     96  N   SER A  -1       4.653  -2.371 -31.158  1.00 15.80           N  
-ATOM     97  CA  SER A  -1       4.095  -3.218 -30.106  1.00 20.64           C  
-ATOM     98  C   SER A  -1       5.186  -3.850 -29.280  1.00 20.68           C  
-ATOM     99  O   SER A  -1       4.914  -4.365 -28.243  1.00 26.46           O  
-ATOM    100  CB ASER A  -1       3.212  -4.316 -30.697  0.50 20.67           C  
-ATOM    101  CB BSER A  -1       3.233  -4.329 -30.705  0.50 21.04           C  
-ATOM    102  OG ASER A  -1       3.998  -5.332 -31.291  0.50 20.78           O  
-ATOM    103  OG BSER A  -1       2.213  -3.805 -31.531  0.50 25.11           O  
-ATOM    112  N   ARG A  26       8.171  -2.184 -28.453  1.00 17.38           N  
-ATOM    113  CA  ARG A  26       9.063  -1.171 -27.945  1.00 17.25           C  
-ATOM    114  C   ARG A  26       9.200  -1.245 -26.426  1.00 20.69           C  
-ATOM    115  O   ARG A  26      10.297  -1.181 -25.935  1.00 16.87           O  
-ATOM    116  CB  ARG A  26       8.592   0.209 -28.362  1.00 17.13           C  
-ATOM    117  CG  ARG A  26       8.979   0.590 -29.777  1.00 12.54           C  
-ATOM    118  CD  ARG A  26       8.321   1.899 -30.189  1.00 14.01           C  
-ATOM    119  NE  ARG A  26       8.807   3.043 -29.434  1.00 15.79           N  
-ATOM    120  CZ  ARG A  26       8.314   4.276 -29.551  1.00 18.07           C  
-ATOM    121  NH1 ARG A  26       7.337   4.550 -30.407  1.00 17.32           N  
-ATOM    122  NH2 ARG A  26       8.789   5.245 -28.814  1.00 18.45           N  
-ATOM    123  N   PHE A  27       8.109  -1.356 -25.684  1.00 20.10           N  
-ATOM    124  CA  PHE A  27       8.249  -1.416 -24.211  1.00 24.12           C  
-ATOM    125  C   PHE A  27       9.094  -2.623 -23.803  1.00 20.69           C  
-ATOM    126  O   PHE A  27      10.016  -2.510 -23.016  1.00 19.29           O  
-ATOM    127  CB  PHE A  27       6.890  -1.426 -23.486  1.00 30.72           C  
-ATOM    128  CG  PHE A  27       6.047  -0.144 -23.676  1.00 35.97           C  
-ATOM    129  CD1 PHE A  27       6.634   1.114 -23.866  1.00 49.14           C  
-ATOM    130  CD2 PHE A  27       4.646  -0.206 -23.636  1.00 56.64           C  
-ATOM    131  CE1 PHE A  27       5.839   2.273 -24.031  1.00 41.10           C  
-ATOM    132  CE2 PHE A  27       3.858   0.944 -23.793  1.00 55.11           C  
-ATOM    133  CZ  PHE A  27       4.464   2.183 -23.991  1.00 56.94           C  
-ATOM    134  N   HIS A  28       8.819  -3.758 -24.401  1.00 16.20           N  
-ATOM    135  CA  HIS A  28       9.563  -4.964 -24.134  1.00 19.05           C  
-ATOM    136  C   HIS A  28      11.058  -4.854 -24.459  1.00 26.76           C  
-ATOM    137  O   HIS A  28      11.924  -5.289 -23.701  1.00 24.01           O  
-ATOM    138  CB  HIS A  28       8.935  -6.142 -24.873  1.00 19.43           C  
-ATOM    139  CG  HIS A  28       9.853  -7.310 -25.033  1.00 22.17           C  
-ATOM    140  ND1 HIS A  28      10.034  -8.265 -24.057  1.00 33.70           N  
-ATOM    141  CD2 HIS A  28      10.665  -7.667 -26.061  1.00 40.14           C  
-ATOM    142  CE1 HIS A  28      10.914  -9.159 -24.471  1.00 44.82           C  
-ATOM    143  NE2 HIS A  28      11.322  -8.813 -25.681  1.00 36.98           N  
-ATOM    144  N   LEU A  29      11.387  -4.255 -25.583  1.00 20.02           N  
-ATOM    145  CA  LEU A  29      12.770  -4.103 -25.914  1.00 17.58           C  
-ATOM    146  C   LEU A  29      13.447  -3.165 -24.893  1.00 18.70           C  
-ATOM    147  O   LEU A  29      14.565  -3.401 -24.500  1.00 17.84           O  
-ATOM    148  CB  LEU A  29      12.894  -3.547 -27.341  1.00 20.67           C  
-ATOM    149  CG  LEU A  29      12.455  -4.477 -28.513  1.00 20.84           C  
-ATOM    150  CD1 LEU A  29      12.253  -3.656 -29.807  1.00 22.81           C  
-ATOM    151  CD2 LEU A  29      13.476  -5.617 -28.766  1.00 21.53           C  
-ATOM    152  N   GLU A  30      12.759  -2.099 -24.488  1.00 14.45           N  
-ATOM    153  CA  GLU A  30      13.342  -1.121 -23.603  1.00 19.22           C  
-ATOM    154  C   GLU A  30      13.555  -1.707 -22.203  1.00 21.59           C  
-ATOM    155  O   GLU A  30      14.604  -1.493 -21.582  1.00 16.61           O  
-ATOM    156  CB  GLU A  30      12.445   0.109 -23.515  1.00 23.31           C  
-ATOM    157  CG  GLU A  30      12.506   1.029 -24.742  1.00 21.69           C  
-ATOM    158  CD  GLU A  30      11.591   2.186 -24.593  1.00 24.15           C  
-ATOM    159  OE1 GLU A  30      11.842   3.031 -23.711  1.00 25.81           O  
-ATOM    160  OE2 GLU A  30      10.583   2.244 -25.314  1.00 27.66           O  
-ATOM    161  N   ILE A  31      12.564  -2.444 -21.716  1.00 17.77           N  
-ATOM    162  CA  ILE A  31      12.670  -3.067 -20.399  1.00 22.42           C  
-ATOM    163  C   ILE A  31      13.756  -4.140 -20.399  1.00 17.84           C  
-ATOM    164  O   ILE A  31      14.528  -4.239 -19.473  1.00 20.73           O  
-ATOM    165  CB  ILE A  31      11.299  -3.560 -19.867  1.00 26.55           C  
-ATOM    166  CG1 ILE A  31      10.395  -2.339 -19.591  1.00 25.99           C  
-ATOM    167  CG2 ILE A  31      11.471  -4.414 -18.562  1.00 19.16           C  
-ATOM    168  CD1 ILE A  31       8.883  -2.645 -19.432  1.00 25.29           C  
-ATOM    169  N   GLN A  32      13.835  -4.933 -21.444  1.00 21.75           N  
-ATOM    170  CA  GLN A  32      14.851  -5.953 -21.512  1.00 15.01           C  
-ATOM    171  C   GLN A  32      16.229  -5.351 -21.479  1.00 16.38           C  
-ATOM    172  O   GLN A  32      17.112  -5.885 -20.811  1.00 18.10           O  
-ATOM    173  CB  GLN A  32      14.620  -6.862 -22.737  1.00 21.57           C  
-ATOM    174  CG  GLN A  32      15.681  -7.951 -22.975  1.00 37.93           C  
-ATOM    175  CD  GLN A  32      15.401  -8.794 -24.232  1.00 53.33           C  
-ATOM    176  OE1 GLN A  32      15.601  -8.349 -25.361  1.00 47.95           O  
-ATOM    177  NE2 GLN A  32      14.932 -10.005 -24.028  1.00 32.36           N  
-ATOM    178  N   GLU A  33      16.456  -4.241 -22.183  1.00 16.71           N  
-ATOM    179  CA  GLU A  33      17.781  -3.589 -22.132  1.00 17.89           C  
-ATOM    180  C   GLU A  33      18.060  -3.064 -20.750  1.00 14.73           C  
-ATOM    181  O   GLU A  33      19.198  -3.107 -20.285  1.00 13.77           O  
-ATOM    182  CB  GLU A  33      17.933  -2.418 -23.158  1.00 18.47           C  
-ATOM    183  CG AGLU A  33      19.283  -1.762 -23.170  0.50 27.89           C  
-ATOM    184  CG BGLU A  33      19.225  -1.589 -22.945  0.50 28.36           C  
-ATOM    185  CD AGLU A  33      20.436  -2.723 -23.537  0.50 30.46           C  
-ATOM    186  CD BGLU A  33      19.662  -0.669 -24.109  0.50 42.26           C  
-ATOM    187  OE1AGLU A  33      20.231  -3.737 -24.267  0.50 21.12           O  
-ATOM    188  OE1BGLU A  33      19.933   0.532 -23.857  0.50 23.68           O  
-ATOM    189  OE2AGLU A  33      21.571  -2.451 -23.077  0.50 43.93           O  
-ATOM    190  OE2BGLU A  33      19.802  -1.148 -25.254  0.50 39.70           O  
-ATOM    191  N   GLU A  34      17.044  -2.550 -20.071  1.00 15.55           N  
-ATOM    192  CA  GLU A  34      17.250  -2.029 -18.694  1.00 18.15           C  
-ATOM    193  C   GLU A  34      17.561  -3.166 -17.682  1.00 12.76           C  
-ATOM    194  O   GLU A  34      18.427  -3.045 -16.809  1.00 15.87           O  
-ATOM    195  CB  GLU A  34      16.018  -1.247 -18.249  1.00 18.50           C  
-ATOM    196  CG  GLU A  34      16.308   0.020 -17.498  1.00 42.96           C  
-ATOM    197  CD  GLU A  34      17.371   0.920 -18.128  1.00 49.72           C  
-ATOM    198  OE1 GLU A  34      17.199   1.397 -19.277  1.00 55.18           O  
-ATOM    199  OE2 GLU A  34      18.381   1.148 -17.436  1.00 42.69           O  
-ATOM    200  N   GLU A  35      16.887  -4.280 -17.843  1.00 13.11           N  
-ATOM    201  CA  GLU A  35      17.185  -5.477 -17.058  1.00 13.21           C  
-ATOM    202  C   GLU A  35      18.565  -6.014 -17.346  1.00 16.43           C  
-ATOM    203  O   GLU A  35      19.276  -6.437 -16.423  1.00 15.20           O  
-ATOM    204  CB  GLU A  35      16.162  -6.529 -17.364  1.00 14.65           C  
-ATOM    205  CG  GLU A  35      14.823  -6.279 -16.751  1.00 17.86           C  
-ATOM    206  CD  GLU A  35      13.770  -7.331 -17.200  1.00 28.46           C  
-ATOM    207  OE1 GLU A  35      13.705  -7.659 -18.410  1.00 44.17           O  
-ATOM    208  OE2 GLU A  35      13.030  -7.831 -16.360  1.00 48.62           O  
-ATOM    209  N   THR A  36      18.972  -5.957 -18.617  1.00 11.34           N  
-ATOM    210  CA  THR A  36      20.267  -6.427 -19.001  1.00 10.76           C  
-ATOM    211  C   THR A  36      21.315  -5.564 -18.386  1.00  8.59           C  
-ATOM    212  O   THR A  36      22.305  -6.058 -17.870  1.00 13.18           O  
-ATOM    213  CB  THR A  36      20.455  -6.470 -20.539  1.00 15.46           C  
-ATOM    214  OG1 THR A  36      19.534  -7.410 -21.100  1.00 17.00           O  
-ATOM    215  CG2 THR A  36      21.909  -6.811 -20.944  1.00 11.53           C  
-ATOM    216  N   LYS A  37      21.120  -4.268 -18.410  1.00 14.12           N  
-ATOM    217  CA  LYS A  37      22.094  -3.383 -17.768  1.00 13.96           C  
-ATOM    218  C   LYS A  37      22.159  -3.623 -16.252  1.00 13.92           C  
-ATOM    219  O   LYS A  37      23.234  -3.586 -15.660  1.00 11.52           O  
-ATOM    220  CB  LYS A  37      21.756  -1.916 -18.048  1.00 23.91           C  
-ATOM    221  CG  LYS A  37      22.064  -1.447 -19.477  1.00 31.14           C  
-ATOM    222  CD  LYS A  37      21.585  -0.002 -19.676  1.00 46.36           C  
-ATOM    223  CE  LYS A  37      21.848   0.493 -21.092  1.00 58.24           C  
-ATOM    224  NZ  LYS A  37      20.877   1.557 -21.467  1.00 64.75           N  
-ATOM    225  N   CYS A  38      21.004  -3.884 -15.639  1.00 10.09           N  
-ATOM    226  CA  CYS A  38      20.956  -4.191 -14.225  1.00 11.29           C  
-ATOM    227  C   CYS A  38      21.711  -5.458 -13.939  1.00 10.25           C  
-ATOM    228  O   CYS A  38      22.567  -5.468 -13.057  1.00 13.82           O  
-ATOM    229  CB  CYS A  38      19.505  -4.313 -13.733  1.00 17.38           C  
-ATOM    230  SG  CYS A  38      19.365  -4.354 -11.943  1.00 12.04           S  
-ATOM    231  N   ALA A  39      21.466  -6.513 -14.714  1.00  8.48           N  
-ATOM    232  CA  ALA A  39      22.206  -7.756 -14.491  1.00  9.70           C  
-ATOM    233  C   ALA A  39      23.716  -7.501 -14.612  1.00 11.39           C  
-ATOM    234  O   ALA A  39      24.486  -8.006 -13.833  1.00  6.90           O  
-ATOM    235  CB  ALA A  39      21.790  -8.802 -15.492  1.00  5.61           C  
-ATOM    236  N   GLU A  40      24.143  -6.714 -15.600  1.00 11.37           N  
-ATOM    237  CA  GLU A  40      25.583  -6.455 -15.787  1.00 15.04           C  
-ATOM    238  C   GLU A  40      26.128  -5.650 -14.620  1.00 13.67           C  
-ATOM    239  O   GLU A  40      27.225  -5.909 -14.157  1.00 16.05           O  
-ATOM    240  CB  GLU A  40      25.874  -5.720 -17.104  1.00 15.09           C  
-ATOM    241  CG  GLU A  40      25.430  -6.455 -18.396  1.00 19.88           C  
-ATOM    242  CD  GLU A  40      26.312  -7.635 -18.779  1.00 36.68           C  
-ATOM    243  OE1 GLU A  40      27.304  -7.919 -18.074  1.00 38.71           O  
-ATOM    244  OE2 GLU A  40      26.009  -8.296 -19.798  1.00 33.49           O  
-ATOM    245  N   LEU A  41      25.349  -4.691 -14.118  1.00 14.81           N  
-ATOM    246  CA  LEU A  41      25.797  -3.891 -12.974  1.00 12.76           C  
-ATOM    247  C   LEU A  41      25.994  -4.778 -11.740  1.00 17.13           C  
-ATOM    248  O   LEU A  41      27.023  -4.693 -11.062  1.00 15.66           O  
-ATOM    249  CB  LEU A  41      24.787  -2.792 -12.641  1.00 15.21           C  
-ATOM    250  CG  LEU A  41      25.179  -1.797 -11.526  1.00 25.07           C  
-ATOM    251  CD1 LEU A  41      26.427  -0.985 -11.905  1.00 22.69           C  
-ATOM    252  CD2 LEU A  41      24.031  -0.859 -11.194  1.00 19.56           C  
-ATOM    253  N   LEU A  42      25.009  -5.618 -11.441  1.00 12.27           N  
-ATOM    254  CA  LEU A  42      25.100  -6.462 -10.268  1.00 12.88           C  
-ATOM    255  C   LEU A  42      26.273  -7.401 -10.374  1.00 13.78           C  
-ATOM    256  O   LEU A  42      26.987  -7.648  -9.395  1.00 18.10           O  
-ATOM    257  CB  LEU A  42      23.815  -7.262 -10.048  1.00 12.29           C  
-ATOM    258  CG  LEU A  42      22.525  -6.438  -9.905  1.00 21.11           C  
-ATOM    259  CD1 LEU A  42      21.407  -7.219  -9.245  1.00 14.31           C  
-ATOM    260  CD2 LEU A  42      22.786  -5.163  -9.168  1.00 17.94           C  
-ATOM    261  N   ARG A  43      26.477  -7.930 -11.568  1.00 17.08           N  
-ATOM    262  CA  ARG A  43      27.566  -8.863 -11.782  1.00 16.64           C  
-ATOM    263  C   ARG A  43      28.959  -8.244 -11.563  1.00 21.46           C  
-ATOM    264  O   ARG A  43      29.828  -8.890 -11.013  1.00 19.47           O  
-ATOM    265  CB  ARG A  43      27.485  -9.462 -13.189  1.00 13.55           C  
-ATOM    266  CG  ARG A  43      28.431 -10.648 -13.393  1.00 19.68           C  
-ATOM    267  CD  ARG A  43      28.099 -11.806 -12.449  1.00 21.49           C  
-ATOM    268  NE  ARG A  43      26.789 -12.384 -12.749  1.00 25.59           N  
-ATOM    269  CZ  ARG A  43      26.120 -13.226 -11.965  1.00 34.11           C  
-ATOM    270  NH1 ARG A  43      26.612 -13.620 -10.794  1.00 50.00           N  
-ATOM    271  NH2 ARG A  43      24.939 -13.679 -12.373  1.00 32.67           N  
-ATOM    272  N   SER A  44      29.151  -7.004 -12.007  1.00 25.38           N  
-ATOM    273  CA  SER A  44      30.443  -6.319 -11.926  1.00 27.10           C  
-ATOM    274  C   SER A  44      30.777  -5.950 -10.503  1.00 24.93           C  
-ATOM    275  O   SER A  44      31.877  -5.523 -10.220  1.00 33.07           O  
-ATOM    276  CB  SER A  44      30.417  -5.032 -12.760  1.00 26.34           C  
-ATOM    277  OG  SER A  44      29.600  -4.036 -12.135  1.00 28.62           O  
-ATOM    278  N   GLN A  45      29.805  -6.107  -9.618  1.00 32.26           N  
-ATOM    279  CA  GLN A  45      29.896  -5.641  -8.248  1.00 39.01           C  
-ATOM    280  C   GLN A  45      29.881  -6.790  -7.229  1.00 46.17           C  
-ATOM    281  O   GLN A  45      29.941  -6.526  -6.022  1.00 47.59           O  
-ATOM    282  CB  GLN A  45      28.700  -4.715  -7.985  1.00 39.60           C  
-ATOM    283  CG  GLN A  45      28.946  -3.616  -6.960  1.00 56.97           C  
-ATOM    284  CD  GLN A  45      28.494  -2.240  -7.433  1.00 71.63           C  
-ATOM    285  OE1 GLN A  45      27.694  -2.110  -8.365  1.00 58.85           O  
-ATOM    286  NE2 GLN A  45      29.023  -1.202  -6.793  1.00 70.04           N  
-ATOM    287  N   THR A  46      29.819  -8.048  -7.696  1.00 52.43           N  
-ATOM    288  CA  THR A  46      29.517  -9.206  -6.805  1.00 56.65           C  
-ATOM    289  C   THR A  46      30.603  -9.561  -5.781  1.00 56.93           C  
-ATOM    290  O   THR A  46      30.360 -10.385  -4.893  1.00 57.58           O  
-ATOM    291  CB  THR A  46      29.129 -10.524  -7.585  1.00 57.25           C  
-ATOM    292  OG1 THR A  46      29.843 -10.605  -8.823  1.00 58.88           O  
-ATOM    293  CG2 THR A  46      27.627 -10.592  -7.847  1.00 54.66           C  
-ATOM    294  N   GLU A  47      31.778  -8.939  -5.889  1.00 57.87           N  
-ATOM    295  CA  GLU A  47      32.880  -9.193  -4.951  1.00 57.79           C  
-ATOM    296  C   GLU A  47      32.971  -8.149  -3.817  1.00 55.59           C  
-ATOM    297  O   GLU A  47      34.027  -8.014  -3.186  1.00 56.49           O  
-ATOM    298  CB  GLU A  47      34.203  -9.282  -5.727  1.00 56.95           C  
-ATOM    299  CG  GLU A  47      34.168 -10.310  -6.865  1.00 59.45           C  
-ATOM    300  CD  GLU A  47      35.393 -10.247  -7.763  1.00 65.19           C  
-ATOM    301  OE1 GLU A  47      36.527 -10.304  -7.241  1.00 57.63           O  
-ATOM    302  OE2 GLU A  47      35.219 -10.149  -8.997  1.00 74.39           O  
-ATOM    303  N   LYS A  48      31.867  -7.439  -3.549  1.00 52.28           N  
-ATOM    304  CA  LYS A  48      31.802  -6.432  -2.468  1.00 53.13           C  
-ATOM    305  C   LYS A  48      30.996  -6.876  -1.224  1.00 52.70           C  
-ATOM    306  O   LYS A  48      31.341  -6.491  -0.101  1.00 51.14           O  
-ATOM    307  CB  LYS A  48      31.261  -5.096  -3.003  1.00 54.33           C  
-ATOM    308  CG  LYS A  48      32.320  -4.188  -3.636  1.00 55.84           C  
-ATOM    309  CD  LYS A  48      32.789  -4.722  -4.977  1.00 59.21           C  
-ATOM    310  CE  LYS A  48      33.645  -3.710  -5.715  1.00 62.17           C  
-ATOM    311  NZ  LYS A  48      33.812  -4.086  -7.140  1.00 59.11           N  
-ATOM    312  N   HIS A  49      29.939  -7.671  -1.433  1.00 51.39           N  
-ATOM    313  CA  HIS A  49      29.115  -8.266  -0.345  1.00 51.58           C  
-ATOM    314  C   HIS A  49      28.386  -7.251   0.556  1.00 48.80           C  
-ATOM    315  O   HIS A  49      28.430  -7.364   1.783  1.00 51.22           O  
-ATOM    316  CB  HIS A  49      29.946  -9.213   0.541  1.00 53.52           C  
-ATOM    317  CG  HIS A  49      30.845 -10.133  -0.222  1.00 65.39           C  
-ATOM    318  ND1 HIS A  49      30.432 -10.815  -1.347  1.00 69.68           N  
-ATOM    319  CD2 HIS A  49      32.136 -10.492  -0.015  1.00 63.48           C  
-ATOM    320  CE1 HIS A  49      31.433 -11.546  -1.807  1.00 66.45           C  
-ATOM    321  NE2 HIS A  49      32.477 -11.370  -1.016  1.00 74.82           N  
-ATOM    322  N   LYS A  50      27.687  -6.292  -0.051  1.00 43.19           N  
-ATOM    323  CA  LYS A  50      27.037  -5.201   0.698  1.00 37.14           C  
-ATOM    324  C   LYS A  50      25.756  -5.621   1.466  1.00 32.78           C  
-ATOM    325  O   LYS A  50      25.152  -6.658   1.182  1.00 33.93           O  
-ATOM    326  CB  LYS A  50      26.763  -4.016  -0.245  1.00 36.20           C  
-ATOM    327  CG  LYS A  50      28.048  -3.422  -0.843  1.00 38.27           C  
-ATOM    328  CD  LYS A  50      27.891  -1.970  -1.300  1.00 36.98           C  
-ATOM    329  CE  LYS A  50      29.178  -1.461  -1.947  1.00 45.70           C  
-ATOM    330  NZ  LYS A  50      28.919  -0.790  -3.251  1.00 44.81           N  
-ATOM    331  N   ALA A  51      25.358  -4.808   2.444  1.00 25.95           N  
-ATOM    332  CA  ALA A  51      24.207  -5.127   3.311  1.00 26.30           C  
-ATOM    333  C   ALA A  51      22.977  -5.477   2.500  1.00 25.93           C  
-ATOM    334  O   ALA A  51      22.351  -6.509   2.718  1.00 27.51           O  
-ATOM    335  CB  ALA A  51      23.887  -3.947   4.248  1.00 21.58           C  
-ATOM    336  N   CYS A  52      22.654  -4.592   1.559  1.00 25.77           N  
-ATOM    337  CA  CYS A  52      21.519  -4.748   0.668  1.00 22.86           C  
-ATOM    338  C   CYS A  52      22.048  -5.006  -0.727  1.00 22.40           C  
-ATOM    339  O   CYS A  52      22.537  -4.075  -1.390  1.00 23.41           O  
-ATOM    340  CB  CYS A  52      20.696  -3.461   0.631  1.00 22.07           C  
-ATOM    341  SG  CYS A  52      19.921  -2.945   2.152  1.00 24.90           S  
-ATOM    342  N   SER A  53      21.940  -6.247  -1.198  1.00 19.12           N  
-ATOM    343  CA  SER A  53      22.403  -6.562  -2.548  1.00 20.68           C  
-ATOM    344  C   SER A  53      21.418  -6.044  -3.595  1.00 21.65           C  
-ATOM    345  O   SER A  53      20.284  -5.657  -3.288  1.00 19.30           O  
-ATOM    346  CB  SER A  53      22.657  -8.056  -2.731  1.00 26.03           C  
-ATOM    347  OG  SER A  53      21.563  -8.811  -2.281  1.00 37.61           O  
-ATOM    348  N   GLY A  54      21.881  -6.007  -4.830  1.00 17.73           N  
-ATOM    349  CA  GLY A  54      21.132  -5.390  -5.900  1.00 16.56           C  
-ATOM    350  C   GLY A  54      19.808  -6.093  -6.111  1.00 13.02           C  
-ATOM    351  O   GLY A  54      19.726  -7.313  -6.040  1.00 15.06           O  
-ATOM    352  N   VAL A  55      18.773  -5.310  -6.373  1.00 11.96           N  
-ATOM    353  CA  VAL A  55      17.464  -5.864  -6.684  1.00 12.81           C  
-ATOM    354  C   VAL A  55      16.841  -5.102  -7.810  1.00 16.34           C  
-ATOM    355  O   VAL A  55      17.244  -3.976  -8.105  1.00 15.81           O  
-ATOM    356  CB  VAL A  55      16.554  -5.822  -5.451  1.00 17.35           C  
-ATOM    357  CG1 VAL A  55      17.156  -6.680  -4.324  1.00 13.68           C  
-ATOM    358  CG2 VAL A  55      16.323  -4.373  -4.979  1.00  9.80           C  
-ATOM    359  N   TRP A  56      15.876  -5.747  -8.448  1.00 16.25           N  
-ATOM    360  CA  TRP A  56      15.056  -5.152  -9.502  1.00 16.79           C  
-ATOM    361  C   TRP A  56      13.610  -5.075  -8.945  1.00 16.93           C  
-ATOM    362  O   TRP A  56      13.041  -6.096  -8.540  1.00 13.08           O  
-ATOM    363  CB  TRP A  56      15.115  -6.052 -10.744  1.00 14.22           C  
-ATOM    364  CG  TRP A  56      14.200  -5.664 -11.864  1.00 10.77           C  
-ATOM    365  CD1 TRP A  56      12.941  -6.159 -12.112  1.00 12.12           C  
-ATOM    366  CD2 TRP A  56      14.467  -4.713 -12.909  1.00 12.97           C  
-ATOM    367  NE1 TRP A  56      12.407  -5.536 -13.192  1.00 13.76           N  
-ATOM    368  CE2 TRP A  56      13.325  -4.660 -13.717  1.00 16.47           C  
-ATOM    369  CE3 TRP A  56      15.563  -3.919 -13.239  1.00 18.45           C  
-ATOM    370  CZ2 TRP A  56      13.246  -3.847 -14.836  1.00 19.08           C  
-ATOM    371  CZ3 TRP A  56      15.484  -3.101 -14.343  1.00 15.16           C  
-ATOM    372  CH2 TRP A  56      14.325  -3.068 -15.133  1.00 11.82           C  
-ATOM    373  N   ASP A  57      13.063  -3.868  -8.866  1.00 13.77           N  
-ATOM    374  CA  ASP A  57      11.737  -3.646  -8.302  1.00 16.11           C  
-ATOM    375  C   ASP A  57      11.151  -2.407  -8.953  1.00 15.80           C  
-ATOM    376  O   ASP A  57      11.881  -1.460  -9.216  1.00 16.33           O  
-ATOM    377  CB  ASP A  57      11.874  -3.413  -6.810  1.00 21.77           C  
-ATOM    378  CG  ASP A  57      10.577  -3.594  -6.047  1.00 18.32           C  
-ATOM    379  OD1 ASP A  57       9.744  -4.450  -6.421  1.00 29.29           O  
-ATOM    380  OD2 ASP A  57      10.438  -2.906  -5.018  1.00 32.63           O  
-ATOM    381  N   ASN A  58       9.835  -2.389  -9.169  1.00 12.94           N  
-ATOM    382  CA  ASN A  58       9.179  -1.272  -9.806  1.00 13.94           C  
-ATOM    383  C   ASN A  58       9.895  -0.928 -11.118  1.00 18.64           C  
-ATOM    384  O   ASN A  58      10.215   0.227 -11.405  1.00 15.71           O  
-ATOM    385  CB  ASN A  58       9.092  -0.071  -8.839  1.00 16.60           C  
-ATOM    386  CG  ASN A  58       8.254  -0.365  -7.590  1.00 21.23           C  
-ATOM    387  OD1 ASN A  58       8.642  -0.009  -6.477  1.00 24.37           O  
-ATOM    388  ND2 ASN A  58       7.118  -1.044  -7.766  1.00 16.90           N  
-ATOM    389  N   ILE A  59      10.194  -1.970 -11.901  1.00 19.80           N  
-ATOM    390  CA  ILE A  59      10.835  -1.828 -13.192  1.00 14.97           C  
-ATOM    391  C   ILE A  59      12.089  -0.974 -13.161  1.00 16.42           C  
-ATOM    392  O   ILE A  59      12.357  -0.194 -14.084  1.00 19.04           O  
-ATOM    393  CB  ILE A  59       9.861  -1.231 -14.262  1.00 21.97           C  
-ATOM    394  CG1 ILE A  59       8.406  -1.619 -14.037  1.00 37.23           C  
-ATOM    395  CG2 ILE A  59      10.212  -1.738 -15.608  1.00 29.91           C  
-ATOM    396  CD1 ILE A  59       8.086  -3.009 -14.452  1.00 48.85           C  
-ATOM    397  N   THR A  60      12.868  -1.129 -12.112  1.00 15.60           N  
-ATOM    398  CA  THR A  60      13.964  -0.262 -11.820  1.00 16.33           C  
-ATOM    399  C   THR A  60      15.084  -1.081 -11.175  1.00 16.12           C  
-ATOM    400  O   THR A  60      14.848  -1.973 -10.370  1.00 13.05           O  
-ATOM    401  CB  THR A  60      13.511   0.853 -10.828  1.00 15.56           C  
-ATOM    402  OG1 THR A  60      12.555   1.674 -11.471  1.00 18.71           O  
-ATOM    403  CG2 THR A  60      14.665   1.732 -10.383  1.00 14.47           C  
-ATOM    404  N   CYS A  61      16.318  -0.746 -11.516  1.00 14.00           N  
-ATOM    405  CA  CYS A  61      17.481  -1.378 -10.910  1.00 14.34           C  
-ATOM    406  C   CYS A  61      17.902  -0.606  -9.676  1.00 13.50           C  
-ATOM    407  O   CYS A  61      18.074   0.597  -9.759  1.00 17.71           O  
-ATOM    408  CB  CYS A  61      18.656  -1.379 -11.906  1.00 18.93           C  
-ATOM    409  SG  CYS A  61      20.065  -2.413 -11.407  1.00 19.39           S  
-ATOM    410  N   TRP A  62      18.156  -1.305  -8.566  1.00 10.32           N  
-ATOM    411  CA  TRP A  62      18.524  -0.689  -7.333  1.00 13.39           C  
-ATOM    412  C   TRP A  62      19.911  -1.224  -7.032  1.00 15.32           C  
-ATOM    413  O   TRP A  62      20.071  -2.377  -6.630  1.00 16.94           O  
-ATOM    414  CB  TRP A  62      17.508  -1.036  -6.213  1.00 12.26           C  
-ATOM    415  CG  TRP A  62      16.120  -0.588  -6.568  1.00 13.32           C  
-ATOM    416  CD1 TRP A  62      15.164  -1.315  -7.192  1.00 16.70           C  
-ATOM    417  CD2 TRP A  62      15.574   0.715  -6.392  1.00 10.29           C  
-ATOM    418  NE1 TRP A  62      14.050  -0.559  -7.410  1.00 10.43           N  
-ATOM    419  CE2 TRP A  62      14.287   0.703  -6.939  1.00 10.96           C  
-ATOM    420  CE3 TRP A  62      16.073   1.907  -5.871  1.00 13.81           C  
-ATOM    421  CZ2 TRP A  62      13.477   1.824  -6.951  1.00 16.76           C  
-ATOM    422  CZ3 TRP A  62      15.261   3.030  -5.871  1.00 14.28           C  
-ATOM    423  CH2 TRP A  62      13.981   2.983  -6.407  1.00 19.62           C  
-ATOM    424  N   ARG A  63      20.917  -0.373  -7.208  1.00 14.58           N  
-ATOM    425  CA  ARG A  63      22.300  -0.777  -6.979  1.00 17.95           C  
-ATOM    426  C   ARG A  63      22.515  -1.279  -5.565  1.00 19.01           C  
-ATOM    427  O   ARG A  63      21.823  -0.842  -4.654  1.00 20.68           O  
-ATOM    428  CB  ARG A  63      23.249   0.390  -7.249  1.00 19.85           C  
-ATOM    429  CG  ARG A  63      23.027   1.598  -6.321  1.00 27.03           C  
-ATOM    430  CD  ARG A  63      24.158   2.602  -6.458  1.00 31.85           C  
-ATOM    431  NE  ARG A  63      24.047   3.681  -5.477  1.00 26.51           N  
-ATOM    432  CZ  ARG A  63      24.411   3.585  -4.204  1.00 29.06           C  
-ATOM    433  NH1 ARG A  63      24.912   2.451  -3.717  1.00 28.56           N  
-ATOM    434  NH2 ARG A  63      24.269   4.635  -3.400  1.00 33.56           N  
-ATOM    435  N   PRO A  64      23.508  -2.172  -5.364  1.00 22.14           N  
-ATOM    436  CA  PRO A  64      23.827  -2.627  -4.012  1.00 18.31           C  
-ATOM    437  C   PRO A  64      24.218  -1.462  -3.097  1.00 19.29           C  
-ATOM    438  O   PRO A  64      24.724  -0.435  -3.561  1.00 22.54           O  
-ATOM    439  CB  PRO A  64      25.022  -3.564  -4.220  1.00 20.79           C  
-ATOM    440  CG  PRO A  64      25.051  -3.892  -5.654  1.00 23.24           C  
-ATOM    441  CD  PRO A  64      24.415  -2.749  -6.374  1.00 25.73           C  
-ATOM    442  N   ALA A  65      23.983  -1.620  -1.815  1.00 19.62           N  
-ATOM    443  CA  ALA A  65      24.051  -0.492  -0.900  1.00 24.00           C  
-ATOM    444  C   ALA A  65      24.302  -0.952   0.526  1.00 23.14           C  
-ATOM    445  O   ALA A  65      24.050  -2.109   0.867  1.00 22.51           O  
-ATOM    446  CB  ALA A  65      22.734   0.321  -0.958  1.00 20.58           C  
-ATOM    447  N   ASN A  66      24.762  -0.018   1.354  1.00 26.45           N  
-ATOM    448  CA  ASN A  66      25.041  -0.273   2.760  1.00 27.20           C  
-ATOM    449  C   ASN A  66      24.028   0.445   3.628  1.00 26.66           C  
-ATOM    450  O   ASN A  66      23.392   1.408   3.190  1.00 28.54           O  
-ATOM    451  CB  ASN A  66      26.446   0.228   3.099  1.00 29.95           C  
-ATOM    452  CG  ASN A  66      27.492  -0.298   2.134  1.00 33.77           C  
-ATOM    453  OD1 ASN A  66      27.659  -1.512   1.995  1.00 31.72           O  
-ATOM    454  ND2 ASN A  66      28.210   0.609   1.458  1.00 27.11           N  
-ATOM    455  N   VAL A  67      23.892  -0.026   4.862  1.00 26.42           N  
-ATOM    456  CA  VAL A  67      22.939   0.537   5.809  1.00 28.43           C  
-ATOM    457  C   VAL A  67      23.087   2.059   5.876  1.00 27.58           C  
-ATOM    458  O   VAL A  67      24.194   2.580   5.811  1.00 28.79           O  
-ATOM    459  CB  VAL A  67      23.101  -0.089   7.201  1.00 26.86           C  
-ATOM    460  CG1 VAL A  67      22.813  -1.591   7.146  1.00 28.25           C  
-ATOM    461  CG2 VAL A  67      24.495   0.160   7.733  1.00 43.81           C  
-ATOM    462  N   GLY A  68      21.957   2.765   5.926  1.00 24.56           N  
-ATOM    463  CA  GLY A  68      21.943   4.230   5.995  1.00 22.53           C  
-ATOM    464  C   GLY A  68      21.923   4.915   4.639  1.00 25.82           C  
-ATOM    465  O   GLY A  68      21.700   6.123   4.561  1.00 25.99           O  
-ATOM    466  N   GLU A  69      22.153   4.165   3.563  1.00 25.46           N  
-ATOM    467  CA  GLU A  69      22.125   4.757   2.236  1.00 23.48           C  
-ATOM    468  C   GLU A  69      20.693   4.878   1.746  1.00 19.81           C  
-ATOM    469  O   GLU A  69      19.843   4.067   2.082  1.00 22.85           O  
-ATOM    470  CB  GLU A  69      22.913   3.913   1.242  1.00 25.80           C  
-ATOM    471  CG  GLU A  69      24.423   3.957   1.399  1.00 25.27           C  
-ATOM    472  CD  GLU A  69      25.068   3.433   0.139  1.00 25.83           C  
-ATOM    473  OE1 GLU A  69      25.325   4.243  -0.778  1.00 31.51           O  
-ATOM    474  OE2 GLU A  69      25.247   2.199   0.030  1.00 27.06           O  
-ATOM    475  N   THR A  70      20.448   5.900   0.944  1.00 20.53           N  
-ATOM    476  CA  THR A  70      19.212   6.054   0.208  1.00 20.93           C  
-ATOM    477  C   THR A  70      19.595   6.120  -1.250  1.00 23.34           C  
-ATOM    478  O   THR A  70      20.430   6.943  -1.627  1.00 24.22           O  
-ATOM    479  CB  THR A  70      18.502   7.350   0.597  1.00 24.57           C  
-ATOM    480  OG1 THR A  70      18.121   7.264   1.964  1.00 24.82           O  
-ATOM    481  CG2 THR A  70      17.260   7.602  -0.255  1.00 20.37           C  
-ATOM    482  N   VAL A  71      19.011   5.235  -2.056  1.00 19.98           N  
-ATOM    483  CA  VAL A  71      19.242   5.212  -3.483  1.00 16.17           C  
-ATOM    484  C   VAL A  71      18.032   5.873  -4.135  1.00 17.78           C  
-ATOM    485  O   VAL A  71      16.895   5.485  -3.877  1.00 17.46           O  
-ATOM    486  CB  VAL A  71      19.387   3.771  -3.984  1.00 18.82           C  
-ATOM    487  CG1 VAL A  71      19.489   3.729  -5.507  1.00 17.98           C  
-ATOM    488  CG2 VAL A  71      20.610   3.113  -3.319  1.00 18.25           C  
-ATOM    489  N   THR A  72      18.285   6.862  -4.978  1.00 17.90           N  
-ATOM    490  CA  THR A  72      17.231   7.613  -5.652  1.00 17.79           C  
-ATOM    491  C   THR A  72      17.525   7.625  -7.126  1.00 19.33           C  
-ATOM    492  O   THR A  72      18.634   7.997  -7.521  1.00 26.95           O  
-ATOM    493  CB  THR A  72      17.221   9.068  -5.179  1.00 21.45           C  
-ATOM    494  OG1 THR A  72      16.983   9.107  -3.771  1.00 19.30           O  
-ATOM    495  CG2 THR A  72      16.147   9.876  -5.901  1.00 28.60           C  
-ATOM    496  N   VAL A  73      16.544   7.238  -7.940  1.00 20.34           N  
-ATOM    497  CA  VAL A  73      16.695   7.219  -9.392  1.00 20.22           C  
-ATOM    498  C   VAL A  73      15.485   7.821 -10.073  1.00 24.66           C  
-ATOM    499  O   VAL A  73      14.399   7.895  -9.494  1.00 22.56           O  
-ATOM    500  CB  VAL A  73      16.871   5.795  -9.941  1.00 27.06           C  
-ATOM    501  CG1 VAL A  73      18.109   5.132  -9.308  1.00 27.62           C  
-ATOM    502  CG2 VAL A  73      15.642   4.976  -9.710  1.00 22.23           C  
-ATOM    503  N   PRO A  74      15.663   8.254 -11.328  1.00 25.90           N  
-ATOM    504  CA  PRO A  74      14.509   8.808 -12.019  1.00 23.59           C  
-ATOM    505  C   PRO A  74      13.483   7.727 -12.282  1.00 23.01           C  
-ATOM    506  O   PRO A  74      13.814   6.556 -12.307  1.00 24.45           O  
-ATOM    507  CB  PRO A  74      15.103   9.361 -13.332  1.00 27.01           C  
-ATOM    508  CG  PRO A  74      16.506   8.860 -13.389  1.00 32.02           C  
-ATOM    509  CD  PRO A  74      16.934   8.550 -12.021  1.00 26.53           C  
-ATOM    510  N   CYS A  75      12.243   8.127 -12.462  1.00 21.76           N  
-ATOM    511  CA  CYS A  75      11.211   7.197 -12.812  1.00 24.72           C  
-ATOM    512  C   CYS A  75      11.557   6.500 -14.132  1.00 24.43           C  
-ATOM    513  O   CYS A  75      12.287   7.041 -14.957  1.00 26.56           O  
-ATOM    514  CB  CYS A  75       9.875   7.912 -12.942  1.00 26.62           C  
-ATOM    515  SG  CYS A  75       9.133   8.355 -11.354  1.00 26.94           S  
-ATOM    516  N   PRO A  76      11.081   5.274 -14.322  1.00 20.88           N  
-ATOM    517  CA  PRO A  76      11.545   4.540 -15.511  1.00 22.92           C  
-ATOM    518  C   PRO A  76      11.163   5.263 -16.799  1.00 26.60           C  
-ATOM    519  O   PRO A  76      10.004   5.586 -16.988  1.00 25.74           O  
-ATOM    520  CB  PRO A  76      10.773   3.222 -15.423  1.00 29.79           C  
-ATOM    521  CG  PRO A  76      10.360   3.082 -14.028  1.00 27.28           C  
-ATOM    522  CD  PRO A  76      10.390   4.418 -13.367  1.00 23.82           C  
-ATOM    523  N   LYS A  77      12.113   5.504 -17.685  1.00 23.10           N  
-ATOM    524  CA  LYS A  77      11.821   6.342 -18.853  1.00 30.14           C  
-ATOM    525  C   LYS A  77      10.881   5.663 -19.850  1.00 22.99           C  
-ATOM    526  O   LYS A  77      10.179   6.338 -20.581  1.00 28.32           O  
-ATOM    527  CB  LYS A  77      13.092   6.846 -19.540  1.00 36.49           C  
-ATOM    528  CG  LYS A  77      14.046   5.781 -20.051  1.00 47.69           C  
-ATOM    529  CD  LYS A  77      15.386   6.413 -20.520  1.00 68.53           C  
-ATOM    530  CE  LYS A  77      16.464   5.359 -20.830  1.00 78.60           C  
-ATOM    531  NZ  LYS A  77      16.914   4.605 -19.609  1.00 85.86           N  
-ATOM    532  N   VAL A  78      10.793   4.343 -19.809  1.00 21.66           N  
-ATOM    533  CA  VAL A  78       9.963   3.607 -20.742  1.00 15.13           C  
-ATOM    534  C   VAL A  78       8.515   4.077 -20.731  1.00 21.51           C  
-ATOM    535  O   VAL A  78       7.866   4.036 -21.762  1.00 26.29           O  
-ATOM    536  CB  VAL A  78      10.013   2.096 -20.517  1.00 26.67           C  
-ATOM    537  CG1 VAL A  78       9.403   1.743 -19.178  1.00 29.93           C  
-ATOM    538  CG2 VAL A  78       9.270   1.385 -21.639  1.00 25.80           C  
-ATOM    539  N   PHE A  79       8.014   4.549 -19.599  1.00 20.11           N  
-ATOM    540  CA  PHE A  79       6.626   5.055 -19.531  1.00 27.31           C  
-ATOM    541  C   PHE A  79       6.513   6.608 -19.581  1.00 26.77           C  
-ATOM    542  O   PHE A  79       5.523   7.182 -19.137  1.00 27.78           O  
-ATOM    543  CB  PHE A  79       5.901   4.505 -18.277  1.00 29.11           C  
-ATOM    544  CG  PHE A  79       5.750   2.991 -18.263  1.00 35.07           C  
-ATOM    545  CD1 PHE A  79       5.326   2.303 -19.393  1.00 31.14           C  
-ATOM    546  CD2 PHE A  79       6.022   2.265 -17.111  1.00 38.85           C  
-ATOM    547  CE1 PHE A  79       5.204   0.918 -19.386  1.00 47.96           C  
-ATOM    548  CE2 PHE A  79       5.889   0.896 -17.094  1.00 43.53           C  
-ATOM    549  CZ  PHE A  79       5.489   0.219 -18.236  1.00 43.07           C  
-ATOM    550  N   SER A  80       7.516   7.261 -20.146  1.00 28.05           N  
-ATOM    551  CA  SER A  80       7.562   8.722 -20.257  1.00 33.46           C  
-ATOM    552  C   SER A  80       6.296   9.366 -20.813  1.00 28.89           C  
-ATOM    553  O   SER A  80       5.920  10.439 -20.361  1.00 30.86           O  
-ATOM    554  CB  SER A  80       8.758   9.134 -21.113  1.00 35.97           C  
-ATOM    555  OG  SER A  80       9.957   8.715 -20.479  1.00 46.85           O  
-ATOM    556  N   ASN A  81       5.610   8.705 -21.742  1.00 30.10           N  
-ATOM    557  CA  ASN A  81       4.391   9.300 -22.346  1.00 37.71           C  
-ATOM    558  C   ASN A  81       3.161   9.286 -21.451  1.00 36.75           C  
-ATOM    559  O   ASN A  81       2.164   9.927 -21.774  1.00 31.78           O  
-ATOM    560  CB  ASN A  81       4.053   8.645 -23.695  1.00 41.27           C  
-ATOM    561  CG  ASN A  81       4.936   9.159 -24.817  1.00 47.14           C  
-ATOM    562  OD1 ASN A  81       5.004  10.361 -25.057  1.00 66.91           O  
-ATOM    563  ND2 ASN A  81       5.646   8.253 -25.481  1.00 55.84           N  
-ATOM    564  N   PHE A  82       3.239   8.567 -20.334  1.00 34.01           N  
-ATOM    565  CA  PHE A  82       2.131   8.444 -19.404  1.00 30.73           C  
-ATOM    566  C   PHE A  82       2.391   9.178 -18.103  1.00 28.94           C  
-ATOM    567  O   PHE A  82       1.579   9.066 -17.191  1.00 27.01           O  
-ATOM    568  CB  PHE A  82       1.888   6.967 -19.078  1.00 31.78           C  
-ATOM    569  CG  PHE A  82       1.667   6.101 -20.286  1.00 40.55           C  
-ATOM    570  CD1 PHE A  82       0.391   5.948 -20.826  1.00 50.63           C  
-ATOM    571  CD2 PHE A  82       2.723   5.421 -20.866  1.00 41.13           C  
-ATOM    572  CE1 PHE A  82       0.181   5.138 -21.935  1.00 62.31           C  
-ATOM    573  CE2 PHE A  82       2.524   4.606 -21.974  1.00 49.43           C  
-ATOM    574  CZ  PHE A  82       1.251   4.464 -22.510  1.00 58.96           C  
-ATOM    575  N   TYR A  83       3.527   9.875 -17.986  1.00 32.63           N  
-ATOM    576  CA  TYR A  83       3.824  10.692 -16.791  1.00 32.11           C  
-ATOM    577  C   TYR A  83       3.332  12.121 -16.952  1.00 34.46           C  
-ATOM    578  O   TYR A  83       3.408  12.663 -18.042  1.00 36.53           O  
-ATOM    579  CB  TYR A  83       5.330  10.754 -16.524  1.00 34.04           C  
-ATOM    580  CG  TYR A  83       5.988   9.412 -16.285  1.00 37.93           C  
-ATOM    581  CD1 TYR A  83       5.308   8.364 -15.628  1.00 25.77           C  
-ATOM    582  CD2 TYR A  83       7.315   9.202 -16.665  1.00 40.78           C  
-ATOM    583  CE1 TYR A  83       5.940   7.135 -15.389  1.00 16.55           C  
-ATOM    584  CE2 TYR A  83       7.946   7.978 -16.441  1.00 33.96           C  
-ATOM    585  CZ  TYR A  83       7.251   6.942 -15.805  1.00 26.76           C  
-ATOM    586  OH  TYR A  83       7.866   5.712 -15.607  1.00 24.27           O  
-ATOM    587  N   SER A  84       2.856  12.738 -15.869  1.00 31.71           N  
-ATOM    588  CA  SER A  84       2.519  14.165 -15.897  1.00 38.06           C  
-ATOM    589  C   SER A  84       3.639  15.069 -15.329  1.00 44.52           C  
-ATOM    590  O   SER A  84       3.441  16.272 -15.156  1.00 46.20           O  
-ATOM    591  CB  SER A  84       1.187  14.408 -15.163  1.00 38.10           C  
-ATOM    592  OG  SER A  84       1.149  13.715 -13.930  1.00 27.30           O  
-ATOM    593  N   LYS A  85       4.813  14.493 -15.058  1.00 50.22           N  
-ATOM    594  CA  LYS A  85       5.938  15.223 -14.446  1.00 50.93           C  
-ATOM    595  C   LYS A  85       7.202  14.359 -14.421  1.00 49.29           C  
-ATOM    596  O   LYS A  85       7.125  13.126 -14.480  1.00 49.35           O  
-ATOM    597  CB  LYS A  85       5.595  15.639 -13.004  1.00 54.85           C  
-ATOM    598  CG  LYS A  85       5.243  14.461 -12.079  1.00 52.53           C  
-ATOM    599  CD  LYS A  85       5.110  14.916 -10.633  1.00 58.92           C  
-ATOM    600  CE  LYS A  85       4.856  13.739  -9.702  1.00 50.10           C  
-ATOM    601  NZ  LYS A  85       5.111  14.105  -8.281  1.00 42.93           N  
-ATOM    602  N   ALA A  86       8.361  15.004 -14.339  1.00 45.94           N  
-ATOM    603  CA  ALA A  86       9.618  14.283 -14.182  1.00 42.39           C  
-ATOM    604  C   ALA A  86       9.692  13.948 -12.721  1.00 36.89           C  
-ATOM    605  O   ALA A  86       9.662  14.840 -11.910  1.00 37.57           O  
-ATOM    606  CB  ALA A  86      10.810  15.145 -14.587  1.00 43.07           C  
-ATOM    607  N   GLY A  87       9.763  12.664 -12.383  1.00 33.51           N  
-ATOM    608  CA  GLY A  87       9.739  12.242 -10.994  1.00 27.02           C  
-ATOM    609  C   GLY A  87      10.911  11.353 -10.703  1.00 22.11           C  
-ATOM    610  O   GLY A  87      11.531  10.833 -11.625  1.00 22.38           O  
-ATOM    611  N   ASN A  88      11.174  11.159  -9.412  1.00 17.98           N  
-ATOM    612  CA  ASN A  88      12.177  10.215  -8.930  1.00 23.21           C  
-ATOM    613  C   ASN A  88      11.573   9.266  -7.884  1.00 19.18           C  
-ATOM    614  O   ASN A  88      10.607   9.606  -7.246  1.00 21.07           O  
-ATOM    615  CB  ASN A  88      13.351  10.969  -8.326  1.00 24.42           C  
-ATOM    616  CG  ASN A  88      14.002  11.923  -9.323  1.00 19.77           C  
-ATOM    617  OD1 ASN A  88      14.671  11.507 -10.255  1.00 22.94           O  
-ATOM    618  ND2 ASN A  88      13.800  13.196  -9.119  1.00 23.89           N  
-ATOM    619  N   ILE A  89      12.164   8.085  -7.740  1.00 16.29           N  
-ATOM    620  CA  ILE A  89      11.786   7.087  -6.753  1.00 15.89           C  
-ATOM    621  C   ILE A  89      13.021   6.658  -5.978  1.00 14.55           C  
-ATOM    622  O   ILE A  89      14.146   6.711  -6.502  1.00 16.79           O  
-ATOM    623  CB  ILE A  89      11.085   5.870  -7.370  1.00 18.31           C  
-ATOM    624  CG1 ILE A  89      11.826   5.336  -8.611  1.00 20.38           C  
-ATOM    625  CG2 ILE A  89       9.648   6.245  -7.728  1.00 19.43           C  
-ATOM    626  CD1 ILE A  89      11.212   4.083  -9.204  1.00 23.32           C  
-ATOM    627  N   SER A  90      12.797   6.259  -4.726  1.00 11.96           N  
-ATOM    628  CA  SER A  90      13.848   5.978  -3.790  1.00 16.83           C  
-ATOM    629  C   SER A  90      13.589   4.703  -3.001  1.00 11.79           C  
-ATOM    630  O   SER A  90      12.470   4.260  -2.876  1.00 15.33           O  
-ATOM    631  CB  SER A  90      13.995   7.143  -2.779  1.00 18.87           C  
-ATOM    632  OG  SER A  90      14.327   8.376  -3.411  1.00 24.21           O  
-ATOM    633  N   LYS A  91      14.665   4.143  -2.464  1.00 15.48           N  
-ATOM    634  CA  LYS A  91      14.638   3.115  -1.431  1.00 17.71           C  
-ATOM    635  C   LYS A  91      15.742   3.415  -0.435  1.00 18.74           C  
-ATOM    636  O   LYS A  91      16.815   3.899  -0.814  1.00 18.63           O  
-ATOM    637  CB  LYS A  91      14.925   1.731  -2.009  1.00 14.59           C  
-ATOM    638  CG  LYS A  91      13.784   1.116  -2.786  1.00 12.65           C  
-ATOM    639  CD  LYS A  91      14.094  -0.329  -3.055  1.00 18.73           C  
-ATOM    640  CE  LYS A  91      13.133  -0.932  -4.010  1.00 13.58           C  
-ATOM    641  NZ  LYS A  91      11.808  -1.100  -3.351  1.00  7.51           N  
-ATOM    642  N   ASN A  92      15.481   3.091   0.823  1.00 15.50           N  
-ATOM    643  CA  ASN A  92      16.480   3.139   1.854  1.00 18.52           C  
-ATOM    644  C   ASN A  92      16.960   1.736   2.160  1.00 16.96           C  
-ATOM    645  O   ASN A  92      16.172   0.806   2.237  1.00 19.37           O  
-ATOM    646  CB  ASN A  92      15.909   3.750   3.146  1.00 24.03           C  
-ATOM    647  CG  ASN A  92      15.496   5.201   2.989  1.00 31.50           C  
-ATOM    648  OD1 ASN A  92      16.192   5.993   2.346  1.00 33.19           O  
-ATOM    649  ND2 ASN A  92      14.359   5.561   3.588  1.00 30.69           N  
-ATOM    650  N   CYS A  93      18.266   1.599   2.356  1.00 16.34           N  
-ATOM    651  CA  CYS A  93      18.863   0.355   2.847  1.00 17.29           C  
-ATOM    652  C   CYS A  93      18.994   0.475   4.337  1.00 19.32           C  
-ATOM    653  O   CYS A  93      19.615   1.425   4.846  1.00 19.95           O  
-ATOM    654  CB  CYS A  93      20.233   0.118   2.224  1.00 18.23           C  
-ATOM    655  SG  CYS A  93      21.091  -1.377   2.770  1.00 21.62           S  
-ATOM    656  N   THR A  94      18.373  -0.487   5.027  1.00 24.32           N  
-ATOM    657  CA  THR A  94      18.424  -0.601   6.485  1.00 24.52           C  
-ATOM    658  C   THR A  94      19.030  -1.959   6.870  1.00 27.84           C  
-ATOM    659  O   THR A  94      19.165  -2.851   6.013  1.00 28.93           O  
-ATOM    660  CB  THR A  94      17.000  -0.576   7.079  1.00 25.68           C  
-ATOM    661  OG1 THR A  94      16.270  -1.714   6.579  1.00 24.22           O  
-ATOM    662  CG2 THR A  94      16.271   0.738   6.715  1.00 22.27           C  
-ATOM    663  N   SER A  95      19.329  -2.146   8.161  1.00 24.96           N  
-ATOM    664  CA  SER A  95      19.857  -3.429   8.619  1.00 26.62           C  
-ATOM    665  C   SER A  95      18.836  -4.584   8.532  1.00 28.79           C  
-ATOM    666  O   SER A  95      19.173  -5.715   8.872  1.00 34.02           O  
-ATOM    667  CB  SER A  95      20.423  -3.308  10.040  1.00 30.14           C  
-ATOM    668  OG  SER A  95      19.480  -2.733  10.927  1.00 35.21           O  
-ATOM    669  N   ASP A  96      17.601  -4.298   8.104  1.00 27.96           N  
-ATOM    670  CA  ASP A  96      16.592  -5.334   7.797  1.00 29.94           C  
-ATOM    671  C   ASP A  96      16.461  -5.590   6.311  1.00 32.37           C  
-ATOM    672  O   ASP A  96      15.709  -6.480   5.896  1.00 37.12           O  
-ATOM    673  CB  ASP A  96      15.211  -4.924   8.307  1.00 32.82           C  
-ATOM    674  CG  ASP A  96      14.958  -5.388   9.702  1.00 36.83           C  
-ATOM    675  OD1 ASP A  96      14.967  -6.615   9.921  1.00 55.04           O  
-ATOM    676  OD2 ASP A  96      14.751  -4.530  10.578  1.00 39.08           O  
-ATOM    677  N   GLY A  97      17.173  -4.805   5.506  1.00 27.08           N  
-ATOM    678  CA  GLY A  97      17.074  -4.913   4.053  1.00 22.91           C  
-ATOM    679  C   GLY A  97      16.516  -3.642   3.446  1.00 20.08           C  
-ATOM    680  O   GLY A  97      16.459  -2.591   4.102  1.00 25.38           O  
-ATOM    681  N   TRP A  98      16.089  -3.770   2.192  1.00 16.71           N  
-ATOM    682  CA  TRP A  98      15.563  -2.673   1.381  1.00 15.75           C  
-ATOM    683  C   TRP A  98      14.194  -2.277   1.866  1.00 15.09           C  
-ATOM    684  O   TRP A  98      13.416  -3.142   2.234  1.00 18.57           O  
-ATOM    685  CB  TRP A  98      15.423  -3.130  -0.055  1.00 12.95           C  
-ATOM    686  CG  TRP A  98      16.683  -3.188  -0.851  1.00 17.75           C  
-ATOM    687  CD1 TRP A  98      17.262  -4.299  -1.381  1.00 14.30           C  
-ATOM    688  CD2 TRP A  98      17.471  -2.090  -1.271  1.00 13.45           C  
-ATOM    689  NE1 TRP A  98      18.373  -3.960  -2.079  1.00 19.48           N  
-ATOM    690  CE2 TRP A  98      18.521  -2.604  -2.027  1.00  8.72           C  
-ATOM    691  CE3 TRP A  98      17.398  -0.719  -1.062  1.00 16.60           C  
-ATOM    692  CZ2 TRP A  98      19.497  -1.796  -2.588  1.00 16.75           C  
-ATOM    693  CZ3 TRP A  98      18.363   0.082  -1.600  1.00 21.12           C  
-ATOM    694  CH2 TRP A  98      19.399  -0.454  -2.367  1.00 23.06           C  
-ATOM    695  N   SER A  99      13.907  -0.976   1.849  1.00 20.43           N  
-ATOM    696  CA  SER A  99      12.580  -0.454   2.128  1.00 18.38           C  
-ATOM    697  C   SER A  99      11.742  -0.615   0.877  1.00 16.11           C  
-ATOM    698  O   SER A  99      12.245  -0.912  -0.177  1.00 18.26           O  
-ATOM    699  CB  SER A  99      12.639   1.035   2.472  1.00 20.74           C  
-ATOM    700  OG  SER A  99      12.898   1.811   1.312  1.00 19.91           O  
-ATOM    701  N   GLU A 100      10.449  -0.398   1.032  1.00 11.54           N  
-ATOM    702  CA  GLU A 100       9.528  -0.241  -0.063  1.00 14.19           C  
-ATOM    703  C   GLU A 100       9.942   1.028  -0.826  1.00 14.02           C  
-ATOM    704  O   GLU A 100      10.562   1.936  -0.262  1.00 14.02           O  
-ATOM    705  CB  GLU A 100       8.085  -0.132   0.487  1.00 17.38           C  
-ATOM    706  CG  GLU A 100       7.479  -1.428   1.032  1.00 41.88           C  
-ATOM    707  CD  GLU A 100       7.578  -2.602   0.077  1.00 55.44           C  
-ATOM    708  OE1 GLU A 100       7.127  -2.475  -1.088  1.00 66.69           O  
-ATOM    709  OE2 GLU A 100       8.107  -3.655   0.500  1.00 67.58           O  
-ATOM    710  N   THR A 101       9.590   1.096  -2.099  1.00 14.13           N  
-ATOM    711  CA  THR A 101       9.909   2.259  -2.902  1.00 11.55           C  
-ATOM    712  C   THR A 101       9.079   3.428  -2.406  1.00 15.57           C  
-ATOM    713  O   THR A 101       7.919   3.245  -2.102  1.00 15.84           O  
-ATOM    714  CB  THR A 101       9.649   1.969  -4.374  1.00 12.54           C  
-ATOM    715  OG1 THR A 101      10.480   0.850  -4.756  1.00 12.59           O  
-ATOM    716  CG2 THR A 101       9.998   3.181  -5.253  1.00 10.78           C  
-ATOM    717  N   PHE A 102       9.673   4.616  -2.313  1.00 16.15           N  
-ATOM    718  CA  PHE A 102       8.918   5.815  -1.954  1.00 17.65           C  
-ATOM    719  C   PHE A 102       9.268   7.021  -2.843  1.00 19.29           C  
-ATOM    720  O   PHE A 102      10.408   7.157  -3.288  1.00 18.47           O  
-ATOM    721  CB  PHE A 102       9.104   6.151  -0.474  1.00 17.36           C  
-ATOM    722  CG  PHE A 102      10.504   6.515  -0.092  1.00 17.23           C  
-ATOM    723  CD1 PHE A 102      11.395   5.544   0.277  1.00 16.30           C  
-ATOM    724  CD2 PHE A 102      10.918   7.836  -0.083  1.00 22.94           C  
-ATOM    725  CE1 PHE A 102      12.682   5.866   0.633  1.00 15.42           C  
-ATOM    726  CE2 PHE A 102      12.201   8.172   0.279  1.00 21.45           C  
-ATOM    727  CZ  PHE A 102      13.090   7.186   0.631  1.00 25.17           C  
-ATOM    728  N   PRO A 103       8.268   7.860  -3.159  1.00 17.51           N  
-ATOM    729  CA  PRO A 103       6.873   7.570  -2.967  1.00 12.59           C  
-ATOM    730  C   PRO A 103       6.540   6.406  -3.880  1.00 14.81           C  
-ATOM    731  O   PRO A 103       7.387   5.989  -4.693  1.00 18.13           O  
-ATOM    732  CB  PRO A 103       6.174   8.835  -3.452  1.00 13.66           C  
-ATOM    733  CG  PRO A 103       7.222   9.851  -3.513  1.00 22.73           C  
-ATOM    734  CD  PRO A 103       8.460   9.148  -3.830  1.00 18.72           C  
-ATOM    735  N   ASP A 104       5.337   5.872  -3.771  1.00 16.93           N  
-ATOM    736  CA  ASP A 104       4.965   4.743  -4.610  1.00 19.37           C  
-ATOM    737  C   ASP A 104       5.044   5.171  -6.037  1.00 21.65           C  
-ATOM    738  O   ASP A 104       4.913   6.351  -6.331  1.00 22.62           O  
-ATOM    739  CB  ASP A 104       3.573   4.218  -4.268  1.00 18.77           C  
-ATOM    740  CG  ASP A 104       2.514   5.283  -4.362  1.00 24.25           C  
-ATOM    741  OD1 ASP A 104       2.239   5.966  -3.318  1.00 29.78           O  
-ATOM    742  OD2 ASP A 104       1.973   5.462  -5.481  1.00 26.74           O  
-ATOM    743  N   PHE A 105       5.306   4.206  -6.908  1.00 23.34           N  
-ATOM    744  CA  PHE A 105       5.528   4.439  -8.327  1.00 24.26           C  
-ATOM    745  C   PHE A 105       4.463   5.359  -8.961  1.00 26.59           C  
-ATOM    746  O   PHE A 105       4.776   6.307  -9.666  1.00 29.65           O  
-ATOM    747  CB  PHE A 105       5.579   3.076  -9.045  1.00 29.27           C  
-ATOM    748  CG  PHE A 105       5.598   3.181 -10.540  1.00 23.25           C  
-ATOM    749  CD1 PHE A 105       6.781   3.288 -11.221  1.00 33.61           C  
-ATOM    750  CD2 PHE A 105       4.417   3.185 -11.253  1.00 26.38           C  
-ATOM    751  CE1 PHE A 105       6.783   3.413 -12.561  1.00 34.90           C  
-ATOM    752  CE2 PHE A 105       4.427   3.299 -12.611  1.00 28.05           C  
-ATOM    753  CZ  PHE A 105       5.604   3.424 -13.259  1.00 29.49           C  
-ATOM    754  N   VAL A 106       3.198   5.075  -8.702  1.00 22.83           N  
-ATOM    755  CA  VAL A 106       2.111   5.811  -9.341  1.00 22.44           C  
-ATOM    756  C   VAL A 106       2.114   7.282  -8.937  1.00 25.49           C  
-ATOM    757  O   VAL A 106       1.894   8.171  -9.770  1.00 31.24           O  
-ATOM    758  CB  VAL A 106       0.760   5.191  -8.960  1.00 27.66           C  
-ATOM    759  CG1 VAL A 106      -0.395   6.145  -9.288  1.00 31.84           C  
-ATOM    760  CG2 VAL A 106       0.601   3.829  -9.647  1.00 29.66           C  
-ATOM    761  N   ASP A 107       2.361   7.534  -7.658  1.00 23.03           N  
-ATOM    762  CA  ASP A 107       2.420   8.887  -7.137  1.00 21.46           C  
-ATOM    763  C   ASP A 107       3.733   9.605  -7.492  1.00 28.07           C  
-ATOM    764  O   ASP A 107       3.719  10.781  -7.855  1.00 29.28           O  
-ATOM    765  CB  ASP A 107       2.253   8.865  -5.616  1.00 21.17           C  
-ATOM    766  CG  ASP A 107       0.820   8.544  -5.188  1.00 32.14           C  
-ATOM    767  OD1 ASP A 107      -0.102   9.223  -5.696  1.00 37.98           O  
-ATOM    768  OD2 ASP A 107       0.607   7.632  -4.345  1.00 33.65           O  
-ATOM    769  N   ALA A 108       4.855   8.898  -7.377  1.00 25.26           N  
-ATOM    770  CA  ALA A 108       6.177   9.488  -7.561  1.00 25.39           C  
-ATOM    771  C   ALA A 108       6.331   9.957  -8.982  1.00 27.43           C  
-ATOM    772  O   ALA A 108       6.932  11.002  -9.266  1.00 37.00           O  
-ATOM    773  CB  ALA A 108       7.247   8.479  -7.251  1.00 18.76           C  
-ATOM    774  N   CYS A 109       5.764   9.167  -9.878  1.00 29.45           N  
-ATOM    775  CA  CYS A 109       5.980   9.341 -11.298  1.00 29.88           C  
-ATOM    776  C   CYS A 109       4.844  10.102 -12.000  1.00 36.79           C  
-ATOM    777  O   CYS A 109       5.006  10.529 -13.156  1.00 42.25           O  
-ATOM    778  CB  CYS A 109       6.205   7.968 -11.926  1.00 29.43           C  
-ATOM    779  SG  CYS A 109       7.589   7.069 -11.160  1.00 30.85           S  
-ATOM    780  N   GLY A 110       3.720  10.300 -11.310  1.00 37.77           N  
-ATOM    781  CA  GLY A 110       2.542  10.927 -11.916  1.00 32.57           C  
-ATOM    782  C   GLY A 110       1.983  10.103 -13.070  1.00 34.06           C  
-ATOM    783  O   GLY A 110       1.609  10.653 -14.120  1.00 33.38           O  
-ATOM    784  N   TYR A 111       1.942   8.782 -12.873  1.00 30.19           N  
-ATOM    785  CA  TYR A 111       1.510   7.841 -13.910  1.00 32.02           C  
-ATOM    786  C   TYR A 111      -0.012   7.738 -14.032  1.00 34.84           C  
-ATOM    787  O   TYR A 111      -0.695   7.586 -13.033  1.00 37.12           O  
-ATOM    788  CB  TYR A 111       2.080   6.435 -13.633  1.00 31.66           C  
-ATOM    789  CG  TYR A 111       1.603   5.404 -14.632  1.00 31.73           C  
-ATOM    790  CD1 TYR A 111       2.304   5.168 -15.801  1.00 38.27           C  
-ATOM    791  CD2 TYR A 111       0.432   4.688 -14.420  1.00 40.15           C  
-ATOM    792  CE1 TYR A 111       1.855   4.235 -16.733  1.00 32.15           C  
-ATOM    793  CE2 TYR A 111      -0.017   3.748 -15.341  1.00 40.52           C  
-ATOM    794  CZ  TYR A 111       0.698   3.531 -16.492  1.00 34.36           C  
-ATOM    795  OH  TYR A 111       0.266   2.611 -17.420  1.00 42.86           O  
-ATOM    796  N   SER A 112      -0.530   7.791 -15.263  1.00 46.18           N  
-ATOM    797  CA  SER A 112      -1.930   7.407 -15.546  1.00 52.11           C  
-ATOM    798  C   SER A 112      -2.158   6.972 -17.014  1.00 57.20           C  
-ATOM    799  O   SER A 112      -1.412   7.370 -17.924  1.00 53.66           O  
-ATOM    800  CB  SER A 112      -2.901   8.539 -15.173  1.00 54.44           C  
-ATOM    801  OG  SER A 112      -2.757   9.658 -16.032  1.00 51.69           O  
-ATOM    802  N   ASP A 113      -3.195   6.162 -17.234  1.00 62.93           N  
-ATOM    803  CA  ASP A 113      -3.557   5.721 -18.581  1.00 69.88           C  
-ATOM    804  C   ASP A 113      -5.005   6.051 -18.918  1.00 73.22           C  
-ATOM    805  O   ASP A 113      -5.894   5.752 -18.132  1.00 76.80           O  
-ATOM    806  CB  ASP A 113      -3.348   4.216 -18.708  1.00 73.22           C  
-ATOM    807  CG  ASP A 113      -3.493   3.732 -20.136  1.00 74.13           C  
-ATOM    808  OD1 ASP A 113      -4.598   3.868 -20.705  1.00 77.57           O  
-ATOM    809  OD2 ASP A 113      -2.499   3.218 -20.688  1.00 80.31           O  
-ATOM    810  N   PRO A 114      -5.255   6.641 -20.103  1.00 80.13           N  
-ATOM    811  CA  PRO A 114      -6.643   6.981 -20.472  1.00 81.33           C  
-ATOM    812  C   PRO A 114      -7.490   5.755 -20.821  1.00 80.09           C  
-ATOM    813  O   PRO A 114      -8.342   5.352 -20.029  1.00 76.08           O  
-ATOM    814  CB  PRO A 114      -6.476   7.886 -21.699  1.00 81.85           C  
-ATOM    815  CG  PRO A 114      -5.167   7.480 -22.300  1.00 83.68           C  
-ATOM    816  CD  PRO A 114      -4.290   7.008 -21.162  1.00 80.62           C  

Deleted: SwiftApps/modFTDock/input/2yx8-1.pdb
===================================================================
--- SwiftApps/modFTDock/input/2yx8-1.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/2yx8-1.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,650 +0,0 @@
-ATOM      1  N   CYS A  27      34.939   8.141  26.097  1.00 61.68           N  
-ATOM      2  CA  CYS A  27      34.305   6.810  26.338  1.00 61.01           C  
-ATOM      3  C   CYS A  27      33.741   6.231  25.060  1.00 63.98           C  
-ATOM      4  O   CYS A  27      33.961   6.755  23.970  1.00 63.63           O  
-ATOM      5  CB  CYS A  27      33.143   6.934  27.318  1.00 56.61           C  
-ATOM      6  SG  CYS A  27      31.731   7.869  26.631  1.00 47.29           S  
-ATOM      7  N   GLN A  28      32.991   5.146  25.218  1.00 68.75           N  
-ATOM      8  CA  GLN A  28      32.334   4.496  24.093  1.00 73.22           C  
-ATOM      9  C   GLN A  28      31.154   5.416  23.768  1.00 73.73           C  
-ATOM     10  O   GLN A  28      29.987   5.038  23.890  1.00 74.54           O  
-ATOM     11  CB  GLN A  28      31.838   3.108  24.503  1.00 76.68           C  
-ATOM     12  CG  GLN A  28      32.920   2.234  25.123  1.00 81.48           C  
-ATOM     13  CD  GLN A  28      32.964   0.839  24.522  1.00 83.09           C  
-ATOM     14  OE1 GLN A  28      33.062   0.683  23.303  1.00 82.96           O  
-ATOM     15  NE2 GLN A  28      32.899  -0.182  25.375  1.00 82.87           N  
-ATOM     16  N   GLU A  29      31.495   6.635  23.364  1.00 73.82           N  
-ATOM     17  CA  GLU A  29      30.542   7.687  23.040  1.00 74.65           C  
-ATOM     18  C   GLU A  29      29.297   7.293  22.246  1.00 73.55           C  
-ATOM     19  O   GLU A  29      28.207   7.799  22.514  1.00 73.38           O  
-ATOM     20  CB  GLU A  29      31.287   8.820  22.329  1.00 78.09           C  
-ATOM     21  CG  GLU A  29      32.308   9.529  23.224  1.00 83.97           C  
-ATOM     22  CD  GLU A  29      33.163  10.541  22.473  1.00 86.41           C  
-ATOM     23  OE1 GLU A  29      32.589  11.398  21.769  1.00 88.80           O  
-ATOM     24  OE2 GLU A  29      34.407  10.485  22.591  1.00 87.12           O  
-ATOM     25  N   ALA A  30      29.446   6.399  21.275  1.00 72.70           N  
-ATOM     26  CA  ALA A  30      28.304   5.975  20.464  1.00 69.70           C  
-ATOM     27  C   ALA A  30      27.272   5.200  21.278  1.00 66.91           C  
-ATOM     28  O   ALA A  30      26.109   5.609  21.376  1.00 67.16           O  
-ATOM     29  CB  ALA A  30      28.779   5.120  19.294  1.00 72.24           C  
-ATOM     30  N   ASN A  31      27.706   4.077  21.850  1.00 62.40           N  
-ATOM     31  CA  ASN A  31      26.826   3.225  22.638  1.00 58.76           C  
-ATOM     32  C   ASN A  31      26.400   3.890  23.938  1.00 54.31           C  
-ATOM     33  O   ASN A  31      25.533   3.387  24.647  1.00 53.67           O  
-ATOM     34  CB  ASN A  31      27.498   1.871  22.908  1.00 62.27           C  
-ATOM     35  CG  ASN A  31      28.342   1.867  24.167  1.00 65.87           C  
-ATOM     36  OD1 ASN A  31      29.248   2.679  24.316  1.00 66.87           O  
-ATOM     37  ND2 ASN A  31      28.048   0.938  25.081  1.00 65.53           N  
-ATOM     38  N   TYR A  32      27.019   5.019  24.257  1.00 48.72           N  
-ATOM     39  CA  TYR A  32      26.645   5.753  25.454  1.00 43.67           C  
-ATOM     40  C   TYR A  32      25.280   6.377  25.157  1.00 43.16           C  
-ATOM     41  O   TYR A  32      24.404   6.439  26.021  1.00 42.14           O  
-ATOM     42  CB  TYR A  32      27.672   6.847  25.766  1.00 38.47           C  
-ATOM     43  CG  TYR A  32      27.198   7.842  26.800  1.00 35.36           C  
-ATOM     44  CD1 TYR A  32      26.894   7.436  28.099  1.00 34.21           C  
-ATOM     45  CD2 TYR A  32      27.031   9.188  26.475  1.00 31.93           C  
-ATOM     46  CE1 TYR A  32      26.436   8.340  29.050  1.00 30.55           C  
-ATOM     47  CE2 TYR A  32      26.569  10.103  27.425  1.00 31.91           C  
-ATOM     48  CZ  TYR A  32      26.277   9.668  28.709  1.00 31.49           C  
-ATOM     49  OH  TYR A  32      25.840  10.559  29.662  1.00 35.30           O  
-ATOM     50  N   GLY A  33      25.110   6.827  23.917  1.00 43.03           N  
-ATOM     51  CA  GLY A  33      23.855   7.428  23.503  1.00 42.48           C  
-ATOM     52  C   GLY A  33      22.719   6.422  23.438  1.00 40.90           C  
-ATOM     53  O   GLY A  33      21.588   6.726  23.812  1.00 40.66           O  
-ATOM     54  N   ALA A  34      23.012   5.220  22.958  1.00 40.45           N  
-ATOM     55  CA  ALA A  34      21.994   4.180  22.871  1.00 40.50           C  
-ATOM     56  C   ALA A  34      21.534   3.866  24.291  1.00 39.69           C  
-ATOM     57  O   ALA A  34      20.335   3.799  24.584  1.00 39.44           O  
-ATOM     58  CB  ALA A  34      22.575   2.933  22.219  1.00 39.00           C  
-ATOM     59  N   LEU A  35      22.517   3.694  25.167  1.00 38.14           N  
-ATOM     60  CA  LEU A  35      22.297   3.382  26.570  1.00 37.24           C  
-ATOM     61  C   LEU A  35      21.422   4.441  27.246  1.00 37.18           C  
-ATOM     62  O   LEU A  35      20.601   4.128  28.108  1.00 38.96           O  
-ATOM     63  CB  LEU A  35      23.654   3.287  27.267  1.00 35.44           C  
-ATOM     64  CG  LEU A  35      23.757   2.487  28.560  1.00 39.69           C  
-ATOM     65  CD1 LEU A  35      23.143   1.101  28.370  1.00 39.38           C  
-ATOM     66  CD2 LEU A  35      25.225   2.374  28.954  1.00 39.30           C  
-ATOM     67  N   LEU A  36      21.598   5.694  26.842  1.00 36.41           N  
-ATOM     68  CA  LEU A  36      20.832   6.803  27.398  1.00 33.78           C  
-ATOM     69  C   LEU A  36      19.352   6.706  27.052  1.00 33.47           C  
-ATOM     70  O   LEU A  36      18.500   7.067  27.852  1.00 33.79           O  
-ATOM     71  CB  LEU A  36      21.392   8.131  26.872  1.00 32.30           C  
-ATOM     72  CG  LEU A  36      22.130   9.090  27.814  1.00 30.60           C  
-ATOM     73  CD1 LEU A  36      22.969   8.328  28.830  1.00 30.80           C  
-ATOM     74  CD2 LEU A  36      22.993  10.024  26.973  1.00 29.11           C  
-ATOM     75  N   ARG A  37      19.041   6.220  25.858  1.00 35.38           N  
-ATOM     76  CA  ARG A  37      17.649   6.121  25.444  1.00 39.37           C  
-ATOM     77  C   ARG A  37      17.044   4.792  25.866  1.00 40.04           C  
-ATOM     78  O   ARG A  37      15.900   4.732  26.323  1.00 40.22           O  
-ATOM     79  CB  ARG A  37      17.537   6.301  23.923  1.00 39.85           C  
-ATOM     80  CG  ARG A  37      18.256   7.550  23.418  1.00 46.81           C  
-ATOM     81  CD  ARG A  37      17.998   7.868  21.948  1.00 50.83           C  
-ATOM     82  NE  ARG A  37      16.738   8.579  21.724  1.00 55.62           N  
-ATOM     83  CZ  ARG A  37      15.542   7.997  21.661  1.00 57.85           C  
-ATOM     84  NH1 ARG A  37      15.433   6.682  21.803  1.00 58.33           N  
-ATOM     85  NH2 ARG A  37      14.453   8.727  21.450  1.00 57.99           N  
-ATOM     86  N   GLU A  38      17.829   3.732  25.727  1.00 39.83           N  
-ATOM     87  CA  GLU A  38      17.382   2.393  26.069  1.00 41.11           C  
-ATOM     88  C   GLU A  38      17.141   2.190  27.555  1.00 40.95           C  
-ATOM     89  O   GLU A  38      16.219   1.472  27.949  1.00 41.87           O  
-ATOM     90  CB  GLU A  38      18.403   1.373  25.569  1.00 43.11           C  
-ATOM     91  CG  GLU A  38      18.331   1.107  24.070  1.00 46.93           C  
-ATOM     92  CD  GLU A  38      19.643   0.588  23.514  1.00 51.67           C  
-ATOM     93  OE1 GLU A  38      20.427  -0.005  24.293  1.00 53.31           O  
-ATOM     94  OE2 GLU A  38      19.888   0.766  22.300  1.00 52.27           O  
-ATOM     95  N   LEU A  39      17.957   2.833  28.380  1.00 39.81           N  
-ATOM     96  CA  LEU A  39      17.839   2.682  29.820  1.00 38.54           C  
-ATOM     97  C   LEU A  39      17.211   3.883  30.522  1.00 38.53           C  
-ATOM     98  O   LEU A  39      16.128   3.783  31.090  1.00 40.83           O  
-ATOM     99  CB  LEU A  39      19.221   2.415  30.409  1.00 38.80           C  
-ATOM    100  CG  LEU A  39      19.384   1.401  31.545  1.00 41.69           C  
-ATOM    101  CD1 LEU A  39      20.149   2.081  32.666  1.00 40.25           C  
-ATOM    102  CD2 LEU A  39      18.034   0.874  32.033  1.00 40.09           C  
-ATOM    103  N   CYS A  40      17.895   5.019  30.476  1.00 37.31           N  
-ATOM    104  CA  CYS A  40      17.426   6.236  31.131  1.00 36.07           C  
-ATOM    105  C   CYS A  40      16.124   6.828  30.600  1.00 35.46           C  
-ATOM    106  O   CYS A  40      15.206   7.106  31.366  1.00 34.28           O  
-ATOM    107  CB  CYS A  40      18.507   7.312  31.053  1.00 35.54           C  
-ATOM    108  SG  CYS A  40      20.105   6.835  31.775  1.00 37.77           S  
-ATOM    109  N   LEU A  41      16.055   7.034  29.290  1.00 34.46           N  
-ATOM    110  CA  LEU A  41      14.878   7.633  28.672  1.00 33.90           C  
-ATOM    111  C   LEU A  41      13.609   6.814  28.866  1.00 34.43           C  
-ATOM    112  O   LEU A  41      12.554   7.362  29.187  1.00 33.76           O  
-ATOM    113  CB  LEU A  41      15.128   7.864  27.174  1.00 31.47           C  
-ATOM    114  CG  LEU A  41      14.047   8.641  26.416  1.00 29.03           C  
-ATOM    115  CD1 LEU A  41      13.811   9.975  27.102  1.00 28.18           C  
-ATOM    116  CD2 LEU A  41      14.468   8.850  24.969  1.00 26.16           C  
-ATOM    117  N   THR A  42      13.714   5.503  28.677  1.00 35.03           N  
-ATOM    118  CA  THR A  42      12.563   4.618  28.821  1.00 36.27           C  
-ATOM    119  C   THR A  42      11.867   4.743  30.183  1.00 38.01           C  
-ATOM    120  O   THR A  42      10.633   4.854  30.254  1.00 37.47           O  
-ATOM    121  CB  THR A  42      12.972   3.153  28.593  1.00 35.39           C  
-ATOM    122  OG1 THR A  42      14.069   2.824  29.453  1.00 36.57           O  
-ATOM    123  CG2 THR A  42      13.384   2.940  27.146  1.00 33.96           C  
-ATOM    124  N   GLN A  43      12.655   4.733  31.257  1.00 36.57           N  
-ATOM    125  CA  GLN A  43      12.102   4.843  32.598  1.00 36.73           C  
-ATOM    126  C   GLN A  43      11.420   6.188  32.799  1.00 36.00           C  
-ATOM    127  O   GLN A  43      10.355   6.276  33.414  1.00 34.91           O  
-ATOM    128  CB  GLN A  43      13.206   4.665  33.639  1.00 40.23           C  
-ATOM    129  CG  GLN A  43      12.745   4.895  35.081  1.00 47.46           C  
-ATOM    130  CD  GLN A  43      11.503   4.100  35.438  1.00 49.65           C  
-ATOM    131  OE1 GLN A  43      11.472   2.880  35.289  1.00 53.05           O  
-ATOM    132  NE2 GLN A  43      10.472   4.791  35.916  1.00 50.49           N  
-ATOM    133  N   PHE A  44      12.049   7.235  32.276  1.00 34.72           N  
-ATOM    134  CA  PHE A  44      11.527   8.592  32.380  1.00 33.08           C  
-ATOM    135  C   PHE A  44      10.185   8.716  31.641  1.00 34.45           C  
-ATOM    136  O   PHE A  44       9.305   9.483  32.049  1.00 32.48           O  
-ATOM    137  CB  PHE A  44      12.556   9.564  31.792  1.00 27.88           C  
-ATOM    138  CG  PHE A  44      12.077  10.986  31.693  1.00 24.19           C  
-ATOM    139  CD1 PHE A  44      11.945  11.775  32.833  1.00 24.60           C  
-ATOM    140  CD2 PHE A  44      11.772  11.540  30.453  1.00 20.52           C  
-ATOM    141  CE1 PHE A  44      11.524  13.099  32.738  1.00 22.21           C  
-ATOM    142  CE2 PHE A  44      11.349  12.863  30.344  1.00 20.25           C  
-ATOM    143  CZ  PHE A  44      11.224  13.644  31.489  1.00 23.05           C  
-ATOM    144  N   GLN A  45      10.038   7.951  30.560  1.00 34.96           N  
-ATOM    145  CA  GLN A  45       8.821   7.970  29.751  1.00 37.01           C  
-ATOM    146  C   GLN A  45       7.637   7.338  30.471  1.00 36.53           C  
-ATOM    147  O   GLN A  45       6.513   7.822  30.368  1.00 34.44           O  
-ATOM    148  CB  GLN A  45       9.064   7.264  28.413  1.00 34.39           C  
-ATOM    149  CG  GLN A  45      10.175   7.904  27.612  1.00 35.11           C  
-ATOM    150  CD  GLN A  45      10.335   7.300  26.235  1.00 36.30           C  
-ATOM    151  OE1 GLN A  45      10.399   6.085  26.082  1.00 37.87           O  
-ATOM    152  NE2 GLN A  45      10.416   8.154  25.222  1.00 36.47           N  
-ATOM    153  N   VAL A  46       7.889   6.252  31.191  1.00 39.79           N  
-ATOM    154  CA  VAL A  46       6.824   5.600  31.938  1.00 42.19           C  
-ATOM    155  C   VAL A  46       6.309   6.580  32.989  1.00 43.86           C  
-ATOM    156  O   VAL A  46       5.112   6.859  33.056  1.00 44.77           O  
-ATOM    157  CB  VAL A  46       7.328   4.331  32.639  1.00 42.37           C  
-ATOM    158  CG1 VAL A  46       6.258   3.799  33.578  1.00 43.37           C  
-ATOM    159  CG2 VAL A  46       7.688   3.281  31.603  1.00 41.25           C  
-ATOM    160  N   ASP A  47       7.218   7.107  33.803  1.00 45.11           N  
-ATOM    161  CA  ASP A  47       6.831   8.060  34.832  1.00 46.09           C  
-ATOM    162  C   ASP A  47       6.089   9.233  34.196  1.00 45.89           C  
-ATOM    163  O   ASP A  47       5.001   9.600  34.633  1.00 47.38           O  
-ATOM    164  CB  ASP A  47       8.059   8.592  35.581  1.00 49.41           C  
-ATOM    165  CG  ASP A  47       8.942   7.485  36.127  1.00 51.81           C  
-ATOM    166  OD1 ASP A  47       8.414   6.546  36.757  1.00 54.40           O  
-ATOM    167  OD2 ASP A  47      10.174   7.560  35.935  1.00 54.62           O  
-ATOM    176  N   GLU A  49       4.548   9.390  31.429  1.00 45.27           N  
-ATOM    177  CA  GLU A  49       3.299   8.935  30.844  1.00 45.20           C  
-ATOM    178  C   GLU A  49       2.228   8.940  31.925  1.00 43.31           C  
-ATOM    179  O   GLU A  49       1.090   9.334  31.683  1.00 43.03           O  
-ATOM    180  CB  GLU A  49       3.474   7.525  30.281  1.00 49.20           C  
-ATOM    181  CG  GLU A  49       2.377   7.071  29.342  1.00 55.98           C  
-ATOM    182  CD  GLU A  49       2.212   8.001  28.151  1.00 61.73           C  
-ATOM    183  OE1 GLU A  49       3.239   8.387  27.549  1.00 62.44           O  
-ATOM    184  OE2 GLU A  49       1.054   8.341  27.814  1.00 65.19           O  
-ATOM    185  N   ALA A  50       2.607   8.518  33.126  1.00 40.78           N  
-ATOM    186  CA  ALA A  50       1.679   8.467  34.250  1.00 39.72           C  
-ATOM    187  C   ALA A  50       1.234   9.855  34.733  1.00 39.94           C  
-ATOM    188  O   ALA A  50       0.140  10.010  35.277  1.00 39.98           O  
-ATOM    189  CB  ALA A  50       2.310   7.698  35.394  1.00 36.92           C  
-ATOM    190  N   VAL A  51       2.080  10.861  34.541  1.00 38.53           N  
-ATOM    191  CA  VAL A  51       1.750  12.215  34.972  1.00 37.20           C  
-ATOM    192  C   VAL A  51       0.674  12.863  34.096  1.00 36.15           C  
-ATOM    193  O   VAL A  51      -0.322  13.383  34.602  1.00 36.87           O  
-ATOM    194  CB  VAL A  51       3.010  13.113  34.970  1.00 37.12           C  
-ATOM    195  CG1 VAL A  51       2.634  14.568  35.194  1.00 32.68           C  
-ATOM    196  CG2 VAL A  51       3.968  12.646  36.048  1.00 36.59           C  
-ATOM    197  N   GLY A  52       0.883  12.822  32.785  1.00 35.75           N  
-ATOM    198  CA  GLY A  52      -0.058  13.421  31.859  1.00 33.78           C  
-ATOM    199  C   GLY A  52       0.644  14.533  31.104  1.00 34.05           C  
-ATOM    200  O   GLY A  52       1.218  15.433  31.713  1.00 35.56           O  
-ATOM    201  N   GLU A  53       0.591  14.491  29.779  1.00 34.55           N  
-ATOM    202  CA  GLU A  53       1.259  15.498  28.973  1.00 34.19           C  
-ATOM    203  C   GLU A  53       0.996  16.938  29.384  1.00 34.36           C  
-ATOM    204  O   GLU A  53       1.932  17.724  29.518  1.00 35.03           O  
-ATOM    205  CB  GLU A  53       0.900  15.326  27.505  1.00 36.39           C  
-ATOM    206  CG  GLU A  53       1.625  16.316  26.624  1.00 42.76           C  
-ATOM    207  CD  GLU A  53       1.746  15.851  25.194  1.00 45.62           C  
-ATOM    208  OE1 GLU A  53       1.892  14.629  24.976  1.00 46.36           O  
-ATOM    209  OE2 GLU A  53       1.714  16.714  24.293  1.00 49.56           O  
-ATOM    210  N   THR A  54      -0.273  17.282  29.586  1.00 34.29           N  
-ATOM    211  CA  THR A  54      -0.656  18.643  29.963  1.00 30.40           C  
-ATOM    212  C   THR A  54      -0.251  19.063  31.376  1.00 30.04           C  
-ATOM    213  O   THR A  54      -0.488  20.202  31.777  1.00 31.95           O  
-ATOM    214  CB  THR A  54      -2.171  18.853  29.804  1.00 28.35           C  
-ATOM    215  OG1 THR A  54      -2.870  17.845  30.540  1.00 30.01           O  
-ATOM    216  CG2 THR A  54      -2.566  18.777  28.352  1.00 23.37           C  
-ATOM    217  N   LEU A  55       0.346  18.150  32.134  1.00 28.91           N  
-ATOM    218  CA  LEU A  55       0.799  18.475  33.483  1.00 28.23           C  
-ATOM    219  C   LEU A  55       2.331  18.333  33.597  1.00 29.07           C  
-ATOM    220  O   LEU A  55       2.891  18.400  34.693  1.00 29.10           O  
-ATOM    221  CB  LEU A  55       0.103  17.573  34.517  1.00 26.75           C  
-ATOM    222  CG  LEU A  55      -1.397  17.792  34.791  1.00 29.57           C  
-ATOM    223  CD1 LEU A  55      -1.863  16.825  35.886  1.00 29.23           C  
-ATOM    224  CD2 LEU A  55      -1.666  19.237  35.220  1.00 26.11           C  
-ATOM    225  N   TRP A  56       3.009  18.154  32.465  1.00 27.34           N  
-ATOM    226  CA  TRP A  56       4.460  17.994  32.475  1.00 26.32           C  
-ATOM    227  C   TRP A  56       5.227  19.235  32.919  1.00 26.75           C  
-ATOM    228  O   TRP A  56       6.362  19.137  33.387  1.00 28.13           O  
-ATOM    229  CB  TRP A  56       4.971  17.571  31.098  1.00 24.03           C  
-ATOM    230  CG  TRP A  56       4.667  16.155  30.730  1.00 23.65           C  
-ATOM    231  CD1 TRP A  56       4.307  15.141  31.573  1.00 22.47           C  
-ATOM    232  CD2 TRP A  56       4.747  15.581  29.419  1.00 23.84           C  
-ATOM    233  NE1 TRP A  56       4.161  13.968  30.867  1.00 25.19           N  
-ATOM    234  CE2 TRP A  56       4.427  14.209  29.544  1.00 21.95           C  
-ATOM    235  CE3 TRP A  56       5.064  16.091  28.151  1.00 24.10           C  
-ATOM    236  CZ2 TRP A  56       4.409  13.343  28.450  1.00 20.97           C  
-ATOM    237  CZ3 TRP A  56       5.047  15.229  27.061  1.00 22.85           C  
-ATOM    238  CH2 TRP A  56       4.723  13.867  27.220  1.00 22.20           C  
-ATOM    239  N   CYS A  57       4.612  20.401  32.766  1.00 26.22           N  
-ATOM    240  CA  CYS A  57       5.258  21.644  33.152  1.00 23.92           C  
-ATOM    241  C   CYS A  57       5.133  21.923  34.650  1.00 25.12           C  
-ATOM    242  O   CYS A  57       5.669  22.911  35.150  1.00 23.17           O  
-ATOM    243  CB  CYS A  57       4.679  22.803  32.342  1.00 21.59           C  
-ATOM    244  SG  CYS A  57       5.385  23.001  30.665  1.00 27.97           S  
-ATOM    245  N   ASP A  58       4.422  21.051  35.362  1.00 26.35           N  
-ATOM    246  CA  ASP A  58       4.251  21.201  36.805  1.00 27.93           C  
-ATOM    247  C   ASP A  58       5.391  20.470  37.500  1.00 28.05           C  
-ATOM    248  O   ASP A  58       5.324  19.258  37.719  1.00 27.70           O  
-ATOM    249  CB  ASP A  58       2.903  20.624  37.252  1.00 29.57           C  
-ATOM    250  CG  ASP A  58       2.694  20.722  38.754  1.00 30.94           C  
-ATOM    251  OD1 ASP A  58       3.232  21.667  39.365  1.00 33.12           O  
-ATOM    252  OD2 ASP A  58       1.981  19.866  39.328  1.00 34.06           O  
-ATOM    253  N   TRP A  59       6.436  21.221  37.837  1.00 28.53           N  
-ATOM    254  CA  TRP A  59       7.624  20.677  38.483  1.00 27.00           C  
-ATOM    255  C   TRP A  59       7.311  19.901  39.750  1.00 28.60           C  
-ATOM    256  O   TRP A  59       8.035  18.975  40.112  1.00 27.85           O  
-ATOM    257  CB  TRP A  59       8.608  21.808  38.770  1.00 26.34           C  
-ATOM    258  CG  TRP A  59       9.034  22.516  37.502  1.00 28.03           C  
-ATOM    259  CD1 TRP A  59       8.821  23.829  37.177  1.00 25.95           C  
-ATOM    260  CD2 TRP A  59       9.694  21.927  36.369  1.00 26.99           C  
-ATOM    261  NE1 TRP A  59       9.306  24.090  35.913  1.00 27.15           N  
-ATOM    262  CE2 TRP A  59       9.845  22.942  35.396  1.00 25.59           C  
-ATOM    263  CE3 TRP A  59      10.172  20.640  36.084  1.00 27.98           C  
-ATOM    264  CZ2 TRP A  59      10.451  22.709  34.159  1.00 27.19           C  
-ATOM    265  CZ3 TRP A  59      10.778  20.409  34.848  1.00 28.14           C  
-ATOM    266  CH2 TRP A  59      10.910  21.440  33.902  1.00 25.38           C  
-ATOM    267  N   GLY A  60       6.219  20.265  40.412  1.00 29.82           N  
-ATOM    268  CA  GLY A  60       5.840  19.570  41.625  1.00 30.33           C  
-ATOM    269  C   GLY A  60       5.484  18.128  41.327  1.00 30.98           C  
-ATOM    270  O   GLY A  60       5.463  17.284  42.216  1.00 33.06           O  
-ATOM    271  N   ARG A  61       5.210  17.842  40.062  1.00 30.98           N  
-ATOM    272  CA  ARG A  61       4.836  16.499  39.659  1.00 29.21           C  
-ATOM    273  C   ARG A  61       5.918  15.798  38.863  1.00 29.96           C  
-ATOM    274  O   ARG A  61       6.028  14.574  38.889  1.00 30.63           O  
-ATOM    275  CB  ARG A  61       3.563  16.555  38.824  1.00 27.92           C  
-ATOM    276  CG  ARG A  61       2.301  16.670  39.641  1.00 31.34           C  
-ATOM    277  CD  ARG A  61       1.095  16.880  38.749  1.00 34.94           C  
-ATOM    278  NE  ARG A  61      -0.152  16.712  39.486  1.00 37.13           N  
-ATOM    279  CZ  ARG A  61      -1.220  17.482  39.327  1.00 40.10           C  
-ATOM    280  NH1 ARG A  61      -1.191  18.481  38.458  1.00 45.27           N  
-ATOM    281  NH2 ARG A  61      -2.320  17.253  40.030  1.00 41.79           N  
-ATOM    282  N   THR A  62       6.734  16.582  38.176  1.00 29.91           N  
-ATOM    283  CA  THR A  62       7.771  16.022  37.326  1.00 29.48           C  
-ATOM    284  C   THR A  62       9.213  16.172  37.794  1.00 30.21           C  
-ATOM    285  O   THR A  62      10.107  15.569  37.197  1.00 30.91           O  
-ATOM    286  CB  THR A  62       7.664  16.624  35.917  1.00 27.97           C  
-ATOM    287  OG1 THR A  62       7.805  18.046  36.000  1.00 30.88           O  
-ATOM    288  CG2 THR A  62       6.309  16.313  35.311  1.00 27.25           C  
-ATOM    289  N   ILE A  63       9.450  16.945  38.853  1.00 30.42           N  
-ATOM    290  CA  ILE A  63      10.818  17.153  39.318  1.00 31.02           C  
-ATOM    291  C   ILE A  63      11.530  15.854  39.713  1.00 32.74           C  
-ATOM    292  O   ILE A  63      12.684  15.633  39.329  1.00 32.74           O  
-ATOM    293  CB  ILE A  63      10.883  18.199  40.474  1.00 30.76           C  
-ATOM    294  CG1 ILE A  63      12.302  18.758  40.568  1.00 32.80           C  
-ATOM    295  CG2 ILE A  63      10.479  17.589  41.804  1.00 30.03           C  
-ATOM    296  CD1 ILE A  63      12.770  19.436  39.277  1.00 33.15           C  
-ATOM    297  N   ARG A  64      10.844  14.986  40.449  1.00 32.60           N  
-ATOM    298  CA  ARG A  64      11.441  13.720  40.844  1.00 33.71           C  
-ATOM    299  C   ARG A  64      11.958  13.005  39.597  1.00 35.19           C  
-ATOM    300  O   ARG A  64      13.125  12.615  39.525  1.00 37.11           O  
-ATOM    301  CB  ARG A  64      10.412  12.824  41.532  1.00 33.72           C  
-ATOM    302  CG  ARG A  64      10.990  11.503  42.016  1.00 35.07           C  
-ATOM    303  CD  ARG A  64       9.913  10.510  42.381  1.00 39.52           C  
-ATOM    304  NE  ARG A  64       9.240  10.007  41.189  1.00 50.07           N  
-ATOM    305  CZ  ARG A  64       9.835   9.280  40.245  1.00 52.90           C  
-ATOM    306  NH1 ARG A  64      11.121   8.962  40.354  1.00 55.61           N  
-ATOM    307  NH2 ARG A  64       9.148   8.875  39.184  1.00 53.61           N  
-ATOM    308  N   SER A  65      11.074  12.836  38.618  1.00 34.97           N  
-ATOM    309  CA  SER A  65      11.416  12.164  37.372  1.00 32.43           C  
-ATOM    310  C   SER A  65      12.553  12.832  36.621  1.00 31.87           C  
-ATOM    311  O   SER A  65      13.375  12.152  36.017  1.00 31.71           O  
-ATOM    312  CB  SER A  65      10.192  12.085  36.464  1.00 32.32           C  
-ATOM    313  OG  SER A  65       9.260  11.144  36.954  1.00 33.68           O  
-ATOM    314  N   TYR A  66      12.592  14.160  36.646  1.00 32.84           N  
-ATOM    315  CA  TYR A  66      13.646  14.895  35.950  1.00 34.80           C  
-ATOM    316  C   TYR A  66      14.989  14.614  36.624  1.00 34.36           C  
-ATOM    317  O   TYR A  66      16.004  14.425  35.951  1.00 33.94           O  
-ATOM    318  CB  TYR A  66      13.361  16.403  35.973  1.00 34.27           C  
-ATOM    319  CG  TYR A  66      14.295  17.221  35.097  1.00 33.30           C  
-ATOM    320  CD1 TYR A  66      14.047  17.379  33.730  1.00 34.81           C  
-ATOM    321  CD2 TYR A  66      15.428  17.833  35.630  1.00 33.79           C  
-ATOM    322  CE1 TYR A  66      14.903  18.128  32.916  1.00 32.03           C  
-ATOM    323  CE2 TYR A  66      16.291  18.582  34.827  1.00 31.91           C  
-ATOM    324  CZ  TYR A  66      16.022  18.724  33.474  1.00 33.10           C  
-ATOM    325  OH  TYR A  66      16.874  19.460  32.684  1.00 35.42           O  
-ATOM    326  N   ARG A  67      14.971  14.598  37.955  1.00 33.70           N  
-ATOM    327  CA  ARG A  67      16.150  14.330  38.769  1.00 34.26           C  
-ATOM    328  C   ARG A  67      16.646  12.909  38.507  1.00 33.37           C  
-ATOM    329  O   ARG A  67      17.847  12.668  38.391  1.00 33.14           O  
-ATOM    330  CB  ARG A  67      15.792  14.495  40.251  1.00 37.11           C  
-ATOM    331  CG  ARG A  67      16.848  14.023  41.260  1.00 42.58           C  
-ATOM    332  CD  ARG A  67      18.043  14.966  41.338  1.00 46.46           C  
-ATOM    333  NE  ARG A  67      18.849  14.752  42.543  1.00 49.87           N  
-ATOM    334  CZ  ARG A  67      18.428  14.966  43.789  1.00 52.99           C  
-ATOM    335  NH1 ARG A  67      17.191  15.405  44.017  1.00 49.16           N  
-ATOM    336  NH2 ARG A  67      19.256  14.755  44.809  1.00 52.77           N  
-ATOM    337  N   GLU A  68      15.717  11.968  38.405  1.00 33.46           N  
-ATOM    338  CA  GLU A  68      16.073  10.575  38.159  1.00 34.22           C  
-ATOM    339  C   GLU A  68      16.745  10.397  36.802  1.00 32.00           C  
-ATOM    340  O   GLU A  68      17.732   9.668  36.680  1.00 30.27           O  
-ATOM    341  CB  GLU A  68      14.827   9.696  38.226  1.00 39.18           C  
-ATOM    342  CG  GLU A  68      15.060   8.416  38.988  1.00 49.13           C  
-ATOM    343  CD  GLU A  68      15.611   8.684  40.379  1.00 54.52           C  
-ATOM    344  OE1 GLU A  68      14.925   9.375  41.174  1.00 54.71           O  
-ATOM    345  OE2 GLU A  68      16.733   8.208  40.670  1.00 55.55           O  
-ATOM    346  N   LEU A  69      16.195  11.059  35.786  1.00 29.79           N  
-ATOM    347  CA  LEU A  69      16.736  10.990  34.436  1.00 29.75           C  
-ATOM    348  C   LEU A  69      18.176  11.517  34.411  1.00 30.39           C  
-ATOM    349  O   LEU A  69      19.072  10.879  33.856  1.00 32.28           O  
-ATOM    350  CB  LEU A  69      15.866  11.816  33.482  1.00 28.20           C  
-ATOM    351  CG  LEU A  69      16.307  11.866  32.011  1.00 29.81           C  
-ATOM    352  CD1 LEU A  69      16.115  10.495  31.366  1.00 27.29           C  
-ATOM    353  CD2 LEU A  69      15.504  12.921  31.260  1.00 27.06           C  
-ATOM    354  N   ALA A  70      18.385  12.684  35.017  1.00 29.88           N  
-ATOM    355  CA  ALA A  70      19.700  13.312  35.074  1.00 29.81           C  
-ATOM    356  C   ALA A  70      20.706  12.431  35.806  1.00 31.84           C  
-ATOM    357  O   ALA A  70      21.840  12.277  35.349  1.00 33.76           O  
-ATOM    358  CB  ALA A  70      19.602  14.668  35.751  1.00 26.06           C  
-ATOM    359  N   ASP A  71      20.302  11.854  36.936  1.00 33.02           N  
-ATOM    360  CA  ASP A  71      21.200  10.977  37.690  1.00 36.00           C  
-ATOM    361  C   ASP A  71      21.595   9.787  36.824  1.00 35.55           C  
-ATOM    362  O   ASP A  71      22.744   9.346  36.830  1.00 36.24           O  
-ATOM    363  CB  ASP A  71      20.535  10.459  38.974  1.00 37.02           C  
-ATOM    364  CG  ASP A  71      20.329  11.549  40.015  1.00 43.06           C  
-ATOM    365  OD1 ASP A  71      20.958  12.625  39.893  1.00 44.38           O  
-ATOM    366  OD2 ASP A  71      19.545  11.324  40.966  1.00 45.29           O  
-ATOM    367  N   CYS A  72      20.629   9.277  36.074  1.00 33.94           N  
-ATOM    368  CA  CYS A  72      20.861   8.138  35.203  1.00 35.04           C  
-ATOM    369  C   CYS A  72      21.861   8.458  34.087  1.00 33.88           C  
-ATOM    370  O   CYS A  72      22.756   7.661  33.797  1.00 34.37           O  
-ATOM    371  CB  CYS A  72      19.527   7.678  34.612  1.00 35.52           C  
-ATOM    372  SG  CYS A  72      19.586   6.159  33.616  1.00 40.36           S  
-ATOM    373  N   THR A  73      21.718   9.617  33.457  1.00 31.50           N  
-ATOM    374  CA  THR A  73      22.644   9.975  32.396  1.00 30.42           C  
-ATOM    375  C   THR A  73      24.029  10.169  33.008  1.00 32.41           C  
-ATOM    376  O   THR A  73      25.049   9.887  32.372  1.00 33.89           O  
-ATOM    377  CB  THR A  73      22.217  11.274  31.689  1.00 29.13           C  
-ATOM    378  OG1 THR A  73      22.301  12.374  32.606  1.00 26.91           O  
-ATOM    379  CG2 THR A  73      20.790  11.144  31.168  1.00 28.39           C  
-ATOM    380  N   TRP A  74      24.053  10.651  34.250  1.00 33.13           N  
-ATOM    381  CA  TRP A  74      25.298  10.888  34.975  1.00 35.79           C  
-ATOM    382  C   TRP A  74      25.939   9.560  35.365  1.00 37.09           C  
-ATOM    383  O   TRP A  74      27.135   9.350  35.140  1.00 35.95           O  
-ATOM    384  CB  TRP A  74      25.019  11.753  36.209  1.00 36.68           C  
-ATOM    385  CG  TRP A  74      26.029  11.636  37.309  1.00 39.49           C  
-ATOM    386  CD1 TRP A  74      25.844  11.047  38.527  1.00 38.45           C  
-ATOM    387  CD2 TRP A  74      27.383  12.109  37.294  1.00 40.16           C  
-ATOM    388  NE1 TRP A  74      26.993  11.123  39.271  1.00 39.47           N  
-ATOM    389  CE2 TRP A  74      27.954  11.770  38.541  1.00 40.31           C  
-ATOM    390  CE3 TRP A  74      28.168  12.785  36.350  1.00 41.81           C  
-ATOM    391  CZ2 TRP A  74      29.279  12.084  38.868  1.00 40.48           C  
-ATOM    392  CZ3 TRP A  74      29.489  13.098  36.677  1.00 40.58           C  
-ATOM    393  CH2 TRP A  74      30.028  12.746  37.927  1.00 41.84           C  
-ATOM    394  N   HIS A  75      25.140   8.660  35.933  1.00 39.77           N  
-ATOM    395  CA  HIS A  75      25.640   7.344  36.319  1.00 42.09           C  
-ATOM    396  C   HIS A  75      26.176   6.605  35.097  1.00 40.49           C  
-ATOM    397  O   HIS A  75      27.259   6.022  35.141  1.00 40.59           O  
-ATOM    398  CB  HIS A  75      24.537   6.501  36.971  1.00 46.71           C  
-ATOM    399  CG  HIS A  75      24.139   6.972  38.335  1.00 52.91           C  
-ATOM    400  ND1 HIS A  75      25.003   7.650  39.171  1.00 56.38           N  
-ATOM    401  CD2 HIS A  75      22.980   6.836  39.023  1.00 55.42           C  
-ATOM    402  CE1 HIS A  75      24.392   7.912  40.312  1.00 58.17           C  
-ATOM    403  NE2 HIS A  75      23.163   7.428  40.249  1.00 58.09           N  
-ATOM    412  N   ALA A  77      27.364   7.820  32.507  1.00 36.42           N  
-ATOM    413  CA  ALA A  77      28.596   8.484  32.089  1.00 35.03           C  
-ATOM    414  C   ALA A  77      29.770   8.010  32.943  1.00 35.20           C  
-ATOM    415  O   ALA A  77      30.869   7.796  32.434  1.00 32.81           O  
-ATOM    416  CB  ALA A  77      28.444   9.989  32.196  1.00 33.57           C  
-ATOM    417  N   GLU A  78      29.546   7.854  34.244  1.00 37.36           N  
-ATOM    418  CA  GLU A  78      30.607   7.371  35.119  1.00 41.22           C  
-ATOM    419  C   GLU A  78      30.949   5.958  34.681  1.00 43.65           C  
-ATOM    420  O   GLU A  78      32.097   5.662  34.348  1.00 44.69           O  
-ATOM    421  CB  GLU A  78      30.149   7.341  36.572  1.00 42.96           C  
-ATOM    422  CG  GLU A  78      29.895   8.694  37.174  1.00 46.44           C  
-ATOM    423  CD  GLU A  78      29.678   8.605  38.663  1.00 51.95           C  
-ATOM    424  OE1 GLU A  78      30.651   8.292  39.382  1.00 54.62           O  
-ATOM    425  OE2 GLU A  78      28.535   8.836  39.116  1.00 56.76           O  
-ATOM    426  N   LYS A  79      29.937   5.092  34.684  1.00 44.64           N  
-ATOM    427  CA  LYS A  79      30.101   3.706  34.269  1.00 45.12           C  
-ATOM    428  C   LYS A  79      30.983   3.594  33.033  1.00 43.16           C  
-ATOM    429  O   LYS A  79      32.004   2.917  33.057  1.00 44.46           O  
-ATOM    430  CB  LYS A  79      28.738   3.075  33.971  1.00 49.46           C  
-ATOM    431  CG  LYS A  79      28.012   2.531  35.193  1.00 56.79           C  
-ATOM    432  CD  LYS A  79      28.706   1.290  35.754  1.00 61.63           C  
-ATOM    433  CE  LYS A  79      28.664   0.124  34.763  1.00 63.99           C  
-ATOM    434  NZ  LYS A  79      29.375  -1.090  35.272  1.00 63.48           N  
-ATOM    435  N   LEU A  80      30.596   4.268  31.956  1.00 40.20           N  
-ATOM    436  CA  LEU A  80      31.365   4.206  30.720  1.00 38.12           C  
-ATOM    437  C   LEU A  80      32.619   5.084  30.705  1.00 37.45           C  
-ATOM    438  O   LEU A  80      33.404   5.048  29.755  1.00 34.96           O  
-ATOM    439  CB  LEU A  80      30.466   4.549  29.528  1.00 36.57           C  
-ATOM    440  CG  LEU A  80      29.260   3.628  29.303  1.00 37.74           C  
-ATOM    441  CD1 LEU A  80      28.795   3.736  27.859  1.00 35.91           C  
-ATOM    442  CD2 LEU A  80      29.644   2.188  29.606  1.00 38.14           C  
-ATOM    443  N   GLY A  81      32.809   5.867  31.760  1.00 37.09           N  
-ATOM    444  CA  GLY A  81      33.971   6.735  31.831  1.00 35.92           C  
-ATOM    445  C   GLY A  81      33.968   7.846  30.796  1.00 36.53           C  
-ATOM    446  O   GLY A  81      35.025   8.241  30.311  1.00 36.25           O  
-ATOM    447  N   CYS A  82      32.783   8.348  30.456  1.00 36.26           N  
-ATOM    448  CA  CYS A  82      32.654   9.422  29.476  1.00 35.52           C  
-ATOM    449  C   CYS A  82      33.096  10.712  30.115  1.00 34.27           C  
-ATOM    450  O   CYS A  82      33.387  10.749  31.310  1.00 34.74           O  
-ATOM    451  CB  CYS A  82      31.195   9.584  29.029  1.00 38.47           C  
-ATOM    452  SG  CYS A  82      30.507   8.107  28.230  1.00 44.55           S  
-ATOM    453  N   PHE A  83      33.154  11.770  29.317  1.00 32.39           N  
-ATOM    454  CA  PHE A  83      33.516  13.077  29.836  1.00 29.73           C  
-ATOM    455  C   PHE A  83      32.220  13.681  30.380  1.00 29.62           C  
-ATOM    456  O   PHE A  83      31.127  13.183  30.098  1.00 29.49           O  
-ATOM    457  CB  PHE A  83      34.066  13.978  28.726  1.00 28.12           C  
-ATOM    458  CG  PHE A  83      35.408  13.555  28.198  1.00 29.09           C  
-ATOM    459  CD1 PHE A  83      36.477  13.338  29.064  1.00 28.54           C  
-ATOM    460  CD2 PHE A  83      35.615  13.413  26.829  1.00 29.03           C  
-ATOM    461  CE1 PHE A  83      37.735  12.989  28.574  1.00 27.90           C  
-ATOM    462  CE2 PHE A  83      36.871  13.062  26.327  1.00 29.58           C  
-ATOM    463  CZ  PHE A  83      37.933  12.850  27.202  1.00 26.63           C  
-ATOM    464  N   TRP A  84      32.337  14.743  31.163  1.00 28.00           N  
-ATOM    465  CA  TRP A  84      31.161  15.395  31.701  1.00 26.37           C  
-ATOM    466  C   TRP A  84      31.409  16.894  31.763  1.00 27.48           C  
-ATOM    467  O   TRP A  84      32.333  17.352  32.428  1.00 30.08           O  
-ATOM    468  CB  TRP A  84      30.824  14.843  33.089  1.00 24.79           C  
-ATOM    469  CG  TRP A  84      29.484  15.303  33.570  1.00 26.71           C  
-ATOM    470  CD1 TRP A  84      29.218  16.398  34.350  1.00 25.35           C  
-ATOM    471  CD2 TRP A  84      28.209  14.730  33.233  1.00 24.64           C  
-ATOM    472  NE1 TRP A  84      27.859  16.542  34.511  1.00 26.70           N  
-ATOM    473  CE2 TRP A  84      27.217  15.536  33.836  1.00 25.24           C  
-ATOM    474  CE3 TRP A  84      27.809  13.622  32.470  1.00 22.97           C  
-ATOM    475  CZ2 TRP A  84      25.847  15.258  33.708  1.00 25.49           C  
-ATOM    476  CZ3 TRP A  84      26.447  13.348  32.341  1.00 21.48           C  
-ATOM    477  CH2 TRP A  84      25.485  14.165  32.954  1.00 21.50           C  
-ATOM    478  N   PRO A  85      30.618  17.675  31.012  1.00 27.12           N  
-ATOM    479  CA  PRO A  85      29.551  17.160  30.144  1.00 25.94           C  
-ATOM    480  C   PRO A  85      30.144  16.593  28.848  1.00 27.64           C  
-ATOM    481  O   PRO A  85      31.361  16.438  28.722  1.00 26.21           O  
-ATOM    482  CB  PRO A  85      28.697  18.399  29.891  1.00 24.63           C  
-ATOM    483  CG  PRO A  85      29.731  19.504  29.870  1.00 21.34           C  
-ATOM    484  CD  PRO A  85      30.615  19.151  31.044  1.00 23.29           C  
-ATOM    485  N   ASN A  86      29.279  16.281  27.890  1.00 27.84           N  
-ATOM    486  CA  ASN A  86      29.719  15.769  26.598  1.00 26.02           C  
-ATOM    487  C   ASN A  86      28.612  16.037  25.583  1.00 27.11           C  
-ATOM    488  O   ASN A  86      27.436  16.156  25.948  1.00 28.54           O  
-ATOM    489  CB  ASN A  86      30.052  14.275  26.698  1.00 22.74           C  
-ATOM    490  CG  ASN A  86      28.880  13.445  27.145  1.00 24.40           C  
-ATOM    491  OD1 ASN A  86      27.919  13.262  26.403  1.00 23.62           O  
-ATOM    492  ND2 ASN A  86      28.948  12.936  28.370  1.00 25.71           N  
-ATOM    493  N   ALA A  87      28.985  16.142  24.312  1.00 25.48           N  
-ATOM    494  CA  ALA A  87      28.024  16.448  23.258  1.00 24.27           C  
-ATOM    495  C   ALA A  87      26.790  15.557  23.210  1.00 24.33           C  
-ATOM    496  O   ALA A  87      25.692  16.028  22.918  1.00 27.34           O  
-ATOM    497  CB  ALA A  87      28.726  16.448  21.899  1.00 21.41           C  
-ATOM    498  N   GLU A  88      26.962  14.277  23.505  1.00 24.45           N  
-ATOM    499  CA  GLU A  88      25.852  13.339  23.463  1.00 24.74           C  
-ATOM    500  C   GLU A  88      24.789  13.647  24.518  1.00 25.42           C  
-ATOM    501  O   GLU A  88      23.612  13.798  24.188  1.00 23.00           O  
-ATOM    502  CB  GLU A  88      26.379  11.909  23.632  1.00 27.01           C  
-ATOM    503  CG  GLU A  88      25.365  10.820  23.353  1.00 30.87           C  
-ATOM    504  CD  GLU A  88      24.760  10.931  21.966  1.00 35.10           C  
-ATOM    505  OE1 GLU A  88      25.533  11.038  20.986  1.00 35.14           O  
-ATOM    506  OE2 GLU A  88      23.513  10.909  21.858  1.00 38.39           O  
-ATOM    507  N   VAL A  89      25.194  13.750  25.782  1.00 24.62           N  
-ATOM    508  CA  VAL A  89      24.232  14.036  26.836  1.00 26.53           C  
-ATOM    509  C   VAL A  89      23.621  15.422  26.623  1.00 27.45           C  
-ATOM    510  O   VAL A  89      22.444  15.648  26.925  1.00 25.71           O  
-ATOM    511  CB  VAL A  89      24.882  13.952  28.251  1.00 29.53           C  
-ATOM    512  CG1 VAL A  89      25.956  15.020  28.419  1.00 29.25           C  
-ATOM    513  CG2 VAL A  89      23.802  14.111  29.317  1.00 30.93           C  
-ATOM    514  N   ASP A  90      24.439  16.338  26.104  1.00 27.77           N  
-ATOM    515  CA  ASP A  90      24.016  17.701  25.799  1.00 26.64           C  
-ATOM    516  C   ASP A  90      22.816  17.647  24.872  1.00 25.69           C  
-ATOM    517  O   ASP A  90      21.777  18.257  25.135  1.00 27.12           O  
-ATOM    518  CB  ASP A  90      25.139  18.453  25.084  1.00 28.28           C  
-ATOM    519  CG  ASP A  90      25.953  19.326  26.016  1.00 31.06           C  
-ATOM    520  OD1 ASP A  90      25.799  19.195  27.256  1.00 33.14           O  
-ATOM    521  OD2 ASP A  90      26.753  20.138  25.497  1.00 28.08           O  
-ATOM    522  N   ARG A  91      22.979  16.908  23.781  1.00 23.35           N  
-ATOM    523  CA  ARG A  91      21.931  16.758  22.784  1.00 24.77           C  
-ATOM    524  C   ARG A  91      20.729  16.004  23.342  1.00 24.55           C  
-ATOM    525  O   ARG A  91      19.586  16.295  22.989  1.00 24.56           O  
-ATOM    526  CB  ARG A  91      22.484  16.022  21.566  1.00 23.52           C  
-ATOM    527  CG  ARG A  91      21.536  15.955  20.388  1.00 25.86           C  
-ATOM    528  CD  ARG A  91      22.243  15.365  19.175  1.00 29.25           C  
-ATOM    529  NE  ARG A  91      22.696  13.992  19.408  1.00 30.99           N  
-ATOM    530  CZ  ARG A  91      23.325  13.251  18.499  1.00 30.60           C  
-ATOM    531  NH1 ARG A  91      23.583  13.745  17.296  1.00 28.10           N  
-ATOM    532  NH2 ARG A  91      23.685  12.009  18.785  1.00 31.57           N  
-ATOM    533  N   PHE A  92      20.995  15.034  24.211  1.00 25.82           N  
-ATOM    534  CA  PHE A  92      19.939  14.232  24.821  1.00 26.86           C  
-ATOM    535  C   PHE A  92      18.979  15.121  25.590  1.00 27.68           C  
-ATOM    536  O   PHE A  92      17.773  15.056  25.389  1.00 30.04           O  
-ATOM    537  CB  PHE A  92      20.539  13.207  25.782  1.00 27.65           C  
-ATOM    538  CG  PHE A  92      19.529  12.279  26.385  1.00 27.90           C  
-ATOM    539  CD1 PHE A  92      19.039  11.199  25.659  1.00 29.18           C  
-ATOM    540  CD2 PHE A  92      19.074  12.474  27.686  1.00 27.58           C  
-ATOM    541  CE1 PHE A  92      18.111  10.322  26.219  1.00 29.00           C  
-ATOM    542  CE2 PHE A  92      18.143  11.601  28.258  1.00 28.79           C  
-ATOM    543  CZ  PHE A  92      17.663  10.523  27.526  1.00 27.75           C  
-ATOM    544  N   PHE A  93      19.518  15.955  26.474  1.00 29.51           N  
-ATOM    545  CA  PHE A  93      18.678  16.844  27.264  1.00 29.13           C  
-ATOM    546  C   PHE A  93      18.004  17.904  26.418  1.00 28.88           C  
-ATOM    547  O   PHE A  93      16.896  18.343  26.731  1.00 29.45           O  
-ATOM    548  CB  PHE A  93      19.484  17.471  28.405  1.00 29.41           C  
-ATOM    549  CG  PHE A  93      19.453  16.652  29.658  1.00 29.48           C  
-ATOM    550  CD1 PHE A  93      18.307  16.627  30.450  1.00 29.15           C  
-ATOM    551  CD2 PHE A  93      20.507  15.803  29.977  1.00 31.80           C  
-ATOM    552  CE1 PHE A  93      18.204  15.762  31.539  1.00 30.08           C  
-ATOM    553  CE2 PHE A  93      20.417  14.927  31.068  1.00 30.98           C  
-ATOM    554  CZ  PHE A  93      19.261  14.904  31.848  1.00 31.02           C  
-ATOM    555  N   LEU A  94      18.653  18.305  25.333  1.00 27.49           N  
-ATOM    556  CA  LEU A  94      18.036  19.289  24.468  1.00 28.16           C  
-ATOM    557  C   LEU A  94      16.744  18.658  23.944  1.00 27.70           C  
-ATOM    558  O   LEU A  94      15.705  19.317  23.853  1.00 28.73           O  
-ATOM    559  CB  LEU A  94      18.958  19.642  23.302  1.00 29.51           C  
-ATOM    560  CG  LEU A  94      18.978  21.149  23.030  1.00 30.85           C  
-ATOM    561  CD1 LEU A  94      19.718  21.831  24.169  1.00 29.78           C  
-ATOM    562  CD2 LEU A  94      19.648  21.454  21.711  1.00 32.30           C  
-ATOM    563  N   ALA A  95      16.822  17.369  23.625  1.00 25.96           N  
-ATOM    564  CA  ALA A  95      15.688  16.618  23.107  1.00 24.20           C  
-ATOM    565  C   ALA A  95      14.560  16.465  24.137  1.00 24.97           C  
-ATOM    566  O   ALA A  95      13.380  16.662  23.815  1.00 23.69           O  
-ATOM    567  CB  ALA A  95      16.155  15.256  22.639  1.00 22.12           C  
-ATOM    568  N   VAL A  96      14.922  16.115  25.370  1.00 22.11           N  
-ATOM    569  CA  VAL A  96      13.937  15.949  26.427  1.00 19.13           C  
-ATOM    570  C   VAL A  96      13.205  17.260  26.673  1.00 20.92           C  
-ATOM    571  O   VAL A  96      11.987  17.278  26.870  1.00 20.45           O  
-ATOM    572  CB  VAL A  96      14.606  15.476  27.737  1.00 19.99           C  
-ATOM    573  CG1 VAL A  96      13.615  15.537  28.894  1.00 20.76           C  
-ATOM    574  CG2 VAL A  96      15.096  14.058  27.571  1.00 18.64           C  
-ATOM    575  N   HIS A  97      13.953  18.360  26.660  1.00 23.07           N  
-ATOM    576  CA  HIS A  97      13.368  19.681  26.872  1.00 23.41           C  
-ATOM    577  C   HIS A  97      12.444  20.030  25.718  1.00 23.80           C  
-ATOM    578  O   HIS A  97      11.331  20.516  25.932  1.00 24.03           O  
-ATOM    579  CB  HIS A  97      14.458  20.744  26.985  1.00 22.84           C  
-ATOM    580  CG  HIS A  97      15.210  20.704  28.276  1.00 25.65           C  
-ATOM    581  ND1 HIS A  97      16.140  21.659  28.625  1.00 26.15           N  
-ATOM    582  CD2 HIS A  97      15.166  19.827  29.308  1.00 24.36           C  
-ATOM    583  CE1 HIS A  97      16.634  21.374  29.815  1.00 24.33           C  
-ATOM    584  NE2 HIS A  97      16.060  20.267  30.252  1.00 24.28           N  
-ATOM    585  N   GLY A  98      12.913  19.774  24.499  1.00 22.12           N  
-ATOM    586  CA  GLY A  98      12.122  20.061  23.322  1.00 24.39           C  
-ATOM    587  C   GLY A  98      10.810  19.296  23.226  1.00 28.40           C  
-ATOM    588  O   GLY A  98       9.896  19.752  22.541  1.00 32.33           O  
-ATOM    589  N   ARG A  99      10.698  18.147  23.893  1.00 29.53           N  
-ATOM    590  CA  ARG A  99       9.467  17.366  23.823  1.00 29.93           C  
-ATOM    591  C   ARG A  99       8.618  17.360  25.089  1.00 28.79           C  
-ATOM    592  O   ARG A  99       7.400  17.445  25.018  1.00 30.30           O  
-ATOM    593  CB  ARG A  99       9.760  15.909  23.451  1.00 35.58           C  
-ATOM    594  CG  ARG A  99       8.494  15.144  23.055  1.00 41.46           C  
-ATOM    595  CD  ARG A  99       8.410  13.733  23.626  1.00 46.70           C  
-ATOM    596  NE  ARG A  99       9.285  12.775  22.954  1.00 52.51           N  
-ATOM    597  CZ  ARG A  99       8.940  11.517  22.673  1.00 56.84           C  
-ATOM    598  NH1 ARG A  99       7.732  11.058  22.998  1.00 54.62           N  
-ATOM    599  NH2 ARG A  99       9.809  10.708  22.078  1.00 57.03           N  
-ATOM    600  N   TYR A 100       9.249  17.247  26.249  1.00 29.19           N  
-ATOM    601  CA  TYR A 100       8.500  17.198  27.500  1.00 27.86           C  
-ATOM    602  C   TYR A 100       8.325  18.523  28.211  1.00 28.61           C  
-ATOM    603  O   TYR A 100       7.297  18.763  28.826  1.00 29.25           O  
-ATOM    604  CB  TYR A 100       9.169  16.217  28.450  1.00 27.52           C  
-ATOM    605  CG  TYR A 100       9.215  14.820  27.899  1.00 29.01           C  
-ATOM    606  CD1 TYR A 100       8.167  13.932  28.114  1.00 26.90           C  
-ATOM    607  CD2 TYR A 100      10.291  14.399  27.118  1.00 29.64           C  
-ATOM    608  CE1 TYR A 100       8.187  12.662  27.565  1.00 30.79           C  
-ATOM    609  CE2 TYR A 100      10.320  13.136  26.564  1.00 30.46           C  
-ATOM    610  CZ  TYR A 100       9.265  12.269  26.788  1.00 30.61           C  
-ATOM    611  OH  TYR A 100       9.286  11.016  26.220  1.00 33.84           O  
-ATOM    612  N   PHE A 101       9.315  19.398  28.114  1.00 29.47           N  
-ATOM    613  CA  PHE A 101       9.232  20.669  28.811  1.00 30.11           C  
-ATOM    614  C   PHE A 101       9.249  21.868  27.891  1.00 31.15           C  
-ATOM    615  O   PHE A 101      10.174  22.671  27.896  1.00 33.30           O  
-ATOM    616  CB  PHE A 101      10.363  20.733  29.828  1.00 28.18           C  
-ATOM    617  CG  PHE A 101      10.449  19.508  30.683  1.00 28.97           C  
-ATOM    618  CD1 PHE A 101       9.401  19.171  31.547  1.00 28.27           C  
-ATOM    619  CD2 PHE A 101      11.544  18.652  30.591  1.00 29.30           C  
-ATOM    620  CE1 PHE A 101       9.447  17.998  32.306  1.00 29.72           C  
-ATOM    621  CE2 PHE A 101      11.597  17.470  31.351  1.00 28.98           C  
-ATOM    622  CZ  PHE A 101      10.549  17.145  32.205  1.00 27.80           C  
-ATOM    623  N   ARG A 102       8.188  21.990  27.110  1.00 35.53           N  
-ATOM    624  CA  ARG A 102       8.060  23.083  26.169  1.00 39.35           C  
-ATOM    625  C   ARG A 102       7.023  24.094  26.684  1.00 38.08           C  
-ATOM    626  O   ARG A 102       5.899  23.722  27.029  1.00 39.30           O  
-ATOM    627  CB  ARG A 102       7.653  22.515  24.795  1.00 41.87           C  
-ATOM    628  CG  ARG A 102       8.019  23.410  23.612  1.00 50.13           C  
-ATOM    629  CD  ARG A 102       7.832  22.730  22.240  1.00 52.69           C  
-ATOM    630  NE  ARG A 102       6.445  22.363  21.965  1.00 55.50           N  
-ATOM    631  CZ  ARG A 102       5.912  21.183  22.260  1.00 58.02           C  
-ATOM    632  NH1 ARG A 102       6.654  20.249  22.840  1.00 58.29           N  
-ATOM    633  NH2 ARG A 102       4.639  20.937  21.971  1.00 59.70           N  
-ATOM    634  N   SER A 103       7.419  25.361  26.771  1.00 33.72           N  
-ATOM    635  CA  SER A 103       6.513  26.421  27.206  1.00 33.36           C  
-ATOM    636  C   SER A 103       6.090  26.364  28.672  1.00 32.85           C  
-ATOM    637  O   SER A 103       4.970  26.744  29.020  1.00 30.97           O  
-ATOM    638  CB  SER A 103       5.265  26.414  26.327  1.00 33.67           C  
-ATOM    639  OG  SER A 103       5.620  26.411  24.956  1.00 38.84           O  
-ATOM    640  N   CYS A 104       6.993  25.913  29.532  1.00 32.32           N  
-ATOM    641  CA  CYS A 104       6.714  25.812  30.959  1.00 30.40           C  
-ATOM    642  C   CYS A 104       6.872  27.173  31.639  1.00 30.38           C  
-ATOM    643  O   CYS A 104       7.902  27.822  31.497  1.00 30.24           O  
-ATOM    644  CB  CYS A 104       7.660  24.796  31.581  1.00 28.90           C  
-ATOM    645  SG  CYS A 104       7.385  23.080  31.024  1.00 28.89           S  
-ATOM    646  N   PRO A 105       5.851  27.617  32.398  1.00 30.73           N  
-ATOM    647  CA  PRO A 105       5.878  28.910  33.095  1.00 31.23           C  
-ATOM    648  C   PRO A 105       6.768  28.987  34.340  1.00 33.17           C  
-ATOM    649  O   PRO A 105       7.128  27.974  34.939  1.00 31.67           O  
-ATOM    650  CB  PRO A 105       4.404  29.144  33.477  1.00 27.86           C  
-ATOM    651  CG  PRO A 105       3.630  28.116  32.721  1.00 28.02           C  
-ATOM    652  CD  PRO A 105       4.562  26.946  32.625  1.00 30.13           C  
-ATOM    653  N   ILE A 106       7.109  30.213  34.715  1.00 34.60           N  
-ATOM    654  CA  ILE A 106       7.886  30.471  35.913  1.00 36.15           C  
-ATOM    655  C   ILE A 106       6.873  31.103  36.875  1.00 39.57           C  
-ATOM    656  O   ILE A 106       6.366  32.197  36.615  1.00 39.08           O  
-ATOM    657  CB  ILE A 106       9.024  31.487  35.652  1.00 35.71           C  
-ATOM    658  CG1 ILE A 106       9.963  30.970  34.560  1.00 35.05           C  
-ATOM    659  CG2 ILE A 106       9.801  31.738  36.940  1.00 35.95           C  
-ATOM    660  CD1 ILE A 106      11.114  31.916  34.247  1.00 29.87           C  
-ATOM    661  N   SER A 107       6.567  30.411  37.970  1.00 42.31           N  
-ATOM    662  CA  SER A 107       5.606  30.909  38.959  1.00 45.66           C  
-ATOM    663  C   SER A 107       5.738  32.408  39.254  1.00 49.22           C  
-ATOM    664  O   SER A 107       4.712  33.031  39.613  1.00 50.34           O  
-ATOM    665  CB  SER A 107       5.740  30.130  40.267  1.00 42.41           C  
-ATOM    666  OG  SER A 107       6.989  30.395  40.869  1.00 39.77           O  

Deleted: SwiftApps/modFTDock/input/2yx8-2.pdb
===================================================================
--- SwiftApps/modFTDock/input/2yx8-2.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/2yx8-2.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,650 +0,0 @@
-ATOM      1  N   CYS A  27      34.939   8.141  26.097  1.00 61.68           N  
-ATOM      2  CA  CYS A  27      34.305   6.810  26.338  1.00 61.01           C  
-ATOM      3  C   CYS A  27      33.741   6.231  25.060  1.00 63.98           C  
-ATOM      4  O   CYS A  27      33.961   6.755  23.970  1.00 63.63           O  
-ATOM      5  CB  CYS A  27      33.143   6.934  27.318  1.00 56.61           C  
-ATOM      6  SG  CYS A  27      31.731   7.869  26.631  1.00 47.29           S  
-ATOM      7  N   GLN A  28      32.991   5.146  25.218  1.00 68.75           N  
-ATOM      8  CA  GLN A  28      32.334   4.496  24.093  1.00 73.22           C  
-ATOM      9  C   GLN A  28      31.154   5.416  23.768  1.00 73.73           C  
-ATOM     10  O   GLN A  28      29.987   5.038  23.890  1.00 74.54           O  
-ATOM     11  CB  GLN A  28      31.838   3.108  24.503  1.00 76.68           C  
-ATOM     12  CG  GLN A  28      32.920   2.234  25.123  1.00 81.48           C  
-ATOM     13  CD  GLN A  28      32.964   0.839  24.522  1.00 83.09           C  
-ATOM     14  OE1 GLN A  28      33.062   0.683  23.303  1.00 82.96           O  
-ATOM     15  NE2 GLN A  28      32.899  -0.182  25.375  1.00 82.87           N  
-ATOM     16  N   GLU A  29      31.495   6.635  23.364  1.00 73.82           N  
-ATOM     17  CA  GLU A  29      30.542   7.687  23.040  1.00 74.65           C  
-ATOM     18  C   GLU A  29      29.297   7.293  22.246  1.00 73.55           C  
-ATOM     19  O   GLU A  29      28.207   7.799  22.514  1.00 73.38           O  
-ATOM     20  CB  GLU A  29      31.287   8.820  22.329  1.00 78.09           C  
-ATOM     21  CG  GLU A  29      32.308   9.529  23.224  1.00 83.97           C  
-ATOM     22  CD  GLU A  29      33.163  10.541  22.473  1.00 86.41           C  
-ATOM     23  OE1 GLU A  29      32.589  11.398  21.769  1.00 88.80           O  
-ATOM     24  OE2 GLU A  29      34.407  10.485  22.591  1.00 87.12           O  
-ATOM     25  N   ALA A  30      29.446   6.399  21.275  1.00 72.70           N  
-ATOM     26  CA  ALA A  30      28.304   5.975  20.464  1.00 69.70           C  
-ATOM     27  C   ALA A  30      27.272   5.200  21.278  1.00 66.91           C  
-ATOM     28  O   ALA A  30      26.109   5.609  21.376  1.00 67.16           O  
-ATOM     29  CB  ALA A  30      28.779   5.120  19.294  1.00 72.24           C  
-ATOM     30  N   ASN A  31      27.706   4.077  21.850  1.00 62.40           N  
-ATOM     31  CA  ASN A  31      26.826   3.225  22.638  1.00 58.76           C  
-ATOM     32  C   ASN A  31      26.400   3.890  23.938  1.00 54.31           C  
-ATOM     33  O   ASN A  31      25.533   3.387  24.647  1.00 53.67           O  
-ATOM     34  CB  ASN A  31      27.498   1.871  22.908  1.00 62.27           C  
-ATOM     35  CG  ASN A  31      28.342   1.867  24.167  1.00 65.87           C  
-ATOM     36  OD1 ASN A  31      29.248   2.679  24.316  1.00 66.87           O  
-ATOM     37  ND2 ASN A  31      28.048   0.938  25.081  1.00 65.53           N  
-ATOM     38  N   TYR A  32      27.019   5.019  24.257  1.00 48.72           N  
-ATOM     39  CA  TYR A  32      26.645   5.753  25.454  1.00 43.67           C  
-ATOM     40  C   TYR A  32      25.280   6.377  25.157  1.00 43.16           C  
-ATOM     41  O   TYR A  32      24.404   6.439  26.021  1.00 42.14           O  
-ATOM     42  CB  TYR A  32      27.672   6.847  25.766  1.00 38.47           C  
-ATOM     43  CG  TYR A  32      27.198   7.842  26.800  1.00 35.36           C  
-ATOM     44  CD1 TYR A  32      26.894   7.436  28.099  1.00 34.21           C  
-ATOM     45  CD2 TYR A  32      27.031   9.188  26.475  1.00 31.93           C  
-ATOM     46  CE1 TYR A  32      26.436   8.340  29.050  1.00 30.55           C  
-ATOM     47  CE2 TYR A  32      26.569  10.103  27.425  1.00 31.91           C  
-ATOM     48  CZ  TYR A  32      26.277   9.668  28.709  1.00 31.49           C  
-ATOM     49  OH  TYR A  32      25.840  10.559  29.662  1.00 35.30           O  
-ATOM     50  N   GLY A  33      25.110   6.827  23.917  1.00 43.03           N  
-ATOM     51  CA  GLY A  33      23.855   7.428  23.503  1.00 42.48           C  
-ATOM     52  C   GLY A  33      22.719   6.422  23.438  1.00 40.90           C  
-ATOM     53  O   GLY A  33      21.588   6.726  23.812  1.00 40.66           O  
-ATOM     54  N   ALA A  34      23.012   5.220  22.958  1.00 40.45           N  
-ATOM     55  CA  ALA A  34      21.994   4.180  22.871  1.00 40.50           C  
-ATOM     56  C   ALA A  34      21.534   3.866  24.291  1.00 39.69           C  
-ATOM     57  O   ALA A  34      20.335   3.799  24.584  1.00 39.44           O  
-ATOM     58  CB  ALA A  34      22.575   2.933  22.219  1.00 39.00           C  
-ATOM     59  N   LEU A  35      22.517   3.694  25.167  1.00 38.14           N  
-ATOM     60  CA  LEU A  35      22.297   3.382  26.570  1.00 37.24           C  
-ATOM     61  C   LEU A  35      21.422   4.441  27.246  1.00 37.18           C  
-ATOM     62  O   LEU A  35      20.601   4.128  28.108  1.00 38.96           O  
-ATOM     63  CB  LEU A  35      23.654   3.287  27.267  1.00 35.44           C  
-ATOM     64  CG  LEU A  35      23.757   2.487  28.560  1.00 39.69           C  
-ATOM     65  CD1 LEU A  35      23.143   1.101  28.370  1.00 39.38           C  
-ATOM     66  CD2 LEU A  35      25.225   2.374  28.954  1.00 39.30           C  
-ATOM     67  N   LEU A  36      21.598   5.694  26.842  1.00 36.41           N  
-ATOM     68  CA  LEU A  36      20.832   6.803  27.398  1.00 33.78           C  
-ATOM     69  C   LEU A  36      19.352   6.706  27.052  1.00 33.47           C  
-ATOM     70  O   LEU A  36      18.500   7.067  27.852  1.00 33.79           O  
-ATOM     71  CB  LEU A  36      21.392   8.131  26.872  1.00 32.30           C  
-ATOM     72  CG  LEU A  36      22.130   9.090  27.814  1.00 30.60           C  
-ATOM     73  CD1 LEU A  36      22.969   8.328  28.830  1.00 30.80           C  
-ATOM     74  CD2 LEU A  36      22.993  10.024  26.973  1.00 29.11           C  
-ATOM     75  N   ARG A  37      19.041   6.220  25.858  1.00 35.38           N  
-ATOM     76  CA  ARG A  37      17.649   6.121  25.444  1.00 39.37           C  
-ATOM     77  C   ARG A  37      17.044   4.792  25.866  1.00 40.04           C  
-ATOM     78  O   ARG A  37      15.900   4.732  26.323  1.00 40.22           O  
-ATOM     79  CB  ARG A  37      17.537   6.301  23.923  1.00 39.85           C  
-ATOM     80  CG  ARG A  37      18.256   7.550  23.418  1.00 46.81           C  
-ATOM     81  CD  ARG A  37      17.998   7.868  21.948  1.00 50.83           C  
-ATOM     82  NE  ARG A  37      16.738   8.579  21.724  1.00 55.62           N  
-ATOM     83  CZ  ARG A  37      15.542   7.997  21.661  1.00 57.85           C  
-ATOM     84  NH1 ARG A  37      15.433   6.682  21.803  1.00 58.33           N  
-ATOM     85  NH2 ARG A  37      14.453   8.727  21.450  1.00 57.99           N  
-ATOM     86  N   GLU A  38      17.829   3.732  25.727  1.00 39.83           N  
-ATOM     87  CA  GLU A  38      17.382   2.393  26.069  1.00 41.11           C  
-ATOM     88  C   GLU A  38      17.141   2.190  27.555  1.00 40.95           C  
-ATOM     89  O   GLU A  38      16.219   1.472  27.949  1.00 41.87           O  
-ATOM     90  CB  GLU A  38      18.403   1.373  25.569  1.00 43.11           C  
-ATOM     91  CG  GLU A  38      18.331   1.107  24.070  1.00 46.93           C  
-ATOM     92  CD  GLU A  38      19.643   0.588  23.514  1.00 51.67           C  
-ATOM     93  OE1 GLU A  38      20.427  -0.005  24.293  1.00 53.31           O  
-ATOM     94  OE2 GLU A  38      19.888   0.766  22.300  1.00 52.27           O  
-ATOM     95  N   LEU A  39      17.957   2.833  28.380  1.00 39.81           N  
-ATOM     96  CA  LEU A  39      17.839   2.682  29.820  1.00 38.54           C  
-ATOM     97  C   LEU A  39      17.211   3.883  30.522  1.00 38.53           C  
-ATOM     98  O   LEU A  39      16.128   3.783  31.090  1.00 40.83           O  
-ATOM     99  CB  LEU A  39      19.221   2.415  30.409  1.00 38.80           C  
-ATOM    100  CG  LEU A  39      19.384   1.401  31.545  1.00 41.69           C  
-ATOM    101  CD1 LEU A  39      20.149   2.081  32.666  1.00 40.25           C  
-ATOM    102  CD2 LEU A  39      18.034   0.874  32.033  1.00 40.09           C  
-ATOM    103  N   CYS A  40      17.895   5.019  30.476  1.00 37.31           N  
-ATOM    104  CA  CYS A  40      17.426   6.236  31.131  1.00 36.07           C  
-ATOM    105  C   CYS A  40      16.124   6.828  30.600  1.00 35.46           C  
-ATOM    106  O   CYS A  40      15.206   7.106  31.366  1.00 34.28           O  
-ATOM    107  CB  CYS A  40      18.507   7.312  31.053  1.00 35.54           C  
-ATOM    108  SG  CYS A  40      20.105   6.835  31.775  1.00 37.77           S  
-ATOM    109  N   LEU A  41      16.055   7.034  29.290  1.00 34.46           N  
-ATOM    110  CA  LEU A  41      14.878   7.633  28.672  1.00 33.90           C  
-ATOM    111  C   LEU A  41      13.609   6.814  28.866  1.00 34.43           C  
-ATOM    112  O   LEU A  41      12.554   7.362  29.187  1.00 33.76           O  
-ATOM    113  CB  LEU A  41      15.128   7.864  27.174  1.00 31.47           C  
-ATOM    114  CG  LEU A  41      14.047   8.641  26.416  1.00 29.03           C  
-ATOM    115  CD1 LEU A  41      13.811   9.975  27.102  1.00 28.18           C  
-ATOM    116  CD2 LEU A  41      14.468   8.850  24.969  1.00 26.16           C  
-ATOM    117  N   THR A  42      13.714   5.503  28.677  1.00 35.03           N  
-ATOM    118  CA  THR A  42      12.563   4.618  28.821  1.00 36.27           C  
-ATOM    119  C   THR A  42      11.867   4.743  30.183  1.00 38.01           C  
-ATOM    120  O   THR A  42      10.633   4.854  30.254  1.00 37.47           O  
-ATOM    121  CB  THR A  42      12.972   3.153  28.593  1.00 35.39           C  
-ATOM    122  OG1 THR A  42      14.069   2.824  29.453  1.00 36.57           O  
-ATOM    123  CG2 THR A  42      13.384   2.940  27.146  1.00 33.96           C  
-ATOM    124  N   GLN A  43      12.655   4.733  31.257  1.00 36.57           N  
-ATOM    125  CA  GLN A  43      12.102   4.843  32.598  1.00 36.73           C  
-ATOM    126  C   GLN A  43      11.420   6.188  32.799  1.00 36.00           C  
-ATOM    127  O   GLN A  43      10.355   6.276  33.414  1.00 34.91           O  
-ATOM    128  CB  GLN A  43      13.206   4.665  33.639  1.00 40.23           C  
-ATOM    129  CG  GLN A  43      12.745   4.895  35.081  1.00 47.46           C  
-ATOM    130  CD  GLN A  43      11.503   4.100  35.438  1.00 49.65           C  
-ATOM    131  OE1 GLN A  43      11.472   2.880  35.289  1.00 53.05           O  
-ATOM    132  NE2 GLN A  43      10.472   4.791  35.916  1.00 50.49           N  
-ATOM    133  N   PHE A  44      12.049   7.235  32.276  1.00 34.72           N  
-ATOM    134  CA  PHE A  44      11.527   8.592  32.380  1.00 33.08           C  
-ATOM    135  C   PHE A  44      10.185   8.716  31.641  1.00 34.45           C  
-ATOM    136  O   PHE A  44       9.305   9.483  32.049  1.00 32.48           O  
-ATOM    137  CB  PHE A  44      12.556   9.564  31.792  1.00 27.88           C  
-ATOM    138  CG  PHE A  44      12.077  10.986  31.693  1.00 24.19           C  
-ATOM    139  CD1 PHE A  44      11.945  11.775  32.833  1.00 24.60           C  
-ATOM    140  CD2 PHE A  44      11.772  11.540  30.453  1.00 20.52           C  
-ATOM    141  CE1 PHE A  44      11.524  13.099  32.738  1.00 22.21           C  
-ATOM    142  CE2 PHE A  44      11.349  12.863  30.344  1.00 20.25           C  
-ATOM    143  CZ  PHE A  44      11.224  13.644  31.489  1.00 23.05           C  
-ATOM    144  N   GLN A  45      10.038   7.951  30.560  1.00 34.96           N  
-ATOM    145  CA  GLN A  45       8.821   7.970  29.751  1.00 37.01           C  
-ATOM    146  C   GLN A  45       7.637   7.338  30.471  1.00 36.53           C  
-ATOM    147  O   GLN A  45       6.513   7.822  30.368  1.00 34.44           O  
-ATOM    148  CB  GLN A  45       9.064   7.264  28.413  1.00 34.39           C  
-ATOM    149  CG  GLN A  45      10.175   7.904  27.612  1.00 35.11           C  
-ATOM    150  CD  GLN A  45      10.335   7.300  26.235  1.00 36.30           C  
-ATOM    151  OE1 GLN A  45      10.399   6.085  26.082  1.00 37.87           O  
-ATOM    152  NE2 GLN A  45      10.416   8.154  25.222  1.00 36.47           N  
-ATOM    153  N   VAL A  46       7.889   6.252  31.191  1.00 39.79           N  
-ATOM    154  CA  VAL A  46       6.824   5.600  31.938  1.00 42.19           C  
-ATOM    155  C   VAL A  46       6.309   6.580  32.989  1.00 43.86           C  
-ATOM    156  O   VAL A  46       5.112   6.859  33.056  1.00 44.77           O  
-ATOM    157  CB  VAL A  46       7.328   4.331  32.639  1.00 42.37           C  
-ATOM    158  CG1 VAL A  46       6.258   3.799  33.578  1.00 43.37           C  
-ATOM    159  CG2 VAL A  46       7.688   3.281  31.603  1.00 41.25           C  
-ATOM    160  N   ASP A  47       7.218   7.107  33.803  1.00 45.11           N  
-ATOM    161  CA  ASP A  47       6.831   8.060  34.832  1.00 46.09           C  
-ATOM    162  C   ASP A  47       6.089   9.233  34.196  1.00 45.89           C  
-ATOM    163  O   ASP A  47       5.001   9.600  34.633  1.00 47.38           O  
-ATOM    164  CB  ASP A  47       8.059   8.592  35.581  1.00 49.41           C  
-ATOM    165  CG  ASP A  47       8.942   7.485  36.127  1.00 51.81           C  
-ATOM    166  OD1 ASP A  47       8.414   6.546  36.757  1.00 54.40           O  
-ATOM    167  OD2 ASP A  47      10.174   7.560  35.935  1.00 54.62           O  
-ATOM    176  N   GLU A  49       4.548   9.390  31.429  1.00 45.27           N  
-ATOM    177  CA  GLU A  49       3.299   8.935  30.844  1.00 45.20           C  
-ATOM    178  C   GLU A  49       2.228   8.940  31.925  1.00 43.31           C  
-ATOM    179  O   GLU A  49       1.090   9.334  31.683  1.00 43.03           O  
-ATOM    180  CB  GLU A  49       3.474   7.525  30.281  1.00 49.20           C  
-ATOM    181  CG  GLU A  49       2.377   7.071  29.342  1.00 55.98           C  
-ATOM    182  CD  GLU A  49       2.212   8.001  28.151  1.00 61.73           C  
-ATOM    183  OE1 GLU A  49       3.239   8.387  27.549  1.00 62.44           O  
-ATOM    184  OE2 GLU A  49       1.054   8.341  27.814  1.00 65.19           O  
-ATOM    185  N   ALA A  50       2.607   8.518  33.126  1.00 40.78           N  
-ATOM    186  CA  ALA A  50       1.679   8.467  34.250  1.00 39.72           C  
-ATOM    187  C   ALA A  50       1.234   9.855  34.733  1.00 39.94           C  
-ATOM    188  O   ALA A  50       0.140  10.010  35.277  1.00 39.98           O  
-ATOM    189  CB  ALA A  50       2.310   7.698  35.394  1.00 36.92           C  
-ATOM    190  N   VAL A  51       2.080  10.861  34.541  1.00 38.53           N  
-ATOM    191  CA  VAL A  51       1.750  12.215  34.972  1.00 37.20           C  
-ATOM    192  C   VAL A  51       0.674  12.863  34.096  1.00 36.15           C  
-ATOM    193  O   VAL A  51      -0.322  13.383  34.602  1.00 36.87           O  
-ATOM    194  CB  VAL A  51       3.010  13.113  34.970  1.00 37.12           C  
-ATOM    195  CG1 VAL A  51       2.634  14.568  35.194  1.00 32.68           C  
-ATOM    196  CG2 VAL A  51       3.968  12.646  36.048  1.00 36.59           C  
-ATOM    197  N   GLY A  52       0.883  12.822  32.785  1.00 35.75           N  
-ATOM    198  CA  GLY A  52      -0.058  13.421  31.859  1.00 33.78           C  
-ATOM    199  C   GLY A  52       0.644  14.533  31.104  1.00 34.05           C  
-ATOM    200  O   GLY A  52       1.218  15.433  31.713  1.00 35.56           O  
-ATOM    201  N   GLU A  53       0.591  14.491  29.779  1.00 34.55           N  
-ATOM    202  CA  GLU A  53       1.259  15.498  28.973  1.00 34.19           C  
-ATOM    203  C   GLU A  53       0.996  16.938  29.384  1.00 34.36           C  
-ATOM    204  O   GLU A  53       1.932  17.724  29.518  1.00 35.03           O  
-ATOM    205  CB  GLU A  53       0.900  15.326  27.505  1.00 36.39           C  
-ATOM    206  CG  GLU A  53       1.625  16.316  26.624  1.00 42.76           C  
-ATOM    207  CD  GLU A  53       1.746  15.851  25.194  1.00 45.62           C  
-ATOM    208  OE1 GLU A  53       1.892  14.629  24.976  1.00 46.36           O  
-ATOM    209  OE2 GLU A  53       1.714  16.714  24.293  1.00 49.56           O  
-ATOM    210  N   THR A  54      -0.273  17.282  29.586  1.00 34.29           N  
-ATOM    211  CA  THR A  54      -0.656  18.643  29.963  1.00 30.40           C  
-ATOM    212  C   THR A  54      -0.251  19.063  31.376  1.00 30.04           C  
-ATOM    213  O   THR A  54      -0.488  20.202  31.777  1.00 31.95           O  
-ATOM    214  CB  THR A  54      -2.171  18.853  29.804  1.00 28.35           C  
-ATOM    215  OG1 THR A  54      -2.870  17.845  30.540  1.00 30.01           O  
-ATOM    216  CG2 THR A  54      -2.566  18.777  28.352  1.00 23.37           C  
-ATOM    217  N   LEU A  55       0.346  18.150  32.134  1.00 28.91           N  
-ATOM    218  CA  LEU A  55       0.799  18.475  33.483  1.00 28.23           C  
-ATOM    219  C   LEU A  55       2.331  18.333  33.597  1.00 29.07           C  
-ATOM    220  O   LEU A  55       2.891  18.400  34.693  1.00 29.10           O  
-ATOM    221  CB  LEU A  55       0.103  17.573  34.517  1.00 26.75           C  
-ATOM    222  CG  LEU A  55      -1.397  17.792  34.791  1.00 29.57           C  
-ATOM    223  CD1 LEU A  55      -1.863  16.825  35.886  1.00 29.23           C  
-ATOM    224  CD2 LEU A  55      -1.666  19.237  35.220  1.00 26.11           C  
-ATOM    225  N   TRP A  56       3.009  18.154  32.465  1.00 27.34           N  
-ATOM    226  CA  TRP A  56       4.460  17.994  32.475  1.00 26.32           C  
-ATOM    227  C   TRP A  56       5.227  19.235  32.919  1.00 26.75           C  
-ATOM    228  O   TRP A  56       6.362  19.137  33.387  1.00 28.13           O  
-ATOM    229  CB  TRP A  56       4.971  17.571  31.098  1.00 24.03           C  
-ATOM    230  CG  TRP A  56       4.667  16.155  30.730  1.00 23.65           C  
-ATOM    231  CD1 TRP A  56       4.307  15.141  31.573  1.00 22.47           C  
-ATOM    232  CD2 TRP A  56       4.747  15.581  29.419  1.00 23.84           C  
-ATOM    233  NE1 TRP A  56       4.161  13.968  30.867  1.00 25.19           N  
-ATOM    234  CE2 TRP A  56       4.427  14.209  29.544  1.00 21.95           C  
-ATOM    235  CE3 TRP A  56       5.064  16.091  28.151  1.00 24.10           C  
-ATOM    236  CZ2 TRP A  56       4.409  13.343  28.450  1.00 20.97           C  
-ATOM    237  CZ3 TRP A  56       5.047  15.229  27.061  1.00 22.85           C  
-ATOM    238  CH2 TRP A  56       4.723  13.867  27.220  1.00 22.20           C  
-ATOM    239  N   CYS A  57       4.612  20.401  32.766  1.00 26.22           N  
-ATOM    240  CA  CYS A  57       5.258  21.644  33.152  1.00 23.92           C  
-ATOM    241  C   CYS A  57       5.133  21.923  34.650  1.00 25.12           C  
-ATOM    242  O   CYS A  57       5.669  22.911  35.150  1.00 23.17           O  
-ATOM    243  CB  CYS A  57       4.679  22.803  32.342  1.00 21.59           C  
-ATOM    244  SG  CYS A  57       5.385  23.001  30.665  1.00 27.97           S  
-ATOM    245  N   ASP A  58       4.422  21.051  35.362  1.00 26.35           N  
-ATOM    246  CA  ASP A  58       4.251  21.201  36.805  1.00 27.93           C  
-ATOM    247  C   ASP A  58       5.391  20.470  37.500  1.00 28.05           C  
-ATOM    248  O   ASP A  58       5.324  19.258  37.719  1.00 27.70           O  
-ATOM    249  CB  ASP A  58       2.903  20.624  37.252  1.00 29.57           C  
-ATOM    250  CG  ASP A  58       2.694  20.722  38.754  1.00 30.94           C  
-ATOM    251  OD1 ASP A  58       3.232  21.667  39.365  1.00 33.12           O  
-ATOM    252  OD2 ASP A  58       1.981  19.866  39.328  1.00 34.06           O  
-ATOM    253  N   TRP A  59       6.436  21.221  37.837  1.00 28.53           N  
-ATOM    254  CA  TRP A  59       7.624  20.677  38.483  1.00 27.00           C  
-ATOM    255  C   TRP A  59       7.311  19.901  39.750  1.00 28.60           C  
-ATOM    256  O   TRP A  59       8.035  18.975  40.112  1.00 27.85           O  
-ATOM    257  CB  TRP A  59       8.608  21.808  38.770  1.00 26.34           C  
-ATOM    258  CG  TRP A  59       9.034  22.516  37.502  1.00 28.03           C  
-ATOM    259  CD1 TRP A  59       8.821  23.829  37.177  1.00 25.95           C  
-ATOM    260  CD2 TRP A  59       9.694  21.927  36.369  1.00 26.99           C  
-ATOM    261  NE1 TRP A  59       9.306  24.090  35.913  1.00 27.15           N  
-ATOM    262  CE2 TRP A  59       9.845  22.942  35.396  1.00 25.59           C  
-ATOM    263  CE3 TRP A  59      10.172  20.640  36.084  1.00 27.98           C  
-ATOM    264  CZ2 TRP A  59      10.451  22.709  34.159  1.00 27.19           C  
-ATOM    265  CZ3 TRP A  59      10.778  20.409  34.848  1.00 28.14           C  
-ATOM    266  CH2 TRP A  59      10.910  21.440  33.902  1.00 25.38           C  
-ATOM    267  N   GLY A  60       6.219  20.265  40.412  1.00 29.82           N  
-ATOM    268  CA  GLY A  60       5.840  19.570  41.625  1.00 30.33           C  
-ATOM    269  C   GLY A  60       5.484  18.128  41.327  1.00 30.98           C  
-ATOM    270  O   GLY A  60       5.463  17.284  42.216  1.00 33.06           O  
-ATOM    271  N   ARG A  61       5.210  17.842  40.062  1.00 30.98           N  
-ATOM    272  CA  ARG A  61       4.836  16.499  39.659  1.00 29.21           C  
-ATOM    273  C   ARG A  61       5.918  15.798  38.863  1.00 29.96           C  
-ATOM    274  O   ARG A  61       6.028  14.574  38.889  1.00 30.63           O  
-ATOM    275  CB  ARG A  61       3.563  16.555  38.824  1.00 27.92           C  
-ATOM    276  CG  ARG A  61       2.301  16.670  39.641  1.00 31.34           C  
-ATOM    277  CD  ARG A  61       1.095  16.880  38.749  1.00 34.94           C  
-ATOM    278  NE  ARG A  61      -0.152  16.712  39.486  1.00 37.13           N  
-ATOM    279  CZ  ARG A  61      -1.220  17.482  39.327  1.00 40.10           C  
-ATOM    280  NH1 ARG A  61      -1.191  18.481  38.458  1.00 45.27           N  
-ATOM    281  NH2 ARG A  61      -2.320  17.253  40.030  1.00 41.79           N  
-ATOM    282  N   THR A  62       6.734  16.582  38.176  1.00 29.91           N  
-ATOM    283  CA  THR A  62       7.771  16.022  37.326  1.00 29.48           C  
-ATOM    284  C   THR A  62       9.213  16.172  37.794  1.00 30.21           C  
-ATOM    285  O   THR A  62      10.107  15.569  37.197  1.00 30.91           O  
-ATOM    286  CB  THR A  62       7.664  16.624  35.917  1.00 27.97           C  
-ATOM    287  OG1 THR A  62       7.805  18.046  36.000  1.00 30.88           O  
-ATOM    288  CG2 THR A  62       6.309  16.313  35.311  1.00 27.25           C  
-ATOM    289  N   ILE A  63       9.450  16.945  38.853  1.00 30.42           N  
-ATOM    290  CA  ILE A  63      10.818  17.153  39.318  1.00 31.02           C  
-ATOM    291  C   ILE A  63      11.530  15.854  39.713  1.00 32.74           C  
-ATOM    292  O   ILE A  63      12.684  15.633  39.329  1.00 32.74           O  
-ATOM    293  CB  ILE A  63      10.883  18.199  40.474  1.00 30.76           C  
-ATOM    294  CG1 ILE A  63      12.302  18.758  40.568  1.00 32.80           C  
-ATOM    295  CG2 ILE A  63      10.479  17.589  41.804  1.00 30.03           C  
-ATOM    296  CD1 ILE A  63      12.770  19.436  39.277  1.00 33.15           C  
-ATOM    297  N   ARG A  64      10.844  14.986  40.449  1.00 32.60           N  
-ATOM    298  CA  ARG A  64      11.441  13.720  40.844  1.00 33.71           C  
-ATOM    299  C   ARG A  64      11.958  13.005  39.597  1.00 35.19           C  
-ATOM    300  O   ARG A  64      13.125  12.615  39.525  1.00 37.11           O  
-ATOM    301  CB  ARG A  64      10.412  12.824  41.532  1.00 33.72           C  
-ATOM    302  CG  ARG A  64      10.990  11.503  42.016  1.00 35.07           C  
-ATOM    303  CD  ARG A  64       9.913  10.510  42.381  1.00 39.52           C  
-ATOM    304  NE  ARG A  64       9.240  10.007  41.189  1.00 50.07           N  
-ATOM    305  CZ  ARG A  64       9.835   9.280  40.245  1.00 52.90           C  
-ATOM    306  NH1 ARG A  64      11.121   8.962  40.354  1.00 55.61           N  
-ATOM    307  NH2 ARG A  64       9.148   8.875  39.184  1.00 53.61           N  
-ATOM    308  N   SER A  65      11.074  12.836  38.618  1.00 34.97           N  
-ATOM    309  CA  SER A  65      11.416  12.164  37.372  1.00 32.43           C  
-ATOM    310  C   SER A  65      12.553  12.832  36.621  1.00 31.87           C  
-ATOM    311  O   SER A  65      13.375  12.152  36.017  1.00 31.71           O  
-ATOM    312  CB  SER A  65      10.192  12.085  36.464  1.00 32.32           C  
-ATOM    313  OG  SER A  65       9.260  11.144  36.954  1.00 33.68           O  
-ATOM    314  N   TYR A  66      12.592  14.160  36.646  1.00 32.84           N  
-ATOM    315  CA  TYR A  66      13.646  14.895  35.950  1.00 34.80           C  
-ATOM    316  C   TYR A  66      14.989  14.614  36.624  1.00 34.36           C  
-ATOM    317  O   TYR A  66      16.004  14.425  35.951  1.00 33.94           O  
-ATOM    318  CB  TYR A  66      13.361  16.403  35.973  1.00 34.27           C  
-ATOM    319  CG  TYR A  66      14.295  17.221  35.097  1.00 33.30           C  
-ATOM    320  CD1 TYR A  66      14.047  17.379  33.730  1.00 34.81           C  
-ATOM    321  CD2 TYR A  66      15.428  17.833  35.630  1.00 33.79           C  
-ATOM    322  CE1 TYR A  66      14.903  18.128  32.916  1.00 32.03           C  
-ATOM    323  CE2 TYR A  66      16.291  18.582  34.827  1.00 31.91           C  
-ATOM    324  CZ  TYR A  66      16.022  18.724  33.474  1.00 33.10           C  
-ATOM    325  OH  TYR A  66      16.874  19.460  32.684  1.00 35.42           O  
-ATOM    326  N   ARG A  67      14.971  14.598  37.955  1.00 33.70           N  
-ATOM    327  CA  ARG A  67      16.150  14.330  38.769  1.00 34.26           C  
-ATOM    328  C   ARG A  67      16.646  12.909  38.507  1.00 33.37           C  
-ATOM    329  O   ARG A  67      17.847  12.668  38.391  1.00 33.14           O  
-ATOM    330  CB  ARG A  67      15.792  14.495  40.251  1.00 37.11           C  
-ATOM    331  CG  ARG A  67      16.848  14.023  41.260  1.00 42.58           C  
-ATOM    332  CD  ARG A  67      18.043  14.966  41.338  1.00 46.46           C  
-ATOM    333  NE  ARG A  67      18.849  14.752  42.543  1.00 49.87           N  
-ATOM    334  CZ  ARG A  67      18.428  14.966  43.789  1.00 52.99           C  
-ATOM    335  NH1 ARG A  67      17.191  15.405  44.017  1.00 49.16           N  
-ATOM    336  NH2 ARG A  67      19.256  14.755  44.809  1.00 52.77           N  
-ATOM    337  N   GLU A  68      15.717  11.968  38.405  1.00 33.46           N  
-ATOM    338  CA  GLU A  68      16.073  10.575  38.159  1.00 34.22           C  
-ATOM    339  C   GLU A  68      16.745  10.397  36.802  1.00 32.00           C  
-ATOM    340  O   GLU A  68      17.732   9.668  36.680  1.00 30.27           O  
-ATOM    341  CB  GLU A  68      14.827   9.696  38.226  1.00 39.18           C  
-ATOM    342  CG  GLU A  68      15.060   8.416  38.988  1.00 49.13           C  
-ATOM    343  CD  GLU A  68      15.611   8.684  40.379  1.00 54.52           C  
-ATOM    344  OE1 GLU A  68      14.925   9.375  41.174  1.00 54.71           O  
-ATOM    345  OE2 GLU A  68      16.733   8.208  40.670  1.00 55.55           O  
-ATOM    346  N   LEU A  69      16.195  11.059  35.786  1.00 29.79           N  
-ATOM    347  CA  LEU A  69      16.736  10.990  34.436  1.00 29.75           C  
-ATOM    348  C   LEU A  69      18.176  11.517  34.411  1.00 30.39           C  
-ATOM    349  O   LEU A  69      19.072  10.879  33.856  1.00 32.28           O  
-ATOM    350  CB  LEU A  69      15.866  11.816  33.482  1.00 28.20           C  
-ATOM    351  CG  LEU A  69      16.307  11.866  32.011  1.00 29.81           C  
-ATOM    352  CD1 LEU A  69      16.115  10.495  31.366  1.00 27.29           C  
-ATOM    353  CD2 LEU A  69      15.504  12.921  31.260  1.00 27.06           C  
-ATOM    354  N   ALA A  70      18.385  12.684  35.017  1.00 29.88           N  
-ATOM    355  CA  ALA A  70      19.700  13.312  35.074  1.00 29.81           C  
-ATOM    356  C   ALA A  70      20.706  12.431  35.806  1.00 31.84           C  
-ATOM    357  O   ALA A  70      21.840  12.277  35.349  1.00 33.76           O  
-ATOM    358  CB  ALA A  70      19.602  14.668  35.751  1.00 26.06           C  
-ATOM    359  N   ASP A  71      20.302  11.854  36.936  1.00 33.02           N  
-ATOM    360  CA  ASP A  71      21.200  10.977  37.690  1.00 36.00           C  
-ATOM    361  C   ASP A  71      21.595   9.787  36.824  1.00 35.55           C  
-ATOM    362  O   ASP A  71      22.744   9.346  36.830  1.00 36.24           O  
-ATOM    363  CB  ASP A  71      20.535  10.459  38.974  1.00 37.02           C  
-ATOM    364  CG  ASP A  71      20.329  11.549  40.015  1.00 43.06           C  
-ATOM    365  OD1 ASP A  71      20.958  12.625  39.893  1.00 44.38           O  
-ATOM    366  OD2 ASP A  71      19.545  11.324  40.966  1.00 45.29           O  
-ATOM    367  N   CYS A  72      20.629   9.277  36.074  1.00 33.94           N  
-ATOM    368  CA  CYS A  72      20.861   8.138  35.203  1.00 35.04           C  
-ATOM    369  C   CYS A  72      21.861   8.458  34.087  1.00 33.88           C  
-ATOM    370  O   CYS A  72      22.756   7.661  33.797  1.00 34.37           O  
-ATOM    371  CB  CYS A  72      19.527   7.678  34.612  1.00 35.52           C  
-ATOM    372  SG  CYS A  72      19.586   6.159  33.616  1.00 40.36           S  
-ATOM    373  N   THR A  73      21.718   9.617  33.457  1.00 31.50           N  
-ATOM    374  CA  THR A  73      22.644   9.975  32.396  1.00 30.42           C  
-ATOM    375  C   THR A  73      24.029  10.169  33.008  1.00 32.41           C  
-ATOM    376  O   THR A  73      25.049   9.887  32.372  1.00 33.89           O  
-ATOM    377  CB  THR A  73      22.217  11.274  31.689  1.00 29.13           C  
-ATOM    378  OG1 THR A  73      22.301  12.374  32.606  1.00 26.91           O  
-ATOM    379  CG2 THR A  73      20.790  11.144  31.168  1.00 28.39           C  
-ATOM    380  N   TRP A  74      24.053  10.651  34.250  1.00 33.13           N  
-ATOM    381  CA  TRP A  74      25.298  10.888  34.975  1.00 35.79           C  
-ATOM    382  C   TRP A  74      25.939   9.560  35.365  1.00 37.09           C  
-ATOM    383  O   TRP A  74      27.135   9.350  35.140  1.00 35.95           O  
-ATOM    384  CB  TRP A  74      25.019  11.753  36.209  1.00 36.68           C  
-ATOM    385  CG  TRP A  74      26.029  11.636  37.309  1.00 39.49           C  
-ATOM    386  CD1 TRP A  74      25.844  11.047  38.527  1.00 38.45           C  
-ATOM    387  CD2 TRP A  74      27.383  12.109  37.294  1.00 40.16           C  
-ATOM    388  NE1 TRP A  74      26.993  11.123  39.271  1.00 39.47           N  
-ATOM    389  CE2 TRP A  74      27.954  11.770  38.541  1.00 40.31           C  
-ATOM    390  CE3 TRP A  74      28.168  12.785  36.350  1.00 41.81           C  
-ATOM    391  CZ2 TRP A  74      29.279  12.084  38.868  1.00 40.48           C  
-ATOM    392  CZ3 TRP A  74      29.489  13.098  36.677  1.00 40.58           C  
-ATOM    393  CH2 TRP A  74      30.028  12.746  37.927  1.00 41.84           C  
-ATOM    394  N   HIS A  75      25.140   8.660  35.933  1.00 39.77           N  
-ATOM    395  CA  HIS A  75      25.640   7.344  36.319  1.00 42.09           C  
-ATOM    396  C   HIS A  75      26.176   6.605  35.097  1.00 40.49           C  
-ATOM    397  O   HIS A  75      27.259   6.022  35.141  1.00 40.59           O  
-ATOM    398  CB  HIS A  75      24.537   6.501  36.971  1.00 46.71           C  
-ATOM    399  CG  HIS A  75      24.139   6.972  38.335  1.00 52.91           C  
-ATOM    400  ND1 HIS A  75      25.003   7.650  39.171  1.00 56.38           N  
-ATOM    401  CD2 HIS A  75      22.980   6.836  39.023  1.00 55.42           C  
-ATOM    402  CE1 HIS A  75      24.392   7.912  40.312  1.00 58.17           C  
-ATOM    403  NE2 HIS A  75      23.163   7.428  40.249  1.00 58.09           N  
-ATOM    412  N   ALA A  77      27.364   7.820  32.507  1.00 36.42           N  
-ATOM    413  CA  ALA A  77      28.596   8.484  32.089  1.00 35.03           C  
-ATOM    414  C   ALA A  77      29.770   8.010  32.943  1.00 35.20           C  
-ATOM    415  O   ALA A  77      30.869   7.796  32.434  1.00 32.81           O  
-ATOM    416  CB  ALA A  77      28.444   9.989  32.196  1.00 33.57           C  
-ATOM    417  N   GLU A  78      29.546   7.854  34.244  1.00 37.36           N  
-ATOM    418  CA  GLU A  78      30.607   7.371  35.119  1.00 41.22           C  
-ATOM    419  C   GLU A  78      30.949   5.958  34.681  1.00 43.65           C  
-ATOM    420  O   GLU A  78      32.097   5.662  34.348  1.00 44.69           O  
-ATOM    421  CB  GLU A  78      30.149   7.341  36.572  1.00 42.96           C  
-ATOM    422  CG  GLU A  78      29.895   8.694  37.174  1.00 46.44           C  
-ATOM    423  CD  GLU A  78      29.678   8.605  38.663  1.00 51.95           C  
-ATOM    424  OE1 GLU A  78      30.651   8.292  39.382  1.00 54.62           O  
-ATOM    425  OE2 GLU A  78      28.535   8.836  39.116  1.00 56.76           O  
-ATOM    426  N   LYS A  79      29.937   5.092  34.684  1.00 44.64           N  
-ATOM    427  CA  LYS A  79      30.101   3.706  34.269  1.00 45.12           C  
-ATOM    428  C   LYS A  79      30.983   3.594  33.033  1.00 43.16           C  
-ATOM    429  O   LYS A  79      32.004   2.917  33.057  1.00 44.46           O  
-ATOM    430  CB  LYS A  79      28.738   3.075  33.971  1.00 49.46           C  
-ATOM    431  CG  LYS A  79      28.012   2.531  35.193  1.00 56.79           C  
-ATOM    432  CD  LYS A  79      28.706   1.290  35.754  1.00 61.63           C  
-ATOM    433  CE  LYS A  79      28.664   0.124  34.763  1.00 63.99           C  
-ATOM    434  NZ  LYS A  79      29.375  -1.090  35.272  1.00 63.48           N  
-ATOM    435  N   LEU A  80      30.596   4.268  31.956  1.00 40.20           N  
-ATOM    436  CA  LEU A  80      31.365   4.206  30.720  1.00 38.12           C  
-ATOM    437  C   LEU A  80      32.619   5.084  30.705  1.00 37.45           C  
-ATOM    438  O   LEU A  80      33.404   5.048  29.755  1.00 34.96           O  
-ATOM    439  CB  LEU A  80      30.466   4.549  29.528  1.00 36.57           C  
-ATOM    440  CG  LEU A  80      29.260   3.628  29.303  1.00 37.74           C  
-ATOM    441  CD1 LEU A  80      28.795   3.736  27.859  1.00 35.91           C  
-ATOM    442  CD2 LEU A  80      29.644   2.188  29.606  1.00 38.14           C  
-ATOM    443  N   GLY A  81      32.809   5.867  31.760  1.00 37.09           N  
-ATOM    444  CA  GLY A  81      33.971   6.735  31.831  1.00 35.92           C  
-ATOM    445  C   GLY A  81      33.968   7.846  30.796  1.00 36.53           C  
-ATOM    446  O   GLY A  81      35.025   8.241  30.311  1.00 36.25           O  
-ATOM    447  N   CYS A  82      32.783   8.348  30.456  1.00 36.26           N  
-ATOM    448  CA  CYS A  82      32.654   9.422  29.476  1.00 35.52           C  
-ATOM    449  C   CYS A  82      33.096  10.712  30.115  1.00 34.27           C  
-ATOM    450  O   CYS A  82      33.387  10.749  31.310  1.00 34.74           O  
-ATOM    451  CB  CYS A  82      31.195   9.584  29.029  1.00 38.47           C  
-ATOM    452  SG  CYS A  82      30.507   8.107  28.230  1.00 44.55           S  
-ATOM    453  N   PHE A  83      33.154  11.770  29.317  1.00 32.39           N  
-ATOM    454  CA  PHE A  83      33.516  13.077  29.836  1.00 29.73           C  
-ATOM    455  C   PHE A  83      32.220  13.681  30.380  1.00 29.62           C  
-ATOM    456  O   PHE A  83      31.127  13.183  30.098  1.00 29.49           O  
-ATOM    457  CB  PHE A  83      34.066  13.978  28.726  1.00 28.12           C  
-ATOM    458  CG  PHE A  83      35.408  13.555  28.198  1.00 29.09           C  
-ATOM    459  CD1 PHE A  83      36.477  13.338  29.064  1.00 28.54           C  
-ATOM    460  CD2 PHE A  83      35.615  13.413  26.829  1.00 29.03           C  
-ATOM    461  CE1 PHE A  83      37.735  12.989  28.574  1.00 27.90           C  
-ATOM    462  CE2 PHE A  83      36.871  13.062  26.327  1.00 29.58           C  
-ATOM    463  CZ  PHE A  83      37.933  12.850  27.202  1.00 26.63           C  
-ATOM    464  N   TRP A  84      32.337  14.743  31.163  1.00 28.00           N  
-ATOM    465  CA  TRP A  84      31.161  15.395  31.701  1.00 26.37           C  
-ATOM    466  C   TRP A  84      31.409  16.894  31.763  1.00 27.48           C  
-ATOM    467  O   TRP A  84      32.333  17.352  32.428  1.00 30.08           O  
-ATOM    468  CB  TRP A  84      30.824  14.843  33.089  1.00 24.79           C  
-ATOM    469  CG  TRP A  84      29.484  15.303  33.570  1.00 26.71           C  
-ATOM    470  CD1 TRP A  84      29.218  16.398  34.350  1.00 25.35           C  
-ATOM    471  CD2 TRP A  84      28.209  14.730  33.233  1.00 24.64           C  
-ATOM    472  NE1 TRP A  84      27.859  16.542  34.511  1.00 26.70           N  
-ATOM    473  CE2 TRP A  84      27.217  15.536  33.836  1.00 25.24           C  
-ATOM    474  CE3 TRP A  84      27.809  13.622  32.470  1.00 22.97           C  
-ATOM    475  CZ2 TRP A  84      25.847  15.258  33.708  1.00 25.49           C  
-ATOM    476  CZ3 TRP A  84      26.447  13.348  32.341  1.00 21.48           C  
-ATOM    477  CH2 TRP A  84      25.485  14.165  32.954  1.00 21.50           C  
-ATOM    478  N   PRO A  85      30.618  17.675  31.012  1.00 27.12           N  
-ATOM    479  CA  PRO A  85      29.551  17.160  30.144  1.00 25.94           C  
-ATOM    480  C   PRO A  85      30.144  16.593  28.848  1.00 27.64           C  
-ATOM    481  O   PRO A  85      31.361  16.438  28.722  1.00 26.21           O  
-ATOM    482  CB  PRO A  85      28.697  18.399  29.891  1.00 24.63           C  
-ATOM    483  CG  PRO A  85      29.731  19.504  29.870  1.00 21.34           C  
-ATOM    484  CD  PRO A  85      30.615  19.151  31.044  1.00 23.29           C  
-ATOM    485  N   ASN A  86      29.279  16.281  27.890  1.00 27.84           N  
-ATOM    486  CA  ASN A  86      29.719  15.769  26.598  1.00 26.02           C  
-ATOM    487  C   ASN A  86      28.612  16.037  25.583  1.00 27.11           C  
-ATOM    488  O   ASN A  86      27.436  16.156  25.948  1.00 28.54           O  
-ATOM    489  CB  ASN A  86      30.052  14.275  26.698  1.00 22.74           C  
-ATOM    490  CG  ASN A  86      28.880  13.445  27.145  1.00 24.40           C  
-ATOM    491  OD1 ASN A  86      27.919  13.262  26.403  1.00 23.62           O  
-ATOM    492  ND2 ASN A  86      28.948  12.936  28.370  1.00 25.71           N  
-ATOM    493  N   ALA A  87      28.985  16.142  24.312  1.00 25.48           N  
-ATOM    494  CA  ALA A  87      28.024  16.448  23.258  1.00 24.27           C  
-ATOM    495  C   ALA A  87      26.790  15.557  23.210  1.00 24.33           C  
-ATOM    496  O   ALA A  87      25.692  16.028  22.918  1.00 27.34           O  
-ATOM    497  CB  ALA A  87      28.726  16.448  21.899  1.00 21.41           C  
-ATOM    498  N   GLU A  88      26.962  14.277  23.505  1.00 24.45           N  
-ATOM    499  CA  GLU A  88      25.852  13.339  23.463  1.00 24.74           C  
-ATOM    500  C   GLU A  88      24.789  13.647  24.518  1.00 25.42           C  
-ATOM    501  O   GLU A  88      23.612  13.798  24.188  1.00 23.00           O  
-ATOM    502  CB  GLU A  88      26.379  11.909  23.632  1.00 27.01           C  
-ATOM    503  CG  GLU A  88      25.365  10.820  23.353  1.00 30.87           C  
-ATOM    504  CD  GLU A  88      24.760  10.931  21.966  1.00 35.10           C  
-ATOM    505  OE1 GLU A  88      25.533  11.038  20.986  1.00 35.14           O  
-ATOM    506  OE2 GLU A  88      23.513  10.909  21.858  1.00 38.39           O  
-ATOM    507  N   VAL A  89      25.194  13.750  25.782  1.00 24.62           N  
-ATOM    508  CA  VAL A  89      24.232  14.036  26.836  1.00 26.53           C  
-ATOM    509  C   VAL A  89      23.621  15.422  26.623  1.00 27.45           C  
-ATOM    510  O   VAL A  89      22.444  15.648  26.925  1.00 25.71           O  
-ATOM    511  CB  VAL A  89      24.882  13.952  28.251  1.00 29.53           C  
-ATOM    512  CG1 VAL A  89      25.956  15.020  28.419  1.00 29.25           C  
-ATOM    513  CG2 VAL A  89      23.802  14.111  29.317  1.00 30.93           C  
-ATOM    514  N   ASP A  90      24.439  16.338  26.104  1.00 27.77           N  
-ATOM    515  CA  ASP A  90      24.016  17.701  25.799  1.00 26.64           C  
-ATOM    516  C   ASP A  90      22.816  17.647  24.872  1.00 25.69           C  
-ATOM    517  O   ASP A  90      21.777  18.257  25.135  1.00 27.12           O  
-ATOM    518  CB  ASP A  90      25.139  18.453  25.084  1.00 28.28           C  
-ATOM    519  CG  ASP A  90      25.953  19.326  26.016  1.00 31.06           C  
-ATOM    520  OD1 ASP A  90      25.799  19.195  27.256  1.00 33.14           O  
-ATOM    521  OD2 ASP A  90      26.753  20.138  25.497  1.00 28.08           O  
-ATOM    522  N   ARG A  91      22.979  16.908  23.781  1.00 23.35           N  
-ATOM    523  CA  ARG A  91      21.931  16.758  22.784  1.00 24.77           C  
-ATOM    524  C   ARG A  91      20.729  16.004  23.342  1.00 24.55           C  
-ATOM    525  O   ARG A  91      19.586  16.295  22.989  1.00 24.56           O  
-ATOM    526  CB  ARG A  91      22.484  16.022  21.566  1.00 23.52           C  
-ATOM    527  CG  ARG A  91      21.536  15.955  20.388  1.00 25.86           C  
-ATOM    528  CD  ARG A  91      22.243  15.365  19.175  1.00 29.25           C  
-ATOM    529  NE  ARG A  91      22.696  13.992  19.408  1.00 30.99           N  
-ATOM    530  CZ  ARG A  91      23.325  13.251  18.499  1.00 30.60           C  
-ATOM    531  NH1 ARG A  91      23.583  13.745  17.296  1.00 28.10           N  
-ATOM    532  NH2 ARG A  91      23.685  12.009  18.785  1.00 31.57           N  
-ATOM    533  N   PHE A  92      20.995  15.034  24.211  1.00 25.82           N  
-ATOM    534  CA  PHE A  92      19.939  14.232  24.821  1.00 26.86           C  
-ATOM    535  C   PHE A  92      18.979  15.121  25.590  1.00 27.68           C  
-ATOM    536  O   PHE A  92      17.773  15.056  25.389  1.00 30.04           O  
-ATOM    537  CB  PHE A  92      20.539  13.207  25.782  1.00 27.65           C  
-ATOM    538  CG  PHE A  92      19.529  12.279  26.385  1.00 27.90           C  
-ATOM    539  CD1 PHE A  92      19.039  11.199  25.659  1.00 29.18           C  
-ATOM    540  CD2 PHE A  92      19.074  12.474  27.686  1.00 27.58           C  
-ATOM    541  CE1 PHE A  92      18.111  10.322  26.219  1.00 29.00           C  
-ATOM    542  CE2 PHE A  92      18.143  11.601  28.258  1.00 28.79           C  
-ATOM    543  CZ  PHE A  92      17.663  10.523  27.526  1.00 27.75           C  
-ATOM    544  N   PHE A  93      19.518  15.955  26.474  1.00 29.51           N  
-ATOM    545  CA  PHE A  93      18.678  16.844  27.264  1.00 29.13           C  
-ATOM    546  C   PHE A  93      18.004  17.904  26.418  1.00 28.88           C  
-ATOM    547  O   PHE A  93      16.896  18.343  26.731  1.00 29.45           O  
-ATOM    548  CB  PHE A  93      19.484  17.471  28.405  1.00 29.41           C  
-ATOM    549  CG  PHE A  93      19.453  16.652  29.658  1.00 29.48           C  
-ATOM    550  CD1 PHE A  93      18.307  16.627  30.450  1.00 29.15           C  
-ATOM    551  CD2 PHE A  93      20.507  15.803  29.977  1.00 31.80           C  
-ATOM    552  CE1 PHE A  93      18.204  15.762  31.539  1.00 30.08           C  
-ATOM    553  CE2 PHE A  93      20.417  14.927  31.068  1.00 30.98           C  
-ATOM    554  CZ  PHE A  93      19.261  14.904  31.848  1.00 31.02           C  
-ATOM    555  N   LEU A  94      18.653  18.305  25.333  1.00 27.49           N  
-ATOM    556  CA  LEU A  94      18.036  19.289  24.468  1.00 28.16           C  
-ATOM    557  C   LEU A  94      16.744  18.658  23.944  1.00 27.70           C  
-ATOM    558  O   LEU A  94      15.705  19.317  23.853  1.00 28.73           O  
-ATOM    559  CB  LEU A  94      18.958  19.642  23.302  1.00 29.51           C  
-ATOM    560  CG  LEU A  94      18.978  21.149  23.030  1.00 30.85           C  
-ATOM    561  CD1 LEU A  94      19.718  21.831  24.169  1.00 29.78           C  
-ATOM    562  CD2 LEU A  94      19.648  21.454  21.711  1.00 32.30           C  
-ATOM    563  N   ALA A  95      16.822  17.369  23.625  1.00 25.96           N  
-ATOM    564  CA  ALA A  95      15.688  16.618  23.107  1.00 24.20           C  
-ATOM    565  C   ALA A  95      14.560  16.465  24.137  1.00 24.97           C  
-ATOM    566  O   ALA A  95      13.380  16.662  23.815  1.00 23.69           O  
-ATOM    567  CB  ALA A  95      16.155  15.256  22.639  1.00 22.12           C  
-ATOM    568  N   VAL A  96      14.922  16.115  25.370  1.00 22.11           N  
-ATOM    569  CA  VAL A  96      13.937  15.949  26.427  1.00 19.13           C  
-ATOM    570  C   VAL A  96      13.205  17.260  26.673  1.00 20.92           C  
-ATOM    571  O   VAL A  96      11.987  17.278  26.870  1.00 20.45           O  
-ATOM    572  CB  VAL A  96      14.606  15.476  27.737  1.00 19.99           C  
-ATOM    573  CG1 VAL A  96      13.615  15.537  28.894  1.00 20.76           C  
-ATOM    574  CG2 VAL A  96      15.096  14.058  27.571  1.00 18.64           C  
-ATOM    575  N   HIS A  97      13.953  18.360  26.660  1.00 23.07           N  
-ATOM    576  CA  HIS A  97      13.368  19.681  26.872  1.00 23.41           C  
-ATOM    577  C   HIS A  97      12.444  20.030  25.718  1.00 23.80           C  
-ATOM    578  O   HIS A  97      11.331  20.516  25.932  1.00 24.03           O  
-ATOM    579  CB  HIS A  97      14.458  20.744  26.985  1.00 22.84           C  
-ATOM    580  CG  HIS A  97      15.210  20.704  28.276  1.00 25.65           C  
-ATOM    581  ND1 HIS A  97      16.140  21.659  28.625  1.00 26.15           N  
-ATOM    582  CD2 HIS A  97      15.166  19.827  29.308  1.00 24.36           C  
-ATOM    583  CE1 HIS A  97      16.634  21.374  29.815  1.00 24.33           C  
-ATOM    584  NE2 HIS A  97      16.060  20.267  30.252  1.00 24.28           N  
-ATOM    585  N   GLY A  98      12.913  19.774  24.499  1.00 22.12           N  
-ATOM    586  CA  GLY A  98      12.122  20.061  23.322  1.00 24.39           C  
-ATOM    587  C   GLY A  98      10.810  19.296  23.226  1.00 28.40           C  
-ATOM    588  O   GLY A  98       9.896  19.752  22.541  1.00 32.33           O  
-ATOM    589  N   ARG A  99      10.698  18.147  23.893  1.00 29.53           N  
-ATOM    590  CA  ARG A  99       9.467  17.366  23.823  1.00 29.93           C  
-ATOM    591  C   ARG A  99       8.618  17.360  25.089  1.00 28.79           C  
-ATOM    592  O   ARG A  99       7.400  17.445  25.018  1.00 30.30           O  
-ATOM    593  CB  ARG A  99       9.760  15.909  23.451  1.00 35.58           C  
-ATOM    594  CG  ARG A  99       8.494  15.144  23.055  1.00 41.46           C  
-ATOM    595  CD  ARG A  99       8.410  13.733  23.626  1.00 46.70           C  
-ATOM    596  NE  ARG A  99       9.285  12.775  22.954  1.00 52.51           N  
-ATOM    597  CZ  ARG A  99       8.940  11.517  22.673  1.00 56.84           C  
-ATOM    598  NH1 ARG A  99       7.732  11.058  22.998  1.00 54.62           N  
-ATOM    599  NH2 ARG A  99       9.809  10.708  22.078  1.00 57.03           N  
-ATOM    600  N   TYR A 100       9.249  17.247  26.249  1.00 29.19           N  
-ATOM    601  CA  TYR A 100       8.500  17.198  27.500  1.00 27.86           C  
-ATOM    602  C   TYR A 100       8.325  18.523  28.211  1.00 28.61           C  
-ATOM    603  O   TYR A 100       7.297  18.763  28.826  1.00 29.25           O  
-ATOM    604  CB  TYR A 100       9.169  16.217  28.450  1.00 27.52           C  
-ATOM    605  CG  TYR A 100       9.215  14.820  27.899  1.00 29.01           C  
-ATOM    606  CD1 TYR A 100       8.167  13.932  28.114  1.00 26.90           C  
-ATOM    607  CD2 TYR A 100      10.291  14.399  27.118  1.00 29.64           C  
-ATOM    608  CE1 TYR A 100       8.187  12.662  27.565  1.00 30.79           C  
-ATOM    609  CE2 TYR A 100      10.320  13.136  26.564  1.00 30.46           C  
-ATOM    610  CZ  TYR A 100       9.265  12.269  26.788  1.00 30.61           C  
-ATOM    611  OH  TYR A 100       9.286  11.016  26.220  1.00 33.84           O  
-ATOM    612  N   PHE A 101       9.315  19.398  28.114  1.00 29.47           N  
-ATOM    613  CA  PHE A 101       9.232  20.669  28.811  1.00 30.11           C  
-ATOM    614  C   PHE A 101       9.249  21.868  27.891  1.00 31.15           C  
-ATOM    615  O   PHE A 101      10.174  22.671  27.896  1.00 33.30           O  
-ATOM    616  CB  PHE A 101      10.363  20.733  29.828  1.00 28.18           C  
-ATOM    617  CG  PHE A 101      10.449  19.508  30.683  1.00 28.97           C  
-ATOM    618  CD1 PHE A 101       9.401  19.171  31.547  1.00 28.27           C  
-ATOM    619  CD2 PHE A 101      11.544  18.652  30.591  1.00 29.30           C  
-ATOM    620  CE1 PHE A 101       9.447  17.998  32.306  1.00 29.72           C  
-ATOM    621  CE2 PHE A 101      11.597  17.470  31.351  1.00 28.98           C  
-ATOM    622  CZ  PHE A 101      10.549  17.145  32.205  1.00 27.80           C  
-ATOM    623  N   ARG A 102       8.188  21.990  27.110  1.00 35.53           N  
-ATOM    624  CA  ARG A 102       8.060  23.083  26.169  1.00 39.35           C  
-ATOM    625  C   ARG A 102       7.023  24.094  26.684  1.00 38.08           C  
-ATOM    626  O   ARG A 102       5.899  23.722  27.029  1.00 39.30           O  
-ATOM    627  CB  ARG A 102       7.653  22.515  24.795  1.00 41.87           C  
-ATOM    628  CG  ARG A 102       8.019  23.410  23.612  1.00 50.13           C  
-ATOM    629  CD  ARG A 102       7.832  22.730  22.240  1.00 52.69           C  
-ATOM    630  NE  ARG A 102       6.445  22.363  21.965  1.00 55.50           N  
-ATOM    631  CZ  ARG A 102       5.912  21.183  22.260  1.00 58.02           C  
-ATOM    632  NH1 ARG A 102       6.654  20.249  22.840  1.00 58.29           N  
-ATOM    633  NH2 ARG A 102       4.639  20.937  21.971  1.00 59.70           N  
-ATOM    634  N   SER A 103       7.419  25.361  26.771  1.00 33.72           N  
-ATOM    635  CA  SER A 103       6.513  26.421  27.206  1.00 33.36           C  
-ATOM    636  C   SER A 103       6.090  26.364  28.672  1.00 32.85           C  
-ATOM    637  O   SER A 103       4.970  26.744  29.020  1.00 30.97           O  
-ATOM    638  CB  SER A 103       5.265  26.414  26.327  1.00 33.67           C  
-ATOM    639  OG  SER A 103       5.620  26.411  24.956  1.00 38.84           O  
-ATOM    640  N   CYS A 104       6.993  25.913  29.532  1.00 32.32           N  
-ATOM    641  CA  CYS A 104       6.714  25.812  30.959  1.00 30.40           C  
-ATOM    642  C   CYS A 104       6.872  27.173  31.639  1.00 30.38           C  
-ATOM    643  O   CYS A 104       7.902  27.822  31.497  1.00 30.24           O  
-ATOM    644  CB  CYS A 104       7.660  24.796  31.581  1.00 28.90           C  
-ATOM    645  SG  CYS A 104       7.385  23.080  31.024  1.00 28.89           S  
-ATOM    646  N   PRO A 105       5.851  27.617  32.398  1.00 30.73           N  
-ATOM    647  CA  PRO A 105       5.878  28.910  33.095  1.00 31.23           C  
-ATOM    648  C   PRO A 105       6.768  28.987  34.340  1.00 33.17           C  
-ATOM    649  O   PRO A 105       7.128  27.974  34.939  1.00 31.67           O  
-ATOM    650  CB  PRO A 105       4.404  29.144  33.477  1.00 27.86           C  
-ATOM    651  CG  PRO A 105       3.630  28.116  32.721  1.00 28.02           C  
-ATOM    652  CD  PRO A 105       4.562  26.946  32.625  1.00 30.13           C  
-ATOM    653  N   ILE A 106       7.109  30.213  34.715  1.00 34.60           N  
-ATOM    654  CA  ILE A 106       7.886  30.471  35.913  1.00 36.15           C  
-ATOM    655  C   ILE A 106       6.873  31.103  36.875  1.00 39.57           C  
-ATOM    656  O   ILE A 106       6.366  32.197  36.615  1.00 39.08           O  
-ATOM    657  CB  ILE A 106       9.024  31.487  35.652  1.00 35.71           C  
-ATOM    658  CG1 ILE A 106       9.963  30.970  34.560  1.00 35.05           C  
-ATOM    659  CG2 ILE A 106       9.801  31.738  36.940  1.00 35.95           C  
-ATOM    660  CD1 ILE A 106      11.114  31.916  34.247  1.00 29.87           C  
-ATOM    661  N   SER A 107       6.567  30.411  37.970  1.00 42.31           N  
-ATOM    662  CA  SER A 107       5.606  30.909  38.959  1.00 45.66           C  
-ATOM    663  C   SER A 107       5.738  32.408  39.254  1.00 49.22           C  
-ATOM    664  O   SER A 107       4.712  33.031  39.613  1.00 50.34           O  
-ATOM    665  CB  SER A 107       5.740  30.130  40.267  1.00 42.41           C  
-ATOM    666  OG  SER A 107       6.989  30.395  40.869  1.00 39.77           O  

Deleted: SwiftApps/modFTDock/input/2z17-1.pdb
===================================================================
--- SwiftApps/modFTDock/input/2z17-1.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/2z17-1.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,734 +0,0 @@
-ATOM      1  N   PHE A  11      19.178 -34.022  -1.674  1.00 84.63           N  
-ATOM      2  CA  PHE A  11      18.300 -33.041  -0.972  1.00 84.67           C  
-ATOM      3  C   PHE A  11      16.942 -33.656  -0.639  1.00 85.51           C  
-ATOM      4  O   PHE A  11      16.537 -33.701   0.536  1.00 84.81           O  
-ATOM      5  CB  PHE A  11      18.094 -31.796  -1.842  1.00 83.16           C  
-ATOM      6  CG  PHE A  11      17.523 -30.635  -1.088  1.00 82.25           C  
-ATOM      7  CD1 PHE A  11      16.215 -30.680  -0.600  1.00 81.56           C  
-ATOM      8  CD2 PHE A  11      18.313 -29.525  -0.800  1.00 80.97           C  
-ATOM      9  CE1 PHE A  11      15.706 -29.650   0.163  1.00 80.81           C  
-ATOM     10  CE2 PHE A  11      17.818 -28.486  -0.035  1.00 80.59           C  
-ATOM     11  CZ  PHE A  11      16.506 -28.549   0.451  1.00 81.91           C  
-ATOM     12  N   SER A  12      16.251 -34.102  -1.694  1.00 85.90           N  
-ATOM     13  CA  SER A  12      14.933 -34.741  -1.606  1.00 85.65           C  
-ATOM     14  C   SER A  12      14.243 -34.538  -0.250  1.00 85.05           C  
-ATOM     15  O   SER A  12      14.250 -35.409   0.622  1.00 84.97           O  
-ATOM     16  CB  SER A  12      15.059 -36.244  -1.943  1.00 85.57           C  
-ATOM     17  OG  SER A  12      16.321 -36.766  -1.550  1.00 84.32           O  
-ATOM     18  N   TRP A  13      13.645 -33.367  -0.089  1.00 84.49           N  
-ATOM     19  CA  TRP A  13      12.965 -33.020   1.143  1.00 83.10           C  
-ATOM     20  C   TRP A  13      12.208 -31.672   0.989  1.00 81.67           C  
-ATOM     21  O   TRP A  13      12.341 -30.962  -0.018  1.00 80.19           O  
-ATOM     22  CB  TRP A  13      14.004 -33.002   2.297  1.00 84.36           C  
-ATOM     23  CG  TRP A  13      13.639 -32.126   3.451  1.00 86.37           C  
-ATOM     24  CD1 TRP A  13      14.375 -31.082   3.950  1.00 87.38           C  
-ATOM     25  CD2 TRP A  13      12.362 -32.055   4.094  1.00 87.20           C  
-ATOM     26  NE1 TRP A  13      13.622 -30.351   4.841  1.00 87.68           N  
-ATOM     27  CE2 TRP A  13      12.382 -30.927   4.943  1.00 87.90           C  
-ATOM     28  CE3 TRP A  13      11.193 -32.828   4.020  1.00 87.63           C  
-ATOM     29  CZ2 TRP A  13      11.273 -30.548   5.706  1.00 88.54           C  
-ATOM     30  CZ3 TRP A  13      10.092 -32.448   4.775  1.00 88.74           C  
-ATOM     31  CH2 TRP A  13      10.141 -31.318   5.607  1.00 88.36           C  
-ATOM     32  N   SER A  14      11.382 -31.380   1.992  1.00 79.84           N  
-ATOM     33  CA  SER A  14      10.545 -30.195   2.129  1.00 76.79           C  
-ATOM     34  C   SER A  14       9.573 -29.966   0.988  1.00 74.76           C  
-ATOM     35  O   SER A  14       9.944 -29.816  -0.177  1.00 74.03           O  
-ATOM     36  CB  SER A  14      11.397 -28.959   2.407  1.00 75.90           C  
-ATOM     37  OG  SER A  14      12.587 -28.969   1.651  1.00 76.39           O  
-ATOM     38  N   GLN A  15       8.303 -29.970   1.371  1.00 72.45           N  
-ATOM     39  CA  GLN A  15       7.192 -29.794   0.462  1.00 70.24           C  
-ATOM     40  C   GLN A  15       7.400 -28.608  -0.458  1.00 67.19           C  
-ATOM     41  O   GLN A  15       7.274 -27.467  -0.024  1.00 68.58           O  
-ATOM     42  CB  GLN A  15       5.903 -29.618   1.277  1.00 71.59           C  
-ATOM     43  CG  GLN A  15       5.482 -30.876   2.052  1.00 72.55           C  
-ATOM     44  CD  GLN A  15       4.963 -32.001   1.144  1.00 72.18           C  
-ATOM     45  OE1 GLN A  15       3.779 -32.040   0.790  1.00 70.52           O  
-ATOM     46  NE2 GLN A  15       5.858 -32.909   0.756  1.00 71.87           N  
-ATOM     47  N   ARG A  16       7.724 -28.871  -1.722  1.00 62.60           N  
-ATOM     48  CA  ARG A  16       7.927 -27.787  -2.680  1.00 58.74           C  
-ATOM     49  C   ARG A  16       6.657 -26.959  -2.787  1.00 53.97           C  
-ATOM     50  O   ARG A  16       5.614 -27.460  -3.206  1.00 53.91           O  
-ATOM     51  CB  ARG A  16       8.282 -28.325  -4.067  1.00 59.81           C  
-ATOM     52  CG  ARG A  16       9.598 -29.048  -4.132  1.00 63.24           C  
-ATOM     53  CD  ARG A  16      10.105 -29.124  -5.564  1.00 66.23           C  
-ATOM     54  NE  ARG A  16      10.483 -27.805  -6.066  1.00 67.44           N  
-ATOM     55  CZ  ARG A  16      10.772 -27.554  -7.336  1.00 68.06           C  
-ATOM     56  NH1 ARG A  16      10.722 -28.531  -8.232  1.00 68.87           N  
-ATOM     57  NH2 ARG A  16      11.113 -26.329  -7.710  1.00 68.87           N  
-ATOM     58  N   LYS A  17       6.744 -25.695  -2.404  1.00 47.77           N  
-ATOM     59  CA  LYS A  17       5.591 -24.835  -2.470  1.00 43.59           C  
-ATOM     60  C   LYS A  17       5.797 -23.533  -3.226  1.00 42.01           C  
-ATOM     61  O   LYS A  17       6.908 -23.017  -3.366  1.00 41.10           O  
-ATOM     62  CB  LYS A  17       5.075 -24.509  -1.076  1.00 42.59           C  
-ATOM     63  CG  LYS A  17       5.896 -25.024   0.077  1.00 42.40           C  
-ATOM     64  CD  LYS A  17       5.348 -24.449   1.381  1.00 42.97           C  
-ATOM     65  CE  LYS A  17       5.973 -25.081   2.595  1.00 41.51           C  
-ATOM     66  NZ  LYS A  17       5.352 -24.532   3.845  1.00 42.72           N  
-ATOM     67  N   LEU A  18       4.684 -23.007  -3.708  1.00 40.41           N  
-ATOM     68  CA  LEU A  18       4.650 -21.766  -4.450  1.00 38.88           C  
-ATOM     69  C   LEU A  18       3.620 -20.944  -3.719  1.00 38.43           C  
-ATOM     70  O   LEU A  18       2.412 -21.081  -3.922  1.00 39.33           O  
-ATOM     71  CB  LEU A  18       4.222 -22.044  -5.884  1.00 38.78           C  
-ATOM     72  CG  LEU A  18       4.308 -20.908  -6.890  1.00 40.83           C  
-ATOM     73  CD1 LEU A  18       5.342 -19.877  -6.474  1.00 38.28           C  
-ATOM     74  CD2 LEU A  18       4.637 -21.527  -8.249  1.00 41.46           C  
-ATOM     75  N   VAL A  19       4.107 -20.079  -2.855  1.00 38.24           N  
-ATOM     76  CA  VAL A  19       3.229 -19.276  -2.049  1.00 37.93           C  
-ATOM     77  C   VAL A  19       3.308 -17.773  -2.265  1.00 37.94           C  
-ATOM     78  O   VAL A  19       4.307 -17.262  -2.737  1.00 41.10           O  
-ATOM     79  CB  VAL A  19       3.506 -19.642  -0.620  1.00 37.44           C  
-ATOM     80  CG1 VAL A  19       2.724 -18.762   0.346  1.00 36.67           C  
-ATOM     81  CG2 VAL A  19       3.161 -21.112  -0.458  1.00 35.72           C  
-ATOM     82  N   THR A  20       2.236 -17.066  -1.936  1.00 37.71           N  
-ATOM     83  CA  THR A  20       2.225 -15.625  -2.079  1.00 36.88           C  
-ATOM     84  C   THR A  20       1.655 -14.962  -0.863  1.00 36.69           C  
-ATOM     85  O   THR A  20       0.485 -15.102  -0.589  1.00 39.02           O  
-ATOM     86  CB  THR A  20       1.418 -15.212  -3.260  1.00 37.01           C  
-ATOM     87  OG1 THR A  20       2.152 -15.532  -4.447  1.00 38.87           O  
-ATOM     88  CG2 THR A  20       1.145 -13.732  -3.207  1.00 38.70           C  
-ATOM     89  N   VAL A  21       2.490 -14.222  -0.153  1.00 36.09           N  
-ATOM     90  CA  VAL A  21       2.103 -13.538   1.071  1.00 37.54           C  
-ATOM     91  C   VAL A  21       1.878 -12.033   0.959  1.00 38.73           C  
-ATOM     92  O   VAL A  21       2.660 -11.323   0.321  1.00 40.91           O  
-ATOM     93  CB  VAL A  21       3.197 -13.697   2.146  1.00 38.48           C  
-ATOM     94  CG1 VAL A  21       2.697 -13.160   3.466  1.00 38.02           C  
-ATOM     95  CG2 VAL A  21       3.644 -15.141   2.250  1.00 39.43           C  
-ATOM     96  N   GLU A  22       0.826 -11.531   1.595  1.00 38.61           N  
-ATOM     97  CA  GLU A  22       0.602 -10.090   1.594  1.00 37.44           C  
-ATOM     98  C   GLU A  22       0.512  -9.638   3.034  1.00 34.94           C  
-ATOM     99  O   GLU A  22       0.200 -10.432   3.913  1.00 35.55           O  
-ATOM    100  CB  GLU A  22      -0.643  -9.674   0.804  1.00 39.59           C  
-ATOM    101  CG  GLU A  22      -1.801 -10.623   0.823  1.00 48.68           C  
-ATOM    102  CD  GLU A  22      -3.103  -9.941   0.417  1.00 53.88           C  
-ATOM    103  OE1 GLU A  22      -4.156 -10.629   0.481  1.00 56.79           O  
-ATOM    104  OE2 GLU A  22      -3.071  -8.728   0.048  1.00 53.78           O  
-ATOM    105  N   LYS A  23       0.818  -8.375   3.281  1.00 31.52           N  
-ATOM    106  CA  LYS A  23       0.799  -7.888   4.625  1.00 31.02           C  
-ATOM    107  C   LYS A  23       0.425  -6.415   4.731  1.00 33.27           C  
-ATOM    108  O   LYS A  23       0.317  -5.697   3.731  1.00 32.95           O  
-ATOM    109  CB  LYS A  23       2.171  -8.110   5.248  1.00 31.12           C  
-ATOM    110  CG  LYS A  23       3.223  -7.112   4.784  1.00 30.72           C  
-ATOM    111  CD  LYS A  23       4.605  -7.438   5.320  1.00 31.65           C  
-ATOM    112  CE  LYS A  23       5.664  -6.548   4.700  1.00 29.44           C  
-ATOM    113  NZ  LYS A  23       5.233  -5.144   4.759  1.00 29.70           N  
-ATOM    114  N   GLN A  24       0.226  -6.001   5.977  1.00 35.65           N  
-ATOM    115  CA  GLN A  24      -0.116  -4.648   6.349  1.00 40.17           C  
-ATOM    116  C   GLN A  24       1.133  -3.788   6.180  1.00 41.34           C  
-ATOM    117  O   GLN A  24       2.233  -4.206   6.490  1.00 42.05           O  
-ATOM    118  CB  GLN A  24      -0.545  -4.603   7.822  1.00 45.87           C  
-ATOM    119  CG  GLN A  24      -1.781  -5.435   8.234  1.00 50.23           C  
-ATOM    120  CD  GLN A  24      -1.980  -5.478   9.774  1.00 54.08           C  
-ATOM    121  OE1 GLN A  24      -2.964  -6.055  10.282  1.00 53.32           O  
-ATOM    122  NE2 GLN A  24      -1.035  -4.866  10.517  1.00 53.78           N  
-ATOM    123  N   ASP A  25       0.951  -2.569   5.720  1.00 42.82           N  
-ATOM    124  CA  ASP A  25       2.067  -1.668   5.505  1.00 45.30           C  
-ATOM    125  C   ASP A  25       3.097  -1.523   6.625  1.00 45.27           C  
-ATOM    126  O   ASP A  25       4.272  -1.313   6.353  1.00 46.33           O  
-ATOM    127  CB  ASP A  25       1.525  -0.288   5.151  1.00 47.83           C  
-ATOM    128  CG  ASP A  25       0.498  -0.346   4.050  1.00 48.85           C  
-ATOM    129  OD1 ASP A  25       0.785   0.163   2.942  1.00 49.32           O  
-ATOM    130  OD2 ASP A  25      -0.590  -0.913   4.303  1.00 49.46           O  
-ATOM    131  N   ASN A  26       2.688  -1.615   7.879  1.00 46.02           N  
-ATOM    132  CA  ASN A  26       3.677  -1.442   8.940  1.00 47.00           C  
-ATOM    133  C   ASN A  26       3.993  -2.678   9.812  1.00 46.75           C  
-ATOM    134  O   ASN A  26       4.346  -2.545  10.991  1.00 47.36           O  
-ATOM    135  CB  ASN A  26       3.273  -0.250   9.822  1.00 47.85           C  
-ATOM    136  CG  ASN A  26       4.474   0.504  10.371  1.00 48.93           C  
-ATOM    137  OD1 ASN A  26       5.402   0.846   9.629  1.00 50.97           O  
-ATOM    138  ND2 ASN A  26       4.460   0.780  11.669  1.00 48.26           N  
-ATOM    139  N   GLU A  27       3.856  -3.869   9.230  1.00 46.25           N  
-ATOM    140  CA  GLU A  27       4.161  -5.126   9.916  1.00 43.84           C  
-ATOM    141  C   GLU A  27       5.151  -5.923   9.070  1.00 42.37           C  
-ATOM    142  O   GLU A  27       5.403  -5.586   7.912  1.00 41.17           O  
-ATOM    143  CB  GLU A  27       2.902  -5.958  10.122  1.00 42.33           C  
-ATOM    144  CG  GLU A  27       2.216  -6.379   8.847  1.00 44.23           C  
-ATOM    145  CD  GLU A  27       0.926  -7.132   9.110  1.00 43.33           C  
-ATOM    146  OE1 GLU A  27       0.553  -7.264  10.284  1.00 43.93           O  
-ATOM    147  OE2 GLU A  27       0.278  -7.592   8.153  1.00 44.01           O  
-ATOM    148  N   THR A  28       5.720  -6.969   9.650  1.00 40.64           N  
-ATOM    149  CA  THR A  28       6.650  -7.803   8.899  1.00 40.56           C  
-ATOM    150  C   THR A  28       5.868  -9.020   8.359  1.00 39.59           C  
-ATOM    151  O   THR A  28       4.783  -9.346   8.879  1.00 40.19           O  
-ATOM    152  CB  THR A  28       7.860  -8.259   9.794  1.00 40.57           C  
-ATOM    153  OG1 THR A  28       7.416  -9.132  10.841  1.00 38.81           O  
-ATOM    154  CG2 THR A  28       8.522  -7.050  10.421  1.00 40.98           C  
-ATOM    155  N   PHE A  29       6.381  -9.668   7.309  1.00 36.28           N  
-ATOM    156  CA  PHE A  29       5.700 -10.844   6.762  1.00 34.26           C  
-ATOM    157  C   PHE A  29       5.596 -11.918   7.818  1.00 34.14           C  
-ATOM    158  O   PHE A  29       4.750 -12.786   7.730  1.00 35.25           O  
-ATOM    159  CB  PHE A  29       6.425 -11.397   5.548  1.00 31.81           C  
-ATOM    160  CG  PHE A  29       6.252 -10.562   4.327  1.00 28.03           C  
-ATOM    161  CD1 PHE A  29       7.332  -9.897   3.767  1.00 26.18           C  
-ATOM    162  CD2 PHE A  29       5.006 -10.428   3.747  1.00 25.56           C  
-ATOM    163  CE1 PHE A  29       7.166  -9.115   2.656  1.00 25.00           C  
-ATOM    164  CE2 PHE A  29       4.834  -9.651   2.640  1.00 25.86           C  
-ATOM    165  CZ  PHE A  29       5.924  -8.983   2.086  1.00 24.15           C  
-ATOM    166  N   GLY A  30       6.483 -11.870   8.800  1.00 33.03           N  
-ATOM    167  CA  GLY A  30       6.400 -12.805   9.894  1.00 34.50           C  
-ATOM    168  C   GLY A  30       7.348 -13.965   9.980  1.00 35.70           C  
-ATOM    169  O   GLY A  30       7.096 -14.886  10.744  1.00 36.95           O  
-ATOM    170  N   PHE A  31       8.435 -13.928   9.226  1.00 37.11           N  
-ATOM    171  CA  PHE A  31       9.401 -15.015   9.234  1.00 37.18           C  
-ATOM    172  C   PHE A  31      10.801 -14.480   9.338  1.00 39.11           C  
-ATOM    173  O   PHE A  31      11.028 -13.286   9.155  1.00 41.02           O  
-ATOM    174  CB  PHE A  31       9.274 -15.854   7.962  1.00 36.95           C  
-ATOM    175  CG  PHE A  31       9.475 -15.082   6.677  1.00 34.05           C  
-ATOM    176  CD1 PHE A  31      10.743 -14.811   6.198  1.00 34.78           C  
-ATOM    177  CD2 PHE A  31       8.384 -14.686   5.911  1.00 35.75           C  
-ATOM    178  CE1 PHE A  31      10.924 -14.164   4.964  1.00 34.29           C  
-ATOM    179  CE2 PHE A  31       8.567 -14.032   4.677  1.00 35.64           C  
-ATOM    180  CZ  PHE A  31       9.840 -13.779   4.211  1.00 32.42           C  
-ATOM    181  N   GLU A  32      11.736 -15.379   9.616  1.00 38.51           N  
-ATOM    182  CA  GLU A  32      13.145 -15.037   9.755  1.00 37.00           C  
-ATOM    183  C   GLU A  32      13.997 -15.923   8.833  1.00 35.43           C  
-ATOM    184  O   GLU A  32      13.769 -17.142   8.732  1.00 32.90           O  
-ATOM    185  CB  GLU A  32      13.565 -15.280  11.190  1.00 38.73           C  
-ATOM    186  CG  GLU A  32      12.734 -14.536  12.194  1.00 44.97           C  
-ATOM    187  CD  GLU A  32      13.216 -13.119  12.383  1.00 48.43           C  
-ATOM    188  OE1 GLU A  32      12.615 -12.409  13.217  1.00 50.20           O  
-ATOM    189  OE2 GLU A  32      14.196 -12.723  11.698  1.00 48.74           O  
-ATOM    190  N   ILE A  33      14.967 -15.331   8.147  1.00 32.81           N  
-ATOM    191  CA  ILE A  33      15.793 -16.170   7.320  1.00 34.05           C  
-ATOM    192  C   ILE A  33      17.186 -16.373   7.860  1.00 34.60           C  
-ATOM    193  O   ILE A  33      17.571 -15.811   8.889  1.00 35.95           O  
-ATOM    194  CB  ILE A  33      15.873 -15.711   5.859  1.00 35.16           C  
-ATOM    195  CG1 ILE A  33      16.495 -14.333   5.772  1.00 35.93           C  
-ATOM    196  CG2 ILE A  33      14.504 -15.807   5.218  1.00 34.83           C  
-ATOM    197  CD1 ILE A  33      16.729 -13.915   4.340  1.00 41.55           C  
-ATOM    198  N   GLN A  34      17.966 -17.163   7.137  1.00 34.18           N  
-ATOM    199  CA  GLN A  34      19.267 -17.509   7.623  1.00 30.81           C  
-ATOM    200  C   GLN A  34      20.111 -18.095   6.529  1.00 29.84           C  
-ATOM    201  O   GLN A  34      19.769 -19.117   5.986  1.00 31.69           O  
-ATOM    202  CB  GLN A  34      19.041 -18.539   8.727  1.00 33.07           C  
-ATOM    203  CG  GLN A  34      19.511 -18.122  10.050  1.00 34.61           C  
-ATOM    204  CD  GLN A  34      20.969 -17.879  10.004  1.00 34.32           C  
-ATOM    205  OE1 GLN A  34      21.521 -17.128  10.811  1.00 33.80           O  
-ATOM    206  NE2 GLN A  34      21.625 -18.517   9.039  1.00 35.14           N  
-ATOM    207  N   SER A  35      21.216 -17.466   6.194  1.00 30.85           N  
-ATOM    208  CA  SER A  35      22.080 -18.018   5.166  1.00 34.14           C  
-ATOM    209  C   SER A  35      23.018 -19.052   5.769  1.00 33.90           C  
-ATOM    210  O   SER A  35      23.583 -18.821   6.825  1.00 33.91           O  
-ATOM    211  CB  SER A  35      22.911 -16.921   4.514  1.00 35.97           C  
-ATOM    212  OG  SER A  35      22.296 -16.449   3.329  1.00 40.44           O  
-ATOM    213  N   TYR A  36      23.185 -20.194   5.107  1.00 34.76           N  
-ATOM    214  CA  TYR A  36      24.077 -21.217   5.644  1.00 35.76           C  
-ATOM    215  C   TYR A  36      25.098 -21.634   4.657  1.00 36.10           C  
-ATOM    216  O   TYR A  36      24.746 -22.020   3.561  1.00 38.10           O  
-ATOM    217  CB  TYR A  36      23.331 -22.469   6.064  1.00 34.02           C  
-ATOM    218  CG  TYR A  36      22.435 -22.232   7.222  1.00 37.10           C  
-ATOM    219  CD1 TYR A  36      21.146 -21.727   7.028  1.00 36.41           C  
-ATOM    220  CD2 TYR A  36      22.887 -22.436   8.522  1.00 34.72           C  
-ATOM    221  CE1 TYR A  36      20.340 -21.426   8.082  1.00 38.44           C  
-ATOM    222  CE2 TYR A  36      22.079 -22.134   9.603  1.00 38.94           C  
-ATOM    223  CZ  TYR A  36      20.800 -21.621   9.378  1.00 41.43           C  
-ATOM    224  OH  TYR A  36      19.984 -21.279  10.448  1.00 45.77           O  
-ATOM    225  N   ARG A  37      26.361 -21.578   5.064  1.00 36.69           N  
-ATOM    226  CA  ARG A  37      27.460 -21.980   4.207  1.00 37.03           C  
-ATOM    227  C   ARG A  37      27.996 -23.349   4.593  1.00 37.18           C  
-ATOM    228  O   ARG A  37      28.162 -23.666   5.774  1.00 36.38           O  
-ATOM    229  CB  ARG A  37      28.604 -20.969   4.273  1.00 38.64           C  
-ATOM    230  CG  ARG A  37      28.573 -19.926   3.175  1.00 43.26           C  
-ATOM    231  CD  ARG A  37      29.841 -19.091   3.199  1.00 45.43           C  
-ATOM    232  NE  ARG A  37      30.187 -18.582   1.879  1.00 49.37           N  
-ATOM    233  CZ  ARG A  37      30.336 -19.340   0.789  1.00 52.36           C  
-ATOM    234  NH1 ARG A  37      30.162 -20.657   0.843  1.00 53.75           N  
-ATOM    235  NH2 ARG A  37      30.687 -18.782  -0.365  1.00 54.43           N  
-ATOM    236  N   PRO A  38      28.248 -24.191   3.588  1.00 37.21           N  
-ATOM    237  CA  PRO A  38      28.776 -25.543   3.760  1.00 37.97           C  
-ATOM    238  C   PRO A  38      30.299 -25.561   3.892  1.00 39.61           C  
-ATOM    239  O   PRO A  38      30.998 -25.106   3.004  1.00 40.14           O  
-ATOM    240  CB  PRO A  38      28.308 -26.250   2.485  1.00 37.88           C  
-ATOM    241  CG  PRO A  38      28.293 -25.157   1.484  1.00 36.64           C  
-ATOM    242  CD  PRO A  38      27.646 -24.040   2.251  1.00 35.43           C  
-ATOM    243  N   GLN A  39      30.802 -26.098   4.997  1.00 42.33           N  
-ATOM    244  CA  GLN A  39      32.247 -26.194   5.253  1.00 44.57           C  
-ATOM    245  C   GLN A  39      32.680 -27.585   4.855  1.00 43.84           C  
-ATOM    246  O   GLN A  39      33.269 -28.287   5.662  1.00 45.78           O  
-ATOM    247  CB  GLN A  39      32.516 -26.059   6.757  1.00 46.45           C  
-ATOM    248  CG  GLN A  39      31.579 -25.140   7.472  1.00 46.64           C  
-ATOM    249  CD  GLN A  39      31.664 -23.761   6.895  1.00 48.74           C  
-ATOM    250  OE1 GLN A  39      31.065 -23.474   5.853  1.00 46.94           O  
-ATOM    251  NE2 GLN A  39      32.449 -22.896   7.546  1.00 48.74           N  
-ATOM    252  N   ASN A  40      32.418 -28.007   3.636  1.00 44.43           N  
-ATOM    253  CA  ASN A  40      32.743 -29.391   3.320  1.00 46.10           C  
-ATOM    254  C   ASN A  40      32.517 -29.844   1.889  1.00 47.67           C  
-ATOM    255  O   ASN A  40      31.394 -30.078   1.447  1.00 47.65           O  
-ATOM    256  CB  ASN A  40      31.938 -30.308   4.252  1.00 48.40           C  
-ATOM    257  CG  ASN A  40      30.540 -29.719   4.616  1.00 46.66           C  
-ATOM    258  OD1 ASN A  40      29.712 -30.378   5.235  1.00 44.49           O  
-ATOM    259  ND2 ASN A  40      30.299 -28.480   4.227  1.00 46.20           N  
-ATOM    260  N   GLN A  41      33.615 -29.980   1.176  1.00 50.13           N  
-ATOM    261  CA  GLN A  41      33.605 -30.438  -0.189  1.00 52.40           C  
-ATOM    262  C   GLN A  41      33.459 -31.947  -0.077  1.00 52.83           C  
-ATOM    263  O   GLN A  41      34.139 -32.576   0.741  1.00 53.19           O  
-ATOM    264  CB  GLN A  41      34.930 -30.073  -0.835  1.00 56.06           C  
-ATOM    265  CG  GLN A  41      36.121 -30.341   0.097  1.00 61.12           C  
-ATOM    266  CD  GLN A  41      36.419 -29.217   1.093  1.00 62.17           C  
-ATOM    267  OE1 GLN A  41      35.563 -28.799   1.868  1.00 62.56           O  
-ATOM    268  NE2 GLN A  41      37.656 -28.735   1.074  1.00 64.74           N  
-ATOM    269  N   ASN A  42      32.546 -32.508  -0.868  1.00 52.95           N  
-ATOM    270  CA  ASN A  42      32.271 -33.941  -0.888  1.00 53.91           C  
-ATOM    271  C   ASN A  42      31.198 -34.249  -1.931  1.00 55.01           C  
-ATOM    272  O   ASN A  42      30.862 -33.395  -2.753  1.00 55.02           O  
-ATOM    273  CB  ASN A  42      31.814 -34.446   0.490  1.00 53.34           C  
-ATOM    274  CG  ASN A  42      30.570 -33.744   0.986  1.00 56.14           C  
-ATOM    275  OD1 ASN A  42      29.609 -33.562   0.237  1.00 55.64           O  
-ATOM    276  ND2 ASN A  42      30.573 -33.353   2.260  1.00 57.06           N  
-ATOM    277  N   ALA A  43      30.671 -35.474  -1.876  1.00 56.03           N  
-ATOM    278  CA  ALA A  43      29.656 -35.998  -2.800  1.00 55.11           C  
-ATOM    279  C   ALA A  43      28.408 -35.155  -3.058  1.00 55.44           C  
-ATOM    280  O   ALA A  43      27.645 -35.436  -3.974  1.00 54.69           O  
-ATOM    281  CB  ALA A  43      29.241 -37.388  -2.341  1.00 53.47           C  
-ATOM    282  N   CYS A  44      28.199 -34.118  -2.265  1.00 57.03           N  
-ATOM    283  CA  CYS A  44      27.022 -33.287  -2.435  1.00 57.69           C  
-ATOM    284  C   CYS A  44      27.286 -32.013  -3.201  1.00 59.31           C  
-ATOM    285  O   CYS A  44      27.770 -32.031  -4.338  1.00 60.39           O  
-ATOM    286  CB  CYS A  44      26.450 -32.965  -1.073  1.00 56.84           C  
-ATOM    287  SG  CYS A  44      26.153 -34.471  -0.170  1.00 59.11           S  
-ATOM    288  N   SER A  45      26.955 -30.892  -2.586  1.00 60.61           N  
-ATOM    289  CA  SER A  45      27.173 -29.636  -3.259  1.00 61.42           C  
-ATOM    290  C   SER A  45      27.293 -28.457  -2.329  1.00 60.37           C  
-ATOM    291  O   SER A  45      26.539 -28.300  -1.379  1.00 57.21           O  
-ATOM    292  CB  SER A  45      26.082 -29.405  -4.307  1.00 64.59           C  
-ATOM    293  OG  SER A  45      26.152 -30.403  -5.325  1.00 67.86           O  
-ATOM    294  N   SER A  46      28.289 -27.646  -2.654  1.00 61.33           N  
-ATOM    295  CA  SER A  46      28.686 -26.442  -1.950  1.00 61.83           C  
-ATOM    296  C   SER A  46      27.861 -25.184  -2.246  1.00 62.37           C  
-ATOM    297  O   SER A  46      26.943 -25.192  -3.068  1.00 63.64           O  
-ATOM    298  CB  SER A  46      30.141 -26.192  -2.309  1.00 62.63           C  
-ATOM    299  OG  SER A  46      30.362 -26.616  -3.651  1.00 58.52           O  
-ATOM    300  N   GLU A  47      28.213 -24.105  -1.550  1.00 63.26           N  
-ATOM    301  CA  GLU A  47      27.582 -22.779  -1.676  1.00 62.49           C  
-ATOM    302  C   GLU A  47      26.271 -22.448  -0.920  1.00 60.72           C  
-ATOM    303  O   GLU A  47      25.472 -23.307  -0.504  1.00 59.68           O  
-ATOM    304  CB  GLU A  47      27.383 -22.413  -3.157  1.00 64.26           C  
-ATOM    305  CG  GLU A  47      27.120 -20.927  -3.397  1.00 65.08           C  
-ATOM    306  CD  GLU A  47      28.340 -20.192  -3.930  1.00 66.95           C  
-ATOM    307  OE1 GLU A  47      28.335 -18.936  -3.942  1.00 65.93           O  
-ATOM    308  OE2 GLU A  47      29.300 -20.877  -4.352  1.00 67.24           O  
-ATOM    309  N   MET A  48      26.113 -21.140  -0.777  1.00 57.24           N  
-ATOM    310  CA  MET A  48      25.017 -20.442  -0.143  1.00 54.06           C  
-ATOM    311  C   MET A  48      23.623 -21.020  -0.303  1.00 52.85           C  
-ATOM    312  O   MET A  48      23.247 -21.512  -1.367  1.00 52.99           O  
-ATOM    313  CB  MET A  48      24.989 -19.018  -0.712  1.00 53.06           C  
-ATOM    314  CG  MET A  48      24.778 -17.902   0.276  1.00 51.37           C  
-ATOM    315  SD  MET A  48      26.103 -17.788   1.449  1.00 48.03           S  
-ATOM    316  CE  MET A  48      25.323 -18.643   2.777  1.00 48.17           C  
-ATOM    317  N   PHE A  49      22.857 -20.926   0.776  1.00 50.42           N  
-ATOM    318  CA  PHE A  49      21.460 -21.303   0.774  1.00 46.16           C  
-ATOM    319  C   PHE A  49      20.801 -20.713   2.009  1.00 43.69           C  
-ATOM    320  O   PHE A  49      21.355 -20.740   3.101  1.00 44.96           O  
-ATOM    321  CB  PHE A  49      21.272 -22.815   0.627  1.00 46.95           C  
-ATOM    322  CG  PHE A  49      21.254 -23.592   1.906  1.00 47.16           C  
-ATOM    323  CD1 PHE A  49      22.385 -23.701   2.696  1.00 46.68           C  
-ATOM    324  CD2 PHE A  49      20.136 -24.349   2.238  1.00 45.59           C  
-ATOM    325  CE1 PHE A  49      22.399 -24.573   3.799  1.00 48.24           C  
-ATOM    326  CE2 PHE A  49      20.151 -25.214   3.329  1.00 46.32           C  
-ATOM    327  CZ  PHE A  49      21.281 -25.331   4.110  1.00 44.74           C  
-ATOM    328  N   THR A  50      19.640 -20.113   1.796  1.00 40.22           N  
-ATOM    329  CA  THR A  50      18.897 -19.453   2.843  1.00 37.43           C  
-ATOM    330  C   THR A  50      17.664 -20.211   3.268  1.00 37.34           C  
-ATOM    331  O   THR A  50      16.930 -20.740   2.447  1.00 39.65           O  
-ATOM    332  CB  THR A  50      18.459 -18.080   2.381  1.00 36.87           C  
-ATOM    333  OG1 THR A  50      19.592 -17.374   1.866  1.00 34.02           O  
-ATOM    334  CG2 THR A  50      17.850 -17.300   3.539  1.00 36.39           C  
-ATOM    335  N   LEU A  51      17.421 -20.243   4.567  1.00 37.64           N  
-ATOM    336  CA  LEU A  51      16.262 -20.944   5.096  1.00 39.26           C  
-ATOM    337  C   LEU A  51      15.436 -20.093   6.064  1.00 39.66           C  
-ATOM    338  O   LEU A  51      15.952 -19.201   6.719  1.00 38.14           O  
-ATOM    339  CB  LEU A  51      16.730 -22.225   5.801  1.00 40.09           C  
-ATOM    340  CG  LEU A  51      16.278 -22.602   7.224  1.00 39.23           C  
-ATOM    341  CD1 LEU A  51      16.781 -24.011   7.460  1.00 40.92           C  
-ATOM    342  CD2 LEU A  51      16.807 -21.657   8.311  1.00 35.08           C  
-ATOM    343  N   ILE A  52      14.143 -20.368   6.139  1.00 41.46           N  
-ATOM    344  CA  ILE A  52      13.288 -19.661   7.074  1.00 44.07           C  
-ATOM    345  C   ILE A  52      13.688 -20.293   8.402  1.00 46.93           C  
-ATOM    346  O   ILE A  52      13.804 -21.515   8.483  1.00 47.73           O  
-ATOM    347  CB  ILE A  52      11.806 -19.958   6.782  1.00 43.13           C  
-ATOM    348  CG1 ILE A  52      11.436 -19.411   5.399  1.00 44.02           C  
-ATOM    349  CG2 ILE A  52      10.933 -19.364   7.863  1.00 42.78           C  
-ATOM    350  CD1 ILE A  52       9.960 -19.545   5.041  1.00 44.42           C  
-ATOM    351  N   CYS A  53      13.945 -19.502   9.436  1.00 49.10           N  
-ATOM    352  CA  CYS A  53      14.323 -20.128  10.706  1.00 51.31           C  
-ATOM    353  C   CYS A  53      13.274 -19.944  11.787  1.00 52.11           C  
-ATOM    354  O   CYS A  53      13.181 -20.748  12.709  1.00 52.50           O  
-ATOM    355  CB  CYS A  53      15.714 -19.654  11.204  1.00 51.59           C  
-ATOM    356  SG  CYS A  53      16.159 -17.884  11.080  1.00 53.36           S  
-ATOM    357  N   LYS A  54      12.464 -18.901  11.660  1.00 52.24           N  
-ATOM    358  CA  LYS A  54      11.422 -18.648  12.642  1.00 52.14           C  
-ATOM    359  C   LYS A  54      10.173 -18.096  11.967  1.00 51.32           C  
-ATOM    360  O   LYS A  54      10.257 -17.286  11.038  1.00 50.67           O  
-ATOM    361  CB  LYS A  54      11.913 -17.655  13.704  1.00 52.97           C  
-ATOM    362  CG  LYS A  54      11.873 -18.188  15.118  1.00 55.43           C  
-ATOM    363  CD  LYS A  54      12.638 -19.501  15.226  1.00 57.98           C  
-ATOM    364  CE  LYS A  54      13.015 -19.851  16.684  1.00 59.39           C  
-ATOM    365  NZ  LYS A  54      13.976 -21.010  16.757  1.00 58.80           N  
-ATOM    366  N   ILE A  55       9.018 -18.546  12.447  1.00 49.27           N  
-ATOM    367  CA  ILE A  55       7.755 -18.097  11.928  1.00 47.87           C  
-ATOM    368  C   ILE A  55       6.871 -17.623  13.056  1.00 47.48           C  
-ATOM    369  O   ILE A  55       6.663 -18.327  14.012  1.00 47.11           O  
-ATOM    370  CB  ILE A  55       7.074 -19.204  11.152  1.00 48.76           C  
-ATOM    371  CG1 ILE A  55       7.934 -19.528   9.930  1.00 51.80           C  
-ATOM    372  CG2 ILE A  55       5.672 -18.774  10.723  1.00 49.11           C  
-ATOM    373  CD1 ILE A  55       7.241 -20.355   8.851  1.00 53.59           C  
-ATOM    374  N   GLN A  56       6.371 -16.404  12.936  1.00 48.96           N  
-ATOM    375  CA  GLN A  56       5.515 -15.816  13.940  1.00 51.51           C  
-ATOM    376  C   GLN A  56       4.142 -16.433  13.811  1.00 53.42           C  
-ATOM    377  O   GLN A  56       3.573 -16.445  12.723  1.00 53.04           O  
-ATOM    378  CB  GLN A  56       5.429 -14.301  13.721  1.00 52.52           C  
-ATOM    379  CG  GLN A  56       5.918 -13.456  14.885  1.00 54.61           C  
-ATOM    380  CD  GLN A  56       7.384 -13.706  15.216  1.00 58.47           C  
-ATOM    381  OE1 GLN A  56       7.752 -13.873  16.388  1.00 57.62           O  
-ATOM    382  NE2 GLN A  56       8.234 -13.727  14.180  1.00 58.49           N  
-ATOM    383  N   GLU A  57       3.609 -16.963  14.910  1.00 56.15           N  
-ATOM    384  CA  GLU A  57       2.275 -17.568  14.865  1.00 58.06           C  
-ATOM    385  C   GLU A  57       1.265 -16.509  14.451  1.00 57.40           C  
-ATOM    386  O   GLU A  57       1.360 -15.358  14.877  1.00 57.92           O  
-ATOM    387  CB  GLU A  57       1.896 -18.144  16.234  1.00 60.67           C  
-ATOM    388  CG  GLU A  57       0.374 -18.381  16.482  1.00 64.39           C  
-ATOM    389  CD  GLU A  57      -0.299 -19.375  15.516  1.00 66.08           C  
-ATOM    390  OE1 GLU A  57       0.220 -20.498  15.323  1.00 65.60           O  
-ATOM    391  OE2 GLU A  57      -1.371 -19.035  14.964  1.00 65.71           O  
-ATOM    392  N   ASP A  58       0.321 -16.897  13.599  1.00 56.44           N  
-ATOM    393  CA  ASP A  58      -0.733 -15.994  13.123  1.00 55.90           C  
-ATOM    394  C   ASP A  58      -0.325 -14.965  12.059  1.00 54.64           C  
-ATOM    395  O   ASP A  58      -1.167 -14.464  11.325  1.00 53.92           O  
-ATOM    396  CB  ASP A  58      -1.386 -15.290  14.317  1.00 57.98           C  
-ATOM    397  CG  ASP A  58      -2.016 -16.276  15.306  1.00 60.37           C  
-ATOM    398  OD1 ASP A  58      -2.845 -17.115  14.880  1.00 58.97           O  
-ATOM    399  OD2 ASP A  58      -1.679 -16.209  16.511  1.00 61.91           O  
-ATOM    400  N   SER A  59       0.969 -14.664  11.979  1.00 54.34           N  
-ATOM    401  CA  SER A  59       1.526 -13.730  11.001  1.00 51.35           C  
-ATOM    402  C   SER A  59       1.175 -14.134   9.569  1.00 50.46           C  
-ATOM    403  O   SER A  59       0.865 -15.301   9.295  1.00 50.99           O  
-ATOM    404  CB  SER A  59       3.025 -13.745  11.115  1.00 51.31           C  
-ATOM    405  OG  SER A  59       3.472 -15.047  10.786  1.00 50.24           O  
-ATOM    406  N   PRO A  60       1.244 -13.181   8.624  1.00 49.39           N  
-ATOM    407  CA  PRO A  60       0.911 -13.546   7.242  1.00 49.45           C  
-ATOM    408  C   PRO A  60       1.706 -14.743   6.666  1.00 49.43           C  
-ATOM    409  O   PRO A  60       1.121 -15.638   6.045  1.00 49.68           O  
-ATOM    410  CB  PRO A  60       1.089 -12.223   6.468  1.00 48.04           C  
-ATOM    411  CG  PRO A  60       1.814 -11.303   7.417  1.00 47.45           C  
-ATOM    412  CD  PRO A  60       1.376 -11.722   8.774  1.00 47.98           C  
-ATOM    413  N   ALA A  61       3.018 -14.781   6.882  1.00 48.34           N  
-ATOM    414  CA  ALA A  61       3.820 -15.904   6.405  1.00 47.99           C  
-ATOM    415  C   ALA A  61       3.260 -17.213   6.927  1.00 48.20           C  
-ATOM    416  O   ALA A  61       3.252 -18.213   6.224  1.00 49.37           O  
-ATOM    417  CB  ALA A  61       5.249 -15.763   6.857  1.00 49.40           C  
-ATOM    418  N   HIS A  62       2.808 -17.220   8.175  1.00 50.44           N  
-ATOM    419  CA  HIS A  62       2.241 -18.439   8.732  1.00 52.21           C  
-ATOM    420  C   HIS A  62       0.998 -18.756   7.931  1.00 52.92           C  
-ATOM    421  O   HIS A  62       0.849 -19.868   7.402  1.00 53.29           O  
-ATOM    422  CB  HIS A  62       1.842 -18.282  10.202  1.00 53.65           C  
-ATOM    423  CG  HIS A  62       1.358 -19.561  10.825  1.00 56.86           C  
-ATOM    424  ND1 HIS A  62       0.487 -19.593  11.894  1.00 58.85           N  
-ATOM    425  CD2 HIS A  62       1.632 -20.856  10.528  1.00 57.07           C  
-ATOM    426  CE1 HIS A  62       0.246 -20.850  12.228  1.00 57.80           C  
-ATOM    427  NE2 HIS A  62       0.928 -21.637  11.415  1.00 56.69           N  
-ATOM    428  N   CYS A  63       0.105 -17.772   7.842  1.00 50.76           N  
-ATOM    429  CA  CYS A  63      -1.125 -17.961   7.093  1.00 50.34           C  
-ATOM    430  C   CYS A  63      -0.891 -18.396   5.635  1.00 48.49           C  
-ATOM    431  O   CYS A  63      -1.656 -19.176   5.087  1.00 48.94           O  
-ATOM    432  CB  CYS A  63      -1.969 -16.683   7.132  1.00 51.80           C  
-ATOM    433  SG  CYS A  63      -2.927 -16.451   8.661  1.00 56.41           S  
-ATOM    434  N   ALA A  64       0.163 -17.912   5.001  1.00 45.37           N  
-ATOM    435  CA  ALA A  64       0.382 -18.304   3.628  1.00 44.40           C  
-ATOM    436  C   ALA A  64       0.706 -19.789   3.533  1.00 44.37           C  
-ATOM    437  O   ALA A  64       0.579 -20.397   2.474  1.00 43.10           O  
-ATOM    438  CB  ALA A  64       1.501 -17.485   3.028  1.00 45.22           C  
-ATOM    439  N   GLY A  65       1.125 -20.373   4.645  1.00 43.56           N  
-ATOM    440  CA  GLY A  65       1.465 -21.774   4.625  1.00 43.71           C  
-ATOM    441  C   GLY A  65       2.960 -21.981   4.605  1.00 45.20           C  
-ATOM    442  O   GLY A  65       3.447 -22.974   4.073  1.00 44.58           O  
-ATOM    443  N   LEU A  66       3.699 -21.039   5.181  1.00 46.67           N  
-ATOM    444  CA  LEU A  66       5.157 -21.147   5.227  1.00 47.66           C  
-ATOM    445  C   LEU A  66       5.645 -21.840   6.490  1.00 48.29           C  
-ATOM    446  O   LEU A  66       5.105 -21.632   7.563  1.00 49.01           O  
-ATOM    447  CB  LEU A  66       5.786 -19.763   5.157  1.00 47.60           C  
-ATOM    448  CG  LEU A  66       5.770 -19.078   3.798  1.00 48.29           C  
-ATOM    449  CD1 LEU A  66       6.573 -17.767   3.898  1.00 48.63           C  
-ATOM    450  CD2 LEU A  66       6.379 -20.017   2.750  1.00 45.62           C  
-ATOM    451  N   GLN A  67       6.687 -22.645   6.389  1.00 48.97           N  
-ATOM    452  CA  GLN A  67       7.162 -23.306   7.593  1.00 49.71           C  
-ATOM    453  C   GLN A  67       8.659 -23.184   7.819  1.00 48.01           C  
-ATOM    454  O   GLN A  67       9.427 -23.142   6.865  1.00 48.62           O  
-ATOM    455  CB  GLN A  67       6.790 -24.777   7.549  1.00 52.61           C  
-ATOM    456  CG  GLN A  67       5.316 -25.055   7.437  1.00 53.71           C  
-ATOM    457  CD  GLN A  67       5.001 -26.472   7.859  1.00 54.91           C  
-ATOM    458  OE1 GLN A  67       4.989 -26.776   9.054  1.00 56.01           O  
-ATOM    459  NE2 GLN A  67       4.770 -27.358   6.885  1.00 55.27           N  
-ATOM    460  N   ALA A  68       9.075 -23.154   9.083  1.00 45.75           N  
-ATOM    461  CA  ALA A  68      10.500 -23.053   9.409  1.00 43.42           C  
-ATOM    462  C   ALA A  68      11.201 -24.304   8.910  1.00 41.63           C  
-ATOM    463  O   ALA A  68      10.888 -25.401   9.342  1.00 43.85           O  
-ATOM    464  CB  ALA A  68      10.689 -22.907  10.896  1.00 44.22           C  
-ATOM    465  N   GLY A  69      12.153 -24.120   8.006  1.00 39.03           N  
-ATOM    466  CA  GLY A  69      12.856 -25.224   7.412  1.00 36.94           C  
-ATOM    467  C   GLY A  69      12.736 -25.049   5.912  1.00 40.10           C  
-ATOM    468  O   GLY A  69      13.533 -25.602   5.137  1.00 38.90           O  
-ATOM    469  N   ASP A  70      11.729 -24.271   5.495  1.00 41.13           N  
-ATOM    470  CA  ASP A  70      11.486 -24.001   4.078  1.00 41.34           C  
-ATOM    471  C   ASP A  70      12.723 -23.358   3.454  1.00 40.93           C  
-ATOM    472  O   ASP A  70      13.312 -22.457   4.058  1.00 40.92           O  
-ATOM    473  CB  ASP A  70      10.303 -23.046   3.903  1.00 44.76           C  
-ATOM    474  CG  ASP A  70       8.965 -23.765   3.787  1.00 48.62           C  
-ATOM    475  OD1 ASP A  70       8.935 -24.818   3.109  1.00 51.72           O  
-ATOM    476  OD2 ASP A  70       7.945 -23.271   4.347  1.00 47.90           O  
-ATOM    477  N   VAL A  71      13.116 -23.802   2.256  1.00 38.79           N  
-ATOM    478  CA  VAL A  71      14.278 -23.213   1.607  1.00 39.75           C  
-ATOM    479  C   VAL A  71      13.918 -22.296   0.451  1.00 39.73           C  
-ATOM    480  O   VAL A  71      13.363 -22.725  -0.551  1.00 41.50           O  
-ATOM    481  CB  VAL A  71      15.261 -24.273   1.072  1.00 40.55           C  
-ATOM    482  CG1 VAL A  71      16.376 -23.576   0.267  1.00 39.21           C  
-ATOM    483  CG2 VAL A  71      15.876 -25.051   2.227  1.00 40.26           C  
-ATOM    484  N   LEU A  72      14.274 -21.029   0.596  1.00 37.84           N  
-ATOM    485  CA  LEU A  72      13.995 -20.009  -0.405  1.00 35.81           C  
-ATOM    486  C   LEU A  72      14.772 -20.150  -1.719  1.00 34.42           C  
-ATOM    487  O   LEU A  72      15.944 -19.816  -1.778  1.00 35.65           O  
-ATOM    488  CB  LEU A  72      14.263 -18.635   0.221  1.00 33.50           C  
-ATOM    489  CG  LEU A  72      13.107 -17.948   0.962  1.00 30.84           C  
-ATOM    490  CD1 LEU A  72      12.079 -18.911   1.463  1.00 27.97           C  
-ATOM    491  CD2 LEU A  72      13.688 -17.162   2.074  1.00 30.96           C  
-ATOM    492  N   ALA A  73      14.107 -20.618  -2.771  1.00 32.37           N  
-ATOM    493  CA  ALA A  73      14.744 -20.785  -4.084  1.00 32.22           C  
-ATOM    494  C   ALA A  73      14.343 -19.684  -5.063  1.00 31.42           C  
-ATOM    495  O   ALA A  73      15.127 -19.242  -5.891  1.00 31.80           O  
-ATOM    496  CB  ALA A  73      14.382 -22.122  -4.667  1.00 33.26           C  
-ATOM    497  N   ASN A  74      13.103 -19.238  -4.972  1.00 31.27           N  
-ATOM    498  CA  ASN A  74      12.660 -18.186  -5.854  1.00 27.84           C  
-ATOM    499  C   ASN A  74      11.862 -17.126  -5.179  1.00 25.50           C  
-ATOM    500  O   ASN A  74      10.916 -17.417  -4.463  1.00 26.26           O  
-ATOM    501  CB  ASN A  74      11.867 -18.764  -7.012  1.00 28.60           C  
-ATOM    502  CG  ASN A  74      12.760 -19.179  -8.149  1.00 31.64           C  
-ATOM    503  OD1 ASN A  74      13.475 -18.354  -8.699  1.00 34.18           O  
-ATOM    504  ND2 ASN A  74      12.740 -20.459  -8.503  1.00 30.80           N  
-ATOM    505  N   ILE A  75      12.261 -15.882  -5.383  1.00 23.51           N  
-ATOM    506  CA  ILE A  75      11.488 -14.801  -4.820  1.00 24.66           C  
-ATOM    507  C   ILE A  75      11.047 -13.900  -5.929  1.00 23.69           C  
-ATOM    508  O   ILE A  75      11.862 -13.444  -6.696  1.00 26.14           O  
-ATOM    509  CB  ILE A  75      12.262 -14.023  -3.814  1.00 25.34           C  
-ATOM    510  CG1 ILE A  75      12.329 -14.834  -2.509  1.00 26.73           C  
-ATOM    511  CG2 ILE A  75      11.580 -12.700  -3.594  1.00 27.73           C  
-ATOM    512  CD1 ILE A  75      13.481 -14.437  -1.600  1.00 24.71           C  
-ATOM    513  N   ASN A  76       9.749 -13.649  -6.007  1.00 22.92           N  
-ATOM    514  CA  ASN A  76       9.182 -12.822  -7.069  1.00 22.02           C  
-ATOM    515  C   ASN A  76       9.791 -13.141  -8.410  1.00 23.74           C  
-ATOM    516  O   ASN A  76      10.139 -12.228  -9.166  1.00 24.53           O  
-ATOM    517  CB  ASN A  76       9.393 -11.359  -6.782  1.00 20.12           C  
-ATOM    518  CG  ASN A  76       8.778 -10.947  -5.492  1.00 18.72           C  
-ATOM    519  OD1 ASN A  76       9.121  -9.922  -4.934  1.00 20.28           O  
-ATOM    520  ND2 ASN A  76       7.860 -11.746  -5.003  1.00 21.33           N  
-ATOM    521  N   GLY A  77       9.933 -14.436  -8.692  1.00 24.16           N  
-ATOM    522  CA  GLY A  77      10.474 -14.870  -9.967  1.00 27.95           C  
-ATOM    523  C   GLY A  77      11.974 -14.671 -10.066  1.00 30.59           C  
-ATOM    524  O   GLY A  77      12.566 -14.656 -11.143  1.00 31.71           O  
-ATOM    525  N   VAL A  78      12.607 -14.527  -8.922  1.00 30.27           N  
-ATOM    526  CA  VAL A  78      14.027 -14.318  -8.928  1.00 30.57           C  
-ATOM    527  C   VAL A  78      14.766 -15.457  -8.233  1.00 32.07           C  
-ATOM    528  O   VAL A  78      14.610 -15.675  -7.032  1.00 34.44           O  
-ATOM    529  CB  VAL A  78      14.348 -12.950  -8.288  1.00 28.52           C  
-ATOM    530  CG1 VAL A  78      15.823 -12.705  -8.278  1.00 29.09           C  
-ATOM    531  CG2 VAL A  78      13.650 -11.846  -9.088  1.00 28.84           C  
-ATOM    532  N   SER A  79      15.531 -16.218  -9.010  1.00 32.55           N  
-ATOM    533  CA  SER A  79      16.323 -17.298  -8.445  1.00 34.21           C  
-ATOM    534  C   SER A  79      17.282 -16.692  -7.403  1.00 36.69           C  
-ATOM    535  O   SER A  79      17.972 -15.683  -7.643  1.00 34.40           O  
-ATOM    536  CB  SER A  79      17.131 -18.013  -9.538  1.00 33.90           C  
-ATOM    537  OG  SER A  79      17.896 -19.060  -8.972  1.00 29.94           O  
-ATOM    538  N   THR A  80      17.343 -17.325  -6.248  1.00 38.24           N  
-ATOM    539  CA  THR A  80      18.177 -16.796  -5.205  1.00 42.21           C  
-ATOM    540  C   THR A  80      19.530 -17.424  -4.955  1.00 45.08           C  
-ATOM    541  O   THR A  80      20.141 -17.114  -3.931  1.00 45.79           O  
-ATOM    542  CB  THR A  80      17.431 -16.825  -3.886  1.00 40.89           C  
-ATOM    543  OG1 THR A  80      17.013 -18.172  -3.633  1.00 39.17           O  
-ATOM    544  CG2 THR A  80      16.221 -15.901  -3.933  1.00 38.52           C  
-ATOM    545  N   GLU A  81      20.050 -18.278  -5.831  1.00 48.64           N  
-ATOM    546  CA  GLU A  81      21.340 -18.831  -5.440  1.00 51.33           C  
-ATOM    547  C   GLU A  81      22.516 -17.920  -5.658  1.00 49.69           C  
-ATOM    548  O   GLU A  81      22.559 -17.134  -6.611  1.00 48.81           O  
-ATOM    549  CB  GLU A  81      21.661 -20.170  -6.083  1.00 57.16           C  
-ATOM    550  CG  GLU A  81      22.788 -20.837  -5.264  1.00 65.03           C  
-ATOM    551  CD  GLU A  81      23.636 -21.821  -6.055  1.00 70.17           C  
-ATOM    552  OE1 GLU A  81      23.108 -22.905  -6.422  1.00 73.32           O  
-ATOM    553  OE2 GLU A  81      24.829 -21.504  -6.307  1.00 70.95           O  
-ATOM    554  N   GLY A  82      23.486 -18.069  -4.763  1.00 47.95           N  
-ATOM    555  CA  GLY A  82      24.681 -17.252  -4.794  1.00 46.37           C  
-ATOM    556  C   GLY A  82      24.360 -15.974  -4.043  1.00 45.12           C  
-ATOM    557  O   GLY A  82      25.187 -15.089  -3.871  1.00 48.62           O  
-ATOM    558  N   PHE A  83      23.123 -15.876  -3.594  1.00 40.97           N  
-ATOM    559  CA  PHE A  83      22.682 -14.713  -2.866  1.00 36.27           C  
-ATOM    560  C   PHE A  83      23.252 -14.611  -1.464  1.00 33.42           C  
-ATOM    561  O   PHE A  83      23.253 -15.571  -0.700  1.00 32.50           O  
-ATOM    562  CB  PHE A  83      21.150 -14.724  -2.783  1.00 34.78           C  
-ATOM    563  CG  PHE A  83      20.468 -14.063  -3.948  1.00 31.70           C  
-ATOM    564  CD1 PHE A  83      21.009 -14.136  -5.225  1.00 29.80           C  
-ATOM    565  CD2 PHE A  83      19.247 -13.400  -3.769  1.00 31.43           C  
-ATOM    566  CE1 PHE A  83      20.342 -13.565  -6.317  1.00 28.84           C  
-ATOM    567  CE2 PHE A  83      18.572 -12.831  -4.844  1.00 28.55           C  
-ATOM    568  CZ  PHE A  83      19.122 -12.915  -6.123  1.00 28.69           C  
-ATOM    569  N   THR A  84      23.720 -13.426  -1.117  1.00 31.44           N  
-ATOM    570  CA  THR A  84      24.207 -13.195   0.239  1.00 28.78           C  
-ATOM    571  C   THR A  84      22.935 -12.893   1.042  1.00 26.79           C  
-ATOM    572  O   THR A  84      21.945 -12.458   0.468  1.00 25.13           O  
-ATOM    573  CB  THR A  84      25.064 -11.963   0.304  1.00 28.86           C  
-ATOM    574  OG1 THR A  84      24.246 -10.828  -0.004  1.00 31.84           O  
-ATOM    575  CG2 THR A  84      26.196 -12.033  -0.709  1.00 28.18           C  
-ATOM    576  N   TYR A  85      22.961 -13.143   2.350  1.00 25.96           N  
-ATOM    577  CA  TYR A  85      21.835 -12.868   3.246  1.00 25.06           C  
-ATOM    578  C   TYR A  85      21.186 -11.495   3.000  1.00 26.15           C  
-ATOM    579  O   TYR A  85      19.970 -11.373   2.972  1.00 25.65           O  
-ATOM    580  CB  TYR A  85      22.331 -12.883   4.681  1.00 27.85           C  
-ATOM    581  CG  TYR A  85      21.273 -12.675   5.736  1.00 29.46           C  
-ATOM    582  CD1 TYR A  85      20.653 -13.767   6.324  1.00 31.64           C  
-ATOM    583  CD2 TYR A  85      20.914 -11.410   6.170  1.00 28.04           C  
-ATOM    584  CE1 TYR A  85      19.703 -13.624   7.326  1.00 32.76           C  
-ATOM    585  CE2 TYR A  85      19.957 -11.245   7.182  1.00 31.59           C  
-ATOM    586  CZ  TYR A  85      19.355 -12.373   7.756  1.00 34.01           C  
-ATOM    587  OH  TYR A  85      18.401 -12.293   8.763  1.00 37.49           O  
-ATOM    588  N   LYS A  86      22.024 -10.473   2.840  1.00 26.08           N  
-ATOM    589  CA  LYS A  86      21.600  -9.107   2.616  1.00 27.37           C  
-ATOM    590  C   LYS A  86      20.884  -8.887   1.281  1.00 29.63           C  
-ATOM    591  O   LYS A  86      19.974  -8.048   1.184  1.00 29.07           O  
-ATOM    592  CB  LYS A  86      22.806  -8.186   2.721  1.00 29.16           C  
-ATOM    593  CG  LYS A  86      22.559  -6.771   2.241  1.00 31.02           C  
-ATOM    594  CD  LYS A  86      23.781  -5.930   2.438  1.00 34.39           C  
-ATOM    595  CE  LYS A  86      23.702  -4.648   1.646  1.00 35.69           C  
-ATOM    596  NZ  LYS A  86      22.401  -3.997   1.880  1.00 39.16           N  
-ATOM    597  N   GLN A  87      21.297  -9.607   0.238  1.00 29.44           N  
-ATOM    598  CA  GLN A  87      20.600  -9.483  -1.043  1.00 27.82           C  
-ATOM    599  C   GLN A  87      19.171 -10.013  -0.843  1.00 26.72           C  
-ATOM    600  O   GLN A  87      18.189  -9.354  -1.221  1.00 27.91           O  
-ATOM    601  CB  GLN A  87      21.330 -10.263  -2.138  1.00 25.57           C  
-ATOM    602  CG  GLN A  87      22.719  -9.721  -2.348  1.00 27.64           C  
-ATOM    603  CD  GLN A  87      23.475 -10.439  -3.424  1.00 26.18           C  
-ATOM    604  OE1 GLN A  87      23.683  -9.910  -4.527  1.00 24.64           O  
-ATOM    605  NE2 GLN A  87      23.893 -11.658  -3.117  1.00 26.64           N  
-ATOM    606  N   VAL A  88      19.058 -11.175  -0.219  1.00 22.99           N  
-ATOM    607  CA  VAL A  88      17.755 -11.751   0.031  1.00 24.71           C  
-ATOM    608  C   VAL A  88      16.908 -10.747   0.802  1.00 25.44           C  
-ATOM    609  O   VAL A  88      15.744 -10.537   0.474  1.00 25.29           O  
-ATOM    610  CB  VAL A  88      17.880 -13.074   0.831  1.00 24.79           C  
-ATOM    611  CG1 VAL A  88      16.514 -13.701   1.061  1.00 20.27           C  
-ATOM    612  CG2 VAL A  88      18.788 -14.023   0.074  1.00 21.63           C  
-ATOM    613  N   VAL A  89      17.493 -10.108   1.813  1.00 25.96           N  
-ATOM    614  CA  VAL A  89      16.752  -9.119   2.602  1.00 27.64           C  
-ATOM    615  C   VAL A  89      16.416  -7.848   1.763  1.00 30.31           C  
-ATOM    616  O   VAL A  89      15.293  -7.301   1.802  1.00 28.19           O  
-ATOM    617  CB  VAL A  89      17.537  -8.740   3.873  1.00 26.21           C  
-ATOM    618  CG1 VAL A  89      16.816  -7.653   4.611  1.00 29.88           C  
-ATOM    619  CG2 VAL A  89      17.646  -9.944   4.794  1.00 25.34           C  
-ATOM    620  N   ASP A  90      17.391  -7.378   0.998  1.00 29.99           N  
-ATOM    621  CA  ASP A  90      17.141  -6.228   0.178  1.00 29.22           C  
-ATOM    622  C   ASP A  90      16.020  -6.556  -0.836  1.00 31.34           C  
-ATOM    623  O   ASP A  90      15.109  -5.759  -1.049  1.00 32.80           O  
-ATOM    624  CB  ASP A  90      18.428  -5.792  -0.538  1.00 27.37           C  
-ATOM    625  CG  ASP A  90      19.458  -5.145   0.411  1.00 27.47           C  
-ATOM    626  OD1 ASP A  90      19.082  -4.704   1.502  1.00 25.91           O  
-ATOM    627  OD2 ASP A  90      20.654  -5.052   0.060  1.00 28.21           O  
-ATOM    628  N   LEU A  91      16.057  -7.726  -1.459  1.00 32.00           N  
-ATOM    629  CA  LEU A  91      15.020  -8.032  -2.432  1.00 32.31           C  
-ATOM    630  C   LEU A  91      13.656  -8.063  -1.751  1.00 32.39           C  
-ATOM    631  O   LEU A  91      12.709  -7.455  -2.248  1.00 32.66           O  
-ATOM    632  CB  LEU A  91      15.288  -9.377  -3.104  1.00 34.48           C  
-ATOM    633  CG  LEU A  91      14.748  -9.658  -4.513  1.00 35.54           C  
-ATOM    634  CD1 LEU A  91      15.078 -11.080  -4.832  1.00 37.37           C  
-ATOM    635  CD2 LEU A  91      13.250  -9.466  -4.627  1.00 38.90           C  
-ATOM    636  N   ILE A  92      13.546  -8.779  -0.628  1.00 30.67           N  
-ATOM    637  CA  ILE A  92      12.283  -8.840   0.105  1.00 27.90           C  
-ATOM    638  C   ILE A  92      11.761  -7.438   0.448  1.00 29.22           C  
-ATOM    639  O   ILE A  92      10.562  -7.203   0.363  1.00 32.19           O  
-ATOM    640  CB  ILE A  92      12.413  -9.662   1.414  1.00 28.33           C  
-ATOM    641  CG1 ILE A  92      12.662 -11.149   1.089  1.00 26.26           C  
-ATOM    642  CG2 ILE A  92      11.166  -9.445   2.284  1.00 21.60           C  
-ATOM    643  CD1 ILE A  92      12.885 -12.029   2.293  1.00 25.24           C  
-ATOM    644  N   ARG A  93      12.631  -6.510   0.848  1.00 28.93           N  
-ATOM    645  CA  ARG A  93      12.188  -5.137   1.124  1.00 29.73           C  
-ATOM    646  C   ARG A  93      11.837  -4.435  -0.203  1.00 28.99           C  
-ATOM    647  O   ARG A  93      11.070  -3.484  -0.251  1.00 28.93           O  
-ATOM    648  CB  ARG A  93      13.284  -4.346   1.803  1.00 33.91           C  
-ATOM    649  CG  ARG A  93      13.679  -4.831   3.185  1.00 41.77           C  
-ATOM    650  CD  ARG A  93      14.815  -3.950   3.695  1.00 45.72           C  
-ATOM    651  NE  ARG A  93      14.465  -2.530   3.617  1.00 47.24           N  
-ATOM    652  CZ  ARG A  93      13.639  -1.930   4.472  1.00 49.55           C  
-ATOM    653  NH1 ARG A  93      13.360  -0.635   4.338  1.00 48.05           N  
-ATOM    654  NH2 ARG A  93      13.106  -2.630   5.479  1.00 50.15           N  
-ATOM    655  N   SER A  94      12.408  -4.903  -1.294  1.00 27.41           N  
-ATOM    656  CA  SER A  94      12.094  -4.308  -2.568  1.00 28.48           C  
-ATOM    657  C   SER A  94      10.645  -4.646  -2.963  1.00 29.67           C  
-ATOM    658  O   SER A  94      10.113  -4.053  -3.904  1.00 30.49           O  
-ATOM    659  CB  SER A  94      13.059  -4.830  -3.654  1.00 27.93           C  
-ATOM    660  OG  SER A  94      12.618  -6.059  -4.230  1.00 26.50           O  
-ATOM    661  N   SER A  95      10.011  -5.569  -2.237  1.00 28.67           N  
-ATOM    662  CA  SER A  95       8.661  -6.009  -2.563  1.00 31.10           C  
-ATOM    663  C   SER A  95       7.482  -5.370  -1.874  1.00 30.78           C  
-ATOM    664  O   SER A  95       6.368  -5.867  -2.004  1.00 30.16           O  
-ATOM    665  CB  SER A  95       8.527  -7.521  -2.382  1.00 33.45           C  
-ATOM    666  OG  SER A  95       9.410  -8.212  -3.250  1.00 40.14           O  
-ATOM    667  N   GLY A  96       7.696  -4.296  -1.138  1.00 29.88           N  
-ATOM    668  CA  GLY A  96       6.565  -3.650  -0.517  1.00 30.70           C  
-ATOM    669  C   GLY A  96       5.793  -4.617   0.339  1.00 31.77           C  
-ATOM    670  O   GLY A  96       6.390  -5.408   1.060  1.00 34.13           O  
-ATOM    671  N   ASN A  97       4.472  -4.574   0.276  1.00 31.41           N  
-ATOM    672  CA  ASN A  97       3.687  -5.481   1.098  1.00 32.51           C  
-ATOM    673  C   ASN A  97       3.277  -6.761   0.391  1.00 32.38           C  
-ATOM    674  O   ASN A  97       2.407  -7.466   0.855  1.00 35.42           O  
-ATOM    675  CB  ASN A  97       2.447  -4.755   1.618  1.00 34.16           C  
-ATOM    676  CG  ASN A  97       2.798  -3.465   2.308  1.00 37.78           C  
-ATOM    677  OD1 ASN A  97       3.642  -3.455   3.216  1.00 38.98           O  
-ATOM    678  ND2 ASN A  97       2.166  -2.359   1.887  1.00 37.40           N  
-ATOM    679  N   LEU A  98       3.915  -7.080  -0.720  1.00 31.72           N  
-ATOM    680  CA  LEU A  98       3.561  -8.273  -1.473  1.00 30.24           C  
-ATOM    681  C   LEU A  98       4.799  -9.138  -1.650  1.00 30.07           C  
-ATOM    682  O   LEU A  98       5.909  -8.639  -1.788  1.00 32.94           O  
-ATOM    683  CB  LEU A  98       2.992  -7.850  -2.826  1.00 31.92           C  
-ATOM    684  CG  LEU A  98       2.486  -8.937  -3.760  1.00 34.60           C  
-ATOM    685  CD1 LEU A  98       1.583  -9.914  -3.006  1.00 37.37           C  
-ATOM    686  CD2 LEU A  98       1.743  -8.287  -4.889  1.00 34.42           C  
-ATOM    687  N   LEU A  99       4.630 -10.444  -1.644  1.00 30.21           N  
-ATOM    688  CA  LEU A  99       5.794 -11.304  -1.782  1.00 29.58           C  
-ATOM    689  C   LEU A  99       5.402 -12.655  -2.367  1.00 28.68           C  
-ATOM    690  O   LEU A  99       4.417 -13.242  -1.960  1.00 28.95           O  
-ATOM    691  CB  LEU A  99       6.423 -11.497  -0.399  1.00 29.55           C  
-ATOM    692  CG  LEU A  99       7.870 -11.961  -0.241  1.00 31.09           C  
-ATOM    693  CD1 LEU A  99       8.790 -10.842  -0.705  1.00 32.96           C  
-ATOM    694  CD2 LEU A  99       8.177 -12.276   1.227  1.00 30.75           C  
-ATOM    695  N   THR A 100       6.138 -13.138  -3.348  1.00 27.28           N  
-ATOM    696  CA  THR A 100       5.827 -14.451  -3.870  1.00 28.66           C  
-ATOM    697  C   THR A 100       7.066 -15.295  -3.651  1.00 28.47           C  
-ATOM    698  O   THR A 100       8.184 -14.873  -3.940  1.00 27.43           O  
-ATOM    699  CB  THR A 100       5.457 -14.456  -5.368  1.00 30.18           C  
-ATOM    700  OG1 THR A 100       4.165 -13.863  -5.554  1.00 30.04           O  
-ATOM    701  CG2 THR A 100       5.418 -15.898  -5.886  1.00 27.26           C  
-ATOM    702  N   ILE A 101       6.852 -16.504  -3.156  1.00 28.63           N  
-ATOM    703  CA  ILE A 101       7.955 -17.372  -2.840  1.00 28.59           C  
-ATOM    704  C   ILE A 101       7.825 -18.821  -3.246  1.00 29.88           C  
-ATOM    705  O   ILE A 101       6.863 -19.465  -2.895  1.00 30.75           O  
-ATOM    706  CB  ILE A 101       8.195 -17.383  -1.320  1.00 26.99           C  
-ATOM    707  CG1 ILE A 101       7.965 -16.001  -0.703  1.00 24.03           C  
-ATOM    708  CG2 ILE A 101       9.589 -17.808  -1.056  1.00 30.51           C  
-ATOM    709  CD1 ILE A 101       8.459 -15.878   0.751  1.00 19.91           C  
-ATOM    710  N   GLU A 102       8.804 -19.326  -3.985  1.00 33.35           N  
-ATOM    711  CA  GLU A 102       8.847 -20.740  -4.341  1.00 37.02           C  
-ATOM    712  C   GLU A 102       9.931 -21.328  -3.399  1.00 39.16           C  
-ATOM    713  O   GLU A 102      11.113 -20.986  -3.483  1.00 36.79           O  
-ATOM    714  CB  GLU A 102       9.245 -20.932  -5.804  1.00 38.42           C  
-ATOM    715  CG  GLU A 102       9.469 -22.394  -6.195  1.00 43.20           C  
-ATOM    716  CD  GLU A 102       9.590 -22.611  -7.709  1.00 49.07           C  
-ATOM    717  OE1 GLU A 102      10.396 -21.911  -8.375  1.00 50.94           O  
-ATOM    718  OE2 GLU A 102       8.877 -23.494  -8.239  1.00 51.23           O  
-ATOM    719  N   THR A 103       9.522 -22.202  -2.490  1.00 41.06           N  
-ATOM    720  CA  THR A 103      10.473 -22.762  -1.543  1.00 45.03           C  
-ATOM    721  C   THR A 103      10.934 -24.156  -1.845  1.00 48.22           C  
-ATOM    722  O   THR A 103      10.743 -24.679  -2.925  1.00 49.20           O  
-ATOM    723  CB  THR A 103       9.902 -22.867  -0.129  1.00 44.11           C  
-ATOM    724  OG1 THR A 103       9.037 -24.004  -0.076  1.00 41.09           O  
-ATOM    725  CG2 THR A 103       9.127 -21.615   0.257  1.00 46.03           C  
-ATOM    726  N   LEU A 104      11.528 -24.736  -0.808  1.00 53.13           N  
-ATOM    727  CA  LEU A 104      12.064 -26.099  -0.758  1.00 55.52           C  
-ATOM    728  C   LEU A 104      12.313 -26.424   0.727  1.00 56.01           C  
-ATOM    729  O   LEU A 104      13.495 -26.524   1.124  1.00 56.10           O  
-ATOM    730  CB  LEU A 104      13.378 -26.194  -1.522  1.00 55.58           C  
-ATOM    731  CG  LEU A 104      13.243 -26.197  -3.030  1.00 56.29           C  
-ATOM    732  CD1 LEU A 104      14.642 -26.092  -3.668  1.00 56.70           C  
-ATOM    733  CD2 LEU A 104      12.504 -27.474  -3.445  1.00 53.59           C  
-ATOM    734  OXT LEU A 104      11.321 -26.551   1.484  1.00 56.86           O  

Deleted: SwiftApps/modFTDock/input/3brt-2.pdb
===================================================================
--- SwiftApps/modFTDock/input/3brt-2.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/3brt-2.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,798 +0,0 @@
-ATOM      1  N   SER A 705     -11.087  -4.860  -7.336  1.00 36.93           N  
-ATOM      2  CA  SER A 705     -11.846  -3.574  -7.352  1.00 37.33           C  
-ATOM      3  C   SER A 705     -13.298  -3.783  -6.932  1.00 37.32           C  
-ATOM      4  O   SER A 705     -14.211  -3.490  -7.723  1.00 37.62           O  
-ATOM      5  CB  SER A 705     -11.807  -2.978  -8.760  1.00 37.28           C  
-ATOM      6  OG  SER A 705     -12.965  -2.193  -9.021  1.00 37.60           O  
-ATOM      7  N   GLU A 706     -13.549  -4.083  -5.656  1.00 37.05           N  
-ATOM      8  CA  GLU A 706     -13.004  -3.287  -4.561  1.00 36.64           C  
-ATOM      9  C   GLU A 706     -11.870  -3.811  -3.676  1.00 36.46           C  
-ATOM     10  O   GLU A 706     -11.799  -3.495  -2.486  1.00 36.03           O  
-ATOM     11  CB  GLU A 706     -14.181  -2.699  -3.731  1.00 36.78           C  
-ATOM     12  CG  GLU A 706     -14.982  -3.759  -2.894  1.00 35.83           C  
-ATOM     13  CD  GLU A 706     -14.619  -3.573  -1.370  1.00 34.91           C  
-ATOM     14  OE1 GLU A 706     -14.980  -4.510  -0.511  1.00 33.03           O  
-ATOM     15  OE2 GLU A 706     -13.996  -2.497  -1.017  1.00 31.72           O  
-ATOM     16  N   GLU A 707     -10.959  -4.578  -4.256  1.00 36.60           N  
-ATOM     17  CA  GLU A 707      -9.650  -4.729  -3.640  1.00 36.94           C  
-ATOM     18  C   GLU A 707      -8.986  -3.343  -3.710  1.00 37.41           C  
-ATOM     19  O   GLU A 707      -8.377  -2.890  -2.733  1.00 37.62           O  
-ATOM     20  CB  GLU A 707      -8.810  -5.722  -4.413  1.00 36.79           C  
-ATOM     21  CG  GLU A 707      -9.441  -7.086  -4.549  1.00 38.56           C  
-ATOM     22  CD  GLU A 707      -8.398  -8.174  -4.618  1.00 39.62           C  
-ATOM     23  OE1 GLU A 707      -8.512  -9.075  -5.494  1.00 41.09           O  
-ATOM     24  OE2 GLU A 707      -7.458  -8.115  -3.789  1.00 40.67           O  
-ATOM     25  N   LEU A 708      -9.121  -2.709  -4.884  1.00 36.94           N  
-ATOM     26  CA  LEU A 708      -8.653  -1.360  -5.164  1.00 37.53           C  
-ATOM     27  C   LEU A 708      -9.193  -0.357  -4.173  1.00 37.97           C  
-ATOM     28  O   LEU A 708      -8.415   0.371  -3.575  1.00 39.74           O  
-ATOM     29  CB  LEU A 708      -9.033  -0.909  -6.586  1.00 36.53           C  
-ATOM     30  CG  LEU A 708      -8.182  -1.498  -7.707  1.00 35.66           C  
-ATOM     31  CD1 LEU A 708      -8.632  -1.006  -9.066  1.00 33.92           C  
-ATOM     32  CD2 LEU A 708      -6.714  -1.185  -7.503  1.00 35.42           C  
-ATOM     33  N   VAL A 709     -10.513  -0.317  -4.011  1.00 37.32           N  
-ATOM     34  CA  VAL A 709     -11.154   0.629  -3.113  1.00 36.45           C  
-ATOM     35  C   VAL A 709     -10.698   0.436  -1.672  1.00 36.63           C  
-ATOM     36  O   VAL A 709     -10.607   1.388  -0.923  1.00 37.77           O  
-ATOM     37  CB  VAL A 709     -12.696   0.543  -3.223  1.00 36.38           C  
-ATOM     38  CG1 VAL A 709     -13.395   1.270  -2.077  1.00 34.44           C  
-ATOM     39  CG2 VAL A 709     -13.136   1.112  -4.566  1.00 36.14           C  
-ATOM     40  N   ALA A 710     -10.399  -0.790  -1.279  1.00 35.95           N  
-ATOM     41  CA  ALA A 710      -9.931  -1.042   0.079  1.00 35.27           C  
-ATOM     42  C   ALA A 710      -8.459  -0.688   0.180  1.00 34.67           C  
-ATOM     43  O   ALA A 710      -8.011  -0.195   1.196  1.00 34.47           O  
-ATOM     44  CB  ALA A 710     -10.161  -2.478   0.469  1.00 34.64           C  
-ATOM     45  N   GLU A 711      -7.715  -0.914  -0.898  1.00 34.71           N  
-ATOM     46  CA  GLU A 711      -6.291  -0.610  -0.913  1.00 35.08           C  
-ATOM     47  C   GLU A 711      -6.068   0.896  -0.863  1.00 34.53           C  
-ATOM     48  O   GLU A 711      -5.116   1.333  -0.272  1.00 34.81           O  
-ATOM     49  CB  GLU A 711      -5.595  -1.226  -2.136  1.00 35.65           C  
-ATOM     50  N   ALA A 712      -6.979   1.673  -1.429  1.00 33.62           N  
-ATOM     51  CA  ALA A 712      -6.828   3.104  -1.453  1.00 34.94           C  
-ATOM     52  C   ALA A 712      -7.088   3.710  -0.075  1.00 35.28           C  
-ATOM     53  O   ALA A 712      -6.362   4.642   0.316  1.00 35.89           O  
-ATOM     54  CB  ALA A 712      -7.696   3.773  -2.568  1.00 32.40           C  
-ATOM     55  N   HIS A 713      -8.084   3.195   0.656  1.00 34.99           N  
-ATOM     56  CA  HIS A 713      -8.430   3.741   1.983  1.00 35.79           C  
-ATOM     57  C   HIS A 713      -7.274   3.473   2.926  1.00 35.76           C  
-ATOM     58  O   HIS A 713      -6.949   4.303   3.764  1.00 37.63           O  
-ATOM     59  CB  HIS A 713      -9.782   3.195   2.493  1.00 36.73           C  
-ATOM     60  CG  HIS A 713      -9.955   3.213   3.984  1.00 37.67           C  
-ATOM     61  ND1 HIS A 713     -10.452   4.304   4.665  1.00 39.27           N  
-ATOM     62  CD2 HIS A 713      -9.763   2.244   4.917  1.00 38.34           C  
-ATOM     63  CE1 HIS A 713     -10.529   4.019   5.956  1.00 39.32           C  
-ATOM     64  NE2 HIS A 713     -10.109   2.778   6.136  1.00 38.10           N  
-ATOM     65  N   ASN A 714      -6.579   2.367   2.709  1.00 35.21           N  
-ATOM     66  CA  ASN A 714      -5.452   1.979   3.550  1.00 34.20           C  
-ATOM     67  C   ASN A 714      -4.202   2.745   3.251  1.00 33.60           C  
-ATOM     68  O   ASN A 714      -3.474   3.134   4.179  1.00 34.81           O  
-ATOM     69  CB  ASN A 714      -5.200   0.452   3.450  1.00 35.44           C  
-ATOM     70  N   LEU A 715      -3.940   2.965   1.955  1.00 32.55           N  
-ATOM     71  CA  LEU A 715      -2.873   3.860   1.482  1.00 29.83           C  
-ATOM     72  C   LEU A 715      -3.068   5.253   2.088  1.00 28.58           C  
-ATOM     73  O   LEU A 715      -2.133   5.862   2.582  1.00 27.18           O  
-ATOM     74  CB  LEU A 715      -2.573   3.724   0.400  0.00 58.34           C  
-ATOM     75  N   CYS A 716      -4.298   5.746   2.047  1.00 28.61           N  
-ATOM     76  CA  CYS A 716      -4.638   7.059   2.598  1.00 29.30           C  
-ATOM     77  C   CYS A 716      -4.429   7.151   4.096  1.00 29.57           C  
-ATOM     78  O   CYS A 716      -3.942   8.167   4.572  1.00 27.91           O  
-ATOM     79  CB  CYS A 716      -6.070   7.408   2.287  1.00 28.71           C  
-ATOM     80  SG  CYS A 716      -6.302   7.969   0.614  1.00 35.93           S  
-ATOM     81  N   THR A 717      -4.787   6.076   4.822  1.00 30.78           N  
-ATOM     82  CA  THR A 717      -4.619   6.036   6.286  1.00 32.48           C  
-ATOM     83  C   THR A 717      -3.156   6.115   6.728  1.00 33.15           C  
-ATOM     84  O   THR A 717      -2.807   6.836   7.645  1.00 32.30           O  
-ATOM     85  CB  THR A 717      -5.284   4.779   6.885  1.00 32.57           C  
-ATOM     86  OG1 THR A 717      -6.670   4.777   6.528  1.00 33.96           O  
-ATOM     87  CG2 THR A 717      -5.150   4.759   8.437  1.00 33.38           C  
-ATOM     88  N   LEU A 718      -2.329   5.340   6.050  1.00 35.68           N  
-ATOM     89  CA  LEU A 718      -0.873   5.340   6.143  1.00 38.35           C  
-ATOM     90  C   LEU A 718      -0.316   6.693   5.847  1.00 39.65           C  
-ATOM     91  O   LEU A 718       0.610   7.170   6.530  1.00 41.30           O  
-ATOM     92  CB  LEU A 718      -0.349   4.396   5.045  1.00 38.83           C  
-ATOM     93  CG  LEU A 718       1.026   3.716   5.059  1.00 44.29           C  
-ATOM     94  CD1 LEU A 718       1.387   3.111   3.681  1.00 45.43           C  
-ATOM     95  CD2 LEU A 718       2.058   4.754   5.436  1.00 49.22           C  
-ATOM     96  N   LEU A 719      -0.818   7.312   4.777  1.00 39.93           N  
-ATOM     97  CA  LEU A 719      -0.354   8.668   4.398  1.00 39.04           C  
-ATOM     98  C   LEU A 719      -0.658   9.624   5.535  1.00 39.84           C  
-ATOM     99  O   LEU A 719       0.228  10.415   5.897  1.00 41.39           O  
-ATOM    100  CB  LEU A 719      -1.042   9.170   3.104  1.00 38.89           C  
-ATOM    101  CG  LEU A 719      -0.737  10.625   2.656  1.00 38.05           C  
-ATOM    102  CD1 LEU A 719       0.719  10.793   2.418  1.00 33.70           C  
-ATOM    103  CD2 LEU A 719      -1.579  11.076   1.440  1.00 37.04           C  
-ATOM    104  N   GLU A 720      -1.883   9.582   6.077  1.00 39.88           N  
-ATOM    105  CA  GLU A 720      -2.297  10.590   7.098  1.00 42.16           C  
-ATOM    106  C   GLU A 720      -1.477  10.436   8.392  1.00 42.90           C  
-ATOM    107  O   GLU A 720      -1.079  11.421   9.007  1.00 42.27           O  
-ATOM    108  CB  GLU A 720      -3.762  10.460   7.460  1.00 41.33           C  
-ATOM    109  CG  GLU A 720      -4.700  10.323   6.291  1.00 44.33           C  
-ATOM    110  CD  GLU A 720      -6.150  10.279   6.743  1.00 50.66           C  
-ATOM    111  OE1 GLU A 720      -6.570  11.245   7.428  1.00 55.30           O  
-ATOM    112  OE2 GLU A 720      -6.881   9.292   6.445  1.00 53.05           O  
-ATOM    113  N   ASN A 721      -1.274   9.178   8.789  1.00 44.05           N  
-ATOM    114  CA  ASN A 721      -0.403   8.802   9.905  1.00 45.67           C  
-ATOM    115  C   ASN A 721       1.041   9.317   9.661  1.00 46.41           C  
-ATOM    116  O   ASN A 721       1.526  10.150  10.444  1.00 47.09           O  
-ATOM    117  CB  ASN A 721      -0.452   7.286  10.163  1.00 44.68           C  
-ATOM    118  CG  ASN A 721      -1.806   6.817  10.706  1.00 44.78           C  
-ATOM    119  OD1 ASN A 721      -2.459   5.974  10.093  1.00 45.81           O  
-ATOM    120  ND2 ASN A 721      -2.229   7.355  11.849  1.00 41.07           N  
-ATOM    121  N   ALA A 722       1.687   8.867   8.572  1.00 47.14           N  
-ATOM    122  CA  ALA A 722       3.044   9.349   8.194  1.00 48.36           C  
-ATOM    123  C   ALA A 722       3.173  10.852   8.281  1.00 48.95           C  
-ATOM    124  O   ALA A 722       4.075  11.333   8.912  1.00 50.31           O  
-ATOM    125  CB  ALA A 722       3.479   8.863   6.792  1.00 48.24           C  
-ATOM    126  N   ILE A 723       2.287  11.611   7.655  1.00 50.68           N  
-ATOM    127  CA  ILE A 723       2.394  13.082   7.746  1.00 51.32           C  
-ATOM    128  C   ILE A 723       2.144  13.583   9.144  1.00 52.16           C  
-ATOM    129  O   ILE A 723       2.686  14.616   9.544  1.00 52.23           O  
-ATOM    130  CB  ILE A 723       1.443  13.791   6.785  1.00 51.99           C  
-ATOM    131  CG1 ILE A 723       1.868  13.454   5.352  1.00 54.01           C  
-ATOM    132  CG2 ILE A 723       1.426  15.328   7.021  1.00 48.24           C  
-ATOM    133  CD1 ILE A 723       1.106  14.228   4.283  1.00 58.71           C  
-ATOM    134  N   GLN A 724       1.327  12.856   9.908  1.00 53.47           N  
-ATOM    135  CA  GLN A 724       1.000  13.332  11.254  1.00 54.05           C  
-ATOM    136  C   GLN A 724       2.218  13.279  12.182  1.00 53.10           C  
-ATOM    137  O   GLN A 724       2.475  14.221  12.930  1.00 52.85           O  
-ATOM    138  CB  GLN A 724      -0.242  12.650  11.822  1.00 54.81           C  
-ATOM    139  CG  GLN A 724      -1.425  13.663  12.097  1.00 59.14           C  
-ATOM    140  CD  GLN A 724      -1.509  14.852  11.085  1.00 62.99           C  
-ATOM    141  OE1 GLN A 724      -1.919  14.673   9.924  1.00 64.31           O  
-ATOM    142  NE2 GLN A 724      -1.137  16.066  11.542  1.00 61.40           N  
-ATOM    143  N   ASP A 725       2.986  12.206  12.058  1.00 51.79           N  
-ATOM    144  CA  ASP A 725       4.230  12.055  12.786  1.00 51.41           C  
-ATOM    145  C   ASP A 725       5.450  12.828  12.185  1.00 52.10           C  
-ATOM    146  O   ASP A 725       6.396  13.132  12.912  1.00 52.25           O  
-ATOM    147  CB  ASP A 725       4.543  10.566  12.938  1.00 50.98           C  
-ATOM    148  CG  ASP A 725       3.336   9.742  13.498  1.00 49.51           C  
-ATOM    149  OD1 ASP A 725       2.547  10.256  14.322  1.00 48.21           O  
-ATOM    150  OD2 ASP A 725       3.176   8.570  13.101  1.00 43.84           O  
-ATOM    151  N   THR A 726       5.453  13.106  10.874  1.00 52.22           N  
-ATOM    152  CA  THR A 726       6.405  14.060  10.278  1.00 53.02           C  
-ATOM    153  C   THR A 726       6.133  15.484  10.807  1.00 53.12           C  
-ATOM    154  O   THR A 726       7.021  16.147  11.358  1.00 53.78           O  
-ATOM    155  CB  THR A 726       6.328  14.038   8.737  1.00 53.32           C  
-ATOM    156  OG1 THR A 726       6.544  12.698   8.258  1.00 53.03           O  
-ATOM    157  CG2 THR A 726       7.350  14.965   8.130  1.00 54.06           C  
-ATOM    158  N   VAL A 727       4.886  15.928  10.676  1.00 53.67           N  
-ATOM    159  CA  VAL A 727       4.433  17.232  11.179  1.00 53.71           C  
-ATOM    160  C   VAL A 727       4.342  17.323  12.706  1.00 53.90           C  
-ATOM    161  O   VAL A 727       4.026  18.399  13.228  1.00 54.62           O  
-ATOM    162  CB  VAL A 727       3.043  17.618  10.560  1.00 53.90           C  
-ATOM    163  CG1 VAL A 727       2.473  18.922  11.177  1.00 54.44           C  
-ATOM    164  CG2 VAL A 727       3.153  17.759   9.053  1.00 54.28           C  
-ATOM    165  N   ARG A 728       4.591  16.224  13.431  1.00 53.45           N  
-ATOM    166  CA  ARG A 728       4.563  16.274  14.908  1.00 52.59           C  
-ATOM    167  C   ARG A 728       5.869  16.744  15.537  1.00 51.89           C  
-ATOM    168  O   ARG A 728       5.872  17.776  16.194  1.00 51.74           O  
-ATOM    169  CB  ARG A 728       4.132  14.940  15.526  1.00 53.42           C  
-ATOM    170  N   GLU A 729       6.958  15.987  15.329  1.00 51.17           N  
-ATOM    171  CA  GLU A 729       8.310  16.282  15.874  1.00 50.07           C  
-ATOM    172  C   GLU A 729       8.769  17.737  15.678  1.00 49.50           C  
-ATOM    173  O   GLU A 729       9.516  18.272  16.500  1.00 48.71           O  
-ATOM    174  CB  GLU A 729       9.957  16.049  16.530  0.00 65.19           C  
-ATOM    175  N   GLN A 730       8.314  18.345  14.575  1.00 48.86           N  
-ATOM    176  CA  GLN A 730       8.367  19.791  14.317  1.00 48.39           C  
-ATOM    177  C   GLN A 730       7.861  20.651  15.493  1.00 47.97           C  
-ATOM    178  O   GLN A 730       8.459  21.668  15.814  1.00 48.08           O  
-ATOM    179  CB  GLN A 730       7.565  20.092  13.046  1.00 48.54           C  
-ATOM    180  CG  GLN A 730       6.984  21.510  12.885  1.00 49.32           C  
-ATOM    181  CD  GLN A 730       5.493  21.511  12.475  1.00 50.07           C  
-ATOM    182  OE1 GLN A 730       5.141  21.808  11.331  1.00 49.31           O  
-ATOM    183  NE2 GLN A 730       4.622  21.165  13.418  1.00 49.96           N  
-ATOM    184  N   GLY A 731       6.762  20.233  16.120  1.00 47.66           N  
-ATOM    185  CA  GLY A 731       6.213  20.860  17.341  1.00 46.44           C  
-ATOM    186  C   GLY A 731       7.198  21.191  18.466  1.00 45.68           C  
-ATOM    187  O   GLY A 731       6.996  22.166  19.212  1.00 45.53           O  
-ATOM    188  N   ASN A 732       8.260  20.394  18.604  1.00 44.30           N  
-ATOM    189  CA  ASN A 732       9.324  20.739  19.555  1.00 43.12           C  
-ATOM    190  C   ASN A 732      10.521  21.442  18.852  1.00 41.70           C  
-ATOM    191  O   ASN A 732      11.520  20.846  18.435  1.00 41.33           O  
-ATOM    192  CB  ASN A 732       9.667  19.566  20.517  1.00 43.30           C  
-ATOM    193  CG  ASN A 732       8.876  18.274  20.196  1.00 42.95           C  
-ATOM    194  OD1 ASN A 732       7.655  18.198  20.390  1.00 39.23           O  
-ATOM    195  ND2 ASN A 732       9.585  17.265  19.691  1.00 42.75           N  
-ATOM    196  N   SER A 733      10.353  22.747  18.717  1.00 40.48           N  
-ATOM    197  CA  SER A 733      11.194  23.568  17.875  1.00 39.81           C  
-ATOM    198  C   SER A 733      12.282  24.175  18.734  1.00 39.04           C  
-ATOM    199  O   SER A 733      12.034  24.572  19.853  1.00 38.84           O  
-ATOM    200  CB  SER A 733      10.328  24.643  17.184  1.00 40.28           C  
-ATOM    201  OG  SER A 733      10.982  25.909  17.116  1.00 40.31           O  
-ATOM    202  N   MET A 734      13.494  24.225  18.208  1.00 37.96           N  
-ATOM    203  CA  MET A 734      14.612  24.787  18.915  1.00 37.49           C  
-ATOM    204  C   MET A 734      14.493  26.302  19.004  1.00 37.26           C  
-ATOM    205  O   MET A 734      15.295  26.962  19.636  1.00 37.34           O  
-ATOM    206  CB  MET A 734      15.912  24.371  18.254  1.00 37.39           C  
-ATOM    207  CG  MET A 734      16.257  22.896  18.424  1.00 36.10           C  
-ATOM    208  SD  MET A 734      17.776  22.431  17.521  1.00 38.49           S  
-ATOM    209  CE  MET A 734      19.091  23.219  18.491  1.00 34.05           C  
-ATOM    210  N   MET A 735      13.468  26.865  18.389  1.00 37.27           N  
-ATOM    211  CA  MET A 735      13.172  28.257  18.628  1.00 37.75           C  
-ATOM    212  C   MET A 735      12.745  28.510  20.091  1.00 37.38           C  
-ATOM    213  O   MET A 735      12.836  29.645  20.604  1.00 37.21           O  
-ATOM    214  CB  MET A 735      12.135  28.745  17.594  1.00 38.10           C  
-ATOM    215  CG  MET A 735      12.616  28.567  16.110  1.00 37.27           C  
-ATOM    216  SD  MET A 735      11.451  29.117  14.824  1.00 40.26           S  
-ATOM    217  CE  MET A 735      10.870  30.609  15.659  1.00 38.90           C  
-ATOM    218  N   ASN A 736      12.305  27.452  20.781  1.00 37.20           N  
-ATOM    219  CA  ASN A 736      11.817  27.604  22.164  1.00 37.05           C  
-ATOM    220  C   ASN A 736      12.910  27.468  23.186  1.00 36.95           C  
-ATOM    221  O   ASN A 736      12.589  27.465  24.393  1.00 37.96           O  
-ATOM    222  CB  ASN A 736      10.749  26.570  22.526  1.00 36.81           C  
-ATOM    223  CG  ASN A 736       9.526  26.695  21.693  1.00 38.46           C  
-ATOM    224  OD1 ASN A 736       8.967  27.787  21.533  1.00 41.95           O  
-ATOM    225  ND2 ASN A 736       9.077  25.577  21.155  1.00 40.96           N  
-ATOM    226  N   LEU A 737      14.156  27.254  22.750  1.00 35.39           N  
-ATOM    227  CA  LEU A 737      15.245  27.093  23.712  1.00 35.46           C  
-ATOM    228  C   LEU A 737      15.705  28.445  24.178  1.00 37.18           C  
-ATOM    229  O   LEU A 737      15.348  29.480  23.573  1.00 36.85           O  
-ATOM    230  CB  LEU A 737      16.416  26.346  23.118  1.00 35.01           C  
-ATOM    231  CG  LEU A 737      16.216  24.913  22.621  1.00 34.37           C  
-ATOM    232  CD1 LEU A 737      17.365  24.578  21.678  1.00 27.40           C  
-ATOM    233  CD2 LEU A 737      16.181  23.991  23.854  1.00 31.81           C  
-ATOM    234  N   ASP A 738      16.480  28.452  25.265  1.00 37.90           N  
-ATOM    235  CA  ASP A 738      17.114  29.672  25.713  1.00 38.68           C  
-ATOM    236  C   ASP A 738      18.353  30.010  24.896  1.00 37.71           C  
-ATOM    237  O   ASP A 738      19.417  29.422  25.107  1.00 37.52           O  
-ATOM    238  CB  ASP A 738      17.491  29.611  27.195  1.00 40.11           C  
-ATOM    239  CG  ASP A 738      18.061  30.945  27.706  1.00 44.01           C  
-ATOM    240  OD1 ASP A 738      17.472  32.017  27.396  1.00 44.57           O  
-ATOM    241  OD2 ASP A 738      19.114  30.918  28.404  1.00 49.55           O  
-ATOM    242  N   TRP A 739      18.217  31.006  24.015  1.00 36.08           N  
-ATOM    243  CA  TRP A 739      19.334  31.546  23.260  1.00 34.28           C  
-ATOM    244  C   TRP A 739      19.984  32.804  23.857  1.00 34.72           C  
-ATOM    245  O   TRP A 739      20.946  33.336  23.269  1.00 33.89           O  
-ATOM    246  CB  TRP A 739      18.839  31.836  21.853  1.00 35.06           C  
-ATOM    247  CG  TRP A 739      18.440  30.600  21.157  1.00 34.58           C  
-ATOM    248  CD1 TRP A 739      17.195  30.054  21.093  1.00 34.35           C  
-ATOM    249  CD2 TRP A 739      19.308  29.717  20.488  1.00 32.68           C  
-ATOM    250  NE1 TRP A 739      17.231  28.873  20.397  1.00 35.11           N  
-ATOM    251  CE2 TRP A 739      18.525  28.656  19.998  1.00 36.15           C  
-ATOM    252  CE3 TRP A 739      20.667  29.756  20.187  1.00 33.00           C  
-ATOM    253  CZ2 TRP A 739      19.063  27.632  19.225  1.00 35.51           C  
-ATOM    254  CZ3 TRP A 739      21.217  28.724  19.469  1.00 35.63           C  
-ATOM    255  CH2 TRP A 739      20.411  27.690  18.955  1.00 35.82           C  
-ATOM    256  N   SER A 740      19.498  33.257  25.032  1.00 33.85           N  
-ATOM    257  CA  SER A 740      19.946  34.503  25.666  1.00 32.82           C  
-ATOM    258  C   SER A 740      21.399  34.614  26.008  1.00 33.00           C  
-ATOM    259  O   SER A 740      21.877  35.719  26.154  1.00 33.67           O  
-ATOM    260  CB  SER A 740      19.109  34.853  26.908  1.00 34.03           C  
-ATOM    261  OG  SER A 740      19.299  33.903  27.959  1.00 33.65           O  
-ATOM    262  N   TRP A 741      22.117  33.502  26.117  1.00 34.05           N  
-ATOM    263  CA  TRP A 741      23.585  33.493  26.322  1.00 34.72           C  
-ATOM    264  C   TRP A 741      24.338  34.049  25.122  1.00 36.89           C  
-ATOM    265  O   TRP A 741      25.569  34.275  25.183  1.00 36.82           O  
-ATOM    266  CB  TRP A 741      24.089  32.075  26.574  1.00 34.45           C  
-ATOM    267  CG  TRP A 741      23.562  31.059  25.601  1.00 35.02           C  
-ATOM    268  CD1 TRP A 741      22.367  30.377  25.691  1.00 35.56           C  
-ATOM    269  CD2 TRP A 741      24.156  30.655  24.359  1.00 32.16           C  
-ATOM    270  NE1 TRP A 741      22.204  29.566  24.593  1.00 34.65           N  
-ATOM    271  CE2 TRP A 741      23.294  29.691  23.778  1.00 32.42           C  
-ATOM    272  CE3 TRP A 741      25.366  30.948  23.722  1.00 32.16           C  
-ATOM    273  CZ2 TRP A 741      23.589  29.046  22.568  1.00 34.61           C  
-ATOM    274  CZ3 TRP A 741      25.668  30.299  22.509  1.00 32.73           C  
-ATOM    275  CH2 TRP A 741      24.763  29.376  21.939  1.00 33.77           C  
-ATOM    276  N   LEU A 742      23.613  34.249  24.018  1.00 38.34           N  
-ATOM    277  CA  LEU A 742      24.160  34.945  22.855  1.00 40.13           C  
-ATOM    278  C   LEU A 742      24.254  36.417  23.151  1.00 41.89           C  
-ATOM    279  O   LEU A 742      25.150  37.087  22.682  1.00 42.64           O  
-ATOM    280  CB  LEU A 742      23.332  34.661  21.562  1.00 40.02           C  
-ATOM    281  CG  LEU A 742      23.722  33.310  20.881  1.00 38.72           C  
-ATOM    282  CD1 LEU A 742      22.863  32.827  19.679  1.00 40.20           C  
-ATOM    283  CD2 LEU A 742      25.114  33.400  20.432  1.00 35.68           C  
-ATOM    284  N   THR A 743      23.347  36.919  23.973  1.00 44.20           N  
-ATOM    285  CA  THR A 743      23.228  38.336  24.182  1.00 46.56           C  
-ATOM    286  C   THR A 743      23.617  38.731  25.606  1.00 47.43           C  
-ATOM    287  O   THR A 743      24.774  39.136  25.813  1.00 48.25           O  
-ATOM    288  CB  THR A 743      21.802  38.818  23.862  1.00 47.18           C  
-ATOM    289  OG1 THR A 743      20.848  37.862  24.358  1.00 49.50           O  
-ATOM    290  CG2 THR A 743      21.625  38.981  22.339  1.00 48.89           C  
-ATOM    292  N   GLU B  49     -29.122  -8.130 -13.110  1.00 58.57           N  
-ATOM    293  CA  GLU B  49     -28.972  -7.259 -14.310  1.00 58.79           C  
-ATOM    294  C   GLU B  49     -27.622  -6.505 -14.339  1.00 58.01           C  
-ATOM    295  O   GLU B  49     -27.141  -6.029 -13.315  1.00 57.14           O  
-ATOM    296  CB  GLU B  49     -30.190  -6.332 -14.485  1.00 59.08           C  
-ATOM    297  CG  GLU B  49     -29.899  -5.012 -15.220  1.00 61.30           C  
-ATOM    298  CD  GLU B  49     -31.002  -4.613 -16.199  1.00 63.63           C  
-ATOM    299  OE1 GLU B  49     -31.235  -5.344 -17.191  1.00 61.42           O  
-ATOM    300  OE2 GLU B  49     -31.610  -3.540 -15.991  1.00 66.47           O  
-ATOM    301  N   THR B  50     -27.031  -6.433 -15.536  1.00 57.60           N  
-ATOM    302  CA  THR B  50     -25.689  -5.892 -15.757  1.00 57.58           C  
-ATOM    303  C   THR B  50     -25.653  -4.366 -15.586  1.00 58.29           C  
-ATOM    304  O   THR B  50     -24.622  -3.818 -15.247  1.00 58.71           O  
-ATOM    305  CB  THR B  50     -25.144  -6.300 -17.184  1.00 57.99           C  
-ATOM    306  OG1 THR B  50     -25.325  -7.705 -17.386  1.00 53.90           O  
-ATOM    307  CG2 THR B  50     -23.630  -5.915 -17.386  1.00 56.21           C  
-ATOM    308  N   LEU B  51     -26.778  -3.691 -15.830  1.00 59.12           N  
-ATOM    309  CA  LEU B  51     -26.870  -2.241 -15.645  1.00 59.48           C  
-ATOM    310  C   LEU B  51     -26.794  -1.861 -14.150  1.00 60.12           C  
-ATOM    311  O   LEU B  51     -25.884  -1.135 -13.746  1.00 58.32           O  
-ATOM    312  CB  LEU B  51     -28.153  -1.676 -16.287  1.00 59.60           C  
-ATOM    313  CG  LEU B  51     -28.121  -0.369 -17.102  1.00 59.20           C  
-ATOM    314  CD1 LEU B  51     -29.497   0.283 -17.143  1.00 59.90           C  
-ATOM    315  CD2 LEU B  51     -27.122   0.595 -16.567  1.00 58.16           C  
-ATOM    316  N   GLN B  52     -27.727  -2.379 -13.337  1.00 61.09           N  
-ATOM    317  CA  GLN B  52     -27.767  -2.043 -11.895  1.00 62.01           C  
-ATOM    318  C   GLN B  52     -26.415  -2.307 -11.258  1.00 61.97           C  
-ATOM    319  O   GLN B  52     -25.959  -1.531 -10.426  1.00 61.49           O  
-ATOM    320  CB  GLN B  52     -28.871  -2.818 -11.162  1.00 62.11           C  
-ATOM    321  CG  GLN B  52     -30.244  -2.647 -11.818  1.00 64.57           C  
-ATOM    322  CD  GLN B  52     -31.225  -3.768 -11.507  1.00 66.86           C  
-ATOM    323  OE1 GLN B  52     -31.340  -4.207 -10.362  1.00 67.78           O  
-ATOM    324  NE2 GLN B  52     -31.956  -4.227 -12.532  1.00 67.30           N  
-ATOM    325  N   ARG B  53     -25.788  -3.407 -11.685  1.00 62.61           N  
-ATOM    326  CA  ARG B  53     -24.498  -3.872 -11.170  1.00 63.22           C  
-ATOM    327  C   ARG B  53     -23.392  -2.850 -11.405  1.00 62.81           C  
-ATOM    328  O   ARG B  53     -22.575  -2.586 -10.529  1.00 61.67           O  
-ATOM    329  CB  ARG B  53     -24.127  -5.206 -11.842  1.00 63.18           C  
-ATOM    330  CG  ARG B  53     -23.070  -6.060 -11.110  1.00 63.64           C  
-ATOM    331  CD  ARG B  53     -22.797  -7.371 -11.887  1.00 64.99           C  
-ATOM    332  NE  ARG B  53     -21.425  -7.431 -12.423  1.00 68.53           N  
-ATOM    333  CZ  ARG B  53     -21.068  -7.369 -13.714  1.00 68.13           C  
-ATOM    334  NH1 ARG B  53     -21.959  -7.239 -14.696  1.00 65.90           N  
-ATOM    335  NH2 ARG B  53     -19.780  -7.440 -14.023  1.00 68.01           N  
-ATOM    336  N   CYS B  54     -23.394  -2.302 -12.613  1.00 63.22           N  
-ATOM    337  CA  CYS B  54     -22.391  -1.369 -13.104  1.00 63.58           C  
-ATOM    338  C   CYS B  54     -22.515  -0.006 -12.522  1.00 62.00           C  
-ATOM    339  O   CYS B  54     -21.513   0.632 -12.213  1.00 61.60           O  
-ATOM    340  CB  CYS B  54     -22.594  -1.191 -14.583  1.00 63.77           C  
-ATOM    341  SG  CYS B  54     -21.273  -1.837 -15.417  1.00 72.50           S  
-ATOM    342  N   LEU B  55     -23.758   0.455 -12.461  1.00 60.54           N  
-ATOM    343  CA  LEU B  55     -24.097   1.710 -11.847  1.00 59.74           C  
-ATOM    344  C   LEU B  55     -23.725   1.685 -10.366  1.00 58.91           C  
-ATOM    345  O   LEU B  55     -23.172   2.647  -9.849  1.00 59.75           O  
-ATOM    346  CB  LEU B  55     -25.579   2.005 -12.029  1.00 59.43           C  
-ATOM    347  CG  LEU B  55     -25.987   2.427 -13.435  1.00 59.01           C  
-ATOM    348  CD1 LEU B  55     -27.474   2.328 -13.547  1.00 61.78           C  
-ATOM    349  CD2 LEU B  55     -25.546   3.843 -13.682  1.00 59.46           C  
-ATOM    350  N   GLU B  56     -23.983   0.577  -9.691  1.00 57.34           N  
-ATOM    351  CA  GLU B  56     -23.623   0.500  -8.276  1.00 56.25           C  
-ATOM    352  C   GLU B  56     -22.090   0.545  -8.088  1.00 55.09           C  
-ATOM    353  O   GLU B  56     -21.615   1.187  -7.166  1.00 54.87           O  
-ATOM    354  CB  GLU B  56     -24.275  -0.692  -7.554  1.00 55.07           C  
-ATOM    355  N   GLU B  57     -21.329  -0.091  -8.984  1.00 53.52           N  
-ATOM    356  CA  GLU B  57     -19.883  -0.052  -8.869  1.00 52.58           C  
-ATOM    357  C   GLU B  57     -19.308   1.310  -9.331  1.00 50.90           C  
-ATOM    358  O   GLU B  57     -18.181   1.669  -9.005  1.00 50.79           O  
-ATOM    359  CB  GLU B  57     -19.251  -1.194  -9.663  1.00 52.22           C  
-ATOM    360  CG  GLU B  57     -17.805  -1.432  -9.250  1.00 54.92           C  
-ATOM    361  CD  GLU B  57     -16.925  -1.977 -10.359  1.00 59.04           C  
-ATOM    362  OE1 GLU B  57     -17.497  -2.468 -11.372  1.00 61.71           O  
-ATOM    363  OE2 GLU B  57     -15.664  -1.933 -10.201  1.00 57.84           O  
-ATOM    364  N   ASN B  58     -20.088   2.033 -10.126  1.00 49.94           N  
-ATOM    365  CA  ASN B  58     -19.723   3.340 -10.611  1.00 49.69           C  
-ATOM    366  C   ASN B  58     -19.796   4.334  -9.467  1.00 48.02           C  
-ATOM    367  O   ASN B  58     -18.897   5.099  -9.289  1.00 49.44           O  
-ATOM    368  CB  ASN B  58     -20.675   3.784 -11.693  1.00 49.49           C  
-ATOM    369  CG  ASN B  58     -20.174   4.986 -12.407  1.00 52.99           C  
-ATOM    370  OD1 ASN B  58     -19.209   4.903 -13.167  1.00 58.17           O  
-ATOM    371  ND2 ASN B  58     -20.805   6.132 -12.169  1.00 55.35           N  
-ATOM    372  N   GLN B  59     -20.877   4.293  -8.693  1.00 47.21           N  
-ATOM    373  CA  GLN B  59     -21.043   5.112  -7.497  1.00 45.63           C  
-ATOM    374  C   GLN B  59     -19.976   4.807  -6.484  1.00 44.51           C  
-ATOM    375  O   GLN B  59     -19.348   5.731  -5.994  1.00 45.62           O  
-ATOM    376  CB  GLN B  59     -22.434   4.899  -6.883  1.00 46.37           C  
-ATOM    377  CG  GLN B  59     -22.837   5.926  -5.839  1.00 47.98           C  
-ATOM    378  CD  GLN B  59     -22.860   7.356  -6.377  1.00 49.96           C  
-ATOM    379  OE1 GLN B  59     -21.946   8.155  -6.104  1.00 54.16           O  
-ATOM    380  NE2 GLN B  59     -23.901   7.688  -7.134  1.00 49.45           N  
-ATOM    381  N   GLU B  60     -19.722   3.532  -6.182  1.00 42.66           N  
-ATOM    382  CA  GLU B  60     -18.657   3.196  -5.202  1.00 41.32           C  
-ATOM    383  C   GLU B  60     -17.259   3.617  -5.621  1.00 40.00           C  
-ATOM    384  O   GLU B  60     -16.481   4.002  -4.801  1.00 40.04           O  
-ATOM    385  CB  GLU B  60     -18.635   1.708  -4.847  1.00 41.84           C  
-ATOM    386  N   LEU B  61     -16.927   3.524  -6.901  1.00 39.35           N  
-ATOM    387  CA  LEU B  61     -15.627   3.975  -7.348  1.00 37.75           C  
-ATOM    388  C   LEU B  61     -15.622   5.516  -7.312  1.00 38.13           C  
-ATOM    389  O   LEU B  61     -14.588   6.082  -7.055  1.00 35.53           O  
-ATOM    390  CB  LEU B  61     -15.253   3.481  -8.750  1.00 37.65           C  
-ATOM    391  CG  LEU B  61     -14.881   2.008  -9.028  1.00 37.31           C  
-ATOM    392  CD1 LEU B  61     -15.215   1.595 -10.456  1.00 33.57           C  
-ATOM    393  CD2 LEU B  61     -13.407   1.726  -8.701  1.00 35.36           C  
-ATOM    394  N   ARG B  62     -16.765   6.166  -7.577  1.00 38.55           N  
-ATOM    395  CA  ARG B  62     -16.829   7.647  -7.494  1.00 38.84           C  
-ATOM    396  C   ARG B  62     -16.754   8.159  -6.061  1.00 39.01           C  
-ATOM    397  O   ARG B  62     -16.309   9.265  -5.856  1.00 39.20           O  
-ATOM    398  CB  ARG B  62     -18.048   8.239  -8.198  1.00 38.99           C  
-ATOM    399  CG  ARG B  62     -18.125   7.885  -9.674  1.00 41.44           C  
-ATOM    400  CD  ARG B  62     -19.448   8.300 -10.266  1.00 45.20           C  
-ATOM    401  NE  ARG B  62     -19.331   9.618 -10.872  1.00 48.90           N  
-ATOM    402  CZ  ARG B  62     -19.730   9.950 -12.097  1.00 52.70           C  
-ATOM    403  NH1 ARG B  62     -20.347   9.078 -12.906  1.00 49.14           N  
-ATOM    404  NH2 ARG B  62     -19.528  11.199 -12.505  1.00 54.47           N  
-ATOM    405  N   ASP B  63     -17.159   7.336  -5.090  1.00 39.65           N  
-ATOM    406  CA  ASP B  63     -17.064   7.668  -3.660  1.00 39.58           C  
-ATOM    407  C   ASP B  63     -15.649   7.434  -3.159  1.00 38.66           C  
-ATOM    408  O   ASP B  63     -15.178   8.136  -2.298  1.00 38.68           O  
-ATOM    409  CB  ASP B  63     -18.003   6.792  -2.808  1.00 40.22           C  
-ATOM    410  CG  ASP B  63     -19.495   6.967  -3.149  1.00 43.46           C  
-ATOM    411  OD1 ASP B  63     -19.849   8.049  -3.688  1.00 46.59           O  
-ATOM    412  OD2 ASP B  63     -20.314   6.015  -2.868  1.00 44.98           O  
-ATOM    413  N   ALA B  64     -14.972   6.425  -3.683  1.00 38.16           N  
-ATOM    414  CA  ALA B  64     -13.609   6.170  -3.285  1.00 38.07           C  
-ATOM    415  C   ALA B  64     -12.728   7.322  -3.744  1.00 39.00           C  
-ATOM    416  O   ALA B  64     -11.904   7.816  -2.983  1.00 39.47           O  
-ATOM    417  CB  ALA B  64     -13.110   4.839  -3.894  1.00 38.17           C  
-ATOM    418  N   ILE B  65     -12.922   7.763  -4.988  1.00 38.99           N  
-ATOM    419  CA  ILE B  65     -12.178   8.877  -5.544  1.00 40.32           C  
-ATOM    420  C   ILE B  65     -12.447  10.284  -4.932  1.00 38.74           C  
-ATOM    421  O   ILE B  65     -11.513  11.012  -4.689  1.00 39.64           O  
-ATOM    422  CB  ILE B  65     -12.395   8.935  -7.063  1.00 41.09           C  
-ATOM    423  CG1 ILE B  65     -11.483   7.929  -7.730  1.00 44.05           C  
-ATOM    424  CG2 ILE B  65     -11.969  10.322  -7.589  1.00 40.88           C  
-ATOM    425  CD1 ILE B  65     -10.005   8.434  -7.688  1.00 46.45           C  
-ATOM    426  N   ARG B  66     -13.691  10.686  -4.708  1.00 39.21           N  
-ATOM    427  CA  ARG B  66     -13.955  11.973  -4.020  1.00 41.01           C  
-ATOM    428  C   ARG B  66     -13.300  12.033  -2.637  1.00 40.17           C  
-ATOM    429  O   ARG B  66     -12.782  13.079  -2.223  1.00 42.59           O  
-ATOM    430  CB  ARG B  66     -15.454  12.310  -3.893  1.00 40.29           C  
-ATOM    431  CG  ARG B  66     -16.256  11.927  -5.123  1.00 41.66           C  
-ATOM    432  CD  ARG B  66     -17.739  12.383  -5.123  1.00 43.35           C  
-ATOM    433  NE  ARG B  66     -18.629  11.419  -5.834  1.00 47.49           N  
-ATOM    434  CZ  ARG B  66     -19.367  11.707  -6.920  1.00 50.36           C  
-ATOM    435  NH1 ARG B  66     -19.343  12.935  -7.452  1.00 51.94           N  
-ATOM    436  NH2 ARG B  66     -20.172  10.776  -7.463  1.00 51.24           N  
-ATOM    437  N   GLN B  67     -13.306  10.916  -1.937  1.00 40.36           N  
-ATOM    438  CA  GLN B  67     -12.866  10.879  -0.536  1.00 39.77           C  
-ATOM    439  C   GLN B  67     -11.373  10.943  -0.510  1.00 39.37           C  
-ATOM    440  O   GLN B  67     -10.812  11.791   0.117  1.00 40.39           O  
-ATOM    441  CB  GLN B  67     -13.364   9.591   0.148  1.00 39.87           C  
-ATOM    442  N   SER B  68     -10.720  10.068  -1.258  1.00 38.88           N  
-ATOM    443  CA  SER B  68      -9.278  10.125  -1.414  1.00 37.67           C  
-ATOM    444  C   SER B  68      -8.766  11.518  -1.911  1.00 37.13           C  
-ATOM    445  O   SER B  68      -7.726  12.022  -1.466  1.00 37.27           O  
-ATOM    446  CB  SER B  68      -8.931   9.071  -2.417  1.00 37.80           C  
-ATOM    447  OG  SER B  68      -7.559   9.106  -2.635  1.00 44.49           O  
-ATOM    448  N   ASN B  69      -9.497  12.136  -2.831  1.00 34.44           N  
-ATOM    449  CA  ASN B  69      -9.172  13.473  -3.257  1.00 34.09           C  
-ATOM    450  C   ASN B  69      -9.268  14.478  -2.108  1.00 34.36           C  
-ATOM    451  O   ASN B  69      -8.402  15.303  -1.961  1.00 32.33           O  
-ATOM    452  CB  ASN B  69     -10.080  13.927  -4.388  1.00 34.17           C  
-ATOM    453  CG  ASN B  69      -9.705  13.303  -5.736  1.00 35.26           C  
-ATOM    454  OD1 ASN B  69      -8.718  12.584  -5.850  1.00 37.69           O  
-ATOM    455  ND2 ASN B  69     -10.514  13.579  -6.754  1.00 30.06           N  
-ATOM    456  N   GLN B  70     -10.323  14.402  -1.303  1.00 35.32           N  
-ATOM    457  CA  GLN B  70     -10.401  15.265  -0.144  1.00 36.65           C  
-ATOM    458  C   GLN B  70      -9.158  15.119   0.744  1.00 36.34           C  
-ATOM    459  O   GLN B  70      -8.545  16.121   1.123  1.00 36.48           O  
-ATOM    460  CB  GLN B  70     -11.672  15.032   0.647  1.00 36.92           C  
-ATOM    461  CG  GLN B  70     -11.765  16.008   1.831  1.00 43.76           C  
-ATOM    462  CD  GLN B  70     -12.978  15.721   2.695  1.00 52.83           C  
-ATOM    463  OE1 GLN B  70     -14.036  15.228   2.200  1.00 55.76           O  
-ATOM    464  NE2 GLN B  70     -12.854  16.018   3.997  1.00 55.40           N  
-ATOM    465  N   ILE B  71A     -8.746  13.878   1.020  1.00 36.81           N  
-ATOM    466  CA  ILE B  71A     -7.597  13.628   1.888  1.00 35.97           C  
-ATOM    467  C   ILE B  71A     -6.334  14.174   1.287  1.00 36.85           C  
-ATOM    468  O   ILE B  71A     -5.575  14.801   1.979  1.00 39.24           O  
-ATOM    469  CB  ILE B  71A     -7.399  12.114   2.180  1.00 35.45           C  
-ATOM    470  CG1 ILE B  71A     -8.380  11.612   3.247  1.00 33.91           C  
-ATOM    471  CG2 ILE B  71A     -6.010  11.844   2.677  1.00 33.65           C  
-ATOM    472  CD1 ILE B  71A     -8.968  10.102   2.925  1.00 35.17           C  
-ATOM    473  N   LEU B  72      -6.073  13.897   0.013  1.00 38.04           N  
-ATOM    474  CA  LEU B  72      -4.914  14.448  -0.700  1.00 37.59           C  
-ATOM    475  C   LEU B  72      -4.944  15.957  -0.709  1.00 38.01           C  
-ATOM    476  O   LEU B  72      -3.901  16.571  -0.584  1.00 38.19           O  
-ATOM    477  CB  LEU B  72      -4.841  13.943  -2.157  1.00 36.39           C  
-ATOM    478  CG  LEU B  72      -4.532  12.447  -2.277  1.00 38.64           C  
-ATOM    479  CD1 LEU B  72      -4.520  11.913  -3.704  1.00 34.29           C  
-ATOM    480  CD2 LEU B  72      -3.240  12.152  -1.595  1.00 34.41           C  
-ATOM    481  N   ARG B  73      -6.103  16.587  -0.851  1.00 37.54           N  
-ATOM    482  CA  ARG B  73      -5.973  18.012  -0.765  1.00 38.67           C  
-ATOM    483  C   ARG B  73      -5.660  18.539   0.669  1.00 37.38           C  
-ATOM    484  O   ARG B  73      -4.766  19.377   0.808  1.00 37.41           O  
-ATOM    485  CB  ARG B  73      -6.853  18.811  -1.763  1.00 39.66           C  
-ATOM    486  CG  ARG B  73      -8.036  19.650  -1.372  1.00 42.60           C  
-ATOM    487  CD  ARG B  73      -9.192  19.238  -2.360  1.00 45.48           C  
-ATOM    488  NE  ARG B  73      -8.995  19.725  -3.727  1.00 46.42           N  
-ATOM    489  CZ  ARG B  73      -9.646  19.272  -4.808  1.00 47.19           C  
-ATOM    490  NH1 ARG B  73     -10.541  18.286  -4.718  1.00 47.69           N  
-ATOM    491  NH2 ARG B  73      -9.372  19.783  -6.001  1.00 44.41           N  
-ATOM    492  N   GLU B  74      -6.215  17.891   1.707  1.00 35.54           N  
-ATOM    493  CA  GLU B  74      -5.843  18.209   3.097  1.00 34.95           C  
-ATOM    494  C   GLU B  74      -4.355  17.900   3.385  1.00 34.07           C  
-ATOM    495  O   GLU B  74      -3.645  18.728   3.930  1.00 32.09           O  
-ATOM    496  CB  GLU B  74      -6.796  17.541   4.124  1.00 34.72           C  
-ATOM    497  N   ARG B  75      -3.880  16.724   2.960  1.00 32.89           N  
-ATOM    498  CA  ARG B  75      -2.491  16.327   3.204  1.00 32.16           C  
-ATOM    499  C   ARG B  75      -1.460  17.202   2.498  1.00 32.09           C  
-ATOM    500  O   ARG B  75      -0.414  17.470   3.065  1.00 30.55           O  
-ATOM    501  CB  ARG B  75      -2.256  14.889   2.734  1.00 32.87           C  
-ATOM    502  CG  ARG B  75      -2.067  13.851   3.792  1.00 35.04           C  
-ATOM    503  CD  ARG B  75      -3.253  13.626   4.645  1.00 35.44           C  
-ATOM    504  NE  ARG B  75      -3.129  14.391   5.860  1.00 39.19           N  
-ATOM    505  CZ  ARG B  75      -4.148  14.677   6.643  1.00 41.81           C  
-ATOM    506  NH1 ARG B  75      -5.362  14.260   6.326  1.00 44.44           N  
-ATOM    507  NH2 ARG B  75      -3.940  15.388   7.732  1.00 46.76           N  
-ATOM    508  N   CYS B  76      -1.734  17.597   1.246  1.00 31.35           N  
-ATOM    509  CA  CYS B  76      -0.840  18.506   0.539  1.00 32.32           C  
-ATOM    510  C   CYS B  76      -0.756  19.843   1.203  1.00 31.67           C  
-ATOM    511  O   CYS B  76       0.299  20.439   1.187  1.00 31.74           O  
-ATOM    512  CB  CYS B  76      -1.310  18.790  -0.853  1.00 31.78           C  
-ATOM    513  SG  CYS B  76      -1.120  17.511  -1.938  1.00 39.49           S  
-ATOM    514  N   GLU B  77      -1.881  20.350   1.715  1.00 32.73           N  
-ATOM    515  CA  GLU B  77      -1.933  21.659   2.337  1.00 33.81           C  
-ATOM    516  C   GLU B  77      -1.133  21.613   3.633  1.00 34.61           C  
-ATOM    517  O   GLU B  77      -0.296  22.470   3.908  1.00 34.55           O  
-ATOM    518  CB  GLU B  77      -3.369  22.080   2.567  1.00 33.43           C  
-ATOM    519  CG  GLU B  77      -3.528  23.437   3.193  1.00 37.35           C  
-ATOM    520  CD  GLU B  77      -4.901  23.616   3.802  1.00 42.53           C  
-ATOM    521  OE1 GLU B  77      -5.635  22.604   3.886  1.00 48.01           O  
-ATOM    522  OE2 GLU B  77      -5.262  24.752   4.191  1.00 46.39           O  
-ATOM    523  N   GLU B  78      -1.356  20.573   4.400  1.00 36.26           N  
-ATOM    524  CA  GLU B  78      -0.553  20.315   5.607  1.00 38.41           C  
-ATOM    525  C   GLU B  78       0.923  20.281   5.262  1.00 37.35           C  
-ATOM    526  O   GLU B  78       1.759  20.843   5.958  1.00 37.89           O  
-ATOM    527  CB  GLU B  78      -1.005  18.983   6.226  1.00 37.84           C  
-ATOM    528  CG  GLU B  78      -0.406  18.653   7.577  1.00 41.12           C  
-ATOM    529  CD  GLU B  78      -1.199  17.570   8.337  1.00 41.88           C  
-ATOM    530  OE1 GLU B  78      -1.897  16.719   7.671  1.00 45.25           O  
-ATOM    531  OE2 GLU B  78      -1.137  17.585   9.616  1.00 46.27           O  
-ATOM    532  N   LEU B  79       1.259  19.636   4.154  1.00 37.34           N  
-ATOM    533  CA  LEU B  79       2.668  19.393   3.863  1.00 37.16           C  
-ATOM    534  C   LEU B  79       3.332  20.679   3.372  1.00 36.06           C  
-ATOM    535  O   LEU B  79       4.507  20.905   3.618  1.00 36.16           O  
-ATOM    536  CB  LEU B  79       2.799  18.299   2.855  1.00 36.49           C  
-ATOM    537  CG  LEU B  79       3.919  17.304   2.623  1.00 38.12           C  
-ATOM    538  CD1 LEU B  79       4.413  16.532   3.858  1.00 38.52           C  
-ATOM    539  CD2 LEU B  79       3.252  16.316   1.671  1.00 35.83           C  
-ATOM    540  N   LEU B  80       2.556  21.523   2.725  1.00 35.85           N  
-ATOM    541  CA  LEU B  80       3.047  22.817   2.238  1.00 36.63           C  
-ATOM    542  C   LEU B  80       3.340  23.737   3.440  1.00 36.22           C  
-ATOM    543  O   LEU B  80       4.315  24.472   3.462  1.00 37.14           O  
-ATOM    544  CB  LEU B  80       2.022  23.403   1.260  1.00 35.90           C  
-ATOM    545  CG  LEU B  80       1.918  24.803   0.625  1.00 37.94           C  
-ATOM    546  CD1 LEU B  80       0.610  24.942  -0.127  1.00 37.90           C  
-ATOM    547  CD2 LEU B  80       2.030  25.979   1.602  1.00 43.86           C  
-ATOM    548  N   HIS B  81       2.471  23.705   4.436  1.00 36.59           N  
-ATOM    549  CA  HIS B  81       2.694  24.464   5.659  1.00 36.13           C  
-ATOM    550  C   HIS B  81       3.913  23.997   6.468  1.00 33.83           C  
-ATOM    551  O   HIS B  81       4.641  24.816   7.040  1.00 34.34           O  
-ATOM    552  CB  HIS B  81       1.434  24.464   6.523  1.00 37.80           C  
-ATOM    553  CG  HIS B  81       0.323  25.323   5.994  1.00 39.02           C  
-ATOM    554  ND1 HIS B  81      -0.655  24.846   5.149  1.00 41.71           N  
-ATOM    555  CD2 HIS B  81       0.014  26.618   6.226  1.00 40.21           C  
-ATOM    556  CE1 HIS B  81      -1.514  25.810   4.875  1.00 39.55           C  
-ATOM    557  NE2 HIS B  81      -1.135  26.893   5.521  1.00 40.26           N  
-ATOM    558  N   PHE B  82       4.157  22.694   6.481  1.00 32.30           N  
-ATOM    559  CA  PHE B  82       5.304  22.086   7.204  1.00 29.84           C  
-ATOM    560  C   PHE B  82       6.543  22.500   6.498  1.00 29.93           C  
-ATOM    561  O   PHE B  82       7.578  22.766   7.108  1.00 31.03           O  
-ATOM    562  CB  PHE B  82       5.202  20.566   7.203  1.00 28.90           C  
-ATOM    563  CG  PHE B  82       6.414  19.862   7.750  1.00 27.45           C  
-ATOM    564  CD1 PHE B  82       6.623  19.754   9.127  1.00 24.69           C  
-ATOM    565  CD2 PHE B  82       7.346  19.319   6.889  1.00 26.44           C  
-ATOM    566  CE1 PHE B  82       7.731  19.124   9.648  1.00 27.15           C  
-ATOM    567  CE2 PHE B  82       8.449  18.674   7.390  1.00 29.49           C  
-ATOM    568  CZ  PHE B  82       8.653  18.569   8.788  1.00 28.63           C  
-ATOM    569  N   GLN B  83       6.477  22.572   5.192  1.00 30.47           N  
-ATOM    570  CA  GLN B  83       7.660  22.969   4.443  1.00 30.81           C  
-ATOM    571  C   GLN B  83       8.041  24.382   4.772  1.00 30.51           C  
-ATOM    572  O   GLN B  83       9.225  24.710   4.833  1.00 31.14           O  
-ATOM    573  CB  GLN B  83       7.393  22.944   2.956  1.00 31.62           C  
-ATOM    574  CG  GLN B  83       7.704  21.668   2.321  1.00 34.96           C  
-ATOM    575  CD  GLN B  83       7.293  21.658   0.833  1.00 40.52           C  
-ATOM    576  OE1 GLN B  83       6.348  20.970   0.446  1.00 42.24           O  
-ATOM    577  NE2 GLN B  83       8.000  22.432   0.016  1.00 39.73           N  
-ATOM    578  N   ALA B  84       7.055  25.240   4.936  1.00 30.99           N  
-ATOM    579  CA  ALA B  84       7.335  26.632   5.241  1.00 32.00           C  
-ATOM    580  C   ALA B  84       7.921  26.754   6.678  1.00 32.92           C  
-ATOM    581  O   ALA B  84       8.862  27.532   6.869  1.00 34.04           O  
-ATOM    582  CB  ALA B  84       6.089  27.514   5.041  1.00 31.69           C  
-ATOM    583  N   SER B  85       7.423  25.956   7.634  1.00 32.49           N  
-ATOM    584  CA  SER B  85       7.969  25.926   9.018  1.00 32.72           C  
-ATOM    585  C   SER B  85       9.348  25.393   9.061  1.00 33.06           C  
-ATOM    586  O   SER B  85      10.193  25.972   9.733  1.00 32.95           O  
-ATOM    587  CB  SER B  85       7.154  25.076   9.904  1.00 32.22           C  
-ATOM    588  OG  SER B  85       5.868  25.593   9.816  1.00 35.11           O  
-ATOM    589  N   GLN B  86       9.609  24.344   8.268  1.00 33.38           N  
-ATOM    590  CA  GLN B  86      10.960  23.813   8.194  1.00 33.31           C  
-ATOM    591  C   GLN B  86      11.948  24.875   7.706  1.00 30.43           C  
-ATOM    592  O   GLN B  86      13.009  25.057   8.273  1.00 28.85           O  
-ATOM    593  CB  GLN B  86      11.021  22.543   7.342  1.00 33.40           C  
-ATOM    594  CG  GLN B  86      10.367  21.347   8.102  1.00 39.07           C  
-ATOM    595  CD  GLN B  86      11.134  20.915   9.388  1.00 44.37           C  
-ATOM    596  OE1 GLN B  86      12.094  20.129   9.310  1.00 46.80           O  
-ATOM    597  NE2 GLN B  86      10.699  21.417  10.573  1.00 47.55           N  
-ATOM    598  N   ARG B  87      11.587  25.553   6.649  1.00 29.91           N  
-ATOM    599  CA  ARG B  87      12.445  26.632   6.071  1.00 29.57           C  
-ATOM    600  C   ARG B  87      12.732  27.748   7.075  1.00 28.97           C  
-ATOM    601  O   ARG B  87      13.825  28.250   7.134  1.00 30.38           O  
-ATOM    602  CB  ARG B  87      11.763  27.229   4.838  1.00 28.62           C  
-ATOM    603  CG  ARG B  87      12.475  28.483   4.314  1.00 31.76           C  
-ATOM    604  CD  ARG B  87      12.022  28.919   2.893  1.00 30.68           C  
-ATOM    605  NE  ARG B  87      13.217  29.305   2.122  1.00 34.97           N  
-ATOM    606  CZ  ARG B  87      13.282  29.470   0.786  1.00 37.62           C  
-ATOM    607  NH1 ARG B  87      12.208  29.278   0.006  1.00 34.77           N  
-ATOM    608  NH2 ARG B  87      14.441  29.836   0.220  1.00 37.40           N  
-ATOM    609  N   GLU B  88      11.767  28.101   7.899  1.00 29.18           N  
-ATOM    610  CA  GLU B  88      11.900  29.161   8.931  1.00 31.46           C  
-ATOM    611  C   GLU B  88      12.777  28.737  10.138  1.00 31.10           C  
-ATOM    612  O   GLU B  88      13.620  29.546  10.629  1.00 30.25           O  
-ATOM    613  CB  GLU B  88      10.492  29.557   9.381  1.00 29.89           C  
-ATOM    614  CG  GLU B  88       9.666  30.268   8.252  1.00 35.38           C  
-ATOM    615  CD  GLU B  88       8.132  30.404   8.571  1.00 37.19           C  
-ATOM    616  OE1 GLU B  88       7.758  30.530   9.768  1.00 42.26           O  
-ATOM    617  OE2 GLU B  88       7.283  30.366   7.630  1.00 44.77           O  
-ATOM    618  N   GLU B  89      12.607  27.474  10.581  1.00 29.99           N  
-ATOM    619  CA  GLU B  89      13.408  26.884  11.652  1.00 30.82           C  
-ATOM    620  C   GLU B  89      14.837  26.890  11.199  1.00 30.02           C  
-ATOM    621  O   GLU B  89      15.708  27.317  11.904  1.00 29.43           O  
-ATOM    622  CB  GLU B  89      12.997  25.435  11.904  1.00 31.39           C  
-ATOM    623  CG  GLU B  89      13.824  24.710  12.972  1.00 36.45           C  
-ATOM    624  CD  GLU B  89      13.217  24.836  14.378  1.00 45.83           C  
-ATOM    625  OE1 GLU B  89      13.441  23.937  15.264  1.00 48.35           O  
-ATOM    626  OE2 GLU B  89      12.505  25.845  14.601  1.00 47.81           O  
-ATOM    627  N   LYS B  90      15.071  26.441   9.977  1.00 30.08           N  
-ATOM    628  CA  LYS B  90      16.414  26.407   9.434  1.00 30.15           C  
-ATOM    629  C   LYS B  90      17.039  27.820   9.328  1.00 29.31           C  
-ATOM    630  O   LYS B  90      18.159  28.046   9.693  1.00 31.92           O  
-ATOM    631  CB  LYS B  90      16.345  25.842   8.034  1.00 29.56           C  
-ATOM    632  CG  LYS B  90      17.745  25.653   7.516  1.00 35.15           C  
-ATOM    633  CD  LYS B  90      17.763  24.951   6.186  1.00 34.49           C  
-ATOM    634  CE  LYS B  90      19.172  24.408   5.989  1.00 37.71           C  
-ATOM    635  NZ  LYS B  90      19.261  23.829   4.586  1.00 39.55           N  
-ATOM    636  N   GLU B  91      16.336  28.770   8.781  1.00 28.14           N  
-ATOM    637  CA  GLU B  91      16.834  30.175   8.781  1.00 28.03           C  
-ATOM    638  C   GLU B  91      17.120  30.623  10.202  1.00 27.48           C  
-ATOM    639  O   GLU B  91      18.147  31.252  10.444  1.00 26.84           O  
-ATOM    640  CB  GLU B  91      15.773  31.086   8.187  1.00 26.18           C  
-ATOM    641  CG  GLU B  91      15.391  30.658   6.800  1.00 27.88           C  
-ATOM    642  CD  GLU B  91      14.260  31.453   6.149  1.00 33.10           C  
-ATOM    643  OE1 GLU B  91      13.558  32.271   6.776  1.00 34.20           O  
-ATOM    644  OE2 GLU B  91      14.034  31.235   4.954  1.00 39.23           O  
-ATOM    645  N   PHE B  92      16.223  30.278  11.141  1.00 27.93           N  
-ATOM    646  CA  PHE B  92      16.477  30.584  12.552  1.00 29.26           C  
-ATOM    647  C   PHE B  92      17.737  29.988  13.071  1.00 30.20           C  
-ATOM    648  O   PHE B  92      18.582  30.700  13.604  1.00 32.18           O  
-ATOM    649  CB  PHE B  92      15.301  30.237  13.414  1.00 29.09           C  
-ATOM    650  CG  PHE B  92      15.524  30.479  14.874  1.00 34.42           C  
-ATOM    651  CD1 PHE B  92      15.093  31.678  15.472  1.00 29.65           C  
-ATOM    652  CD2 PHE B  92      16.070  29.439  15.701  1.00 35.96           C  
-ATOM    653  CE1 PHE B  92      15.233  31.868  16.872  1.00 33.79           C  
-ATOM    654  CE2 PHE B  92      16.238  29.634  17.077  1.00 37.07           C  
-ATOM    655  CZ  PHE B  92      15.820  30.866  17.680  1.00 31.59           C  
-ATOM    656  N   LEU B  93      17.941  28.686  12.856  1.00 32.24           N  
-ATOM    657  CA  LEU B  93      19.110  28.013  13.402  1.00 32.07           C  
-ATOM    658  C   LEU B  93      20.424  28.409  12.682  1.00 34.53           C  
-ATOM    659  O   LEU B  93      21.497  28.568  13.319  1.00 35.70           O  
-ATOM    660  CB  LEU B  93      18.846  26.513  13.322  1.00 31.80           C  
-ATOM    661  CG  LEU B  93      17.849  26.036  14.397  1.00 32.20           C  
-ATOM    662  CD1 LEU B  93      17.622  24.533  14.322  1.00 28.96           C  
-ATOM    663  CD2 LEU B  93      18.365  26.401  15.869  1.00 29.54           C  
-ATOM    664  N   MET B  94      20.392  28.544  11.356  1.00 33.82           N  
-ATOM    665  CA  MET B  94      21.561  29.135  10.677  1.00 36.07           C  
-ATOM    666  C   MET B  94      21.935  30.539  11.200  1.00 34.38           C  
-ATOM    667  O   MET B  94      23.110  30.883  11.320  1.00 34.10           O  
-ATOM    668  CB  MET B  94      21.322  29.161   9.184  1.00 33.59           C  
-ATOM    669  CG  MET B  94      21.553  27.792   8.527  1.00 36.32           C  
-ATOM    670  SD  MET B  94      21.252  27.942   6.774  1.00 47.42           S  
-ATOM    671  CE  MET B  94      19.499  28.362   6.646  1.00 48.65           C  
-ATOM    672  N   CYS B  95      20.956  31.354  11.537  1.00 34.64           N  
-ATOM    673  CA  CYS B  95      21.244  32.648  12.168  1.00 35.08           C  
-ATOM    674  C   CYS B  95      21.934  32.489  13.561  1.00 35.70           C  
-ATOM    675  O   CYS B  95      23.071  32.936  13.739  1.00 36.62           O  
-ATOM    676  CB  CYS B  95      19.968  33.473  12.252  1.00 33.83           C  
-ATOM    677  SG  CYS B  95      20.179  35.161  12.977  1.00 37.51           S  
-ATOM    678  N   LYS B  96      21.296  31.785  14.495  1.00 35.62           N  
-ATOM    679  CA  LYS B  96      21.871  31.528  15.826  1.00 35.57           C  
-ATOM    680  C   LYS B  96      23.249  30.977  15.770  1.00 35.66           C  
-ATOM    681  O   LYS B  96      24.166  31.389  16.533  1.00 36.92           O  
-ATOM    682  CB  LYS B  96      21.030  30.475  16.548  1.00 34.50           C  
-ATOM    683  CG  LYS B  96      19.644  30.971  16.792  1.00 36.02           C  
-ATOM    684  CD  LYS B  96      19.705  32.260  17.550  1.00 38.71           C  
-ATOM    685  CE  LYS B  96      18.705  33.231  17.040  1.00 42.21           C  
-ATOM    686  NZ  LYS B  96      18.352  33.987  18.234  1.00 37.29           N  
-ATOM    687  N   PHE B  97      23.416  29.998  14.906  1.00 34.47           N  
-ATOM    688  CA  PHE B  97      24.682  29.344  14.837  1.00 34.36           C  
-ATOM    689  C   PHE B  97      25.798  30.193  14.143  1.00 35.53           C  
-ATOM    690  O   PHE B  97      27.007  30.082  14.551  1.00 34.50           O  
-ATOM    691  CB  PHE B  97      24.483  27.937  14.325  1.00 35.86           C  
-ATOM    692  CG  PHE B  97      23.939  26.930  15.424  1.00 35.95           C  
-ATOM    693  CD1 PHE B  97      22.799  26.175  15.198  1.00 31.31           C  
-ATOM    694  CD2 PHE B  97      24.586  26.782  16.647  1.00 35.41           C  
-ATOM    695  CE1 PHE B  97      22.336  25.239  16.145  1.00 32.95           C  
-ATOM    696  CE2 PHE B  97      24.132  25.868  17.613  1.00 35.97           C  
-ATOM    697  CZ  PHE B  97      22.998  25.087  17.372  1.00 33.39           C  
-ATOM    698  N   GLN B  98      25.397  31.121  13.252  1.00 33.24           N  
-ATOM    699  CA  GLN B  98      26.313  32.208  12.799  1.00 35.19           C  
-ATOM    700  C   GLN B  98      26.647  33.311  13.802  1.00 34.21           C  
-ATOM    701  O   GLN B  98      27.747  33.802  13.836  1.00 35.04           O  
-ATOM    702  CB  GLN B  98      25.876  32.820  11.431  1.00 35.03           C  
-ATOM    703  CG  GLN B  98      25.564  31.725  10.407  1.00 36.60           C  
-ATOM    704  CD  GLN B  98      26.252  31.950   9.136  1.00 44.14           C  
-ATOM    705  OE1 GLN B  98      27.502  32.017   9.155  1.00 47.50           O  
-ATOM    706  NE2 GLN B  98      25.476  32.033   7.960  1.00 37.24           N  
-ATOM    707  N   GLU B  99      25.693  33.701  14.620  1.00 35.60           N  
-ATOM    708  CA  GLU B  99      25.919  34.590  15.772  1.00 36.89           C  
-ATOM    709  C   GLU B  99      26.832  33.884  16.814  1.00 35.96           C  
-ATOM    710  O   GLU B  99      27.743  34.480  17.333  1.00 36.05           O  
-ATOM    711  CB  GLU B  99      24.538  34.963  16.394  1.00 36.34           C  
-ATOM    712  CG  GLU B  99      23.891  36.135  15.627  1.00 41.73           C  
-ATOM    713  CD  GLU B  99      22.391  36.337  15.898  1.00 41.47           C  
-ATOM    714  OE1 GLU B  99      21.821  37.355  15.425  1.00 49.54           O  
-ATOM    715  OE2 GLU B  99      21.774  35.517  16.577  1.00 45.62           O  
-ATOM    716  N   ALA B 100      26.579  32.618  17.101  1.00 34.19           N  
-ATOM    717  CA  ALA B 100      27.449  31.893  18.013  1.00 34.48           C  
-ATOM    718  C   ALA B 100      28.881  31.829  17.523  1.00 34.40           C  
-ATOM    719  O   ALA B 100      29.830  32.067  18.299  1.00 34.84           O  
-ATOM    720  CB  ALA B 100      26.895  30.497  18.288  1.00 33.07           C  
-ATOM    721  N   ARG B 101      29.059  31.539  16.240  1.00 34.64           N  
-ATOM    722  CA AARG B 101      30.388  31.537  15.624  0.50 34.86           C  
-ATOM    723  CA BARG B 101      30.403  31.528  15.656  0.50 35.05           C  
-ATOM    724  C   ARG B 101      31.096  32.881  15.783  1.00 35.18           C  
-ATOM    725  O   ARG B 101      32.257  32.936  16.182  1.00 34.34           O  
-ATOM    726  CB AARG B 101      30.281  31.170  14.143  0.50 34.31           C  
-ATOM    727  CB BARG B 101      30.369  31.081  14.194  0.50 34.72           C  
-ATOM    728  CG AARG B 101      31.603  31.016  13.438  0.50 34.98           C  
-ATOM    729  CG BARG B 101      31.735  30.963  13.534  0.50 36.46           C  
-ATOM    730  CD AARG B 101      31.420  30.366  12.037  0.50 35.07           C  
-ATOM    731  CD BARG B 101      31.599  30.878  12.009  0.50 39.47           C  
-ATOM    732  NE AARG B 101      32.715  30.274  11.366  0.50 35.80           N  
-ATOM    733  NE BARG B 101      30.460  31.679  11.577  0.50 41.29           N  
-ATOM    734  CZ AARG B 101      33.018  29.412  10.390  0.50 35.83           C  
-ATOM    735  CZ BARG B 101      30.384  32.357  10.442  0.50 43.01           C  
-ATOM    736  NH1AARG B 101      32.119  28.540   9.937  0.50 36.02           N  
-ATOM    737  NH1BARG B 101      31.392  32.346   9.571  0.50 44.05           N  
-ATOM    738  NH2AARG B 101      34.230  29.429   9.859  0.50 33.37           N  
-ATOM    739  NH2BARG B 101      29.281  33.045  10.186  0.50 43.45           N  
-ATOM    740  N   LYS B 102      30.385  33.976  15.452  1.00 36.29           N  
-ATOM    741  CA  LYS B 102      31.000  35.318  15.537  1.00 37.01           C  
-ATOM    742  C   LYS B 102      31.283  35.725  17.009  1.00 36.88           C  
-ATOM    743  O   LYS B 102      32.208  36.481  17.278  1.00 36.81           O  
-ATOM    744  CB  LYS B 102      30.208  36.376  14.722  1.00 37.34           C  
-ATOM    745  CG  LYS B 102      29.970  35.946  13.237  1.00 39.79           C  
-ATOM    746  CD  LYS B 102      29.009  36.812  12.363  1.00 39.65           C  
-ATOM    747  CE  LYS B 102      29.786  37.824  11.454  1.00 42.63           C  
-ATOM    748  NZ  LYS B 102      29.037  38.536  10.309  1.00 42.37           N  
-ATOM    749  N   LEU B 103      30.526  35.180  17.961  1.00 36.66           N  
-ATOM    750  CA  LEU B 103      30.710  35.527  19.350  1.00 36.37           C  
-ATOM    751  C   LEU B 103      31.917  34.764  19.927  1.00 36.58           C  
-ATOM    752  O   LEU B 103      32.717  35.325  20.638  1.00 36.03           O  
-ATOM    753  CB  LEU B 103      29.421  35.309  20.139  1.00 36.02           C  
-ATOM    754  CG  LEU B 103      29.538  35.421  21.665  1.00 36.10           C  
-ATOM    755  CD1 LEU B 103      29.892  36.840  22.158  1.00 33.14           C  
-ATOM    756  CD2 LEU B 103      28.243  34.982  22.248  1.00 37.18           C  
-ATOM    757  N   VAL B 104      32.058  33.490  19.571  1.00 36.62           N  
-ATOM    758  CA  VAL B 104      33.305  32.772  19.750  1.00 36.63           C  
-ATOM    759  C   VAL B 104      34.537  33.472  19.100  1.00 38.31           C  
-ATOM    760  O   VAL B 104      35.566  33.697  19.761  1.00 37.88           O  
-ATOM    761  CB  VAL B 104      33.154  31.340  19.256  1.00 36.23           C  
-ATOM    762  CG1 VAL B 104      34.495  30.629  19.195  1.00 35.54           C  
-ATOM    763  CG2 VAL B 104      32.185  30.575  20.158  1.00 35.67           C  
-ATOM    764  N   GLU B 105      34.468  33.770  17.809  1.00 39.39           N  
-ATOM    765  CA  GLU B 105      35.578  34.450  17.164  1.00 40.80           C  
-ATOM    766  C   GLU B 105      35.938  35.653  18.020  1.00 41.91           C  
-ATOM    767  O   GLU B 105      37.085  35.808  18.421  1.00 42.35           O  
-ATOM    768  CB  GLU B 105      35.204  34.884  15.748  1.00 40.76           C  
-ATOM    769  N   ARG B 106      34.922  36.442  18.370  1.00 43.25           N  
-ATOM    770  CA  ARG B 106      35.085  37.723  19.047  1.00 44.44           C  
-ATOM    771  C   ARG B 106      35.711  37.689  20.427  1.00 45.03           C  
-ATOM    772  O   ARG B 106      36.274  38.687  20.870  1.00 45.26           O  
-ATOM    773  CB  ARG B 106      33.757  38.469  19.130  1.00 44.29           C  
-ATOM    774  CG  ARG B 106      33.955  39.980  19.080  1.00 46.24           C  
-ATOM    775  CD  ARG B 106      33.110  40.682  20.097  1.00 48.16           C  
-ATOM    776  NE  ARG B 106      31.691  40.454  19.852  1.00 50.80           N  
-ATOM    777  CZ  ARG B 106      30.726  40.809  20.699  1.00 53.22           C  
-ATOM    778  NH1 ARG B 106      31.041  41.419  21.849  1.00 53.48           N  
-ATOM    779  NH2 ARG B 106      29.448  40.553  20.400  1.00 52.37           N  
-ATOM    780  N   LEU B 107      35.606  36.547  21.096  1.00 45.99           N  
-ATOM    781  CA  LEU B 107      36.143  36.374  22.437  1.00 46.87           C  
-ATOM    782  C   LEU B 107      37.633  36.043  22.435  1.00 48.55           C  
-ATOM    783  O   LEU B 107      38.391  36.642  23.207  1.00 49.18           O  
-ATOM    784  CB  LEU B 107      35.329  35.345  23.243  1.00 46.21           C  
-ATOM    785  CG  LEU B 107      33.863  35.738  23.497  1.00 44.20           C  
-ATOM    786  CD1 LEU B 107      33.103  34.705  24.280  1.00 42.78           C  
-ATOM    787  CD2 LEU B 107      33.733  37.072  24.184  1.00 43.48           C  
-ATOM    788  N   GLY B 108      38.063  35.125  21.568  1.00 50.18           N  
-ATOM    789  CA  GLY B 108      39.483  34.749  21.474  1.00 52.03           C  
-ATOM    790  C   GLY B 108      40.453  35.930  21.525  1.00 53.54           C  
-ATOM    791  O   GLY B 108      41.580  35.822  22.069  1.00 53.36           O  
-ATOM    792  N   LEU B 109      40.005  37.062  20.965  1.00 54.73           N  
-ATOM    793  CA  LEU B 109      40.801  38.303  20.916  1.00 55.63           C  
-ATOM    794  C   LEU B 109      40.896  38.935  22.316  1.00 55.73           C  
-ATOM    795  O   LEU B 109      41.963  38.936  22.956  1.00 55.47           O  
-ATOM    796  CB  LEU B 109      40.201  39.299  19.902  1.00 55.75           C  
-ATOM    797  CG  LEU B 109      39.449  38.800  18.649  1.00 57.32           C  
-ATOM    798  CD1 LEU B 109      38.683  39.964  17.971  1.00 58.21           C  
-ATOM    799  CD2 LEU B 109      40.352  38.069  17.629  1.00 57.97           C  

Deleted: SwiftApps/modFTDock/input/3eq5-1.pdb
===================================================================
--- SwiftApps/modFTDock/input/3eq5-1.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/3eq5-1.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,796 +0,0 @@
-ATOM      1  N   SER A 135       3.430 -19.028  65.738  1.00  4.33           N  
-ATOM      2  CA  SER A 135       2.008 -19.467  65.677  1.00  4.18           C  
-ATOM      3  C   SER A 135       1.917 -20.928  65.242  1.00  4.15           C  
-ATOM      4  O   SER A 135       2.875 -21.486  64.704  1.00  4.29           O  
-ATOM      5  CB  SER A 135       1.231 -18.587  64.699  1.00  4.25           C  
-ATOM      6  OG  SER A 135       1.695 -18.771  63.370  1.00  4.12           O  
-ATOM      7  N   MET A 136       0.759 -21.538  65.472  1.00  3.93           N  
-ATOM      8  CA  MET A 136       0.528 -22.928  65.082  1.00  3.77           C  
-ATOM      9  C   MET A 136      -0.071 -22.969  63.678  1.00  3.56           C  
-ATOM     10  O   MET A 136      -0.713 -22.014  63.257  1.00  3.39           O  
-ATOM     11  CB  MET A 136      -0.417 -23.608  66.074  1.00  3.93           C  
-ATOM     12  CG  MET A 136       0.019 -23.513  67.537  1.00  4.13           C  
-ATOM     13  SD  MET A 136       1.449 -24.539  67.940  1.00  4.60           S  
-ATOM     14  CE  MET A 136       0.723 -26.175  67.863  1.00  4.34           C  
-ATOM     15  N   PRO A 137       0.147 -24.070  62.937  1.00  3.56           N  
-ATOM     16  CA  PRO A 137      -0.443 -24.215  61.598  1.00  3.59           C  
-ATOM     17  C   PRO A 137      -1.967 -24.098  61.581  1.00  3.61           C  
-ATOM     18  O   PRO A 137      -2.532 -23.519  60.652  1.00  3.91           O  
-ATOM     19  CB  PRO A 137      -0.024 -25.627  61.177  1.00  3.57           C  
-ATOM     20  CG  PRO A 137       1.183 -25.916  61.949  1.00  3.33           C  
-ATOM     21  CD  PRO A 137       1.070 -25.175  63.247  1.00  3.52           C  
-ATOM     22  N   SER A 138      -2.617 -24.639  62.609  1.00  3.43           N  
-ATOM     23  CA  SER A 138      -4.072 -24.576  62.730  1.00  3.21           C  
-ATOM     24  C   SER A 138      -4.622 -23.168  62.999  1.00  3.21           C  
-ATOM     25  O   SER A 138      -5.836 -22.964  62.925  1.00  3.15           O  
-ATOM     26  CB  SER A 138      -4.550 -25.512  63.844  1.00  3.14           C  
-ATOM     27  OG  SER A 138      -4.274 -26.862  63.528  1.00  3.18           O  
-ATOM     28  N   ASP A 139      -3.754 -22.212  63.328  1.00  3.03           N  
-ATOM     29  CA  ASP A 139      -4.193 -20.844  63.624  1.00  3.14           C  
-ATOM     30  C   ASP A 139      -4.811 -20.123  62.425  1.00  3.12           C  
-ATOM     31  O   ASP A 139      -5.593 -19.195  62.597  1.00  2.98           O  
-ATOM     32  CB  ASP A 139      -3.038 -20.000  64.179  1.00  3.13           C  
-ATOM     33  CG  ASP A 139      -2.663 -20.372  65.606  1.00  3.44           C  
-ATOM     34  OD1 ASP A 139      -1.811 -19.670  66.192  1.00  4.42           O  
-ATOM     35  OD2 ASP A 139      -3.206 -21.357  66.149  1.00  3.99           O  
-ATOM     36  N   SER A 140      -4.449 -20.537  61.218  1.00  3.36           N  
-ATOM     37  CA  SER A 140      -4.987 -19.923  60.012  1.00  3.53           C  
-ATOM     38  C   SER A 140      -5.208 -20.938  58.903  1.00  3.45           C  
-ATOM     39  O   SER A 140      -4.434 -21.890  58.744  1.00  3.54           O  
-ATOM     40  CB  SER A 140      -4.054 -18.820  59.504  1.00  3.60           C  
-ATOM     41  OG  SER A 140      -4.520 -18.308  58.264  1.00  3.99           O  
-ATOM     42  N   SER A 141      -6.276 -20.712  58.144  1.00  3.35           N  
-ATOM     43  CA  SER A 141      -6.570 -21.474  56.933  1.00  3.21           C  
-ATOM     44  C   SER A 141      -6.465 -20.577  55.703  1.00  3.06           C  
-ATOM     45  O   SER A 141      -6.897 -20.958  54.618  1.00  2.94           O  
-ATOM     46  CB  SER A 141      -7.982 -22.060  57.015  1.00  3.21           C  
-ATOM     47  OG  SER A 141      -8.961 -21.051  56.836  1.00  2.76           O  
-ATOM     48  N   THR A 142      -5.906 -19.383  55.887  1.00  3.09           N  
-ATOM     49  CA  THR A 142      -5.780 -18.404  54.814  1.00  3.26           C  
-ATOM     50  C   THR A 142      -4.316 -18.022  54.562  1.00  3.49           C  
-ATOM     51  O   THR A 142      -4.031 -17.052  53.858  1.00  3.73           O  
-ATOM     52  CB  THR A 142      -6.627 -17.143  55.121  1.00  3.34           C  
-ATOM     53  OG1 THR A 142      -6.195 -16.554  56.354  1.00  3.12           O  
-ATOM     54  CG2 THR A 142      -8.125 -17.501  55.217  1.00  2.89           C  
-ATOM     55  N   GLU A 143      -3.393 -18.790  55.134  1.00  3.63           N  
-ATOM     56  CA  GLU A 143      -1.971 -18.608  54.877  1.00  3.81           C  
-ATOM     57  C   GLU A 143      -1.551 -19.583  53.802  1.00  3.63           C  
-ATOM     58  O   GLU A 143      -1.494 -20.787  54.041  1.00  3.60           O  
-ATOM     59  CB  GLU A 143      -1.135 -18.820  56.146  1.00  3.97           C  
-ATOM     60  CG  GLU A 143      -0.846 -17.527  56.887  1.00  4.84           C  
-ATOM     61  CD  GLU A 143      -0.317 -17.744  58.289  1.00  5.89           C  
-ATOM     62  OE1 GLU A 143      -0.913 -17.181  59.240  1.00  6.75           O  
-ATOM     63  OE2 GLU A 143       0.687 -18.472  58.439  1.00  6.65           O  
-ATOM     64  N   LEU A 144      -1.271 -19.053  52.614  1.00  3.67           N  
-ATOM     65  CA  LEU A 144      -0.817 -19.869  51.500  1.00  3.50           C  
-ATOM     66  C   LEU A 144       0.612 -20.256  51.748  1.00  3.45           C  
-ATOM     67  O   LEU A 144       1.465 -19.391  51.941  1.00  3.72           O  
-ATOM     68  CB  LEU A 144      -0.912 -19.123  50.167  1.00  3.34           C  
-ATOM     69  CG  LEU A 144      -0.737 -20.025  48.940  1.00  3.06           C  
-ATOM     70  CD1 LEU A 144      -1.897 -21.001  48.821  1.00  3.14           C  
-ATOM     71  CD2 LEU A 144      -0.612 -19.195  47.680  1.00  3.03           C  
-ATOM     72  N   THR A 145       0.857 -21.561  51.747  1.00  3.50           N  
-ATOM     73  CA ATHR A 145       2.212 -22.096  51.881  0.50  3.60           C  
-ATOM     74  CA BTHR A 145       2.196 -22.122  51.908  0.50  3.47           C  
-ATOM     75  C   THR A 145       2.528 -22.935  50.651  1.00  3.52           C  
-ATOM     76  O   THR A 145       1.672 -23.128  49.790  1.00  3.73           O  
-ATOM     77  CB ATHR A 145       2.367 -22.952  53.159  0.50  3.59           C  
-ATOM     78  CB BTHR A 145       2.249 -22.985  53.204  0.50  3.43           C  
-ATOM     79  OG1ATHR A 145       3.756 -23.127  53.453  0.50  3.97           O  
-ATOM     80  OG1BTHR A 145       2.628 -22.160  54.314  0.50  2.97           O  
-ATOM     81  CG2ATHR A 145       1.708 -24.316  52.992  0.50  3.64           C  
-ATOM     82  CG2BTHR A 145       3.222 -24.141  53.091  0.50  3.38           C  
-ATOM     83  N   GLN A 146       3.764 -23.402  50.540  1.00  3.48           N  
-ATOM     84  CA  GLN A 146       4.133 -24.279  49.441  1.00  3.41           C  
-ATOM     85  C   GLN A 146       4.749 -25.567  49.971  1.00  3.19           C  
-ATOM     86  O   GLN A 146       5.388 -25.565  51.017  1.00  3.16           O  
-ATOM     87  CB  GLN A 146       5.065 -23.555  48.472  1.00  3.57           C  
-ATOM     88  CG  GLN A 146       4.355 -22.428  47.721  1.00  3.63           C  
-ATOM     89  CD  GLN A 146       5.213 -21.776  46.657  1.00  4.24           C  
-ATOM     90  OE1 GLN A 146       6.309 -22.244  46.345  1.00  4.02           O  
-ATOM     91  NE2 GLN A 146       4.710 -20.685  46.083  1.00  4.40           N  
-ATOM     92  N   THR A 147       4.507 -26.667  49.263  1.00  3.03           N  
-ATOM     93  CA  THR A 147       5.049 -27.973  49.635  1.00  3.07           C  
-ATOM     94  C   THR A 147       5.381 -28.769  48.377  1.00  2.97           C  
-ATOM     95  O   THR A 147       4.753 -28.572  47.338  1.00  2.91           O  
-ATOM     96  CB  THR A 147       4.070 -28.764  50.535  1.00  3.05           C  
-ATOM     97  OG1 THR A 147       4.762 -29.841  51.174  1.00  3.00           O  
-ATOM     98  CG2 THR A 147       2.907 -29.320  49.734  1.00  3.33           C  
-ATOM     99  N   VAL A 148       6.368 -29.657  48.474  1.00  2.87           N  
-ATOM    100  CA  VAL A 148       6.847 -30.406  47.314  1.00  2.87           C  
-ATOM    101  C   VAL A 148       6.057 -31.696  47.080  1.00  2.93           C  
-ATOM    102  O   VAL A 148       5.816 -32.463  48.008  1.00  2.99           O  
-ATOM    103  CB  VAL A 148       8.356 -30.754  47.430  1.00  2.89           C  
-ATOM    104  CG1 VAL A 148       8.828 -31.472  46.175  1.00  2.40           C  
-ATOM    105  CG2 VAL A 148       9.185 -29.499  47.663  1.00  2.50           C  
-ATOM    106  N   LEU A 149       5.676 -31.924  45.824  1.00  3.03           N  
-ATOM    107  CA  LEU A 149       4.980 -33.141  45.400  1.00  3.09           C  
-ATOM    108  C   LEU A 149       5.499 -33.572  44.028  1.00  3.25           C  
-ATOM    109  O   LEU A 149       5.280 -32.884  43.031  1.00  3.31           O  
-ATOM    110  CB  LEU A 149       3.476 -32.882  45.327  1.00  3.01           C  
-ATOM    111  CG  LEU A 149       2.559 -34.051  44.964  1.00  2.85           C  
-ATOM    112  CD1 LEU A 149       2.559 -35.109  46.055  1.00  2.46           C  
-ATOM    113  CD2 LEU A 149       1.148 -33.541  44.720  1.00  2.43           C  
-ATOM    114  N   GLU A 150       6.187 -34.709  43.981  1.00  3.32           N  
-ATOM    115  CA  GLU A 150       6.798 -35.210  42.743  1.00  3.45           C  
-ATOM    116  C   GLU A 150       7.733 -34.166  42.115  1.00  3.49           C  
-ATOM    117  O   GLU A 150       7.722 -33.957  40.901  1.00  3.45           O  
-ATOM    118  CB  GLU A 150       5.722 -35.651  41.736  1.00  3.41           C  
-ATOM    119  CG  GLU A 150       4.743 -36.698  42.264  1.00  3.55           C  
-ATOM    120  CD  GLU A 150       5.413 -38.008  42.652  1.00  3.95           C  
-ATOM    121  OE1 GLU A 150       6.431 -38.379  42.026  1.00  4.23           O  
-ATOM    122  OE2 GLU A 150       4.918 -38.675  43.586  1.00  4.17           O  
-ATOM    123  N   GLY A 151       8.533 -33.513  42.957  1.00  3.58           N  
-ATOM    124  CA  GLY A 151       9.478 -32.484  42.510  1.00  3.65           C  
-ATOM    125  C   GLY A 151       8.823 -31.183  42.067  1.00  3.71           C  
-ATOM    126  O   GLY A 151       9.454 -30.353  41.418  1.00  3.82           O  
-ATOM    127  N   GLU A 152       7.559 -31.003  42.429  1.00  3.74           N  
-ATOM    128  CA  GLU A 152       6.789 -29.839  42.021  1.00  3.83           C  
-ATOM    129  C   GLU A 152       6.379 -29.082  43.270  1.00  3.73           C  
-ATOM    130  O   GLU A 152       5.937 -29.689  44.243  1.00  3.61           O  
-ATOM    131  CB  GLU A 152       5.539 -30.281  41.267  1.00  3.96           C  
-ATOM    132  CG  GLU A 152       5.090 -29.325  40.179  1.00  4.54           C  
-ATOM    133  CD  GLU A 152       5.552 -29.756  38.809  1.00  5.52           C  
-ATOM    134  OE1 GLU A 152       6.095 -28.903  38.074  1.00  7.20           O  
-ATOM    135  OE2 GLU A 152       5.382 -30.951  38.468  1.00  5.54           O  
-ATOM    136  N   SER A 153       6.521 -27.762  43.241  1.00  3.64           N  
-ATOM    137  CA  SER A 153       6.193 -26.930  44.392  1.00  3.71           C  
-ATOM    138  C   SER A 153       4.724 -26.485  44.318  1.00  3.63           C  
-ATOM    139  O   SER A 153       4.396 -25.542  43.600  1.00  3.55           O  
-ATOM    140  CB  SER A 153       7.139 -25.730  44.449  1.00  3.73           C  
-ATOM    141  OG  SER A 153       6.877 -24.922  45.580  1.00  4.34           O  
-ATOM    142  N   ILE A 154       3.855 -27.179  45.057  1.00  3.56           N  
-ATOM    143  CA  ILE A 154       2.402 -26.946  45.023  1.00  3.57           C  
-ATOM    144  C   ILE A 154       1.949 -26.040  46.173  1.00  3.60           C  
-ATOM    145  O   ILE A 154       2.362 -26.226  47.315  1.00  3.64           O  
-ATOM    146  CB  ILE A 154       1.617 -28.279  45.145  1.00  3.58           C  
-ATOM    147  CG1 ILE A 154       2.026 -29.270  44.055  1.00  3.60           C  
-ATOM    148  CG2 ILE A 154       0.113 -28.033  45.091  1.00  3.61           C  
-ATOM    149  CD1 ILE A 154       1.605 -28.872  42.658  1.00  3.76           C  
-ATOM    150  N   SER A 155       1.078 -25.081  45.876  1.00  3.70           N  
-ATOM    151  CA  SER A 155       0.551 -24.169  46.900  1.00  3.67           C  
-ATOM    152  C   SER A 155      -0.460 -24.887  47.803  1.00  3.74           C  
-ATOM    153  O   SER A 155      -1.149 -25.798  47.348  1.00  3.78           O  
-ATOM    154  CB  SER A 155      -0.082 -22.944  46.246  1.00  3.66           C  
-ATOM    155  OG  SER A 155       0.902 -22.149  45.602  1.00  3.27           O  
-ATOM    156  N   CYS A 156      -0.538 -24.482  49.074  1.00  3.75           N  
-ATOM    157  CA ACYS A 156      -1.369 -25.172  50.071  0.50  3.81           C  
-ATOM    158  CA BCYS A 156      -1.422 -25.153  50.025  0.50  3.80           C  
-ATOM    159  C   CYS A 156      -1.960 -24.245  51.130  1.00  3.86           C  
-ATOM    160  O   CYS A 156      -1.379 -23.209  51.440  1.00  4.12           O  
-ATOM    161  CB ACYS A 156      -0.539 -26.225  50.811  0.50  3.81           C  
-ATOM    162  CB BCYS A 156      -0.720 -26.376  50.641  0.50  3.82           C  
-ATOM    163  SG ACYS A 156       0.309 -27.413  49.769  0.50  3.67           S  
-ATOM    164  SG BCYS A 156       0.950 -26.091  51.295  0.50  3.56           S  
-ATOM    165  N   PHE A 157      -3.100 -24.654  51.692  1.00  3.78           N  
-ATOM    166  CA  PHE A 157      -3.674 -24.070  52.911  1.00  3.80           C  
-ATOM    167  C   PHE A 157      -3.742 -25.163  53.977  1.00  3.74           C  
-ATOM    168  O   PHE A 157      -3.821 -26.344  53.651  1.00  3.95           O  
-ATOM    169  CB  PHE A 157      -5.103 -23.565  52.688  1.00  3.68           C  
-ATOM    170  CG  PHE A 157      -5.206 -22.414  51.737  1.00  3.37           C  
-ATOM    171  CD1 PHE A 157      -5.613 -22.613  50.423  1.00  2.42           C  
-ATOM    172  CD2 PHE A 157      -4.907 -21.129  52.154  1.00  3.03           C  
-ATOM    173  CE1 PHE A 157      -5.713 -21.557  49.545  1.00  2.12           C  
-ATOM    174  CE2 PHE A 157      -5.005 -20.065  51.272  1.00  3.01           C  
-ATOM    175  CZ  PHE A 157      -5.412 -20.284  49.964  1.00  2.33           C  
-ATOM    176  N   GLN A 158      -3.731 -24.770  55.247  1.00  3.66           N  
-ATOM    177  CA  GLN A 158      -4.004 -25.705  56.339  1.00  3.51           C  
-ATOM    178  C   GLN A 158      -5.501 -25.667  56.643  1.00  3.55           C  
-ATOM    179  O   GLN A 158      -6.016 -24.641  57.064  1.00  3.57           O  
-ATOM    180  CB  GLN A 158      -3.199 -25.336  57.579  1.00  3.36           C  
-ATOM    181  CG  GLN A 158      -3.142 -26.436  58.630  1.00  3.36           C  
-ATOM    182  CD  GLN A 158      -2.137 -27.543  58.310  1.00  3.25           C  
-ATOM    183  OE1 GLN A 158      -1.324 -27.427  57.389  1.00  2.76           O  
-ATOM    184  NE2 GLN A 158      -2.195 -28.625  59.081  1.00  2.57           N  
-ATOM    185  N   VAL A 159      -6.198 -26.776  56.405  1.00  3.67           N  
-ATOM    186  CA  VAL A 159      -7.639 -26.858  56.660  1.00  3.71           C  
-ATOM    187  C   VAL A 159      -7.985 -28.114  57.452  1.00  3.76           C  
-ATOM    188  O   VAL A 159      -7.653 -29.227  57.044  1.00  3.75           O  
-ATOM    189  CB  VAL A 159      -8.459 -26.868  55.355  1.00  3.81           C  
-ATOM    190  CG1 VAL A 159      -9.946 -26.889  55.673  1.00  3.18           C  
-ATOM    191  CG2 VAL A 159      -8.109 -25.666  54.491  1.00  3.64           C  
-ATOM    192  N   GLY A 160      -8.666 -27.924  58.579  1.00  3.93           N  
-ATOM    193  CA  GLY A 160      -9.023 -29.027  59.473  1.00  3.99           C  
-ATOM    194  C   GLY A 160      -7.852 -29.918  59.861  1.00  4.08           C  
-ATOM    195  O   GLY A 160      -7.990 -31.135  59.899  1.00  4.23           O  
-ATOM    196  N   GLY A 161      -6.693 -29.316  60.119  1.00  4.14           N  
-ATOM    197  CA  GLY A 161      -5.536 -30.043  60.645  1.00  4.02           C  
-ATOM    198  C   GLY A 161      -4.684 -30.788  59.631  1.00  4.06           C  
-ATOM    199  O   GLY A 161      -3.860 -31.621  60.009  1.00  4.04           O  
-ATOM    200  N   GLU A 162      -4.868 -30.496  58.347  1.00  4.15           N  
-ATOM    201  CA  GLU A 162      -4.060 -31.111  57.288  1.00  4.13           C  
-ATOM    202  C   GLU A 162      -3.695 -30.096  56.216  1.00  3.99           C  
-ATOM    203  O   GLU A 162      -4.484 -29.193  55.927  1.00  3.89           O  
-ATOM    204  CB  GLU A 162      -4.825 -32.267  56.640  1.00  4.28           C  
-ATOM    205  CG  GLU A 162      -4.945 -33.500  57.510  1.00  4.64           C  
-ATOM    206  CD  GLU A 162      -5.762 -34.598  56.854  1.00  5.45           C  
-ATOM    207  OE1 GLU A 162      -6.988 -34.408  56.690  1.00  5.78           O  
-ATOM    208  OE2 GLU A 162      -5.179 -35.653  56.509  1.00  6.07           O  
-ATOM    209  N   LYS A 163      -2.501 -30.249  55.639  1.00  3.81           N  
-ATOM    210  CA  LYS A 163      -2.108 -29.493  54.456  1.00  3.86           C  
-ATOM    211  C   LYS A 163      -2.992 -29.949  53.304  1.00  3.70           C  
-ATOM    212  O   LYS A 163      -3.095 -31.149  53.030  1.00  3.55           O  
-ATOM    213  CB  LYS A 163      -0.633 -29.742  54.067  1.00  3.97           C  
-ATOM    214  CG  LYS A 163       0.421 -29.026  54.915  1.00  4.47           C  
-ATOM    215  CD  LYS A 163       1.816 -29.153  54.286  1.00  4.75           C  
-ATOM    216  CE  LYS A 163       2.919 -28.757  55.255  1.00  5.22           C  
-ATOM    217  NZ  LYS A 163       4.291 -29.120  54.768  1.00  5.64           N  
-ATOM    218  N   ARG A 164      -3.614 -28.991  52.626  1.00  3.58           N  
-ATOM    219  CA  ARG A 164      -4.442 -29.284  51.463  1.00  3.61           C  
-ATOM    220  C   ARG A 164      -3.951 -28.523  50.227  1.00  3.44           C  
-ATOM    221  O   ARG A 164      -3.804 -27.305  50.250  1.00  3.18           O  
-ATOM    222  CB  ARG A 164      -5.907 -28.984  51.773  1.00  3.62           C  
-ATOM    223  CG  ARG A 164      -6.357 -29.607  53.087  1.00  3.81           C  
-ATOM    224  CD  ARG A 164      -7.815 -30.041  53.072  1.00  4.10           C  
-ATOM    225  NE  ARG A 164      -8.256 -30.439  54.407  1.00  4.15           N  
-ATOM    226  CZ  ARG A 164      -9.323 -31.190  54.671  1.00  4.89           C  
-ATOM    227  NH1 ARG A 164     -10.102 -31.654  53.696  1.00  5.57           N  
-ATOM    228  NH2 ARG A 164      -9.619 -31.480  55.930  1.00  5.30           N  
-ATOM    229  N   LEU A 165      -3.704 -29.271  49.154  1.00  3.44           N  
-ATOM    230  CA  LEU A 165      -3.019 -28.770  47.967  1.00  3.37           C  
-ATOM    231  C   LEU A 165      -4.007 -28.241  46.938  1.00  3.42           C  
-ATOM    232  O   LEU A 165      -5.129 -28.728  46.843  1.00  3.42           O  
-ATOM    233  CB  LEU A 165      -2.192 -29.893  47.341  1.00  3.29           C  
-ATOM    234  CG  LEU A 165      -0.906 -30.320  48.059  1.00  3.38           C  
-ATOM    235  CD1 LEU A 165      -1.151 -30.728  49.503  1.00  2.94           C  
-ATOM    236  CD2 LEU A 165      -0.223 -31.444  47.288  1.00  2.82           C  
-ATOM    237  N   CYS A 166      -3.571 -27.249  46.165  1.00  3.49           N  
-ATOM    238  CA  CYS A 166      -4.369 -26.681  45.077  1.00  3.59           C  
-ATOM    239  C   CYS A 166      -4.575 -27.709  43.959  1.00  3.61           C  
-ATOM    240  O   CYS A 166      -3.672 -27.966  43.169  1.00  3.55           O  
-ATOM    241  CB  CYS A 166      -3.691 -25.421  44.528  1.00  3.51           C  
-ATOM    242  SG  CYS A 166      -4.545 -24.637  43.131  1.00  4.67           S  
-ATOM    243  N   LEU A 167      -5.776 -28.283  43.894  1.00  3.73           N  
-ATOM    244  CA  LEU A 167      -6.054 -29.416  42.998  1.00  3.72           C  
-ATOM    245  C   LEU A 167      -5.683 -29.181  41.527  1.00  3.71           C  
-ATOM    246  O   LEU A 167      -5.113 -30.072  40.900  1.00  3.78           O  
-ATOM    247  CB  LEU A 167      -7.518 -29.867  43.121  1.00  3.68           C  
-ATOM    248  CG  LEU A 167      -7.916 -31.138  42.357  1.00  3.66           C  
-ATOM    249  CD1 LEU A 167      -7.089 -32.352  42.808  1.00  3.40           C  
-ATOM    250  CD2 LEU A 167      -9.406 -31.406  42.515  1.00  2.98           C  
-ATOM    251  N   PRO A 168      -6.000 -27.994  40.970  1.00  3.75           N  
-ATOM    252  CA  PRO A 168      -5.627 -27.716  39.581  1.00  3.78           C  
-ATOM    253  C   PRO A 168      -4.138 -27.885  39.275  1.00  3.88           C  
-ATOM    254  O   PRO A 168      -3.792 -28.335  38.184  1.00  4.10           O  
-ATOM    255  CB  PRO A 168      -6.051 -26.258  39.392  1.00  3.79           C  
-ATOM    256  CG  PRO A 168      -7.180 -26.084  40.298  1.00  3.69           C  
-ATOM    257  CD  PRO A 168      -6.867 -26.931  41.508  1.00  3.80           C  
-ATOM    258  N   GLN A 169      -3.273 -27.519  40.218  1.00  3.97           N  
-ATOM    259  CA  GLN A 169      -1.826 -27.706  40.047  1.00  3.94           C  
-ATOM    260  C   GLN A 169      -1.450 -29.176  40.037  1.00  3.85           C  
-ATOM    261  O   GLN A 169      -0.564 -29.580  39.290  1.00  4.11           O  
-ATOM    262  CB  GLN A 169      -1.034 -27.004  41.153  1.00  4.09           C  
-ATOM    263  CG  GLN A 169      -1.005 -25.491  41.045  1.00  4.40           C  
-ATOM    264  CD  GLN A 169      -0.149 -24.855  42.126  1.00  4.76           C  
-ATOM    265  OE1 GLN A 169      -0.307 -25.146  43.315  1.00  4.78           O  
-ATOM    266  NE2 GLN A 169       0.759 -23.980  41.718  1.00  4.69           N  
-ATOM    267  N   VAL A 170      -2.109 -29.973  40.875  1.00  3.71           N  
-ATOM    268  CA  VAL A 170      -1.839 -31.412  40.929  1.00  3.59           C  
-ATOM    269  C   VAL A 170      -2.324 -32.112  39.653  1.00  3.67           C  
-ATOM    270  O   VAL A 170      -1.592 -32.908  39.064  1.00  3.82           O  
-ATOM    271  CB  VAL A 170      -2.476 -32.077  42.172  1.00  3.56           C  
-ATOM    272  CG1 VAL A 170      -2.237 -33.582  42.160  1.00  3.13           C  
-ATOM    273  CG2 VAL A 170      -1.917 -31.465  43.447  1.00  3.21           C  
-ATOM    274  N   LEU A 171      -3.543 -31.799  39.224  1.00  3.67           N  
-ATOM    275  CA  LEU A 171      -4.132 -32.418  38.032  1.00  3.69           C  
-ATOM    276  C   LEU A 171      -3.452 -31.993  36.732  1.00  3.65           C  
-ATOM    277  O   LEU A 171      -3.109 -32.837  35.905  1.00  3.64           O  
-ATOM    278  CB  LEU A 171      -5.629 -32.098  37.939  1.00  3.70           C  
-ATOM    279  CG  LEU A 171      -6.518 -32.628  39.067  1.00  3.89           C  
-ATOM    280  CD1 LEU A 171      -7.955 -32.153  38.878  1.00  3.93           C  
-ATOM    281  CD2 LEU A 171      -6.455 -34.147  39.146  1.00  3.98           C  
-ATOM    282  N   ASN A 172      -3.260 -30.690  36.551  1.00  3.64           N  
-ATOM    283  CA  ASN A 172      -2.797 -30.158  35.264  1.00  3.66           C  
-ATOM    284  C   ASN A 172      -1.283 -30.052  35.123  1.00  3.60           C  
-ATOM    285  O   ASN A 172      -0.792 -29.657  34.068  1.00  3.63           O  
-ATOM    286  CB  ASN A 172      -3.443 -28.802  34.988  1.00  3.64           C  
-ATOM    287  CG  ASN A 172      -4.956 -28.875  34.980  1.00  3.97           C  
-ATOM    288  OD1 ASN A 172      -5.540 -29.867  34.535  1.00  3.91           O  
-ATOM    289  ND2 ASN A 172      -5.602 -27.826  35.479  1.00  4.49           N  
-ATOM    290  N   SER A 173      -0.547 -30.400  36.174  1.00  3.62           N  
-ATOM    291  CA  SER A 173       0.915 -30.421  36.106  1.00  3.69           C  
-ATOM    292  C   SER A 173       1.484 -31.774  36.545  1.00  3.55           C  
-ATOM    293  O   SER A 173       1.999 -32.520  35.717  1.00  3.64           O  
-ATOM    294  CB  SER A 173       1.516 -29.276  36.927  1.00  3.79           C  
-ATOM    295  OG  SER A 173       2.911 -29.175  36.698  1.00  3.88           O  
-ATOM    296  N   VAL A 174       1.371 -32.097  37.830  0.60  3.41           N  
-ATOM    297  CA  VAL A 174       1.962 -33.326  38.374  0.60  3.27           C  
-ATOM    298  C   VAL A 174       1.353 -34.595  37.767  0.60  3.23           C  
-ATOM    299  O   VAL A 174       2.061 -35.575  37.544  0.60  3.11           O  
-ATOM    300  CB  VAL A 174       1.839 -33.373  39.917  0.60  3.24           C  
-ATOM    301  CG1 VAL A 174       2.306 -34.715  40.466  0.60  3.03           C  
-ATOM    302  CG2 VAL A 174       2.637 -32.242  40.539  0.60  3.12           C  
-ATOM    303  N   LEU A 175       0.050 -34.568  37.495  1.00  3.23           N  
-ATOM    304  CA  LEU A 175      -0.654 -35.729  36.935  1.00  3.28           C  
-ATOM    305  C   LEU A 175      -1.239 -35.463  35.543  1.00  3.27           C  
-ATOM    306  O   LEU A 175      -2.267 -36.038  35.178  1.00  3.22           O  
-ATOM    307  CB  LEU A 175      -1.774 -36.174  37.881  1.00  3.29           C  
-ATOM    308  CG  LEU A 175      -1.379 -36.539  39.312  1.00  3.35           C  
-ATOM    309  CD1 LEU A 175      -2.623 -36.863  40.133  1.00  3.30           C  
-ATOM    310  CD2 LEU A 175      -0.410 -37.708  39.325  1.00  3.02           C  
-ATOM    311  N   ARG A 176      -0.577 -34.614  34.759  1.00  3.29           N  
-ATOM    312  CA  ARG A 176      -1.059 -34.270  33.419  1.00  3.32           C  
-ATOM    313  C   ARG A 176      -0.999 -35.455  32.449  1.00  3.44           C  
-ATOM    314  O   ARG A 176      -1.841 -35.560  31.554  1.00  3.44           O  
-ATOM    315  CB  ARG A 176      -0.275 -33.080  32.849  1.00  3.28           C  
-ATOM    316  CG  ARG A 176      -0.735 -32.597  31.463  1.00  3.24           C  
-ATOM    317  CD  ARG A 176      -2.175 -32.076  31.470  1.00  3.09           C  
-ATOM    318  NE  ARG A 176      -2.661 -31.756  30.127  1.00  2.79           N  
-ATOM    319  CZ  ARG A 176      -3.052 -32.654  29.220  1.00  2.67           C  
-ATOM    320  NH1 ARG A 176      -3.017 -33.957  29.485  1.00  2.55           N  
-ATOM    321  NH2 ARG A 176      -3.478 -32.246  28.030  1.00  2.48           N  
-ATOM    322  N   GLU A 177      -0.024 -36.348  32.634  1.00  3.49           N  
-ATOM    323  CA  GLU A 177       0.148 -37.507  31.742  1.00  3.60           C  
-ATOM    324  C   GLU A 177      -0.872 -38.631  31.998  1.00  3.48           C  
-ATOM    325  O   GLU A 177      -0.737 -39.730  31.453  1.00  3.43           O  
-ATOM    326  CB  GLU A 177       1.581 -38.059  31.834  1.00  3.71           C  
-ATOM    327  CG  GLU A 177       2.672 -37.113  31.293  1.00  4.20           C  
-ATOM    328  CD  GLU A 177       2.847 -37.149  29.766  1.00  5.14           C  
-ATOM    329  OE1 GLU A 177       2.558 -38.186  29.122  1.00  5.62           O  
-ATOM    330  OE2 GLU A 177       3.308 -36.132  29.205  1.00  5.74           O  
-ATOM    331  N   PHE A 178      -1.878 -38.356  32.826  1.00  3.39           N  
-ATOM    332  CA  PHE A 178      -3.007 -39.260  33.028  1.00  3.39           C  
-ATOM    333  C   PHE A 178      -4.315 -38.523  32.753  1.00  3.43           C  
-ATOM    334  O   PHE A 178      -4.458 -37.345  33.096  1.00  3.36           O  
-ATOM    335  CB  PHE A 178      -3.015 -39.798  34.459  1.00  3.38           C  
-ATOM    336  CG  PHE A 178      -1.700 -40.368  34.894  1.00  3.37           C  
-ATOM    337  CD1 PHE A 178      -1.312 -41.639  34.489  1.00  3.27           C  
-ATOM    338  CD2 PHE A 178      -0.842 -39.631  35.699  1.00  3.35           C  
-ATOM    339  CE1 PHE A 178      -0.096 -42.168  34.884  1.00  3.32           C  
-ATOM    340  CE2 PHE A 178       0.376 -40.153  36.100  1.00  3.38           C  
-ATOM    341  CZ  PHE A 178       0.752 -41.426  35.691  1.00  3.43           C  
-ATOM    342  N   THR A 179      -5.269 -39.225  32.148  1.00  3.46           N  
-ATOM    343  CA  THR A 179      -6.563 -38.634  31.797  1.00  3.48           C  
-ATOM    344  C   THR A 179      -7.414 -38.375  33.040  1.00  3.49           C  
-ATOM    345  O   THR A 179      -7.208 -39.001  34.081  1.00  3.58           O  
-ATOM    346  CB  THR A 179      -7.354 -39.539  30.829  1.00  3.47           C  
-ATOM    347  OG1 THR A 179      -7.653 -40.787  31.466  1.00  3.48           O  
-ATOM    348  CG2 THR A 179      -6.552 -39.800  29.565  1.00  3.35           C  
-ATOM    349  N   LEU A 180      -8.366 -37.452  32.928  1.00  3.47           N  
-ATOM    350  CA  LEU A 180      -9.282 -37.156  34.032  1.00  3.46           C  
-ATOM    351  C   LEU A 180     -10.157 -38.359  34.369  1.00  3.53           C  
-ATOM    352  O   LEU A 180     -10.480 -38.584  35.532  1.00  3.63           O  
-ATOM    353  CB  LEU A 180     -10.171 -35.948  33.714  1.00  3.41           C  
-ATOM    354  CG  LEU A 180      -9.545 -34.561  33.861  1.00  3.21           C  
-ATOM    355  CD1 LEU A 180     -10.553 -33.495  33.467  1.00  2.92           C  
-ATOM    356  CD2 LEU A 180      -9.050 -34.329  35.278  1.00  3.02           C  
-ATOM    357  N   GLN A 181     -10.540 -39.122  33.349  1.00  3.57           N  
-ATOM    358  CA  GLN A 181     -11.319 -40.343  33.545  1.00  3.60           C  
-ATOM    359  C   GLN A 181     -10.580 -41.326  34.454  1.00  3.64           C  
-ATOM    360  O   GLN A 181     -11.179 -41.918  35.351  1.00  3.66           O  
-ATOM    361  CB  GLN A 181     -11.618 -41.005  32.199  1.00  3.61           C  
-ATOM    362  CG  GLN A 181     -12.508 -42.241  32.283  1.00  3.63           C  
-ATOM    363  CD  GLN A 181     -12.591 -42.989  30.967  1.00  3.57           C  
-ATOM    364  OE1 GLN A 181     -12.640 -42.383  29.897  1.00  3.62           O  
-ATOM    365  NE2 GLN A 181     -12.609 -44.315  31.040  1.00  3.34           N  
-ATOM    366  N   GLN A 182      -9.281 -41.491  34.214  1.00  3.67           N  
-ATOM    367  CA  GLN A 182      -8.459 -42.419  34.991  1.00  3.73           C  
-ATOM    368  C   GLN A 182      -8.139 -41.867  36.377  1.00  3.71           C  
-ATOM    369  O   GLN A 182      -8.148 -42.610  37.360  1.00  3.75           O  
-ATOM    370  CB  GLN A 182      -7.160 -42.739  34.248  1.00  3.78           C  
-ATOM    371  CG  GLN A 182      -6.349 -43.867  34.880  1.00  4.04           C  
-ATOM    372  CD  GLN A 182      -5.189 -44.319  34.011  1.00  4.43           C  
-ATOM    373  OE1 GLN A 182      -4.911 -43.727  32.964  1.00  4.70           O  
-ATOM    374  NE2 GLN A 182      -4.504 -45.373  34.444  1.00  4.32           N  
-ATOM    375  N   ILE A 183      -7.842 -40.570  36.446  1.00  3.64           N  
-ATOM    376  CA  ILE A 183      -7.607 -39.894  37.722  1.00  3.59           C  
-ATOM    377  C   ILE A 183      -8.805 -40.061  38.657  1.00  3.57           C  
-ATOM    378  O   ILE A 183      -8.638 -40.387  39.834  1.00  3.58           O  
-ATOM    379  CB  ILE A 183      -7.306 -38.386  37.522  1.00  3.63           C  
-ATOM    380  CG1 ILE A 183      -5.891 -38.195  36.967  1.00  3.57           C  
-ATOM    381  CG2 ILE A 183      -7.443 -37.623  38.834  1.00  3.47           C  
-ATOM    382  CD1 ILE A 183      -5.584 -36.771  36.553  1.00  3.37           C  
-ATOM    383  N   ASN A 184     -10.006 -39.845  38.122  1.00  3.50           N  
-ATOM    384  CA  ASN A 184     -11.247 -40.003  38.888  1.00  3.46           C  
-ATOM    385  C   ASN A 184     -11.511 -41.456  39.281  1.00  3.44           C  
-ATOM    386  O   ASN A 184     -12.024 -41.725  40.366  1.00  3.42           O  
-ATOM    387  CB  ASN A 184     -12.447 -39.458  38.102  1.00  3.43           C  
-ATOM    388  CG  ASN A 184     -12.362 -37.958  37.857  1.00  3.33           C  
-ATOM    389  OD1 ASN A 184     -11.870 -37.202  38.694  1.00  3.34           O  
-ATOM    390  ND2 ASN A 184     -12.848 -37.522  36.703  1.00  3.37           N  
-ATOM    391  N   THR A 185     -11.162 -42.384  38.392  1.00  3.48           N  
-ATOM    392  CA  THR A 185     -11.313 -43.819  38.654  1.00  3.47           C  
-ATOM    393  C   THR A 185     -10.446 -44.260  39.831  1.00  3.45           C  
-ATOM    394  O   THR A 185     -10.892 -45.029  40.683  1.00  3.44           O  
-ATOM    395  CB  THR A 185     -10.950 -44.666  37.410  1.00  3.44           C  
-ATOM    396  OG1 THR A 185     -11.849 -44.356  36.339  1.00  3.43           O  
-ATOM    397  CG2 THR A 185     -11.033 -46.157  37.720  1.00  3.29           C  
-ATOM    398  N   VAL A 186      -9.209 -43.772  39.869  1.00  3.44           N  
-ATOM    399  CA  VAL A 186      -8.299 -44.061  40.976  1.00  3.44           C  
-ATOM    400  C   VAL A 186      -8.825 -43.451  42.276  1.00  3.46           C  
-ATOM    401  O   VAL A 186      -8.851 -44.116  43.310  1.00  3.41           O  
-ATOM    402  CB  VAL A 186      -6.877 -43.535  40.690  1.00  3.43           C  
-ATOM    403  CG1 VAL A 186      -5.979 -43.716  41.907  1.00  3.47           C  
-ATOM    404  CG2 VAL A 186      -6.287 -44.242  39.483  1.00  3.34           C  
-ATOM    405  N   CYS A 187      -9.258 -42.193  42.207  1.00  3.54           N  
-ATOM    406  CA  CYS A 187      -9.805 -41.485  43.372  1.00  3.58           C  
-ATOM    407  C   CYS A 187     -10.993 -42.213  44.002  1.00  3.61           C  
-ATOM    408  O   CYS A 187     -11.066 -42.340  45.224  1.00  3.62           O  
-ATOM    409  CB  CYS A 187     -10.211 -40.057  42.998  1.00  3.54           C  
-ATOM    410  SG  CYS A 187      -8.819 -38.925  42.856  1.00  3.52           S  
-ATOM    411  N   ASP A 188     -11.918 -42.682  43.169  1.00  3.64           N  
-ATOM    412  CA  ASP A 188     -13.035 -43.505  43.639  1.00  3.70           C  
-ATOM    413  C   ASP A 188     -12.539 -44.783  44.310  1.00  3.74           C  
-ATOM    414  O   ASP A 188     -13.110 -45.226  45.303  1.00  3.84           O  
-ATOM    415  CB  ASP A 188     -13.971 -43.877  42.481  1.00  3.70           C  
-ATOM    416  CG  ASP A 188     -14.872 -42.729  42.051  1.00  3.79           C  
-ATOM    417  OD1 ASP A 188     -15.633 -42.918  41.077  1.00  4.09           O  
-ATOM    418  OD2 ASP A 188     -14.832 -41.648  42.677  1.00  3.90           O  
-ATOM    419  N   GLU A 189     -11.474 -45.363  43.760  1.00  3.75           N  
-ATOM    420  CA  GLU A 189     -10.923 -46.628  44.256  1.00  3.77           C  
-ATOM    421  C   GLU A 189     -10.247 -46.451  45.619  1.00  3.62           C  
-ATOM    422  O   GLU A 189     -10.459 -47.250  46.532  1.00  3.50           O  
-ATOM    423  CB  GLU A 189      -9.915 -47.210  43.251  1.00  3.85           C  
-ATOM    424  CG  GLU A 189     -10.091 -48.701  42.974  1.00  4.18           C  
-ATOM    425  CD  GLU A 189     -11.239 -49.005  42.014  1.00  4.79           C  
-ATOM    426  OE1 GLU A 189     -11.815 -48.059  41.432  1.00  5.25           O  
-ATOM    427  OE2 GLU A 189     -11.562 -50.200  41.832  1.00  5.26           O  
-ATOM    428  N   LEU A 190      -9.437 -45.402  45.744  1.00  3.54           N  
-ATOM    429  CA  LEU A 190      -8.688 -45.128  46.976  1.00  3.50           C  
-ATOM    430  C   LEU A 190      -9.446 -44.242  47.979  1.00  3.42           C  
-ATOM    431  O   LEU A 190      -8.903 -43.890  49.022  1.00  3.35           O  
-ATOM    432  CB  LEU A 190      -7.343 -44.479  46.636  1.00  3.49           C  
-ATOM    433  CG  LEU A 190      -6.501 -45.167  45.559  1.00  3.53           C  
-ATOM    434  CD1 LEU A 190      -5.145 -44.480  45.438  1.00  3.56           C  
-ATOM    435  CD2 LEU A 190      -6.332 -46.647  45.854  1.00  3.43           C  
-ATOM    436  N   TYR A 191     -10.690 -43.889  47.661  1.00  3.43           N  
-ATOM    437  CA  TYR A 191     -11.540 -43.073  48.539  1.00  3.39           C  
-ATOM    438  C   TYR A 191     -10.920 -41.705  48.822  1.00  3.33           C  
-ATOM    439  O   TYR A 191     -10.831 -41.279  49.971  1.00  3.27           O  
-ATOM    440  CB  TYR A 191     -11.854 -43.814  49.847  1.00  3.38           C  
-ATOM    441  CG  TYR A 191     -12.454 -45.184  49.629  1.00  3.54           C  
-ATOM    442  CD1 TYR A 191     -11.650 -46.319  49.580  1.00  3.79           C  
-ATOM    443  CD2 TYR A 191     -13.825 -45.344  49.456  1.00  3.84           C  
-ATOM    444  CE1 TYR A 191     -12.196 -47.575  49.369  1.00  3.98           C  
-ATOM    445  CE2 TYR A 191     -14.381 -46.598  49.246  1.00  3.82           C  
-ATOM    446  CZ  TYR A 191     -13.563 -47.708  49.202  1.00  3.96           C  
-ATOM    447  OH  TYR A 191     -14.112 -48.952  48.994  1.00  4.40           O  
-ATOM    448  N   ILE A 192     -10.499 -41.024  47.760  1.00  3.35           N  
-ATOM    449  CA  ILE A 192      -9.898 -39.699  47.884  1.00  3.42           C  
-ATOM    450  C   ILE A 192     -10.982 -38.648  48.139  1.00  3.57           C  
-ATOM    451  O   ILE A 192     -11.867 -38.438  47.312  1.00  3.47           O  
-ATOM    452  CB  ILE A 192      -9.078 -39.309  46.631  1.00  3.40           C  
-ATOM    453  CG1 ILE A 192      -7.929 -40.300  46.397  1.00  3.25           C  
-ATOM    454  CG2 ILE A 192      -8.524 -37.892  46.774  1.00  3.07           C  
-ATOM    455  CD1 ILE A 192      -6.891 -40.310  47.486  1.00  2.77           C  
-ATOM    456  N   TYR A 193     -10.892 -37.992  49.291  1.00  3.73           N  
-ATOM    457  CA  TYR A 193     -11.875 -36.999  49.711  1.00  3.88           C  
-ATOM    458  C   TYR A 193     -11.475 -35.617  49.198  1.00  3.90           C  
-ATOM    459  O   TYR A 193     -10.703 -34.917  49.849  1.00  4.28           O  
-ATOM    460  CB  TYR A 193     -11.974 -37.000  51.250  1.00  3.88           C  
-ATOM    461  CG  TYR A 193     -12.969 -36.015  51.826  1.00  4.05           C  
-ATOM    462  CD1 TYR A 193     -12.580 -34.720  52.163  1.00  4.11           C  
-ATOM    463  CD2 TYR A 193     -14.299 -36.379  52.045  1.00  4.33           C  
-ATOM    464  CE1 TYR A 193     -13.484 -33.813  52.686  1.00  4.00           C  
-ATOM    465  CE2 TYR A 193     -15.213 -35.476  52.576  1.00  3.97           C  
-ATOM    466  CZ  TYR A 193     -14.798 -34.193  52.891  1.00  4.15           C  
-ATOM    467  OH  TYR A 193     -15.694 -33.285  53.412  1.00  4.39           O  
-ATOM    468  N   CYS A 194     -11.973 -35.220  48.032  1.00  3.83           N  
-ATOM    469  CA  CYS A 194     -11.703 -33.860  47.531  1.00  3.96           C  
-ATOM    470  C   CYS A 194     -12.818 -32.882  47.931  1.00  3.67           C  
-ATOM    471  O   CYS A 194     -13.992 -33.253  47.998  1.00  3.56           O  
-ATOM    472  CB  CYS A 194     -11.469 -33.840  46.012  1.00  4.04           C  
-ATOM    473  SG  CYS A 194      -9.730 -34.023  45.517  1.00  4.93           S  
-ATOM    474  N   SER A 195     -12.418 -31.641  48.204  1.00  3.39           N  
-ATOM    475  CA  SER A 195     -13.314 -30.589  48.678  1.00  3.28           C  
-ATOM    476  C   SER A 195     -12.975 -29.250  48.021  1.00  3.17           C  
-ATOM    477  O   SER A 195     -11.900 -29.088  47.444  1.00  3.02           O  
-ATOM    478  CB  SER A 195     -13.199 -30.447  50.195  1.00  3.30           C  
-ATOM    479  OG  SER A 195     -11.880 -30.083  50.570  1.00  3.17           O  
-ATOM    480  N   ARG A 196     -13.888 -28.291  48.133  1.00  3.00           N  
-ATOM    481  CA  ARG A 196     -13.736 -26.996  47.473  1.00  2.97           C  
-ATOM    482  C   ARG A 196     -13.185 -25.937  48.421  1.00  2.97           C  
-ATOM    483  O   ARG A 196     -13.486 -25.953  49.613  1.00  2.89           O  
-ATOM    484  CB  ARG A 196     -15.080 -26.545  46.901  1.00  2.85           C  
-ATOM    485  CG  ARG A 196     -15.572 -27.438  45.766  1.00  2.66           C  
-ATOM    486  CD  ARG A 196     -15.235 -26.891  44.387  1.00  2.36           C  
-ATOM    487  NE  ARG A 196     -16.371 -26.160  43.827  1.00  2.28           N  
-ATOM    488  CZ  ARG A 196     -17.137 -26.566  42.814  1.00  2.00           C  
-ATOM    489  NH1 ARG A 196     -16.911 -27.711  42.178  1.00  2.00           N  
-ATOM    490  NH2 ARG A 196     -18.143 -25.796  42.418  1.00  2.23           N  
-ATOM    491  N  ACYS A 197     -12.377 -25.028  47.866  0.50  2.97           N  
-ATOM    492  N  BCYS A 197     -12.372 -25.025  47.900  0.50  3.01           N  
-ATOM    493  CA ACYS A 197     -11.835 -23.872  48.588  0.50  2.93           C  
-ATOM    494  CA BCYS A 197     -11.815 -23.964  48.727  0.50  3.00           C  
-ATOM    495  C  ACYS A 197     -12.956 -22.946  49.035  0.50  3.00           C  
-ATOM    496  C  BCYS A 197     -12.888 -22.915  49.004  0.50  3.03           C  
-ATOM    497  O  ACYS A 197     -14.018 -22.911  48.416  0.50  2.91           O  
-ATOM    498  O  BCYS A 197     -13.844 -22.776  48.244  0.50  2.93           O  
-ATOM    499  CB ACYS A 197     -10.894 -23.060  47.685  0.50  2.91           C  
-ATOM    500  CB BCYS A 197     -10.600 -23.326  48.054  0.50  2.99           C  
-ATOM    501  SG ACYS A 197      -9.232 -23.732  47.399  0.50  2.43           S  
-ATOM    502  SG BCYS A 197     -10.998 -22.034  46.873  0.50  2.79           S  
-ATOM    503  N   THR A 198     -12.714 -22.190  50.103  1.00  3.10           N  
-ATOM    504  CA  THR A 198     -13.629 -21.122  50.514  1.00  3.19           C  
-ATOM    505  C   THR A 198     -13.442 -19.934  49.572  1.00  3.29           C  
-ATOM    506  O   THR A 198     -12.444 -19.863  48.848  1.00  3.12           O  
-ATOM    507  CB  THR A 198     -13.329 -20.644  51.945  1.00  3.15           C  
-ATOM    508  OG1 THR A 198     -12.029 -20.037  51.977  1.00  4.13           O  
-ATOM    509  CG2 THR A 198     -13.356 -21.804  52.931  1.00  2.67           C  
-ATOM    510  N   SER A 199     -14.382 -18.994  49.588  1.00  3.27           N  
-ATOM    511  CA  SER A 199     -14.247 -17.797  48.754  1.00  3.36           C  
-ATOM    512  C   SER A 199     -12.991 -16.989  49.133  1.00  3.39           C  
-ATOM    513  O   SER A 199     -12.346 -16.404  48.262  1.00  3.42           O  
-ATOM    514  CB  SER A 199     -15.501 -16.923  48.839  1.00  3.16           C  
-ATOM    515  OG  SER A 199     -15.535 -16.222  50.062  1.00  3.29           O  
-ATOM    516  N   ASP A 200     -12.654 -16.967  50.424  1.00  3.45           N  
-ATOM    517  CA  ASP A 200     -11.404 -16.356  50.901  1.00  3.65           C  
-ATOM    518  C   ASP A 200     -10.173 -17.059  50.317  1.00  3.59           C  
-ATOM    519  O   ASP A 200      -9.261 -16.396  49.830  1.00  3.99           O  
-ATOM    520  CB  ASP A 200     -11.317 -16.394  52.433  1.00  3.62           C  
-ATOM    521  CG  ASP A 200     -12.111 -15.288  53.108  1.00  4.22           C  
-ATOM    522  OD1 ASP A 200     -12.204 -15.328  54.357  1.00  4.81           O  
-ATOM    523  OD2 ASP A 200     -12.637 -14.380  52.419  1.00  4.94           O  
-ATOM    524  N   GLN A 201     -10.150 -18.390  50.374  1.00  3.48           N  
-ATOM    525  CA  GLN A 201      -9.037 -19.175  49.810  1.00  3.53           C  
-ATOM    526  C   GLN A 201      -8.938 -19.024  48.297  1.00  3.49           C  
-ATOM    527  O   GLN A 201      -7.842 -18.905  47.754  1.00  3.67           O  
-ATOM    528  CB  GLN A 201      -9.168 -20.654  50.167  1.00  3.41           C  
-ATOM    529  CG  GLN A 201      -8.764 -20.973  51.602  1.00  3.89           C  
-ATOM    530  CD  GLN A 201      -9.459 -22.209  52.170  1.00  3.89           C  
-ATOM    531  OE1 GLN A 201     -10.316 -22.811  51.517  1.00  3.37           O  
-ATOM    532  NE2 GLN A 201      -9.091 -22.587  53.395  1.00  3.23           N  
-ATOM    533  N   LEU A 202     -10.084 -19.030  47.623  1.00  3.39           N  
-ATOM    534  CA  LEU A 202     -10.126 -18.812  46.180  1.00  3.24           C  
-ATOM    535  C   LEU A 202      -9.447 -17.497  45.799  1.00  3.20           C  
-ATOM    536  O   LEU A 202      -8.638 -17.462  44.880  1.00  3.28           O  
-ATOM    537  CB  LEU A 202     -11.569 -18.810  45.669  1.00  2.98           C  
-ATOM    538  CG  LEU A 202     -11.751 -18.716  44.150  1.00  2.95           C  
-ATOM    539  CD1 LEU A 202     -10.995 -19.834  43.423  1.00  2.00           C  
-ATOM    540  CD2 LEU A 202     -13.242 -18.720  43.785  1.00  2.00           C  
-ATOM    541  N   HIS A 203      -9.767 -16.425  46.515  1.00  3.13           N  
-ATOM    542  CA  HIS A 203      -9.266 -15.101  46.166  1.00  3.12           C  
-ATOM    543  C   HIS A 203      -7.775 -14.930  46.458  1.00  3.10           C  
-ATOM    544  O   HIS A 203      -7.065 -14.295  45.686  1.00  2.82           O  
-ATOM    545  CB  HIS A 203     -10.055 -14.013  46.881  1.00  3.21           C  
-ATOM    546  CG  HIS A 203      -9.791 -12.642  46.344  1.00  3.22           C  
-ATOM    547  ND1 HIS A 203      -8.779 -11.835  46.821  1.00  2.56           N  
-ATOM    548  CD2 HIS A 203     -10.395 -11.946  45.352  1.00  3.21           C  
-ATOM    549  CE1 HIS A 203      -8.782 -10.694  46.156  1.00  2.51           C  
-ATOM    550  NE2 HIS A 203      -9.747 -10.738  45.256  1.00  3.39           N  
-ATOM    551  N   ILE A 204      -7.315 -15.490  47.572  1.00  3.16           N  
-ATOM    552  CA  ILE A 204      -5.890 -15.512  47.900  1.00  3.05           C  
-ATOM    553  C   ILE A 204      -5.087 -16.211  46.797  1.00  3.09           C  
-ATOM    554  O   ILE A 204      -4.014 -15.732  46.399  1.00  3.05           O  
-ATOM    555  CB  ILE A 204      -5.637 -16.203  49.265  1.00  3.15           C  
-ATOM    556  CG1 ILE A 204      -6.173 -15.330  50.405  1.00  3.02           C  
-ATOM    557  CG2 ILE A 204      -4.163 -16.459  49.491  1.00  2.61           C  
-ATOM    558  CD1 ILE A 204      -6.284 -16.050  51.720  1.00  2.51           C  
-ATOM    559  N   LEU A 205      -5.608 -17.328  46.294  1.00  3.06           N  
-ATOM    560  CA  LEU A 205      -4.932 -18.063  45.220  1.00  3.27           C  
-ATOM    561  C   LEU A 205      -4.790 -17.219  43.950  1.00  3.34           C  
-ATOM    562  O   LEU A 205      -3.849 -17.394  43.192  1.00  3.27           O  
-ATOM    563  CB  LEU A 205      -5.651 -19.383  44.915  1.00  3.22           C  
-ATOM    564  CG  LEU A 205      -5.400 -20.531  45.898  1.00  3.07           C  
-ATOM    565  CD1 LEU A 205      -6.397 -21.641  45.668  1.00  3.21           C  
-ATOM    566  CD2 LEU A 205      -3.982 -21.070  45.783  1.00  3.10           C  
-ATOM    567  N   LYS A 206      -5.724 -16.296  43.736  1.00  3.59           N  
-ATOM    568  CA  LYS A 206      -5.659 -15.378  42.605  1.00  3.65           C  
-ATOM    569  C   LYS A 206      -4.643 -14.256  42.834  1.00  3.80           C  
-ATOM    570  O   LYS A 206      -3.771 -14.022  41.984  1.00  4.09           O  
-ATOM    571  CB  LYS A 206      -7.049 -14.805  42.313  1.00  3.79           C  
-ATOM    572  CG  LYS A 206      -8.029 -15.858  41.804  1.00  3.59           C  
-ATOM    573  CD  LYS A 206      -9.474 -15.397  41.882  1.00  3.53           C  
-ATOM    574  CE  LYS A 206     -10.402 -16.384  41.179  1.00  3.39           C  
-ATOM    575  NZ  LYS A 206     -11.809 -15.906  41.117  1.00  3.44           N  
-ATOM    576  N   VAL A 207      -4.718 -13.580  43.978  1.00  3.74           N  
-ATOM    577  CA  VAL A 207      -3.846 -12.416  44.209  1.00  3.77           C  
-ATOM    578  C   VAL A 207      -2.372 -12.838  44.277  1.00  3.80           C  
-ATOM    579  O   VAL A 207      -1.501 -12.153  43.744  1.00  3.87           O  
-ATOM    580  CB  VAL A 207      -4.224 -11.568  45.475  1.00  3.80           C  
-ATOM    581  CG1 VAL A 207      -5.738 -11.493  45.675  1.00  2.88           C  
-ATOM    582  CG2 VAL A 207      -3.531 -12.082  46.722  1.00  4.11           C  
-ATOM    583  N   LEU A 208      -2.111 -13.979  44.912  1.00  3.84           N  
-ATOM    584  CA  LEU A 208      -0.759 -14.523  45.016  1.00  3.84           C  
-ATOM    585  C   LEU A 208      -0.307 -15.276  43.752  1.00  3.97           C  
-ATOM    586  O   LEU A 208       0.764 -15.887  43.731  1.00  4.27           O  
-ATOM    587  CB  LEU A 208      -0.633 -15.395  46.268  1.00  3.72           C  
-ATOM    588  CG  LEU A 208      -0.845 -14.639  47.589  1.00  3.86           C  
-ATOM    589  CD1 LEU A 208      -0.708 -15.566  48.797  1.00  4.00           C  
-ATOM    590  CD2 LEU A 208       0.114 -13.472  47.722  1.00  3.46           C  
-ATOM    591  N   GLY A 209      -1.116 -15.218  42.697  1.00  4.10           N  
-ATOM    592  CA  GLY A 209      -0.657 -15.529  41.342  1.00  4.02           C  
-ATOM    593  C   GLY A 209      -0.729 -16.985  40.925  1.00  4.12           C  
-ATOM    594  O   GLY A 209      -0.136 -17.363  39.914  1.00  3.94           O  
-ATOM    595  N   ILE A 210      -1.466 -17.804  41.673  1.00  4.15           N  
-ATOM    596  CA  ILE A 210      -1.532 -19.242  41.384  1.00  4.19           C  
-ATOM    597  C   ILE A 210      -2.658 -19.584  40.411  1.00  4.15           C  
-ATOM    598  O   ILE A 210      -2.494 -20.448  39.546  1.00  4.24           O  
-ATOM    599  CB  ILE A 210      -1.699 -20.081  42.660  1.00  4.20           C  
-ATOM    600  CG1 ILE A 210      -0.602 -19.736  43.677  1.00  4.07           C  
-ATOM    601  CG2 ILE A 210      -1.660 -21.575  42.314  1.00  4.29           C  
-ATOM    602  CD1 ILE A 210       0.814 -20.010  43.178  1.00  3.83           C  
-ATOM    603  N   LEU A 211      -3.792 -18.908  40.558  1.00  4.16           N  
-ATOM    604  CA  LEU A 211      -4.956 -19.150  39.705  1.00  4.16           C  
-ATOM    605  C   LEU A 211      -5.333 -17.924  38.874  1.00  4.18           C  
-ATOM    606  O   LEU A 211      -5.112 -16.787  39.299  1.00  4.17           O  
-ATOM    607  CB  LEU A 211      -6.164 -19.551  40.548  1.00  4.04           C  
-ATOM    608  CG  LEU A 211      -6.120 -20.897  41.270  1.00  4.14           C  
-ATOM    609  CD1 LEU A 211      -7.506 -21.183  41.873  1.00  4.02           C  
-ATOM    610  CD2 LEU A 211      -5.686 -22.029  40.341  1.00  3.50           C  
-ATOM    611  N   PRO A 212      -5.907 -18.154  37.682  1.00  4.16           N  
-ATOM    612  CA  PRO A 212      -6.447 -17.040  36.924  1.00  4.09           C  
-ATOM    613  C   PRO A 212      -7.644 -16.433  37.651  1.00  3.97           C  
-ATOM    614  O   PRO A 212      -8.404 -17.155  38.287  1.00  4.09           O  
-ATOM    615  CB  PRO A 212      -6.875 -17.688  35.601  1.00  4.17           C  
-ATOM    616  CG  PRO A 212      -7.042 -19.130  35.904  1.00  4.21           C  
-ATOM    617  CD  PRO A 212      -6.034 -19.430  36.952  1.00  4.28           C  
-ATOM    618  N   PHE A 213      -7.796 -15.117  37.550  1.00  3.76           N  
-ATOM    619  CA  PHE A 213      -8.839 -14.399  38.270  1.00  3.66           C  
-ATOM    620  C   PHE A 213     -10.263 -14.786  37.853  1.00  3.72           C  
-ATOM    621  O   PHE A 213     -11.199 -14.592  38.631  1.00  3.88           O  
-ATOM    622  CB  PHE A 213      -8.639 -12.881  38.154  1.00  3.52           C  
-ATOM    623  CG  PHE A 213      -7.766 -12.298  39.240  1.00  3.45           C  
-ATOM    624  CD1 PHE A 213      -6.378 -12.410  39.180  1.00  2.87           C  
-ATOM    625  CD2 PHE A 213      -8.330 -11.635  40.324  1.00  2.81           C  
-ATOM    626  CE1 PHE A 213      -5.575 -11.875  40.177  1.00  2.50           C  
-ATOM    627  CE2 PHE A 213      -7.530 -11.098  41.327  1.00  2.85           C  
-ATOM    628  CZ  PHE A 213      -6.149 -11.220  41.253  1.00  2.84           C  
-ATOM    629  N   ASN A 214     -10.432 -15.329  36.646  1.00  3.65           N  
-ATOM    630  CA  ASN A 214     -11.751 -15.807  36.196  1.00  3.50           C  
-ATOM    631  C   ASN A 214     -12.194 -17.108  36.867  1.00  3.51           C  
-ATOM    632  O   ASN A 214     -13.376 -17.453  36.815  1.00  3.59           O  
-ATOM    633  CB  ASN A 214     -11.778 -16.012  34.675  1.00  3.46           C  
-ATOM    634  CG  ASN A 214     -11.826 -14.706  33.896  1.00  3.34           C  
-ATOM    635  OD1 ASN A 214     -11.929 -13.620  34.466  1.00  3.09           O  
-ATOM    636  ND2 ASN A 214     -11.746 -14.813  32.576  1.00  2.90           N  
-ATOM    637  N   ALA A 215     -11.254 -17.832  37.477  1.00  3.46           N  
-ATOM    638  CA  ALA A 215     -11.546 -19.132  38.103  1.00  3.41           C  
-ATOM    639  C   ALA A 215     -12.767 -19.062  39.051  1.00  3.40           C  
-ATOM    640  O   ALA A 215     -12.741 -18.334  40.044  1.00  3.35           O  
-ATOM    641  CB  ALA A 215     -10.324 -19.644  38.848  1.00  2.95           C  
-ATOM    642  N   PRO A 216     -13.838 -19.817  38.744  1.00  3.46           N  
-ATOM    643  CA  PRO A 216     -15.052 -19.794  39.576  1.00  3.53           C  
-ATOM    644  C   PRO A 216     -14.923 -20.583  40.887  1.00  3.67           C  
-ATOM    645  O   PRO A 216     -15.617 -20.282  41.862  1.00  3.46           O  
-ATOM    646  CB  PRO A 216     -16.095 -20.449  38.671  1.00  3.47           C  
-ATOM    647  CG  PRO A 216     -15.314 -21.423  37.870  1.00  3.38           C  
-ATOM    648  CD  PRO A 216     -13.963 -20.778  37.633  1.00  3.47           C  
-ATOM    649  N   SER A 217     -14.049 -21.591  40.901  1.00  3.88           N  
-ATOM    650  CA  SER A 217     -13.826 -22.405  42.095  1.00  3.98           C  
-ATOM    651  C   SER A 217     -12.476 -23.098  42.036  1.00  4.11           C  
-ATOM    652  O   SER A 217     -11.783 -23.038  41.030  1.00  4.36           O  
-ATOM    653  CB  SER A 217     -14.925 -23.458  42.227  1.00  3.94           C  
-ATOM    654  OG  SER A 217     -14.940 -24.299  41.088  1.00  4.19           O  
-ATOM    655  N   CYS A 218     -12.110 -23.760  43.125  1.00  4.35           N  
-ATOM    656  CA  CYS A 218     -10.869 -24.518  43.175  1.00  4.49           C  
-ATOM    657  C   CYS A 218     -10.982 -25.660  44.169  1.00  4.51           C  
-ATOM    658  O   CYS A 218     -11.373 -25.457  45.322  1.00  4.69           O  
-ATOM    659  CB  CYS A 218      -9.711 -23.613  43.570  1.00  4.42           C  
-ATOM    660  SG  CYS A 218      -8.123 -24.396  43.372  1.00  5.62           S  
-ATOM    661  N   GLY A 219     -10.645 -26.862  43.713  1.00  4.41           N  
-ATOM    662  CA  GLY A 219     -10.624 -28.030  44.581  1.00  4.28           C  
-ATOM    663  C   GLY A 219      -9.374 -28.062  45.439  1.00  3.99           C  
-ATOM    664  O   GLY A 219      -8.361 -27.476  45.082  1.00  4.27           O  
-ATOM    665  N   LEU A 220      -9.460 -28.739  46.579  1.00  3.80           N  
-ATOM    666  CA  LEU A 220      -8.307 -28.996  47.428  1.00  3.69           C  
-ATOM    667  C   LEU A 220      -8.200 -30.490  47.702  1.00  3.72           C  
-ATOM    668  O   LEU A 220      -9.217 -31.173  47.898  1.00  3.88           O  
-ATOM    669  CB  LEU A 220      -8.413 -28.244  48.753  1.00  3.65           C  
-ATOM    670  CG  LEU A 220      -8.348 -26.720  48.691  1.00  3.59           C  
-ATOM    671  CD1 LEU A 220      -8.688 -26.121  50.050  1.00  3.07           C  
-ATOM    672  CD2 LEU A 220      -6.985 -26.252  48.214  1.00  3.09           C  
-ATOM    673  N   ILE A 221      -6.964 -30.982  47.715  1.00  3.56           N  
-ATOM    674  CA  ILE A 221      -6.661 -32.379  48.032  1.00  3.50           C  
-ATOM    675  C   ILE A 221      -5.649 -32.391  49.176  1.00  3.57           C  
-ATOM    676  O   ILE A 221      -4.702 -31.603  49.170  1.00  3.82           O  
-ATOM    677  CB  ILE A 221      -6.094 -33.112  46.799  1.00  3.44           C  
-ATOM    678  CG1 ILE A 221      -5.848 -34.595  47.098  1.00  3.48           C  
-ATOM    679  CG2 ILE A 221      -4.806 -32.457  46.324  1.00  3.07           C  
-ATOM    680  CD1 ILE A 221      -5.695 -35.450  45.842  1.00  2.40           C  
-ATOM    681  N   THR A 222      -5.846 -33.258  50.164  1.00  3.52           N  
-ATOM    682  CA  THR A 222      -4.889 -33.358  51.274  1.00  3.59           C  
-ATOM    683  C   THR A 222      -3.542 -33.887  50.770  1.00  3.63           C  
-ATOM    684  O   THR A 222      -3.493 -34.675  49.827  1.00  3.53           O  
-ATOM    685  CB  THR A 222      -5.394 -34.263  52.413  1.00  3.51           C  
-ATOM    686  OG1 THR A 222      -5.555 -35.603  51.934  1.00  3.78           O  
-ATOM    687  CG2 THR A 222      -6.716 -33.754  52.965  1.00  3.31           C  
-ATOM    688  N   LEU A 223      -2.455 -33.433  51.389  1.00  3.74           N  
-ATOM    689  CA  LEU A 223      -1.110 -33.902  51.027  1.00  3.92           C  
-ATOM    690  C   LEU A 223      -1.059 -35.427  51.031  1.00  3.98           C  
-ATOM    691  O   LEU A 223      -0.522 -36.044  50.113  1.00  4.08           O  
-ATOM    692  CB  LEU A 223      -0.047 -33.350  51.993  1.00  3.82           C  
-ATOM    693  CG  LEU A 223       1.414 -33.718  51.693  1.00  3.77           C  
-ATOM    694  CD1 LEU A 223       1.782 -33.326  50.275  1.00  3.64           C  
-ATOM    695  CD2 LEU A 223       2.376 -33.072  52.690  1.00  2.93           C  
-ATOM    696  N   THR A 224      -1.642 -36.021  52.066  1.00  4.05           N  
-ATOM    697  CA  THR A 224      -1.621 -37.468  52.233  1.00  4.18           C  
-ATOM    698  C   THR A 224      -2.395 -38.186  51.116  1.00  4.17           C  
-ATOM    699  O   THR A 224      -1.950 -39.228  50.630  1.00  4.27           O  
-ATOM    700  CB  THR A 224      -2.125 -37.880  53.640  1.00  4.01           C  
-ATOM    701  OG1 THR A 224      -1.929 -39.284  53.836  1.00  4.41           O  
-ATOM    702  CG2 THR A 224      -3.579 -37.551  53.807  1.00  4.79           C  
-ATOM    703  N   ASP A 225      -3.526 -37.624  50.693  1.00  4.13           N  
-ATOM    704  CA  ASP A 225      -4.287 -38.185  49.562  1.00  4.01           C  
-ATOM    705  C   ASP A 225      -3.592 -37.935  48.223  1.00  3.86           C  
-ATOM    706  O   ASP A 225      -3.693 -38.752  47.311  1.00  3.88           O  
-ATOM    707  CB  ASP A 225      -5.726 -37.644  49.518  1.00  3.99           C  
-ATOM    708  CG  ASP A 225      -6.648 -38.314  50.543  1.00  4.17           C  
-ATOM    709  OD1 ASP A 225      -6.295 -39.389  51.080  1.00  4.34           O  
-ATOM    710  OD2 ASP A 225      -7.735 -37.765  50.810  1.00  4.29           O  
-ATOM    711  N   ALA A 226      -2.896 -36.810  48.102  1.00  3.70           N  
-ATOM    712  CA  ALA A 226      -2.144 -36.511  46.883  1.00  3.66           C  
-ATOM    713  C   ALA A 226      -0.983 -37.494  46.704  1.00  3.67           C  
-ATOM    714  O   ALA A 226      -0.751 -37.994  45.604  1.00  3.65           O  
-ATOM    715  CB  ALA A 226      -1.634 -35.076  46.906  1.00  3.53           C  
-ATOM    716  N   GLN A 227      -0.271 -37.780  47.791  1.00  3.71           N  
-ATOM    717  CA  GLN A 227       0.876 -38.682  47.738  1.00  3.89           C  
-ATOM    718  C   GLN A 227       0.455 -40.111  47.384  1.00  3.92           C  
-ATOM    719  O   GLN A 227       1.107 -40.760  46.562  1.00  3.89           O  
-ATOM    720  CB  GLN A 227       1.685 -38.640  49.048  1.00  3.88           C  
-ATOM    721  CG  GLN A 227       2.508 -37.352  49.201  1.00  4.06           C  
-ATOM    722  CD  GLN A 227       3.267 -37.252  50.517  1.00  4.30           C  
-ATOM    723  OE1 GLN A 227       2.997 -37.986  51.468  1.00  4.49           O  
-ATOM    724  NE2 GLN A 227       4.226 -36.329  50.575  1.00  4.27           N  
-ATOM    725  N   ARG A 228      -0.637 -40.591  47.976  1.00  3.82           N  
-ATOM    726  CA  ARG A 228      -1.108 -41.957  47.689  1.00  3.85           C  
-ATOM    727  C   ARG A 228      -1.868 -42.070  46.362  1.00  3.82           C  
-ATOM    728  O   ARG A 228      -1.933 -43.154  45.774  1.00  3.80           O  
-ATOM    729  CB  ARG A 228      -1.922 -42.540  48.852  1.00  3.84           C  
-ATOM    730  CG  ARG A 228      -3.200 -41.811  49.198  1.00  4.06           C  
-ATOM    731  CD  ARG A 228      -3.732 -42.260  50.557  1.00  3.83           C  
-ATOM    732  NE  ARG A 228      -4.514 -43.486  50.430  1.00  3.63           N  
-ATOM    733  CZ  ARG A 228      -5.832 -43.536  50.248  1.00  3.39           C  
-ATOM    734  NH1 ARG A 228      -6.557 -42.425  50.182  1.00  3.33           N  
-ATOM    735  NH2 ARG A 228      -6.435 -44.716  50.133  1.00  3.49           N  
-ATOM    736  N   LEU A 229      -2.434 -40.960  45.892  1.00  3.82           N  
-ATOM    737  CA  LEU A 229      -2.971 -40.890  44.532  1.00  3.83           C  
-ATOM    738  C   LEU A 229      -1.823 -40.989  43.536  1.00  3.88           C  
-ATOM    739  O   LEU A 229      -1.887 -41.762  42.580  1.00  3.91           O  
-ATOM    740  CB  LEU A 229      -3.736 -39.584  44.307  1.00  3.85           C  
-ATOM    741  CG  LEU A 229      -4.247 -39.303  42.889  1.00  3.85           C  
-ATOM    742  CD1 LEU A 229      -5.228 -40.377  42.444  1.00  3.93           C  
-ATOM    743  CD2 LEU A 229      -4.885 -37.919  42.815  1.00  3.56           C  
-ATOM    744  N   CYS A 230      -0.777 -40.202  43.771  1.00  3.90           N  
-ATOM    745  CA  CYS A 230       0.422 -40.240  42.936  1.00  3.86           C  
-ATOM    746  C   CYS A 230       1.049 -41.628  42.918  1.00  3.80           C  
-ATOM    747  O   CYS A 230       1.456 -42.107  41.858  1.00  3.88           O  
-ATOM    748  CB  CYS A 230       1.449 -39.213  43.415  1.00  3.83           C  
-ATOM    749  SG  CYS A 230       1.012 -37.516  43.012  1.00  4.68           S  
-ATOM    750  N   ASN A 231       1.123 -42.267  44.087  1.00  3.72           N  
-ATOM    751  CA  ASN A 231       1.650 -43.634  44.197  1.00  3.58           C  
-ATOM    752  C   ASN A 231       0.919 -44.583  43.251  1.00  3.54           C  
-ATOM    753  O   ASN A 231       1.545 -45.337  42.505  1.00  3.60           O  
-ATOM    754  CB  ASN A 231       1.525 -44.171  45.634  1.00  3.52           C  
-ATOM    755  CG  ASN A 231       2.413 -43.435  46.634  1.00  3.35           C  
-ATOM    756  OD1 ASN A 231       3.356 -42.734  46.265  1.00  2.83           O  
-ATOM    757  ND2 ASN A 231       2.103 -43.597  47.914  1.00  3.14           N  
-ATOM    758  N   ALA A 232      -0.409 -44.523  43.284  1.00  3.48           N  
-ATOM    759  CA  ALA A 232      -1.257 -45.422  42.500  1.00  3.49           C  
-ATOM    760  C   ALA A 232      -1.090 -45.248  40.984  1.00  3.49           C  
-ATOM    761  O   ALA A 232      -1.141 -46.227  40.236  1.00  3.44           O  
-ATOM    762  CB  ALA A 232      -2.715 -45.237  42.895  1.00  3.42           C  
-ATOM    763  N   LEU A 233      -0.878 -44.009  40.545  1.00  3.50           N  
-ATOM    764  CA  LEU A 233      -0.774 -43.691  39.118  1.00  3.53           C  
-ATOM    765  C   LEU A 233       0.647 -43.819  38.566  1.00  3.59           C  
-ATOM    766  O   LEU A 233       0.868 -44.517  37.578  1.00  3.64           O  
-ATOM    767  CB  LEU A 233      -1.305 -42.282  38.849  1.00  3.44           C  
-ATOM    768  CG  LEU A 233      -2.829 -42.172  38.844  1.00  3.45           C  
-ATOM    769  CD1 LEU A 233      -3.275 -40.721  38.968  1.00  3.29           C  
-ATOM    770  CD2 LEU A 233      -3.407 -42.809  37.590  1.00  3.02           C  
-ATOM    771  N   LEU A 234       1.597 -43.134  39.196  1.00  3.70           N  
-ATOM    772  CA  LEU A 234       2.981 -43.088  38.705  1.00  3.70           C  
-ATOM    773  C   LEU A 234       3.786 -44.347  39.020  1.00  3.68           C  
-ATOM    774  O   LEU A 234       4.739 -44.658  38.308  1.00  3.71           O  
-ATOM    775  CB  LEU A 234       3.713 -41.859  39.261  1.00  3.79           C  
-ATOM    776  CG  LEU A 234       3.239 -40.507  38.716  1.00  4.04           C  
-ATOM    777  CD1 LEU A 234       3.732 -39.352  39.581  1.00  4.24           C  
-ATOM    778  CD2 LEU A 234       3.694 -40.331  37.275  1.00  4.09           C  
-ATOM    779  N   ARG A 235       3.416 -45.065  40.080  1.00  3.67           N  
-ATOM    780  CA  ARG A 235       4.132 -46.291  40.470  1.00  3.63           C  
-ATOM    781  C   ARG A 235       3.178 -47.435  40.849  1.00  3.61           C  
-ATOM    782  O   ARG A 235       3.131 -47.842  42.012  1.00  3.63           O  
-ATOM    783  CB  ARG A 235       5.085 -45.997  41.641  1.00  3.59           C  
-ATOM    784  CG  ARG A 235       6.177 -44.968  41.345  1.00  3.55           C  
-ATOM    785  CD  ARG A 235       6.843 -44.469  42.624  1.00  3.52           C  
-ATOM    786  NE  ARG A 235       5.938 -43.662  43.445  1.00  3.48           N  
-ATOM    787  CZ  ARG A 235       5.684 -42.363  43.267  1.00  3.60           C  
-ATOM    788  NH1 ARG A 235       6.261 -41.675  42.287  1.00  3.64           N  
-ATOM    789  NH2 ARG A 235       4.836 -41.740  44.082  1.00  3.69           N  
-ATOM    790  N   PRO A 236       2.417 -47.964  39.870  1.00  3.60           N  
-ATOM    791  CA  PRO A 236       1.512 -49.093  40.126  1.00  3.61           C  
-ATOM    792  C   PRO A 236       2.217 -50.340  40.657  1.00  3.59           C  
-ATOM    793  O   PRO A 236       3.294 -50.693  40.174  1.00  3.56           O  
-ATOM    794  CB  PRO A 236       0.912 -49.386  38.746  1.00  3.62           C  
-ATOM    795  CG  PRO A 236       1.055 -48.129  37.990  1.00  3.60           C  
-ATOM    796  CD  PRO A 236       2.315 -47.493  38.478  1.00  3.59           C  

Deleted: SwiftApps/modFTDock/input/3eq5-2.pdb
===================================================================
--- SwiftApps/modFTDock/input/3eq5-2.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/3eq5-2.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,782 +0,0 @@
-ATOM      1  N   SER B 141      -0.618  -6.096  17.841  1.00  4.90           N  
-ATOM      2  CA  SER B 141      -1.949  -6.742  18.049  1.00  4.89           C  
-ATOM      3  C   SER B 141      -2.088  -7.271  19.480  1.00  4.84           C  
-ATOM      4  O   SER B 141      -1.792  -8.440  19.761  1.00  4.79           O  
-ATOM      5  CB  SER B 141      -2.160  -7.870  17.040  1.00  4.90           C  
-ATOM      6  OG  SER B 141      -3.385  -8.540  17.288  1.00  5.38           O  
-ATOM      7  N   THR B 142      -2.557  -6.393  20.367  1.00  4.81           N  
-ATOM      8  CA  THR B 142      -2.664  -6.669  21.803  1.00  4.75           C  
-ATOM      9  C   THR B 142      -4.124  -6.682  22.268  1.00  4.72           C  
-ATOM     10  O   THR B 142      -4.402  -6.554  23.463  1.00  4.69           O  
-ATOM     11  CB  THR B 142      -1.899  -5.603  22.622  1.00  4.78           C  
-ATOM     12  OG1 THR B 142      -2.613  -4.358  22.581  1.00  5.05           O  
-ATOM     13  CG2 THR B 142      -0.487  -5.390  22.063  1.00  4.92           C  
-ATOM     14  N   GLU B 143      -5.047  -6.827  21.318  1.00  4.59           N  
-ATOM     15  CA  GLU B 143      -6.475  -6.891  21.613  1.00  4.53           C  
-ATOM     16  C   GLU B 143      -6.933  -8.341  21.720  1.00  4.41           C  
-ATOM     17  O   GLU B 143      -6.852  -9.103  20.755  1.00  4.37           O  
-ATOM     18  CB  GLU B 143      -7.275  -6.184  20.522  1.00  4.65           C  
-ATOM     19  CG  GLU B 143      -7.045  -4.677  20.463  1.00  5.10           C  
-ATOM     20  CD  GLU B 143      -7.833  -4.001  19.350  1.00  5.74           C  
-ATOM     21  OE1 GLU B 143      -8.644  -4.685  18.684  1.00  6.13           O  
-ATOM     22  OE2 GLU B 143      -7.643  -2.782  19.142  1.00  6.21           O  
-ATOM     23  N   LEU B 144      -7.425  -8.716  22.895  1.00  4.35           N  
-ATOM     24  CA  LEU B 144      -7.877 -10.081  23.129  1.00  4.23           C  
-ATOM     25  C   LEU B 144      -9.295 -10.255  22.614  1.00  4.28           C  
-ATOM     26  O   LEU B 144     -10.127  -9.354  22.728  1.00  4.41           O  
-ATOM     27  CB  LEU B 144      -7.819 -10.426  24.621  1.00  4.18           C  
-ATOM     28  CG  LEU B 144      -7.992 -11.902  24.992  1.00  4.03           C  
-ATOM     29  CD1 LEU B 144      -6.916 -12.769  24.341  1.00  3.54           C  
-ATOM     30  CD2 LEU B 144      -7.978 -12.063  26.505  1.00  4.00           C  
-ATOM     31  N   THR B 145      -9.556 -11.418  22.034  1.00  4.31           N  
-ATOM     32  CA  THR B 145     -10.900 -11.812  21.633  1.00  4.32           C  
-ATOM     33  C   THR B 145     -11.048 -13.293  21.947  1.00  4.34           C  
-ATOM     34  O   THR B 145     -10.158 -13.878  22.561  1.00  4.21           O  
-ATOM     35  CB  THR B 145     -11.142 -11.547  20.130  1.00  4.37           C  
-ATOM     36  OG1 THR B 145     -12.451 -12.002  19.770  1.00  4.64           O  
-ATOM     37  CG2 THR B 145     -10.105 -12.261  19.269  1.00  4.13           C  
-ATOM     38  N   GLN B 146     -12.166 -13.899  21.554  1.00  4.47           N  
-ATOM     39  CA  GLN B 146     -12.293 -15.357  21.654  1.00  4.65           C  
-ATOM     40  C   GLN B 146     -12.990 -16.000  20.464  1.00  4.57           C  
-ATOM     41  O   GLN B 146     -13.669 -15.335  19.684  1.00  4.66           O  
-ATOM     42  CB  GLN B 146     -12.934 -15.804  22.979  1.00  4.66           C  
-ATOM     43  CG  GLN B 146     -13.932 -14.857  23.616  1.00  5.28           C  
-ATOM     44  CD  GLN B 146     -14.196 -15.214  25.077  1.00  6.11           C  
-ATOM     45  OE1 GLN B 146     -13.273 -15.573  25.806  1.00  6.70           O  
-ATOM     46  NE2 GLN B 146     -15.453 -15.114  25.509  1.00  6.17           N  
-ATOM     47  N   THR B 147     -12.783 -17.308  20.342  1.00  4.50           N  
-ATOM     48  CA  THR B 147     -13.239 -18.086  19.200  1.00  4.46           C  
-ATOM     49  C   THR B 147     -13.568 -19.508  19.666  1.00  4.37           C  
-ATOM     50  O   THR B 147     -12.852 -20.074  20.496  1.00  4.36           O  
-ATOM     51  CB  THR B 147     -12.154 -18.110  18.074  1.00  4.51           C  
-ATOM     52  OG1 THR B 147     -12.757 -18.427  16.812  1.00  5.06           O  
-ATOM     53  CG2 THR B 147     -11.054 -19.111  18.375  1.00  4.16           C  
-ATOM     54  N   VAL B 148     -14.654 -20.072  19.139  1.00  4.23           N  
-ATOM     55  CA  VAL B 148     -15.107 -21.403  19.546  1.00  4.15           C  
-ATOM     56  C   VAL B 148     -14.142 -22.509  19.081  1.00  4.14           C  
-ATOM     57  O   VAL B 148     -13.571 -22.434  17.991  1.00  4.22           O  
-ATOM     58  CB  VAL B 148     -16.524 -21.690  19.006  1.00  4.16           C  
-ATOM     59  CG1 VAL B 148     -16.957 -23.106  19.349  1.00  4.33           C  
-ATOM     60  CG2 VAL B 148     -17.519 -20.679  19.568  1.00  4.06           C  
-ATOM     61  N   LEU B 149     -13.956 -23.518  19.929  1.00  4.00           N  
-ATOM     62  CA  LEU B 149     -13.144 -24.692  19.609  1.00  3.84           C  
-ATOM     63  C   LEU B 149     -13.653 -25.901  20.388  1.00  3.89           C  
-ATOM     64  O   LEU B 149     -13.563 -25.932  21.615  1.00  4.04           O  
-ATOM     65  CB  LEU B 149     -11.677 -24.443  19.963  1.00  3.94           C  
-ATOM     66  CG  LEU B 149     -10.720 -25.599  19.648  1.00  3.59           C  
-ATOM     67  CD1 LEU B 149     -10.621 -25.794  18.148  1.00  3.21           C  
-ATOM     68  CD2 LEU B 149      -9.353 -25.354  20.253  1.00  3.66           C  
-ATOM     69  N   GLU B 150     -14.185 -26.890  19.676  1.00  3.91           N  
-ATOM     70  CA  GLU B 150     -14.792 -28.075  20.300  1.00  4.00           C  
-ATOM     71  C   GLU B 150     -15.781 -27.700  21.413  1.00  3.99           C  
-ATOM     72  O   GLU B 150     -15.792 -28.321  22.477  1.00  3.93           O  
-ATOM     73  CB  GLU B 150     -13.708 -29.015  20.848  1.00  4.06           C  
-ATOM     74  CG  GLU B 150     -12.769 -29.590  19.790  1.00  4.20           C  
-ATOM     75  CD  GLU B 150     -13.434 -30.617  18.880  1.00  4.64           C  
-ATOM     76  OE1 GLU B 150     -14.237 -31.449  19.367  1.00  4.40           O  
-ATOM     77  OE2 GLU B 150     -13.138 -30.598  17.667  1.00  5.11           O  
-ATOM     78  N   GLY B 151     -16.598 -26.677  21.164  1.00  4.05           N  
-ATOM     79  CA  GLY B 151     -17.604 -26.220  22.131  1.00  4.10           C  
-ATOM     80  C   GLY B 151     -17.110 -25.144  23.088  1.00  4.21           C  
-ATOM     81  O   GLY B 151     -17.848 -24.217  23.421  1.00  4.24           O  
-ATOM     82  N   GLU B 152     -15.863 -25.266  23.533  1.00  4.26           N  
-ATOM     83  CA  GLU B 152     -15.271 -24.301  24.454  1.00  4.36           C  
-ATOM     84  C   GLU B 152     -14.913 -22.998  23.736  1.00  4.27           C  
-ATOM     85  O   GLU B 152     -14.598 -23.002  22.548  1.00  4.22           O  
-ATOM     86  CB  GLU B 152     -14.028 -24.899  25.125  1.00  4.44           C  
-ATOM     87  CG  GLU B 152     -14.322 -26.144  25.974  1.00  5.06           C  
-ATOM     88  CD  GLU B 152     -13.067 -26.751  26.597  1.00  6.27           C  
-ATOM     89  OE1 GLU B 152     -12.118 -25.990  26.904  1.00  7.15           O  
-ATOM     90  OE2 GLU B 152     -13.030 -27.988  26.787  1.00  6.54           O  
-ATOM     91  N   SER B 153     -14.986 -21.890  24.469  1.00  4.29           N  
-ATOM     92  CA  SER B 153     -14.634 -20.571  23.949  1.00  4.31           C  
-ATOM     93  C   SER B 153     -13.211 -20.230  24.365  1.00  4.41           C  
-ATOM     94  O   SER B 153     -12.943 -19.971  25.544  1.00  4.62           O  
-ATOM     95  CB  SER B 153     -15.599 -19.517  24.490  1.00  4.39           C  
-ATOM     96  OG  SER B 153     -15.272 -18.232  23.997  1.00  4.75           O  
-ATOM     97  N   ILE B 154     -12.298 -20.244  23.399  1.00  4.40           N  
-ATOM     98  CA  ILE B 154     -10.884 -20.050  23.675  1.00  4.37           C  
-ATOM     99  C   ILE B 154     -10.479 -18.612  23.396  1.00  4.33           C  
-ATOM    100  O   ILE B 154     -10.768 -18.070  22.331  1.00  4.31           O  
-ATOM    101  CB  ILE B 154     -10.012 -21.005  22.827  1.00  4.59           C  
-ATOM    102  CG1 ILE B 154     -10.442 -22.459  23.053  1.00  4.82           C  
-ATOM    103  CG2 ILE B 154      -8.534 -20.831  23.161  1.00  4.20           C  
-ATOM    104  CD1 ILE B 154     -10.532 -22.863  24.519  1.00  4.96           C  
-ATOM    105  N   SER B 155      -9.809 -18.001  24.369  1.00  4.27           N  
-ATOM    106  CA  SER B 155      -9.278 -16.652  24.209  1.00  4.23           C  
-ATOM    107  C   SER B 155      -8.161 -16.661  23.173  1.00  4.11           C  
-ATOM    108  O   SER B 155      -7.377 -17.608  23.114  1.00  4.03           O  
-ATOM    109  CB  SER B 155      -8.771 -16.106  25.546  1.00  4.27           C  
-ATOM    110  OG  SER B 155      -9.857 -15.680  26.347  1.00  4.23           O  
-ATOM    111  N   CYS B 156      -8.108 -15.617  22.346  1.00  4.05           N  
-ATOM    112  CA  CYS B 156      -7.166 -15.580  21.225  1.00  4.04           C  
-ATOM    113  C   CYS B 156      -6.851 -14.166  20.749  1.00  3.80           C  
-ATOM    114  O   CYS B 156      -7.606 -13.231  21.009  1.00  3.42           O  
-ATOM    115  CB  CYS B 156      -7.726 -16.380  20.050  1.00  4.05           C  
-ATOM    116  SG  CYS B 156      -9.162 -15.603  19.274  1.00  4.96           S  
-ATOM    117  N   PHE B 157      -5.733 -14.041  20.029  1.00  3.70           N  
-ATOM    118  CA  PHE B 157      -5.303 -12.773  19.443  1.00  3.49           C  
-ATOM    119  C   PHE B 157      -5.470 -12.764  17.926  1.00  3.62           C  
-ATOM    120  O   PHE B 157      -5.043 -13.696  17.247  1.00  3.66           O  
-ATOM    121  CB  PHE B 157      -3.839 -12.512  19.780  1.00  3.38           C  
-ATOM    122  CG  PHE B 157      -3.593 -12.240  21.225  1.00  2.79           C  
-ATOM    123  CD1 PHE B 157      -3.063 -13.218  22.051  1.00  2.58           C  
-ATOM    124  CD2 PHE B 157      -3.893 -11.005  21.761  1.00  2.85           C  
-ATOM    125  CE1 PHE B 157      -2.832 -12.965  23.389  1.00  2.29           C  
-ATOM    126  CE2 PHE B 157      -3.672 -10.745  23.100  1.00  3.07           C  
-ATOM    127  CZ  PHE B 157      -3.136 -11.727  23.916  1.00  2.68           C  
-ATOM    128  N   GLN B 158      -6.085 -11.703  17.402  1.00  3.71           N  
-ATOM    129  CA  GLN B 158      -6.211 -11.509  15.959  1.00  3.61           C  
-ATOM    130  C   GLN B 158      -4.936 -10.863  15.434  1.00  3.69           C  
-ATOM    131  O   GLN B 158      -4.779  -9.645  15.482  1.00  3.74           O  
-ATOM    132  CB  GLN B 158      -7.424 -10.633  15.630  1.00  3.60           C  
-ATOM    133  CG  GLN B 158      -7.770 -10.542  14.139  1.00  3.45           C  
-ATOM    134  CD  GLN B 158      -8.363 -11.830  13.585  1.00  3.35           C  
-ATOM    135  OE1 GLN B 158      -9.317 -12.375  14.134  1.00  3.77           O  
-ATOM    136  NE2 GLN B 158      -7.803 -12.314  12.488  1.00  3.37           N  
-ATOM    137  N   VAL B 159      -4.025 -11.695  14.942  1.00  3.75           N  
-ATOM    138  CA  VAL B 159      -2.767 -11.231  14.375  1.00  3.74           C  
-ATOM    139  C   VAL B 159      -2.884 -11.305  12.861  1.00  3.88           C  
-ATOM    140  O   VAL B 159      -2.679 -12.364  12.262  1.00  4.03           O  
-ATOM    141  CB  VAL B 159      -1.576 -12.083  14.859  1.00  3.68           C  
-ATOM    142  CG1 VAL B 159      -0.265 -11.538  14.288  1.00  3.79           C  
-ATOM    143  CG2 VAL B 159      -1.532 -12.115  16.380  1.00  3.39           C  
-ATOM    144  N   GLY B 160      -3.229 -10.175  12.249  1.00  3.89           N  
-ATOM    145  CA  GLY B 160      -3.485 -10.127  10.815  1.00  3.84           C  
-ATOM    146  C   GLY B 160      -4.698 -10.974  10.482  1.00  3.84           C  
-ATOM    147  O   GLY B 160      -5.751 -10.824  11.102  1.00  3.91           O  
-ATOM    148  N   GLY B 161      -4.538 -11.891   9.532  1.00  3.77           N  
-ATOM    149  CA  GLY B 161      -5.631 -12.765   9.102  1.00  3.70           C  
-ATOM    150  C   GLY B 161      -5.744 -14.060   9.888  1.00  3.64           C  
-ATOM    151  O   GLY B 161      -6.579 -14.904   9.566  1.00  3.57           O  
-ATOM    152  N   GLU B 162      -4.907 -14.221  10.913  1.00  3.65           N  
-ATOM    153  CA  GLU B 162      -4.883 -15.439  11.725  1.00  3.75           C  
-ATOM    154  C   GLU B 162      -5.334 -15.181  13.149  1.00  3.61           C  
-ATOM    155  O   GLU B 162      -5.035 -14.134  13.718  1.00  3.48           O  
-ATOM    156  CB  GLU B 162      -3.465 -16.012  11.808  1.00  3.75           C  
-ATOM    157  CG  GLU B 162      -3.063 -16.906  10.659  1.00  4.25           C  
-ATOM    158  CD  GLU B 162      -1.700 -17.546  10.874  1.00  4.53           C  
-ATOM    159  OE1 GLU B 162      -1.220 -17.586  12.032  1.00  4.09           O  
-ATOM    160  OE2 GLU B 162      -1.105 -18.002   9.877  1.00  5.36           O  
-ATOM    161  N   LYS B 163      -6.029 -16.165  13.714  1.00  3.61           N  
-ATOM    162  CA ALYS B 163      -6.376 -16.177  15.131  0.50  3.71           C  
-ATOM    163  CA BLYS B 163      -6.360 -16.164  15.133  0.50  3.68           C  
-ATOM    164  C   LYS B 163      -5.409 -17.108  15.865  1.00  3.75           C  
-ATOM    165  O   LYS B 163      -5.306 -18.287  15.524  1.00  3.72           O  
-ATOM    166  CB ALYS B 163      -7.809 -16.677  15.325  0.50  3.72           C  
-ATOM    167  CB BLYS B 163      -7.814 -16.582  15.355  0.50  3.66           C  
-ATOM    168  CG ALYS B 163      -8.871 -15.879  14.581  0.50  3.84           C  
-ATOM    169  CG BLYS B 163      -8.822 -15.514  14.958  0.50  3.67           C  
-ATOM    170  CD ALYS B 163     -10.200 -16.625  14.559  0.50  4.05           C  
-ATOM    171  CD BLYS B 163     -10.222 -15.840  15.464  0.50  3.58           C  
-ATOM    172  CE ALYS B 163     -11.319 -15.781  13.965  0.50  4.27           C  
-ATOM    173  CE BLYS B 163     -11.178 -14.686  15.223  0.50  3.45           C  
-ATOM    174  NZ ALYS B 163     -12.602 -16.538  13.864  0.50  4.21           N  
-ATOM    175  NZ BLYS B 163     -11.151 -14.232  13.805  0.50  3.46           N  
-ATOM    176  N   ARG B 164      -4.700 -16.577  16.862  1.00  3.86           N  
-ATOM    177  CA  ARG B 164      -3.763 -17.367  17.666  1.00  3.89           C  
-ATOM    178  C   ARG B 164      -4.347 -17.647  19.058  1.00  3.85           C  
-ATOM    179  O   ARG B 164      -4.446 -16.745  19.884  1.00  3.71           O  
-ATOM    180  CB  ARG B 164      -2.432 -16.636  17.802  1.00  3.94           C  
-ATOM    181  CG  ARG B 164      -1.741 -16.314  16.485  1.00  4.14           C  
-ATOM    182  CD  ARG B 164      -0.316 -15.853  16.741  1.00  4.56           C  
-ATOM    183  NE  ARG B 164       0.223 -15.058  15.635  1.00  5.27           N  
-ATOM    184  CZ  ARG B 164       0.776 -15.549  14.528  1.00  5.01           C  
-ATOM    185  NH1 ARG B 164       1.221 -14.714  13.600  1.00  5.11           N  
-ATOM    186  NH2 ARG B 164       0.884 -16.862  14.335  1.00  5.33           N  
-ATOM    187  N   LEU B 165      -4.710 -18.906  19.300  1.00  3.87           N  
-ATOM    188  CA  LEU B 165      -5.423 -19.318  20.509  1.00  4.11           C  
-ATOM    189  C   LEU B 165      -4.506 -19.524  21.710  1.00  4.12           C  
-ATOM    190  O   LEU B 165      -3.367 -19.946  21.560  1.00  4.47           O  
-ATOM    191  CB  LEU B 165      -6.206 -20.616  20.251  1.00  4.27           C  
-ATOM    192  CG  LEU B 165      -7.534 -20.505  19.492  1.00  4.07           C  
-ATOM    193  CD1 LEU B 165      -7.359 -19.839  18.135  1.00  4.39           C  
-ATOM    194  CD2 LEU B 165      -8.140 -21.882  19.333  1.00  3.87           C  
-ATOM    195  N   CYS B 166      -5.030 -19.231  22.897  1.00  4.06           N  
-ATOM    196  CA  CYS B 166      -4.337 -19.453  24.168  1.00  4.28           C  
-ATOM    197  C   CYS B 166      -4.082 -20.948  24.392  1.00  4.27           C  
-ATOM    198  O   CYS B 166      -5.021 -21.716  24.635  1.00  4.58           O  
-ATOM    199  CB  CYS B 166      -5.190 -18.897  25.315  1.00  4.29           C  
-ATOM    200  SG  CYS B 166      -4.520 -19.134  26.985  1.00  5.51           S  
-ATOM    201  N   LEU B 167      -2.816 -21.351  24.328  1.00  4.15           N  
-ATOM    202  CA  LEU B 167      -2.450 -22.778  24.314  1.00  4.11           C  
-ATOM    203  C   LEU B 167      -2.852 -23.546  25.582  1.00  4.08           C  
-ATOM    204  O   LEU B 167      -3.405 -24.646  25.485  1.00  4.21           O  
-ATOM    205  CB  LEU B 167      -0.948 -22.948  24.045  1.00  4.02           C  
-ATOM    206  CG  LEU B 167      -0.408 -24.370  23.873  1.00  4.00           C  
-ATOM    207  CD1 LEU B 167      -1.094 -25.087  22.721  1.00  4.00           C  
-ATOM    208  CD2 LEU B 167       1.108 -24.330  23.662  1.00  3.56           C  
-ATOM    209  N   PRO B 168      -2.585 -22.980  26.772  1.00  3.89           N  
-ATOM    210  CA  PRO B 168      -2.967 -23.715  27.972  1.00  3.84           C  
-ATOM    211  C   PRO B 168      -4.463 -24.024  28.044  1.00  3.86           C  
-ATOM    212  O   PRO B 168      -4.838 -25.052  28.603  1.00  4.06           O  
-ATOM    213  CB  PRO B 168      -2.551 -22.780  29.113  1.00  3.75           C  
-ATOM    214  CG  PRO B 168      -1.560 -21.869  28.532  1.00  3.66           C  
-ATOM    215  CD  PRO B 168      -1.941 -21.699  27.102  1.00  3.89           C  
-ATOM    216  N   GLN B 169      -5.306 -23.155  27.490  1.00  3.88           N  
-ATOM    217  CA  GLN B 169      -6.755 -23.425  27.455  1.00  3.94           C  
-ATOM    218  C   GLN B 169      -7.059 -24.612  26.543  1.00  4.01           C  
-ATOM    219  O   GLN B 169      -7.945 -25.413  26.832  1.00  4.18           O  
-ATOM    220  CB  GLN B 169      -7.556 -22.201  26.988  1.00  3.93           C  
-ATOM    221  CG  GLN B 169      -7.640 -21.067  27.997  1.00  3.91           C  
-ATOM    222  CD  GLN B 169      -8.674 -20.011  27.616  1.00  4.23           C  
-ATOM    223  OE1 GLN B 169      -8.622 -19.437  26.527  1.00  4.09           O  
-ATOM    224  NE2 GLN B 169      -9.617 -19.745  28.524  1.00  3.46           N  
-ATOM    225  N   VAL B 170      -6.319 -24.715  25.442  1.00  4.01           N  
-ATOM    226  CA  VAL B 170      -6.495 -25.811  24.493  1.00  3.88           C  
-ATOM    227  C   VAL B 170      -6.015 -27.130  25.092  1.00  4.00           C  
-ATOM    228  O   VAL B 170      -6.739 -28.126  25.065  1.00  4.16           O  
-ATOM    229  CB  VAL B 170      -5.725 -25.552  23.169  1.00  3.82           C  
-ATOM    230  CG1 VAL B 170      -5.850 -26.744  22.241  1.00  3.74           C  
-ATOM    231  CG2 VAL B 170      -6.231 -24.288  22.480  1.00  3.16           C  
-ATOM    232  N   LEU B 171      -4.800 -27.127  25.636  1.00  3.95           N  
-ATOM    233  CA  LEU B 171      -4.178 -28.350  26.140  1.00  3.99           C  
-ATOM    234  C   LEU B 171      -4.856 -28.869  27.402  1.00  4.06           C  
-ATOM    235  O   LEU B 171      -5.192 -30.052  27.498  1.00  4.13           O  
-ATOM    236  CB  LEU B 171      -2.692 -28.117  26.444  1.00  4.01           C  
-ATOM    237  CG  LEU B 171      -1.752 -27.761  25.286  1.00  4.18           C  
-ATOM    238  CD1 LEU B 171      -0.320 -27.630  25.806  1.00  3.84           C  
-ATOM    239  CD2 LEU B 171      -1.823 -28.792  24.171  1.00  3.90           C  
-ATOM    240  N   ASN B 172      -5.049 -27.984  28.373  1.00  4.06           N  
-ATOM    241  CA  ASN B 172      -5.486 -28.402  29.700  1.00  4.14           C  
-ATOM    242  C   ASN B 172      -7.005 -28.468  29.898  1.00  4.11           C  
-ATOM    243  O   ASN B 172      -7.462 -28.705  31.016  1.00  4.22           O  
-ATOM    244  CB  ASN B 172      -4.834 -27.515  30.771  1.00  4.21           C  
-ATOM    245  CG  ASN B 172      -3.310 -27.665  30.816  1.00  4.59           C  
-ATOM    246  OD1 ASN B 172      -2.738 -28.606  30.251  1.00  4.84           O  
-ATOM    247  ND2 ASN B 172      -2.649 -26.734  31.499  1.00  4.53           N  
-ATOM    248  N   SER B 173      -7.787 -28.284  28.834  1.00  4.03           N  
-ATOM    249  CA  SER B 173      -9.236 -28.529  28.915  1.00  4.00           C  
-ATOM    250  C   SER B 173      -9.810 -29.200  27.659  1.00  3.89           C  
-ATOM    251  O   SER B 173     -10.397 -30.281  27.752  1.00  4.06           O  
-ATOM    252  CB  SER B 173     -10.003 -27.245  29.258  1.00  3.94           C  
-ATOM    253  OG  SER B 173      -9.999 -26.331  28.186  1.00  4.31           O  
-ATOM    254  N   VAL B 174      -9.640 -28.582  26.494  1.00  3.64           N  
-ATOM    255  CA  VAL B 174     -10.183 -29.155  25.258  1.00  3.48           C  
-ATOM    256  C   VAL B 174      -9.556 -30.516  24.953  1.00  3.52           C  
-ATOM    257  O   VAL B 174     -10.255 -31.446  24.545  1.00  3.54           O  
-ATOM    258  CB  VAL B 174      -9.978 -28.227  24.038  1.00  3.47           C  
-ATOM    259  CG1 VAL B 174     -10.486 -28.897  22.766  1.00  3.29           C  
-ATOM    260  CG2 VAL B 174     -10.672 -26.894  24.252  1.00  3.24           C  
-ATOM    261  N   LEU B 175      -8.241 -30.622  25.150  1.00  3.48           N  
-ATOM    262  CA  LEU B 175      -7.504 -31.863  24.894  1.00  3.46           C  
-ATOM    263  C   LEU B 175      -6.928 -32.464  26.181  1.00  3.43           C  
-ATOM    264  O   LEU B 175      -5.856 -33.068  26.170  1.00  3.32           O  
-ATOM    265  CB  LEU B 175      -6.379 -31.605  23.889  1.00  3.52           C  
-ATOM    266  CG  LEU B 175      -6.793 -30.931  22.579  1.00  3.54           C  
-ATOM    267  CD1 LEU B 175      -5.571 -30.608  21.745  1.00  3.39           C  
-ATOM    268  CD2 LEU B 175      -7.760 -31.811  21.802  1.00  3.58           C  
-ATOM    269  N   ARG B 176      -7.656 -32.313  27.284  1.00  3.45           N  
-ATOM    270  CA  ARG B 176      -7.204 -32.815  28.583  1.00  3.49           C  
-ATOM    271  C   ARG B 176      -7.262 -34.344  28.672  1.00  3.55           C  
-ATOM    272  O   ARG B 176      -6.522 -34.946  29.448  1.00  3.60           O  
-ATOM    273  CB  ARG B 176      -8.029 -32.183  29.713  1.00  3.55           C  
-ATOM    274  CG  ARG B 176      -7.594 -32.549  31.136  1.00  3.25           C  
-ATOM    275  CD  ARG B 176      -6.195 -32.042  31.465  1.00  3.08           C  
-ATOM    276  NE  ARG B 176      -5.702 -32.578  32.732  1.00  2.91           N  
-ATOM    277  CZ  ARG B 176      -5.264 -33.824  32.915  1.00  2.60           C  
-ATOM    278  NH1 ARG B 176      -5.254 -34.701  31.917  1.00  2.43           N  
-ATOM    279  NH2 ARG B 176      -4.840 -34.202  34.113  1.00  2.65           N  
-ATOM    280  N   GLU B 177      -8.130 -34.967  27.876  1.00  3.65           N  
-ATOM    281  CA  GLU B 177      -8.240 -36.430  27.846  1.00  3.72           C  
-ATOM    282  C   GLU B 177      -7.092 -37.100  27.073  1.00  3.71           C  
-ATOM    283  O   GLU B 177      -7.068 -38.324  26.941  1.00  3.82           O  
-ATOM    284  CB  GLU B 177      -9.589 -36.856  27.254  1.00  3.75           C  
-ATOM    285  CG  GLU B 177      -9.652 -36.811  25.727  1.00  4.24           C  
-ATOM    286  CD  GLU B 177     -11.066 -36.956  25.182  1.00  4.50           C  
-ATOM    287  OE1 GLU B 177     -11.400 -38.054  24.678  1.00  4.66           O  
-ATOM    288  OE2 GLU B 177     -11.837 -35.972  25.259  1.00  4.45           O  
-ATOM    289  N   PHE B 178      -6.160 -36.305  26.551  1.00  3.68           N  
-ATOM    290  CA  PHE B 178      -4.979 -36.829  25.867  1.00  3.64           C  
-ATOM    291  C   PHE B 178      -3.712 -36.335  26.560  1.00  3.60           C  
-ATOM    292  O   PHE B 178      -3.634 -35.175  26.962  1.00  3.68           O  
-ATOM    293  CB  PHE B 178      -4.980 -36.396  24.402  1.00  3.63           C  
-ATOM    294  CG  PHE B 178      -6.261 -36.712  23.682  1.00  3.68           C  
-ATOM    295  CD1 PHE B 178      -6.525 -38.000  23.239  1.00  3.59           C  
-ATOM    296  CD2 PHE B 178      -7.209 -35.721  23.453  1.00  3.66           C  
-ATOM    297  CE1 PHE B 178      -7.710 -38.295  22.576  1.00  3.59           C  
-ATOM    298  CE2 PHE B 178      -8.391 -36.008  22.789  1.00  3.49           C  
-ATOM    299  CZ  PHE B 178      -8.644 -37.296  22.353  1.00  3.48           C  
-ATOM    300  N   THR B 179      -2.728 -37.222  26.694  1.00  3.52           N  
-ATOM    301  CA  THR B 179      -1.480 -36.903  27.389  1.00  3.49           C  
-ATOM    302  C   THR B 179      -0.640 -35.917  26.581  1.00  3.54           C  
-ATOM    303  O   THR B 179      -0.787 -35.827  25.362  1.00  3.47           O  
-ATOM    304  CB  THR B 179      -0.633 -38.176  27.672  1.00  3.56           C  
-ATOM    305  OG1 THR B 179      -0.102 -38.699  26.446  1.00  3.60           O  
-ATOM    306  CG2 THR B 179      -1.464 -39.254  28.368  1.00  3.30           C  
-ATOM    307  N   LEU B 180       0.236 -35.180  27.264  1.00  3.59           N  
-ATOM    308  CA  LEU B 180       1.154 -34.253  26.590  1.00  3.65           C  
-ATOM    309  C   LEU B 180       2.032 -34.964  25.557  1.00  3.65           C  
-ATOM    310  O   LEU B 180       2.313 -34.404  24.500  1.00  3.69           O  
-ATOM    311  CB  LEU B 180       2.043 -33.505  27.593  1.00  3.55           C  
-ATOM    312  CG  LEU B 180       1.421 -32.317  28.333  1.00  3.88           C  
-ATOM    313  CD1 LEU B 180       2.453 -31.685  29.262  1.00  3.75           C  
-ATOM    314  CD2 LEU B 180       0.855 -31.274  27.369  1.00  3.42           C  
-ATOM    315  N   GLN B 181       2.459 -36.187  25.863  1.00  3.71           N  
-ATOM    316  CA  GLN B 181       3.273 -36.980  24.933  1.00  3.79           C  
-ATOM    317  C   GLN B 181       2.537 -37.206  23.614  1.00  3.73           C  
-ATOM    318  O   GLN B 181       3.101 -36.984  22.543  1.00  3.72           O  
-ATOM    319  CB  GLN B 181       3.667 -38.328  25.557  1.00  3.81           C  
-ATOM    320  CG  GLN B 181       4.448 -39.257  24.624  1.00  4.09           C  
-ATOM    321  CD  GLN B 181       4.985 -40.500  25.329  1.00  4.62           C  
-ATOM    322  OE1 GLN B 181       5.673 -40.406  26.351  1.00  4.78           O  
-ATOM    323  NE2 GLN B 181       4.682 -41.673  24.775  1.00  4.73           N  
-ATOM    324  N   GLN B 182       1.276 -37.631  23.703  1.00  3.70           N  
-ATOM    325  CA AGLN B 182       0.450 -37.911  22.528  0.50  3.73           C  
-ATOM    326  CA BGLN B 182       0.489 -37.910  22.500  0.50  3.69           C  
-ATOM    327  C   GLN B 182      -0.030 -36.628  21.838  1.00  3.74           C  
-ATOM    328  O   GLN B 182      -0.472 -36.661  20.691  1.00  3.85           O  
-ATOM    329  CB AGLN B 182      -0.748 -38.778  22.927  0.50  3.72           C  
-ATOM    330  CB BGLN B 182      -0.650 -38.903  22.782  0.50  3.64           C  
-ATOM    331  CG AGLN B 182      -1.466 -39.434  21.756  0.50  3.85           C  
-ATOM    332  CG BGLN B 182      -1.762 -38.400  23.680  0.50  3.59           C  
-ATOM    333  CD AGLN B 182      -2.556 -40.386  22.201  0.50  4.06           C  
-ATOM    334  CD BGLN B 182      -2.833 -39.450  23.919  0.50  3.37           C  
-ATOM    335  OE1AGLN B 182      -2.608 -40.792  23.364  0.50  4.11           O  
-ATOM    336  OE1BGLN B 182      -3.061 -39.874  25.051  0.50  2.81           O  
-ATOM    337  NE2AGLN B 182      -3.439 -40.747  21.275  0.50  4.06           N  
-ATOM    338  NE2BGLN B 182      -3.492 -39.878  22.848  0.50  3.46           N  
-ATOM    339  N   ILE B 183       0.036 -35.501  22.547  1.00  3.77           N  
-ATOM    340  CA  ILE B 183      -0.262 -34.195  21.946  1.00  3.77           C  
-ATOM    341  C   ILE B 183       0.915 -33.745  21.076  1.00  3.74           C  
-ATOM    342  O   ILE B 183       0.725 -33.263  19.958  1.00  3.83           O  
-ATOM    343  CB  ILE B 183      -0.532 -33.104  23.010  1.00  3.87           C  
-ATOM    344  CG1 ILE B 183      -1.898 -33.310  23.672  1.00  4.07           C  
-ATOM    345  CG2 ILE B 183      -0.470 -31.712  22.381  1.00  3.80           C  
-ATOM    346  CD1 ILE B 183      -3.066 -32.900  22.805  1.00  4.44           C  
-ATOM    347  N   ASN B 184       2.128 -33.900  21.601  1.00  3.60           N  
-ATOM    348  CA  ASN B 184       3.341 -33.510  20.882  1.00  3.55           C  
-ATOM    349  C   ASN B 184       3.652 -34.438  19.707  1.00  3.53           C  
-ATOM    350  O   ASN B 184       4.194 -33.998  18.693  1.00  3.42           O  
-ATOM    351  CB  ASN B 184       4.542 -33.452  21.837  1.00  3.50           C  
-ATOM    352  CG  ASN B 184       4.472 -32.277  22.806  1.00  3.40           C  
-ATOM    353  OD1 ASN B 184       3.908 -31.227  22.497  1.00  3.39           O  
-ATOM    354  ND2 ASN B 184       5.060 -32.450  23.982  1.00  3.29           N  
-ATOM    355  N   THR B 185       3.312 -35.718  19.847  1.00  3.52           N  
-ATOM    356  CA  THR B 185       3.515 -36.687  18.771  1.00  3.48           C  
-ATOM    357  C   THR B 185       2.682 -36.315  17.545  1.00  3.46           C  
-ATOM    358  O   THR B 185       3.176 -36.356  16.420  1.00  3.47           O  
-ATOM    359  CB  THR B 185       3.159 -38.123  19.216  1.00  3.52           C  
-ATOM    360  OG1 THR B 185       3.979 -38.505  20.327  1.00  3.49           O  
-ATOM    361  CG2 THR B 185       3.373 -39.111  18.074  1.00  3.49           C  
-ATOM    362  N   VAL B 186       1.423 -35.949  17.775  1.00  3.42           N  
-ATOM    363  CA  VAL B 186       0.533 -35.501  16.702  1.00  3.40           C  
-ATOM    364  C   VAL B 186       1.014 -34.182  16.085  1.00  3.46           C  
-ATOM    365  O   VAL B 186       0.920 -33.993  14.873  1.00  3.44           O  
-ATOM    366  CB  VAL B 186      -0.923 -35.349  17.207  1.00  3.33           C  
-ATOM    367  CG1 VAL B 186      -1.788 -34.651  16.173  1.00  3.20           C  
-ATOM    368  CG2 VAL B 186      -1.504 -36.710  17.550  1.00  3.06           C  
-ATOM    369  N   CYS B 187       1.537 -33.286  16.920  1.00  3.54           N  
-ATOM    370  CA  CYS B 187       2.041 -31.985  16.460  1.00  3.55           C  
-ATOM    371  C   CYS B 187       3.246 -32.114  15.535  1.00  3.63           C  
-ATOM    372  O   CYS B 187       3.282 -31.503  14.469  1.00  3.64           O  
-ATOM    373  CB  CYS B 187       2.410 -31.094  17.648  1.00  3.57           C  
-ATOM    374  SG  CYS B 187       1.005 -30.276  18.415  1.00  3.22           S  
-ATOM    375  N   ASP B 188       4.230 -32.903  15.956  1.00  3.76           N  
-ATOM    376  CA  ASP B 188       5.422 -33.166  15.145  1.00  3.81           C  
-ATOM    377  C   ASP B 188       5.062 -33.887  13.849  1.00  3.78           C  
-ATOM    378  O   ASP B 188       5.675 -33.652  12.807  1.00  3.78           O  
-ATOM    379  CB  ASP B 188       6.437 -34.002  15.933  1.00  3.87           C  
-ATOM    380  CG  ASP B 188       7.029 -33.248  17.111  1.00  4.22           C  
-ATOM    381  OD1 ASP B 188       8.147 -33.603  17.542  1.00  4.89           O  
-ATOM    382  OD2 ASP B 188       6.381 -32.298  17.605  1.00  4.56           O  
-ATOM    383  N   GLU B 189       4.061 -34.760  13.932  1.00  3.75           N  
-ATOM    384  CA  GLU B 189       3.588 -35.538  12.787  1.00  3.76           C  
-ATOM    385  C   GLU B 189       2.808 -34.675  11.792  1.00  3.66           C  
-ATOM    386  O   GLU B 189       2.996 -34.796  10.579  1.00  3.50           O  
-ATOM    387  CB  GLU B 189       2.723 -36.697  13.284  1.00  3.83           C  
-ATOM    388  CG  GLU B 189       2.254 -37.653  12.202  1.00  4.29           C  
-ATOM    389  CD  GLU B 189       1.779 -38.988  12.761  1.00  4.90           C  
-ATOM    390  OE1 GLU B 189       1.467 -39.062  13.975  1.00  4.39           O  
-ATOM    391  OE2 GLU B 189       1.723 -39.964  11.973  1.00  5.41           O  
-ATOM    392  N   LEU B 190       1.936 -33.810  12.311  1.00  3.54           N  
-ATOM    393  CA  LEU B 190       1.180 -32.869  11.479  1.00  3.50           C  
-ATOM    394  C   LEU B 190       1.952 -31.574  11.209  1.00  3.46           C  
-ATOM    395  O   LEU B 190       1.449 -30.688  10.519  1.00  3.42           O  
-ATOM    396  CB  LEU B 190      -0.155 -32.523  12.144  1.00  3.50           C  
-ATOM    397  CG  LEU B 190      -1.141 -33.667  12.381  1.00  3.46           C  
-ATOM    398  CD1 LEU B 190      -2.294 -33.174  13.245  1.00  3.39           C  
-ATOM    399  CD2 LEU B 190      -1.652 -34.246  11.070  1.00  3.14           C  
-ATOM    400  N   TYR B 191       3.161 -31.467  11.759  1.00  3.46           N  
-ATOM    401  CA  TYR B 191       4.007 -30.276  11.605  1.00  3.51           C  
-ATOM    402  C   TYR B 191       3.326 -29.004  12.134  1.00  3.52           C  
-ATOM    403  O   TYR B 191       3.370 -27.950  11.496  1.00  3.50           O  
-ATOM    404  CB  TYR B 191       4.455 -30.109  10.143  1.00  3.52           C  
-ATOM    405  CG  TYR B 191       5.285 -31.270   9.631  1.00  3.60           C  
-ATOM    406  CD1 TYR B 191       6.659 -31.320   9.853  1.00  3.68           C  
-ATOM    407  CD2 TYR B 191       4.697 -32.317   8.923  1.00  3.64           C  
-ATOM    408  CE1 TYR B 191       7.428 -32.383   9.389  1.00  3.58           C  
-ATOM    409  CE2 TYR B 191       5.460 -33.388   8.453  1.00  3.45           C  
-ATOM    410  CZ  TYR B 191       6.824 -33.412   8.692  1.00  3.53           C  
-ATOM    411  OH  TYR B 191       7.589 -34.462   8.234  1.00  3.57           O  
-ATOM    412  N   ILE B 192       2.699 -29.125  13.305  1.00  3.54           N  
-ATOM    413  CA  ILE B 192       2.103 -27.994  14.015  1.00  3.53           C  
-ATOM    414  C   ILE B 192       3.130 -27.397  14.971  1.00  3.61           C  
-ATOM    415  O   ILE B 192       3.657 -28.111  15.827  1.00  3.62           O  
-ATOM    416  CB  ILE B 192       0.877 -28.433  14.845  1.00  3.57           C  
-ATOM    417  CG1 ILE B 192      -0.254 -28.899  13.931  1.00  3.53           C  
-ATOM    418  CG2 ILE B 192       0.385 -27.295  15.739  1.00  3.31           C  
-ATOM    419  CD1 ILE B 192      -1.372 -29.598  14.670  1.00  3.25           C  
-ATOM    420  N   TYR B 193       3.400 -26.097  14.822  1.00  3.65           N  
-ATOM    421  CA ATYR B 193       4.361 -25.377  15.673  0.50  3.71           C  
-ATOM    422  CA BTYR B 193       4.350 -25.396  15.680  0.50  3.68           C  
-ATOM    423  C   TYR B 193       3.679 -24.226  16.403  1.00  3.74           C  
-ATOM    424  O   TYR B 193       3.049 -23.372  15.777  1.00  3.86           O  
-ATOM    425  CB ATYR B 193       5.531 -24.815  14.854  0.50  3.71           C  
-ATOM    426  CB BTYR B 193       5.535 -24.910  14.849  0.50  3.64           C  
-ATOM    427  CG ATYR B 193       6.276 -23.697  15.569  0.50  3.80           C  
-ATOM    428  CG BTYR B 193       6.232 -26.021  14.092  0.50  3.55           C  
-ATOM    429  CD1ATYR B 193       5.942 -22.362  15.354  0.50  4.00           C  
-ATOM    430  CD1BTYR B 193       7.324 -26.682  14.640  0.50  3.44           C  
-ATOM    431  CD2ATYR B 193       7.289 -23.977  16.478  0.50  3.80           C  
-ATOM    432  CD2BTYR B 193       5.801 -26.405  12.828  0.50  3.29           C  
-ATOM    433  CE1ATYR B 193       6.603 -21.341  16.014  0.50  4.01           C  
-ATOM    434  CE1BTYR B 193       7.964 -27.692  13.954  0.50  3.34           C  
-ATOM    435  CE2ATYR B 193       7.957 -22.962  17.142  0.50  3.78           C  
-ATOM    436  CE2BTYR B 193       6.437 -27.414  12.136  0.50  3.33           C  
-ATOM    437  CZ ATYR B 193       7.610 -21.646  16.904  0.50  3.96           C  
-ATOM    438  CZ BTYR B 193       7.516 -28.053  12.704  0.50  3.26           C  
-ATOM    439  OH ATYR B 193       8.269 -20.630  17.559  0.50  3.97           O  
-ATOM    440  OH BTYR B 193       8.154 -29.060  12.022  0.50  3.33           O  
-ATOM    441  N   CYS B 194       3.828 -24.189  17.724  1.00  3.76           N  
-ATOM    442  CA  CYS B 194       3.206 -23.153  18.542  1.00  3.89           C  
-ATOM    443  C   CYS B 194       4.155 -21.982  18.771  1.00  3.80           C  
-ATOM    444  O   CYS B 194       5.323 -22.183  19.094  1.00  3.82           O  
-ATOM    445  CB  CYS B 194       2.775 -23.742  19.882  1.00  3.83           C  
-ATOM    446  SG  CYS B 194       1.719 -25.189  19.693  1.00  4.46           S  
-ATOM    447  N   SER B 195       3.644 -20.765  18.601  1.00  3.69           N  
-ATOM    448  CA  SER B 195       4.429 -19.563  18.849  1.00  3.71           C  
-ATOM    449  C   SER B 195       4.337 -19.171  20.324  1.00  3.83           C  
-ATOM    450  O   SER B 195       3.642 -19.820  21.110  1.00  3.95           O  
-ATOM    451  CB  SER B 195       3.978 -18.411  17.934  1.00  3.64           C  
-ATOM    452  OG  SER B 195       2.695 -17.911  18.277  1.00  3.80           O  
-ATOM    453  N   ARG B 196       5.046 -18.108  20.688  1.00  3.91           N  
-ATOM    454  CA  ARG B 196       5.115 -17.637  22.067  1.00  3.84           C  
-ATOM    455  C   ARG B 196       4.509 -16.237  22.187  1.00  3.75           C  
-ATOM    456  O   ARG B 196       4.713 -15.391  21.323  1.00  3.70           O  
-ATOM    457  CB  ARG B 196       6.579 -17.633  22.525  1.00  3.92           C  
-ATOM    458  CG  ARG B 196       6.798 -17.099  23.926  1.00  4.30           C  
-ATOM    459  CD  ARG B 196       7.969 -17.777  24.627  0.70  4.69           C  
-ATOM    460  NE  ARG B 196       7.619 -19.125  25.087  0.70  5.07           N  
-ATOM    461  CZ  ARG B 196       8.237 -19.787  26.067  0.70  5.35           C  
-ATOM    462  NH1 ARG B 196       9.261 -19.245  26.728  0.70  5.46           N  
-ATOM    463  NH2 ARG B 196       7.824 -21.008  26.397  0.70  5.30           N  
-ATOM    464  N   CYS B 197       3.753 -16.005  23.257  1.00  3.83           N  
-ATOM    465  CA  CYS B 197       3.192 -14.684  23.534  1.00  3.89           C  
-ATOM    466  C   CYS B 197       4.290 -13.639  23.686  1.00  3.71           C  
-ATOM    467  O   CYS B 197       5.347 -13.917  24.244  1.00  3.76           O  
-ATOM    468  CB  CYS B 197       2.358 -14.698  24.820  1.00  3.94           C  
-ATOM    469  SG  CYS B 197       0.662 -15.310  24.643  1.00  5.12           S  
-ATOM    470  N   THR B 198       4.024 -12.435  23.187  1.00  3.55           N  
-ATOM    471  CA  THR B 198       4.856 -11.275  23.486  1.00  3.32           C  
-ATOM    472  C   THR B 198       4.607 -10.841  24.927  1.00  3.28           C  
-ATOM    473  O   THR B 198       3.662 -11.300  25.566  1.00  3.23           O  
-ATOM    474  CB  THR B 198       4.529 -10.085  22.562  1.00  3.34           C  
-ATOM    475  OG1 THR B 198       3.158  -9.703  22.737  1.00  2.84           O  
-ATOM    476  CG2 THR B 198       4.779 -10.447  21.100  1.00  2.94           C  
-ATOM    477  N   SER B 199       5.460  -9.955  25.429  1.00  3.25           N  
-ATOM    478  CA ASER B 199       5.318  -9.419  26.778  0.50  3.23           C  
-ATOM    479  CA BSER B 199       5.310  -9.423  26.785  0.50  3.23           C  
-ATOM    480  C   SER B 199       3.913  -8.848  26.994  1.00  3.21           C  
-ATOM    481  O   SER B 199       3.263  -9.134  28.000  1.00  3.04           O  
-ATOM    482  CB ASER B 199       6.365  -8.332  27.023  0.50  3.19           C  
-ATOM    483  CB BSER B 199       6.359  -8.347  27.076  0.50  3.19           C  
-ATOM    484  OG ASER B 199       6.440  -8.000  28.395  0.50  3.39           O  
-ATOM    485  OG BSER B 199       7.557  -8.930  27.553  0.50  3.38           O  
-ATOM    486  N   ASP B 200       3.463  -8.045  26.035  1.00  3.16           N  
-ATOM    487  CA  ASP B 200       2.162  -7.387  26.104  1.00  3.20           C  
-ATOM    488  C   ASP B 200       1.006  -8.372  26.000  1.00  3.16           C  
-ATOM    489  O   ASP B 200      -0.009  -8.207  26.674  1.00  3.05           O  
-ATOM    490  CB  ASP B 200       2.032  -6.337  24.994  1.00  3.26           C  
-ATOM    491  CG  ASP B 200       3.018  -5.190  25.148  1.00  3.19           C  
-ATOM    492  OD1 ASP B 200       3.529  -4.976  26.270  1.00  3.03           O  
-ATOM    493  OD2 ASP B 200       3.274  -4.495  24.142  1.00  3.22           O  
-ATOM    494  N   GLN B 201       1.159  -9.382  25.147  1.00  3.11           N  
-ATOM    495  CA  GLN B 201       0.134 -10.411  24.972  1.00  3.09           C  
-ATOM    496  C   GLN B 201      -0.054 -11.223  26.250  1.00  3.11           C  
-ATOM    497  O   GLN B 201      -1.182 -11.451  26.683  1.00  3.33           O  
-ATOM    498  CB  GLN B 201       0.480 -11.334  23.797  1.00  3.05           C  
-ATOM    499  CG  GLN B 201       0.145 -10.733  22.440  1.00  3.00           C  
-ATOM    500  CD  GLN B 201       0.681 -11.537  21.271  1.00  2.83           C  
-ATOM    501  OE1 GLN B 201       1.626 -12.314  21.411  1.00  3.15           O  
-ATOM    502  NE2 GLN B 201       0.082 -11.344  20.100  1.00  2.23           N  
-ATOM    503  N   LEU B 202       1.055 -11.647  26.850  1.00  3.09           N  
-ATOM    504  CA  LEU B 202       1.034 -12.393  28.109  1.00  3.00           C  
-ATOM    505  C   LEU B 202       0.333 -11.601  29.211  1.00  3.08           C  
-ATOM    506  O   LEU B 202      -0.466 -12.154  29.972  1.00  3.06           O  
-ATOM    507  CB  LEU B 202       2.466 -12.726  28.549  1.00  2.98           C  
-ATOM    508  CG  LEU B 202       2.645 -13.479  29.871  1.00  2.63           C  
-ATOM    509  CD1 LEU B 202       2.125 -14.900  29.749  1.00  2.14           C  
-ATOM    510  CD2 LEU B 202       4.106 -13.473  30.304  1.00  2.12           C  
-ATOM    511  N   HIS B 203       0.626 -10.307  29.286  1.00  3.11           N  
-ATOM    512  CA  HIS B 203       0.144  -9.487  30.392  1.00  3.14           C  
-ATOM    513  C   HIS B 203      -1.368  -9.272  30.377  1.00  3.26           C  
-ATOM    514  O   HIS B 203      -2.001  -9.271  31.438  1.00  3.24           O  
-ATOM    515  CB  HIS B 203       0.852  -8.130  30.439  1.00  3.03           C  
-ATOM    516  CG  HIS B 203       0.562  -7.357  31.689  1.00  2.68           C  
-ATOM    517  ND1 HIS B 203      -0.418  -6.392  31.757  1.00  2.00           N  
-ATOM    518  CD2 HIS B 203       1.098  -7.436  32.930  1.00  2.27           C  
-ATOM    519  CE1 HIS B 203      -0.458  -5.895  32.980  1.00  2.00           C  
-ATOM    520  NE2 HIS B 203       0.449  -6.513  33.712  1.00  2.00           N  
-ATOM    521  N   ILE B 204      -1.950  -9.086  29.194  1.00  3.33           N  
-ATOM    522  CA AILE B 204      -3.394  -8.843  29.109  0.50  3.44           C  
-ATOM    523  CA BILE B 204      -3.391  -8.848  29.078  0.50  3.39           C  
-ATOM    524  C   ILE B 204      -4.193 -10.125  29.367  1.00  3.40           C  
-ATOM    525  O   ILE B 204      -5.323 -10.064  29.842  1.00  3.38           O  
-ATOM    526  CB AILE B 204      -3.825  -8.180  27.776  0.50  3.49           C  
-ATOM    527  CB BILE B 204      -3.756  -8.273  27.689  0.50  3.38           C  
-ATOM    528  CG1AILE B 204      -3.813  -9.166  26.611  0.50  3.56           C  
-ATOM    529  CG1BILE B 204      -5.194  -7.747  27.688  0.50  3.25           C  
-ATOM    530  CG2AILE B 204      -2.933  -6.997  27.453  0.50  3.51           C  
-ATOM    531  CG2BILE B 204      -3.552  -9.315  26.596  0.50  3.36           C  
-ATOM    532  CD1AILE B 204      -4.723  -8.732  25.504  0.50  3.87           C  
-ATOM    533  CD1BILE B 204      -5.497  -6.838  26.525  0.50  3.13           C  
-ATOM    534  N   LEU B 205      -3.600 -11.282  29.068  1.00  3.37           N  
-ATOM    535  CA  LEU B 205      -4.224 -12.570  29.393  1.00  3.27           C  
-ATOM    536  C   LEU B 205      -4.363 -12.715  30.911  1.00  3.18           C  
-ATOM    537  O   LEU B 205      -5.299 -13.350  31.393  1.00  3.45           O  
-ATOM    538  CB  LEU B 205      -3.415 -13.749  28.819  1.00  3.23           C  
-ATOM    539  CG  LEU B 205      -3.480 -14.003  27.307  1.00  2.83           C  
-ATOM    540  CD1 LEU B 205      -2.393 -14.970  26.882  1.00  2.75           C  
-ATOM    541  CD2 LEU B 205      -4.837 -14.533  26.889  1.00  2.07           C  
-ATOM    542  N   LYS B 206      -3.435 -12.117  31.654  1.00  3.02           N  
-ATOM    543  CA  LYS B 206      -3.507 -12.087  33.114  1.00  3.01           C  
-ATOM    544  C   LYS B 206      -4.570 -11.090  33.590  1.00  3.07           C  
-ATOM    545  O   LYS B 206      -5.436 -11.428  34.401  1.00  2.84           O  
-ATOM    546  CB  LYS B 206      -2.145 -11.734  33.715  1.00  2.97           C  
-ATOM    547  CG  LYS B 206      -1.076 -12.806  33.494  1.00  2.83           C  
-ATOM    548  CD  LYS B 206       0.324 -12.287  33.777  1.00  2.53           C  
-ATOM    549  CE  LYS B 206       1.380 -13.388  33.618  1.00  2.16           C  
-ATOM    550  NZ  LYS B 206       2.725 -12.949  34.072  1.00  2.00           N  
-ATOM    551  N   VAL B 207      -4.499  -9.870  33.068  1.00  3.04           N  
-ATOM    552  CA  VAL B 207      -5.409  -8.794  33.454  1.00  2.86           C  
-ATOM    553  C   VAL B 207      -6.867  -9.153  33.159  1.00  2.98           C  
-ATOM    554  O   VAL B 207      -7.751  -8.908  33.980  1.00  2.82           O  
-ATOM    555  CB  VAL B 207      -5.027  -7.481  32.743  1.00  2.90           C  
-ATOM    556  CG1 VAL B 207      -6.079  -6.410  32.939  1.00  2.28           C  
-ATOM    557  CG2 VAL B 207      -3.664  -6.995  33.234  1.00  2.81           C  
-ATOM    558  N   LEU B 208      -7.114  -9.756  32.000  1.00  3.01           N  
-ATOM    559  CA  LEU B 208      -8.470 -10.165  31.623  1.00  2.95           C  
-ATOM    560  C   LEU B 208      -8.848 -11.545  32.166  1.00  2.95           C  
-ATOM    561  O   LEU B 208      -9.796 -12.165  31.695  1.00  2.88           O  
-ATOM    562  CB  LEU B 208      -8.638 -10.115  30.105  1.00  2.89           C  
-ATOM    563  CG  LEU B 208      -8.509  -8.718  29.502  1.00  2.80           C  
-ATOM    564  CD1 LEU B 208      -8.566  -8.791  27.988  1.00  2.66           C  
-ATOM    565  CD2 LEU B 208      -9.589  -7.795  30.039  1.00  2.27           C  
-ATOM    566  N   GLY B 209      -8.095 -12.025  33.149  1.00  3.15           N  
-ATOM    567  CA  GLY B 209      -8.512 -13.159  33.972  1.00  3.28           C  
-ATOM    568  C   GLY B 209      -8.286 -14.554  33.419  1.00  3.45           C  
-ATOM    569  O   GLY B 209      -8.708 -15.529  34.040  1.00  3.43           O  
-ATOM    570  N   ILE B 210      -7.604 -14.661  32.278  1.00  3.54           N  
-ATOM    571  CA  ILE B 210      -7.434 -15.946  31.601  1.00  3.64           C  
-ATOM    572  C   ILE B 210      -6.300 -16.765  32.198  1.00  3.83           C  
-ATOM    573  O   ILE B 210      -6.475 -17.957  32.473  1.00  4.23           O  
-ATOM    574  CB  ILE B 210      -7.165 -15.760  30.091  1.00  3.73           C  
-ATOM    575  CG1 ILE B 210      -8.305 -14.963  29.436  1.00  3.72           C  
-ATOM    576  CG2 ILE B 210      -6.972 -17.113  29.411  1.00  3.66           C  
-ATOM    577  CD1 ILE B 210      -9.719 -15.458  29.781  1.00  2.70           C  
-ATOM    578  N   LEU B 211      -5.142 -16.131  32.388  1.00  3.59           N  
-ATOM    579  CA  LEU B 211      -3.974 -16.793  32.953  1.00  3.46           C  
-ATOM    580  C   LEU B 211      -3.691 -16.336  34.386  1.00  3.37           C  
-ATOM    581  O   LEU B 211      -4.016 -15.204  34.760  1.00  3.17           O  
-ATOM    582  CB  LEU B 211      -2.729 -16.516  32.094  1.00  3.60           C  
-ATOM    583  CG  LEU B 211      -2.652 -17.141  30.697  1.00  3.52           C  
-ATOM    584  CD1 LEU B 211      -1.269 -16.922  30.084  1.00  3.61           C  
-ATOM    585  CD2 LEU B 211      -2.982 -18.621  30.739  1.00  3.67           C  
-ATOM    586  N   PRO B 212      -3.067 -17.214  35.192  1.00  3.20           N  
-ATOM    587  CA  PRO B 212      -2.599 -16.800  36.505  1.00  3.22           C  
-ATOM    588  C   PRO B 212      -1.431 -15.828  36.379  1.00  3.24           C  
-ATOM    589  O   PRO B 212      -0.618 -15.955  35.456  1.00  3.16           O  
-ATOM    590  CB  PRO B 212      -2.152 -18.114  37.152  1.00  3.38           C  
-ATOM    591  CG  PRO B 212      -1.835 -19.013  36.028  1.00  3.34           C  
-ATOM    592  CD  PRO B 212      -2.725 -18.617  34.896  1.00  3.19           C  
-ATOM    593  N   PHE B 213      -1.350 -14.873  37.301  1.00  3.19           N  
-ATOM    594  CA  PHE B 213      -0.371 -13.786  37.207  1.00  3.31           C  
-ATOM    595  C   PHE B 213       1.095 -14.231  37.308  1.00  3.28           C  
-ATOM    596  O   PHE B 213       1.976 -13.499  36.882  1.00  3.24           O  
-ATOM    597  CB  PHE B 213      -0.662 -12.687  38.240  1.00  3.26           C  
-ATOM    598  CG  PHE B 213      -1.538 -11.578  37.716  1.00  3.17           C  
-ATOM    599  CD1 PHE B 213      -2.919 -11.678  37.776  1.00  3.03           C  
-ATOM    600  CD2 PHE B 213      -0.977 -10.434  37.172  1.00  2.92           C  
-ATOM    601  CE1 PHE B 213      -3.725 -10.661  37.298  1.00  3.24           C  
-ATOM    602  CE2 PHE B 213      -1.775  -9.409  36.691  1.00  2.87           C  
-ATOM    603  CZ  PHE B 213      -3.151  -9.523  36.755  1.00  3.51           C  
-ATOM    604  N   ASN B 214       1.350 -15.412  37.870  1.00  3.40           N  
-ATOM    605  CA  ASN B 214       2.714 -15.953  37.934  1.00  3.51           C  
-ATOM    606  C   ASN B 214       3.227 -16.493  36.604  1.00  3.59           C  
-ATOM    607  O   ASN B 214       4.440 -16.661  36.439  1.00  3.91           O  
-ATOM    608  CB  ASN B 214       2.821 -17.058  38.991  1.00  3.44           C  
-ATOM    609  CG  ASN B 214       2.828 -16.517  40.411  1.00  3.39           C  
-ATOM    610  OD1 ASN B 214       2.753 -15.307  40.631  1.00  3.83           O  
-ATOM    611  ND2 ASN B 214       2.913 -17.415  41.382  1.00  2.70           N  
-ATOM    612  N   ALA B 215       2.320 -16.775  35.670  1.00  3.57           N  
-ATOM    613  CA  ALA B 215       2.690 -17.365  34.378  1.00  3.60           C  
-ATOM    614  C   ALA B 215       3.920 -16.673  33.789  1.00  3.63           C  
-ATOM    615  O   ALA B 215       3.857 -15.495  33.451  1.00  3.58           O  
-ATOM    616  CB  ALA B 215       1.526 -17.281  33.400  1.00  3.53           C  
-ATOM    617  N   PRO B 216       5.046 -17.400  33.677  1.00  3.75           N  
-ATOM    618  CA  PRO B 216       6.266 -16.795  33.158  1.00  3.72           C  
-ATOM    619  C   PRO B 216       6.203 -16.555  31.651  1.00  3.76           C  
-ATOM    620  O   PRO B 216       6.883 -15.662  31.142  1.00  3.87           O  
-ATOM    621  CB  PRO B 216       7.338 -17.829  33.506  1.00  3.69           C  
-ATOM    622  CG  PRO B 216       6.626 -19.116  33.520  1.00  3.51           C  
-ATOM    623  CD  PRO B 216       5.229 -18.835  33.968  1.00  3.85           C  
-ATOM    624  N   SER B 217       5.396 -17.354  30.957  1.00  3.76           N  
-ATOM    625  CA  SER B 217       5.216 -17.231  29.513  1.00  3.78           C  
-ATOM    626  C   SER B 217       3.923 -17.920  29.089  1.00  3.81           C  
-ATOM    627  O   SER B 217       3.203 -18.466  29.927  1.00  4.07           O  
-ATOM    628  CB  SER B 217       6.404 -17.858  28.787  1.00  3.89           C  
-ATOM    629  OG  SER B 217       6.447 -19.253  29.022  1.00  4.17           O  
-ATOM    630  N   CYS B 218       3.614 -17.881  27.797  1.00  3.81           N  
-ATOM    631  CA  CYS B 218       2.410 -18.535  27.285  1.00  3.83           C  
-ATOM    632  C   CYS B 218       2.476 -18.796  25.787  1.00  3.62           C  
-ATOM    633  O   CYS B 218       2.755 -17.892  25.001  1.00  3.58           O  
-ATOM    634  CB  CYS B 218       1.177 -17.690  27.585  1.00  3.95           C  
-ATOM    635  SG  CYS B 218      -0.382 -18.491  27.137  1.00  5.08           S  
-ATOM    636  N   GLY B 219       2.192 -20.035  25.403  1.00  3.54           N  
-ATOM    637  CA  GLY B 219       2.208 -20.441  24.004  1.00  3.55           C  
-ATOM    638  C   GLY B 219       0.938 -20.087  23.249  1.00  3.57           C  
-ATOM    639  O   GLY B 219      -0.132 -19.907  23.850  1.00  3.41           O  
-ATOM    640  N   LEU B 220       1.064 -19.986  21.924  1.00  3.48           N  
-ATOM    641  CA  LEU B 220      -0.080 -19.712  21.043  1.00  3.32           C  
-ATOM    642  C   LEU B 220      -0.138 -20.713  19.889  1.00  3.24           C  
-ATOM    643  O   LEU B 220       0.890 -21.051  19.294  1.00  3.08           O  
-ATOM    644  CB  LEU B 220       0.001 -18.294  20.475  1.00  3.17           C  
-ATOM    645  CG  LEU B 220      -0.019 -17.125  21.457  1.00  3.07           C  
-ATOM    646  CD1 LEU B 220       0.328 -15.837  20.732  1.00  2.00           C  
-ATOM    647  CD2 LEU B 220      -1.384 -17.015  22.175  1.00  2.83           C  
-ATOM    648  N   ILE B 221      -1.347 -21.176  19.579  1.00  3.08           N  
-ATOM    649  CA  ILE B 221      -1.582 -22.088  18.460  1.00  3.02           C  
-ATOM    650  C   ILE B 221      -2.604 -21.452  17.518  1.00  3.15           C  
-ATOM    651  O   ILE B 221      -3.542 -20.824  17.975  1.00  3.30           O  
-ATOM    652  CB  ILE B 221      -2.063 -23.472  18.962  1.00  2.92           C  
-ATOM    653  CG1 ILE B 221      -2.205 -24.456  17.798  1.00  2.54           C  
-ATOM    654  CG2 ILE B 221      -3.377 -23.353  19.754  1.00  2.80           C  
-ATOM    655  CD1 ILE B 221      -2.356 -25.896  18.246  1.00  2.10           C  
-ATOM    656  N   THR B 222      -2.409 -21.592  16.208  1.00  3.36           N  
-ATOM    657  CA  THR B 222      -3.342 -21.005  15.236  1.00  3.37           C  
-ATOM    658  C   THR B 222      -4.653 -21.781  15.256  1.00  3.44           C  
-ATOM    659  O   THR B 222      -4.666 -22.973  15.559  1.00  3.45           O  
-ATOM    660  CB  THR B 222      -2.782 -21.002  13.786  1.00  3.45           C  
-ATOM    661  OG1 THR B 222      -2.714 -22.342  13.280  1.00  3.30           O  
-ATOM    662  CG2 THR B 222      -1.397 -20.354  13.725  1.00  3.18           C  
-ATOM    663  N   LEU B 223      -5.754 -21.105  14.940  1.00  3.53           N  
-ATOM    664  CA  LEU B 223      -7.065 -21.755  14.910  1.00  3.59           C  
-ATOM    665  C   LEU B 223      -7.029 -22.959  13.969  1.00  3.65           C  
-ATOM    666  O   LEU B 223      -7.506 -24.043  14.307  1.00  3.74           O  
-ATOM    667  CB  LEU B 223      -8.158 -20.769  14.476  1.00  3.51           C  
-ATOM    668  CG  LEU B 223      -9.567 -21.347  14.291  1.00  3.56           C  
-ATOM    669  CD1 LEU B 223     -10.031 -22.092  15.540  1.00  3.47           C  
-ATOM    670  CD2 LEU B 223     -10.553 -20.251  13.924  1.00  3.45           C  
-ATOM    671  N   THR B 224      -6.442 -22.762  12.795  1.00  3.71           N  
-ATOM    672  CA  THR B 224      -6.318 -23.830  11.810  1.00  3.80           C  
-ATOM    673  C   THR B 224      -5.584 -25.041  12.391  1.00  3.86           C  
-ATOM    674  O   THR B 224      -6.118 -26.152  12.386  1.00  3.84           O  
-ATOM    675  CB  THR B 224      -5.602 -23.332  10.542  1.00  3.73           C  
-ATOM    676  OG1 THR B 224      -6.391 -22.305   9.929  1.00  3.48           O  
-ATOM    677  CG2 THR B 224      -5.397 -24.469   9.556  1.00  3.67           C  
-ATOM    678  N   ASP B 225      -4.373 -24.817  12.901  1.00  3.88           N  
-ATOM    679  CA  ASP B 225      -3.587 -25.892  13.526  1.00  3.87           C  
-ATOM    680  C   ASP B 225      -4.310 -26.532  14.708  1.00  3.75           C  
-ATOM    681  O   ASP B 225      -4.214 -27.743  14.922  1.00  3.63           O  
-ATOM    682  CB  ASP B 225      -2.226 -25.376  14.001  1.00  3.97           C  
-ATOM    683  CG  ASP B 225      -1.237 -25.171  12.863  1.00  4.09           C  
-ATOM    684  OD1 ASP B 225      -1.326 -25.874  11.831  1.00  4.61           O  
-ATOM    685  OD2 ASP B 225      -0.353 -24.303  13.012  1.00  4.21           O  
-ATOM    686  N   ALA B 226      -5.024 -25.712  15.473  1.00  3.69           N  
-ATOM    687  CA  ALA B 226      -5.763 -26.194  16.634  1.00  3.60           C  
-ATOM    688  C   ALA B 226      -6.866 -27.153  16.191  1.00  3.61           C  
-ATOM    689  O   ALA B 226      -7.088 -28.196  16.819  1.00  3.54           O  
-ATOM    690  CB  ALA B 226      -6.345 -25.023  17.410  1.00  3.61           C  
-ATOM    691  N   GLN B 227      -7.543 -26.795  15.101  1.00  3.54           N  
-ATOM    692  CA  GLN B 227      -8.610 -27.620  14.540  1.00  3.49           C  
-ATOM    693  C   GLN B 227      -8.069 -28.920  13.942  1.00  3.46           C  
-ATOM    694  O   GLN B 227      -8.716 -29.962  14.051  1.00  3.47           O  
-ATOM    695  CB  GLN B 227      -9.433 -26.821  13.519  1.00  3.42           C  
-ATOM    696  CG  GLN B 227     -10.352 -25.787  14.193  1.00  3.71           C  
-ATOM    697  CD  GLN B 227     -11.057 -24.848  13.220  1.00  3.81           C  
-ATOM    698  OE1 GLN B 227     -10.536 -24.521  12.156  1.00  4.14           O  
-ATOM    699  NE2 GLN B 227     -12.248 -24.401  13.596  1.00  4.01           N  
-ATOM    700  N   ARG B 228      -6.883 -28.859  13.332  1.00  3.44           N  
-ATOM    701  CA  ARG B 228      -6.194 -30.060  12.838  1.00  3.34           C  
-ATOM    702  C   ARG B 228      -5.808 -30.981  13.988  1.00  3.24           C  
-ATOM    703  O   ARG B 228      -6.031 -32.190  13.927  1.00  3.10           O  
-ATOM    704  CB  ARG B 228      -4.926 -29.686  12.068  1.00  3.35           C  
-ATOM    705  CG  ARG B 228      -5.167 -28.988  10.743  1.00  3.52           C  
-ATOM    706  CD  ARG B 228      -3.890 -28.354  10.227  1.00  3.66           C  
-ATOM    707  NE  ARG B 228      -2.916 -29.356   9.789  1.00  3.78           N  
-ATOM    708  CZ  ARG B 228      -1.592 -29.223   9.863  1.00  3.53           C  
-ATOM    709  NH1 ARG B 228      -1.034 -28.125  10.374  1.00  3.03           N  
-ATOM    710  NH2 ARG B 228      -0.815 -30.208   9.427  1.00  4.11           N  
-ATOM    711  N   LEU B 229      -5.211 -30.393  15.023  1.00  3.24           N  
-ATOM    712  CA  LEU B 229      -4.808 -31.125  16.224  1.00  3.21           C  
-ATOM    713  C   LEU B 229      -5.993 -31.831  16.863  1.00  3.26           C  
-ATOM    714  O   LEU B 229      -5.908 -33.012  17.197  1.00  3.21           O  
-ATOM    715  CB  LEU B 229      -4.181 -30.171  17.240  1.00  3.21           C  
-ATOM    716  CG  LEU B 229      -3.707 -30.780  18.561  1.00  3.07           C  
-ATOM    717  CD1 LEU B 229      -2.580 -31.771  18.324  1.00  2.80           C  
-ATOM    718  CD2 LEU B 229      -3.267 -29.683  19.513  1.00  3.05           C  
-ATOM    719  N   CYS B 230      -7.088 -31.091  17.035  1.00  3.32           N  
-ATOM    720  CA  CYS B 230      -8.324 -31.638  17.596  1.00  3.40           C  
-ATOM    721  C   CYS B 230      -8.864 -32.795  16.756  1.00  3.34           C  
-ATOM    722  O   CYS B 230      -9.220 -33.838  17.303  1.00  3.35           O  
-ATOM    723  CB  CYS B 230      -9.393 -30.547  17.731  1.00  3.44           C  
-ATOM    724  SG  CYS B 230      -9.144 -29.415  19.126  1.00  3.92           S  
-ATOM    725  N   ASN B 231      -8.919 -32.604  15.437  1.00  3.29           N  
-ATOM    726  CA  ASN B 231      -9.386 -33.645  14.512  1.00  3.25           C  
-ATOM    727  C   ASN B 231      -8.664 -34.968  14.718  1.00  3.29           C  
-ATOM    728  O   ASN B 231      -9.293 -36.011  14.893  1.00  3.25           O  
-ATOM    729  CB  ASN B 231      -9.183 -33.220  13.054  1.00  3.20           C  
-ATOM    730  CG  ASN B 231     -10.158 -32.155  12.603  1.00  2.99           C  
-ATOM    731  OD1 ASN B 231     -11.212 -31.955  13.202  1.00  2.95           O  
-ATOM    732  ND2 ASN B 231      -9.807 -31.465  11.525  1.00  2.75           N  
-ATOM    733  N   ALA B 232      -7.336 -34.909  14.691  1.00  3.31           N  
-ATOM    734  CA  ALA B 232      -6.498 -36.105  14.772  1.00  3.34           C  
-ATOM    735  C   ALA B 232      -6.719 -36.912  16.055  1.00  3.38           C  
-ATOM    736  O   ALA B 232      -6.692 -38.144  16.028  1.00  3.41           O  
-ATOM    737  CB  ALA B 232      -5.028 -35.721  14.637  1.00  3.33           C  
-ATOM    738  N   LEU B 233      -6.951 -36.217  17.166  1.00  3.40           N  
-ATOM    739  CA  LEU B 233      -7.031 -36.853  18.486  1.00  3.40           C  
-ATOM    740  C   LEU B 233      -8.440 -37.306  18.855  1.00  3.46           C  
-ATOM    741  O   LEU B 233      -8.623 -38.395  19.403  1.00  3.43           O  
-ATOM    742  CB  LEU B 233      -6.511 -35.895  19.554  1.00  3.36           C  
-ATOM    743  CG  LEU B 233      -5.022 -35.570  19.463  1.00  3.22           C  
-ATOM    744  CD1 LEU B 233      -4.701 -34.359  20.316  1.00  3.33           C  
-ATOM    745  CD2 LEU B 233      -4.183 -36.768  19.878  1.00  2.73           C  
-ATOM    746  N   LEU B 234      -9.426 -36.462  18.565  1.00  3.56           N  
-ATOM    747  CA  LEU B 234     -10.821 -36.745  18.902  1.00  3.62           C  
-ATOM    748  C   LEU B 234     -11.513 -37.591  17.837  1.00  3.65           C  
-ATOM    749  O   LEU B 234     -12.377 -38.406  18.160  1.00  3.67           O  
-ATOM    750  CB  LEU B 234     -11.596 -35.439  19.116  1.00  3.62           C  
-ATOM    751  CG  LEU B 234     -11.197 -34.636  20.360  1.00  3.59           C  
-ATOM    752  CD1 LEU B 234     -11.745 -33.215  20.300  1.00  3.43           C  
-ATOM    753  CD2 LEU B 234     -11.664 -35.342  21.628  1.00  3.32           C  
-ATOM    754  N   ARG B 235     -11.135 -37.393  16.575  1.00  3.68           N  
-ATOM    755  CA  ARG B 235     -11.771 -38.082  15.448  1.00  3.72           C  
-ATOM    756  C   ARG B 235     -10.731 -38.703  14.517  1.00  3.79           C  
-ATOM    757  O   ARG B 235     -10.596 -38.278  13.367  1.00  3.82           O  
-ATOM    758  CB  ARG B 235     -12.651 -37.105  14.661  1.00  3.68           C  
-ATOM    759  CG  ARG B 235     -13.851 -36.581  15.430  1.00  3.67           C  
-ATOM    760  CD  ARG B 235     -14.533 -35.438  14.691  1.00  3.51           C  
-ATOM    761  NE  ARG B 235     -13.718 -34.224  14.690  1.00  3.39           N  
-ATOM    762  CZ  ARG B 235     -13.606 -33.374  15.710  1.00  3.22           C  
-ATOM    763  NH1 ARG B 235     -14.254 -33.582  16.852  1.00  3.30           N  
-ATOM    764  NH2 ARG B 235     -12.829 -32.303  15.588  1.00  3.17           N  
-ATOM    765  N   PRO B 236      -9.993 -39.715  15.006  1.00  3.84           N  
-ATOM    766  CA  PRO B 236      -8.977 -40.371  14.184  1.00  3.92           C  
-ATOM    767  C   PRO B 236      -9.580 -41.216  13.059  1.00  4.02           C  
-ATOM    768  O   PRO B 236     -10.712 -41.695  13.177  1.00  4.08           O  
-ATOM    769  CB  PRO B 236      -8.238 -41.260  15.187  1.00  3.91           C  
-ATOM    770  CG  PRO B 236      -9.239 -41.550  16.236  1.00  3.88           C  
-ATOM    771  CD  PRO B 236     -10.081 -40.316  16.350  1.00  3.84           C  
-ATOM    772  N   ARG B 237      -8.818 -41.391  11.984  1.00  4.08           N  
-ATOM    773  CA  ARG B 237      -9.264 -42.149  10.815  1.00  4.14           C  
-ATOM    774  C   ARG B 237      -8.685 -43.561  10.837  1.00  4.11           C  
-ATOM    775  O   ARG B 237      -9.374 -44.532  10.526  1.00  4.10           O  
-ATOM    776  CB  ARG B 237      -8.839 -41.431   9.531  1.00  4.17           C  
-ATOM    777  CG  ARG B 237      -9.266 -39.967   9.476  1.00  4.45           C  
-ATOM    778  CD  ARG B 237      -8.494 -39.185   8.421  1.00  4.93           C  
-ATOM    779  NE  ARG B 237      -8.574 -37.740   8.651  1.00  5.22           N  
-ATOM    780  CZ  ARG B 237      -9.574 -36.949   8.256  1.00  5.71           C  
-ATOM    781  NH1 ARG B 237     -10.618 -37.436   7.584  1.00  5.83           N  
-ATOM    782  NH2 ARG B 237      -9.529 -35.647   8.534  1.00  5.76           N  

Deleted: SwiftApps/modFTDock/input/3eq5-7.pdb
===================================================================
--- SwiftApps/modFTDock/input/3eq5-7.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/3eq5-7.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,735 +0,0 @@
-ATOM      1  N   SER G 141     -30.633  -9.753  42.930  1.00  3.81           N  
-ATOM      2  CA  SER G 141     -30.009 -11.096  43.112  1.00  3.80           C  
-ATOM      3  C   SER G 141     -30.983 -12.220  42.755  1.00  3.76           C  
-ATOM      4  O   SER G 141     -32.159 -11.981  42.465  1.00  3.62           O  
-ATOM      5  CB  SER G 141     -29.505 -11.264  44.552  1.00  3.80           C  
-ATOM      6  OG  SER G 141     -28.288 -10.564  44.752  1.00  3.79           O  
-ATOM      7  N   THR G 142     -30.464 -13.444  42.777  1.00  3.77           N  
-ATOM      8  CA  THR G 142     -31.220 -14.644  42.411  1.00  3.81           C  
-ATOM      9  C   THR G 142     -31.934 -15.310  43.608  1.00  3.83           C  
-ATOM     10  O   THR G 142     -32.918 -16.028  43.427  1.00  3.88           O  
-ATOM     11  CB  THR G 142     -30.287 -15.674  41.719  1.00  3.82           C  
-ATOM     12  OG1 THR G 142     -31.028 -16.850  41.379  1.00  4.04           O  
-ATOM     13  CG2 THR G 142     -29.107 -16.058  42.619  1.00  3.68           C  
-ATOM     14  N   GLU G 143     -31.437 -15.056  44.818  1.00  3.83           N  
-ATOM     15  CA  GLU G 143     -31.924 -15.702  46.043  1.00  3.79           C  
-ATOM     16  C   GLU G 143     -33.364 -15.324  46.404  1.00  3.67           C  
-ATOM     17  O   GLU G 143     -33.641 -14.181  46.765  1.00  3.57           O  
-ATOM     18  CB  GLU G 143     -30.995 -15.341  47.210  1.00  3.88           C  
-ATOM     19  CG  GLU G 143     -31.415 -15.882  48.581  1.00  4.21           C  
-ATOM     20  CD  GLU G 143     -30.548 -15.340  49.710  1.00  4.53           C  
-ATOM     21  OE1 GLU G 143     -29.305 -15.318  49.554  1.00  4.91           O  
-ATOM     22  OE2 GLU G 143     -31.111 -14.938  50.753  1.00  4.38           O  
-ATOM     23  N   LEU G 144     -34.273 -16.294  46.328  1.00  3.63           N  
-ATOM     24  CA  LEU G 144     -35.664 -16.068  46.730  1.00  3.59           C  
-ATOM     25  C   LEU G 144     -35.846 -16.342  48.217  1.00  3.54           C  
-ATOM     26  O   LEU G 144     -35.393 -17.368  48.726  1.00  3.57           O  
-ATOM     27  CB  LEU G 144     -36.628 -16.943  45.929  1.00  3.51           C  
-ATOM     28  CG  LEU G 144     -38.091 -16.503  46.053  1.00  3.55           C  
-ATOM     29  CD1 LEU G 144     -38.315 -15.207  45.287  1.00  3.16           C  
-ATOM     30  CD2 LEU G 144     -39.050 -17.591  45.573  1.00  3.68           C  
-ATOM     31  N   THR G 145     -36.525 -15.424  48.900  1.00  3.49           N  
-ATOM     32  CA  THR G 145     -36.779 -15.539  50.334  1.00  3.47           C  
-ATOM     33  C   THR G 145     -38.234 -15.168  50.648  1.00  3.44           C  
-ATOM     34  O   THR G 145     -39.010 -14.868  49.738  1.00  3.27           O  
-ATOM     35  CB  THR G 145     -35.806 -14.648  51.143  1.00  3.48           C  
-ATOM     36  OG1 THR G 145     -36.008 -14.862  52.545  1.00  3.78           O  
-ATOM     37  CG2 THR G 145     -36.012 -13.175  50.813  1.00  3.30           C  
-ATOM     38  N   GLN G 146     -38.596 -15.201  51.929  1.00  3.45           N  
-ATOM     39  CA  GLN G 146     -39.961 -14.885  52.359  1.00  3.52           C  
-ATOM     40  C   GLN G 146     -39.989 -13.838  53.471  1.00  3.49           C  
-ATOM     41  O   GLN G 146     -39.099 -13.796  54.320  1.00  3.59           O  
-ATOM     42  CB  GLN G 146     -40.689 -16.152  52.819  1.00  3.48           C  
-ATOM     43  CG  GLN G 146     -40.790 -17.231  51.738  1.00  3.65           C  
-ATOM     44  CD  GLN G 146     -41.866 -18.284  52.015  1.00  3.80           C  
-ATOM     45  OE1 GLN G 146     -42.655 -18.162  52.956  1.00  3.82           O  
-ATOM     46  NE2 GLN G 146     -41.902 -19.321  51.183  1.00  3.36           N  
-ATOM     47  N   THR G 147     -41.018 -12.992  53.444  1.00  3.44           N  
-ATOM     48  CA  THR G 147     -41.257 -11.981  54.479  1.00  3.34           C  
-ATOM     49  C   THR G 147     -42.763 -11.874  54.745  1.00  3.36           C  
-ATOM     50  O   THR G 147     -43.574 -12.144  53.860  1.00  3.26           O  
-ATOM     51  CB  THR G 147     -40.679 -10.602  54.070  1.00  3.35           C  
-ATOM     52  OG1 THR G 147     -40.875  -9.655  55.127  1.00  3.03           O  
-ATOM     53  CG2 THR G 147     -41.339 -10.085  52.794  1.00  3.31           C  
-ATOM     54  N   VAL G 148     -43.123 -11.482  55.965  1.00  3.43           N  
-ATOM     55  CA  VAL G 148     -44.520 -11.484  56.415  1.00  3.40           C  
-ATOM     56  C   VAL G 148     -45.222 -10.140  56.193  1.00  3.41           C  
-ATOM     57  O   VAL G 148     -44.742  -9.097  56.631  1.00  3.37           O  
-ATOM     58  CB  VAL G 148     -44.628 -11.841  57.912  1.00  3.36           C  
-ATOM     59  CG1 VAL G 148     -46.083 -11.916  58.331  1.00  3.51           C  
-ATOM     60  CG2 VAL G 148     -43.925 -13.160  58.202  1.00  3.33           C  
-ATOM     61  N   LEU G 149     -46.372 -10.184  55.527  1.00  3.50           N  
-ATOM     62  CA  LEU G 149     -47.187  -8.996  55.271  1.00  3.50           C  
-ATOM     63  C   LEU G 149     -48.633  -9.269  55.676  1.00  3.49           C  
-ATOM     64  O   LEU G 149     -49.217 -10.265  55.250  1.00  3.47           O  
-ATOM     65  CB  LEU G 149     -47.127  -8.633  53.788  1.00  3.49           C  
-ATOM     66  CG  LEU G 149     -47.815  -7.335  53.359  1.00  3.50           C  
-ATOM     67  CD1 LEU G 149     -47.049  -6.127  53.878  1.00  3.46           C  
-ATOM     68  CD2 LEU G 149     -47.942  -7.282  51.844  1.00  3.44           C  
-ATOM     69  N   GLU G 150     -49.200  -8.386  56.497  1.00  3.55           N  
-ATOM     70  CA  GLU G 150     -50.587  -8.517  56.981  1.00  3.59           C  
-ATOM     71  C   GLU G 150     -50.946  -9.968  57.310  1.00  3.54           C  
-ATOM     72  O   GLU G 150     -51.971 -10.480  56.866  1.00  3.53           O  
-ATOM     73  CB  GLU G 150     -51.576  -7.949  55.953  1.00  3.62           C  
-ATOM     74  CG  GLU G 150     -51.402  -6.456  55.658  1.00  3.83           C  
-ATOM     75  CD  GLU G 150     -51.878  -5.550  56.787  1.00  3.98           C  
-ATOM     76  OE1 GLU G 150     -52.740  -5.972  57.590  1.00  4.41           O  
-ATOM     77  OE2 GLU G 150     -51.397  -4.399  56.862  1.00  3.91           O  
-ATOM     78  N   GLY G 151     -50.077 -10.630  58.069  1.00  3.59           N  
-ATOM     79  CA  GLY G 151     -50.271 -12.028  58.452  1.00  3.65           C  
-ATOM     80  C   GLY G 151     -49.725 -13.049  57.465  1.00  3.75           C  
-ATOM     81  O   GLY G 151     -49.242 -14.107  57.871  1.00  3.77           O  
-ATOM     82  N   GLU G 152     -49.798 -12.737  56.173  1.00  3.83           N  
-ATOM     83  CA  GLU G 152     -49.436 -13.688  55.121  1.00  3.90           C  
-ATOM     84  C   GLU G 152     -47.929 -13.694  54.871  1.00  3.96           C  
-ATOM     85  O   GLU G 152     -47.258 -12.674  55.027  1.00  4.07           O  
-ATOM     86  CB  GLU G 152     -50.176 -13.342  53.824  1.00  3.97           C  
-ATOM     87  CG  GLU G 152     -50.381 -14.519  52.867  1.00  4.24           C  
-ATOM     88  CD  GLU G 152     -51.595 -15.373  53.213  1.00  4.75           C  
-ATOM     89  OE1 GLU G 152     -52.155 -16.007  52.292  1.00  5.11           O  
-ATOM     90  OE2 GLU G 152     -51.997 -15.409  54.397  1.00  5.13           O  
-ATOM     91  N   SER G 153     -47.410 -14.853  54.475  1.00  3.91           N  
-ATOM     92  CA  SER G 153     -45.999 -15.007  54.142  1.00  3.81           C  
-ATOM     93  C   SER G 153     -45.821 -14.882  52.631  1.00  3.85           C  
-ATOM     94  O   SER G 153     -46.265 -15.747  51.880  1.00  3.99           O  
-ATOM     95  CB  SER G 153     -45.493 -16.366  54.627  1.00  3.81           C  
-ATOM     96  OG  SER G 153     -44.101 -16.505  54.404  1.00  3.73           O  
-ATOM     97  N   ILE G 154     -45.175 -13.801  52.196  1.00  3.77           N  
-ATOM     98  CA  ILE G 154     -45.021 -13.493  50.775  1.00  3.66           C  
-ATOM     99  C   ILE G 154     -43.601 -13.792  50.304  1.00  3.72           C  
-ATOM    100  O   ILE G 154     -42.635 -13.519  51.015  1.00  3.72           O  
-ATOM    101  CB  ILE G 154     -45.317 -11.999  50.488  1.00  3.64           C  
-ATOM    102  CG1 ILE G 154     -46.706 -11.606  50.993  1.00  3.61           C  
-ATOM    103  CG2 ILE G 154     -45.206 -11.701  48.997  1.00  3.59           C  
-ATOM    104  CD1 ILE G 154     -47.828 -12.449  50.424  1.00  3.44           C  
-ATOM    105  N   SER G 155     -43.479 -14.352  49.104  1.00  3.64           N  
-ATOM    106  CA  SER G 155     -42.172 -14.599  48.515  1.00  3.62           C  
-ATOM    107  C   SER G 155     -41.611 -13.278  48.013  1.00  3.68           C  
-ATOM    108  O   SER G 155     -42.348 -12.457  47.461  1.00  3.71           O  
-ATOM    109  CB  SER G 155     -42.260 -15.614  47.375  1.00  3.62           C  
-ATOM    110  OG  SER G 155     -42.534 -16.912  47.875  1.00  3.46           O  
-ATOM    111  N   CYS G 156     -40.314 -13.071  48.216  1.00  3.60           N  
-ATOM    112  CA  CYS G 156     -39.683 -11.807  47.854  1.00  3.69           C  
-ATOM    113  C   CYS G 156     -38.214 -11.983  47.476  1.00  3.68           C  
-ATOM    114  O   CYS G 156     -37.534 -12.891  47.962  1.00  3.56           O  
-ATOM    115  CB  CYS G 156     -39.804 -10.809  49.008  1.00  3.67           C  
-ATOM    116  SG  CYS G 156     -38.848 -11.256  50.479  1.00  4.15           S  
-ATOM    117  N   PHE G 157     -37.740 -11.101  46.600  1.00  3.72           N  
-ATOM    118  CA  PHE G 157     -36.348 -11.099  46.167  1.00  3.71           C  
-ATOM    119  C   PHE G 157     -35.565 -10.058  46.946  1.00  3.79           C  
-ATOM    120  O   PHE G 157     -36.038  -8.941  47.165  1.00  3.72           O  
-ATOM    121  CB  PHE G 157     -36.242 -10.817  44.669  1.00  3.69           C  
-ATOM    122  CG  PHE G 157     -36.631 -11.983  43.808  1.00  3.76           C  
-ATOM    123  CD1 PHE G 157     -37.840 -11.991  43.126  1.00  3.74           C  
-ATOM    124  CD2 PHE G 157     -35.790 -13.081  43.690  1.00  3.75           C  
-ATOM    125  CE1 PHE G 157     -38.199 -13.068  42.337  1.00  3.74           C  
-ATOM    126  CE2 PHE G 157     -36.143 -14.161  42.902  1.00  3.67           C  
-ATOM    127  CZ  PHE G 157     -37.349 -14.155  42.224  1.00  3.76           C  
-ATOM    128  N   GLN G 158     -34.361 -10.436  47.356  1.00  3.95           N  
-ATOM    129  CA  GLN G 158     -33.496  -9.555  48.124  1.00  4.07           C  
-ATOM    130  C   GLN G 158     -32.504  -8.839  47.219  1.00  4.09           C  
-ATOM    131  O   GLN G 158     -31.670  -9.476  46.577  1.00  4.23           O  
-ATOM    132  CB  GLN G 158     -32.744 -10.356  49.177  1.00  4.07           C  
-ATOM    133  CG  GLN G 158     -31.908  -9.503  50.097  1.00  4.32           C  
-ATOM    134  CD  GLN G 158     -32.722  -8.557  50.968  1.00  4.41           C  
-ATOM    135  OE1 GLN G 158     -33.681  -8.964  51.623  1.00  4.59           O  
-ATOM    136  NE2 GLN G 158     -32.320  -7.290  51.000  1.00  4.64           N  
-ATOM    137  N   VAL G 159     -32.593  -7.513  47.188  1.00  4.16           N  
-ATOM    138  CA  VAL G 159     -31.711  -6.690  46.360  1.00  4.22           C  
-ATOM    139  C   VAL G 159     -30.956  -5.682  47.230  1.00  4.28           C  
-ATOM    140  O   VAL G 159     -31.160  -4.470  47.131  1.00  4.37           O  
-ATOM    141  CB  VAL G 159     -32.506  -5.964  45.250  1.00  4.26           C  
-ATOM    142  CG1 VAL G 159     -33.187  -6.978  44.336  1.00  4.11           C  
-ATOM    143  CG2 VAL G 159     -33.535  -5.023  45.855  1.00  4.35           C  
-ATOM    144  N   GLY G 160     -30.077  -6.200  48.082  1.00  4.35           N  
-ATOM    145  CA  GLY G 160     -29.281  -5.362  48.979  1.00  4.38           C  
-ATOM    146  C   GLY G 160     -30.078  -5.024  50.222  1.00  4.45           C  
-ATOM    147  O   GLY G 160     -30.221  -5.870  51.110  1.00  4.63           O  
-ATOM    148  N   GLY G 161     -30.632  -3.827  50.316  1.00  4.41           N  
-ATOM    149  CA  GLY G 161     -31.487  -3.552  51.469  1.00  4.37           C  
-ATOM    150  C   GLY G 161     -32.976  -3.454  51.191  1.00  4.24           C  
-ATOM    151  O   GLY G 161     -33.742  -3.127  52.095  1.00  4.35           O  
-ATOM    152  N   GLU G 162     -33.395  -3.725  49.960  1.00  4.11           N  
-ATOM    153  CA  GLU G 162     -34.814  -3.707  49.637  1.00  4.09           C  
-ATOM    154  C   GLU G 162     -35.363  -5.111  49.505  1.00  3.96           C  
-ATOM    155  O   GLU G 162     -34.769  -5.970  48.864  1.00  3.92           O  
-ATOM    156  CB  GLU G 162     -35.083  -2.905  48.383  1.00  4.12           C  
-ATOM    157  CG  GLU G 162     -35.567  -1.545  48.733  1.00  4.29           C  
-ATOM    158  CD  GLU G 162     -35.603  -0.635  47.562  1.00  4.50           C  
-ATOM    159  OE1 GLU G 162     -35.762  -1.132  46.423  1.00  4.28           O  
-ATOM    160  OE2 GLU G 162     -35.463   0.585  47.784  1.00  4.78           O  
-ATOM    161  N   LYS G 163     -36.498  -5.340  50.141  1.00  3.92           N  
-ATOM    162  CA  LYS G 163     -37.214  -6.576  49.962  1.00  3.89           C  
-ATOM    163  C   LYS G 163     -38.253  -6.282  48.913  1.00  3.80           C  
-ATOM    164  O   LYS G 163     -39.078  -5.401  49.092  1.00  3.80           O  
-ATOM    165  CB  LYS G 163     -37.842  -7.046  51.267  1.00  3.94           C  
-ATOM    166  CG  LYS G 163     -37.031  -8.129  51.900  1.00  4.22           C  
-ATOM    167  CD  LYS G 163     -37.495  -8.504  53.267  1.00  4.70           C  
-ATOM    168  CE  LYS G 163     -36.841  -9.808  53.675  1.00  5.13           C  
-ATOM    169  NZ  LYS G 163     -37.155 -10.226  55.069  1.00  5.31           N  
-ATOM    170  N   ARG G 164     -38.188  -6.999  47.799  1.00  3.74           N  
-ATOM    171  CA  ARG G 164     -39.136  -6.797  46.703  1.00  3.68           C  
-ATOM    172  C   ARG G 164     -40.100  -7.979  46.584  1.00  3.60           C  
-ATOM    173  O   ARG G 164     -39.716  -9.074  46.174  1.00  3.57           O  
-ATOM    174  CB  ARG G 164     -38.384  -6.543  45.400  1.00  3.64           C  
-ATOM    175  CG  ARG G 164     -37.732  -5.166  45.375  1.00  3.74           C  
-ATOM    176  CD  ARG G 164     -36.745  -5.005  44.239  1.00  3.94           C  
-ATOM    177  NE  ARG G 164     -35.981  -3.764  44.368  1.00  4.17           N  
-ATOM    178  CZ  ARG G 164     -34.977  -3.403  43.572  1.00  4.22           C  
-ATOM    179  NH1 ARG G 164     -34.345  -2.254  43.788  1.00  4.71           N  
-ATOM    180  NH2 ARG G 164     -34.591  -4.184  42.568  1.00  4.15           N  
-ATOM    181  N   LEU G 165     -41.356  -7.731  46.943  1.00  3.53           N  
-ATOM    182  CA  LEU G 165     -42.357  -8.788  47.110  1.00  3.53           C  
-ATOM    183  C   LEU G 165     -43.044  -9.175  45.802  1.00  3.52           C  
-ATOM    184  O   LEU G 165     -43.247  -8.339  44.927  1.00  3.59           O  
-ATOM    185  CB  LEU G 165     -43.415  -8.356  48.132  1.00  3.43           C  
-ATOM    186  CG  LEU G 165     -42.990  -8.413  49.602  1.00  3.38           C  
-ATOM    187  CD1 LEU G 165     -41.888  -7.411  49.908  1.00  3.25           C  
-ATOM    188  CD2 LEU G 165     -44.187  -8.171  50.500  1.00  3.34           C  
-ATOM    189  N   CYS G 166     -43.406 -10.450  45.691  1.00  3.52           N  
-ATOM    190  CA  CYS G 166     -44.142 -10.964  44.531  1.00  3.60           C  
-ATOM    191  C   CYS G 166     -45.533 -10.342  44.484  1.00  3.46           C  
-ATOM    192  O   CYS G 166     -46.369 -10.642  45.325  1.00  3.49           O  
-ATOM    193  CB  CYS G 166     -44.249 -12.488  44.616  1.00  3.60           C  
-ATOM    194  SG  CYS G 166     -45.343 -13.250  43.409  1.00  4.16           S  
-ATOM    195  N   LEU G 167     -45.770  -9.473  43.505  1.00  3.49           N  
-ATOM    196  CA  LEU G 167     -46.998  -8.669  43.456  1.00  3.50           C  
-ATOM    197  C   LEU G 167     -48.287  -9.492  43.317  1.00  3.62           C  
-ATOM    198  O   LEU G 167     -49.271  -9.202  44.000  1.00  3.75           O  
-ATOM    199  CB  LEU G 167     -46.916  -7.615  42.341  1.00  3.47           C  
-ATOM    200  CG  LEU G 167     -48.001  -6.533  42.344  1.00  3.36           C  
-ATOM    201  CD1 LEU G 167     -47.854  -5.632  43.560  1.00  3.44           C  
-ATOM    202  CD2 LEU G 167     -47.951  -5.715  41.066  1.00  3.18           C  
-ATOM    203  N   PRO G 168     -48.299 -10.508  42.431  1.00  3.64           N  
-ATOM    204  CA  PRO G 168     -49.486 -11.356  42.340  1.00  3.70           C  
-ATOM    205  C   PRO G 168     -49.970 -11.891  43.691  1.00  3.78           C  
-ATOM    206  O   PRO G 168     -51.176 -11.942  43.929  1.00  3.78           O  
-ATOM    207  CB  PRO G 168     -49.021 -12.502  41.441  1.00  3.66           C  
-ATOM    208  CG  PRO G 168     -48.033 -11.879  40.550  1.00  3.69           C  
-ATOM    209  CD  PRO G 168     -47.323 -10.839  41.377  1.00  3.66           C  
-ATOM    210  N   GLN G 169     -49.039 -12.278  44.561  1.00  3.83           N  
-ATOM    211  CA  GLN G 169     -49.398 -12.759  45.897  1.00  3.92           C  
-ATOM    212  C   GLN G 169     -50.082 -11.675  46.733  1.00  3.92           C  
-ATOM    213  O   GLN G 169     -51.080 -11.947  47.398  1.00  3.93           O  
-ATOM    214  CB  GLN G 169     -48.171 -13.299  46.643  1.00  4.02           C  
-ATOM    215  CG  GLN G 169     -47.813 -14.736  46.286  1.00  4.27           C  
-ATOM    216  CD  GLN G 169     -46.628 -15.261  47.081  1.00  4.67           C  
-ATOM    217  OE1 GLN G 169     -45.651 -14.545  47.309  1.00  5.18           O  
-ATOM    218  NE2 GLN G 169     -46.705 -16.521  47.497  1.00  4.64           N  
-ATOM    219  N   VAL G 170     -49.549 -10.454  46.695  1.00  3.89           N  
-ATOM    220  CA  VAL G 170     -50.121  -9.339  47.460  1.00  3.83           C  
-ATOM    221  C   VAL G 170     -51.511  -8.960  46.945  1.00  3.84           C  
-ATOM    222  O   VAL G 170     -52.433  -8.754  47.737  1.00  3.94           O  
-ATOM    223  CB  VAL G 170     -49.211  -8.087  47.436  1.00  3.88           C  
-ATOM    224  CG1 VAL G 170     -49.881  -6.924  48.163  1.00  3.70           C  
-ATOM    225  CG2 VAL G 170     -47.850  -8.394  48.057  1.00  3.66           C  
-ATOM    226  N   LEU G 171     -51.662  -8.879  45.625  1.00  3.78           N  
-ATOM    227  CA  LEU G 171     -52.949  -8.510  45.027  1.00  3.83           C  
-ATOM    228  C   LEU G 171     -54.008  -9.603  45.204  1.00  3.79           C  
-ATOM    229  O   LEU G 171     -55.132  -9.315  45.612  1.00  3.82           O  
-ATOM    230  CB  LEU G 171     -52.787  -8.172  43.539  1.00  3.83           C  
-ATOM    231  CG  LEU G 171     -51.893  -6.973  43.198  1.00  4.09           C  
-ATOM    232  CD1 LEU G 171     -51.884  -6.733  41.694  1.00  4.09           C  
-ATOM    233  CD2 LEU G 171     -52.332  -5.710  43.936  1.00  4.03           C  
-ATOM    234  N   ASN G 172     -53.643 -10.850  44.914  1.00  3.77           N  
-ATOM    235  CA  ASN G 172     -54.604 -11.961  44.911  1.00  3.77           C  
-ATOM    236  C   ASN G 172     -54.690 -12.741  46.230  1.00  3.75           C  
-ATOM    237  O   ASN G 172     -55.059 -13.919  46.232  1.00  3.76           O  
-ATOM    238  CB  ASN G 172     -54.292 -12.924  43.754  1.00  3.76           C  
-ATOM    239  CG  ASN G 172     -54.286 -12.233  42.399  1.00  3.72           C  
-ATOM    240  OD1 ASN G 172     -54.729 -11.092  42.264  1.00  3.32           O  
-ATOM    241  ND2 ASN G 172     -53.785 -12.929  41.385  1.00  3.90           N  
-ATOM    242  N   SER G 173     -54.361 -12.088  47.345  1.00  3.69           N  
-ATOM    243  CA  SER G 173     -54.497 -12.704  48.670  1.00  3.62           C  
-ATOM    244  C   SER G 173     -54.626 -11.661  49.786  1.00  3.59           C  
-ATOM    245  O   SER G 173     -55.671 -11.569  50.432  1.00  3.56           O  
-ATOM    246  CB  SER G 173     -53.325 -13.651  48.951  1.00  3.61           C  
-ATOM    247  OG  SER G 173     -53.565 -14.430  50.109  1.00  3.55           O  
-ATOM    248  N   VAL G 174     -53.570 -10.877  50.004  1.00  3.53           N  
-ATOM    249  CA  VAL G 174     -53.555  -9.862  51.064  1.00  3.50           C  
-ATOM    250  C   VAL G 174     -54.568  -8.754  50.786  1.00  3.46           C  
-ATOM    251  O   VAL G 174     -55.263  -8.302  51.697  1.00  3.42           O  
-ATOM    252  CB  VAL G 174     -52.147  -9.228  51.240  1.00  3.55           C  
-ATOM    253  CG1 VAL G 174     -52.200  -8.019  52.172  1.00  3.44           C  
-ATOM    254  CG2 VAL G 174     -51.154 -10.258  51.764  1.00  3.52           C  
-ATOM    255  N   LEU G 175     -54.639  -8.320  49.530  1.00  3.41           N  
-ATOM    256  CA  LEU G 175     -55.569  -7.270  49.115  1.00  3.39           C  
-ATOM    257  C   LEU G 175     -56.633  -7.818  48.159  1.00  3.38           C  
-ATOM    258  O   LEU G 175     -57.051  -7.136  47.222  1.00  3.32           O  
-ATOM    259  CB  LEU G 175     -54.803  -6.114  48.458  1.00  3.37           C  
-ATOM    260  CG  LEU G 175     -53.592  -5.558  49.218  1.00  3.30           C  
-ATOM    261  CD1 LEU G 175     -53.072  -4.309  48.528  1.00  3.13           C  
-ATOM    262  CD2 LEU G 175     -53.927  -5.258  50.671  1.00  3.20           C  
-ATOM    263  N   ARG G 176     -57.078  -9.047  48.413  1.00  3.37           N  
-ATOM    264  CA  ARG G 176     -58.091  -9.696  47.577  1.00  3.36           C  
-ATOM    265  C   ARG G 176     -59.451  -9.001  47.685  1.00  3.35           C  
-ATOM    266  O   ARG G 176     -60.219  -8.977  46.722  1.00  3.27           O  
-ATOM    267  CB  ARG G 176     -58.224 -11.179  47.953  1.00  3.35           C  
-ATOM    268  CG  ARG G 176     -59.249 -11.970  47.138  1.00  3.20           C  
-ATOM    269  CD  ARG G 176     -58.927 -11.976  45.650  1.00  3.15           C  
-ATOM    270  NE  ARG G 176     -59.970 -12.635  44.865  1.00  3.10           N  
-ATOM    271  CZ  ARG G 176     -61.137 -12.086  44.528  1.00  2.89           C  
-ATOM    272  NH1 ARG G 176     -61.452 -10.847  44.899  1.00  2.78           N  
-ATOM    273  NH2 ARG G 176     -62.005 -12.788  43.812  1.00  2.79           N  
-ATOM    274  N   GLU G 177     -59.729  -8.423  48.852  1.00  3.36           N  
-ATOM    275  CA  GLU G 177     -61.010  -7.758  49.124  1.00  3.39           C  
-ATOM    276  C   GLU G 177     -61.197  -6.400  48.426  1.00  3.44           C  
-ATOM    277  O   GLU G 177     -62.247  -5.772  48.576  1.00  3.50           O  
-ATOM    278  CB  GLU G 177     -61.207  -7.590  50.637  1.00  3.36           C  
-ATOM    279  CG  GLU G 177     -60.243  -6.615  51.300  1.00  3.32           C  
-ATOM    280  CD  GLU G 177     -60.344  -6.635  52.808  1.00  3.16           C  
-ATOM    281  OE1 GLU G 177     -61.219  -5.931  53.354  1.00  3.18           O  
-ATOM    282  OE2 GLU G 177     -59.544  -7.345  53.449  1.00  2.97           O  
-ATOM    283  N   PHE G 178     -60.190  -5.953  47.678  1.00  3.48           N  
-ATOM    284  CA  PHE G 178     -60.263  -4.697  46.928  1.00  3.51           C  
-ATOM    285  C   PHE G 178     -60.144  -4.960  45.430  1.00  3.50           C  
-ATOM    286  O   PHE G 178     -59.552  -5.956  45.015  1.00  3.52           O  
-ATOM    287  CB  PHE G 178     -59.151  -3.748  47.379  1.00  3.53           C  
-ATOM    288  CG  PHE G 178     -59.053  -3.602  48.871  1.00  3.57           C  
-ATOM    289  CD1 PHE G 178     -59.884  -2.720  49.552  1.00  3.55           C  
-ATOM    290  CD2 PHE G 178     -58.139  -4.355  49.597  1.00  3.49           C  
-ATOM    291  CE1 PHE G 178     -59.801  -2.587  50.932  1.00  3.57           C  
-ATOM    292  CE2 PHE G 178     -58.048  -4.227  50.977  1.00  3.50           C  
-ATOM    293  CZ  PHE G 178     -58.881  -3.343  51.646  1.00  3.52           C  
-ATOM    294  N   THR G 179     -60.707  -4.065  44.623  1.00  3.50           N  
-ATOM    295  CA  THR G 179     -60.655  -4.196  43.165  1.00  3.52           C  
-ATOM    296  C   THR G 179     -59.305  -3.734  42.614  1.00  3.50           C  
-ATOM    297  O   THR G 179     -58.628  -2.910  43.226  1.00  3.53           O  
-ATOM    298  CB  THR G 179     -61.785  -3.396  42.480  1.00  3.56           C  
-ATOM    299  OG1 THR G 179     -61.784  -2.047  42.962  1.00  3.59           O  
-ATOM    300  CG2 THR G 179     -63.136  -4.029  42.766  1.00  3.37           C  
-ATOM    301  N   LEU G 180     -58.927  -4.272  41.456  1.00  3.50           N  
-ATOM    302  CA  LEU G 180     -57.651  -3.941  40.810  1.00  3.49           C  
-ATOM    303  C   LEU G 180     -57.524  -2.449  40.506  1.00  3.58           C  
-ATOM    304  O   LEU G 180     -56.446  -1.869  40.659  1.00  3.63           O  
-ATOM    305  CB  LEU G 180     -57.477  -4.737  39.511  1.00  3.42           C  
-ATOM    306  CG  LEU G 180     -57.317  -6.255  39.630  1.00  3.31           C  
-ATOM    307  CD1 LEU G 180     -57.281  -6.884  38.248  1.00  3.02           C  
-ATOM    308  CD2 LEU G 180     -56.068  -6.624  40.417  1.00  3.06           C  
-ATOM    309  N   GLN G 181     -58.625  -1.840  40.073  1.00  3.65           N  
-ATOM    310  CA  GLN G 181     -58.652  -0.412  39.748  1.00  3.73           C  
-ATOM    311  C   GLN G 181     -58.466   0.451  41.000  1.00  3.72           C  
-ATOM    312  O   GLN G 181     -57.807   1.491  40.951  1.00  3.70           O  
-ATOM    313  CB  GLN G 181     -59.964  -0.053  39.038  1.00  3.75           C  
-ATOM    314  CG  GLN G 181     -59.961   1.313  38.339  1.00  3.94           C  
-ATOM    315  CD  GLN G 181     -60.448   2.452  39.226  1.00  4.25           C  
-ATOM    316  OE1 GLN G 181     -59.783   3.483  39.353  1.00  4.27           O  
-ATOM    317  NE2 GLN G 181     -61.617   2.272  39.837  1.00  4.43           N  
-ATOM    318  N   GLN G 182     -59.046   0.008  42.114  1.00  3.75           N  
-ATOM    319  CA  GLN G 182     -58.931   0.709  43.396  1.00  3.76           C  
-ATOM    320  C   GLN G 182     -57.499   0.676  43.932  1.00  3.71           C  
-ATOM    321  O   GLN G 182     -57.015   1.664  44.487  1.00  3.66           O  
-ATOM    322  CB  GLN G 182     -59.889   0.095  44.426  1.00  3.80           C  
-ATOM    323  CG  GLN G 182     -59.867   0.770  45.797  1.00  4.00           C  
-ATOM    324  CD  GLN G 182     -60.929   0.233  46.748  1.00  4.27           C  
-ATOM    325  OE1 GLN G 182     -61.723  -0.648  46.396  1.00  4.38           O  
-ATOM    326  NE2 GLN G 182     -60.945   0.768  47.968  1.00  4.23           N  
-ATOM    327  N   ILE G 183     -56.837  -0.466  43.772  1.00  3.67           N  
-ATOM    328  CA  ILE G 183     -55.448  -0.626  44.195  1.00  3.65           C  
-ATOM    329  C   ILE G 183     -54.536   0.314  43.405  1.00  3.71           C  
-ATOM    330  O   ILE G 183     -53.687   0.993  43.984  1.00  3.73           O  
-ATOM    331  CB  ILE G 183     -54.970  -2.087  44.030  1.00  3.62           C  
-ATOM    332  CG1 ILE G 183     -55.689  -2.997  45.029  1.00  3.55           C  
-ATOM    333  CG2 ILE G 183     -53.467  -2.194  44.240  1.00  3.49           C  
-ATOM    334  CD1 ILE G 183     -55.434  -4.476  44.804  1.00  3.27           C  
-ATOM    335  N   ASN G 184     -54.725   0.356  42.088  1.00  3.74           N  
-ATOM    336  CA  ASN G 184     -53.940   1.238  41.220  1.00  3.79           C  
-ATOM    337  C   ASN G 184     -54.250   2.722  41.425  1.00  3.75           C  
-ATOM    338  O   ASN G 184     -53.403   3.575  41.155  1.00  3.76           O  
-ATOM    339  CB  ASN G 184     -54.138   0.862  39.746  1.00  3.82           C  
-ATOM    340  CG  ASN G 184     -53.485  -0.466  39.385  1.00  4.03           C  
-ATOM    341  OD1 ASN G 184     -52.613  -0.968  40.102  1.00  4.24           O  
-ATOM    342  ND2 ASN G 184     -53.903  -1.038  38.260  1.00  4.19           N  
-ATOM    343  N   THR G 185     -55.460   3.025  41.895  1.00  3.75           N  
-ATOM    344  CA  THR G 185     -55.840   4.403  42.224  1.00  3.73           C  
-ATOM    345  C   THR G 185     -55.063   4.900  43.443  1.00  3.69           C  
-ATOM    346  O   THR G 185     -54.604   6.043  43.470  1.00  3.70           O  
-ATOM    347  CB  THR G 185     -57.357   4.533  42.499  1.00  3.72           C  
-ATOM    348  OG1 THR G 185     -58.093   4.160  41.328  1.00  3.78           O  
-ATOM    349  CG2 THR G 185     -57.722   5.964  42.882  1.00  3.69           C  
-ATOM    350  N   VAL G 186     -54.924   4.035  44.445  1.00  3.64           N  
-ATOM    351  CA  VAL G 186     -54.144   4.346  45.643  1.00  3.59           C  
-ATOM    352  C   VAL G 186     -52.644   4.348  45.344  1.00  3.59           C  
-ATOM    353  O   VAL G 186     -51.897   5.143  45.915  1.00  3.57           O  
-ATOM    354  CB  VAL G 186     -54.443   3.353  46.785  1.00  3.58           C  
-ATOM    355  CG1 VAL G 186     -53.525   3.599  47.976  1.00  3.52           C  
-ATOM    356  CG2 VAL G 186     -55.901   3.462  47.207  1.00  3.58           C  
-ATOM    357  N   CYS G 187     -52.207   3.465  44.448  1.00  3.59           N  
-ATOM    358  CA  CYS G 187     -50.797   3.410  44.046  1.00  3.60           C  
-ATOM    359  C   CYS G 187     -50.344   4.710  43.373  1.00  3.61           C  
-ATOM    360  O   CYS G 187     -49.249   5.198  43.643  1.00  3.55           O  
-ATOM    361  CB  CYS G 187     -50.536   2.214  43.127  1.00  3.60           C  
-ATOM    362  SG  CYS G 187     -50.511   0.620  43.987  1.00  3.57           S  
-ATOM    363  N   ASP G 188     -51.191   5.261  42.504  1.00  3.64           N  
-ATOM    364  CA  ASP G 188     -50.931   6.569  41.884  1.00  3.65           C  
-ATOM    365  C   ASP G 188     -51.015   7.713  42.897  1.00  3.62           C  
-ATOM    366  O   ASP G 188     -50.332   8.727  42.753  1.00  3.60           O  
-ATOM    367  CB  ASP G 188     -51.912   6.830  40.732  1.00  3.66           C  
-ATOM    368  CG  ASP G 188     -51.611   5.992  39.498  1.00  3.74           C  
-ATOM    369  OD1 ASP G 188     -52.238   6.243  38.446  1.00  3.86           O  
-ATOM    370  OD2 ASP G 188     -50.752   5.087  39.573  1.00  3.83           O  
-ATOM    371  N   GLU G 189     -51.860   7.544  43.911  1.00  3.61           N  
-ATOM    372  CA  GLU G 189     -52.017   8.533  44.976  1.00  3.63           C  
-ATOM    373  C   GLU G 189     -50.787   8.564  45.883  1.00  3.64           C  
-ATOM    374  O   GLU G 189     -50.251   9.633  46.178  1.00  3.65           O  
-ATOM    375  CB  GLU G 189     -53.274   8.226  45.793  1.00  3.64           C  
-ATOM    376  CG  GLU G 189     -53.656   9.302  46.802  1.00  3.65           C  
-ATOM    377  CD  GLU G 189     -55.109   9.201  47.258  1.00  3.61           C  
-ATOM    378  OE1 GLU G 189     -55.734   8.134  47.060  1.00  3.18           O  
-ATOM    379  OE2 GLU G 189     -55.625  10.194  47.816  1.00  3.56           O  
-ATOM    380  N   LEU G 190     -50.340   7.384  46.307  1.00  3.65           N  
-ATOM    381  CA  LEU G 190     -49.155   7.250  47.162  1.00  3.66           C  
-ATOM    382  C   LEU G 190     -47.840   7.166  46.366  1.00  3.69           C  
-ATOM    383  O   LEU G 190     -46.765   7.019  46.953  1.00  3.67           O  
-ATOM    384  CB  LEU G 190     -49.296   6.021  48.068  1.00  3.63           C  
-ATOM    385  CG  LEU G 190     -50.573   5.933  48.913  1.00  3.62           C  
-ATOM    386  CD1 LEU G 190     -50.590   4.641  49.717  1.00  3.69           C  
-ATOM    387  CD2 LEU G 190     -50.721   7.136  49.831  1.00  3.51           C  
-ATOM    388  N   TYR G 191     -47.936   7.259  45.039  1.00  3.70           N  
-ATOM    389  CA  TYR G 191     -46.773   7.234  44.140  1.00  3.69           C  
-ATOM    390  C   TYR G 191     -45.988   5.920  44.225  1.00  3.69           C  
-ATOM    391  O   TYR G 191     -44.754   5.918  44.243  1.00  3.72           O  
-ATOM    392  CB  TYR G 191     -45.859   8.440  44.395  1.00  3.69           C  
-ATOM    393  CG  TYR G 191     -46.603   9.758  44.440  1.00  3.74           C  
-ATOM    394  CD1 TYR G 191     -46.818  10.419  45.648  1.00  3.77           C  
-ATOM    395  CD2 TYR G 191     -47.106  10.337  43.277  1.00  3.72           C  
-ATOM    396  CE1 TYR G 191     -47.504  11.627  45.696  1.00  3.72           C  
-ATOM    397  CE2 TYR G 191     -47.795  11.545  43.314  1.00  3.66           C  
-ATOM    398  CZ  TYR G 191     -47.990  12.184  44.527  1.00  3.70           C  
-ATOM    399  OH  TYR G 191     -48.671  13.379  44.574  1.00  3.69           O  
-ATOM    400  N   ILE G 192     -46.721   4.809  44.275  1.00  3.66           N  
-ATOM    401  CA  ILE G 192     -46.133   3.473  44.234  1.00  3.65           C  
-ATOM    402  C   ILE G 192     -46.071   3.013  42.780  1.00  3.64           C  
-ATOM    403  O   ILE G 192     -47.103   2.766  42.157  1.00  3.64           O  
-ATOM    404  CB  ILE G 192     -46.965   2.447  45.042  1.00  3.69           C  
-ATOM    405  CG1 ILE G 192     -47.212   2.937  46.469  1.00  3.72           C  
-ATOM    406  CG2 ILE G 192     -46.260   1.101  45.079  1.00  3.74           C  
-ATOM    407  CD1 ILE G 192     -45.953   3.164  47.257  1.00  4.00           C  
-ATOM    408  N   TYR G 193     -44.860   2.916  42.241  1.00  3.65           N  
-ATOM    409  CA  TYR G 193     -44.650   2.428  40.881  1.00  3.68           C  
-ATOM    410  C   TYR G 193     -43.945   1.080  40.940  1.00  3.69           C  
-ATOM    411  O   TYR G 193     -42.738   1.005  41.172  1.00  3.68           O  
-ATOM    412  CB  TYR G 193     -43.822   3.420  40.065  1.00  3.72           C  
-ATOM    413  CG  TYR G 193     -44.455   4.787  39.914  1.00  3.81           C  
-ATOM    414  CD1 TYR G 193     -45.463   5.012  38.977  1.00  3.89           C  
-ATOM    415  CD2 TYR G 193     -44.036   5.860  40.698  1.00  3.81           C  
-ATOM    416  CE1 TYR G 193     -46.041   6.272  38.830  1.00  3.90           C  
-ATOM    417  CE2 TYR G 193     -44.606   7.120  40.560  1.00  3.82           C  
-ATOM    418  CZ  TYR G 193     -45.606   7.320  39.626  1.00  3.87           C  
-ATOM    419  OH  TYR G 193     -46.168   8.568  39.490  1.00  3.87           O  
-ATOM    420  N   CYS G 194     -44.711   0.015  40.730  1.00  3.73           N  
-ATOM    421  CA  CYS G 194     -44.190  -1.340  40.833  1.00  3.76           C  
-ATOM    422  C   CYS G 194     -43.286  -1.680  39.654  1.00  3.70           C  
-ATOM    423  O   CYS G 194     -43.614  -1.387  38.506  1.00  3.68           O  
-ATOM    424  CB  CYS G 194     -45.344  -2.339  40.914  1.00  3.78           C  
-ATOM    425  SG  CYS G 194     -46.339  -2.148  42.404  1.00  4.05           S  
-ATOM    426  N   SER G 195     -42.146  -2.292  39.955  1.00  3.68           N  
-ATOM    427  CA  SER G 195     -41.218  -2.750  38.929  1.00  3.66           C  
-ATOM    428  C   SER G 195     -41.646  -4.121  38.400  1.00  3.66           C  
-ATOM    429  O   SER G 195     -42.635  -4.695  38.859  1.00  3.60           O  
-ATOM    430  CB  SER G 195     -39.792  -2.804  39.490  1.00  3.67           C  
-ATOM    431  OG  SER G 195     -39.735  -3.578  40.673  1.00  3.72           O  
-ATOM    432  N   ARG G 196     -40.901  -4.627  37.422  1.00  3.66           N  
-ATOM    433  CA  ARG G 196     -41.158  -5.934  36.827  1.00  3.65           C  
-ATOM    434  C   ARG G 196     -40.017  -6.896  37.131  1.00  3.66           C  
-ATOM    435  O   ARG G 196     -38.886  -6.472  37.378  1.00  3.69           O  
-ATOM    436  CB  ARG G 196     -41.313  -5.788  35.316  1.00  3.67           C  
-ATOM    437  CG  ARG G 196     -42.578  -5.055  34.898  1.00  3.89           C  
-ATOM    438  CD  ARG G 196     -43.764  -6.005  34.760  1.00  4.12           C  
-ATOM    439  NE  ARG G 196     -43.605  -6.907  33.618  1.00  4.30           N  
-ATOM    440  CZ  ARG G 196     -43.782  -6.564  32.341  1.00  4.45           C  
-ATOM    441  NH1 ARG G 196     -44.130  -5.323  32.006  1.00  4.40           N  
-ATOM    442  NH2 ARG G 196     -43.607  -7.473  31.384  1.00  4.58           N  
-ATOM    443  N   CYS G 197     -40.322  -8.190  37.112  1.00  3.65           N  
-ATOM    444  CA  CYS G 197     -39.309  -9.226  37.317  1.00  3.69           C  
-ATOM    445  C   CYS G 197     -38.391  -9.328  36.106  1.00  3.60           C  
-ATOM    446  O   CYS G 197     -38.811  -9.073  34.976  1.00  3.51           O  
-ATOM    447  CB  CYS G 197     -39.964 -10.593  37.563  1.00  3.73           C  
-ATOM    448  SG  CYS G 197     -40.755 -10.792  39.178  1.00  4.09           S  
-ATOM    449  N   THR G 198     -37.139  -9.707  36.345  1.00  3.58           N  
-ATOM    450  CA  THR G 198     -36.214 -10.009  35.256  1.00  3.59           C  
-ATOM    451  C   THR G 198     -36.567 -11.378  34.679  1.00  3.57           C  
-ATOM    452  O   THR G 198     -37.459 -12.061  35.183  1.00  3.59           O  
-ATOM    453  CB  THR G 198     -34.742 -10.006  35.725  1.00  3.60           C  
-ATOM    454  OG1 THR G 198     -34.538 -11.035  36.699  1.00  3.74           O  
-ATOM    455  CG2 THR G 198     -34.365  -8.656  36.325  1.00  3.43           C  
-ATOM    456  N   SER G 199     -35.877 -11.768  33.613  1.00  3.58           N  
-ATOM    457  CA  SER G 199     -36.069 -13.089  33.011  1.00  3.49           C  
-ATOM    458  C   SER G 199     -35.689 -14.197  33.996  1.00  3.44           C  
-ATOM    459  O   SER G 199     -36.368 -15.217  34.086  1.00  3.31           O  
-ATOM    460  CB  SER G 199     -35.238 -13.215  31.732  1.00  3.50           C  
-ATOM    461  OG  SER G 199     -35.464 -14.456  31.093  1.00  3.47           O  
-ATOM    462  N   ASP G 200     -34.605 -13.980  34.739  1.00  3.45           N  
-ATOM    463  CA  ASP G 200     -34.148 -14.934  35.748  1.00  3.47           C  
-ATOM    464  C   ASP G 200     -35.147 -15.040  36.902  1.00  3.50           C  
-ATOM    465  O   ASP G 200     -35.542 -16.139  37.295  1.00  3.46           O  
-ATOM    466  CB  ASP G 200     -32.779 -14.518  36.298  1.00  3.46           C  
-ATOM    467  CG  ASP G 200     -31.686 -14.525  35.237  1.00  3.58           C  
-ATOM    468  OD1 ASP G 200     -30.719 -13.745  35.381  1.00  3.76           O  
-ATOM    469  OD2 ASP G 200     -31.787 -15.302  34.264  1.00  3.60           O  
-ATOM    470  N   GLN G 201     -35.555 -13.888  37.428  1.00  3.44           N  
-ATOM    471  CA  GLN G 201     -36.446 -13.825  38.586  1.00  3.41           C  
-ATOM    472  C   GLN G 201     -37.780 -14.531  38.354  1.00  3.36           C  
-ATOM    473  O   GLN G 201     -38.224 -15.310  39.195  1.00  3.36           O  
-ATOM    474  CB  GLN G 201     -36.690 -12.369  38.986  1.00  3.39           C  
-ATOM    475  CG  GLN G 201     -35.503 -11.723  39.684  1.00  3.48           C  
-ATOM    476  CD  GLN G 201     -35.666 -10.226  39.890  1.00  3.36           C  
-ATOM    477  OE1 GLN G 201     -36.513  -9.583  39.266  1.00  3.11           O  
-ATOM    478  NE2 GLN G 201     -34.847  -9.664  40.768  1.00  3.10           N  
-ATOM    479  N   LEU G 202     -38.412 -14.254  37.218  1.00  3.33           N  
-ATOM    480  CA  LEU G 202     -39.684 -14.886  36.863  1.00  3.26           C  
-ATOM    481  C   LEU G 202     -39.559 -16.405  36.856  1.00  3.27           C  
-ATOM    482  O   LEU G 202     -40.406 -17.114  37.411  1.00  3.20           O  
-ATOM    483  CB  LEU G 202     -40.162 -14.404  35.489  1.00  3.29           C  
-ATOM    484  CG  LEU G 202     -41.494 -14.965  34.973  1.00  3.04           C  
-ATOM    485  CD1 LEU G 202     -42.607 -14.705  35.968  1.00  2.84           C  
-ATOM    486  CD2 LEU G 202     -41.839 -14.367  33.620  1.00  2.65           C  
-ATOM    487  N   HIS G 203     -38.496 -16.895  36.227  1.00  3.27           N  
-ATOM    488  CA  HIS G 203     -38.253 -18.331  36.141  1.00  3.31           C  
-ATOM    489  C   HIS G 203     -37.994 -18.952  37.518  1.00  3.40           C  
-ATOM    490  O   HIS G 203     -38.398 -20.091  37.772  1.00  3.34           O  
-ATOM    491  CB  HIS G 203     -37.089 -18.634  35.197  1.00  3.27           C  
-ATOM    492  CG  HIS G 203     -37.045 -20.058  34.744  1.00  3.04           C  
-ATOM    493  ND1 HIS G 203     -36.208 -20.993  35.311  1.00  2.91           N  
-ATOM    494  CD2 HIS G 203     -37.753 -20.711  33.794  1.00  2.94           C  
-ATOM    495  CE1 HIS G 203     -36.394 -22.160  34.722  1.00  2.84           C  
-ATOM    496  NE2 HIS G 203     -37.327 -22.016  33.799  1.00  2.93           N  
-ATOM    497  N   ILE G 204     -37.330 -18.203  38.400  1.00  3.41           N  
-ATOM    498  CA  ILE G 204     -37.091 -18.658  39.772  1.00  3.43           C  
-ATOM    499  C   ILE G 204     -38.400 -18.816  40.546  1.00  3.36           C  
-ATOM    500  O   ILE G 204     -38.556 -19.767  41.304  1.00  3.35           O  
-ATOM    501  CB  ILE G 204     -36.135 -17.715  40.543  1.00  3.44           C  
-ATOM    502  CG1 ILE G 204     -34.724 -17.825  39.979  1.00  3.48           C  
-ATOM    503  CG2 ILE G 204     -36.090 -18.078  42.023  1.00  3.31           C  
-ATOM    504  CD1 ILE G 204     -33.815 -16.715  40.422  1.00  3.99           C  
-ATOM    505  N   LEU G 205     -39.335 -17.891  40.347  1.00  3.40           N  
-ATOM    506  CA  LEU G 205     -40.647 -17.970  40.999  1.00  3.45           C  
-ATOM    507  C   LEU G 205     -41.472 -19.155  40.493  1.00  3.48           C  
-ATOM    508  O   LEU G 205     -42.346 -19.654  41.202  1.00  3.51           O  
-ATOM    509  CB  LEU G 205     -41.432 -16.666  40.809  1.00  3.47           C  
-ATOM    510  CG  LEU G 205     -41.001 -15.482  41.678  1.00  3.51           C  
-ATOM    511  CD1 LEU G 205     -41.639 -14.191  41.193  1.00  3.69           C  
-ATOM    512  CD2 LEU G 205     -41.346 -15.731  43.139  1.00  3.35           C  
-ATOM    513  N   LYS G 206     -41.196 -19.596  39.268  1.00  3.48           N  
-ATOM    514  CA  LYS G 206     -41.835 -20.786  38.708  1.00  3.45           C  
-ATOM    515  C   LYS G 206     -41.161 -22.056  39.225  1.00  3.51           C  
-ATOM    516  O   LYS G 206     -41.828 -22.959  39.725  1.00  3.52           O  
-ATOM    517  CB  LYS G 206     -41.787 -20.752  37.176  1.00  3.45           C  
-ATOM    518  CG  LYS G 206     -42.629 -19.644  36.543  1.00  3.26           C  
-ATOM    519  CD  LYS G 206     -42.278 -19.438  35.072  1.00  3.06           C  
-ATOM    520  CE  LYS G 206     -43.232 -18.460  34.399  1.00  2.82           C  
-ATOM    521  NZ  LYS G 206     -42.970 -18.319  32.940  1.00  2.33           N  
-ATOM    522  N   VAL G 207     -39.836 -22.114  39.112  1.00  3.62           N  
-ATOM    523  CA  VAL G 207     -39.066 -23.297  39.525  1.00  3.67           C  
-ATOM    524  C   VAL G 207     -39.256 -23.621  41.014  1.00  3.68           C  
-ATOM    525  O   VAL G 207     -39.352 -24.793  41.388  1.00  3.63           O  
-ATOM    526  CB  VAL G 207     -37.551 -23.144  39.196  1.00  3.66           C  
-ATOM    527  CG1 VAL G 207     -36.911 -22.076  40.060  1.00  3.91           C  
-ATOM    528  CG2 VAL G 207     -36.823 -24.465  39.375  1.00  3.68           C  
-ATOM    529  N   LEU G 208     -39.331 -22.578  41.845  1.00  3.64           N  
-ATOM    530  CA  LEU G 208     -39.587 -22.726  43.287  1.00  3.61           C  
-ATOM    531  C   LEU G 208     -41.090 -22.730  43.622  1.00  3.57           C  
-ATOM    532  O   LEU G 208     -41.479 -22.587  44.783  1.00  3.52           O  
-ATOM    533  CB  LEU G 208     -38.843 -21.642  44.086  1.00  3.59           C  
-ATOM    534  CG  LEU G 208     -37.396 -21.954  44.504  1.00  3.62           C  
-ATOM    535  CD1 LEU G 208     -36.655 -22.799  43.476  1.00  3.69           C  
-ATOM    536  CD2 LEU G 208     -36.626 -20.667  44.787  1.00  3.21           C  
-ATOM    537  N   GLY G 209     -41.925 -22.889  42.596  1.00  3.58           N  
-ATOM    538  CA  GLY G 209     -43.341 -23.228  42.768  1.00  3.54           C  
-ATOM    539  C   GLY G 209     -44.291 -22.125  43.201  1.00  3.51           C  
-ATOM    540  O   GLY G 209     -45.418 -22.410  43.590  1.00  3.50           O  
-ATOM    541  N   ILE G 210     -43.858 -20.871  43.130  1.00  3.56           N  
-ATOM    542  CA  ILE G 210     -44.703 -19.754  43.555  1.00  3.57           C  
-ATOM    543  C   ILE G 210     -45.678 -19.363  42.451  1.00  3.61           C  
-ATOM    544  O   ILE G 210     -46.877 -19.234  42.693  1.00  3.65           O  
-ATOM    545  CB  ILE G 210     -43.870 -18.516  43.957  1.00  3.58           C  
-ATOM    546  CG1 ILE G 210     -42.837 -18.879  45.031  1.00  3.50           C  
-ATOM    547  CG2 ILE G 210     -44.782 -17.406  44.463  1.00  3.54           C  
-ATOM    548  CD1 ILE G 210     -43.427 -19.506  46.279  1.00  3.49           C  
-ATOM    549  N   LEU G 211     -45.155 -19.173  41.242  1.00  3.69           N  
-ATOM    550  CA  LEU G 211     -45.965 -18.776  40.092  1.00  3.70           C  
-ATOM    551  C   LEU G 211     -46.207 -19.959  39.159  1.00  3.77           C  
-ATOM    552  O   LEU G 211     -45.399 -20.888  39.111  1.00  3.88           O  
-ATOM    553  CB  LEU G 211     -45.272 -17.651  39.315  1.00  3.70           C  
-ATOM    554  CG  LEU G 211     -45.149 -16.298  40.018  1.00  3.59           C  
-ATOM    555  CD1 LEU G 211     -44.358 -15.329  39.154  1.00  3.65           C  
-ATOM    556  CD2 LEU G 211     -46.518 -15.723  40.340  1.00  3.52           C  
-ATOM    557  N   PRO G 212     -47.327 -19.934  38.417  1.00  3.79           N  
-ATOM    558  CA  PRO G 212     -47.555 -20.955  37.399  1.00  3.78           C  
-ATOM    559  C   PRO G 212     -46.601 -20.768  36.220  1.00  3.79           C  
-ATOM    560  O   PRO G 212     -46.230 -19.640  35.898  1.00  3.81           O  
-ATOM    561  CB  PRO G 212     -49.007 -20.717  36.980  1.00  3.74           C  
-ATOM    562  CG  PRO G 212     -49.266 -19.297  37.286  1.00  3.75           C  
-ATOM    563  CD  PRO G 212     -48.430 -18.958  38.479  1.00  3.78           C  
-ATOM    564  N   PHE G 213     -46.216 -21.867  35.581  1.00  3.82           N  
-ATOM    565  CA  PHE G 213     -45.209 -21.822  34.515  1.00  3.79           C  
-ATOM    566  C   PHE G 213     -45.651 -21.066  33.252  1.00  3.77           C  
-ATOM    567  O   PHE G 213     -44.804 -20.653  32.460  1.00  3.80           O  
-ATOM    568  CB  PHE G 213     -44.727 -23.235  34.157  1.00  3.83           C  
-ATOM    569  CG  PHE G 213     -43.504 -23.665  34.922  1.00  3.69           C  
-ATOM    570  CD1 PHE G 213     -43.605 -24.082  36.242  1.00  3.54           C  
-ATOM    571  CD2 PHE G 213     -42.249 -23.643  34.322  1.00  3.56           C  
-ATOM    572  CE1 PHE G 213     -42.480 -24.478  36.953  1.00  3.57           C  
-ATOM    573  CE2 PHE G 213     -41.117 -24.038  35.025  1.00  3.70           C  
-ATOM    574  CZ  PHE G 213     -41.233 -24.455  36.344  1.00  3.64           C  
-ATOM    575  N   ASN G 214     -46.956 -20.888  33.059  1.00  3.79           N  
-ATOM    576  CA  ASN G 214     -47.460 -20.092  31.931  1.00  3.77           C  
-ATOM    577  C   ASN G 214     -47.243 -18.589  32.119  1.00  3.74           C  
-ATOM    578  O   ASN G 214     -47.152 -17.852  31.137  1.00  3.74           O  
-ATOM    579  CB  ASN G 214     -48.948 -20.364  31.679  1.00  3.75           C  
-ATOM    580  CG  ASN G 214     -49.203 -21.721  31.031  1.00  3.86           C  
-ATOM    581  OD1 ASN G 214     -48.276 -22.399  30.583  1.00  4.21           O  
-ATOM    582  ND2 ASN G 214     -50.471 -22.117  30.974  1.00  3.37           N  
-ATOM    583  N   ALA G 215     -47.161 -18.147  33.374  1.00  3.69           N  
-ATOM    584  CA  ALA G 215     -47.052 -16.721  33.707  1.00  3.66           C  
-ATOM    585  C   ALA G 215     -46.040 -15.989  32.820  1.00  3.67           C  
-ATOM    586  O   ALA G 215     -44.836 -16.239  32.918  1.00  3.60           O  
-ATOM    587  CB  ALA G 215     -46.679 -16.550  35.171  1.00  3.66           C  
-ATOM    588  N   PRO G 216     -46.525 -15.081  31.955  1.00  3.66           N  
-ATOM    589  CA  PRO G 216     -45.641 -14.386  31.017  1.00  3.71           C  
-ATOM    590  C   PRO G 216     -44.745 -13.349  31.689  1.00  3.71           C  
-ATOM    591  O   PRO G 216     -43.653 -13.064  31.197  1.00  3.74           O  
-ATOM    592  CB  PRO G 216     -46.623 -13.701  30.063  1.00  3.73           C  
-ATOM    593  CG  PRO G 216     -47.834 -13.463  30.884  1.00  3.65           C  
-ATOM    594  CD  PRO G 216     -47.916 -14.601  31.856  1.00  3.59           C  
-ATOM    595  N   SER G 217     -45.217 -12.789  32.797  1.00  3.77           N  
-ATOM    596  CA  SER G 217     -44.471 -11.787  33.544  1.00  3.80           C  
-ATOM    597  C   SER G 217     -44.945 -11.740  34.989  1.00  3.83           C  
-ATOM    598  O   SER G 217     -45.934 -12.378  35.349  1.00  3.85           O  
-ATOM    599  CB  SER G 217     -44.658 -10.414  32.906  1.00  3.81           C  
-ATOM    600  OG  SER G 217     -46.013 -10.006  32.979  1.00  3.91           O  
-ATOM    601  N   CYS G 218     -44.236 -10.972  35.809  1.00  3.90           N  
-ATOM    602  CA  CYS G 218     -44.584 -10.813  37.216  1.00  3.99           C  
-ATOM    603  C   CYS G 218     -44.068  -9.482  37.743  1.00  3.89           C  
-ATOM    604  O   CYS G 218     -42.935  -9.100  37.461  1.00  4.03           O  
-ATOM    605  CB  CYS G 218     -43.996 -11.957  38.036  1.00  4.05           C  
-ATOM    606  SG  CYS G 218     -44.427 -11.907  39.788  1.00  4.77           S  
-ATOM    607  N   GLY G 219     -44.906  -8.784  38.503  1.00  3.81           N  
-ATOM    608  CA  GLY G 219     -44.547  -7.487  39.068  1.00  3.79           C  
-ATOM    609  C   GLY G 219     -43.962  -7.612  40.462  1.00  3.76           C  
-ATOM    610  O   GLY G 219     -44.152  -8.627  41.136  1.00  3.86           O  
-ATOM    611  N   LEU G 220     -43.249  -6.574  40.890  1.00  3.65           N  
-ATOM    612  CA  LEU G 220     -42.678  -6.524  42.233  1.00  3.62           C  
-ATOM    613  C   LEU G 220     -42.970  -5.189  42.910  1.00  3.60           C  
-ATOM    614  O   LEU G 220     -42.977  -4.142  42.264  1.00  3.58           O  
-ATOM    615  CB  LEU G 220     -41.166  -6.747  42.189  1.00  3.63           C  
-ATOM    616  CG  LEU G 220     -40.677  -8.095  41.656  1.00  3.61           C  
-ATOM    617  CD1 LEU G 220     -39.153  -8.072  41.501  1.00  3.15           C  
-ATOM    618  CD2 LEU G 220     -41.121  -9.240  42.556  1.00  3.08           C  
-ATOM    619  N   ILE G 221     -43.208  -5.248  44.218  1.00  3.56           N  
-ATOM    620  CA  ILE G 221     -43.428  -4.062  45.043  1.00  3.49           C  
-ATOM    621  C   ILE G 221     -42.538  -4.184  46.275  1.00  3.46           C  
-ATOM    622  O   ILE G 221     -42.408  -5.267  46.844  1.00  3.36           O  
-ATOM    623  CB  ILE G 221     -44.920  -3.925  45.448  1.00  3.54           C  
-ATOM    624  CG1 ILE G 221     -45.170  -2.603  46.176  1.00  3.59           C  
-ATOM    625  CG2 ILE G 221     -45.379  -5.110  46.309  1.00  3.52           C  
-ATOM    626  CD1 ILE G 221     -46.629  -2.372  46.519  1.00  3.64           C  
-ATOM    627  N   THR G 222     -41.905  -3.083  46.673  1.00  3.49           N  
-ATOM    628  CA  THR G 222     -41.010  -3.109  47.828  1.00  3.44           C  
-ATOM    629  C   THR G 222     -41.813  -3.314  49.110  1.00  3.43           C  
-ATOM    630  O   THR G 222     -42.941  -2.840  49.222  1.00  3.34           O  
-ATOM    631  CB  THR G 222     -40.159  -1.827  47.944  1.00  3.42           C  
-ATOM    632  OG1 THR G 222     -41.005  -0.674  47.903  1.00  3.37           O  
-ATOM    633  CG2 THR G 222     -39.142  -1.750  46.811  1.00  3.51           C  
-ATOM    634  N   LEU G 223     -41.225  -4.038  50.060  1.00  3.47           N  
-ATOM    635  CA  LEU G 223     -41.838  -4.289  51.369  1.00  3.52           C  
-ATOM    636  C   LEU G 223     -42.307  -2.992  52.016  1.00  3.52           C  
-ATOM    637  O   LEU G 223     -43.367  -2.949  52.637  1.00  3.62           O  
-ATOM    638  CB  LEU G 223     -40.839  -5.000  52.292  1.00  3.55           C  
-ATOM    639  CG  LEU G 223     -41.268  -5.338  53.726  1.00  3.59           C  
-ATOM    640  CD1 LEU G 223     -40.535  -6.571  54.227  1.00  3.74           C  
-ATOM    641  CD2 LEU G 223     -41.025  -4.172  54.665  1.00  3.55           C  
-ATOM    642  N   THR G 224     -41.505  -1.942  51.862  1.00  3.50           N  
-ATOM    643  CA  THR G 224     -41.812  -0.630  52.428  1.00  3.51           C  
-ATOM    644  C   THR G 224     -43.029   0.017  51.750  1.00  3.52           C  
-ATOM    645  O   THR G 224     -43.928   0.516  52.431  1.00  3.51           O  
-ATOM    646  CB  THR G 224     -40.572   0.317  52.390  1.00  3.47           C  
-ATOM    647  OG1 THR G 224     -40.946   1.622  52.842  1.00  3.51           O  
-ATOM    648  CG2 THR G 224     -39.977   0.422  50.987  1.00  3.43           C  
-ATOM    649  N   ASP G 225     -43.063  -0.009  50.419  1.00  3.52           N  
-ATOM    650  CA  ASP G 225     -44.199   0.535  49.662  1.00  3.56           C  
-ATOM    651  C   ASP G 225     -45.448  -0.347  49.787  1.00  3.60           C  
-ATOM    652  O   ASP G 225     -46.577   0.151  49.755  1.00  3.58           O  
-ATOM    653  CB  ASP G 225     -43.833   0.703  48.181  1.00  3.57           C  
-ATOM    654  CG  ASP G 225     -42.929   1.904  47.925  1.00  3.64           C  
-ATOM    655  OD1 ASP G 225     -42.487   2.556  48.895  1.00  4.08           O  
-ATOM    656  OD2 ASP G 225     -42.665   2.201  46.740  1.00  3.57           O  
-ATOM    657  N   ALA G 226     -45.234  -1.654  49.918  1.00  3.54           N  
-ATOM    658  CA  ALA G 226     -46.321  -2.609  50.107  1.00  3.53           C  
-ATOM    659  C   ALA G 226     -47.069  -2.353  51.413  1.00  3.50           C  
-ATOM    660  O   ALA G 226     -48.292  -2.459  51.464  1.00  3.46           O  
-ATOM    661  CB  ALA G 226     -45.780  -4.032  50.078  1.00  3.54           C  
-ATOM    662  N   GLN G 227     -46.326  -2.018  52.464  1.00  3.54           N  
-ATOM    663  CA  GLN G 227     -46.921  -1.725  53.770  1.00  3.53           C  
-ATOM    664  C   GLN G 227     -47.694  -0.398  53.772  1.00  3.58           C  
-ATOM    665  O   GLN G 227     -48.717  -0.283  54.451  1.00  3.52           O  
-ATOM    666  CB  GLN G 227     -45.853  -1.746  54.870  1.00  3.47           C  
-ATOM    667  CG  GLN G 227     -45.402  -3.160  55.260  1.00  3.35           C  
-ATOM    668  CD  GLN G 227     -44.137  -3.184  56.119  1.00  3.33           C  
-ATOM    669  OE1 GLN G 227     -43.513  -2.150  56.366  1.00  3.02           O  
-ATOM    670  NE2 GLN G 227     -43.756  -4.374  56.574  1.00  3.15           N  
-ATOM    671  N   ARG G 228     -47.216   0.590  53.013  1.00  3.61           N  
-ATOM    672  CA  ARG G 228     -47.945   1.857  52.848  1.00  3.63           C  
-ATOM    673  C   ARG G 228     -49.280   1.635  52.148  1.00  3.63           C  
-ATOM    674  O   ARG G 228     -50.291   2.225  52.527  1.00  3.63           O  
-ATOM    675  CB  ARG G 228     -47.135   2.880  52.044  1.00  3.65           C  
-ATOM    676  CG  ARG G 228     -45.936   3.478  52.774  1.00  3.80           C  
-ATOM    677  CD  ARG G 228     -45.821   4.999  52.564  1.00  3.88           C  
-ATOM    678  NE  ARG G 228     -46.061   5.421  51.181  1.00  3.74           N  
-ATOM    679  CZ  ARG G 228     -45.192   5.296  50.178  1.00  3.69           C  
-ATOM    680  NH1 ARG G 228     -43.995   4.746  50.373  1.00  3.91           N  
-ATOM    681  NH2 ARG G 228     -45.523   5.719  48.964  1.00  3.47           N  
-ATOM    682  N   LEU G 229     -49.271   0.793  51.119  1.00  3.66           N  
-ATOM    683  CA  LEU G 229     -50.484   0.476  50.366  1.00  3.65           C  
-ATOM    684  C   LEU G 229     -51.506  -0.248  51.234  1.00  3.65           C  
-ATOM    685  O   LEU G 229     -52.700   0.046  51.166  1.00  3.66           O  
-ATOM    686  CB  LEU G 229     -50.151  -0.375  49.135  1.00  3.65           C  
-ATOM    687  CG  LEU G 229     -51.326  -0.794  48.245  1.00  3.56           C  
-ATOM    688  CD1 LEU G 229     -52.222   0.392  47.922  1.00  3.47           C  
-ATOM    689  CD2 LEU G 229     -50.815  -1.443  46.969  1.00  3.44           C  
-ATOM    690  N   CYS G 230     -51.034  -1.195  52.042  1.00  3.65           N  
-ATOM    691  CA  CYS G 230     -51.908  -1.937  52.949  1.00  3.70           C  
-ATOM    692  C   CYS G 230     -52.493  -1.025  54.020  1.00  3.71           C  
-ATOM    693  O   CYS G 230     -53.680  -1.116  54.326  1.00  3.74           O  
-ATOM    694  CB  CYS G 230     -51.163  -3.104  53.602  1.00  3.71           C  
-ATOM    695  SG  CYS G 230     -50.815  -4.475  52.478  1.00  3.76           S  
-ATOM    696  N   ASN G 231     -51.659  -0.148  54.579  1.00  3.72           N  
-ATOM    697  CA  ASN G 231     -52.114   0.842  55.560  1.00  3.74           C  
-ATOM    698  C   ASN G 231     -53.276   1.680  55.022  1.00  3.73           C  
-ATOM    699  O   ASN G 231     -54.322   1.799  55.663  1.00  3.64           O  
-ATOM    700  CB  ASN G 231     -50.971   1.783  55.959  1.00  3.79           C  
-ATOM    701  CG  ASN G 231     -49.900   1.103  56.802  1.00  3.89           C  
-ATOM    702  OD1 ASN G 231     -50.144   0.096  57.465  1.00  4.39           O  
-ATOM    703  ND2 ASN G 231     -48.701   1.665  56.780  1.00  3.88           N  
-ATOM    704  N   ALA G 232     -53.078   2.250  53.838  1.00  3.73           N  
-ATOM    705  CA  ALA G 232     -54.082   3.106  53.204  1.00  3.72           C  
-ATOM    706  C   ALA G 232     -55.388   2.362  52.908  1.00  3.72           C  
-ATOM    707  O   ALA G 232     -56.475   2.885  53.161  1.00  3.74           O  
-ATOM    708  CB  ALA G 232     -53.521   3.712  51.924  1.00  3.72           C  
-ATOM    709  N   LEU G 233     -55.276   1.142  52.386  1.00  3.68           N  
-ATOM    710  CA  LEU G 233     -56.451   0.368  51.963  1.00  3.64           C  
-ATOM    711  C   LEU G 233     -57.207  -0.327  53.101  1.00  3.63           C  
-ATOM    712  O   LEU G 233     -58.426  -0.493  53.014  1.00  3.65           O  
-ATOM    713  CB  LEU G 233     -56.054  -0.671  50.907  1.00  3.61           C  
-ATOM    714  CG  LEU G 233     -55.746  -0.121  49.513  1.00  3.54           C  
-ATOM    715  CD1 LEU G 233     -55.120  -1.199  48.643  1.00  3.55           C  
-ATOM    716  CD2 LEU G 233     -57.006   0.431  48.860  1.00  3.53           C  
-ATOM    717  N   LEU G 234     -56.496  -0.737  54.152  1.00  3.60           N  
-ATOM    718  CA  LEU G 234     -57.095  -1.530  55.236  1.00  3.59           C  
-ATOM    719  C   LEU G 234     -57.513  -0.705  56.454  1.00  3.60           C  
-ATOM    720  O   LEU G 234     -58.549  -0.981  57.061  1.00  3.57           O  
-ATOM    721  CB  LEU G 234     -56.141  -2.646  55.671  1.00  3.60           C  
-ATOM    722  CG  LEU G 234     -55.883  -3.748  54.638  1.00  3.63           C  
-ATOM    723  CD1 LEU G 234     -54.639  -4.551  54.995  1.00  3.56           C  
-ATOM    724  CD2 LEU G 234     -57.097  -4.661  54.512  1.00  3.57           C  
-ATOM    725  N   ARG G 235     -56.713   0.297  56.816  1.00  3.67           N  
-ATOM    726  CA  ARG G 235     -57.006   1.124  57.992  1.00  3.71           C  
-ATOM    727  C   ARG G 235     -57.898   2.305  57.614  1.00  3.69           C  
-ATOM    728  O   ARG G 235     -58.854   2.172  56.849  1.00  3.53           O  
-ATOM    729  CB  ARG G 235     -55.726   1.645  58.649  1.00  3.71           C  
-ATOM    730  CG  ARG G 235     -54.572   0.643  58.766  1.00  4.04           C  
-ATOM    731  CD  ARG G 235     -54.974  -0.703  59.360  1.00  4.11           C  
-ATOM    732  NE  ARG G 235     -53.799  -1.477  59.783  1.00  4.16           N  
-ATOM    733  CZ  ARG G 235     -52.943  -2.093  58.962  1.00  4.07           C  
-ATOM    734  NH1 ARG G 235     -51.914  -2.765  59.466  1.00  3.95           N  
-ATOM    735  NH2 ARG G 235     -53.098  -2.045  57.643  1.00  4.07           N  

Deleted: SwiftApps/modFTDock/input/3eq5-8.pdb
===================================================================
--- SwiftApps/modFTDock/input/3eq5-8.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/3eq5-8.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,754 +0,0 @@
-ATOM      1  N   THR H 142     -23.990 -54.175  49.639  1.00  3.88           N  
-ATOM      2  CA  THR H 142     -23.413 -54.533  50.969  1.00  3.88           C  
-ATOM      3  C   THR H 142     -22.377 -53.516  51.466  1.00  3.83           C  
-ATOM      4  O   THR H 142     -21.859 -53.655  52.575  1.00  3.84           O  
-ATOM      5  CB  THR H 142     -22.761 -55.941  50.936  1.00  3.92           C  
-ATOM      6  OG1 THR H 142     -21.856 -56.030  49.828  1.00  4.08           O  
-ATOM      7  CG2 THR H 142     -23.824 -57.029  50.809  1.00  3.90           C  
-ATOM      8  N   GLU H 143     -22.082 -52.497  50.659  1.00  3.75           N  
-ATOM      9  CA  GLU H 143     -21.072 -51.500  51.023  1.00  3.70           C  
-ATOM     10  C   GLU H 143     -21.386 -50.099  50.512  1.00  3.68           C  
-ATOM     11  O   GLU H 143     -22.080 -49.917  49.508  1.00  3.63           O  
-ATOM     12  CB  GLU H 143     -19.677 -51.926  50.534  1.00  3.70           C  
-ATOM     13  CG  GLU H 143     -18.853 -52.709  51.557  1.00  3.59           C  
-ATOM     14  CD  GLU H 143     -18.544 -51.915  52.821  1.00  3.52           C  
-ATOM     15  OE1 GLU H 143     -18.195 -52.546  53.840  1.00  3.57           O  
-ATOM     16  OE2 GLU H 143     -18.651 -50.668  52.804  1.00  3.26           O  
-ATOM     17  N   LEU H 144     -20.830 -49.123  51.226  1.00  3.67           N  
-ATOM     18  CA  LEU H 144     -21.059 -47.704  50.985  1.00  3.64           C  
-ATOM     19  C   LEU H 144     -19.823 -47.080  50.352  1.00  3.66           C  
-ATOM     20  O   LEU H 144     -18.727 -47.163  50.903  1.00  3.72           O  
-ATOM     21  CB  LEU H 144     -21.374 -47.007  52.313  1.00  3.61           C  
-ATOM     22  CG  LEU H 144     -21.378 -45.478  52.364  1.00  3.48           C  
-ATOM     23  CD1 LEU H 144     -22.195 -44.878  51.234  1.00  3.65           C  
-ATOM     24  CD2 LEU H 144     -21.913 -45.028  53.708  1.00  3.61           C  
-ATOM     25  N   THR H 145     -20.013 -46.452  49.198  1.00  3.71           N  
-ATOM     26  CA  THR H 145     -18.933 -45.790  48.469  1.00  3.75           C  
-ATOM     27  C   THR H 145     -19.097 -44.268  48.567  1.00  3.73           C  
-ATOM     28  O   THR H 145     -19.930 -43.777  49.330  1.00  3.74           O  
-ATOM     29  CB  THR H 145     -18.913 -46.255  46.989  1.00  3.81           C  
-ATOM     30  OG1 THR H 145     -20.258 -46.429  46.521  1.00  3.77           O  
-ATOM     31  CG2 THR H 145     -18.160 -47.578  46.853  1.00  3.73           C  
-ATOM     32  N   GLN H 146     -18.286 -43.524  47.821  1.00  3.73           N  
-ATOM     33  CA  GLN H 146     -18.406 -42.068  47.775  1.00  3.77           C  
-ATOM     34  C   GLN H 146     -18.448 -41.551  46.335  1.00  3.84           C  
-ATOM     35  O   GLN H 146     -18.167 -42.285  45.385  1.00  3.89           O  
-ATOM     36  CB  GLN H 146     -17.262 -41.407  48.552  1.00  3.75           C  
-ATOM     37  CG  GLN H 146     -15.862 -41.810  48.102  1.00  3.60           C  
-ATOM     38  CD  GLN H 146     -14.787 -40.960  48.748  1.00  3.39           C  
-ATOM     39  OE1 GLN H 146     -14.620 -40.972  49.967  1.00  3.29           O  
-ATOM     40  NE2 GLN H 146     -14.053 -40.213  47.933  1.00  3.24           N  
-ATOM     41  N   THR H 147     -18.827 -40.284  46.191  1.00  3.88           N  
-ATOM     42  CA  THR H 147     -18.852 -39.613  44.890  1.00  3.88           C  
-ATOM     43  C   THR H 147     -18.861 -38.102  45.093  1.00  3.83           C  
-ATOM     44  O   THR H 147     -19.003 -37.628  46.219  1.00  3.94           O  
-ATOM     45  CB  THR H 147     -20.077 -40.031  44.047  1.00  3.89           C  
-ATOM     46  OG1 THR H 147     -19.883 -39.622  42.689  1.00  3.94           O  
-ATOM     47  CG2 THR H 147     -21.365 -39.407  44.589  1.00  3.99           C  
-ATOM     48  N   VAL H 148     -18.721 -37.356  44.002  1.00  3.77           N  
-ATOM     49  CA  VAL H 148     -18.592 -35.900  44.075  1.00  3.72           C  
-ATOM     50  C   VAL H 148     -19.767 -35.190  43.409  1.00  3.68           C  
-ATOM     51  O   VAL H 148     -20.186 -35.564  42.315  1.00  3.86           O  
-ATOM     52  CB  VAL H 148     -17.279 -35.429  43.417  1.00  3.74           C  
-ATOM     53  CG1 VAL H 148     -17.057 -33.939  43.665  1.00  3.38           C  
-ATOM     54  CG2 VAL H 148     -16.108 -36.244  43.949  1.00  3.71           C  
-ATOM     55  N   LEU H 149     -20.284 -34.165  44.084  1.00  3.60           N  
-ATOM     56  CA  LEU H 149     -21.379 -33.342  43.573  1.00  3.60           C  
-ATOM     57  C   LEU H 149     -21.129 -31.887  43.957  1.00  3.67           C  
-ATOM     58  O   LEU H 149     -21.114 -31.550  45.141  1.00  3.70           O  
-ATOM     59  CB  LEU H 149     -22.715 -33.808  44.156  1.00  3.60           C  
-ATOM     60  CG  LEU H 149     -23.970 -33.048  43.713  1.00  3.52           C  
-ATOM     61  CD1 LEU H 149     -24.306 -33.376  42.263  1.00  3.16           C  
-ATOM     62  CD2 LEU H 149     -25.147 -33.368  44.625  1.00  3.23           C  
-ATOM     63  N   GLU H 150     -20.949 -31.036  42.950  1.00  3.76           N  
-ATOM     64  CA  GLU H 150     -20.552 -29.633  43.145  1.00  3.84           C  
-ATOM     65  C   GLU H 150     -19.251 -29.515  43.957  1.00  3.82           C  
-ATOM     66  O   GLU H 150     -19.157 -28.742  44.915  1.00  3.66           O  
-ATOM     67  CB  GLU H 150     -21.690 -28.823  43.777  1.00  3.87           C  
-ATOM     68  CG  GLU H 150     -22.976 -28.828  42.955  1.00  4.02           C  
-ATOM     69  CD  GLU H 150     -22.808 -28.205  41.577  1.00  4.57           C  
-ATOM     70  OE1 GLU H 150     -22.057 -27.209  41.443  1.00  4.66           O  
-ATOM     71  OE2 GLU H 150     -23.436 -28.713  40.622  1.00  5.06           O  
-ATOM     72  N   GLY H 151     -18.257 -30.305  43.550  1.00  3.87           N  
-ATOM     73  CA  GLY H 151     -16.940 -30.331  44.190  1.00  3.88           C  
-ATOM     74  C   GLY H 151     -16.939 -30.846  45.617  1.00  3.93           C  
-ATOM     75  O   GLY H 151     -15.926 -30.740  46.320  1.00  3.85           O  
-ATOM     76  N   GLU H 152     -18.063 -31.423  46.035  1.00  3.87           N  
-ATOM     77  CA  GLU H 152     -18.287 -31.774  47.431  1.00  3.94           C  
-ATOM     78  C   GLU H 152     -18.625 -33.254  47.559  1.00  3.83           C  
-ATOM     79  O   GLU H 152     -19.418 -33.790  46.786  1.00  3.74           O  
-ATOM     80  CB  GLU H 152     -19.408 -30.912  48.021  1.00  3.94           C  
-ATOM     81  CG  GLU H 152     -19.539 -31.002  49.532  1.00  4.18           C  
-ATOM     82  CD  GLU H 152     -18.234 -30.724  50.274  1.00  4.52           C  
-ATOM     83  OE1 GLU H 152     -17.979 -31.432  51.270  1.00  4.27           O  
-ATOM     84  OE2 GLU H 152     -17.465 -29.821  49.858  1.00  4.36           O  
-ATOM     85  N   SER H 153     -18.008 -33.899  48.543  1.00  3.80           N  
-ATOM     86  CA  SER H 153     -18.057 -35.345  48.679  1.00  3.87           C  
-ATOM     87  C   SER H 153     -19.353 -35.770  49.344  1.00  3.86           C  
-ATOM     88  O   SER H 153     -19.721 -35.237  50.389  1.00  4.03           O  
-ATOM     89  CB  SER H 153     -16.868 -35.838  49.500  1.00  3.93           C  
-ATOM     90  OG  SER H 153     -16.818 -37.251  49.526  1.00  4.39           O  
-ATOM     91  N   ILE H 154     -20.037 -36.731  48.730  1.00  3.81           N  
-ATOM     92  CA  ILE H 154     -21.332 -37.213  49.209  1.00  3.75           C  
-ATOM     93  C   ILE H 154     -21.326 -38.740  49.267  1.00  3.65           C  
-ATOM     94  O   ILE H 154     -20.803 -39.395  48.363  1.00  3.68           O  
-ATOM     95  CB  ILE H 154     -22.485 -36.722  48.290  1.00  3.79           C  
-ATOM     96  CG1 ILE H 154     -23.017 -35.366  48.763  1.00  3.86           C  
-ATOM     97  CG2 ILE H 154     -23.634 -37.705  48.281  1.00  3.63           C  
-ATOM     98  CD1 ILE H 154     -22.047 -34.237  48.609  1.00  3.91           C  
-ATOM     99  N   SER H 155     -21.903 -39.295  50.332  1.00  3.52           N  
-ATOM    100  CA  SER H 155     -22.021 -40.746  50.490  1.00  3.49           C  
-ATOM    101  C   SER H 155     -23.037 -41.309  49.507  1.00  3.37           C  
-ATOM    102  O   SER H 155     -24.080 -40.697  49.268  1.00  3.20           O  
-ATOM    103  CB  SER H 155     -22.469 -41.105  51.907  1.00  3.52           C  
-ATOM    104  OG  SER H 155     -21.598 -40.560  52.879  1.00  3.90           O  
-ATOM    105  N   CYS H 156     -22.739 -42.477  48.946  1.00  3.30           N  
-ATOM    106  CA  CYS H 156     -23.650 -43.110  48.001  1.00  3.34           C  
-ATOM    107  C   CYS H 156     -23.556 -44.634  48.007  1.00  3.40           C  
-ATOM    108  O   CYS H 156     -22.478 -45.204  48.209  1.00  3.32           O  
-ATOM    109  CB  CYS H 156     -23.416 -42.571  46.586  1.00  3.35           C  
-ATOM    110  SG  CYS H 156     -21.713 -42.690  45.990  1.00  3.12           S  
-ATOM    111  N   PHE H 157     -24.708 -45.273  47.799  1.00  3.34           N  
-ATOM    112  CA  PHE H 157     -24.799 -46.720  47.634  1.00  3.40           C  
-ATOM    113  C   PHE H 157     -24.831 -47.059  46.155  1.00  3.52           C  
-ATOM    114  O   PHE H 157     -25.576 -46.443  45.390  1.00  3.53           O  
-ATOM    115  CB  PHE H 157     -26.080 -47.263  48.269  1.00  3.43           C  
-ATOM    116  CG  PHE H 157     -26.141 -47.102  49.756  1.00  3.42           C  
-ATOM    117  CD1 PHE H 157     -26.928 -46.111  50.330  1.00  3.33           C  
-ATOM    118  CD2 PHE H 157     -25.423 -47.948  50.586  1.00  3.33           C  
-ATOM    119  CE1 PHE H 157     -26.987 -45.962  51.708  1.00  3.26           C  
-ATOM    120  CE2 PHE H 157     -25.480 -47.807  51.964  1.00  3.33           C  
-ATOM    121  CZ  PHE H 157     -26.261 -46.813  52.526  1.00  3.09           C  
-ATOM    122  N   GLN H 158     -24.035 -48.045  45.753  1.00  3.67           N  
-ATOM    123  CA  GLN H 158     -24.098 -48.575  44.395  1.00  3.77           C  
-ATOM    124  C   GLN H 158     -25.296 -49.517  44.313  1.00  3.82           C  
-ATOM    125  O   GLN H 158     -25.397 -50.469  45.091  1.00  3.90           O  
-ATOM    126  CB  GLN H 158     -22.811 -49.324  44.043  1.00  3.82           C  
-ATOM    127  CG  GLN H 158     -22.748 -49.850  42.606  1.00  3.98           C  
-ATOM    128  CD  GLN H 158     -22.537 -48.753  41.576  1.00  4.27           C  
-ATOM    129  OE1 GLN H 158     -21.751 -47.825  41.786  1.00  4.37           O  
-ATOM    130  NE2 GLN H 158     -23.229 -48.864  40.445  1.00  4.33           N  
-ATOM    131  N   VAL H 159     -26.209 -49.235  43.387  1.00  3.79           N  
-ATOM    132  CA  VAL H 159     -27.404 -50.057  43.193  1.00  3.80           C  
-ATOM    133  C   VAL H 159     -27.701 -50.222  41.702  1.00  3.81           C  
-ATOM    134  O   VAL H 159     -28.451 -49.440  41.111  1.00  3.70           O  
-ATOM    135  CB  VAL H 159     -28.637 -49.451  43.908  1.00  3.78           C  
-ATOM    136  CG1 VAL H 159     -29.863 -50.334  43.708  1.00  3.97           C  
-ATOM    137  CG2 VAL H 159     -28.360 -49.266  45.387  1.00  3.77           C  
-ATOM    138  N   GLY H 160     -27.089 -51.238  41.102  1.00  3.86           N  
-ATOM    139  CA  GLY H 160     -27.358 -51.604  39.715  1.00  3.87           C  
-ATOM    140  C   GLY H 160     -26.859 -50.604  38.690  1.00  3.89           C  
-ATOM    141  O   GLY H 160     -27.633 -50.093  37.877  1.00  3.98           O  
-ATOM    142  N   GLY H 161     -25.563 -50.314  38.737  1.00  3.87           N  
-ATOM    143  CA  GLY H 161     -24.928 -49.441  37.749  1.00  3.86           C  
-ATOM    144  C   GLY H 161     -25.198 -47.960  37.952  1.00  3.82           C  
-ATOM    145  O   GLY H 161     -24.759 -47.133  37.154  1.00  3.86           O  
-ATOM    146  N   GLU H 162     -25.921 -47.626  39.018  1.00  3.80           N  
-ATOM    147  CA  GLU H 162     -26.178 -46.240  39.381  1.00  3.82           C  
-ATOM    148  C   GLU H 162     -25.715 -45.992  40.810  1.00  3.66           C  
-ATOM    149  O   GLU H 162     -25.888 -46.842  41.684  1.00  3.58           O  
-ATOM    150  CB  GLU H 162     -27.666 -45.915  39.240  1.00  3.87           C  
-ATOM    151  CG  GLU H 162     -28.068 -45.542  37.820  1.00  4.44           C  
-ATOM    152  CD  GLU H 162     -29.555 -45.257  37.669  1.00  5.12           C  
-ATOM    153  OE1 GLU H 162     -30.365 -45.895  38.375  1.00  5.67           O  
-ATOM    154  OE2 GLU H 162     -29.914 -44.399  36.830  1.00  5.50           O  
-ATOM    155  N   LYS H 163     -25.106 -44.832  41.032  1.00  3.57           N  
-ATOM    156  CA  LYS H 163     -24.757 -44.400  42.378  1.00  3.58           C  
-ATOM    157  C   LYS H 163     -25.972 -43.686  42.964  1.00  3.53           C  
-ATOM    158  O   LYS H 163     -26.494 -42.748  42.362  1.00  3.42           O  
-ATOM    159  CB  LYS H 163     -23.541 -43.469  42.361  1.00  3.55           C  
-ATOM    160  CG  LYS H 163     -22.332 -44.043  41.629  1.00  3.76           C  
-ATOM    161  CD  LYS H 163     -21.071 -43.215  41.866  1.00  3.88           C  
-ATOM    162  CE  LYS H 163     -20.015 -43.481  40.795  1.00  4.10           C  
-ATOM    163  NZ  LYS H 163     -19.699 -44.930  40.647  1.00  4.05           N  
-ATOM    164  N   ARG H 164     -26.427 -44.150  44.123  1.00  3.47           N  
-ATOM    165  CA  ARG H 164     -27.566 -43.545  44.806  1.00  3.50           C  
-ATOM    166  C   ARG H 164     -27.101 -42.694  45.987  1.00  3.39           C  
-ATOM    167  O   ARG H 164     -26.668 -43.217  47.011  1.00  3.29           O  
-ATOM    168  CB  ARG H 164     -28.543 -44.630  45.260  1.00  3.53           C  
-ATOM    169  CG  ARG H 164     -29.195 -45.359  44.089  1.00  3.88           C  
-ATOM    170  CD  ARG H 164     -30.428 -46.149  44.497  1.00  4.41           C  
-ATOM    171  NE  ARG H 164     -31.275 -46.450  43.341  1.00  5.20           N  
-ATOM    172  CZ  ARG H 164     -32.083 -45.575  42.734  1.00  5.72           C  
-ATOM    173  NH1 ARG H 164     -32.802 -45.962  41.685  1.00  5.37           N  
-ATOM    174  NH2 ARG H 164     -32.176 -44.313  43.159  1.00  6.09           N  
-ATOM    175  N   LEU H 165     -27.212 -41.378  45.833  1.00  3.32           N  
-ATOM    176  CA  LEU H 165     -26.679 -40.424  46.806  1.00  3.36           C  
-ATOM    177  C   LEU H 165     -27.611 -40.236  48.002  1.00  3.42           C  
-ATOM    178  O   LEU H 165     -28.833 -40.217  47.851  1.00  3.46           O  
-ATOM    179  CB  LEU H 165     -26.417 -39.068  46.138  1.00  3.24           C  
-ATOM    180  CG  LEU H 165     -25.215 -38.990  45.192  1.00  3.06           C  
-ATOM    181  CD1 LEU H 165     -25.366 -39.924  44.005  1.00  2.76           C  
-ATOM    182  CD2 LEU H 165     -25.016 -37.556  44.716  1.00  2.87           C  
-ATOM    183  N   CYS H 166     -27.015 -40.086  49.183  1.00  3.55           N  
-ATOM    184  CA  CYS H 166     -27.754 -39.856  50.429  1.00  3.73           C  
-ATOM    185  C   CYS H 166     -28.383 -38.459  50.438  1.00  3.80           C  
-ATOM    186  O   CYS H 166     -27.681 -37.460  50.621  1.00  3.79           O  
-ATOM    187  CB  CYS H 166     -26.813 -40.011  51.626  1.00  3.77           C  
-ATOM    188  SG  CYS H 166     -27.532 -39.569  53.220  1.00  4.20           S  
-ATOM    189  N   LEU H 167     -29.704 -38.401  50.264  1.00  3.88           N  
-ATOM    190  CA  LEU H 167     -30.401 -37.133  49.991  1.00  3.91           C  
-ATOM    191  C   LEU H 167     -30.227 -36.068  51.078  1.00  3.97           C  
-ATOM    192  O   LEU H 167     -29.972 -34.905  50.753  1.00  4.15           O  
-ATOM    193  CB  LEU H 167     -31.892 -37.366  49.708  1.00  3.88           C  
-ATOM    194  CG  LEU H 167     -32.691 -36.151  49.219  1.00  3.87           C  
-ATOM    195  CD1 LEU H 167     -32.119 -35.610  47.909  1.00  3.97           C  
-ATOM    196  CD2 LEU H 167     -34.164 -36.507  49.054  1.00  3.58           C  
-ATOM    197  N   PRO H 168     -30.366 -36.449  52.363  1.00  3.86           N  
-ATOM    198  CA  PRO H 168     -30.085 -35.479  53.428  1.00  3.85           C  
-ATOM    199  C   PRO H 168     -28.701 -34.834  53.313  1.00  3.85           C  
-ATOM    200  O   PRO H 168     -28.557 -33.636  53.549  1.00  3.87           O  
-ATOM    201  CB  PRO H 168     -30.170 -36.325  54.701  1.00  3.82           C  
-ATOM    202  CG  PRO H 168     -31.108 -37.417  54.359  1.00  3.81           C  
-ATOM    203  CD  PRO H 168     -30.869 -37.723  52.908  1.00  3.84           C  
-ATOM    204  N   GLN H 169     -27.702 -35.631  52.944  1.00  3.87           N  
-ATOM    205  CA  GLN H 169     -26.321 -35.162  52.828  1.00  3.82           C  
-ATOM    206  C   GLN H 169     -26.130 -34.296  51.578  1.00  3.80           C  
-ATOM    207  O   GLN H 169     -25.177 -33.517  51.493  1.00  3.76           O  
-ATOM    208  CB  GLN H 169     -25.361 -36.357  52.816  1.00  3.80           C  
-ATOM    209  CG  GLN H 169     -23.897 -35.985  52.961  1.00  4.21           C  
-ATOM    210  CD  GLN H 169     -23.007 -37.175  53.282  1.00  4.68           C  
-ATOM    211  OE1 GLN H 169     -23.394 -38.327  53.087  1.00  4.77           O  
-ATOM    212  NE2 GLN H 169     -21.798 -36.897  53.776  1.00  4.77           N  
-ATOM    213  N   VAL H 170     -27.029 -34.449  50.605  1.00  3.81           N  
-ATOM    214  CA  VAL H 170     -27.094 -33.545  49.454  1.00  3.73           C  
-ATOM    215  C   VAL H 170     -27.766 -32.239  49.862  1.00  3.84           C  
-ATOM    216  O   VAL H 170     -27.268 -31.153  49.552  1.00  3.97           O  
-ATOM    217  CB  VAL H 170     -27.864 -34.170  48.273  1.00  3.66           C  
-ATOM    218  CG1 VAL H 170     -28.214 -33.113  47.229  1.00  3.30           C  
-ATOM    219  CG2 VAL H 170     -27.050 -35.289  47.654  1.00  3.71           C  
-ATOM    220  N   LEU H 171     -28.885 -32.355  50.576  1.00  3.90           N  
-ATOM    221  CA  LEU H 171     -29.656 -31.189  51.027  1.00  3.96           C  
-ATOM    222  C   LEU H 171     -28.926 -30.295  52.043  1.00  4.01           C  
-ATOM    223  O   LEU H 171     -29.380 -29.183  52.311  1.00  4.12           O  
-ATOM    224  CB  LEU H 171     -31.007 -31.631  51.605  1.00  3.96           C  
-ATOM    225  CG  LEU H 171     -32.138 -31.836  50.588  1.00  4.20           C  
-ATOM    226  CD1 LEU H 171     -31.658 -32.576  49.338  1.00  4.38           C  
-ATOM    227  CD2 LEU H 171     -33.308 -32.571  51.231  1.00  4.02           C  
-ATOM    228  N   ASN H 172     -27.815 -30.776  52.604  1.00  3.93           N  
-ATOM    229  CA  ASN H 172     -27.044 -30.013  53.589  1.00  3.98           C  
-ATOM    230  C   ASN H 172     -25.670 -29.547  53.092  1.00  3.95           C  
-ATOM    231  O   ASN H 172     -25.221 -28.462  53.459  1.00  3.89           O  
-ATOM    232  CB  ASN H 172     -26.865 -30.836  54.870  1.00  4.05           C  
-ATOM    233  CG  ASN H 172     -28.189 -31.198  55.530  1.00  4.24           C  
-ATOM    234  OD1 ASN H 172     -29.237 -30.630  55.213  1.00  4.41           O  
-ATOM    235  ND2 ASN H 172     -28.145 -32.152  56.456  1.00  4.49           N  
-ATOM    236  N   SER H 173     -25.003 -30.369  52.282  1.00  3.89           N  
-ATOM    237  CA  SER H 173     -23.662 -30.050  51.781  1.00  3.92           C  
-ATOM    238  C   SER H 173     -23.669 -29.348  50.419  1.00  3.85           C  
-ATOM    239  O   SER H 173     -22.617 -28.908  49.952  1.00  3.78           O  
-ATOM    240  CB  SER H 173     -22.801 -31.317  51.692  1.00  3.95           C  
-ATOM    241  OG  SER H 173     -22.676 -31.951  52.953  1.00  4.17           O  
-ATOM    242  N   VAL H 174     -24.838 -29.247  49.782  1.00  3.75           N  
-ATOM    243  CA  VAL H 174     -24.944 -28.607  48.465  1.00  3.61           C  
-ATOM    244  C   VAL H 174     -26.139 -27.651  48.364  1.00  3.55           C  
-ATOM    245  O   VAL H 174     -25.963 -26.473  48.059  1.00  3.51           O  
-ATOM    246  CB  VAL H 174     -24.998 -29.659  47.334  1.00  3.63           C  
-ATOM    247  CG1 VAL H 174     -25.293 -29.004  45.987  1.00  3.56           C  
-ATOM    248  CG2 VAL H 174     -23.688 -30.425  47.268  1.00  3.49           C  
-ATOM    249  N   LEU H 175     -27.344 -28.156  48.619  1.00  3.53           N  
-ATOM    250  CA  LEU H 175     -28.572 -27.353  48.495  1.00  3.54           C  
-ATOM    251  C   LEU H 175     -29.087 -26.863  49.853  1.00  3.55           C  
-ATOM    252  O   LEU H 175     -30.289 -26.921  50.137  1.00  3.53           O  
-ATOM    253  CB  LEU H 175     -29.662 -28.159  47.774  1.00  3.54           C  
-ATOM    254  CG  LEU H 175     -29.298 -28.704  46.389  1.00  3.55           C  
-ATOM    255  CD1 LEU H 175     -30.479 -29.462  45.783  1.00  3.48           C  
-ATOM    256  CD2 LEU H 175     -28.842 -27.586  45.462  1.00  3.30           C  
-ATOM    257  N   ARG H 176     -28.165 -26.366  50.674  1.00  3.58           N  
-ATOM    258  CA  ARG H 176     -28.472 -25.852  52.013  1.00  3.60           C  
-ATOM    259  C   ARG H 176     -29.474 -24.695  51.961  1.00  3.57           C  
-ATOM    260  O   ARG H 176     -30.352 -24.593  52.815  1.00  3.55           O  
-ATOM    261  CB  ARG H 176     -27.179 -25.383  52.698  1.00  3.64           C  
-ATOM    262  CG  ARG H 176     -27.325 -24.986  54.170  1.00  3.80           C  
-ATOM    263  CD  ARG H 176     -26.987 -26.132  55.119  1.00  4.09           C  
-ATOM    264  NE  ARG H 176     -25.557 -26.197  55.432  1.00  4.13           N  
-ATOM    265  CZ  ARG H 176     -24.925 -25.398  56.291  1.00  4.40           C  
-ATOM    266  NH1 ARG H 176     -25.575 -24.436  56.943  1.00  4.72           N  
-ATOM    267  NH2 ARG H 176     -23.623 -25.555  56.496  1.00  4.57           N  
-ATOM    268  N   GLU H 177     -29.342 -23.839  50.950  1.00  3.59           N  
-ATOM    269  CA  GLU H 177     -30.160 -22.627  50.843  1.00  3.67           C  
-ATOM    270  C   GLU H 177     -31.634 -22.915  50.531  1.00  3.62           C  
-ATOM    271  O   GLU H 177     -32.489 -22.059  50.752  1.00  3.62           O  
-ATOM    272  CB  GLU H 177     -29.592 -21.680  49.774  1.00  3.73           C  
-ATOM    273  CG  GLU H 177     -28.126 -21.244  49.973  1.00  4.04           C  
-ATOM    274  CD  GLU H 177     -27.919 -20.274  51.131  1.00  4.35           C  
-ATOM    275  OE1 GLU H 177     -27.543 -19.109  50.875  1.00  4.65           O  
-ATOM    276  OE2 GLU H 177     -28.114 -20.674  52.298  1.00  4.74           O  
-ATOM    277  N   PHE H 178     -31.928 -24.108  50.018  1.00  3.56           N  
-ATOM    278  CA  PHE H 178     -33.297 -24.473  49.648  1.00  3.60           C  
-ATOM    279  C   PHE H 178     -33.967 -25.349  50.706  1.00  3.63           C  
-ATOM    280  O   PHE H 178     -33.326 -26.207  51.316  1.00  3.62           O  
-ATOM    281  CB  PHE H 178     -33.301 -25.179  48.293  1.00  3.56           C  
-ATOM    282  CG  PHE H 178     -32.667 -24.373  47.203  1.00  3.49           C  
-ATOM    283  CD1 PHE H 178     -33.331 -23.287  46.654  1.00  3.45           C  
-ATOM    284  CD2 PHE H 178     -31.393 -24.680  46.743  1.00  3.63           C  
-ATOM    285  CE1 PHE H 178     -32.740 -22.525  45.655  1.00  3.45           C  
-ATOM    286  CE2 PHE H 178     -30.795 -23.925  45.743  1.00  3.46           C  
-ATOM    287  CZ  PHE H 178     -31.471 -22.845  45.198  1.00  3.43           C  
-ATOM    288  N   THR H 179     -35.263 -25.119  50.913  1.00  3.73           N  
-ATOM    289  CA  THR H 179     -36.054 -25.879  51.886  1.00  3.78           C  
-ATOM    290  C   THR H 179     -36.423 -27.248  51.321  1.00  3.87           C  
-ATOM    291  O   THR H 179     -36.376 -27.457  50.112  1.00  3.88           O  
-ATOM    292  CB  THR H 179     -37.355 -25.142  52.262  1.00  3.76           C  
-ATOM    293  OG1 THR H 179     -38.226 -25.094  51.125  1.00  3.76           O  
-ATOM    294  CG2 THR H 179     -37.062 -23.724  52.739  1.00  3.71           C  
-ATOM    295  N   LEU H 180     -36.806 -28.170  52.200  1.00  4.02           N  
-ATOM    296  CA  LEU H 180     -37.143 -29.541  51.792  1.00  4.12           C  
-ATOM    297  C   LEU H 180     -38.348 -29.571  50.850  1.00  4.06           C  
-ATOM    298  O   LEU H 180     -38.349 -30.305  49.861  1.00  4.08           O  
-ATOM    299  CB  LEU H 180     -37.403 -30.423  53.022  1.00  4.18           C  
-ATOM    300  CG  LEU H 180     -37.546 -31.935  52.797  1.00  4.44           C  
-ATOM    301  CD1 LEU H 180     -36.421 -32.489  51.928  1.00  4.51           C  
-ATOM    302  CD2 LEU H 180     -37.593 -32.669  54.134  1.00  4.60           C  
-ATOM    303  N   GLN H 181     -39.358 -28.763  51.163  1.00  4.05           N  
-ATOM    304  CA  GLN H 181     -40.536 -28.594  50.306  1.00  4.09           C  
-ATOM    305  C   GLN H 181     -40.139 -28.133  48.902  1.00  4.07           C  
-ATOM    306  O   GLN H 181     -40.671 -28.627  47.903  1.00  4.14           O  
-ATOM    307  CB  GLN H 181     -41.503 -27.582  50.937  1.00  4.10           C  
-ATOM    308  CG  GLN H 181     -42.703 -27.193  50.068  1.00  4.30           C  
-ATOM    309  CD  GLN H 181     -43.618 -26.176  50.745  1.00  4.56           C  
-ATOM    310  OE1 GLN H 181     -43.754 -26.162  51.970  1.00  4.92           O  
-ATOM    311  NE2 GLN H 181     -44.254 -25.324  49.945  1.00  4.32           N  
-ATOM    312  N   GLN H 182     -39.209 -27.183  48.835  1.00  3.98           N  
-ATOM    313  CA  GLN H 182     -38.731 -26.665  47.556  1.00  3.87           C  
-ATOM    314  C   GLN H 182     -38.008 -27.740  46.746  1.00  3.88           C  
-ATOM    315  O   GLN H 182     -38.247 -27.866  45.546  1.00  3.86           O  
-ATOM    316  CB  GLN H 182     -37.818 -25.452  47.764  1.00  3.84           C  
-ATOM    317  CG  GLN H 182     -38.565 -24.161  48.085  1.00  3.70           C  
-ATOM    318  CD  GLN H 182     -37.636 -22.998  48.407  1.00  3.35           C  
-ATOM    319  OE1 GLN H 182     -36.476 -23.194  48.764  1.00  3.17           O  
-ATOM    320  NE2 GLN H 182     -38.150 -21.779  48.285  1.00  3.05           N  
-ATOM    321  N   ILE H 183     -37.130 -28.506  47.396  1.00  3.92           N  
-ATOM    322  CA  ILE H 183     -36.389 -29.575  46.711  1.00  3.92           C  
-ATOM    323  C   ILE H 183     -37.345 -30.623  46.161  1.00  3.89           C  
-ATOM    324  O   ILE H 183     -37.169 -31.097  45.037  1.00  3.90           O  
-ATOM    325  CB  ILE H 183     -35.344 -30.273  47.625  1.00  3.95           C  
-ATOM    326  CG1 ILE H 183     -34.047 -29.465  47.692  1.00  4.08           C  
-ATOM    327  CG2 ILE H 183     -35.003 -31.667  47.106  1.00  3.88           C  
-ATOM    328  CD1 ILE H 183     -34.086 -28.338  48.679  1.00  4.35           C  
-ATOM    329  N   ASN H 184     -38.350 -30.980  46.955  1.00  3.91           N  
-ATOM    330  CA  ASN H 184     -39.366 -31.940  46.525  1.00  3.92           C  
-ATOM    331  C   ASN H 184     -40.139 -31.428  45.310  1.00  3.92           C  
-ATOM    332  O   ASN H 184     -40.480 -32.200  44.414  1.00  4.01           O  
-ATOM    333  CB  ASN H 184     -40.334 -32.263  47.671  1.00  3.88           C  
-ATOM    334  CG  ASN H 184     -39.721 -33.180  48.721  1.00  3.94           C  
-ATOM    335  OD1 ASN H 184     -38.965 -34.096  48.401  1.00  4.37           O  
-ATOM    336  ND2 ASN H 184     -40.059 -32.941  49.981  1.00  4.12           N  
-ATOM    337  N   THR H 185     -40.394 -30.123  45.281  1.00  3.89           N  
-ATOM    338  CA  THR H 185     -41.105 -29.502  44.169  1.00  3.88           C  
-ATOM    339  C   THR H 185     -40.292 -29.588  42.881  1.00  3.89           C  
-ATOM    340  O   THR H 185     -40.779 -30.085  41.865  1.00  3.92           O  
-ATOM    341  CB  THR H 185     -41.422 -28.031  44.460  1.00  3.91           C  
-ATOM    342  OG1 THR H 185     -42.198 -27.941  45.661  1.00  4.13           O  
-ATOM    343  CG2 THR H 185     -42.202 -27.415  43.306  1.00  3.90           C  
-ATOM    344  N   VAL H 186     -39.055 -29.104  42.925  1.00  3.87           N  
-ATOM    345  CA  VAL H 186     -38.175 -29.165  41.762  1.00  3.83           C  
-ATOM    346  C   VAL H 186     -38.056 -30.607  41.263  1.00  3.93           C  
-ATOM    347  O   VAL H 186     -38.178 -30.869  40.065  1.00  4.03           O  
-ATOM    348  CB  VAL H 186     -36.776 -28.607  42.065  1.00  3.80           C  
-ATOM    349  CG1 VAL H 186     -35.882 -28.749  40.843  1.00  3.70           C  
-ATOM    350  CG2 VAL H 186     -36.866 -27.148  42.483  1.00  3.56           C  
-ATOM    351  N   CYS H 187     -37.836 -31.539  42.187  1.00  3.95           N  
-ATOM    352  CA  CYS H 187     -37.772 -32.964  41.847  1.00  4.04           C  
-ATOM    353  C   CYS H 187     -39.003 -33.419  41.066  1.00  4.05           C  
-ATOM    354  O   CYS H 187     -38.890 -34.201  40.117  1.00  4.06           O  
-ATOM    355  CB  CYS H 187     -37.626 -33.818  43.106  1.00  4.03           C  
-ATOM    356  SG  CYS H 187     -35.954 -33.848  43.759  1.00  4.77           S  
-ATOM    357  N   ASP H 188     -40.171 -32.927  41.475  1.00  3.97           N  
-ATOM    358  CA  ASP H 188     -41.423 -33.232  40.789  1.00  3.98           C  
-ATOM    359  C   ASP H 188     -41.424 -32.637  39.378  1.00  3.88           C  
-ATOM    360  O   ASP H 188     -41.648 -33.349  38.402  1.00  3.81           O  
-ATOM    361  CB  ASP H 188     -42.617 -32.704  41.593  1.00  4.00           C  
-ATOM    362  CG  ASP H 188     -43.944 -33.061  40.967  1.00  4.28           C  
-ATOM    363  OD1 ASP H 188     -44.814 -32.171  40.876  1.00  5.08           O  
-ATOM    364  OD2 ASP H 188     -44.120 -34.230  40.564  1.00  4.89           O  
-ATOM    365  N   GLU H 189     -41.150 -31.336  39.285  1.00  3.81           N  
-ATOM    366  CA  GLU H 189     -41.035 -30.644  37.994  1.00  3.77           C  
-ATOM    367  C   GLU H 189     -40.060 -31.349  37.052  1.00  3.73           C  
-ATOM    368  O   GLU H 189     -40.288 -31.403  35.845  1.00  3.75           O  
-ATOM    369  CB  GLU H 189     -40.547 -29.206  38.198  1.00  3.84           C  
-ATOM    370  CG  GLU H 189     -41.523 -28.285  38.912  1.00  4.00           C  
-ATOM    371  CD  GLU H 189     -40.878 -26.986  39.376  1.00  4.06           C  
-ATOM    372  OE1 GLU H 189     -39.783 -26.636  38.880  1.00  4.15           O  
-ATOM    373  OE2 GLU H 189     -41.475 -26.310  40.239  1.00  4.31           O  
-ATOM    374  N   LEU H 190     -38.972 -31.876  37.618  1.00  3.69           N  
-ATOM    375  CA  LEU H 190     -37.918 -32.548  36.849  1.00  3.63           C  
-ATOM    376  C   LEU H 190     -38.191 -34.033  36.576  1.00  3.63           C  
-ATOM    377  O   LEU H 190     -37.383 -34.699  35.925  1.00  3.58           O  
-ATOM    378  CB  LEU H 190     -36.573 -32.403  37.574  1.00  3.57           C  
-ATOM    379  CG  LEU H 190     -35.997 -30.985  37.667  1.00  3.51           C  
-ATOM    380  CD1 LEU H 190     -34.760 -30.954  38.568  1.00  3.22           C  
-ATOM    381  CD2 LEU H 190     -35.668 -30.446  36.284  1.00  3.09           C  
-ATOM    382  N   TYR H 191     -39.326 -34.540  37.059  1.00  3.61           N  
-ATOM    383  CA  TYR H 191     -39.670 -35.961  36.956  1.00  3.63           C  
-ATOM    384  C   TYR H 191     -38.588 -36.842  37.590  1.00  3.71           C  
-ATOM    385  O   TYR H 191     -38.226 -37.890  37.051  1.00  3.62           O  
-ATOM    386  CB  TYR H 191     -39.919 -36.362  35.497  1.00  3.60           C  
-ATOM    387  CG  TYR H 191     -40.766 -37.612  35.335  1.00  3.57           C  
-ATOM    388  CD1 TYR H 191     -40.203 -38.811  34.896  1.00  3.50           C  
-ATOM    389  CD2 TYR H 191     -42.133 -37.593  35.617  1.00  3.15           C  
-ATOM    390  CE1 TYR H 191     -40.979 -39.957  34.748  1.00  3.12           C  
-ATOM    391  CE2 TYR H 191     -42.914 -38.732  35.469  1.00  2.98           C  
-ATOM    392  CZ  TYR H 191     -42.331 -39.909  35.035  1.00  2.88           C  
-ATOM    393  OH  TYR H 191     -43.100 -41.034  34.888  1.00  2.67           O  
-ATOM    394  N   ILE H 192     -38.081 -36.398  38.740  1.00  3.86           N  
-ATOM    395  CA  ILE H 192     -37.096 -37.152  39.512  1.00  3.98           C  
-ATOM    396  C   ILE H 192     -37.802 -37.982  40.574  1.00  4.06           C  
-ATOM    397  O   ILE H 192     -38.636 -37.461  41.321  1.00  4.09           O  
-ATOM    398  CB  ILE H 192     -36.099 -36.224  40.218  1.00  3.98           C  
-ATOM    399  CG1 ILE H 192     -35.244 -35.482  39.193  1.00  4.00           C  
-ATOM    400  CG2 ILE H 192     -35.200 -37.020  41.161  1.00  4.15           C  
-ATOM    401  CD1 ILE H 192     -34.294 -34.484  39.819  1.00  4.26           C  
-ATOM    402  N   TYR H 193     -37.468 -39.269  40.629  1.00  4.14           N  
-ATOM    403  CA  TYR H 193     -37.988 -40.167  41.658  1.00  4.23           C  
-ATOM    404  C   TYR H 193     -36.889 -40.451  42.672  1.00  4.26           C  
-ATOM    405  O   TYR H 193     -35.861 -41.047  42.332  1.00  4.29           O  
-ATOM    406  CB  TYR H 193     -38.478 -41.478  41.040  1.00  4.28           C  
-ATOM    407  CG  TYR H 193     -38.898 -42.522  42.058  1.00  4.63           C  
-ATOM    408  CD1 TYR H 193     -37.996 -43.487  42.508  1.00  4.86           C  
-ATOM    409  CD2 TYR H 193     -40.198 -42.545  42.573  1.00  4.75           C  
-ATOM    410  CE1 TYR H 193     -38.371 -44.447  43.441  1.00  5.04           C  
-ATOM    411  CE2 TYR H 193     -40.584 -43.503  43.507  1.00  4.84           C  
-ATOM    412  CZ  TYR H 193     -39.664 -44.450  43.935  1.00  5.17           C  
-ATOM    413  OH  TYR H 193     -40.026 -45.400  44.859  1.00  5.83           O  
-ATOM    414  N   CYS H 194     -37.106 -40.018  43.912  1.00  4.25           N  
-ATOM    415  CA  CYS H 194     -36.177 -40.310  45.001  1.00  4.22           C  
-ATOM    416  C   CYS H 194     -36.597 -41.603  45.690  1.00  4.12           C  
-ATOM    417  O   CYS H 194     -37.728 -41.717  46.175  1.00  4.10           O  
-ATOM    418  CB  CYS H 194     -36.138 -39.160  46.006  1.00  4.28           C  
-ATOM    419  SG  CYS H 194     -35.244 -37.695  45.412  1.00  4.95           S  
-ATOM    420  N   SER H 195     -35.693 -42.580  45.713  1.00  3.98           N  
-ATOM    421  CA  SER H 195     -35.962 -43.860  46.362  1.00  3.95           C  
-ATOM    422  C   SER H 195     -35.748 -43.739  47.868  1.00  3.89           C  
-ATOM    423  O   SER H 195     -35.323 -42.699  48.366  1.00  3.65           O  
-ATOM    424  CB  SER H 195     -35.096 -44.977  45.762  1.00  3.91           C  
-ATOM    425  OG  SER H 195     -33.715 -44.643  45.774  1.00  4.62           O  
-ATOM    426  N   ARG H 196     -36.076 -44.806  48.586  1.00  4.08           N  
-ATOM    427  CA  ARG H 196     -35.979 -44.843  50.042  1.00  4.19           C  
-ATOM    428  C   ARG H 196     -34.972 -45.914  50.456  1.00  4.10           C  
-ATOM    429  O   ARG H 196     -35.004 -47.030  49.938  1.00  4.19           O  
-ATOM    430  CB  ARG H 196     -37.358 -45.153  50.629  1.00  4.26           C  
-ATOM    431  CG  ARG H 196     -37.467 -44.986  52.141  1.00  4.90           C  
-ATOM    432  CD  ARG H 196     -38.872 -44.525  52.558  1.00  5.21           C  
-ATOM    433  NE  ARG H 196     -39.115 -43.138  52.148  1.00  5.88           N  
-ATOM    434  CZ  ARG H 196     -40.250 -42.467  52.345  1.00  6.04           C  
-ATOM    435  NH1 ARG H 196     -41.284 -43.040  52.957  1.00  6.00           N  
-ATOM    436  NH2 ARG H 196     -40.354 -41.208  51.922  1.00  6.20           N  
-ATOM    437  N   CYS H 197     -34.079 -45.571  51.379  1.00  4.02           N  
-ATOM    438  CA  CYS H 197     -33.079 -46.520  51.877  1.00  4.11           C  
-ATOM    439  C   CYS H 197     -33.725 -47.824  52.324  1.00  3.85           C  
-ATOM    440  O   CYS H 197     -34.812 -47.817  52.893  1.00  3.62           O  
-ATOM    441  CB  CYS H 197     -32.303 -45.932  53.062  1.00  4.09           C  
-ATOM    442  SG  CYS H 197     -30.826 -45.016  52.611  1.00  5.66           S  
-ATOM    443  N   THR H 198     -33.040 -48.937  52.070  1.00  3.78           N  
-ATOM    444  CA  THR H 198     -33.429 -50.222  52.643  1.00  3.76           C  
-ATOM    445  C   THR H 198     -33.095 -50.216  54.132  1.00  3.73           C  
-ATOM    446  O   THR H 198     -32.483 -49.275  54.640  1.00  3.60           O  
-ATOM    447  CB  THR H 198     -32.713 -51.420  51.964  1.00  3.79           C  
-ATOM    448  OG1 THR H 198     -31.305 -51.374  52.236  1.00  3.67           O  
-ATOM    449  CG2 THR H 198     -32.947 -51.413  50.456  1.00  3.75           C  
-ATOM    450  N   SER H 199     -33.503 -51.269  54.829  1.00  3.77           N  
-ATOM    451  CA  SER H 199     -33.196 -51.407  56.248  1.00  3.71           C  
-ATOM    452  C   SER H 199     -31.682 -51.491  56.470  1.00  3.63           C  
-ATOM    453  O   SER H 199     -31.142 -50.821  57.350  1.00  3.52           O  
-ATOM    454  CB  SER H 199     -33.894 -52.637  56.823  1.00  3.67           C  
-ATOM    455  OG  SER H 199     -33.681 -52.731  58.219  1.00  3.92           O  
-ATOM    456  N   ASP H 200     -31.011 -52.310  55.663  1.00  3.65           N  
-ATOM    457  CA  ASP H 200     -29.548 -52.434  55.710  1.00  3.72           C  
-ATOM    458  C   ASP H 200     -28.857 -51.105  55.456  1.00  3.58           C  
-ATOM    459  O   ASP H 200     -27.912 -50.745  56.158  1.00  3.57           O  
-ATOM    460  CB  ASP H 200     -29.051 -53.458  54.680  1.00  3.84           C  
-ATOM    461  CG  ASP H 200     -28.777 -54.816  55.291  1.00  4.27           C  
-ATOM    462  OD1 ASP H 200     -29.499 -55.781  54.953  1.00  5.02           O  
-ATOM    463  OD2 ASP H 200     -27.839 -54.913  56.114  1.00  4.66           O  
-ATOM    464  N   GLN H 201     -29.328 -50.390  54.440  1.00  3.48           N  
-ATOM    465  CA  GLN H 201     -28.762 -49.095  54.080  1.00  3.45           C  
-ATOM    466  C   GLN H 201     -28.946 -48.076  55.204  1.00  3.47           C  
-ATOM    467  O   GLN H 201     -28.006 -47.366  55.559  1.00  3.42           O  
-ATOM    468  CB  GLN H 201     -29.367 -48.593  52.766  1.00  3.41           C  
-ATOM    469  CG  GLN H 201     -28.864 -49.381  51.553  1.00  3.35           C  
-ATOM    470  CD  GLN H 201     -29.615 -49.089  50.265  1.00  2.78           C  
-ATOM    471  OE1 GLN H 201     -30.753 -48.632  50.280  1.00  3.32           O  
-ATOM    472  NE2 GLN H 201     -28.977 -49.373  49.141  1.00  2.36           N  
-ATOM    473  N   LEU H 202     -30.147 -48.032  55.777  1.00  3.53           N  
-ATOM    474  CA  LEU H 202     -30.441 -47.148  56.910  1.00  3.52           C  
-ATOM    475  C   LEU H 202     -29.590 -47.486  58.135  1.00  3.59           C  
-ATOM    476  O   LEU H 202     -29.198 -46.590  58.881  1.00  3.65           O  
-ATOM    477  CB  LEU H 202     -31.928 -47.220  57.283  1.00  3.59           C  
-ATOM    478  CG  LEU H 202     -32.428 -46.243  58.356  1.00  3.47           C  
-ATOM    479  CD1 LEU H 202     -32.248 -44.797  57.910  1.00  3.26           C  
-ATOM    480  CD2 LEU H 202     -33.885 -46.513  58.694  1.00  3.45           C  
-ATOM    481  N   HIS H 203     -29.313 -48.772  58.339  1.00  3.61           N  
-ATOM    482  CA  HIS H 203     -28.493 -49.218  59.465  1.00  3.65           C  
-ATOM    483  C   HIS H 203     -27.037 -48.783  59.287  1.00  3.77           C  
-ATOM    484  O   HIS H 203     -26.440 -48.211  60.200  1.00  3.82           O  
-ATOM    485  CB  HIS H 203     -28.579 -50.741  59.637  1.00  3.61           C  
-ATOM    486  CG  HIS H 203     -27.656 -51.284  60.687  1.00  3.64           C  
-ATOM    487  ND1 HIS H 203     -27.922 -51.188  62.036  1.00  3.51           N  
-ATOM    488  CD2 HIS H 203     -26.465 -51.922  60.584  1.00  3.47           C  
-ATOM    489  CE1 HIS H 203     -26.937 -51.744  62.719  1.00  3.40           C  
-ATOM    490  NE2 HIS H 203     -26.040 -52.197  61.862  1.00  3.42           N  
-ATOM    491  N   ILE H 204     -26.476 -49.053  58.110  1.00  3.83           N  
-ATOM    492  CA  ILE H 204     -25.080 -48.708  57.809  1.00  3.86           C  
-ATOM    493  C   ILE H 204     -24.799 -47.216  57.999  1.00  3.86           C  
-ATOM    494  O   ILE H 204     -23.775 -46.842  58.572  1.00  3.82           O  
-ATOM    495  CB  ILE H 204     -24.699 -49.113  56.365  1.00  3.84           C  
-ATOM    496  CG1 ILE H 204     -24.582 -50.638  56.245  1.00  4.20           C  
-ATOM    497  CG2 ILE H 204     -23.393 -48.462  55.948  1.00  4.04           C  
-ATOM    498  CD1 ILE H 204     -23.419 -51.249  57.030  1.00  4.55           C  
-ATOM    499  N   LEU H 205     -25.712 -46.372  57.523  1.00  3.93           N  
-ATOM    500  CA  LEU H 205     -25.573 -44.917  57.666  1.00  3.85           C  
-ATOM    501  C   LEU H 205     -25.572 -44.487  59.136  1.00  3.83           C  
-ATOM    502  O   LEU H 205     -24.804 -43.610  59.527  1.00  4.00           O  
-ATOM    503  CB  LEU H 205     -26.687 -44.183  56.906  1.00  3.82           C  
-ATOM    504  CG  LEU H 205     -26.648 -44.251  55.375  1.00  3.49           C  
-ATOM    505  CD1 LEU H 205     -27.841 -43.516  54.786  1.00  2.99           C  
-ATOM    506  CD2 LEU H 205     -25.348 -43.682  54.833  1.00  3.26           C  
-ATOM    507  N   LYS H 206     -26.425 -45.110  59.945  1.00  3.74           N  
-ATOM    508  CA  LYS H 206     -26.461 -44.828  61.382  1.00  3.75           C  
-ATOM    509  C   LYS H 206     -25.156 -45.232  62.087  1.00  3.66           C  
-ATOM    510  O   LYS H 206     -24.612 -44.466  62.880  1.00  3.55           O  
-ATOM    511  CB  LYS H 206     -27.653 -45.525  62.043  1.00  3.73           C  
-ATOM    512  CG  LYS H 206     -28.992 -44.868  61.759  1.00  3.92           C  
-ATOM    513  CD  LYS H 206     -30.136 -45.687  62.337  1.00  4.28           C  
-ATOM    514  CE  LYS H 206     -31.495 -45.190  61.867  1.00  4.74           C  
-ATOM    515  NZ  LYS H 206     -31.926 -43.957  62.567  1.00  5.15           N  
-ATOM    516  N   VAL H 207     -24.659 -46.428  61.786  1.00  3.64           N  
-ATOM    517  CA  VAL H 207     -23.431 -46.936  62.403  1.00  3.67           C  
-ATOM    518  C   VAL H 207     -22.238 -46.022  62.106  1.00  3.68           C  
-ATOM    519  O   VAL H 207     -21.447 -45.712  62.998  1.00  3.68           O  
-ATOM    520  CB  VAL H 207     -23.114 -48.375  61.934  1.00  3.65           C  
-ATOM    521  CG1 VAL H 207     -21.761 -48.830  62.465  1.00  3.83           C  
-ATOM    522  CG2 VAL H 207     -24.205 -49.335  62.383  1.00  3.61           C  
-ATOM    523  N   LEU H 208     -22.133 -45.581  60.853  1.00  3.64           N  
-ATOM    524  CA  LEU H 208     -21.065 -44.675  60.425  1.00  3.62           C  
-ATOM    525  C   LEU H 208     -21.253 -43.231  60.917  1.00  3.63           C  
-ATOM    526  O   LEU H 208     -20.362 -42.392  60.746  1.00  3.58           O  
-ATOM    527  CB  LEU H 208     -20.945 -44.688  58.895  1.00  3.56           C  
-ATOM    528  CG  LEU H 208     -20.434 -45.986  58.263  1.00  3.50           C  
-ATOM    529  CD1 LEU H 208     -20.627 -45.955  56.754  1.00  3.07           C  
-ATOM    530  CD2 LEU H 208     -18.967 -46.228  58.616  1.00  2.95           C  
-ATOM    531  N   GLY H 209     -22.410 -42.941  61.510  1.00  3.56           N  
-ATOM    532  CA  GLY H 209     -22.697 -41.613  62.055  1.00  3.50           C  
-ATOM    533  C   GLY H 209     -23.136 -40.602  61.010  1.00  3.48           C  
-ATOM    534  O   GLY H 209     -23.202 -39.405  61.288  1.00  3.20           O  
-ATOM    535  N   ILE H 210     -23.441 -41.084  59.806  1.00  3.54           N  
-ATOM    536  CA  ILE H 210     -23.891 -40.218  58.722  1.00  3.61           C  
-ATOM    537  C   ILE H 210     -25.277 -39.667  59.064  1.00  3.70           C  
-ATOM    538  O   ILE H 210     -25.548 -38.481  58.865  1.00  3.80           O  
-ATOM    539  CB  ILE H 210     -23.971 -40.965  57.375  1.00  3.59           C  
-ATOM    540  CG1 ILE H 210     -22.618 -41.587  56.991  1.00  4.13           C  
-ATOM    541  CG2 ILE H 210     -24.454 -40.027  56.279  1.00  3.70           C  
-ATOM    542  CD1 ILE H 210     -21.466 -40.609  56.914  1.00  4.38           C  
-ATOM    543  N   LEU H 211     -26.148 -40.540  59.568  1.00  3.61           N  
-ATOM    544  CA  LEU H 211     -27.458 -40.134  60.067  1.00  3.64           C  
-ATOM    545  C   LEU H 211     -27.509 -40.358  61.571  1.00  3.72           C  
-ATOM    546  O   LEU H 211     -26.851 -41.266  62.087  1.00  3.86           O  
-ATOM    547  CB  LEU H 211     -28.572 -40.935  59.395  1.00  3.56           C  
-ATOM    548  CG  LEU H 211     -28.714 -40.774  57.879  1.00  3.35           C  
-ATOM    549  CD1 LEU H 211     -29.779 -41.725  57.356  1.00  3.40           C  
-ATOM    550  CD2 LEU H 211     -29.041 -39.339  57.505  1.00  2.76           C  
-ATOM    551  N   PRO H 212     -28.285 -39.528  62.287  1.00  3.72           N  
-ATOM    552  CA  PRO H 212     -28.455 -39.759  63.717  1.00  3.67           C  
-ATOM    553  C   PRO H 212     -29.248 -41.036  63.978  1.00  3.70           C  
-ATOM    554  O   PRO H 212     -29.992 -41.494  63.106  1.00  3.63           O  
-ATOM    555  CB  PRO H 212     -29.238 -38.528  64.179  1.00  3.64           C  
-ATOM    556  CG  PRO H 212     -29.960 -38.063  62.970  1.00  3.60           C  
-ATOM    557  CD  PRO H 212     -29.051 -38.356  61.822  1.00  3.70           C  
-ATOM    558  N   PHE H 213     -29.089 -41.601  65.170  1.00  3.74           N  
-ATOM    559  CA  PHE H 213     -29.779 -42.843  65.539  1.00  3.81           C  
-ATOM    560  C   PHE H 213     -31.312 -42.705  65.462  1.00  3.88           C  
-ATOM    561  O   PHE H 213     -32.017 -43.698  65.276  1.00  3.80           O  
-ATOM    562  CB  PHE H 213     -29.350 -43.303  66.938  1.00  3.76           C  
-ATOM    563  CG  PHE H 213     -30.071 -42.602  68.057  1.00  3.92           C  
-ATOM    564  CD1 PHE H 213     -29.744 -41.296  68.403  1.00  3.88           C  
-ATOM    565  CD2 PHE H 213     -31.082 -43.250  68.762  1.00  3.89           C  
-ATOM    566  CE1 PHE H 213     -30.410 -40.645  69.430  1.00  4.03           C  
-ATOM    567  CE2 PHE H 213     -31.751 -42.609  69.794  1.00  3.98           C  
-ATOM    568  CZ  PHE H 213     -31.416 -41.303  70.130  1.00  4.17           C  
-ATOM    569  N   ASN H 214     -31.804 -41.473  65.606  1.00  4.02           N  
-ATOM    570  CA  ASN H 214     -33.236 -41.158  65.495  1.00  4.14           C  
-ATOM    571  C   ASN H 214     -33.793 -41.188  64.070  1.00  4.08           C  
-ATOM    572  O   ASN H 214     -35.010 -41.239  63.889  1.00  3.98           O  
-ATOM    573  CB  ASN H 214     -33.526 -39.769  66.090  1.00  4.26           C  
-ATOM    574  CG  ASN H 214     -33.759 -39.802  67.588  1.00  4.65           C  
-ATOM    575  OD1 ASN H 214     -33.758 -40.866  68.209  1.00  5.45           O  
-ATOM    576  ND2 ASN H 214     -33.975 -38.627  68.178  1.00  5.15           N  
-ATOM    577  N   ALA H 215     -32.914 -41.128  63.072  1.00  4.05           N  
-ATOM    578  CA  ALA H 215     -33.331 -41.084  61.664  1.00  4.07           C  
-ATOM    579  C   ALA H 215     -34.390 -42.158  61.347  1.00  4.04           C  
-ATOM    580  O   ALA H 215     -34.091 -43.356  61.384  1.00  3.98           O  
-ATOM    581  CB  ALA H 215     -32.121 -41.244  60.749  1.00  4.00           C  
-ATOM    582  N   PRO H 216     -35.631 -41.731  61.042  1.00  4.07           N  
-ATOM    583  CA  PRO H 216     -36.718 -42.689  60.798  1.00  4.13           C  
-ATOM    584  C   PRO H 216     -36.614 -43.369  59.430  1.00  4.11           C  
-ATOM    585  O   PRO H 216     -37.088 -44.494  59.258  1.00  4.31           O  
-ATOM    586  CB  PRO H 216     -37.977 -41.816  60.876  1.00  4.06           C  
-ATOM    587  CG  PRO H 216     -37.517 -40.465  60.434  1.00  4.11           C  
-ATOM    588  CD  PRO H 216     -36.073 -40.335  60.850  1.00  4.07           C  
-ATOM    589  N   SER H 217     -36.012 -42.668  58.474  1.00  4.04           N  
-ATOM    590  CA ASER H 217     -35.806 -43.185  57.125  0.50  3.97           C  
-ATOM    591  CA BSER H 217     -35.784 -43.202  57.135  0.50  4.02           C  
-ATOM    592  C   SER H 217     -34.718 -42.358  56.444  1.00  3.98           C  
-ATOM    593  O   SER H 217     -34.122 -41.477  57.066  1.00  3.99           O  
-ATOM    594  CB ASER H 217     -37.111 -43.110  56.327  0.50  3.92           C  
-ATOM    595  CB BSER H 217     -37.082 -43.194  56.324  0.50  3.98           C  
-ATOM    596  OG ASER H 217     -37.538 -41.767  56.174  0.50  3.71           O  
-ATOM    597  OG BSER H 217     -36.950 -43.992  55.164  0.50  4.09           O  
-ATOM    598  N   CYS H 218     -34.462 -42.636  55.169  1.00  3.96           N  
-ATOM    599  CA  CYS H 218     -33.499 -41.851  54.404  1.00  3.98           C  
-ATOM    600  C   CYS H 218     -33.737 -41.968  52.901  1.00  4.01           C  
-ATOM    601  O   CYS H 218     -33.644 -43.057  52.329  1.00  4.06           O  
-ATOM    602  CB  CYS H 218     -32.074 -42.282  54.735  1.00  3.96           C  
-ATOM    603  SG  CYS H 218     -30.815 -41.271  53.929  1.00  4.37           S  
-ATOM    604  N   GLY H 219     -34.043 -40.837  52.272  1.00  3.95           N  
-ATOM    605  CA  GLY H 219     -34.242 -40.785  50.830  1.00  3.89           C  
-ATOM    606  C   GLY H 219     -32.937 -40.918  50.062  1.00  3.91           C  
-ATOM    607  O   GLY H 219     -31.871 -40.535  50.555  1.00  3.84           O  
-ATOM    608  N   LEU H 220     -33.033 -41.467  48.853  1.00  3.87           N  
-ATOM    609  CA  LEU H 220     -31.888 -41.637  47.964  1.00  3.92           C  
-ATOM    610  C   LEU H 220     -32.182 -41.031  46.591  1.00  3.91           C  
-ATOM    611  O   LEU H 220     -33.323 -41.045  46.129  1.00  3.76           O  
-ATOM    612  CB  LEU H 220     -31.526 -43.119  47.818  1.00  3.93           C  
-ATOM    613  CG  LEU H 220     -30.824 -43.798  49.000  1.00  3.92           C  
-ATOM    614  CD1 LEU H 220     -30.617 -45.284  48.704  1.00  3.41           C  
-ATOM    615  CD2 LEU H 220     -29.496 -43.116  49.327  1.00  3.09           C  
-ATOM    616  N   ILE H 221     -31.138 -40.500  45.955  1.00  3.88           N  
-ATOM    617  CA  ILE H 221     -31.250 -39.847  44.653  1.00  3.89           C  
-ATOM    618  C   ILE H 221     -30.061 -40.253  43.777  1.00  3.87           C  
-ATOM    619  O   ILE H 221     -28.922 -40.286  44.247  1.00  3.87           O  
-ATOM    620  CB  ILE H 221     -31.299 -38.303  44.821  1.00  3.97           C  
-ATOM    621  CG1 ILE H 221     -31.624 -37.607  43.496  1.00  4.12           C  
-ATOM    622  CG2 ILE H 221     -29.985 -37.773  45.382  1.00  3.89           C  
-ATOM    623  CD1 ILE H 221     -31.885 -36.118  43.644  1.00  3.98           C  
-ATOM    624  N   THR H 222     -30.321 -40.574  42.513  1.00  3.82           N  
-ATOM    625  CA  THR H 222     -29.246 -40.986  41.606  1.00  3.85           C  
-ATOM    626  C   THR H 222     -28.336 -39.801  41.301  1.00  3.86           C  
-ATOM    627  O   THR H 222     -28.767 -38.646  41.366  1.00  3.92           O  
-ATOM    628  CB  THR H 222     -29.772 -41.565  40.273  1.00  3.83           C  
-ATOM    629  OG1 THR H 222     -30.317 -40.514  39.466  1.00  3.98           O  
-ATOM    630  CG2 THR H 222     -30.833 -42.627  40.522  1.00  3.81           C  
-ATOM    631  N   LEU H 223     -27.079 -40.092  40.974  1.00  3.87           N  
-ATOM    632  CA  LEU H 223     -26.110 -39.049  40.631  1.00  3.85           C  
-ATOM    633  C   LEU H 223     -26.593 -38.210  39.453  1.00  3.83           C  
-ATOM    634  O   LEU H 223     -26.514 -36.984  39.485  1.00  3.91           O  
-ATOM    635  CB  LEU H 223     -24.748 -39.665  40.298  1.00  3.88           C  
-ATOM    636  CG  LEU H 223     -23.618 -38.685  39.957  1.00  3.81           C  
-ATOM    637  CD1 LEU H 223     -23.474 -37.614  41.029  1.00  3.41           C  
-ATOM    638  CD2 LEU H 223     -22.312 -39.436  39.764  1.00  3.58           C  
-ATOM    639  N   THR H 224     -27.101 -38.884  38.425  1.00  3.85           N  
-ATOM    640  CA ATHR H 224     -27.591 -38.212  37.221  0.50  3.87           C  
-ATOM    641  CA BTHR H 224     -27.590 -38.213  37.223  0.50  3.83           C  
-ATOM    642  C   THR H 224     -28.776 -37.292  37.530  1.00  3.84           C  
-ATOM    643  O   THR H 224     -28.870 -36.193  36.985  1.00  3.92           O  
-ATOM    644  CB ATHR H 224     -27.970 -39.225  36.107  0.50  3.88           C  
-ATOM    645  CB BTHR H 224     -27.984 -39.234  36.141  0.50  3.83           C  
-ATOM    646  OG1ATHR H 224     -28.371 -38.519  34.924  0.50  3.87           O  
-ATOM    647  OG1BTHR H 224     -26.906 -40.160  35.947  0.50  3.66           O  
-ATOM    648  CG2ATHR H 224     -29.100 -40.148  36.554  0.50  3.94           C  
-ATOM    649  CG2BTHR H 224     -28.294 -38.534  34.823  0.50  3.80           C  
-ATOM    650  N   ASP H 225     -29.676 -37.738  38.405  1.00  3.81           N  
-ATOM    651  CA  ASP H 225     -30.801 -36.901  38.838  1.00  3.78           C  
-ATOM    652  C   ASP H 225     -30.312 -35.769  39.746  1.00  3.70           C  
-ATOM    653  O   ASP H 225     -30.789 -34.638  39.646  1.00  3.72           O  
-ATOM    654  CB  ASP H 225     -31.870 -37.730  39.566  1.00  3.79           C  
-ATOM    655  CG  ASP H 225     -32.782 -38.506  38.610  1.00  4.20           C  
-ATOM    656  OD1 ASP H 225     -32.538 -38.510  37.380  1.00  4.60           O  
-ATOM    657  OD2 ASP H 225     -33.760 -39.114  39.098  1.00  4.08           O  
-ATOM    658  N   ALA H 226     -29.366 -36.076  40.632  1.00  3.61           N  
-ATOM    659  CA  ALA H 226     -28.790 -35.069  41.530  1.00  3.53           C  
-ATOM    660  C   ALA H 226     -28.165 -33.922  40.737  1.00  3.47           C  
-ATOM    661  O   ALA H 226     -28.354 -32.752  41.070  1.00  3.47           O  
-ATOM    662  CB  ALA H 226     -27.760 -35.703  42.449  1.00  3.46           C  
-ATOM    663  N   GLN H 227     -27.431 -34.267  39.683  1.00  3.39           N  
-ATOM    664  CA  GLN H 227     -26.848 -33.273  38.779  1.00  3.45           C  
-ATOM    665  C   GLN H 227     -27.915 -32.420  38.086  1.00  3.44           C  
-ATOM    666  O   GLN H 227     -27.735 -31.214  37.928  1.00  3.43           O  
-ATOM    667  CB  GLN H 227     -25.956 -33.956  37.739  1.00  3.43           C  
-ATOM    668  CG  GLN H 227     -24.658 -34.498  38.329  1.00  3.59           C  
-ATOM    669  CD  GLN H 227     -23.882 -35.380  37.366  1.00  3.84           C  
-ATOM    670  OE1 GLN H 227     -24.464 -36.155  36.601  1.00  4.04           O  
-ATOM    671  NE2 GLN H 227     -22.558 -35.274  37.407  1.00  3.53           N  
-ATOM    672  N   ARG H 228     -29.017 -33.049  37.681  1.00  3.43           N  
-ATOM    673  CA  ARG H 228     -30.165 -32.330  37.113  1.00  3.49           C  
-ATOM    674  C   ARG H 228     -30.740 -31.322  38.098  1.00  3.43           C  
-ATOM    675  O   ARG H 228     -31.057 -30.190  37.730  1.00  3.40           O  
-ATOM    676  CB  ARG H 228     -31.285 -33.298  36.709  1.00  3.55           C  
-ATOM    677  CG  ARG H 228     -31.206 -33.827  35.298  1.00  3.67           C  
-ATOM    678  CD  ARG H 228     -32.503 -34.557  34.922  1.00  4.00           C  
-ATOM    679  NE  ARG H 228     -32.590 -34.818  33.488  1.00  3.99           N  
-ATOM    680  CZ  ARG H 228     -32.862 -33.896  32.567  1.00  4.62           C  
-ATOM    681  NH1 ARG H 228     -33.080 -32.630  32.910  1.00  4.90           N  
-ATOM    682  NH2 ARG H 228     -32.915 -34.240  31.285  1.00  5.04           N  
-ATOM    683  N   LEU H 229     -30.899 -31.752  39.344  1.00  3.46           N  
-ATOM    684  CA  LEU H 229     -31.454 -30.893  40.385  1.00  3.54           C  
-ATOM    685  C   LEU H 229     -30.532 -29.704  40.627  1.00  3.58           C  
-ATOM    686  O   LEU H 229     -30.984 -28.561  40.687  1.00  3.52           O  
-ATOM    687  CB  LEU H 229     -31.651 -31.683  41.679  1.00  3.51           C  
-ATOM    688  CG  LEU H 229     -32.385 -30.969  42.815  1.00  3.48           C  
-ATOM    689  CD1 LEU H 229     -33.804 -30.617  42.410  1.00  3.23           C  
-ATOM    690  CD2 LEU H 229     -32.390 -31.838  44.061  1.00  3.52           C  
-ATOM    691  N   CYS H 230     -29.238 -29.990  40.755  1.00  3.68           N  
-ATOM    692  CA  CYS H 230     -28.223 -28.955  40.959  1.00  3.78           C  
-ATOM    693  C   CYS H 230     -28.109 -28.028  39.751  1.00  3.71           C  
-ATOM    694  O   CYS H 230     -27.980 -26.818  39.916  1.00  3.74           O  
-ATOM    695  CB  CYS H 230     -26.864 -29.586  41.269  1.00  3.80           C  
-ATOM    696  SG  CYS H 230     -26.829 -30.517  42.830  1.00  4.43           S  
-ATOM    697  N   ASN H 231     -28.160 -28.595  38.546  1.00  3.64           N  
-ATOM    698  CA  ASN H 231     -28.167 -27.792  37.318  1.00  3.58           C  
-ATOM    699  C   ASN H 231     -29.403 -26.901  37.222  1.00  3.51           C  
-ATOM    700  O   ASN H 231     -29.319 -25.772  36.747  1.00  3.52           O  
-ATOM    701  CB  ASN H 231     -28.081 -28.682  36.067  1.00  3.54           C  
-ATOM    702  CG  ASN H 231     -26.663 -29.143  35.762  1.00  3.48           C  
-ATOM    703  OD1 ASN H 231     -25.708 -28.763  36.442  1.00  3.75           O  
-ATOM    704  ND2 ASN H 231     -26.521 -29.966  34.728  1.00  2.81           N  
-ATOM    705  N   ALA H 232     -30.542 -27.411  37.681  1.00  3.47           N  
-ATOM    706  CA  ALA H 232     -31.807 -26.684  37.603  1.00  3.47           C  
-ATOM    707  C   ALA H 232     -31.847 -25.492  38.553  1.00  3.44           C  
-ATOM    708  O   ALA H 232     -32.331 -24.420  38.195  1.00  3.41           O  
-ATOM    709  CB  ALA H 232     -32.972 -27.624  37.888  1.00  3.45           C  
-ATOM    710  N   LEU H 233     -31.333 -25.684  39.762  1.00  3.51           N  
-ATOM    711  CA  LEU H 233     -31.386 -24.654  40.800  1.00  3.53           C  
-ATOM    712  C   LEU H 233     -30.234 -23.658  40.707  1.00  3.49           C  
-ATOM    713  O   LEU H 233     -30.444 -22.456  40.858  1.00  3.44           O  
-ATOM    714  CB  LEU H 233     -31.406 -25.305  42.186  1.00  3.55           C  
-ATOM    715  CG  LEU H 233     -32.703 -26.050  42.515  1.00  3.53           C  
-ATOM    716  CD1 LEU H 233     -32.505 -26.997  43.687  1.00  3.53           C  
-ATOM    717  CD2 LEU H 233     -33.827 -25.067  42.800  1.00  3.39           C  
-ATOM    718  N   LEU H 234     -29.026 -24.162  40.459  1.00  3.56           N  
-ATOM    719  CA  LEU H 234     -27.815 -23.327  40.436  1.00  3.60           C  
-ATOM    720  C   LEU H 234     -27.520 -22.703  39.070  1.00  3.65           C  
-ATOM    721  O   LEU H 234     -26.887 -21.649  39.005  1.00  3.67           O  
-ATOM    722  CB  LEU H 234     -26.588 -24.134  40.883  1.00  3.59           C  
-ATOM    723  CG  LEU H 234     -26.687 -24.912  42.197  1.00  3.49           C  
-ATOM    724  CD1 LEU H 234     -25.444 -25.769  42.387  1.00  3.24           C  
-ATOM    725  CD2 LEU H 234     -26.891 -23.974  43.373  1.00  3.42           C  
-ATOM    726  N   ARG H 235     -27.967 -23.349  37.990  1.00  3.67           N  
-ATOM    727  CA  ARG H 235     -27.633 -22.916  36.626  1.00  3.67           C  
-ATOM    728  C   ARG H 235     -28.846 -22.918  35.684  1.00  3.67           C  
-ATOM    729  O   ARG H 235     -28.879 -23.681  34.715  1.00  3.58           O  
-ATOM    730  CB  ARG H 235     -26.517 -23.800  36.051  1.00  3.65           C  
-ATOM    731  CG  ARG H 235     -25.163 -23.599  36.708  1.00  3.67           C  
-ATOM    732  CD  ARG H 235     -24.111 -24.537  36.132  1.00  3.72           C  
-ATOM    733  NE  ARG H 235     -24.242 -25.906  36.633  1.00  3.82           N  
-ATOM    734  CZ  ARG H 235     -23.860 -26.319  37.842  1.00  3.91           C  
-ATOM    735  NH1 ARG H 235     -23.319 -25.475  38.718  1.00  3.96           N  
-ATOM    736  NH2 ARG H 235     -24.028 -27.590  38.187  1.00  3.99           N  
-ATOM    737  N   PRO H 236     -29.841 -22.052  35.955  1.00  3.70           N  
-ATOM    738  CA  PRO H 236     -31.032 -21.959  35.105  1.00  3.73           C  
-ATOM    739  C   PRO H 236     -30.751 -21.571  33.647  1.00  3.83           C  
-ATOM    740  O   PRO H 236     -29.616 -21.251  33.292  1.00  3.85           O  
-ATOM    741  CB  PRO H 236     -31.887 -20.887  35.800  1.00  3.71           C  
-ATOM    742  CG  PRO H 236     -30.973 -20.186  36.729  1.00  3.71           C  
-ATOM    743  CD  PRO H 236     -29.957 -21.192  37.144  1.00  3.71           C  
-ATOM    744  N   ARG H 237     -31.806 -21.593  32.835  1.00  3.91           N  
-ATOM    745  CA  ARG H 237     -31.730 -21.425  31.375  1.00  3.97           C  
-ATOM    746  C   ARG H 237     -30.567 -22.201  30.749  1.00  3.99           C  
-ATOM    747  O   ARG H 237     -30.737 -23.343  30.316  1.00  4.01           O  
-ATOM    748  CB  ARG H 237     -31.699 -19.943  30.967  1.00  3.97           C  
-ATOM    749  CG  ARG H 237     -30.493 -19.140  31.434  1.00  4.12           C  
-ATOM    750  CD  ARG H 237     -30.518 -17.734  30.857  1.00  4.27           C  
-ATOM    751  NE  ARG H 237     -30.346 -17.732  29.403  1.00  4.39           N  
-ATOM    752  CZ  ARG H 237     -29.173 -17.726  28.770  1.00  4.48           C  
-ATOM    753  NH1 ARG H 237     -28.026 -17.731  29.446  1.00  4.52           N  
-ATOM    754  NH2 ARG H 237     -29.145 -17.719  27.441  1.00  4.55           N  

Deleted: SwiftApps/modFTDock/input/3h8q-2.pdb
===================================================================
--- SwiftApps/modFTDock/input/3h8q-2.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/3h8q-2.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,813 +0,0 @@
-ATOM      1  N   ARG B 163      24.569  42.725 -17.540  1.00 63.32           N  
-ATOM      2  CA  ARG B 163      24.171  41.359 -17.979  1.00 61.22           C  
-ATOM      3  C   ARG B 163      22.917  40.922 -17.231  1.00 59.94           C  
-ATOM      4  O   ARG B 163      22.967  40.657 -16.026  1.00 59.68           O  
-ATOM      5  CB  ARG B 163      25.311  40.366 -17.740  1.00 55.90           C  
-ATOM      6  N   GLU B 164      21.801  40.851 -17.958  1.00 57.39           N  
-ATOM      7  CA  GLU B 164      20.491  40.541 -17.373  1.00 54.35           C  
-ATOM      8  C   GLU B 164      20.376  39.097 -16.856  1.00 50.37           C  
-ATOM      9  O   GLU B 164      19.728  38.843 -15.820  1.00 48.25           O  
-ATOM     10  CB  GLU B 164      19.374  40.829 -18.385  1.00 53.98           C  
-ATOM     11  N   GLU B 165      21.006  38.168 -17.578  1.00 45.76           N  
-ATOM     12  CA  GLU B 165      20.995  36.750 -17.214  1.00 43.22           C  
-ATOM     13  C   GLU B 165      21.886  36.449 -16.016  1.00 37.01           C  
-ATOM     14  O   GLU B 165      21.534  35.586 -15.206  1.00 32.75           O  
-ATOM     15  CB  GLU B 165      21.404  35.870 -18.404  1.00 46.34           C  
-ATOM     16  CG  GLU B 165      20.364  35.860 -19.536  1.00 58.58           C  
-ATOM     17  CD  GLU B 165      20.939  35.469 -20.898  1.00 69.58           C  
-ATOM     18  OE1 GLU B 165      22.043  34.879 -20.950  1.00 74.69           O  
-ATOM     19  OE2 GLU B 165      20.278  35.747 -21.922  1.00 73.63           O  
-ATOM     20  N   LEU B 166      23.029  37.137 -15.913  1.00 30.68           N  
-ATOM     21  CA  LEU B 166      23.909  37.020 -14.751  1.00 33.20           C  
-ATOM     22  C   LEU B 166      23.200  37.539 -13.457  1.00 33.31           C  
-ATOM     23  O   LEU B 166      23.140  36.845 -12.436  1.00 29.46           O  
-ATOM     24  CB  LEU B 166      25.205  37.800 -15.000  1.00 33.96           C  
-ATOM     25  CG  LEU B 166      26.304  37.727 -13.934  1.00 41.36           C  
-ATOM     26  CD1 LEU B 166      26.685  36.269 -13.590  1.00 33.34           C  
-ATOM     27  CD2 LEU B 166      27.510  38.544 -14.407  1.00 38.88           C  
-ATOM     28  N   ARG B 167      22.662  38.756 -13.525  1.00 31.25           N  
-ATOM     29  CA  ARG B 167      21.870  39.314 -12.418  1.00 32.74           C  
-ATOM     30  C   ARG B 167      20.887  38.288 -11.931  1.00 30.97           C  
-ATOM     31  O   ARG B 167      20.812  38.018 -10.720  1.00 29.44           O  
-ATOM     32  CB  ARG B 167      21.090  40.536 -12.858  1.00 35.51           C  
-ATOM     33  CG  ARG B 167      21.709  41.865 -12.464  1.00 46.66           C  
-ATOM     34  CD  ARG B 167      20.837  43.019 -12.935  1.00 56.85           C  
-ATOM     35  NE  ARG B 167      21.595  44.055 -13.643  1.00 67.52           N  
-ATOM     36  CZ  ARG B 167      22.359  44.977 -13.058  1.00 72.92           C  
-ATOM     37  NH1 ARG B 167      22.491  45.014 -11.736  1.00 73.25           N  
-ATOM     38  NH2 ARG B 167      23.003  45.867 -13.806  1.00 73.52           N  
-ATOM     39  N   ARG B 168      20.147  37.714 -12.884  1.00 27.98           N  
-ATOM     40  CA  ARG B 168      19.118  36.729 -12.585  1.00 28.71           C  
-ATOM     41  C   ARG B 168      19.693  35.468 -11.896  1.00 29.91           C  
-ATOM     42  O   ARG B 168      19.076  34.921 -10.988  1.00 31.96           O  
-ATOM     43  CB  ARG B 168      18.381  36.348 -13.875  1.00 29.34           C  
-ATOM     44  CG  ARG B 168      17.156  35.443 -13.677  1.00 37.34           C  
-ATOM     45  CD  ARG B 168      16.516  35.048 -15.027  1.00 49.62           C  
-ATOM     46  NE  ARG B 168      16.114  36.219 -15.821  1.00 62.12           N  
-ATOM     47  CZ  ARG B 168      15.780  36.206 -17.120  1.00 72.90           C  
-ATOM     48  NH1 ARG B 168      15.784  35.075 -17.834  1.00 73.52           N  
-ATOM     49  NH2 ARG B 168      15.433  37.347 -17.717  1.00 71.58           N  
-ATOM     50  N   HIS B 169      20.859  34.992 -12.338  1.00 29.88           N  
-ATOM     51  CA  HIS B 169      21.443  33.782 -11.751  1.00 30.59           C  
-ATOM     52  C   HIS B 169      21.950  34.087 -10.343  1.00 28.96           C  
-ATOM     53  O   HIS B 169      21.870  33.239  -9.487  1.00 32.13           O  
-ATOM     54  CB  HIS B 169      22.617  33.242 -12.597  1.00 29.89           C  
-ATOM     55  CG  HIS B 169      22.201  32.564 -13.866  1.00 32.94           C  
-ATOM     56  ND1 HIS B 169      22.835  32.784 -15.068  1.00 32.02           N  
-ATOM     57  CD2 HIS B 169      21.225  31.659 -14.116  1.00 32.73           C  
-ATOM     58  CE1 HIS B 169      22.260  32.056 -16.006  1.00 37.85           C  
-ATOM     59  NE2 HIS B 169      21.288  31.357 -15.452  1.00 26.27           N  
-ATOM     60  N   LEU B 170      22.502  35.283 -10.133  1.00 26.95           N  
-ATOM     61  CA  LEU B 170      23.016  35.680  -8.809  1.00 25.35           C  
-ATOM     62  C   LEU B 170      21.880  35.781  -7.804  1.00 25.22           C  
-ATOM     63  O   LEU B 170      21.984  35.313  -6.652  1.00 31.34           O  
-ATOM     64  CB  LEU B 170      23.752  37.021  -8.870  1.00 21.92           C  
-ATOM     65  CG  LEU B 170      25.142  36.957  -9.476  1.00 30.21           C  
-ATOM     66  CD1 LEU B 170      25.698  38.360  -9.803  1.00 24.54           C  
-ATOM     67  CD2 LEU B 170      26.083  36.185  -8.523  1.00 29.33           C  
-ATOM     68  N   VAL B 171      20.791  36.392  -8.233  1.00 24.21           N  
-ATOM     69  CA  VAL B 171      19.591  36.492  -7.399  1.00 22.83           C  
-ATOM     70  C   VAL B 171      19.019  35.097  -7.084  1.00 28.34           C  
-ATOM     71  O   VAL B 171      18.635  34.834  -5.936  1.00 29.94           O  
-ATOM     72  CB  VAL B 171      18.519  37.377  -8.077  1.00 29.09           C  
-ATOM     73  CG1 VAL B 171      17.112  37.282  -7.381  1.00 29.10           C  
-ATOM     74  CG2 VAL B 171      18.998  38.814  -8.112  1.00 22.96           C  
-ATOM     75  N   GLY B 172      18.982  34.204  -8.085  1.00 25.82           N  
-ATOM     76  CA  GLY B 172      18.471  32.836  -7.870  1.00 22.74           C  
-ATOM     77  C   GLY B 172      19.303  32.048  -6.850  1.00 25.47           C  
-ATOM     78  O   GLY B 172      18.765  31.333  -5.999  1.00 25.24           O  
-ATOM     79  N   LEU B 173      20.619  32.157  -6.961  1.00 25.35           N  
-ATOM     80  CA  LEU B 173      21.547  31.557  -5.993  1.00 28.99           C  
-ATOM     81  C   LEU B 173      21.227  31.999  -4.539  1.00 27.61           C  
-ATOM     82  O   LEU B 173      21.135  31.170  -3.625  1.00 25.08           O  
-ATOM     83  CB  LEU B 173      22.982  31.959  -6.345  1.00 27.63           C  
-ATOM     84  CG  LEU B 173      24.154  31.347  -5.558  1.00 39.78           C  
-ATOM     85  CD1 LEU B 173      24.077  29.778  -5.307  1.00 34.35           C  
-ATOM     86  CD2 LEU B 173      25.459  31.729  -6.345  1.00 28.08           C  
-ATOM     87  N   ILE B 174      21.003  33.296  -4.356  1.00 26.90           N  
-ATOM     88  CA  ILE B 174      20.699  33.880  -3.036  1.00 23.72           C  
-ATOM     89  C   ILE B 174      19.356  33.408  -2.506  1.00 29.46           C  
-ATOM     90  O   ILE B 174      19.223  33.063  -1.303  1.00 30.86           O  
-ATOM     91  CB  ILE B 174      20.713  35.423  -3.103  1.00 22.24           C  
-ATOM     92  CG1 ILE B 174      22.125  35.914  -3.389  1.00 24.70           C  
-ATOM     93  CG2 ILE B 174      20.219  36.045  -1.805  1.00 25.35           C  
-ATOM     94  CD1 ILE B 174      22.234  37.470  -3.709  1.00 18.44           C  
-ATOM     95  N   GLU B 175      18.379  33.379  -3.410  1.00 27.78           N  
-ATOM     96  CA  GLU B 175      17.019  32.968  -3.098  1.00 29.09           C  
-ATOM     97  C   GLU B 175      16.923  31.496  -2.681  1.00 26.82           C  
-ATOM     98  O   GLU B 175      16.150  31.153  -1.796  1.00 31.93           O  
-ATOM     99  CB  GLU B 175      16.065  33.267  -4.282  1.00 32.47           C  
-ATOM    100  CG  GLU B 175      15.687  34.740  -4.416  1.00 40.89           C  
-ATOM    101  CD  GLU B 175      14.581  34.981  -5.456  1.00 52.89           C  
-ATOM    102  OE1 GLU B 175      14.804  34.810  -6.694  1.00 41.74           O  
-ATOM    103  OE2 GLU B 175      13.482  35.354  -5.019  1.00 53.70           O  
-ATOM    104  N   ARG B 176      17.730  30.640  -3.275  1.00 24.95           N  
-ATOM    105  CA  ARG B 176      17.648  29.212  -3.017  1.00 27.35           C  
-ATOM    106  C   ARG B 176      18.534  28.716  -1.856  1.00 27.05           C  
-ATOM    107  O   ARG B 176      18.432  27.551  -1.471  1.00 29.73           O  
-ATOM    108  CB  ARG B 176      17.981  28.425  -4.286  1.00 29.47           C  
-ATOM    109  N   SER B 177      19.373  29.587  -1.302  1.00 24.10           N  
-ATOM    110  CA  SER B 177      20.427  29.170  -0.382  1.00 22.83           C  
-ATOM    111  C   SER B 177      20.128  29.610   1.029  1.00 19.89           C  
-ATOM    112  O   SER B 177      19.851  30.768   1.289  1.00 23.44           O  
-ATOM    113  CB  SER B 177      21.788  29.786  -0.734  1.00 24.66           C  
-ATOM    114  OG  SER B 177      22.242  29.478  -2.028  1.00 24.91           O  
-ATOM    115  N   ARG B 178      20.285  28.681   1.954  1.00 20.53           N  
-ATOM    116  CA  ARG B 178      20.273  29.026   3.356  1.00 19.28           C  
-ATOM    117  C   ARG B 178      21.418  29.976   3.764  1.00 16.00           C  
-ATOM    118  O   ARG B 178      21.194  30.967   4.494  1.00 18.53           O  
-ATOM    119  CB  ARG B 178      20.294  27.759   4.181  1.00 20.84           C  
-ATOM    120  CG  ARG B 178      20.199  28.058   5.645  1.00 29.09           C  
-ATOM    121  CD  ARG B 178      20.237  26.769   6.388  1.00 35.91           C  
-ATOM    122  NE  ARG B 178      19.799  26.962   7.755  1.00 33.38           N  
-ATOM    123  CZ  ARG B 178      20.282  26.291   8.788  1.00 33.35           C  
-ATOM    124  NH1 ARG B 178      21.225  25.362   8.623  1.00 27.23           N  
-ATOM    125  NH2 ARG B 178      19.820  26.556   9.999  1.00 26.10           N  
-ATOM    126  N   VAL B 179      22.620  29.669   3.307  1.00 16.38           N  
-ATOM    127  CA  VAL B 179      23.770  30.590   3.396  1.00 14.69           C  
-ATOM    128  C   VAL B 179      24.501  30.603   2.070  1.00 15.00           C  
-ATOM    129  O   VAL B 179      24.815  29.557   1.530  1.00 18.01           O  
-ATOM    130  CB  VAL B 179      24.790  30.173   4.430  1.00 17.08           C  
-ATOM    131  CG1 VAL B 179      25.921  31.224   4.454  1.00 14.05           C  
-ATOM    132  CG2 VAL B 179      24.136  30.013   5.807  1.00 13.48           C  
-ATOM    133  N   VAL B 180      24.754  31.779   1.538  1.00 16.60           N  
-ATOM    134  CA  VAL B 180      25.664  31.910   0.405  1.00 18.60           C  
-ATOM    135  C   VAL B 180      26.757  32.894   0.798  1.00 19.07           C  
-ATOM    136  O   VAL B 180      26.464  33.939   1.386  1.00 20.62           O  
-ATOM    137  CB  VAL B 180      24.957  32.298  -0.926  1.00 20.98           C  
-ATOM    138  CG1 VAL B 180      24.119  33.509  -0.781  1.00 25.29           C  
-ATOM    139  CG2 VAL B 180      26.002  32.480  -2.045  1.00 24.65           C  
-ATOM    140  N   ILE B 181      28.016  32.505   0.531  1.00 18.18           N  
-ATOM    141  CA  ILE B 181      29.192  33.344   0.751  1.00 15.96           C  
-ATOM    142  C   ILE B 181      29.842  33.572  -0.608  1.00 18.95           C  
-ATOM    143  O   ILE B 181      30.262  32.629  -1.269  1.00 21.13           O  
-ATOM    144  CB  ILE B 181      30.249  32.660   1.691  1.00 15.42           C  
-ATOM    145  CG1 ILE B 181      29.602  32.158   2.976  1.00 19.87           C  
-ATOM    146  CG2 ILE B 181      31.446  33.614   1.978  1.00 16.95           C  
-ATOM    147  CD1 ILE B 181      30.464  31.093   3.751  1.00 19.93           C  
-ATOM    148  N   PHE B 182      29.870  34.829  -1.032  1.00 19.82           N  
-ATOM    149  CA  PHE B 182      30.632  35.266  -2.179  1.00 18.37           C  
-ATOM    150  C   PHE B 182      32.009  35.593  -1.646  1.00 21.72           C  
-ATOM    151  O   PHE B 182      32.180  36.452  -0.787  1.00 25.49           O  
-ATOM    152  CB  PHE B 182      29.961  36.474  -2.780  1.00 22.04           C  
-ATOM    153  CG  PHE B 182      28.596  36.172  -3.351  1.00 22.48           C  
-ATOM    154  CD1 PHE B 182      28.472  35.642  -4.640  1.00 24.84           C  
-ATOM    155  CD2 PHE B 182      27.438  36.404  -2.605  1.00 24.22           C  
-ATOM    156  CE1 PHE B 182      27.207  35.369  -5.196  1.00 24.16           C  
-ATOM    157  CE2 PHE B 182      26.180  36.119  -3.141  1.00 20.90           C  
-ATOM    158  CZ  PHE B 182      26.062  35.610  -4.441  1.00 26.87           C  
-ATOM    159  N   SER B 183      32.981  34.846  -2.129  1.00 20.29           N  
-ATOM    160  CA  SER B 183      34.261  34.681  -1.470  1.00 20.65           C  
-ATOM    161  C   SER B 183      35.420  34.829  -2.466  1.00 26.54           C  
-ATOM    162  O   SER B 183      35.221  34.915  -3.692  1.00 23.51           O  
-ATOM    163  CB  SER B 183      34.306  33.269  -0.893  1.00 23.15           C  
-ATOM    164  OG  SER B 183      35.591  32.886  -0.439  1.00 30.77           O  
-ATOM    165  N   LYS B 184      36.631  34.849  -1.917  1.00 30.82           N  
-ATOM    166  CA  LYS B 184      37.838  34.603  -2.704  1.00 32.68           C  
-ATOM    167  C   LYS B 184      38.713  33.528  -2.033  1.00 33.41           C  
-ATOM    168  O   LYS B 184      38.880  33.519  -0.816  1.00 31.30           O  
-ATOM    169  CB  LYS B 184      38.608  35.900  -2.968  1.00 30.90           C  
-ATOM    170  CG  LYS B 184      38.032  36.662  -4.167  1.00 36.15           C  
-ATOM    171  CD  LYS B 184      38.486  38.126  -4.248  1.00 37.64           C  
-ATOM    172  CE  LYS B 184      37.681  38.881  -5.331  1.00 39.76           C  
-ATOM    173  NZ  LYS B 184      37.909  40.369  -5.323  1.00 48.93           N  
-ATOM    174  N   SER B 185      39.206  32.604  -2.860  1.00 36.04           N  
-ATOM    175  CA  SER B 185      39.902  31.383  -2.422  1.00 39.77           C  
-ATOM    176  C   SER B 185      41.054  31.639  -1.444  1.00 39.10           C  
-ATOM    177  O   SER B 185      41.361  30.792  -0.597  1.00 41.06           O  
-ATOM    178  CB  SER B 185      40.468  30.633  -3.643  1.00 40.52           C  
-ATOM    179  OG  SER B 185      39.463  29.872  -4.292  1.00 48.82           O  
-ATOM    180  N   TYR B 186      41.694  32.798  -1.572  1.00 37.50           N  
-ATOM    181  CA  TYR B 186      42.915  33.102  -0.823  1.00 41.66           C  
-ATOM    182  C   TYR B 186      42.700  34.083   0.347  1.00 43.27           C  
-ATOM    183  O   TYR B 186      43.633  34.382   1.119  1.00 43.54           O  
-ATOM    184  CB  TYR B 186      43.965  33.671  -1.796  1.00 43.41           C  
-ATOM    185  CG  TYR B 186      43.464  34.902  -2.536  0.80 38.73           C  
-ATOM    186  CD1 TYR B 186      43.481  36.151  -1.916  0.80 37.01           C  
-ATOM    187  CD2 TYR B 186      42.938  34.815  -3.842  0.80 35.14           C  
-ATOM    188  CE1 TYR B 186      43.011  37.280  -2.568  0.80 35.38           C  
-ATOM    189  CE2 TYR B 186      42.462  35.953  -4.497  0.80 35.04           C  
-ATOM    190  CZ  TYR B 186      42.511  37.181  -3.844  0.80 24.24           C  
-ATOM    191  OH  TYR B 186      42.058  38.328  -4.459  0.80 37.08           O  
-ATOM    192  N   CYS B 187      41.468  34.577   0.471  1.00 43.22           N  
-ATOM    193  CA  CYS B 187      41.115  35.634   1.425  1.00 41.72           C  
-ATOM    194  C   CYS B 187      40.915  35.073   2.845  1.00 40.00           C  
-ATOM    195  O   CYS B 187      40.122  34.152   3.038  1.00 40.40           O  
-ATOM    196  CB  CYS B 187      39.841  36.324   0.926  1.00 43.29           C  
-ATOM    197  SG  CYS B 187      39.193  37.642   1.953  1.00 37.90           S  
-ATOM    198  N   PRO B 188      41.643  35.610   3.839  1.00 37.09           N  
-ATOM    199  CA  PRO B 188      41.536  35.077   5.203  1.00 35.87           C  
-ATOM    200  C   PRO B 188      40.285  35.550   5.936  1.00 33.54           C  
-ATOM    201  O   PRO B 188      39.863  34.909   6.896  1.00 34.04           O  
-ATOM    202  CB  PRO B 188      42.788  35.617   5.902  1.00 36.52           C  
-ATOM    203  CG  PRO B 188      43.144  36.854   5.157  1.00 38.61           C  
-ATOM    204  CD  PRO B 188      42.671  36.663   3.735  1.00 39.44           C  
-ATOM    205  N   HIS B 189      39.697  36.663   5.501  1.00 30.86           N  
-ATOM    206  CA  HIS B 189      38.359  37.037   5.987  1.00 31.52           C  
-ATOM    207  C   HIS B 189      37.323  35.990   5.541  1.00 29.49           C  
-ATOM    208  O   HIS B 189      36.558  35.501   6.372  1.00 25.47           O  
-ATOM    209  CB  HIS B 189      37.961  38.415   5.503  1.00 29.71           C  
-ATOM    210  CG  HIS B 189      38.779  39.510   6.096  1.00 37.23           C  
-ATOM    211  ND1 HIS B 189      38.411  40.165   7.251  1.00 52.16           N  
-ATOM    212  CD2 HIS B 189      39.952  40.058   5.706  1.00 47.34           C  
-ATOM    213  CE1 HIS B 189      39.317  41.081   7.540  1.00 53.84           C  
-ATOM    214  NE2 HIS B 189      40.263  41.036   6.619  1.00 51.05           N  
-ATOM    215  N   SER B 190      37.358  35.634   4.247  1.00 26.35           N  
-ATOM    216  CA  SER B 190      36.526  34.558   3.667  1.00 24.72           C  
-ATOM    217  C   SER B 190      36.735  33.231   4.394  1.00 24.19           C  
-ATOM    218  O   SER B 190      35.779  32.615   4.810  1.00 25.92           O  
-ATOM    219  CB  SER B 190      36.842  34.362   2.168  1.00 25.93           C  
-ATOM    220  OG  SER B 190      36.616  35.537   1.426  1.00 24.46           O  
-ATOM    221  N   THR B 191      37.987  32.816   4.557  1.00 25.33           N  
-ATOM    222  CA  THR B 191      38.343  31.590   5.282  1.00 27.78           C  
-ATOM    223  C   THR B 191      37.779  31.588   6.699  1.00 26.02           C  
-ATOM    224  O   THR B 191      37.262  30.582   7.174  1.00 23.84           O  
-ATOM    225  CB  THR B 191      39.884  31.423   5.331  1.00 30.06           C  
-ATOM    226  OG1 THR B 191      40.371  31.312   3.981  1.00 31.46           O  
-ATOM    227  CG2 THR B 191      40.324  30.185   6.184  1.00 26.69           C  
-ATOM    228  N   ARG B 192      37.857  32.736   7.356  1.00 24.38           N  
-ATOM    229  CA  ARG B 192      37.374  32.855   8.713  1.00 24.19           C  
-ATOM    230  C   ARG B 192      35.854  32.750   8.834  1.00 20.69           C  
-ATOM    231  O   ARG B 192      35.336  32.112   9.765  1.00 20.28           O  
-ATOM    232  CB  ARG B 192      37.880  34.167   9.314  1.00 29.52           C  
-ATOM    233  CG  ARG B 192      37.716  34.254  10.797  1.00 36.63           C  
-ATOM    234  CD  ARG B 192      38.598  33.262  11.529  1.00 38.08           C  
-ATOM    235  NE  ARG B 192      38.143  33.086  12.911  1.00 35.88           N  
-ATOM    236  CZ  ARG B 192      37.176  32.258  13.316  1.00 38.43           C  
-ATOM    237  NH1 ARG B 192      36.500  31.489  12.459  1.00 37.03           N  
-ATOM    238  NH2 ARG B 192      36.865  32.205  14.603  1.00 45.19           N  
-ATOM    239  N   VAL B 193      35.125  33.359   7.899  1.00 18.58           N  
-ATOM    240  CA  VAL B 193      33.680  33.213   7.894  1.00 21.31           C  
-ATOM    241  C   VAL B 193      33.229  31.786   7.579  1.00 23.88           C  
-ATOM    242  O   VAL B 193      32.279  31.296   8.165  1.00 26.04           O  
-ATOM    243  CB  VAL B 193      33.009  34.143   6.875  1.00 25.08           C  
-ATOM    244  CG1 VAL B 193      31.523  34.023   7.012  1.00 33.03           C  
-ATOM    245  CG2 VAL B 193      33.369  35.558   7.139  1.00 22.12           C  
-ATOM    246  N   LYS B 194      33.906  31.120   6.638  1.00 25.93           N  
-ATOM    247  CA  LYS B 194      33.611  29.705   6.328  1.00 25.35           C  
-ATOM    248  C   LYS B 194      33.791  28.860   7.578  1.00 24.06           C  
-ATOM    249  O   LYS B 194      32.996  27.967   7.855  1.00 22.80           O  
-ATOM    250  CB  LYS B 194      34.547  29.160   5.243  1.00 24.77           C  
-ATOM    251  CG  LYS B 194      34.411  29.854   3.884  1.00 32.71           C  
-ATOM    252  CD  LYS B 194      35.546  29.420   2.950  1.00 36.38           C  
-ATOM    253  CE  LYS B 194      35.466  30.130   1.609  1.00 38.67           C  
-ATOM    254  NZ  LYS B 194      36.570  29.716   0.697  1.00 34.57           N  
-ATOM    255  N   GLU B 195      34.841  29.139   8.336  1.00 25.70           N  
-ATOM    256  CA  GLU B 195      35.122  28.375   9.575  1.00 25.12           C  
-ATOM    257  C   GLU B 195      34.047  28.621  10.606  1.00 22.08           C  
-ATOM    258  O   GLU B 195      33.603  27.702  11.248  1.00 25.04           O  
-ATOM    259  CB  GLU B 195      36.508  28.733  10.153  1.00 28.88           C  
-ATOM    260  CG  GLU B 195      37.672  28.148   9.361  1.00 42.50           C  
-ATOM    261  CD  GLU B 195      39.039  28.792   9.671  1.00 55.57           C  
-ATOM    262  OE1 GLU B 195      39.101  29.839  10.353  1.00 56.90           O  
-ATOM    263  OE2 GLU B 195      40.063  28.242   9.213  1.00 61.70           O  
-ATOM    264  N   LEU B 196      33.614  29.864  10.773  1.00 20.77           N  
-ATOM    265  CA  LEU B 196      32.502  30.129  11.685  1.00 18.39           C  
-ATOM    266  C   LEU B 196      31.277  29.235  11.313  1.00 22.20           C  
-ATOM    267  O   LEU B 196      30.719  28.540  12.154  1.00 24.99           O  
-ATOM    268  CB  LEU B 196      32.106  31.606  11.621  1.00 18.58           C  
-ATOM    269  CG  LEU B 196      30.867  31.996  12.415  1.00 20.81           C  
-ATOM    270  CD1 LEU B 196      31.142  31.662  13.923  1.00 17.98           C  
-ATOM    271  CD2 LEU B 196      30.426  33.458  12.190  1.00 18.95           C  
-ATOM    272  N   PHE B 197      30.858  29.247  10.049  1.00 25.08           N  
-ATOM    273  CA  PHE B 197      29.619  28.499   9.680  1.00 23.37           C  
-ATOM    274  C   PHE B 197      29.853  27.018   9.871  1.00 25.57           C  
-ATOM    275  O   PHE B 197      28.978  26.308  10.329  1.00 30.34           O  
-ATOM    276  CB  PHE B 197      29.166  28.794   8.249  1.00 18.16           C  
-ATOM    277  CG  PHE B 197      28.463  30.094   8.109  1.00 17.16           C  
-ATOM    278  CD1 PHE B 197      27.195  30.275   8.651  1.00 18.51           C  
-ATOM    279  CD2 PHE B 197      29.089  31.181   7.486  1.00 17.45           C  
-ATOM    280  CE1 PHE B 197      26.556  31.538   8.582  1.00 18.37           C  
-ATOM    281  CE2 PHE B 197      28.463  32.436   7.404  1.00 18.17           C  
-ATOM    282  CZ  PHE B 197      27.198  32.609   7.931  1.00 22.63           C  
-ATOM    283  N   SER B 198      31.051  26.555   9.549  1.00 30.18           N  
-ATOM    284  CA  SER B 198      31.393  25.158   9.791  1.00 33.55           C  
-ATOM    285  C   SER B 198      31.329  24.793  11.280  1.00 33.81           C  
-ATOM    286  O   SER B 198      30.756  23.770  11.631  1.00 32.60           O  
-ATOM    287  CB  SER B 198      32.759  24.826   9.220  1.00 35.29           C  
-ATOM    288  OG  SER B 198      33.142  23.499   9.556  1.00 46.37           O  
-ATOM    289  N   SER B 199      31.879  25.650  12.146  1.00 32.66           N  
-ATOM    290  CA  SER B 199      31.761  25.456  13.596  1.00 34.57           C  
-ATOM    291  C   SER B 199      30.313  25.332  14.041  1.00 36.05           C  
-ATOM    292  O   SER B 199      30.015  24.511  14.898  1.00 37.24           O  
-ATOM    293  CB  SER B 199      32.404  26.614  14.361  1.00 35.60           C  
-ATOM    294  OG  SER B 199      33.764  26.745  13.966  1.00 47.48           O  
-ATOM    295  N   LEU B 200      29.431  26.151  13.458  1.00 34.52           N  
-ATOM    296  CA  LEU B 200      28.003  26.117  13.777  1.00 32.68           C  
-ATOM    297  C   LEU B 200      27.281  24.936  13.091  1.00 33.57           C  
-ATOM    298  O   LEU B 200      26.050  24.808  13.182  1.00 34.07           O  
-ATOM    299  CB  LEU B 200      27.329  27.418  13.333  1.00 31.00           C  
-ATOM    300  CG  LEU B 200      27.762  28.737  13.958  1.00 36.88           C  
-ATOM    301  CD1 LEU B 200      27.093  29.904  13.200  1.00 27.86           C  
-ATOM    302  CD2 LEU B 200      27.381  28.742  15.458  1.00 35.27           C  
-ATOM    303  N   GLY B 201      28.018  24.110  12.359  1.00 33.19           N  
-ATOM    304  CA  GLY B 201      27.409  22.990  11.632  1.00 34.40           C  
-ATOM    305  C   GLY B 201      26.468  23.424  10.521  1.00 33.94           C  
-ATOM    306  O   GLY B 201      25.511  22.712  10.191  1.00 32.68           O  
-ATOM    307  N   VAL B 202      26.751  24.575   9.912  1.00 32.08           N  
-ATOM    308  CA  VAL B 202      25.890  25.101   8.857  1.00 30.13           C  
-ATOM    309  C   VAL B 202      26.527  24.948   7.483  1.00 27.64           C  
-ATOM    310  O   VAL B 202      27.624  25.460   7.216  1.00 30.80           O  
-ATOM    311  CB  VAL B 202      25.562  26.577   9.113  1.00 30.61           C  
-ATOM    312  CG1 VAL B 202      24.755  27.166   7.938  1.00 27.26           C  
-ATOM    313  CG2 VAL B 202      24.832  26.718  10.469  1.00 30.92           C  
-ATOM    314  N   GLU B 203      25.804  24.274   6.604  1.00 28.13           N  
-ATOM    315  CA  GLU B 203      26.218  24.084   5.207  1.00 31.14           C  
-ATOM    316  C   GLU B 203      26.005  25.354   4.380  1.00 29.97           C  
-ATOM    317  O   GLU B 203      24.906  25.973   4.385  1.00 29.65           O  
-ATOM    318  CB  GLU B 203      25.440  22.908   4.584  1.00 36.68           C  
-ATOM    319  CG  GLU B 203      26.143  22.232   3.378  1.00 51.16           C  
-ATOM    320  CD  GLU B 203      27.281  21.264   3.788  1.00 65.31           C  
-ATOM    321  OE1 GLU B 203      27.647  21.171   4.995  1.00 69.55           O  
-ATOM    322  OE2 GLU B 203      27.815  20.594   2.880  1.00 69.53           O  
-ATOM    323  N   CYS B 204      27.041  25.734   3.640  1.00 28.60           N  
-ATOM    324  CA  CYS B 204      27.019  26.965   2.852  1.00 26.20           C  
-ATOM    325  C   CYS B 204      27.257  26.706   1.391  1.00 24.52           C  
-ATOM    326  O   CYS B 204      28.038  25.831   1.039  1.00 22.81           O  
-ATOM    327  CB  CYS B 204      28.129  27.885   3.330  1.00 29.41           C  
-ATOM    328  SG  CYS B 204      27.991  28.318   5.055  1.00 36.48           S  
-ATOM    329  N   ASN B 205      26.604  27.489   0.553  1.00 21.31           N  
-ATOM    330  CA  ASN B 205      26.962  27.575  -0.850  1.00 22.14           C  
-ATOM    331  C   ASN B 205      28.053  28.630  -0.979  1.00 22.30           C  
-ATOM    332  O   ASN B 205      27.881  29.755  -0.542  1.00 27.11           O  
-ATOM    333  CB  ASN B 205      25.744  27.953  -1.719  1.00 19.32           C  
-ATOM    334  CG  ASN B 205      24.659  26.853  -1.737  1.00 27.48           C  
-ATOM    335  OD1 ASN B 205      24.944  25.704  -1.502  1.00 26.08           O  
-ATOM    336  ND2 ASN B 205      23.414  27.231  -2.051  1.00 30.32           N  
-ATOM    337  N   VAL B 206      29.193  28.259  -1.555  1.00 21.41           N  
-ATOM    338  CA  VAL B 206      30.299  29.192  -1.729  1.00 22.28           C  
-ATOM    339  C   VAL B 206      30.557  29.442  -3.224  1.00 23.85           C  
-ATOM    340  O   VAL B 206      30.709  28.488  -4.000  1.00 22.20           O  
-ATOM    341  CB  VAL B 206      31.593  28.667  -1.106  1.00 23.16           C  
-ATOM    342  CG1 VAL B 206      32.702  29.712  -1.283  1.00 23.57           C  
-ATOM    343  CG2 VAL B 206      31.388  28.296   0.358  1.00 19.46           C  
-ATOM    344  N   LEU B 207      30.592  30.716  -3.611  1.00 23.99           N  
-ATOM    345  CA  LEU B 207      31.001  31.116  -4.968  1.00 22.78           C  
-ATOM    346  C   LEU B 207      32.327  31.871  -4.865  1.00 24.97           C  
-ATOM    347  O   LEU B 207      32.388  32.978  -4.296  1.00 20.15           O  
-ATOM    348  CB  LEU B 207      29.927  31.993  -5.616  1.00 24.88           C  
-ATOM    349  CG  LEU B 207      30.131  32.285  -7.116  1.00 34.95           C  
-ATOM    350  CD1 LEU B 207      30.158  31.001  -7.981  1.00 36.15           C  
-ATOM    351  CD2 LEU B 207      29.042  33.241  -7.595  1.00 35.42           C  
-ATOM    352  N   GLU B 208      33.385  31.237  -5.367  1.00 25.79           N  
-ATOM    353  CA  GLU B 208      34.757  31.767  -5.336  1.00 25.50           C  
-ATOM    354  C   GLU B 208      34.948  32.606  -6.587  1.00 27.91           C  
-ATOM    355  O   GLU B 208      35.076  32.065  -7.712  1.00 27.30           O  
-ATOM    356  CB  GLU B 208      35.780  30.625  -5.332  1.00 27.40           C  
-ATOM    357  CG  GLU B 208      35.669  29.617  -4.198  1.00 29.74           C  
-ATOM    358  CD  GLU B 208      36.173  30.146  -2.830  1.00 38.36           C  
-ATOM    359  OE1 GLU B 208      36.511  31.360  -2.717  1.00 33.32           O  
-ATOM    360  OE2 GLU B 208      36.224  29.335  -1.857  1.00 34.09           O  
-ATOM    361  N   LEU B 209      34.947  33.923  -6.387  1.00 25.61           N  
-ATOM    362  CA  LEU B 209      34.947  34.884  -7.464  1.00 26.33           C  
-ATOM    363  C   LEU B 209      36.248  34.837  -8.290  1.00 30.95           C  
-ATOM    364  O   LEU B 209      36.241  35.142  -9.501  1.00 29.52           O  
-ATOM    365  CB  LEU B 209      34.678  36.298  -6.929  1.00 27.26           C  
-ATOM    366  CG  LEU B 209      33.267  36.503  -6.369  1.00 31.75           C  
-ATOM    367  CD1 LEU B 209      33.175  37.771  -5.561  1.00 31.73           C  
-ATOM    368  CD2 LEU B 209      32.226  36.490  -7.497  1.00 34.73           C  
-ATOM    369  N   ASP B 210      37.338  34.419  -7.649  1.00 34.07           N  
-ATOM    370  CA  ASP B 210      38.626  34.241  -8.345  1.00 34.38           C  
-ATOM    371  C   ASP B 210      38.683  32.970  -9.212  1.00 35.63           C  
-ATOM    372  O   ASP B 210      39.648  32.788  -9.978  1.00 37.05           O  
-ATOM    373  CB  ASP B 210      39.774  34.195  -7.328  1.00 33.40           C  
-ATOM    374  CG  ASP B 210      39.691  32.982  -6.411  1.00 28.29           C  
-ATOM    375  OD1 ASP B 210      38.650  32.812  -5.710  1.00 40.80           O  
-ATOM    376  OD2 ASP B 210      40.659  32.198  -6.380  1.00 41.53           O  
-ATOM    377  N   GLN B 211      37.690  32.086  -9.073  1.00 35.08           N  
-ATOM    378  CA  GLN B 211      37.669  30.803  -9.798  1.00 34.87           C  
-ATOM    379  C   GLN B 211      36.582  30.706 -10.868  1.00 37.33           C  
-ATOM    380  O   GLN B 211      36.555  29.740 -11.628  1.00 38.81           O  
-ATOM    381  CB  GLN B 211      37.527  29.638  -8.815  1.00 34.86           C  
-ATOM    382  CG  GLN B 211      38.777  29.433  -7.930  1.00 42.74           C  
-ATOM    383  CD  GLN B 211      38.628  28.313  -6.884  1.00 51.45           C  
-ATOM    384  OE1 GLN B 211      39.589  27.968  -6.201  1.00 56.03           O  
-ATOM    385  NE2 GLN B 211      37.425  27.758  -6.756  1.00 50.72           N  
-ATOM    386  N   VAL B 212      35.684  31.687 -10.937  1.00 36.91           N  
-ATOM    387  CA  VAL B 212      34.677  31.703 -11.991  1.00 38.67           C  
-ATOM    388  C   VAL B 212      35.210  32.494 -13.193  1.00 40.77           C  
-ATOM    389  O   VAL B 212      35.989  33.450 -13.031  1.00 38.07           O  
-ATOM    390  CB  VAL B 212      33.331  32.304 -11.510  1.00 39.26           C  
-ATOM    391  CG1 VAL B 212      32.745  31.457 -10.389  1.00 37.99           C  
-ATOM    392  CG2 VAL B 212      33.516  33.738 -11.059  1.00 36.35           C  
-ATOM    393  N   ASP B 213      34.808  32.075 -14.396  1.00 44.50           N  
-ATOM    394  CA  ASP B 213      35.108  32.842 -15.607  1.00 48.87           C  
-ATOM    395  C   ASP B 213      34.362  34.193 -15.513  1.00 50.32           C  
-ATOM    396  O   ASP B 213      33.161  34.241 -15.199  1.00 49.45           O  
-ATOM    397  CB  ASP B 213      34.725  32.065 -16.886  1.00 48.94           C  
-ATOM    398  N   ASP B 214      35.100  35.284 -15.732  1.00 50.57           N  
-ATOM    399  CA  ASP B 214      34.553  36.636 -15.691  1.00 51.11           C  
-ATOM    400  C   ASP B 214      34.162  37.056 -14.263  1.00 48.08           C  
-ATOM    401  O   ASP B 214      33.135  37.679 -14.064  1.00 47.11           O  
-ATOM    402  CB  ASP B 214      33.353  36.744 -16.655  1.00 52.09           C  
-ATOM    403  CG  ASP B 214      33.384  38.018 -17.507  1.00 62.52           C  
-ATOM    404  OD1 ASP B 214      34.411  38.747 -17.507  1.00 68.15           O  
-ATOM    405  OD2 ASP B 214      32.371  38.274 -18.198  1.00 67.50           O  
-ATOM    406  N   GLY B 215      35.005  36.720 -13.284  1.00 47.63           N  
-ATOM    407  CA  GLY B 215      34.782  37.060 -11.871  1.00 46.49           C  
-ATOM    408  C   GLY B 215      34.789  38.550 -11.565  1.00 46.56           C  
-ATOM    409  O   GLY B 215      34.225  38.987 -10.561  1.00 44.21           O  
-ATOM    410  N   ALA B 216      35.447  39.328 -12.423  1.00 48.07           N  
-ATOM    411  CA  ALA B 216      35.419  40.789 -12.342  1.00 48.73           C  
-ATOM    412  C   ALA B 216      34.013  41.322 -12.632  1.00 45.69           C  
-ATOM    413  O   ALA B 216      33.483  42.146 -11.882  1.00 42.52           O  
-ATOM    414  CB  ALA B 216      36.437  41.392 -13.337  1.00 49.90           C  
-ATOM    415  N   ARG B 217      33.429  40.838 -13.730  1.00 44.98           N  
-ATOM    416  CA  ARG B 217      32.068  41.193 -14.125  1.00 45.62           C  
-ATOM    417  C   ARG B 217      31.052  40.714 -13.077  1.00 43.17           C  
-ATOM    418  O   ARG B 217      30.032  41.356 -12.863  1.00 42.71           O  
-ATOM    419  CB  ARG B 217      31.725  40.594 -15.500  1.00 47.06           C  
-ATOM    420  CG  ARG B 217      30.714  41.406 -16.303  1.00 49.97           C  
-ATOM    421  CD  ARG B 217      31.418  42.474 -17.125  1.00 57.96           C  
-ATOM    422  NE  ARG B 217      30.503  43.480 -17.659  1.00 66.91           N  
-ATOM    423  CZ  ARG B 217      30.831  44.392 -18.576  1.00 73.27           C  
-ATOM    424  NH1 ARG B 217      32.060  44.437 -19.097  1.00 75.25           N  
-ATOM    425  NH2 ARG B 217      29.916  45.260 -18.987  1.00 75.91           N  
-ATOM    426  N   VAL B 218      31.326  39.580 -12.441  1.00 40.99           N  
-ATOM    427  CA  VAL B 218      30.479  39.081 -11.347  1.00 40.31           C  
-ATOM    428  C   VAL B 218      30.562  39.965 -10.099  1.00 39.25           C  
-ATOM    429  O   VAL B 218      29.547  40.240  -9.473  1.00 40.58           O  
-ATOM    430  CB  VAL B 218      30.828  37.619 -10.966  1.00 40.44           C  
-ATOM    431  CG1 VAL B 218      29.944  37.127  -9.817  1.00 36.01           C  
-ATOM    432  CG2 VAL B 218      30.697  36.697 -12.188  1.00 44.43           C  
-ATOM    433  N   GLN B 219      31.760  40.410  -9.738  1.00 38.30           N  
-ATOM    434  CA  GLN B 219      31.919  41.291  -8.574  1.00 40.12           C  
-ATOM    435  C   GLN B 219      31.241  42.636  -8.818  1.00 40.09           C  
-ATOM    436  O   GLN B 219      30.621  43.201  -7.917  1.00 36.22           O  
-ATOM    437  CB  GLN B 219      33.399  41.501  -8.232  1.00 41.56           C  
-ATOM    438  CG  GLN B 219      33.657  42.002  -6.807  1.00 46.31           C  
-ATOM    439  CD  GLN B 219      35.028  41.581  -6.283  1.00 52.90           C  
-ATOM    440  N   GLU B 220      31.367  43.133 -10.049  1.00 41.99           N  
-ATOM    441  CA  GLU B 220      30.694  44.360 -10.477  1.00 42.99           C  
-ATOM    442  C   GLU B 220      29.174  44.248 -10.283  1.00 40.16           C  
-ATOM    443  O   GLU B 220      28.562  45.086  -9.621  1.00 37.50           O  
-ATOM    444  CB  GLU B 220      31.033  44.647 -11.944  1.00 43.70           C  
-ATOM    445  CG  GLU B 220      30.663  46.037 -12.418  1.00 53.01           C  
-ATOM    446  CD  GLU B 220      31.307  46.379 -13.753  1.00 63.74           C  
-ATOM    447  OE1 GLU B 220      31.399  45.484 -14.621  1.00 66.16           O  
-ATOM    448  OE2 GLU B 220      31.724  47.541 -13.936  1.00 71.34           O  
-ATOM    449  N   VAL B 221      28.576  43.191 -10.830  1.00 39.19           N  
-ATOM    450  CA  VAL B 221      27.118  42.993 -10.722  1.00 40.05           C  
-ATOM    451  C   VAL B 221      26.681  42.744  -9.278  1.00 40.11           C  
-ATOM    452  O   VAL B 221      25.629  43.203  -8.845  1.00 41.30           O  
-ATOM    453  CB  VAL B 221      26.628  41.827 -11.616  1.00 40.24           C  
-ATOM    454  CG1 VAL B 221      25.216  41.388 -11.210  1.00 40.28           C  
-ATOM    455  CG2 VAL B 221      26.672  42.233 -13.073  1.00 39.92           C  
-ATOM    456  N   LEU B 222      27.508  42.026  -8.536  1.00 39.88           N  
-ATOM    457  CA  LEU B 222      27.253  41.796  -7.119  1.00 42.23           C  
-ATOM    458  C   LEU B 222      27.264  43.098  -6.311  1.00 42.49           C  
-ATOM    459  O   LEU B 222      26.482  43.244  -5.385  1.00 43.31           O  
-ATOM    460  CB  LEU B 222      28.268  40.787  -6.571  1.00 40.85           C  
-ATOM    461  CG  LEU B 222      28.073  40.262  -5.156  1.00 42.85           C  
-ATOM    462  CD1 LEU B 222      26.736  39.498  -5.017  1.00 29.73           C  
-ATOM    463  CD2 LEU B 222      29.263  39.370  -4.804  1.00 33.85           C  
-ATOM    464  N   SER B 223      28.131  44.043  -6.668  1.00 43.67           N  
-ATOM    465  CA  SER B 223      28.152  45.376  -6.014  1.00 45.92           C  
-ATOM    466  C   SER B 223      26.909  46.204  -6.340  1.00 45.80           C  
-ATOM    467  O   SER B 223      26.500  47.049  -5.536  1.00 47.95           O  
-ATOM    468  CB  SER B 223      29.395  46.191  -6.428  1.00 47.01           C  
-ATOM    469  OG  SER B 223      30.608  45.538  -6.076  1.00 44.51           O  
-ATOM    470  N   GLU B 224      26.331  45.975  -7.521  1.00 45.96           N  
-ATOM    471  CA  GLU B 224      25.091  46.646  -7.911  1.00 48.39           C  
-ATOM    472  C   GLU B 224      23.950  46.168  -7.024  1.00 49.03           C  
-ATOM    473  O   GLU B 224      23.219  46.971  -6.459  1.00 49.11           O  
-ATOM    474  CB  GLU B 224      24.745  46.393  -9.385  1.00 48.86           C  
-ATOM    475  CG  GLU B 224      25.784  46.890 -10.398  1.00 57.14           C  
-ATOM    476  CD  GLU B 224      25.972  48.408 -10.402  1.00 70.41           C  
-ATOM    477  OE1 GLU B 224      25.052  49.139  -9.961  1.00 82.06           O  
-ATOM    478  OE2 GLU B 224      27.042  48.871 -10.863  1.00 68.42           O  
-ATOM    479  N   ILE B 225      23.824  44.851  -6.892  1.00 49.38           N  
-ATOM    480  CA  ILE B 225      22.823  44.244  -6.003  1.00 48.66           C  
-ATOM    481  C   ILE B 225      22.998  44.646  -4.553  1.00 47.29           C  
-ATOM    482  O   ILE B 225      22.059  45.085  -3.927  1.00 51.62           O  
-ATOM    483  CB  ILE B 225      22.877  42.699  -6.031  1.00 49.84           C  
-ATOM    484  CG1 ILE B 225      22.517  42.148  -7.416  1.00 53.44           C  
-ATOM    485  CG2 ILE B 225      21.925  42.128  -4.997  1.00 53.21           C  
-ATOM    486  CD1 ILE B 225      22.705  40.647  -7.550  1.00 55.14           C  
-ATOM    487  N   THR B 226      24.202  44.494  -4.017  1.00 47.08           N  
-ATOM    488  CA  THR B 226      24.417  44.560  -2.557  1.00 44.08           C  
-ATOM    489  C   THR B 226      24.891  45.901  -2.057  1.00 44.81           C  
-ATOM    490  O   THR B 226      24.939  46.109  -0.841  1.00 48.63           O  
-ATOM    491  CB  THR B 226      25.470  43.545  -2.112  1.00 42.38           C  
-ATOM    492  OG1 THR B 226      26.727  43.828  -2.744  1.00 35.45           O  
-ATOM    493  CG2 THR B 226      25.038  42.177  -2.504  1.00 40.38           C  
-ATOM    494  N   ASN B 227      25.275  46.790  -2.973  1.00 43.63           N  
-ATOM    495  CA  ASN B 227      25.926  48.048  -2.599  1.00 47.38           C  
-ATOM    496  C   ASN B 227      27.188  47.815  -1.734  1.00 46.00           C  
-ATOM    497  O   ASN B 227      27.559  48.659  -0.910  1.00 46.47           O  
-ATOM    498  CB  ASN B 227      24.934  48.990  -1.876  1.00 51.36           C  
-ATOM    499  CG  ASN B 227      23.896  49.624  -2.822  1.00 54.79           C  
-ATOM    500  OD1 ASN B 227      23.491  49.034  -3.834  1.00 57.38           O  
-ATOM    501  ND2 ASN B 227      23.455  50.832  -2.472  1.00 58.57           N  
-ATOM    502  N   GLN B 228      27.839  46.664  -1.931  1.00 42.61           N  
-ATOM    503  CA  GLN B 228      29.074  46.317  -1.215  1.00 39.23           C  
-ATOM    504  C   GLN B 228      30.106  45.895  -2.248  1.00 39.17           C  
-ATOM    505  O   GLN B 228      29.814  45.083  -3.142  1.00 38.37           O  
-ATOM    506  CB  GLN B 228      28.808  45.193  -0.215  1.00 37.66           C  
-ATOM    507  CG  GLN B 228      30.054  44.640   0.521  1.00 42.08           C  
-ATOM    508  CD  GLN B 228      29.719  43.490   1.494  1.00 38.02           C  
-ATOM    509  OE1 GLN B 228      28.704  43.535   2.199  1.00 41.48           O  
-ATOM    510  NE2 GLN B 228      30.573  42.455   1.526  1.00 23.47           N  
-ATOM    511  N   LYS B 229      31.306  46.452  -2.134  1.00 42.15           N  
-ATOM    512  CA  LYS B 229      32.370  46.223  -3.121  1.00 44.04           C  
-ATOM    513  C   LYS B 229      33.364  45.114  -2.728  1.00 43.35           C  
-ATOM    514  O   LYS B 229      34.063  44.582  -3.597  1.00 44.53           O  
-ATOM    515  CB  LYS B 229      33.121  47.535  -3.378  1.00 45.88           C  
-ATOM    516  CG  LYS B 229      32.232  48.666  -3.884  1.00 50.20           C  
-ATOM    517  CD  LYS B 229      33.042  49.918  -4.175  1.00 57.96           C  
-ATOM    518  N   THR B 230      33.408  44.761  -1.438  1.00 38.44           N  
-ATOM    519  CA  THR B 230      34.389  43.805  -0.903  1.00 36.81           C  
-ATOM    520  C   THR B 230      33.839  42.378  -0.799  1.00 34.57           C  
-ATOM    521  O   THR B 230      32.632  42.166  -0.796  1.00 31.51           O  
-ATOM    522  CB  THR B 230      34.888  44.235   0.514  1.00 37.51           C  
-ATOM    523  OG1 THR B 230      33.765  44.520   1.363  1.00 36.67           O  
-ATOM    524  CG2 THR B 230      35.760  45.480   0.425  1.00 39.94           C  
-ATOM    525  N   VAL B 231      34.751  41.411  -0.723  1.00 31.13           N  
-ATOM    526  CA  VAL B 231      34.427  40.050  -0.296  1.00 28.97           C  
-ATOM    527  C   VAL B 231      35.169  39.807   1.027  1.00 27.26           C  
-ATOM    528  O   VAL B 231      36.224  40.398   1.252  1.00 27.13           O  
-ATOM    529  CB  VAL B 231      34.826  38.967  -1.373  1.00 28.19           C  
-ATOM    530  CG1 VAL B 231      34.277  39.354  -2.738  1.00 33.36           C  
-ATOM    531  CG2 VAL B 231      36.327  38.783  -1.430  1.00 30.82           C  
-ATOM    532  N   PRO B 232      34.648  38.915   1.884  1.00 25.26           N  
-ATOM    533  CA  PRO B 232      33.457  38.106   1.623  1.00 24.11           C  
-ATOM    534  C   PRO B 232      32.162  38.897   1.667  1.00 23.76           C  
-ATOM    535  O   PRO B 232      32.124  40.021   2.194  1.00 22.89           O  
-ATOM    536  CB  PRO B 232      33.502  37.037   2.728  1.00 26.47           C  
-ATOM    537  CG  PRO B 232      34.225  37.708   3.849  1.00 26.28           C  
-ATOM    538  CD  PRO B 232      35.301  38.524   3.139  1.00 24.11           C  
-ATOM    539  N   ASN B 233      31.113  38.309   1.100  1.00 22.61           N  
-ATOM    540  CA  ASN B 233      29.805  38.937   1.050  1.00 21.60           C  
-ATOM    541  C   ASN B 233      28.814  37.807   1.304  1.00 21.98           C  
-ATOM    542  O   ASN B 233      28.703  36.839   0.504  1.00 21.33           O  
-ATOM    543  CB  ASN B 233      29.621  39.593  -0.327  1.00 22.87           C  
-ATOM    544  CG  ASN B 233      28.461  40.595  -0.380  1.00 31.90           C  
-ATOM    545  OD1 ASN B 233      27.574  40.600   0.477  1.00 37.11           O  
-ATOM    546  ND2 ASN B 233      28.464  41.437  -1.405  1.00 29.22           N  
-ATOM    547  N   ILE B 234      28.151  37.893   2.456  1.00 16.07           N  
-ATOM    548  CA  ILE B 234      27.376  36.813   3.003  1.00 13.29           C  
-ATOM    549  C   ILE B 234      25.901  37.171   2.944  1.00 14.84           C  
-ATOM    550  O   ILE B 234      25.512  38.277   3.351  1.00 14.80           O  
-ATOM    551  CB  ILE B 234      27.775  36.590   4.524  1.00 15.62           C  
-ATOM    552  CG1 ILE B 234      29.233  36.164   4.627  1.00 22.55           C  
-ATOM    553  CG2 ILE B 234      26.967  35.526   5.195  1.00 16.69           C  
-ATOM    554  CD1 ILE B 234      30.173  37.267   4.501  1.00 27.45           C  
-ATOM    555  N   PHE B 235      25.095  36.208   2.465  1.00 15.08           N  
-ATOM    556  CA  PHE B 235      23.656  36.229   2.601  1.00 14.41           C  
-ATOM    557  C   PHE B 235      23.217  35.065   3.449  1.00 13.98           C  
-ATOM    558  O   PHE B 235      23.728  33.941   3.295  1.00 14.72           O  
-ATOM    559  CB  PHE B 235      23.010  36.123   1.244  1.00 14.92           C  
-ATOM    560  CG  PHE B 235      23.065  37.377   0.488  1.00 11.75           C  
-ATOM    561  CD1 PHE B 235      21.974  38.219   0.465  1.00 21.51           C  
-ATOM    562  CD2 PHE B 235      24.228  37.731  -0.209  1.00 19.04           C  
-ATOM    563  CE1 PHE B 235      22.028  39.438  -0.254  1.00 23.90           C  
-ATOM    564  CE2 PHE B 235      24.298  38.918  -0.908  1.00 22.49           C  
-ATOM    565  CZ  PHE B 235      23.195  39.784  -0.918  1.00 21.35           C  
-ATOM    566  N   VAL B 236      22.280  35.320   4.356  1.00 15.87           N  
-ATOM    567  CA  VAL B 236      21.628  34.222   5.089  1.00 16.04           C  
-ATOM    568  C   VAL B 236      20.098  34.300   4.918  1.00 15.58           C  
-ATOM    569  O   VAL B 236      19.477  35.276   5.327  1.00 16.40           O  
-ATOM    570  CB  VAL B 236      21.965  34.260   6.572  1.00 18.42           C  
-ATOM    571  CG1 VAL B 236      21.281  33.094   7.300  1.00 10.54           C  
-ATOM    572  CG2 VAL B 236      23.461  34.226   6.777  1.00  9.75           C  
-ATOM    573  N   ASN B 237      19.512  33.259   4.331  1.00 13.51           N  
-ATOM    574  CA  ASN B 237      18.057  33.183   4.121  1.00 15.78           C  
-ATOM    575  C   ASN B 237      17.503  34.401   3.390  1.00 18.73           C  
-ATOM    576  O   ASN B 237      16.471  34.956   3.750  1.00 21.29           O  
-ATOM    577  CB  ASN B 237      17.327  32.875   5.451  1.00 20.04           C  
-ATOM    578  CG  ASN B 237      17.331  31.370   5.763  1.00 25.49           C  
-ATOM    579  OD1 ASN B 237      17.232  30.572   4.847  1.00 26.67           O  
-ATOM    580  ND2 ASN B 237      17.486  30.993   7.029  1.00 21.53           N  
-ATOM    581  N   LYS B 238      18.249  34.796   2.356  1.00 19.59           N  
-ATOM    582  CA  LYS B 238      17.936  35.908   1.467  1.00 22.14           C  
-ATOM    583  C   LYS B 238      18.258  37.279   2.018  1.00 21.58           C  
-ATOM    584  O   LYS B 238      18.005  38.258   1.340  1.00 23.79           O  
-ATOM    585  CB  LYS B 238      16.469  35.889   0.986  1.00 20.50           C  
-ATOM    586  CG  LYS B 238      15.945  34.541   0.458  1.00 31.00           C  
-ATOM    587  CD  LYS B 238      14.453  34.659   0.144  1.00 38.41           C  
-ATOM    588  CE  LYS B 238      13.912  33.554  -0.766  1.00 52.64           C  
-ATOM    589  NZ  LYS B 238      13.464  32.327  -0.027  1.00 49.73           N  
-ATOM    590  N   VAL B 239      18.855  37.365   3.205  1.00 21.25           N  
-ATOM    591  CA  VAL B 239      19.098  38.653   3.853  1.00 14.00           C  
-ATOM    592  C   VAL B 239      20.578  38.883   3.771  1.00 17.85           C  
-ATOM    593  O   VAL B 239      21.373  38.042   4.198  1.00 17.55           O  
-ATOM    594  CB  VAL B 239      18.624  38.625   5.369  1.00 17.16           C  
-ATOM    595  CG1 VAL B 239      18.968  39.937   6.137  1.00 16.83           C  
-ATOM    596  CG2 VAL B 239      17.123  38.312   5.473  1.00 16.97           C  
-ATOM    597  N   HIS B 240      20.954  40.052   3.266  1.00 18.83           N  
-ATOM    598  CA  HIS B 240      22.352  40.426   3.164  1.00 18.41           C  
-ATOM    599  C   HIS B 240      22.936  40.704   4.541  1.00 18.19           C  
-ATOM    600  O   HIS B 240      22.513  41.631   5.163  1.00 19.82           O  
-ATOM    601  CB  HIS B 240      22.489  41.701   2.310  1.00 18.00           C  
-ATOM    602  CG  HIS B 240      23.908  42.134   2.132  1.00 20.93           C  
-ATOM    603  ND1 HIS B 240      24.303  43.448   2.222  1.00 26.32           N  
-ATOM    604  CD2 HIS B 240      25.028  41.416   1.861  1.00 24.58           C  
-ATOM    605  CE1 HIS B 240      25.602  43.529   1.987  1.00 30.60           C  
-ATOM    606  NE2 HIS B 240      26.066  42.312   1.764  1.00 26.88           N  
-ATOM    607  N   VAL B 241      23.910  39.912   5.009  1.00 20.61           N  
-ATOM    608  CA  VAL B 241      24.500  40.142   6.344  1.00 19.43           C  
-ATOM    609  C   VAL B 241      25.703  41.068   6.202  1.00 21.95           C  
-ATOM    610  O   VAL B 241      25.912  41.960   7.015  1.00 23.10           O  
-ATOM    611  CB  VAL B 241      24.927  38.829   7.026  1.00 22.98           C  
-ATOM    612  CG1 VAL B 241      25.745  39.100   8.264  1.00 22.05           C  
-ATOM    613  CG2 VAL B 241      23.687  37.974   7.366  1.00 21.07           C  
-ATOM    614  N   GLY B 242      26.490  40.874   5.146  1.00 22.85           N  
-ATOM    615  CA  GLY B 242      27.591  41.800   4.844  1.00 19.53           C  
-ATOM    616  C   GLY B 242      28.906  41.077   4.772  1.00 21.13           C  
-ATOM    617  O   GLY B 242      28.962  39.988   4.238  1.00 21.54           O  
-ATOM    618  N   GLY B 243      29.966  41.704   5.293  1.00 23.63           N  
-ATOM    619  CA  GLY B 243      31.294  41.094   5.332  1.00 22.37           C  
-ATOM    620  C   GLY B 243      31.571  40.270   6.578  1.00 21.00           C  
-ATOM    621  O   GLY B 243      30.651  39.912   7.342  1.00 19.99           O  
-ATOM    622  N   CYS B 244      32.853  39.998   6.782  1.00 19.40           N  
-ATOM    623  CA  CYS B 244      33.320  39.142   7.863  1.00 25.59           C  
-ATOM    624  C   CYS B 244      32.977  39.767   9.214  1.00 25.45           C  
-ATOM    625  O   CYS B 244      32.369  39.123  10.062  1.00 25.38           O  
-ATOM    626  CB  CYS B 244      34.837  38.916   7.765  1.00 25.95           C  
-ATOM    627  SG  CYS B 244      35.501  37.760   9.016  1.00 31.83           S  
-ATOM    628  N   ASP B 245      33.359  41.026   9.393  1.00 27.15           N  
-ATOM    629  CA  ASP B 245      33.141  41.742  10.663  1.00 29.17           C  
-ATOM    630  C   ASP B 245      31.658  41.766  11.008  1.00 25.56           C  
-ATOM    631  O   ASP B 245      31.279  41.453  12.139  1.00 21.37           O  
-ATOM    632  CB  ASP B 245      33.678  43.188  10.574  1.00 33.18           C  
-ATOM    633  CG  ASP B 245      35.226  43.252  10.502  1.00 49.37           C  
-ATOM    634  OD1 ASP B 245      35.906  42.313  10.992  1.00 51.82           O  
-ATOM    635  OD2 ASP B 245      35.754  44.244   9.945  1.00 58.69           O  
-ATOM    636  N   GLN B 246      30.820  42.073  10.016  1.00 21.47           N  
-ATOM    637  CA  GLN B 246      29.377  42.156  10.241  1.00 19.01           C  
-ATOM    638  C   GLN B 246      28.787  40.815  10.578  1.00 19.04           C  
-ATOM    639  O   GLN B 246      27.851  40.731  11.403  1.00 18.81           O  
-ATOM    640  CB  GLN B 246      28.678  42.786   9.041  1.00 20.47           C  
-ATOM    641  CG  GLN B 246      28.966  44.271   8.929  1.00 23.71           C  
-ATOM    642  CD  GLN B 246      28.621  44.828   7.556  1.00 34.92           C  
-ATOM    643  OE1 GLN B 246      29.113  44.338   6.568  1.00 24.58           O  
-ATOM    644  NE2 GLN B 246      27.783  45.861   7.504  1.00 36.27           N  
-ATOM    645  N   THR B 247      29.351  39.762   9.966  1.00 15.90           N  
-ATOM    646  CA  THR B 247      28.931  38.422  10.240  1.00 16.39           C  
-ATOM    647  C   THR B 247      29.256  37.977  11.662  1.00 18.20           C  
-ATOM    648  O   THR B 247      28.443  37.296  12.309  1.00 16.65           O  
-ATOM    649  CB  THR B 247      29.492  37.449   9.205  1.00 19.84           C  
-ATOM    650  OG1 THR B 247      28.986  37.790   7.901  1.00 22.51           O  
-ATOM    651  CG2 THR B 247      29.060  36.053   9.519  1.00 20.84           C  
-ATOM    652  N   PHE B 248      30.435  38.346  12.153  1.00 17.05           N  
-ATOM    653  CA  PHE B 248      30.801  38.079  13.561  1.00 19.46           C  
-ATOM    654  C   PHE B 248      29.967  38.926  14.524  1.00 16.43           C  
-ATOM    655  O   PHE B 248      29.507  38.448  15.539  1.00 19.49           O  
-ATOM    656  CB  PHE B 248      32.334  38.182  13.796  1.00 17.74           C  
-ATOM    657  CG  PHE B 248      33.077  36.896  13.412  1.00 19.66           C  
-ATOM    658  CD1 PHE B 248      33.242  35.881  14.326  1.00 13.80           C  
-ATOM    659  CD2 PHE B 248      33.519  36.692  12.128  1.00 15.10           C  
-ATOM    660  CE1 PHE B 248      33.865  34.688  13.981  1.00 21.92           C  
-ATOM    661  CE2 PHE B 248      34.133  35.495  11.762  1.00 16.48           C  
-ATOM    662  CZ  PHE B 248      34.313  34.497  12.691  1.00 22.27           C  
-ATOM    663  N   GLN B 249      29.714  40.172  14.187  1.00 17.21           N  
-ATOM    664  CA  GLN B 249      28.774  41.002  14.973  1.00 18.91           C  
-ATOM    665  C   GLN B 249      27.381  40.410  15.083  1.00 20.57           C  
-ATOM    666  O   GLN B 249      26.816  40.355  16.180  1.00 20.30           O  
-ATOM    667  CB  GLN B 249      28.712  42.410  14.385  1.00 22.44           C  
-ATOM    668  CG  GLN B 249      30.010  43.215  14.663  1.00 32.48           C  
-ATOM    669  CD  GLN B 249      30.268  44.375  13.659  1.00 51.55           C  
-ATOM    670  OE1 GLN B 249      29.449  44.674  12.779  1.00 60.06           O  
-ATOM    671  NE2 GLN B 249      31.426  45.014  13.796  1.00 51.57           N  
-ATOM    672  N   ALA B 250      26.843  39.918  13.968  1.00 18.95           N  
-ATOM    673  CA  ALA B 250      25.566  39.201  13.983  1.00 15.53           C  
-ATOM    674  C   ALA B 250      25.624  37.965  14.853  1.00 15.07           C  
-ATOM    675  O   ALA B 250      24.622  37.601  15.524  1.00 16.93           O  
-ATOM    676  CB  ALA B 250      25.142  38.791  12.563  1.00 12.98           C  
-ATOM    677  N   TYR B 251      26.776  37.298  14.849  1.00 18.44           N  
-ATOM    678  CA  TYR B 251      26.952  36.114  15.705  1.00 17.63           C  
-ATOM    679  C   TYR B 251      26.873  36.527  17.180  1.00 18.30           C  
-ATOM    680  O   TYR B 251      26.145  35.930  17.958  1.00 19.05           O  
-ATOM    681  CB  TYR B 251      28.285  35.417  15.404  1.00 19.48           C  
-ATOM    682  CG  TYR B 251      28.524  34.114  16.175  1.00 17.72           C  
-ATOM    683  CD1 TYR B 251      27.522  33.161  16.320  1.00 17.86           C  
-ATOM    684  CD2 TYR B 251      29.769  33.817  16.721  1.00 25.19           C  
-ATOM    685  CE1 TYR B 251      27.751  31.941  17.030  1.00 15.37           C  
-ATOM    686  CE2 TYR B 251      30.012  32.592  17.421  1.00 20.22           C  
-ATOM    687  CZ  TYR B 251      29.008  31.684  17.583  1.00 21.38           C  
-ATOM    688  OH  TYR B 251      29.252  30.505  18.275  1.00 30.93           O  
-ATOM    689  N   GLN B 252      27.584  37.589  17.521  1.00 18.41           N  
-ATOM    690  CA  GLN B 252      27.623  38.104  18.880  1.00 20.16           C  
-ATOM    691  C   GLN B 252      26.280  38.596  19.401  1.00 23.99           C  
-ATOM    692  O   GLN B 252      25.963  38.366  20.590  1.00 20.98           O  
-ATOM    693  CB  GLN B 252      28.639  39.247  19.007  1.00 21.27           C  
-ATOM    694  CG  GLN B 252      28.726  39.788  20.441  1.00 22.79           C  
-ATOM    695  CD  GLN B 252      29.434  41.095  20.557  1.00 24.77           C  
-ATOM    696  OE1 GLN B 252      29.062  41.897  21.395  1.00 28.81           O  
-ATOM    697  NE2 GLN B 252      30.462  41.330  19.728  1.00 20.08           N  
-ATOM    698  N   SER B 253      25.514  39.285  18.543  1.00 18.39           N  
-ATOM    699  CA  SER B 253      24.226  39.857  18.949  1.00 20.27           C  
-ATOM    700  C   SER B 253      23.067  38.835  19.088  1.00 20.98           C  
-ATOM    701  O   SER B 253      22.073  39.112  19.767  1.00 22.83           O  
-ATOM    702  CB  SER B 253      23.793  40.927  17.950  1.00 15.41           C  
-ATOM    703  OG  SER B 253      23.378  40.296  16.742  1.00 20.79           O  
-ATOM    704  N   GLY B 254      23.211  37.676  18.461  1.00 17.30           N  
-ATOM    705  CA  GLY B 254      22.159  36.678  18.367  1.00 15.65           C  
-ATOM    706  C   GLY B 254      21.401  36.737  17.023  1.00 18.23           C  
-ATOM    707  O   GLY B 254      20.572  35.863  16.724  1.00 19.44           O  
-ATOM    708  N   LEU B 255      21.664  37.771  16.221  1.00 16.06           N  
-ATOM    709  CA  LEU B 255      20.944  37.976  14.958  1.00 17.96           C  
-ATOM    710  C   LEU B 255      21.214  36.868  13.952  1.00 17.50           C  
-ATOM    711  O   LEU B 255      20.303  36.439  13.242  1.00 22.08           O  
-ATOM    712  CB  LEU B 255      21.316  39.323  14.325  1.00 23.09           C  
-ATOM    713  CG  LEU B 255      20.896  39.568  12.867  1.00 30.18           C  
-ATOM    714  CD1 LEU B 255      19.397  39.546  12.746  1.00 38.69           C  
-ATOM    715  CD2 LEU B 255      21.424  40.885  12.344  1.00 28.41           C  
-ATOM    716  N   LEU B 256      22.449  36.373  13.906  1.00 17.44           N  
-ATOM    717  CA  LEU B 256      22.798  35.302  12.944  1.00 18.42           C  
-ATOM    718  C   LEU B 256      22.030  34.022  13.209  1.00 17.41           C  
-ATOM    719  O   LEU B 256      21.483  33.420  12.282  1.00 24.07           O  
-ATOM    720  CB  LEU B 256      24.291  35.028  12.938  1.00 17.76           C  
-ATOM    721  CG  LEU B 256      24.820  34.167  11.804  1.00 26.84           C  
-ATOM    722  CD1 LEU B 256      24.556  34.832  10.467  1.00 19.88           C  
-ATOM    723  CD2 LEU B 256      26.316  33.953  12.029  1.00 16.86           C  
-ATOM    724  N   GLN B 257      21.919  33.647  14.477  1.00 18.14           N  
-ATOM    725  CA  GLN B 257      21.188  32.432  14.865  1.00 18.00           C  
-ATOM    726  C   GLN B 257      19.700  32.572  14.609  1.00 17.51           C  
-ATOM    727  O   GLN B 257      19.047  31.606  14.244  1.00 16.16           O  
-ATOM    728  CB  GLN B 257      21.450  32.087  16.349  1.00 21.55           C  
-ATOM    729  N   LYS B 258      19.162  33.775  14.792  1.00 18.98           N  
-ATOM    730  CA  LYS B 258      17.758  34.050  14.453  1.00 20.45           C  
-ATOM    731  C   LYS B 258      17.479  33.972  12.942  1.00 16.60           C  
-ATOM    732  O   LYS B 258      16.457  33.476  12.524  1.00 15.80           O  
-ATOM    733  CB  LYS B 258      17.347  35.437  14.965  1.00 21.36           C  
-ATOM    734  CG  LYS B 258      17.059  35.467  16.466  1.00 31.38           C  
-ATOM    735  CD  LYS B 258      15.672  34.836  16.780  1.00 32.16           C  
-ATOM    736  CE  LYS B 258      15.405  34.670  18.292  1.00 38.49           C  
-ATOM    737  NZ  LYS B 258      16.645  34.659  19.120  1.00 34.10           N  
-ATOM    738  N   LEU B 259      18.405  34.452  12.136  1.00 17.43           N  
-ATOM    739  CA  LEU B 259      18.270  34.345  10.680  1.00 17.62           C  
-ATOM    740  C   LEU B 259      18.311  32.892  10.211  1.00 19.59           C  
-ATOM    741  O   LEU B 259      17.648  32.504   9.244  1.00 21.14           O  
-ATOM    742  CB  LEU B 259      19.409  35.090  10.032  1.00 15.02           C  
-ATOM    743  CG  LEU B 259      19.324  36.605  10.173  1.00 18.91           C  
-ATOM    744  CD1 LEU B 259      20.480  37.207   9.419  1.00 21.80           C  
-ATOM    745  CD2 LEU B 259      17.974  37.168   9.627  1.00 24.75           C  
-ATOM    746  N   LEU B 260      19.091  32.093  10.923  1.00 23.90           N  
-ATOM    747  CA  LEU B 260      19.262  30.674  10.602  1.00 25.58           C  
-ATOM    748  C   LEU B 260      18.124  29.816  11.127  1.00 26.50           C  
-ATOM    749  O   LEU B 260      17.868  28.766  10.576  1.00 28.26           O  
-ATOM    750  CB  LEU B 260      20.587  30.136  11.153  1.00 22.97           C  
-ATOM    751  CG  LEU B 260      21.875  30.544  10.422  1.00 26.36           C  
-ATOM    752  CD1 LEU B 260      23.131  30.236  11.339  1.00 23.08           C  
-ATOM    753  CD2 LEU B 260      21.986  29.832   9.050  1.00 20.16           C  
-ATOM    754  N   GLN B 261      17.419  30.265  12.160  1.00 30.74           N  
-ATOM    755  CA  GLN B 261      16.462  29.392  12.820  1.00 32.31           C  
-ATOM    756  C   GLN B 261      15.139  29.251  12.040  1.00 33.76           C  
-ATOM    757  O   GLN B 261      14.854  29.999  11.090  1.00 31.15           O  
-ATOM    758  CB  GLN B 261      16.271  29.790  14.297  1.00 34.17           C  
-ATOM    759  CG  GLN B 261      15.213  30.868  14.601  1.00 42.65           C  
-ATOM    760  CD  GLN B 261      14.785  30.857  16.093  1.00 47.06           C  
-ATOM    761  OE1 GLN B 261      15.631  30.857  16.991  1.00 46.53           O  
-ATOM    762  NE2 GLN B 261      13.469  30.835  16.347  1.00 42.70           N  
-ATOM    763  N   GLU B 262      14.389  28.216  12.409  1.00 37.51           N  
-ATOM    764  CA  GLU B 262      13.070  27.917  11.844  1.00 40.76           C  
-ATOM    765  C   GLU B 262      12.028  28.999  12.201  1.00 39.81           C  
-ATOM    766  O   GLU B 262      11.982  29.503  13.327  1.00 38.52           O  
-ATOM    767  CB  GLU B 262      12.575  26.557  12.355  1.00 39.41           C  
-ATOM    768  N   ASP B 263      11.200  29.342  11.225  1.00 42.40           N  
-ATOM    769  CA  ASP B 263      10.118  30.305  11.417  1.00 44.39           C  
-ATOM    770  C   ASP B 263       8.914  29.675  12.155  1.00 42.07           C  
-ATOM    771  O   ASP B 263       8.637  28.464  12.050  1.00 38.64           O  
-ATOM    772  CB  ASP B 263       9.671  30.905  10.067  1.00 47.23           C  
-ATOM    773  CG  ASP B 263      10.780  31.724   9.375  1.00 58.96           C  
-ATOM    774  OD1 ASP B 263      11.962  31.573   9.768  1.00 66.45           O  
-ATOM    775  OD2 ASP B 263      10.474  32.526   8.440  1.00 61.80           O  
-ATOM    776  N   LEU B 264       8.232  30.515  12.930  1.00 36.97           N  
-ATOM    777  CA  LEU B 264       6.998  30.145  13.612  1.00 34.51           C  
-ATOM    778  C   LEU B 264       5.875  30.007  12.577  1.00 31.87           C  
-ATOM    779  O   LEU B 264       5.503  30.993  11.945  1.00 29.44           O  
-ATOM    780  CB  LEU B 264       6.637  31.240  14.645  1.00 33.82           C  
-ATOM    781  CG  LEU B 264       5.308  31.189  15.433  1.00 34.49           C  
-ATOM    782  CD1 LEU B 264       4.961  29.803  15.748  1.00 21.89           C  
-ATOM    783  CD2 LEU B 264       5.361  32.004  16.730  1.00 23.68           C  
-ATOM    784  N   ALA B 265       5.364  28.781  12.410  1.00 35.85           N  
-ATOM    785  CA  ALA B 265       4.181  28.492  11.575  1.00 34.81           C  
-ATOM    786  C   ALA B 265       3.083  29.487  11.843  1.00 38.31           C  
-ATOM    787  O   ALA B 265       2.448  29.987  10.912  1.00 36.25           O  
-ATOM    788  CB  ALA B 265       3.638  27.070  11.846  1.00 34.65           C  
-ATOM    789  N   TYR B 266       2.870  29.783  13.126  1.00 38.28           N  
-ATOM    790  CA  TYR B 266       1.753  30.614  13.546  1.00 39.10           C  
-ATOM    791  C   TYR B 266       1.907  32.092  13.134  1.00 40.18           C  
-ATOM    792  O   TYR B 266       0.950  32.865  13.224  1.00 36.05           O  
-ATOM    793  CB  TYR B 266       1.456  30.374  15.050  1.00 40.64           C  
-ATOM    794  CG  TYR B 266       1.084  28.906  15.306  1.00 44.85           C  
-ATOM    795  CD1 TYR B 266      -0.200  28.423  15.023  1.00 51.27           C  
-ATOM    796  CD2 TYR B 266       2.037  27.980  15.748  1.00 54.20           C  
-ATOM    797  CE1 TYR B 266      -0.537  27.066  15.224  1.00 51.50           C  
-ATOM    798  CE2 TYR B 266       1.708  26.621  15.946  1.00 44.28           C  
-ATOM    799  CZ  TYR B 266       0.427  26.175  15.685  1.00 47.93           C  
-ATOM    800  OH  TYR B 266       0.120  24.845  15.891  1.00 40.60           O  
-ATOM    801  N   ASP B 267       3.090  32.480  12.650  1.00 42.86           N  
-ATOM    802  CA  ASP B 267       3.278  33.813  12.033  1.00 48.07           C  
-ATOM    803  C   ASP B 267       3.081  33.717  10.505  1.00 48.56           C  
-ATOM    804  O   ASP B 267       2.935  34.735   9.845  1.00 46.97           O  
-ATOM    805  CB  ASP B 267       4.671  34.432  12.360  1.00 48.68           C  
-ATOM    806  CG  ASP B 267       4.902  34.693  13.880  1.00 60.94           C  
-ATOM    807  OD1 ASP B 267       3.945  35.083  14.593  1.00 63.32           O  
-ATOM    808  OD2 ASP B 267       6.058  34.529  14.365  1.00 57.05           O  
-ATOM    809  N   ALA B 268       3.080  32.484   9.980  1.00 52.34           N  
-ATOM    810  CA  ALA B 268       2.951  32.161   8.543  1.00 52.64           C  
-ATOM    811  C   ALA B 268       4.254  32.434   7.744  1.00 54.45           C  
-ATOM    812  O   ALA B 268       5.209  31.621   7.728  1.00 52.65           O  
-ATOM    813  CB  ALA B 268       1.720  32.888   7.914  1.00 51.96           C  

Deleted: SwiftApps/modFTDock/input/3hm5-1.pdb
===================================================================
--- SwiftApps/modFTDock/input/3hm5-1.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/3hm5-1.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,644 +0,0 @@
-ATOM      1  N   GLN A 134       9.267  23.122  -6.076  1.00 29.91           N  
-ATOM      2  CA  GLN A 134       9.834  22.225  -5.039  1.00 28.86           C  
-ATOM      3  C   GLN A 134       9.683  22.817  -3.616  1.00 27.16           C  
-ATOM      4  O   GLN A 134       9.723  24.018  -3.397  1.00 26.59           O  
-ATOM      5  CB  GLN A 134      11.324  22.009  -5.270  1.00 30.57           C  
-ATOM      6  CG  GLN A 134      11.720  21.386  -6.595  1.00 33.89           C  
-ATOM      7  CD  GLN A 134      13.216  21.420  -6.753  1.00 38.73           C  
-ATOM      8  OE1 GLN A 134      13.881  22.325  -6.238  1.00 40.52           O  
-ATOM      9  NE2 GLN A 134      13.760  20.452  -7.476  1.00 42.65           N  
-ATOM     10  N   VAL A 135       9.635  21.926  -2.646  1.00 25.30           N  
-ATOM     11  CA  VAL A 135       9.465  22.330  -1.268  1.00 22.73           C  
-ATOM     12  C   VAL A 135      10.823  22.647  -0.700  1.00 20.78           C  
-ATOM     13  O   VAL A 135      11.729  21.798  -0.734  1.00 20.64           O  
-ATOM     14  CB  VAL A 135       8.745  21.213  -0.509  1.00 22.74           C  
-ATOM     15  CG1 VAL A 135       8.554  21.552   0.976  1.00 21.57           C  
-ATOM     16  CG2 VAL A 135       7.417  20.959  -1.186  1.00 20.58           C  
-ATOM     17  N   PRO A 136      10.988  23.852  -0.122  1.00 18.40           N  
-ATOM     18  CA  PRO A 136      12.251  24.148   0.587  1.00 17.57           C  
-ATOM     19  C   PRO A 136      12.556  23.155   1.707  1.00 17.80           C  
-ATOM     20  O   PRO A 136      11.642  22.552   2.250  1.00 18.16           O  
-ATOM     21  CB  PRO A 136      12.011  25.541   1.176  1.00 17.71           C  
-ATOM     22  CG  PRO A 136      10.941  26.122   0.288  1.00 17.31           C  
-ATOM     23  CD  PRO A 136      10.047  24.977  -0.014  1.00 19.74           C  
-ATOM     24  N   VAL A 137      13.825  23.029   2.069  1.00 17.63           N  
-ATOM     25  CA  VAL A 137      14.254  22.198   3.189  1.00 17.41           C  
-ATOM     26  C   VAL A 137      15.038  23.101   4.130  1.00 17.93           C  
-ATOM     27  O   VAL A 137      16.102  23.626   3.778  1.00 18.99           O  
-ATOM     28  CB  VAL A 137      15.122  21.012   2.726  1.00 16.29           C  
-ATOM     29  CG1 VAL A 137      15.436  20.109   3.894  1.00 19.64           C  
-ATOM     30  CG2 VAL A 137      14.426  20.255   1.624  1.00 16.92           C  
-ATOM     31  N   TYR A 138      14.533  23.274   5.342  1.00 17.31           N  
-ATOM     32  CA  TYR A 138      15.244  24.068   6.332  1.00 16.09           C  
-ATOM     33  C   TYR A 138      16.123  23.154   7.176  1.00 18.62           C  
-ATOM     34  O   TYR A 138      15.783  21.981   7.455  1.00 19.15           O  
-ATOM     35  CB  TYR A 138      14.293  24.865   7.214  1.00 15.43           C  
-ATOM     36  CG  TYR A 138      13.118  24.079   7.747  1.00 14.47           C  
-ATOM     37  CD1 TYR A 138      13.256  23.191   8.825  1.00 16.74           C  
-ATOM     38  CD2 TYR A 138      11.843  24.228   7.179  1.00 13.94           C  
-ATOM     39  CE1 TYR A 138      12.154  22.458   9.288  1.00 15.00           C  
-ATOM     40  CE2 TYR A 138      10.756  23.522   7.647  1.00 10.86           C  
-ATOM     41  CZ  TYR A 138      10.902  22.652   8.702  1.00 13.30           C  
-ATOM     42  OH  TYR A 138       9.805  21.966   9.179  1.00 14.50           O  
-ATOM     43  N   SER A 139      17.279  23.681   7.568  1.00 20.21           N  
-ATOM     44  CA  SER A 139      18.123  23.011   8.559  1.00 21.06           C  
-ATOM     45  C   SER A 139      17.580  23.176   9.964  1.00 21.51           C  
-ATOM     46  O   SER A 139      16.739  24.026  10.226  1.00 19.99           O  
-ATOM     47  CB  SER A 139      19.547  23.549   8.488  1.00 21.18           C  
-ATOM     48  OG  SER A 139      19.627  24.883   8.920  1.00 21.89           O  
-ATOM     49  N   GLU A 140      18.090  22.363  10.895  1.00 22.80           N  
-ATOM     50  CA  GLU A 140      17.661  22.476  12.280  1.00 22.89           C  
-ATOM     51  C   GLU A 140      18.011  23.863  12.823  1.00 23.02           C  
-ATOM     52  O   GLU A 140      17.221  24.483  13.551  1.00 22.29           O  
-ATOM     53  CB  GLU A 140      18.261  21.355  13.162  1.00 23.99           C  
-ATOM     54  N   GLN A 141      19.204  24.352  12.481  1.00 23.33           N  
-ATOM     55  CA  GLN A 141      19.644  25.661  12.918  1.00 24.03           C  
-ATOM     56  C   GLN A 141      18.774  26.752  12.322  1.00 21.36           C  
-ATOM     57  O   GLN A 141      18.431  27.709  12.996  1.00 22.00           O  
-ATOM     58  CB  GLN A 141      21.093  25.914  12.532  1.00 24.73           C  
-ATOM     59  CG  GLN A 141      21.580  27.277  12.965  1.00 30.32           C  
-ATOM     60  CD  GLN A 141      23.062  27.464  12.721  1.00 36.80           C  
-ATOM     61  OE1 GLN A 141      23.722  26.593  12.158  1.00 44.37           O  
-ATOM     62  NE2 GLN A 141      23.588  28.607  13.129  1.00 40.49           N  
-ATOM     63  N   GLU A 142      18.422  26.606  11.045  1.00 20.18           N  
-ATOM     64  CA  GLU A 142      17.525  27.560  10.423  1.00 18.39           C  
-ATOM     65  C   GLU A 142      16.175  27.639  11.147  1.00 17.37           C  
-ATOM     66  O   GLU A 142      15.665  28.727  11.394  1.00 16.17           O  
-ATOM     67  CB  GLU A 142      17.309  27.247   8.935  1.00 18.19           C  
-ATOM     68  CG  GLU A 142      18.366  27.830   8.042  1.00 17.69           C  
-ATOM     69  CD  GLU A 142      18.259  27.389   6.604  1.00 20.68           C  
-ATOM     70  OE1 GLU A 142      17.742  26.273   6.340  1.00 20.55           O  
-ATOM     71  OE2 GLU A 142      18.671  28.176   5.717  1.00 17.91           O  
-ATOM     72  N   TYR A 143      15.580  26.491  11.445  1.00 17.77           N  
-ATOM     73  CA  TYR A 143      14.367  26.484  12.215  1.00 17.03           C  
-ATOM     74  C   TYR A 143      14.521  27.231  13.568  1.00 17.46           C  
-ATOM     75  O   TYR A 143      13.693  28.051  13.950  1.00 17.18           O  
-ATOM     76  CB  TYR A 143      13.848  25.061  12.446  1.00 17.00           C  
-ATOM     77  CG  TYR A 143      12.417  25.083  12.908  1.00 16.40           C  
-ATOM     78  CD1 TYR A 143      11.349  24.937  11.992  1.00 18.90           C  
-ATOM     79  CD2 TYR A 143      12.099  25.295  14.229  1.00 16.33           C  
-ATOM     80  CE1 TYR A 143      10.041  24.980  12.401  1.00 17.29           C  
-ATOM     81  CE2 TYR A 143      10.783  25.336  14.665  1.00 16.10           C  
-ATOM     82  CZ  TYR A 143       9.740  25.219  13.733  1.00 15.92           C  
-ATOM     83  OH  TYR A 143       8.432  25.296  14.151  1.00 14.12           O  
-ATOM     84  N   GLN A 144      15.592  26.920  14.295  1.00 19.51           N  
-ATOM     85  CA  GLN A 144      15.772  27.448  15.648  1.00 20.10           C  
-ATOM     86  C   GLN A 144      15.916  28.968  15.629  1.00 20.90           C  
-ATOM     87  O   GLN A 144      15.263  29.697  16.381  1.00 22.84           O  
-ATOM     88  CB  GLN A 144      17.007  26.787  16.284  1.00 20.75           C  
-ATOM     89  N   LEU A 145      16.719  29.457  14.711  1.00 21.75           N  
-ATOM     90  CA  LEU A 145      16.960  30.904  14.601  1.00 21.95           C  
-ATOM     91  C   LEU A 145      15.794  31.736  14.048  1.00 21.71           C  
-ATOM     92  O   LEU A 145      15.553  32.873  14.475  1.00 21.41           O  
-ATOM     93  CB  LEU A 145      18.243  31.150  13.801  1.00 22.80           C  
-ATOM     94  CG  LEU A 145      19.597  30.698  14.390  1.00 24.80           C  
-ATOM     95  CD1 LEU A 145      20.720  30.765  13.337  1.00 28.52           C  
-ATOM     96  CD2 LEU A 145      19.992  31.567  15.598  1.00 27.55           C  
-ATOM     97  N   TYR A 146      15.046  31.178  13.101  1.00 20.36           N  
-ATOM     98  CA  TYR A 146      14.230  31.996  12.222  1.00 19.83           C  
-ATOM     99  C   TYR A 146      12.784  31.582  12.098  1.00 18.73           C  
-ATOM    100  O   TYR A 146      11.949  32.413  11.720  1.00 17.84           O  
-ATOM    101  CB  TYR A 146      14.810  31.994  10.799  1.00 20.08           C  
-ATOM    102  CG  TYR A 146      16.277  32.390  10.722  1.00 21.45           C  
-ATOM    103  CD1 TYR A 146      16.698  33.635  11.167  1.00 26.29           C  
-ATOM    104  CD2 TYR A 146      17.231  31.525  10.173  1.00 24.29           C  
-ATOM    105  CE1 TYR A 146      18.053  34.007  11.096  1.00 27.54           C  
-ATOM    106  CE2 TYR A 146      18.570  31.890  10.104  1.00 27.32           C  
-ATOM    107  CZ  TYR A 146      18.960  33.130  10.579  1.00 27.09           C  
-ATOM    108  OH  TYR A 146      20.266  33.506  10.511  1.00 32.89           O  
-ATOM    109  N   LEU A 147      12.479  30.316  12.380  1.00 17.10           N  
-ATOM    110  CA  LEU A 147      11.160  29.753  11.940  1.00 16.24           C  
-ATOM    111  C   LEU A 147      10.186  29.439  13.075  1.00 16.82           C  
-ATOM    112  O   LEU A 147       9.117  28.885  12.864  1.00 16.04           O  
-ATOM    113  CB  LEU A 147      11.344  28.518  11.059  1.00 16.03           C  
-ATOM    114  CG  LEU A 147      12.307  28.630   9.854  1.00 13.69           C  
-ATOM    115  CD1 LEU A 147      12.275  27.366   9.033  1.00 14.75           C  
-ATOM    116  CD2 LEU A 147      11.981  29.816   8.889  1.00 13.20           C  
-ATOM    117  N   HIS A 148      10.569  29.776  14.302  1.00 18.49           N  
-ATOM    118  CA  HIS A 148       9.682  29.552  15.422  1.00 19.35           C  
-ATOM    119  C   HIS A 148       8.410  30.332  15.323  1.00 18.75           C  
-ATOM    120  O   HIS A 148       8.388  31.442  14.807  1.00 18.43           O  
-ATOM    121  CB  HIS A 148      10.427  29.872  16.725  1.00 21.07           C  
-ATOM    122  CG  HIS A 148      11.261  28.720  17.171  1.00 27.33           C  
-ATOM    123  ND1 HIS A 148      10.726  27.481  17.441  1.00 34.26           N  
-ATOM    124  CD2 HIS A 148      12.595  28.597  17.344  1.00 34.86           C  
-ATOM    125  CE1 HIS A 148      11.692  26.645  17.778  1.00 35.35           C  
-ATOM    126  NE2 HIS A 148      12.838  27.299  17.723  1.00 33.18           N  
-ATOM    127  N   ASP A 149       7.321  29.737  15.781  1.00 17.70           N  
-ATOM    128  CA  ASP A 149       6.071  30.430  15.877  1.00 17.79           C  
-ATOM    129  C   ASP A 149       5.461  29.947  17.185  1.00 17.88           C  
-ATOM    130  O   ASP A 149       5.472  28.774  17.451  1.00 17.34           O  
-ATOM    131  CB  ASP A 149       5.184  30.085  14.706  1.00 17.43           C  
-ATOM    132  CG  ASP A 149       3.888  30.812  14.723  1.00 22.12           C  
-ATOM    133  OD1 ASP A 149       3.706  31.675  13.832  1.00 27.27           O  
-ATOM    134  OD2 ASP A 149       3.008  30.530  15.558  1.00 19.39           O  
-ATOM    135  N   ASP A 150       4.925  30.866  17.987  1.00 18.97           N  
-ATOM    136  CA  ASP A 150       4.329  30.485  19.290  1.00 18.92           C  
-ATOM    137  C   ASP A 150       3.216  29.452  19.192  1.00 18.49           C  
-ATOM    138  O   ASP A 150       2.929  28.767  20.187  1.00 18.78           O  
-ATOM    139  CB  ASP A 150       3.767  31.701  20.038  1.00 20.56           C  
-ATOM    140  CG  ASP A 150       4.831  32.681  20.476  1.00 24.29           C  
-ATOM    141  OD1 ASP A 150       6.046  32.390  20.411  1.00 23.43           O  
-ATOM    142  OD2 ASP A 150       4.429  33.799  20.870  1.00 30.27           O  
-ATOM    143  N   ALA A 151       2.575  29.308  18.020  1.00 17.55           N  
-ATOM    144  CA  ALA A 151       1.449  28.385  17.854  1.00 16.65           C  
-ATOM    145  C   ALA A 151       1.737  27.086  17.066  1.00 16.54           C  
-ATOM    146  O   ALA A 151       0.807  26.303  16.827  1.00 17.80           O  
-ATOM    147  CB  ALA A 151       0.237  29.149  17.199  1.00 18.94           C  
-ATOM    148  N   TRP A 152       3.007  26.847  16.711  1.00 15.78           N  
-ATOM    149  CA  TRP A 152       3.442  25.713  15.922  1.00 15.72           C  
-ATOM    150  C   TRP A 152       4.630  25.057  16.567  1.00 15.34           C  
-ATOM    151  O   TRP A 152       5.553  25.753  16.979  1.00 16.52           O  
-ATOM    152  CB  TRP A 152       3.889  26.171  14.517  1.00 16.73           C  
-ATOM    153  CG  TRP A 152       2.759  26.497  13.599  1.00 16.18           C  
-ATOM    154  CD1 TRP A 152       2.010  27.641  13.578  1.00 15.70           C  
-ATOM    155  CD2 TRP A 152       2.290  25.675  12.531  1.00 16.15           C  
-ATOM    156  NE1 TRP A 152       1.037  27.538  12.594  1.00 20.00           N  
-ATOM    157  CE2 TRP A 152       1.207  26.346  11.929  1.00 18.12           C  
-ATOM    158  CE3 TRP A 152       2.674  24.406  12.042  1.00 14.99           C  
-ATOM    159  CZ2 TRP A 152       0.479  25.788  10.843  1.00 17.22           C  
-ATOM    160  CZ3 TRP A 152       1.964  23.848  10.967  1.00 16.53           C  
-ATOM    161  CH2 TRP A 152       0.883  24.549  10.380  1.00 18.33           C  
-ATOM    162  N   THR A 153       4.632  23.730  16.618  1.00 15.72           N  
-ATOM    163  CA  THR A 153       5.817  22.964  17.017  1.00 14.99           C  
-ATOM    164  C   THR A 153       6.660  22.725  15.791  1.00 16.19           C  
-ATOM    165  O   THR A 153       6.139  22.780  14.658  1.00 16.31           O  
-ATOM    166  CB  THR A 153       5.458  21.580  17.589  1.00 15.80           C  
-ATOM    167  OG1 THR A 153       4.756  20.804  16.607  1.00 15.54           O  
-ATOM    168  CG2 THR A 153       4.608  21.695  18.884  1.00 16.76           C  
-ATOM    169  N   LYS A 154       7.938  22.414  15.982  1.00 15.19           N  
-ATOM    170  CA  LYS A 154       8.763  21.954  14.891  1.00 15.43           C  
-ATOM    171  C   LYS A 154       8.236  20.656  14.358  1.00 15.38           C  
-ATOM    172  O   LYS A 154       8.213  20.444  13.153  1.00 13.63           O  
-ATOM    173  CB  LYS A 154      10.224  21.800  15.277  1.00 15.82           C  
-ATOM    174  CG  LYS A 154      11.132  21.515  14.060  1.00 18.41           C  
-ATOM    175  CD  LYS A 154      12.576  21.327  14.433  1.00 20.82           C  
-ATOM    176  CE  LYS A 154      13.458  21.177  13.202  1.00 18.94           C  
-ATOM    177  NZ  LYS A 154      13.254  19.870  12.512  1.00 15.32           N  
-ATOM    178  N   ALA A 155       7.778  19.780  15.238  1.00 14.92           N  
-ATOM    179  CA  ALA A 155       7.198  18.545  14.780  1.00 15.75           C  
-ATOM    180  C   ALA A 155       6.046  18.759  13.792  1.00 15.06           C  
-ATOM    181  O   ALA A 155       6.008  18.100  12.737  1.00 14.37           O  
-ATOM    182  CB  ALA A 155       6.718  17.696  15.999  1.00 15.20           C  
-ATOM    183  N   GLU A 156       5.138  19.668  14.090  1.00 15.25           N  
-ATOM    184  CA  GLU A 156       4.007  19.898  13.198  1.00 15.59           C  
-ATOM    185  C   GLU A 156       4.479  20.531  11.896  1.00 14.81           C  
-ATOM    186  O   GLU A 156       3.984  20.207  10.807  1.00 12.69           O  
-ATOM    187  CB  GLU A 156       2.961  20.834  13.854  1.00 16.75           C  
-ATOM    188  CG  GLU A 156       1.709  20.860  13.061  1.00 18.96           C  
-ATOM    189  CD  GLU A 156       0.674  21.846  13.529  1.00 23.66           C  
-ATOM    190  OE1 GLU A 156       0.815  22.428  14.646  1.00 21.31           O  
-ATOM    191  OE2 GLU A 156      -0.267  22.047  12.731  1.00 21.76           O  
-ATOM    192  N   THR A 157       5.407  21.495  12.008  1.00 13.29           N  
-ATOM    193  CA  THR A 157       5.947  22.142  10.813  1.00 12.62           C  
-ATOM    194  C   THR A 157       6.611  21.110   9.883  1.00 12.33           C  
-ATOM    195  O   THR A 157       6.409  21.106   8.675  1.00 11.25           O  
-ATOM    196  CB  THR A 157       6.921  23.297  11.191  1.00 12.86           C  
-ATOM    197  OG1 THR A 157       6.272  24.211  12.084  1.00 13.46           O  
-ATOM    198  CG2 THR A 157       7.346  24.045   9.956  1.00 10.33           C  
-ATOM    199  N   ASP A 158       7.429  20.234  10.462  1.00 11.91           N  
-ATOM    200  CA  ASP A 158       8.070  19.146   9.729  1.00 12.70           C  
-ATOM    201  C   ASP A 158       7.026  18.265   9.009  1.00 12.92           C  
-ATOM    202  O   ASP A 158       7.216  17.910   7.843  1.00 11.57           O  
-ATOM    203  CB  ASP A 158       8.871  18.241  10.695  1.00 13.37           C  
-ATOM    204  CG  ASP A 158      10.172  18.878  11.176  1.00 16.54           C  
-ATOM    205  OD1 ASP A 158      10.547  19.979  10.733  1.00 17.38           O  
-ATOM    206  OD2 ASP A 158      10.763  18.279  12.081  1.00 15.88           O  
-ATOM    207  N   HIS A 159       5.940  17.963   9.716  1.00 12.34           N  
-ATOM    208  CA  HIS A 159       4.789  17.201   9.168  1.00 13.59           C  
-ATOM    209  C   HIS A 159       4.177  17.935   7.974  1.00 12.42           C  
-ATOM    210  O   HIS A 159       3.961  17.323   6.910  1.00 13.36           O  
-ATOM    211  CB  HIS A 159       3.749  17.020  10.263  1.00 13.39           C  
-ATOM    212  CG  HIS A 159       2.516  16.277   9.855  1.00 14.79           C  
-ATOM    213  ND1 HIS A 159       2.547  15.045   9.239  1.00 15.66           N  
-ATOM    214  CD2 HIS A 159       1.210  16.597  10.006  1.00 15.05           C  
-ATOM    215  CE1 HIS A 159       1.300  14.634   9.043  1.00 17.36           C  
-ATOM    216  NE2 HIS A 159       0.475  15.557   9.503  1.00 16.45           N  
-ATOM    217  N   LEU A 160       3.882  19.225   8.125  1.00 12.07           N  
-ATOM    218  CA  LEU A 160       3.381  20.020   7.007  1.00 11.35           C  
-ATOM    219  C   LEU A 160       4.301  19.949   5.762  1.00 11.19           C  
-ATOM    220  O   LEU A 160       3.835  19.767   4.648  1.00 11.50           O  
-ATOM    221  CB  LEU A 160       3.228  21.471   7.469  1.00 11.42           C  
-ATOM    222  CG  LEU A 160       2.991  22.540   6.422  1.00 11.35           C  
-ATOM    223  CD1 LEU A 160       1.641  22.210   5.698  1.00 10.16           C  
-ATOM    224  CD2 LEU A 160       3.034  23.929   7.042  1.00 10.20           C  
-ATOM    225  N   PHE A 161       5.601  20.109   5.985  1.00 11.22           N  
-ATOM    226  CA  PHE A 161       6.574  20.119   4.900  1.00 12.10           C  
-ATOM    227  C   PHE A 161       6.710  18.724   4.259  1.00 12.19           C  
-ATOM    228  O   PHE A 161       6.810  18.597   3.028  1.00 12.02           O  
-ATOM    229  CB  PHE A 161       7.895  20.699   5.378  1.00 11.77           C  
-ATOM    230  CG  PHE A 161       7.959  22.184   5.234  1.00 11.31           C  
-ATOM    231  CD1 PHE A 161       7.100  22.987   5.946  1.00 13.15           C  
-ATOM    232  CD2 PHE A 161       8.780  22.763   4.255  1.00 12.98           C  
-ATOM    233  CE1 PHE A 161       7.109  24.352   5.755  1.00 14.17           C  
-ATOM    234  CE2 PHE A 161       8.813  24.135   4.069  1.00 13.32           C  
-ATOM    235  CZ  PHE A 161       7.947  24.921   4.808  1.00 13.97           C  
-ATOM    236  N   ASP A 162       6.624  17.689   5.078  1.00 11.87           N  
-ATOM    237  CA  ASP A 162       6.586  16.317   4.563  1.00 13.27           C  
-ATOM    238  C   ASP A 162       5.370  16.074   3.663  1.00 13.27           C  
-ATOM    239  O   ASP A 162       5.490  15.565   2.535  1.00 12.84           O  
-ATOM    240  CB  ASP A 162       6.592  15.350   5.739  1.00 13.41           C  
-ATOM    241  CG  ASP A 162       6.615  13.873   5.310  1.00 19.68           C  
-ATOM    242  OD1 ASP A 162       7.517  13.497   4.508  1.00 22.20           O  
-ATOM    243  OD2 ASP A 162       5.762  13.111   5.821  1.00 23.35           O  
-ATOM    244  N   LEU A 163       4.198  16.471   4.121  1.00 12.52           N  
-ATOM    245  CA  LEU A 163       3.029  16.300   3.316  1.00 14.31           C  
-ATOM    246  C   LEU A 163       3.091  17.116   2.040  1.00 14.26           C  
-ATOM    247  O   LEU A 163       2.622  16.666   0.965  1.00 14.98           O  
-ATOM    248  CB  LEU A 163       1.800  16.650   4.121  1.00 13.30           C  
-ATOM    249  CG  LEU A 163       1.415  15.778   5.312  1.00 15.89           C  
-ATOM    250  CD1 LEU A 163       0.283  16.478   6.052  1.00 19.43           C  
-ATOM    251  CD2 LEU A 163       1.025  14.406   4.924  1.00 21.22           C  
-ATOM    252  N   SER A 164       3.623  18.337   2.149  1.00 14.84           N  
-ATOM    253  CA  SER A 164       3.869  19.202   1.003  1.00 15.79           C  
-ATOM    254  C   SER A 164       4.736  18.546  -0.087  1.00 15.89           C  
-ATOM    255  O   SER A 164       4.446  18.725  -1.296  1.00 15.56           O  
-ATOM    256  CB  SER A 164       4.465  20.545   1.462  1.00 15.21           C  
-ATOM    257  OG  SER A 164       3.529  21.228   2.254  1.00 15.20           O  
-ATOM    258  N   ARG A 165       5.775  17.821   0.320  1.00 16.68           N  
-ATOM    259  CA  ARG A 165       6.589  17.029  -0.601  1.00 17.35           C  
-ATOM    260  C   ARG A 165       5.796  15.883  -1.210  1.00 18.14           C  
-ATOM    261  O   ARG A 165       5.735  15.754  -2.436  1.00 18.47           O  
-ATOM    262  CB  ARG A 165       7.824  16.461   0.081  1.00 17.62           C  
-ATOM    263  CG  ARG A 165       8.803  17.553   0.462  1.00 17.21           C  
-ATOM    264  CD  ARG A 165      10.011  17.082   1.219  1.00 16.41           C  
-ATOM    265  NE  ARG A 165      10.635  18.282   1.802  1.00 15.54           N  
-ATOM    266  CZ  ARG A 165      10.732  18.563   3.098  1.00 14.06           C  
-ATOM    267  NH1 ARG A 165      10.341  17.702   4.049  1.00 14.29           N  
-ATOM    268  NH2 ARG A 165      11.234  19.740   3.452  1.00 15.41           N  
-ATOM    269  N   ARG A 166       5.213  15.056  -0.366  1.00 18.80           N  
-ATOM    270  CA  ARG A 166       4.554  13.824  -0.805  1.00 20.49           C  
-ATOM    271  C   ARG A 166       3.320  14.038  -1.704  1.00 20.59           C  
-ATOM    272  O   ARG A 166       3.020  13.206  -2.603  1.00 18.57           O  
-ATOM    273  CB  ARG A 166       4.204  13.006   0.400  1.00 21.96           C  
-ATOM    274  CG  ARG A 166       5.462  12.471   1.102  1.00 25.58           C  
-ATOM    275  CD  ARG A 166       5.130  11.993   2.519  1.00 29.95           C  
-ATOM    276  NE  ARG A 166       3.968  11.106   2.531  1.00 37.66           N  
-ATOM    277  CZ  ARG A 166       3.177  10.914   3.584  1.00 39.66           C  
-ATOM    278  NH1 ARG A 166       3.422  11.534   4.738  1.00 40.40           N  
-ATOM    279  NH2 ARG A 166       2.152  10.069   3.492  1.00 41.26           N  
-ATOM    280  N   PHE A 167       2.620  15.146  -1.462  1.00 18.45           N  
-ATOM    281  CA  PHE A 167       1.385  15.451  -2.177  1.00 18.50           C  
-ATOM    282  C   PHE A 167       1.431  16.673  -3.073  1.00 17.52           C  
-ATOM    283  O   PHE A 167       0.392  17.279  -3.397  1.00 16.81           O  
-ATOM    284  CB  PHE A 167       0.219  15.479  -1.179  1.00 18.06           C  
-ATOM    285  CG  PHE A 167       0.079  14.195  -0.401  1.00 19.30           C  
-ATOM    286  CD1 PHE A 167      -0.199  13.006  -1.054  1.00 20.97           C  
-ATOM    287  CD2 PHE A 167       0.237  14.169   0.959  1.00 20.37           C  
-ATOM    288  CE1 PHE A 167      -0.309  11.824  -0.341  1.00 23.96           C  
-ATOM    289  CE2 PHE A 167       0.111  13.006   1.670  1.00 22.92           C  
-ATOM    290  CZ  PHE A 167      -0.175  11.823   1.002  1.00 23.77           C  
-ATOM    291  N   ASP A 168       2.649  17.027  -3.479  1.00 18.93           N  
-ATOM    292  CA  ASP A 168       2.907  17.941  -4.581  1.00 21.31           C  
-ATOM    293  C   ASP A 168       2.243  19.283  -4.384  1.00 19.46           C  
-ATOM    294  O   ASP A 168       1.745  19.923  -5.306  1.00 19.97           O  
-ATOM    295  CB  ASP A 168       2.534  17.242  -5.898  1.00 22.83           C  
-ATOM    296  CG  ASP A 168       3.232  15.865  -6.055  1.00 29.34           C  
-ATOM    297  OD1 ASP A 168       4.439  15.694  -5.660  1.00 33.19           O  
-ATOM    298  OD2 ASP A 168       2.549  14.918  -6.536  1.00 35.87           O  
-ATOM    299  N   LEU A 169       2.251  19.735  -3.135  1.00 19.37           N  
-ATOM    300  CA  LEU A 169       1.679  21.022  -2.753  1.00 19.02           C  
-ATOM    301  C   LEU A 169       0.204  21.190  -3.078  1.00 18.82           C  
-ATOM    302  O   LEU A 169      -0.261  22.292  -3.331  1.00 18.47           O  
-ATOM    303  CB  LEU A 169       2.512  22.201  -3.328  1.00 20.13           C  
-ATOM    304  CG  LEU A 169       3.770  22.585  -2.568  1.00 22.17           C  
-ATOM    305  CD1 LEU A 169       4.419  23.755  -3.303  1.00 26.32           C  
-ATOM    306  CD2 LEU A 169       3.423  22.979  -1.145  1.00 20.36           C  
-ATOM    307  N   ARG A 170      -0.538  20.084  -3.025  1.00 16.92           N  
-ATOM    308  CA  ARG A 170      -1.981  20.129  -3.178  1.00 17.21           C  
-ATOM    309  C   ARG A 170      -2.585  20.310  -1.804  1.00 16.62           C  
-ATOM    310  O   ARG A 170      -2.717  19.366  -1.033  1.00 15.18           O  
-ATOM    311  CB  ARG A 170      -2.437  18.839  -3.845  1.00 16.38           C  
-ATOM    312  CG  ARG A 170      -1.892  18.691  -5.256  1.00 20.07           C  
-ATOM    313  CD  ARG A 170      -1.984  17.218  -5.696  1.00 21.32           C  
-ATOM    314  NE  ARG A 170      -3.375  16.793  -5.854  1.00 22.90           N  
-ATOM    315  CZ  ARG A 170      -3.754  15.529  -6.108  1.00 24.16           C  
-ATOM    316  NH1 ARG A 170      -2.876  14.571  -6.200  1.00 24.30           N  
-ATOM    317  NH2 ARG A 170      -5.036  15.228  -6.278  1.00 28.13           N  
-ATOM    318  N   PHE A 171      -2.907  21.557  -1.465  1.00 17.34           N  
-ATOM    319  CA  PHE A 171      -3.293  21.841  -0.102  1.00 18.11           C  
-ATOM    320  C   PHE A 171      -4.595  21.253   0.339  1.00 18.16           C  
-ATOM    321  O   PHE A 171      -4.743  20.987   1.506  1.00 18.92           O  
-ATOM    322  CB  PHE A 171      -3.252  23.342   0.207  1.00 18.73           C  
-ATOM    323  CG  PHE A 171      -1.895  23.810   0.468  1.00 19.70           C  
-ATOM    324  CD1 PHE A 171      -1.320  23.629   1.708  1.00 21.59           C  
-ATOM    325  CD2 PHE A 171      -1.140  24.348  -0.555  1.00 21.86           C  
-ATOM    326  CE1 PHE A 171      -0.002  24.048   1.919  1.00 21.39           C  
-ATOM    327  CE2 PHE A 171       0.165  24.750  -0.349  1.00 23.44           C  
-ATOM    328  CZ  PHE A 171       0.723  24.602   0.899  1.00 21.66           C  
-ATOM    329  N   VAL A 172      -5.499  20.945  -0.596  1.00 18.92           N  
-ATOM    330  CA  VAL A 172      -6.685  20.154  -0.240  1.00 18.92           C  
-ATOM    331  C   VAL A 172      -6.339  18.729   0.229  1.00 18.29           C  
-ATOM    332  O   VAL A 172      -6.959  18.207   1.171  1.00 17.48           O  
-ATOM    333  CB  VAL A 172      -7.696  20.057  -1.437  1.00 19.29           C  
-ATOM    334  CG1 VAL A 172      -8.814  19.117  -1.094  1.00 17.69           C  
-ATOM    335  CG2 VAL A 172      -8.200  21.425  -1.798  1.00 20.61           C  
-ATOM    336  N   VAL A 173      -5.341  18.106  -0.422  1.00 15.81           N  
-ATOM    337  CA  VAL A 173      -4.892  16.813  -0.035  1.00 15.48           C  
-ATOM    338  C   VAL A 173      -4.076  16.905   1.269  1.00 14.78           C  
-ATOM    339  O   VAL A 173      -4.249  16.098   2.165  1.00 17.72           O  
-ATOM    340  CB  VAL A 173      -4.041  16.160  -1.156  1.00 14.28           C  
-ATOM    341  CG1 VAL A 173      -3.505  14.801  -0.689  1.00 14.54           C  
-ATOM    342  CG2 VAL A 173      -4.831  16.019  -2.411  1.00 14.96           C  
-ATOM    343  N   ILE A 174      -3.159  17.856   1.344  1.00 15.40           N  
-ATOM    344  CA  ILE A 174      -2.372  18.071   2.554  1.00 14.51           C  
-ATOM    345  C   ILE A 174      -3.319  18.228   3.755  1.00 16.54           C  
-ATOM    346  O   ILE A 174      -3.146  17.589   4.787  1.00 17.47           O  
-ATOM    347  CB  ILE A 174      -1.440  19.305   2.411  1.00 14.86           C  
-ATOM    348  CG1 ILE A 174      -0.398  19.048   1.316  1.00 14.63           C  
-ATOM    349  CG2 ILE A 174      -0.785  19.644   3.773  1.00 12.11           C  
-ATOM    350  CD1 ILE A 174       0.345  20.303   0.804  1.00 15.53           C  
-ATOM    351  N   HIS A 175      -4.327  19.067   3.593  1.00 18.15           N  
-ATOM    352  CA  HIS A 175      -5.333  19.254   4.637  1.00 20.40           C  
-ATOM    353  C   HIS A 175      -6.070  17.966   5.010  1.00 20.04           C  
-ATOM    354  O   HIS A 175      -6.257  17.682   6.167  1.00 19.92           O  
-ATOM    355  CB  HIS A 175      -6.329  20.330   4.240  1.00 21.78           C  
-ATOM    356  CG  HIS A 175      -7.270  20.704   5.351  1.00 26.40           C  
-ATOM    357  ND1 HIS A 175      -8.532  20.162   5.465  1.00 31.28           N  
-ATOM    358  CD2 HIS A 175      -7.105  21.512   6.433  1.00 30.90           C  
-ATOM    359  CE1 HIS A 175      -9.115  20.630   6.562  1.00 34.34           C  
-ATOM    360  NE2 HIS A 175      -8.275  21.461   7.161  1.00 33.71           N  
-ATOM    361  N   ASP A 176      -6.480  17.187   4.018  1.00 20.61           N  
-ATOM    362  CA  ASP A 176      -7.153  15.906   4.241  1.00 20.04           C  
-ATOM    363  C   ASP A 176      -6.292  14.905   5.002  1.00 21.32           C  
-ATOM    364  O   ASP A 176      -6.819  14.095   5.822  1.00 21.74           O  
-ATOM    365  CB  ASP A 176      -7.571  15.304   2.878  1.00 21.03           C  
-ATOM    366  CG  ASP A 176      -8.337  13.991   3.017  1.00 21.24           C  
-ATOM    367  OD1 ASP A 176      -9.446  14.047   3.559  1.00 22.66           O  
-ATOM    368  OD2 ASP A 176      -7.855  12.940   2.603  1.00 22.20           O  
-ATOM    369  N   ARG A 177      -4.983  14.901   4.714  1.00 19.30           N  
-ATOM    370  CA  ARG A 177      -4.115  13.858   5.214  1.00 20.48           C  
-ATOM    371  C   ARG A 177      -3.422  14.298   6.512  1.00 21.49           C  
-ATOM    372  O   ARG A 177      -2.654  13.546   7.089  1.00 21.63           O  
-ATOM    373  CB  ARG A 177      -3.120  13.416   4.137  1.00 19.79           C  
-ATOM    374  CG  ARG A 177      -3.775  12.691   2.922  1.00 22.42           C  
-ATOM    375  CD  ARG A 177      -4.514  11.395   3.371  1.00 26.50           C  
-ATOM    376  NE  ARG A 177      -3.493  10.403   3.669  1.00 29.76           N  
-ATOM    377  CZ  ARG A 177      -3.011   9.541   2.794  1.00 29.76           C  
-ATOM    378  NH1 ARG A 177      -3.555   9.443   1.590  1.00 28.78           N  
-ATOM    379  NH2 ARG A 177      -2.028   8.728   3.152  1.00 30.37           N  
-ATOM    380  N   TYR A 178      -3.763  15.485   6.984  1.00 23.91           N  
-ATOM    381  CA  TYR A 178      -3.064  16.099   8.120  1.00 25.98           C  
-ATOM    382  C   TYR A 178      -3.314  15.287   9.380  1.00 28.65           C  
-ATOM    383  O   TYR A 178      -4.429  14.816   9.592  1.00 29.08           O  
-ATOM    384  CB  TYR A 178      -3.563  17.517   8.329  1.00 26.16           C  
-ATOM    385  CG  TYR A 178      -2.540  18.481   8.893  1.00 24.74           C  
-ATOM    386  CD1 TYR A 178      -1.507  18.943   8.096  1.00 22.97           C  
-ATOM    387  CD2 TYR A 178      -2.629  18.951  10.212  1.00 23.24           C  
-ATOM    388  CE1 TYR A 178      -0.587  19.840   8.576  1.00 21.17           C  
-ATOM    389  CE2 TYR A 178      -1.714  19.873  10.708  1.00 22.60           C  
-ATOM    390  CZ  TYR A 178      -0.681  20.287   9.896  1.00 22.30           C  
-ATOM    391  OH  TYR A 178       0.219  21.206  10.338  1.00 21.36           O  
-ATOM    392  N   ASP A 179      -2.296  15.123  10.221  1.00 30.95           N  
-ATOM    393  CA  ASP A 179      -2.452  14.325  11.467  1.00 33.80           C  
-ATOM    394  C   ASP A 179      -3.157  15.222  12.474  1.00 35.68           C  
-ATOM    395  O   ASP A 179      -2.531  15.818  13.367  1.00 35.95           O  
-ATOM    396  CB  ASP A 179      -1.112  13.796  11.975  1.00 33.89           C  
-ATOM    397  CG  ASP A 179      -1.252  12.701  13.060  1.00 36.72           C  
-ATOM    398  OD1 ASP A 179      -2.393  12.348  13.440  1.00 39.87           O  
-ATOM    399  OD2 ASP A 179      -0.200  12.186  13.526  1.00 40.61           O  
-ATOM    400  N   HIS A 180      -4.471  15.352  12.279  1.00 38.10           N  
-ATOM    401  CA  HIS A 180      -5.284  16.222  13.107  1.00 40.46           C  
-ATOM    402  C   HIS A 180      -5.412  15.559  14.494  1.00 41.62           C  
-ATOM    403  O   HIS A 180      -5.863  16.214  15.434  1.00 43.31           O  
-ATOM    404  CB  HIS A 180      -6.670  16.522  12.480  1.00 40.64           C  
-ATOM    405  CG  HIS A 180      -6.630  17.350  11.219  1.00 42.29           C  
-ATOM    406  ND1 HIS A 180      -6.381  18.708  11.219  1.00 43.75           N  
-ATOM    407  CD2 HIS A 180      -6.847  17.012   9.919  1.00 43.36           C  
-ATOM    408  CE1 HIS A 180      -6.436  19.169   9.976  1.00 45.64           C  
-ATOM    409  NE2 HIS A 180      -6.728  18.161   9.168  1.00 45.07           N  
-ATOM    410  N   GLN A 181      -5.004  14.288  14.636  1.00 43.11           N  
-ATOM    411  CA  GLN A 181      -4.837  13.653  15.969  1.00 44.26           C  
-ATOM    412  C   GLN A 181      -3.779  14.359  16.847  1.00 45.20           C  
-ATOM    413  O   GLN A 181      -4.133  15.000  17.855  1.00 45.91           O  
-ATOM    414  CB  GLN A 181      -4.484  12.158  15.841  1.00 44.45           C  
-ATOM    415  N   GLN A 182      -2.496  14.241  16.475  1.00 45.34           N  
-ATOM    416  CA  GLN A 182      -1.407  14.886  17.220  1.00 45.36           C  
-ATOM    417  C   GLN A 182      -1.533  16.395  17.220  1.00 44.81           C  
-ATOM    418  O   GLN A 182      -1.221  17.072  18.213  1.00 45.60           O  
-ATOM    419  CB  GLN A 182      -0.058  14.542  16.615  1.00 45.89           C  
-ATOM    420  CG  GLN A 182       0.283  13.073  16.616  1.00 48.32           C  
-ATOM    421  CD  GLN A 182       1.673  12.786  16.067  1.00 51.36           C  
-ATOM    422  OE1 GLN A 182       2.631  13.492  16.383  1.00 53.98           O  
-ATOM    423  NE2 GLN A 182       1.791  11.735  15.247  1.00 53.90           N  
-ATOM    424  N   PHE A 183      -1.980  16.942  16.100  1.00 43.75           N  
-ATOM    425  CA  PHE A 183      -1.932  18.362  15.905  1.00 42.92           C  
-ATOM    426  C   PHE A 183      -3.324  18.928  15.798  1.00 43.75           C  
-ATOM    427  O   PHE A 183      -4.286  18.220  15.444  1.00 44.51           O  
-ATOM    428  CB  PHE A 183      -1.082  18.697  14.657  1.00 41.89           C  
-ATOM    429  CG  PHE A 183       0.249  17.975  14.623  1.00 39.06           C  
-ATOM    430  CD1 PHE A 183       0.537  17.045  13.622  1.00 35.01           C  
-ATOM    431  CD2 PHE A 183       1.204  18.201  15.619  1.00 36.01           C  
-ATOM    432  CE1 PHE A 183       1.744  16.374  13.591  1.00 34.72           C  
-ATOM    433  CE2 PHE A 183       2.423  17.505  15.609  1.00 35.59           C  
-ATOM    434  CZ  PHE A 183       2.697  16.610  14.590  1.00 34.60           C  
-ATOM    435  N   LYS A 184      -3.400  20.220  16.102  1.00 43.69           N  
-ATOM    436  CA  LYS A 184      -4.616  21.013  16.042  1.00 43.48           C  
-ATOM    437  C   LYS A 184      -5.310  20.893  14.682  1.00 43.19           C  
-ATOM    438  O   LYS A 184      -4.682  20.554  13.662  1.00 42.96           O  
-ATOM    439  CB  LYS A 184      -4.294  22.498  16.319  1.00 43.53           C  
-ATOM    440  N   LYS A 185      -6.610  21.176  14.690  1.00 42.00           N  
-ATOM    441  CA  LYS A 185      -7.352  21.360  13.464  1.00 40.88           C  
-ATOM    442  C   LYS A 185      -6.866  22.688  12.884  1.00 39.59           C  
-ATOM    443  O   LYS A 185      -6.925  23.755  13.525  1.00 40.39           O  
-ATOM    444  CB  LYS A 185      -8.875  21.356  13.707  1.00 40.97           C  
-ATOM    445  N   ARG A 186      -6.341  22.597  11.674  1.00 37.23           N  
-ATOM    446  CA  ARG A 186      -5.828  23.738  10.963  1.00 34.82           C  
-ATOM    447  C   ARG A 186      -6.696  23.878   9.743  1.00 33.78           C  
-ATOM    448  O   ARG A 186      -7.060  22.868   9.127  1.00 34.16           O  
-ATOM    449  CB  ARG A 186      -4.398  23.457  10.537  1.00 34.06           C  
-ATOM    450  CG  ARG A 186      -3.459  23.226  11.715  1.00 31.89           C  
-ATOM    451  CD  ARG A 186      -2.957  24.556  12.274  1.00 27.85           C  
-ATOM    452  NE  ARG A 186      -1.844  24.324  13.190  1.00 25.53           N  
-ATOM    453  CZ  ARG A 186      -1.368  25.237  14.030  1.00 25.39           C  
-ATOM    454  NH1 ARG A 186      -1.901  26.448  14.072  1.00 25.24           N  
-ATOM    455  NH2 ARG A 186      -0.365  24.931  14.825  1.00 23.20           N  
-ATOM    456  N   SER A 187      -7.024  25.113   9.398  1.00 31.71           N  
-ATOM    457  CA  SER A 187      -7.651  25.393   8.120  1.00 30.43           C  
-ATOM    458  C   SER A 187      -6.646  25.224   6.991  1.00 29.86           C  
-ATOM    459  O   SER A 187      -5.447  25.228   7.221  1.00 28.70           O  
-ATOM    460  CB  SER A 187      -8.229  26.800   8.089  1.00 30.16           C  
-ATOM    461  OG  SER A 187      -7.240  27.823   7.994  1.00 27.89           O  
-ATOM    462  N   VAL A 188      -7.144  25.076   5.773  1.00 28.86           N  
-ATOM    463  CA  VAL A 188      -6.276  25.057   4.601  1.00 28.24           C  
-ATOM    464  C   VAL A 188      -5.460  26.349   4.578  1.00 28.52           C  
-ATOM    465  O   VAL A 188      -4.258  26.367   4.252  1.00 27.41           O  
-ATOM    466  CB  VAL A 188      -7.103  24.851   3.313  1.00 28.82           C  
-ATOM    467  CG1 VAL A 188      -6.277  25.100   2.061  1.00 28.21           C  
-ATOM    468  CG2 VAL A 188      -7.712  23.443   3.321  1.00 28.96           C  
-ATOM    469  N   GLU A 189      -6.122  27.442   4.958  1.00 27.55           N  
-ATOM    470  CA  GLU A 189      -5.507  28.751   4.948  1.00 27.63           C  
-ATOM    471  C   GLU A 189      -4.383  28.845   5.995  1.00 25.06           C  
-ATOM    472  O   GLU A 189      -3.353  29.430   5.696  1.00 25.07           O  
-ATOM    473  CB  GLU A 189      -6.606  29.837   5.175  1.00 28.21           C  
-ATOM    474  CG  GLU A 189      -7.551  29.995   3.989  1.00 31.68           C  
-ATOM    475  CD  GLU A 189      -6.789  30.309   2.711  1.00 37.01           C  
-ATOM    476  OE1 GLU A 189      -5.947  31.262   2.739  1.00 41.64           O  
-ATOM    477  OE2 GLU A 189      -6.988  29.570   1.701  1.00 42.16           O  
-ATOM    478  N   ASP A 190      -4.581  28.251   7.183  1.00 24.16           N  
-ATOM    479  CA  ASP A 190      -3.547  28.158   8.240  1.00 23.58           C  
-ATOM    480  C   ASP A 190      -2.294  27.440   7.711  1.00 22.14           C  
-ATOM    481  O   ASP A 190      -1.147  27.888   7.934  1.00 19.81           O  
-ATOM    482  CB  ASP A 190      -4.069  27.383   9.469  1.00 24.50           C  
-ATOM    483  CG  ASP A 190      -5.179  28.131  10.230  1.00 28.14           C  
-ATOM    484  OD1 ASP A 190      -5.300  29.362  10.013  1.00 28.23           O  
-ATOM    485  OD2 ASP A 190      -5.909  27.458  11.018  1.00 29.79           O  
-ATOM    486  N   LEU A 191      -2.533  26.363   6.969  1.00 19.43           N  
-ATOM    487  CA  LEU A 191      -1.426  25.559   6.407  1.00 20.01           C  
-ATOM    488  C   LEU A 191      -0.662  26.316   5.351  1.00 18.36           C  
-ATOM    489  O   LEU A 191       0.558  26.347   5.340  1.00 16.03           O  
-ATOM    490  CB  LEU A 191      -1.949  24.244   5.851  1.00 18.99           C  
-ATOM    491  CG  LEU A 191      -2.731  23.361   6.815  1.00 21.41           C  
-ATOM    492  CD1 LEU A 191      -3.076  22.089   6.058  1.00 20.95           C  
-ATOM    493  CD2 LEU A 191      -2.007  23.022   8.138  1.00 21.03           C  
-ATOM    494  N   LYS A 192      -1.376  26.986   4.450  1.00 18.32           N  
-ATOM    495  CA  LYS A 192      -0.699  27.760   3.427  1.00 19.01           C  
-ATOM    496  C   LYS A 192       0.079  28.931   3.994  1.00 19.13           C  
-ATOM    497  O   LYS A 192       1.172  29.219   3.528  1.00 18.70           O  
-ATOM    498  CB  LYS A 192      -1.690  28.302   2.405  1.00 19.96           C  
-ATOM    499  CG  LYS A 192      -2.315  27.259   1.525  1.00 23.11           C  
-ATOM    500  CD  LYS A 192      -2.831  27.942   0.214  1.00 25.93           C  
-ATOM    501  CE  LYS A 192      -4.014  27.267  -0.371  1.00 30.66           C  
-ATOM    502  N   GLU A 193      -0.475  29.618   4.993  1.00 17.94           N  
-ATOM    503  CA  GLU A 193       0.198  30.789   5.564  1.00 18.54           C  
-ATOM    504  C   GLU A 193       1.485  30.395   6.277  1.00 16.39           C  
-ATOM    505  O   GLU A 193       2.481  31.077   6.160  1.00 17.34           O  
-ATOM    506  CB  GLU A 193      -0.721  31.530   6.539  1.00 19.54           C  
-ATOM    507  CG  GLU A 193      -1.880  32.272   5.793  1.00 27.87           C  
-ATOM    508  CD  GLU A 193      -1.414  33.205   4.650  1.00 33.74           C  
-ATOM    509  OE1 GLU A 193      -0.448  33.989   4.821  1.00 41.47           O  
-ATOM    510  OE2 GLU A 193      -2.030  33.163   3.550  1.00 42.15           O  
-ATOM    511  N   ARG A 194       1.460  29.261   6.946  1.00 14.84           N  
-ATOM    512  CA  ARG A 194       2.633  28.762   7.660  1.00 14.22           C  
-ATOM    513  C   ARG A 194       3.711  28.411   6.629  1.00 13.73           C  
-ATOM    514  O   ARG A 194       4.846  28.830   6.754  1.00 12.83           O  
-ATOM    515  CB  ARG A 194       2.273  27.531   8.492  1.00 14.49           C  
-ATOM    516  CG  ARG A 194       3.448  26.933   9.260  1.00 14.85           C  
-ATOM    517  CD  ARG A 194       4.133  27.921  10.222  1.00 15.93           C  
-ATOM    518  NE  ARG A 194       5.136  27.245  11.044  1.00 14.46           N  
-ATOM    519  CZ  ARG A 194       6.199  27.835  11.596  1.00 15.74           C  
-ATOM    520  NH1 ARG A 194       6.456  29.124  11.397  1.00 16.15           N  
-ATOM    521  NH2 ARG A 194       7.021  27.127  12.334  1.00 16.29           N  
-ATOM    522  N   TYR A 195       3.339  27.663   5.601  1.00 13.41           N  
-ATOM    523  CA  TYR A 195       4.270  27.243   4.540  1.00 13.15           C  
-ATOM    524  C   TYR A 195       4.896  28.433   3.858  1.00 14.47           C  
-ATOM    525  O   TYR A 195       6.107  28.496   3.764  1.00 14.07           O  
-ATOM    526  CB  TYR A 195       3.553  26.393   3.512  1.00 14.09           C  
-ATOM    527  CG  TYR A 195       4.480  25.840   2.426  1.00 14.36           C  
-ATOM    528  CD1 TYR A 195       5.155  24.649   2.651  1.00 21.81           C  
-ATOM    529  CD2 TYR A 195       4.644  26.464   1.208  1.00 21.48           C  
-ATOM    530  CE1 TYR A 195       5.981  24.109   1.708  1.00 22.52           C  
-ATOM    531  CE2 TYR A 195       5.538  25.924   0.234  1.00 18.22           C  
-ATOM    532  CZ  TYR A 195       6.172  24.748   0.521  1.00 20.85           C  
-ATOM    533  OH  TYR A 195       7.009  24.094  -0.372  1.00 22.92           O  
-ATOM    534  N  ATYR A 196       4.123  29.404   3.422  0.50 15.25           N  
-ATOM    535  N  BTYR A 196       3.998  29.334   3.415  0.50 15.35           N  
-ATOM    536  CA ATYR A 196       4.750  30.465   2.669  0.50 16.29           C  
-ATOM    537  CA BTYR A 196       4.280  30.623   2.777  0.50 16.23           C  
-ATOM    538  C  ATYR A 196       5.438  31.562   3.532  0.50 15.71           C  
-ATOM    539  C  BTYR A 196       5.325  31.461   3.533  0.50 15.85           C  
-ATOM    540  O  ATYR A 196       6.355  32.223   3.056  0.50 15.55           O  
-ATOM    541  O  BTYR A 196       6.331  31.883   2.985  0.50 15.39           O  
-ATOM    542  CB ATYR A 196       3.786  30.974   1.625  0.50 16.04           C  
-ATOM    543  CB BTYR A 196       3.003  31.466   2.665  0.50 16.61           C  
-ATOM    544  CG ATYR A 196       3.554  29.949   0.508  0.50 14.72           C  
-ATOM    545  CG BTYR A 196       2.001  31.060   1.585  0.50 18.12           C  
-ATOM    546  CD1ATYR A 196       4.576  29.601  -0.370  0.50 12.94           C  
-ATOM    547  CD1BTYR A 196       2.357  30.206   0.542  0.50 20.27           C  
-ATOM    548  CD2ATYR A 196       2.319  29.372   0.314  0.50 14.09           C  
-ATOM    549  CD2BTYR A 196       0.694  31.553   1.610  0.50 21.51           C  
-ATOM    550  CE1ATYR A 196       4.369  28.686  -1.387  0.50 14.54           C  
-ATOM    551  CE1BTYR A 196       1.431  29.861  -0.451  0.50 20.15           C  
-ATOM    552  CE2ATYR A 196       2.103  28.471  -0.714  0.50 13.10           C  
-ATOM    553  CE2BTYR A 196      -0.231  31.206   0.632  0.50 21.37           C  
-ATOM    554  CZ ATYR A 196       3.133  28.144  -1.566  0.50 11.98           C  
-ATOM    555  CZ BTYR A 196       0.137  30.367  -0.382  0.50 21.84           C  
-ATOM    556  OH ATYR A 196       2.941  27.238  -2.589  0.50 14.14           O  
-ATOM    557  OH BTYR A 196      -0.799  30.070  -1.344  0.50 22.08           O  
-ATOM    558  N   HIS A 197       5.027  31.727   4.785  1.00 16.34           N  
-ATOM    559  CA AHIS A 197       5.839  32.497   5.766  0.50 16.13           C  
-ATOM    560  CA BHIS A 197       5.864  32.569   5.598  0.50 16.19           C  
-ATOM    561  C   HIS A 197       7.242  31.950   5.818  1.00 15.88           C  
-ATOM    562  O   HIS A 197       8.246  32.680   5.745  1.00 13.80           O  
-ATOM    563  CB AHIS A 197       5.255  32.423   7.193  0.50 16.96           C  
-ATOM    564  CB BHIS A 197       5.113  32.979   6.877  0.50 17.10           C  
-ATOM    565  CG AHIS A 197       6.119  33.078   8.240  0.50 19.08           C  
-ATOM    566  CG BHIS A 197       4.046  34.009   6.625  0.50 18.68           C  
-ATOM    567  ND1AHIS A 197       6.929  32.362   9.101  0.50 22.11           N  
-ATOM    568  ND1BHIS A 197       2.795  33.692   6.132  0.50 21.03           N  
-ATOM    569  CD2AHIS A 197       6.285  34.380   8.572  0.50 20.49           C  
-ATOM    570  CD2BHIS A 197       4.066  35.357   6.754  0.50 19.25           C  
-ATOM    571  CE1AHIS A 197       7.568  33.193   9.901  0.50 21.08           C  
-ATOM    572  CE1BHIS A 197       2.085  34.797   6.000  0.50 21.74           C  
-ATOM    573  NE2AHIS A 197       7.198  34.424   9.598  0.50 22.66           N  
-ATOM    574  NE2BHIS A 197       2.832  35.820   6.371  0.50 21.02           N  
-ATOM    575  N   ILE A 198       7.324  30.621   5.976  1.00 14.55           N  
-ATOM    576  CA  ILE A 198       8.656  29.960   6.024  1.00 13.20           C  
-ATOM    577  C   ILE A 198       9.441  30.132   4.712  1.00 12.61           C  
-ATOM    578  O   ILE A 198      10.623  30.446   4.733  1.00 12.46           O  
-ATOM    579  CB  ILE A 198       8.509  28.487   6.420  1.00 13.09           C  
-ATOM    580  CG1 ILE A 198       8.094  28.393   7.896  1.00 13.64           C  
-ATOM    581  CG2 ILE A 198       9.762  27.639   6.046  1.00 13.65           C  
-ATOM    582  CD1 ILE A 198       7.622  26.940   8.346  1.00 13.93           C  
-ATOM    583  N   CYS A 199       8.771  29.987   3.574  1.00 13.05           N  
-ATOM    584  CA  CYS A 199       9.419  30.181   2.278  1.00 13.96           C  
-ATOM    585  C   CYS A 199      10.061  31.574   2.158  1.00 13.85           C  
-ATOM    586  O   CYS A 199      11.233  31.691   1.756  1.00 15.18           O  
-ATOM    587  CB  CYS A 199       8.395  29.943   1.167  1.00 13.81           C  
-ATOM    588  SG  CYS A 199       8.025  28.242   0.863  1.00 13.76           S  
-ATOM    589  N   ALA A 200       9.297  32.593   2.564  1.00 14.14           N  
-ATOM    590  CA  ALA A 200       9.708  34.003   2.535  1.00 14.93           C  
-ATOM    591  C   ALA A 200      10.865  34.230   3.501  1.00 14.30           C  
-ATOM    592  O   ALA A 200      11.908  34.782   3.131  1.00 15.39           O  
-ATOM    593  CB  ALA A 200       8.523  34.939   2.826  1.00 14.91           C  
-ATOM    594  N   LYS A 201      10.745  33.715   4.718  1.00 15.45           N  
-ATOM    595  CA  LYS A 201      11.835  33.838   5.692  1.00 15.05           C  
-ATOM    596  C   LYS A 201      13.123  33.195   5.219  1.00 14.60           C  
-ATOM    597  O   LYS A 201      14.185  33.827   5.313  1.00 14.96           O  
-ATOM    598  CB  LYS A 201      11.418  33.268   7.046  1.00 15.53           C  
-ATOM    599  CG  LYS A 201      12.432  33.553   8.138  1.00 16.88           C  
-ATOM    600  CD  LYS A 201      12.598  35.064   8.335  1.00 20.28           C  
-ATOM    601  N   LEU A 202      13.061  31.980   4.657  1.00 13.45           N  
-ATOM    602  CA  LEU A 202      14.224  31.296   4.135  1.00 14.36           C  
-ATOM    603  C   LEU A 202      14.857  32.053   2.955  1.00 15.14           C  
-ATOM    604  O   LEU A 202      16.081  32.169   2.887  1.00 17.01           O  
-ATOM    605  CB  LEU A 202      13.938  29.845   3.719  1.00 14.66           C  
-ATOM    606  CG  LEU A 202      13.572  28.900   4.884  1.00 13.67           C  
-ATOM    607  CD1 LEU A 202      13.106  27.556   4.327  1.00 12.09           C  
-ATOM    608  CD2 LEU A 202      14.753  28.737   5.890  1.00 13.97           C  
-ATOM    609  N   ALA A 203      14.030  32.529   2.028  1.00 15.77           N  
-ATOM    610  CA  ALA A 203      14.524  33.354   0.920  1.00 16.89           C  
-ATOM    611  C   ALA A 203      15.363  34.515   1.437  1.00 16.79           C  
-ATOM    612  O   ALA A 203      16.438  34.814   0.905  1.00 17.83           O  
-ATOM    613  CB  ALA A 203      13.361  33.861   0.064  1.00 15.09           C  
-ATOM    614  N   ASN A 204      14.839  35.195   2.443  1.00 17.46           N  
-ATOM    615  CA  ASN A 204      15.534  36.331   3.057  1.00 19.26           C  
-ATOM    616  C   ASN A 204      16.852  35.972   3.757  1.00 20.19           C  
-ATOM    617  O   ASN A 204      17.903  36.572   3.480  1.00 20.88           O  
-ATOM    618  CB  ASN A 204      14.585  37.043   4.013  1.00 18.57           C  
-ATOM    619  CG  ASN A 204      13.486  37.807   3.304  1.00 21.00           C  
-ATOM    620  OD1 ASN A 204      13.668  38.323   2.203  1.00 27.31           O  
-ATOM    621  ND2 ASN A 204      12.358  37.881   3.925  1.00 23.97           N  
-ATOM    622  N   VAL A 205      16.821  34.981   4.640  1.00 21.72           N  
-ATOM    623  CA  VAL A 205      18.016  34.665   5.403  1.00 22.32           C  
-ATOM    624  C   VAL A 205      19.077  34.032   4.518  1.00 23.18           C  
-ATOM    625  O   VAL A 205      20.261  34.102   4.811  1.00 23.45           O  
-ATOM    626  CB  VAL A 205      17.697  33.795   6.647  1.00 22.60           C  
-ATOM    627  CG1 VAL A 205      16.602  34.476   7.488  1.00 21.91           C  
-ATOM    628  CG2 VAL A 205      17.372  32.391   6.263  1.00 21.02           C  
-ATOM    629  N   ARG A 206      18.692  33.415   3.414  1.00 23.04           N  
-ATOM    630  CA  ARG A 206      19.684  32.762   2.597  1.00 23.65           C  
-ATOM    631  C   ARG A 206      20.304  33.722   1.581  1.00 25.25           C  
-ATOM    632  O   ARG A 206      21.176  33.306   0.808  1.00 26.57           O  
-ATOM    633  CB  ARG A 206      19.092  31.586   1.879  1.00 22.72           C  
-ATOM    634  CG  ARG A 206      18.713  30.492   2.829  1.00 20.58           C  
-ATOM    635  CD  ARG A 206      17.953  29.408   2.126  1.00 19.90           C  
-ATOM    636  NE  ARG A 206      17.678  28.292   3.038  1.00 18.61           N  
-ATOM    637  CZ  ARG A 206      17.026  27.190   2.712  1.00 18.73           C  
-ATOM    638  NH1 ARG A 206      16.519  27.009   1.482  1.00 17.13           N  
-ATOM    639  NH2 ARG A 206      16.874  26.240   3.624  1.00 20.85           N  
-ATOM    640  N   ALA A 207      19.833  34.961   1.572  1.00 25.77           N  
-ATOM    641  CA  ALA A 207      20.391  35.997   0.711  1.00 27.47           C  
-ATOM    642  C   ALA A 207      21.708  36.469   1.305  1.00 29.25           C  
-ATOM    643  O   ALA A 207      22.662  36.576   0.545  1.00 32.45           O  
-ATOM    644  CB  ALA A 207      19.464  37.152   0.597  1.00 27.13           C  

Deleted: SwiftApps/modFTDock/input/3kgr-3.pdb
===================================================================
--- SwiftApps/modFTDock/input/3kgr-3.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/3kgr-3.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,804 +0,0 @@
-ATOM      1  N   ASP C  25      20.523  46.535   3.095  1.00 56.45           N  
-ATOM      2  CA  ASP C  25      20.519  47.845   3.745  1.00 55.16           C  
-ATOM      3  C   ASP C  25      19.117  48.274   4.188  1.00 48.76           C  
-ATOM      4  O   ASP C  25      18.549  49.228   3.655  1.00 46.79           O  
-ATOM      5  CB  ASP C  25      21.136  48.897   2.827  1.00 56.86           C  
-ATOM      6  CG  ASP C  25      20.498  48.921   1.447  1.00 57.09           C  
-ATOM      7  OD1 ASP C  25      19.879  47.903   1.061  1.00 59.16           O  
-ATOM      8  OD2 ASP C  25      20.626  49.959   0.751  1.00 51.21           O  
-ATOM      9  N   LEU C  26      18.573  47.552   5.165  1.00 44.85           N  
-ATOM     10  CA  LEU C  26      17.249  47.828   5.713  1.00 35.92           C  
-ATOM     11  C   LEU C  26      17.285  49.068   6.614  1.00 24.48           C  
-ATOM     12  O   LEU C  26      18.180  49.211   7.448  1.00 29.03           O  
-ATOM     13  CB  LEU C  26      16.769  46.617   6.520  1.00 37.44           C  
-ATOM     14  CG  LEU C  26      16.015  45.485   5.826  1.00 39.17           C  
-ATOM     15  CD1 LEU C  26      16.169  45.569   4.326  1.00 44.02           C  
-ATOM     16  CD2 LEU C  26      16.523  44.148   6.341  1.00 36.83           C  
-ATOM     17  N   PRO C  27      16.310  49.969   6.449  1.00 19.56           N  
-ATOM     18  CA  PRO C  27      16.183  51.139   7.329  1.00 20.90           C  
-ATOM     19  C   PRO C  27      16.014  50.710   8.787  1.00 23.62           C  
-ATOM     20  O   PRO C  27      15.309  49.731   9.055  1.00 24.65           O  
-ATOM     21  CB  PRO C  27      14.899  51.819   6.838  1.00 25.92           C  
-ATOM     22  CG  PRO C  27      14.645  51.253   5.465  1.00 27.84           C  
-ATOM     23  CD  PRO C  27      15.228  49.884   5.456  1.00 18.38           C  
-ATOM     24  N   ARG C  28      16.653  51.421   9.712  1.00 17.17           N  
-ATOM     25  CA  ARG C  28      16.540  51.093  11.127  1.00 17.35           C  
-ATOM     26  C   ARG C  28      15.092  51.298  11.563  1.00 13.03           C  
-ATOM     27  O   ARG C  28      14.503  52.324  11.236  1.00 14.57           O  
-ATOM     28  CB  ARG C  28      17.491  51.961  11.972  1.00 16.57           C  
-ATOM     29  CG  ARG C  28      17.375  51.711  13.472  1.00 21.36           C  
-ATOM     30  CD  ARG C  28      18.332  52.568  14.317  1.00 31.78           C  
-ATOM     31  NE  ARG C  28      19.711  52.574  13.818  1.00 40.74           N  
-ATOM     32  CZ  ARG C  28      20.578  51.566  13.933  1.00 41.53           C  
-ATOM     33  NH1 ARG C  28      21.810  51.684  13.449  1.00 42.00           N  
-ATOM     34  NH2 ARG C  28      20.220  50.441  14.521  1.00 38.54           N  
-ATOM     35  N   PRO C  29      14.503  50.314  12.282  1.00 16.71           N  
-ATOM     36  CA  PRO C  29      13.114  50.465  12.731  1.00 17.58           C  
-ATOM     37  C   PRO C  29      13.015  51.532  13.813  1.00 16.15           C  
-ATOM     38  O   PRO C  29      14.031  51.858  14.442  1.00 17.89           O  
-ATOM     39  CB  PRO C  29      12.795  49.086  13.333  1.00 19.14           C  
-ATOM     40  CG  PRO C  29      14.130  48.577  13.787  1.00 17.82           C  
-ATOM     41  CD  PRO C  29      15.037  48.989  12.648  1.00 16.35           C  
-ATOM     42  N   SER C  30      11.820  52.075  14.021  1.00 15.08           N  
-ATOM     43  CA  SER C  30      11.572  52.937  15.172  1.00 13.29           C  
-ATOM     44  C   SER C  30      10.577  52.302  16.149  1.00 14.55           C  
-ATOM     45  O   SER C  30       9.713  51.526  15.754  1.00 11.33           O  
-ATOM     46  CB  SER C  30      11.065  54.312  14.726  1.00 21.76           C  
-ATOM     47  OG  SER C  30       9.794  54.208  14.107  1.00 23.64           O  
-ATOM     48  N   ILE C  31      10.708  52.653  17.426  1.00 16.21           N  
-ATOM     49  CA  ILE C  31       9.776  52.204  18.443  1.00 13.21           C  
-ATOM     50  C   ILE C  31       9.135  53.403  19.141  1.00 17.16           C  
-ATOM     51  O   ILE C  31       9.809  54.375  19.464  1.00 19.24           O  
-ATOM     52  CB  ILE C  31      10.454  51.266  19.484  1.00 13.53           C  
-ATOM     53  CG1 ILE C  31       9.408  50.680  20.451  1.00 12.76           C  
-ATOM     54  CG2 ILE C  31      11.592  51.984  20.230  1.00 10.56           C  
-ATOM     55  CD1 ILE C  31       9.978  49.604  21.386  1.00 11.90           C  
-ATOM     56  N  ASER C  32       7.824  53.325  19.351  0.69 15.31           N  
-ATOM     57  N  BSER C  32       7.828  53.321  19.362  0.31 15.27           N  
-ATOM     58  CA ASER C  32       7.084  54.352  20.076  0.69 16.43           C  
-ATOM     59  CA BSER C  32       7.107  54.349  20.097  0.31 16.26           C  
-ATOM     60  C  ASER C  32       6.130  53.684  21.056  0.69 16.14           C  
-ATOM     61  C  BSER C  32       6.099  53.697  21.030  0.31 17.16           C  
-ATOM     62  O  ASER C  32       5.818  52.504  20.925  0.69 21.09           O  
-ATOM     63  O  BSER C  32       5.724  52.541  20.845  0.31 19.75           O  
-ATOM     64  CB ASER C  32       6.294  55.239  19.108  0.69 16.56           C  
-ATOM     65  CB BSER C  32       6.397  55.307  19.138  0.31 15.95           C  
-ATOM     66  OG ASER C  32       7.076  55.634  17.990  0.69 12.50           O  
-ATOM     67  OG BSER C  32       5.317  54.667  18.477  0.31 15.52           O  
-ATOM     68  N   ALA C  33       5.662  54.442  22.037  1.00 20.80           N  
-ATOM     69  CA  ALA C  33       4.685  53.939  22.985  1.00 21.68           C  
-ATOM     70  C   ALA C  33       3.453  54.843  22.978  1.00 29.26           C  
-ATOM     71  O   ALA C  33       3.562  56.061  22.806  1.00 27.50           O  
-ATOM     72  CB  ALA C  33       5.289  53.847  24.382  1.00 18.84           C  
-ATOM     73  N   GLU C  34       2.287  54.229  23.146  1.00 33.53           N  
-ATOM     74  CA  GLU C  34       1.024  54.943  23.245  1.00 32.27           C  
-ATOM     75  C   GLU C  34       0.284  54.461  24.489  1.00 36.21           C  
-ATOM     76  O   GLU C  34       0.149  53.257  24.704  1.00 38.32           O  
-ATOM     77  CB  GLU C  34       0.189  54.700  21.988  1.00 34.54           C  
-ATOM     78  CG  GLU C  34       0.852  55.190  20.689  1.00 33.02           C  
-ATOM     79  CD  GLU C  34       0.006  54.910  19.444  1.00 32.44           C  
-ATOM     80  OE1 GLU C  34      -1.154  54.468  19.590  1.00 32.65           O  
-ATOM     81  OE2 GLU C  34       0.499  55.136  18.319  1.00 33.99           O  
-ATOM     82  N   PRO C  35      -0.201  55.399  25.323  1.00 39.77           N  
-ATOM     83  CA  PRO C  35      -0.183  56.854  25.116  1.00 39.64           C  
-ATOM     84  C   PRO C  35       1.186  57.484  25.392  1.00 41.76           C  
-ATOM     85  O   PRO C  35       1.510  58.538  24.838  1.00 43.51           O  
-ATOM     86  CB  PRO C  35      -1.204  57.354  26.134  1.00 34.36           C  
-ATOM     87  CG  PRO C  35      -1.153  56.357  27.238  1.00 35.97           C  
-ATOM     88  CD  PRO C  35      -0.743  55.036  26.646  1.00 41.01           C  
-ATOM     89  N   GLY C  36       1.983  56.843  26.240  1.00 35.90           N  
-ATOM     90  CA  GLY C  36       3.327  57.316  26.493  1.00 31.13           C  
-ATOM     91  C   GLY C  36       4.207  56.307  27.196  1.00 29.26           C  
-ATOM     92  O   GLY C  36       3.809  55.172  27.443  1.00 28.48           O  
-ATOM     93  N   THR C  37       5.418  56.736  27.522  1.00 33.21           N  
-ATOM     94  CA  THR C  37       6.393  55.865  28.147  1.00 33.79           C  
-ATOM     95  C   THR C  37       6.210  55.827  29.655  1.00 36.22           C  
-ATOM     96  O   THR C  37       6.856  55.041  30.347  1.00 29.81           O  
-ATOM     97  CB  THR C  37       7.821  56.296  27.794  1.00 29.93           C  
-ATOM     98  OG1 THR C  37       7.955  57.705  27.993  1.00 30.29           O  
-ATOM     99  CG2 THR C  37       8.124  55.970  26.341  1.00 29.86           C  
-ATOM    100  N   VAL C  38       5.313  56.673  30.157  1.00 46.12           N  
-ATOM    101  CA  VAL C  38       5.007  56.713  31.585  1.00 47.35           C  
-ATOM    102  C   VAL C  38       3.591  56.199  31.853  1.00 45.80           C  
-ATOM    103  O   VAL C  38       2.604  56.848  31.510  1.00 39.50           O  
-ATOM    104  CB  VAL C  38       5.172  58.128  32.166  1.00 44.14           C  
-ATOM    105  CG1 VAL C  38       5.175  58.060  33.684  1.00 44.43           C  
-ATOM    106  CG2 VAL C  38       6.453  58.772  31.644  1.00 38.62           C  
-ATOM    107  N   ILE C  39       3.505  55.026  32.470  1.00 49.22           N  
-ATOM    108  CA  ILE C  39       2.235  54.329  32.614  1.00 53.06           C  
-ATOM    109  C   ILE C  39       1.984  53.901  34.060  1.00 54.31           C  
-ATOM    110  O   ILE C  39       2.851  53.304  34.703  1.00 51.62           O  
-ATOM    111  CB  ILE C  39       2.178  53.093  31.674  1.00 30.43           C  
-ATOM    112  CG1 ILE C  39       2.532  53.492  30.236  1.00 31.82           C  
-ATOM    113  CG2 ILE C  39       0.817  52.419  31.725  1.00 26.75           C  
-ATOM    114  CD1 ILE C  39       1.462  54.271  29.525  1.00 28.45           C  
-ATOM    115  N   PRO C  40       0.780  54.208  34.571  1.00 56.95           N  
-ATOM    116  CA  PRO C  40       0.320  53.886  35.928  1.00 57.25           C  
-ATOM    117  C   PRO C  40       0.085  52.388  36.126  1.00 55.81           C  
-ATOM    118  O   PRO C  40      -0.681  51.782  35.372  1.00 54.44           O  
-ATOM    119  CB  PRO C  40      -1.015  54.633  36.029  1.00 58.12           C  
-ATOM    120  CG  PRO C  40      -1.045  55.578  34.861  1.00 58.51           C  
-ATOM    121  CD  PRO C  40      -0.251  54.919  33.800  1.00 56.20           C  
-ATOM    122  N   LEU C  41       0.735  51.811  37.135  1.00 54.59           N  
-ATOM    123  CA  LEU C  41       0.625  50.382  37.442  1.00 54.88           C  
-ATOM    124  C   LEU C  41      -0.794  49.860  37.242  1.00 51.04           C  
-ATOM    125  O   LEU C  41      -1.714  50.274  37.942  1.00 55.46           O  
-ATOM    126  CB  LEU C  41       1.092  50.119  38.882  1.00 59.82           C  
-ATOM    127  CG  LEU C  41       1.148  48.710  39.504  1.00 63.24           C  
-ATOM    128  CD1 LEU C  41      -0.245  48.113  39.724  1.00 66.67           C  
-ATOM    129  CD2 LEU C  41       2.038  47.748  38.709  1.00 61.81           C  
-ATOM    130  N   GLY C  42      -0.968  48.955  36.283  1.00 45.14           N  
-ATOM    131  CA  GLY C  42      -2.266  48.353  36.027  1.00 41.77           C  
-ATOM    132  C   GLY C  42      -2.984  48.875  34.793  1.00 39.11           C  
-ATOM    133  O   GLY C  42      -4.046  48.379  34.422  1.00 35.34           O  
-ATOM    134  N   SER C  43      -2.407  49.881  34.150  1.00 41.80           N  
-ATOM    135  CA  SER C  43      -2.987  50.422  32.928  1.00 45.01           C  
-ATOM    136  C   SER C  43      -2.398  49.741  31.698  1.00 36.66           C  
-ATOM    137  O   SER C  43      -1.588  48.820  31.806  1.00 32.29           O  
-ATOM    138  CB  SER C  43      -2.768  51.934  32.845  1.00 50.36           C  
-ATOM    139  OG  SER C  43      -3.374  52.587  33.942  1.00 55.56           O  
-ATOM    140  N   HIS C  44      -2.802  50.216  30.529  1.00 37.24           N  
-ATOM    141  CA  HIS C  44      -2.394  49.604  29.274  1.00 40.16           C  
-ATOM    142  C   HIS C  44      -1.403  50.475  28.507  1.00 37.05           C  
-ATOM    143  O   HIS C  44      -1.526  51.709  28.472  1.00 34.90           O  
-ATOM    144  CB  HIS C  44      -3.618  49.381  28.392  1.00 48.33           C  
-ATOM    145  CG  HIS C  44      -4.088  50.629  27.716  1.00 54.18           C  
-ATOM    146  ND1 HIS C  44      -4.783  51.615  28.375  1.00 58.97           N  
-ATOM    147  CD2 HIS C  44      -3.928  51.068  26.441  1.00 55.76           C  
-ATOM    148  CE1 HIS C  44      -5.049  52.604  27.536  1.00 60.56           C  
-ATOM    149  NE2 HIS C  44      -4.540  52.292  26.357  1.00 57.89           N  
-ATOM    150  N   VAL C  45      -0.426  49.828  27.881  1.00 33.34           N  
-ATOM    151  CA  VAL C  45       0.460  50.515  26.946  1.00 30.93           C  
-ATOM    152  C   VAL C  45       0.473  49.775  25.599  1.00 26.44           C  
-ATOM    153  O   VAL C  45       0.307  48.555  25.564  1.00 26.28           O  
-ATOM    154  CB  VAL C  45       1.887  50.671  27.517  1.00 28.58           C  
-ATOM    155  CG1 VAL C  45       2.524  49.296  27.792  1.00 30.10           C  
-ATOM    156  CG2 VAL C  45       2.741  51.510  26.579  1.00 25.64           C  
-ATOM    157  N   THR C  46       0.632  50.516  24.503  1.00 25.44           N  
-ATOM    158  CA  THR C  46       0.752  49.929  23.161  1.00 24.03           C  
-ATOM    159  C   THR C  46       2.089  50.307  22.529  1.00 23.73           C  
-ATOM    160  O   THR C  46       2.365  51.483  22.308  1.00 27.19           O  
-ATOM    161  CB  THR C  46      -0.392  50.400  22.206  1.00 31.94           C  
-ATOM    162  OG1 THR C  46      -1.660  49.948  22.700  1.00 32.64           O  
-ATOM    163  CG2 THR C  46      -0.179  49.842  20.797  1.00 29.08           C  
-ATOM    164  N   PHE C  47       2.927  49.319  22.241  1.00 18.40           N  
-ATOM    165  CA  PHE C  47       4.176  49.607  21.549  1.00 17.98           C  
-ATOM    166  C   PHE C  47       3.936  49.572  20.046  1.00 16.46           C  
-ATOM    167  O   PHE C  47       3.318  48.654  19.549  1.00 16.28           O  
-ATOM    168  CB  PHE C  47       5.273  48.618  21.949  1.00 16.44           C  
-ATOM    169  CG  PHE C  47       5.662  48.705  23.393  1.00 18.07           C  
-ATOM    170  CD1 PHE C  47       6.601  49.632  23.819  1.00 19.45           C  
-ATOM    171  CD2 PHE C  47       5.080  47.861  24.335  1.00 23.36           C  
-ATOM    172  CE1 PHE C  47       6.958  49.713  25.164  1.00 23.08           C  
-ATOM    173  CE2 PHE C  47       5.431  47.931  25.678  1.00 21.21           C  
-ATOM    174  CZ  PHE C  47       6.367  48.858  26.097  1.00 20.84           C  
-ATOM    175  N   VAL C  48       4.417  50.580  19.331  1.00 14.72           N  
-ATOM    176  CA  VAL C  48       4.306  50.609  17.876  1.00 15.94           C  
-ATOM    177  C   VAL C  48       5.694  50.505  17.239  1.00 15.39           C  
-ATOM    178  O   VAL C  48       6.548  51.368  17.450  1.00 16.42           O  
-ATOM    179  CB  VAL C  48       3.582  51.882  17.404  1.00 15.41           C  
-ATOM    180  CG1 VAL C  48       3.312  51.841  15.899  1.00 13.14           C  
-ATOM    181  CG2 VAL C  48       2.286  52.054  18.190  1.00 15.73           C  
-ATOM    182  N  ACYS C  49       5.896  49.446  16.463  0.47 14.98           N  
-ATOM    183  N  BCYS C  49       5.941  49.426  16.497  0.53 14.96           N  
-ATOM    184  CA ACYS C  49       7.133  49.232  15.718  0.47 14.78           C  
-ATOM    185  CA BCYS C  49       7.192  49.305  15.736  0.53 14.75           C  
-ATOM    186  C  ACYS C  49       6.945  49.651  14.258  0.47 17.18           C  
-ATOM    187  C  BCYS C  49       6.963  49.656  14.274  0.53 17.31           C  
-ATOM    188  O  ACYS C  49       6.039  49.166  13.581  0.47 17.40           O  
-ATOM    189  O  BCYS C  49       6.058  49.132  13.618  0.53 17.53           O  
-ATOM    190  CB ACYS C  49       7.551  47.755  15.785  0.47 14.67           C  
-ATOM    191  CB BCYS C  49       7.824  47.910  15.837  0.53 14.86           C  
-ATOM    192  SG ACYS C  49       7.930  47.112  17.453  0.47 13.11           S  
-ATOM    193  SG BCYS C  49       9.501  47.778  15.095  0.53 14.30           S  
-ATOM    194  N   ARG C  50       7.798  50.548  13.769  1.00 16.19           N  
-ATOM    195  CA  ARG C  50       7.673  51.010  12.405  1.00 14.40           C  
-ATOM    196  C   ARG C  50       8.918  50.709  11.585  1.00 19.81           C  
-ATOM    197  O   ARG C  50      10.054  50.804  12.069  1.00 21.55           O  
-ATOM    198  CB  ARG C  50       7.352  52.501  12.381  1.00 15.54           C  
-ATOM    199  CG  ARG C  50       6.071  52.861  13.087  1.00 15.82           C  
-ATOM    200  CD  ARG C  50       5.818  54.350  12.988  1.00 16.82           C  
-ATOM    201  NE  ARG C  50       4.445  54.687  13.338  1.00 18.62           N  
-ATOM    202  CZ  ARG C  50       4.058  55.054  14.553  1.00 20.24           C  
-ATOM    203  NH1 ARG C  50       4.943  55.133  15.543  1.00 21.68           N  
-ATOM    204  NH2 ARG C  50       2.787  55.343  14.780  1.00 26.56           N  
-ATOM    205  N   GLY C  51       8.688  50.344  10.328  1.00 18.71           N  
-ATOM    206  CA  GLY C  51       9.764  50.051   9.411  1.00 16.18           C  
-ATOM    207  C   GLY C  51       9.363  50.339   7.978  1.00 15.06           C  
-ATOM    208  O   GLY C  51       8.400  51.058   7.715  1.00 12.12           O  
-ATOM    209  N   PRO C  52      10.103  49.777   7.033  1.00 18.36           N  
-ATOM    210  CA  PRO C  52       9.774  50.036   5.630  1.00 19.14           C  
-ATOM    211  C   PRO C  52       8.561  49.224   5.197  1.00 19.04           C  
-ATOM    212  O   PRO C  52       8.112  48.336   5.916  1.00 16.54           O  
-ATOM    213  CB  PRO C  52      11.020  49.548   4.872  1.00 18.86           C  
-ATOM    214  CG  PRO C  52      11.886  48.855   5.882  1.00 20.54           C  
-ATOM    215  CD  PRO C  52      11.162  48.774   7.187  1.00 18.94           C  
-ATOM    216  N   VAL C  53       8.036  49.518   4.014  1.00 20.52           N  
-ATOM    217  CA  VAL C  53       7.042  48.645   3.406  1.00 17.07           C  
-ATOM    218  C   VAL C  53       7.684  47.256   3.219  1.00 17.03           C  
-ATOM    219  O   VAL C  53       8.899  47.158   3.023  1.00 18.45           O  
-ATOM    220  CB  VAL C  53       6.490  49.278   2.084  1.00 17.98           C  
-ATOM    221  CG1 VAL C  53       7.524  49.282   1.001  1.00 21.04           C  
-ATOM    222  CG2 VAL C  53       5.271  48.527   1.614  1.00 19.62           C  
-ATOM    223  N   GLY C  54       6.901  46.188   3.353  1.00 19.06           N  
-ATOM    224  CA  GLY C  54       7.397  44.852   3.035  1.00 18.82           C  
-ATOM    225  C   GLY C  54       7.955  44.001   4.175  1.00 14.38           C  
-ATOM    226  O   GLY C  54       8.525  42.933   3.957  1.00 16.58           O  
-ATOM    227  N   VAL C  55       7.798  44.477   5.403  1.00 18.77           N  
-ATOM    228  CA  VAL C  55       8.231  43.725   6.574  1.00 16.08           C  
-ATOM    229  C   VAL C  55       7.367  42.470   6.721  1.00 12.96           C  
-ATOM    230  O   VAL C  55       6.150  42.535   6.580  1.00 17.78           O  
-ATOM    231  CB  VAL C  55       8.115  44.601   7.857  1.00  9.49           C  
-ATOM    232  CG1 VAL C  55       8.363  43.762   9.128  1.00  9.60           C  
-ATOM    233  CG2 VAL C  55       9.034  45.802   7.763  1.00  6.41           C  
-ATOM    234  N   GLN C  56       7.992  41.330   6.995  1.00 15.58           N  
-ATOM    235  CA  GLN C  56       7.248  40.110   7.268  1.00 19.36           C  
-ATOM    236  C   GLN C  56       6.867  40.000   8.746  1.00 17.41           C  
-ATOM    237  O   GLN C  56       5.708  39.748   9.090  1.00 15.48           O  
-ATOM    238  CB  GLN C  56       8.061  38.877   6.885  1.00 21.37           C  
-ATOM    239  CG  GLN C  56       7.391  37.587   7.355  1.00 31.30           C  
-ATOM    240  CD  GLN C  56       8.311  36.376   7.341  1.00 39.37           C  
-ATOM    241  OE1 GLN C  56       9.363  36.381   6.697  1.00 40.09           O  
-ATOM    242  NE2 GLN C  56       7.907  35.322   8.049  1.00 42.37           N  
-ATOM    243  N   THR C  57       7.862  40.173   9.609  1.00 20.37           N  
-ATOM    244  CA  THR C  57       7.700  39.995  11.047  1.00 16.22           C  
-ATOM    245  C   THR C  57       8.280  41.197  11.775  1.00 16.12           C  
-ATOM    246  O   THR C  57       9.398  41.622  11.471  1.00 14.36           O  
-ATOM    247  CB  THR C  57       8.447  38.733  11.547  1.00 14.44           C  
-ATOM    248  OG1 THR C  57       8.000  37.594  10.811  1.00 20.12           O  
-ATOM    249  CG2 THR C  57       8.200  38.499  13.035  1.00 17.24           C  
-ATOM    250  N   PHE C  58       7.509  41.742  12.717  1.00  8.91           N  
-ATOM    251  CA  PHE C  58       8.011  42.705  13.687  1.00 10.09           C  
-ATOM    252  C   PHE C  58       8.192  42.005  15.033  1.00 10.58           C  
-ATOM    253  O   PHE C  58       7.313  41.269  15.479  1.00 11.37           O  
-ATOM    254  CB  PHE C  58       7.051  43.884  13.875  1.00 11.83           C  
-ATOM    255  CG  PHE C  58       7.183  44.964  12.827  1.00 10.98           C  
-ATOM    256  CD1 PHE C  58       8.235  45.868  12.865  1.00 10.51           C  
-ATOM    257  CD2 PHE C  58       6.241  45.084  11.822  1.00 13.01           C  
-ATOM    258  CE1 PHE C  58       8.348  46.862  11.897  1.00 12.76           C  
-ATOM    259  CE2 PHE C  58       6.341  46.079  10.848  1.00 12.26           C  
-ATOM    260  CZ  PHE C  58       7.396  46.971  10.890  1.00 14.54           C  
-ATOM    261  N   ARG C  59       9.330  42.247  15.670  1.00 11.45           N  
-ATOM    262  CA  ARG C  59       9.629  41.667  16.965  1.00 12.07           C  
-ATOM    263  C   ARG C  59       9.832  42.775  18.017  1.00 10.68           C  
-ATOM    264  O   ARG C  59      10.661  43.681  17.834  1.00 11.56           O  
-ATOM    265  CB  ARG C  59      10.860  40.763  16.882  1.00 10.23           C  
-ATOM    266  CG  ARG C  59      11.361  40.294  18.262  1.00 12.70           C  
-ATOM    267  CD  ARG C  59      12.456  39.236  18.146  1.00 13.57           C  
-ATOM    268  NE  ARG C  59      11.991  38.044  17.451  1.00 14.81           N  
-ATOM    269  CZ  ARG C  59      12.779  37.057  17.040  1.00 16.20           C  
-ATOM    270  NH1 ARG C  59      14.084  37.123  17.233  1.00 18.81           N  
-ATOM    271  NH2 ARG C  59      12.262  36.011  16.416  1.00 18.19           N  
-ATOM    272  N   LEU C  60       9.047  42.730  19.088  1.00 11.40           N  
-ATOM    273  CA  LEU C  60       9.253  43.633  20.205  1.00 13.23           C  
-ATOM    274  C   LEU C  60      10.162  42.918  21.171  1.00 17.86           C  
-ATOM    275  O   LEU C  60       9.925  41.757  21.529  1.00 18.30           O  
-ATOM    276  CB  LEU C  60       7.944  43.987  20.902  1.00 16.26           C  
-ATOM    277  CG  LEU C  60       8.000  44.806  22.210  1.00 13.11           C  
-ATOM    278  CD1 LEU C  60       8.284  46.299  21.969  1.00  7.28           C  
-ATOM    279  CD2 LEU C  60       6.700  44.629  23.033  1.00 17.29           C  
-ATOM    280  N   GLU C  61      11.210  43.607  21.601  1.00 14.06           N  
-ATOM    281  CA  GLU C  61      12.176  42.993  22.493  1.00 14.76           C  
-ATOM    282  C   GLU C  61      12.066  43.606  23.888  1.00 15.76           C  
-ATOM    283  O   GLU C  61      12.264  44.810  24.076  1.00 12.29           O  
-ATOM    284  CB  GLU C  61      13.590  43.120  21.919  1.00 13.93           C  
-ATOM    285  CG  GLU C  61      13.748  42.466  20.551  1.00 14.27           C  
-ATOM    286  CD  GLU C  61      14.910  43.036  19.774  1.00 17.51           C  
-ATOM    287  OE1 GLU C  61      14.957  44.266  19.587  1.00 17.37           O  
-ATOM    288  OE2 GLU C  61      15.769  42.254  19.325  1.00 19.42           O  
-ATOM    289  N   ARG C  62      11.697  42.756  24.840  1.00 14.82           N  
-ATOM    290  CA  ARG C  62      11.666  43.086  26.268  1.00 16.48           C  
-ATOM    291  C   ARG C  62      13.052  42.835  26.854  1.00 21.69           C  
-ATOM    292  O   ARG C  62      13.381  41.719  27.264  1.00 23.39           O  
-ATOM    293  CB  ARG C  62      10.627  42.220  26.986  1.00 15.72           C  
-ATOM    294  CG  ARG C  62       9.329  42.089  26.215  1.00 16.30           C  
-ATOM    295  CD  ARG C  62       8.195  41.724  27.145  1.00 23.10           C  
-ATOM    296  NE  ARG C  62       6.911  41.717  26.459  1.00 27.47           N  
-ATOM    297  CZ  ARG C  62       5.743  41.621  27.081  1.00 26.81           C  
-ATOM    298  NH1 ARG C  62       4.612  41.627  26.381  1.00 31.35           N  
-ATOM    299  NH2 ARG C  62       5.709  41.527  28.401  1.00 20.93           N  
-ATOM    300  N   GLU C  63      13.860  43.886  26.901  1.00 19.72           N  
-ATOM    301  CA  GLU C  63      15.302  43.734  27.086  1.00 25.39           C  
-ATOM    302  C   GLU C  63      15.769  43.410  28.511  1.00 32.59           C  
-ATOM    303  O   GLU C  63      16.848  42.848  28.692  1.00 36.75           O  
-ATOM    304  CB  GLU C  63      16.034  44.963  26.544  1.00 29.37           C  
-ATOM    305  CG  GLU C  63      15.814  45.219  25.054  1.00 35.88           C  
-ATOM    306  CD  GLU C  63      16.539  44.222  24.170  1.00 43.19           C  
-ATOM    307  OE1 GLU C  63      16.970  44.615  23.067  1.00 45.78           O  
-ATOM    308  OE2 GLU C  63      16.679  43.047  24.572  1.00 45.95           O  
-ATOM    309  N   SER C  64      14.977  43.752  29.523  1.00 32.89           N  
-ATOM    310  CA  SER C  64      15.427  43.498  30.885  1.00 35.27           C  
-ATOM    311  C   SER C  64      15.479  41.995  31.130  1.00 42.52           C  
-ATOM    312  O   SER C  64      16.461  41.476  31.658  1.00 44.65           O  
-ATOM    313  CB  SER C  64      14.549  44.210  31.920  1.00 34.09           C  
-ATOM    314  OG  SER C  64      13.197  43.803  31.822  1.00 38.14           O  
-ATOM    315  N   ARG C  65      14.429  41.294  30.713  1.00 47.18           N  
-ATOM    316  CA  ARG C  65      14.334  39.857  30.948  1.00 50.99           C  
-ATOM    317  C   ARG C  65      14.519  39.038  29.674  1.00 39.96           C  
-ATOM    318  O   ARG C  65      14.250  37.836  29.650  1.00 36.88           O  
-ATOM    319  CB  ARG C  65      13.011  39.509  31.645  1.00 61.70           C  
-ATOM    320  CG  ARG C  65      12.920  40.077  33.055  1.00 66.54           C  
-ATOM    321  CD  ARG C  65      11.661  39.654  33.777  1.00 71.56           C  
-ATOM    322  NE  ARG C  65      11.711  40.076  35.171  1.00 78.30           N  
-ATOM    323  CZ  ARG C  65      11.520  41.327  35.584  1.00 86.18           C  
-ATOM    324  NH1 ARG C  65      11.264  42.295  34.711  1.00 86.85           N  
-ATOM    325  NH2 ARG C  65      11.586  41.613  36.878  1.00 91.61           N  
-ATOM    326  N   SER C  66      14.999  39.697  28.626  1.00 34.45           N  
-ATOM    327  CA  SER C  66      15.256  39.056  27.333  1.00 38.14           C  
-ATOM    328  C   SER C  66      14.179  38.066  26.865  1.00 32.58           C  
-ATOM    329  O   SER C  66      14.463  36.894  26.624  1.00 30.70           O  
-ATOM    330  CB  SER C  66      16.638  38.390  27.317  1.00 44.72           C  
-ATOM    331  OG  SER C  66      17.640  39.303  26.895  1.00 48.62           O  
-ATOM    332  N   THR C  67      12.943  38.542  26.748  1.00 21.22           N  
-ATOM    333  CA  THR C  67      11.885  37.771  26.109  1.00 16.67           C  
-ATOM    334  C   THR C  67      11.391  38.640  24.960  1.00 15.17           C  
-ATOM    335  O   THR C  67      11.885  39.756  24.778  1.00 14.71           O  
-ATOM    336  CB  THR C  67      10.741  37.441  27.082  1.00 14.78           C  
-ATOM    337  OG1 THR C  67      10.226  38.652  27.661  1.00 16.27           O  
-ATOM    338  CG2 THR C  67      11.227  36.488  28.185  1.00 17.48           C  
-ATOM    339  N   TYR C  68      10.450  38.148  24.169  1.00 11.65           N  
-ATOM    340  CA  TYR C  68       9.988  38.945  23.034  1.00 12.19           C  
-ATOM    341  C   TYR C  68       8.597  38.568  22.591  1.00 13.49           C  
-ATOM    342  O   TYR C  68       8.004  37.609  23.099  1.00 12.18           O  
-ATOM    343  CB  TYR C  68      10.958  38.842  21.839  1.00 11.98           C  
-ATOM    344  CG  TYR C  68      11.080  37.457  21.240  1.00 14.55           C  
-ATOM    345  CD1 TYR C  68      10.387  37.107  20.081  1.00 16.51           C  
-ATOM    346  CD2 TYR C  68      11.895  36.497  21.835  1.00 12.43           C  
-ATOM    347  CE1 TYR C  68      10.504  35.829  19.530  1.00 15.83           C  
-ATOM    348  CE2 TYR C  68      12.017  35.229  21.299  1.00 15.78           C  
-ATOM    349  CZ  TYR C  68      11.327  34.902  20.148  1.00 17.04           C  
-ATOM    350  OH  TYR C  68      11.477  33.636  19.637  1.00 17.57           O  
-ATOM    351  N   ASN C  69       8.090  39.356  21.648  1.00 11.14           N  
-ATOM    352  CA  ASN C  69       6.820  39.108  20.977  1.00 16.68           C  
-ATOM    353  C   ASN C  69       7.005  39.257  19.465  1.00 16.47           C  
-ATOM    354  O   ASN C  69       7.533  40.267  18.995  1.00 15.56           O  
-ATOM    355  CB  ASN C  69       5.732  40.074  21.493  1.00 16.83           C  
-ATOM    356  CG  ASN C  69       5.369  39.839  22.972  1.00 19.01           C  
-ATOM    357  OD1 ASN C  69       5.856  40.540  23.850  1.00 19.84           O  
-ATOM    358  ND2 ASN C  69       4.500  38.862  23.235  1.00 15.98           N  
-ATOM    359  N   ASP C  70       6.603  38.243  18.706  1.00 13.38           N  
-ATOM    360  CA  ASP C  70       6.620  38.331  17.245  1.00 12.33           C  
-ATOM    361  C   ASP C  70       5.203  38.514  16.726  1.00 12.42           C  
-ATOM    362  O   ASP C  70       4.251  37.959  17.282  1.00 14.21           O  
-ATOM    363  CB  ASP C  70       7.187  37.055  16.605  1.00 16.24           C  
-ATOM    364  CG  ASP C  70       8.702  36.988  16.643  1.00 17.98           C  
-ATOM    365  OD1 ASP C  70       9.346  37.978  17.029  1.00 17.63           O  
-ATOM    366  OD2 ASP C  70       9.251  35.938  16.275  1.00 16.81           O  
-ATOM    367  N   THR C  71       5.064  39.272  15.645  1.00  9.82           N  
-ATOM    368  CA  THR C  71       3.785  39.345  14.940  1.00 10.82           C  
-ATOM    369  C   THR C  71       3.988  39.517  13.437  1.00 13.27           C  
-ATOM    370  O   THR C  71       4.859  40.271  13.005  1.00 16.21           O  
-ATOM    371  CB  THR C  71       2.864  40.451  15.521  1.00 16.80           C  
-ATOM    372  OG1 THR C  71       1.550  40.338  14.955  1.00 20.07           O  
-ATOM    373  CG2 THR C  71       3.431  41.837  15.243  1.00 14.19           C  
-ATOM    374  N   GLU C  72       3.212  38.775  12.653  1.00 12.97           N  
-ATOM    375  CA  GLU C  72       3.189  38.931  11.200  1.00 17.42           C  
-ATOM    376  C   GLU C  72       2.005  39.810  10.778  1.00 13.59           C  
-ATOM    377  O   GLU C  72       1.756  40.004   9.588  1.00 14.13           O  
-ATOM    378  CB  GLU C  72       3.131  37.566  10.480  1.00 19.36           C  
-ATOM    379  CG  GLU C  72       4.433  36.780  10.515  1.00 23.60           C  
-ATOM    380  CD  GLU C  72       4.795  36.385  11.918  1.00 32.39           C  
-ATOM    381  OE1 GLU C  72       3.876  35.925  12.640  1.00 30.89           O  
-ATOM    382  OE2 GLU C  72       5.983  36.539  12.311  1.00 35.58           O  
-ATOM    383  N   ASP C  73       1.271  40.321  11.763  1.00 13.42           N  
-ATOM    384  CA  ASP C  73       0.149  41.201  11.483  1.00 17.93           C  
-ATOM    385  C   ASP C  73       0.655  42.607  11.168  1.00 18.94           C  
-ATOM    386  O   ASP C  73       0.634  43.489  12.016  1.00 18.81           O  
-ATOM    387  CB  ASP C  73      -0.832  41.246  12.650  1.00 18.28           C  
-ATOM    388  CG  ASP C  73      -2.086  42.043  12.307  1.00 20.66           C  
-ATOM    389  OD1 ASP C  73      -2.428  42.097  11.098  1.00 18.30           O  
-ATOM    390  OD2 ASP C  73      -2.702  42.628  13.224  1.00 21.81           O  
-ATOM    391  N   VAL C  74       1.114  42.791   9.938  1.00 16.09           N  
-ATOM    392  CA  VAL C  74       1.721  44.036   9.494  1.00 16.30           C  
-ATOM    393  C   VAL C  74       0.746  44.798   8.580  1.00 16.41           C  
-ATOM    394  O   VAL C  74       0.047  44.196   7.761  1.00 14.99           O  
-ATOM    395  CB  VAL C  74       3.055  43.748   8.746  1.00 18.06           C  
-ATOM    396  CG1 VAL C  74       3.679  45.022   8.200  1.00 16.28           C  
-ATOM    397  CG2 VAL C  74       4.037  42.986   9.650  1.00 13.53           C  
-ATOM    398  N   SER C  75       0.681  46.117   8.743  1.00 18.08           N  
-ATOM    399  CA  SER C  75      -0.072  46.972   7.813  1.00 18.24           C  
-ATOM    400  C   SER C  75       0.644  48.307   7.565  1.00 17.42           C  
-ATOM    401  O   SER C  75       1.589  48.660   8.272  1.00 16.96           O  
-ATOM    402  CB  SER C  75      -1.513  47.194   8.287  1.00 16.47           C  
-ATOM    403  OG  SER C  75      -1.540  47.743   9.585  1.00 16.23           O  
-ATOM    404  N   GLN C  76       0.194  49.036   6.552  1.00 17.52           N  
-ATOM    405  CA  GLN C  76       0.824  50.293   6.173  1.00 13.78           C  
-ATOM    406  C   GLN C  76       0.008  51.488   6.597  1.00 14.94           C  
-ATOM    407  O   GLN C  76      -1.217  51.486   6.497  1.00 17.34           O  
-ATOM    408  CB  GLN C  76       0.988  50.351   4.655  1.00 16.32           C  
-ATOM    409  CG  GLN C  76       1.737  49.188   4.065  1.00 16.80           C  
-ATOM    410  CD  GLN C  76       2.118  49.432   2.623  1.00 23.00           C  
-ATOM    411  OE1 GLN C  76       1.742  48.673   1.734  1.00 27.31           O  
-ATOM    412  NE2 GLN C  76       2.862  50.502   2.384  1.00 28.00           N  
-ATOM    413  N   ALA C  77       0.702  52.523   7.054  1.00 21.66           N  
-ATOM    414  CA  ALA C  77       0.080  53.824   7.310  1.00 26.91           C  
-ATOM    415  C   ALA C  77       0.344  54.756   6.137  1.00 25.02           C  
-ATOM    416  O   ALA C  77      -0.286  55.804   6.019  1.00 25.83           O  
-ATOM    417  CB  ALA C  77       0.623  54.436   8.599  1.00 27.32           C  
-ATOM    418  N   SER C  78       1.297  54.368   5.288  1.00 25.51           N  
-ATOM    419  CA  SER C  78       1.662  55.129   4.092  1.00 31.36           C  
-ATOM    420  C   SER C  78       2.440  54.217   3.133  1.00 33.79           C  
-ATOM    421  O   SER C  78       2.785  53.090   3.509  1.00 29.99           O  
-ATOM    422  CB  SER C  78       2.478  56.385   4.456  1.00 28.27           C  
-ATOM    423  OG  SER C  78       3.802  56.054   4.817  1.00 28.70           O  
-ATOM    424  N   PRO C  79       2.713  54.694   1.897  1.00 34.53           N  
-ATOM    425  CA  PRO C  79       3.318  53.849   0.853  1.00 36.45           C  
-ATOM    426  C   PRO C  79       4.770  53.433   1.146  1.00 34.87           C  
-ATOM    427  O   PRO C  79       5.257  52.439   0.582  1.00 34.31           O  
-ATOM    428  CB  PRO C  79       3.253  54.740  -0.405  1.00 36.46           C  
-ATOM    429  CG  PRO C  79       2.212  55.774  -0.102  1.00 35.56           C  
-ATOM    430  CD  PRO C  79       2.368  56.029   1.373  1.00 34.94           C  
-ATOM    431  N   SER C  80       5.441  54.180   2.021  1.00 28.40           N  
-ATOM    432  CA  SER C  80       6.823  53.878   2.389  1.00 27.22           C  
-ATOM    433  C   SER C  80       6.960  53.526   3.872  1.00 24.76           C  
-ATOM    434  O   SER C  80       7.985  53.818   4.489  1.00 27.90           O  
-ATOM    435  CB  SER C  80       7.719  55.076   2.075  1.00 27.49           C  
-ATOM    436  OG  SER C  80       7.256  56.217   2.776  1.00 29.93           O  
-ATOM    437  N   GLU C  81       5.927  52.915   4.443  1.00 20.73           N  
-ATOM    438  CA  GLU C  81       5.967  52.519   5.847  1.00 15.57           C  
-ATOM    439  C   GLU C  81       5.082  51.312   6.087  1.00 18.61           C  
-ATOM    440  O   GLU C  81       4.013  51.198   5.497  1.00 19.24           O  
-ATOM    441  CB  GLU C  81       5.521  53.673   6.750  1.00 17.59           C  
-ATOM    442  CG  GLU C  81       5.678  53.413   8.260  1.00 18.66           C  
-ATOM    443  CD  GLU C  81       4.388  52.972   8.953  1.00 19.36           C  
-ATOM    444  OE1 GLU C  81       3.508  52.380   8.296  1.00 23.21           O  
-ATOM    445  OE2 GLU C  81       4.252  53.215  10.169  1.00 19.80           O  
-ATOM    446  N   SER C  82       5.540  50.403   6.940  1.00 16.48           N  
-ATOM    447  CA  SER C  82       4.671  49.381   7.505  1.00 13.60           C  
-ATOM    448  C   SER C  82       4.925  49.328   9.009  1.00 15.75           C  
-ATOM    449  O   SER C  82       5.936  49.841   9.503  1.00 12.47           O  
-ATOM    450  CB  SER C  82       4.858  48.014   6.829  1.00 15.62           C  
-ATOM    451  OG  SER C  82       5.977  47.297   7.322  1.00 14.00           O  
-ATOM    452  N   GLU C  83       3.984  48.745   9.741  1.00 22.55           N  
-ATOM    453  CA  GLU C  83       4.034  48.768  11.200  1.00 21.62           C  
-ATOM    454  C   GLU C  83       3.278  47.595  11.830  1.00 17.57           C  
-ATOM    455  O   GLU C  83       2.459  46.928  11.179  1.00 16.12           O  
-ATOM    456  CB  GLU C  83       3.462  50.088  11.729  1.00 20.60           C  
-ATOM    457  CG  GLU C  83       1.992  50.296  11.365  1.00 20.60           C  
-ATOM    458  CD  GLU C  83       1.445  51.618  11.859  1.00 20.85           C  
-ATOM    459  OE1 GLU C  83       2.022  52.662  11.507  1.00 23.20           O  
-ATOM    460  OE2 GLU C  83       0.431  51.611  12.583  1.00 22.13           O  
-ATOM    461  N   ALA C  84       3.583  47.349  13.100  1.00 17.00           N  
-ATOM    462  CA  ALA C  84       2.814  46.425  13.916  1.00 14.32           C  
-ATOM    463  C   ALA C  84       2.726  47.018  15.328  1.00 15.80           C  
-ATOM    464  O   ALA C  84       3.570  47.838  15.735  1.00 14.12           O  
-ATOM    465  CB  ALA C  84       3.458  45.050  13.940  1.00  8.44           C  
-ATOM    466  N   ARG C  85       1.698  46.601  16.059  1.00 15.94           N  
-ATOM    467  CA AARG C  85       1.465  47.103  17.408  0.45 19.61           C  
-ATOM    468  CA BARG C  85       1.450  47.084  17.404  0.55 19.87           C  
-ATOM    469  C   ARG C  85       1.450  45.955  18.413  1.00 16.14           C  
-ATOM    470  O   ARG C  85       1.048  44.831  18.094  1.00 16.99           O  
-ATOM    471  CB AARG C  85       0.152  47.886  17.465  0.45 20.53           C  
-ATOM    472  CB BARG C  85       0.127  47.853  17.454  0.55 20.50           C  
-ATOM    473  CG AARG C  85       0.137  49.099  16.546  0.45 21.80           C  
-ATOM    474  CG BARG C  85       0.198  49.128  16.664  0.55 21.80           C  
-ATOM    475  CD AARG C  85      -1.290  49.534  16.253  0.45 22.84           C  
-ATOM    476  CD BARG C  85      -1.162  49.708  16.365  0.55 22.88           C  
-ATOM    477  NE AARG C  85      -1.990  49.999  17.453  0.45 23.39           N  
-ATOM    478  NE BARG C  85      -1.005  50.828  15.445  0.55 21.84           N  
-ATOM    479  CZ AARG C  85      -1.948  51.252  17.907  0.45 21.39           C  
-ATOM    480  CZ BARG C  85      -0.773  52.073  15.829  0.55 19.76           C  
-ATOM    481  NH1AARG C  85      -2.616  51.581  19.004  0.45 20.15           N  
-ATOM    482  NH1BARG C  85      -0.625  53.023  14.924  0.55 20.18           N  
-ATOM    483  NH2AARG C  85      -1.234  52.180  17.274  0.45 20.47           N  
-ATOM    484  NH2BARG C  85      -0.700  52.365  17.123  0.55 21.04           N  
-ATOM    485  N   PHE C  86       1.899  46.262  19.626  1.00 15.73           N  
-ATOM    486  CA  PHE C  86       1.986  45.291  20.705  1.00 13.93           C  
-ATOM    487  C   PHE C  86       1.359  45.909  21.946  1.00 21.50           C  
-ATOM    488  O   PHE C  86       1.829  46.942  22.444  1.00 20.40           O  
-ATOM    489  CB  PHE C  86       3.440  44.958  20.989  1.00 11.94           C  
-ATOM    490  CG  PHE C  86       4.165  44.374  19.820  1.00 13.70           C  
-ATOM    491  CD1 PHE C  86       4.165  42.991  19.598  1.00 16.18           C  
-ATOM    492  CD2 PHE C  86       4.842  45.197  18.930  1.00 16.57           C  
-ATOM    493  CE1 PHE C  86       4.842  42.450  18.511  1.00 18.90           C  
-ATOM    494  CE2 PHE C  86       5.527  44.657  17.840  1.00 15.10           C  
-ATOM    495  CZ  PHE C  86       5.529  43.289  17.634  1.00 15.75           C  
-ATOM    496  N   ARG C  87       0.300  45.274  22.442  1.00 25.71           N  
-ATOM    497  CA  ARG C  87      -0.477  45.827  23.548  1.00 23.64           C  
-ATOM    498  C   ARG C  87      -0.208  45.109  24.861  1.00 20.39           C  
-ATOM    499  O   ARG C  87      -0.142  43.884  24.919  1.00 25.76           O  
-ATOM    500  CB  ARG C  87      -1.975  45.793  23.226  1.00 25.85           C  
-ATOM    501  CG  ARG C  87      -2.815  46.677  24.139  1.00 30.88           C  
-ATOM    502  CD  ARG C  87      -4.307  46.377  24.027  1.00 36.94           C  
-ATOM    503  NE  ARG C  87      -5.048  46.984  25.133  1.00 42.13           N  
-ATOM    504  CZ  ARG C  87      -5.630  48.179  25.082  1.00 44.95           C  
-ATOM    505  NH1 ARG C  87      -5.584  48.903  23.968  1.00 44.20           N  
-ATOM    506  NH2 ARG C  87      -6.269  48.648  26.146  1.00 48.04           N  
-ATOM    507  N   ILE C  88      -0.019  45.889  25.909  1.00 23.15           N  
-ATOM    508  CA  ILE C  88       0.055  45.351  27.255  1.00 24.33           C  
-ATOM    509  C   ILE C  88      -1.213  45.805  27.986  1.00 24.84           C  
-ATOM    510  O   ILE C  88      -1.371  46.983  28.304  1.00 24.31           O  
-ATOM    511  CB  ILE C  88       1.350  45.799  27.997  1.00 30.77           C  
-ATOM    512  CG1 ILE C  88       2.593  45.476  27.160  1.00 27.85           C  
-ATOM    513  CG2 ILE C  88       1.464  45.121  29.347  1.00 30.00           C  
-ATOM    514  CD1 ILE C  88       3.861  45.350  27.972  1.00 23.68           C  
-ATOM    515  N   ASP C  89      -2.132  44.866  28.208  1.00 28.74           N  
-ATOM    516  CA  ASP C  89      -3.413  45.170  28.850  1.00 33.25           C  
-ATOM    517  C   ASP C  89      -3.266  45.789  30.235  1.00 30.49           C  
-ATOM    518  O   ASP C  89      -3.681  46.918  30.461  1.00 27.46           O  
-ATOM    519  CB  ASP C  89      -4.284  43.918  28.936  1.00 42.00           C  
-ATOM    520  CG  ASP C  89      -5.190  43.765  27.740  1.00 54.22           C  
-ATOM    521  OD1 ASP C  89      -5.295  44.728  26.950  1.00 59.71           O  
-ATOM    522  OD2 ASP C  89      -5.800  42.687  27.593  1.00 58.76           O  
-ATOM    523  N   SER C  90      -2.686  45.035  31.163  1.00 30.95           N  
-ATOM    524  CA  SER C  90      -2.432  45.542  32.509  1.00 34.28           C  
-ATOM    525  C   SER C  90      -0.937  45.541  32.832  1.00 34.52           C  
-ATOM    526  O   SER C  90      -0.321  44.483  32.976  1.00 36.37           O  
-ATOM    527  CB  SER C  90      -3.207  44.725  33.558  1.00 35.37           C  
-ATOM    528  OG  SER C  90      -2.826  45.073  34.887  1.00 31.70           O  
-ATOM    529  N   VAL C  91      -0.352  46.730  32.946  1.00 33.17           N  
-ATOM    530  CA  VAL C  91       1.072  46.835  33.237  1.00 32.40           C  
-ATOM    531  C   VAL C  91       1.393  46.414  34.677  1.00 36.72           C  
-ATOM    532  O   VAL C  91       0.744  46.859  35.626  1.00 37.17           O  
-ATOM    533  CB  VAL C  91       1.620  48.258  32.954  1.00 34.16           C  
-ATOM    534  CG1 VAL C  91       1.620  48.549  31.444  1.00 34.84           C  
-ATOM    535  CG2 VAL C  91       0.820  49.297  33.711  1.00 35.15           C  
-ATOM    536  N   SER C  92       2.381  45.531  34.820  1.00 37.90           N  
-ATOM    537  CA  SER C  92       2.926  45.165  36.123  1.00 41.11           C  
-ATOM    538  C   SER C  92       4.300  45.812  36.265  1.00 45.96           C  
-ATOM    539  O   SER C  92       4.829  46.379  35.297  1.00 42.37           O  
-ATOM    540  CB  SER C  92       3.040  43.646  36.264  1.00 42.71           C  
-ATOM    541  OG  SER C  92       4.092  43.122  35.463  1.00 44.26           O  
-ATOM    542  N   GLU C  93       4.874  45.734  37.466  1.00 48.73           N  
-ATOM    543  CA  GLU C  93       6.183  46.331  37.724  1.00 46.56           C  
-ATOM    544  C   GLU C  93       7.277  45.612  36.946  1.00 35.41           C  
-ATOM    545  O   GLU C  93       8.301  46.202  36.614  1.00 32.43           O  
-ATOM    546  CB  GLU C  93       6.507  46.331  39.221  1.00 55.61           C  
-ATOM    547  CG  GLU C  93       7.681  47.241  39.605  1.00 64.76           C  
-ATOM    548  CD  GLU C  93       7.496  48.681  39.132  1.00 68.39           C  
-ATOM    549  OE1 GLU C  93       6.341  49.078  38.865  1.00 70.07           O  
-ATOM    550  OE2 GLU C  93       8.504  49.416  39.026  1.00 66.64           O  
-ATOM    551  N   GLY C  94       7.050  44.332  36.661  1.00 36.84           N  
-ATOM    552  CA  GLY C  94       7.954  43.556  35.828  1.00 36.40           C  
-ATOM    553  C   GLY C  94       7.956  44.040  34.388  1.00 30.33           C  
-ATOM    554  O   GLY C  94       8.824  43.666  33.602  1.00 30.62           O  
-ATOM    555  N   ASN C  95       6.976  44.873  34.043  1.00 28.60           N  
-ATOM    556  CA  ASN C  95       6.894  45.462  32.706  1.00 27.80           C  
-ATOM    557  C   ASN C  95       7.852  46.639  32.491  1.00 27.41           C  
-ATOM    558  O   ASN C  95       8.360  46.838  31.391  1.00 25.58           O  
-ATOM    559  CB  ASN C  95       5.461  45.878  32.382  1.00 24.74           C  
-ATOM    560  CG  ASN C  95       4.600  44.706  31.950  1.00 26.05           C  
-ATOM    561  OD1 ASN C  95       3.386  44.715  32.140  1.00 26.93           O  
-ATOM    562  ND2 ASN C  95       5.227  43.690  31.365  1.00 21.92           N  
-ATOM    563  N   ALA C  96       8.100  47.415  33.542  1.00 24.20           N  
-ATOM    564  CA  ALA C  96       8.965  48.573  33.412  1.00 21.57           C  
-ATOM    565  C   ALA C  96      10.353  48.124  32.965  1.00 24.04           C  
-ATOM    566  O   ALA C  96      10.851  47.077  33.389  1.00 28.84           O  
-ATOM    567  CB  ALA C  96       9.042  49.332  34.722  1.00 24.04           C  
-ATOM    568  N   GLY C  97      10.977  48.922  32.106  1.00 24.10           N  
-ATOM    569  CA  GLY C  97      12.321  48.638  31.638  1.00 20.79           C  
-ATOM    570  C   GLY C  97      12.500  49.015  30.184  1.00 17.87           C  
-ATOM    571  O   GLY C  97      11.608  49.621  29.594  1.00 16.85           O  
-ATOM    572  N   PRO C  98      13.654  48.643  29.608  1.00 19.50           N  
-ATOM    573  CA  PRO C  98      14.095  48.876  28.225  1.00 19.67           C  
-ATOM    574  C   PRO C  98      13.366  47.999  27.203  1.00 17.49           C  
-ATOM    575  O   PRO C  98      13.241  46.791  27.410  1.00 12.01           O  
-ATOM    576  CB  PRO C  98      15.573  48.461  28.251  1.00 21.77           C  
-ATOM    577  CG  PRO C  98      15.908  48.216  29.688  1.00 24.60           C  
-ATOM    578  CD  PRO C  98      14.638  47.848  30.350  1.00 19.21           C  
-ATOM    579  N   TYR C  99      12.913  48.616  26.115  1.00 14.38           N  
-ATOM    580  CA  TYR C  99      12.262  47.920  25.028  1.00  9.80           C  
-ATOM    581  C   TYR C  99      12.865  48.377  23.728  1.00 15.88           C  
-ATOM    582  O   TYR C  99      13.204  49.554  23.590  1.00 17.66           O  
-ATOM    583  CB  TYR C  99      10.778  48.271  24.973  1.00 15.41           C  
-ATOM    584  CG  TYR C  99       9.948  47.654  26.058  1.00 14.79           C  
-ATOM    585  CD1 TYR C  99       9.942  48.194  27.329  1.00 18.39           C  
-ATOM    586  CD2 TYR C  99       9.140  46.535  25.804  1.00 18.48           C  
-ATOM    587  CE1 TYR C  99       9.172  47.641  28.330  1.00 17.12           C  
-ATOM    588  CE2 TYR C  99       8.358  45.973  26.809  1.00 17.73           C  
-ATOM    589  CZ  TYR C  99       8.384  46.538  28.069  1.00 16.64           C  
-ATOM    590  OH  TYR C  99       7.634  46.010  29.096  1.00 20.58           O  
-ATOM    591  N   ARG C 100      12.982  47.452  22.778  1.00 14.93           N  
-ATOM    592  CA  ARG C 100      13.373  47.771  21.400  1.00 18.15           C  
-ATOM    593  C   ARG C 100      12.498  47.014  20.397  1.00 15.26           C  
-ATOM    594  O   ARG C 100      11.722  46.133  20.778  1.00 15.07           O  
-ATOM    595  CB  ARG C 100      14.842  47.395  21.136  1.00 17.01           C  
-ATOM    596  CG  ARG C 100      15.856  48.313  21.755  1.00 18.80           C  
-ATOM    597  CD  ARG C 100      17.258  48.002  21.244  1.00 22.31           C  
-ATOM    598  NE  ARG C 100      17.706  46.644  21.553  1.00 20.12           N  
-ATOM    599  CZ  ARG C 100      18.977  46.255  21.471  1.00 19.37           C  
-ATOM    600  NH1 ARG C 100      19.907  47.121  21.098  1.00 19.46           N  
-ATOM    601  NH2 ARG C 100      19.323  45.011  21.758  1.00 18.99           N  
-ATOM    602  N  ACYS C 101      12.659  47.382  19.117  0.65 12.05           N  
-ATOM    603  N  BCYS C 101      12.613  47.341  19.124  0.35 12.45           N  
-ATOM    604  CA ACYS C 101      12.006  46.764  17.952  0.65 12.22           C  
-ATOM    605  CA BCYS C 101      12.037  46.454  18.135  0.35 11.26           C  
-ATOM    606  C  ACYS C 101      13.073  46.251  16.972  0.65 13.64           C  
-ATOM    607  C  BCYS C 101      13.011  46.240  16.988  0.35 12.81           C  
-ATOM    608  O  ACYS C 101      14.149  46.856  16.839  0.65 13.02           O  
-ATOM    609  O  BCYS C 101      13.963  47.012  16.775  0.35 13.59           O  
-ATOM    610  CB ACYS C 101      11.132  47.792  17.194  0.65  5.27           C  
-ATOM    611  CB BCYS C 101      10.662  46.945  17.666  0.35  7.49           C  
-ATOM    612  SG ACYS C 101       9.576  48.190  17.950  0.65 25.32           S  
-ATOM    613  SG BCYS C 101      10.705  48.404  16.622  0.35  8.66           S  
-ATOM    614  N   ILE C 102      12.767  45.158  16.271  1.00 11.37           N  
-ATOM    615  CA  ILE C 102      13.598  44.724  15.167  1.00 12.14           C  
-ATOM    616  C   ILE C 102      12.585  44.095  14.216  1.00 13.87           C  
-ATOM    617  O   ILE C 102      11.532  43.632  14.647  1.00 16.69           O  
-ATOM    618  CB  ILE C 102      14.722  43.747  15.660  1.00 18.03           C  
-ATOM    619  CG1 ILE C 102      15.635  43.304  14.511  1.00 19.00           C  
-ATOM    620  CG2 ILE C 102      14.133  42.558  16.432  1.00 18.16           C  
-ATOM    621  CD1 ILE C 102      16.947  42.688  14.987  1.00 21.90           C  
-ATOM    622  N   TYR C 103      12.848  44.128  12.921  1.00 11.22           N  
-ATOM    623  CA  TYR C 103      11.913  43.504  11.999  1.00 11.93           C  
-ATOM    624  C   TYR C 103      12.641  42.547  11.077  1.00 18.13           C  
-ATOM    625  O   TYR C 103      13.865  42.639  10.900  1.00 15.04           O  
-ATOM    626  CB  TYR C 103      11.117  44.541  11.197  1.00 12.79           C  
-ATOM    627  CG  TYR C 103      11.941  45.407  10.254  1.00 14.11           C  
-ATOM    628  CD1 TYR C 103      12.338  46.685  10.637  1.00 13.70           C  
-ATOM    629  CD2 TYR C 103      12.307  44.950   8.978  1.00 13.39           C  
-ATOM    630  CE1 TYR C 103      13.088  47.498   9.781  1.00 15.42           C  
-ATOM    631  CE2 TYR C 103      13.054  45.751   8.115  1.00 13.54           C  
-ATOM    632  CZ  TYR C 103      13.442  47.029   8.527  1.00 14.64           C  
-ATOM    633  OH  TYR C 103      14.177  47.858   7.696  1.00 15.85           O  
-ATOM    634  N   TYR C 104      11.879  41.618  10.510  1.00 16.78           N  
-ATOM    635  CA  TYR C 104      12.395  40.729   9.501  1.00 15.33           C  
-ATOM    636  C   TYR C 104      11.769  41.078   8.160  1.00 18.18           C  
-ATOM    637  O   TYR C 104      10.546  40.990   7.988  1.00 17.51           O  
-ATOM    638  CB  TYR C 104      12.111  39.271   9.864  1.00 20.56           C  
-ATOM    639  CG  TYR C 104      12.752  38.334   8.879  1.00 19.38           C  
-ATOM    640  CD1 TYR C 104      14.133  38.215   8.825  1.00 19.33           C  
-ATOM    641  CD2 TYR C 104      11.991  37.617   7.979  1.00 20.85           C  
-ATOM    642  CE1 TYR C 104      14.740  37.397   7.918  1.00 21.83           C  
-ATOM    643  CE2 TYR C 104      12.590  36.780   7.063  1.00 26.65           C  
-ATOM    644  CZ  TYR C 104      13.972  36.679   7.037  1.00 28.69           C  
-ATOM    645  OH  TYR C 104      14.610  35.859   6.132  1.00 37.80           O  
-ATOM    646  N   LYS C 105      12.612  41.509   7.224  1.00 19.11           N  
-ATOM    647  CA  LYS C 105      12.196  41.724   5.848  1.00 21.30           C  
-ATOM    648  C   LYS C 105      13.136  40.905   4.966  1.00 30.39           C  
-ATOM    649  O   LYS C 105      14.287  41.295   4.751  1.00 32.15           O  
-ATOM    650  CB  LYS C 105      12.264  43.209   5.494  1.00 13.64           C  
-ATOM    651  CG  LYS C 105      11.935  43.508   4.047  1.00 15.62           C  
-ATOM    652  CD  LYS C 105      11.804  44.999   3.793  1.00 20.02           C  
-ATOM    653  CE  LYS C 105      11.364  45.272   2.363  1.00 21.63           C  
-ATOM    654  NZ  LYS C 105      11.558  46.708   1.974  1.00 21.86           N  
-ATOM    655  N   PRO C 106      12.655  39.755   4.467  1.00 31.86           N  
-ATOM    656  CA  PRO C 106      13.487  38.837   3.675  1.00 38.93           C  
-ATOM    657  C   PRO C 106      14.495  39.569   2.777  1.00 38.20           C  
-ATOM    658  O   PRO C 106      14.123  40.503   2.062  1.00 35.51           O  
-ATOM    659  CB  PRO C 106      12.453  38.076   2.847  1.00 41.12           C  
-ATOM    660  CG  PRO C 106      11.268  38.006   3.756  1.00 38.21           C  
-ATOM    661  CD  PRO C 106      11.253  39.308   4.533  1.00 33.84           C  
-ATOM    662  N   PRO C 107      15.768  39.143   2.803  1.00 39.11           N  
-ATOM    663  CA  PRO C 107      16.285  37.945   3.473  1.00 42.37           C  
-ATOM    664  C   PRO C 107      16.765  38.157   4.918  1.00 47.47           C  
-ATOM    665  O   PRO C 107      17.202  37.185   5.543  1.00 50.84           O  
-ATOM    666  CB  PRO C 107      17.512  37.580   2.617  1.00 38.57           C  
-ATOM    667  CG  PRO C 107      17.711  38.738   1.638  1.00 36.66           C  
-ATOM    668  CD  PRO C 107      16.843  39.856   2.101  1.00 38.61           C  
-ATOM    669  N   LYS C 108      16.707  39.379   5.444  1.00 43.94           N  
-ATOM    670  CA  LYS C 108      17.435  39.660   6.685  1.00 42.25           C  
-ATOM    671  C   LYS C 108      16.631  40.242   7.841  1.00 27.76           C  
-ATOM    672  O   LYS C 108      15.511  40.721   7.669  1.00 23.02           O  
-ATOM    673  CB  LYS C 108      18.659  40.546   6.399  1.00 51.17           C  
-ATOM    674  CG  LYS C 108      19.742  39.835   5.596  1.00 59.88           C  
-ATOM    675  CD  LYS C 108      20.920  40.738   5.275  1.00 65.88           C  
-ATOM    676  CE  LYS C 108      21.974  39.974   4.480  1.00 69.72           C  
-ATOM    677  NZ  LYS C 108      22.329  38.683   5.146  1.00 68.56           N  
-ATOM    678  N   TRP C 109      17.227  40.168   9.029  1.00 25.36           N  
-ATOM    679  CA  TRP C 109      16.743  40.923  10.184  1.00 23.42           C  
-ATOM    680  C   TRP C 109      17.337  42.326  10.111  1.00 22.11           C  
-ATOM    681  O   TRP C 109      18.505  42.507   9.724  1.00 19.15           O  
-ATOM    682  CB  TRP C 109      17.118  40.242  11.510  1.00 22.05           C  
-ATOM    683  CG  TRP C 109      16.258  39.047  11.845  1.00 22.37           C  
-ATOM    684  CD1 TRP C 109      16.545  37.739  11.588  1.00 19.29           C  
-ATOM    685  CD2 TRP C 109      14.975  39.057  12.496  1.00 18.28           C  
-ATOM    686  NE1 TRP C 109      15.524  36.936  12.031  1.00 22.44           N  
-ATOM    687  CE2 TRP C 109      14.549  37.717  12.595  1.00 21.10           C  
-ATOM    688  CE3 TRP C 109      14.155  40.068  13.017  1.00 15.46           C  
-ATOM    689  CZ2 TRP C 109      13.328  37.354  13.184  1.00 22.00           C  
-ATOM    690  CZ3 TRP C 109      12.935  39.708  13.596  1.00 18.62           C  
-ATOM    691  CH2 TRP C 109      12.538  38.361  13.677  1.00 18.24           C  
-ATOM    692  N   SER C 110      16.518  43.312  10.458  1.00 19.43           N  
-ATOM    693  CA  SER C 110      16.959  44.693  10.518  1.00 19.49           C  
-ATOM    694  C   SER C 110      17.939  44.886  11.677  1.00 23.22           C  
-ATOM    695  O   SER C 110      18.151  43.983  12.504  1.00 17.10           O  
-ATOM    696  CB  SER C 110      15.759  45.623  10.706  1.00 15.19           C  
-ATOM    697  OG  SER C 110      15.334  45.621  12.053  1.00 13.88           O  
-ATOM    698  N   GLU C 111      18.544  46.069  11.721  1.00 22.49           N  
-ATOM    699  CA  GLU C 111      19.285  46.491  12.890  1.00 21.74           C  
-ATOM    700  C   GLU C 111      18.304  46.821  14.015  1.00 16.62           C  
-ATOM    701  O   GLU C 111      17.098  46.942  13.790  1.00 15.87           O  
-ATOM    702  CB  GLU C 111      20.145  47.711  12.541  1.00 25.01           C  
-ATOM    703  CG  GLU C 111      21.188  47.423  11.468  1.00 38.59           C  
-ATOM    704  CD  GLU C 111      22.176  46.318  11.859  1.00 55.05           C  
-ATOM    705  OE1 GLU C 111      22.806  46.410  12.949  1.00 61.81           O  
-ATOM    706  OE2 GLU C 111      22.332  45.370  11.051  1.00 58.99           O  
-ATOM    707  N   GLN C 112      18.818  46.952  15.230  1.00 16.91           N  
-ATOM    708  CA  GLN C 112      17.984  47.334  16.372  1.00 17.73           C  
-ATOM    709  C   GLN C 112      17.453  48.776  16.286  1.00 17.68           C  
-ATOM    710  O   GLN C 112      18.165  49.707  15.890  1.00 15.53           O  
-ATOM    711  CB  GLN C 112      18.760  47.153  17.687  1.00 16.59           C  
-ATOM    712  CG  GLN C 112      19.191  45.715  17.992  1.00 20.78           C  
-ATOM    713  CD  GLN C 112      18.026  44.783  18.324  1.00 20.40           C  
-ATOM    714  OE1 GLN C 112      16.897  45.232  18.538  1.00 19.23           O  
-ATOM    715  NE2 GLN C 112      18.304  43.477  18.378  1.00 16.99           N  
-ATOM    716  N   SER C 113      16.200  48.953  16.686  1.00 13.29           N  
-ATOM    717  CA  SER C 113      15.668  50.276  16.957  1.00 15.21           C  
-ATOM    718  C   SER C 113      16.409  50.873  18.157  1.00 20.26           C  
-ATOM    719  O   SER C 113      17.074  50.163  18.918  1.00 19.88           O  
-ATOM    720  CB  SER C 113      14.183  50.175  17.308  1.00 14.16           C  
-ATOM    721  OG  SER C 113      13.999  49.824  18.670  1.00 10.86           O  
-ATOM    722  N   ASP C 114      16.293  52.178  18.334  1.00 15.55           N  
-ATOM    723  CA  ASP C 114      16.767  52.789  19.566  1.00 21.54           C  
-ATOM    724  C   ASP C 114      15.990  52.229  20.757  1.00 19.64           C  
-ATOM    725  O   ASP C 114      14.921  51.628  20.580  1.00 14.60           O  
-ATOM    726  CB  ASP C 114      16.593  54.301  19.500  1.00 27.40           C  
-ATOM    727  CG  ASP C 114      17.704  55.029  20.182  1.00 39.35           C  
-ATOM    728  OD1 ASP C 114      18.242  54.507  21.195  1.00 40.13           O  
-ATOM    729  OD2 ASP C 114      18.044  56.124  19.694  1.00 47.34           O  
-ATOM    730  N   TYR C 115      16.533  52.430  21.961  1.00 17.04           N  
-ATOM    731  CA  TYR C 115      15.859  52.022  23.189  1.00 17.87           C  
-ATOM    732  C   TYR C 115      14.735  52.965  23.556  1.00 24.19           C  
-ATOM    733  O   TYR C 115      14.786  54.165  23.300  1.00 26.57           O  
-ATOM    734  CB  TYR C 115      16.832  51.925  24.366  1.00 19.32           C  
-ATOM    735  CG  TYR C 115      17.655  50.655  24.366  1.00 21.35           C  
-ATOM    736  CD1 TYR C 115      18.985  50.659  23.927  1.00 25.44           C  
-ATOM    737  CD2 TYR C 115      17.099  49.448  24.778  1.00 23.28           C  
-ATOM    738  CE1 TYR C 115      19.741  49.496  23.916  1.00 25.80           C  
-ATOM    739  CE2 TYR C 115      17.842  48.275  24.767  1.00 25.42           C  
-ATOM    740  CZ  TYR C 115      19.161  48.308  24.339  1.00 26.06           C  
-ATOM    741  OH  TYR C 115      19.898  47.148  24.332  1.00 33.39           O  
-ATOM    742  N   LEU C 116      13.712  52.387  24.160  1.00 21.53           N  
-ATOM    743  CA  LEU C 116      12.639  53.129  24.782  1.00 21.36           C  
-ATOM    744  C   LEU C 116      12.539  52.535  26.173  1.00 23.01           C  
-ATOM    745  O   LEU C 116      12.639  51.321  26.340  1.00 26.03           O  
-ATOM    746  CB  LEU C 116      11.333  52.903  24.019  1.00 30.25           C  
-ATOM    747  CG  LEU C 116      10.251  53.978  24.077  1.00 35.87           C  
-ATOM    748  CD1 LEU C 116      10.620  55.180  23.200  1.00 40.96           C  
-ATOM    749  CD2 LEU C 116       8.914  53.397  23.673  1.00 33.48           C  
-ATOM    750  N   GLU C 117      12.383  53.386  27.177  1.00 26.98           N  
-ATOM    751  CA  GLU C 117      12.195  52.907  28.537  1.00 30.71           C  
-ATOM    752  C   GLU C 117      10.758  53.121  29.002  1.00 30.52           C  
-ATOM    753  O   GLU C 117      10.232  54.233  28.925  1.00 28.63           O  
-ATOM    754  CB  GLU C 117      13.167  53.582  29.506  1.00 31.11           C  
-ATOM    755  CG  GLU C 117      13.023  53.069  30.919  1.00 33.63           C  
-ATOM    756  CD  GLU C 117      14.239  53.338  31.758  1.00 41.80           C  
-ATOM    757  OE1 GLU C 117      14.999  54.270  31.417  1.00 44.82           O  
-ATOM    758  OE2 GLU C 117      14.432  52.614  32.760  1.00 43.66           O  
-ATOM    759  N   LEU C 118      10.125  52.042  29.459  1.00 24.80           N  
-ATOM    760  CA  LEU C 118       8.798  52.141  30.026  1.00 24.07           C  
-ATOM    761  C   LEU C 118       8.936  52.383  31.516  1.00 26.49           C  
-ATOM    762  O   LEU C 118       9.691  51.682  32.193  1.00 23.62           O  
-ATOM    763  CB  LEU C 118       8.002  50.866  29.782  1.00 21.42           C  
-ATOM    764  CG  LEU C 118       6.543  50.929  30.216  1.00 21.11           C  
-ATOM    765  CD1 LEU C 118       5.880  52.088  29.524  1.00 24.65           C  
-ATOM    766  CD2 LEU C 118       5.837  49.643  29.884  1.00 24.87           C  
-ATOM    767  N   LEU C 119       8.210  53.382  32.017  1.00 32.68           N  
-ATOM    768  CA  LEU C 119       8.202  53.709  33.443  1.00 38.79           C  
-ATOM    769  C   LEU C 119       6.868  53.335  34.089  1.00 38.85           C  
-ATOM    770  O   LEU C 119       5.837  53.964  33.838  1.00 37.64           O  
-ATOM    771  CB  LEU C 119       8.521  55.190  33.660  1.00 40.77           C  
-ATOM    772  CG  LEU C 119       9.941  55.549  33.215  1.00 44.73           C  
-ATOM    773  CD1 LEU C 119      10.113  57.054  33.085  1.00 49.04           C  
-ATOM    774  CD2 LEU C 119      10.982  54.952  34.164  1.00 42.43           C  
-ATOM    775  N   VAL C 120       6.894  52.288  34.904  1.00 39.77           N  
-ATOM    776  CA  VAL C 120       5.685  51.815  35.570  1.00 48.65           C  
-ATOM    777  C   VAL C 120       5.541  52.466  36.937  1.00 52.81           C  
-ATOM    778  O   VAL C 120       6.107  52.006  37.938  1.00 54.04           O  
-ATOM    779  CB  VAL C 120       5.669  50.282  35.715  1.00 51.61           C  
-ATOM    780  CG1 VAL C 120       4.490  49.838  36.587  1.00 45.72           C  
-ATOM    781  CG2 VAL C 120       5.635  49.620  34.331  1.00 52.59           C  
-ATOM    782  N   LYS C 121       4.779  53.547  36.958  1.00 50.69           N  
-ATOM    783  CA  LYS C 121       4.575  54.330  38.154  1.00 58.63           C  
-ATOM    784  C   LYS C 121       3.497  55.305  37.751  1.00 66.18           C  
-ATOM    785  O   LYS C 121       3.230  55.464  36.559  1.00 66.92           O  
-ATOM    786  CB  LYS C 121       5.854  55.089  38.508  1.00 60.03           C  
-ATOM    787  CG  LYS C 121       6.360  55.959  37.368  1.00 57.90           C  
-ATOM    788  CD  LYS C 121       7.559  56.793  37.761  1.00 58.35           C  
-ATOM    789  CE  LYS C 121       8.074  57.566  36.562  1.00 59.59           C  
-ATOM    790  NZ  LYS C 121       9.020  58.642  36.952  1.00 63.76           N  
-ATOM    791  N   GLU C 122       2.869  55.946  38.730  1.00 70.28           N  
-ATOM    792  CA  GLU C 122       1.937  57.028  38.450  1.00 72.91           C  
-ATOM    793  C   GLU C 122       2.623  58.052  37.530  1.00 71.80           C  
-ATOM    794  O   GLU C 122       3.833  58.285  37.648  1.00 74.03           O  
-ATOM    795  CB  GLU C 122       1.496  57.673  39.767  1.00 78.82           C  
-ATOM    796  CG  GLU C 122       1.064  56.659  40.828  1.00 85.54           C  
-ATOM    797  CD  GLU C 122       0.933  57.264  42.218  1.00 94.29           C  
-ATOM    798  OE1 GLU C 122       1.430  58.391  42.427  1.00 99.03           O  
-ATOM    799  OE2 GLU C 122       0.335  56.609  43.103  1.00 94.75           O  
-ATOM    800  N   ALA C 123       1.873  58.641  36.599  1.00 64.35           N  
-ATOM    801  CA  ALA C 123       2.451  59.638  35.698  1.00 58.47           C  
-ATOM    802  C   ALA C 123       2.375  61.033  36.303  1.00 61.83           C  
-ATOM    803  O   ALA C 123       3.216  61.886  36.025  1.00 64.54           O  
-ATOM    804  CB  ALA C 123       1.764  59.610  34.351  1.00 54.77           C  

Deleted: SwiftApps/modFTDock/input/3kqi-2.pdb
===================================================================
--- SwiftApps/modFTDock/input/3kqi-2.pdb	2011-04-27 16:58:43 UTC (rev 4428)
+++ SwiftApps/modFTDock/input/3kqi-2.pdb	2011-04-27 17:28:58 UTC (rev 4429)
@@ -1,610 +0,0 @@
-ATOM      1  N   GLY A  -1     -13.966  24.881   3.471  1.00 33.79           N  
-ATOM      2  CA  GLY A  -1     -14.168  24.044   2.248  1.00 33.22           C  
-ATOM      3  C   GLY A  -1     -15.223  24.594   1.310  1.00 32.88           C  
-ATOM      4  O   GLY A  -1     -15.370  25.806   1.170  1.00 32.13           O  
-ATOM      5  N   SER A   0     -15.981  23.695   0.683  1.00 32.91           N  
-ATOM      6  CA  SER A   0     -17.002  24.090  -0.290  1.00 33.05           C  
-ATOM      7  C   SER A   0     -18.128  24.954   0.301  1.00 32.50           C  
-ATOM      8  O   SER A   0     -18.782  25.693  -0.429  1.00 32.23           O  
-ATOM      9  CB  SER A   0     -17.589  22.866  -0.994  1.00 33.38           C  
-ATOM     10  OG  SER A   0     -18.221  22.005  -0.069  1.00 35.54           O  
-ATOM     11  N   MET A   1     -18.335  24.867   1.615  1.00 31.97           N  
-ATOM     12  CA  MET A   1     -19.394  25.640   2.285  1.00 31.57           C  
-ATOM     13  C   MET A   1     -18.931  26.985   2.869  1.00 30.45           C  
-ATOM     14  O   MET A   1     -19.686  27.656   3.589  1.00 30.43           O  
-ATOM     15  CB  MET A   1     -20.077  24.784   3.361  1.00 32.42           C  
-ATOM     16  CG  MET A   1     -20.791  23.555   2.802  1.00 34.00           C  
-ATOM     17  SD  MET A   1     -21.971  23.970   1.494  1.00 40.67           S  
-ATOM     18  CE  MET A   1     -22.335  22.342   0.845  1.00 36.60           C  
-ATOM     19  N   ALA A   2     -17.699  27.381   2.550  1.00 29.06           N  
-ATOM     20  CA  ALA A   2     -17.158  28.658   3.000  1.00 27.71           C  
-ATOM     21  C   ALA A   2     -17.974  29.806   2.417  1.00 27.01           C  
-ATOM     22  O   ALA A   2     -18.543  29.685   1.331  1.00 27.02           O  
-ATOM     23  CB  ALA A   2     -15.696  28.798   2.593  1.00 27.83           C  
-ATOM     24  N   THR A   3     -18.029  30.917   3.140  1.00 25.56           N  
-ATOM     25  CA  THR A   3     -18.656  32.116   2.605  1.00 24.26           C  
-ATOM     26  C   THR A   3     -17.645  32.840   1.725  1.00 23.58           C  
-ATOM     27  O   THR A   3     -16.443  32.590   1.814  1.00 23.46           O  
-ATOM     28  CB  THR A   3     -19.118  33.064   3.721  1.00 24.23           C  
-ATOM     29  OG1 THR A   3     -17.981  33.459   4.497  1.00 24.72           O  
-ATOM     30  CG2 THR A   3     -20.154  32.375   4.634  1.00 23.92           C  
-ATOM     31  N   VAL A   4     -18.155  33.738   0.885  1.00 22.83           N  
-ATOM     32  CA AVAL A   4     -17.329  34.568   0.018  0.50 22.85           C  
-ATOM     33  CA BVAL A   4     -17.336  34.562   0.010  0.50 22.73           C  
-ATOM     34  C   VAL A   4     -17.872  35.993   0.098  1.00 22.63           C  
-ATOM     35  O   VAL A   4     -19.096  36.189   0.100  1.00 22.01           O  
-ATOM     36  CB AVAL A   4     -17.309  34.031  -1.454  0.50 23.28           C  
-ATOM     37  CB BVAL A   4     -17.399  34.026  -1.444  0.50 23.17           C  
-ATOM     38  CG1AVAL A   4     -18.649  34.257  -2.172  0.50 22.39           C  
-ATOM     39  CG1BVAL A   4     -16.797  34.996  -2.432  0.50 23.21           C  
-ATOM     40  CG2AVAL A   4     -16.160  34.619  -2.255  0.50 23.94           C  
-ATOM     41  CG2BVAL A   4     -16.715  32.657  -1.545  0.50 22.00           C  
-ATOM     42  N   PRO A   5     -16.967  37.002   0.198  1.00 22.54           N  
-ATOM     43  CA  PRO A   5     -17.430  38.397   0.147  1.00 22.09           C  
-ATOM     44  C   PRO A   5     -18.141  38.732  -1.166  1.00 22.28           C  
-ATOM     45  O   PRO A   5     -17.752  38.239  -2.227  1.00 21.87           O  
-ATOM     46  CB  PRO A   5     -16.122  39.198   0.201  1.00 22.29           C  
-ATOM     47  CG  PRO A   5     -15.180  38.300   0.950  1.00 22.09           C  
-ATOM     48  CD  PRO A   5     -15.505  36.938   0.415  1.00 22.31           C  
-ATOM     49  N   VAL A   6     -19.148  39.598  -1.085  1.00 21.73           N  
-ATOM     50  CA  VAL A   6     -19.846  40.088  -2.278  1.00 21.60           C  
-ATOM     51  C   VAL A   6     -19.875  41.608  -2.228  1.00 21.08           C  
-ATOM     52  O   VAL A   6     -19.733  42.202  -1.158  1.00 20.27           O  
-ATOM     53  CB  VAL A   6     -21.284  39.501  -2.420  1.00 21.55           C  
-ATOM     54  CG1 VAL A   6     -21.225  37.979  -2.639  1.00 22.02           C  
-ATOM     55  CG2 VAL A   6     -22.144  39.834  -1.213  1.00 22.36           C  
-ATOM     56  N   TYR A   7     -20.047  42.224  -3.393  1.00 20.68           N  
-ATOM     57  CA  TYR A   7     -19.843  43.657  -3.539  1.00 21.23           C  
-ATOM     58  C   TYR A   7     -20.846  44.254  -4.507  1.00 21.25           C  
-ATOM     59  O   TYR A   7     -21.600  43.525  -5.139  1.00 21.06           O  
-ATOM     60  CB  TYR A   7     -18.433  43.919  -4.106  1.00 21.10           C  
-ATOM     61  CG  TYR A   7     -17.304  43.341  -3.291  1.00 22.17           C  
-ATOM     62  CD1 TYR A   7     -16.780  44.034  -2.193  1.00 22.20           C  
-ATOM     63  CD2 TYR A   7     -16.765  42.091  -3.606  1.00 21.79           C  
-ATOM     64  CE1 TYR A   7     -15.741  43.499  -1.449  1.00 22.90           C  
-ATOM     65  CE2 TYR A   7     -15.723  41.553  -2.866  1.00 21.72           C  
-ATOM     66  CZ  TYR A   7     -15.216  42.257  -1.798  1.00 21.31           C  
-ATOM     67  OH  TYR A   7     -14.181  41.717  -1.070  1.00 21.91           O  
-ATOM     68  N   CYS A   8     -20.842  45.584  -4.600  1.00 21.95           N  
-ATOM     69  CA  CYS A   8     -21.490  46.320  -5.699  1.00 22.64           C  
-ATOM     70  C   CYS A   8     -23.014  46.313  -5.609  1.00 23.38           C  
-ATOM     71  O   CYS A   8     -23.590  45.730  -4.686  1.00 23.69           O  
-ATOM     72  CB  CYS A   8     -21.015  45.777  -7.060  1.00 22.63           C  
-ATOM     73  SG  CYS A   8     -21.360  46.800  -8.522  1.00 23.23           S  
-ATOM     74  N   VAL A   9     -23.672  46.972  -6.561  1.00 23.47           N  
-ATOM     75  CA  VAL A   9     -25.135  46.876  -6.655  1.00 24.28           C  
-ATOM     76  C   VAL A   9     -25.594  45.481  -7.107  1.00 24.31           C  
-ATOM     77  O   VAL A   9     -26.708  45.046  -6.793  1.00 24.94           O  
-ATOM     78  CB  VAL A   9     -25.740  47.976  -7.571  1.00 24.28           C  
-ATOM     79  CG1 VAL A   9     -25.420  49.358  -7.021  1.00 25.05           C  
-ATOM     80  CG2 VAL A   9     -25.241  47.852  -9.007  1.00 25.24           C  
-ATOM     81  N   CYS A  10     -24.729  44.771  -7.825  1.00 23.84           N  
-ATOM     82  CA  CYS A  10     -25.094  43.458  -8.375  1.00 23.34           C  
-ATOM     83  C   CYS A  10     -24.962  42.316  -7.363  1.00 23.12           C  
-ATOM     84  O   CYS A  10     -25.474  41.217  -7.597  1.00 23.16           O  
-ATOM     85  CB  CYS A  10     -24.252  43.166  -9.622  1.00 23.72           C  
-ATOM     86  SG  CYS A  10     -22.474  43.180  -9.289  1.00 23.34           S  
-ATOM     87  N   ARG A  11     -24.304  42.596  -6.238  1.00 22.39           N  
-ATOM     88  CA  ARG A  11     -24.047  41.607  -5.166  1.00 22.45           C  
-ATOM     89  C   ARG A  11     -23.335  40.355  -5.678  1.00 22.91           C  
-ATOM     90  O   ARG A  11     -23.769  39.234  -5.424  1.00 23.43           O  
-ATOM     91  CB  ARG A  11     -25.318  41.233  -4.379  1.00 22.25           C  
-ATOM     92  CG  ARG A  11     -26.153  42.415  -3.899  1.00 22.23           C  
-ATOM     93  CD  ARG A  11     -25.289  43.493  -3.274  1.00 22.42           C  
-ATOM     94  NE  ARG A  11     -24.690  43.110  -1.997  1.00 22.71           N  
-ATOM     95  CZ  ARG A  11     -23.664  43.753  -1.447  1.00 23.95           C  
-ATOM     96  NH1 ARG A  11     -23.119  44.778  -2.084  1.00 23.54           N  
-ATOM     97  NH2 ARG A  11     -23.173  43.373  -0.270  1.00 23.03           N  
-ATOM     98  N   LEU A  12     -22.247  40.567  -6.416  1.00 22.84           N  
-ATOM     99  CA  LEU A  12     -21.407  39.475  -6.873  1.00 23.39           C  
-ATOM    100  C   LEU A  12     -20.100  39.415  -6.087  1.00 23.18           C  
-ATOM    101  O   LEU A  12     -19.627  40.441  -5.577  1.00 22.86           O  
-ATOM    102  CB  LEU A  12     -21.083  39.634  -8.365  1.00 23.22           C  
-ATOM    103  CG  LEU A  12     -22.225  39.498  -9.384  1.00 25.46           C  
-ATOM    104  CD1 LEU A  12     -21.640  39.532 -10.797  1.00 26.49           C  
-ATOM    105  CD2 LEU A  12     -23.038  38.238  -9.188  1.00 27.34           C  
-ATOM    106  N   PRO A  13     -19.491  38.212  -6.026  1.00 23.48           N  
-ATOM    107  CA  PRO A  13     -18.152  38.071  -5.466  1.00 23.28           C  
-ATOM    108  C   PRO A  13     -17.153  38.721  -6.415  1.00 23.07           C  
-ATOM    109  O   PRO A  13     -17.483  39.009  -7.572  1.00 22.57           O  
-ATOM    110  CB  PRO A  13     -17.915  36.561  -5.452  1.00 23.67           C  
-ATOM    111  CG  PRO A  13     -19.210  35.919  -5.848  1.00 24.64           C  
-ATOM    112  CD  PRO A  13     -20.017  36.940  -6.549  1.00 23.82           C  
-ATOM    113  N   TYR A  14     -15.942  38.940  -5.921  1.00 22.19           N  
-ATOM    114  CA  TYR A  14     -14.934  39.649  -6.679  1.00 22.23           C  
-ATOM    115  C   TYR A  14     -14.497  38.848  -7.918  1.00 21.86           C  
-ATOM    116  O   TYR A  14     -14.353  37.626  -7.861  1.00 21.72           O  
-ATOM    117  CB  TYR A  14     -13.751  39.981  -5.756  1.00 22.38           C  
-ATOM    118  CG  TYR A  14     -12.625  40.746  -6.423  1.00 22.06           C  
-ATOM    119  CD1 TYR A  14     -12.875  41.863  -7.228  1.00 22.61           C  
-ATOM    120  CD2 TYR A  14     -11.301  40.368  -6.212  1.00 23.62           C  
-ATOM    121  CE1 TYR A  14     -11.823  42.560  -7.834  1.00 21.33           C  
-ATOM    122  CE2 TYR A  14     -10.247  41.061  -6.810  1.00 23.89           C  
-ATOM    123  CZ  TYR A  14     -10.520  42.147  -7.622  1.00 22.12           C  
-ATOM    124  OH  TYR A  14      -9.472  42.831  -8.212  1.00 23.16           O  
-ATOM    125  N   ASP A  15     -14.310  39.562  -9.026  1.00 21.57           N  
-ATOM    126  CA  ASP A  15     -13.833  39.026 -10.294  1.00 21.48           C  
-ATOM    127  C   ASP A  15     -12.634  39.890 -10.717  1.00 21.77           C  
-ATOM    128  O   ASP A  15     -12.798  41.074 -11.038  1.00 21.60           O  
-ATOM    129  CB  ASP A  15     -14.985  39.104 -11.310  1.00 21.27           C  
-ATOM    130  CG  ASP A  15     -14.568  38.765 -12.746  1.00 21.67           C  
-ATOM    131  OD1 ASP A  15     -13.370  38.560 -13.031  1.00 22.43           O  
-ATOM    132  OD2 ASP A  15     -15.471  38.717 -13.608  1.00 21.06           O  
-ATOM    133  N   VAL A  16     -11.428  39.319 -10.684  1.00 21.47           N  
-ATOM    134  CA  VAL A  16     -10.209  40.124 -10.946  1.00 22.66           C  
-ATOM    135  C   VAL A  16     -10.115  40.693 -12.367  1.00 22.90           C  
-ATOM    136  O   VAL A  16      -9.251  41.532 -12.645  1.00 24.02           O  
-ATOM    137  CB  VAL A  16      -8.894  39.340 -10.634  1.00 22.62           C  
-ATOM    138  CG1 VAL A  16      -8.909  38.847  -9.198  1.00 23.80           C  
-ATOM    139  CG2 VAL A  16      -8.708  38.169 -11.608  1.00 23.81           C  
-ATOM    140  N   THR A  17     -10.985  40.230 -13.264  1.00 22.97           N  
-ATOM    141  CA  THR A  17     -10.961  40.696 -14.658  1.00 22.79           C  
-ATOM    142  C   THR A  17     -11.811  41.941 -14.882  1.00 22.90           C  
-ATOM    143  O   THR A  17     -11.830  42.486 -15.988  1.00 23.41           O  
-ATOM    144  CB  THR A  17     -11.397  39.585 -15.644  1.00 22.79           C  
-ATOM    145  OG1 THR A  17     -12.788  39.296 -15.470  1.00 22.49           O  
-ATOM    146  CG2 THR A  17     -10.582  38.330 -15.405  1.00 23.10           C  
-ATOM    147  N   ARG A  18     -12.486  42.403 -13.826  1.00 22.93           N  
-ATOM    148  CA  ARG A  18     -13.363  43.574 -13.919  1.00 23.05           C  
-ATOM    149  C   ARG A  18     -12.908  44.705 -13.007  1.00 23.19           C  
-ATOM    150  O   ARG A  18     -12.611  44.483 -11.831  1.00 23.08           O  
-ATOM    151  CB  ARG A  18     -14.806  43.194 -13.581  1.00 23.25           C  
-ATOM    152  CG  ARG A  18     -15.372  42.151 -14.534  1.00 23.10           C  
-ATOM    153  CD  ARG A  18     -16.764  41.767 -14.127  1.00 22.77           C  
-ATOM    154  NE  ARG A  18     -17.716  42.855 -14.343  1.00 23.23           N  
-ATOM    155  CZ  ARG A  18     -18.973  42.823 -13.908  1.00 23.44           C  
-ATOM    156  NH1 ARG A  18     -19.407  41.773 -13.227  1.00 22.44           N  
-ATOM    157  NH2 ARG A  18     -19.789  43.842 -14.145  1.00 23.15           N  
-ATOM    158  N   PHE A  19     -12.850  45.907 -13.573  1.00 22.88           N  
-ATOM    159  CA  PHE A  19     -12.468  47.110 -12.845  1.00 23.56           C  
-ATOM    160  C   PHE A  19     -13.496  47.446 -11.750  1.00 22.94           C  
-ATOM    161  O   PHE A  19     -14.705  47.328 -11.970  1.00 23.45           O  
-ATOM    162  CB  PHE A  19     -12.317  48.288 -13.822  1.00 24.02           C  
-ATOM    163  CG  PHE A  19     -12.318  49.625 -13.153  1.00 25.10           C  
-ATOM    164  CD1 PHE A  19     -11.200  50.061 -12.440  1.00 25.95           C  
-ATOM    165  CD2 PHE A  19     -13.450  50.431 -13.202  1.00 25.75           C  
-ATOM    166  CE1 PHE A  19     -11.211  51.303 -11.796  1.00 27.73           C  
-ATOM    167  CE2 PHE A  19     -13.465  51.674 -12.555  1.00 27.23           C  
-ATOM    168  CZ  PHE A  19     -12.351  52.091 -11.845  1.00 25.93           C  
-ATOM    169  N   MET A  20     -13.009  47.867 -10.584  1.00 22.88           N  
-ATOM    170  CA  MET A  20     -13.892  48.325  -9.495  1.00 22.71           C  
-ATOM    171  C   MET A  20     -13.397  49.591  -8.802  1.00 23.16           C  
-ATOM    172  O   MET A  20     -12.189  49.861  -8.756  1.00 23.45           O  
-ATOM    173  CB  MET A  20     -14.110  47.220  -8.445  1.00 22.25           C  
-ATOM    174  CG  MET A  20     -14.595  45.895  -9.017  1.00 22.73           C  
-ATOM    175  SD  MET A  20     -15.015  44.741  -7.688  1.00 23.84           S  
-ATOM    176  CE  MET A  20     -16.738  45.138  -7.400  1.00 24.18           C  
-ATOM    177  N   ILE A  21     -14.340  50.356  -8.254  1.00 23.05           N  
-ATOM    178  CA  ILE A  21     -14.025  51.591  -7.530  1.00 23.06           C  
-ATOM    179  C   ILE A  21     -14.731  51.597  -6.165  1.00 23.48           C  
-ATOM    180  O   ILE A  21     -15.867  51.130  -6.047  1.00 23.40           O  
-ATOM    181  CB  ILE A  21     -14.372  52.844  -8.402  1.00 23.12           C  
-ATOM    182  CG1 ILE A  21     -13.938  54.153  -7.719  1.00 23.46           C  
-ATOM    183  CG2 ILE A  21     -15.862  52.839  -8.811  1.00 23.41           C  
-ATOM    184  CD1 ILE A  21     -13.940  55.367  -8.689  1.00 23.27           C  
-ATOM    185  N   GLU A  22     -14.044  52.082  -5.131  1.00 23.39           N  
-ATOM    186  CA  GLU A  22     -14.589  52.076  -3.786  1.00 24.20           C  
-ATOM    187  C   GLU A  22     -15.380  53.351  -3.540  1.00 24.20           C  
-ATOM    188  O   GLU A  22     -14.906  54.451  -3.850  1.00 23.92           O  
-ATOM    189  CB  GLU A  22     -13.451  51.985  -2.758  1.00 24.17           C  
-ATOM    190  CG  GLU A  22     -13.927  51.826  -1.322  1.00 26.57           C  
-ATOM    191  CD  GLU A  22     -12.833  52.160  -0.315  1.00 29.50           C  
-ATOM    192  OE1 GLU A  22     -12.132  53.174  -0.510  1.00 31.92           O  
-ATOM    193  OE2 GLU A  22     -12.697  51.425   0.678  1.00 31.92           O  
-ATOM    194  N   CYS A  23     -16.583  53.205  -2.994  1.00 23.42           N  
-ATOM    195  CA  CYS A  23     -17.316  54.361  -2.503  1.00 23.34           C  
-ATOM    196  C   CYS A  23     -16.719  54.804  -1.164  1.00 23.66           C  
-ATOM    197  O   CYS A  23     -16.656  54.026  -0.213  1.00 22.31           O  
-ATOM    198  CB  CYS A  23     -18.806  54.037  -2.337  1.00 24.04           C  
-ATOM    199  SG  CYS A  23     -19.725  55.399  -1.600  1.00 22.38           S  
-ATOM    200  N   ASP A  24     -16.304  56.063  -1.089  1.00 23.54           N  
-ATOM    201  CA  ASP A  24     -15.660  56.574   0.124  1.00 24.13           C  
-ATOM    202  C   ASP A  24     -16.608  56.617   1.323  1.00 24.26           C  
-ATOM    203  O   ASP A  24     -16.161  56.637   2.476  1.00 24.97           O  
-ATOM    204  CB  ASP A  24     -15.060  57.960  -0.120  1.00 23.85           C  
-ATOM    205  CG  ASP A  24     -14.152  58.410   1.023  1.00 26.41           C  
-ATOM    206  OD1 ASP A  24     -13.229  57.646   1.412  1.00 25.81           O  
-ATOM    207  OD2 ASP A  24     -14.378  59.521   1.546  1.00 29.86           O  
-ATOM    208  N   ALA A  25     -17.911  56.626   1.050  1.00 24.37           N  
-ATOM    209  CA  ALA A  25     -18.912  56.721   2.118  1.00 24.80           C  
-ATOM    210  C   ALA A  25     -19.260  55.361   2.714  1.00 25.03           C  
-ATOM    211  O   ALA A  25     -19.003  55.118   3.906  1.00 25.62           O  
-ATOM    212  CB  ALA A  25     -20.180  57.466   1.631  1.00 24.95           C  
-ATOM    213  N   CYS A  26     -19.841  54.470   1.906  1.00 24.62           N  
-ATOM    214  CA  CYS A  26     -20.301  53.173   2.416  1.00 24.39           C  
-ATOM    215  C   CYS A  26     -19.196  52.108   2.438  1.00 24.25           C  
-ATOM    216  O   CYS A  26     -19.372  51.029   3.030  1.00 24.12           O  
-ATOM    217  CB  CYS A  26     -21.515  52.675   1.619  1.00 24.31           C  
-ATOM    218  SG  CYS A  26     -21.182  52.272  -0.108  1.00 25.68           S  
-ATOM    219  N   LYS A  27     -18.078  52.405   1.765  1.00 23.58           N  
-ATOM    220  CA  LYS A  27     -16.901  51.513   1.697  1.00 23.80           C  
-ATOM    221  C   LYS A  27     -17.137  50.209   0.913  1.00 24.21           C  
-ATOM    222  O   LYS A  27     -16.303  49.291   0.945  1.00 25.25           O  
-ATOM    223  CB  LYS A  27     -16.323  51.208   3.102  1.00 23.70           C  
-ATOM    224  CG  LYS A  27     -16.017  52.429   3.971  1.00 23.00           C  
-ATOM    225  CD  LYS A  27     -15.041  53.393   3.275  1.00 22.45           C  
-ATOM    226  CE  LYS A  27     -14.558  54.455   4.237  1.00 24.08           C  
-ATOM    227  NZ  LYS A  27     -13.734  55.484   3.547  1.00 23.15           N  
-ATOM    228  N   ASP A  28     -18.259  50.126   0.204  1.00 23.88           N  
-ATOM    229  CA  ASP A  28     -18.483  48.988  -0.686  1.00 23.53           C  
-ATOM    230  C   ASP A  28     -17.720  49.284  -1.973  1.00 23.56           C  
-ATOM    231  O   ASP A  28     -17.255  50.419  -2.188  1.00 23.78           O  
-ATOM    232  CB  ASP A  28     -19.981  48.779  -0.948  1.00 23.77           C  
-ATOM    233  CG  ASP A  28     -20.333  47.322  -1.284  1.00 24.08           C  
-ATOM    234  OD1 ASP A  28     -19.467  46.569  -1.779  1.00 23.35           O  
-ATOM    235  OD2 ASP A  28     -21.500  46.934  -1.070  1.00 27.08           O  
-ATOM    236  N   TRP A  29     -17.577  48.260  -2.810  1.00 23.30           N  
-ATOM    237  CA  TRP A  29     -16.871  48.370  -4.079  1.00 23.05           C  
-ATOM    238  C   TRP A  29     -17.822  48.138  -5.226  1.00 22.93           C  
-ATOM    239  O   TRP A  29     -18.753  47.342  -5.102  1.00 21.98           O  
-ATOM    240  CB  TRP A  29     -15.747  47.344  -4.138  1.00 23.42           C  
-ATOM    241  CG  TRP A  29     -14.646  47.641  -3.169  1.00 23.33           C  
-ATOM    242  CD1 TRP A  29     -14.624  47.378  -1.816  1.00 24.04           C  
-ATOM    243  CD2 TRP A  29     -13.406  48.275  -3.478  1.00 23.24           C  
-ATOM    244  NE1 TRP A  29     -13.434  47.816  -1.277  1.00 24.31           N  
-ATOM    245  CE2 TRP A  29     -12.671  48.371  -2.274  1.00 23.75           C  
-ATOM    246  CE3 TRP A  29     -12.846  48.787  -4.662  1.00 24.31           C  
-ATOM    247  CZ2 TRP A  29     -11.393  48.940  -2.222  1.00 24.49           C  
-ATOM    248  CZ3 TRP A  29     -11.571  49.351  -4.606  1.00 24.26           C  
-ATOM    249  CH2 TRP A  29     -10.864  49.419  -3.392  1.00 24.51           C  
-ATOM    250  N   PHE A  30     -17.572  48.822  -6.345  1.00 21.88           N  
-ATOM    251  CA  PHE A  30     -18.531  48.874  -7.454  1.00 22.86           C  
-ATOM    252  C   PHE A  30     -17.862  48.626  -8.795  1.00 22.75           C  
-ATOM    253  O   PHE A  30     -16.822  49.221  -9.089  1.00 22.54           O  
-ATOM    254  CB  PHE A  30     -19.243  50.237  -7.456  1.00 22.88           C  
-ATOM    255  CG  PHE A  30     -20.072  50.459  -6.227  1.00 22.78           C  
-ATOM    256  CD1 PHE A  30     -21.405  50.061  -6.199  1.00 23.41           C  
-ATOM    257  CD2 PHE A  30     -19.498  50.995  -5.064  1.00 23.06           C  
-ATOM    258  CE1 PHE A  30     -22.167  50.210  -5.048  1.00 23.96           C  
-ATOM    259  CE2 PHE A  30     -20.260  51.143  -3.897  1.00 22.72           C  
-ATOM    260  CZ  PHE A  30     -21.594  50.753  -3.896  1.00 23.97           C  
-ATOM    261  N   HIS A  31     -18.439  47.732  -9.604  1.00 23.01           N  
-ATOM    262  CA  HIS A  31     -17.960  47.534 -10.961  1.00 23.24           C  
-ATOM    263  C   HIS A  31     -18.203  48.820 -11.721  1.00 23.69           C  
-ATOM    264  O   HIS A  31     -19.305  49.371 -11.670  1.00 23.37           O  
-ATOM    265  CB  HIS A  31     -18.730  46.416 -11.678  1.00 23.07           C  
-ATOM    266  CG  HIS A  31     -18.531  45.056 -11.084  1.00 23.42           C  
-ATOM    267  ND1 HIS A  31     -19.544  44.374 -10.441  1.00 23.64           N  
-ATOM    268  CD2 HIS A  31     -17.447  44.243 -11.050  1.00 23.42           C  
-ATOM    269  CE1 HIS A  31     -19.091  43.200 -10.034  1.00 24.63           C  
-ATOM    270  NE2 HIS A  31     -17.820  43.098 -10.384  1.00 22.95           N  
-ATOM    271  N   GLY A  32     -17.180  49.305 -12.418  1.00 23.96           N  
-ATOM    272  CA  GLY A  32     -17.346  50.491 -13.255  1.00 25.15           C  
-ATOM    273  C   GLY A  32     -18.528  50.332 -14.196  1.00 25.81           C  
-ATOM    274  O   GLY A  32     -19.301  51.274 -14.403  1.00 26.24           O  
-ATOM    275  N   SER A  33     -18.693  49.129 -14.746  1.00 25.97           N  
-ATOM    276  CA  SER A  33     -19.794  48.867 -15.685  1.00 26.27           C  
-ATOM    277  C   SER A  33     -21.178  48.912 -15.026  1.00 26.16           C  
-ATOM    278  O   SER A  33     -22.174  49.173 -15.701  1.00 25.83           O  
-ATOM    279  CB  SER A  33     -19.588  47.546 -16.440  1.00 26.62           C  
-ATOM    280  OG  SER A  33     -19.358  46.481 -15.548  1.00 27.80           O  
-ATOM    281  N   CYS A  34     -21.234  48.668 -13.715  1.00 25.79           N  
-ATOM    282  CA  CYS A  34     -22.500  48.702 -12.964  1.00 25.70           C  
-ATOM    283  C   CYS A  34     -22.914  50.117 -12.556  1.00 26.18           C  
-ATOM    284  O   CYS A  34     -24.103  50.382 -12.336  1.00 26.83           O  
-ATOM    285  CB  CYS A  34     -22.418  47.808 -11.716  1.00 25.55           C  
-ATOM    286  SG  CYS A  34     -22.431  46.042 -12.076  1.00 23.99           S  
-ATOM    287  N   VAL A  35     -21.943  51.015 -12.437  1.00 25.84           N  
-ATOM    288  CA  VAL A  35     -22.217  52.370 -11.948  1.00 26.21           C  
-ATOM    289  C   VAL A  35     -21.849  53.487 -12.935  1.00 26.49           C  
-ATOM    290  O   VAL A  35     -21.910  54.671 -12.585  1.00 26.73           O  
-ATOM    291  CB  VAL A  35     -21.526  52.648 -10.588  1.00 25.90           C  
-ATOM    292  CG1 VAL A  35     -22.104  51.757  -9.477  1.00 25.45           C  
-ATOM    293  CG2 VAL A  35     -20.004  52.503 -10.710  1.00 25.30           C  
-ATOM    294  N   GLY A  36     -21.468  53.115 -14.156  1.00 26.79           N  
-ATOM    295  CA  GLY A  36     -21.150  54.102 -15.195  1.00 27.42           C  
-ATOM    296  C   GLY A  36     -19.834  54.840 -15.014  1.00 27.77           C  
-ATOM    297  O   GLY A  36     -19.738  56.033 -15.304  1.00 27.68           O  
-ATOM    298  N   VAL A  37     -18.812  54.130 -14.545  1.00 27.68           N  
-ATOM    299  CA  VAL A  37     -17.477  54.700 -14.398  1.00 27.94           C  
-ATOM    300  C   VAL A  37     -16.503  53.888 -15.250  1.00 28.56           C  
-ATOM    301  O   VAL A  37     -16.392  52.678 -15.084  1.00 28.51           O  
-ATOM    302  CB  VAL A  37     -17.003  54.696 -12.909  1.00 27.94           C  
-ATOM    303  CG1 VAL A  37     -15.556  55.191 -12.797  1.00 27.48           C  
-ATOM    304  CG2 VAL A  37     -17.930  55.549 -12.024  1.00 27.03           C  
-ATOM    305  N   GLU A  38     -15.798  54.553 -16.161  1.00 29.19           N  
-ATOM    306  CA  GLU A  38     -14.808  53.886 -17.008  1.00 29.93           C  
-ATOM    307  C   GLU A  38     -13.483  53.790 -16.272  1.00 29.69           C  
-ATOM    308  O   GLU A  38     -13.116  54.716 -15.549  1.00 30.01           O  
-ATOM    309  CB  GLU A  38     -14.626  54.650 -18.325  1.00 30.48           C  
-ATOM    310  CG  GLU A  38     -15.913  54.789 -19.111  1.00 33.28           C  
-ATOM    311  CD  GLU A  38     -15.700  55.317 -20.512  1.00 37.85           C  
-ATOM    312  OE1 GLU A  38     -14.731  56.081 -20.735  1.00 39.76           O  
-ATOM    313  OE2 GLU A  38     -16.519  54.972 -21.394  1.00 40.00           O  
-ATOM    314  N   GLU A  39     -12.773  52.674 -16.444  1.00 29.44           N  
-ATOM    315  CA  GLU A  39     -11.490  52.469 -15.764  1.00 29.96           C  
-ATOM    316  C   GLU A  39     -10.537  53.635 -16.029  1.00 30.11           C  
-ATOM    317  O   GLU A  39      -9.869  54.115 -15.118  1.00 29.61           O  
-ATOM    318  CB  GLU A  39     -10.851  51.120 -16.148  1.00 29.66           C  
-ATOM    319  CG  GLU A  39      -9.488  50.862 -15.485  1.00 30.16           C  
-ATOM    320  CD  GLU A  39      -9.045  49.403 -15.513  1.00 30.74           C  
-ATOM    321  OE1 GLU A  39      -9.680  48.585 -16.217  1.00 32.39           O  
-ATOM    322  OE2 GLU A  39      -8.052  49.071 -14.822  1.00 31.68           O  
-ATOM    323  N   GLU A  40     -10.521  54.105 -17.274  1.00 30.35           N  
-ATOM    324  CA  GLU A  40      -9.632  55.193 -17.684  1.00 31.15           C  
-ATOM    325  C   GLU A  40     -10.021  56.579 -17.147  1.00 30.88           C  
-ATOM    326  O   GLU A  40      -9.200  57.505 -17.160  1.00 31.17           O  
-ATOM    327  CB  GLU A  40      -9.462  55.205 -19.215  1.00 31.91           C  
-ATOM    328  CG  GLU A  40      -8.891  53.896 -19.815  1.00 35.51           C  
-ATOM    329  CD  GLU A  40      -7.698  53.304 -19.041  1.00 41.28           C  
-ATOM    330  OE1 GLU A  40      -6.886  54.073 -18.474  1.00 43.82           O  
-ATOM    331  OE2 GLU A  40      -7.563  52.056 -19.008  1.00 43.09           O  
-ATOM    332  N   GLU A  41     -11.257  56.725 -16.667  1.00 30.55           N  
-ATOM    333  CA  GLU A  41     -11.711  57.995 -16.092  1.00 30.35           C  
-ATOM    334  C   GLU A  41     -11.468  58.049 -14.588  1.00 28.71           C  
-ATOM    335  O   GLU A  41     -11.400  59.130 -13.999  1.00 27.51           O  
-ATOM    336  CB  GLU A  41     -13.194  58.252 -16.410  1.00 30.88           C  
-ATOM    337  CG  GLU A  41     -14.185  57.797 -15.336  1.00 33.54           C  
-ATOM    338  CD  GLU A  41     -15.639  57.938 -15.758  1.00 33.76           C  
-ATOM    339  OE1 GLU A  41     -16.060  57.251 -16.716  1.00 35.65           O  
-ATOM    340  OE2 GLU A  41     -16.362  58.734 -15.110  1.00 40.12           O  
-ATOM    341  N   ALA A  42     -11.334  56.875 -13.966  1.00 27.35           N  
-ATOM    342  CA  ALA A  42     -11.242  56.805 -12.511  1.00 26.78           C  
-ATOM    343  C   ALA A  42     -10.056  57.547 -11.871  1.00 26.14           C  
-ATOM    344  O   ALA A  42     -10.219  58.109 -10.781  1.00 26.32           O  
-ATOM    345  CB  ALA A  42     -11.301  55.348 -12.033  1.00 26.61           C  
-ATOM    346  N   PRO A  43      -8.873  57.559 -12.524  1.00 26.27           N  
-ATOM    347  CA  PRO A  43      -7.754  58.316 -11.953  1.00 25.65           C  
-ATOM    348  C   PRO A  43      -8.056  59.789 -11.710  1.00 25.98           C  
-ATOM    349  O   PRO A  43      -7.387  60.408 -10.878  1.00 26.03           O  
-ATOM    350  CB  PRO A  43      -6.663  58.165 -13.014  1.00 26.57           C  
-ATOM    351  CG  PRO A  43      -6.956  56.849 -13.626  1.00 26.49           C  
-ATOM    352  CD  PRO A  43      -8.455  56.880 -13.765  1.00 25.58           C  
-ATOM    353  N   ASP A  44      -9.033  60.348 -12.425  1.00 25.50           N  
-ATOM    354  CA  ASP A  44      -9.448  61.729 -12.174  1.00 25.44           C  
-ATOM    355  C   ASP A  44     -10.455  61.916 -11.031  1.00 25.66           C  
-ATOM    356  O   ASP A  44     -10.689  63.046 -10.590  1.00 25.75           O  
-ATOM    357  CB  ASP A  44      -9.961  62.380 -13.459  1.00 25.38           C  
-ATOM    358  CG  ASP A  44      -8.839  62.758 -14.385  1.00 25.48           C  
-ATOM    359  OD1 ASP A  44      -7.909  63.470 -13.933  1.00 23.76           O  
-ATOM    360  OD2 ASP A  44      -8.889  62.345 -15.556  1.00 25.78           O  
-ATOM    361  N   ILE A  45     -11.043  60.824 -10.544  1.00 25.31           N  
-ATOM    362  CA  ILE A  45     -11.979  60.923  -9.432  1.00 24.90           C  
-ATOM    363  C   ILE A  45     -11.232  61.018  -8.094  1.00 25.19           C  
-ATOM    364  O   ILE A  45     -10.371  60.196  -7.779  1.00 25.22           O  
-ATOM    365  CB  ILE A  45     -13.039  59.763  -9.439  1.00 25.09           C  
-ATOM    366  CG1 ILE A  45     -13.778  59.737 -10.795  1.00 24.53           C  
-ATOM    367  CG2 ILE A  45     -14.018  59.921  -8.253  1.00 25.34           C  
-ATOM    368  CD1 ILE A  45     -14.574  58.451 -11.074  1.00 25.18           C  
-ATOM    369  N   ASP A  46     -11.555  62.051  -7.325  1.00 25.22           N  
-ATOM    370  CA  ASP A  46     -10.993  62.224  -5.998  1.00 25.78           C  
-ATOM    371  C   ASP A  46     -11.842  61.420  -5.019  1.00 26.12           C  
-ATOM    372  O   ASP A  46     -11.463  60.311  -4.650  1.00 26.03           O  
-ATOM    373  CB  ASP A  46     -10.955  63.719  -5.623  1.00 25.73           C  
-ATOM    374  CG  ASP A  46     -10.306  63.977  -4.264  1.00 27.49           C  
-ATOM    375  OD1 ASP A  46     -10.428  65.119  -3.767  1.00 27.86           O  
-ATOM    376  OD2 ASP A  46      -9.673  63.056  -3.696  1.00 29.90           O  
-ATOM    377  N   ILE A  47     -12.988  61.975  -4.610  1.00 26.38           N  
-ATOM    378  CA  ILE A  47     -13.910  61.254  -3.726  1.00 26.80           C  
-ATOM    379  C   ILE A  47     -15.022  60.623  -4.555  1.00 25.95           C  
-ATOM    380  O   ILE A  47     -15.835  61.335  -5.150  1.00 25.95           O  
-ATOM    381  CB  ILE A  47     -14.522  62.160  -2.622  1.00 26.74           C  
-ATOM    382  CG1 ILE A  47     -13.412  62.829  -1.795  1.00 27.82           C  
-ATOM    383  CG2 ILE A  47     -15.466  61.320  -1.717  1.00 26.89           C  
-ATOM    384  CD1 ILE A  47     -13.888  63.897  -0.790  1.00 28.74           C  
-ATOM    385  N   TYR A  48     -15.056  59.291  -4.589  1.00 25.25           N  
-ATOM    386  CA  TYR A  48     -16.126  58.572  -5.268  1.00 24.39           C  
-ATOM    387  C   TYR A  48     -17.281  58.267  -4.323  1.00 23.97           C  
-ATOM    388  O   TYR A  48     -17.077  57.723  -3.235  1.00 23.75           O  
-ATOM    389  CB  TYR A  48     -15.644  57.272  -5.935  1.00 24.66           C  
-ATOM    390  CG  TYR A  48     -16.802  56.571  -6.604  1.00 24.78           C  
-ATOM    391  CD1 TYR A  48     -17.382  57.112  -7.764  1.00 24.14           C  
-ATOM    392  CD2 TYR A  48     -17.364  55.412  -6.057  1.00 23.57           C  
-ATOM    393  CE1 TYR A  48     -18.476  56.516  -8.368  1.00 25.52           C  
-ATOM    394  CE2 TYR A  48     -18.483  54.799  -6.664  1.00 23.76           C  
-ATOM    395  CZ  TYR A  48     -19.022  55.361  -7.819  1.00 24.82           C  
-ATOM    396  OH  TYR A  48     -20.116  54.789  -8.436  1.00 25.44           O  
-ATOM    397  N   HIS A  49     -18.487  58.647  -4.743  1.00 23.57           N  
-ATOM    398  CA  HIS A  49     -19.712  58.235  -4.066  1.00 24.13           C  
-ATOM    399  C   HIS A  49     -20.579  57.435  -5.031  1.00 24.56           C  
-ATOM    400  O   HIS A  49     -20.842  57.877  -6.155  1.00 24.31           O  
-ATOM    401  CB  HIS A  49     -20.486  59.444  -3.524  1.00 24.41           C  
-ATOM    402  CG  HIS A  49     -19.840  60.092  -2.337  1.00 24.45           C  
-ATOM    403  ND1 HIS A  49     -20.134  61.379  -1.941  1.00 25.79           N  
-ATOM    404  CD2 HIS A  49     -18.928  59.624  -1.449  1.00 25.43           C  
-ATOM    405  CE1 HIS A  49     -19.431  61.678  -0.862  1.00 26.09           C  
-ATOM    406  NE2 HIS A  49     -18.688  60.632  -0.545  1.00 26.15           N  
-ATOM    407  N   CYS A  50     -21.010  56.258  -4.586  1.00 24.77           N  
-ATOM    408  CA  CYS A  50     -21.888  55.412  -5.387  1.00 25.85           C  
-ATOM    409  C   CYS A  50     -23.262  56.086  -5.570  1.00 26.75           C  
-ATOM    410  O   CYS A  50     -23.603  57.013  -4.829  1.00 26.25           O  
-ATOM    411  CB  CYS A  50     -22.030  54.046  -4.718  1.00 25.53           C  
-ATOM    412  SG  CYS A  50     -22.995  54.035  -3.186  1.00 25.45           S  
-ATOM    413  N   PRO A  51     -24.050  55.631  -6.567  1.00 27.89           N  
-ATOM    414  CA  PRO A  51     -25.373  56.206  -6.824  1.00 28.74           C  
-ATOM    415  C   PRO A  51     -26.276  56.281  -5.588  1.00 29.33           C  
-ATOM    416  O   PRO A  51     -26.998  57.263  -5.427  1.00 30.25           O  
-ATOM    417  CB  PRO A  51     -25.954  55.266  -7.889  1.00 29.01           C  
-ATOM    418  CG  PRO A  51     -24.735  54.823  -8.655  1.00 28.57           C  
-ATOM    419  CD  PRO A  51     -23.722  54.574  -7.545  1.00 27.93           C  
-ATOM    420  N   ASN A  52     -26.220  55.285  -4.712  1.00 30.00           N  
-ATOM    421  CA  ASN A  52     -27.008  55.337  -3.469  1.00 30.88           C  
-ATOM    422  C   ASN A  52     -26.500  56.400  -2.493  1.00 30.36           C  
-ATOM    423  O   ASN A  52     -27.285  57.204  -1.977  1.00 30.82           O  
-ATOM    424  CB  ASN A  52     -27.087  53.961  -2.807  1.00 31.20           C  
-ATOM    425  CG  ASN A  52     -27.985  52.995  -3.574  1.00 34.07           C  
-ATOM    426  OD1 ASN A  52     -29.060  53.371  -4.060  1.00 37.52           O  
-ATOM    427  ND2 ASN A  52     -27.551  51.744  -3.683  1.00 36.34           N  
-ATOM    428  N   CYS A  53     -25.186  56.435  -2.271  1.00 29.58           N  
-ATOM    429  CA  CYS A  53     -24.591  57.411  -1.343  1.00 29.19           C  
-ATOM    430  C   CYS A  53     -24.618  58.862  -1.823  1.00 29.84           C  
-ATOM    431  O   CYS A  53     -24.605  59.781  -1.001  1.00 29.16           O  
-ATOM    432  CB  CYS A  53     -23.164  57.012  -0.973  1.00 28.27           C  
-ATOM    433  SG  CYS A  53     -23.105  55.581   0.117  1.00 26.19           S  
-ATOM    434  N   GLU A  54     -24.653  59.061  -3.142  1.00 30.80           N  
-ATOM    435  CA  GLU A  54     -24.775  60.395  -3.736  1.00 32.48           C  
-ATOM    436  C   GLU A  54     -25.906  61.184  -3.091  1.00 32.62           C  
-ATOM    437  O   GLU A  54     -25.769  62.373  -2.788  1.00 32.96           O  
-ATOM    438  CB  GLU A  54     -25.122  60.289  -5.218  1.00 32.84           C  
-ATOM    439  CG  GLU A  54     -24.004  59.967  -6.147  1.00 36.89           C  
-ATOM    440  CD  GLU A  54     -24.470  59.978  -7.594  1.00 40.39           C  
-ATOM    441  OE1 GLU A  54     -25.600  59.511  -7.873  1.00 43.32           O  
-ATOM    442  OE2 GLU A  54     -23.713  60.459  -8.453  1.00 41.80           O  
-ATOM    443  N   LYS A  55     -27.024  60.496  -2.896  1.00 33.03           N  
-ATOM    444  CA  LYS A  55     -28.270  61.117  -2.468  1.00 33.73           C  
-ATOM    445  C   LYS A  55     -28.139  61.868  -1.148  1.00 33.46           C  
-ATOM    446  O   LYS A  55     -28.800  62.884  -0.951  1.00 34.10           O  
-ATOM    447  CB  LYS A  55     -29.381  60.066  -2.398  1.00 33.92           C  
-ATOM    448  CG  LYS A  55     -29.654  59.383  -3.734  1.00 35.43           C  
-ATOM    449  CD  LYS A  55     -30.568  58.178  -3.586  1.00 38.05           C  
-ATOM    450  CE  LYS A  55     -30.489  57.289  -4.823  1.00 39.27           C  
-ATOM    451  NZ  LYS A  55     -31.559  56.254  -4.833  1.00 41.42           N  
-ATOM    452  N   THR A  56     -27.279  61.386  -0.251  1.00 32.94           N  
-ATOM    453  CA  THR A  56     -27.119  62.040   1.052  1.00 32.71           C  
-ATOM    454  C   THR A  56     -25.727  62.619   1.307  1.00 31.84           C  
-ATOM    455  O   THR A  56     -25.579  63.535   2.115  1.00 31.40           O  
-ATOM    456  CB  THR A  56     -27.521  61.111   2.214  1.00 32.81           C  
-ATOM    457  OG1 THR A  56     -26.795  59.885   2.118  1.00 34.40           O  
-ATOM    458  CG2 THR A  56     -29.014  60.810   2.163  1.00 33.72           C  
-ATOM    459  N   HIS A  57     -24.723  62.097   0.603  1.00 30.78           N  
-ATOM    460  CA  HIS A  57     -23.332  62.479   0.821  1.00 30.34           C  
-ATOM    461  C   HIS A  57     -22.762  63.344  -0.301  1.00 29.88           C  
-ATOM    462  O   HIS A  57     -21.601  63.769  -0.236  1.00 29.55           O  
-ATOM    463  CB  HIS A  57     -22.461  61.231   0.982  1.00 30.50           C  
-ATOM    464  CG  HIS A  57     -22.816  60.398   2.170  1.00 32.07           C  
-ATOM    465  ND1 HIS A  57     -22.469  60.753   3.455  1.00 33.50           N  
-ATOM    466  CD2 HIS A  57     -23.478  59.222   2.270  1.00 34.27           C  
-ATOM    467  CE1 HIS A  57     -22.907  59.834   4.297  1.00 34.96           C  
-ATOM    468  NE2 HIS A  57     -23.523  58.894   3.603  1.00 34.83           N  
-ATOM    469  N   GLY A  58     -23.571  63.591  -1.328  1.00 29.39           N  
-ATOM    470  CA  GLY A  58     -23.186  64.477  -2.418  1.00 29.32           C  
-ATOM    471  C   GLY A  58     -22.508  63.760  -3.567  1.00 29.21           C  
-ATOM    472  O   GLY A  58     -22.060  62.619  -3.433  1.00 29.17           O  
-ATOM    473  N   LYS A  59     -22.424  64.440  -4.706  1.00 28.97           N  
-ATOM    474  CA  LYS A  59     -21.831  63.842  -5.899  1.00 29.00           C  
-ATOM    475  C   LYS A  59     -20.326  63.624  -5.747  1.00 27.97           C  
-ATOM    476  O   LYS A  59     -19.668  64.272  -4.926  1.00 27.85           O  
-ATOM    477  CB  LYS A  59     -22.154  64.686  -7.139  1.00 29.74           C  
-ATOM    478  CG  LYS A  59     -23.595  64.494  -7.607  1.00 31.85           C  
-ATOM    479  CD  LYS A  59     -24.093  65.641  -8.463  1.00 35.45           C  
-ATOM    480  CE  LYS A  59     -25.613  65.620  -8.517  1.00 36.63           C  
-ATOM    481  NZ  LYS A  59     -26.161  66.686  -9.399  1.00 39.80           N  
-ATOM    482  N   SER A  60     -19.795  62.689  -6.528  1.00 26.85           N  
-ATOM    483  CA  SER A  60     -18.355  62.441  -6.571  1.00 26.01           C  
-ATOM    484  C   SER A  60     -17.619  63.731  -6.935  1.00 25.96           C  
-ATOM    485  O   SER A  60     -18.189  64.609  -7.582  1.00 25.81           O  
-ATOM    486  CB  SER A  60     -18.029  61.364  -7.607  1.00 26.07           C  
-ATOM    487  OG  SER A  60     -18.637  60.129  -7.275  1.00 25.34           O  
-ATOM    488  N   THR A  61     -16.371  63.850  -6.494  1.00 25.67           N  
-ATOM    489  CA  THR A  61     -15.550  65.019  -6.844  1.00 25.74           C  
-ATOM    490  C   THR A  61     -14.392  64.619  -7.737  1.00 25.92           C  
-ATOM    491  O   THR A  61     -13.998  63.444  -7.782  1.00 26.01           O  
-ATOM    492  CB  THR A  61     -14.991  65.716  -5.600  1.00 25.50           C  
-ATOM    493  OG1 THR A  61     -14.234  64.776  -4.824  1.00 25.19           O  
-ATOM    494  CG2 THR A  61     -16.117  66.292  -4.757  1.00 26.41           C  
-ATOM    495  N   LEU A  62     -13.835  65.605  -8.440  1.00 25.61           N  
-ATOM    496  CA  LEU A  62     -12.671  65.368  -9.282  1.00 25.79           C  
-ATOM    497  C   LEU A  62     -11.407  65.943  -8.645  1.00 25.32           C  
-ATOM    498  O   LEU A  62     -11.467  66.940  -7.921  1.00 25.11           O  
-ATOM    499  CB  LEU A  62     -12.883  65.966 -10.677  1.00 25.99           C  
-ATOM    500  CG  LEU A  62     -14.072  65.436 -11.495  1.00 27.57           C  
-ATOM    501  CD1 LEU A  62     -14.089  66.061 -12.873  1.00 30.24           C  
-ATOM    502  CD2 LEU A  62     -14.041  63.916 -11.596  1.00 29.49           C  
-ATOM    503  N   LYS A  63     -10.277  65.295  -8.922  1.00 24.58           N  
-ATOM    504  CA  LYS A  63      -8.958  65.792  -8.513  1.00 24.36           C  
-ATOM    505  C   LYS A  63      -8.629  67.096  -9.238  1.00 23.98           C  
-ATOM    506  O   LYS A  63      -8.795  67.186 -10.455  1.00 24.29           O  
-ATOM    507  CB  LYS A  63      -7.876  64.753  -8.833  1.00 24.26           C  
-ATOM    508  CG  LYS A  63      -8.020  63.454  -8.041  1.00 24.26           C  
-ATOM    509  CD  LYS A  63      -6.899  62.471  -8.380  1.00 24.18           C  
-ATOM    510  CE  LYS A  63      -7.069  61.143  -7.619  1.00 23.95           C  
-ATOM    511  NZ  LYS A  63      -6.260  60.088  -8.318  1.00 24.79           N  
-ATOM    512  N   LYS A  64      -8.141  68.084  -8.489  1.00 23.55           N  
-ATOM    513  CA  LYS A  64      -7.758  69.381  -9.056  1.00 23.78           C  
-ATOM    514  C   LYS A  64      -6.316  69.384  -9.558  1.00 23.48           C  
-ATOM    515  O   LYS A  64      -5.886  70.313 -10.254  1.00 22.54           O  
-ATOM    516  CB  LYS A  64      -7.949  70.495  -8.021  1.00 24.10           C  
-ATOM    517  CG  LYS A  64      -9.334  70.530  -7.397  1.00 26.91           C  
-ATOM    518  CD  LYS A  64      -9.455  71.702  -6.438  1.00 30.45           C  
-ATOM    519  CE  LYS A  64     -10.899  71.934  -6.025  1.00 32.50           C  
-ATOM    520  NZ  LYS A  64     -11.015  73.195  -5.221  1.00 34.92           N  
-ATOM    521  N   LYS A  65      -5.571  68.339  -9.204  1.00 23.71           N  
-ATOM    522  CA  LYS A  65      -4.185  68.191  -9.646  1.00 24.38           C  
-ATOM    523  C   LYS A  65      -3.894  66.712  -9.867  1.00 23.95           C  
-ATOM    524  O   LYS A  65      -4.545  65.856  -9.265  1.00 24.21           O  
-ATOM    525  CB  LYS A  65      -3.217  68.766  -8.602  1.00 25.01           C  
-ATOM    526  CG  LYS A  65      -3.306  68.056  -7.239  1.00 27.68           C  
-ATOM    527  CD  LYS A  65      -2.628  68.861  -6.148  1.00 32.46           C  
-ATOM    528  CE  LYS A  65      -2.891  68.262  -4.775  1.00 34.49           C  
-ATOM    529  NZ  LYS A  65      -2.140  66.998  -4.600  1.00 37.68           N  
-ATOM    530  N   ARG A  66      -2.907  66.424 -10.709  1.00 23.85           N  
-ATOM    531  CA  ARG A  66      -2.560  65.045 -11.070  1.00 24.33           C  
-ATOM    532  C   ARG A  66      -1.050  64.856 -11.121  1.00 24.62           C  
-ATOM    533  O   ARG A  66      -0.313  65.785 -11.462  1.00 23.38           O  
-ATOM    534  CB  ARG A  66      -3.160  64.674 -12.440  1.00 24.22           C  
-ATOM    535  CG  ARG A  66      -4.697  64.595 -12.487  1.00 24.13           C  
-ATOM    536  CD  ARG A  66      -5.261  63.461 -11.606  1.00 24.13           C  
-ATOM    537  NE  ARG A  66      -4.539  62.213 -11.853  1.00 25.27           N  
-ATOM    538  CZ  ARG A  66      -4.733  61.420 -12.904  1.00 25.17           C  
-ATOM    539  NH1 ARG A  66      -5.651  61.711 -13.814  1.00 25.93           N  
-ATOM    540  NH2 ARG A  66      -3.993  60.330 -13.051  1.00 28.17           N  
-ATOM    541  N   THR A  67      -0.598  63.647 -10.789  1.00 25.94           N  
-ATOM    542  CA  THR A  67       0.803  63.284 -10.951  1.00 28.26           C  
-ATOM    543  C   THR A  67       1.038  62.815 -12.385  1.00 29.71           C  
-ATOM    544  O   THR A  67       0.460  61.828 -12.826  1.00 30.62           O  
-ATOM    545  CB  THR A  67       1.217  62.177  -9.943  1.00 28.11           C  
-ATOM    546  OG1 THR A  67       0.859  62.590  -8.619  1.00 27.95           O  
-ATOM    547  CG2 THR A  67       2.715  61.915 -10.007  1.00 29.10           C  
-ATOM    548  N   TRP A  68       1.858  63.555 -13.116  1.00 31.95           N  
-ATOM    549  CA  TRP A  68       2.296  63.148 -14.445  1.00 33.83           C  
-ATOM    550  C   TRP A  68       3.590  62.356 -14.256  1.00 34.26           C  
-ATOM    551  O   TRP A  68       4.408  62.715 -13.410  1.00 35.50           O  
-ATOM    552  CB  TRP A  68       2.515  64.410 -15.283  1.00 34.89           C  
-ATOM    553  CG  TRP A  68       2.991  64.232 -16.706  1.00 36.13           C  
-ATOM    554  CD1 TRP A  68       3.914  64.997 -17.342  1.00 36.63           C  
-ATOM    555  CD2 TRP A  68       2.565  63.244 -17.662  1.00 37.16           C  
-ATOM    556  NE1 TRP A  68       4.093  64.566 -18.628  1.00 36.94           N  
-ATOM    557  CE2 TRP A  68       3.284  63.486 -18.853  1.00 37.88           C  
-ATOM    558  CE3 TRP A  68       1.655  62.181 -17.629  1.00 38.64           C  
-ATOM    559  CZ2 TRP A  68       3.120  62.706 -20.006  1.00 37.29           C  
-ATOM    560  CZ3 TRP A  68       1.497  61.399 -18.784  1.00 37.86           C  
-ATOM    561  CH2 TRP A  68       2.225  61.674 -19.952  1.00 36.62           C  
-ATOM    562  N   HIS A  69       3.786  61.286 -15.018  1.00 34.02           N  
-ATOM    563  CA  HIS A  69       4.972  60.417 -14.860  1.00 33.54           C  
-ATOM    564  C   HIS A  69       4.703  59.348 -13.795  1.00 33.73           C  
-ATOM    565  O   HIS A  69       3.966  59.591 -12.834  1.00 34.26           O  
-ATOM    566  CB  HIS A  69       6.255  61.191 -14.478  1.00 33.00           C  
-ATOM    567  CG  HIS A  69       6.769  62.126 -15.538  1.00 30.75           C  
-ATOM    568  ND1 HIS A  69       6.887  61.771 -16.865  1.00 28.83           N  
-ATOM    569  CD2 HIS A  69       7.247  63.390 -15.447  1.00 29.76           C  
-ATOM    570  CE1 HIS A  69       7.384  62.786 -17.550  1.00 29.45           C  
-ATOM    571  NE2 HIS A  69       7.613  63.781 -16.713  1.00 27.88           N  
-ATOM    573  N   ALA B   1      -9.611  58.339  -5.677  1.00 22.93           N  
-ATOM    574  CA  ALA B   1     -10.463  57.199  -5.228  1.00 23.00           C  
-ATOM    575  C   ALA B   1      -9.643  55.918  -5.205  1.00 23.51           C  
-ATOM    576  O   ALA B   1      -8.654  55.803  -5.929  1.00 24.37           O  
-ATOM    577  CB  ALA B   1     -11.656  57.040  -6.156  1.00 23.38           C  
-ATOM    578  N   ARG B   2     -10.049  54.956  -4.380  1.00 23.54           N  
-ATOM    579  CA  ARG B   2      -9.393  53.651  -4.353  1.00 24.08           C  
-ATOM    580  C   ARG B   2     -10.023  52.789  -5.432  1.00 23.93           C  
-ATOM    581  O   ARG B   2     -11.245  52.797  -5.613  1.00 24.33           O  
-ATOM    582  CB  ARG B   2      -9.553  52.969  -2.992  1.00 23.73           C  
-ATOM    583  CG  ARG B   2      -8.908  53.734  -1.843  1.00 26.56           C  
-ATOM    584  CD  ARG B   2      -9.213  53.045  -0.518  1.00 30.59           C  
-ATOM    585  NE  ARG B   2      -8.387  51.872  -0.274  1.00 32.66           N  
-ATOM    586  CZ  ARG B   2      -8.731  50.850   0.511  1.00 33.84           C  
-ATOM    587  NH1 ARG B   2      -9.917  50.813   1.110  1.00 32.94           N  
-ATOM    588  NH2 ARG B   2      -7.889  49.844   0.680  1.00 35.08           N  
-ATOM    589  N   THR B   3      -9.188  52.047  -6.146  1.00 24.27           N  
-ATOM    590  CA  THR B   3      -9.672  51.243  -7.259  1.00 24.53           C  
-ATOM    591  C   THR B   3      -9.013  49.871  -7.280  1.00 25.11           C  
-ATOM    592  O   THR B   3      -7.968  49.662  -6.654  1.00 25.35           O  
-ATOM    593  CB  THR B   3      -9.354  51.917  -8.609  1.00 24.54           C  
-ATOM    594  OG1 THR B   3      -7.930  52.108  -8.722  1.00 23.51           O  
-ATOM    595  CG2 THR B   3     -10.091  53.260  -8.767  1.00 24.45           C  
-ATOM    608  N   GLN B   5      -7.682  47.581 -10.271  1.00 27.82           N  
-ATOM    609  CA  GLN B   5      -7.340  47.559 -11.696  1.00 30.08           C  
-ATOM    610  C   GLN B   5      -7.550  46.210 -12.348  1.00 30.34           C  
-ATOM    611  O   GLN B   5      -7.630  45.191 -11.664  1.00 31.05           O  
-ATOM    612  CB  GLN B   5      -5.868  47.931 -11.878  1.00 30.55           C  
-ATOM    613  CG  GLN B   5      -5.632  49.323 -12.382  1.00 34.22           C  
-ATOM    614  CD  GLN B   5      -5.836  50.383 -11.324  1.00 36.28           C  
-ATOM    615  OE1 GLN B   5      -6.944  50.591 -10.846  1.00 38.25           O  
-ATOM    616  NE2 GLN B   5      -4.759  51.094 -10.985  1.00 37.72           N  
-ATOM    617  N   THR B   6      -7.610  46.203 -13.678  1.00 31.05           N  
-ATOM    618  CA  THR B   6      -7.629  44.955 -14.433  1.00 31.25           C  
-ATOM    619  C   THR B   6      -6.261  44.678 -15.046  1.00 31.80           C  
-ATOM    620  O   THR B   6      -5.544  45.607 -15.427  1.00 32.59           O  
-ATOM    621  CB  THR B   6      -8.698  44.958 -15.543  1.00 31.31           C  
-ATOM    622  OG1 THR B   6      -8.503  46.083 -16.406  1.00 30.53           O  
-ATOM    623  CG2 THR B   6     -10.071  45.039 -14.947  1.00 31.75           C